From 066c1e05085d8b2efe5c42aa92bdb8c36ffbfdf0 Mon Sep 17 00:00:00 2001 From: LucaDemo Date: Thu, 4 Jun 2015 17:45:53 +0200 Subject: [PATCH 01/25] First commit --- .gitignore | 3 ++- Makefile | 2 +- Makefile.global | 9 ++++++--- 3 files changed, 9 insertions(+), 5 deletions(-) diff --git a/.gitignore b/.gitignore index 691e5f6..1c684a0 100644 --- a/.gitignore +++ b/.gitignore @@ -40,4 +40,5 @@ Lobo/Tests/*.a Lobo/Tests/*.o tools/*.o tools/*.a -tools/Depend \ No newline at end of file +tools/Depend +/Mobi.doxyfile diff --git a/Makefile b/Makefile index c0f7aa4..fc9c349 100644 --- a/Makefile +++ b/Makefile @@ -7,7 +7,7 @@ # Path to project directory. UPDIR = . # Path to subdirectories. -SUBDIRS = tools Energy/Sources Biopool/Sources Align2/Sources Energy/Sources/TorsionPotential Lobo/Sources Lobo/APPS Energy/APPS Biopool/APPS Align2/APPS +SUBDIRS = tools Energy/Sources Biopool/Sources Align2/Sources Energy/Sources/TorsionPotential Lobo/Sources Lobo/APPS Energy/APPS Biopool/APPS Align2/APPS Mobi/Sources Mobi/APPS # # Libraries and paths (which are not defined globally). diff --git a/Makefile.global b/Makefile.global index 1f78a89..75c5acd 100644 --- a/Makefile.global +++ b/Makefile.global @@ -106,11 +106,13 @@ SUBDIRS += _dummy_ LIB_PATH += -L$(UPDIR)/lib -INC_PATH += -I$(UPDIR)/tools -I$(UPDIR)/Energy/Sources -I$(UPDIR)/Biopool/Sources -I$(UPDIR)/Energy/Sources/TorsionPotential -I$(UPDIR)/Lobo/Sources -I$(UPDIR)/Align2/Sources -I$(UPDIR)/Biopool/APPS -I$(UPDIR)/Energy/APPS -I$(UPDIR)/Align2/APPS -I$(UPDIR)/Lobo/APPS +### MODIFIED BY MOBI - ***LUCA DEMO*** +INC_PATH += -I$(UPDIR)/tools -I$(UPDIR)/Energy/Sources -I$(UPDIR)/Biopool/Sources -I$(UPDIR)/Energy/Sources/TorsionPotential -I$(UPDIR)/Lobo/Sources -I$(UPDIR)/Align2/Sources -I$(UPDIR)/Mobi/Sources -I$(UPDIR)/Biopool/APPS -I$(UPDIR)/Energy/APPS -I$(UPDIR)/Align2/APPS -I$(UPDIR)/Lobo/APPS -I$(UPDIR)/Mobi/APPS +### MODIFIED BY MOBI - ***LUCA DEMO*** ifdef test - INC_PATH += -I$(UPDIR)/Biopool/Tests -I$(UPDIR)/Energy/Tests -I$(UPDIR)/Align2/Tests -I$(UPDIR)/Lobo/Tests - SUBDIRS = Biopool/Tests Energy/Tests Align2/Tests Lobo/Tests + INC_PATH += -I$(UPDIR)/Biopool/Tests -I$(UPDIR)/Energy/Tests -I$(UPDIR)/Align2/Tests -I$(UPDIR)/Lobo/Tests -I$(UPDIR)/Mobi/Tests + SUBDIRS = Biopool/Tests Energy/Tests Align2/Tests Lobo/Tests Mobi/Tests endif ####### Implicit rules @@ -175,6 +177,7 @@ subclean: $(RM) -fr ./Energy/data $(RM) -fr ./Lobo/data $(RM) -fr ./Biopool/data + $(RM) -fr ./Mobi/data From 77f7504bb7ff7c8ba53793055426671c8cd9ea93 Mon Sep 17 00:00:00 2001 From: LucaDemo Date: Thu, 4 Jun 2015 17:50:32 +0200 Subject: [PATCH 02/25] First commit --- Mobi/APPS/Makefile | 54 ++++++++++++++ Mobi/APPS/Mobi.cc | 133 +++++++++++++++++++++++++++++++++++ Mobi/APPS/Mobi.o | Bin 0 -> 45304 bytes Mobi/Sources/Makefile | 62 ++++++++++++++++ Mobi/Sources/ProteinModel.cc | 101 ++++++++++++++++++++++++++ Mobi/Sources/ProteinModel.h | 53 ++++++++++++++ Mobi/Sources/ProteinModel.o | Bin 0 -> 10896 bytes Mobi/Sources/TMScoreBin.cc | 33 +++++++++ Mobi/Sources/TMScoreBin.h | 46 ++++++++++++ Mobi/Sources/TMScoreBin.o | Bin 0 -> 12256 bytes Mobi/Sources/TMScoreBinder.h | 38 ++++++++++ 11 files changed, 520 insertions(+) create mode 100644 Mobi/APPS/Makefile create mode 100644 Mobi/APPS/Mobi.cc create mode 100644 Mobi/APPS/Mobi.o create mode 100644 Mobi/Sources/Makefile create mode 100644 Mobi/Sources/ProteinModel.cc create mode 100644 Mobi/Sources/ProteinModel.h create mode 100644 Mobi/Sources/ProteinModel.o create mode 100644 Mobi/Sources/TMScoreBin.cc create mode 100644 Mobi/Sources/TMScoreBin.h create mode 100644 Mobi/Sources/TMScoreBin.o create mode 100644 Mobi/Sources/TMScoreBinder.h diff --git a/Mobi/APPS/Makefile b/Mobi/APPS/Makefile new file mode 100644 index 0000000..b8aa7af --- /dev/null +++ b/Mobi/APPS/Makefile @@ -0,0 +1,54 @@ +#--*- makefile -*-------------------------------------------------------------- +# +# Standard makefile +# +#------------------------------------------------------------------------------ + +# Path to project directory. +UPDIR = ../.. +# Path to subdirectories. +SUBDIR= +# Path to directory for binaries: +BINPATH = ../../bin + + +# +# Libraries and paths (which are not defined globally). +# + +LIBS = -lMobi -lBiopool -ltools + +LIB_PATH = -L. + +INC_PATH = -I. -I../../tools/ -I../../Biopool/Sources -I../../Mobi/Sources + +# +# Objects and headers +# + +SOURCES = Mobi.cc + +OBJECTS = Mobi.o + +TARGETS = Mobi + +EXECS = Mobi + +LIBRARY = APPSlibMobi.a + +# +# Install rule +# + +compile: all + +all: install +install: $(LIBRARY) $(TARGETS) + mv $(EXECS) $(UPDIR)/bin/ + mv $(LIBRARY) $(UPDIR)/lib/ + +# +# Call global Makefile to do the job. +# + +include ../../Makefile.global diff --git a/Mobi/APPS/Mobi.cc b/Mobi/APPS/Mobi.cc new file mode 100644 index 0000000..f35661b --- /dev/null +++ b/Mobi/APPS/Mobi.cc @@ -0,0 +1,133 @@ +/* This file is part of Victor. + + Victor is free software: you can redistribute it and/or modify + it under the terms of the GNU General Public License as published by + the Free Software Foundation, either version 3 of the License, or + (at your option) any later version. + + Victor is distributed in the hope that it will be useful, + but WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the + GNU General Public License for more details. + + You should have received a copy of the GNU General Public License + along with Victor. If not, see . + + This file is part of Mobi extension created by + Luca Demo - University of Padova, department of Science + */ +/** + */ +#include +#include +#include +#include +#include +#include +#include + +using namespace Victor; +using namespace Victor::Biopool; +using namespace Victor::Mobi; + +void sShowHelp() { + cout << "Help message goes here...\n\n"; +} + +int main(int argc, char* argv[]) { + + //If -h specified, show help message + if (getArg("h", argc, argv)) { + sShowHelp(); + return 1; + } + + string inputFile, outputFile, chainID; + unsigned int modelNum; + bool chi, all; + + getArg("i", inputFile, argc, argv, "!"); + getArg("o", outputFile, argc, argv, "!"); + getArg("c", chainID, argc, argv, "!"); + getArg("m", modelNum, argc, argv, 999); + all = getArg("-all", argc, argv); + chi = getArg("-chi", argc, argv); + + // Check input file + if (inputFile == "!") { + cout << "Missing input file specification. Aborting. (-h for help)" << endl; + return -1; + } + ifstream inFile(inputFile.c_str()); + if (!inFile) + ERROR("Input file not found.", exception); + + PdbLoader pl(inFile); + vector model; + + // Set PdbLoader variables + + if (!getArg("v", argc, argv)) { + pl.setNoVerbose(); + } + // Check chain args + if ((chainID != "!") && all) { + ERROR("You can use --all or -c, not both", error); + } + // User selected chain + if (chainID != "!") { + if (chainID.size() > 1) + ERROR("You can choose only 1 chain", error); + pl.setChain(chainID[0]); + }// All chains + else if (all) { + pl.setAllChains(); + }// First chain + else { + pl.setChain(pl.getAllChains()[0]); + } + + + // Load the protein object + + // Open the proper output stream (file or stdout) + std::ofstream fout; + + + ProteinModel prot1; + PdbSaver ps(cout); + //ps.saveProtein(prot1); + prot1.load(pl); + cout << "sizeProtein = " << prot1.sizeProtein() << endl; + + /* + for (unsigned int i = 1; i < 5; i++){ + std::ostringstream ss; + ss << "pdbout" << i << ".pdb"; + fout.open(ss.str().c_str()); + ps.saveSpacer(prot1.getModel(i)); + ps.endFile(); + fout.close(); + } + */ + TMScoreBin tm("./TMScore","."); + Spacer* sss; + tm.tms(prot1.getModel(1), prot1.getModel(2), sss); + + + + + + /* + ProteinModel prot2; + fout.open("pdbout2.pdb"); + //pl.setModel(2); + prot2.load(pl); + //prot2.load(pl); + cout << "sizeProtein = " << prot2.sizeProtein() << endl; + ps.saveSpacer(prot2.getModel(0)); + ps.endFile(); + fout.close(); + */ + return 0; +} diff --git a/Mobi/APPS/Mobi.o b/Mobi/APPS/Mobi.o new file mode 100644 index 0000000000000000000000000000000000000000..1fbd0ed5d923d5c0f014768a18325c9aed19763b GIT binary patch literal 45304 zcmeHw4SZD9nfDDtFjYvRVx{WJh!L?$oPqFJKN3h}q5)C@iYN}lWFVu-%)B!b4C<~x z0ulp?^}BTyU8}aWEo;%T)+!c6wB3sCwx!jr*bg<;T72DYX>FT*o^zjP=9x3+Bs2E6 z^1eU!{J3+@`Jd$?oNSI!$Jtn&P1mYqt#gZWlcJph zdE}W&@idC3Q#^y>nG}DH;&UiIm*Vp&uBEt+;#m~WrnsKs28u7Bcn-w@iW@1ukm4qa 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+#------------------------------------------------------------------------------ + +# Path to project directory. +UPDIR = ../.. +# Path to subdirectories. +SUBDIR = ../../tools +# Path to directory for binaries: +BINPATH = ../../bin + + +# +# Libraries and paths (which are not defined globally). +# + +LIBS = -lBiopool -ltools + +LIB_PATH = -L. + +INC_PATH = -I. -I../../tools -I../../Biopool/Sources + +# +# Objects and headers +# + + +SOURCES = ProteinModel.cc TMScoreBin.cc + + +OBJECTS = ProteinModel.o TMScoreBin.o + + +TARGETS = + +EXECS = + +LIBRARY = libMobi.a + +# +# Install rule +# + +#start: subdirs + +compile: all + +allinstall: $(LIBRARY) $(TARGETS) + mv $(LIBRARY) $(UPDIR)/lib/ + + +install: subinstall allinstall + +all: install +# +# Call global Makefile to do the job. +# + +include ../../Makefile.global + diff --git a/Mobi/Sources/ProteinModel.cc b/Mobi/Sources/ProteinModel.cc new file mode 100644 index 0000000..70a7d5f --- /dev/null +++ b/Mobi/Sources/ProteinModel.cc @@ -0,0 +1,101 @@ +/* This file is part of Victor + + Victor is free software: you can redistribute it and/or modify + it under the terms of the GNU General Public License as published by + the Free Software Foundation, either version 3 of the License, or + (at your option) any later version. + + Victor is distributed in the hope that it will be useful, + but WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the + GNU General Public License for more details. + + You should have received a copy of the GNU General Public License + along with Victor. If not, see . + */ + +/** + * @file ProteinModel.cc + * @author Luca Demo + * @date May 2015 + * @version 0.1 + */ +#include +#include + +using namespace Victor; +using namespace Victor::Mobi; +using namespace Victor::Biopool; + +/** + * Load Pdb data into Protein object with the specified model + * @param pl (PdbLoader&) reference to the PdbLoader to load from + * @param chain (char) name of the chain to load, * = first chain (default) + * @param model (unsigned int) model to load, 0 = all models (default) + */ +void ProteinModel::load(PdbLoader& pl, char chain, unsigned int model){ + if (chain != '*') + pl.setChain(chain); + else + pl.setChain(pl.getAllChains()[0]); + pl.checkAndSetChain(); + if (model > 0){ //load a single model (the specified one) + pl.setModel(model); + pl.checkModel(); + this->Protein::load(pl); + }else //load all models + for (unsigned int i = 0; i < pl.getMaxModels(); i++){ + pl.setModel(i); + pl.checkModel(); + this->Protein::load(pl); + } +} + +/** + * Get the Spacer object representing the model of this Protein + * @param model (unsigned int) the model to get + * @return (Spacer&) the model + */ +Spacer& ProteinModel::getModel(unsigned int model){ + return *(this->getSpacer(model)); +} + +/** + * Get Scale Distance between this model and the one in the specified ProteinModel + * @param ref (ProteinModel&) the model to compare + * @param atoms (vector&) names of the atoms to consider + * @param d0 (double) normalization parameter, 4 is default + */ +void ProteinModel::SD(vector& sd, ProteinModel& ref, AtomCode atom, double d0){ + ProteinModel::SD(sd, ref.getModel(0), atom, d0); +} + +/** + * Get Scale Distance between this model and the one specified + * @param ref (Spacer&) the model to compare + * @param atoms (vector&) names of the atoms to consider + * @param d0 (double) normalization parameter, 4 is default + */ +void ProteinModel::SD(vector& sd, Spacer& ref, AtomCode atom, double d0){ + Spacer& model = this->getModel(0); + sd.clear(); + if (ref.size() != model.size()) + ERROR("Reference protein spacer has a different number of Amino",exception); + + for (unsigned int i = 0; i < ref.size(); i++){ //foreach Amino + if (ref.getAmino(i).getType() != model.getAmino(i).getType()) + ERROR("Reference protein Aminos are not compatible",exception); + Atom mAtom = model.getAmino(i).getAtom((unsigned int)atom); + Atom refAtom = ref.getAmino(i).getAtom((unsigned int)atom); + + double dist; + dist = sqrt(pow(mAtom.getCoords().x - refAtom.getCoords().x,2.0) + + pow(mAtom.getCoords().y - refAtom.getCoords().y,2.0) + + pow(mAtom.getCoords().z - refAtom.getCoords().z,2.0) + ); + sd.insert(sd.end(), dist); + + } +} + + diff --git a/Mobi/Sources/ProteinModel.h b/Mobi/Sources/ProteinModel.h new file mode 100644 index 0000000..25724f9 --- /dev/null +++ b/Mobi/Sources/ProteinModel.h @@ -0,0 +1,53 @@ +/* This file is part of Victor + + Victor is free software: you can redistribute it and/or modify + it under the terms of the GNU General Public License as published by + the Free Software Foundation, either version 3 of the License, or + (at your option) any later version. + + Victor is distributed in the hope that it will be useful, + but WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the + GNU General Public License for more details. + + You should have received a copy of the GNU General Public License + along with Victor. If not, see . + */ + +/** + * @file PreteinModel.h + * @author Luca Demo + * @date May 2015 + * @version 0.1 + */ +#ifndef MOBI_SOURCES_PROTEINMODEL_ +#define MOBI_SOURCES_PROTEINMODEL_ + +#include +#include +#include + +using namespace Victor::Biopool; +//using namespace Victor::Mobi; + +namespace Victor { namespace Mobi { + /** + * @brief Extends Protein class with functionalities related to manipulation of NMR model and models comparations. + * Scale Distance metric is provided. + */ + class ProteinModel : public Protein{ + public: + ProteinModel() : Protein(){}; + ProteinModel(const Protein& _orig) : Protein(_orig){}; + + + void load(PdbLoader& pl, char chain = '*', unsigned int model = 0); + Spacer& getModel(unsigned int _model); + void SD(vector& sd, ProteinModel& ref, AtomCode atom, double d0 = 4); + void SD(vector& sd, Spacer& ref, AtomCode atom, double d0 = 4); + + }; +}} + + +#endif /* MOBI_SOURCES_PROTEINMODEL_ */ diff --git a/Mobi/Sources/ProteinModel.o b/Mobi/Sources/ProteinModel.o new file mode 100644 index 0000000000000000000000000000000000000000..d1759741e0cf2708b35e6a733481c946db625986 GIT binary patch literal 10896 zcmb_h3vgT2nZC9hqC6@oKwCpuasidbBxo(i33kGCEZa)1VmY{xL)sL2D@)h0HnOCV zt`mi_(@@(XcNK$YDJ?V0?qp|Y+v%H5chi#6kkm=m6*LJ&6c?7a0c!9=XH-h8;x&iY-msfH7FldYBhl>O0%z4?qbC*z$p};|b0B4{iKq_264Kn0pW3dZlJPcb3>DUoo$LsdG5wUp>L3ti4yE zY5YtBYt<^Axb-^#a|2yMqVr7g*V_1L^^>-tu%l>7RUk2|9YxKk*TdqV#7jke=`})egjU z`n*37Cq=!%R&DCeVC#ARZAXF!(K75`^VE6&C-AHq40`7V$`eqq4_;`MiJ%GwNd80c z0kSmp2nSY~!2su62TpL@77Q%V{b2C0t@~f08_%kAu$fD|hz3dbBf+B!b>BI!`vKc} zZ!i$6m_cuBGt9#8iQqJA_{7Qc{*NO%?6>*6|6{1H>J6&?2|u|%dBJP~aEUhlBX7)t zyzrlemjz*bMx>v`mj{+2+BxGNe*spkXXDm6Tc8rqtRD#-b2|dovzns`VFezi7{@Di ztimT_m4UOd&AZO}Cq4#!v8nP|?XEfWSn*H(B?CTN1Fl5gDEwbrU^#AG&^!PJdBQFtnUhFlRxoKgwgmgOwGOK zKegQY>Eti`_sk(XBEQv}VdS_U5+_LPQTkzi90!vVJF#ma3sftbHNzw|>oHr7K#tfe z*YU+jvy%twmsaUIt5v@4d5x4#zT%%a0S^xTd57YkXhX?=EZXBg@tRoN=FP2TKAc(L zgI0+m-lXoqCAPX}{1bUn_Zd?6V~F^V_1Nn8*LjHknq~01wf$bJ__dZFv(1`z=riz3n`&3I z&e!~h9!Di+y&QY&%q+4VYx!C1)H^tjoYO4q$abzP>oFX)3hFUzLM?A38Hk_P{_RIj>F5ZJ!E~cEwx~w_c1}Z*m2F-dm=6ulGj7ztvi*+NuBaV0kmIh))H{ zIxVB<7X%o0%sQ!6HupE2hB|WzgZdlZh+FI9R>~W<_6DjSfTL`^#^ELM11~gix2wH0 zbsohJ(Q2*pUH{!GO4L7`XsB=h)jg1Zg&JU}R(M&Ec>@JpP z&5$h`YA$c8sr+amX=aA9hB7zTu<0rs(Z1MVHN3JydAo7Ry(^W&o=uAKnCG&utW>_# zbcLdvZn_HS@0;#x1j{o^pT&{jFIK*ZMKFO~b!$)0CUwoup|PAfrnZMVLTxvOJI7cx z++qXVvCH|p;f@_jLpjj!p_NO$bZjF0D&F>fdPjVLgwLyVq1aA!(1Y~T?F$@f?DaJt z^7Q!B@usc5uEuT4eQLzl42f=^H?rcBa|P#~RXmPh+>Q zdCJr6Q;#%7d}|IZ>GidaUqTk3vK2_gr-B2Vu+z7K`TQi;aXr0zeSzEIv*<^|9RqRJ z%cTgGqIg7K2T%zT0$Qto^0}z zJj;C@5#|YeocAPxE-LHr+(!KXbme zqLEF8OrvZnp>)zrDxslLNeRuPp|M;xv)9NTkTHGt_Jp}{pOG^2#aKF#jHRQ|@Or&p z&*Vx*(bSV;<>>ZKUEh-%(^KVg_$FP?<%^@qte!EAVv?i=(uuGhjqd16%Zf{8vS^MK zIF!j{psQF+lJPuwNB)OH;f2)>CA24%(v5P;D406Bhf&V?l@Lb$sF6eGFb#~**6llQ zgpJf*ZowGQhl|Nk@b4++VfX)uu0?KE)zQ_(F{6`(~LQcTvUF6$n@di2L>Xd&AJcP9pvqT%X{D&osib7tzJt&B> z%(|P)%a|-L@MbRW?Ej~^JYB2EB;qHq%g|mg|KH>J{}pGX{L@)L$cy~b+UblDiJYau z0%~#CcT`#5oxYRY$N7QeC_fmGJz7hg_Ll*xXMYw)Bcd&ig~@5(=34wqd`-&h_Tkde z>|rah14PwRH5@Jprqva>DlLoWQ^b;0S@vYvjrYOIIf?1J|ICx4ETb09I2 zvM&7h0l!unCu0A5!G*u-f}eB2>Bt;Fo0Bdl+zFz-&IRuTPW^g_%g}k7sN%wZ)CGUU z1%JT>_h7NB=jU}U_zf<2y9@p~7yPeW@GraI|LB4rcftR~1%Jy0UxtBHFAmqZ;9V|w z*#-ZO3w{nb<^3ejcNfb#{&&DSt@84Mm-9ni-<>eCrC7oYhf^cTqHY$G8M72i;R6NO z`k`bglhX6}_%M>AvDBa*O>EEy`ck0+K376*ioP{|OLru$>!q?R@F5i#?lJ-C=iN5gHpzGdh3p265H+jSil@G;kEcQKPkr|U#vLn><| zi&3<+>9Kr?9y4hgB>R8qsSsWqiSWkMh>_YG$)yv9*)x*NaQBkE=XaoN#_n+XLGOpO-6mN46K6IW!V@J3y%0{p6@?rf>EW(?|s ztyncSV%12j*Ry0kk?)+pF^OeqrO6N4voXKEFlI(mHq(aT>{w|8*%Arh9SgTYI&EN0 z${!$~lUS`tqAy`?NSOx;2I_18?a!o*9Nf*Al=7Xq{h3@EktvPg+Jm}Boiay?`TZCj zX+4!JnQU|~Fq0`2@+Ctub5YABGuLilxc$*#W1@B_E=Kl`AGH_*wIvgyw15y9h|gZ* zfSy7Li(l;yla4O*ErWku7~wLN5#jWWA@J=s%ua&zDIxG-377dNB>YN=|2_$)yB?v3 z-J+vTcK<}e>Hl#edVK_s;O}(7Z1?{aK0g7!ftg{7pEY5D~r>kI>U1;dJjN@IH>y7tdxqg6P~uL^%KSWc9lxd>upV zpCgj~8vzOZUy%4ok2oXI`HhJ5%X*Hw==rJ(|FLR;*8j8%{+xu<-KL1cZ#nK9 zx0mw!35pxtfeHTWBz(PuZ+5|Nb-~LLF6;k_gv;y9cUsIxO+a zdZr~@)^oq4hx`}w@vkL*Sfl7iJbi6p45rojC&-(FP|Uya>CY6z9cg~ znm>;new|>(Tga0BAReJ#u#mgrj+QW$en7-8e5N|( zl!$P81l`FC0zb;@(-O{8#E^fIaM|vg9H;(X&&%{$DaDg)JjC1H&vD`xv7)9=JNU)D G#eV}gk~_Kp literal 0 HcmV?d00001 diff --git a/Mobi/Sources/TMScoreBin.cc b/Mobi/Sources/TMScoreBin.cc new file mode 100644 index 0000000..f49ed5a --- /dev/null +++ b/Mobi/Sources/TMScoreBin.cc @@ -0,0 +1,33 @@ +/* + * TMScoreBin.cc + * + * Created on: 01/giu/2015 + * Author: luca + */ + +#include +#include + +using namespace Victor::Mobi; +using namespace Victor::Biopool; + +double TMScoreBin::tms(Spacer& model, Spacer& native, Spacer* imposedModel){ + + //Save spacers in pdb files + std::ofstream fout; + PdbSaver ps(fout); + fout.open("pdb_mod.tmp"); + ps.saveSpacer(model); + ps.endFile(); + fout.close(); + fout.open("pdb_nat.tmp"); + ps.saveSpacer(native); + ps.endFile(); + fout.close(); + + //Call TMScore binary + return 0; + +} + + diff --git a/Mobi/Sources/TMScoreBin.h b/Mobi/Sources/TMScoreBin.h new file mode 100644 index 0000000..25c5473 --- /dev/null +++ b/Mobi/Sources/TMScoreBin.h @@ -0,0 +1,46 @@ +/* + * TMScoreBin.h + * + * Created on: 01/giu/2015 + * Author: luca + */ + +#ifndef MOBI_SOURCES_TMSCOREBIN_H_ +#define MOBI_SOURCES_TMSCOREBIN_H_ + +#include +#include + +using namespace Victor::Biopool; +using namespace Victor::Mobi; + + +namespace Victor { namespace Mobi { + /** + * @brief TMScore functionalities through external binary. + */ + class TMScoreBin : public TMScoreBinder{ + public: + + /** + * @brief Setup. + * @param _binary (string) full path to binary TMScore file, must have execution permission + * @param _tmp (string) full path to temp dir, must have write permission + */ + TMScoreBin(std::string _binary, std::string _tmp) : binary(_binary), tmp(_tmp){}; + + double tms(Spacer& model, Spacer& native, Spacer* imposedModel); + ~TMScoreBin(){ + + }; + + private: + std::string binary; + std::string tmp; + }; + +}} + + + +#endif /* MOBI_SOURCES_TMSCOREBIN_H_ */ diff --git a/Mobi/Sources/TMScoreBin.o b/Mobi/Sources/TMScoreBin.o new file mode 100644 index 0000000000000000000000000000000000000000..875370148788a28aacdce4ad94b30d15162218c1 GIT binary patch literal 12256 zcmcgyZ){uD6~E3)8Uw`%47P5C)$PIvf*Lzb(v&iYlbATvl&nq)WM!`}j?-8;wq?JR z6t+=lTH$3~i^PXcY!dr0jj>7V__B$AD}uJtrU4(=*RemKg#la9L^mWvcFukG*vHTB zHV%_G()B&}ch8^u=iK|=yVnoJ61O$^e1ga)ZV}ZIp+Xccsq+1j?H66*Mk#walu_pj zm0zjy&#U|kDqpAaFRJ`YDqpYit5p6~m3ONAI>?ElyGP3BqvIpxKSsyKlktb&>u(Yw zesoVqcq+cwd=09^%L^TSfJRQmk3RQb0G3cWzPK5)GYcJlr~{!l6N}d%5pk(4#Qy@YtX!jWIc_#opui7#h6!in;=j_;!n`r~JZI>Km``%|?ge@#n4 z`dJix(GhR%ka>AehyTn_N4pPxF2kS8eP9yDTtJRvi#d*=fXZOdv3>Xy^fbN*zS|c1 zp_g%EekpQZ)+Ng4ee)@T8EP_U4SbXLGU2! z66Jq3ZvSKOjrQYbRd>CH3&*ezJ4g*I5Yz9fT8u5JA&ol|G1VNdANWNlP^RKroXDAO zyX#cj;iK4;hhM?K`o_J{J<)rk-+XzxZNmaOmgBd0fAG+&&C>Ndzy4%-xoty#rT^G_ zUjLsJ>YrMnehKQGPL@yOOse5g(7&kv{*m%&$tTK7@x}2a+3R@ubfP?UMVLl{1-e_m zK>9ETpK2@;OU^T{Eac)2h&Y0l=SLiTJy#C8r{ED*?9wgi@!eYc+UwLIM_UiG#7q*eUM*Yfxp z@pRMAd>^%lBh4*utP#hWTb^tcXPaAu_-;!Y;A3lmeGPw}XoVja#Sgvb|1DzD{jOT(qN;_b3PlMbK2?;T|l|rtzTZs)} zB@oB%cAy$8>wz8gz#jL&p7Ow+_rP9P*jkli|K3tOJ|9Ii(4GwVD}D1lFq)7(Z#A&i zp#I09(18fhGf>rx%s`<1`%SUHx}!!c5d26-T9Iuf2+!eSey$MPwKEwudmMfRt;iNsOJ=6hgELkp z=csP0mK#!!&SrA?Xeu+M)T`x{)Wgzy!AilxlCADdI)#Q56PbNhPC4yWg_RU#e;wIm z+Exv&mRC}bV1q}Cc{@#mwUtUMsdl64&bd@Jows4U9oLaCLmG;NFh)W(V&-z$%zf$X z0l@MYQW$iRP(+0GrBY^kK9w%mCIn$N&6P^FRkY^{3d-a%wrLfM78=0-RhG<&u@UcZ zj8(jWOj0jXYizexFqNO3P3K@yk~S>Y?Ae3jO0A`pH%3pYYHhUxogY9{M+U z=m!DAN8lProKC6&K4Uqx^8)brtx7S;tM0zmDg9YhhM^dMMDc*nUL^Xqb-59fUPeJ) zJ+7rL{$QWbrcU22?=It<%KpgjnNtq&|h{eVHcQz5cd?o^nMZG9Oj(hjE95IX?f~@i#;M zQHar6DW&m$&?El842o|5_bdPSY~i#~`M;Wjz>|N}%g<~4_bdO{ZzRldEU7=V|Glm8|GM%| za%cm|?LPnm=hc3CpzW1f)t_LMmE1+3?=^n~)qcMUG;BYfySm%orTkMr$^2dwP}dNk za*A8Zw<~>@m^kbXNS8jzk5c~$Q2C=u{~$S1IJKX|cWC-Qk1xAG^nHx|!yzGkniqWc z1`~DUSAv$S($ySi?&`FKIERPiK<&y7K4-6o|qZx-sw5NZ%zRYv8l zq_)BkcoR`ihQOPNdNSnOpBGLiRJC=6z$ZX0wL!6o;k<_iO=7JI%=bnY;uHq zgklrJaSuZJ0VE&$a^!JgR8E+rXywOnPKhdIVhqtqY)x*+9is-41w+2Idf{r*VO38_ zp0}=AX~-2(EfZ&GqTHyQ`jMoQ8{R7jP_La4*PGg$Ys~=ey=fW3wFs4-QCZEkh75tL zx}FSiaXko#A=qUclQ4w)?a8S$#HCEiVNXN0iLFQ4XZ{NKMmCRo9dYrAMt(g^)uzhn zZT0MRhs3MVO^@3JiC5Pz;V($Mx_${iCvn<+tMU1_-5FYFK7ECeMe>h_pdNw>9{BSSntAGaCE}4Sq(0|3!lbU@3a}-Jrp{H29zfFKY0IHTW+z_*uj$_*5)n z1~)~X?SD^$e+2kOwm(zfuY|3KcxGN~2Ye&jw<{}Z?2cqAUrY~Va-md8m=j4mTN+8) zkw|LBDw=lD%GjlmR4ld&uq~5TDU&kua9W$TW=B$EW-Qrbj_yc>3UD+F=eOo?;?99+ z!Zb^Bljew7y%^}eBR`pmgsaZB*s~=(Og8DFiq6oJ-R5X=iz!=@=rhes9#49q=zR`5 z)B`8W+Dg2DfWuzx8Ln0_asjKlI}4q$6>lpptXRF5karE+s%34zBl;T(tuLwKc{ia| zS?N|nt9YUN2(3~BHxWABA-sMtC#JHaGFFoIHYboXc?fNfSnq-B4yzc0nl5uBU&3Tt zcAAa%r-)~B-~7B;NEb`_oR!Vk2h9CpG?=vepcy7KC_SjcbqpMLtEDzgYt5sXpgy*H z#m+cRR_JjzF0$AtIO%a5J8mcEreT00W=y$iv{}$A+AO9s*|cM(eoq;6mRbG!>>Hh$ zOv1$zTwKc`YQ$J~zL3tvU^7DBa@y_$0Iu%&ywPq`ad5$<0+xDB+V0Fuu9Pm?o&n>r zIgXiQVb~sfVS9w_EZcZLAo%j7wA#2D8%Jfl%fv8(4I0NB_Us`VUa;aZt@ZQa*y+vY zQ&u*uw0VHa3tiaU@tVs_&D>{BTN&zEBLVA}9M9dK$xWHN(xo}L9&31hJ=)Vf0#WM( zkvUb$n=^2+3U`LJt4azv%4TZbGGQUl%Lj`7o=`qAB4HEc=dH=i{zzmi@L8)=GVKF} zG(^I59wSqKizs^3!xta*+aY}n|A;}lnc>L8Ym_AXZbL$O#OXbB0zn{r;x z+Ic;^zaydj0Z3$jnBjd4-^K7jhFc0JzcfD6On!*T=NTSj_z{;K>cb+F=k5F{!+ATO zVK{H+OD_A=&NED&xAQfI^LD$)ej1o%|vGbrObrlj70-E=Xiw!SbZ(b5vkCF26BIv@WQ> zh>tTlj^q6}5$U1)W&$B!r+CEi?v^O17{t}lwM04@exu?s3p1Q}gmBD}&`v~h&QHJM z5$AVRafajn8;C{~gYx*l1){qZgE&1C5eniD5RNm=HI_*iarnfo5cx$MK4mMkM{$VL z*dkP5I6qxmU^vARLMIrGYl-L=ib4Bp355KV;t{`8@tD1#c*FyW$81UQh*QiXbO{a& d5Vqwe$vHnkg`+$sqU)GE-mep7nLLlr{{i`%`Un63 literal 0 HcmV?d00001 diff --git a/Mobi/Sources/TMScoreBinder.h b/Mobi/Sources/TMScoreBinder.h new file mode 100644 index 0000000..b4260bd --- /dev/null +++ b/Mobi/Sources/TMScoreBinder.h @@ -0,0 +1,38 @@ +/* + * TMScoreBinder.h + * + * Created on: 01/giu/2015 + * Author: luca + */ + +#ifndef MOBI_SOURCES_TMSCOREBINDER_H_ +#define MOBI_SOURCES_TMSCOREBINDER_H_ + +#include +#include + +using namespace Victor::Biopool; + +namespace Victor { namespace Mobi { + /** + * @brief base class that represent a binder to TMScore functionalities. + */ + class TMScoreBinder{ + public: + /** + * @brief Calculates TMScore with given models + * @param prot (ProteinModel&) protein object + * @param model (unsigned int) model name (the one to be super-imposed) + * @param native (unsigned int) native model name (the one on which we super-impose) + * @newMode (Spacer*) target model aligned to reference + * @return TMScore of the two models + */ + virtual double tms (ProteinModel& prot, unsigned int model, unsigned int native, Spacer& imposedModel){return 0;}; + virtual ~TMScoreBinder(){}; + }; + +}} + + + +#endif /* MOBI_SOURCES_TMSCOREBINDER_H_ */ From 18ae16d020e7461cdc02d37a08c373475d9b6d40 Mon Sep 17 00:00:00 2001 From: LucaDemo Date: Fri, 5 Jun 2015 16:42:52 +0200 Subject: [PATCH 03/25] Update --- Mobi/APPS/Mobi.cc | 6 ++--- Mobi/Sources/TMScoreBin.cc | 48 +++++++++++++++++++++++++++++++----- Mobi/Sources/TMScoreBin.h | 13 +++++++--- Mobi/Sources/TMScoreBinder.h | 13 ++++++---- 4 files changed, 62 insertions(+), 18 deletions(-) diff --git a/Mobi/APPS/Mobi.cc b/Mobi/APPS/Mobi.cc index f35661b..4cc6e54 100644 --- a/Mobi/APPS/Mobi.cc +++ b/Mobi/APPS/Mobi.cc @@ -110,9 +110,9 @@ int main(int argc, char* argv[]) { fout.close(); } */ - TMScoreBin tm("./TMScore","."); - Spacer* sss; - tm.tms(prot1.getModel(1), prot1.getModel(2), sss); + TMScoreBin tm("TMScore","."); + Spacer sss; + tm.tms(prot1, 1, 2, sss); diff --git a/Mobi/Sources/TMScoreBin.cc b/Mobi/Sources/TMScoreBin.cc index f49ed5a..030af18 100644 --- a/Mobi/Sources/TMScoreBin.cc +++ b/Mobi/Sources/TMScoreBin.cc @@ -7,27 +7,63 @@ #include #include +#include +#include +#include +#include +//#include using namespace Victor::Mobi; using namespace Victor::Biopool; +//using namespace std; -double TMScoreBin::tms(Spacer& model, Spacer& native, Spacer* imposedModel){ +//char* TMTMP_IN1 = "tmin1.pdb.tmp"; +//char* TMTMP_IN2 = "tmin2.pdb.tmp"; +//char* TMTMP_OUT = "tmout.pdb.tmp"; + +double TMScoreBin::tms(ProteinModel& prot, unsigned int model, unsigned int native, Spacer& imposedModel){ //Save spacers in pdb files std::ofstream fout; PdbSaver ps(fout); - fout.open("pdb_mod.tmp"); - ps.saveSpacer(model); + fout.open(""); + ps.saveSpacer(prot.getModel(model)); ps.endFile(); fout.close(); - fout.open("pdb_nat.tmp"); - ps.saveSpacer(native); + fout.open(""); + ps.saveSpacer(prot.getModel(native)); ps.endFile(); fout.close(); //Call TMScore binary - return 0; + return tms("", "", imposedModel); +} + +double TMScoreBin::tms(const char* modelFile, const char* nativeFile, Spacer& imposedModel){ + if (access(modelFile, R_OK) && access(nativeFile, R_OK)){ + if(access(binary.c_str(), X_OK)){ + pid_t pid; + int status; + pid = fork(); + if (pid < 0){ + //ERROR("Unable to fork child process",error); + } else { + if (pid == 0){ + //DEBUG_MSG("Exec-ing: " + binary.c_str() + " " + modelFile + " " + nativeFile + " -o " + *TMTMP_OUT); + if (execlp(binary.c_str(), modelFile, nativeFile, "-o ") < 0) + cout << "error"; + //ERROR("Unable to exec",error); + } else{ + while (wait(&status) != pid); + //DEBUG_MSG("Complete."); + } + } + } + } + //Call TMScore binary + return 0; + return 0; } diff --git a/Mobi/Sources/TMScoreBin.h b/Mobi/Sources/TMScoreBin.h index 25c5473..c396762 100644 --- a/Mobi/Sources/TMScoreBin.h +++ b/Mobi/Sources/TMScoreBin.h @@ -9,11 +9,14 @@ #define MOBI_SOURCES_TMSCOREBIN_H_ #include -#include using namespace Victor::Biopool; using namespace Victor::Mobi; +//extern const char* TMTMP_IN1; +//extern const char* TMTMP_IN2; +//extern const char* TMTMP_OUT; + namespace Victor { namespace Mobi { /** @@ -27,11 +30,13 @@ namespace Victor { namespace Mobi { * @param _binary (string) full path to binary TMScore file, must have execution permission * @param _tmp (string) full path to temp dir, must have write permission */ - TMScoreBin(std::string _binary, std::string _tmp) : binary(_binary), tmp(_tmp){}; + TMScoreBin(std::string _binary = "TMScore", std::string _tmp = ".") : binary(_binary), tmp(_tmp){}; - double tms(Spacer& model, Spacer& native, Spacer* imposedModel); - ~TMScoreBin(){ + double tms(const char* modelFile, const char* nativeFile, Spacer& imposedModel); + double tms(ProteinModel& prot, unsigned int model, unsigned int native, Spacer& imposedModel); + ~TMScoreBin(){ + this->~TMScoreBinder(); }; private: diff --git a/Mobi/Sources/TMScoreBinder.h b/Mobi/Sources/TMScoreBinder.h index b4260bd..ff2447a 100644 --- a/Mobi/Sources/TMScoreBinder.h +++ b/Mobi/Sources/TMScoreBinder.h @@ -9,9 +9,10 @@ #define MOBI_SOURCES_TMSCOREBINDER_H_ #include -#include +#include using namespace Victor::Biopool; +using namespace Victor::Mobi; namespace Victor { namespace Mobi { /** @@ -21,13 +22,15 @@ namespace Victor { namespace Mobi { public: /** * @brief Calculates TMScore with given models - * @param prot (ProteinModel&) protein object - * @param model (unsigned int) model name (the one to be super-imposed) - * @param native (unsigned int) native model name (the one on which we super-impose) - * @newMode (Spacer*) target model aligned to reference + * @param prot (ProteinModel&) protein object containing the models + * @param model (unsigned int) target model (the one to be super-imposed) + * @param native (unsigned int) native model (the one on which we super-impose) + * @param imposedModel (Spacer*) copy of target model after TMScore super-imposition over native model * @return TMScore of the two models */ virtual double tms (ProteinModel& prot, unsigned int model, unsigned int native, Spacer& imposedModel){return 0;}; + + virtual double tms(const char* modelFile, const char* nativeFile, Spacer& imposedModel); virtual ~TMScoreBinder(){}; }; From 4335ca35529c347cbf1f405720123cb1187e3d73 Mon Sep 17 00:00:00 2001 From: LucaDemo Date: Fri, 5 Jun 2015 16:47:50 +0200 Subject: [PATCH 04/25] prova --- Mobi/APPS/Mobi.cc | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/Mobi/APPS/Mobi.cc b/Mobi/APPS/Mobi.cc index 4cc6e54..d816b70 100644 --- a/Mobi/APPS/Mobi.cc +++ b/Mobi/APPS/Mobi.cc @@ -115,7 +115,7 @@ int main(int argc, char* argv[]) { tm.tms(prot1, 1, 2, sss); - + //dtf /* From 0a7877b1ceee4069b22686d70916fafc3b3ab979 Mon Sep 17 00:00:00 2001 From: LucaDemo Date: Sat, 6 Jun 2015 18:16:50 +0200 Subject: [PATCH 05/25] tmscorebin --- Mobi/Sources/TMScoreBin.cc | 41 ++++++++++++++++++++++---------------- 1 file changed, 24 insertions(+), 17 deletions(-) diff --git a/Mobi/Sources/TMScoreBin.cc b/Mobi/Sources/TMScoreBin.cc index 030af18..9e9b1a6 100644 --- a/Mobi/Sources/TMScoreBin.cc +++ b/Mobi/Sources/TMScoreBin.cc @@ -11,55 +11,62 @@ #include #include #include -//#include +#include using namespace Victor::Mobi; using namespace Victor::Biopool; -//using namespace std; +using namespace std; -//char* TMTMP_IN1 = "tmin1.pdb.tmp"; -//char* TMTMP_IN2 = "tmin2.pdb.tmp"; -//char* TMTMP_OUT = "tmout.pdb.tmp"; +string TMTMP_IN1 = "tmin1.pdb.tmp"; +string TMTMP_IN2 = "tmin2.pdb.tmp"; +string TMTMP_OUT = "tmout.pdb.tmp"; double TMScoreBin::tms(ProteinModel& prot, unsigned int model, unsigned int native, Spacer& imposedModel){ + std::stringstream sstm; + sstm << "TMScore between models " << model << " and " << native; + DEBUG_MSG(sstm.str()); //Save spacers in pdb files std::ofstream fout; PdbSaver ps(fout); - fout.open(""); + fout.open(TMTMP_IN1.c_str()); ps.saveSpacer(prot.getModel(model)); ps.endFile(); fout.close(); - fout.open(""); + fout.open(TMTMP_IN2.c_str()); ps.saveSpacer(prot.getModel(native)); ps.endFile(); fout.close(); //Call TMScore binary - return tms("", "", imposedModel); + return tms("./" + TMTMP_IN1,"./" + TMTMP_IN2, imposedModel); } -double TMScoreBin::tms(const char* modelFile, const char* nativeFile, Spacer& imposedModel){ - if (access(modelFile, R_OK) && access(nativeFile, R_OK)){ - if(access(binary.c_str(), X_OK)){ +double TMScoreBin::tms(string modelFile, string nativeFile, Spacer& imposedModel){ + if (access(modelFile.c_str(), R_OK) == 0 && access(nativeFile.c_str(), R_OK) == 0){ + if(access(binary.c_str(), X_OK) == 0){ pid_t pid; int status; pid = fork(); if (pid < 0){ - //ERROR("Unable to fork child process",error); + ERROR("Unable to fork child process",error); } else { if (pid == 0){ - //DEBUG_MSG("Exec-ing: " + binary.c_str() + " " + modelFile + " " + nativeFile + " -o " + *TMTMP_OUT); - if (execlp(binary.c_str(), modelFile, nativeFile, "-o ") < 0) - cout << "error"; - //ERROR("Unable to exec",error); + string command = binary + " " + modelFile + " " + nativeFile + " -o " + TMTMP_OUT; + DEBUG_MSG("Exec-ing: " + command); + if (execl("./TMScore",modelFile.c_str(),nativeFile.c_str(), NULL)) + ERROR("Unable to exec",error); } else{ while (wait(&status) != pid); - //DEBUG_MSG("Complete."); + DEBUG_MSG("Complete."); } } } + else + ERROR("No access to " + binary + " binary!",exception); } + else + ERROR("No access to pdb files " + modelFile + " or " + nativeFile, exception); //Call TMScore binary return 0; From 002e1a945923cf530c9fdbaa01f10fe9e950da8a Mon Sep 17 00:00:00 2001 From: LucaDemo Date: Wed, 17 Jun 2015 15:55:50 +0200 Subject: [PATCH 06/25] MobiResult rewritten --- Mobi/APPS/Mobi.cc | 64 ++++++++++++++++++++++++----------- Mobi/APPS/Mobi.o | Bin 45304 -> 59000 bytes Mobi/Sources/Makefile | 4 +-- Mobi/Sources/ProteinModel.cc | 30 ++++++++-------- Mobi/Sources/ProteinModel.h | 3 +- Mobi/Sources/ProteinModel.o | Bin 10896 -> 10544 bytes Mobi/Sources/TMScoreBin.cc | 59 ++++++++++++++++++++++++-------- Mobi/Sources/TMScoreBin.h | 18 +++++----- Mobi/Sources/TMScoreBin.o | Bin 12256 -> 33392 bytes Mobi/Sources/TMScoreBinder.h | 2 +- tools/Debug.h | 3 +- 11 files changed, 119 insertions(+), 64 deletions(-) diff --git a/Mobi/APPS/Mobi.cc b/Mobi/APPS/Mobi.cc index d816b70..b83dd46 100644 --- a/Mobi/APPS/Mobi.cc +++ b/Mobi/APPS/Mobi.cc @@ -18,6 +18,7 @@ */ /** */ + #include #include #include @@ -25,6 +26,8 @@ #include #include #include +#include +#include using namespace Victor; using namespace Victor::Biopool; @@ -34,23 +37,36 @@ void sShowHelp() { cout << "Help message goes here...\n\n"; } +vector splitString(std::string in, char del){ + vector toks; + std::stringstream ss(in); + std::string tok; + + while(std::getline(ss, tok, del)){ + toks.push_back(tok); + } + return toks; +} + int main(int argc, char* argv[]) { + DEBUG_MSG("Welcome to Mobi!"); //If -h specified, show help message if (getArg("h", argc, argv)) { sShowHelp(); return 1; } - string inputFile, outputFile, chainID; - unsigned int modelNum; - bool chi, all; + string inputFile, outputFile, chainID, modelList; + vector models; + unsigned int modevelNum; + + bool chi; getArg("i", inputFile, argc, argv, "!"); getArg("o", outputFile, argc, argv, "!"); getArg("c", chainID, argc, argv, "!"); - getArg("m", modelNum, argc, argv, 999); - all = getArg("-all", argc, argv); + getArg("m", modelList, argc, argv, "!"); chi = getArg("-chi", argc, argv); // Check input file @@ -66,39 +82,47 @@ int main(int argc, char* argv[]) { vector model; // Set PdbLoader variables - if (!getArg("v", argc, argv)) { pl.setNoVerbose(); } - // Check chain args - if ((chainID != "!") && all) { - ERROR("You can use --all or -c, not both", error); - } + // User selected chain if (chainID != "!") { if (chainID.size() > 1) ERROR("You can choose only 1 chain", error); pl.setChain(chainID[0]); - }// All chains - else if (all) { - pl.setAllChains(); + pl.checkAndSetChain(); }// First chain else { pl.setChain(pl.getAllChains()[0]); } + // User selected models + if (modelList != "!"){ + models = sToVectorOfUIntDEF(translate(modelList,',',' ')); + for (unsigned int i = 0; i < models.size(); i++) + if (models[i] > pl.getMaxModels()) + ERROR("You specified out of bound model number(s). Max for this input pdb is " + pl.getMaxModels(), exception); + }else{ + for (unsigned int i = 1; i <= pl.getMaxModels(); i++) + models.push_back(i); + } + // Load the protein object // Open the proper output stream (file or stdout) - std::ofstream fout; + //std::ofstream fout; + + ProteinModel prot; + //PdbSaver ps(cout); + models = vector(); + models.push_back(3); + models.push_back(1); + //models.push_back(3); + prot.load(pl,models); - ProteinModel prot1; - PdbSaver ps(cout); - //ps.saveProtein(prot1); - prot1.load(pl); - cout << "sizeProtein = " << prot1.sizeProtein() << endl; /* for (unsigned int i = 1; i < 5; i++){ @@ -112,7 +136,7 @@ int main(int argc, char* argv[]) { */ TMScoreBin tm("TMScore","."); Spacer sss; - tm.tms(prot1, 1, 2, sss); + cout << "TM-score = " << tm.tms(prot, 0, 1, sss); //dtf diff --git a/Mobi/APPS/Mobi.o b/Mobi/APPS/Mobi.o index 1fbd0ed5d923d5c0f014768a18325c9aed19763b..3aadef12537707adbc2b1d1592476ae75e49e631 100644 GIT binary patch literal 59000 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a/Mobi/Sources/ProteinModel.cc b/Mobi/Sources/ProteinModel.cc index 70a7d5f..0b66e56 100644 --- a/Mobi/Sources/ProteinModel.cc +++ b/Mobi/Sources/ProteinModel.cc @@ -17,7 +17,7 @@ /** * @file ProteinModel.cc * @author Luca Demo - * @date May 2015 + * @date Jun 2015 * @version 0.1 */ #include @@ -33,22 +33,22 @@ using namespace Victor::Biopool; * @param chain (char) name of the chain to load, * = first chain (default) * @param model (unsigned int) model to load, 0 = all models (default) */ -void ProteinModel::load(PdbLoader& pl, char chain, unsigned int model){ - if (chain != '*') - pl.setChain(chain); - else - pl.setChain(pl.getAllChains()[0]); - pl.checkAndSetChain(); - if (model > 0){ //load a single model (the specified one) - pl.setModel(model); +void ProteinModel::load(PdbLoader& pl, vector models){ + /*for(unsigned int i = 0; i < models.size(); i++){ //for debug + cout << models[i] << endl; + pl.setModel(models[i]); pl.checkModel(); this->Protein::load(pl); - }else //load all models - for (unsigned int i = 0; i < pl.getMaxModels(); i++){ - pl.setModel(i); - pl.checkModel(); - this->Protein::load(pl); - } + cout << this->sizeProtein() << endl; + cout << this->getSpacer((unsigned int) 0)->getType() << endl; + }*/ + + for(unsigned int i = 0; i < models.size(); i++){ + pl.setModel(models[i]); + pl.checkModel(); + this->Protein::load(pl); + } + } /** diff --git a/Mobi/Sources/ProteinModel.h b/Mobi/Sources/ProteinModel.h index 25724f9..4223495 100644 --- a/Mobi/Sources/ProteinModel.h +++ b/Mobi/Sources/ProteinModel.h @@ -28,7 +28,6 @@ #include using namespace Victor::Biopool; -//using namespace Victor::Mobi; namespace Victor { namespace Mobi { /** @@ -41,7 +40,7 @@ namespace Victor { namespace Mobi { ProteinModel(const Protein& _orig) : Protein(_orig){}; - void load(PdbLoader& pl, char chain = '*', unsigned int model = 0); + void load(PdbLoader& pl, vector models); Spacer& getModel(unsigned int _model); void SD(vector& sd, ProteinModel& ref, AtomCode atom, double d0 = 4); void SD(vector& sd, Spacer& ref, AtomCode atom, double d0 = 4); diff --git a/Mobi/Sources/ProteinModel.o b/Mobi/Sources/ProteinModel.o index d1759741e0cf2708b35e6a733481c946db625986..d13269e51f2c80dfdbcc1d63c605c4c6f9528396 100644 GIT binary patch delta 2709 zcmZ`*ZA=_R7~VNJIS$ynYFDA5!3~o`?y@LD4-ck&lvIYMV;5HK{cA2sD1A z9+uYTa%~EEtuaPSNUX#(Q7DaRFeoauM4Q+~`$J=*HKx)iM(iI@nmRMPYhTfwWS-r9 zp7(v`-PxJl9qyj!9QIp&$QudzlHIML*;wjIbZacN+8tW#Qd2k7p(yOKR%-q4OlwQnDbirlvC zf41)nb!g7^*v{yV=*~~C^OWH|HICB5{7gDShV32quoK>S+s~m{b{@B=vgcUFX4(64 zW{d0}vOXl&Svq8YRQ5(?4-06PZB7>2%i~$IY6q!_9S31Cr-jTxDEFwfj$OCIOm4MB zlBRyn9VMg)j>wxVm$G154%_3UTHbsX{3(Zt7ebB*!-T*|N5taw!5@xB(gY!A#8U5r zK4+ul_iQ-B4iijrHWCknToD$qSf?5aWI|3utZ)~Z zhIb0bNeOhUqe`5)RkFT%OKaKsO5ajRjeEBgvJM@wZgcG(FZ`vsB+#! z{f?`#uQN1z9^_};xS18i7a_hlQ;WB=L%nt?uoKG4X>uD<14!MW^L&&b>&7U1P<$@q z`5S<@rxA~R_M7-Tukk^NmxU9ODB&)q83P}KtL0RA1*y2KH^EgwmA6gQ36XowMEwL3 z6*Ts_iTW4ft5H1}`rhRev=Q-6xXj!-qy 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a/Mobi/Sources/TMScoreBin.cc +++ b/Mobi/Sources/TMScoreBin.cc @@ -1,10 +1,25 @@ -/* - * TMScoreBin.cc - * - * Created on: 01/giu/2015 - * Author: luca +/* This file is part of Victor + + Victor is free software: you can redistribute it and/or modify + it under the terms of the GNU General Public License as published by + the Free Software Foundation, either version 3 of the License, or + (at your option) any later version. + + Victor is distributed in the hope that it will be useful, + but WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the + GNU General Public License for more details. + + You should have received a copy of the GNU General Public License + along with Victor. If not, see . */ +/** + * @file TMScoreBin.cc + * @author Luca Demo + * @date Jun 2015 + * @version 0.1 + */ #include #include #include @@ -12,6 +27,8 @@ #include #include #include +#include +#include using namespace Victor::Mobi; using namespace Victor::Biopool; @@ -26,6 +43,7 @@ double TMScoreBin::tms(ProteinModel& prot, unsigned int model, unsigned int nati std::stringstream sstm; sstm << "TMScore between models " << model << " and " << native; DEBUG_MSG(sstm.str()); + //Save spacers in pdb files std::ofstream fout; PdbSaver ps(fout); @@ -39,26 +57,41 @@ double TMScoreBin::tms(ProteinModel& prot, unsigned int model, unsigned int nati fout.close(); //Call TMScore binary - return tms("./" + TMTMP_IN1,"./" + TMTMP_IN2, imposedModel); + return tms(TMTMP_IN1, TMTMP_IN2, imposedModel); } double TMScoreBin::tms(string modelFile, string nativeFile, Spacer& imposedModel){ if (access(modelFile.c_str(), R_OK) == 0 && access(nativeFile.c_str(), R_OK) == 0){ if(access(binary.c_str(), X_OK) == 0){ pid_t pid; - int status; + //Pipeing TMS output + int pipefd[2]; + pipe(pipefd); + //Forking child for TMS pid = fork(); if (pid < 0){ ERROR("Unable to fork child process",error); } else { if (pid == 0){ - string command = binary + " " + modelFile + " " + nativeFile + " -o " + TMTMP_OUT; - DEBUG_MSG("Exec-ing: " + command); - if (execl("./TMScore",modelFile.c_str(),nativeFile.c_str(), NULL)) + close(pipefd[0]); + dup2(pipefd[1],1); //stdout + dup2(pipefd[1],2); //stderr + close(pipefd[1]); + if (execl(binary.c_str(),binary.c_str(), modelFile.c_str(),nativeFile.c_str(), NULL)) ERROR("Unable to exec",error); } else{ - while (wait(&status) != pid); - DEBUG_MSG("Complete."); + char buffer[2048]; + if (read(pipefd[0],buffer, sizeof(buffer)) > 0){ + char * tok; + tok = strtok(buffer,"\n\r"); + while (tok != NULL){ + if (string(tok).find("TM-score") == 0) + if (string(tok).find("=") > 0) + return std::strtod(string(tok).substr(string(tok).find("=")+2,6).c_str(),NULL); + tok = strtok(NULL,"\n\r"); + } + } + ERROR("TM-score failed or non reconized output", exception) } } } @@ -68,8 +101,6 @@ double TMScoreBin::tms(string modelFile, string nativeFile, Spacer& imposedModel else ERROR("No access to pdb files " + modelFile + " or " + nativeFile, exception); - //Call TMScore binary - return 0; return 0; } diff --git a/Mobi/Sources/TMScoreBin.h b/Mobi/Sources/TMScoreBin.h index c396762..48c9dce 100644 --- a/Mobi/Sources/TMScoreBin.h +++ b/Mobi/Sources/TMScoreBin.h @@ -10,19 +10,20 @@ #include + using namespace Victor::Biopool; using namespace Victor::Mobi; -//extern const char* TMTMP_IN1; -//extern const char* TMTMP_IN2; -//extern const char* TMTMP_OUT; +extern string TMTMP_IN1; +extern string TMTMP_IN2; +extern string TMTMP_OUT; namespace Victor { namespace Mobi { /** * @brief TMScore functionalities through external binary. */ - class TMScoreBin : public TMScoreBinder{ + class TMScoreBin{ public: /** @@ -33,11 +34,10 @@ namespace Victor { namespace Mobi { 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zkvUb$n=^2+3U`LJt4azv%4TZbGGQUl%Lj`7o=`qAB4HEc=dH=i{zzmi@L8)=GVKF} zG(^I59wSqKizs^3!xta*+aY}n|A;}lnc>L8Ym_AXZbL$O#OXbB0zn{r;x z+Ic;^zaydj0Z3$jnBjd4-^K7jhFc0JzcfD6On!*T=NTSj_z{;K>cb+F=k5F{!+ATO zVK{H+OD_A=&NED&xAQfI^LD$)ej1o%|vGbrObrlj70-E=Xiw!SbZ(b5vkCF26BIv@WQ> zh>tTlj^q6}5$U1)W&$B!r+CEi?v^O17{t}lwM04@exu?s3p1Q}gmBD}&`v~h&QHJM z5$AVRafajn8;C{~gYx*l1){qZgE&1C5eniD5RNm=HI_*iarnfo5cx$MK4mMkM{$VL z*dkP5I6qxmU^vARLMIrGYl-L=ib4Bp355KV;t{`8@tD1#c*FyW$81UQh*QiXbO{a& d5Vqwe$vHnkg`+$sqU)GE-mep7nLLlr{{i`%`Un63 diff --git a/Mobi/Sources/TMScoreBinder.h b/Mobi/Sources/TMScoreBinder.h index ff2447a..bc66e3d 100644 --- a/Mobi/Sources/TMScoreBinder.h +++ b/Mobi/Sources/TMScoreBinder.h @@ -31,7 +31,7 @@ namespace Victor { namespace Mobi { virtual double tms (ProteinModel& prot, unsigned int model, unsigned int native, Spacer& imposedModel){return 0;}; virtual double tms(const char* modelFile, const char* nativeFile, Spacer& imposedModel); - virtual ~TMScoreBinder(){}; + virtual ~TMScoreBinder(){} }; }} diff --git a/tools/Debug.h b/tools/Debug.h index 207fc4f..f78a8fc 100644 --- a/tools/Debug.h +++ b/tools/Debug.h @@ -151,7 +151,8 @@ class ObjectTrace { #define PRECOND(a, b) #define POSTCOND(a, b) #define INVARIANT(a, b) -#define DEBUG_MSG(a) +#define DEBUG_MSG(aString) V1OUT << "DEBUG_MSG(off): " << (aString) << endl +//#define DEBUG_MSG(a) #define DEBUG_BREAK(a, b) #define DEBUG_TRACE #define DUMP(a) From 71399f4655262809fdabe347c342d3fde2b9f3e3 Mon Sep 17 00:00:00 2001 From: LucaDemo Date: Thu, 18 Jun 2015 10:18:29 +0200 Subject: [PATCH 07/25] Errors in Tests build... --- Biopool/Tests/TestBiopool.cc | 2 +- Mobi/Sources/Makefile | 4 +- Mobi/Sources/SDResults.cc | 57 ++++++++++++++++++++++ Mobi/Sources/SDResults.h | 69 ++++++++++++++++++++++++++ Mobi/Sources/TMScoreBin.h | 2 +- Mobi/Tests/Makefile | 57 ++++++++++++++++++++++ Mobi/Tests/TestMobi.cc | 25 ++++++++++ Mobi/Tests/TestSDResults.h | 95 ++++++++++++++++++++++++++++++++++++ 8 files changed, 307 insertions(+), 4 deletions(-) create mode 100644 Mobi/Sources/SDResults.cc create mode 100644 Mobi/Sources/SDResults.h create mode 100644 Mobi/Tests/Makefile create mode 100644 Mobi/Tests/TestMobi.cc create mode 100644 Mobi/Tests/TestSDResults.h diff --git a/Biopool/Tests/TestBiopool.cc b/Biopool/Tests/TestBiopool.cc index 51222fb..b2085a9 100644 --- a/Biopool/Tests/TestBiopool.cc +++ b/Biopool/Tests/TestBiopool.cc @@ -20,7 +20,7 @@ int main() { CppUnit::TextUi::TestRunner runner; cout << "Creating Test Suites:" << endl; - runner.addTest(TestAtom::suite()); + //runner.addTest(TestAtom::suite()); runner.addTest(TestGroup::suite()); runner.addTest(TestAminoAcid::suite()); runner.addTest(TestSpacer::suite()); diff --git a/Mobi/Sources/Makefile b/Mobi/Sources/Makefile index f6b9e0c..7b9e35a 100644 --- a/Mobi/Sources/Makefile +++ b/Mobi/Sources/Makefile @@ -27,10 +27,10 @@ INC_PATH = -I. -I../../tools -I../../Biopool/Sources # -SOURCES = ProteinModel.cc TMScoreBin.cc MobiResults.cc +SOURCES = ProteinModel.cc TMScoreBin.cc SDResults.cc -OBJECTS = ProteinModel.o TMScoreBin.o MobiResults.o +OBJECTS = ProteinModel.o TMScoreBin.o SDResults.o TARGETS = diff --git a/Mobi/Sources/SDResults.cc b/Mobi/Sources/SDResults.cc new file mode 100644 index 0000000..1f648a0 --- /dev/null +++ b/Mobi/Sources/SDResults.cc @@ -0,0 +1,57 @@ +/* + * MobiMethods.cc + * + * Created on: 09/giu/2015 + * Author: luca + */ + + +#include +using namespace Victor; +using namespace Victor::Biopool; +using namespace Victor::Mobi; + +double const DEF_D0 = 4; +AtomCode const DEF_ATOM = CA; + +/** + * Get Scale Distance between two models + * @param sd (vector&) output vector + * @param mod (Spacer&) model structure + * @param ref (Spacer&) reference structure + * @param atoms (vector&) names of the atoms to consider, default value is used if not specified + * @param d0 (double) normalization parameter, default value is used if not specified + */ +void Victor::Mobi::scaledDistance(vector& sd, Spacer& mod, Spacer& ref, AtomCode atom, double d0){ + sd.clear(); + if (ref.size() != mod.size()) + ERROR("Reference protein spacer has a different number of Amino",exception); + for (unsigned int i = 0; i < ref.size(); i++){ //foreach Amino + if (ref.getAmino(i).getType() != mod.getAmino(i).getType()) + ERROR("Reference protein Aminos are not compatible",exception); + Atom mAtom = mod.getAmino(i).getAtom((unsigned int)atom); + Atom refAtom = ref.getAmino(i).getAtom((unsigned int)atom); + + double dist; + dist = sqrt(pow(mAtom.getCoords().x - refAtom.getCoords().x,2.0) + + pow(mAtom.getCoords().y - refAtom.getCoords().y,2.0) + + pow(mAtom.getCoords().z - refAtom.getCoords().z,2.0) + ); + sd.insert(sd.end(), dist); + } +} + +/** + * Calculates the mean Scaled Distance by calculating the mean of all + * the distance between pair of aligned models. + * @param mean (vector *) pointer to output vector + */ +void SDResults::meanSD(vector *mean){ + mean = new vector(this->modelsSize()); + std::map >::const_iterator it; + for (it = this->results->begin(); it != this->results->end(); ++it) + for (unsigned int a = 0; a < this->modelsSize(); a++) + (*mean)[a] += it->second[a]; + for (unsigned int a = 0; a < this->modelsSize(); a++) + (*mean)[a] /= this->size(); +} diff --git a/Mobi/Sources/SDResults.h b/Mobi/Sources/SDResults.h new file mode 100644 index 0000000..db8158b --- /dev/null +++ b/Mobi/Sources/SDResults.h @@ -0,0 +1,69 @@ + +#ifndef MOBI_SOURCES_SDRESULTS_H_ +#define MOBI_SOURCES_SDRESULTS_H_ + +#include +#include +#include +#include +#include +#include +using namespace Victor::Biopool; + +extern const double DEF_D0; +extern const AtomCode DEF_ATOM; +//extern double psi; + +namespace Victor { namespace Mobi { + +void scaledDistance(vector& sd, Spacer& mod, Spacer& ref, AtomCode atom = CA, double d0 = 4); +//void avgScaledDistance(); + +/** + * @brief Class used to manage collections of Mobility results + */ +class SDResults{ + +public: + SDResults(){ + this->results = new std::map >(); + } + + void addResult(int id, std::vector& result){ + if (size() > 0) + if (result.size() != modelsSize()) + ERROR("Trying to add a result of non compatible size",exception); + results->insert(std::make_pair(id,result)); + result.size(); + } + + void getResult(vector& res, int id){ + std::map >::const_iterator it = this->results->find(id); + if (it != this->results->end()) + res = it->second; + } + + unsigned int modelsSize(){ + if (size() < 1) + ERROR("Cannot get model lenght, since there are no models in this SDResult object",exception); + return this->results->begin()->second.size(); + } + + unsigned int size(){ + return this->results->size(); + } + + std::map >::const_iterator iterator(){ + return this->results->begin(); + } + + void meanSD(vector *res); + +private: + std::map > *results; +}; + + +}} //namespaces + +#endif /* MOBI_SOURCES_SDRESULTS_H_ */ diff --git a/Mobi/Sources/TMScoreBin.h b/Mobi/Sources/TMScoreBin.h index 48c9dce..e004272 100644 --- a/Mobi/Sources/TMScoreBin.h +++ b/Mobi/Sources/TMScoreBin.h @@ -34,7 +34,7 @@ namespace Victor { namespace Mobi { TMScoreBin(std::string _binary = "TMScore", std::string _tmp = ".") : binary(_binary), tmp(_tmp){}; - virtual double tms(string modelFile, string& nativeFile, Spacer& imposedModel); + virtual double tms(string modelFile, string nativeFile, Spacer& imposedModel); virtual double tms(ProteinModel& prot, unsigned int model, unsigned int native, Spacer& imposedModel); virtual ~TMScoreBin(){}; diff --git a/Mobi/Tests/Makefile b/Mobi/Tests/Makefile new file mode 100644 index 0000000..5139ec7 --- /dev/null +++ b/Mobi/Tests/Makefile @@ -0,0 +1,57 @@ +#--*- makefile -*-------------------------------------------------------------- +# +# Standard makefile +# +#------------------------------------------------------------------------------ + +# Path to project directory. +UPDIR = ../.. +# Path to subdirectories. +SUBDIR= +# Path to directory for binaries: +BINPATH = ../../bin + + +# +# Libraries and paths (which are not defined globally). +# + +LIBS = -lBiopool -ltools -L/usr/lib/ -lMobi -lm -ldl -lcppunit + +LIB_PATH = -L. + +INC_PATH = -I. + +# +# Objects and headers +# + +SOURCES = TestMobi.cc + +OBJECTS = $(SOURCES:.cpp=.o) + +TARGETS = TestMobi + +EXECS = TestMobi + +LIBRARY = TESTlibMobi.a + + + +# +# Install rule +# + +compile: all + +all: install + +install: $(LIBRARY) $(TARGETS) + mv $(EXECS) $(UPDIR)/bin + mv $(LIBRARY) $(UPDIR)/lib + +# +# Call global Makefile to do the job. +# + +include ../../Makefile.global diff --git a/Mobi/Tests/TestMobi.cc b/Mobi/Tests/TestMobi.cc new file mode 100644 index 0000000..7c95ff3 --- /dev/null +++ b/Mobi/Tests/TestMobi.cc @@ -0,0 +1,25 @@ +/* + * TestMobi.cc + * + * Created on: 17/giu/2015 + * Author: luca + */ + +#include +#include +#include + +#include +using namespace std; + + +int main() { + CppUnit::TextUi::TestRunner runner; + + cout << "Creating Test Suites:" << endl; + runner.addTest(TestSDResults::suite()); + cout<< "Running the unit tests."< +#include +#include +#include +#include +#include + +#include +#include +#include + +using namespace std; +using namespace Victor::Mobi; + +class TestSDResults : public CppUnit::TestFixture { + +public: + + TestSDResults(){} + + ~TestSDResults(){} + + static CppUnit::Test *suite() { + CppUnit::TestSuite *suiteOfTests = new CppUnit::TestSuite("TestSDResults"); + + suiteOfTests->addTest(new CppUnit::TestCaller("Test1 - Populate the results map", + &TestSDResults::testSDPopulation)); + + suiteOfTests->addTest(new CppUnit::TestCaller("Test2 - Calculate scaled distance mean", + &TestSDResults::testSDMean)); + + suiteOfTests->addTest(new CppUnit::TestCaller("Test3 - Calculate scaled distance standard deviation", + &TestSDResults::testSDSD)); + + return suiteOfTests; + } + + void setUp(){} + + void tearDown(){} + +protected: + + void testSDPopulation(){ + SDResults sdr = SDResults(); + fillWith3Results10(sdr); + CPPUNIT_ASSERT(sdr.size() == 3); + CPPUNIT_ASSERT(sdr.modelsSize() == 10); + } + + void testSDMean(){ + SDResults sdr = SDResults(); + fillWith3Results10(sdr); + vector *mean = new vector(10); + sdr.meanSD(mean); + for (unsigned int i = 0; i < 10; i++) + CPPUNIT_ASSERT((*mean)[i] == i+3); + } + + void testSDSD(){ + CPPUNIT_ASSERT(true); + } + +private: + + void fillWith3Results10(SDResults& sdr){ + unsigned int modelLen = 10; + vector *v1 = new vector(modelLen); + vector *v2 = new vector(modelLen); + vector *v3 = new vector(modelLen); + for (unsigned int i = 0; i < modelLen; i++){ + (*v1)[i] = i; + (*v2)[i] = i+1; + (*v3)[i] = i+2; + } + sdr.addResult(1,*v1); + sdr.addResult(2,*v2); + sdr.addResult(3,*v3); + } +}; + + + +#endif /* MOBI_TESTS_TESTSDRESULTS_H_ */ From c154b7593c8471daf3a631171aa821ab7aa363ff Mon Sep 17 00:00:00 2001 From: LucaDemo Date: Thu, 18 Jun 2015 16:15:08 +0200 Subject: [PATCH 08/25] Fix test makefile --- Mobi/Sources/Makefile | 4 +-- Mobi/Sources/{SDResults.cc => Results.cc} | 12 ++++--- Mobi/Sources/{SDResults.h => Results.h} | 10 +++--- Mobi/Tests/Makefile | 6 ++-- Mobi/Tests/TestMobi.cc | 4 +-- Mobi/Tests/{TestSDResults.h => TestResults.h} | 34 +++++++++---------- 6 files changed, 36 insertions(+), 34 deletions(-) rename Mobi/Sources/{SDResults.cc => Results.cc} (87%) rename Mobi/Sources/{SDResults.h => Results.h} (91%) rename Mobi/Tests/{TestSDResults.h => TestResults.h} (61%) diff --git a/Mobi/Sources/Makefile b/Mobi/Sources/Makefile index 7b9e35a..a5c0165 100644 --- a/Mobi/Sources/Makefile +++ b/Mobi/Sources/Makefile @@ -27,10 +27,10 @@ INC_PATH = -I. -I../../tools -I../../Biopool/Sources # -SOURCES = ProteinModel.cc TMScoreBin.cc SDResults.cc +SOURCES = ProteinModel.cc TMScoreBin.cc Results.cc -OBJECTS = ProteinModel.o TMScoreBin.o SDResults.o +OBJECTS = ProteinModel.o TMScoreBin.o Results.o TARGETS = diff --git a/Mobi/Sources/SDResults.cc b/Mobi/Sources/Results.cc similarity index 87% rename from Mobi/Sources/SDResults.cc rename to Mobi/Sources/Results.cc index 1f648a0..a0ee309 100644 --- a/Mobi/Sources/SDResults.cc +++ b/Mobi/Sources/Results.cc @@ -5,14 +5,16 @@ * Author: luca */ +#include +#include +#include +#include -#include -using namespace Victor; using namespace Victor::Biopool; using namespace Victor::Mobi; double const DEF_D0 = 4; -AtomCode const DEF_ATOM = CA; +//AtomCode const DEF_ATOM = CA; /** * Get Scale Distance between two models @@ -22,7 +24,7 @@ AtomCode const DEF_ATOM = CA; * @param atoms (vector&) names of the atoms to consider, default value is used if not specified * @param d0 (double) normalization parameter, default value is used if not specified */ -void Victor::Mobi::scaledDistance(vector& sd, Spacer& mod, Spacer& ref, AtomCode atom, double d0){ +void scaledDistance(vector& sd, Spacer& mod, Spacer& ref, AtomCode atom, double d0){ sd.clear(); if (ref.size() != mod.size()) ERROR("Reference protein spacer has a different number of Amino",exception); @@ -46,7 +48,7 @@ void Victor::Mobi::scaledDistance(vector& sd, Spacer& mod, Spacer& ref, * the distance between pair of aligned models. * @param mean (vector *) pointer to output vector */ -void SDResults::meanSD(vector *mean){ +void Results::meanSD(vector *mean){ mean = new vector(this->modelsSize()); std::map >::const_iterator it; for (it = this->results->begin(); it != this->results->end(); ++it) diff --git a/Mobi/Sources/SDResults.h b/Mobi/Sources/Results.h similarity index 91% rename from Mobi/Sources/SDResults.h rename to Mobi/Sources/Results.h index db8158b..52e87a0 100644 --- a/Mobi/Sources/SDResults.h +++ b/Mobi/Sources/Results.h @@ -1,6 +1,6 @@ -#ifndef MOBI_SOURCES_SDRESULTS_H_ -#define MOBI_SOURCES_SDRESULTS_H_ +#ifndef MOBI_SOURCES_RESULTS_H_ +#define MOBI_SOURCES_RESULTS_H_ #include #include @@ -22,10 +22,10 @@ void scaledDistance(vector& sd, Spacer& mod, Spacer& ref, AtomCode atom /** * @brief Class used to manage collections of Mobility results */ -class SDResults{ +class Results{ public: - SDResults(){ + Results(){ this->results = new std::map >(); } @@ -66,4 +66,4 @@ class SDResults{ }} //namespaces -#endif /* MOBI_SOURCES_SDRESULTS_H_ */ +#endif /* MOBI_SOURCES_RESULTS_H_ */ diff --git a/Mobi/Tests/Makefile b/Mobi/Tests/Makefile index 5139ec7..9c4e904 100644 --- a/Mobi/Tests/Makefile +++ b/Mobi/Tests/Makefile @@ -16,17 +16,17 @@ BINPATH = ../../bin # Libraries and paths (which are not defined globally). # -LIBS = -lBiopool -ltools -L/usr/lib/ -lMobi -lm -ldl -lcppunit +LIBS = -lMobi -lBiopool -ltools -L/usr/lib/ -lm -ldl -lcppunit LIB_PATH = -L. -INC_PATH = -I. +INC_PATH = -I. -I../../tools/ -I../../Biopool/Sources -I../../Mobi/Sources # # Objects and headers # -SOURCES = TestMobi.cc +SOURCES = TestMobi.cc TestResults.h OBJECTS = $(SOURCES:.cpp=.o) diff --git a/Mobi/Tests/TestMobi.cc b/Mobi/Tests/TestMobi.cc index 7c95ff3..2e3980b 100644 --- a/Mobi/Tests/TestMobi.cc +++ b/Mobi/Tests/TestMobi.cc @@ -9,7 +9,7 @@ #include #include -#include +#include "TestResults.h" using namespace std; @@ -17,7 +17,7 @@ int main() { CppUnit::TextUi::TestRunner runner; cout << "Creating Test Suites:" << endl; - runner.addTest(TestSDResults::suite()); + runner.addTest(TestResults::suite()); cout<< "Running the unit tests."< @@ -18,30 +18,30 @@ #include #include -#include +#include using namespace std; using namespace Victor::Mobi; -class TestSDResults : public CppUnit::TestFixture { +class TestResults : public CppUnit::TestFixture { public: - TestSDResults(){} + TestResults(){} - ~TestSDResults(){} + virtual ~TestResults(){} static CppUnit::Test *suite() { - CppUnit::TestSuite *suiteOfTests = new CppUnit::TestSuite("TestSDResults"); + CppUnit::TestSuite *suiteOfTests = new CppUnit::TestSuite("TestResults"); - suiteOfTests->addTest(new CppUnit::TestCaller("Test1 - Populate the results map", - &TestSDResults::testSDPopulation)); + suiteOfTests->addTest(new CppUnit::TestCaller("Test1 - Populate the results map", + &TestResults::testSDPopulation)); - suiteOfTests->addTest(new CppUnit::TestCaller("Test2 - Calculate scaled distance mean", - &TestSDResults::testSDMean)); + suiteOfTests->addTest(new CppUnit::TestCaller("Test2 - Calculate scaled distance mean", + &TestResults::testSDMean)); - suiteOfTests->addTest(new CppUnit::TestCaller("Test3 - Calculate scaled distance standard deviation", - &TestSDResults::testSDSD)); + suiteOfTests->addTest(new CppUnit::TestCaller("Test3 - Calculate scaled distance standard deviation", + &TestResults::testSDSD)); return suiteOfTests; } @@ -53,14 +53,14 @@ class TestSDResults : public CppUnit::TestFixture { protected: void testSDPopulation(){ - SDResults sdr = SDResults(); + Results sdr = Results(); fillWith3Results10(sdr); CPPUNIT_ASSERT(sdr.size() == 3); CPPUNIT_ASSERT(sdr.modelsSize() == 10); } void testSDMean(){ - SDResults sdr = SDResults(); + Results sdr = Results(); fillWith3Results10(sdr); vector *mean = new vector(10); sdr.meanSD(mean); @@ -74,7 +74,7 @@ class TestSDResults : public CppUnit::TestFixture { private: - void fillWith3Results10(SDResults& sdr){ + void fillWith3Results10(Results& sdr){ unsigned int modelLen = 10; vector *v1 = new vector(modelLen); vector *v2 = new vector(modelLen); @@ -92,4 +92,4 @@ class TestSDResults : public CppUnit::TestFixture { -#endif /* MOBI_TESTS_TESTSDRESULTS_H_ */ +#endif /* MOBI_TESTS_TESTRESULTS_H_ */ From c0d468c5d2b79a45aecf1f9ca1a2ddf40978a29b Mon Sep 17 00:00:00 2001 From: LucaDemo Date: Thu, 18 Jun 2015 23:57:20 +0200 Subject: [PATCH 09/25] Test and standard dev --- Biopool/Tests/TestBiopool.cc | 2 +- Makefile.global | 1 + Mobi/Sources/Makefile | 4 +- Mobi/Sources/MobiMethods.cc | 45 +++++++++++ Mobi/Sources/Results.cc | 59 -------------- Mobi/Sources/Results.h | 69 ---------------- Mobi/Sources/VectorCollection.h | 127 ++++++++++++++++++++++++++++++ Mobi/Tests/Makefile | 2 +- Mobi/Tests/TestMobi.cc | 4 +- Mobi/Tests/TestResults.h | 95 ---------------------- Mobi/Tests/TestVectorCollection.h | 116 +++++++++++++++++++++++++++ tools/Debug.h | 3 +- 12 files changed, 296 insertions(+), 231 deletions(-) create mode 100644 Mobi/Sources/MobiMethods.cc delete mode 100644 Mobi/Sources/Results.cc delete mode 100644 Mobi/Sources/Results.h create mode 100644 Mobi/Sources/VectorCollection.h delete mode 100644 Mobi/Tests/TestResults.h create mode 100644 Mobi/Tests/TestVectorCollection.h diff --git a/Biopool/Tests/TestBiopool.cc b/Biopool/Tests/TestBiopool.cc index b2085a9..51222fb 100644 --- a/Biopool/Tests/TestBiopool.cc +++ b/Biopool/Tests/TestBiopool.cc @@ -20,7 +20,7 @@ int main() { CppUnit::TextUi::TestRunner runner; cout << "Creating Test Suites:" << endl; - //runner.addTest(TestAtom::suite()); + runner.addTest(TestAtom::suite()); runner.addTest(TestGroup::suite()); runner.addTest(TestAminoAcid::suite()); runner.addTest(TestSpacer::suite()); diff --git a/Makefile.global b/Makefile.global index 75c5acd..afc2e9e 100644 --- a/Makefile.global +++ b/Makefile.global @@ -178,6 +178,7 @@ subclean: $(RM) -fr ./Lobo/data $(RM) -fr ./Biopool/data $(RM) -fr ./Mobi/data + $(RM) -fr ./Mobi/data/* diff --git a/Mobi/Sources/Makefile b/Mobi/Sources/Makefile index a5c0165..840a936 100644 --- a/Mobi/Sources/Makefile +++ b/Mobi/Sources/Makefile @@ -27,10 +27,10 @@ INC_PATH = -I. -I../../tools -I../../Biopool/Sources # -SOURCES = ProteinModel.cc TMScoreBin.cc Results.cc +SOURCES = ProteinModel.cc TMScoreBin.cc MobiMethods.cc -OBJECTS = ProteinModel.o TMScoreBin.o Results.o +OBJECTS = ProteinModel.o TMScoreBin.o MobiMethods.o TARGETS = diff --git a/Mobi/Sources/MobiMethods.cc b/Mobi/Sources/MobiMethods.cc new file mode 100644 index 0000000..0d84fdb --- /dev/null +++ b/Mobi/Sources/MobiMethods.cc @@ -0,0 +1,45 @@ +/* + * MobiMethods.cc + * + * Created on: 09/giu/2015 + * Author: luca + */ + +#include +#include +#include +#include + +using namespace Victor::Biopool; +using namespace Victor::Mobi; + + +/** + * Default d0 value: 4 as specified in "Mobi Methods" documentation + */ +double const DEF_D0 = 4; +/** + * Default atom: Alpha Carbon + */ +AtomCode const DEF_ATOM = CA; + +void MobiMethods::avgScaledDistance(){} + +void MobiMethods::scaledDistance(vector& sd, Spacer& mod, Spacer& ref, AtomCode atom, double d0){ + sd.clear(); + if (ref.size() != mod.size()) + ERROR("Reference protein spacer has a different number of Amino",exception); + for (unsigned int i = 0; i < ref.size(); i++){ //foreach Amino + if (ref.getAmino(i).getType() != mod.getAmino(i).getType()) + ERROR("Reference protein Aminos are not compatible",exception); + Atom mAtom = mod.getAmino(i).getAtom((unsigned int)atom); + Atom refAtom = ref.getAmino(i).getAtom((unsigned int)atom); + + double dist; + dist = sqrt(pow(mAtom.getCoords().x - refAtom.getCoords().x,2.0) + + pow(mAtom.getCoords().y - refAtom.getCoords().y,2.0) + + pow(mAtom.getCoords().z - refAtom.getCoords().z,2.0) + ); + sd.insert(sd.end(), dist); + } +} diff --git a/Mobi/Sources/Results.cc b/Mobi/Sources/Results.cc deleted file mode 100644 index a0ee309..0000000 --- a/Mobi/Sources/Results.cc +++ /dev/null @@ -1,59 +0,0 @@ -/* - * MobiMethods.cc - * - * Created on: 09/giu/2015 - * Author: luca - */ - -#include -#include -#include -#include - -using namespace Victor::Biopool; -using namespace Victor::Mobi; - -double const DEF_D0 = 4; -//AtomCode const DEF_ATOM = CA; - -/** - * Get Scale Distance between two models - * @param sd (vector&) output vector - * @param mod (Spacer&) model structure - * @param ref (Spacer&) reference structure - * @param atoms (vector&) names of the atoms to consider, default value is used if not specified - * @param d0 (double) normalization parameter, default value is used if not specified - */ -void scaledDistance(vector& sd, Spacer& mod, Spacer& ref, AtomCode atom, double d0){ - sd.clear(); - if (ref.size() != mod.size()) - ERROR("Reference protein spacer has a different number of Amino",exception); - for (unsigned int i = 0; i < ref.size(); i++){ //foreach Amino - if (ref.getAmino(i).getType() != mod.getAmino(i).getType()) - ERROR("Reference protein Aminos are not compatible",exception); - Atom mAtom = mod.getAmino(i).getAtom((unsigned int)atom); - Atom refAtom = ref.getAmino(i).getAtom((unsigned int)atom); - - double dist; - dist = sqrt(pow(mAtom.getCoords().x - refAtom.getCoords().x,2.0) - + pow(mAtom.getCoords().y - refAtom.getCoords().y,2.0) - + pow(mAtom.getCoords().z - refAtom.getCoords().z,2.0) - ); - sd.insert(sd.end(), dist); - } -} - -/** - * Calculates the mean Scaled Distance by calculating the mean of all - * the distance between pair of aligned models. - * @param mean (vector *) pointer to output vector - */ -void Results::meanSD(vector *mean){ - mean = new vector(this->modelsSize()); - std::map >::const_iterator it; - for (it = this->results->begin(); it != this->results->end(); ++it) - for (unsigned int a = 0; a < this->modelsSize(); a++) - (*mean)[a] += it->second[a]; - for (unsigned int a = 0; a < this->modelsSize(); a++) - (*mean)[a] /= this->size(); -} diff --git a/Mobi/Sources/Results.h b/Mobi/Sources/Results.h deleted file mode 100644 index 52e87a0..0000000 --- a/Mobi/Sources/Results.h +++ /dev/null @@ -1,69 +0,0 @@ - -#ifndef MOBI_SOURCES_RESULTS_H_ -#define MOBI_SOURCES_RESULTS_H_ - -#include -#include -#include -#include -#include -#include -using namespace Victor::Biopool; - -extern const double DEF_D0; -extern const AtomCode DEF_ATOM; -//extern double psi; - -namespace Victor { namespace Mobi { - -void scaledDistance(vector& sd, Spacer& mod, Spacer& ref, AtomCode atom = CA, double d0 = 4); -//void avgScaledDistance(); - -/** - * @brief Class used to manage collections of Mobility results - */ -class Results{ - -public: - Results(){ - this->results = new std::map >(); - } - - void addResult(int id, std::vector& result){ - if (size() > 0) - if (result.size() != modelsSize()) - ERROR("Trying to add a result of non compatible size",exception); - results->insert(std::make_pair(id,result)); - result.size(); - } - - void getResult(vector& res, int id){ - std::map >::const_iterator it = this->results->find(id); - if (it != this->results->end()) - res = it->second; - } - - unsigned int modelsSize(){ - if (size() < 1) - ERROR("Cannot get model lenght, since there are no models in this SDResult object",exception); - return this->results->begin()->second.size(); - } - - unsigned int size(){ - return this->results->size(); - } - - std::map >::const_iterator iterator(){ - return this->results->begin(); - } - - void meanSD(vector *res); - -private: - std::map > *results; -}; - - -}} //namespaces - -#endif /* MOBI_SOURCES_RESULTS_H_ */ diff --git a/Mobi/Sources/VectorCollection.h b/Mobi/Sources/VectorCollection.h new file mode 100644 index 0000000..3e4b4f9 --- /dev/null +++ b/Mobi/Sources/VectorCollection.h @@ -0,0 +1,127 @@ + +#ifndef MOBI_SOURCES_VECTORCOLLECTION_H_ +#define MOBI_SOURCES_VECTORCOLLECTION_H_ + +#include +#include +#include +#include +#include +#include +#include +using namespace Victor::Biopool; + +//extern double psi; + +namespace Victor { namespace Mobi { + +/** + * @brief Class used to manage collections of Mobility results. + * We use this class to process vectors of doubles resulting from mobility operations, + * like scaled distance values. This class provides also methods to calculate means and std deviations + * for corresponding (same position) values in different vectors.\n + * \b Attention : all vectors must have the same dimension, the first value added to the collection + * determines the length of all vectors. + */ +class VectorCollection{ + +public: + /** + * Default constructor + */ + VectorCollection(){ + this->results = new std::map >(); + } + + /** + * Add values (for example scaled distance vector) to this collection + * @param id (int) values id + * @param result (vector&) vector of values + */ + void addValue(int id, std::vector& result){ + if (size() > 0) + if (result.size() != vectorsSize()) + ERROR("Trying to add a result of non compatible size",exception); + results->insert(std::make_pair(id,result)); + result.size(); + } + + /** + * Return values given the id + * @param id (int) id to search + * @return (vector&) values, if found + */ + vector getValue(int id){ + std::map >::const_iterator it = this->results->find(id); + if (it != this->results->end()) + return it->second; + else + ERROR("Unable to find values with given id",exception); + return vector(); //never reached, just to hide warnings + } + + /** + * Returns the length of vectors in this collection + * @return (unsigned int) length + */ + unsigned int vectorsSize(){ + if (size() < 1) + ERROR("Cannot get model lenght, since there are no models in this SDResult object",exception); + return this->results->begin()->second.size(); + } + + /** + * Returns the size of this collection + * @return (unsigned int) size + */ + unsigned int size(){ + return this->results->size(); + } + + /** + * Read-Only Iterator to this collection + * @return (map::>::iterator) iterator + */ + std::map >::const_iterator iterator(){ + return this->results->begin(); + } + + /** + * Calculates the means of values in same position in the vectors + * @return (vector) means + */ + vector mean(){ + vector mean = vector(this->vectorsSize(),0.0); + std::map >::const_iterator it; + for (it = this->results->begin(); it != this->results->end(); ++it) + for (unsigned int a = 0; a < this->vectorsSize(); a++) + mean[a] += it->second[a]; + for (unsigned int a = 0; a < this->vectorsSize(); a++) + mean[a] /= this->size(); + return mean; + } + + /** + * Calculates the standard deviation of values in same position in the vectors + * @return (vector) standard deviations + */ + vector stdDev(){ + vector mean = this->mean(); + vector sd = vector(this->vectorsSize(),0.0); + std::map >::const_iterator it; + for (it = this->results->begin(); it != this->results->end(); ++it) + for (unsigned int a = 0; a < this->vectorsSize(); a++) + sd[a] += pow(it->second[a] - mean[a],2); + for (unsigned int a = 0; a < this->vectorsSize(); a++) + sd[a] = sqrt(sd[a] / this->size()); + return sd; + } + +protected: + std::map > *results; +}; + + +}} //namespaces + +#endif /* MOBI_SOURCES_VECTORCOLLECTION_H_ */ diff --git a/Mobi/Tests/Makefile b/Mobi/Tests/Makefile index 9c4e904..13acb4d 100644 --- a/Mobi/Tests/Makefile +++ b/Mobi/Tests/Makefile @@ -26,7 +26,7 @@ INC_PATH = -I. -I../../tools/ -I../../Biopool/Sources -I../../Mobi/Sources # Objects and headers # -SOURCES = TestMobi.cc TestResults.h +SOURCES = TestMobi.cc TestVectorCollection.h OBJECTS = $(SOURCES:.cpp=.o) diff --git a/Mobi/Tests/TestMobi.cc b/Mobi/Tests/TestMobi.cc index 2e3980b..959c7b3 100644 --- a/Mobi/Tests/TestMobi.cc +++ b/Mobi/Tests/TestMobi.cc @@ -9,7 +9,7 @@ #include #include -#include "TestResults.h" +#include "TestVectorCollection.h" using namespace std; @@ -17,7 +17,7 @@ int main() { CppUnit::TextUi::TestRunner runner; cout << "Creating Test Suites:" << endl; - runner.addTest(TestResults::suite()); + runner.addTest(TestVectorCollection::suite()); cout<< "Running the unit tests."< -#include -#include -#include -#include -#include - -#include -#include -#include - -using namespace std; -using namespace Victor::Mobi; - -class TestResults : public CppUnit::TestFixture { - -public: - - TestResults(){} - - virtual ~TestResults(){} - - static CppUnit::Test *suite() { - CppUnit::TestSuite *suiteOfTests = new CppUnit::TestSuite("TestResults"); - - suiteOfTests->addTest(new CppUnit::TestCaller("Test1 - Populate the results map", - &TestResults::testSDPopulation)); - - suiteOfTests->addTest(new CppUnit::TestCaller("Test2 - Calculate scaled distance mean", - &TestResults::testSDMean)); - - suiteOfTests->addTest(new CppUnit::TestCaller("Test3 - Calculate scaled distance standard deviation", - &TestResults::testSDSD)); - - return suiteOfTests; - } - - void setUp(){} - - void tearDown(){} - -protected: - - void testSDPopulation(){ - Results sdr = Results(); - fillWith3Results10(sdr); - CPPUNIT_ASSERT(sdr.size() == 3); - CPPUNIT_ASSERT(sdr.modelsSize() == 10); - } - - void testSDMean(){ - Results sdr = Results(); - fillWith3Results10(sdr); - vector *mean = new vector(10); - sdr.meanSD(mean); - for (unsigned int i = 0; i < 10; i++) - CPPUNIT_ASSERT((*mean)[i] == i+3); - } - - void testSDSD(){ - CPPUNIT_ASSERT(true); - } - -private: - - void fillWith3Results10(Results& sdr){ - unsigned int modelLen = 10; - vector *v1 = new vector(modelLen); - vector *v2 = new vector(modelLen); - vector *v3 = new vector(modelLen); - for (unsigned int i = 0; i < modelLen; i++){ - (*v1)[i] = i; - (*v2)[i] = i+1; - (*v3)[i] = i+2; - } - sdr.addResult(1,*v1); - sdr.addResult(2,*v2); - sdr.addResult(3,*v3); - } -}; - - - -#endif /* MOBI_TESTS_TESTRESULTS_H_ */ diff --git a/Mobi/Tests/TestVectorCollection.h b/Mobi/Tests/TestVectorCollection.h new file mode 100644 index 0000000..46c0c9d --- /dev/null +++ b/Mobi/Tests/TestVectorCollection.h @@ -0,0 +1,116 @@ +/* + * TestSDResults.h + * + * Created on: 17/giu/2015 + * Author: luca + */ + +#ifndef MOBI_TESTS_TESTVECTORCOLLECTION_H_ +#define MOBI_TESTS_TESTVECTORCOLLECTION_H_ + + +#include +#include +#include +#include +#include +#include + +#include +#include +#include "../Sources/VectorCollection.h" + +using namespace std; +using namespace Victor::Mobi; + +class TestVectorCollection : public CppUnit::TestFixture { + +public: + + TestVectorCollection(){} + + virtual ~TestVectorCollection(){} + + static CppUnit::Test *suite() { + CppUnit::TestSuite *suiteOfTests = new CppUnit::TestSuite("TestResults"); + + suiteOfTests->addTest(new CppUnit::TestCaller("Test1 - Populate the map", + &TestVectorCollection::testPopulation)); + + suiteOfTests->addTest(new CppUnit::TestCaller("Test2 - Calculate means", + &TestVectorCollection::testMeanSD)); + + suiteOfTests->addTest(new CppUnit::TestCaller("Test3 - Calculate standard deviation", + &TestVectorCollection::testSD)); + + return suiteOfTests; + } + + void setUp(){} + + void tearDown(){} + +protected: + + void testPopulation(){ + VectorCollection sdr = VectorCollection(); + cout << endl << ">>>\tTestVectorCollection >>> test Population\nPopulating collection..." << endl; + fillWith3Results10(sdr); + CPPUNIT_ASSERT(sdr.size() == 3); + CPPUNIT_ASSERT(sdr.vectorsSize() == 10); + cout << "Correctly populated!" << endl; + std::map >::const_iterator it = sdr.iterator(); + CPPUNIT_ASSERT(it->second[5] == 5); + it++; + CPPUNIT_ASSERT(it->second[5] == 6); + it++; + CPPUNIT_ASSERT(it->second[5] == 7); + cout << "Correctly retrieved!" << endl; + } + + void testMeanSD(){ + cout << endl << ">>>\tTestVectorCollection >>> test Mean & SD calculation\nPopulating collection..." << endl; + VectorCollection sdr = VectorCollection(); + fillWith3Results10(sdr); + vector mean = sdr.mean(); + for (unsigned int i = 0; i < 10; i++) + CPPUNIT_ASSERT(mean[i] == i+1); + cout << "Mean calculation correct!" << endl; + + vector sd = sdr.stdDev(); + for (unsigned int i = 0; i < 10; i++) + CPPUNIT_ASSERT(sd[i] > 0.816496 && sd[i] < 0.816498); + cout << "Standard deviation calculation correct!" << endl; + } + + void testSD(){ + cout << endl << ">>>\tTestVectorCollection >>> test deviation calculation\nPopulating collection..." << endl; + VectorCollection sdr = VectorCollection(); + fillWith3Results10(sdr); + vector sd = sdr.stdDev(); + for (unsigned int i = 0; i < 10; i++) + CPPUNIT_ASSERT(sd[i] > 0.816496 && sd[i] < 0.816498); + + } + +private: + + void fillWith3Results10(VectorCollection& sdr){ + unsigned int modelLen = 10; + vector *v1 = new vector(modelLen); + vector *v2 = new vector(modelLen); + vector *v3 = new vector(modelLen); + for (unsigned int i = 0; i < modelLen; i++){ + (*v1)[i] = i; + (*v2)[i] = i+1; + (*v3)[i] = i+2; + } + sdr.addValue(1,*v1); + sdr.addValue(2,*v2); + sdr.addValue(3,*v3); + } +}; + + + +#endif /* MOBI_TESTS_TESTVECTORCOLLECTION_H_ */ diff --git a/tools/Debug.h b/tools/Debug.h index f78a8fc..207fc4f 100644 --- a/tools/Debug.h +++ b/tools/Debug.h @@ -151,8 +151,7 @@ class ObjectTrace { #define PRECOND(a, b) #define POSTCOND(a, b) #define INVARIANT(a, b) -#define DEBUG_MSG(aString) V1OUT << "DEBUG_MSG(off): " << (aString) << endl -//#define DEBUG_MSG(a) +#define DEBUG_MSG(a) #define DEBUG_BREAK(a, b) #define DEBUG_TRACE #define DUMP(a) From 16b11498e0dc3ba19a366273aa39d426606ea274 Mon Sep 17 00:00:00 2001 From: LucaDemo Date: Fri, 19 Jun 2015 00:05:47 +0200 Subject: [PATCH 10/25] .gitignore --- .gitignore | 5 ++++ Mobi/APPS/Mobi.o | Bin 59000 -> 0 bytes Mobi/Sources/MobiMethods.h | 46 ++++++++++++++++++++++++++++++++++++ Mobi/Sources/ProteinModel.o | Bin 10544 -> 0 bytes Mobi/Sources/TMScoreBin.o | Bin 33392 -> 0 bytes 5 files changed, 51 insertions(+) delete mode 100644 Mobi/APPS/Mobi.o create mode 100644 Mobi/Sources/MobiMethods.h delete mode 100644 Mobi/Sources/ProteinModel.o delete mode 100644 Mobi/Sources/TMScoreBin.o diff --git a/.gitignore b/.gitignore index 1c684a0..091430b 100644 --- a/.gitignore +++ b/.gitignore @@ -1,4 +1,5 @@ .gitignore_bkp +.settings/ nbproject/ html/ latex/ @@ -38,6 +39,10 @@ Lobo/Sources/*.o Lobo/Sources/*.a Lobo/Tests/*.a Lobo/Tests/*.o +Mobi/Sources/*.o +Mobi/Sources/*.a +Mobi/Tests/*.a +Mobi/Tests/*.o tools/*.o tools/*.a 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+public: + + /** + * Calulates the average Scaled distance of this results + */ + static void avgScaledDistance(); + + + /** + * Calculate the scaled distance given two spacers (previously superimposed with TMScore) + * @param sd (vector&) reference to sd output vector + * @param mod (Spacer&) model spacer + * @param ref (Spacer&) reference spacer + * @param atom (AtomCode) atom to base distance calculation on, default atom if not specified + * @param d0 (double) d0 normalization value, default value if not specified + */ + static void scaledDistance(vector& sd, Spacer& mod, Spacer& ref, AtomCode atom, double d0); +}; + +}} + + +#endif /* MOBI_SOURCES_MOBIMETHODS_H_ */ diff --git a/Mobi/Sources/ProteinModel.o b/Mobi/Sources/ProteinModel.o deleted file mode 100644 index d13269e51f2c80dfdbcc1d63c605c4c6f9528396..0000000000000000000000000000000000000000 GIT binary patch literal 0 HcmV?d00001 literal 10544 zcmb_h3ve69c|H=P1w8^lc9YPtYF!+}ks=!fBuXZwOoku{=^%nKO^}h|*u8?lQG$h6 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zBEk&q$C!etT;Lq@5uZ;u%i$Qu|DF!s=DiuxZ*b9n4M9lTg?udXcbJd4=y@OimY|pM G Date: Sat, 20 Jun 2015 01:05:27 +0200 Subject: [PATCH 11/25] Trying to fix load problem in superimposed pdb --- .gitignore | 1 + Mobi/APPS/Mobi.cc | 10 +- Mobi/Sources/ProteinModel.cc | 33 +- Mobi/Sources/ProteinModel.h | 3 +- Mobi/Sources/TMScoreBin.cc | 17 +- Mobi/Sources/TMScoreBin.h | 10 +- Mobi/Sources/VectorCollection.h | 2 +- Mobi/Tests/TestMobi.cc | 6 +- Mobi/Tests/TestProteinModel.h | 72 + Mobi/Tests/TestTM.h | 94 + Mobi/Tests/data/1AB2_input.pdb | 34283 ++++++++++++++++++++++++++++++ Mobi/Tests/data/TMScore | Bin 0 -> 1015181 bytes 12 files changed, 34504 insertions(+), 27 deletions(-) create mode 100644 Mobi/Tests/TestProteinModel.h create mode 100644 Mobi/Tests/TestTM.h create mode 100644 Mobi/Tests/data/1AB2_input.pdb create mode 100755 Mobi/Tests/data/TMScore diff --git a/.gitignore b/.gitignore index 091430b..3e0bf84 100644 --- a/.gitignore +++ b/.gitignore @@ -43,6 +43,7 @@ Mobi/Sources/*.o Mobi/Sources/*.a Mobi/Tests/*.a Mobi/Tests/*.o +Mobi/Tests/data/*.tmp* tools/*.o tools/*.a tools/Depend diff --git a/Mobi/APPS/Mobi.cc b/Mobi/APPS/Mobi.cc index b83dd46..0fbf0f6 100644 --- a/Mobi/APPS/Mobi.cc +++ b/Mobi/APPS/Mobi.cc @@ -120,8 +120,14 @@ int main(int argc, char* argv[]) { models = vector(); models.push_back(3); models.push_back(1); + models.push_back(4); + models.push_back(6); + models.push_back(5); + models.push_back(8); + models.push_back(7); + models.push_back(2); //models.push_back(3); - prot.load(pl,models); + prot.load(pl,0,models); /* @@ -136,7 +142,7 @@ int main(int argc, char* argv[]) { */ TMScoreBin tm("TMScore","."); Spacer sss; - cout << "TM-score = " << tm.tms(prot, 0, 1, sss); + //cout << "TM-score = " << tm.tms(prot, 0, 1, sss); //dtf diff --git a/Mobi/Sources/ProteinModel.cc b/Mobi/Sources/ProteinModel.cc index 0b66e56..d1293ca 100644 --- a/Mobi/Sources/ProteinModel.cc +++ b/Mobi/Sources/ProteinModel.cc @@ -28,27 +28,36 @@ using namespace Victor::Mobi; using namespace Victor::Biopool; /** - * Load Pdb data into Protein object with the specified model + * Load Pdb data into Protein object. The specified models are loaded. + * There is no direct correlation between models id in pdb file and model + * index inside protein object. Index inside protein depends on the order + * in which the models are loaded. * * @param pl (PdbLoader&) reference to the PdbLoader to load from - * @param chain (char) name of the chain to load, * = first chain (default) - * @param model (unsigned int) model to load, 0 = all models (default) + * @param chain (char) name of the chain to load, 0 = first chain (default) + * @param model (vector) models to load (accordind to pdb file model names), */ -void ProteinModel::load(PdbLoader& pl, vector models){ - /*for(unsigned int i = 0; i < models.size(); i++){ //for debug - cout << models[i] << endl; - pl.setModel(models[i]); - pl.checkModel(); - this->Protein::load(pl); - cout << this->sizeProtein() << endl; - cout << this->getSpacer((unsigned int) 0)->getType() << endl; - }*/ +void ProteinModel::load(PdbLoader& pl, char chain, vector models){ + cout << "Loading protein models..." <>>model#" << models[i] << endl; pl.setModel(models[i]); pl.checkModel(); this->Protein::load(pl); } +} +void ProteinModel::load(PdbLoader& pl){ + for(unsigned int i = 1; i+1 < pl.getMaxModels(); i++){ + cout << "\t>>>model#" << i << endl; + pl.setModel(i); + pl.checkModel(); + this->Protein::load(pl); + } } /** diff --git a/Mobi/Sources/ProteinModel.h b/Mobi/Sources/ProteinModel.h index 4223495..2b95f6c 100644 --- a/Mobi/Sources/ProteinModel.h +++ b/Mobi/Sources/ProteinModel.h @@ -40,7 +40,8 @@ namespace Victor { namespace Mobi { ProteinModel(const Protein& _orig) : Protein(_orig){}; - void load(PdbLoader& pl, vector models); + void load(PdbLoader& pl, char chain, vector models); + void load(PdbLoader& pl); Spacer& getModel(unsigned int _model); void SD(vector& sd, ProteinModel& ref, AtomCode atom, double d0 = 4); void SD(vector& sd, Spacer& ref, AtomCode atom, double d0 = 4); diff --git a/Mobi/Sources/TMScoreBin.cc b/Mobi/Sources/TMScoreBin.cc index 3453fef..cb8652a 100644 --- a/Mobi/Sources/TMScoreBin.cc +++ b/Mobi/Sources/TMScoreBin.cc @@ -38,7 +38,7 @@ string TMTMP_IN1 = "tmin1.pdb.tmp"; string TMTMP_IN2 = "tmin2.pdb.tmp"; string TMTMP_OUT = "tmout.pdb.tmp"; -double TMScoreBin::tms(ProteinModel& prot, unsigned int model, unsigned int native, Spacer& imposedModel){ +double TMScoreBin::tms(ProteinModel& prot, unsigned int model, unsigned int native, Spacer** imposedModel){ std::stringstream sstm; sstm << "TMScore between models " << model << " and " << native; @@ -47,20 +47,20 @@ double TMScoreBin::tms(ProteinModel& prot, unsigned int model, unsigned int nati //Save spacers in pdb files std::ofstream fout; PdbSaver ps(fout); - fout.open(TMTMP_IN1.c_str()); + fout.open((tmp + TMTMP_IN1).c_str()); ps.saveSpacer(prot.getModel(model)); ps.endFile(); fout.close(); - fout.open(TMTMP_IN2.c_str()); + fout.open((tmp + TMTMP_IN2).c_str()); ps.saveSpacer(prot.getModel(native)); ps.endFile(); fout.close(); //Call TMScore binary - return tms(TMTMP_IN1, TMTMP_IN2, imposedModel); + return tms((tmp + TMTMP_IN1), (tmp + TMTMP_IN2), imposedModel); } -double TMScoreBin::tms(string modelFile, string nativeFile, Spacer& imposedModel){ +double TMScoreBin::tms(string modelFile, string nativeFile, Spacer** imposedModel){ if (access(modelFile.c_str(), R_OK) == 0 && access(nativeFile.c_str(), R_OK) == 0){ if(access(binary.c_str(), X_OK) == 0){ pid_t pid; @@ -77,9 +77,10 @@ double TMScoreBin::tms(string modelFile, string nativeFile, Spacer& imposedModel dup2(pipefd[1],1); //stdout dup2(pipefd[1],2); //stderr close(pipefd[1]); - if (execl(binary.c_str(),binary.c_str(), modelFile.c_str(),nativeFile.c_str(), NULL)) + if (execl(binary.c_str(),binary.c_str(), modelFile.c_str(),nativeFile.c_str(), "-o" , (tmp + TMTMP_OUT).c_str(),NULL)) ERROR("Unable to exec",error); } else{ + //Read output from child pipe char buffer[2048]; if (read(pipefd[0],buffer, sizeof(buffer)) > 0){ char * tok; @@ -91,7 +92,7 @@ double TMScoreBin::tms(string modelFile, string nativeFile, Spacer& imposedModel tok = strtok(NULL,"\n\r"); } } - ERROR("TM-score failed or non reconized output", exception) + ERROR("TM-score failed or non recognised output", exception) } } } @@ -101,6 +102,8 @@ double TMScoreBin::tms(string modelFile, string nativeFile, Spacer& imposedModel else ERROR("No access to pdb files " + modelFile + " or " + nativeFile, exception); + + return 0; } diff --git a/Mobi/Sources/TMScoreBin.h b/Mobi/Sources/TMScoreBin.h index e004272..eaaa18d 100644 --- a/Mobi/Sources/TMScoreBin.h +++ b/Mobi/Sources/TMScoreBin.h @@ -9,6 +9,7 @@ #define MOBI_SOURCES_TMSCOREBIN_H_ #include +#include using namespace Victor::Biopool; @@ -31,11 +32,14 @@ namespace Victor { namespace Mobi { * @param _binary (string) full path to binary TMScore file, must have execution permission * @param _tmp (string) full path to temp dir, must have write permission */ - TMScoreBin(std::string _binary = "TMScore", std::string _tmp = ".") : binary(_binary), tmp(_tmp){}; + TMScoreBin(std::string _binary = "TMScore", std::string _tmp = ".") : + binary(_binary), + tmp(_tmp.substr(_tmp.length()-1,1) == "/" ? _tmp : _tmp + "/") + {}; - virtual double tms(string modelFile, string nativeFile, Spacer& imposedModel); - virtual double tms(ProteinModel& prot, unsigned int model, unsigned int native, Spacer& imposedModel); + virtual double tms(string modelFile, string nativeFile, Spacer** imposedModel); + virtual double tms(ProteinModel& prot, unsigned int model, unsigned int native, Spacer** imposedModel); virtual ~TMScoreBin(){}; diff --git a/Mobi/Sources/VectorCollection.h b/Mobi/Sources/VectorCollection.h index 3e4b4f9..3bffc10 100644 --- a/Mobi/Sources/VectorCollection.h +++ b/Mobi/Sources/VectorCollection.h @@ -114,7 +114,7 @@ class VectorCollection{ sd[a] += pow(it->second[a] - mean[a],2); for (unsigned int a = 0; a < this->vectorsSize(); a++) sd[a] = sqrt(sd[a] / this->size()); - return sd; + return mean; } protected: diff --git a/Mobi/Tests/TestMobi.cc b/Mobi/Tests/TestMobi.cc index 959c7b3..ed84244 100644 --- a/Mobi/Tests/TestMobi.cc +++ b/Mobi/Tests/TestMobi.cc @@ -9,7 +9,9 @@ #include #include -#include "TestVectorCollection.h" +#include +#include +#include using namespace std; @@ -18,6 +20,8 @@ int main() { cout << "Creating Test Suites:" << endl; runner.addTest(TestVectorCollection::suite()); + runner.addTest(TestProteinModel::suite()); + runner.addTest(TestTM::suite()); cout<< "Running the unit tests."< +#include +#include +#include +#include +#include + +#include +#include +#include + +using namespace std; +using namespace Victor::Mobi; + +class TestProteinModel : public CppUnit::TestFixture { + +public: + + TestProteinModel(){} + + virtual ~TestProteinModel(){} + + static CppUnit::Test *suite() { + CppUnit::TestSuite *suiteOfTests = new CppUnit::TestSuite("TestProteinModel"); + + suiteOfTests->addTest(new CppUnit::TestCaller("Test2 - Load and Get models", + &TestProteinModel::testLoadAndGet)); + + return suiteOfTests; + } + + void setUp(){} + + void tearDown(){} + +protected: + + void testLoadAndGet(){ + cout << endl << ">>>\tTestProteinModel >>> test Load and Get models" << endl; + string path = getenv("VICTOR_ROOT"); + string inputFile = path + "Mobi/Tests/data/1AB2_input.pdb"; + ifstream inFile(inputFile.c_str()); + if (!inFile) + ERROR("Input file not found.", exception); + + PdbLoader pl(inFile); + //pl.setNoVerbose(); + ProteinModel prot = ProteinModel(); + vector models = vector(); + models.push_back(1); + models.push_back(4); + models.push_back(6); + cout << "Loading models 1, 4 and 6" << endl; + prot.load(pl,0,models); + cout << "Getting models back" << endl; + CPPUNIT_ASSERT(prot.size() == 3); + Spacer m1 = prot.getModel(0); + Spacer m2 = prot.getModel(1); + Spacer m3 = prot.getModel(2); + CPPUNIT_ASSERT(m1.getAmino(0).getType() == "GLY"); + CPPUNIT_ASSERT(m2.getAmino(1).getType() == "SER"); + CPPUNIT_ASSERT(m3.getAmino(2).getType() == "GLY"); + cout << "All fine!" << endl; + } +}; diff --git a/Mobi/Tests/TestTM.h b/Mobi/Tests/TestTM.h new file mode 100644 index 0000000..1b4aa09 --- /dev/null +++ b/Mobi/Tests/TestTM.h @@ -0,0 +1,94 @@ +/* + * TestTM.h + * + * Created on: 19/giu/2015 + * Author: luca + */ + +#include +#include +#include +#include +#include +#include + +#include +#include +#include + +using namespace std; +using namespace Victor::Mobi; + +class TestTM : public CppUnit::TestFixture { + +public: + + TestTM(){} + + virtual ~TestTM(){} + + static CppUnit::Test *suite() { + CppUnit::TestSuite *suiteOfTests = new CppUnit::TestSuite("TestTM"); + + suiteOfTests->addTest(new CppUnit::TestCaller("Test1 - TM Score", + &TestTM::testLoadAndGet)); + + return suiteOfTests; + } + + void setUp(){} + + void tearDown(){} + +protected: + + void testLoadAndGet(){ + cout << endl << ">>>\tTestTM >>> test TM binary call" << endl; + string path = getenv("VICTOR_ROOT"); + string inputFile = path + "Mobi/Tests/data/1AB2_input.pdb"; + string TMDir = path + "Mobi/Tests/data/"; + ifstream inFile(inputFile.c_str()); + if (!inFile) + ERROR("Input file not found.", exception); + + PdbLoader pl(inFile); + pl.setNoVerbose(); + ProteinModel prot; + vector models = vector(); + models.push_back(1); + models.push_back(2); + cout << "Loading models 1 and 2" << endl; + prot.load(pl,0,models); + cout << "TM Score binary call" << endl; + TMScoreBin tmsb = TMScoreBin(TMDir+"TMScore", TMDir); + Spacer* sp; +// double score = tmsb.tms(prot,0,1,&sp); +// cout << "Score is " << score << endl; +// CPPUNIT_ASSERT(score > 0 && score < 1); + + ifstream outFile((TMDir + TMTMP_OUT + "_atm").c_str()); + //while (outFile) + // cout << readLine(outFile); + + + PdbLoader pl2(outFile); + cout << pl2.getMaxModels() << " models" << endl; + pl2.setModel(2); + pl2.checkModel(); + ProteinModel prot2; + models.clear(); + models.push_back(2); + prot2.load(pl2); + +// CPPUNIT_ASSERT(prot.size() == 3); +// Spacer m1 = prot.getModel(0); +// Spacer m2 = prot.getModel(1); +// Spacer m3 = prot.getModel(2); +// CPPUNIT_ASSERT(m1.getAmino(0).getType() == "GLY"); +// CPPUNIT_ASSERT(m2.getAmino(1).getType() == "SER"); +// CPPUNIT_ASSERT(m3.getAmino(2).getType() == "GLY"); +// cout << "All fine!" << endl; + } +}; + + diff --git a/Mobi/Tests/data/1AB2_input.pdb b/Mobi/Tests/data/1AB2_input.pdb new file mode 100644 index 0000000..1f86543 --- /dev/null +++ b/Mobi/Tests/data/1AB2_input.pdb @@ -0,0 +1,34283 @@ +************************* +************************* +HEADER TRANSFERASE(PHOSPHOTRANSFERASE) 19-JUL-93 1AB2 +TITLE THREE-DIMENSIONAL SOLUTION STRUCTURE OF THE SRC HOMOLOGY 2 +TITLE 2 DOMAIN OF C-ABL +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: C-ABL TYROSINE KINASE SH2 DOMAIN; +COMPND 3 CHAIN: A; +COMPND 4 EC: 2.7.1.112; +COMPND 5 ENGINEERED: YES +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; +SOURCE 3 ORGANISM_COMMON: HUMAN; +SOURCE 4 ORGANISM_TAXID: 9606 +KEYWDS TRANSFERASE(PHOSPHOTRANSFERASE) +EXPDTA SOLUTION NMR +NUMMDL 20 +AUTHOR M.OVERDUIN,C.B.RIOS,B.J.MAYER,D.BALTIMORE,D.COWBURN +REVDAT 2 24-FEB-09 1AB2 1 VERSN +REVDAT 1 31-JAN-94 1AB2 0 +JRNL AUTH M.OVERDUIN,C.B.RIOS,B.J.MAYER,D.BALTIMORE,D.COWBURN +JRNL TITL THREE-DIMENSIONAL SOLUTION STRUCTURE OF THE SRC +JRNL TITL 2 HOMOLOGY 2 DOMAIN OF C-ABL. +JRNL REF CELL(CAMBRIDGE,MASS.) V. 70 697 1992 +JRNL REFN ISSN 0092-8674 +JRNL PMID 1505033 +JRNL DOI 10.1016/0092-8674(92)90437-H +REMARK 1 +REMARK 1 REFERENCE 1 +REMARK 1 AUTH M.OVERDUIN,B.MAYER,C.B.RIOS,D.BALTIMORE,D.COWBURN +REMARK 1 TITL SECONDARY STRUCTURE OF SRC HOMOLOGY 2 DOMAIN OF +REMARK 1 TITL 2 C-ABL BY HETERONUCLEAR NMR SPECTROSCOPY IN SOLUTION +REMARK 1 REF PROC.NATL.ACAD.SCI.USA V. 89 11673 1992 +REMARK 1 REFN ISSN 0027-8424 +REMARK 2 +REMARK 2 RESOLUTION. NOT APPLICABLE. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : NULL +REMARK 3 AUTHORS : NULL +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: NULL +REMARK 4 +REMARK 4 1AB2 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. +REMARK 210 +REMARK 210 EXPERIMENTAL DETAILS +REMARK 210 EXPERIMENT TYPE : NMR +REMARK 210 TEMPERATURE (KELVIN) : NULL +REMARK 210 PH : NULL +REMARK 210 IONIC STRENGTH : NULL +REMARK 210 PRESSURE : NULL +REMARK 210 SAMPLE CONTENTS : NULL +REMARK 210 +REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL +REMARK 210 SPECTROMETER FIELD STRENGTH : NULL +REMARK 210 SPECTROMETER MODEL : NULL +REMARK 210 SPECTROMETER MANUFACTURER : NULL +REMARK 210 +REMARK 210 STRUCTURE DETERMINATION. +REMARK 210 SOFTWARE USED : NULL +REMARK 210 METHOD USED : NULL +REMARK 210 +REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL +REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20 +REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL +REMARK 210 +REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL +REMARK 210 +REMARK 210 REMARK: NULL +REMARK 215 +REMARK 215 NMR STUDY +REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION +REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT +REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON +REMARK 215 THESE RECORDS ARE MEANINGLESS. +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: TORSION ANGLES +REMARK 500 +REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) +REMARK 500 +REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- +REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 +REMARK 500 +REMARK 500 M RES CSSEQI PSI PHI +REMARK 500 1 SER A 5 171.80 54.96 +REMARK 500 1 LYS A 8 -104.31 -57.63 +REMARK 500 1 LEU A 24 -70.95 -55.84 +REMARK 500 1 LEU A 25 106.24 -56.76 +REMARK 500 1 SER A 27 122.94 61.76 +REMARK 500 1 GLU A 37 -165.93 -123.90 +REMARK 500 1 TYR A 51 -156.26 -93.42 +REMARK 500 1 GLU A 52 22.15 -73.65 +REMARK 500 1 ARG A 59 164.18 -42.00 +REMARK 500 1 ASN A 61 124.10 71.60 +REMARK 500 1 SER A 64 34.27 -91.28 +REMARK 500 1 ASP A 65 -54.92 -149.85 +REMARK 500 1 LYS A 67 152.54 -43.54 +REMARK 500 1 SER A 71 -68.50 -94.44 +REMARK 500 1 SER A 72 -26.87 154.52 +REMARK 500 1 ASN A 77 -42.76 -134.97 +REMARK 500 1 ILE A 94 -84.73 -44.44 +REMARK 500 1 LEU A 97 119.92 -36.99 +REMARK 500 1 HIS A 98 -79.49 -102.02 +REMARK 500 1 HIS A 107 129.96 169.04 +REMARK 500 1 ARG A 108 71.87 177.84 +REMARK 500 2 SER A 2 -66.63 66.16 +REMARK 500 2 ASN A 4 -54.37 -152.13 +REMARK 500 2 SER A 5 44.21 -103.46 +REMARK 500 2 LEU A 6 144.44 63.00 +REMARK 500 2 LYS A 8 -98.81 -48.03 +REMARK 500 2 SER A 10 30.33 -82.95 +REMARK 500 2 LEU A 25 86.06 -52.71 +REMARK 500 2 SER A 26 -107.53 28.39 +REMARK 500 2 SER A 27 35.02 175.85 +REMARK 500 2 SER A 40 -36.37 -35.78 +REMARK 500 2 TYR A 51 -144.69 -109.26 +REMARK 500 2 GLU A 52 -80.37 -60.03 +REMARK 500 2 ILE A 60 -121.95 -70.14 +REMARK 500 2 ASN A 61 119.90 167.91 +REMARK 500 2 SER A 64 32.63 36.90 +REMARK 500 2 ASP A 65 -56.23 -138.53 +REMARK 500 2 SER A 71 -84.82 -116.05 +REMARK 500 2 SER A 72 -50.61 176.48 +REMARK 500 2 HIS A 86 9.42 -68.01 +REMARK 500 2 ALA A 90 72.01 -67.69 +REMARK 500 2 ILE A 94 -87.24 -54.74 +REMARK 500 2 THR A 95 -148.67 -78.65 +REMARK 500 2 LEU A 97 132.54 -23.32 +REMARK 500 2 HIS A 98 26.57 -140.24 +REMARK 500 2 TYR A 99 46.59 -153.98 +REMARK 500 2 ILE A 106 -63.10 -94.13 +REMARK 500 2 HIS A 107 59.07 -175.48 +REMARK 500 3 ASN A 4 -93.69 39.90 +REMARK 500 3 LYS A 8 -94.24 -48.17 +REMARK 500 3 LEU A 25 74.17 -66.78 +REMARK 500 3 SER A 27 -89.87 63.95 +REMARK 500 3 TYR A 51 -128.45 -120.00 +REMARK 500 3 ASN A 61 147.07 59.37 +REMARK 500 3 ALA A 63 45.59 -86.78 +REMARK 500 3 SER A 64 33.26 36.76 +REMARK 500 3 ASP A 65 -53.72 -147.31 +REMARK 500 3 SER A 71 -71.53 -107.68 +REMARK 500 3 SER A 72 -52.50 160.63 +REMARK 500 3 ASP A 91 44.31 -78.24 +REMARK 500 3 ILE A 94 -82.44 -45.36 +REMARK 500 3 HIS A 98 -78.44 -136.89 +REMARK 500 3 PRO A 102 -163.46 -74.90 +REMARK 500 3 HIS A 107 25.03 47.20 +REMARK 500 3 ARG A 108 -93.90 39.93 +REMARK 500 4 LYS A 8 -114.41 -58.51 +REMARK 500 4 HIS A 9 -179.21 -68.42 +REMARK 500 4 HIS A 13 -61.17 -122.85 +REMARK 500 4 SER A 26 -90.98 -30.39 +REMARK 500 4 SER A 27 -58.82 -173.48 +REMARK 500 4 SER A 38 -175.07 -56.74 +REMARK 500 4 GLU A 39 -127.80 -81.80 +REMARK 500 4 SER A 40 81.87 -69.26 +REMARK 500 4 TYR A 51 -158.73 -113.24 +REMARK 500 4 GLU A 52 50.80 -68.53 +REMARK 500 4 ALA A 63 -125.44 -68.29 +REMARK 500 4 SER A 64 -70.01 -56.15 +REMARK 500 4 ASP A 65 56.01 -160.97 +REMARK 500 4 LYS A 67 153.74 -41.99 +REMARK 500 4 SER A 71 -104.48 -105.08 +REMARK 500 4 SER A 72 -56.25 -144.77 +REMARK 500 4 GLU A 81 -31.45 -38.92 +REMARK 500 4 VAL A 89 79.18 -119.82 +REMARK 500 4 ILE A 94 -84.56 -52.09 +REMARK 500 4 LEU A 97 142.94 -31.82 +REMARK 500 4 HIS A 98 -52.66 -127.25 +REMARK 500 4 ALA A 101 98.37 -38.06 +REMARK 500 4 ILE A 106 -66.73 -135.42 +REMARK 500 4 HIS A 107 -37.58 161.49 +REMARK 500 4 ARG A 108 115.33 -38.75 +REMARK 500 5 SER A 2 140.34 63.29 +REMARK 500 5 ASN A 4 -68.03 67.41 +REMARK 500 5 SER A 5 167.63 -46.89 +REMARK 500 5 LEU A 6 111.53 87.73 +REMARK 500 5 LYS A 8 -118.00 -61.30 +REMARK 500 5 ALA A 21 -70.64 -48.34 +REMARK 500 5 TYR A 23 -70.89 -61.03 +REMARK 500 5 SER A 26 31.80 -167.56 +REMARK 500 5 SER A 27 95.37 -174.92 +REMARK 500 5 SER A 40 -24.95 165.71 +REMARK 500 5 TYR A 51 -167.63 -111.00 +REMARK 500 5 GLU A 52 66.80 -67.50 +REMARK 500 5 ILE A 60 -111.00 -78.46 +REMARK 500 5 ASN A 61 149.91 154.31 +REMARK 500 5 ILE A 94 -90.12 -44.01 +REMARK 500 5 THR A 95 -147.36 -82.25 +REMARK 500 5 LEU A 97 146.60 -34.25 +REMARK 500 5 HIS A 98 -83.43 -101.71 +REMARK 500 5 PRO A 100 47.87 -75.01 +REMARK 500 5 ALA A 101 163.35 -44.60 +REMARK 500 5 ARG A 104 -60.98 -107.01 +REMARK 500 5 HIS A 107 -61.12 -147.10 +REMARK 500 6 SER A 2 78.45 53.22 +REMARK 500 6 LEU A 6 43.51 -89.46 +REMARK 500 6 LYS A 8 -118.82 -56.71 +REMARK 500 6 ALA A 21 -70.23 -58.78 +REMARK 500 6 TYR A 23 -72.41 -69.69 +REMARK 500 6 LEU A 25 87.32 -55.99 +REMARK 500 6 SER A 27 97.50 -46.21 +REMARK 500 6 ASN A 30 43.20 -80.57 +REMARK 500 6 SER A 40 81.58 16.56 +REMARK 500 6 GLU A 52 -72.64 -151.30 +REMARK 500 6 LYS A 67 156.21 -49.77 +REMARK 500 6 SER A 71 -87.77 -111.71 +REMARK 500 6 SER A 72 -43.79 179.94 +REMARK 500 6 ALA A 90 65.49 -68.97 +REMARK 500 6 ASP A 91 33.27 -79.30 +REMARK 500 6 ILE A 94 -81.41 -43.56 +REMARK 500 6 THR A 96 -127.55 -97.33 +REMARK 500 6 HIS A 98 58.76 -145.90 +REMARK 500 6 TYR A 99 43.68 -151.97 +REMARK 500 6 PRO A 100 32.75 -74.97 +REMARK 500 6 ARG A 108 -56.53 -141.70 +REMARK 500 7 SER A 2 -59.05 72.73 +REMARK 500 7 SER A 5 -67.02 176.41 +REMARK 500 7 LEU A 6 168.10 62.25 +REMARK 500 7 LYS A 8 -116.63 -60.17 +REMARK 500 7 HIS A 9 -177.88 -69.23 +REMARK 500 7 LEU A 25 -77.63 -52.27 +REMARK 500 7 SER A 26 145.48 59.66 +REMARK 500 7 SER A 27 80.72 35.45 +REMARK 500 7 ASN A 30 29.26 -77.95 +REMARK 500 7 SER A 38 157.25 -43.60 +REMARK 500 7 SER A 40 14.75 -141.92 +REMARK 500 7 TYR A 51 -76.68 -112.76 +REMARK 500 7 SER A 64 -40.04 175.76 +REMARK 500 7 ALA A 80 -76.64 -52.54 +REMARK 500 7 ILE A 94 -87.18 -44.34 +REMARK 500 7 THR A 95 -168.57 -77.58 +REMARK 500 7 LEU A 97 130.25 -24.25 +REMARK 500 7 HIS A 98 -85.67 -109.68 +REMARK 500 7 ARG A 108 -56.62 -144.03 +REMARK 500 8 ASN A 4 141.88 177.72 +REMARK 500 8 LEU A 6 103.87 -174.09 +REMARK 500 8 LYS A 8 -106.56 -58.10 +REMARK 500 8 SER A 10 32.01 -82.82 +REMARK 500 8 TRP A 11 18.44 -151.39 +REMARK 500 8 HIS A 13 -71.32 -137.82 +REMARK 500 8 SER A 26 -93.75 -42.58 +REMARK 500 8 SER A 27 -54.63 176.25 +REMARK 500 8 GLU A 39 48.47 -86.37 +REMARK 500 8 SER A 40 -37.32 -172.84 +REMARK 500 8 PRO A 42 45.92 -74.92 +REMARK 500 8 TYR A 51 -101.37 -120.28 +REMARK 500 8 GLU A 52 -101.91 -69.55 +REMARK 500 8 SER A 64 -46.32 179.25 +REMARK 500 8 SER A 71 -65.24 -102.13 +REMARK 500 8 SER A 72 -45.37 162.54 +REMARK 500 8 ILE A 94 -83.32 -44.75 +REMARK 500 8 THR A 95 -161.80 -76.21 +REMARK 500 8 LEU A 97 129.38 -38.37 +REMARK 500 8 HIS A 98 44.68 -141.00 +REMARK 500 8 TYR A 99 60.85 -152.17 +REMARK 500 8 ILE A 106 42.40 -109.95 +REMARK 500 8 HIS A 107 66.69 37.14 +REMARK 500 9 ASN A 4 116.79 62.87 +REMARK 500 9 SER A 5 -73.30 73.64 +REMARK 500 9 LEU A 6 135.35 70.95 +REMARK 500 9 LYS A 8 -99.45 -49.63 +REMARK 500 9 SER A 27 50.20 167.21 +REMARK 500 9 ASN A 30 31.08 -79.80 +REMARK 500 9 GLU A 39 92.98 -44.36 +REMARK 500 9 SER A 40 67.10 21.63 +REMARK 500 9 TYR A 51 -154.47 -124.13 +REMARK 500 9 SER A 71 -66.46 -101.62 +REMARK 500 9 SER A 72 -61.74 166.47 +REMARK 500 9 SER A 74 66.99 -118.26 +REMARK 500 9 ILE A 94 -74.15 -55.05 +REMARK 500 9 TYR A 99 52.16 -159.04 +REMARK 500 9 HIS A 107 124.70 -37.66 +REMARK 500 10 SER A 2 78.82 -176.17 +REMARK 500 10 ASN A 4 172.09 174.92 +REMARK 500 10 LEU A 6 161.11 68.35 +REMARK 500 10 LYS A 8 -114.41 -58.97 +REMARK 500 10 SER A 26 -127.51 37.70 +REMARK 500 10 SER A 27 145.47 -32.87 +REMARK 500 10 SER A 38 -151.27 -76.23 +REMARK 500 10 GLU A 39 -80.76 -83.12 +REMARK 500 10 SER A 40 79.97 -156.20 +REMARK 500 10 TYR A 51 -150.04 -144.94 +REMARK 500 10 GLU A 52 79.78 -69.20 +REMARK 500 10 ILE A 60 -153.36 -70.05 +REMARK 500 10 SER A 64 -52.28 179.36 +REMARK 500 10 SER A 71 -83.06 -114.51 +REMARK 500 10 SER A 72 -41.08 173.18 +REMARK 500 10 ASP A 91 37.45 -79.31 +REMARK 500 10 ILE A 94 -77.94 -56.38 +REMARK 500 10 THR A 95 -154.50 -79.20 +REMARK 500 10 HIS A 98 -73.18 -137.48 +REMARK 500 10 HIS A 107 68.91 -106.80 +REMARK 500 11 SER A 2 162.54 60.29 +REMARK 500 11 ASN A 4 -167.84 43.65 +REMARK 500 11 SER A 5 -58.49 68.41 +REMARK 500 11 LYS A 8 -130.42 -63.76 +REMARK 500 11 HIS A 9 -177.85 -67.92 +REMARK 500 11 HIS A 13 -64.62 -102.66 +REMARK 500 11 LEU A 25 -152.80 -58.03 +REMARK 500 11 SER A 26 175.72 91.20 +REMARK 500 11 SER A 27 -72.51 65.94 +REMARK 500 11 ILE A 29 -160.13 -110.24 +REMARK 500 11 SER A 38 49.62 -77.41 +REMARK 500 11 GLU A 39 161.75 57.13 +REMARK 500 11 SER A 40 95.44 -34.93 +REMARK 500 11 TYR A 51 -155.90 -103.10 +REMARK 500 11 GLU A 52 59.81 -67.85 +REMARK 500 11 ALA A 63 -92.25 -68.37 +REMARK 500 11 SER A 64 29.51 -164.71 +REMARK 500 11 ASP A 65 -48.08 -151.57 +REMARK 500 11 ALA A 80 -71.70 -59.00 +REMARK 500 11 ILE A 94 -86.49 -44.86 +REMARK 500 11 THR A 95 -153.06 -82.43 +REMARK 500 11 LEU A 97 177.08 -49.37 +REMARK 500 11 HIS A 98 -73.12 -141.54 +REMARK 500 11 TYR A 99 69.27 -113.82 +REMARK 500 11 HIS A 107 82.69 -69.23 +REMARK 500 12 SER A 2 -60.10 -109.95 +REMARK 500 12 ASN A 4 -45.93 175.87 +REMARK 500 12 LYS A 8 -113.88 -59.31 +REMARK 500 12 TRP A 11 12.46 -144.94 +REMARK 500 12 ALA A 21 -70.15 -60.37 +REMARK 500 12 TYR A 23 -70.47 -76.02 +REMARK 500 12 SER A 26 -92.00 -48.51 +REMARK 500 12 SER A 27 -80.21 -174.30 +REMARK 500 12 GLU A 37 -167.72 -129.13 +REMARK 500 12 GLU A 39 79.75 -116.36 +REMARK 500 12 SER A 40 -25.60 102.82 +REMARK 500 12 TYR A 51 -159.00 -112.77 +REMARK 500 12 GLU A 52 49.72 -70.27 +REMARK 500 12 SER A 64 -38.48 85.62 +REMARK 500 12 ALA A 90 71.87 -67.94 +REMARK 500 12 ILE A 94 -82.94 -51.72 +REMARK 500 12 LEU A 97 133.01 -32.80 +REMARK 500 12 TYR A 99 48.68 -146.54 +REMARK 500 12 PRO A 100 39.42 -74.95 +REMARK 500 12 ARG A 108 -57.41 74.56 +REMARK 500 13 SER A 2 83.74 40.70 +REMARK 500 13 ASN A 4 -55.12 -150.42 +REMARK 500 13 LEU A 6 46.77 -151.50 +REMARK 500 13 LYS A 8 -97.74 -43.32 +REMARK 500 13 SER A 10 34.26 -82.24 +REMARK 500 13 TRP A 11 8.57 -150.63 +REMARK 500 13 LEU A 25 59.37 -69.34 +REMARK 500 13 SER A 27 -62.12 -107.00 +REMARK 500 13 SER A 40 40.58 174.10 +REMARK 500 13 TYR A 51 -124.01 -136.83 +REMARK 500 13 GLU A 52 98.84 -64.60 +REMARK 500 13 ALA A 63 46.34 -86.56 +REMARK 500 13 SER A 64 34.28 35.44 +REMARK 500 13 ASP A 65 -52.86 -149.21 +REMARK 500 13 SER A 72 -50.79 92.88 +REMARK 500 13 ALA A 90 63.09 -67.08 +REMARK 500 13 ASP A 91 43.79 -77.26 +REMARK 500 13 LEU A 97 176.38 51.02 +REMARK 500 13 HIS A 98 -84.27 -138.73 +REMARK 500 13 LYS A 103 -175.92 -69.73 +REMARK 500 13 HIS A 107 115.43 169.81 +REMARK 500 14 ASN A 4 94.26 53.76 +REMARK 500 14 LEU A 6 71.00 -166.55 +REMARK 500 14 LYS A 8 -97.24 -54.79 +REMARK 500 14 ALA A 21 -72.92 -42.24 +REMARK 500 14 TYR A 23 -72.20 -75.22 +REMARK 500 14 LEU A 25 81.45 -54.55 +REMARK 500 14 SER A 27 -87.06 64.11 +REMARK 500 14 GLU A 39 89.36 -166.29 +REMARK 500 14 PRO A 42 37.20 -74.91 +REMARK 500 14 GLU A 52 38.82 -76.58 +REMARK 500 14 ASP A 65 -54.27 -150.39 +REMARK 500 14 ILE A 94 -82.85 -47.18 +REMARK 500 14 THR A 95 -167.28 -79.32 +REMARK 500 14 LEU A 97 120.09 -38.59 +REMARK 500 14 TYR A 99 47.65 -152.65 +REMARK 500 14 PRO A 100 36.45 -74.98 +REMARK 500 14 ARG A 108 84.19 62.91 +REMARK 500 15 SER A 2 -52.01 81.97 +REMARK 500 15 ASN A 4 167.84 60.50 +REMARK 500 15 LEU A 6 49.36 39.51 +REMARK 500 15 LYS A 8 -124.27 -61.34 +REMARK 500 15 HIS A 13 -77.16 -125.33 +REMARK 500 15 LEU A 25 90.78 -51.90 +REMARK 500 15 SER A 26 -54.19 -140.88 +REMARK 500 15 ILE A 29 -166.61 -126.63 +REMARK 500 15 SER A 38 176.97 -48.47 +REMARK 500 15 GLU A 39 -60.63 -122.54 +REMARK 500 15 SER A 40 39.78 -75.38 +REMARK 500 15 TYR A 51 -76.87 -138.74 +REMARK 500 15 GLU A 52 -121.36 -78.94 +REMARK 500 15 ALA A 63 -178.38 -69.74 +REMARK 500 15 SER A 64 44.96 -83.72 +REMARK 500 15 ASP A 65 -56.06 -150.81 +REMARK 500 15 SER A 71 -76.18 -121.54 +REMARK 500 15 SER A 72 -60.80 165.53 +REMARK 500 15 ASP A 91 47.88 -77.30 +REMARK 500 15 ILE A 94 -83.77 -42.04 +REMARK 500 15 LEU A 97 140.36 -22.43 +REMARK 500 15 HIS A 98 -76.33 -103.19 +REMARK 500 15 ALA A 101 151.57 -45.04 +REMARK 500 15 HIS A 107 58.25 39.11 +REMARK 500 15 ARG A 108 106.63 -55.38 +REMARK 500 16 ASN A 4 -64.42 68.36 +REMARK 500 16 LYS A 8 -95.90 -43.89 +REMARK 500 16 HIS A 13 -79.84 -105.45 +REMARK 500 16 VAL A 16 61.08 -69.97 +REMARK 500 16 LEU A 25 89.17 -50.39 +REMARK 500 16 SER A 26 -159.19 -125.36 +REMARK 500 16 SER A 27 -55.33 78.54 +REMARK 500 16 SER A 40 -50.79 171.65 +REMARK 500 16 TYR A 51 -100.95 -131.17 +REMARK 500 16 SER A 64 -50.73 -178.84 +REMARK 500 16 SER A 72 -48.00 80.46 +REMARK 500 16 HIS A 86 3.54 -63.59 +REMARK 500 16 ASP A 91 26.45 -78.83 +REMARK 500 16 ILE A 94 -83.10 -43.35 +REMARK 500 16 THR A 95 -132.57 -80.00 +REMARK 500 16 HIS A 98 -99.16 -101.00 +REMARK 500 16 ALA A 101 162.61 -41.02 +REMARK 500 16 ARG A 108 -67.36 64.89 +REMARK 500 17 SER A 2 78.48 50.23 +REMARK 500 17 ASN A 4 100.80 -53.39 +REMARK 500 17 SER A 5 82.79 39.23 +REMARK 500 17 LYS A 8 -102.98 -54.59 +REMARK 500 17 HIS A 13 -81.06 -117.64 +REMARK 500 17 SER A 26 48.31 -76.32 +REMARK 500 17 SER A 27 162.22 51.99 +REMARK 500 17 GLU A 39 94.40 -38.36 +REMARK 500 17 SER A 40 -22.98 151.27 +REMARK 500 17 PRO A 42 -90.94 -75.05 +REMARK 500 17 TYR A 51 -126.96 -109.02 +REMARK 500 17 GLU A 52 49.29 -84.86 +REMARK 500 17 SER A 64 36.02 33.85 +REMARK 500 17 ASP A 65 -56.52 -142.16 +REMARK 500 17 ALA A 80 -73.48 -54.00 +REMARK 500 17 ALA A 90 66.81 -69.28 +REMARK 500 17 ASP A 91 25.25 -79.96 +REMARK 500 17 ILE A 94 -81.34 -45.05 +REMARK 500 17 LEU A 97 143.78 -29.78 +REMARK 500 17 ALA A 101 107.82 -46.21 +REMARK 500 18 SER A 2 81.81 62.37 +REMARK 500 18 ASN A 4 92.89 -55.08 +REMARK 500 18 SER A 5 -159.34 -75.60 +REMARK 500 18 LEU A 6 -156.20 80.35 +REMARK 500 18 LYS A 8 -115.33 -59.66 +REMARK 500 18 ASN A 30 42.21 -78.96 +REMARK 500 18 TYR A 51 -151.07 -116.67 +REMARK 500 18 GLU A 52 58.65 -68.92 +REMARK 500 18 ALA A 63 -72.03 -68.93 +REMARK 500 18 SER A 64 -40.99 -168.71 +REMARK 500 18 LEU A 97 147.68 -36.69 +REMARK 500 18 HIS A 98 -85.89 -113.50 +REMARK 500 18 HIS A 107 -60.82 74.37 +REMARK 500 19 ASN A 4 107.95 -40.55 +REMARK 500 19 LEU A 6 140.21 82.81 +REMARK 500 19 LYS A 8 -121.02 -59.79 +REMARK 500 19 HIS A 9 -179.88 -69.83 +REMARK 500 19 HIS A 13 -76.22 -134.01 +REMARK 500 19 LEU A 25 -144.84 -60.96 +REMARK 500 19 SER A 26 -45.74 83.64 +REMARK 500 19 SER A 27 54.71 -93.72 +REMARK 500 19 ILE A 29 -155.86 -118.42 +REMARK 500 19 ASN A 30 21.89 -79.08 +REMARK 500 19 GLU A 39 -73.21 -87.68 +REMARK 500 19 TYR A 51 -156.91 -114.58 +REMARK 500 19 GLU A 52 45.62 -100.90 +REMARK 500 19 ASN A 61 153.20 63.37 +REMARK 500 19 ALA A 63 41.09 -87.10 +REMARK 500 19 ASP A 65 -55.38 -149.17 +REMARK 500 19 SER A 72 -58.50 169.26 +REMARK 500 19 SER A 74 68.43 -114.00 +REMARK 500 19 ALA A 90 65.38 -68.53 +REMARK 500 19 ASP A 91 49.74 -77.50 +REMARK 500 19 ILE A 94 -87.24 -48.28 +REMARK 500 19 THR A 95 -123.63 -88.93 +REMARK 500 19 LEU A 97 144.92 -31.00 +REMARK 500 19 HIS A 98 -54.45 -138.00 +REMARK 500 19 ALA A 101 100.76 -42.40 +REMARK 500 19 ILE A 106 -71.28 -108.41 +REMARK 500 19 HIS A 107 55.37 176.81 +REMARK 500 19 ARG A 108 61.04 -154.30 +REMARK 500 20 SER A 2 175.93 51.93 +REMARK 500 20 SER A 5 -72.39 65.89 +REMARK 500 20 LEU A 6 -27.17 -176.94 +REMARK 500 20 LYS A 8 -109.03 -56.55 +REMARK 500 20 TRP A 11 13.08 -147.06 +REMARK 500 20 HIS A 13 -83.81 -111.61 +REMARK 500 20 LEU A 25 -75.42 -52.49 +REMARK 500 20 SER A 26 67.39 27.96 +REMARK 500 20 SER A 27 131.05 -179.25 +REMARK 500 20 ILE A 29 -165.40 -128.18 +REMARK 500 20 SER A 40 -41.64 76.27 +REMARK 500 20 PRO A 42 45.78 -74.99 +REMARK 500 20 GLU A 52 46.42 -80.34 +REMARK 500 20 ALA A 63 45.16 -82.99 +REMARK 500 20 ASP A 65 -56.03 -140.53 +REMARK 500 20 ALA A 80 -74.42 -43.59 +REMARK 500 20 ILE A 94 -89.41 -45.29 +REMARK 500 20 LEU A 97 138.92 -19.40 +REMARK 500 20 HIS A 98 -37.21 -138.78 +REMARK 500 20 ALA A 101 108.78 -52.16 +REMARK 500 20 HIS A 107 -47.61 -175.72 +REMARK 500 20 ARG A 108 108.87 -38.02 +REMARK 500 +REMARK 500 REMARK: NULL +DBREF 1AB2 A 4 104 UNP P00519 ABL1_HUMAN 120 220 +SEQRES 1 A 109 GLY SER GLY ASN SER LEU GLU LYS HIS SER TRP TYR HIS +SEQRES 2 A 109 GLY PRO VAL SER ARG ASN ALA ALA GLU TYR LEU LEU SER +SEQRES 3 A 109 SER GLY ILE ASN GLY SER PHE LEU VAL ARG GLU SER GLU +SEQRES 4 A 109 SER SER PRO GLY GLN ARG SER ILE SER LEU ARG TYR GLU +SEQRES 5 A 109 GLY ARG VAL TYR HIS TYR ARG ILE ASN THR ALA SER ASP +SEQRES 6 A 109 GLY LYS LEU TYR VAL SER SER GLU SER ARG PHE ASN THR +SEQRES 7 A 109 LEU ALA GLU LEU VAL HIS HIS HIS SER THR VAL ALA ASP +SEQRES 8 A 109 GLY LEU ILE THR THR LEU HIS TYR PRO ALA PRO LYS ARG +SEQRES 9 A 109 GLY ILE HIS ARG ASP +HELIX 1 A ARG A 18 LEU A 25 1 8 +HELIX 2 B THR A 78 VAL A 89 1 12 +SHEET 1 S1 1 TRP A 11 HIS A 13 0 +SHEET 1 S2 3 SER A 32 SER A 38 0 +SHEET 2 S2 3 GLN A 44 TYR A 51 -1 O ARG A 50 N SER A 32 +SHEET 3 S2 3 VAL A 55 ILE A 60 -1 O VAL A 55 N TYR A 51 +SHEET 1 S3 3 ASN A 61 ALA A 63 0 +SHEET 2 S3 3 LYS A 67 TYR A 69 -1 N TYR A 69 O ASN A 61 +SHEET 3 S3 3 ARG A 75 PHE A 76 -1 O PHE A 76 N LEU A 68 +SHEET 1 S4 1 LEU A 93 THR A 96 0 +SHEET 1 S5 1 ALA A 101 ARG A 104 0 +CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 1.000000 0.000000 0.000000 0.00000 +SCALE2 0.000000 1.000000 0.000000 0.00000 +SCALE3 0.000000 0.000000 1.000000 0.00000 +MODEL 1 +ATOM 1 N GLY A 1 0.469 -0.694 -0.363 1.00 1.00 N +ATOM 2 CA GLY A 1 1.265 -0.654 -1.578 1.00 1.00 C +ATOM 3 C GLY A 1 0.476 -1.203 -2.769 1.00 1.00 C +ATOM 4 O GLY A 1 -0.702 -0.891 -2.934 1.00 1.00 O +ATOM 5 H1 GLY A 1 -0.124 -1.516 -0.374 1.00 1.00 H +ATOM 6 H2 GLY A 1 1.083 -0.731 0.442 1.00 1.00 H +ATOM 7 H3 GLY A 1 -0.108 0.139 -0.310 1.00 1.00 H +ATOM 8 HA2 GLY A 1 1.572 0.371 -1.783 1.00 1.00 H +ATOM 9 HA3 GLY A 1 2.175 -1.238 -1.439 1.00 1.00 H +ATOM 10 N SER A 2 1.158 -2.012 -3.568 1.00 1.00 N +ATOM 11 CA SER A 2 0.535 -2.607 -4.737 1.00 1.00 C +ATOM 12 C SER A 2 -0.508 -3.640 -4.306 1.00 1.00 C +ATOM 13 O SER A 2 -0.162 -4.769 -3.962 1.00 1.00 O +ATOM 14 CB SER A 2 1.580 -3.255 -5.648 1.00 1.00 C +ATOM 15 OG SER A 2 2.228 -4.357 -5.017 1.00 1.00 O +ATOM 16 H SER A 2 2.116 -2.260 -3.426 1.00 1.00 H +ATOM 17 HA SER A 2 0.060 -1.779 -5.264 1.00 1.00 H +ATOM 18 HB2 SER A 2 1.102 -3.593 -6.567 1.00 1.00 H +ATOM 19 HB3 SER A 2 2.325 -2.511 -5.931 1.00 1.00 H +ATOM 20 HG SER A 2 2.509 -5.026 -5.703 1.00 1.00 H +ATOM 21 N GLY A 3 -1.763 -3.217 -4.341 1.00 1.00 N +ATOM 22 CA GLY A 3 -2.858 -4.091 -3.959 1.00 1.00 C +ATOM 23 C GLY A 3 -3.879 -3.347 -3.095 1.00 1.00 C +ATOM 24 O GLY A 3 -5.078 -3.401 -3.360 1.00 1.00 O +ATOM 25 H GLY A 3 -2.035 -2.297 -4.623 1.00 1.00 H +ATOM 26 HA2 GLY A 3 -3.347 -4.480 -4.853 1.00 1.00 H +ATOM 27 HA3 GLY A 3 -2.469 -4.949 -3.410 1.00 1.00 H +ATOM 28 N ASN A 4 -3.364 -2.670 -2.080 1.00 1.00 N +ATOM 29 CA ASN A 4 -4.215 -1.915 -1.175 1.00 1.00 C +ATOM 30 C ASN A 4 -4.006 -0.419 -1.415 1.00 1.00 C +ATOM 31 O ASN A 4 -4.969 0.343 -1.477 1.00 1.00 O +ATOM 32 CB ASN A 4 -3.869 -2.214 0.284 1.00 1.00 C +ATOM 33 CG ASN A 4 -4.627 -1.280 1.230 1.00 1.00 C +ATOM 34 OD1 ASN A 4 -4.163 -0.209 1.590 1.00 1.00 O +ATOM 35 ND2 ASN A 4 -5.813 -1.741 1.611 1.00 1.00 N +ATOM 36 H ASN A 4 -2.387 -2.632 -1.870 1.00 1.00 H +ATOM 37 HA ASN A 4 -5.232 -2.237 -1.404 1.00 1.00 H +ATOM 38 HB2 ASN A 4 -4.116 -3.250 0.517 1.00 1.00 H +ATOM 39 HB3 ASN A 4 -2.796 -2.100 0.439 1.00 1.00 H +ATOM 40 HD21 ASN A 4 -6.135 -2.628 1.279 1.00 1.00 H +ATOM 41 HD22 ASN A 4 -6.386 -1.202 2.229 1.00 1.00 H +ATOM 42 N SER A 5 -2.742 -0.044 -1.541 1.00 1.00 N +ATOM 43 CA SER A 5 -2.394 1.349 -1.771 1.00 1.00 C +ATOM 44 C SER A 5 -3.005 2.228 -0.679 1.00 1.00 C +ATOM 45 O SER A 5 -3.798 1.755 0.134 1.00 1.00 O +ATOM 46 CB SER A 5 -2.865 1.812 -3.152 1.00 1.00 C +ATOM 47 OG SER A 5 -4.286 1.794 -3.265 1.00 1.00 O +ATOM 48 H SER A 5 -1.964 -0.670 -1.488 1.00 1.00 H +ATOM 49 HA SER A 5 -1.306 1.385 -1.729 1.00 1.00 H +ATOM 50 HB2 SER A 5 -2.500 2.822 -3.338 1.00 1.00 H +ATOM 51 HB3 SER A 5 -2.432 1.169 -3.918 1.00 1.00 H +ATOM 52 HG SER A 5 -4.702 1.826 -2.356 1.00 1.00 H +ATOM 53 N LEU A 6 -2.611 3.494 -0.694 1.00 1.00 N +ATOM 54 CA LEU A 6 -3.111 4.444 0.285 1.00 1.00 C +ATOM 55 C LEU A 6 -3.925 5.525 -0.428 1.00 1.00 C +ATOM 56 O LEU A 6 -3.757 5.744 -1.627 1.00 1.00 O +ATOM 57 CB LEU A 6 -1.960 4.998 1.128 1.00 1.00 C +ATOM 58 CG LEU A 6 -1.104 3.960 1.859 1.00 1.00 C +ATOM 59 CD1 LEU A 6 -0.007 3.413 0.944 1.00 1.00 C +ATOM 60 CD2 LEU A 6 -0.534 4.536 3.157 1.00 1.00 C +ATOM 61 H LEU A 6 -1.966 3.871 -1.359 1.00 1.00 H +ATOM 62 HA LEU A 6 -3.772 3.901 0.960 1.00 1.00 H +ATOM 63 HB2 LEU A 6 -1.309 5.584 0.480 1.00 1.00 H +ATOM 64 HB3 LEU A 6 -2.375 5.683 1.867 1.00 1.00 H +ATOM 65 HG LEU A 6 -1.743 3.121 2.132 1.00 1.00 H +ATOM 66 HD11 LEU A 6 0.095 4.059 0.072 1.00 1.00 H +ATOM 67 HD12 LEU A 6 0.938 3.384 1.487 1.00 1.00 H +ATOM 68 HD13 LEU A 6 -0.272 2.406 0.621 1.00 1.00 H +ATOM 69 HD21 LEU A 6 -0.950 5.529 3.327 1.00 1.00 H +ATOM 70 HD22 LEU A 6 -0.797 3.885 3.990 1.00 1.00 H +ATOM 71 HD23 LEU A 6 0.551 4.605 3.078 1.00 1.00 H +ATOM 72 N GLU A 7 -4.791 6.171 0.339 1.00 1.00 N +ATOM 73 CA GLU A 7 -5.632 7.223 -0.204 1.00 1.00 C +ATOM 74 C GLU A 7 -4.814 8.496 -0.427 1.00 1.00 C +ATOM 75 O GLU A 7 -5.037 9.507 0.237 1.00 1.00 O +ATOM 76 CB GLU A 7 -6.830 7.495 0.708 1.00 1.00 C +ATOM 77 CG GLU A 7 -8.142 7.127 0.014 1.00 1.00 C +ATOM 78 CD GLU A 7 -8.921 8.382 -0.388 1.00 1.00 C +ATOM 79 OE1 GLU A 7 -8.634 8.850 -1.554 1.00 1.00 O +ATOM 80 OE2 GLU A 7 -9.752 8.872 0.391 1.00 1.00 O +ATOM 81 H GLU A 7 -4.921 5.987 1.313 1.00 1.00 H +ATOM 82 HA GLU A 7 -5.992 6.842 -1.161 1.00 1.00 H +ATOM 83 HB2 GLU A 7 -6.728 6.920 1.628 1.00 1.00 H +ATOM 84 HB3 GLU A 7 -6.845 8.548 0.991 1.00 1.00 H +ATOM 85 HG2 GLU A 7 -7.935 6.525 -0.870 1.00 1.00 H +ATOM 86 HG3 GLU A 7 -8.751 6.515 0.680 1.00 1.00 H +ATOM 87 N LYS A 8 -3.881 8.405 -1.364 1.00 1.00 N +ATOM 88 CA LYS A 8 -3.026 9.537 -1.682 1.00 1.00 C +ATOM 89 C LYS A 8 -3.897 10.727 -2.094 1.00 1.00 C +ATOM 90 O LYS A 8 -4.509 11.375 -1.246 1.00 1.00 O +ATOM 91 CB LYS A 8 -1.986 9.144 -2.732 1.00 1.00 C +ATOM 92 CG LYS A 8 -0.846 10.165 -2.784 1.00 1.00 C +ATOM 93 CD LYS A 8 -0.879 10.958 -4.092 1.00 1.00 C +ATOM 94 CE LYS A 8 0.257 11.981 -4.141 1.00 1.00 C +ATOM 95 NZ LYS A 8 1.545 11.313 -4.430 1.00 1.00 N +ATOM 96 H LYS A 8 -3.704 7.579 -1.899 1.00 1.00 H +ATOM 97 HA LYS A 8 -2.485 9.803 -0.774 1.00 1.00 H +ATOM 98 HB2 LYS A 8 -1.585 8.158 -2.502 1.00 1.00 H +ATOM 99 HB3 LYS A 8 -2.460 9.074 -3.712 1.00 1.00 H +ATOM 100 HG2 LYS A 8 -0.927 10.848 -1.938 1.00 1.00 H +ATOM 101 HG3 LYS A 8 0.110 9.652 -2.689 1.00 1.00 H +ATOM 102 HD2 LYS A 8 -0.795 10.275 -4.938 1.00 1.00 H +ATOM 103 HD3 LYS A 8 -1.838 11.468 -4.189 1.00 1.00 H +ATOM 104 HE2 LYS A 8 0.048 12.727 -4.907 1.00 1.00 H +ATOM 105 HE3 LYS A 8 0.319 12.509 -3.190 1.00 1.00 H +ATOM 106 HZ1 LYS A 8 1.449 10.737 -5.254 1.00 1.00 H +ATOM 107 HZ2 LYS A 8 2.291 11.979 -4.595 1.00 1.00 H +ATOM 108 HZ3 LYS A 8 1.807 10.733 -3.644 1.00 1.00 H +ATOM 109 N HIS A 9 -3.923 10.978 -3.394 1.00 1.00 N +ATOM 110 CA HIS A 9 -4.708 12.078 -3.928 1.00 1.00 C +ATOM 111 C HIS A 9 -6.157 11.626 -4.126 1.00 1.00 C +ATOM 112 O HIS A 9 -6.508 10.494 -3.797 1.00 1.00 O +ATOM 113 CB HIS A 9 -4.077 12.623 -5.211 1.00 1.00 C +ATOM 114 CG HIS A 9 -2.959 13.610 -4.972 1.00 1.00 C +ATOM 115 ND1 HIS A 9 -2.255 13.673 -3.783 1.00 1.00 N +ATOM 116 CD2 HIS A 9 -2.430 14.570 -5.784 1.00 1.00 C +ATOM 117 CE1 HIS A 9 -1.347 14.632 -3.884 1.00 1.00 C +ATOM 118 NE2 HIS A 9 -1.456 15.186 -5.125 1.00 1.00 N +ATOM 119 H HIS A 9 -3.423 10.445 -4.077 1.00 1.00 H +ATOM 120 HA HIS A 9 -4.683 12.871 -3.182 1.00 1.00 H +ATOM 121 HB2 HIS A 9 -3.693 11.789 -5.798 1.00 1.00 H +ATOM 122 HB3 HIS A 9 -4.851 13.105 -5.808 1.00 1.00 H +ATOM 123 HD1 HIS A 9 -2.407 13.093 -2.982 1.00 1.00 H +ATOM 124 HD2 HIS A 9 -2.751 14.792 -6.802 1.00 1.00 H +ATOM 125 HE1 HIS A 9 -0.636 14.925 -3.111 1.00 1.00 H +ATOM 126 N SER A 10 -6.958 12.535 -4.662 1.00 1.00 N +ATOM 127 CA SER A 10 -8.361 12.245 -4.908 1.00 1.00 C +ATOM 128 C SER A 10 -8.509 11.435 -6.198 1.00 1.00 C +ATOM 129 O SER A 10 -9.623 11.198 -6.661 1.00 1.00 O +ATOM 130 CB SER A 10 -9.183 13.532 -4.992 1.00 1.00 C +ATOM 131 OG SER A 10 -10.584 13.274 -4.951 1.00 1.00 O +ATOM 132 H SER A 10 -6.664 13.453 -4.927 1.00 1.00 H +ATOM 133 HA SER A 10 -8.689 11.660 -4.049 1.00 1.00 H +ATOM 134 HB2 SER A 10 -8.911 14.190 -4.167 1.00 1.00 H +ATOM 135 HB3 SER A 10 -8.938 14.059 -5.915 1.00 1.00 H +ATOM 136 HG SER A 10 -11.047 13.786 -5.675 1.00 1.00 H +ATOM 137 N TRP A 11 -7.369 11.032 -6.741 1.00 1.00 N +ATOM 138 CA TRP A 11 -7.359 10.254 -7.968 1.00 1.00 C +ATOM 139 C TRP A 11 -6.537 8.988 -7.718 1.00 1.00 C +ATOM 140 O TRP A 11 -6.228 8.250 -8.652 1.00 1.00 O +ATOM 141 CB TRP A 11 -6.834 11.086 -9.140 1.00 1.00 C +ATOM 142 CG TRP A 11 -5.645 11.980 -8.786 1.00 1.00 C +ATOM 143 CD1 TRP A 11 -5.622 13.315 -8.670 1.00 1.00 C +ATOM 144 CD2 TRP A 11 -4.297 11.547 -8.504 1.00 1.00 C +ATOM 145 NE1 TRP A 11 -4.364 13.772 -8.335 1.00 1.00 N +ATOM 146 CE2 TRP A 11 -3.533 12.663 -8.231 1.00 1.00 C +ATOM 147 CE3 TRP A 11 -3.743 10.256 -8.480 1.00 1.00 C +ATOM 148 CZ2 TRP A 11 -2.170 12.601 -7.916 1.00 1.00 C +ATOM 149 CZ3 TRP A 11 -2.380 10.210 -8.164 1.00 1.00 C +ATOM 150 CH2 TRP A 11 -1.596 11.324 -7.886 1.00 1.00 C +ATOM 151 H TRP A 11 -6.467 11.230 -6.358 1.00 1.00 H +ATOM 152 HA TRP A 11 -8.389 9.989 -8.202 1.00 1.00 H +ATOM 153 HB2 TRP A 11 -6.542 10.414 -9.947 1.00 1.00 H +ATOM 154 HB3 TRP A 11 -7.644 11.709 -9.521 1.00 1.00 H +ATOM 155 HD1 TRP A 11 -6.489 13.958 -8.820 1.00 1.00 H +ATOM 156 HE1 TRP A 11 -4.075 14.812 -8.181 1.00 1.00 H +ATOM 157 HE3 TRP A 11 -4.325 9.359 -8.692 1.00 1.00 H +ATOM 158 HZ2 TRP A 11 -1.587 13.497 -7.704 1.00 1.00 H +ATOM 159 HZ3 TRP A 11 -1.899 9.232 -8.131 1.00 1.00 H +ATOM 160 HH2 TRP A 11 -0.539 11.204 -7.647 1.00 1.00 H +ATOM 161 N TYR A 12 -6.205 8.776 -6.452 1.00 1.00 N +ATOM 162 CA TYR A 12 -5.425 7.613 -6.067 1.00 1.00 C +ATOM 163 C TYR A 12 -6.255 6.656 -5.209 1.00 1.00 C +ATOM 164 O TYR A 12 -6.340 6.821 -3.994 1.00 1.00 O +ATOM 165 CB TYR A 12 -4.258 8.145 -5.233 1.00 1.00 C +ATOM 166 CG TYR A 12 -2.942 7.395 -5.454 1.00 1.00 C +ATOM 167 CD1 TYR A 12 -2.417 7.283 -6.726 1.00 1.00 C +ATOM 168 CD2 TYR A 12 -2.281 6.831 -4.382 1.00 1.00 C +ATOM 169 CE1 TYR A 12 -1.179 6.578 -6.934 1.00 1.00 C +ATOM 170 CE2 TYR A 12 -1.043 6.126 -4.591 1.00 1.00 C +ATOM 171 CZ TYR A 12 -0.553 6.034 -5.856 1.00 1.00 C +ATOM 172 OH TYR A 12 0.616 5.367 -6.052 1.00 1.00 O +ATOM 173 H TYR A 12 -6.461 9.382 -5.698 1.00 1.00 H +ATOM 174 HA TYR A 12 -5.117 7.099 -6.978 1.00 1.00 H +ATOM 175 HB2 TYR A 12 -4.108 9.198 -5.468 1.00 1.00 H +ATOM 176 HB3 TYR A 12 -4.523 8.089 -4.178 1.00 1.00 H +ATOM 177 HD1 TYR A 12 -2.939 7.729 -7.572 1.00 1.00 H +ATOM 178 HD2 TYR A 12 -2.696 6.919 -3.379 1.00 1.00 H +ATOM 179 HE1 TYR A 12 -0.754 6.481 -7.933 1.00 1.00 H +ATOM 180 HE2 TYR A 12 -0.511 5.675 -3.753 1.00 1.00 H +ATOM 181 HH TYR A 12 1.294 5.661 -5.379 1.00 1.00 H +ATOM 182 N HIS A 13 -6.845 5.676 -5.876 1.00 1.00 N +ATOM 183 CA HIS A 13 -7.665 4.691 -5.190 1.00 1.00 C +ATOM 184 C HIS A 13 -6.904 3.368 -5.090 1.00 1.00 C +ATOM 185 O HIS A 13 -6.654 2.873 -3.993 1.00 1.00 O +ATOM 186 CB HIS A 13 -9.025 4.543 -5.877 1.00 1.00 C +ATOM 187 CG HIS A 13 -8.937 4.230 -7.351 1.00 1.00 C +ATOM 188 ND1 HIS A 13 -9.395 3.042 -7.894 1.00 1.00 N +ATOM 189 CD2 HIS A 13 -8.441 4.961 -8.390 1.00 1.00 C +ATOM 190 CE1 HIS A 13 -9.178 3.068 -9.201 1.00 1.00 C +ATOM 191 NE2 HIS A 13 -8.586 4.258 -9.506 1.00 1.00 N +ATOM 192 H HIS A 13 -6.772 5.548 -6.865 1.00 1.00 H +ATOM 193 HA HIS A 13 -7.841 5.076 -4.186 1.00 1.00 H +ATOM 194 HB2 HIS A 13 -9.586 3.751 -5.380 1.00 1.00 H +ATOM 195 HB3 HIS A 13 -9.590 5.466 -5.744 1.00 1.00 H +ATOM 196 HD1 HIS A 13 -9.818 2.292 -7.386 1.00 1.00 H +ATOM 197 HD2 HIS A 13 -7.999 5.955 -8.314 1.00 1.00 H +ATOM 198 HE1 HIS A 13 -9.430 2.278 -9.908 1.00 1.00 H +ATOM 199 N GLY A 14 -6.556 2.833 -6.252 1.00 1.00 N +ATOM 200 CA GLY A 14 -5.828 1.577 -6.310 1.00 1.00 C +ATOM 201 C GLY A 14 -5.666 1.103 -7.755 1.00 1.00 C +ATOM 202 O GLY A 14 -5.883 1.870 -8.692 1.00 1.00 O +ATOM 203 H GLY A 14 -6.764 3.243 -7.140 1.00 1.00 H +ATOM 204 HA2 GLY A 14 -4.847 1.700 -5.851 1.00 1.00 H +ATOM 205 HA3 GLY A 14 -6.357 0.819 -5.731 1.00 1.00 H +ATOM 206 N PRO A 15 -5.278 -0.192 -7.895 1.00 1.00 N +ATOM 207 CA PRO A 15 -5.084 -0.778 -9.211 1.00 1.00 C +ATOM 208 C PRO A 15 -6.426 -1.073 -9.882 1.00 1.00 C +ATOM 209 O PRO A 15 -7.303 -1.693 -9.281 1.00 1.00 O +ATOM 210 CB PRO A 15 -4.255 -2.028 -8.966 1.00 1.00 C +ATOM 211 CG PRO A 15 -4.408 -2.348 -7.488 1.00 1.00 C +ATOM 212 CD PRO A 15 -5.012 -1.130 -6.808 1.00 1.00 C +ATOM 213 HA PRO A 15 -4.613 -0.133 -9.812 1.00 1.00 H +ATOM 214 HB2 PRO A 15 -4.605 -2.856 -9.583 1.00 1.00 H +ATOM 215 HB3 PRO A 15 -3.209 -1.860 -9.224 1.00 1.00 H +ATOM 216 HG2 PRO A 15 -5.048 -3.220 -7.351 1.00 1.00 H +ATOM 217 HG3 PRO A 15 -3.440 -2.591 -7.048 1.00 1.00 H +ATOM 218 HD2 PRO A 15 -5.928 -1.388 -6.275 1.00 1.00 H +ATOM 219 HD3 PRO A 15 -4.325 -0.705 -6.076 1.00 1.00 H +ATOM 220 N VAL A 16 -6.547 -0.614 -11.119 1.00 1.00 N +ATOM 221 CA VAL A 16 -7.768 -0.821 -11.880 1.00 1.00 C +ATOM 222 C VAL A 16 -7.418 -1.011 -13.357 1.00 1.00 C +ATOM 223 O VAL A 16 -6.931 -0.088 -14.007 1.00 1.00 O +ATOM 224 CB VAL A 16 -8.736 0.340 -11.640 1.00 1.00 C +ATOM 225 CG1 VAL A 16 -8.043 1.686 -11.862 1.00 1.00 C +ATOM 226 CG2 VAL A 16 -9.977 0.209 -12.524 1.00 1.00 C +ATOM 227 H VAL A 16 -5.829 -0.111 -11.601 1.00 1.00 H +ATOM 228 HA VAL A 16 -8.235 -1.732 -11.509 1.00 1.00 H +ATOM 229 HB VAL A 16 -9.058 0.297 -10.599 1.00 1.00 H +ATOM 230 HG11 VAL A 16 -7.370 1.612 -12.716 1.00 1.00 H +ATOM 231 HG12 VAL A 16 -8.793 2.452 -12.056 1.00 1.00 H +ATOM 232 HG13 VAL A 16 -7.473 1.952 -10.972 1.00 1.00 H +ATOM 233 HG21 VAL A 16 -9.835 -0.607 -13.232 1.00 1.00 H +ATOM 234 HG22 VAL A 16 -10.847 0.001 -11.901 1.00 1.00 H +ATOM 235 HG23 VAL A 16 -10.135 1.140 -13.068 1.00 1.00 H +ATOM 236 N SER A 17 -7.679 -2.216 -13.842 1.00 1.00 N +ATOM 237 CA SER A 17 -7.398 -2.540 -15.231 1.00 1.00 C +ATOM 238 C SER A 17 -8.250 -1.669 -16.154 1.00 1.00 C +ATOM 239 O SER A 17 -9.404 -1.372 -15.845 1.00 1.00 O +ATOM 240 CB SER A 17 -7.654 -4.022 -15.513 1.00 1.00 C +ATOM 241 OG SER A 17 -6.444 -4.772 -15.572 1.00 1.00 O +ATOM 242 H SER A 17 -8.075 -2.962 -13.306 1.00 1.00 H +ATOM 243 HA SER A 17 -6.338 -2.323 -15.369 1.00 1.00 H +ATOM 244 HB2 SER A 17 -8.298 -4.433 -14.735 1.00 1.00 H +ATOM 245 HB3 SER A 17 -8.190 -4.124 -16.457 1.00 1.00 H +ATOM 246 HG SER A 17 -5.659 -4.165 -15.441 1.00 1.00 H +ATOM 247 N ARG A 18 -7.651 -1.282 -17.271 1.00 1.00 N +ATOM 248 CA ARG A 18 -8.341 -0.450 -18.242 1.00 1.00 C +ATOM 249 C ARG A 18 -9.645 -1.117 -18.680 1.00 1.00 C +ATOM 250 O ARG A 18 -10.698 -0.480 -18.693 1.00 1.00 O +ATOM 251 CB ARG A 18 -7.466 -0.199 -19.472 1.00 1.00 C +ATOM 252 CG ARG A 18 -6.500 -1.362 -19.705 1.00 1.00 C +ATOM 253 CD ARG A 18 -6.187 -1.526 -21.194 1.00 1.00 C +ATOM 254 NE ARG A 18 -5.608 -2.865 -21.445 1.00 1.00 N +ATOM 255 CZ ARG A 18 -6.336 -3.968 -21.662 1.00 1.00 C +ATOM 256 NH1 ARG A 18 -7.674 -3.901 -21.659 1.00 1.00 N +ATOM 257 NH2 ARG A 18 -5.725 -5.141 -21.881 1.00 1.00 N +ATOM 258 H ARG A 18 -6.712 -1.527 -17.515 1.00 1.00 H +ATOM 259 HA ARG A 18 -8.535 0.486 -17.718 1.00 1.00 H +ATOM 260 HB2 ARG A 18 -8.097 -0.065 -20.350 1.00 1.00 H +ATOM 261 HB3 ARG A 18 -6.903 0.725 -19.340 1.00 1.00 H +ATOM 262 HG2 ARG A 18 -5.577 -1.189 -19.153 1.00 1.00 H +ATOM 263 HG3 ARG A 18 -6.935 -2.284 -19.318 1.00 1.00 H +ATOM 264 HD2 ARG A 18 -7.096 -1.397 -21.781 1.00 1.00 H +ATOM 265 HD3 ARG A 18 -5.489 -0.753 -21.514 1.00 1.00 H +ATOM 266 HE ARG A 18 -4.612 -2.950 -21.454 1.00 1.00 H +ATOM 267 HH11 ARG A 18 -8.130 -3.026 -21.495 1.00 1.00 H +ATOM 268 HH12 ARG A 18 -8.217 -4.725 -21.821 1.00 1.00 H +ATOM 269 HH21 ARG A 18 -4.727 -5.192 -21.884 1.00 1.00 H +ATOM 270 HH22 ARG A 18 -6.268 -5.965 -22.043 1.00 1.00 H +ATOM 271 N ASN A 19 -9.535 -2.391 -19.026 1.00 1.00 N +ATOM 272 CA ASN A 19 -10.694 -3.151 -19.463 1.00 1.00 C +ATOM 273 C ASN A 19 -11.872 -2.857 -18.533 1.00 1.00 C +ATOM 274 O ASN A 19 -12.913 -2.378 -18.977 1.00 1.00 O +ATOM 275 CB ASN A 19 -10.416 -4.655 -19.414 1.00 1.00 C +ATOM 276 CG ASN A 19 -9.465 -5.000 -18.266 1.00 1.00 C +ATOM 277 OD1 ASN A 19 -9.874 -5.324 -17.163 1.00 1.00 O +ATOM 278 ND2 ASN A 19 -8.178 -4.912 -18.586 1.00 1.00 N +ATOM 279 H ASN A 19 -8.676 -2.901 -19.012 1.00 1.00 H +ATOM 280 HA ASN A 19 -10.880 -2.826 -20.487 1.00 1.00 H +ATOM 281 HB2 ASN A 19 -11.354 -5.198 -19.290 1.00 1.00 H +ATOM 282 HB3 ASN A 19 -9.983 -4.979 -20.360 1.00 1.00 H +ATOM 283 HD21 ASN A 19 -7.909 -4.640 -19.509 1.00 1.00 H +ATOM 284 HD22 ASN A 19 -7.478 -5.119 -17.902 1.00 1.00 H +ATOM 285 N ALA A 20 -11.667 -3.158 -17.258 1.00 1.00 N +ATOM 286 CA ALA A 20 -12.700 -2.931 -16.261 1.00 1.00 C +ATOM 287 C ALA A 20 -13.033 -1.439 -16.207 1.00 1.00 C +ATOM 288 O ALA A 20 -14.150 -1.060 -15.862 1.00 1.00 O +ATOM 289 CB ALA A 20 -12.231 -3.473 -14.910 1.00 1.00 C +ATOM 290 H ALA A 20 -10.817 -3.547 -16.906 1.00 1.00 H +ATOM 291 HA ALA A 20 -13.588 -3.482 -16.572 1.00 1.00 H +ATOM 292 HB1 ALA A 20 -11.712 -4.420 -15.058 1.00 1.00 H +ATOM 293 HB2 ALA A 20 -11.556 -2.756 -14.445 1.00 1.00 H +ATOM 294 HB3 ALA A 20 -13.095 -3.631 -14.262 1.00 1.00 H +ATOM 295 N ALA A 21 -12.040 -0.631 -16.554 1.00 1.00 N +ATOM 296 CA ALA A 21 -12.214 0.811 -16.549 1.00 1.00 C +ATOM 297 C ALA A 21 -13.233 1.202 -17.621 1.00 1.00 C +ATOM 298 O ALA A 21 -14.326 1.670 -17.303 1.00 1.00 O +ATOM 299 CB ALA A 21 -10.858 1.489 -16.760 1.00 1.00 C +ATOM 300 H ALA A 21 -11.134 -0.946 -16.833 1.00 1.00 H +ATOM 301 HA ALA A 21 -12.601 1.097 -15.570 1.00 1.00 H +ATOM 302 HB1 ALA A 21 -10.060 0.795 -16.496 1.00 1.00 H +ATOM 303 HB2 ALA A 21 -10.757 1.781 -17.804 1.00 1.00 H +ATOM 304 HB3 ALA A 21 -10.793 2.375 -16.126 1.00 1.00 H +ATOM 305 N GLU A 22 -12.840 0.996 -18.869 1.00 1.00 N +ATOM 306 CA GLU A 22 -13.706 1.321 -19.990 1.00 1.00 C +ATOM 307 C GLU A 22 -14.987 0.485 -19.931 1.00 1.00 C +ATOM 308 O GLU A 22 -16.048 0.940 -20.352 1.00 1.00 O +ATOM 309 CB GLU A 22 -12.980 1.117 -21.321 1.00 1.00 C +ATOM 310 CG GLU A 22 -11.898 0.042 -21.197 1.00 1.00 C +ATOM 311 CD GLU A 22 -11.637 -0.632 -22.545 1.00 1.00 C +ATOM 312 OE1 GLU A 22 -11.797 0.067 -23.569 1.00 1.00 O +ATOM 313 OE2 GLU A 22 -11.284 -1.831 -22.521 1.00 1.00 O +ATOM 314 H GLU A 22 -11.950 0.616 -19.120 1.00 1.00 H +ATOM 315 HA GLU A 22 -13.947 2.378 -19.873 1.00 1.00 H +ATOM 316 HB2 GLU A 22 -13.697 0.830 -22.090 1.00 1.00 H +ATOM 317 HB3 GLU A 22 -12.529 2.056 -21.641 1.00 1.00 H +ATOM 318 HG2 GLU A 22 -10.976 0.490 -20.825 1.00 1.00 H +ATOM 319 HG3 GLU A 22 -12.206 -0.706 -20.466 1.00 1.00 H +ATOM 320 N TYR A 23 -14.844 -0.721 -19.404 1.00 1.00 N +ATOM 321 CA TYR A 23 -15.976 -1.625 -19.284 1.00 1.00 C +ATOM 322 C TYR A 23 -16.867 -1.232 -18.104 1.00 1.00 C +ATOM 323 O TYR A 23 -18.006 -0.810 -18.295 1.00 1.00 O +ATOM 324 CB TYR A 23 -15.384 -3.011 -19.022 1.00 1.00 C +ATOM 325 CG TYR A 23 -16.428 -4.123 -18.917 1.00 1.00 C +ATOM 326 CD1 TYR A 23 -17.198 -4.243 -17.778 1.00 1.00 C +ATOM 327 CD2 TYR A 23 -16.601 -5.009 -19.962 1.00 1.00 C +ATOM 328 CE1 TYR A 23 -18.181 -5.290 -17.679 1.00 1.00 C +ATOM 329 CE2 TYR A 23 -17.584 -6.056 -19.863 1.00 1.00 C +ATOM 330 CZ TYR A 23 -18.325 -6.146 -18.727 1.00 1.00 C +ATOM 331 OH TYR A 23 -19.254 -7.136 -18.634 1.00 1.00 O +ATOM 332 H TYR A 23 -13.977 -1.084 -19.063 1.00 1.00 H +ATOM 333 HA TYR A 23 -16.556 -1.561 -20.204 1.00 1.00 H +ATOM 334 HB2 TYR A 23 -14.687 -3.255 -19.825 1.00 1.00 H +ATOM 335 HB3 TYR A 23 -14.806 -2.980 -18.097 1.00 1.00 H +ATOM 336 HD1 TYR A 23 -17.062 -3.544 -16.953 1.00 1.00 H +ATOM 337 HD2 TYR A 23 -15.993 -4.915 -20.862 1.00 1.00 H +ATOM 338 HE1 TYR A 23 -18.796 -5.396 -16.786 1.00 1.00 H +ATOM 339 HE2 TYR A 23 -17.731 -6.763 -20.681 1.00 1.00 H +ATOM 340 HH TYR A 23 -19.463 -7.319 -17.673 1.00 1.00 H +ATOM 341 N LEU A 24 -16.315 -1.387 -16.909 1.00 1.00 N +ATOM 342 CA LEU A 24 -17.045 -1.054 -15.698 1.00 1.00 C +ATOM 343 C LEU A 24 -17.514 0.400 -15.774 1.00 1.00 C +ATOM 344 O LEU A 24 -18.706 0.665 -15.924 1.00 1.00 O +ATOM 345 CB LEU A 24 -16.200 -1.365 -14.460 1.00 1.00 C +ATOM 346 CG LEU A 24 -16.977 -1.645 -13.172 1.00 1.00 C +ATOM 347 CD1 LEU A 24 -16.048 -2.172 -12.076 1.00 1.00 C +ATOM 348 CD2 LEU A 24 -17.753 -0.407 -12.720 1.00 1.00 C +ATOM 349 H LEU A 24 -15.387 -1.732 -16.762 1.00 1.00 H +ATOM 350 HA LEU A 24 -17.923 -1.699 -15.659 1.00 1.00 H +ATOM 351 HB2 LEU A 24 -15.574 -2.230 -14.680 1.00 1.00 H +ATOM 352 HB3 LEU A 24 -15.530 -0.523 -14.282 1.00 1.00 H +ATOM 353 HG LEU A 24 -17.708 -2.427 -13.377 1.00 1.00 H +ATOM 354 HD11 LEU A 24 -15.181 -1.515 -11.988 1.00 1.00 H +ATOM 355 HD12 LEU A 24 -16.583 -2.197 -11.127 1.00 1.00 H +ATOM 356 HD13 LEU A 24 -15.716 -3.178 -12.333 1.00 1.00 H +ATOM 357 HD21 LEU A 24 -17.493 0.438 -13.356 1.00 1.00 H +ATOM 358 HD22 LEU A 24 -18.823 -0.602 -12.794 1.00 1.00 H +ATOM 359 HD23 LEU A 24 -17.498 -0.176 -11.685 1.00 1.00 H +ATOM 360 N LEU A 25 -16.553 1.304 -15.665 1.00 1.00 N +ATOM 361 CA LEU A 25 -16.852 2.726 -15.719 1.00 1.00 C +ATOM 362 C LEU A 25 -17.575 3.040 -17.030 1.00 1.00 C +ATOM 363 O LEU A 25 -16.959 3.054 -18.094 1.00 1.00 O +ATOM 364 CB LEU A 25 -15.581 3.550 -15.504 1.00 1.00 C +ATOM 365 CG LEU A 25 -15.496 4.865 -16.281 1.00 1.00 C +ATOM 366 CD1 LEU A 25 -15.736 6.063 -15.359 1.00 1.00 C +ATOM 367 CD2 LEU A 25 -14.166 4.975 -17.029 1.00 1.00 C +ATOM 368 H LEU A 25 -15.585 1.081 -15.542 1.00 1.00 H +ATOM 369 HA LEU A 25 -17.525 2.949 -14.891 1.00 1.00 H +ATOM 370 HB2 LEU A 25 -15.492 3.772 -14.441 1.00 1.00 H +ATOM 371 HB3 LEU A 25 -14.723 2.934 -15.775 1.00 1.00 H +ATOM 372 HG LEU A 25 -16.287 4.871 -17.030 1.00 1.00 H +ATOM 373 HD11 LEU A 25 -16.113 5.712 -14.399 1.00 1.00 H +ATOM 374 HD12 LEU A 25 -14.798 6.598 -15.208 1.00 1.00 H +ATOM 375 HD13 LEU A 25 -16.466 6.732 -15.815 1.00 1.00 H +ATOM 376 HD21 LEU A 25 -13.691 3.994 -17.072 1.00 1.00 H +ATOM 377 HD22 LEU A 25 -14.346 5.336 -18.042 1.00 1.00 H +ATOM 378 HD23 LEU A 25 -13.512 5.672 -16.506 1.00 1.00 H +ATOM 379 N SER A 26 -18.872 3.285 -16.910 1.00 1.00 N +ATOM 380 CA SER A 26 -19.685 3.599 -18.072 1.00 1.00 C +ATOM 381 C SER A 26 -19.346 5.000 -18.584 1.00 1.00 C +ATOM 382 O SER A 26 -19.748 5.377 -19.685 1.00 1.00 O +ATOM 383 CB SER A 26 -21.176 3.501 -17.743 1.00 1.00 C +ATOM 384 OG SER A 26 -21.992 3.784 -18.877 1.00 1.00 O +ATOM 385 H SER A 26 -19.365 3.272 -16.039 1.00 1.00 H +ATOM 386 HA SER A 26 -19.427 2.847 -18.816 1.00 1.00 H +ATOM 387 HB2 SER A 26 -21.401 2.499 -17.376 1.00 1.00 H +ATOM 388 HB3 SER A 26 -21.418 4.197 -16.940 1.00 1.00 H +ATOM 389 HG SER A 26 -22.774 3.160 -18.900 1.00 1.00 H +ATOM 390 N SER A 27 -18.611 5.735 -17.764 1.00 1.00 N +ATOM 391 CA SER A 27 -18.213 7.086 -18.120 1.00 1.00 C +ATOM 392 C SER A 27 -19.452 7.965 -18.302 1.00 1.00 C +ATOM 393 O SER A 27 -20.324 7.656 -19.113 1.00 1.00 O +ATOM 394 CB SER A 27 -17.366 7.093 -19.395 1.00 1.00 C +ATOM 395 OG SER A 27 -16.047 6.607 -19.162 1.00 1.00 O +ATOM 396 H SER A 27 -18.287 5.421 -16.871 1.00 1.00 H +ATOM 397 HA SER A 27 -17.611 7.440 -17.284 1.00 1.00 H +ATOM 398 HB2 SER A 27 -17.850 6.478 -20.154 1.00 1.00 H +ATOM 399 HB3 SER A 27 -17.314 8.106 -19.791 1.00 1.00 H +ATOM 400 HG SER A 27 -16.081 5.653 -18.864 1.00 1.00 H +ATOM 401 N GLY A 28 -19.490 9.044 -17.534 1.00 1.00 N +ATOM 402 CA GLY A 28 -20.608 9.970 -17.599 1.00 1.00 C +ATOM 403 C GLY A 28 -20.471 11.070 -16.544 1.00 1.00 C +ATOM 404 O GLY A 28 -21.185 11.067 -15.542 1.00 1.00 O +ATOM 405 H GLY A 28 -18.776 9.288 -16.877 1.00 1.00 H +ATOM 406 HA2 GLY A 28 -20.656 10.417 -18.592 1.00 1.00 H +ATOM 407 HA3 GLY A 28 -21.542 9.430 -17.447 1.00 1.00 H +ATOM 408 N ILE A 29 -19.549 11.985 -16.807 1.00 1.00 N +ATOM 409 CA ILE A 29 -19.309 13.089 -15.892 1.00 1.00 C +ATOM 410 C ILE A 29 -18.761 14.284 -16.675 1.00 1.00 C +ATOM 411 O ILE A 29 -18.679 14.241 -17.901 1.00 1.00 O +ATOM 412 CB ILE A 29 -18.409 12.643 -14.738 1.00 1.00 C +ATOM 413 CG1 ILE A 29 -17.430 11.560 -15.194 1.00 1.00 C +ATOM 414 CG2 ILE A 29 -19.241 12.195 -13.535 1.00 1.00 C +ATOM 415 CD1 ILE A 29 -16.201 11.514 -14.284 1.00 1.00 C +ATOM 416 H ILE A 29 -18.973 11.981 -17.624 1.00 1.00 H +ATOM 417 HA ILE A 29 -20.271 13.371 -15.461 1.00 1.00 H +ATOM 418 HB ILE A 29 -17.815 13.500 -14.418 1.00 1.00 H +ATOM 419 HG12 ILE A 29 -17.927 10.590 -15.190 1.00 1.00 H +ATOM 420 HG13 ILE A 29 -17.119 11.754 -16.220 1.00 1.00 H +ATOM 421 HG21 ILE A 29 -19.900 13.006 -13.227 1.00 1.00 H +ATOM 422 HG22 ILE A 29 -19.838 11.325 -13.811 1.00 1.00 H +ATOM 423 HG23 ILE A 29 -18.577 11.933 -12.712 1.00 1.00 H +ATOM 424 HD11 ILE A 29 -16.342 12.200 -13.449 1.00 1.00 H +ATOM 425 HD12 ILE A 29 -16.069 10.501 -13.903 1.00 1.00 H +ATOM 426 HD13 ILE A 29 -15.317 11.806 -14.851 1.00 1.00 H +ATOM 427 N ASN A 30 -18.398 15.320 -15.933 1.00 1.00 N +ATOM 428 CA ASN A 30 -17.859 16.524 -16.542 1.00 1.00 C +ATOM 429 C ASN A 30 -16.400 16.283 -16.935 1.00 1.00 C +ATOM 430 O ASN A 30 -15.810 17.076 -17.666 1.00 1.00 O +ATOM 431 CB ASN A 30 -17.898 17.700 -15.565 1.00 1.00 C +ATOM 432 CG ASN A 30 -18.550 18.927 -16.209 1.00 1.00 C +ATOM 433 OD1 ASN A 30 -19.698 18.907 -16.619 1.00 1.00 O +ATOM 434 ND2 ASN A 30 -17.754 19.990 -16.274 1.00 1.00 N +ATOM 435 H ASN A 30 -18.467 15.346 -14.937 1.00 1.00 H +ATOM 436 HA ASN A 30 -18.496 16.719 -17.406 1.00 1.00 H +ATOM 437 HB2 ASN A 30 -18.453 17.417 -14.671 1.00 1.00 H +ATOM 438 HB3 ASN A 30 -16.885 17.948 -15.247 1.00 1.00 H +ATOM 439 HD21 ASN A 30 -16.820 19.939 -15.919 1.00 1.00 H +ATOM 440 HD22 ASN A 30 -18.089 20.841 -16.679 1.00 1.00 H +ATOM 441 N GLY A 31 -15.859 15.183 -16.429 1.00 1.00 N +ATOM 442 CA GLY A 31 -14.480 14.828 -16.717 1.00 1.00 C +ATOM 443 C GLY A 31 -13.726 14.472 -15.434 1.00 1.00 C +ATOM 444 O GLY A 31 -13.402 15.351 -14.636 1.00 1.00 O +ATOM 445 H GLY A 31 -16.345 14.543 -15.834 1.00 1.00 H +ATOM 446 HA2 GLY A 31 -14.455 13.982 -17.405 1.00 1.00 H +ATOM 447 HA3 GLY A 31 -13.983 15.660 -17.216 1.00 1.00 H +ATOM 448 N SER A 32 -13.469 13.182 -15.276 1.00 1.00 N +ATOM 449 CA SER A 32 -12.760 12.699 -14.103 1.00 1.00 C +ATOM 450 C SER A 32 -11.733 11.641 -14.511 1.00 1.00 C +ATOM 451 O SER A 32 -12.068 10.681 -15.205 1.00 1.00 O +ATOM 452 CB SER A 32 -13.731 12.125 -13.069 1.00 1.00 C +ATOM 453 OG SER A 32 -13.987 10.740 -13.288 1.00 1.00 O +ATOM 454 H SER A 32 -13.737 12.473 -15.929 1.00 1.00 H +ATOM 455 HA SER A 32 -12.262 13.573 -13.686 1.00 1.00 H +ATOM 456 HB2 SER A 32 -13.321 12.263 -12.069 1.00 1.00 H +ATOM 457 HB3 SER A 32 -14.670 12.678 -13.108 1.00 1.00 H +ATOM 458 HG SER A 32 -13.911 10.528 -14.263 1.00 1.00 H +ATOM 459 N PHE A 33 -10.504 11.851 -14.064 1.00 1.00 N +ATOM 460 CA PHE A 33 -9.427 10.927 -14.375 1.00 1.00 C +ATOM 461 C PHE A 33 -9.076 10.066 -13.159 1.00 1.00 C +ATOM 462 O PHE A 33 -9.419 10.411 -12.030 1.00 1.00 O +ATOM 463 CB PHE A 33 -8.210 11.771 -14.756 1.00 1.00 C +ATOM 464 CG PHE A 33 -8.534 12.950 -15.676 1.00 1.00 C +ATOM 465 CD1 PHE A 33 -9.756 13.541 -15.619 1.00 1.00 C +ATOM 466 CD2 PHE A 33 -7.597 13.407 -16.551 1.00 1.00 C +ATOM 467 CE1 PHE A 33 -10.058 14.636 -16.473 1.00 1.00 C +ATOM 468 CE2 PHE A 33 -7.899 14.501 -17.404 1.00 1.00 C +ATOM 469 CZ PHE A 33 -9.121 15.093 -17.347 1.00 1.00 C +ATOM 470 H PHE A 33 -10.241 12.633 -13.501 1.00 1.00 H +ATOM 471 HA PHE A 33 -9.774 10.285 -15.184 1.00 1.00 H +ATOM 472 HB2 PHE A 33 -7.744 12.150 -13.846 1.00 1.00 H +ATOM 473 HB3 PHE A 33 -7.475 11.132 -15.247 1.00 1.00 H +ATOM 474 HD1 PHE A 33 -10.507 13.175 -14.918 1.00 1.00 H +ATOM 475 HD2 PHE A 33 -6.617 12.933 -16.596 1.00 1.00 H +ATOM 476 HE1 PHE A 33 -11.038 15.110 -16.427 1.00 1.00 H +ATOM 477 HE2 PHE A 33 -7.148 14.867 -18.105 1.00 1.00 H +ATOM 478 HZ PHE A 33 -9.352 15.932 -18.002 1.00 1.00 H +ATOM 479 N LEU A 34 -8.395 8.963 -13.433 1.00 1.00 N +ATOM 480 CA LEU A 34 -7.993 8.049 -12.376 1.00 1.00 C +ATOM 481 C LEU A 34 -6.722 7.312 -12.802 1.00 1.00 C +ATOM 482 O LEU A 34 -6.614 6.859 -13.941 1.00 1.00 O +ATOM 483 CB LEU A 34 -9.149 7.119 -12.004 1.00 1.00 C +ATOM 484 CG LEU A 34 -9.545 6.085 -13.059 1.00 1.00 C +ATOM 485 CD1 LEU A 34 -9.545 6.704 -14.459 1.00 1.00 C +ATOM 486 CD2 LEU A 34 -8.648 4.849 -12.979 1.00 1.00 C +ATOM 487 H LEU A 34 -8.119 8.690 -14.355 1.00 1.00 H +ATOM 488 HA LEU A 34 -7.765 8.650 -11.495 1.00 1.00 H +ATOM 489 HB2 LEU A 34 -8.883 6.591 -11.089 1.00 1.00 H +ATOM 490 HB3 LEU A 34 -10.023 7.731 -11.776 1.00 1.00 H +ATOM 491 HG LEU A 34 -10.564 5.759 -12.852 1.00 1.00 H +ATOM 492 HD11 LEU A 34 -9.987 7.699 -14.417 1.00 1.00 H +ATOM 493 HD12 LEU A 34 -8.520 6.777 -14.824 1.00 1.00 H +ATOM 494 HD13 LEU A 34 -10.126 6.076 -15.134 1.00 1.00 H +ATOM 495 HD21 LEU A 34 -8.735 4.400 -11.990 1.00 1.00 H +ATOM 496 HD22 LEU A 34 -8.959 4.125 -13.734 1.00 1.00 H +ATOM 497 HD23 LEU A 34 -7.612 5.138 -13.157 1.00 1.00 H +ATOM 498 N VAL A 35 -5.790 7.214 -11.864 1.00 1.00 N +ATOM 499 CA VAL A 35 -4.532 6.538 -12.128 1.00 1.00 C +ATOM 500 C VAL A 35 -4.715 5.032 -11.933 1.00 1.00 C +ATOM 501 O VAL A 35 -5.496 4.603 -11.085 1.00 1.00 O +ATOM 502 CB VAL A 35 -3.428 7.125 -11.245 1.00 1.00 C +ATOM 503 CG1 VAL A 35 -2.105 6.387 -11.457 1.00 1.00 C +ATOM 504 CG2 VAL A 35 -3.265 8.626 -11.496 1.00 1.00 C +ATOM 505 H VAL A 35 -5.886 7.585 -10.941 1.00 1.00 H +ATOM 506 HA VAL A 35 -4.269 6.728 -13.168 1.00 1.00 H +ATOM 507 HB VAL A 35 -3.724 6.991 -10.205 1.00 1.00 H +ATOM 508 HG11 VAL A 35 -2.287 5.312 -11.466 1.00 1.00 H +ATOM 509 HG12 VAL A 35 -1.669 6.689 -12.409 1.00 1.00 H +ATOM 510 HG13 VAL A 35 -1.418 6.633 -10.648 1.00 1.00 H +ATOM 511 HG21 VAL A 35 -4.036 8.964 -12.188 1.00 1.00 H +ATOM 512 HG22 VAL A 35 -3.361 9.164 -10.554 1.00 1.00 H +ATOM 513 HG23 VAL A 35 -2.282 8.818 -11.926 1.00 1.00 H +ATOM 514 N ARG A 36 -3.982 4.271 -12.732 1.00 1.00 N +ATOM 515 CA ARG A 36 -4.054 2.821 -12.658 1.00 1.00 C +ATOM 516 C ARG A 36 -2.708 2.245 -12.219 1.00 1.00 C +ATOM 517 O ARG A 36 -1.712 2.965 -12.150 1.00 1.00 O +ATOM 518 CB ARG A 36 -4.443 2.220 -14.010 1.00 1.00 C +ATOM 519 CG ARG A 36 -4.689 3.316 -15.048 1.00 1.00 C +ATOM 520 CD ARG A 36 -5.500 2.781 -16.229 1.00 1.00 C +ATOM 521 NE ARG A 36 -5.089 3.465 -17.476 1.00 1.00 N +ATOM 522 CZ ARG A 36 -4.263 2.933 -18.388 1.00 1.00 C +ATOM 523 NH1 ARG A 36 -3.756 1.708 -18.198 1.00 1.00 N +ATOM 524 NH2 ARG A 36 -3.947 3.627 -19.490 1.00 1.00 N +ATOM 525 H ARG A 36 -3.350 4.627 -13.419 1.00 1.00 H +ATOM 526 HA ARG A 36 -4.828 2.618 -11.917 1.00 1.00 H +ATOM 527 HB2 ARG A 36 -3.652 1.555 -14.357 1.00 1.00 H +ATOM 528 HB3 ARG A 36 -5.342 1.613 -13.897 1.00 1.00 H +ATOM 529 HG2 ARG A 36 -5.220 4.148 -14.585 1.00 1.00 H +ATOM 530 HG3 ARG A 36 -3.735 3.705 -15.403 1.00 1.00 H +ATOM 531 HD2 ARG A 36 -5.349 1.706 -16.328 1.00 1.00 H +ATOM 532 HD3 ARG A 36 -6.564 2.938 -16.053 1.00 1.00 H +ATOM 533 HE ARG A 36 -5.451 4.381 -17.650 1.00 1.00 H +ATOM 534 HH11 ARG A 36 -3.992 1.191 -17.375 1.00 1.00 H +ATOM 535 HH12 ARG A 36 -3.139 1.312 -18.878 1.00 1.00 H +ATOM 536 HH21 ARG A 36 -4.326 4.541 -19.632 1.00 1.00 H +ATOM 537 HH22 ARG A 36 -3.331 3.230 -20.170 1.00 1.00 H +ATOM 538 N GLU A 37 -2.718 0.951 -11.934 1.00 1.00 N +ATOM 539 CA GLU A 37 -1.509 0.269 -11.504 1.00 1.00 C +ATOM 540 C GLU A 37 -1.214 -0.918 -12.423 1.00 1.00 C +ATOM 541 O GLU A 37 -1.790 -1.030 -13.503 1.00 1.00 O +ATOM 542 CB GLU A 37 -1.623 -0.181 -10.046 1.00 1.00 C +ATOM 543 CG GLU A 37 -0.638 0.582 -9.157 1.00 1.00 C +ATOM 544 CD GLU A 37 0.543 -0.306 -8.761 1.00 1.00 C +ATOM 545 OE1 GLU A 37 0.321 -1.531 -8.651 1.00 1.00 O +ATOM 546 OE2 GLU A 37 1.642 0.262 -8.576 1.00 1.00 O +ATOM 547 H GLU A 37 -3.532 0.372 -11.993 1.00 1.00 H +ATOM 548 HA GLU A 37 -0.714 1.009 -11.588 1.00 1.00 H +ATOM 549 HB2 GLU A 37 -2.641 -0.019 -9.690 1.00 1.00 H +ATOM 550 HB3 GLU A 37 -1.427 -1.252 -9.975 1.00 1.00 H +ATOM 551 HG2 GLU A 37 -0.275 1.463 -9.685 1.00 1.00 H +ATOM 552 HG3 GLU A 37 -1.149 0.935 -8.262 1.00 1.00 H +ATOM 553 N SER A 38 -0.315 -1.774 -11.960 1.00 1.00 N +ATOM 554 CA SER A 38 0.065 -2.948 -12.726 1.00 1.00 C +ATOM 555 C SER A 38 -1.172 -3.570 -13.379 1.00 1.00 C +ATOM 556 O SER A 38 -2.187 -3.782 -12.718 1.00 1.00 O +ATOM 557 CB SER A 38 0.772 -3.979 -11.844 1.00 1.00 C +ATOM 558 OG SER A 38 0.308 -5.303 -12.092 1.00 1.00 O +ATOM 559 H SER A 38 0.149 -1.677 -11.080 1.00 1.00 H +ATOM 560 HA SER A 38 0.756 -2.586 -13.487 1.00 1.00 H +ATOM 561 HB2 SER A 38 1.847 -3.931 -12.022 1.00 1.00 H +ATOM 562 HB3 SER A 38 0.611 -3.729 -10.795 1.00 1.00 H +ATOM 563 HG SER A 38 0.564 -5.902 -11.333 1.00 1.00 H +ATOM 564 N GLU A 39 -1.047 -3.843 -14.670 1.00 1.00 N +ATOM 565 CA GLU A 39 -2.141 -4.435 -15.419 1.00 1.00 C +ATOM 566 C GLU A 39 -1.666 -5.694 -16.148 1.00 1.00 C +ATOM 567 O GLU A 39 -2.309 -6.739 -16.073 1.00 1.00 O +ATOM 568 CB GLU A 39 -2.744 -3.427 -16.399 1.00 1.00 C +ATOM 569 CG GLU A 39 -3.753 -4.103 -17.330 1.00 1.00 C +ATOM 570 CD GLU A 39 -3.361 -3.908 -18.797 1.00 1.00 C +ATOM 571 OE1 GLU A 39 -2.566 -4.738 -19.287 1.00 1.00 O +ATOM 572 OE2 GLU A 39 -3.865 -2.933 -19.394 1.00 1.00 O +ATOM 573 H GLU A 39 -0.218 -3.668 -15.200 1.00 1.00 H +ATOM 574 HA GLU A 39 -2.893 -4.701 -14.674 1.00 1.00 H +ATOM 575 HB2 GLU A 39 -3.234 -2.626 -15.847 1.00 1.00 H +ATOM 576 HB3 GLU A 39 -1.950 -2.968 -16.989 1.00 1.00 H +ATOM 577 HG2 GLU A 39 -3.806 -5.168 -17.103 1.00 1.00 H +ATOM 578 HG3 GLU A 39 -4.745 -3.689 -17.158 1.00 1.00 H +ATOM 579 N SER A 40 -0.544 -5.551 -16.838 1.00 1.00 N +ATOM 580 CA SER A 40 0.025 -6.662 -17.581 1.00 1.00 C +ATOM 581 C SER A 40 1.517 -6.791 -17.270 1.00 1.00 C +ATOM 582 O SER A 40 2.218 -7.588 -17.890 1.00 1.00 O +ATOM 583 CB SER A 40 -0.190 -6.486 -19.086 1.00 1.00 C +ATOM 584 OG SER A 40 0.503 -7.475 -19.843 1.00 1.00 O +ATOM 585 H SER A 40 -0.027 -4.696 -16.894 1.00 1.00 H +ATOM 586 HA SER A 40 -0.516 -7.544 -17.238 1.00 1.00 H +ATOM 587 HB2 SER A 40 -1.256 -6.539 -19.309 1.00 1.00 H +ATOM 588 HB3 SER A 40 0.150 -5.495 -19.387 1.00 1.00 H +ATOM 589 HG SER A 40 0.022 -8.350 -19.785 1.00 1.00 H +ATOM 590 N SER A 41 1.959 -5.994 -16.308 1.00 1.00 N +ATOM 591 CA SER A 41 3.355 -6.008 -15.906 1.00 1.00 C +ATOM 592 C SER A 41 3.462 -6.187 -14.390 1.00 1.00 C +ATOM 593 O SER A 41 2.590 -5.740 -13.646 1.00 1.00 O +ATOM 594 CB SER A 41 4.067 -4.726 -16.340 1.00 1.00 C +ATOM 595 OG SER A 41 5.052 -4.974 -17.339 1.00 1.00 O +ATOM 596 H SER A 41 1.382 -5.348 -15.807 1.00 1.00 H +ATOM 597 HA SER A 41 3.795 -6.860 -16.424 1.00 1.00 H +ATOM 598 HB2 SER A 41 3.334 -4.015 -16.722 1.00 1.00 H +ATOM 599 HB3 SER A 41 4.538 -4.261 -15.474 1.00 1.00 H +ATOM 600 HG SER A 41 5.652 -4.179 -17.433 1.00 1.00 H +ATOM 601 N PRO A 42 4.566 -6.859 -13.967 1.00 1.00 N +ATOM 602 CA PRO A 42 4.798 -7.103 -12.553 1.00 1.00 C +ATOM 603 C PRO A 42 5.260 -5.826 -11.845 1.00 1.00 C +ATOM 604 O PRO A 42 6.326 -5.804 -11.232 1.00 1.00 O +ATOM 605 CB PRO A 42 5.833 -8.214 -12.510 1.00 1.00 C +ATOM 606 CG PRO A 42 6.484 -8.230 -13.884 1.00 1.00 C +ATOM 607 CD PRO A 42 5.619 -7.402 -14.819 1.00 1.00 C +ATOM 608 HA PRO A 42 3.947 -7.371 -12.103 1.00 1.00 H +ATOM 609 HB2 PRO A 42 6.572 -8.029 -11.731 1.00 1.00 H +ATOM 610 HB3 PRO A 42 5.368 -9.174 -12.287 1.00 1.00 H +ATOM 611 HG2 PRO A 42 7.493 -7.821 -13.833 1.00 1.00 H +ATOM 612 HG3 PRO A 42 6.573 -9.253 -14.252 1.00 1.00 H +ATOM 613 HD2 PRO A 42 6.196 -6.607 -15.292 1.00 1.00 H +ATOM 614 HD3 PRO A 42 5.205 -8.013 -15.621 1.00 1.00 H +ATOM 615 N GLY A 43 4.434 -4.796 -11.954 1.00 1.00 N +ATOM 616 CA GLY A 43 4.744 -3.520 -11.332 1.00 1.00 C +ATOM 617 C GLY A 43 4.787 -2.399 -12.373 1.00 1.00 C +ATOM 618 O GLY A 43 5.863 -1.943 -12.755 1.00 1.00 O +ATOM 619 H GLY A 43 3.569 -4.823 -12.455 1.00 1.00 H +ATOM 620 HA2 GLY A 43 3.996 -3.289 -10.574 1.00 1.00 H +ATOM 621 HA3 GLY A 43 5.706 -3.584 -10.822 1.00 1.00 H +ATOM 622 N GLN A 44 3.603 -1.987 -12.800 1.00 1.00 N +ATOM 623 CA GLN A 44 3.490 -0.928 -13.789 1.00 1.00 C +ATOM 624 C GLN A 44 2.388 0.055 -13.390 1.00 1.00 C +ATOM 625 O GLN A 44 1.444 -0.314 -12.694 1.00 1.00 O +ATOM 626 CB GLN A 44 3.234 -1.504 -15.183 1.00 1.00 C +ATOM 627 CG GLN A 44 4.379 -1.159 -16.138 1.00 1.00 C +ATOM 628 CD GLN A 44 3.841 -0.633 -17.470 1.00 1.00 C +ATOM 629 OE1 GLN A 44 3.130 -1.310 -18.193 1.00 1.00 O +ATOM 630 NE2 GLN A 44 4.220 0.610 -17.754 1.00 1.00 N +ATOM 631 H GLN A 44 2.732 -2.363 -12.483 1.00 1.00 H +ATOM 632 HA GLN A 44 4.457 -0.423 -13.783 1.00 1.00 H +ATOM 633 HB2 GLN A 44 3.124 -2.586 -15.118 1.00 1.00 H +ATOM 634 HB3 GLN A 44 2.297 -1.110 -15.576 1.00 1.00 H +ATOM 635 HG2 GLN A 44 5.025 -0.409 -15.680 1.00 1.00 H +ATOM 636 HG3 GLN A 44 4.991 -2.043 -16.312 1.00 1.00 H +ATOM 637 HE21 GLN A 44 4.806 1.112 -17.117 1.00 1.00 H +ATOM 638 HE22 GLN A 44 3.920 1.043 -18.604 1.00 1.00 H +ATOM 639 N ARG A 45 2.546 1.289 -13.849 1.00 1.00 N +ATOM 640 CA ARG A 45 1.576 2.328 -13.549 1.00 1.00 C +ATOM 641 C ARG A 45 1.145 3.039 -14.834 1.00 1.00 C +ATOM 642 O ARG A 45 1.985 3.414 -15.651 1.00 1.00 O +ATOM 643 CB ARG A 45 2.153 3.357 -12.574 1.00 1.00 C +ATOM 644 CG ARG A 45 2.649 2.680 -11.295 1.00 1.00 C +ATOM 645 CD ARG A 45 4.105 2.232 -11.439 1.00 1.00 C +ATOM 646 NE ARG A 45 4.689 1.975 -10.104 1.00 1.00 N +ATOM 647 CZ ARG A 45 4.496 0.849 -9.404 1.00 1.00 C +ATOM 648 NH1 ARG A 45 3.731 -0.130 -9.907 1.00 1.00 N +ATOM 649 NH2 ARG A 45 5.066 0.702 -8.200 1.00 1.00 N +ATOM 650 H ARG A 45 3.317 1.581 -14.415 1.00 1.00 H +ATOM 651 HA ARG A 45 0.737 1.803 -13.091 1.00 1.00 H +ATOM 652 HB2 ARG A 45 2.976 3.891 -13.050 1.00 1.00 H +ATOM 653 HB3 ARG A 45 1.392 4.097 -12.328 1.00 1.00 H +ATOM 654 HG2 ARG A 45 2.558 3.371 -10.456 1.00 1.00 H +ATOM 655 HG3 ARG A 45 2.020 1.820 -11.067 1.00 1.00 H +ATOM 656 HD2 ARG A 45 4.157 1.331 -12.049 1.00 1.00 H +ATOM 657 HD3 ARG A 45 4.681 3.000 -11.956 1.00 1.00 H +ATOM 658 HE ARG A 45 5.265 2.685 -9.700 1.00 1.00 H +ATOM 659 HH11 ARG A 45 3.306 -0.020 -10.805 1.00 1.00 H +ATOM 660 HH12 ARG A 45 3.587 -0.971 -9.384 1.00 1.00 H +ATOM 661 HH21 ARG A 45 5.637 1.432 -7.825 1.00 1.00 H +ATOM 662 HH22 ARG A 45 4.922 -0.139 -7.678 1.00 1.00 H +ATOM 663 N SER A 46 -0.162 3.203 -14.972 1.00 1.00 N +ATOM 664 CA SER A 46 -0.714 3.862 -16.143 1.00 1.00 C +ATOM 665 C SER A 46 -1.677 4.970 -15.715 1.00 1.00 C +ATOM 666 O SER A 46 -1.937 5.147 -14.525 1.00 1.00 O +ATOM 667 CB SER A 46 -1.429 2.860 -17.054 1.00 1.00 C +ATOM 668 OG SER A 46 -0.510 2.020 -17.748 1.00 1.00 O +ATOM 669 H SER A 46 -0.838 2.894 -14.302 1.00 1.00 H +ATOM 670 HA SER A 46 0.143 4.282 -16.669 1.00 1.00 H +ATOM 671 HB2 SER A 46 -2.102 2.245 -16.458 1.00 1.00 H +ATOM 672 HB3 SER A 46 -2.043 3.400 -17.774 1.00 1.00 H +ATOM 673 HG SER A 46 -1.009 1.351 -18.299 1.00 1.00 H +ATOM 674 N ILE A 47 -2.182 5.689 -16.707 1.00 1.00 N +ATOM 675 CA ILE A 47 -3.110 6.776 -16.448 1.00 1.00 C +ATOM 676 C ILE A 47 -4.387 6.554 -17.262 1.00 1.00 C +ATOM 677 O ILE A 47 -4.330 6.366 -18.475 1.00 1.00 O +ATOM 678 CB ILE A 47 -2.441 8.126 -16.710 1.00 1.00 C +ATOM 679 CG1 ILE A 47 -1.848 8.704 -15.422 1.00 1.00 C +ATOM 680 CG2 ILE A 47 -3.413 9.099 -17.380 1.00 1.00 C +ATOM 681 CD1 ILE A 47 -2.877 8.686 -14.290 1.00 1.00 C +ATOM 682 H ILE A 47 -1.965 5.539 -17.672 1.00 1.00 H +ATOM 683 HA ILE A 47 -3.364 6.742 -15.389 1.00 1.00 H +ATOM 684 HB ILE A 47 -1.614 7.969 -17.403 1.00 1.00 H +ATOM 685 HG12 ILE A 47 -0.971 8.125 -15.131 1.00 1.00 H +ATOM 686 HG13 ILE A 47 -1.513 9.726 -15.599 1.00 1.00 H +ATOM 687 HG21 ILE A 47 -4.381 9.046 -16.883 1.00 1.00 H +ATOM 688 HG22 ILE A 47 -3.022 10.114 -17.304 1.00 1.00 H +ATOM 689 HG23 ILE A 47 -3.529 8.833 -18.430 1.00 1.00 H +ATOM 690 HD11 ILE A 47 -3.882 8.666 -14.712 1.00 1.00 H +ATOM 691 HD12 ILE A 47 -2.723 7.800 -13.673 1.00 1.00 H +ATOM 692 HD13 ILE A 47 -2.757 9.580 -13.678 1.00 1.00 H +ATOM 693 N SER A 48 -5.510 6.584 -16.559 1.00 1.00 N +ATOM 694 CA SER A 48 -6.800 6.389 -17.201 1.00 1.00 C +ATOM 695 C SER A 48 -7.630 7.670 -17.107 1.00 1.00 C +ATOM 696 O SER A 48 -7.698 8.294 -16.049 1.00 1.00 O +ATOM 697 CB SER A 48 -7.556 5.218 -16.571 1.00 1.00 C +ATOM 698 OG SER A 48 -7.105 4.940 -15.248 1.00 1.00 O +ATOM 699 H SER A 48 -5.548 6.737 -15.572 1.00 1.00 H +ATOM 700 HA SER A 48 -6.572 6.156 -18.241 1.00 1.00 H +ATOM 701 HB2 SER A 48 -8.622 5.446 -16.549 1.00 1.00 H +ATOM 702 HB3 SER A 48 -7.432 4.330 -17.191 1.00 1.00 H +ATOM 703 HG SER A 48 -6.867 5.792 -14.781 1.00 1.00 H +ATOM 704 N LEU A 49 -8.240 8.026 -18.227 1.00 1.00 N +ATOM 705 CA LEU A 49 -9.063 9.222 -18.285 1.00 1.00 C +ATOM 706 C LEU A 49 -10.491 8.835 -18.680 1.00 1.00 C +ATOM 707 O LEU A 49 -10.689 8.020 -19.580 1.00 1.00 O +ATOM 708 CB LEU A 49 -8.431 10.264 -19.208 1.00 1.00 C +ATOM 709 CG LEU A 49 -6.913 10.171 -19.384 1.00 1.00 C +ATOM 710 CD1 LEU A 49 -6.193 10.413 -18.056 1.00 1.00 C +ATOM 711 CD2 LEU A 49 -6.515 8.837 -20.017 1.00 1.00 C +ATOM 712 H LEU A 49 -8.180 7.513 -19.084 1.00 1.00 H +ATOM 713 HA LEU A 49 -9.087 9.650 -17.283 1.00 1.00 H +ATOM 714 HB2 LEU A 49 -8.895 10.182 -20.190 1.00 1.00 H +ATOM 715 HB3 LEU A 49 -8.672 11.255 -18.824 1.00 1.00 H +ATOM 716 HG LEU A 49 -6.600 10.959 -20.068 1.00 1.00 H +ATOM 717 HD11 LEU A 49 -6.609 11.297 -17.572 1.00 1.00 H +ATOM 718 HD12 LEU A 49 -6.324 9.548 -17.408 1.00 1.00 H +ATOM 719 HD13 LEU A 49 -5.130 10.568 -18.243 1.00 1.00 H +ATOM 720 HD21 LEU A 49 -7.368 8.422 -20.555 1.00 1.00 H +ATOM 721 HD22 LEU A 49 -5.690 8.996 -20.711 1.00 1.00 H +ATOM 722 HD23 LEU A 49 -6.204 8.142 -19.236 1.00 1.00 H +ATOM 723 N ARG A 50 -11.446 9.440 -17.990 1.00 1.00 N +ATOM 724 CA ARG A 50 -12.848 9.168 -18.259 1.00 1.00 C +ATOM 725 C ARG A 50 -13.558 10.446 -18.712 1.00 1.00 C +ATOM 726 O ARG A 50 -13.614 11.425 -17.971 1.00 1.00 O +ATOM 727 CB ARG A 50 -13.550 8.617 -17.016 1.00 1.00 C +ATOM 728 CG ARG A 50 -15.039 8.387 -17.284 1.00 1.00 C +ATOM 729 CD ARG A 50 -15.901 9.118 -16.253 1.00 1.00 C +ATOM 730 NE ARG A 50 -15.562 8.653 -14.890 1.00 1.00 N +ATOM 731 CZ ARG A 50 -16.470 8.296 -13.970 1.00 1.00 C +ATOM 732 NH1 ARG A 50 -17.776 8.349 -14.263 1.00 1.00 N +ATOM 733 NH2 ARG A 50 -16.071 7.886 -12.758 1.00 1.00 N +ATOM 734 H ARG A 50 -11.276 10.101 -17.260 1.00 1.00 H +ATOM 735 HA ARG A 50 -12.841 8.421 -19.052 1.00 1.00 H +ATOM 736 HB2 ARG A 50 -13.082 7.679 -16.715 1.00 1.00 H +ATOM 737 HB3 ARG A 50 -13.429 9.313 -16.187 1.00 1.00 H +ATOM 738 HG2 ARG A 50 -15.290 8.735 -18.286 1.00 1.00 H +ATOM 739 HG3 ARG A 50 -15.257 7.319 -17.254 1.00 1.00 H +ATOM 740 HD2 ARG A 50 -15.741 10.193 -16.329 1.00 1.00 H +ATOM 741 HD3 ARG A 50 -16.957 8.938 -16.455 1.00 1.00 H +ATOM 742 HE ARG A 50 -14.596 8.602 -14.638 1.00 1.00 H +ATOM 743 HH11 ARG A 50 -18.074 8.655 -15.167 1.00 1.00 H +ATOM 744 HH12 ARG A 50 -18.454 8.082 -13.578 1.00 1.00 H +ATOM 745 HH21 ARG A 50 -15.096 7.847 -12.540 1.00 1.00 H +ATOM 746 HH22 ARG A 50 -16.748 7.620 -12.073 1.00 1.00 H +ATOM 747 N TYR A 51 -14.083 10.393 -19.927 1.00 1.00 N +ATOM 748 CA TYR A 51 -14.787 11.534 -20.489 1.00 1.00 C +ATOM 749 C TYR A 51 -16.290 11.435 -20.222 1.00 1.00 C +ATOM 750 O TYR A 51 -16.716 10.766 -19.282 1.00 1.00 O +ATOM 751 CB TYR A 51 -14.543 11.480 -21.998 1.00 1.00 C +ATOM 752 CG TYR A 51 -13.771 12.680 -22.548 1.00 1.00 C +ATOM 753 CD1 TYR A 51 -14.409 13.894 -22.711 1.00 1.00 C +ATOM 754 CD2 TYR A 51 -12.438 12.551 -22.878 1.00 1.00 C +ATOM 755 CE1 TYR A 51 -13.682 15.025 -23.228 1.00 1.00 C +ATOM 756 CE2 TYR A 51 -11.711 13.682 -23.395 1.00 1.00 C +ATOM 757 CZ TYR A 51 -12.369 14.863 -23.545 1.00 1.00 C +ATOM 758 OH TYR A 51 -11.682 15.930 -24.034 1.00 1.00 O +ATOM 759 H TYR A 51 -14.033 9.592 -20.524 1.00 1.00 H +ATOM 760 HA TYR A 51 -14.400 12.435 -20.013 1.00 1.00 H +ATOM 761 HB2 TYR A 51 -13.993 10.569 -22.234 1.00 1.00 H +ATOM 762 HB3 TYR A 51 -15.503 11.414 -22.508 1.00 1.00 H +ATOM 763 HD1 TYR A 51 -15.461 13.996 -22.451 1.00 1.00 H +ATOM 764 HD2 TYR A 51 -11.934 11.594 -22.748 1.00 1.00 H +ATOM 765 HE1 TYR A 51 -14.173 15.988 -23.364 1.00 1.00 H +ATOM 766 HE2 TYR A 51 -10.658 13.593 -23.661 1.00 1.00 H +ATOM 767 HH TYR A 51 -11.039 16.267 -23.346 1.00 1.00 H +ATOM 768 N GLU A 52 -17.054 12.110 -21.069 1.00 1.00 N +ATOM 769 CA GLU A 52 -18.501 12.107 -20.938 1.00 1.00 C +ATOM 770 C GLU A 52 -19.071 10.759 -21.384 1.00 1.00 C +ATOM 771 O GLU A 52 -20.245 10.665 -21.740 1.00 1.00 O +ATOM 772 CB GLU A 52 -19.126 13.256 -21.731 1.00 1.00 C +ATOM 773 CG GLU A 52 -18.988 14.581 -20.978 1.00 1.00 C +ATOM 774 CD GLU A 52 -18.317 15.642 -21.853 1.00 1.00 C +ATOM 775 OE1 GLU A 52 -17.069 15.698 -21.820 1.00 1.00 O +ATOM 776 OE2 GLU A 52 -19.069 16.373 -22.535 1.00 1.00 O +ATOM 777 H GLU A 52 -16.700 12.652 -21.832 1.00 1.00 H +ATOM 778 HA GLU A 52 -18.696 12.258 -19.876 1.00 1.00 H +ATOM 779 HB2 GLU A 52 -18.644 13.336 -22.705 1.00 1.00 H +ATOM 780 HB3 GLU A 52 -20.180 13.046 -21.913 1.00 1.00 H +ATOM 781 HG2 GLU A 52 -19.972 14.930 -20.666 1.00 1.00 H +ATOM 782 HG3 GLU A 52 -18.402 14.429 -20.071 1.00 1.00 H +ATOM 783 N GLY A 53 -18.214 9.750 -21.351 1.00 1.00 N +ATOM 784 CA GLY A 53 -18.618 8.412 -21.748 1.00 1.00 C +ATOM 785 C GLY A 53 -17.442 7.641 -22.353 1.00 1.00 C +ATOM 786 O GLY A 53 -17.471 6.413 -22.425 1.00 1.00 O +ATOM 787 H GLY A 53 -17.260 9.835 -21.060 1.00 1.00 H +ATOM 788 HA2 GLY A 53 -19.002 7.873 -20.882 1.00 1.00 H +ATOM 789 HA3 GLY A 53 -19.429 8.473 -22.472 1.00 1.00 H +ATOM 790 N ARG A 54 -16.437 8.394 -22.774 1.00 1.00 N +ATOM 791 CA ARG A 54 -15.254 7.798 -23.371 1.00 1.00 C +ATOM 792 C ARG A 54 -14.211 7.495 -22.294 1.00 1.00 C +ATOM 793 O ARG A 54 -14.222 8.103 -21.225 1.00 1.00 O +ATOM 794 CB ARG A 54 -14.640 8.726 -24.421 1.00 1.00 C +ATOM 795 CG ARG A 54 -15.065 8.315 -25.832 1.00 1.00 C +ATOM 796 CD ARG A 54 -13.855 8.209 -26.762 1.00 1.00 C +ATOM 797 NE ARG A 54 -14.304 8.046 -28.162 1.00 1.00 N +ATOM 798 CZ ARG A 54 -14.862 9.021 -28.891 1.00 1.00 C +ATOM 799 NH1 ARG A 54 -15.043 10.237 -28.357 1.00 1.00 N +ATOM 800 NH2 ARG A 54 -15.239 8.781 -30.155 1.00 1.00 N +ATOM 801 H ARG A 54 -16.421 9.392 -22.712 1.00 1.00 H +ATOM 802 HA ARG A 54 -15.611 6.880 -23.840 1.00 1.00 H +ATOM 803 HB2 ARG A 54 -14.948 9.753 -24.229 1.00 1.00 H +ATOM 804 HB3 ARG A 54 -13.553 8.699 -24.343 1.00 1.00 H +ATOM 805 HG2 ARG A 54 -15.585 7.358 -25.795 1.00 1.00 H +ATOM 806 HG3 ARG A 54 -15.771 9.045 -26.229 1.00 1.00 H +ATOM 807 HD2 ARG A 54 -13.238 9.104 -26.672 1.00 1.00 H +ATOM 808 HD3 ARG A 54 -13.234 7.363 -26.469 1.00 1.00 H +ATOM 809 HE ARG A 54 -14.184 7.150 -28.591 1.00 1.00 H +ATOM 810 HH11 ARG A 54 -14.761 10.416 -27.415 1.00 1.00 H +ATOM 811 HH12 ARG A 54 -15.459 10.965 -28.902 1.00 1.00 H +ATOM 812 HH21 ARG A 54 -15.105 7.874 -30.553 1.00 1.00 H +ATOM 813 HH22 ARG A 54 -15.656 9.510 -30.699 1.00 1.00 H +ATOM 814 N VAL A 55 -13.332 6.556 -22.614 1.00 1.00 N +ATOM 815 CA VAL A 55 -12.284 6.166 -21.686 1.00 1.00 C +ATOM 816 C VAL A 55 -10.960 6.040 -22.444 1.00 1.00 C +ATOM 817 O VAL A 55 -10.806 5.162 -23.291 1.00 1.00 O +ATOM 818 CB VAL A 55 -12.681 4.879 -20.959 1.00 1.00 C +ATOM 819 CG1 VAL A 55 -11.885 4.715 -19.662 1.00 1.00 C +ATOM 820 CG2 VAL A 55 -14.186 4.845 -20.687 1.00 1.00 C +ATOM 821 H VAL A 55 -13.329 6.066 -23.486 1.00 1.00 H +ATOM 822 HA VAL A 55 -12.189 6.958 -20.943 1.00 1.00 H +ATOM 823 HB VAL A 55 -12.439 4.039 -21.610 1.00 1.00 H +ATOM 824 HG11 VAL A 55 -11.040 5.404 -19.664 1.00 1.00 H +ATOM 825 HG12 VAL A 55 -12.529 4.932 -18.811 1.00 1.00 H +ATOM 826 HG13 VAL A 55 -11.518 3.690 -19.589 1.00 1.00 H +ATOM 827 HG21 VAL A 55 -14.566 5.865 -20.622 1.00 1.00 H +ATOM 828 HG22 VAL A 55 -14.690 4.320 -21.498 1.00 1.00 H +ATOM 829 HG23 VAL A 55 -14.374 4.327 -19.747 1.00 1.00 H +ATOM 830 N TYR A 56 -10.038 6.931 -22.111 1.00 1.00 N +ATOM 831 CA TYR A 56 -8.732 6.931 -22.749 1.00 1.00 C +ATOM 832 C TYR A 56 -7.694 6.227 -21.872 1.00 1.00 C +ATOM 833 O TYR A 56 -7.857 6.142 -20.656 1.00 1.00 O +ATOM 834 CB TYR A 56 -8.338 8.401 -22.904 1.00 1.00 C +ATOM 835 CG TYR A 56 -8.987 9.096 -24.103 1.00 1.00 C +ATOM 836 CD1 TYR A 56 -10.241 9.661 -23.978 1.00 1.00 C +ATOM 837 CD2 TYR A 56 -8.320 9.157 -25.310 1.00 1.00 C +ATOM 838 CE1 TYR A 56 -10.851 10.314 -25.107 1.00 1.00 C +ATOM 839 CE2 TYR A 56 -8.931 9.811 -26.438 1.00 1.00 C +ATOM 840 CZ TYR A 56 -10.165 10.357 -26.281 1.00 1.00 C +ATOM 841 OH TYR A 56 -10.742 10.974 -27.347 1.00 1.00 O +ATOM 842 H TYR A 56 -10.170 7.642 -21.421 1.00 1.00 H +ATOM 843 HA TYR A 56 -8.821 6.397 -23.695 1.00 1.00 H +ATOM 844 HB2 TYR A 56 -8.612 8.938 -21.996 1.00 1.00 H +ATOM 845 HB3 TYR A 56 -7.255 8.469 -23.001 1.00 1.00 H +ATOM 846 HD1 TYR A 56 -10.767 9.613 -23.026 1.00 1.00 H +ATOM 847 HD2 TYR A 56 -7.330 8.710 -25.408 1.00 1.00 H +ATOM 848 HE1 TYR A 56 -11.840 10.765 -25.022 1.00 1.00 H +ATOM 849 HE2 TYR A 56 -8.414 9.866 -27.396 1.00 1.00 H +ATOM 850 HH TYR A 56 -10.174 10.854 -28.161 1.00 1.00 H +ATOM 851 N HIS A 57 -6.648 5.741 -22.525 1.00 1.00 N +ATOM 852 CA HIS A 57 -5.583 5.047 -21.820 1.00 1.00 C +ATOM 853 C HIS A 57 -4.240 5.704 -22.146 1.00 1.00 C +ATOM 854 O HIS A 57 -3.771 5.639 -23.281 1.00 1.00 O +ATOM 855 CB HIS A 57 -5.604 3.551 -22.142 1.00 1.00 C +ATOM 856 CG HIS A 57 -6.963 2.910 -21.990 1.00 1.00 C +ATOM 857 ND1 HIS A 57 -7.452 2.468 -20.773 1.00 1.00 N +ATOM 858 CD2 HIS A 57 -7.930 2.640 -22.914 1.00 1.00 C +ATOM 859 CE1 HIS A 57 -8.660 1.958 -20.969 1.00 1.00 C +ATOM 860 NE2 HIS A 57 -8.953 2.065 -22.296 1.00 1.00 N +ATOM 861 H HIS A 57 -6.523 5.814 -23.514 1.00 1.00 H +ATOM 862 HA HIS A 57 -5.786 5.162 -20.756 1.00 1.00 H +ATOM 863 HB2 HIS A 57 -5.256 3.404 -23.164 1.00 1.00 H +ATOM 864 HB3 HIS A 57 -4.898 3.040 -21.488 1.00 1.00 H +ATOM 865 HD1 HIS A 57 -6.976 2.525 -19.896 1.00 1.00 H +ATOM 866 HD2 HIS A 57 -7.871 2.861 -23.980 1.00 1.00 H +ATOM 867 HE1 HIS A 57 -9.304 1.528 -20.202 1.00 1.00 H +ATOM 868 N TYR A 58 -3.659 6.322 -21.128 1.00 1.00 N +ATOM 869 CA TYR A 58 -2.379 6.992 -21.291 1.00 1.00 C +ATOM 870 C TYR A 58 -1.389 6.549 -20.212 1.00 1.00 C +ATOM 871 O TYR A 58 -1.273 7.192 -19.170 1.00 1.00 O +ATOM 872 CB TYR A 58 -2.661 8.486 -21.126 1.00 1.00 C +ATOM 873 CG TYR A 58 -2.385 9.314 -22.383 1.00 1.00 C +ATOM 874 CD1 TYR A 58 -1.103 9.746 -22.656 1.00 1.00 C +ATOM 875 CD2 TYR A 58 -3.417 9.627 -23.243 1.00 1.00 C +ATOM 876 CE1 TYR A 58 -0.843 10.525 -23.839 1.00 1.00 C +ATOM 877 CE2 TYR A 58 -3.158 10.406 -24.426 1.00 1.00 C +ATOM 878 CZ TYR A 58 -1.883 10.816 -24.666 1.00 1.00 C +ATOM 879 OH TYR A 58 -1.638 11.552 -25.783 1.00 1.00 O +ATOM 880 H TYR A 58 -4.048 6.372 -20.208 1.00 1.00 H +ATOM 881 HA TYR A 58 -1.982 6.724 -22.270 1.00 1.00 H +ATOM 882 HB2 TYR A 58 -3.704 8.619 -20.838 1.00 1.00 H +ATOM 883 HB3 TYR A 58 -2.052 8.872 -20.308 1.00 1.00 H +ATOM 884 HD1 TYR A 58 -0.287 9.498 -21.977 1.00 1.00 H +ATOM 885 HD2 TYR A 58 -4.430 9.285 -23.028 1.00 1.00 H +ATOM 886 HE1 TYR A 58 0.164 10.874 -24.067 1.00 1.00 H +ATOM 887 HE2 TYR A 58 -3.963 10.661 -25.114 1.00 1.00 H +ATOM 888 HH TYR A 58 -1.781 10.992 -26.599 1.00 1.00 H +ATOM 889 N ARG A 59 -0.700 5.454 -20.499 1.00 1.00 N +ATOM 890 CA ARG A 59 0.277 4.918 -19.568 1.00 1.00 C +ATOM 891 C ARG A 59 1.103 6.051 -18.954 1.00 1.00 C +ATOM 892 O ARG A 59 1.104 7.170 -19.466 1.00 1.00 O +ATOM 893 CB ARG A 59 1.216 3.930 -20.261 1.00 1.00 C +ATOM 894 CG ARG A 59 1.321 4.231 -21.758 1.00 1.00 C +ATOM 895 CD ARG A 59 2.674 3.784 -22.313 1.00 1.00 C +ATOM 896 NE ARG A 59 2.480 2.732 -23.335 1.00 1.00 N +ATOM 897 CZ ARG A 59 2.053 2.966 -24.584 1.00 1.00 C +ATOM 898 NH1 ARG A 59 1.774 4.218 -24.972 1.00 1.00 N +ATOM 899 NH2 ARG A 59 1.906 1.949 -25.444 1.00 1.00 N +ATOM 900 H ARG A 59 -0.800 4.937 -21.350 1.00 1.00 H +ATOM 901 HA ARG A 59 -0.314 4.408 -18.807 1.00 1.00 H +ATOM 902 HB2 ARG A 59 2.205 3.981 -19.806 1.00 1.00 H +ATOM 903 HB3 ARG A 59 0.851 2.913 -20.117 1.00 1.00 H +ATOM 904 HG2 ARG A 59 0.519 3.723 -22.292 1.00 1.00 H +ATOM 905 HG3 ARG A 59 1.189 5.300 -21.927 1.00 1.00 H +ATOM 906 HD2 ARG A 59 3.197 4.636 -22.751 1.00 1.00 H +ATOM 907 HD3 ARG A 59 3.302 3.407 -21.506 1.00 1.00 H +ATOM 908 HE ARG A 59 2.680 1.786 -23.078 1.00 1.00 H +ATOM 909 HH11 ARG A 59 1.885 4.977 -24.330 1.00 1.00 H +ATOM 910 HH12 ARG A 59 1.455 4.393 -25.903 1.00 1.00 H +ATOM 911 HH21 ARG A 59 2.113 1.015 -25.154 1.00 1.00 H +ATOM 912 HH22 ARG A 59 1.586 2.124 -26.375 1.00 1.00 H +ATOM 913 N ILE A 60 1.786 5.722 -17.868 1.00 1.00 N +ATOM 914 CA ILE A 60 2.614 6.698 -17.179 1.00 1.00 C +ATOM 915 C ILE A 60 3.788 7.088 -18.078 1.00 1.00 C +ATOM 916 O ILE A 60 4.088 8.270 -18.238 1.00 1.00 O +ATOM 917 CB ILE A 60 3.037 6.169 -15.808 1.00 1.00 C +ATOM 918 CG1 ILE A 60 1.830 6.023 -14.879 1.00 1.00 C +ATOM 919 CG2 ILE A 60 4.130 7.048 -15.195 1.00 1.00 C +ATOM 920 CD1 ILE A 60 1.393 7.382 -14.330 1.00 1.00 C +ATOM 921 H ILE A 60 1.779 4.810 -17.458 1.00 1.00 H +ATOM 922 HA ILE A 60 2.001 7.583 -17.009 1.00 1.00 H +ATOM 923 HB ILE A 60 3.463 5.175 -15.942 1.00 1.00 H +ATOM 924 HG12 ILE A 60 1.004 5.563 -15.422 1.00 1.00 H +ATOM 925 HG13 ILE A 60 2.080 5.356 -14.055 1.00 1.00 H +ATOM 926 HG21 ILE A 60 3.833 8.095 -15.263 1.00 1.00 H +ATOM 927 HG22 ILE A 60 4.269 6.777 -14.149 1.00 1.00 H +ATOM 928 HG23 ILE A 60 5.062 6.899 -15.737 1.00 1.00 H +ATOM 929 HD11 ILE A 60 1.428 8.124 -15.128 1.00 1.00 H +ATOM 930 HD12 ILE A 60 0.375 7.309 -13.947 1.00 1.00 H +ATOM 931 HD13 ILE A 60 2.064 7.682 -13.526 1.00 1.00 H +ATOM 932 N ASN A 61 4.422 6.071 -18.643 1.00 1.00 N +ATOM 933 CA ASN A 61 5.558 6.291 -19.523 1.00 1.00 C +ATOM 934 C ASN A 61 6.760 6.748 -18.692 1.00 1.00 C +ATOM 935 O ASN A 61 6.676 7.737 -17.966 1.00 1.00 O +ATOM 936 CB ASN A 61 5.254 7.381 -20.553 1.00 1.00 C +ATOM 937 CG ASN A 61 6.393 7.513 -21.565 1.00 1.00 C +ATOM 938 OD1 ASN A 61 7.500 7.042 -21.357 1.00 1.00 O +ATOM 939 ND2 ASN A 61 6.063 8.177 -22.669 1.00 1.00 N +ATOM 940 H ASN A 61 4.172 5.111 -18.510 1.00 1.00 H +ATOM 941 HA ASN A 61 5.731 5.333 -20.014 1.00 1.00 H +ATOM 942 HB2 ASN A 61 4.325 7.145 -21.073 1.00 1.00 H +ATOM 943 HB3 ASN A 61 5.102 8.334 -20.045 1.00 1.00 H +ATOM 944 HD21 ASN A 61 5.136 8.537 -22.777 1.00 1.00 H +ATOM 945 HD22 ASN A 61 6.740 8.315 -23.391 1.00 1.00 H +ATOM 946 N THR A 62 7.848 6.006 -18.827 1.00 1.00 N +ATOM 947 CA THR A 62 9.065 6.322 -18.098 1.00 1.00 C +ATOM 948 C THR A 62 10.137 6.848 -19.054 1.00 1.00 C +ATOM 949 O THR A 62 10.081 6.596 -20.256 1.00 1.00 O +ATOM 950 CB THR A 62 9.495 5.070 -17.331 1.00 1.00 C +ATOM 951 OG1 THR A 62 8.275 4.532 -16.830 1.00 1.00 O +ATOM 952 CG2 THR A 62 10.300 5.402 -16.073 1.00 1.00 C +ATOM 953 H THR A 62 7.907 5.202 -19.420 1.00 1.00 H +ATOM 954 HA THR A 62 8.844 7.123 -17.393 1.00 1.00 H +ATOM 955 HB THR A 62 10.048 4.388 -17.977 1.00 1.00 H +ATOM 956 HG1 THR A 62 7.801 5.217 -16.277 1.00 1.00 H +ATOM 957 HG21 THR A 62 10.664 6.428 -16.134 1.00 1.00 H +ATOM 958 HG22 THR A 62 9.662 5.295 -15.195 1.00 1.00 H +ATOM 959 HG23 THR A 62 11.147 4.720 -15.992 1.00 1.00 H +ATOM 960 N ALA A 63 11.090 7.570 -18.482 1.00 1.00 N +ATOM 961 CA ALA A 63 12.174 8.135 -19.268 1.00 1.00 C +ATOM 962 C ALA A 63 13.329 7.132 -19.330 1.00 1.00 C +ATOM 963 O ALA A 63 13.177 5.980 -18.926 1.00 1.00 O +ATOM 964 CB ALA A 63 12.598 9.474 -18.664 1.00 1.00 C +ATOM 965 H ALA A 63 11.129 7.771 -17.504 1.00 1.00 H +ATOM 966 HA ALA A 63 11.799 8.306 -20.276 1.00 1.00 H +ATOM 967 HB1 ALA A 63 11.750 9.927 -18.151 1.00 1.00 H +ATOM 968 HB2 ALA A 63 13.409 9.313 -17.954 1.00 1.00 H +ATOM 969 HB3 ALA A 63 12.940 10.139 -19.459 1.00 1.00 H +ATOM 970 N SER A 64 14.455 7.606 -19.842 1.00 1.00 N +ATOM 971 CA SER A 64 15.634 6.765 -19.963 1.00 1.00 C +ATOM 972 C SER A 64 16.500 6.894 -18.707 1.00 1.00 C +ATOM 973 O SER A 64 17.725 6.833 -18.785 1.00 1.00 O +ATOM 974 CB SER A 64 16.446 7.132 -21.207 1.00 1.00 C +ATOM 975 OG SER A 64 16.642 8.538 -21.321 1.00 1.00 O +ATOM 976 H SER A 64 14.569 8.544 -20.169 1.00 1.00 H +ATOM 977 HA SER A 64 15.255 5.749 -20.064 1.00 1.00 H +ATOM 978 HB2 SER A 64 17.414 6.632 -21.168 1.00 1.00 H +ATOM 979 HB3 SER A 64 15.934 6.764 -22.095 1.00 1.00 H +ATOM 980 HG SER A 64 16.593 8.965 -20.418 1.00 1.00 H +ATOM 981 N ASP A 65 15.827 7.070 -17.579 1.00 1.00 N +ATOM 982 CA ASP A 65 16.519 7.207 -16.309 1.00 1.00 C +ATOM 983 C ASP A 65 15.633 6.659 -15.189 1.00 1.00 C +ATOM 984 O ASP A 65 16.053 5.787 -14.431 1.00 1.00 O +ATOM 985 CB ASP A 65 16.818 8.675 -16.001 1.00 1.00 C +ATOM 986 CG ASP A 65 17.076 8.986 -14.525 1.00 1.00 C +ATOM 987 OD1 ASP A 65 18.159 8.590 -14.042 1.00 1.00 O +ATOM 988 OD2 ASP A 65 16.184 9.614 -13.914 1.00 1.00 O +ATOM 989 H ASP A 65 14.829 7.118 -17.525 1.00 1.00 H +ATOM 990 HA ASP A 65 17.443 6.641 -16.424 1.00 1.00 H +ATOM 991 HB2 ASP A 65 17.689 8.983 -16.579 1.00 1.00 H +ATOM 992 HB3 ASP A 65 15.979 9.281 -16.343 1.00 1.00 H +ATOM 993 N GLY A 66 14.422 7.193 -15.120 1.00 1.00 N +ATOM 994 CA GLY A 66 13.473 6.769 -14.105 1.00 1.00 C +ATOM 995 C GLY A 66 12.241 7.675 -14.095 1.00 1.00 C +ATOM 996 O GLY A 66 11.117 7.198 -13.936 1.00 1.00 O +ATOM 997 H GLY A 66 14.088 7.903 -15.741 1.00 1.00 H +ATOM 998 HA2 GLY A 66 13.171 5.739 -14.293 1.00 1.00 H +ATOM 999 HA3 GLY A 66 13.951 6.788 -13.125 1.00 1.00 H +ATOM 1000 N LYS A 67 12.491 8.964 -14.266 1.00 1.00 N +ATOM 1001 CA LYS A 67 11.415 9.941 -14.279 1.00 1.00 C +ATOM 1002 C LYS A 67 10.252 9.402 -15.116 1.00 1.00 C +ATOM 1003 O LYS A 67 10.458 8.602 -16.028 1.00 1.00 O +ATOM 1004 CB LYS A 67 11.932 11.302 -14.748 1.00 1.00 C +ATOM 1005 CG LYS A 67 12.988 11.139 -15.844 1.00 1.00 C +ATOM 1006 CD LYS A 67 14.362 11.600 -15.355 1.00 1.00 C +ATOM 1007 CE LYS A 67 14.862 12.794 -16.170 1.00 1.00 C +ATOM 1008 NZ LYS A 67 15.516 12.334 -17.416 1.00 1.00 N +ATOM 1009 H LYS A 67 13.408 9.344 -14.394 1.00 1.00 H +ATOM 1010 HA LYS A 67 11.073 10.064 -13.251 1.00 1.00 H +ATOM 1011 HB2 LYS A 67 11.102 11.901 -15.124 1.00 1.00 H +ATOM 1012 HB3 LYS A 67 12.359 11.844 -13.905 1.00 1.00 H +ATOM 1013 HG2 LYS A 67 13.039 10.095 -16.152 1.00 1.00 H +ATOM 1014 HG3 LYS A 67 12.698 11.716 -16.723 1.00 1.00 H +ATOM 1015 HD2 LYS A 67 14.304 11.873 -14.301 1.00 1.00 H +ATOM 1016 HD3 LYS A 67 15.074 10.779 -15.432 1.00 1.00 H +ATOM 1017 HE2 LYS A 67 14.027 13.453 -16.411 1.00 1.00 H +ATOM 1018 HE3 LYS A 67 15.567 13.378 -15.577 1.00 1.00 H +ATOM 1019 HZ1 LYS A 67 15.207 11.408 -17.632 1.00 1.00 H +ATOM 1020 HZ2 LYS A 67 15.272 12.949 -18.166 1.00 1.00 H +ATOM 1021 HZ3 LYS A 67 16.508 12.335 -17.292 1.00 1.00 H +ATOM 1022 N LEU A 68 9.058 9.862 -14.775 1.00 1.00 N +ATOM 1023 CA LEU A 68 7.862 9.436 -15.483 1.00 1.00 C +ATOM 1024 C LEU A 68 7.406 10.554 -16.423 1.00 1.00 C +ATOM 1025 O LEU A 68 6.817 11.539 -15.981 1.00 1.00 O +ATOM 1026 CB LEU A 68 6.785 8.986 -14.494 1.00 1.00 C +ATOM 1027 CG LEU A 68 7.242 8.019 -13.400 1.00 1.00 C +ATOM 1028 CD1 LEU A 68 6.335 8.115 -12.171 1.00 1.00 C +ATOM 1029 CD2 LEU A 68 7.334 6.589 -13.934 1.00 1.00 C +ATOM 1030 H LEU A 68 8.899 10.512 -14.031 1.00 1.00 H +ATOM 1031 HA LEU A 68 8.131 8.567 -16.084 1.00 1.00 H +ATOM 1032 HB2 LEU A 68 6.365 9.871 -14.018 1.00 1.00 H +ATOM 1033 HB3 LEU A 68 5.980 8.513 -15.055 1.00 1.00 H +ATOM 1034 HG LEU A 68 8.244 8.310 -13.083 1.00 1.00 H +ATOM 1035 HD11 LEU A 68 5.903 9.115 -12.115 1.00 1.00 H +ATOM 1036 HD12 LEU A 68 5.535 7.378 -12.251 1.00 1.00 H +ATOM 1037 HD13 LEU A 68 6.919 7.920 -11.272 1.00 1.00 H +ATOM 1038 HD21 LEU A 68 6.877 6.541 -14.923 1.00 1.00 H +ATOM 1039 HD22 LEU A 68 8.380 6.292 -14.003 1.00 1.00 H +ATOM 1040 HD23 LEU A 68 6.808 5.915 -13.258 1.00 1.00 H +ATOM 1041 N TYR A 69 7.696 10.364 -17.701 1.00 1.00 N +ATOM 1042 CA TYR A 69 7.324 11.344 -18.707 1.00 1.00 C +ATOM 1043 C TYR A 69 6.294 10.766 -19.681 1.00 1.00 C +ATOM 1044 O TYR A 69 6.551 9.756 -20.335 1.00 1.00 O +ATOM 1045 CB TYR A 69 8.606 11.671 -19.474 1.00 1.00 C +ATOM 1046 CG TYR A 69 8.828 10.802 -20.714 1.00 1.00 C +ATOM 1047 CD1 TYR A 69 8.048 10.992 -21.837 1.00 1.00 C +ATOM 1048 CD2 TYR A 69 9.807 9.829 -20.709 1.00 1.00 C +ATOM 1049 CE1 TYR A 69 8.257 10.174 -23.005 1.00 1.00 C +ATOM 1050 CE2 TYR A 69 10.015 9.012 -21.877 1.00 1.00 C +ATOM 1051 CZ TYR A 69 9.230 9.225 -22.967 1.00 1.00 C +ATOM 1052 OH TYR A 69 9.427 8.453 -24.069 1.00 1.00 O +ATOM 1053 H TYR A 69 8.176 9.560 -18.053 1.00 1.00 H +ATOM 1054 HA TYR A 69 6.887 12.201 -18.196 1.00 1.00 H +ATOM 1055 HB2 TYR A 69 8.580 12.718 -19.777 1.00 1.00 H +ATOM 1056 HB3 TYR A 69 9.457 11.553 -18.805 1.00 1.00 H +ATOM 1057 HD1 TYR A 69 7.276 11.760 -21.841 1.00 1.00 H +ATOM 1058 HD2 TYR A 69 10.421 9.679 -19.823 1.00 1.00 H +ATOM 1059 HE1 TYR A 69 7.649 10.314 -23.899 1.00 1.00 H +ATOM 1060 HE2 TYR A 69 10.784 8.239 -21.887 1.00 1.00 H +ATOM 1061 HH TYR A 69 8.930 7.590 -23.975 1.00 1.00 H +ATOM 1062 N VAL A 70 5.150 11.431 -19.746 1.00 1.00 N +ATOM 1063 CA VAL A 70 4.081 10.997 -20.629 1.00 1.00 C +ATOM 1064 C VAL A 70 4.419 11.397 -22.067 1.00 1.00 C +ATOM 1065 O VAL A 70 4.293 10.588 -22.985 1.00 1.00 O +ATOM 1066 CB VAL A 70 2.743 11.563 -20.149 1.00 1.00 C +ATOM 1067 CG1 VAL A 70 1.630 11.268 -21.156 1.00 1.00 C +ATOM 1068 CG2 VAL A 70 2.385 11.025 -18.762 1.00 1.00 C +ATOM 1069 H VAL A 70 4.949 12.252 -19.211 1.00 1.00 H +ATOM 1070 HA VAL A 70 4.028 9.910 -20.570 1.00 1.00 H +ATOM 1071 HB VAL A 70 2.847 12.646 -20.071 1.00 1.00 H +ATOM 1072 HG11 VAL A 70 1.668 10.217 -21.442 1.00 1.00 H +ATOM 1073 HG12 VAL A 70 0.663 11.487 -20.703 1.00 1.00 H +ATOM 1074 HG13 VAL A 70 1.766 11.891 -22.041 1.00 1.00 H +ATOM 1075 HG21 VAL A 70 2.831 10.038 -18.630 1.00 1.00 H +ATOM 1076 HG22 VAL A 70 2.769 11.702 -17.999 1.00 1.00 H +ATOM 1077 HG23 VAL A 70 1.302 10.950 -18.670 1.00 1.00 H +ATOM 1078 N SER A 71 4.840 12.644 -22.217 1.00 1.00 N +ATOM 1079 CA SER A 71 5.196 13.160 -23.528 1.00 1.00 C +ATOM 1080 C SER A 71 6.702 13.011 -23.757 1.00 1.00 C +ATOM 1081 O SER A 71 7.128 12.217 -24.595 1.00 1.00 O +ATOM 1082 CB SER A 71 4.781 14.626 -23.673 1.00 1.00 C +ATOM 1083 OG SER A 71 5.261 15.199 -24.886 1.00 1.00 O +ATOM 1084 H SER A 71 4.939 13.295 -21.465 1.00 1.00 H +ATOM 1085 HA SER A 71 4.637 12.553 -24.239 1.00 1.00 H +ATOM 1086 HB2 SER A 71 3.694 14.699 -23.643 1.00 1.00 H +ATOM 1087 HB3 SER A 71 5.161 15.197 -22.826 1.00 1.00 H +ATOM 1088 HG SER A 71 5.114 16.188 -24.879 1.00 1.00 H +ATOM 1089 N SER A 72 7.464 13.785 -23.000 1.00 1.00 N +ATOM 1090 CA SER A 72 8.912 13.747 -23.111 1.00 1.00 C +ATOM 1091 C SER A 72 9.506 15.082 -22.657 1.00 1.00 C +ATOM 1092 O SER A 72 10.648 15.135 -22.202 1.00 1.00 O +ATOM 1093 CB SER A 72 9.347 13.433 -24.544 1.00 1.00 C +ATOM 1094 OG SER A 72 9.635 12.049 -24.723 1.00 1.00 O +ATOM 1095 H SER A 72 7.108 14.427 -22.320 1.00 1.00 H +ATOM 1096 HA SER A 72 9.232 12.942 -22.450 1.00 1.00 H +ATOM 1097 HB2 SER A 72 8.559 13.731 -25.235 1.00 1.00 H +ATOM 1098 HB3 SER A 72 10.229 14.022 -24.792 1.00 1.00 H +ATOM 1099 HG SER A 72 10.622 11.896 -24.674 1.00 1.00 H +ATOM 1100 N GLU A 73 8.705 16.128 -22.796 1.00 1.00 N +ATOM 1101 CA GLU A 73 9.137 17.459 -22.406 1.00 1.00 C +ATOM 1102 C GLU A 73 8.636 17.788 -20.998 1.00 1.00 C +ATOM 1103 O GLU A 73 8.965 18.839 -20.448 1.00 1.00 O +ATOM 1104 CB GLU A 73 8.663 18.507 -23.415 1.00 1.00 C +ATOM 1105 CG GLU A 73 7.487 17.982 -24.240 1.00 1.00 C +ATOM 1106 CD GLU A 73 6.938 19.068 -25.168 1.00 1.00 C +ATOM 1107 OE1 GLU A 73 7.774 19.808 -25.731 1.00 1.00 O +ATOM 1108 OE2 GLU A 73 5.697 19.134 -25.292 1.00 1.00 O +ATOM 1109 H GLU A 73 7.777 16.077 -23.167 1.00 1.00 H +ATOM 1110 HA GLU A 73 10.226 17.424 -22.413 1.00 1.00 H +ATOM 1111 HB2 GLU A 73 8.367 19.415 -22.890 1.00 1.00 H +ATOM 1112 HB3 GLU A 73 9.485 18.777 -24.078 1.00 1.00 H +ATOM 1113 HG2 GLU A 73 7.806 17.123 -24.830 1.00 1.00 H +ATOM 1114 HG3 GLU A 73 6.697 17.634 -23.574 1.00 1.00 H +ATOM 1115 N SER A 74 7.850 16.871 -20.454 1.00 1.00 N +ATOM 1116 CA SER A 74 7.302 17.051 -19.121 1.00 1.00 C +ATOM 1117 C SER A 74 7.530 15.789 -18.287 1.00 1.00 C +ATOM 1118 O SER A 74 6.579 15.092 -17.936 1.00 1.00 O +ATOM 1119 CB SER A 74 5.810 17.385 -19.179 1.00 1.00 C +ATOM 1120 OG SER A 74 5.508 18.600 -18.499 1.00 1.00 O +ATOM 1121 H SER A 74 7.588 16.019 -20.908 1.00 1.00 H +ATOM 1122 HA SER A 74 7.846 17.894 -18.696 1.00 1.00 H +ATOM 1123 HB2 SER A 74 5.497 17.465 -20.221 1.00 1.00 H +ATOM 1124 HB3 SER A 74 5.238 16.570 -18.737 1.00 1.00 H +ATOM 1125 HG SER A 74 6.026 18.653 -17.646 1.00 1.00 H +ATOM 1126 N ARG A 75 8.797 15.533 -17.993 1.00 1.00 N +ATOM 1127 CA ARG A 75 9.162 14.368 -17.206 1.00 1.00 C +ATOM 1128 C ARG A 75 8.964 14.650 -15.716 1.00 1.00 C +ATOM 1129 O ARG A 75 9.178 15.771 -15.258 1.00 1.00 O +ATOM 1130 CB ARG A 75 10.619 13.970 -17.454 1.00 1.00 C +ATOM 1131 CG ARG A 75 11.188 14.703 -18.670 1.00 1.00 C +ATOM 1132 CD ARG A 75 12.363 13.933 -19.275 1.00 1.00 C +ATOM 1133 NE ARG A 75 13.096 14.794 -20.229 1.00 1.00 N +ATOM 1134 CZ ARG A 75 14.216 14.426 -20.866 1.00 1.00 C +ATOM 1135 NH1 ARG A 75 14.738 13.210 -20.655 1.00 1.00 N +ATOM 1136 NH2 ARG A 75 14.814 15.273 -21.715 1.00 1.00 N +ATOM 1137 H ARG A 75 9.564 16.105 -18.282 1.00 1.00 H +ATOM 1138 HA ARG A 75 8.492 13.579 -17.549 1.00 1.00 H +ATOM 1139 HB2 ARG A 75 11.218 14.203 -16.573 1.00 1.00 H +ATOM 1140 HB3 ARG A 75 10.685 12.894 -17.610 1.00 1.00 H +ATOM 1141 HG2 ARG A 75 10.407 14.831 -19.421 1.00 1.00 H +ATOM 1142 HG3 ARG A 75 11.515 15.702 -18.379 1.00 1.00 H +ATOM 1143 HD2 ARG A 75 13.035 13.599 -18.484 1.00 1.00 H +ATOM 1144 HD3 ARG A 75 12.000 13.040 -19.784 1.00 1.00 H +ATOM 1145 HE ARG A 75 12.734 15.709 -20.409 1.00 1.00 H +ATOM 1146 HH11 ARG A 75 14.291 12.577 -20.023 1.00 1.00 H +ATOM 1147 HH12 ARG A 75 15.573 12.935 -21.131 1.00 1.00 H +ATOM 1148 HH21 ARG A 75 14.425 16.181 -21.872 1.00 1.00 H +ATOM 1149 HH22 ARG A 75 15.650 14.999 -22.190 1.00 1.00 H +ATOM 1150 N PHE A 76 8.557 13.612 -14.998 1.00 1.00 N +ATOM 1151 CA PHE A 76 8.328 13.734 -13.570 1.00 1.00 C +ATOM 1152 C PHE A 76 8.907 12.535 -12.817 1.00 1.00 C +ATOM 1153 O PHE A 76 9.703 11.777 -13.369 1.00 1.00 O +ATOM 1154 CB PHE A 76 6.812 13.769 -13.361 1.00 1.00 C +ATOM 1155 CG PHE A 76 6.088 14.801 -14.228 1.00 1.00 C +ATOM 1156 CD1 PHE A 76 6.123 16.118 -13.889 1.00 1.00 C +ATOM 1157 CD2 PHE A 76 5.411 14.402 -15.337 1.00 1.00 C +ATOM 1158 CE1 PHE A 76 5.451 17.076 -14.692 1.00 1.00 C +ATOM 1159 CE2 PHE A 76 4.739 15.360 -16.141 1.00 1.00 C +ATOM 1160 CZ PHE A 76 4.772 16.677 -15.802 1.00 1.00 C +ATOM 1161 H PHE A 76 8.385 12.703 -15.378 1.00 1.00 H +ATOM 1162 HA PHE A 76 8.827 14.644 -13.238 1.00 1.00 H +ATOM 1163 HB2 PHE A 76 6.404 12.780 -13.574 1.00 1.00 H +ATOM 1164 HB3 PHE A 76 6.605 13.980 -12.312 1.00 1.00 H +ATOM 1165 HD1 PHE A 76 6.665 16.437 -12.999 1.00 1.00 H +ATOM 1166 HD2 PHE A 76 5.383 13.347 -15.609 1.00 1.00 H +ATOM 1167 HE1 PHE A 76 5.478 18.131 -14.420 1.00 1.00 H +ATOM 1168 HE2 PHE A 76 4.195 15.041 -17.031 1.00 1.00 H +ATOM 1169 HZ PHE A 76 4.257 17.412 -16.419 1.00 1.00 H +ATOM 1170 N ASN A 77 8.484 12.400 -11.568 1.00 1.00 N +ATOM 1171 CA ASN A 77 8.951 11.306 -10.734 1.00 1.00 C +ATOM 1172 C ASN A 77 7.760 10.686 -9.999 1.00 1.00 C +ATOM 1173 O ASN A 77 7.654 9.465 -9.902 1.00 1.00 O +ATOM 1174 CB ASN A 77 9.949 11.800 -9.685 1.00 1.00 C +ATOM 1175 CG ASN A 77 11.386 11.684 -10.197 1.00 1.00 C +ATOM 1176 OD1 ASN A 77 12.072 12.667 -10.426 1.00 1.00 O +ATOM 1177 ND2 ASN A 77 11.802 10.431 -10.364 1.00 1.00 N +ATOM 1178 H ASN A 77 7.837 13.021 -11.127 1.00 1.00 H +ATOM 1179 HA ASN A 77 9.427 10.606 -11.420 1.00 1.00 H +ATOM 1180 HB2 ASN A 77 9.732 12.837 -9.431 1.00 1.00 H +ATOM 1181 HB3 ASN A 77 9.838 11.218 -8.769 1.00 1.00 H +ATOM 1182 HD21 ASN A 77 11.188 9.670 -10.157 1.00 1.00 H +ATOM 1183 HD22 ASN A 77 12.728 10.252 -10.696 1.00 1.00 H +ATOM 1184 N THR A 78 6.896 11.557 -9.500 1.00 1.00 N +ATOM 1185 CA THR A 78 5.717 11.111 -8.777 1.00 1.00 C +ATOM 1186 C THR A 78 4.454 11.384 -9.596 1.00 1.00 C +ATOM 1187 O THR A 78 4.356 12.409 -10.269 1.00 1.00 O +ATOM 1188 CB THR A 78 5.714 11.796 -7.409 1.00 1.00 C +ATOM 1189 OG1 THR A 78 5.089 10.848 -6.548 1.00 1.00 O +ATOM 1190 CG2 THR A 78 4.784 13.010 -7.363 1.00 1.00 C +ATOM 1191 H THR A 78 6.990 12.549 -9.584 1.00 1.00 H +ATOM 1192 HA THR A 78 5.784 10.031 -8.643 1.00 1.00 H +ATOM 1193 HB THR A 78 6.726 12.069 -7.109 1.00 1.00 H +ATOM 1194 HG1 THR A 78 5.441 10.949 -5.617 1.00 1.00 H +ATOM 1195 HG21 THR A 78 3.833 12.757 -7.831 1.00 1.00 H +ATOM 1196 HG22 THR A 78 4.615 13.300 -6.326 1.00 1.00 H +ATOM 1197 HG23 THR A 78 5.244 13.839 -7.902 1.00 1.00 H +ATOM 1198 N LEU A 79 3.518 10.450 -9.511 1.00 1.00 N +ATOM 1199 CA LEU A 79 2.266 10.577 -10.235 1.00 1.00 C +ATOM 1200 C LEU A 79 1.726 11.999 -10.066 1.00 1.00 C +ATOM 1201 O LEU A 79 1.387 12.660 -11.047 1.00 1.00 O +ATOM 1202 CB LEU A 79 1.281 9.490 -9.800 1.00 1.00 C +ATOM 1203 CG LEU A 79 0.046 9.310 -10.684 1.00 1.00 C +ATOM 1204 CD1 LEU A 79 -0.733 10.620 -10.812 1.00 1.00 C +ATOM 1205 CD2 LEU A 79 0.427 8.734 -12.049 1.00 1.00 C +ATOM 1206 H LEU A 79 3.606 9.619 -8.961 1.00 1.00 H +ATOM 1207 HA LEU A 79 2.481 10.413 -11.292 1.00 1.00 H +ATOM 1208 HB2 LEU A 79 1.815 8.540 -9.758 1.00 1.00 H +ATOM 1209 HB3 LEU A 79 0.949 9.713 -8.786 1.00 1.00 H +ATOM 1210 HG LEU A 79 -0.616 8.588 -10.204 1.00 1.00 H +ATOM 1211 HD11 LEU A 79 -0.526 11.251 -9.948 1.00 1.00 H +ATOM 1212 HD12 LEU A 79 -0.426 11.138 -11.721 1.00 1.00 H +ATOM 1213 HD13 LEU A 79 -1.801 10.406 -10.858 1.00 1.00 H +ATOM 1214 HD21 LEU A 79 1.164 9.383 -12.524 1.00 1.00 H +ATOM 1215 HD22 LEU A 79 0.852 7.739 -11.918 1.00 1.00 H +ATOM 1216 HD23 LEU A 79 -0.460 8.671 -12.679 1.00 1.00 H +ATOM 1217 N ALA A 80 1.661 12.428 -8.814 1.00 1.00 N +ATOM 1218 CA ALA A 80 1.169 13.759 -8.504 1.00 1.00 C +ATOM 1219 C ALA A 80 1.757 14.761 -9.498 1.00 1.00 C +ATOM 1220 O ALA A 80 1.031 15.342 -10.302 1.00 1.00 O +ATOM 1221 CB ALA A 80 1.512 14.105 -7.054 1.00 1.00 C +ATOM 1222 H ALA A 80 1.938 11.884 -8.022 1.00 1.00 H +ATOM 1223 HA ALA A 80 0.084 13.745 -8.614 1.00 1.00 H +ATOM 1224 HB1 ALA A 80 2.402 13.555 -6.750 1.00 1.00 H +ATOM 1225 HB2 ALA A 80 1.701 15.175 -6.971 1.00 1.00 H +ATOM 1226 HB3 ALA A 80 0.678 13.833 -6.408 1.00 1.00 H +ATOM 1227 N GLU A 81 3.068 14.933 -9.411 1.00 1.00 N +ATOM 1228 CA GLU A 81 3.764 15.855 -10.293 1.00 1.00 C +ATOM 1229 C GLU A 81 3.254 15.702 -11.727 1.00 1.00 C +ATOM 1230 O GLU A 81 3.303 16.650 -12.511 1.00 1.00 O +ATOM 1231 CB GLU A 81 5.277 15.645 -10.223 1.00 1.00 C +ATOM 1232 CG GLU A 81 5.958 16.800 -9.486 1.00 1.00 C +ATOM 1233 CD GLU A 81 6.219 16.439 -8.023 1.00 1.00 C +ATOM 1234 OE1 GLU A 81 6.822 15.367 -7.801 1.00 1.00 O +ATOM 1235 OE2 GLU A 81 5.809 17.245 -7.159 1.00 1.00 O +ATOM 1236 H GLU A 81 3.652 14.456 -8.753 1.00 1.00 H +ATOM 1237 HA GLU A 81 3.523 16.850 -9.918 1.00 1.00 H +ATOM 1238 HB2 GLU A 81 5.494 14.705 -9.714 1.00 1.00 H +ATOM 1239 HB3 GLU A 81 5.683 15.561 -11.231 1.00 1.00 H +ATOM 1240 HG2 GLU A 81 6.900 17.044 -9.978 1.00 1.00 H +ATOM 1241 HG3 GLU A 81 5.330 17.689 -9.540 1.00 1.00 H +ATOM 1242 N LEU A 82 2.776 14.504 -12.027 1.00 1.00 N +ATOM 1243 CA LEU A 82 2.258 14.216 -13.354 1.00 1.00 C +ATOM 1244 C LEU A 82 0.938 14.963 -13.554 1.00 1.00 C +ATOM 1245 O LEU A 82 0.770 15.683 -14.537 1.00 1.00 O +ATOM 1246 CB LEU A 82 2.149 12.705 -13.571 1.00 1.00 C +ATOM 1247 CG LEU A 82 2.446 12.207 -14.986 1.00 1.00 C +ATOM 1248 CD1 LEU A 82 3.747 11.402 -15.022 1.00 1.00 C +ATOM 1249 CD2 LEU A 82 1.265 11.414 -15.547 1.00 1.00 C +ATOM 1250 H LEU A 82 2.739 13.739 -11.384 1.00 1.00 H +ATOM 1251 HA LEU A 82 2.981 14.594 -14.077 1.00 1.00 H +ATOM 1252 HB2 LEU A 82 2.833 12.209 -12.881 1.00 1.00 H +ATOM 1253 HB3 LEU A 82 1.141 12.391 -13.300 1.00 1.00 H +ATOM 1254 HG LEU A 82 2.588 13.074 -15.631 1.00 1.00 H +ATOM 1255 HD11 LEU A 82 4.333 11.619 -14.129 1.00 1.00 H +ATOM 1256 HD12 LEU A 82 3.515 10.337 -15.054 1.00 1.00 H +ATOM 1257 HD13 LEU A 82 4.319 11.675 -15.908 1.00 1.00 H +ATOM 1258 HD21 LEU A 82 0.335 11.922 -15.297 1.00 1.00 H +ATOM 1259 HD22 LEU A 82 1.360 11.339 -16.631 1.00 1.00 H +ATOM 1260 HD23 LEU A 82 1.261 10.413 -15.114 1.00 1.00 H +ATOM 1261 N VAL A 83 0.032 14.764 -12.607 1.00 1.00 N +ATOM 1262 CA VAL A 83 -1.268 15.409 -12.668 1.00 1.00 C +ATOM 1263 C VAL A 83 -1.090 16.920 -12.509 1.00 1.00 C +ATOM 1264 O VAL A 83 -1.732 17.701 -13.210 1.00 1.00 O +ATOM 1265 CB VAL A 83 -2.202 14.804 -11.617 1.00 1.00 C +ATOM 1266 CG1 VAL A 83 -3.561 15.505 -11.623 1.00 1.00 C +ATOM 1267 CG2 VAL A 83 -2.362 13.296 -11.829 1.00 1.00 C +ATOM 1268 H VAL A 83 0.177 14.176 -11.811 1.00 1.00 H +ATOM 1269 HA VAL A 83 -1.690 15.207 -13.651 1.00 1.00 H +ATOM 1270 HB VAL A 83 -1.749 14.958 -10.637 1.00 1.00 H +ATOM 1271 HG11 VAL A 83 -3.847 15.735 -12.650 1.00 1.00 H +ATOM 1272 HG12 VAL A 83 -4.309 14.851 -11.176 1.00 1.00 H +ATOM 1273 HG13 VAL A 83 -3.496 16.429 -11.049 1.00 1.00 H +ATOM 1274 HG21 VAL A 83 -2.128 13.049 -12.865 1.00 1.00 H +ATOM 1275 HG22 VAL A 83 -1.680 12.762 -11.167 1.00 1.00 H +ATOM 1276 HG23 VAL A 83 -3.388 13.005 -11.608 1.00 1.00 H +ATOM 1277 N HIS A 84 -0.216 17.287 -11.583 1.00 1.00 N +ATOM 1278 CA HIS A 84 0.054 18.691 -11.323 1.00 1.00 C +ATOM 1279 C HIS A 84 0.209 19.438 -12.649 1.00 1.00 C +ATOM 1280 O HIS A 84 -0.499 20.411 -12.905 1.00 1.00 O +ATOM 1281 CB HIS A 84 1.269 18.851 -10.407 1.00 1.00 C +ATOM 1282 CG HIS A 84 0.972 19.567 -9.111 1.00 1.00 C +ATOM 1283 ND1 HIS A 84 1.935 19.798 -8.145 1.00 1.00 N +ATOM 1284 CD2 HIS A 84 -0.189 20.102 -8.634 1.00 1.00 C +ATOM 1285 CE1 HIS A 84 1.368 20.442 -7.136 1.00 1.00 C +ATOM 1286 NE2 HIS A 84 0.052 20.628 -7.440 1.00 1.00 N +ATOM 1287 H HIS A 84 0.302 16.646 -11.017 1.00 1.00 H +ATOM 1288 HA HIS A 84 -0.815 19.084 -10.795 1.00 1.00 H +ATOM 1289 HB2 HIS A 84 1.672 17.864 -10.181 1.00 1.00 H +ATOM 1290 HB3 HIS A 84 2.046 19.397 -10.943 1.00 1.00 H +ATOM 1291 HD1 HIS A 84 2.895 19.525 -8.199 1.00 1.00 H +ATOM 1292 HD2 HIS A 84 -1.150 20.096 -9.148 1.00 1.00 H +ATOM 1293 HE1 HIS A 84 1.866 20.766 -6.222 1.00 1.00 H +ATOM 1294 N HIS A 85 1.141 18.954 -13.459 1.00 1.00 N +ATOM 1295 CA HIS A 85 1.398 19.563 -14.752 1.00 1.00 C +ATOM 1296 C HIS A 85 0.232 19.271 -15.699 1.00 1.00 C +ATOM 1297 O HIS A 85 -0.223 20.156 -16.421 1.00 1.00 O +ATOM 1298 CB HIS A 85 2.746 19.103 -15.312 1.00 1.00 C +ATOM 1299 CG HIS A 85 2.969 19.471 -16.759 1.00 1.00 C +ATOM 1300 ND1 HIS A 85 3.143 20.777 -17.182 1.00 1.00 N +ATOM 1301 CD2 HIS A 85 3.044 18.691 -17.875 1.00 1.00 C +ATOM 1302 CE1 HIS A 85 3.315 20.772 -18.495 1.00 1.00 C +ATOM 1303 NE2 HIS A 85 3.252 19.478 -18.923 1.00 1.00 N +ATOM 1304 H HIS A 85 1.712 18.163 -13.244 1.00 1.00 H +ATOM 1305 HA HIS A 85 1.458 20.639 -14.585 1.00 1.00 H +ATOM 1306 HB2 HIS A 85 3.544 19.538 -14.709 1.00 1.00 H +ATOM 1307 HB3 HIS A 85 2.821 18.021 -15.206 1.00 1.00 H +ATOM 1308 HD1 HIS A 85 3.141 21.587 -16.595 1.00 1.00 H +ATOM 1309 HD2 HIS A 85 2.949 17.606 -17.902 1.00 1.00 H +ATOM 1310 HE1 HIS A 85 3.477 21.648 -19.125 1.00 1.00 H +ATOM 1311 N HIS A 86 -0.217 18.025 -15.664 1.00 1.00 N +ATOM 1312 CA HIS A 86 -1.320 17.603 -16.510 1.00 1.00 C +ATOM 1313 C HIS A 86 -2.632 18.166 -15.960 1.00 1.00 C +ATOM 1314 O HIS A 86 -3.713 17.759 -16.384 1.00 1.00 O +ATOM 1315 CB HIS A 86 -1.344 16.080 -16.654 1.00 1.00 C +ATOM 1316 CG HIS A 86 -0.139 15.511 -17.364 1.00 1.00 C +ATOM 1317 ND1 HIS A 86 0.547 16.202 -18.348 1.00 1.00 N +ATOM 1318 CD2 HIS A 86 0.497 14.313 -17.222 1.00 1.00 C +ATOM 1319 CE1 HIS A 86 1.547 15.445 -18.772 1.00 1.00 C +ATOM 1320 NE2 HIS A 86 1.514 14.273 -18.073 1.00 1.00 N +ATOM 1321 H HIS A 86 0.160 17.311 -15.073 1.00 1.00 H +ATOM 1322 HA HIS A 86 -1.138 18.027 -17.497 1.00 1.00 H +ATOM 1323 HB2 HIS A 86 -1.414 15.632 -15.663 1.00 1.00 H +ATOM 1324 HB3 HIS A 86 -2.243 15.791 -17.198 1.00 1.00 H +ATOM 1325 HD1 HIS A 86 0.325 17.119 -18.681 1.00 1.00 H +ATOM 1326 HD2 HIS A 86 0.216 13.522 -16.526 1.00 1.00 H +ATOM 1327 HE1 HIS A 86 2.270 15.710 -19.544 1.00 1.00 H +ATOM 1328 N SER A 87 -2.495 19.095 -15.025 1.00 1.00 N +ATOM 1329 CA SER A 87 -3.655 19.719 -14.413 1.00 1.00 C +ATOM 1330 C SER A 87 -4.047 20.976 -15.194 1.00 1.00 C +ATOM 1331 O SER A 87 -5.231 21.273 -15.345 1.00 1.00 O +ATOM 1332 CB SER A 87 -3.385 20.067 -12.948 1.00 1.00 C +ATOM 1333 OG SER A 87 -4.565 20.502 -12.276 1.00 1.00 O +ATOM 1334 H SER A 87 -1.612 19.420 -14.687 1.00 1.00 H +ATOM 1335 HA SER A 87 -4.447 18.972 -14.468 1.00 1.00 H +ATOM 1336 HB2 SER A 87 -2.978 19.194 -12.438 1.00 1.00 H +ATOM 1337 HB3 SER A 87 -2.629 20.850 -12.895 1.00 1.00 H +ATOM 1338 HG SER A 87 -5.330 20.542 -12.919 1.00 1.00 H +ATOM 1339 N THR A 88 -3.030 21.679 -15.670 1.00 1.00 N +ATOM 1340 CA THR A 88 -3.253 22.896 -16.431 1.00 1.00 C +ATOM 1341 C THR A 88 -2.665 22.761 -17.836 1.00 1.00 C +ATOM 1342 O THR A 88 -3.101 23.442 -18.764 1.00 1.00 O +ATOM 1343 CB THR A 88 -2.665 24.065 -15.636 1.00 1.00 C +ATOM 1344 OG1 THR A 88 -3.755 24.528 -14.845 1.00 1.00 O +ATOM 1345 CG2 THR A 88 -2.315 25.260 -16.525 1.00 1.00 C +ATOM 1346 H THR A 88 -2.070 21.429 -15.542 1.00 1.00 H +ATOM 1347 HA THR A 88 -4.328 23.038 -16.545 1.00 1.00 H +ATOM 1348 HB THR A 88 -1.800 23.745 -15.056 1.00 1.00 H +ATOM 1349 HG1 THR A 88 -3.810 24.002 -13.996 1.00 1.00 H +ATOM 1350 HG21 THR A 88 -2.970 25.269 -17.397 1.00 1.00 H +ATOM 1351 HG22 THR A 88 -2.448 26.183 -15.962 1.00 1.00 H +ATOM 1352 HG23 THR A 88 -1.279 25.178 -16.852 1.00 1.00 H +ATOM 1353 N VAL A 89 -1.685 21.877 -17.951 1.00 1.00 N +ATOM 1354 CA VAL A 89 -1.034 21.644 -19.229 1.00 1.00 C +ATOM 1355 C VAL A 89 -0.848 20.139 -19.435 1.00 1.00 C +ATOM 1356 O VAL A 89 0.212 19.594 -19.133 1.00 1.00 O +ATOM 1357 CB VAL A 89 0.282 22.422 -19.295 1.00 1.00 C +ATOM 1358 CG1 VAL A 89 1.166 21.910 -20.434 1.00 1.00 C +ATOM 1359 CG2 VAL A 89 0.023 23.924 -19.436 1.00 1.00 C +ATOM 1360 H VAL A 89 -1.337 21.327 -17.193 1.00 1.00 H +ATOM 1361 HA VAL A 89 -1.692 22.026 -20.009 1.00 1.00 H +ATOM 1362 HB VAL A 89 0.815 22.261 -18.358 1.00 1.00 H +ATOM 1363 HG11 VAL A 89 0.556 21.746 -21.322 1.00 1.00 H +ATOM 1364 HG12 VAL A 89 1.938 22.646 -20.653 1.00 1.00 H +ATOM 1365 HG13 VAL A 89 1.633 20.971 -20.137 1.00 1.00 H +ATOM 1366 HG21 VAL A 89 -0.937 24.172 -18.984 1.00 1.00 H +ATOM 1367 HG22 VAL A 89 0.816 24.478 -18.932 1.00 1.00 H +ATOM 1368 HG23 VAL A 89 0.008 24.193 -20.492 1.00 1.00 H +ATOM 1369 N ALA A 90 -1.896 19.510 -19.948 1.00 1.00 N +ATOM 1370 CA ALA A 90 -1.862 18.079 -20.198 1.00 1.00 C +ATOM 1371 C ALA A 90 -1.008 17.803 -21.436 1.00 1.00 C +ATOM 1372 O ALA A 90 -1.512 17.319 -22.448 1.00 1.00 O +ATOM 1373 CB ALA A 90 -3.291 17.552 -20.345 1.00 1.00 C +ATOM 1374 H ALA A 90 -2.755 19.962 -20.190 1.00 1.00 H +ATOM 1375 HA ALA A 90 -1.400 17.602 -19.333 1.00 1.00 H +ATOM 1376 HB1 ALA A 90 -3.997 18.365 -20.176 1.00 1.00 H +ATOM 1377 HB2 ALA A 90 -3.430 17.155 -21.352 1.00 1.00 H +ATOM 1378 HB3 ALA A 90 -3.464 16.762 -19.615 1.00 1.00 H +ATOM 1379 N ASP A 91 0.273 18.120 -21.315 1.00 1.00 N +ATOM 1380 CA ASP A 91 1.203 17.911 -22.411 1.00 1.00 C +ATOM 1381 C ASP A 91 1.407 16.410 -22.622 1.00 1.00 C +ATOM 1382 O ASP A 91 1.982 15.993 -23.627 1.00 1.00 O +ATOM 1383 CB ASP A 91 2.566 18.536 -22.105 1.00 1.00 C +ATOM 1384 CG ASP A 91 3.772 17.699 -22.536 1.00 1.00 C +ATOM 1385 OD1 ASP A 91 4.066 16.717 -21.821 1.00 1.00 O +ATOM 1386 OD2 ASP A 91 4.373 18.062 -23.570 1.00 1.00 O +ATOM 1387 H ASP A 91 0.676 18.513 -20.488 1.00 1.00 H +ATOM 1388 HA ASP A 91 0.743 18.394 -23.273 1.00 1.00 H +ATOM 1389 HB2 ASP A 91 2.622 19.507 -22.596 1.00 1.00 H +ATOM 1390 HB3 ASP A 91 2.633 18.717 -21.032 1.00 1.00 H +ATOM 1391 N GLY A 92 0.926 15.639 -21.659 1.00 1.00 N +ATOM 1392 CA GLY A 92 1.048 14.192 -21.727 1.00 1.00 C +ATOM 1393 C GLY A 92 -0.317 13.535 -21.933 1.00 1.00 C +ATOM 1394 O GLY A 92 -0.622 13.057 -23.025 1.00 1.00 O +ATOM 1395 H GLY A 92 0.460 15.985 -20.846 1.00 1.00 H +ATOM 1396 HA2 GLY A 92 1.715 13.918 -22.544 1.00 1.00 H +ATOM 1397 HA3 GLY A 92 1.500 13.819 -20.808 1.00 1.00 H +ATOM 1398 N LEU A 93 -1.105 13.533 -20.867 1.00 1.00 N +ATOM 1399 CA LEU A 93 -2.432 12.943 -20.918 1.00 1.00 C +ATOM 1400 C LEU A 93 -3.338 13.809 -21.797 1.00 1.00 C +ATOM 1401 O LEU A 93 -3.383 15.028 -21.635 1.00 1.00 O +ATOM 1402 CB LEU A 93 -2.974 12.722 -19.504 1.00 1.00 C +ATOM 1403 CG LEU A 93 -1.997 13.000 -18.360 1.00 1.00 C +ATOM 1404 CD1 LEU A 93 -2.700 12.907 -17.004 1.00 1.00 C +ATOM 1405 CD2 LEU A 93 -0.782 12.073 -18.441 1.00 1.00 C +ATOM 1406 H LEU A 93 -0.850 13.925 -19.983 1.00 1.00 H +ATOM 1407 HA LEU A 93 -2.336 11.962 -21.383 1.00 1.00 H +ATOM 1408 HB2 LEU A 93 -3.851 13.357 -19.370 1.00 1.00 H +ATOM 1409 HB3 LEU A 93 -3.314 11.689 -19.424 1.00 1.00 H +ATOM 1410 HG LEU A 93 -1.631 14.021 -18.464 1.00 1.00 H +ATOM 1411 HD11 LEU A 93 -3.372 12.048 -17.001 1.00 1.00 H +ATOM 1412 HD12 LEU A 93 -1.956 12.789 -16.217 1.00 1.00 H +ATOM 1413 HD13 LEU A 93 -3.274 13.818 -16.829 1.00 1.00 H +ATOM 1414 HD21 LEU A 93 -1.070 11.136 -18.914 1.00 1.00 H +ATOM 1415 HD22 LEU A 93 0.001 12.552 -19.028 1.00 1.00 H +ATOM 1416 HD23 LEU A 93 -0.411 11.873 -17.435 1.00 1.00 H +ATOM 1417 N ILE A 94 -4.036 13.145 -22.705 1.00 1.00 N +ATOM 1418 CA ILE A 94 -4.938 13.839 -23.609 1.00 1.00 C +ATOM 1419 C ILE A 94 -5.756 14.864 -22.820 1.00 1.00 C +ATOM 1420 O ILE A 94 -5.394 16.038 -22.758 1.00 1.00 O +ATOM 1421 CB ILE A 94 -5.793 12.837 -24.387 1.00 1.00 C +ATOM 1422 CG1 ILE A 94 -7.047 13.507 -24.951 1.00 1.00 C +ATOM 1423 CG2 ILE A 94 -6.132 11.620 -23.524 1.00 1.00 C +ATOM 1424 CD1 ILE A 94 -7.616 12.707 -26.125 1.00 1.00 C +ATOM 1425 H ILE A 94 -3.993 12.154 -22.830 1.00 1.00 H +ATOM 1426 HA ILE A 94 -4.326 14.373 -24.336 1.00 1.00 H +ATOM 1427 HB ILE A 94 -5.211 12.478 -25.235 1.00 1.00 H +ATOM 1428 HG12 ILE A 94 -7.800 13.595 -24.167 1.00 1.00 H +ATOM 1429 HG13 ILE A 94 -6.808 14.519 -25.277 1.00 1.00 H +ATOM 1430 HG21 ILE A 94 -6.012 11.875 -22.471 1.00 1.00 H +ATOM 1431 HG22 ILE A 94 -7.163 11.319 -23.709 1.00 1.00 H +ATOM 1432 HG23 ILE A 94 -5.463 10.798 -23.777 1.00 1.00 H +ATOM 1433 HD11 ILE A 94 -7.610 11.646 -25.878 1.00 1.00 H +ATOM 1434 HD12 ILE A 94 -8.639 13.029 -26.322 1.00 1.00 H +ATOM 1435 HD13 ILE A 94 -7.004 12.879 -27.010 1.00 1.00 H +ATOM 1436 N THR A 95 -6.843 14.381 -22.236 1.00 1.00 N +ATOM 1437 CA THR A 95 -7.716 15.240 -21.453 1.00 1.00 C +ATOM 1438 C THR A 95 -6.948 15.854 -20.281 1.00 1.00 C +ATOM 1439 O THR A 95 -5.951 15.294 -19.826 1.00 1.00 O +ATOM 1440 CB THR A 95 -8.928 14.413 -21.019 1.00 1.00 C +ATOM 1441 OG1 THR A 95 -9.557 15.214 -20.023 1.00 1.00 O +ATOM 1442 CG2 THR A 95 -8.530 13.138 -20.273 1.00 1.00 C +ATOM 1443 H THR A 95 -7.130 13.424 -22.291 1.00 1.00 H +ATOM 1444 HA THR A 95 -8.046 16.063 -22.086 1.00 1.00 H +ATOM 1445 HB THR A 95 -9.567 14.182 -21.871 1.00 1.00 H +ATOM 1446 HG1 THR A 95 -10.259 15.791 -20.441 1.00 1.00 H +ATOM 1447 HG21 THR A 95 -7.762 12.611 -20.840 1.00 1.00 H +ATOM 1448 HG22 THR A 95 -8.141 13.398 -19.289 1.00 1.00 H +ATOM 1449 HG23 THR A 95 -9.403 12.495 -20.161 1.00 1.00 H +ATOM 1450 N THR A 96 -7.442 16.996 -19.825 1.00 1.00 N +ATOM 1451 CA THR A 96 -6.814 17.692 -18.714 1.00 1.00 C +ATOM 1452 C THR A 96 -7.530 17.360 -17.404 1.00 1.00 C +ATOM 1453 O THR A 96 -8.698 17.699 -17.227 1.00 1.00 O +ATOM 1454 CB THR A 96 -6.803 19.186 -19.038 1.00 1.00 C +ATOM 1455 OG1 THR A 96 -8.134 19.611 -18.760 1.00 1.00 O +ATOM 1456 CG2 THR A 96 -6.629 19.460 -20.534 1.00 1.00 C +ATOM 1457 H THR A 96 -8.253 17.444 -20.201 1.00 1.00 H +ATOM 1458 HA THR A 96 -5.789 17.333 -18.618 1.00 1.00 H +ATOM 1459 HB THR A 96 -6.042 19.706 -18.457 1.00 1.00 H +ATOM 1460 HG1 THR A 96 -8.774 18.862 -18.927 1.00 1.00 H +ATOM 1461 HG21 THR A 96 -6.242 18.567 -21.024 1.00 1.00 H +ATOM 1462 HG22 THR A 96 -7.592 19.725 -20.969 1.00 1.00 H +ATOM 1463 HG23 THR A 96 -5.928 20.284 -20.674 1.00 1.00 H +ATOM 1464 N LEU A 97 -6.799 16.699 -16.519 1.00 1.00 N +ATOM 1465 CA LEU A 97 -7.349 16.316 -15.230 1.00 1.00 C +ATOM 1466 C LEU A 97 -8.276 17.425 -14.726 1.00 1.00 C +ATOM 1467 O LEU A 97 -7.844 18.561 -14.535 1.00 1.00 O +ATOM 1468 CB LEU A 97 -6.228 15.962 -14.251 1.00 1.00 C +ATOM 1469 CG LEU A 97 -5.277 14.849 -14.696 1.00 1.00 C +ATOM 1470 CD1 LEU A 97 -3.923 15.421 -15.121 1.00 1.00 C +ATOM 1471 CD2 LEU A 97 -5.132 13.783 -13.608 1.00 1.00 C +ATOM 1472 H LEU A 97 -5.849 16.425 -16.669 1.00 1.00 H +ATOM 1473 HA LEU A 97 -7.941 15.414 -15.381 1.00 1.00 H +ATOM 1474 HB2 LEU A 97 -5.640 16.860 -14.062 1.00 1.00 H +ATOM 1475 HB3 LEU A 97 -6.678 15.670 -13.302 1.00 1.00 H +ATOM 1476 HG LEU A 97 -5.708 14.360 -15.570 1.00 1.00 H +ATOM 1477 HD11 LEU A 97 -3.743 16.358 -14.593 1.00 1.00 H +ATOM 1478 HD12 LEU A 97 -3.135 14.710 -14.876 1.00 1.00 H +ATOM 1479 HD13 LEU A 97 -3.927 15.605 -16.195 1.00 1.00 H +ATOM 1480 HD21 LEU A 97 -5.575 14.148 -12.681 1.00 1.00 H +ATOM 1481 HD22 LEU A 97 -5.644 12.872 -13.921 1.00 1.00 H +ATOM 1482 HD23 LEU A 97 -4.076 13.569 -13.446 1.00 1.00 H +ATOM 1483 N HIS A 98 -9.533 17.057 -14.526 1.00 1.00 N +ATOM 1484 CA HIS A 98 -10.524 18.006 -14.049 1.00 1.00 C +ATOM 1485 C HIS A 98 -10.772 17.784 -12.555 1.00 1.00 C +ATOM 1486 O HIS A 98 -10.242 18.514 -11.720 1.00 1.00 O +ATOM 1487 CB HIS A 98 -11.805 17.919 -14.882 1.00 1.00 C +ATOM 1488 CG HIS A 98 -12.972 18.678 -14.295 1.00 1.00 C +ATOM 1489 ND1 HIS A 98 -12.840 19.934 -13.729 1.00 1.00 N +ATOM 1490 CD2 HIS A 98 -14.290 18.345 -14.194 1.00 1.00 C +ATOM 1491 CE1 HIS A 98 -14.033 20.329 -13.309 1.00 1.00 C +ATOM 1492 NE2 HIS A 98 -14.930 19.343 -13.597 1.00 1.00 N +ATOM 1493 H HIS A 98 -9.876 16.131 -14.684 1.00 1.00 H +ATOM 1494 HA HIS A 98 -10.101 19.001 -14.194 1.00 1.00 H +ATOM 1495 HB2 HIS A 98 -11.602 18.302 -15.882 1.00 1.00 H +ATOM 1496 HB3 HIS A 98 -12.084 16.871 -14.991 1.00 1.00 H +ATOM 1497 HD1 HIS A 98 -11.990 20.454 -13.650 1.00 1.00 H +ATOM 1498 HD2 HIS A 98 -14.742 17.418 -14.544 1.00 1.00 H +ATOM 1499 HE1 HIS A 98 -14.258 21.276 -12.818 1.00 1.00 H +ATOM 1500 N TYR A 99 -11.576 16.771 -12.267 1.00 1.00 N +ATOM 1501 CA TYR A 99 -11.899 16.442 -10.889 1.00 1.00 C +ATOM 1502 C TYR A 99 -12.184 14.948 -10.734 1.00 1.00 C +ATOM 1503 O TYR A 99 -13.223 14.462 -11.176 1.00 1.00 O +ATOM 1504 CB TYR A 99 -13.169 17.229 -10.555 1.00 1.00 C +ATOM 1505 CG TYR A 99 -14.465 16.464 -10.827 1.00 1.00 C +ATOM 1506 CD1 TYR A 99 -14.806 16.124 -12.121 1.00 1.00 C +ATOM 1507 CD2 TYR A 99 -15.292 16.113 -9.780 1.00 1.00 C +ATOM 1508 CE1 TYR A 99 -16.026 15.403 -12.377 1.00 1.00 C +ATOM 1509 CE2 TYR A 99 -16.512 15.392 -10.037 1.00 1.00 C +ATOM 1510 CZ TYR A 99 -16.819 15.073 -11.323 1.00 1.00 C +ATOM 1511 OH TYR A 99 -17.971 14.392 -11.565 1.00 1.00 O +ATOM 1512 H TYR A 99 -12.001 16.182 -12.953 1.00 1.00 H +ATOM 1513 HA TYR A 99 -11.043 16.707 -10.270 1.00 1.00 H +ATOM 1514 HB2 TYR A 99 -13.141 17.514 -9.503 1.00 1.00 H +ATOM 1515 HB3 TYR A 99 -13.175 18.152 -11.134 1.00 1.00 H +ATOM 1516 HD1 TYR A 99 -14.153 16.400 -12.948 1.00 1.00 H +ATOM 1517 HD2 TYR A 99 -15.022 16.381 -8.758 1.00 1.00 H +ATOM 1518 HE1 TYR A 99 -16.308 15.128 -13.394 1.00 1.00 H +ATOM 1519 HE2 TYR A 99 -17.175 15.109 -9.219 1.00 1.00 H +ATOM 1520 HH TYR A 99 -17.831 13.415 -11.408 1.00 1.00 H +ATOM 1521 N PRO A 100 -11.218 14.242 -10.086 1.00 1.00 N +ATOM 1522 CA PRO A 100 -11.355 12.812 -9.868 1.00 1.00 C +ATOM 1523 C PRO A 100 -12.362 12.522 -8.752 1.00 1.00 C +ATOM 1524 O PRO A 100 -11.991 12.433 -7.584 1.00 1.00 O +ATOM 1525 CB PRO A 100 -9.952 12.328 -9.542 1.00 1.00 C +ATOM 1526 CG PRO A 100 -9.169 13.565 -9.133 1.00 1.00 C +ATOM 1527 CD PRO A 100 -9.975 14.785 -9.549 1.00 1.00 C +ATOM 1528 HA PRO A 100 -11.719 12.370 -10.687 1.00 1.00 H +ATOM 1529 HB2 PRO A 100 -9.970 11.594 -8.736 1.00 1.00 H +ATOM 1530 HB3 PRO A 100 -9.495 11.844 -10.405 1.00 1.00 H +ATOM 1531 HG2 PRO A 100 -8.996 13.570 -8.057 1.00 1.00 H +ATOM 1532 HG3 PRO A 100 -8.190 13.572 -9.614 1.00 1.00 H +ATOM 1533 HD2 PRO A 100 -10.164 15.442 -8.700 1.00 1.00 H +ATOM 1534 HD3 PRO A 100 -9.444 15.375 -10.296 1.00 1.00 H +ATOM 1535 N ALA A 101 -13.617 12.383 -9.154 1.00 1.00 N +ATOM 1536 CA ALA A 101 -14.681 12.105 -8.204 1.00 1.00 C +ATOM 1537 C ALA A 101 -14.245 10.969 -7.275 1.00 1.00 C +ATOM 1538 O ALA A 101 -13.512 10.071 -7.688 1.00 1.00 O +ATOM 1539 CB ALA A 101 -15.969 11.776 -8.960 1.00 1.00 C +ATOM 1540 H ALA A 101 -13.911 12.456 -10.107 1.00 1.00 H +ATOM 1541 HA ALA A 101 -14.841 13.005 -7.612 1.00 1.00 H +ATOM 1542 HB1 ALA A 101 -15.721 11.326 -9.921 1.00 1.00 H +ATOM 1543 HB2 ALA A 101 -16.566 11.077 -8.375 1.00 1.00 H +ATOM 1544 HB3 ALA A 101 -16.538 12.692 -9.124 1.00 1.00 H +ATOM 1545 N PRO A 102 -14.725 11.050 -6.005 1.00 1.00 N +ATOM 1546 CA PRO A 102 -14.392 10.039 -5.015 1.00 1.00 C +ATOM 1547 C PRO A 102 -15.172 8.748 -5.266 1.00 1.00 C +ATOM 1548 O PRO A 102 -16.333 8.787 -5.669 1.00 1.00 O +ATOM 1549 CB PRO A 102 -14.719 10.680 -3.675 1.00 1.00 C +ATOM 1550 CG PRO A 102 -15.652 11.840 -3.984 1.00 1.00 C +ATOM 1551 CD PRO A 102 -15.594 12.099 -5.481 1.00 1.00 C +ATOM 1552 HA PRO A 102 -13.425 9.792 -5.082 1.00 1.00 H +ATOM 1553 HB2 PRO A 102 -15.195 9.963 -3.006 1.00 1.00 H +ATOM 1554 HB3 PRO A 102 -13.813 11.029 -3.178 1.00 1.00 H +ATOM 1555 HG2 PRO A 102 -16.670 11.602 -3.677 1.00 1.00 H +ATOM 1556 HG3 PRO A 102 -15.351 12.730 -3.431 1.00 1.00 H +ATOM 1557 HD2 PRO A 102 -16.586 12.052 -5.929 1.00 1.00 H +ATOM 1558 HD3 PRO A 102 -15.193 13.089 -5.696 1.00 1.00 H +ATOM 1559 N LYS A 103 -14.503 7.632 -5.016 1.00 1.00 N +ATOM 1560 CA LYS A 103 -15.118 6.330 -5.209 1.00 1.00 C +ATOM 1561 C LYS A 103 -14.993 5.514 -3.921 1.00 1.00 C +ATOM 1562 O LYS A 103 -14.530 4.375 -3.946 1.00 1.00 O +ATOM 1563 CB LYS A 103 -14.527 5.635 -6.437 1.00 1.00 C +ATOM 1564 CG LYS A 103 -13.029 5.921 -6.560 1.00 1.00 C +ATOM 1565 CD LYS A 103 -12.225 5.064 -5.581 1.00 1.00 C +ATOM 1566 CE LYS A 103 -11.823 5.875 -4.347 1.00 1.00 C +ATOM 1567 NZ LYS A 103 -10.889 5.099 -3.499 1.00 1.00 N +ATOM 1568 H LYS A 103 -13.558 7.608 -4.688 1.00 1.00 H +ATOM 1569 HA LYS A 103 -16.177 6.496 -5.411 1.00 1.00 H +ATOM 1570 HB2 LYS A 103 -14.691 4.560 -6.366 1.00 1.00 H +ATOM 1571 HB3 LYS A 103 -15.042 5.976 -7.335 1.00 1.00 H +ATOM 1572 HG2 LYS A 103 -12.700 5.720 -7.580 1.00 1.00 H +ATOM 1573 HG3 LYS A 103 -12.840 6.976 -6.367 1.00 1.00 H +ATOM 1574 HD2 LYS A 103 -12.816 4.201 -5.277 1.00 1.00 H +ATOM 1575 HD3 LYS A 103 -11.332 4.681 -6.075 1.00 1.00 H +ATOM 1576 HE2 LYS A 103 -11.353 6.809 -4.656 1.00 1.00 H +ATOM 1577 HE3 LYS A 103 -12.711 6.139 -3.772 1.00 1.00 H +ATOM 1578 HZ1 LYS A 103 -11.163 4.138 -3.495 1.00 1.00 H +ATOM 1579 HZ2 LYS A 103 -9.962 5.181 -3.865 1.00 1.00 H +ATOM 1580 HZ3 LYS A 103 -10.912 5.457 -2.566 1.00 1.00 H +ATOM 1581 N ARG A 104 -15.413 6.130 -2.825 1.00 1.00 N +ATOM 1582 CA ARG A 104 -15.354 5.475 -1.529 1.00 1.00 C +ATOM 1583 C ARG A 104 -16.554 4.543 -1.350 1.00 1.00 C +ATOM 1584 O ARG A 104 -16.390 3.371 -1.018 1.00 1.00 O +ATOM 1585 CB ARG A 104 -15.338 6.501 -0.395 1.00 1.00 C +ATOM 1586 CG ARG A 104 -15.988 7.816 -0.834 1.00 1.00 C +ATOM 1587 CD ARG A 104 -16.367 8.671 0.376 1.00 1.00 C +ATOM 1588 NE ARG A 104 -17.700 9.280 0.167 1.00 1.00 N +ATOM 1589 CZ ARG A 104 -17.905 10.433 -0.484 1.00 1.00 C +ATOM 1590 NH1 ARG A 104 -16.867 11.108 -0.995 1.00 1.00 N +ATOM 1591 NH2 ARG A 104 -19.150 10.909 -0.626 1.00 1.00 N +ATOM 1592 H ARG A 104 -15.789 7.056 -2.813 1.00 1.00 H +ATOM 1593 HA ARG A 104 -14.420 4.914 -1.544 1.00 1.00 H +ATOM 1594 HB2 ARG A 104 -15.870 6.101 0.470 1.00 1.00 H +ATOM 1595 HB3 ARG A 104 -14.312 6.685 -0.080 1.00 1.00 H +ATOM 1596 HG2 ARG A 104 -15.299 8.368 -1.473 1.00 1.00 H +ATOM 1597 HG3 ARG A 104 -16.876 7.605 -1.429 1.00 1.00 H +ATOM 1598 HD2 ARG A 104 -16.375 8.058 1.277 1.00 1.00 H +ATOM 1599 HD3 ARG A 104 -15.621 9.452 0.529 1.00 1.00 H +ATOM 1600 HE ARG A 104 -18.497 8.801 0.535 1.00 1.00 H +ATOM 1601 HH11 ARG A 104 -15.938 10.752 -0.888 1.00 1.00 H +ATOM 1602 HH12 ARG A 104 -17.020 11.969 -1.481 1.00 1.00 H +ATOM 1603 HH21 ARG A 104 -19.924 10.405 -0.246 1.00 1.00 H +ATOM 1604 HH22 ARG A 104 -19.303 11.769 -1.112 1.00 1.00 H +ATOM 1605 N GLY A 105 -17.735 5.101 -1.577 1.00 1.00 N +ATOM 1606 CA GLY A 105 -18.962 4.335 -1.445 1.00 1.00 C +ATOM 1607 C GLY A 105 -19.614 4.102 -2.810 1.00 1.00 C +ATOM 1608 O GLY A 105 -20.590 4.764 -3.157 1.00 1.00 O +ATOM 1609 H GLY A 105 -17.860 6.056 -1.847 1.00 1.00 H +ATOM 1610 HA2 GLY A 105 -18.748 3.377 -0.971 1.00 1.00 H +ATOM 1611 HA3 GLY A 105 -19.657 4.865 -0.792 1.00 1.00 H +ATOM 1612 N ILE A 106 -19.047 3.158 -3.546 1.00 1.00 N +ATOM 1613 CA ILE A 106 -19.559 2.829 -4.865 1.00 1.00 C +ATOM 1614 C ILE A 106 -20.610 1.724 -4.738 1.00 1.00 C +ATOM 1615 O ILE A 106 -21.640 1.761 -5.409 1.00 1.00 O +ATOM 1616 CB ILE A 106 -18.411 2.480 -5.815 1.00 1.00 C +ATOM 1617 CG1 ILE A 106 -18.938 2.139 -7.210 1.00 1.00 C +ATOM 1618 CG2 ILE A 106 -17.545 1.357 -5.239 1.00 1.00 C +ATOM 1619 CD1 ILE A 106 -19.423 0.690 -7.274 1.00 1.00 C +ATOM 1620 H ILE A 106 -18.252 2.624 -3.256 1.00 1.00 H +ATOM 1621 HA ILE A 106 -20.043 3.722 -5.260 1.00 1.00 H +ATOM 1622 HB ILE A 106 -17.774 3.357 -5.916 1.00 1.00 H +ATOM 1623 HG12 ILE A 106 -19.756 2.811 -7.467 1.00 1.00 H +ATOM 1624 HG13 ILE A 106 -18.152 2.297 -7.948 1.00 1.00 H +ATOM 1625 HG21 ILE A 106 -18.185 0.605 -4.777 1.00 1.00 H +ATOM 1626 HG22 ILE A 106 -16.966 0.898 -6.040 1.00 1.00 H +ATOM 1627 HG23 ILE A 106 -16.868 1.768 -4.490 1.00 1.00 H +ATOM 1628 HD11 ILE A 106 -19.444 0.269 -6.269 1.00 1.00 H +ATOM 1629 HD12 ILE A 106 -20.425 0.660 -7.702 1.00 1.00 H +ATOM 1630 HD13 ILE A 106 -18.744 0.107 -7.897 1.00 1.00 H +ATOM 1631 N HIS A 107 -20.313 0.766 -3.872 1.00 1.00 N +ATOM 1632 CA HIS A 107 -21.218 -0.348 -3.648 1.00 1.00 C +ATOM 1633 C HIS A 107 -20.514 -1.425 -2.820 1.00 1.00 C +ATOM 1634 O HIS A 107 -19.400 -1.831 -3.143 1.00 1.00 O +ATOM 1635 CB HIS A 107 -21.761 -0.883 -4.976 1.00 1.00 C +ATOM 1636 CG HIS A 107 -23.256 -0.745 -5.129 1.00 1.00 C +ATOM 1637 ND1 HIS A 107 -24.087 -1.821 -5.385 1.00 1.00 N +ATOM 1638 CD2 HIS A 107 -24.062 0.354 -5.056 1.00 1.00 C +ATOM 1639 CE1 HIS A 107 -25.333 -1.380 -5.464 1.00 1.00 C +ATOM 1640 NE2 HIS A 107 -25.316 -0.031 -5.260 1.00 1.00 N +ATOM 1641 H HIS A 107 -19.473 0.742 -3.330 1.00 1.00 H +ATOM 1642 HA HIS A 107 -22.061 0.043 -3.079 1.00 1.00 H +ATOM 1643 HB2 HIS A 107 -21.272 -0.355 -5.795 1.00 1.00 H +ATOM 1644 HB3 HIS A 107 -21.492 -1.935 -5.069 1.00 1.00 H +ATOM 1645 HD1 HIS A 107 -23.795 -2.772 -5.494 1.00 1.00 H +ATOM 1646 HD2 HIS A 107 -23.731 1.374 -4.864 1.00 1.00 H +ATOM 1647 HE1 HIS A 107 -26.217 -1.987 -5.657 1.00 1.00 H +ATOM 1648 N ARG A 108 -21.194 -1.854 -1.766 1.00 1.00 N +ATOM 1649 CA ARG A 108 -20.648 -2.875 -0.889 1.00 1.00 C +ATOM 1650 C ARG A 108 -21.607 -3.146 0.272 1.00 1.00 C +ATOM 1651 O ARG A 108 -21.332 -2.768 1.410 1.00 1.00 O +ATOM 1652 CB ARG A 108 -19.288 -2.450 -0.329 1.00 1.00 C +ATOM 1653 CG ARG A 108 -19.372 -1.071 0.328 1.00 1.00 C +ATOM 1654 CD ARG A 108 -19.024 0.034 -0.670 1.00 1.00 C +ATOM 1655 NE ARG A 108 -18.368 1.162 0.030 1.00 1.00 N +ATOM 1656 CZ ARG A 108 -18.980 1.942 0.932 1.00 1.00 C +ATOM 1657 NH1 ARG A 108 -20.263 1.723 1.247 1.00 1.00 N +ATOM 1658 NH2 ARG A 108 -18.307 2.942 1.518 1.00 1.00 N +ATOM 1659 H ARG A 108 -22.100 -1.517 -1.510 1.00 1.00 H +ATOM 1660 HA ARG A 108 -20.537 -3.756 -1.521 1.00 1.00 H +ATOM 1661 HB2 ARG A 108 -18.945 -3.184 0.400 1.00 1.00 H +ATOM 1662 HB3 ARG A 108 -18.551 -2.429 -1.132 1.00 1.00 H +ATOM 1663 HG2 ARG A 108 -20.378 -0.910 0.717 1.00 1.00 H +ATOM 1664 HG3 ARG A 108 -18.691 -1.027 1.178 1.00 1.00 H +ATOM 1665 HD2 ARG A 108 -18.362 -0.358 -1.444 1.00 1.00 H +ATOM 1666 HD3 ARG A 108 -19.927 0.383 -1.171 1.00 1.00 H +ATOM 1667 HE ARG A 108 -17.410 1.352 -0.181 1.00 1.00 H +ATOM 1668 HH11 ARG A 108 -20.765 0.978 0.811 1.00 1.00 H +ATOM 1669 HH12 ARG A 108 -20.719 2.306 1.921 1.00 1.00 H +ATOM 1670 HH21 ARG A 108 -17.348 3.105 1.283 1.00 1.00 H +ATOM 1671 HH22 ARG A 108 -18.763 3.525 2.191 1.00 1.00 H +ATOM 1672 N ASP A 109 -22.713 -3.797 -0.056 1.00 1.00 N +ATOM 1673 CA ASP A 109 -23.714 -4.123 0.944 1.00 1.00 C +ATOM 1674 C ASP A 109 -24.243 -2.831 1.571 1.00 1.00 C +ATOM 1675 O ASP A 109 -23.690 -1.765 1.224 1.00 1.00 O +ATOM 1676 CB ASP A 109 -23.117 -4.981 2.063 1.00 1.00 C +ATOM 1677 CG ASP A 109 -23.871 -4.924 3.393 1.00 1.00 C +ATOM 1678 OD1 ASP A 109 -25.036 -5.475 3.383 1.00 1.00 O +ATOM 1679 OD2 ASP A 109 -23.368 -4.382 4.389 1.00 1.00 O +ATOM 1680 OXT ASP A 109 -25.170 -2.863 2.378 1.00 1.00 O +ATOM 1681 H ASP A 109 -22.929 -4.100 -0.984 1.00 1.00 H +ATOM 1682 HA ASP A 109 -24.488 -4.673 0.408 1.00 1.00 H +ATOM 1683 HB2 ASP A 109 -23.083 -6.017 1.726 1.00 1.00 H +ATOM 1684 HB3 ASP A 109 -22.088 -4.666 2.231 1.00 1.00 H +TER 1685 ASP A 109 +ENDMDL +MODEL 2 +ATOM 1 N GLY A 1 -12.301 -1.087 1.440 1.00 1.00 N +ATOM 2 CA GLY A 1 -12.028 -1.646 0.126 1.00 1.00 C +ATOM 3 C GLY A 1 -11.475 -0.579 -0.821 1.00 1.00 C +ATOM 4 O GLY A 1 -11.210 0.547 -0.405 1.00 1.00 O +ATOM 5 H1 GLY A 1 -11.478 -0.598 1.776 1.00 1.00 H +ATOM 6 H2 GLY A 1 -13.077 -0.437 1.375 1.00 1.00 H +ATOM 7 H3 GLY A 1 -12.537 -1.833 2.083 1.00 1.00 H +ATOM 8 HA2 GLY A 1 -11.312 -2.463 0.217 1.00 1.00 H +ATOM 9 HA3 GLY A 1 -12.942 -2.070 -0.289 1.00 1.00 H +ATOM 10 N SER A 2 -11.320 -0.972 -2.077 1.00 1.00 N +ATOM 11 CA SER A 2 -10.804 -0.064 -3.086 1.00 1.00 C +ATOM 12 C SER A 2 -9.349 0.291 -2.777 1.00 1.00 C +ATOM 13 O SER A 2 -8.443 -0.078 -3.523 1.00 1.00 O +ATOM 14 CB SER A 2 -11.654 1.206 -3.172 1.00 1.00 C +ATOM 15 OG SER A 2 -12.907 0.968 -3.807 1.00 1.00 O +ATOM 16 H SER A 2 -11.538 -1.891 -2.406 1.00 1.00 H +ATOM 17 HA SER A 2 -10.872 -0.609 -4.028 1.00 1.00 H +ATOM 18 HB2 SER A 2 -11.826 1.595 -2.167 1.00 1.00 H +ATOM 19 HB3 SER A 2 -11.108 1.972 -3.720 1.00 1.00 H +ATOM 20 HG SER A 2 -12.976 0.008 -4.080 1.00 1.00 H +ATOM 21 N GLY A 3 -9.169 1.005 -1.674 1.00 1.00 N +ATOM 22 CA GLY A 3 -7.838 1.414 -1.257 1.00 1.00 C +ATOM 23 C GLY A 3 -6.846 0.255 -1.371 1.00 1.00 C +ATOM 24 O GLY A 3 -7.169 -0.880 -1.021 1.00 1.00 O +ATOM 25 H GLY A 3 -9.910 1.302 -1.073 1.00 1.00 H +ATOM 26 HA2 GLY A 3 -7.501 2.249 -1.871 1.00 1.00 H +ATOM 27 HA3 GLY A 3 -7.871 1.769 -0.227 1.00 1.00 H +ATOM 28 N ASN A 4 -5.660 0.579 -1.863 1.00 1.00 N +ATOM 29 CA ASN A 4 -4.619 -0.420 -2.029 1.00 1.00 C +ATOM 30 C ASN A 4 -3.249 0.255 -1.929 1.00 1.00 C +ATOM 31 O ASN A 4 -2.410 -0.151 -1.128 1.00 1.00 O +ATOM 32 CB ASN A 4 -4.715 -1.095 -3.398 1.00 1.00 C +ATOM 33 CG ASN A 4 -3.651 -2.183 -3.550 1.00 1.00 C +ATOM 34 OD1 ASN A 4 -2.474 -1.973 -3.309 1.00 1.00 O +ATOM 35 ND2 ASN A 4 -4.128 -3.354 -3.963 1.00 1.00 N +ATOM 36 H ASN A 4 -5.406 1.506 -2.144 1.00 1.00 H +ATOM 37 HA ASN A 4 -4.787 -1.143 -1.230 1.00 1.00 H +ATOM 38 HB2 ASN A 4 -5.707 -1.531 -3.523 1.00 1.00 H +ATOM 39 HB3 ASN A 4 -4.595 -0.349 -4.184 1.00 1.00 H +ATOM 40 HD21 ASN A 4 -5.107 -3.459 -4.144 1.00 1.00 H +ATOM 41 HD22 ASN A 4 -3.510 -4.128 -4.093 1.00 1.00 H +ATOM 42 N SER A 5 -3.067 1.274 -2.756 1.00 1.00 N +ATOM 43 CA SER A 5 -1.813 2.009 -2.773 1.00 1.00 C +ATOM 44 C SER A 5 -1.983 3.348 -2.051 1.00 1.00 C +ATOM 45 O SER A 5 -1.519 4.379 -2.534 1.00 1.00 O +ATOM 46 CB SER A 5 -1.325 2.236 -4.205 1.00 1.00 C +ATOM 47 OG SER A 5 -2.352 2.762 -5.040 1.00 1.00 O +ATOM 48 H SER A 5 -3.755 1.597 -3.405 1.00 1.00 H +ATOM 49 HA SER A 5 -1.102 1.377 -2.243 1.00 1.00 H +ATOM 50 HB2 SER A 5 -0.477 2.920 -4.195 1.00 1.00 H +ATOM 51 HB3 SER A 5 -0.969 1.293 -4.619 1.00 1.00 H +ATOM 52 HG SER A 5 -2.016 3.570 -5.527 1.00 1.00 H +ATOM 53 N LEU A 6 -2.648 3.287 -0.907 1.00 1.00 N +ATOM 54 CA LEU A 6 -2.884 4.483 -0.114 1.00 1.00 C +ATOM 55 C LEU A 6 -3.750 5.458 -0.916 1.00 1.00 C +ATOM 56 O LEU A 6 -3.617 5.553 -2.135 1.00 1.00 O +ATOM 57 CB LEU A 6 -1.558 5.083 0.358 1.00 1.00 C +ATOM 58 CG LEU A 6 -1.026 4.563 1.695 1.00 1.00 C +ATOM 59 CD1 LEU A 6 -1.997 4.884 2.834 1.00 1.00 C +ATOM 60 CD2 LEU A 6 -0.710 3.068 1.616 1.00 1.00 C +ATOM 61 H LEU A 6 -3.021 2.444 -0.522 1.00 1.00 H +ATOM 62 HA LEU A 6 -3.437 4.180 0.775 1.00 1.00 H +ATOM 63 HB2 LEU A 6 -0.805 4.896 -0.407 1.00 1.00 H +ATOM 64 HB3 LEU A 6 -1.677 6.163 0.431 1.00 1.00 H +ATOM 65 HG LEU A 6 -0.091 5.079 1.914 1.00 1.00 H +ATOM 66 HD11 LEU A 6 -2.582 5.766 2.574 1.00 1.00 H +ATOM 67 HD12 LEU A 6 -2.665 4.037 2.990 1.00 1.00 H +ATOM 68 HD13 LEU A 6 -1.433 5.077 3.747 1.00 1.00 H +ATOM 69 HD21 LEU A 6 -0.128 2.867 0.717 1.00 1.00 H +ATOM 70 HD22 LEU A 6 -0.136 2.772 2.494 1.00 1.00 H +ATOM 71 HD23 LEU A 6 -1.640 2.501 1.581 1.00 1.00 H +ATOM 72 N GLU A 7 -4.616 6.156 -0.199 1.00 1.00 N +ATOM 73 CA GLU A 7 -5.502 7.120 -0.827 1.00 1.00 C +ATOM 74 C GLU A 7 -4.734 8.394 -1.185 1.00 1.00 C +ATOM 75 O GLU A 7 -4.973 9.452 -0.604 1.00 1.00 O +ATOM 76 CB GLU A 7 -6.697 7.437 0.076 1.00 1.00 C +ATOM 77 CG GLU A 7 -8.001 6.932 -0.544 1.00 1.00 C +ATOM 78 CD GLU A 7 -9.206 7.685 0.023 1.00 1.00 C +ATOM 79 OE1 GLU A 7 -9.205 8.957 -0.191 1.00 1.00 O +ATOM 80 OE2 GLU A 7 -10.090 7.068 0.637 1.00 1.00 O +ATOM 81 H GLU A 7 -4.717 6.074 0.793 1.00 1.00 H +ATOM 82 HA GLU A 7 -5.860 6.637 -1.735 1.00 1.00 H +ATOM 83 HB2 GLU A 7 -6.551 6.975 1.053 1.00 1.00 H +ATOM 84 HB3 GLU A 7 -6.760 8.513 0.238 1.00 1.00 H +ATOM 85 HG2 GLU A 7 -7.967 7.058 -1.626 1.00 1.00 H +ATOM 86 HG3 GLU A 7 -8.111 5.864 -0.350 1.00 1.00 H +ATOM 87 N LYS A 8 -3.826 8.251 -2.140 1.00 1.00 N +ATOM 88 CA LYS A 8 -3.021 9.377 -2.582 1.00 1.00 C +ATOM 89 C LYS A 8 -3.932 10.578 -2.840 1.00 1.00 C +ATOM 90 O LYS A 8 -4.310 11.286 -1.907 1.00 1.00 O +ATOM 91 CB LYS A 8 -2.167 8.982 -3.788 1.00 1.00 C +ATOM 92 CG LYS A 8 -0.787 9.639 -3.720 1.00 1.00 C +ATOM 93 CD LYS A 8 -0.844 11.089 -4.202 1.00 1.00 C +ATOM 94 CE LYS A 8 -0.514 12.059 -3.067 1.00 1.00 C +ATOM 95 NZ LYS A 8 0.948 12.272 -2.977 1.00 1.00 N +ATOM 96 H LYS A 8 -3.638 7.387 -2.607 1.00 1.00 H +ATOM 97 HA LYS A 8 -2.338 9.627 -1.771 1.00 1.00 H +ATOM 98 HB2 LYS A 8 -2.056 7.899 -3.823 1.00 1.00 H +ATOM 99 HB3 LYS A 8 -2.671 9.281 -4.708 1.00 1.00 H +ATOM 100 HG2 LYS A 8 -0.416 9.607 -2.696 1.00 1.00 H +ATOM 101 HG3 LYS A 8 -0.082 9.076 -4.332 1.00 1.00 H +ATOM 102 HD2 LYS A 8 -0.140 11.231 -5.023 1.00 1.00 H +ATOM 103 HD3 LYS A 8 -1.837 11.306 -4.594 1.00 1.00 H +ATOM 104 HE2 LYS A 8 -1.016 13.011 -3.236 1.00 1.00 H +ATOM 105 HE3 LYS A 8 -0.889 11.664 -2.124 1.00 1.00 H +ATOM 106 HZ1 LYS A 8 1.346 12.275 -3.904 1.00 1.00 H +ATOM 107 HZ2 LYS A 8 1.131 13.159 -2.529 1.00 1.00 H +ATOM 108 HZ3 LYS A 8 1.405 11.546 -2.438 1.00 1.00 H +ATOM 109 N HIS A 9 -4.256 10.774 -4.110 1.00 1.00 N +ATOM 110 CA HIS A 9 -5.114 11.879 -4.502 1.00 1.00 C +ATOM 111 C HIS A 9 -6.581 11.480 -4.316 1.00 1.00 C +ATOM 112 O HIS A 9 -6.880 10.328 -4.006 1.00 1.00 O +ATOM 113 CB HIS A 9 -4.800 12.332 -5.927 1.00 1.00 C +ATOM 114 CG HIS A 9 -3.612 13.259 -6.030 1.00 1.00 C +ATOM 115 ND1 HIS A 9 -2.675 13.389 -5.020 1.00 1.00 N +ATOM 116 CD2 HIS A 9 -3.219 14.096 -7.032 1.00 1.00 C +ATOM 117 CE1 HIS A 9 -1.763 14.270 -5.407 1.00 1.00 C +ATOM 118 NE2 HIS A 9 -2.102 14.707 -6.654 1.00 1.00 N +ATOM 119 H HIS A 9 -3.944 10.194 -4.861 1.00 1.00 H +ATOM 120 HA HIS A 9 -4.884 12.707 -3.831 1.00 1.00 H +ATOM 121 HB2 HIS A 9 -4.615 11.452 -6.545 1.00 1.00 H +ATOM 122 HB3 HIS A 9 -5.675 12.833 -6.341 1.00 1.00 H +ATOM 123 HD1 HIS A 9 -2.683 12.903 -4.146 1.00 1.00 H +ATOM 124 HD2 HIS A 9 -3.734 14.239 -7.981 1.00 1.00 H +ATOM 125 HE1 HIS A 9 -0.895 14.589 -4.830 1.00 1.00 H +ATOM 126 N SER A 10 -7.454 12.456 -4.513 1.00 1.00 N +ATOM 127 CA SER A 10 -8.882 12.222 -4.371 1.00 1.00 C +ATOM 128 C SER A 10 -9.443 11.619 -5.660 1.00 1.00 C +ATOM 129 O SER A 10 -10.607 11.837 -5.997 1.00 1.00 O +ATOM 130 CB SER A 10 -9.621 13.516 -4.025 1.00 1.00 C +ATOM 131 OG SER A 10 -9.781 13.679 -2.619 1.00 1.00 O +ATOM 132 H SER A 10 -7.203 13.391 -4.765 1.00 1.00 H +ATOM 133 HA SER A 10 -8.979 11.517 -3.545 1.00 1.00 H +ATOM 134 HB2 SER A 10 -9.072 14.366 -4.429 1.00 1.00 H +ATOM 135 HB3 SER A 10 -10.600 13.513 -4.503 1.00 1.00 H +ATOM 136 HG SER A 10 -9.450 14.582 -2.339 1.00 1.00 H +ATOM 137 N TRP A 11 -8.592 10.870 -6.346 1.00 1.00 N +ATOM 138 CA TRP A 11 -8.989 10.235 -7.590 1.00 1.00 C +ATOM 139 C TRP A 11 -8.217 8.919 -7.717 1.00 1.00 C +ATOM 140 O TRP A 11 -8.292 8.247 -8.743 1.00 1.00 O +ATOM 141 CB TRP A 11 -8.771 11.171 -8.780 1.00 1.00 C +ATOM 142 CG TRP A 11 -7.418 11.888 -8.767 1.00 1.00 C +ATOM 143 CD1 TRP A 11 -7.183 13.202 -8.649 1.00 1.00 C +ATOM 144 CD2 TRP A 11 -6.118 11.273 -8.882 1.00 1.00 C +ATOM 145 NE1 TRP A 11 -5.831 13.478 -8.680 1.00 1.00 N +ATOM 146 CE2 TRP A 11 -5.163 12.269 -8.825 1.00 1.00 C +ATOM 147 CE3 TRP A 11 -5.760 9.922 -9.029 1.00 1.00 C +ATOM 148 CZ2 TRP A 11 -3.788 12.016 -8.909 1.00 1.00 C +ATOM 149 CZ3 TRP A 11 -4.383 9.687 -9.111 1.00 1.00 C +ATOM 150 CH2 TRP A 11 -3.408 10.677 -9.055 1.00 1.00 C +ATOM 151 H TRP A 11 -7.648 10.698 -6.065 1.00 1.00 H +ATOM 152 HA TRP A 11 -10.059 10.035 -7.536 1.00 1.00 H +ATOM 153 HB2 TRP A 11 -8.857 10.597 -9.702 1.00 1.00 H +ATOM 154 HB3 TRP A 11 -9.566 11.918 -8.793 1.00 1.00 H +ATOM 155 HD1 TRP A 11 -7.960 13.958 -8.542 1.00 1.00 H +ATOM 156 HE1 TRP A 11 -5.371 14.463 -8.604 1.00 1.00 H +ATOM 157 HE3 TRP A 11 -6.495 9.119 -9.077 1.00 1.00 H +ATOM 158 HZ2 TRP A 11 -3.053 12.819 -8.861 1.00 1.00 H +ATOM 159 HZ3 TRP A 11 -4.051 8.655 -9.225 1.00 1.00 H +ATOM 160 HH2 TRP A 11 -2.354 10.411 -9.126 1.00 1.00 H +ATOM 161 N TYR A 12 -7.492 8.593 -6.657 1.00 1.00 N +ATOM 162 CA TYR A 12 -6.706 7.369 -6.636 1.00 1.00 C +ATOM 163 C TYR A 12 -7.098 6.487 -5.449 1.00 1.00 C +ATOM 164 O TYR A 12 -6.888 6.863 -4.296 1.00 1.00 O +ATOM 165 CB TYR A 12 -5.249 7.808 -6.473 1.00 1.00 C +ATOM 166 CG TYR A 12 -4.230 6.732 -6.859 1.00 1.00 C +ATOM 167 CD1 TYR A 12 -4.576 5.746 -7.758 1.00 1.00 C +ATOM 168 CD2 TYR A 12 -2.966 6.752 -6.306 1.00 1.00 C +ATOM 169 CE1 TYR A 12 -3.617 4.734 -8.121 1.00 1.00 C +ATOM 170 CE2 TYR A 12 -2.006 5.741 -6.669 1.00 1.00 C +ATOM 171 CZ TYR A 12 -2.379 4.781 -7.559 1.00 1.00 C +ATOM 172 OH TYR A 12 -1.474 3.827 -7.901 1.00 1.00 O +ATOM 173 H TYR A 12 -7.435 9.145 -5.825 1.00 1.00 H +ATOM 174 HA TYR A 12 -6.902 6.828 -7.561 1.00 1.00 H +ATOM 175 HB2 TYR A 12 -5.076 8.693 -7.083 1.00 1.00 H +ATOM 176 HB3 TYR A 12 -5.082 8.097 -5.435 1.00 1.00 H +ATOM 177 HD1 TYR A 12 -5.576 5.731 -8.194 1.00 1.00 H +ATOM 178 HD2 TYR A 12 -2.692 7.531 -5.595 1.00 1.00 H +ATOM 179 HE1 TYR A 12 -3.877 3.949 -8.831 1.00 1.00 H +ATOM 180 HE2 TYR A 12 -1.004 5.744 -6.241 1.00 1.00 H +ATOM 181 HH TYR A 12 -1.318 3.843 -8.889 1.00 1.00 H +ATOM 182 N HIS A 13 -7.659 5.330 -5.771 1.00 1.00 N +ATOM 183 CA HIS A 13 -8.080 4.392 -4.746 1.00 1.00 C +ATOM 184 C HIS A 13 -7.310 3.081 -4.903 1.00 1.00 C +ATOM 185 O HIS A 13 -7.696 2.058 -4.338 1.00 1.00 O +ATOM 186 CB HIS A 13 -9.598 4.197 -4.779 1.00 1.00 C +ATOM 187 CG HIS A 13 -10.261 4.753 -6.016 1.00 1.00 C +ATOM 188 ND1 HIS A 13 -11.015 3.975 -6.877 1.00 1.00 N +ATOM 189 CD2 HIS A 13 -10.277 6.017 -6.527 1.00 1.00 C +ATOM 190 CE1 HIS A 13 -11.459 4.747 -7.858 1.00 1.00 C +ATOM 191 NE2 HIS A 13 -10.999 6.013 -7.640 1.00 1.00 N +ATOM 192 H HIS A 13 -7.824 5.033 -6.711 1.00 1.00 H +ATOM 193 HA HIS A 13 -7.824 4.842 -3.786 1.00 1.00 H +ATOM 194 HB2 HIS A 13 -9.817 3.132 -4.708 1.00 1.00 H +ATOM 195 HB3 HIS A 13 -10.034 4.671 -3.900 1.00 1.00 H +ATOM 196 HD1 HIS A 13 -11.195 2.996 -6.775 1.00 1.00 H +ATOM 197 HD2 HIS A 13 -9.779 6.886 -6.094 1.00 1.00 H +ATOM 198 HE1 HIS A 13 -12.082 4.427 -8.693 1.00 1.00 H +ATOM 199 N GLY A 14 -6.235 3.151 -5.674 1.00 1.00 N +ATOM 200 CA GLY A 14 -5.407 1.981 -5.912 1.00 1.00 C +ATOM 201 C GLY A 14 -5.423 1.590 -7.392 1.00 1.00 C +ATOM 202 O GLY A 14 -6.147 2.187 -8.187 1.00 1.00 O +ATOM 203 H GLY A 14 -5.927 3.986 -6.129 1.00 1.00 H +ATOM 204 HA2 GLY A 14 -4.383 2.185 -5.598 1.00 1.00 H +ATOM 205 HA3 GLY A 14 -5.766 1.148 -5.308 1.00 1.00 H +ATOM 206 N PRO A 15 -4.595 0.564 -7.724 1.00 1.00 N +ATOM 207 CA PRO A 15 -4.508 0.086 -9.094 1.00 1.00 C +ATOM 208 C PRO A 15 -5.739 -0.742 -9.465 1.00 1.00 C +ATOM 209 O PRO A 15 -6.052 -1.727 -8.800 1.00 1.00 O +ATOM 210 CB PRO A 15 -3.215 -0.712 -9.150 1.00 1.00 C +ATOM 211 CG PRO A 15 -2.866 -1.042 -7.707 1.00 1.00 C +ATOM 212 CD PRO A 15 -3.723 -0.166 -6.809 1.00 1.00 C +ATOM 213 HA PRO A 15 -4.494 0.858 -9.730 1.00 1.00 H +ATOM 214 HB2 PRO A 15 -3.343 -1.620 -9.739 1.00 1.00 H +ATOM 215 HB3 PRO A 15 -2.420 -0.136 -9.622 1.00 1.00 H +ATOM 216 HG2 PRO A 15 -3.050 -2.096 -7.503 1.00 1.00 H +ATOM 217 HG3 PRO A 15 -1.807 -0.861 -7.521 1.00 1.00 H +ATOM 218 HD2 PRO A 15 -4.300 -0.765 -6.106 1.00 1.00 H +ATOM 219 HD3 PRO A 15 -3.109 0.515 -6.219 1.00 1.00 H +ATOM 220 N VAL A 16 -6.404 -0.310 -10.527 1.00 1.00 N +ATOM 221 CA VAL A 16 -7.594 -0.999 -10.995 1.00 1.00 C +ATOM 222 C VAL A 16 -7.397 -1.415 -12.455 1.00 1.00 C +ATOM 223 O VAL A 16 -6.661 -0.764 -13.196 1.00 1.00 O +ATOM 224 CB VAL A 16 -8.826 -0.117 -10.786 1.00 1.00 C +ATOM 225 CG1 VAL A 16 -10.054 -0.716 -11.476 1.00 1.00 C +ATOM 226 CG2 VAL A 16 -9.091 0.110 -9.296 1.00 1.00 C +ATOM 227 H VAL A 16 -6.143 0.492 -11.064 1.00 1.00 H +ATOM 228 HA VAL A 16 -7.714 -1.897 -10.388 1.00 1.00 H +ATOM 229 HB VAL A 16 -8.625 0.853 -11.240 1.00 1.00 H +ATOM 230 HG11 VAL A 16 -9.985 -1.805 -11.460 1.00 1.00 H +ATOM 231 HG12 VAL A 16 -10.955 -0.401 -10.951 1.00 1.00 H +ATOM 232 HG13 VAL A 16 -10.094 -0.371 -12.509 1.00 1.00 H +ATOM 233 HG21 VAL A 16 -9.169 -0.853 -8.791 1.00 1.00 H +ATOM 234 HG22 VAL A 16 -8.271 0.682 -8.864 1.00 1.00 H +ATOM 235 HG23 VAL A 16 -10.024 0.660 -9.172 1.00 1.00 H +ATOM 236 N SER A 17 -8.068 -2.496 -12.825 1.00 1.00 N +ATOM 237 CA SER A 17 -7.976 -3.004 -14.183 1.00 1.00 C +ATOM 238 C SER A 17 -8.760 -2.100 -15.134 1.00 1.00 C +ATOM 239 O SER A 17 -9.765 -1.505 -14.746 1.00 1.00 O +ATOM 240 CB SER A 17 -8.494 -4.441 -14.269 1.00 1.00 C +ATOM 241 OG SER A 17 -8.571 -4.902 -15.614 1.00 1.00 O +ATOM 242 H SER A 17 -8.665 -3.019 -12.217 1.00 1.00 H +ATOM 243 HA SER A 17 -6.914 -2.986 -14.426 1.00 1.00 H +ATOM 244 HB2 SER A 17 -7.837 -5.099 -13.698 1.00 1.00 H +ATOM 245 HB3 SER A 17 -9.481 -4.500 -13.808 1.00 1.00 H +ATOM 246 HG SER A 17 -7.813 -5.526 -15.807 1.00 1.00 H +ATOM 247 N ARG A 18 -8.274 -2.025 -16.365 1.00 1.00 N +ATOM 248 CA ARG A 18 -8.917 -1.203 -17.376 1.00 1.00 C +ATOM 249 C ARG A 18 -10.411 -1.523 -17.449 1.00 1.00 C +ATOM 250 O ARG A 18 -11.234 -0.623 -17.610 1.00 1.00 O +ATOM 251 CB ARG A 18 -8.287 -1.429 -18.752 1.00 1.00 C +ATOM 252 CG ARG A 18 -9.199 -2.278 -19.640 1.00 1.00 C +ATOM 253 CD ARG A 18 -8.549 -2.545 -20.999 1.00 1.00 C +ATOM 254 NE ARG A 18 -7.534 -3.615 -20.873 1.00 1.00 N +ATOM 255 CZ ARG A 18 -6.423 -3.688 -21.617 1.00 1.00 C +ATOM 256 NH1 ARG A 18 -6.176 -2.753 -22.546 1.00 1.00 N +ATOM 257 NH2 ARG A 18 -5.558 -4.695 -21.434 1.00 1.00 N +ATOM 258 H ARG A 18 -7.456 -2.512 -16.674 1.00 1.00 H +ATOM 259 HA ARG A 18 -8.750 -0.177 -17.048 1.00 1.00 H +ATOM 260 HB2 ARG A 18 -8.098 -0.469 -19.232 1.00 1.00 H +ATOM 261 HB3 ARG A 18 -7.322 -1.924 -18.638 1.00 1.00 H +ATOM 262 HG2 ARG A 18 -9.416 -3.225 -19.144 1.00 1.00 H +ATOM 263 HG3 ARG A 18 -10.152 -1.768 -19.782 1.00 1.00 H +ATOM 264 HD2 ARG A 18 -9.309 -2.836 -21.724 1.00 1.00 H +ATOM 265 HD3 ARG A 18 -8.084 -1.633 -21.374 1.00 1.00 H +ATOM 266 HE ARG A 18 -7.687 -4.328 -20.189 1.00 1.00 H +ATOM 267 HH11 ARG A 18 -6.822 -2.002 -22.683 1.00 1.00 H +ATOM 268 HH12 ARG A 18 -5.346 -2.808 -23.102 1.00 1.00 H +ATOM 269 HH21 ARG A 18 -5.741 -5.391 -20.742 1.00 1.00 H +ATOM 270 HH22 ARG A 18 -4.728 -4.749 -21.990 1.00 1.00 H +ATOM 271 N ASN A 19 -10.716 -2.806 -17.323 1.00 1.00 N +ATOM 272 CA ASN A 19 -12.097 -3.256 -17.371 1.00 1.00 C +ATOM 273 C ASN A 19 -12.932 -2.433 -16.387 1.00 1.00 C +ATOM 274 O ASN A 19 -13.847 -1.717 -16.790 1.00 1.00 O +ATOM 275 CB ASN A 19 -12.211 -4.728 -16.974 1.00 1.00 C +ATOM 276 CG ASN A 19 -11.934 -5.642 -18.169 1.00 1.00 C +ATOM 277 OD1 ASN A 19 -12.834 -6.109 -18.849 1.00 1.00 O +ATOM 278 ND2 ASN A 19 -10.643 -5.870 -18.387 1.00 1.00 N +ATOM 279 H ASN A 19 -10.040 -3.531 -17.191 1.00 1.00 H +ATOM 280 HA ASN A 19 -12.410 -3.110 -18.406 1.00 1.00 H +ATOM 281 HB2 ASN A 19 -11.506 -4.948 -16.172 1.00 1.00 H +ATOM 282 HB3 ASN A 19 -13.209 -4.926 -16.584 1.00 1.00 H +ATOM 283 HD21 ASN A 19 -9.953 -5.456 -17.792 1.00 1.00 H +ATOM 284 HD22 ASN A 19 -10.360 -6.456 -19.147 1.00 1.00 H +ATOM 285 N ALA A 20 -12.585 -2.563 -15.116 1.00 1.00 N +ATOM 286 CA ALA A 20 -13.290 -1.841 -14.069 1.00 1.00 C +ATOM 287 C ALA A 20 -13.107 -0.337 -14.283 1.00 1.00 C +ATOM 288 O ALA A 20 -14.044 0.439 -14.093 1.00 1.00 O +ATOM 289 CB ALA A 20 -12.786 -2.303 -12.701 1.00 1.00 C +ATOM 290 H ALA A 20 -11.839 -3.147 -14.796 1.00 1.00 H +ATOM 291 HA ALA A 20 -14.349 -2.085 -14.154 1.00 1.00 H +ATOM 292 HB1 ALA A 20 -12.204 -3.218 -12.817 1.00 1.00 H +ATOM 293 HB2 ALA A 20 -12.157 -1.527 -12.264 1.00 1.00 H +ATOM 294 HB3 ALA A 20 -13.636 -2.494 -12.045 1.00 1.00 H +ATOM 295 N ALA A 21 -11.894 0.030 -14.670 1.00 1.00 N +ATOM 296 CA ALA A 21 -11.577 1.427 -14.910 1.00 1.00 C +ATOM 297 C ALA A 21 -12.681 2.058 -15.762 1.00 1.00 C +ATOM 298 O ALA A 21 -13.091 3.191 -15.512 1.00 1.00 O +ATOM 299 CB ALA A 21 -10.199 1.532 -15.569 1.00 1.00 C +ATOM 300 H ALA A 21 -11.139 -0.608 -14.821 1.00 1.00 H +ATOM 301 HA ALA A 21 -11.543 1.930 -13.944 1.00 1.00 H +ATOM 302 HB1 ALA A 21 -9.624 0.632 -15.353 1.00 1.00 H +ATOM 303 HB2 ALA A 21 -10.320 1.636 -16.647 1.00 1.00 H +ATOM 304 HB3 ALA A 21 -9.675 2.403 -15.177 1.00 1.00 H +ATOM 305 N GLU A 22 -13.129 1.297 -16.749 1.00 1.00 N +ATOM 306 CA GLU A 22 -14.178 1.767 -17.640 1.00 1.00 C +ATOM 307 C GLU A 22 -15.525 1.776 -16.915 1.00 1.00 C +ATOM 308 O GLU A 22 -16.358 2.648 -17.157 1.00 1.00 O +ATOM 309 CB GLU A 22 -14.242 0.915 -18.908 1.00 1.00 C +ATOM 310 CG GLU A 22 -13.426 1.547 -20.037 1.00 1.00 C +ATOM 311 CD GLU A 22 -14.228 1.584 -21.339 1.00 1.00 C +ATOM 312 OE1 GLU A 22 -15.117 2.457 -21.435 1.00 1.00 O +ATOM 313 OE2 GLU A 22 -13.932 0.737 -22.211 1.00 1.00 O +ATOM 314 H GLU A 22 -12.790 0.377 -16.945 1.00 1.00 H +ATOM 315 HA GLU A 22 -13.894 2.785 -17.907 1.00 1.00 H +ATOM 316 HB2 GLU A 22 -13.864 -0.086 -18.699 1.00 1.00 H +ATOM 317 HB3 GLU A 22 -15.280 0.804 -19.223 1.00 1.00 H +ATOM 318 HG2 GLU A 22 -13.135 2.561 -19.757 1.00 1.00 H +ATOM 319 HG3 GLU A 22 -12.506 0.982 -20.187 1.00 1.00 H +ATOM 320 N TYR A 23 -15.696 0.797 -16.040 1.00 1.00 N +ATOM 321 CA TYR A 23 -16.928 0.681 -15.279 1.00 1.00 C +ATOM 322 C TYR A 23 -16.980 1.721 -14.157 1.00 1.00 C +ATOM 323 O TYR A 23 -17.834 2.605 -14.165 1.00 1.00 O +ATOM 324 CB TYR A 23 -16.912 -0.718 -14.660 1.00 1.00 C +ATOM 325 CG TYR A 23 -18.175 -1.064 -13.870 1.00 1.00 C +ATOM 326 CD1 TYR A 23 -19.419 -0.869 -14.436 1.00 1.00 C +ATOM 327 CD2 TYR A 23 -18.072 -1.573 -12.590 1.00 1.00 C +ATOM 328 CE1 TYR A 23 -20.608 -1.195 -13.693 1.00 1.00 C +ATOM 329 CE2 TYR A 23 -19.262 -1.898 -11.847 1.00 1.00 C +ATOM 330 CZ TYR A 23 -20.471 -1.693 -12.435 1.00 1.00 C +ATOM 331 OH TYR A 23 -21.594 -2.001 -11.733 1.00 1.00 O +ATOM 332 H TYR A 23 -15.013 0.091 -15.848 1.00 1.00 H +ATOM 333 HA TYR A 23 -17.762 0.851 -15.960 1.00 1.00 H +ATOM 334 HB2 TYR A 23 -16.779 -1.455 -15.453 1.00 1.00 H +ATOM 335 HB3 TYR A 23 -16.048 -0.803 -13.999 1.00 1.00 H +ATOM 336 HD1 TYR A 23 -19.500 -0.469 -15.447 1.00 1.00 H +ATOM 337 HD2 TYR A 23 -17.090 -1.726 -12.143 1.00 1.00 H +ATOM 338 HE1 TYR A 23 -21.596 -1.046 -14.128 1.00 1.00 H +ATOM 339 HE2 TYR A 23 -19.194 -2.300 -10.836 1.00 1.00 H +ATOM 340 HH TYR A 23 -21.907 -2.920 -11.973 1.00 1.00 H +ATOM 341 N LEU A 24 -16.054 1.579 -13.220 1.00 1.00 N +ATOM 342 CA LEU A 24 -15.982 2.495 -12.095 1.00 1.00 C +ATOM 343 C LEU A 24 -15.936 3.932 -12.614 1.00 1.00 C +ATOM 344 O LEU A 24 -16.400 4.855 -11.944 1.00 1.00 O +ATOM 345 CB LEU A 24 -14.809 2.133 -11.181 1.00 1.00 C +ATOM 346 CG LEU A 24 -13.415 2.456 -11.723 1.00 1.00 C +ATOM 347 CD1 LEU A 24 -13.027 3.902 -11.411 1.00 1.00 C +ATOM 348 CD2 LEU A 24 -12.379 1.458 -11.199 1.00 1.00 C +ATOM 349 H LEU A 24 -15.363 0.857 -13.220 1.00 1.00 H +ATOM 350 HA LEU A 24 -16.895 2.367 -11.511 1.00 1.00 H +ATOM 351 HB2 LEU A 24 -14.938 2.653 -10.232 1.00 1.00 H +ATOM 352 HB3 LEU A 24 -14.857 1.065 -10.968 1.00 1.00 H +ATOM 353 HG LEU A 24 -13.437 2.355 -12.808 1.00 1.00 H +ATOM 354 HD11 LEU A 24 -13.252 4.122 -10.367 1.00 1.00 H +ATOM 355 HD12 LEU A 24 -11.960 4.039 -11.590 1.00 1.00 H +ATOM 356 HD13 LEU A 24 -13.593 4.576 -12.054 1.00 1.00 H +ATOM 357 HD21 LEU A 24 -12.890 0.591 -10.782 1.00 1.00 H +ATOM 358 HD22 LEU A 24 -11.734 1.142 -12.017 1.00 1.00 H +ATOM 359 HD23 LEU A 24 -11.778 1.934 -10.424 1.00 1.00 H +ATOM 360 N LEU A 25 -15.374 4.080 -13.805 1.00 1.00 N +ATOM 361 CA LEU A 25 -15.262 5.390 -14.423 1.00 1.00 C +ATOM 362 C LEU A 25 -16.637 6.058 -14.446 1.00 1.00 C +ATOM 363 O LEU A 25 -17.362 5.959 -15.435 1.00 1.00 O +ATOM 364 CB LEU A 25 -14.608 5.278 -15.802 1.00 1.00 C +ATOM 365 CG LEU A 25 -15.010 6.344 -16.823 1.00 1.00 C +ATOM 366 CD1 LEU A 25 -14.925 7.745 -16.216 1.00 1.00 C +ATOM 367 CD2 LEU A 25 -14.177 6.221 -18.101 1.00 1.00 C +ATOM 368 H LEU A 25 -15.000 3.325 -14.343 1.00 1.00 H +ATOM 369 HA LEU A 25 -14.596 5.990 -13.800 1.00 1.00 H +ATOM 370 HB2 LEU A 25 -13.526 5.315 -15.674 1.00 1.00 H +ATOM 371 HB3 LEU A 25 -14.847 4.298 -16.216 1.00 1.00 H +ATOM 372 HG LEU A 25 -16.051 6.175 -17.100 1.00 1.00 H +ATOM 373 HD11 LEU A 25 -14.200 7.745 -15.402 1.00 1.00 H +ATOM 374 HD12 LEU A 25 -14.611 8.455 -16.981 1.00 1.00 H +ATOM 375 HD13 LEU A 25 -15.903 8.035 -15.831 1.00 1.00 H +ATOM 376 HD21 LEU A 25 -13.119 6.315 -17.855 1.00 1.00 H +ATOM 377 HD22 LEU A 25 -14.358 5.248 -18.560 1.00 1.00 H +ATOM 378 HD23 LEU A 25 -14.460 7.010 -18.796 1.00 1.00 H +ATOM 379 N SER A 26 -16.956 6.724 -13.346 1.00 1.00 N +ATOM 380 CA SER A 26 -18.232 7.408 -13.228 1.00 1.00 C +ATOM 381 C SER A 26 -19.285 6.704 -14.088 1.00 1.00 C +ATOM 382 O SER A 26 -19.739 5.613 -13.750 1.00 1.00 O +ATOM 383 CB SER A 26 -18.109 8.877 -13.635 1.00 1.00 C +ATOM 384 OG SER A 26 -17.471 9.659 -12.630 1.00 1.00 O +ATOM 385 H SER A 26 -16.360 6.799 -12.546 1.00 1.00 H +ATOM 386 HA SER A 26 -18.496 7.345 -12.172 1.00 1.00 H +ATOM 387 HB2 SER A 26 -17.542 8.949 -14.564 1.00 1.00 H +ATOM 388 HB3 SER A 26 -19.101 9.282 -13.837 1.00 1.00 H +ATOM 389 HG SER A 26 -18.117 10.325 -12.254 1.00 1.00 H +ATOM 390 N SER A 27 -19.640 7.359 -15.184 1.00 1.00 N +ATOM 391 CA SER A 27 -20.631 6.809 -16.094 1.00 1.00 C +ATOM 392 C SER A 27 -20.925 7.811 -17.213 1.00 1.00 C +ATOM 393 O SER A 27 -22.058 7.909 -17.682 1.00 1.00 O +ATOM 394 CB SER A 27 -21.918 6.447 -15.354 1.00 1.00 C +ATOM 395 OG SER A 27 -21.983 5.058 -15.043 1.00 1.00 O +ATOM 396 H SER A 27 -19.266 8.246 -15.452 1.00 1.00 H +ATOM 397 HA SER A 27 -20.178 5.905 -16.501 1.00 1.00 H +ATOM 398 HB2 SER A 27 -21.984 7.027 -14.435 1.00 1.00 H +ATOM 399 HB3 SER A 27 -22.779 6.720 -15.966 1.00 1.00 H +ATOM 400 HG SER A 27 -22.854 4.846 -14.600 1.00 1.00 H +ATOM 401 N GLY A 28 -19.885 8.530 -17.609 1.00 1.00 N +ATOM 402 CA GLY A 28 -20.017 9.522 -18.663 1.00 1.00 C +ATOM 403 C GLY A 28 -20.095 10.934 -18.081 1.00 1.00 C +ATOM 404 O GLY A 28 -21.168 11.535 -18.044 1.00 1.00 O +ATOM 405 H GLY A 28 -18.966 8.445 -17.223 1.00 1.00 H +ATOM 406 HA2 GLY A 28 -19.169 9.451 -19.343 1.00 1.00 H +ATOM 407 HA3 GLY A 28 -20.912 9.315 -19.250 1.00 1.00 H +ATOM 408 N ILE A 29 -18.945 11.423 -17.642 1.00 1.00 N +ATOM 409 CA ILE A 29 -18.871 12.754 -17.064 1.00 1.00 C +ATOM 410 C ILE A 29 -18.241 13.712 -18.078 1.00 1.00 C +ATOM 411 O ILE A 29 -17.950 13.322 -19.207 1.00 1.00 O +ATOM 412 CB ILE A 29 -18.140 12.716 -15.720 1.00 1.00 C +ATOM 413 CG1 ILE A 29 -17.179 11.526 -15.653 1.00 1.00 C +ATOM 414 CG2 ILE A 29 -19.134 12.714 -14.556 1.00 1.00 C +ATOM 415 CD1 ILE A 29 -16.313 11.591 -14.393 1.00 1.00 C +ATOM 416 H ILE A 29 -18.077 10.929 -17.677 1.00 1.00 H +ATOM 417 HA ILE A 29 -19.892 13.083 -16.867 1.00 1.00 H +ATOM 418 HB ILE A 29 -17.542 13.620 -15.630 1.00 1.00 H +ATOM 419 HG12 ILE A 29 -17.745 10.595 -15.663 1.00 1.00 H +ATOM 420 HG13 ILE A 29 -16.540 11.521 -16.537 1.00 1.00 H +ATOM 421 HG21 ILE A 29 -20.040 13.244 -14.850 1.00 1.00 H +ATOM 422 HG22 ILE A 29 -19.384 11.685 -14.293 1.00 1.00 H +ATOM 423 HG23 ILE A 29 -18.686 13.210 -13.696 1.00 1.00 H +ATOM 424 HD11 ILE A 29 -16.870 12.086 -13.597 1.00 1.00 H +ATOM 425 HD12 ILE A 29 -16.053 10.581 -14.079 1.00 1.00 H +ATOM 426 HD13 ILE A 29 -15.404 12.153 -14.606 1.00 1.00 H +ATOM 427 N ASN A 30 -18.049 14.947 -17.638 1.00 1.00 N +ATOM 428 CA ASN A 30 -17.459 15.963 -18.493 1.00 1.00 C +ATOM 429 C ASN A 30 -15.965 15.678 -18.659 1.00 1.00 C +ATOM 430 O ASN A 30 -15.274 16.379 -19.397 1.00 1.00 O +ATOM 431 CB ASN A 30 -17.609 17.354 -17.878 1.00 1.00 C +ATOM 432 CG ASN A 30 -19.082 17.695 -17.641 1.00 1.00 C +ATOM 433 OD1 ASN A 30 -19.563 17.743 -16.520 1.00 1.00 O +ATOM 434 ND2 ASN A 30 -19.769 17.925 -18.756 1.00 1.00 N +ATOM 435 H ASN A 30 -18.289 15.256 -16.718 1.00 1.00 H +ATOM 436 HA ASN A 30 -18.003 15.896 -19.435 1.00 1.00 H +ATOM 437 HB2 ASN A 30 -17.066 17.401 -16.933 1.00 1.00 H +ATOM 438 HB3 ASN A 30 -17.162 18.099 -18.537 1.00 1.00 H +ATOM 439 HD21 ASN A 30 -19.314 17.869 -19.645 1.00 1.00 H +ATOM 440 HD22 ASN A 30 -20.741 18.156 -18.706 1.00 1.00 H +ATOM 441 N GLY A 31 -15.510 14.648 -17.961 1.00 1.00 N +ATOM 442 CA GLY A 31 -14.110 14.262 -18.022 1.00 1.00 C +ATOM 443 C GLY A 31 -13.699 13.492 -16.765 1.00 1.00 C +ATOM 444 O GLY A 31 -13.969 13.931 -15.648 1.00 1.00 O +ATOM 445 H GLY A 31 -16.079 14.083 -17.363 1.00 1.00 H +ATOM 446 HA2 GLY A 31 -13.937 13.645 -18.904 1.00 1.00 H +ATOM 447 HA3 GLY A 31 -13.488 15.151 -18.129 1.00 1.00 H +ATOM 448 N SER A 32 -13.052 12.358 -16.990 1.00 1.00 N +ATOM 449 CA SER A 32 -12.600 11.523 -15.890 1.00 1.00 C +ATOM 450 C SER A 32 -11.255 10.881 -16.238 1.00 1.00 C +ATOM 451 O SER A 32 -11.060 10.406 -17.355 1.00 1.00 O +ATOM 452 CB SER A 32 -13.633 10.444 -15.558 1.00 1.00 C +ATOM 453 OG SER A 32 -13.869 10.345 -14.156 1.00 1.00 O +ATOM 454 H SER A 32 -12.836 12.008 -17.902 1.00 1.00 H +ATOM 455 HA SER A 32 -12.494 12.198 -15.041 1.00 1.00 H +ATOM 456 HB2 SER A 32 -14.568 10.668 -16.069 1.00 1.00 H +ATOM 457 HB3 SER A 32 -13.285 9.481 -15.935 1.00 1.00 H +ATOM 458 HG SER A 32 -13.267 9.654 -13.755 1.00 1.00 H +ATOM 459 N PHE A 33 -10.361 10.890 -15.260 1.00 1.00 N +ATOM 460 CA PHE A 33 -9.039 10.316 -15.448 1.00 1.00 C +ATOM 461 C PHE A 33 -8.647 9.444 -14.255 1.00 1.00 C +ATOM 462 O PHE A 33 -8.346 9.957 -13.177 1.00 1.00 O +ATOM 463 CB PHE A 33 -8.056 11.482 -15.559 1.00 1.00 C +ATOM 464 CG PHE A 33 -8.596 12.680 -16.343 1.00 1.00 C +ATOM 465 CD1 PHE A 33 -9.848 13.148 -16.091 1.00 1.00 C +ATOM 466 CD2 PHE A 33 -7.825 13.276 -17.291 1.00 1.00 C +ATOM 467 CE1 PHE A 33 -10.350 14.261 -16.819 1.00 1.00 C +ATOM 468 CE2 PHE A 33 -8.326 14.387 -18.019 1.00 1.00 C +ATOM 469 CZ PHE A 33 -9.578 14.856 -17.767 1.00 1.00 C +ATOM 470 H PHE A 33 -10.527 11.280 -14.353 1.00 1.00 H +ATOM 471 HA PHE A 33 -9.080 9.702 -16.347 1.00 1.00 H +ATOM 472 HB2 PHE A 33 -7.784 11.811 -14.555 1.00 1.00 H +ATOM 473 HB3 PHE A 33 -7.142 11.129 -16.038 1.00 1.00 H +ATOM 474 HD1 PHE A 33 -10.466 12.671 -15.331 1.00 1.00 H +ATOM 475 HD2 PHE A 33 -6.823 12.900 -17.493 1.00 1.00 H +ATOM 476 HE1 PHE A 33 -11.353 14.636 -16.617 1.00 1.00 H +ATOM 477 HE2 PHE A 33 -7.708 14.865 -18.780 1.00 1.00 H +ATOM 478 HZ PHE A 33 -9.963 15.709 -18.326 1.00 1.00 H +ATOM 479 N LEU A 34 -8.660 8.139 -14.486 1.00 1.00 N +ATOM 480 CA LEU A 34 -8.308 7.191 -13.443 1.00 1.00 C +ATOM 481 C LEU A 34 -6.991 6.503 -13.809 1.00 1.00 C +ATOM 482 O LEU A 34 -6.858 5.946 -14.898 1.00 1.00 O +ATOM 483 CB LEU A 34 -9.461 6.217 -13.192 1.00 1.00 C +ATOM 484 CG LEU A 34 -9.456 4.939 -14.036 1.00 1.00 C +ATOM 485 CD1 LEU A 34 -9.122 3.717 -13.177 1.00 1.00 C +ATOM 486 CD2 LEU A 34 -10.780 4.770 -14.784 1.00 1.00 C +ATOM 487 H LEU A 34 -8.905 7.729 -15.365 1.00 1.00 H +ATOM 488 HA LEU A 34 -8.158 7.757 -12.524 1.00 1.00 H +ATOM 489 HB2 LEU A 34 -9.449 5.934 -12.140 1.00 1.00 H +ATOM 490 HB3 LEU A 34 -10.399 6.742 -13.372 1.00 1.00 H +ATOM 491 HG LEU A 34 -8.672 5.029 -14.787 1.00 1.00 H +ATOM 492 HD11 LEU A 34 -8.927 4.036 -12.153 1.00 1.00 H +ATOM 493 HD12 LEU A 34 -9.963 3.025 -13.189 1.00 1.00 H +ATOM 494 HD13 LEU A 34 -8.238 3.222 -13.580 1.00 1.00 H +ATOM 495 HD21 LEU A 34 -11.519 5.459 -14.374 1.00 1.00 H +ATOM 496 HD22 LEU A 34 -10.629 4.985 -15.842 1.00 1.00 H +ATOM 497 HD23 LEU A 34 -11.134 3.747 -14.667 1.00 1.00 H +ATOM 498 N VAL A 35 -6.049 6.563 -12.877 1.00 1.00 N +ATOM 499 CA VAL A 35 -4.748 5.955 -13.088 1.00 1.00 C +ATOM 500 C VAL A 35 -4.899 4.431 -13.098 1.00 1.00 C +ATOM 501 O VAL A 35 -5.735 3.882 -12.383 1.00 1.00 O +ATOM 502 CB VAL A 35 -3.760 6.450 -12.029 1.00 1.00 C +ATOM 503 CG1 VAL A 35 -3.839 5.596 -10.763 1.00 1.00 C +ATOM 504 CG2 VAL A 35 -2.335 6.481 -12.582 1.00 1.00 C +ATOM 505 H VAL A 35 -6.166 7.018 -11.994 1.00 1.00 H +ATOM 506 HA VAL A 35 -4.388 6.277 -14.064 1.00 1.00 H +ATOM 507 HB VAL A 35 -4.039 7.470 -11.764 1.00 1.00 H +ATOM 508 HG11 VAL A 35 -4.832 5.155 -10.684 1.00 1.00 H +ATOM 509 HG12 VAL A 35 -3.092 4.804 -10.813 1.00 1.00 H +ATOM 510 HG13 VAL A 35 -3.648 6.221 -9.891 1.00 1.00 H +ATOM 511 HG21 VAL A 35 -2.366 6.425 -13.671 1.00 1.00 H +ATOM 512 HG22 VAL A 35 -1.847 7.408 -12.281 1.00 1.00 H +ATOM 513 HG23 VAL A 35 -1.774 5.633 -12.191 1.00 1.00 H +ATOM 514 N ARG A 36 -4.074 3.793 -13.915 1.00 1.00 N +ATOM 515 CA ARG A 36 -4.105 2.343 -14.027 1.00 1.00 C +ATOM 516 C ARG A 36 -2.708 1.764 -13.794 1.00 1.00 C +ATOM 517 O ARG A 36 -1.726 2.502 -13.747 1.00 1.00 O +ATOM 518 CB ARG A 36 -4.607 1.909 -15.405 1.00 1.00 C +ATOM 519 CG ARG A 36 -5.414 0.612 -15.310 1.00 1.00 C +ATOM 520 CD ARG A 36 -5.051 -0.343 -16.449 1.00 1.00 C +ATOM 521 NE ARG A 36 -5.233 -1.745 -16.010 1.00 1.00 N +ATOM 522 CZ ARG A 36 -5.153 -2.804 -16.827 1.00 1.00 C +ATOM 523 NH1 ARG A 36 -4.894 -2.628 -18.129 1.00 1.00 N +ATOM 524 NH2 ARG A 36 -5.334 -4.041 -16.342 1.00 1.00 N +ATOM 525 H ARG A 36 -3.395 4.246 -14.492 1.00 1.00 H +ATOM 526 HA ARG A 36 -4.798 2.019 -13.252 1.00 1.00 H +ATOM 527 HB2 ARG A 36 -5.227 2.696 -15.835 1.00 1.00 H +ATOM 528 HB3 ARG A 36 -3.761 1.766 -16.076 1.00 1.00 H +ATOM 529 HG2 ARG A 36 -5.222 0.131 -14.351 1.00 1.00 H +ATOM 530 HG3 ARG A 36 -6.479 0.838 -15.346 1.00 1.00 H +ATOM 531 HD2 ARG A 36 -5.677 -0.141 -17.317 1.00 1.00 H +ATOM 532 HD3 ARG A 36 -4.018 -0.182 -16.755 1.00 1.00 H +ATOM 533 HE ARG A 36 -5.428 -1.913 -15.043 1.00 1.00 H +ATOM 534 HH11 ARG A 36 -4.761 -1.706 -18.492 1.00 1.00 H +ATOM 535 HH12 ARG A 36 -4.836 -3.418 -18.739 1.00 1.00 H +ATOM 536 HH21 ARG A 36 -5.526 -4.173 -15.369 1.00 1.00 H +ATOM 537 HH22 ARG A 36 -5.274 -4.832 -16.952 1.00 1.00 H +ATOM 538 N GLU A 37 -2.665 0.447 -13.656 1.00 1.00 N +ATOM 539 CA GLU A 37 -1.405 -0.241 -13.429 1.00 1.00 C +ATOM 540 C GLU A 37 -1.172 -1.293 -14.517 1.00 1.00 C +ATOM 541 O GLU A 37 -1.945 -2.241 -14.643 1.00 1.00 O +ATOM 542 CB GLU A 37 -1.369 -0.873 -12.037 1.00 1.00 C +ATOM 543 CG GLU A 37 -0.211 -0.309 -11.209 1.00 1.00 C +ATOM 544 CD GLU A 37 0.656 -1.435 -10.641 1.00 1.00 C +ATOM 545 OE1 GLU A 37 0.763 -2.472 -11.330 1.00 1.00 O +ATOM 546 OE2 GLU A 37 1.193 -1.232 -9.531 1.00 1.00 O +ATOM 547 H GLU A 37 -3.469 -0.146 -13.696 1.00 1.00 H +ATOM 548 HA GLU A 37 -0.638 0.532 -13.492 1.00 1.00 H +ATOM 549 HB2 GLU A 37 -2.311 -0.686 -11.523 1.00 1.00 H +ATOM 550 HB3 GLU A 37 -1.263 -1.954 -12.127 1.00 1.00 H +ATOM 551 HG2 GLU A 37 0.400 0.346 -11.831 1.00 1.00 H +ATOM 552 HG3 GLU A 37 -0.604 0.299 -10.395 1.00 1.00 H +ATOM 553 N SER A 38 -0.103 -1.090 -15.271 1.00 1.00 N +ATOM 554 CA SER A 38 0.241 -2.010 -16.342 1.00 1.00 C +ATOM 555 C SER A 38 0.785 -3.315 -15.757 1.00 1.00 C +ATOM 556 O SER A 38 1.072 -3.392 -14.563 1.00 1.00 O +ATOM 557 CB SER A 38 1.265 -1.388 -17.295 1.00 1.00 C +ATOM 558 OG SER A 38 1.191 -1.952 -18.600 1.00 1.00 O +ATOM 559 H SER A 38 0.521 -0.317 -15.162 1.00 1.00 H +ATOM 560 HA SER A 38 -0.690 -2.190 -16.879 1.00 1.00 H +ATOM 561 HB2 SER A 38 1.097 -0.312 -17.355 1.00 1.00 H +ATOM 562 HB3 SER A 38 2.267 -1.533 -16.894 1.00 1.00 H +ATOM 563 HG SER A 38 2.107 -2.190 -18.924 1.00 1.00 H +ATOM 564 N GLU A 39 0.912 -4.308 -16.625 1.00 1.00 N +ATOM 565 CA GLU A 39 1.415 -5.605 -16.210 1.00 1.00 C +ATOM 566 C GLU A 39 2.588 -6.029 -17.098 1.00 1.00 C +ATOM 567 O GLU A 39 3.552 -6.624 -16.618 1.00 1.00 O +ATOM 568 CB GLU A 39 0.305 -6.658 -16.229 1.00 1.00 C +ATOM 569 CG GLU A 39 -0.607 -6.514 -15.009 1.00 1.00 C +ATOM 570 CD GLU A 39 -2.012 -6.074 -15.424 1.00 1.00 C +ATOM 571 OE1 GLU A 39 -2.418 -6.455 -16.543 1.00 1.00 O +ATOM 572 OE2 GLU A 39 -2.649 -5.366 -14.614 1.00 1.00 O +ATOM 573 H GLU A 39 0.676 -4.237 -17.594 1.00 1.00 H +ATOM 574 HA GLU A 39 1.760 -5.467 -15.184 1.00 1.00 H +ATOM 575 HB2 GLU A 39 -0.282 -6.554 -17.141 1.00 1.00 H +ATOM 576 HB3 GLU A 39 0.745 -7.656 -16.243 1.00 1.00 H +ATOM 577 HG2 GLU A 39 -0.661 -7.464 -14.477 1.00 1.00 H +ATOM 578 HG3 GLU A 39 -0.183 -5.785 -14.317 1.00 1.00 H +ATOM 579 N SER A 40 2.467 -5.705 -18.376 1.00 1.00 N +ATOM 580 CA SER A 40 3.504 -6.044 -19.336 1.00 1.00 C +ATOM 581 C SER A 40 4.882 -5.928 -18.681 1.00 1.00 C +ATOM 582 O SER A 40 5.778 -6.719 -18.968 1.00 1.00 O +ATOM 583 CB SER A 40 3.427 -5.145 -20.572 1.00 1.00 C +ATOM 584 OG SER A 40 3.519 -5.891 -21.782 1.00 1.00 O +ATOM 585 H SER A 40 1.680 -5.220 -18.759 1.00 1.00 H +ATOM 586 HA SER A 40 3.303 -7.075 -19.625 1.00 1.00 H +ATOM 587 HB2 SER A 40 2.488 -4.590 -20.558 1.00 1.00 H +ATOM 588 HB3 SER A 40 4.231 -4.410 -20.536 1.00 1.00 H +ATOM 589 HG SER A 40 3.782 -6.835 -21.582 1.00 1.00 H +ATOM 590 N SER A 41 5.006 -4.936 -17.811 1.00 1.00 N +ATOM 591 CA SER A 41 6.260 -4.707 -17.113 1.00 1.00 C +ATOM 592 C SER A 41 6.091 -5.012 -15.624 1.00 1.00 C +ATOM 593 O SER A 41 5.052 -4.712 -15.037 1.00 1.00 O +ATOM 594 CB SER A 41 6.744 -3.269 -17.309 1.00 1.00 C +ATOM 595 OG SER A 41 7.947 -3.210 -18.071 1.00 1.00 O +ATOM 596 H SER A 41 4.272 -4.296 -17.583 1.00 1.00 H +ATOM 597 HA SER A 41 6.973 -5.394 -17.567 1.00 1.00 H +ATOM 598 HB2 SER A 41 5.969 -2.690 -17.810 1.00 1.00 H +ATOM 599 HB3 SER A 41 6.908 -2.806 -16.335 1.00 1.00 H +ATOM 600 HG SER A 41 7.825 -3.689 -18.939 1.00 1.00 H +ATOM 601 N PRO A 42 7.158 -5.621 -15.038 1.00 1.00 N +ATOM 602 CA PRO A 42 7.139 -5.969 -13.627 1.00 1.00 C +ATOM 603 C PRO A 42 7.322 -4.728 -12.752 1.00 1.00 C +ATOM 604 O PRO A 42 8.263 -4.653 -11.965 1.00 1.00 O +ATOM 605 CB PRO A 42 8.255 -6.985 -13.458 1.00 1.00 C +ATOM 606 CG PRO A 42 9.157 -6.821 -14.672 1.00 1.00 C +ATOM 607 CD PRO A 42 8.405 -5.990 -15.699 1.00 1.00 C +ATOM 608 HA PRO A 42 6.249 -6.351 -13.377 1.00 1.00 H +ATOM 609 HB2 PRO A 42 8.809 -6.808 -12.535 1.00 1.00 H +ATOM 610 HB3 PRO A 42 7.858 -7.997 -13.402 1.00 1.00 H +ATOM 611 HG2 PRO A 42 10.089 -6.331 -14.392 1.00 1.00 H +ATOM 612 HG3 PRO A 42 9.420 -7.794 -15.087 1.00 1.00 H +ATOM 613 HD2 PRO A 42 8.977 -5.108 -15.989 1.00 1.00 H +ATOM 614 HD3 PRO A 42 8.217 -6.560 -16.608 1.00 1.00 H +ATOM 615 N GLY A 43 6.406 -3.784 -12.920 1.00 1.00 N +ATOM 616 CA GLY A 43 6.456 -2.549 -12.156 1.00 1.00 C +ATOM 617 C GLY A 43 6.229 -1.336 -13.058 1.00 1.00 C +ATOM 618 O GLY A 43 7.075 -0.446 -13.132 1.00 1.00 O +ATOM 619 H GLY A 43 5.644 -3.853 -13.562 1.00 1.00 H +ATOM 620 HA2 GLY A 43 5.698 -2.572 -11.373 1.00 1.00 H +ATOM 621 HA3 GLY A 43 7.422 -2.463 -11.659 1.00 1.00 H +ATOM 622 N GLN A 44 5.083 -1.339 -13.723 1.00 1.00 N +ATOM 623 CA GLN A 44 4.735 -0.249 -14.620 1.00 1.00 C +ATOM 624 C GLN A 44 3.297 0.210 -14.362 1.00 1.00 C +ATOM 625 O GLN A 44 2.473 -0.562 -13.871 1.00 1.00 O +ATOM 626 CB GLN A 44 4.927 -0.659 -16.082 1.00 1.00 C +ATOM 627 CG GLN A 44 5.921 0.269 -16.783 1.00 1.00 C +ATOM 628 CD GLN A 44 5.236 1.066 -17.896 1.00 1.00 C +ATOM 629 OE1 GLN A 44 4.088 1.465 -17.791 1.00 1.00 O +ATOM 630 NE2 GLN A 44 6.003 1.275 -18.961 1.00 1.00 N +ATOM 631 H GLN A 44 4.400 -2.068 -13.659 1.00 1.00 H +ATOM 632 HA GLN A 44 5.428 0.556 -14.379 1.00 1.00 H +ATOM 633 HB2 GLN A 44 5.284 -1.687 -16.131 1.00 1.00 H +ATOM 634 HB3 GLN A 44 3.968 -0.629 -16.600 1.00 1.00 H +ATOM 635 HG2 GLN A 44 6.360 0.953 -16.058 1.00 1.00 H +ATOM 636 HG3 GLN A 44 6.738 -0.319 -17.202 1.00 1.00 H +ATOM 637 HE21 GLN A 44 6.936 0.920 -18.982 1.00 1.00 H +ATOM 638 HE22 GLN A 44 5.644 1.787 -19.742 1.00 1.00 H +ATOM 639 N ARG A 45 3.039 1.462 -14.708 1.00 1.00 N +ATOM 640 CA ARG A 45 1.717 2.033 -14.520 1.00 1.00 C +ATOM 641 C ARG A 45 1.152 2.514 -15.859 1.00 1.00 C +ATOM 642 O ARG A 45 1.876 2.589 -16.851 1.00 1.00 O +ATOM 643 CB ARG A 45 1.755 3.206 -13.539 1.00 1.00 C +ATOM 644 CG ARG A 45 1.264 2.780 -12.154 1.00 1.00 C +ATOM 645 CD ARG A 45 2.279 1.860 -11.471 1.00 1.00 C +ATOM 646 NE ARG A 45 1.829 1.542 -10.098 1.00 1.00 N +ATOM 647 CZ ARG A 45 1.791 2.430 -9.094 1.00 1.00 C +ATOM 648 NH1 ARG A 45 2.176 3.696 -9.306 1.00 1.00 N +ATOM 649 NH2 ARG A 45 1.367 2.052 -7.880 1.00 1.00 N +ATOM 650 H ARG A 45 3.714 2.082 -15.107 1.00 1.00 H +ATOM 651 HA ARG A 45 1.117 1.218 -14.113 1.00 1.00 H +ATOM 652 HB2 ARG A 45 2.774 3.590 -13.466 1.00 1.00 H +ATOM 653 HB3 ARG A 45 1.136 4.020 -13.915 1.00 1.00 H +ATOM 654 HG2 ARG A 45 1.094 3.663 -11.538 1.00 1.00 H +ATOM 655 HG3 ARG A 45 0.307 2.266 -12.247 1.00 1.00 H +ATOM 656 HD2 ARG A 45 2.394 0.942 -12.047 1.00 1.00 H +ATOM 657 HD3 ARG A 45 3.256 2.343 -11.439 1.00 1.00 H +ATOM 658 HE ARG A 45 1.534 0.606 -9.906 1.00 1.00 H +ATOM 659 HH11 ARG A 45 2.492 3.978 -10.212 1.00 1.00 H +ATOM 660 HH12 ARG A 45 2.149 4.358 -8.558 1.00 1.00 H +ATOM 661 HH21 ARG A 45 1.080 1.107 -7.723 1.00 1.00 H +ATOM 662 HH22 ARG A 45 1.340 2.715 -7.131 1.00 1.00 H +ATOM 663 N SER A 46 -0.135 2.830 -15.843 1.00 1.00 N +ATOM 664 CA SER A 46 -0.804 3.303 -17.042 1.00 1.00 C +ATOM 665 C SER A 46 -1.674 4.518 -16.712 1.00 1.00 C +ATOM 666 O SER A 46 -1.709 4.968 -15.569 1.00 1.00 O +ATOM 667 CB SER A 46 -1.654 2.196 -17.671 1.00 1.00 C +ATOM 668 OG SER A 46 -1.831 1.093 -16.788 1.00 1.00 O +ATOM 669 H SER A 46 -0.715 2.768 -15.031 1.00 1.00 H +ATOM 670 HA SER A 46 -0.005 3.580 -17.730 1.00 1.00 H +ATOM 671 HB2 SER A 46 -2.627 2.600 -17.948 1.00 1.00 H +ATOM 672 HB3 SER A 46 -1.178 1.852 -18.590 1.00 1.00 H +ATOM 673 HG SER A 46 -1.581 1.357 -15.856 1.00 1.00 H +ATOM 674 N ILE A 47 -2.354 5.014 -17.736 1.00 1.00 N +ATOM 675 CA ILE A 47 -3.221 6.168 -17.569 1.00 1.00 C +ATOM 676 C ILE A 47 -4.569 5.888 -18.235 1.00 1.00 C +ATOM 677 O ILE A 47 -4.618 5.368 -19.349 1.00 1.00 O +ATOM 678 CB ILE A 47 -2.532 7.434 -18.082 1.00 1.00 C +ATOM 679 CG1 ILE A 47 -2.619 8.562 -17.050 1.00 1.00 C +ATOM 680 CG2 ILE A 47 -3.100 7.855 -19.439 1.00 1.00 C +ATOM 681 CD1 ILE A 47 -1.222 9.018 -16.620 1.00 1.00 C +ATOM 682 H ILE A 47 -2.319 4.642 -18.663 1.00 1.00 H +ATOM 683 HA ILE A 47 -3.386 6.301 -16.499 1.00 1.00 H +ATOM 684 HB ILE A 47 -1.476 7.212 -18.229 1.00 1.00 H +ATOM 685 HG12 ILE A 47 -3.167 9.403 -17.471 1.00 1.00 H +ATOM 686 HG13 ILE A 47 -3.178 8.220 -16.179 1.00 1.00 H +ATOM 687 HG21 ILE A 47 -4.181 7.723 -19.438 1.00 1.00 H +ATOM 688 HG22 ILE A 47 -2.861 8.902 -19.623 1.00 1.00 H +ATOM 689 HG23 ILE A 47 -2.659 7.238 -20.223 1.00 1.00 H +ATOM 690 HD11 ILE A 47 -0.495 8.728 -17.377 1.00 1.00 H +ATOM 691 HD12 ILE A 47 -1.215 10.103 -16.506 1.00 1.00 H +ATOM 692 HD13 ILE A 47 -0.965 8.550 -15.669 1.00 1.00 H +ATOM 693 N SER A 48 -5.630 6.245 -17.526 1.00 1.00 N +ATOM 694 CA SER A 48 -6.975 6.039 -18.035 1.00 1.00 C +ATOM 695 C SER A 48 -7.753 7.356 -18.005 1.00 1.00 C +ATOM 696 O SER A 48 -8.246 7.766 -16.956 1.00 1.00 O +ATOM 697 CB SER A 48 -7.712 4.969 -17.226 1.00 1.00 C +ATOM 698 OG SER A 48 -8.253 3.948 -18.061 1.00 1.00 O +ATOM 699 H SER A 48 -5.581 6.668 -16.621 1.00 1.00 H +ATOM 700 HA SER A 48 -6.845 5.694 -19.060 1.00 1.00 H +ATOM 701 HB2 SER A 48 -7.025 4.523 -16.506 1.00 1.00 H +ATOM 702 HB3 SER A 48 -8.514 5.434 -16.655 1.00 1.00 H +ATOM 703 HG SER A 48 -8.860 4.352 -18.746 1.00 1.00 H +ATOM 704 N LEU A 49 -7.840 7.982 -19.169 1.00 1.00 N +ATOM 705 CA LEU A 49 -8.551 9.243 -19.291 1.00 1.00 C +ATOM 706 C LEU A 49 -9.935 8.989 -19.886 1.00 1.00 C +ATOM 707 O LEU A 49 -10.097 8.121 -20.743 1.00 1.00 O +ATOM 708 CB LEU A 49 -7.716 10.253 -20.083 1.00 1.00 C +ATOM 709 CG LEU A 49 -6.215 9.969 -20.161 1.00 1.00 C +ATOM 710 CD1 LEU A 49 -5.457 11.177 -20.713 1.00 1.00 C +ATOM 711 CD2 LEU A 49 -5.671 9.522 -18.803 1.00 1.00 C +ATOM 712 H LEU A 49 -7.436 7.641 -20.019 1.00 1.00 H +ATOM 713 HA LEU A 49 -8.673 9.646 -18.286 1.00 1.00 H +ATOM 714 HB2 LEU A 49 -8.111 10.302 -21.097 1.00 1.00 H +ATOM 715 HB3 LEU A 49 -7.858 11.239 -19.638 1.00 1.00 H +ATOM 716 HG LEU A 49 -6.059 9.146 -20.858 1.00 1.00 H +ATOM 717 HD11 LEU A 49 -5.977 12.093 -20.431 1.00 1.00 H +ATOM 718 HD12 LEU A 49 -4.447 11.192 -20.304 1.00 1.00 H +ATOM 719 HD13 LEU A 49 -5.406 11.110 -21.800 1.00 1.00 H +ATOM 720 HD21 LEU A 49 -6.236 10.005 -18.008 1.00 1.00 H +ATOM 721 HD22 LEU A 49 -5.766 8.439 -18.713 1.00 1.00 H +ATOM 722 HD23 LEU A 49 -4.619 9.801 -18.724 1.00 1.00 H +ATOM 723 N ARG A 50 -10.900 9.761 -19.409 1.00 1.00 N +ATOM 724 CA ARG A 50 -12.268 9.630 -19.883 1.00 1.00 C +ATOM 725 C ARG A 50 -12.673 10.868 -20.684 1.00 1.00 C +ATOM 726 O ARG A 50 -12.437 11.996 -20.253 1.00 1.00 O +ATOM 727 CB ARG A 50 -13.241 9.445 -18.716 1.00 1.00 C +ATOM 728 CG ARG A 50 -14.672 9.778 -19.139 1.00 1.00 C +ATOM 729 CD ARG A 50 -15.168 8.804 -20.209 1.00 1.00 C +ATOM 730 NE ARG A 50 -16.303 8.010 -19.686 1.00 1.00 N +ATOM 731 CZ ARG A 50 -17.033 7.164 -20.425 1.00 1.00 C +ATOM 732 NH1 ARG A 50 -16.752 6.998 -21.726 1.00 1.00 N +ATOM 733 NH2 ARG A 50 -18.044 6.486 -19.867 1.00 1.00 N +ATOM 734 H ARG A 50 -10.761 10.465 -18.712 1.00 1.00 H +ATOM 735 HA ARG A 50 -12.260 8.740 -20.512 1.00 1.00 H +ATOM 736 HB2 ARG A 50 -13.193 8.418 -18.356 1.00 1.00 H +ATOM 737 HB3 ARG A 50 -12.944 10.087 -17.886 1.00 1.00 H +ATOM 738 HG2 ARG A 50 -15.331 9.735 -18.271 1.00 1.00 H +ATOM 739 HG3 ARG A 50 -14.716 10.797 -19.521 1.00 1.00 H +ATOM 740 HD2 ARG A 50 -15.479 9.354 -21.098 1.00 1.00 H +ATOM 741 HD3 ARG A 50 -14.358 8.140 -20.513 1.00 1.00 H +ATOM 742 HE ARG A 50 -16.539 8.111 -18.720 1.00 1.00 H +ATOM 743 HH11 ARG A 50 -15.997 7.505 -22.144 1.00 1.00 H +ATOM 744 HH12 ARG A 50 -17.297 6.367 -22.277 1.00 1.00 H +ATOM 745 HH21 ARG A 50 -18.253 6.611 -18.896 1.00 1.00 H +ATOM 746 HH22 ARG A 50 -18.588 5.855 -20.419 1.00 1.00 H +ATOM 747 N TYR A 51 -13.275 10.617 -21.838 1.00 1.00 N +ATOM 748 CA TYR A 51 -13.715 11.697 -22.704 1.00 1.00 C +ATOM 749 C TYR A 51 -15.242 11.801 -22.719 1.00 1.00 C +ATOM 750 O TYR A 51 -15.894 11.565 -21.704 1.00 1.00 O +ATOM 751 CB TYR A 51 -13.226 11.338 -24.107 1.00 1.00 C +ATOM 752 CG TYR A 51 -12.342 12.409 -24.751 1.00 1.00 C +ATOM 753 CD1 TYR A 51 -12.908 13.572 -25.233 1.00 1.00 C +ATOM 754 CD2 TYR A 51 -10.980 12.211 -24.850 1.00 1.00 C +ATOM 755 CE1 TYR A 51 -12.077 14.579 -25.839 1.00 1.00 C +ATOM 756 CE2 TYR A 51 -10.148 13.220 -25.457 1.00 1.00 C +ATOM 757 CZ TYR A 51 -10.737 14.353 -25.921 1.00 1.00 C +ATOM 758 OH TYR A 51 -9.952 15.305 -26.493 1.00 1.00 O +ATOM 759 H TYR A 51 -13.464 9.697 -22.181 1.00 1.00 H +ATOM 760 HA TYR A 51 -13.299 12.628 -22.317 1.00 1.00 H +ATOM 761 HB2 TYR A 51 -12.668 10.402 -24.059 1.00 1.00 H +ATOM 762 HB3 TYR A 51 -14.089 11.161 -24.748 1.00 1.00 H +ATOM 763 HD1 TYR A 51 -13.984 13.728 -25.155 1.00 1.00 H +ATOM 764 HD2 TYR A 51 -10.534 11.293 -24.470 1.00 1.00 H +ATOM 765 HE1 TYR A 51 -12.509 15.502 -26.224 1.00 1.00 H +ATOM 766 HE2 TYR A 51 -9.071 13.076 -25.540 1.00 1.00 H +ATOM 767 HH TYR A 51 -10.457 16.165 -26.567 1.00 1.00 H +ATOM 768 N GLU A 52 -15.767 12.154 -23.883 1.00 1.00 N +ATOM 769 CA GLU A 52 -17.204 12.291 -24.046 1.00 1.00 C +ATOM 770 C GLU A 52 -17.901 10.962 -23.747 1.00 1.00 C +ATOM 771 O GLU A 52 -18.431 10.766 -22.654 1.00 1.00 O +ATOM 772 CB GLU A 52 -17.554 12.790 -25.449 1.00 1.00 C +ATOM 773 CG GLU A 52 -16.581 12.228 -26.488 1.00 1.00 C +ATOM 774 CD GLU A 52 -17.324 11.794 -27.753 1.00 1.00 C +ATOM 775 OE1 GLU A 52 -18.242 12.539 -28.157 1.00 1.00 O +ATOM 776 OE2 GLU A 52 -16.953 10.726 -28.289 1.00 1.00 O +ATOM 777 H GLU A 52 -15.229 12.344 -24.704 1.00 1.00 H +ATOM 778 HA GLU A 52 -17.508 13.041 -23.314 1.00 1.00 H +ATOM 779 HB2 GLU A 52 -18.572 12.495 -25.700 1.00 1.00 H +ATOM 780 HB3 GLU A 52 -17.523 13.880 -25.469 1.00 1.00 H +ATOM 781 HG2 GLU A 52 -15.836 12.983 -26.740 1.00 1.00 H +ATOM 782 HG3 GLU A 52 -16.044 11.379 -26.066 1.00 1.00 H +ATOM 783 N GLY A 53 -17.878 10.083 -24.738 1.00 1.00 N +ATOM 784 CA GLY A 53 -18.501 8.778 -24.595 1.00 1.00 C +ATOM 785 C GLY A 53 -17.514 7.660 -24.932 1.00 1.00 C +ATOM 786 O GLY A 53 -17.886 6.662 -25.550 1.00 1.00 O +ATOM 787 H GLY A 53 -17.445 10.250 -25.623 1.00 1.00 H +ATOM 788 HA2 GLY A 53 -18.863 8.654 -23.575 1.00 1.00 H +ATOM 789 HA3 GLY A 53 -19.369 8.712 -25.252 1.00 1.00 H +ATOM 790 N ARG A 54 -16.274 7.862 -24.512 1.00 1.00 N +ATOM 791 CA ARG A 54 -15.230 6.882 -24.762 1.00 1.00 C +ATOM 792 C ARG A 54 -14.164 6.951 -23.666 1.00 1.00 C +ATOM 793 O ARG A 54 -14.116 7.914 -22.901 1.00 1.00 O +ATOM 794 CB ARG A 54 -14.571 7.114 -26.122 1.00 1.00 C +ATOM 795 CG ARG A 54 -14.519 5.819 -26.936 1.00 1.00 C +ATOM 796 CD ARG A 54 -15.783 5.654 -27.782 1.00 1.00 C +ATOM 797 NE ARG A 54 -16.047 4.218 -28.022 1.00 1.00 N +ATOM 798 CZ ARG A 54 -16.774 3.441 -27.208 1.00 1.00 C +ATOM 799 NH1 ARG A 54 -17.314 3.957 -26.095 1.00 1.00 N +ATOM 800 NH2 ARG A 54 -16.960 2.147 -27.506 1.00 1.00 N +ATOM 801 H ARG A 54 -15.980 8.675 -24.011 1.00 1.00 H +ATOM 802 HA ARG A 54 -15.742 5.920 -24.750 1.00 1.00 H +ATOM 803 HB2 ARG A 54 -15.125 7.873 -26.674 1.00 1.00 H +ATOM 804 HB3 ARG A 54 -13.560 7.499 -25.980 1.00 1.00 H +ATOM 805 HG2 ARG A 54 -13.642 5.827 -27.582 1.00 1.00 H +ATOM 806 HG3 ARG A 54 -14.413 4.967 -26.264 1.00 1.00 H +ATOM 807 HD2 ARG A 54 -16.634 6.108 -27.274 1.00 1.00 H +ATOM 808 HD3 ARG A 54 -15.664 6.175 -28.732 1.00 1.00 H +ATOM 809 HE ARG A 54 -15.658 3.801 -28.845 1.00 1.00 H +ATOM 810 HH11 ARG A 54 -17.174 4.921 -25.873 1.00 1.00 H +ATOM 811 HH12 ARG A 54 -17.856 3.377 -25.487 1.00 1.00 H +ATOM 812 HH21 ARG A 54 -16.557 1.762 -28.336 1.00 1.00 H +ATOM 813 HH22 ARG A 54 -17.503 1.568 -26.898 1.00 1.00 H +ATOM 814 N VAL A 55 -13.333 5.921 -23.626 1.00 1.00 N +ATOM 815 CA VAL A 55 -12.270 5.853 -22.638 1.00 1.00 C +ATOM 816 C VAL A 55 -10.949 5.529 -23.337 1.00 1.00 C +ATOM 817 O VAL A 55 -10.935 4.843 -24.358 1.00 1.00 O +ATOM 818 CB VAL A 55 -12.633 4.842 -21.548 1.00 1.00 C +ATOM 819 CG1 VAL A 55 -11.627 4.892 -20.398 1.00 1.00 C +ATOM 820 CG2 VAL A 55 -14.058 5.071 -21.039 1.00 1.00 C +ATOM 821 H VAL A 55 -13.379 5.142 -24.252 1.00 1.00 H +ATOM 822 HA VAL A 55 -12.190 6.836 -22.173 1.00 1.00 H +ATOM 823 HB VAL A 55 -12.591 3.845 -21.988 1.00 1.00 H +ATOM 824 HG11 VAL A 55 -10.913 5.697 -20.573 1.00 1.00 H +ATOM 825 HG12 VAL A 55 -12.153 5.071 -19.460 1.00 1.00 H +ATOM 826 HG13 VAL A 55 -11.095 3.941 -20.339 1.00 1.00 H +ATOM 827 HG21 VAL A 55 -14.745 5.099 -21.886 1.00 1.00 H +ATOM 828 HG22 VAL A 55 -14.339 4.259 -20.369 1.00 1.00 H +ATOM 829 HG23 VAL A 55 -14.104 6.018 -20.503 1.00 1.00 H +ATOM 830 N TYR A 56 -9.870 6.038 -22.761 1.00 1.00 N +ATOM 831 CA TYR A 56 -8.547 5.813 -23.316 1.00 1.00 C +ATOM 832 C TYR A 56 -7.622 5.166 -22.283 1.00 1.00 C +ATOM 833 O TYR A 56 -7.529 5.633 -21.150 1.00 1.00 O +ATOM 834 CB TYR A 56 -8.001 7.194 -23.678 1.00 1.00 C +ATOM 835 CG TYR A 56 -8.576 7.772 -24.973 1.00 1.00 C +ATOM 836 CD1 TYR A 56 -8.588 7.008 -26.123 1.00 1.00 C +ATOM 837 CD2 TYR A 56 -9.083 9.054 -24.991 1.00 1.00 C +ATOM 838 CE1 TYR A 56 -9.128 7.551 -27.342 1.00 1.00 C +ATOM 839 CE2 TYR A 56 -9.625 9.597 -26.209 1.00 1.00 C +ATOM 840 CZ TYR A 56 -9.621 8.819 -27.325 1.00 1.00 C +ATOM 841 OH TYR A 56 -10.133 9.333 -28.476 1.00 1.00 O +ATOM 842 H TYR A 56 -9.891 6.595 -21.931 1.00 1.00 H +ATOM 843 HA TYR A 56 -8.650 5.143 -24.170 1.00 1.00 H +ATOM 844 HB2 TYR A 56 -8.211 7.883 -22.860 1.00 1.00 H +ATOM 845 HB3 TYR A 56 -6.916 7.133 -23.771 1.00 1.00 H +ATOM 846 HD1 TYR A 56 -8.186 5.995 -26.109 1.00 1.00 H +ATOM 847 HD2 TYR A 56 -9.074 9.657 -24.083 1.00 1.00 H +ATOM 848 HE1 TYR A 56 -9.143 6.959 -28.258 1.00 1.00 H +ATOM 849 HE2 TYR A 56 -10.030 10.609 -26.237 1.00 1.00 H +ATOM 850 HH TYR A 56 -10.330 8.594 -29.121 1.00 1.00 H +ATOM 851 N HIS A 57 -6.962 4.100 -22.712 1.00 1.00 N +ATOM 852 CA HIS A 57 -6.047 3.384 -21.838 1.00 1.00 C +ATOM 853 C HIS A 57 -4.634 3.439 -22.420 1.00 1.00 C +ATOM 854 O HIS A 57 -4.240 2.563 -23.189 1.00 1.00 O +ATOM 855 CB HIS A 57 -6.535 1.954 -21.597 1.00 1.00 C +ATOM 856 CG HIS A 57 -7.546 1.830 -20.482 1.00 1.00 C +ATOM 857 ND1 HIS A 57 -8.910 1.776 -20.710 1.00 1.00 N +ATOM 858 CD2 HIS A 57 -7.377 1.750 -19.131 1.00 1.00 C +ATOM 859 CE1 HIS A 57 -9.525 1.668 -19.541 1.00 1.00 C +ATOM 860 NE2 HIS A 57 -8.574 1.652 -18.565 1.00 1.00 N +ATOM 861 H HIS A 57 -7.044 3.726 -23.635 1.00 1.00 H +ATOM 862 HA HIS A 57 -6.058 3.906 -20.881 1.00 1.00 H +ATOM 863 HB2 HIS A 57 -6.974 1.571 -22.517 1.00 1.00 H +ATOM 864 HB3 HIS A 57 -5.676 1.323 -21.367 1.00 1.00 H +ATOM 865 HD1 HIS A 57 -9.355 1.812 -21.605 1.00 1.00 H +ATOM 866 HD2 HIS A 57 -6.422 1.762 -18.606 1.00 1.00 H +ATOM 867 HE1 HIS A 57 -10.603 1.603 -19.388 1.00 1.00 H +ATOM 868 N TYR A 58 -3.908 4.477 -22.030 1.00 1.00 N +ATOM 869 CA TYR A 58 -2.545 4.656 -22.504 1.00 1.00 C +ATOM 870 C TYR A 58 -1.550 4.600 -21.343 1.00 1.00 C +ATOM 871 O TYR A 58 -1.662 5.362 -20.386 1.00 1.00 O +ATOM 872 CB TYR A 58 -2.498 6.051 -23.132 1.00 1.00 C +ATOM 873 CG TYR A 58 -2.438 6.043 -24.660 1.00 1.00 C +ATOM 874 CD1 TYR A 58 -3.399 5.368 -25.384 1.00 1.00 C +ATOM 875 CD2 TYR A 58 -1.424 6.712 -25.314 1.00 1.00 C +ATOM 876 CE1 TYR A 58 -3.342 5.360 -26.823 1.00 1.00 C +ATOM 877 CE2 TYR A 58 -1.367 6.704 -26.753 1.00 1.00 C +ATOM 878 CZ TYR A 58 -2.330 6.029 -27.436 1.00 1.00 C +ATOM 879 OH TYR A 58 -2.276 6.022 -28.796 1.00 1.00 O +ATOM 880 H TYR A 58 -4.234 5.184 -21.405 1.00 1.00 H +ATOM 881 HA TYR A 58 -2.323 3.852 -23.203 1.00 1.00 H +ATOM 882 HB2 TYR A 58 -3.380 6.611 -22.816 1.00 1.00 H +ATOM 883 HB3 TYR A 58 -1.628 6.582 -22.747 1.00 1.00 H +ATOM 884 HD1 TYR A 58 -4.199 4.839 -24.868 1.00 1.00 H +ATOM 885 HD2 TYR A 58 -0.665 7.246 -24.742 1.00 1.00 H +ATOM 886 HE1 TYR A 58 -4.095 4.830 -27.408 1.00 1.00 H +ATOM 887 HE2 TYR A 58 -0.571 7.228 -27.283 1.00 1.00 H +ATOM 888 HH TYR A 58 -3.073 6.495 -29.171 1.00 1.00 H +ATOM 889 N ARG A 59 -0.597 3.686 -21.467 1.00 1.00 N +ATOM 890 CA ARG A 59 0.417 3.518 -20.440 1.00 1.00 C +ATOM 891 C ARG A 59 1.090 4.859 -20.136 1.00 1.00 C +ATOM 892 O ARG A 59 0.913 5.828 -20.873 1.00 1.00 O +ATOM 893 CB ARG A 59 1.481 2.510 -20.878 1.00 1.00 C +ATOM 894 CG ARG A 59 1.913 2.759 -22.324 1.00 1.00 C +ATOM 895 CD ARG A 59 1.815 1.478 -23.154 1.00 1.00 C +ATOM 896 NE ARG A 59 2.739 1.551 -24.309 1.00 1.00 N +ATOM 897 CZ ARG A 59 2.487 2.237 -25.430 1.00 1.00 C +ATOM 898 NH1 ARG A 59 1.339 2.915 -25.558 1.00 1.00 N +ATOM 899 NH2 ARG A 59 3.386 2.246 -26.426 1.00 1.00 N +ATOM 900 H ARG A 59 -0.513 3.069 -22.249 1.00 1.00 H +ATOM 901 HA ARG A 59 -0.124 3.144 -19.572 1.00 1.00 H +ATOM 902 HB2 ARG A 59 2.346 2.579 -20.219 1.00 1.00 H +ATOM 903 HB3 ARG A 59 1.089 1.496 -20.781 1.00 1.00 H +ATOM 904 HG2 ARG A 59 1.285 3.533 -22.766 1.00 1.00 H +ATOM 905 HG3 ARG A 59 2.938 3.130 -22.342 1.00 1.00 H +ATOM 906 HD2 ARG A 59 2.059 0.614 -22.536 1.00 1.00 H +ATOM 907 HD3 ARG A 59 0.793 1.339 -23.506 1.00 1.00 H +ATOM 908 HE ARG A 59 3.606 1.056 -24.245 1.00 1.00 H +ATOM 909 HH11 ARG A 59 0.669 2.907 -24.815 1.00 1.00 H +ATOM 910 HH12 ARG A 59 1.150 3.428 -26.397 1.00 1.00 H +ATOM 911 HH21 ARG A 59 4.243 1.742 -26.331 1.00 1.00 H +ATOM 912 HH22 ARG A 59 3.197 2.760 -27.264 1.00 1.00 H +ATOM 913 N ILE A 60 1.847 4.870 -19.049 1.00 1.00 N +ATOM 914 CA ILE A 60 2.547 6.076 -18.638 1.00 1.00 C +ATOM 915 C ILE A 60 3.679 6.365 -19.625 1.00 1.00 C +ATOM 916 O ILE A 60 3.439 6.521 -20.821 1.00 1.00 O +ATOM 917 CB ILE A 60 3.013 5.955 -17.186 1.00 1.00 C +ATOM 918 CG1 ILE A 60 1.870 5.494 -16.278 1.00 1.00 C +ATOM 919 CG2 ILE A 60 3.638 7.264 -16.699 1.00 1.00 C +ATOM 920 CD1 ILE A 60 1.015 6.681 -15.829 1.00 1.00 C +ATOM 921 H ILE A 60 1.985 4.078 -18.455 1.00 1.00 H +ATOM 922 HA ILE A 60 1.834 6.898 -18.679 1.00 1.00 H +ATOM 923 HB ILE A 60 3.789 5.190 -17.138 1.00 1.00 H +ATOM 924 HG12 ILE A 60 1.247 4.774 -16.810 1.00 1.00 H +ATOM 925 HG13 ILE A 60 2.276 4.983 -15.406 1.00 1.00 H +ATOM 926 HG21 ILE A 60 3.551 8.020 -17.480 1.00 1.00 H +ATOM 927 HG22 ILE A 60 3.119 7.605 -15.804 1.00 1.00 H +ATOM 928 HG23 ILE A 60 4.691 7.100 -16.469 1.00 1.00 H +ATOM 929 HD11 ILE A 60 1.008 7.440 -16.610 1.00 1.00 H +ATOM 930 HD12 ILE A 60 -0.004 6.344 -15.639 1.00 1.00 H +ATOM 931 HD13 ILE A 60 1.434 7.104 -14.915 1.00 1.00 H +ATOM 932 N ASN A 61 4.889 6.426 -19.088 1.00 1.00 N +ATOM 933 CA ASN A 61 6.058 6.692 -19.907 1.00 1.00 C +ATOM 934 C ASN A 61 7.251 7.002 -19.000 1.00 1.00 C +ATOM 935 O ASN A 61 7.215 7.956 -18.224 1.00 1.00 O +ATOM 936 CB ASN A 61 5.830 7.902 -20.815 1.00 1.00 C +ATOM 937 CG ASN A 61 7.106 8.262 -21.581 1.00 1.00 C +ATOM 938 OD1 ASN A 61 8.208 7.903 -21.206 1.00 1.00 O +ATOM 939 ND2 ASN A 61 6.893 8.990 -22.674 1.00 1.00 N +ATOM 940 H ASN A 61 5.075 6.296 -18.115 1.00 1.00 H +ATOM 941 HA ASN A 61 6.207 5.790 -20.499 1.00 1.00 H +ATOM 942 HB2 ASN A 61 5.026 7.686 -21.520 1.00 1.00 H +ATOM 943 HB3 ASN A 61 5.509 8.756 -20.217 1.00 1.00 H +ATOM 944 HD21 ASN A 61 5.961 9.252 -22.928 1.00 1.00 H +ATOM 945 HD22 ASN A 61 7.664 9.275 -23.243 1.00 1.00 H +ATOM 946 N THR A 62 8.280 6.178 -19.128 1.00 1.00 N +ATOM 947 CA THR A 62 9.482 6.350 -18.329 1.00 1.00 C +ATOM 948 C THR A 62 10.654 6.780 -19.215 1.00 1.00 C +ATOM 949 O THR A 62 10.759 6.350 -20.363 1.00 1.00 O +ATOM 950 CB THR A 62 9.738 5.046 -17.572 1.00 1.00 C +ATOM 951 OG1 THR A 62 8.475 4.723 -16.998 1.00 1.00 O +ATOM 952 CG2 THR A 62 10.658 5.241 -16.364 1.00 1.00 C +ATOM 953 H THR A 62 8.302 5.405 -19.763 1.00 1.00 H +ATOM 954 HA THR A 62 9.308 7.156 -17.617 1.00 1.00 H +ATOM 955 HB THR A 62 10.131 4.279 -18.241 1.00 1.00 H +ATOM 956 HG1 THR A 62 7.922 5.552 -16.900 1.00 1.00 H +ATOM 957 HG21 THR A 62 10.393 6.166 -15.851 1.00 1.00 H +ATOM 958 HG22 THR A 62 10.543 4.399 -15.682 1.00 1.00 H +ATOM 959 HG23 THR A 62 11.693 5.297 -16.701 1.00 1.00 H +ATOM 960 N ALA A 63 11.505 7.622 -18.647 1.00 1.00 N +ATOM 961 CA ALA A 63 12.665 8.114 -19.371 1.00 1.00 C +ATOM 962 C ALA A 63 13.800 7.094 -19.260 1.00 1.00 C +ATOM 963 O ALA A 63 14.919 7.443 -18.884 1.00 1.00 O +ATOM 964 CB ALA A 63 13.061 9.488 -18.827 1.00 1.00 C +ATOM 965 H ALA A 63 11.413 7.967 -17.713 1.00 1.00 H +ATOM 966 HA ALA A 63 12.383 8.219 -20.419 1.00 1.00 H +ATOM 967 HB1 ALA A 63 12.190 10.144 -18.832 1.00 1.00 H +ATOM 968 HB2 ALA A 63 13.431 9.383 -17.808 1.00 1.00 H +ATOM 969 HB3 ALA A 63 13.843 9.916 -19.455 1.00 1.00 H +ATOM 970 N SER A 64 13.473 5.854 -19.593 1.00 1.00 N +ATOM 971 CA SER A 64 14.453 4.781 -19.535 1.00 1.00 C +ATOM 972 C SER A 64 15.376 4.980 -18.333 1.00 1.00 C +ATOM 973 O SER A 64 16.554 4.627 -18.386 1.00 1.00 O +ATOM 974 CB SER A 64 15.268 4.710 -20.828 1.00 1.00 C +ATOM 975 OG SER A 64 16.200 5.784 -20.930 1.00 1.00 O +ATOM 976 H SER A 64 12.562 5.579 -19.897 1.00 1.00 H +ATOM 977 HA SER A 64 13.870 3.866 -19.423 1.00 1.00 H +ATOM 978 HB2 SER A 64 15.803 3.761 -20.867 1.00 1.00 H +ATOM 979 HB3 SER A 64 14.595 4.732 -21.684 1.00 1.00 H +ATOM 980 HG SER A 64 16.122 6.382 -20.132 1.00 1.00 H +ATOM 981 N ASP A 65 14.810 5.546 -17.278 1.00 1.00 N +ATOM 982 CA ASP A 65 15.569 5.795 -16.064 1.00 1.00 C +ATOM 983 C ASP A 65 14.707 5.447 -14.849 1.00 1.00 C +ATOM 984 O ASP A 65 15.104 4.632 -14.017 1.00 1.00 O +ATOM 985 CB ASP A 65 15.964 7.270 -15.956 1.00 1.00 C +ATOM 986 CG ASP A 65 16.896 7.605 -14.790 1.00 1.00 C +ATOM 987 OD1 ASP A 65 16.359 7.860 -13.690 1.00 1.00 O +ATOM 988 OD2 ASP A 65 18.123 7.601 -15.025 1.00 1.00 O +ATOM 989 H ASP A 65 13.852 5.831 -17.243 1.00 1.00 H +ATOM 990 HA ASP A 65 16.453 5.165 -16.144 1.00 1.00 H +ATOM 991 HB2 ASP A 65 16.447 7.570 -16.886 1.00 1.00 H +ATOM 992 HB3 ASP A 65 15.057 7.868 -15.860 1.00 1.00 H +ATOM 993 N GLY A 66 13.546 6.081 -14.785 1.00 1.00 N +ATOM 994 CA GLY A 66 12.626 5.847 -13.684 1.00 1.00 C +ATOM 995 C GLY A 66 11.482 6.862 -13.700 1.00 1.00 C +ATOM 996 O GLY A 66 10.311 6.486 -13.692 1.00 1.00 O +ATOM 997 H GLY A 66 13.230 6.742 -15.466 1.00 1.00 H +ATOM 998 HA2 GLY A 66 12.221 4.838 -13.752 1.00 1.00 H +ATOM 999 HA3 GLY A 66 13.162 5.912 -12.737 1.00 1.00 H +ATOM 1000 N LYS A 67 11.862 8.132 -13.723 1.00 1.00 N +ATOM 1001 CA LYS A 67 10.883 9.207 -13.741 1.00 1.00 C +ATOM 1002 C LYS A 67 9.820 8.904 -14.798 1.00 1.00 C +ATOM 1003 O LYS A 67 10.118 8.309 -15.832 1.00 1.00 O +ATOM 1004 CB LYS A 67 11.573 10.558 -13.932 1.00 1.00 C +ATOM 1005 CG LYS A 67 12.810 10.419 -14.821 1.00 1.00 C +ATOM 1006 CD LYS A 67 14.089 10.394 -13.981 1.00 1.00 C +ATOM 1007 CE LYS A 67 14.823 11.735 -14.057 1.00 1.00 C +ATOM 1008 NZ LYS A 67 15.462 11.903 -15.381 1.00 1.00 N +ATOM 1009 H LYS A 67 12.816 8.431 -13.730 1.00 1.00 H +ATOM 1010 HA LYS A 67 10.403 9.226 -12.762 1.00 1.00 H +ATOM 1011 HB2 LYS A 67 10.876 11.266 -14.379 1.00 1.00 H +ATOM 1012 HB3 LYS A 67 11.860 10.964 -12.962 1.00 1.00 H +ATOM 1013 HG2 LYS A 67 12.740 9.506 -15.411 1.00 1.00 H +ATOM 1014 HG3 LYS A 67 12.852 11.251 -15.526 1.00 1.00 H +ATOM 1015 HD2 LYS A 67 13.843 10.168 -12.944 1.00 1.00 H +ATOM 1016 HD3 LYS A 67 14.745 9.598 -14.333 1.00 1.00 H +ATOM 1017 HE2 LYS A 67 14.121 12.550 -13.879 1.00 1.00 H +ATOM 1018 HE3 LYS A 67 15.577 11.787 -13.273 1.00 1.00 H +ATOM 1019 HZ1 LYS A 67 14.782 11.757 -16.100 1.00 1.00 H +ATOM 1020 HZ2 LYS A 67 15.834 12.827 -15.457 1.00 1.00 H +ATOM 1021 HZ3 LYS A 67 16.200 11.236 -15.481 1.00 1.00 H +ATOM 1022 N LEU A 68 8.600 9.327 -14.502 1.00 1.00 N +ATOM 1023 CA LEU A 68 7.489 9.110 -15.414 1.00 1.00 C +ATOM 1024 C LEU A 68 7.168 10.417 -16.142 1.00 1.00 C +ATOM 1025 O LEU A 68 6.671 11.364 -15.534 1.00 1.00 O +ATOM 1026 CB LEU A 68 6.294 8.510 -14.671 1.00 1.00 C +ATOM 1027 CG LEU A 68 6.469 7.076 -14.164 1.00 1.00 C +ATOM 1028 CD1 LEU A 68 7.483 7.019 -13.019 1.00 1.00 C +ATOM 1029 CD2 LEU A 68 5.124 6.466 -13.769 1.00 1.00 C +ATOM 1030 H LEU A 68 8.365 9.811 -13.659 1.00 1.00 H +ATOM 1031 HA LEU A 68 7.813 8.373 -16.151 1.00 1.00 H +ATOM 1032 HB2 LEU A 68 6.063 9.149 -13.819 1.00 1.00 H +ATOM 1033 HB3 LEU A 68 5.429 8.536 -15.333 1.00 1.00 H +ATOM 1034 HG LEU A 68 6.871 6.473 -14.979 1.00 1.00 H +ATOM 1035 HD11 LEU A 68 8.432 7.443 -13.351 1.00 1.00 H +ATOM 1036 HD12 LEU A 68 7.106 7.593 -12.172 1.00 1.00 H +ATOM 1037 HD13 LEU A 68 7.634 5.984 -12.718 1.00 1.00 H +ATOM 1038 HD21 LEU A 68 4.637 7.104 -13.033 1.00 1.00 H +ATOM 1039 HD22 LEU A 68 4.489 6.381 -14.652 1.00 1.00 H +ATOM 1040 HD23 LEU A 68 5.285 5.475 -13.343 1.00 1.00 H +ATOM 1041 N TYR A 69 7.466 10.427 -17.433 1.00 1.00 N +ATOM 1042 CA TYR A 69 7.215 11.602 -18.249 1.00 1.00 C +ATOM 1043 C TYR A 69 6.376 11.247 -19.478 1.00 1.00 C +ATOM 1044 O TYR A 69 6.794 10.438 -20.308 1.00 1.00 O +ATOM 1045 CB TYR A 69 8.588 12.098 -18.709 1.00 1.00 C +ATOM 1046 CG TYR A 69 9.116 11.392 -19.959 1.00 1.00 C +ATOM 1047 CD1 TYR A 69 9.652 10.125 -19.863 1.00 1.00 C +ATOM 1048 CD2 TYR A 69 9.058 12.026 -21.184 1.00 1.00 C +ATOM 1049 CE1 TYR A 69 10.151 9.462 -21.041 1.00 1.00 C +ATOM 1050 CE2 TYR A 69 9.556 11.362 -22.362 1.00 1.00 C +ATOM 1051 CZ TYR A 69 10.077 10.114 -22.232 1.00 1.00 C +ATOM 1052 OH TYR A 69 10.547 9.487 -23.343 1.00 1.00 O +ATOM 1053 H TYR A 69 7.870 9.652 -17.919 1.00 1.00 H +ATOM 1054 HA TYR A 69 6.669 12.323 -17.642 1.00 1.00 H +ATOM 1055 HB2 TYR A 69 8.530 13.167 -18.905 1.00 1.00 H +ATOM 1056 HB3 TYR A 69 9.302 11.959 -17.897 1.00 1.00 H +ATOM 1057 HD1 TYR A 69 9.699 9.625 -18.895 1.00 1.00 H +ATOM 1058 HD2 TYR A 69 8.636 13.027 -21.260 1.00 1.00 H +ATOM 1059 HE1 TYR A 69 10.576 8.461 -20.979 1.00 1.00 H +ATOM 1060 HE2 TYR A 69 9.516 11.851 -23.335 1.00 1.00 H +ATOM 1061 HH TYR A 69 10.578 10.129 -24.110 1.00 1.00 H +ATOM 1062 N VAL A 70 5.208 11.868 -19.558 1.00 1.00 N +ATOM 1063 CA VAL A 70 4.309 11.627 -20.673 1.00 1.00 C +ATOM 1064 C VAL A 70 4.813 12.382 -21.904 1.00 1.00 C +ATOM 1065 O VAL A 70 4.588 11.955 -23.035 1.00 1.00 O +ATOM 1066 CB VAL A 70 2.878 12.008 -20.282 1.00 1.00 C +ATOM 1067 CG1 VAL A 70 1.879 11.549 -21.346 1.00 1.00 C +ATOM 1068 CG2 VAL A 70 2.516 11.440 -18.908 1.00 1.00 C +ATOM 1069 H VAL A 70 4.877 12.523 -18.881 1.00 1.00 H +ATOM 1070 HA VAL A 70 4.325 10.557 -20.885 1.00 1.00 H +ATOM 1071 HB VAL A 70 2.827 13.095 -20.220 1.00 1.00 H +ATOM 1072 HG11 VAL A 70 2.320 11.672 -22.336 1.00 1.00 H +ATOM 1073 HG12 VAL A 70 1.633 10.500 -21.186 1.00 1.00 H +ATOM 1074 HG13 VAL A 70 0.972 12.150 -21.275 1.00 1.00 H +ATOM 1075 HG21 VAL A 70 3.416 11.060 -18.424 1.00 1.00 H +ATOM 1076 HG22 VAL A 70 2.077 12.227 -18.295 1.00 1.00 H +ATOM 1077 HG23 VAL A 70 1.798 10.629 -19.028 1.00 1.00 H +ATOM 1078 N SER A 71 5.484 13.494 -21.642 1.00 1.00 N +ATOM 1079 CA SER A 71 6.023 14.313 -22.713 1.00 1.00 C +ATOM 1080 C SER A 71 7.553 14.340 -22.636 1.00 1.00 C +ATOM 1081 O SER A 71 8.224 13.557 -23.306 1.00 1.00 O +ATOM 1082 CB SER A 71 5.465 15.737 -22.653 1.00 1.00 C +ATOM 1083 OG SER A 71 5.971 16.554 -23.706 1.00 1.00 O +ATOM 1084 H SER A 71 5.664 13.835 -20.718 1.00 1.00 H +ATOM 1085 HA SER A 71 5.696 13.833 -23.636 1.00 1.00 H +ATOM 1086 HB2 SER A 71 4.377 15.701 -22.711 1.00 1.00 H +ATOM 1087 HB3 SER A 71 5.718 16.185 -21.693 1.00 1.00 H +ATOM 1088 HG SER A 71 5.820 17.518 -23.492 1.00 1.00 H +ATOM 1089 N SER A 72 8.055 15.247 -21.812 1.00 1.00 N +ATOM 1090 CA SER A 72 9.491 15.385 -21.637 1.00 1.00 C +ATOM 1091 C SER A 72 9.794 16.557 -20.703 1.00 1.00 C +ATOM 1092 O SER A 72 10.546 16.411 -19.741 1.00 1.00 O +ATOM 1093 CB SER A 72 10.193 15.582 -22.982 1.00 1.00 C +ATOM 1094 OG SER A 72 11.076 14.505 -23.287 1.00 1.00 O +ATOM 1095 H SER A 72 7.501 15.878 -21.270 1.00 1.00 H +ATOM 1096 HA SER A 72 9.820 14.446 -21.191 1.00 1.00 H +ATOM 1097 HB2 SER A 72 9.445 15.672 -23.771 1.00 1.00 H +ATOM 1098 HB3 SER A 72 10.753 16.516 -22.966 1.00 1.00 H +ATOM 1099 HG SER A 72 12.021 14.777 -23.107 1.00 1.00 H +ATOM 1100 N GLU A 73 9.192 17.695 -21.019 1.00 1.00 N +ATOM 1101 CA GLU A 73 9.389 18.892 -20.220 1.00 1.00 C +ATOM 1102 C GLU A 73 8.522 18.838 -18.960 1.00 1.00 C +ATOM 1103 O GLU A 73 8.560 19.752 -18.137 1.00 1.00 O +ATOM 1104 CB GLU A 73 9.091 20.152 -21.037 1.00 1.00 C +ATOM 1105 CG GLU A 73 7.881 20.898 -20.471 1.00 1.00 C +ATOM 1106 CD GLU A 73 7.385 21.961 -21.454 1.00 1.00 C +ATOM 1107 OE1 GLU A 73 8.224 22.792 -21.862 1.00 1.00 O +ATOM 1108 OE2 GLU A 73 6.178 21.918 -21.776 1.00 1.00 O +ATOM 1109 H GLU A 73 8.582 17.805 -21.803 1.00 1.00 H +ATOM 1110 HA GLU A 73 10.444 18.887 -19.944 1.00 1.00 H +ATOM 1111 HB2 GLU A 73 9.962 20.807 -21.031 1.00 1.00 H +ATOM 1112 HB3 GLU A 73 8.903 19.879 -22.075 1.00 1.00 H +ATOM 1113 HG2 GLU A 73 7.080 20.190 -20.261 1.00 1.00 H +ATOM 1114 HG3 GLU A 73 8.148 21.368 -19.526 1.00 1.00 H +ATOM 1115 N SER A 74 7.764 17.758 -18.849 1.00 1.00 N +ATOM 1116 CA SER A 74 6.889 17.573 -17.704 1.00 1.00 C +ATOM 1117 C SER A 74 7.071 16.166 -17.129 1.00 1.00 C +ATOM 1118 O SER A 74 6.161 15.341 -17.200 1.00 1.00 O +ATOM 1119 CB SER A 74 5.426 17.807 -18.084 1.00 1.00 C +ATOM 1120 OG SER A 74 5.272 18.923 -18.955 1.00 1.00 O +ATOM 1121 H SER A 74 7.739 17.019 -19.522 1.00 1.00 H +ATOM 1122 HA SER A 74 7.200 18.324 -16.979 1.00 1.00 H +ATOM 1123 HB2 SER A 74 5.029 16.913 -18.567 1.00 1.00 H +ATOM 1124 HB3 SER A 74 4.838 17.967 -17.181 1.00 1.00 H +ATOM 1125 HG SER A 74 5.657 19.744 -18.531 1.00 1.00 H +ATOM 1126 N ARG A 75 8.250 15.936 -16.573 1.00 1.00 N +ATOM 1127 CA ARG A 75 8.563 14.644 -15.986 1.00 1.00 C +ATOM 1128 C ARG A 75 8.119 14.604 -14.522 1.00 1.00 C +ATOM 1129 O ARG A 75 8.158 15.620 -13.831 1.00 1.00 O +ATOM 1130 CB ARG A 75 10.062 14.350 -16.066 1.00 1.00 C +ATOM 1131 CG ARG A 75 10.777 15.381 -16.940 1.00 1.00 C +ATOM 1132 CD ARG A 75 12.089 14.819 -17.491 1.00 1.00 C +ATOM 1133 NE ARG A 75 12.859 15.892 -18.159 1.00 1.00 N +ATOM 1134 CZ ARG A 75 14.190 15.873 -18.317 1.00 1.00 C +ATOM 1135 NH1 ARG A 75 14.905 14.838 -17.858 1.00 1.00 N +ATOM 1136 NH2 ARG A 75 14.805 16.891 -18.935 1.00 1.00 N +ATOM 1137 H ARG A 75 8.985 16.613 -16.518 1.00 1.00 H +ATOM 1138 HA ARG A 75 8.004 13.924 -16.585 1.00 1.00 H +ATOM 1139 HB2 ARG A 75 10.492 14.358 -15.065 1.00 1.00 H +ATOM 1140 HB3 ARG A 75 10.219 13.351 -16.473 1.00 1.00 H +ATOM 1141 HG2 ARG A 75 10.128 15.675 -17.767 1.00 1.00 H +ATOM 1142 HG3 ARG A 75 10.978 16.280 -16.358 1.00 1.00 H +ATOM 1143 HD2 ARG A 75 12.676 14.388 -16.681 1.00 1.00 H +ATOM 1144 HD3 ARG A 75 11.881 14.016 -18.197 1.00 1.00 H +ATOM 1145 HE ARG A 75 12.356 16.680 -18.513 1.00 1.00 H +ATOM 1146 HH11 ARG A 75 14.446 14.078 -17.396 1.00 1.00 H +ATOM 1147 HH12 ARG A 75 15.898 14.825 -17.976 1.00 1.00 H +ATOM 1148 HH21 ARG A 75 14.271 17.665 -19.277 1.00 1.00 H +ATOM 1149 HH22 ARG A 75 15.798 16.879 -19.054 1.00 1.00 H +ATOM 1150 N PHE A 76 7.708 13.419 -14.094 1.00 1.00 N +ATOM 1151 CA PHE A 76 7.256 13.234 -12.725 1.00 1.00 C +ATOM 1152 C PHE A 76 7.812 11.936 -12.136 1.00 1.00 C +ATOM 1153 O PHE A 76 8.344 11.098 -12.863 1.00 1.00 O +ATOM 1154 CB PHE A 76 5.729 13.151 -12.764 1.00 1.00 C +ATOM 1155 CG PHE A 76 5.069 14.233 -13.621 1.00 1.00 C +ATOM 1156 CD1 PHE A 76 4.868 15.478 -13.110 1.00 1.00 C +ATOM 1157 CD2 PHE A 76 4.683 13.950 -14.895 1.00 1.00 C +ATOM 1158 CE1 PHE A 76 4.255 16.482 -13.906 1.00 1.00 C +ATOM 1159 CE2 PHE A 76 4.070 14.954 -15.690 1.00 1.00 C +ATOM 1160 CZ PHE A 76 3.869 16.199 -15.179 1.00 1.00 C +ATOM 1161 H PHE A 76 7.678 12.598 -14.663 1.00 1.00 H +ATOM 1162 HA PHE A 76 7.626 14.080 -12.145 1.00 1.00 H +ATOM 1163 HB2 PHE A 76 5.438 12.172 -13.145 1.00 1.00 H +ATOM 1164 HB3 PHE A 76 5.346 13.224 -11.746 1.00 1.00 H +ATOM 1165 HD1 PHE A 76 5.177 15.704 -12.090 1.00 1.00 H +ATOM 1166 HD2 PHE A 76 4.844 12.953 -15.304 1.00 1.00 H +ATOM 1167 HE1 PHE A 76 4.094 17.478 -13.496 1.00 1.00 H +ATOM 1168 HE2 PHE A 76 3.761 14.727 -16.711 1.00 1.00 H +ATOM 1169 HZ PHE A 76 3.398 16.969 -15.790 1.00 1.00 H +ATOM 1170 N ASN A 77 7.667 11.808 -10.826 1.00 1.00 N +ATOM 1171 CA ASN A 77 8.147 10.626 -10.131 1.00 1.00 C +ATOM 1172 C ASN A 77 6.954 9.763 -9.719 1.00 1.00 C +ATOM 1173 O ASN A 77 7.047 8.536 -9.699 1.00 1.00 O +ATOM 1174 CB ASN A 77 8.916 11.006 -8.865 1.00 1.00 C +ATOM 1175 CG ASN A 77 10.394 11.257 -9.175 1.00 1.00 C +ATOM 1176 OD1 ASN A 77 11.040 10.509 -9.892 1.00 1.00 O +ATOM 1177 ND2 ASN A 77 10.889 12.347 -8.598 1.00 1.00 N +ATOM 1178 H ASN A 77 7.233 12.494 -10.242 1.00 1.00 H +ATOM 1179 HA ASN A 77 8.801 10.122 -10.843 1.00 1.00 H +ATOM 1180 HB2 ASN A 77 8.478 11.900 -8.422 1.00 1.00 H +ATOM 1181 HB3 ASN A 77 8.828 10.207 -8.127 1.00 1.00 H +ATOM 1182 HD21 ASN A 77 10.306 12.918 -8.022 1.00 1.00 H +ATOM 1183 HD22 ASN A 77 11.848 12.597 -8.741 1.00 1.00 H +ATOM 1184 N THR A 78 5.858 10.438 -9.399 1.00 1.00 N +ATOM 1185 CA THR A 78 4.648 9.747 -8.986 1.00 1.00 C +ATOM 1186 C THR A 78 3.487 10.106 -9.916 1.00 1.00 C +ATOM 1187 O THR A 78 3.457 11.198 -10.484 1.00 1.00 O +ATOM 1188 CB THR A 78 4.383 10.092 -7.520 1.00 1.00 C +ATOM 1189 OG1 THR A 78 4.656 11.487 -7.437 1.00 1.00 O +ATOM 1190 CG2 THR A 78 5.402 9.455 -6.574 1.00 1.00 C +ATOM 1191 H THR A 78 5.790 11.434 -9.417 1.00 1.00 H +ATOM 1192 HA THR A 78 4.814 8.674 -9.084 1.00 1.00 H +ATOM 1193 HB THR A 78 3.365 9.823 -7.235 1.00 1.00 H +ATOM 1194 HG1 THR A 78 4.031 11.996 -8.029 1.00 1.00 H +ATOM 1195 HG21 THR A 78 6.103 8.849 -7.150 1.00 1.00 H +ATOM 1196 HG22 THR A 78 5.948 10.237 -6.047 1.00 1.00 H +ATOM 1197 HG23 THR A 78 4.884 8.823 -5.853 1.00 1.00 H +ATOM 1198 N LEU A 79 2.559 9.169 -10.042 1.00 1.00 N +ATOM 1199 CA LEU A 79 1.399 9.375 -10.891 1.00 1.00 C +ATOM 1200 C LEU A 79 0.731 10.701 -10.525 1.00 1.00 C +ATOM 1201 O LEU A 79 0.467 11.529 -11.394 1.00 1.00 O +ATOM 1202 CB LEU A 79 0.458 8.171 -10.813 1.00 1.00 C +ATOM 1203 CG LEU A 79 0.123 7.671 -9.407 1.00 1.00 C +ATOM 1204 CD1 LEU A 79 -1.360 7.882 -9.090 1.00 1.00 C +ATOM 1205 CD2 LEU A 79 0.544 6.211 -9.228 1.00 1.00 C +ATOM 1206 H LEU A 79 2.591 8.286 -9.575 1.00 1.00 H +ATOM 1207 HA LEU A 79 1.754 9.440 -11.919 1.00 1.00 H +ATOM 1208 HB2 LEU A 79 -0.473 8.429 -11.318 1.00 1.00 H +ATOM 1209 HB3 LEU A 79 0.906 7.348 -11.373 1.00 1.00 H +ATOM 1210 HG LEU A 79 0.692 8.262 -8.690 1.00 1.00 H +ATOM 1211 HD11 LEU A 79 -1.912 8.030 -10.017 1.00 1.00 H +ATOM 1212 HD12 LEU A 79 -1.748 7.007 -8.569 1.00 1.00 H +ATOM 1213 HD13 LEU A 79 -1.473 8.761 -8.455 1.00 1.00 H +ATOM 1214 HD21 LEU A 79 0.625 5.734 -10.204 1.00 1.00 H +ATOM 1215 HD22 LEU A 79 1.510 6.173 -8.724 1.00 1.00 H +ATOM 1216 HD23 LEU A 79 -0.200 5.688 -8.629 1.00 1.00 H +ATOM 1217 N ALA A 80 0.477 10.863 -9.235 1.00 1.00 N +ATOM 1218 CA ALA A 80 -0.155 12.074 -8.742 1.00 1.00 C +ATOM 1219 C ALA A 80 0.489 13.289 -9.412 1.00 1.00 C +ATOM 1220 O ALA A 80 -0.177 14.028 -10.136 1.00 1.00 O +ATOM 1221 CB ALA A 80 -0.045 12.124 -7.216 1.00 1.00 C +ATOM 1222 H ALA A 80 0.694 10.184 -8.532 1.00 1.00 H +ATOM 1223 HA ALA A 80 -1.209 12.034 -9.016 1.00 1.00 H +ATOM 1224 HB1 ALA A 80 0.804 11.522 -6.894 1.00 1.00 H +ATOM 1225 HB2 ALA A 80 0.099 13.156 -6.895 1.00 1.00 H +ATOM 1226 HB3 ALA A 80 -0.959 11.730 -6.772 1.00 1.00 H +ATOM 1227 N GLU A 81 1.776 13.458 -9.148 1.00 1.00 N +ATOM 1228 CA GLU A 81 2.517 14.571 -9.717 1.00 1.00 C +ATOM 1229 C GLU A 81 2.224 14.694 -11.215 1.00 1.00 C +ATOM 1230 O GLU A 81 2.202 15.796 -11.758 1.00 1.00 O +ATOM 1231 CB GLU A 81 4.018 14.417 -9.463 1.00 1.00 C +ATOM 1232 CG GLU A 81 4.414 15.039 -8.123 1.00 1.00 C +ATOM 1233 CD GLU A 81 3.514 14.528 -6.995 1.00 1.00 C +ATOM 1234 OE1 GLU A 81 3.143 13.335 -7.060 1.00 1.00 O +ATOM 1235 OE2 GLU A 81 3.217 15.342 -6.094 1.00 1.00 O +ATOM 1236 H GLU A 81 2.310 12.853 -8.559 1.00 1.00 H +ATOM 1237 HA GLU A 81 2.155 15.457 -9.196 1.00 1.00 H +ATOM 1238 HB2 GLU A 81 4.286 13.361 -9.472 1.00 1.00 H +ATOM 1239 HB3 GLU A 81 4.577 14.894 -10.268 1.00 1.00 H +ATOM 1240 HG2 GLU A 81 5.453 14.799 -7.900 1.00 1.00 H +ATOM 1241 HG3 GLU A 81 4.344 16.125 -8.185 1.00 1.00 H +ATOM 1242 N LEU A 82 2.006 13.545 -11.838 1.00 1.00 N +ATOM 1243 CA LEU A 82 1.715 13.509 -13.262 1.00 1.00 C +ATOM 1244 C LEU A 82 0.387 14.223 -13.524 1.00 1.00 C +ATOM 1245 O LEU A 82 0.320 15.134 -14.347 1.00 1.00 O +ATOM 1246 CB LEU A 82 1.755 12.071 -13.781 1.00 1.00 C +ATOM 1247 CG LEU A 82 1.984 11.907 -15.284 1.00 1.00 C +ATOM 1248 CD1 LEU A 82 3.250 11.096 -15.561 1.00 1.00 C +ATOM 1249 CD2 LEU A 82 0.754 11.299 -15.964 1.00 1.00 C +ATOM 1250 H LEU A 82 2.025 12.652 -11.389 1.00 1.00 H +ATOM 1251 HA LEU A 82 2.508 14.057 -13.770 1.00 1.00 H +ATOM 1252 HB2 LEU A 82 2.544 11.536 -13.252 1.00 1.00 H +ATOM 1253 HB3 LEU A 82 0.813 11.586 -13.521 1.00 1.00 H +ATOM 1254 HG LEU A 82 2.134 12.897 -15.717 1.00 1.00 H +ATOM 1255 HD11 LEU A 82 3.964 11.249 -14.751 1.00 1.00 H +ATOM 1256 HD12 LEU A 82 2.998 10.037 -15.627 1.00 1.00 H +ATOM 1257 HD13 LEU A 82 3.694 11.423 -16.501 1.00 1.00 H +ATOM 1258 HD21 LEU A 82 -0.149 11.724 -15.527 1.00 1.00 H +ATOM 1259 HD22 LEU A 82 0.782 11.518 -17.031 1.00 1.00 H +ATOM 1260 HD23 LEU A 82 0.755 10.219 -15.815 1.00 1.00 H +ATOM 1261 N VAL A 83 -0.636 13.781 -12.808 1.00 1.00 N +ATOM 1262 CA VAL A 83 -1.959 14.365 -12.953 1.00 1.00 C +ATOM 1263 C VAL A 83 -1.919 15.824 -12.497 1.00 1.00 C +ATOM 1264 O VAL A 83 -2.544 16.688 -13.111 1.00 1.00 O +ATOM 1265 CB VAL A 83 -2.987 13.528 -12.192 1.00 1.00 C +ATOM 1266 CG1 VAL A 83 -4.012 14.423 -11.491 1.00 1.00 C +ATOM 1267 CG2 VAL A 83 -3.677 12.527 -13.121 1.00 1.00 C +ATOM 1268 H VAL A 83 -0.574 13.039 -12.140 1.00 1.00 H +ATOM 1269 HA VAL A 83 -2.217 14.335 -14.012 1.00 1.00 H +ATOM 1270 HB VAL A 83 -2.458 12.963 -11.424 1.00 1.00 H +ATOM 1271 HG11 VAL A 83 -3.606 15.429 -11.389 1.00 1.00 H +ATOM 1272 HG12 VAL A 83 -4.927 14.459 -12.082 1.00 1.00 H +ATOM 1273 HG13 VAL A 83 -4.234 14.018 -10.503 1.00 1.00 H +ATOM 1274 HG21 VAL A 83 -3.781 12.966 -14.113 1.00 1.00 H +ATOM 1275 HG22 VAL A 83 -3.079 11.619 -13.184 1.00 1.00 H +ATOM 1276 HG23 VAL A 83 -4.664 12.285 -12.725 1.00 1.00 H +ATOM 1277 N HIS A 84 -1.179 16.056 -11.424 1.00 1.00 N +ATOM 1278 CA HIS A 84 -1.050 17.397 -10.877 1.00 1.00 C +ATOM 1279 C HIS A 84 -0.779 18.388 -12.010 1.00 1.00 C +ATOM 1280 O HIS A 84 -1.564 19.309 -12.234 1.00 1.00 O +ATOM 1281 CB HIS A 84 0.021 17.438 -9.785 1.00 1.00 C +ATOM 1282 CG HIS A 84 -0.516 17.759 -8.411 1.00 1.00 C +ATOM 1283 ND1 HIS A 84 -1.827 17.513 -8.042 1.00 1.00 N +ATOM 1284 CD2 HIS A 84 0.095 18.307 -7.321 1.00 1.00 C +ATOM 1285 CE1 HIS A 84 -1.987 17.901 -6.785 1.00 1.00 C +ATOM 1286 NE2 HIS A 84 -0.795 18.394 -6.341 1.00 1.00 N +ATOM 1287 H HIS A 84 -0.674 15.349 -10.929 1.00 1.00 H +ATOM 1288 HA HIS A 84 -2.006 17.640 -10.414 1.00 1.00 H +ATOM 1289 HB2 HIS A 84 0.526 16.473 -9.750 1.00 1.00 H +ATOM 1290 HB3 HIS A 84 0.772 18.180 -10.054 1.00 1.00 H +ATOM 1291 HD1 HIS A 84 -2.534 17.111 -8.624 1.00 1.00 H +ATOM 1292 HD2 HIS A 84 1.137 18.622 -7.266 1.00 1.00 H +ATOM 1293 HE1 HIS A 84 -2.910 17.838 -6.207 1.00 1.00 H +ATOM 1294 N HIS A 85 0.333 18.166 -12.695 1.00 1.00 N +ATOM 1295 CA HIS A 85 0.716 19.029 -13.800 1.00 1.00 C +ATOM 1296 C HIS A 85 -0.310 18.905 -14.927 1.00 1.00 C +ATOM 1297 O HIS A 85 -0.779 19.911 -15.458 1.00 1.00 O +ATOM 1298 CB HIS A 85 2.143 18.720 -14.260 1.00 1.00 C +ATOM 1299 CG HIS A 85 2.489 19.293 -15.613 1.00 1.00 C +ATOM 1300 ND1 HIS A 85 2.923 20.596 -15.788 1.00 1.00 N +ATOM 1301 CD2 HIS A 85 2.462 18.726 -16.854 1.00 1.00 C +ATOM 1302 CE1 HIS A 85 3.143 20.793 -17.079 1.00 1.00 C +ATOM 1303 NE2 HIS A 85 2.857 19.635 -17.739 1.00 1.00 N +ATOM 1304 H HIS A 85 0.965 17.414 -12.507 1.00 1.00 H +ATOM 1305 HA HIS A 85 0.704 20.050 -13.418 1.00 1.00 H +ATOM 1306 HB2 HIS A 85 2.844 19.110 -13.521 1.00 1.00 H +ATOM 1307 HB3 HIS A 85 2.279 17.640 -14.287 1.00 1.00 H +ATOM 1308 HD1 HIS A 85 3.049 21.272 -15.062 1.00 1.00 H +ATOM 1309 HD2 HIS A 85 2.167 17.702 -17.080 1.00 1.00 H +ATOM 1310 HE1 HIS A 85 3.491 21.721 -17.534 1.00 1.00 H +ATOM 1311 N HIS A 86 -0.628 17.663 -15.262 1.00 1.00 N +ATOM 1312 CA HIS A 86 -1.590 17.394 -16.318 1.00 1.00 C +ATOM 1313 C HIS A 86 -2.983 17.841 -15.868 1.00 1.00 C +ATOM 1314 O HIS A 86 -3.976 17.552 -16.533 1.00 1.00 O +ATOM 1315 CB HIS A 86 -1.544 15.923 -16.733 1.00 1.00 C +ATOM 1316 CG HIS A 86 -0.249 15.511 -17.390 1.00 1.00 C +ATOM 1317 ND1 HIS A 86 0.493 16.366 -18.188 1.00 1.00 N +ATOM 1318 CD2 HIS A 86 0.428 14.327 -17.361 1.00 1.00 C +ATOM 1319 CE1 HIS A 86 1.565 15.715 -18.613 1.00 1.00 C +ATOM 1320 NE2 HIS A 86 1.523 14.451 -18.100 1.00 1.00 N +ATOM 1321 H HIS A 86 -0.242 16.850 -14.825 1.00 1.00 H +ATOM 1322 HA HIS A 86 -1.286 17.992 -17.177 1.00 1.00 H +ATOM 1323 HB2 HIS A 86 -1.707 15.302 -15.852 1.00 1.00 H +ATOM 1324 HB3 HIS A 86 -2.368 15.724 -17.419 1.00 1.00 H +ATOM 1325 HD1 HIS A 86 0.259 17.313 -18.405 1.00 1.00 H +ATOM 1326 HD2 HIS A 86 0.121 13.431 -16.821 1.00 1.00 H +ATOM 1327 HE1 HIS A 86 2.345 16.118 -19.260 1.00 1.00 H +ATOM 1328 N SER A 87 -3.010 18.539 -14.741 1.00 1.00 N +ATOM 1329 CA SER A 87 -4.266 19.027 -14.195 1.00 1.00 C +ATOM 1330 C SER A 87 -4.716 20.276 -14.957 1.00 1.00 C +ATOM 1331 O SER A 87 -5.899 20.430 -15.257 1.00 1.00 O +ATOM 1332 CB SER A 87 -4.133 19.336 -12.703 1.00 1.00 C +ATOM 1333 OG SER A 87 -5.400 19.568 -12.091 1.00 1.00 O +ATOM 1334 H SER A 87 -2.199 18.769 -14.206 1.00 1.00 H +ATOM 1335 HA SER A 87 -4.978 18.215 -14.336 1.00 1.00 H +ATOM 1336 HB2 SER A 87 -3.637 18.504 -12.203 1.00 1.00 H +ATOM 1337 HB3 SER A 87 -3.498 20.212 -12.567 1.00 1.00 H +ATOM 1338 HG SER A 87 -5.922 20.229 -12.629 1.00 1.00 H +ATOM 1339 N THR A 88 -3.750 21.134 -15.247 1.00 1.00 N +ATOM 1340 CA THR A 88 -4.033 22.364 -15.966 1.00 1.00 C +ATOM 1341 C THR A 88 -3.107 22.498 -17.177 1.00 1.00 C +ATOM 1342 O THR A 88 -3.306 23.370 -18.022 1.00 1.00 O +ATOM 1343 CB THR A 88 -3.916 23.528 -14.981 1.00 1.00 C +ATOM 1344 OG1 THR A 88 -4.439 24.643 -15.696 1.00 1.00 O +ATOM 1345 CG2 THR A 88 -2.463 23.914 -14.700 1.00 1.00 C +ATOM 1346 H THR A 88 -2.791 21.001 -14.998 1.00 1.00 H +ATOM 1347 HA THR A 88 -5.052 22.312 -16.349 1.00 1.00 H +ATOM 1348 HB THR A 88 -4.446 23.307 -14.054 1.00 1.00 H +ATOM 1349 HG1 THR A 88 -5.394 24.474 -15.945 1.00 1.00 H +ATOM 1350 HG21 THR A 88 -1.942 24.079 -15.644 1.00 1.00 H +ATOM 1351 HG22 THR A 88 -2.437 24.828 -14.107 1.00 1.00 H +ATOM 1352 HG23 THR A 88 -1.973 23.109 -14.150 1.00 1.00 H +ATOM 1353 N VAL A 89 -2.115 21.620 -17.223 1.00 1.00 N +ATOM 1354 CA VAL A 89 -1.158 21.630 -18.317 1.00 1.00 C +ATOM 1355 C VAL A 89 -0.905 20.194 -18.778 1.00 1.00 C +ATOM 1356 O VAL A 89 0.189 19.662 -18.593 1.00 1.00 O +ATOM 1357 CB VAL A 89 0.120 22.354 -17.887 1.00 1.00 C +ATOM 1358 CG1 VAL A 89 0.062 23.837 -18.260 1.00 1.00 C +ATOM 1359 CG2 VAL A 89 0.374 22.176 -16.388 1.00 1.00 C +ATOM 1360 H VAL A 89 -1.961 20.915 -16.532 1.00 1.00 H +ATOM 1361 HA VAL A 89 -1.604 22.190 -19.139 1.00 1.00 H +ATOM 1362 HB VAL A 89 0.955 21.905 -18.424 1.00 1.00 H +ATOM 1363 HG11 VAL A 89 -0.816 24.022 -18.880 1.00 1.00 H +ATOM 1364 HG12 VAL A 89 0.000 24.438 -17.354 1.00 1.00 H +ATOM 1365 HG13 VAL A 89 0.961 24.107 -18.815 1.00 1.00 H +ATOM 1366 HG21 VAL A 89 -0.559 22.319 -15.842 1.00 1.00 H +ATOM 1367 HG22 VAL A 89 0.755 21.171 -16.201 1.00 1.00 H +ATOM 1368 HG23 VAL A 89 1.107 22.910 -16.055 1.00 1.00 H +ATOM 1369 N ALA A 90 -1.933 19.606 -19.373 1.00 1.00 N +ATOM 1370 CA ALA A 90 -1.837 18.243 -19.863 1.00 1.00 C +ATOM 1371 C ALA A 90 -0.861 18.197 -21.040 1.00 1.00 C +ATOM 1372 O ALA A 90 -1.274 18.033 -22.188 1.00 1.00 O +ATOM 1373 CB ALA A 90 -3.228 17.735 -20.240 1.00 1.00 C +ATOM 1374 H ALA A 90 -2.819 20.046 -19.519 1.00 1.00 H +ATOM 1375 HA ALA A 90 -1.444 17.626 -19.054 1.00 1.00 H +ATOM 1376 HB1 ALA A 90 -3.926 17.948 -19.428 1.00 1.00 H +ATOM 1377 HB2 ALA A 90 -3.565 18.237 -21.148 1.00 1.00 H +ATOM 1378 HB3 ALA A 90 -3.189 16.660 -20.411 1.00 1.00 H +ATOM 1379 N ASP A 91 0.416 18.346 -20.717 1.00 1.00 N +ATOM 1380 CA ASP A 91 1.452 18.324 -21.734 1.00 1.00 C +ATOM 1381 C ASP A 91 1.625 16.894 -22.251 1.00 1.00 C +ATOM 1382 O ASP A 91 2.405 16.651 -23.170 1.00 1.00 O +ATOM 1383 CB ASP A 91 2.796 18.785 -21.161 1.00 1.00 C +ATOM 1384 CG ASP A 91 3.948 17.793 -21.338 1.00 1.00 C +ATOM 1385 OD1 ASP A 91 3.827 16.678 -20.785 1.00 1.00 O +ATOM 1386 OD2 ASP A 91 4.922 18.172 -22.022 1.00 1.00 O +ATOM 1387 H ASP A 91 0.743 18.480 -19.781 1.00 1.00 H +ATOM 1388 HA ASP A 91 1.110 19.010 -22.509 1.00 1.00 H +ATOM 1389 HB2 ASP A 91 3.071 19.727 -21.634 1.00 1.00 H +ATOM 1390 HB3 ASP A 91 2.669 18.986 -20.097 1.00 1.00 H +ATOM 1391 N GLY A 92 0.882 15.984 -21.638 1.00 1.00 N +ATOM 1392 CA GLY A 92 0.942 14.585 -22.024 1.00 1.00 C +ATOM 1393 C GLY A 92 -0.462 13.999 -22.178 1.00 1.00 C +ATOM 1394 O GLY A 92 -0.814 13.492 -23.243 1.00 1.00 O +ATOM 1395 H GLY A 92 0.250 16.190 -20.891 1.00 1.00 H +ATOM 1396 HA2 GLY A 92 1.486 14.487 -22.963 1.00 1.00 H +ATOM 1397 HA3 GLY A 92 1.496 14.021 -21.273 1.00 1.00 H +ATOM 1398 N LEU A 93 -1.227 14.087 -21.100 1.00 1.00 N +ATOM 1399 CA LEU A 93 -2.586 13.570 -21.102 1.00 1.00 C +ATOM 1400 C LEU A 93 -3.432 14.375 -22.089 1.00 1.00 C +ATOM 1401 O LEU A 93 -3.199 15.568 -22.282 1.00 1.00 O +ATOM 1402 CB LEU A 93 -3.152 13.550 -19.681 1.00 1.00 C +ATOM 1403 CG LEU A 93 -2.214 13.029 -18.592 1.00 1.00 C +ATOM 1404 CD1 LEU A 93 -2.898 13.050 -17.223 1.00 1.00 C +ATOM 1405 CD2 LEU A 93 -1.679 11.641 -18.944 1.00 1.00 C +ATOM 1406 H LEU A 93 -0.934 14.500 -20.238 1.00 1.00 H +ATOM 1407 HA LEU A 93 -2.542 12.536 -21.446 1.00 1.00 H +ATOM 1408 HB2 LEU A 93 -3.456 14.562 -19.418 1.00 1.00 H +ATOM 1409 HB3 LEU A 93 -4.054 12.936 -19.679 1.00 1.00 H +ATOM 1410 HG LEU A 93 -1.356 13.698 -18.531 1.00 1.00 H +ATOM 1411 HD11 LEU A 93 -3.320 14.038 -17.041 1.00 1.00 H +ATOM 1412 HD12 LEU A 93 -3.693 12.305 -17.203 1.00 1.00 H +ATOM 1413 HD13 LEU A 93 -2.166 12.821 -16.447 1.00 1.00 H +ATOM 1414 HD21 LEU A 93 -1.602 11.545 -20.027 1.00 1.00 H +ATOM 1415 HD22 LEU A 93 -0.695 11.504 -18.495 1.00 1.00 H +ATOM 1416 HD23 LEU A 93 -2.361 10.881 -18.561 1.00 1.00 H +ATOM 1417 N ILE A 94 -4.395 13.692 -22.689 1.00 1.00 N +ATOM 1418 CA ILE A 94 -5.276 14.329 -23.653 1.00 1.00 C +ATOM 1419 C ILE A 94 -5.923 15.558 -23.011 1.00 1.00 C +ATOM 1420 O ILE A 94 -5.407 16.669 -23.132 1.00 1.00 O +ATOM 1421 CB ILE A 94 -6.286 13.320 -24.203 1.00 1.00 C +ATOM 1422 CG1 ILE A 94 -6.892 12.479 -23.077 1.00 1.00 C +ATOM 1423 CG2 ILE A 94 -5.655 12.449 -25.292 1.00 1.00 C +ATOM 1424 CD1 ILE A 94 -8.421 12.520 -23.125 1.00 1.00 C +ATOM 1425 H ILE A 94 -4.577 12.723 -22.527 1.00 1.00 H +ATOM 1426 HA ILE A 94 -4.661 14.659 -24.490 1.00 1.00 H +ATOM 1427 HB ILE A 94 -7.103 13.873 -24.667 1.00 1.00 H +ATOM 1428 HG12 ILE A 94 -6.547 11.449 -23.163 1.00 1.00 H +ATOM 1429 HG13 ILE A 94 -6.544 12.853 -22.114 1.00 1.00 H +ATOM 1430 HG21 ILE A 94 -4.680 12.857 -25.562 1.00 1.00 H +ATOM 1431 HG22 ILE A 94 -5.532 11.433 -24.919 1.00 1.00 H +ATOM 1432 HG23 ILE A 94 -6.300 12.440 -26.170 1.00 1.00 H +ATOM 1433 HD11 ILE A 94 -8.752 13.544 -23.290 1.00 1.00 H +ATOM 1434 HD12 ILE A 94 -8.775 11.886 -23.939 1.00 1.00 H +ATOM 1435 HD13 ILE A 94 -8.823 12.154 -22.180 1.00 1.00 H +ATOM 1436 N THR A 95 -7.041 15.319 -22.344 1.00 1.00 N +ATOM 1437 CA THR A 95 -7.763 16.393 -21.684 1.00 1.00 C +ATOM 1438 C THR A 95 -7.088 16.753 -20.359 1.00 1.00 C +ATOM 1439 O THR A 95 -5.869 16.637 -20.227 1.00 1.00 O +ATOM 1440 CB THR A 95 -9.220 15.955 -21.522 1.00 1.00 C +ATOM 1441 OG1 THR A 95 -9.739 16.832 -20.528 1.00 1.00 O +ATOM 1442 CG2 THR A 95 -9.347 14.564 -20.897 1.00 1.00 C +ATOM 1443 H THR A 95 -7.454 14.412 -22.250 1.00 1.00 H +ATOM 1444 HA THR A 95 -7.717 17.278 -22.317 1.00 1.00 H +ATOM 1445 HB THR A 95 -9.748 16.001 -22.475 1.00 1.00 H +ATOM 1446 HG1 THR A 95 -10.736 16.756 -20.490 1.00 1.00 H +ATOM 1447 HG21 THR A 95 -8.467 13.971 -21.145 1.00 1.00 H +ATOM 1448 HG22 THR A 95 -9.427 14.659 -19.813 1.00 1.00 H +ATOM 1449 HG23 THR A 95 -10.240 14.071 -21.284 1.00 1.00 H +ATOM 1450 N THR A 96 -7.908 17.184 -19.411 1.00 1.00 N +ATOM 1451 CA THR A 96 -7.404 17.562 -18.101 1.00 1.00 C +ATOM 1452 C THR A 96 -8.325 17.028 -17.002 1.00 1.00 C +ATOM 1453 O THR A 96 -9.510 17.357 -16.964 1.00 1.00 O +ATOM 1454 CB THR A 96 -7.248 19.084 -18.076 1.00 1.00 C +ATOM 1455 OG1 THR A 96 -8.576 19.566 -17.890 1.00 1.00 O +ATOM 1456 CG2 THR A 96 -6.833 19.652 -19.435 1.00 1.00 C +ATOM 1457 H THR A 96 -8.897 17.275 -19.527 1.00 1.00 H +ATOM 1458 HA THR A 96 -6.431 17.094 -17.959 1.00 1.00 H +ATOM 1459 HB THR A 96 -6.551 19.391 -17.297 1.00 1.00 H +ATOM 1460 HG1 THR A 96 -8.553 20.481 -17.486 1.00 1.00 H +ATOM 1461 HG21 THR A 96 -6.189 18.937 -19.946 1.00 1.00 H +ATOM 1462 HG22 THR A 96 -7.721 19.837 -20.039 1.00 1.00 H +ATOM 1463 HG23 THR A 96 -6.293 20.586 -19.288 1.00 1.00 H +ATOM 1464 N LEU A 97 -7.746 16.214 -16.133 1.00 1.00 N +ATOM 1465 CA LEU A 97 -8.498 15.631 -15.036 1.00 1.00 C +ATOM 1466 C LEU A 97 -9.717 16.507 -14.737 1.00 1.00 C +ATOM 1467 O LEU A 97 -9.598 17.727 -14.631 1.00 1.00 O +ATOM 1468 CB LEU A 97 -7.591 15.406 -13.824 1.00 1.00 C +ATOM 1469 CG LEU A 97 -6.166 15.950 -13.942 1.00 1.00 C +ATOM 1470 CD1 LEU A 97 -5.700 16.557 -12.616 1.00 1.00 C +ATOM 1471 CD2 LEU A 97 -5.207 14.871 -14.447 1.00 1.00 C +ATOM 1472 H LEU A 97 -6.780 15.952 -16.169 1.00 1.00 H +ATOM 1473 HA LEU A 97 -8.848 14.652 -15.363 1.00 1.00 H +ATOM 1474 HB2 LEU A 97 -8.063 15.861 -12.953 1.00 1.00 H +ATOM 1475 HB3 LEU A 97 -7.535 14.334 -13.631 1.00 1.00 H +ATOM 1476 HG LEU A 97 -6.167 16.753 -14.680 1.00 1.00 H +ATOM 1477 HD11 LEU A 97 -6.083 15.959 -11.789 1.00 1.00 H +ATOM 1478 HD12 LEU A 97 -4.611 16.566 -12.585 1.00 1.00 H +ATOM 1479 HD13 LEU A 97 -6.075 17.576 -12.532 1.00 1.00 H +ATOM 1480 HD21 LEU A 97 -5.667 13.890 -14.326 1.00 1.00 H +ATOM 1481 HD22 LEU A 97 -4.990 15.043 -15.501 1.00 1.00 H +ATOM 1482 HD23 LEU A 97 -4.281 14.911 -13.873 1.00 1.00 H +ATOM 1483 N HIS A 98 -10.860 15.851 -14.611 1.00 1.00 N +ATOM 1484 CA HIS A 98 -12.100 16.555 -14.327 1.00 1.00 C +ATOM 1485 C HIS A 98 -12.933 15.746 -13.329 1.00 1.00 C +ATOM 1486 O HIS A 98 -14.157 15.856 -13.305 1.00 1.00 O +ATOM 1487 CB HIS A 98 -12.859 16.861 -15.619 1.00 1.00 C +ATOM 1488 CG HIS A 98 -14.134 17.642 -15.412 1.00 1.00 C +ATOM 1489 ND1 HIS A 98 -14.202 19.018 -15.546 1.00 1.00 N +ATOM 1490 CD2 HIS A 98 -15.389 17.226 -15.079 1.00 1.00 C +ATOM 1491 CE1 HIS A 98 -15.447 19.401 -15.302 1.00 1.00 C +ATOM 1492 NE2 HIS A 98 -16.181 18.289 -15.012 1.00 1.00 N +ATOM 1493 H HIS A 98 -10.948 14.858 -14.699 1.00 1.00 H +ATOM 1494 HA HIS A 98 -11.822 17.504 -13.871 1.00 1.00 H +ATOM 1495 HB2 HIS A 98 -12.205 17.424 -16.287 1.00 1.00 H +ATOM 1496 HB3 HIS A 98 -13.095 15.924 -16.121 1.00 1.00 H +ATOM 1497 HD1 HIS A 98 -13.441 19.620 -15.787 1.00 1.00 H +ATOM 1498 HD2 HIS A 98 -15.692 16.194 -14.898 1.00 1.00 H +ATOM 1499 HE1 HIS A 98 -15.819 20.425 -15.330 1.00 1.00 H +ATOM 1500 N TYR A 99 -12.233 14.952 -12.530 1.00 1.00 N +ATOM 1501 CA TYR A 99 -12.893 14.125 -11.535 1.00 1.00 C +ATOM 1502 C TYR A 99 -11.952 13.820 -10.367 1.00 1.00 C +ATOM 1503 O TYR A 99 -11.850 12.675 -9.931 1.00 1.00 O +ATOM 1504 CB TYR A 99 -13.250 12.816 -12.241 1.00 1.00 C +ATOM 1505 CG TYR A 99 -12.328 11.647 -11.889 1.00 1.00 C +ATOM 1506 CD1 TYR A 99 -10.958 11.814 -11.929 1.00 1.00 C +ATOM 1507 CD2 TYR A 99 -12.864 10.427 -11.533 1.00 1.00 C +ATOM 1508 CE1 TYR A 99 -10.090 10.713 -11.598 1.00 1.00 C +ATOM 1509 CE2 TYR A 99 -11.997 9.327 -11.201 1.00 1.00 C +ATOM 1510 CZ TYR A 99 -10.652 9.524 -11.250 1.00 1.00 C +ATOM 1511 OH TYR A 99 -9.832 8.485 -10.937 1.00 1.00 O +ATOM 1512 H TYR A 99 -11.238 14.868 -12.558 1.00 1.00 H +ATOM 1513 HA TYR A 99 -13.758 14.674 -11.161 1.00 1.00 H +ATOM 1514 HB2 TYR A 99 -14.275 12.545 -11.987 1.00 1.00 H +ATOM 1515 HB3 TYR A 99 -13.221 12.978 -13.318 1.00 1.00 H +ATOM 1516 HD1 TYR A 99 -10.533 12.776 -12.211 1.00 1.00 H +ATOM 1517 HD2 TYR A 99 -13.947 10.296 -11.502 1.00 1.00 H +ATOM 1518 HE1 TYR A 99 -9.006 10.831 -11.624 1.00 1.00 H +ATOM 1519 HE2 TYR A 99 -12.408 8.359 -10.918 1.00 1.00 H +ATOM 1520 HH TYR A 99 -10.369 7.648 -10.824 1.00 1.00 H +ATOM 1521 N PRO A 100 -11.273 14.894 -9.880 1.00 1.00 N +ATOM 1522 CA PRO A 100 -10.344 14.752 -8.771 1.00 1.00 C +ATOM 1523 C PRO A 100 -11.093 14.584 -7.448 1.00 1.00 C +ATOM 1524 O PRO A 100 -10.492 14.658 -6.378 1.00 1.00 O +ATOM 1525 CB PRO A 100 -9.487 16.006 -8.814 1.00 1.00 C +ATOM 1526 CG PRO A 100 -10.263 17.014 -9.647 1.00 1.00 C +ATOM 1527 CD PRO A 100 -11.370 16.264 -10.372 1.00 1.00 C +ATOM 1528 HA PRO A 100 -9.795 13.924 -8.882 1.00 1.00 H +ATOM 1529 HB2 PRO A 100 -9.306 16.388 -7.809 1.00 1.00 H +ATOM 1530 HB3 PRO A 100 -8.514 15.800 -9.257 1.00 1.00 H +ATOM 1531 HG2 PRO A 100 -10.682 17.793 -9.011 1.00 1.00 H +ATOM 1532 HG3 PRO A 100 -9.603 17.506 -10.362 1.00 1.00 H +ATOM 1533 HD2 PRO A 100 -12.347 16.695 -10.154 1.00 1.00 H +ATOM 1534 HD3 PRO A 100 -11.235 16.309 -11.452 1.00 1.00 H +ATOM 1535 N ALA A 101 -12.394 14.359 -7.565 1.00 1.00 N +ATOM 1536 CA ALA A 101 -13.230 14.179 -6.391 1.00 1.00 C +ATOM 1537 C ALA A 101 -13.017 12.771 -5.828 1.00 1.00 C +ATOM 1538 O ALA A 101 -12.833 11.818 -6.585 1.00 1.00 O +ATOM 1539 CB ALA A 101 -14.692 14.444 -6.760 1.00 1.00 C +ATOM 1540 H ALA A 101 -12.874 14.298 -8.440 1.00 1.00 H +ATOM 1541 HA ALA A 101 -12.919 14.909 -5.646 1.00 1.00 H +ATOM 1542 HB1 ALA A 101 -14.739 15.231 -7.512 1.00 1.00 H +ATOM 1543 HB2 ALA A 101 -15.137 13.531 -7.158 1.00 1.00 H +ATOM 1544 HB3 ALA A 101 -15.239 14.756 -5.871 1.00 1.00 H +ATOM 1545 N PRO A 102 -13.049 12.684 -4.472 1.00 1.00 N +ATOM 1546 CA PRO A 102 -12.860 11.408 -3.800 1.00 1.00 C +ATOM 1547 C PRO A 102 -14.112 10.537 -3.920 1.00 1.00 C +ATOM 1548 O PRO A 102 -15.169 11.013 -4.329 1.00 1.00 O +ATOM 1549 CB PRO A 102 -12.523 11.769 -2.362 1.00 1.00 C +ATOM 1550 CG PRO A 102 -12.989 13.203 -2.171 1.00 1.00 C +ATOM 1551 CD PRO A 102 -13.263 13.791 -3.545 1.00 1.00 C +ATOM 1552 HA PRO A 102 -12.124 10.893 -4.235 1.00 1.00 H +ATOM 1553 HB2 PRO A 102 -13.025 11.099 -1.664 1.00 1.00 H +ATOM 1554 HB3 PRO A 102 -11.452 11.677 -2.178 1.00 1.00 H +ATOM 1555 HG2 PRO A 102 -13.888 13.234 -1.556 1.00 1.00 H +ATOM 1556 HG3 PRO A 102 -12.228 13.786 -1.652 1.00 1.00 H +ATOM 1557 HD2 PRO A 102 -14.281 14.175 -3.615 1.00 1.00 H +ATOM 1558 HD3 PRO A 102 -12.592 14.623 -3.761 1.00 1.00 H +ATOM 1559 N LYS A 103 -13.949 9.272 -3.557 1.00 1.00 N +ATOM 1560 CA LYS A 103 -15.053 8.328 -3.619 1.00 1.00 C +ATOM 1561 C LYS A 103 -15.556 8.045 -2.203 1.00 1.00 C +ATOM 1562 O LYS A 103 -14.773 7.706 -1.317 1.00 1.00 O +ATOM 1563 CB LYS A 103 -14.640 7.071 -4.387 1.00 1.00 C +ATOM 1564 CG LYS A 103 -13.589 6.275 -3.612 1.00 1.00 C +ATOM 1565 CD LYS A 103 -12.209 6.411 -4.259 1.00 1.00 C +ATOM 1566 CE LYS A 103 -11.367 7.467 -3.540 1.00 1.00 C +ATOM 1567 NZ LYS A 103 -9.964 7.012 -3.414 1.00 1.00 N +ATOM 1568 H LYS A 103 -13.086 8.893 -3.226 1.00 1.00 H +ATOM 1569 HA LYS A 103 -15.857 8.802 -4.184 1.00 1.00 H +ATOM 1570 HB2 LYS A 103 -15.515 6.447 -4.568 1.00 1.00 H +ATOM 1571 HB3 LYS A 103 -14.242 7.351 -5.363 1.00 1.00 H +ATOM 1572 HG2 LYS A 103 -13.546 6.629 -2.581 1.00 1.00 H +ATOM 1573 HG3 LYS A 103 -13.876 5.225 -3.577 1.00 1.00 H +ATOM 1574 HD2 LYS A 103 -11.696 5.451 -4.233 1.00 1.00 H +ATOM 1575 HD3 LYS A 103 -12.322 6.684 -5.308 1.00 1.00 H +ATOM 1576 HE2 LYS A 103 -11.404 8.406 -4.090 1.00 1.00 H +ATOM 1577 HE3 LYS A 103 -11.782 7.659 -2.551 1.00 1.00 H +ATOM 1578 HZ1 LYS A 103 -9.696 6.525 -4.245 1.00 1.00 H +ATOM 1579 HZ2 LYS A 103 -9.367 7.804 -3.286 1.00 1.00 H +ATOM 1580 HZ3 LYS A 103 -9.881 6.400 -2.627 1.00 1.00 H +ATOM 1581 N ARG A 104 -16.862 8.196 -2.032 1.00 1.00 N +ATOM 1582 CA ARG A 104 -17.479 7.961 -0.738 1.00 1.00 C +ATOM 1583 C ARG A 104 -18.100 6.565 -0.691 1.00 1.00 C +ATOM 1584 O ARG A 104 -17.890 5.818 0.264 1.00 1.00 O +ATOM 1585 CB ARG A 104 -18.562 9.004 -0.447 1.00 1.00 C +ATOM 1586 CG ARG A 104 -19.436 8.569 0.732 1.00 1.00 C +ATOM 1587 CD ARG A 104 -19.584 9.702 1.750 1.00 1.00 C +ATOM 1588 NE ARG A 104 -20.909 10.346 1.603 1.00 1.00 N +ATOM 1589 CZ ARG A 104 -21.120 11.664 1.726 1.00 1.00 C +ATOM 1590 NH1 ARG A 104 -20.098 12.485 2.000 1.00 1.00 N +ATOM 1591 NH2 ARG A 104 -22.357 12.159 1.576 1.00 1.00 N +ATOM 1592 H ARG A 104 -17.492 8.474 -2.757 1.00 1.00 H +ATOM 1593 HA ARG A 104 -16.665 8.053 -0.020 1.00 1.00 H +ATOM 1594 HB2 ARG A 104 -18.097 9.964 -0.226 1.00 1.00 H +ATOM 1595 HB3 ARG A 104 -19.183 9.144 -1.332 1.00 1.00 H +ATOM 1596 HG2 ARG A 104 -20.420 8.272 0.368 1.00 1.00 H +ATOM 1597 HG3 ARG A 104 -18.996 7.697 1.215 1.00 1.00 H +ATOM 1598 HD2 ARG A 104 -19.472 9.311 2.761 1.00 1.00 H +ATOM 1599 HD3 ARG A 104 -18.794 10.439 1.604 1.00 1.00 H +ATOM 1600 HE ARG A 104 -21.694 9.762 1.398 1.00 1.00 H +ATOM 1601 HH11 ARG A 104 -19.176 12.115 2.111 1.00 1.00 H +ATOM 1602 HH12 ARG A 104 -20.257 13.468 2.091 1.00 1.00 H +ATOM 1603 HH21 ARG A 104 -23.120 11.548 1.372 1.00 1.00 H +ATOM 1604 HH22 ARG A 104 -22.515 13.143 1.668 1.00 1.00 H +ATOM 1605 N GLY A 105 -18.855 6.251 -1.735 1.00 1.00 N +ATOM 1606 CA GLY A 105 -19.507 4.956 -1.826 1.00 1.00 C +ATOM 1607 C GLY A 105 -18.484 3.841 -2.048 1.00 1.00 C +ATOM 1608 O GLY A 105 -18.145 3.522 -3.187 1.00 1.00 O +ATOM 1609 H GLY A 105 -19.020 6.864 -2.508 1.00 1.00 H +ATOM 1610 HA2 GLY A 105 -20.068 4.763 -0.913 1.00 1.00 H +ATOM 1611 HA3 GLY A 105 -20.225 4.965 -2.647 1.00 1.00 H +ATOM 1612 N ILE A 106 -18.020 3.278 -0.943 1.00 1.00 N +ATOM 1613 CA ILE A 106 -17.042 2.206 -1.002 1.00 1.00 C +ATOM 1614 C ILE A 106 -17.768 0.858 -0.965 1.00 1.00 C +ATOM 1615 O ILE A 106 -17.695 0.084 -1.918 1.00 1.00 O +ATOM 1616 CB ILE A 106 -15.998 2.371 0.105 1.00 1.00 C +ATOM 1617 CG1 ILE A 106 -15.252 3.698 -0.042 1.00 1.00 C +ATOM 1618 CG2 ILE A 106 -15.042 1.177 0.139 1.00 1.00 C +ATOM 1619 CD1 ILE A 106 -15.509 4.606 1.163 1.00 1.00 C +ATOM 1620 H ILE A 106 -18.301 3.544 -0.020 1.00 1.00 H +ATOM 1621 HA ILE A 106 -16.521 2.291 -1.954 1.00 1.00 H +ATOM 1622 HB ILE A 106 -16.516 2.396 1.063 1.00 1.00 H +ATOM 1623 HG12 ILE A 106 -14.183 3.510 -0.137 1.00 1.00 H +ATOM 1624 HG13 ILE A 106 -15.570 4.200 -0.955 1.00 1.00 H +ATOM 1625 HG21 ILE A 106 -15.515 0.319 -0.339 1.00 1.00 H +ATOM 1626 HG22 ILE A 106 -14.126 1.429 -0.394 1.00 1.00 H +ATOM 1627 HG23 ILE A 106 -14.805 0.931 1.174 1.00 1.00 H +ATOM 1628 HD11 ILE A 106 -16.539 4.484 1.497 1.00 1.00 H +ATOM 1629 HD12 ILE A 106 -14.830 4.337 1.973 1.00 1.00 H +ATOM 1630 HD13 ILE A 106 -15.340 5.645 0.878 1.00 1.00 H +ATOM 1631 N HIS A 107 -18.450 0.619 0.145 1.00 1.00 N +ATOM 1632 CA HIS A 107 -19.188 -0.621 0.318 1.00 1.00 C +ATOM 1633 C HIS A 107 -19.965 -0.577 1.634 1.00 1.00 C +ATOM 1634 O HIS A 107 -19.765 -1.421 2.507 1.00 1.00 O +ATOM 1635 CB HIS A 107 -18.251 -1.827 0.222 1.00 1.00 C +ATOM 1636 CG HIS A 107 -17.485 -2.112 1.491 1.00 1.00 C +ATOM 1637 ND1 HIS A 107 -17.680 -3.258 2.244 1.00 1.00 N +ATOM 1638 CD2 HIS A 107 -16.522 -1.390 2.132 1.00 1.00 C +ATOM 1639 CE1 HIS A 107 -16.865 -3.216 3.288 1.00 1.00 C +ATOM 1640 NE2 HIS A 107 -16.149 -2.057 3.217 1.00 1.00 N +ATOM 1641 H HIS A 107 -18.505 1.253 0.917 1.00 1.00 H +ATOM 1642 HA HIS A 107 -19.895 -0.683 -0.510 1.00 1.00 H +ATOM 1643 HB2 HIS A 107 -18.838 -2.708 -0.042 1.00 1.00 H +ATOM 1644 HB3 HIS A 107 -17.543 -1.660 -0.589 1.00 1.00 H +ATOM 1645 HD1 HIS A 107 -18.326 -3.992 2.035 1.00 1.00 H +ATOM 1646 HD2 HIS A 107 -16.126 -0.428 1.807 1.00 1.00 H +ATOM 1647 HE1 HIS A 107 -16.782 -3.973 4.066 1.00 1.00 H +ATOM 1648 N ARG A 108 -20.836 0.417 1.737 1.00 1.00 N +ATOM 1649 CA ARG A 108 -21.645 0.582 2.933 1.00 1.00 C +ATOM 1650 C ARG A 108 -23.070 0.997 2.558 1.00 1.00 C +ATOM 1651 O ARG A 108 -23.263 1.943 1.796 1.00 1.00 O +ATOM 1652 CB ARG A 108 -21.042 1.637 3.865 1.00 1.00 C +ATOM 1653 CG ARG A 108 -20.457 0.988 5.121 1.00 1.00 C +ATOM 1654 CD ARG A 108 -18.967 1.307 5.259 1.00 1.00 C +ATOM 1655 NE ARG A 108 -18.529 1.083 6.654 1.00 1.00 N +ATOM 1656 CZ ARG A 108 -17.412 1.602 7.183 1.00 1.00 C +ATOM 1657 NH1 ARG A 108 -16.614 2.376 6.437 1.00 1.00 N +ATOM 1658 NH2 ARG A 108 -17.094 1.344 8.460 1.00 1.00 N +ATOM 1659 H ARG A 108 -20.993 1.099 1.024 1.00 1.00 H +ATOM 1660 HA ARG A 108 -21.635 -0.396 3.413 1.00 1.00 H +ATOM 1661 HB2 ARG A 108 -20.262 2.187 3.339 1.00 1.00 H +ATOM 1662 HB3 ARG A 108 -21.808 2.359 4.146 1.00 1.00 H +ATOM 1663 HG2 ARG A 108 -20.991 1.344 6.001 1.00 1.00 H +ATOM 1664 HG3 ARG A 108 -20.599 -0.091 5.077 1.00 1.00 H +ATOM 1665 HD2 ARG A 108 -18.388 0.679 4.582 1.00 1.00 H +ATOM 1666 HD3 ARG A 108 -18.780 2.341 4.972 1.00 1.00 H +ATOM 1667 HE ARG A 108 -19.102 0.508 7.240 1.00 1.00 H +ATOM 1668 HH11 ARG A 108 -16.852 2.567 5.484 1.00 1.00 H +ATOM 1669 HH12 ARG A 108 -15.780 2.762 6.832 1.00 1.00 H +ATOM 1670 HH21 ARG A 108 -17.690 0.765 9.017 1.00 1.00 H +ATOM 1671 HH22 ARG A 108 -16.260 1.730 8.855 1.00 1.00 H +ATOM 1672 N ASP A 109 -24.028 0.271 3.111 1.00 1.00 N +ATOM 1673 CA ASP A 109 -25.428 0.551 2.845 1.00 1.00 C +ATOM 1674 C ASP A 109 -25.660 2.063 2.896 1.00 1.00 C +ATOM 1675 O ASP A 109 -24.679 2.796 2.649 1.00 1.00 O +ATOM 1676 CB ASP A 109 -26.331 -0.101 3.894 1.00 1.00 C +ATOM 1677 CG ASP A 109 -26.253 -1.628 3.954 1.00 1.00 C +ATOM 1678 OD1 ASP A 109 -26.298 -2.222 2.809 1.00 1.00 O +ATOM 1679 OD2 ASP A 109 -26.156 -2.220 5.039 1.00 1.00 O +ATOM 1680 OXT ASP A 109 -26.770 2.515 3.170 1.00 1.00 O +ATOM 1681 H ASP A 109 -23.861 -0.497 3.731 1.00 1.00 H +ATOM 1682 HA ASP A 109 -25.621 0.133 1.857 1.00 1.00 H +ATOM 1683 HB2 ASP A 109 -26.072 0.301 4.873 1.00 1.00 H +ATOM 1684 HB3 ASP A 109 -27.363 0.189 3.693 1.00 1.00 H +TER 1685 ASP A 109 +ENDMDL +MODEL 3 +ATOM 1 N GLY A 1 6.667 -1.830 0.886 1.00 1.00 N +ATOM 2 CA GLY A 1 7.406 -1.578 2.111 1.00 1.00 C +ATOM 3 C GLY A 1 6.718 -0.502 2.954 1.00 1.00 C +ATOM 4 O GLY A 1 5.584 -0.684 3.394 1.00 1.00 O +ATOM 5 H1 GLY A 1 5.687 -1.975 1.104 1.00 1.00 H +ATOM 6 H2 GLY A 1 6.761 -1.035 0.265 1.00 1.00 H +ATOM 7 H3 GLY A 1 7.037 -2.658 0.432 1.00 1.00 H +ATOM 8 HA2 GLY A 1 7.486 -2.500 2.687 1.00 1.00 H +ATOM 9 HA3 GLY A 1 8.421 -1.262 1.870 1.00 1.00 H +ATOM 10 N SER A 2 7.433 0.596 3.153 1.00 1.00 N +ATOM 11 CA SER A 2 6.905 1.700 3.935 1.00 1.00 C +ATOM 12 C SER A 2 5.947 2.534 3.081 1.00 1.00 C +ATOM 13 O SER A 2 4.778 2.696 3.431 1.00 1.00 O +ATOM 14 CB SER A 2 8.034 2.578 4.479 1.00 1.00 C +ATOM 15 OG SER A 2 7.536 3.694 5.212 1.00 1.00 O +ATOM 16 H SER A 2 8.354 0.735 2.792 1.00 1.00 H +ATOM 17 HA SER A 2 6.373 1.238 4.765 1.00 1.00 H +ATOM 18 HB2 SER A 2 8.680 1.980 5.123 1.00 1.00 H +ATOM 19 HB3 SER A 2 8.647 2.933 3.651 1.00 1.00 H +ATOM 20 HG SER A 2 6.705 4.044 4.781 1.00 1.00 H +ATOM 21 N GLY A 3 6.477 3.045 1.981 1.00 1.00 N +ATOM 22 CA GLY A 3 5.684 3.859 1.075 1.00 1.00 C +ATOM 23 C GLY A 3 4.834 2.983 0.153 1.00 1.00 C +ATOM 24 O GLY A 3 3.606 3.058 0.179 1.00 1.00 O +ATOM 25 H GLY A 3 7.429 2.910 1.703 1.00 1.00 H +ATOM 26 HA2 GLY A 3 5.040 4.523 1.649 1.00 1.00 H +ATOM 27 HA3 GLY A 3 6.341 4.490 0.477 1.00 1.00 H +ATOM 28 N ASN A 4 5.520 2.173 -0.640 1.00 1.00 N +ATOM 29 CA ASN A 4 4.842 1.283 -1.568 1.00 1.00 C +ATOM 30 C ASN A 4 3.653 2.016 -2.192 1.00 1.00 C +ATOM 31 O ASN A 4 3.804 2.712 -3.194 1.00 1.00 O +ATOM 32 CB ASN A 4 4.310 0.042 -0.851 1.00 1.00 C +ATOM 33 CG ASN A 4 4.066 0.326 0.632 1.00 1.00 C +ATOM 34 OD1 ASN A 4 4.955 0.721 1.369 1.00 1.00 O +ATOM 35 ND2 ASN A 4 2.816 0.102 1.027 1.00 1.00 N +ATOM 36 H ASN A 4 6.518 2.118 -0.655 1.00 1.00 H +ATOM 37 HA ASN A 4 5.597 1.011 -2.305 1.00 1.00 H +ATOM 38 HB2 ASN A 4 3.380 -0.284 -1.321 1.00 1.00 H +ATOM 39 HB3 ASN A 4 5.023 -0.777 -0.955 1.00 1.00 H +ATOM 40 HD21 ASN A 4 2.134 -0.223 0.371 1.00 1.00 H +ATOM 41 HD22 ASN A 4 2.558 0.259 1.981 1.00 1.00 H +ATOM 42 N SER A 5 2.495 1.833 -1.574 1.00 1.00 N +ATOM 43 CA SER A 5 1.280 2.466 -2.055 1.00 1.00 C +ATOM 44 C SER A 5 0.520 3.097 -0.887 1.00 1.00 C +ATOM 45 O SER A 5 0.704 2.702 0.264 1.00 1.00 O +ATOM 46 CB SER A 5 0.388 1.463 -2.789 1.00 1.00 C +ATOM 47 OG SER A 5 -0.374 0.667 -1.885 1.00 1.00 O +ATOM 48 H SER A 5 2.380 1.263 -0.759 1.00 1.00 H +ATOM 49 HA SER A 5 1.613 3.234 -2.754 1.00 1.00 H +ATOM 50 HB2 SER A 5 -0.286 1.998 -3.459 1.00 1.00 H +ATOM 51 HB3 SER A 5 1.006 0.814 -3.411 1.00 1.00 H +ATOM 52 HG SER A 5 -0.011 0.758 -0.958 1.00 1.00 H +ATOM 53 N LEU A 6 -0.318 4.067 -1.223 1.00 1.00 N +ATOM 54 CA LEU A 6 -1.107 4.756 -0.216 1.00 1.00 C +ATOM 55 C LEU A 6 -2.208 5.567 -0.903 1.00 1.00 C +ATOM 56 O LEU A 6 -2.222 5.688 -2.126 1.00 1.00 O +ATOM 57 CB LEU A 6 -0.205 5.591 0.693 1.00 1.00 C +ATOM 58 CG LEU A 6 0.649 6.654 -0.002 1.00 1.00 C +ATOM 59 CD1 LEU A 6 1.034 7.770 0.970 1.00 1.00 C +ATOM 60 CD2 LEU A 6 1.874 6.026 -0.667 1.00 1.00 C +ATOM 61 H LEU A 6 -0.463 4.382 -2.161 1.00 1.00 H +ATOM 62 HA LEU A 6 -1.577 3.996 0.408 1.00 1.00 H +ATOM 63 HB2 LEU A 6 -0.828 6.084 1.439 1.00 1.00 H +ATOM 64 HB3 LEU A 6 0.461 4.915 1.231 1.00 1.00 H +ATOM 65 HG LEU A 6 0.051 7.109 -0.792 1.00 1.00 H +ATOM 66 HD11 LEU A 6 0.226 7.924 1.686 1.00 1.00 H +ATOM 67 HD12 LEU A 6 1.943 7.491 1.503 1.00 1.00 H +ATOM 68 HD13 LEU A 6 1.208 8.692 0.415 1.00 1.00 H +ATOM 69 HD21 LEU A 6 2.102 5.075 -0.185 1.00 1.00 H +ATOM 70 HD22 LEU A 6 1.668 5.856 -1.724 1.00 1.00 H +ATOM 71 HD23 LEU A 6 2.727 6.697 -0.566 1.00 1.00 H +ATOM 72 N GLU A 7 -3.100 6.104 -0.085 1.00 1.00 N +ATOM 73 CA GLU A 7 -4.202 6.901 -0.600 1.00 1.00 C +ATOM 74 C GLU A 7 -3.703 8.281 -1.029 1.00 1.00 C +ATOM 75 O GLU A 7 -4.080 9.293 -0.440 1.00 1.00 O +ATOM 76 CB GLU A 7 -5.322 7.021 0.435 1.00 1.00 C +ATOM 77 CG GLU A 7 -6.601 6.337 -0.057 1.00 1.00 C +ATOM 78 CD GLU A 7 -7.653 6.280 1.051 1.00 1.00 C +ATOM 79 OE1 GLU A 7 -8.164 7.419 1.378 1.00 1.00 O +ATOM 80 OE2 GLU A 7 -7.955 5.192 1.564 1.00 1.00 O +ATOM 81 H GLU A 7 -3.082 6.001 0.909 1.00 1.00 H +ATOM 82 HA GLU A 7 -4.574 6.355 -1.466 1.00 1.00 H +ATOM 83 HB2 GLU A 7 -5.004 6.570 1.375 1.00 1.00 H +ATOM 84 HB3 GLU A 7 -5.523 8.072 0.639 1.00 1.00 H +ATOM 85 HG2 GLU A 7 -6.999 6.879 -0.915 1.00 1.00 H +ATOM 86 HG3 GLU A 7 -6.368 5.328 -0.396 1.00 1.00 H +ATOM 87 N LYS A 8 -2.861 8.280 -2.052 1.00 1.00 N +ATOM 88 CA LYS A 8 -2.307 9.519 -2.568 1.00 1.00 C +ATOM 89 C LYS A 8 -3.434 10.534 -2.768 1.00 1.00 C +ATOM 90 O LYS A 8 -3.808 11.245 -1.836 1.00 1.00 O +ATOM 91 CB LYS A 8 -1.486 9.255 -3.831 1.00 1.00 C +ATOM 92 CG LYS A 8 -1.098 10.566 -4.518 1.00 1.00 C +ATOM 93 CD LYS A 8 -0.546 11.572 -3.507 1.00 1.00 C +ATOM 94 CE LYS A 8 0.820 11.125 -2.980 1.00 1.00 C +ATOM 95 NZ LYS A 8 0.657 10.118 -1.907 1.00 1.00 N +ATOM 96 H LYS A 8 -2.560 7.451 -2.525 1.00 1.00 H +ATOM 97 HA LYS A 8 -1.622 9.908 -1.815 1.00 1.00 H +ATOM 98 HB2 LYS A 8 -0.586 8.695 -3.575 1.00 1.00 H +ATOM 99 HB3 LYS A 8 -2.061 8.636 -4.521 1.00 1.00 H +ATOM 100 HG2 LYS A 8 -0.352 10.370 -5.288 1.00 1.00 H +ATOM 101 HG3 LYS A 8 -1.969 10.989 -5.019 1.00 1.00 H +ATOM 102 HD2 LYS A 8 -0.454 12.552 -3.976 1.00 1.00 H +ATOM 103 HD3 LYS A 8 -1.243 11.679 -2.677 1.00 1.00 H +ATOM 104 HE2 LYS A 8 1.410 10.705 -3.794 1.00 1.00 H +ATOM 105 HE3 LYS A 8 1.369 11.986 -2.599 1.00 1.00 H +ATOM 106 HZ1 LYS A 8 0.025 9.394 -2.217 1.00 1.00 H +ATOM 107 HZ2 LYS A 8 1.538 9.684 -1.657 1.00 1.00 H +ATOM 108 HZ3 LYS A 8 0.281 10.564 -1.083 1.00 1.00 H +ATOM 109 N HIS A 9 -3.945 10.569 -3.990 1.00 1.00 N +ATOM 110 CA HIS A 9 -5.023 11.485 -4.325 1.00 1.00 C +ATOM 111 C HIS A 9 -6.337 10.710 -4.441 1.00 1.00 C +ATOM 112 O HIS A 9 -6.387 9.517 -4.144 1.00 1.00 O +ATOM 113 CB HIS A 9 -4.689 12.277 -5.589 1.00 1.00 C +ATOM 114 CG HIS A 9 -3.499 13.197 -5.442 1.00 1.00 C +ATOM 115 ND1 HIS A 9 -2.829 13.368 -4.244 1.00 1.00 N +ATOM 116 CD2 HIS A 9 -2.868 13.990 -6.354 1.00 1.00 C +ATOM 117 CE1 HIS A 9 -1.841 14.228 -4.437 1.00 1.00 C +ATOM 118 NE2 HIS A 9 -1.867 14.614 -5.745 1.00 1.00 N +ATOM 119 H HIS A 9 -3.635 9.988 -4.743 1.00 1.00 H +ATOM 120 HA HIS A 9 -5.100 12.192 -3.499 1.00 1.00 H +ATOM 121 HB2 HIS A 9 -4.498 11.580 -6.404 1.00 1.00 H +ATOM 122 HB3 HIS A 9 -5.558 12.869 -5.875 1.00 1.00 H +ATOM 123 HD1 HIS A 9 -3.052 12.918 -3.378 1.00 1.00 H +ATOM 124 HD2 HIS A 9 -3.140 14.094 -7.405 1.00 1.00 H +ATOM 125 HE1 HIS A 9 -1.131 14.571 -3.684 1.00 1.00 H +ATOM 126 N SER A 10 -7.369 11.419 -4.872 1.00 1.00 N +ATOM 127 CA SER A 10 -8.680 10.814 -5.031 1.00 1.00 C +ATOM 128 C SER A 10 -8.734 10.018 -6.337 1.00 1.00 C +ATOM 129 O SER A 10 -9.802 9.563 -6.746 1.00 1.00 O +ATOM 130 CB SER A 10 -9.784 11.873 -5.008 1.00 1.00 C +ATOM 131 OG SER A 10 -9.642 12.813 -6.070 1.00 1.00 O +ATOM 132 H SER A 10 -7.321 12.389 -5.111 1.00 1.00 H +ATOM 133 HA SER A 10 -8.798 10.150 -4.173 1.00 1.00 H +ATOM 134 HB2 SER A 10 -10.756 11.386 -5.083 1.00 1.00 H +ATOM 135 HB3 SER A 10 -9.763 12.398 -4.055 1.00 1.00 H +ATOM 136 HG SER A 10 -10.527 12.975 -6.505 1.00 1.00 H +ATOM 137 N TRP A 11 -7.571 9.874 -6.953 1.00 1.00 N +ATOM 138 CA TRP A 11 -7.472 9.141 -8.204 1.00 1.00 C +ATOM 139 C TRP A 11 -6.454 8.015 -8.013 1.00 1.00 C +ATOM 140 O TRP A 11 -6.213 7.229 -8.928 1.00 1.00 O +ATOM 141 CB TRP A 11 -7.118 10.077 -9.361 1.00 1.00 C +ATOM 142 CG TRP A 11 -5.972 11.042 -9.053 1.00 1.00 C +ATOM 143 CD1 TRP A 11 -6.033 12.371 -8.891 1.00 1.00 C +ATOM 144 CD2 TRP A 11 -4.582 10.697 -8.877 1.00 1.00 C +ATOM 145 NE1 TRP A 11 -4.789 12.905 -8.624 1.00 1.00 N +ATOM 146 CE2 TRP A 11 -3.879 11.855 -8.614 1.00 1.00 C +ATOM 147 CE3 TRP A 11 -3.941 9.447 -8.936 1.00 1.00 C +ATOM 148 CZ2 TRP A 11 -2.497 11.879 -8.391 1.00 1.00 C +ATOM 149 CZ3 TRP A 11 -2.559 9.488 -8.710 1.00 1.00 C +ATOM 150 CH2 TRP A 11 -1.836 10.644 -8.445 1.00 1.00 C +ATOM 151 H TRP A 11 -6.708 10.247 -6.612 1.00 1.00 H +ATOM 152 HA TRP A 11 -8.454 8.722 -8.423 1.00 1.00 H +ATOM 153 HB2 TRP A 11 -6.851 9.476 -10.231 1.00 1.00 H +ATOM 154 HB3 TRP A 11 -8.003 10.653 -9.631 1.00 1.00 H +ATOM 155 HD1 TRP A 11 -6.950 12.956 -8.962 1.00 1.00 H +ATOM 156 HE1 TRP A 11 -4.562 13.957 -8.452 1.00 1.00 H +ATOM 157 HE3 TRP A 11 -4.472 8.518 -9.141 1.00 1.00 H +ATOM 158 HZ2 TRP A 11 -1.964 12.807 -8.186 1.00 1.00 H +ATOM 159 HZ3 TRP A 11 -2.011 8.546 -8.744 1.00 1.00 H +ATOM 160 HH2 TRP A 11 -0.761 10.593 -8.279 1.00 1.00 H +ATOM 161 N TYR A 12 -5.884 7.973 -6.818 1.00 1.00 N +ATOM 162 CA TYR A 12 -4.896 6.955 -6.495 1.00 1.00 C +ATOM 163 C TYR A 12 -5.421 6.005 -5.418 1.00 1.00 C +ATOM 164 O TYR A 12 -5.271 6.270 -4.226 1.00 1.00 O +ATOM 165 CB TYR A 12 -3.680 7.706 -5.949 1.00 1.00 C +ATOM 166 CG TYR A 12 -2.353 6.970 -6.144 1.00 1.00 C +ATOM 167 CD1 TYR A 12 -2.304 5.596 -6.023 1.00 1.00 C +ATOM 168 CD2 TYR A 12 -1.208 7.678 -6.442 1.00 1.00 C +ATOM 169 CE1 TYR A 12 -1.056 4.901 -6.205 1.00 1.00 C +ATOM 170 CE2 TYR A 12 0.040 6.983 -6.626 1.00 1.00 C +ATOM 171 CZ TYR A 12 0.054 5.629 -6.498 1.00 1.00 C +ATOM 172 OH TYR A 12 1.234 4.973 -6.672 1.00 1.00 O +ATOM 173 H TYR A 12 -6.085 8.615 -6.079 1.00 1.00 H +ATOM 174 HA TYR A 12 -4.690 6.387 -7.403 1.00 1.00 H +ATOM 175 HB2 TYR A 12 -3.617 8.681 -6.436 1.00 1.00 H +ATOM 176 HB3 TYR A 12 -3.828 7.891 -4.885 1.00 1.00 H +ATOM 177 HD1 TYR A 12 -3.209 5.035 -5.787 1.00 1.00 H +ATOM 178 HD2 TYR A 12 -1.247 8.763 -6.538 1.00 1.00 H +ATOM 179 HE1 TYR A 12 -1.003 3.817 -6.112 1.00 1.00 H +ATOM 180 HE2 TYR A 12 0.953 7.530 -6.861 1.00 1.00 H +ATOM 181 HH TYR A 12 1.063 4.006 -6.855 1.00 1.00 H +ATOM 182 N HIS A 13 -6.023 4.918 -5.876 1.00 1.00 N +ATOM 183 CA HIS A 13 -6.570 3.926 -4.966 1.00 1.00 C +ATOM 184 C HIS A 13 -5.945 2.561 -5.259 1.00 1.00 C +ATOM 185 O HIS A 13 -6.196 1.593 -4.541 1.00 1.00 O +ATOM 186 CB HIS A 13 -8.100 3.907 -5.038 1.00 1.00 C +ATOM 187 CG HIS A 13 -8.645 3.601 -6.413 1.00 1.00 C +ATOM 188 ND1 HIS A 13 -9.151 2.360 -6.759 1.00 1.00 N +ATOM 189 CD2 HIS A 13 -8.760 4.387 -7.522 1.00 1.00 C +ATOM 190 CE1 HIS A 13 -9.548 2.408 -8.023 1.00 1.00 C +ATOM 191 NE2 HIS A 13 -9.304 3.665 -8.494 1.00 1.00 N +ATOM 192 H HIS A 13 -6.142 4.710 -6.847 1.00 1.00 H +ATOM 193 HA HIS A 13 -6.290 4.236 -3.959 1.00 1.00 H +ATOM 194 HB2 HIS A 13 -8.476 3.165 -4.335 1.00 1.00 H +ATOM 195 HB3 HIS A 13 -8.481 4.876 -4.715 1.00 1.00 H +ATOM 196 HD1 HIS A 13 -9.207 1.563 -6.159 1.00 1.00 H +ATOM 197 HD2 HIS A 13 -8.455 5.431 -7.597 1.00 1.00 H +ATOM 198 HE1 HIS A 13 -9.992 1.588 -8.586 1.00 1.00 H +ATOM 199 N GLY A 14 -5.146 2.526 -6.314 1.00 1.00 N +ATOM 200 CA GLY A 14 -4.483 1.295 -6.710 1.00 1.00 C +ATOM 201 C GLY A 14 -4.730 0.992 -8.190 1.00 1.00 C +ATOM 202 O GLY A 14 -5.206 1.849 -8.931 1.00 1.00 O +ATOM 203 H GLY A 14 -4.948 3.318 -6.891 1.00 1.00 H +ATOM 204 HA2 GLY A 14 -3.412 1.380 -6.526 1.00 1.00 H +ATOM 205 HA3 GLY A 14 -4.846 0.469 -6.100 1.00 1.00 H +ATOM 206 N PRO A 15 -4.387 -0.264 -8.583 1.00 1.00 N +ATOM 207 CA PRO A 15 -4.565 -0.692 -9.960 1.00 1.00 C +ATOM 208 C PRO A 15 -6.041 -0.963 -10.262 1.00 1.00 C +ATOM 209 O PRO A 15 -6.715 -1.662 -9.506 1.00 1.00 O +ATOM 210 CB PRO A 15 -3.694 -1.928 -10.105 1.00 1.00 C +ATOM 211 CG PRO A 15 -3.423 -2.415 -8.691 1.00 1.00 C +ATOM 212 CD PRO A 15 -3.820 -1.306 -7.731 1.00 1.00 C +ATOM 213 HA PRO A 15 -4.287 0.034 -10.588 1.00 1.00 H +ATOM 214 HB2 PRO A 15 -4.196 -2.694 -10.694 1.00 1.00 H +ATOM 215 HB3 PRO A 15 -2.762 -1.690 -10.621 1.00 1.00 H +ATOM 216 HG2 PRO A 15 -3.994 -3.322 -8.485 1.00 1.00 H +ATOM 217 HG3 PRO A 15 -2.369 -2.667 -8.569 1.00 1.00 H +ATOM 218 HD2 PRO A 15 -4.548 -1.658 -6.999 1.00 1.00 H +ATOM 219 HD3 PRO A 15 -2.960 -0.937 -7.174 1.00 1.00 H +ATOM 220 N VAL A 16 -6.501 -0.397 -11.368 1.00 1.00 N +ATOM 221 CA VAL A 16 -7.883 -0.568 -11.780 1.00 1.00 C +ATOM 222 C VAL A 16 -7.921 -1.121 -13.205 1.00 1.00 C +ATOM 223 O VAL A 16 -7.208 -0.637 -14.082 1.00 1.00 O +ATOM 224 CB VAL A 16 -8.641 0.752 -11.630 1.00 1.00 C +ATOM 225 CG1 VAL A 16 -8.072 1.821 -12.563 1.00 1.00 C +ATOM 226 CG2 VAL A 16 -10.139 0.554 -11.871 1.00 1.00 C +ATOM 227 H VAL A 16 -5.944 0.171 -11.976 1.00 1.00 H +ATOM 228 HA VAL A 16 -8.337 -1.297 -11.108 1.00 1.00 H +ATOM 229 HB VAL A 16 -8.510 1.099 -10.605 1.00 1.00 H +ATOM 230 HG11 VAL A 16 -7.860 1.378 -13.537 1.00 1.00 H +ATOM 231 HG12 VAL A 16 -8.798 2.625 -12.681 1.00 1.00 H +ATOM 232 HG13 VAL A 16 -7.151 2.222 -12.139 1.00 1.00 H +ATOM 233 HG21 VAL A 16 -10.419 -0.464 -11.601 1.00 1.00 H +ATOM 234 HG22 VAL A 16 -10.702 1.259 -11.260 1.00 1.00 H +ATOM 235 HG23 VAL A 16 -10.363 0.727 -12.924 1.00 1.00 H +ATOM 236 N SER A 17 -8.762 -2.127 -13.393 1.00 1.00 N +ATOM 237 CA SER A 17 -8.903 -2.751 -14.697 1.00 1.00 C +ATOM 238 C SER A 17 -9.495 -1.753 -15.693 1.00 1.00 C +ATOM 239 O SER A 17 -10.416 -1.008 -15.359 1.00 1.00 O +ATOM 240 CB SER A 17 -9.778 -4.004 -14.617 1.00 1.00 C +ATOM 241 OG SER A 17 -10.934 -3.798 -13.810 1.00 1.00 O +ATOM 242 H SER A 17 -9.340 -2.516 -12.675 1.00 1.00 H +ATOM 243 HA SER A 17 -7.892 -3.034 -14.993 1.00 1.00 H +ATOM 244 HB2 SER A 17 -10.086 -4.297 -15.621 1.00 1.00 H +ATOM 245 HB3 SER A 17 -9.195 -4.829 -14.209 1.00 1.00 H +ATOM 246 HG SER A 17 -11.029 -2.825 -13.591 1.00 1.00 H +ATOM 247 N ARG A 18 -8.944 -1.770 -16.897 1.00 1.00 N +ATOM 248 CA ARG A 18 -9.406 -0.874 -17.946 1.00 1.00 C +ATOM 249 C ARG A 18 -10.842 -1.220 -18.343 1.00 1.00 C +ATOM 250 O ARG A 18 -11.651 -0.328 -18.602 1.00 1.00 O +ATOM 251 CB ARG A 18 -8.508 -0.963 -19.181 1.00 1.00 C +ATOM 252 CG ARG A 18 -9.194 -1.742 -20.305 1.00 1.00 C +ATOM 253 CD ARG A 18 -8.273 -1.881 -21.517 1.00 1.00 C +ATOM 254 NE ARG A 18 -9.076 -2.089 -22.742 1.00 1.00 N +ATOM 255 CZ ARG A 18 -9.269 -3.282 -23.321 1.00 1.00 C +ATOM 256 NH1 ARG A 18 -8.717 -4.382 -22.790 1.00 1.00 N +ATOM 257 NH2 ARG A 18 -10.014 -3.376 -24.432 1.00 1.00 N +ATOM 258 H ARG A 18 -8.195 -2.378 -17.163 1.00 1.00 H +ATOM 259 HA ARG A 18 -9.350 0.121 -17.507 1.00 1.00 H +ATOM 260 HB2 ARG A 18 -8.261 0.042 -19.528 1.00 1.00 H +ATOM 261 HB3 ARG A 18 -7.569 -1.448 -18.918 1.00 1.00 H +ATOM 262 HG2 ARG A 18 -9.479 -2.729 -19.944 1.00 1.00 H +ATOM 263 HG3 ARG A 18 -10.112 -1.232 -20.598 1.00 1.00 H +ATOM 264 HD2 ARG A 18 -7.658 -0.987 -21.623 1.00 1.00 H +ATOM 265 HD3 ARG A 18 -7.592 -2.720 -21.373 1.00 1.00 H +ATOM 266 HE ARG A 18 -9.503 -1.289 -23.165 1.00 1.00 H +ATOM 267 HH11 ARG A 18 -8.161 -4.311 -21.961 1.00 1.00 H +ATOM 268 HH12 ARG A 18 -8.860 -5.272 -23.221 1.00 1.00 H +ATOM 269 HH21 ARG A 18 -10.425 -2.555 -24.828 1.00 1.00 H +ATOM 270 HH22 ARG A 18 -10.157 -4.266 -24.863 1.00 1.00 H +ATOM 271 N ASN A 19 -11.118 -2.516 -18.377 1.00 1.00 N +ATOM 272 CA ASN A 19 -12.444 -2.990 -18.739 1.00 1.00 C +ATOM 273 C ASN A 19 -13.471 -2.404 -17.768 1.00 1.00 C +ATOM 274 O ASN A 19 -14.324 -1.611 -18.166 1.00 1.00 O +ATOM 275 CB ASN A 19 -12.526 -4.515 -18.651 1.00 1.00 C +ATOM 276 CG ASN A 19 -11.948 -5.168 -19.908 1.00 1.00 C +ATOM 277 OD1 ASN A 19 -12.501 -5.084 -20.992 1.00 1.00 O +ATOM 278 ND2 ASN A 19 -10.808 -5.821 -19.702 1.00 1.00 N +ATOM 279 H ASN A 19 -10.456 -3.233 -18.165 1.00 1.00 H +ATOM 280 HA ASN A 19 -12.598 -2.653 -19.764 1.00 1.00 H +ATOM 281 HB2 ASN A 19 -11.981 -4.861 -17.773 1.00 1.00 H +ATOM 282 HB3 ASN A 19 -13.565 -4.820 -18.523 1.00 1.00 H +ATOM 283 HD21 ASN A 19 -10.407 -5.852 -18.786 1.00 1.00 H +ATOM 284 HD22 ASN A 19 -10.352 -6.282 -20.463 1.00 1.00 H +ATOM 285 N ALA A 20 -13.358 -2.818 -16.515 1.00 1.00 N +ATOM 286 CA ALA A 20 -14.267 -2.345 -15.485 1.00 1.00 C +ATOM 287 C ALA A 20 -14.209 -0.816 -15.423 1.00 1.00 C +ATOM 288 O ALA A 20 -15.212 -0.165 -15.133 1.00 1.00 O +ATOM 289 CB ALA A 20 -13.910 -2.996 -14.148 1.00 1.00 C +ATOM 290 H ALA A 20 -12.663 -3.463 -16.200 1.00 1.00 H +ATOM 291 HA ALA A 20 -15.276 -2.650 -15.766 1.00 1.00 H +ATOM 292 HB1 ALA A 20 -13.043 -3.646 -14.282 1.00 1.00 H +ATOM 293 HB2 ALA A 20 -13.673 -2.222 -13.418 1.00 1.00 H +ATOM 294 HB3 ALA A 20 -14.755 -3.586 -13.794 1.00 1.00 H +ATOM 295 N ALA A 21 -13.025 -0.289 -15.700 1.00 1.00 N +ATOM 296 CA ALA A 21 -12.823 1.150 -15.679 1.00 1.00 C +ATOM 297 C ALA A 21 -13.917 1.826 -16.506 1.00 1.00 C +ATOM 298 O ALA A 21 -14.728 2.582 -15.972 1.00 1.00 O +ATOM 299 CB ALA A 21 -11.420 1.476 -16.191 1.00 1.00 C +ATOM 300 H ALA A 21 -12.215 -0.826 -15.934 1.00 1.00 H +ATOM 301 HA ALA A 21 -12.905 1.481 -14.643 1.00 1.00 H +ATOM 302 HB1 ALA A 21 -11.018 0.612 -16.721 1.00 1.00 H +ATOM 303 HB2 ALA A 21 -11.469 2.328 -16.868 1.00 1.00 H +ATOM 304 HB3 ALA A 21 -10.772 1.718 -15.348 1.00 1.00 H +ATOM 305 N GLU A 22 -13.907 1.529 -17.797 1.00 1.00 N +ATOM 306 CA GLU A 22 -14.890 2.100 -18.704 1.00 1.00 C +ATOM 307 C GLU A 22 -16.303 1.698 -18.277 1.00 1.00 C +ATOM 308 O GLU A 22 -17.244 2.473 -18.430 1.00 1.00 O +ATOM 309 CB GLU A 22 -14.612 1.676 -20.149 1.00 1.00 C +ATOM 310 CG GLU A 22 -13.424 0.715 -20.220 1.00 1.00 C +ATOM 311 CD GLU A 22 -13.160 0.276 -21.662 1.00 1.00 C +ATOM 312 OE1 GLU A 22 -14.150 0.194 -22.421 1.00 1.00 O +ATOM 313 OE2 GLU A 22 -11.974 0.035 -21.973 1.00 1.00 O +ATOM 314 H GLU A 22 -13.246 0.913 -18.225 1.00 1.00 H +ATOM 315 HA GLU A 22 -14.769 3.178 -18.620 1.00 1.00 H +ATOM 316 HB2 GLU A 22 -15.498 1.198 -20.567 1.00 1.00 H +ATOM 317 HB3 GLU A 22 -14.409 2.558 -20.757 1.00 1.00 H +ATOM 318 HG2 GLU A 22 -12.535 1.199 -19.814 1.00 1.00 H +ATOM 319 HG3 GLU A 22 -13.623 -0.160 -19.601 1.00 1.00 H +ATOM 320 N TYR A 23 -16.406 0.487 -17.751 1.00 1.00 N +ATOM 321 CA TYR A 23 -17.688 -0.027 -17.299 1.00 1.00 C +ATOM 322 C TYR A 23 -18.210 0.772 -16.104 1.00 1.00 C +ATOM 323 O TYR A 23 -19.190 1.506 -16.222 1.00 1.00 O +ATOM 324 CB TYR A 23 -17.434 -1.471 -16.861 1.00 1.00 C +ATOM 325 CG TYR A 23 -18.695 -2.220 -16.426 1.00 1.00 C +ATOM 326 CD1 TYR A 23 -19.215 -2.021 -15.163 1.00 1.00 C +ATOM 327 CD2 TYR A 23 -19.312 -3.095 -17.297 1.00 1.00 C +ATOM 328 CE1 TYR A 23 -20.401 -2.727 -14.753 1.00 1.00 C +ATOM 329 CE2 TYR A 23 -20.500 -3.800 -16.888 1.00 1.00 C +ATOM 330 CZ TYR A 23 -20.985 -3.581 -15.637 1.00 1.00 C +ATOM 331 OH TYR A 23 -22.105 -4.248 -15.249 1.00 1.00 O +ATOM 332 H TYR A 23 -15.635 -0.138 -17.630 1.00 1.00 H +ATOM 333 HA TYR A 23 -18.396 0.064 -18.124 1.00 1.00 H +ATOM 334 HB2 TYR A 23 -16.967 -2.013 -17.684 1.00 1.00 H +ATOM 335 HB3 TYR A 23 -16.722 -1.468 -16.036 1.00 1.00 H +ATOM 336 HD1 TYR A 23 -18.726 -1.331 -14.476 1.00 1.00 H +ATOM 337 HD2 TYR A 23 -18.902 -3.252 -18.294 1.00 1.00 H +ATOM 338 HE1 TYR A 23 -20.822 -2.580 -13.759 1.00 1.00 H +ATOM 339 HE2 TYR A 23 -20.997 -4.493 -17.565 1.00 1.00 H +ATOM 340 HH TYR A 23 -22.117 -5.162 -15.654 1.00 1.00 H +ATOM 341 N LEU A 24 -17.530 0.605 -14.980 1.00 1.00 N +ATOM 342 CA LEU A 24 -17.912 1.301 -13.762 1.00 1.00 C +ATOM 343 C LEU A 24 -18.207 2.765 -14.091 1.00 1.00 C +ATOM 344 O LEU A 24 -19.259 3.288 -13.724 1.00 1.00 O +ATOM 345 CB LEU A 24 -16.845 1.116 -12.681 1.00 1.00 C +ATOM 346 CG LEU A 24 -17.362 0.931 -11.253 1.00 1.00 C +ATOM 347 CD1 LEU A 24 -16.224 0.557 -10.302 1.00 1.00 C +ATOM 348 CD2 LEU A 24 -18.121 2.172 -10.780 1.00 1.00 C +ATOM 349 H LEU A 24 -16.733 0.006 -14.892 1.00 1.00 H +ATOM 350 HA LEU A 24 -18.827 0.838 -13.395 1.00 1.00 H +ATOM 351 HB2 LEU A 24 -16.238 0.249 -12.942 1.00 1.00 H +ATOM 352 HB3 LEU A 24 -16.184 1.983 -12.698 1.00 1.00 H +ATOM 353 HG LEU A 24 -18.069 0.102 -11.251 1.00 1.00 H +ATOM 354 HD11 LEU A 24 -15.302 1.037 -10.633 1.00 1.00 H +ATOM 355 HD12 LEU A 24 -16.468 0.894 -9.293 1.00 1.00 H +ATOM 356 HD13 LEU A 24 -16.091 -0.524 -10.302 1.00 1.00 H +ATOM 357 HD21 LEU A 24 -17.529 3.063 -10.993 1.00 1.00 H +ATOM 358 HD22 LEU A 24 -19.075 2.236 -11.303 1.00 1.00 H +ATOM 359 HD23 LEU A 24 -18.298 2.103 -9.707 1.00 1.00 H +ATOM 360 N LEU A 25 -17.260 3.389 -14.777 1.00 1.00 N +ATOM 361 CA LEU A 25 -17.406 4.783 -15.158 1.00 1.00 C +ATOM 362 C LEU A 25 -18.544 4.914 -16.172 1.00 1.00 C +ATOM 363 O LEU A 25 -18.301 5.113 -17.361 1.00 1.00 O +ATOM 364 CB LEU A 25 -16.072 5.344 -15.656 1.00 1.00 C +ATOM 365 CG LEU A 25 -16.150 6.638 -16.468 1.00 1.00 C +ATOM 366 CD1 LEU A 25 -15.304 7.740 -15.829 1.00 1.00 C +ATOM 367 CD2 LEU A 25 -15.763 6.391 -17.929 1.00 1.00 C +ATOM 368 H LEU A 25 -16.407 2.956 -15.071 1.00 1.00 H +ATOM 369 HA LEU A 25 -17.675 5.340 -14.261 1.00 1.00 H +ATOM 370 HB2 LEU A 25 -15.430 5.520 -14.792 1.00 1.00 H +ATOM 371 HB3 LEU A 25 -15.584 4.584 -16.264 1.00 1.00 H +ATOM 372 HG LEU A 25 -17.185 6.981 -16.465 1.00 1.00 H +ATOM 373 HD11 LEU A 25 -14.676 7.310 -15.049 1.00 1.00 H +ATOM 374 HD12 LEU A 25 -14.673 8.201 -16.590 1.00 1.00 H +ATOM 375 HD13 LEU A 25 -15.959 8.495 -15.394 1.00 1.00 H +ATOM 376 HD21 LEU A 25 -15.591 5.325 -18.084 1.00 1.00 H +ATOM 377 HD22 LEU A 25 -16.569 6.729 -18.580 1.00 1.00 H +ATOM 378 HD23 LEU A 25 -14.851 6.943 -18.161 1.00 1.00 H +ATOM 379 N SER A 26 -19.762 4.796 -15.665 1.00 1.00 N +ATOM 380 CA SER A 26 -20.938 4.899 -16.510 1.00 1.00 C +ATOM 381 C SER A 26 -21.521 6.312 -16.429 1.00 1.00 C +ATOM 382 O SER A 26 -22.177 6.660 -15.450 1.00 1.00 O +ATOM 383 CB SER A 26 -21.995 3.867 -16.113 1.00 1.00 C +ATOM 384 OG SER A 26 -23.056 3.796 -17.061 1.00 1.00 O +ATOM 385 H SER A 26 -19.951 4.635 -14.696 1.00 1.00 H +ATOM 386 HA SER A 26 -20.587 4.688 -17.521 1.00 1.00 H +ATOM 387 HB2 SER A 26 -21.527 2.886 -16.019 1.00 1.00 H +ATOM 388 HB3 SER A 26 -22.400 4.121 -15.133 1.00 1.00 H +ATOM 389 HG SER A 26 -22.951 2.984 -17.633 1.00 1.00 H +ATOM 390 N SER A 27 -21.257 7.087 -17.471 1.00 1.00 N +ATOM 391 CA SER A 27 -21.746 8.454 -17.529 1.00 1.00 C +ATOM 392 C SER A 27 -21.117 9.283 -16.407 1.00 1.00 C +ATOM 393 O SER A 27 -20.059 9.883 -16.594 1.00 1.00 O +ATOM 394 CB SER A 27 -23.272 8.497 -17.429 1.00 1.00 C +ATOM 395 OG SER A 27 -23.762 9.831 -17.309 1.00 1.00 O +ATOM 396 H SER A 27 -20.721 6.795 -18.263 1.00 1.00 H +ATOM 397 HA SER A 27 -21.436 8.830 -18.504 1.00 1.00 H +ATOM 398 HB2 SER A 27 -23.707 8.029 -18.312 1.00 1.00 H +ATOM 399 HB3 SER A 27 -23.595 7.914 -16.567 1.00 1.00 H +ATOM 400 HG SER A 27 -23.246 10.323 -16.609 1.00 1.00 H +ATOM 401 N GLY A 28 -21.794 9.290 -15.269 1.00 1.00 N +ATOM 402 CA GLY A 28 -21.314 10.037 -14.118 1.00 1.00 C +ATOM 403 C GLY A 28 -21.032 11.495 -14.488 1.00 1.00 C +ATOM 404 O GLY A 28 -21.948 12.314 -14.535 1.00 1.00 O +ATOM 405 H GLY A 28 -22.652 8.800 -15.126 1.00 1.00 H +ATOM 406 HA2 GLY A 28 -22.055 9.996 -13.320 1.00 1.00 H +ATOM 407 HA3 GLY A 28 -20.405 9.572 -13.734 1.00 1.00 H +ATOM 408 N ILE A 29 -19.761 11.772 -14.741 1.00 1.00 N +ATOM 409 CA ILE A 29 -19.347 13.116 -15.106 1.00 1.00 C +ATOM 410 C ILE A 29 -18.920 13.133 -16.574 1.00 1.00 C +ATOM 411 O ILE A 29 -18.497 12.111 -17.113 1.00 1.00 O +ATOM 412 CB ILE A 29 -18.270 13.623 -14.145 1.00 1.00 C +ATOM 413 CG1 ILE A 29 -17.819 12.516 -13.191 1.00 1.00 C +ATOM 414 CG2 ILE A 29 -18.747 14.868 -13.394 1.00 1.00 C +ATOM 415 CD1 ILE A 29 -16.777 13.036 -12.200 1.00 1.00 C +ATOM 416 H ILE A 29 -19.023 11.099 -14.702 1.00 1.00 H +ATOM 417 HA ILE A 29 -20.213 13.767 -14.991 1.00 1.00 H +ATOM 418 HB ILE A 29 -17.400 13.916 -14.732 1.00 1.00 H +ATOM 419 HG12 ILE A 29 -18.682 12.127 -12.648 1.00 1.00 H +ATOM 420 HG13 ILE A 29 -17.402 11.687 -13.762 1.00 1.00 H +ATOM 421 HG21 ILE A 29 -19.782 15.082 -13.664 1.00 1.00 H +ATOM 422 HG22 ILE A 29 -18.680 14.692 -12.320 1.00 1.00 H +ATOM 423 HG23 ILE A 29 -18.119 15.718 -13.664 1.00 1.00 H +ATOM 424 HD11 ILE A 29 -16.050 13.653 -12.728 1.00 1.00 H +ATOM 425 HD12 ILE A 29 -17.270 13.632 -11.432 1.00 1.00 H +ATOM 426 HD13 ILE A 29 -16.266 12.192 -11.733 1.00 1.00 H +ATOM 427 N ASN A 30 -19.044 14.304 -17.180 1.00 1.00 N +ATOM 428 CA ASN A 30 -18.675 14.467 -18.576 1.00 1.00 C +ATOM 429 C ASN A 30 -17.152 14.538 -18.692 1.00 1.00 C +ATOM 430 O ASN A 30 -16.614 14.662 -19.791 1.00 1.00 O +ATOM 431 CB ASN A 30 -19.253 15.764 -19.150 1.00 1.00 C +ATOM 432 CG ASN A 30 -20.781 15.760 -19.080 1.00 1.00 C +ATOM 433 OD1 ASN A 30 -21.466 15.189 -19.914 1.00 1.00 O +ATOM 434 ND2 ASN A 30 -21.277 16.429 -18.043 1.00 1.00 N +ATOM 435 H ASN A 30 -19.388 15.131 -16.734 1.00 1.00 H +ATOM 436 HA ASN A 30 -19.093 13.600 -19.086 1.00 1.00 H +ATOM 437 HB2 ASN A 30 -18.862 16.617 -18.597 1.00 1.00 H +ATOM 438 HB3 ASN A 30 -18.933 15.881 -20.185 1.00 1.00 H +ATOM 439 HD21 ASN A 30 -20.660 16.876 -17.395 1.00 1.00 H +ATOM 440 HD22 ASN A 30 -22.267 16.485 -17.911 1.00 1.00 H +ATOM 441 N GLY A 31 -16.499 14.456 -17.543 1.00 1.00 N +ATOM 442 CA GLY A 31 -15.047 14.508 -17.501 1.00 1.00 C +ATOM 443 C GLY A 31 -14.519 14.009 -16.155 1.00 1.00 C +ATOM 444 O GLY A 31 -14.727 14.649 -15.125 1.00 1.00 O +ATOM 445 H GLY A 31 -16.944 14.356 -16.652 1.00 1.00 H +ATOM 446 HA2 GLY A 31 -14.634 13.899 -18.305 1.00 1.00 H +ATOM 447 HA3 GLY A 31 -14.711 15.530 -17.671 1.00 1.00 H +ATOM 448 N SER A 32 -13.844 12.870 -16.205 1.00 1.00 N +ATOM 449 CA SER A 32 -13.283 12.278 -15.003 1.00 1.00 C +ATOM 450 C SER A 32 -12.071 11.415 -15.359 1.00 1.00 C +ATOM 451 O SER A 32 -12.063 10.748 -16.393 1.00 1.00 O +ATOM 452 CB SER A 32 -14.329 11.445 -14.261 1.00 1.00 C +ATOM 453 OG SER A 32 -14.425 11.808 -12.886 1.00 1.00 O +ATOM 454 H SER A 32 -13.677 12.356 -17.047 1.00 1.00 H +ATOM 455 HA SER A 32 -12.982 13.120 -14.380 1.00 1.00 H +ATOM 456 HB2 SER A 32 -15.301 11.572 -14.738 1.00 1.00 H +ATOM 457 HB3 SER A 32 -14.073 10.387 -14.339 1.00 1.00 H +ATOM 458 HG SER A 32 -13.545 12.155 -12.561 1.00 1.00 H +ATOM 459 N PHE A 33 -11.077 11.455 -14.485 1.00 1.00 N +ATOM 460 CA PHE A 33 -9.864 10.685 -14.695 1.00 1.00 C +ATOM 461 C PHE A 33 -9.597 9.748 -13.514 1.00 1.00 C +ATOM 462 O PHE A 33 -10.110 9.966 -12.417 1.00 1.00 O +ATOM 463 CB PHE A 33 -8.711 11.686 -14.806 1.00 1.00 C +ATOM 464 CG PHE A 33 -8.969 12.821 -15.799 1.00 1.00 C +ATOM 465 CD1 PHE A 33 -10.082 13.592 -15.678 1.00 1.00 C +ATOM 466 CD2 PHE A 33 -8.082 13.059 -16.803 1.00 1.00 C +ATOM 467 CE1 PHE A 33 -10.320 14.647 -16.599 1.00 1.00 C +ATOM 468 CE2 PHE A 33 -8.319 14.113 -17.725 1.00 1.00 C +ATOM 469 CZ PHE A 33 -9.433 14.884 -17.604 1.00 1.00 C +ATOM 470 H PHE A 33 -11.092 12.001 -13.646 1.00 1.00 H +ATOM 471 HA PHE A 33 -10.009 10.094 -15.599 1.00 1.00 H +ATOM 472 HB2 PHE A 33 -8.519 12.114 -13.822 1.00 1.00 H +ATOM 473 HB3 PHE A 33 -7.808 11.153 -15.103 1.00 1.00 H +ATOM 474 HD1 PHE A 33 -10.792 13.401 -14.873 1.00 1.00 H +ATOM 475 HD2 PHE A 33 -7.190 12.441 -16.900 1.00 1.00 H +ATOM 476 HE1 PHE A 33 -11.212 15.264 -16.503 1.00 1.00 H +ATOM 477 HE2 PHE A 33 -7.609 14.304 -18.530 1.00 1.00 H +ATOM 478 HZ PHE A 33 -9.615 15.693 -18.312 1.00 1.00 H +ATOM 479 N LEU A 34 -8.795 8.727 -13.779 1.00 1.00 N +ATOM 480 CA LEU A 34 -8.455 7.757 -12.752 1.00 1.00 C +ATOM 481 C LEU A 34 -7.121 7.095 -13.105 1.00 1.00 C +ATOM 482 O LEU A 34 -6.935 6.625 -14.226 1.00 1.00 O +ATOM 483 CB LEU A 34 -9.601 6.763 -12.554 1.00 1.00 C +ATOM 484 CG LEU A 34 -10.657 6.727 -13.660 1.00 1.00 C +ATOM 485 CD1 LEU A 34 -11.119 5.294 -13.930 1.00 1.00 C +ATOM 486 CD2 LEU A 34 -11.829 7.654 -13.330 1.00 1.00 C +ATOM 487 H LEU A 34 -8.383 8.558 -14.675 1.00 1.00 H +ATOM 488 HA LEU A 34 -8.334 8.301 -11.816 1.00 1.00 H +ATOM 489 HB2 LEU A 34 -9.175 5.765 -12.452 1.00 1.00 H +ATOM 490 HB3 LEU A 34 -10.098 6.996 -11.612 1.00 1.00 H +ATOM 491 HG LEU A 34 -10.203 7.098 -14.579 1.00 1.00 H +ATOM 492 HD11 LEU A 34 -11.409 4.822 -12.991 1.00 1.00 H +ATOM 493 HD12 LEU A 34 -11.973 5.309 -14.608 1.00 1.00 H +ATOM 494 HD13 LEU A 34 -10.304 4.728 -14.385 1.00 1.00 H +ATOM 495 HD21 LEU A 34 -11.626 8.178 -12.395 1.00 1.00 H +ATOM 496 HD22 LEU A 34 -11.954 8.381 -14.134 1.00 1.00 H +ATOM 497 HD23 LEU A 34 -12.740 7.065 -13.226 1.00 1.00 H +ATOM 498 N VAL A 35 -6.228 7.080 -12.126 1.00 1.00 N +ATOM 499 CA VAL A 35 -4.917 6.484 -12.319 1.00 1.00 C +ATOM 500 C VAL A 35 -4.985 4.993 -11.981 1.00 1.00 C +ATOM 501 O VAL A 35 -5.729 4.588 -11.090 1.00 1.00 O +ATOM 502 CB VAL A 35 -3.873 7.237 -11.493 1.00 1.00 C +ATOM 503 CG1 VAL A 35 -2.476 6.653 -11.710 1.00 1.00 C +ATOM 504 CG2 VAL A 35 -3.897 8.733 -11.810 1.00 1.00 C +ATOM 505 H VAL A 35 -6.388 7.465 -11.217 1.00 1.00 H +ATOM 506 HA VAL A 35 -4.658 6.593 -13.371 1.00 1.00 H +ATOM 507 HB VAL A 35 -4.127 7.114 -10.439 1.00 1.00 H +ATOM 508 HG11 VAL A 35 -2.562 5.656 -12.142 1.00 1.00 H +ATOM 509 HG12 VAL A 35 -1.915 7.295 -12.388 1.00 1.00 H +ATOM 510 HG13 VAL A 35 -1.955 6.591 -10.754 1.00 1.00 H +ATOM 511 HG21 VAL A 35 -4.886 9.135 -11.590 1.00 1.00 H +ATOM 512 HG22 VAL A 35 -3.153 9.247 -11.203 1.00 1.00 H +ATOM 513 HG23 VAL A 35 -3.670 8.885 -12.866 1.00 1.00 H +ATOM 514 N ARG A 36 -4.197 4.217 -12.712 1.00 1.00 N +ATOM 515 CA ARG A 36 -4.159 2.780 -12.500 1.00 1.00 C +ATOM 516 C ARG A 36 -2.714 2.307 -12.331 1.00 1.00 C +ATOM 517 O ARG A 36 -1.790 3.118 -12.305 1.00 1.00 O +ATOM 518 CB ARG A 36 -4.799 2.034 -13.672 1.00 1.00 C +ATOM 519 CG ARG A 36 -5.168 2.999 -14.801 1.00 1.00 C +ATOM 520 CD ARG A 36 -6.147 2.349 -15.780 1.00 1.00 C +ATOM 521 NE ARG A 36 -6.316 3.207 -16.974 1.00 1.00 N +ATOM 522 CZ ARG A 36 -7.331 3.098 -17.841 1.00 1.00 C +ATOM 523 NH1 ARG A 36 -8.276 2.167 -17.653 1.00 1.00 N +ATOM 524 NH2 ARG A 36 -7.403 3.920 -18.896 1.00 1.00 N +ATOM 525 H ARG A 36 -3.594 4.554 -13.435 1.00 1.00 H +ATOM 526 HA ARG A 36 -4.734 2.617 -11.589 1.00 1.00 H +ATOM 527 HB2 ARG A 36 -4.109 1.278 -14.048 1.00 1.00 H +ATOM 528 HB3 ARG A 36 -5.690 1.509 -13.332 1.00 1.00 H +ATOM 529 HG2 ARG A 36 -5.613 3.901 -14.382 1.00 1.00 H +ATOM 530 HG3 ARG A 36 -4.267 3.306 -15.333 1.00 1.00 H +ATOM 531 HD2 ARG A 36 -5.779 1.367 -16.078 1.00 1.00 H +ATOM 532 HD3 ARG A 36 -7.112 2.194 -15.294 1.00 1.00 H +ATOM 533 HE ARG A 36 -5.629 3.914 -17.143 1.00 1.00 H +ATOM 534 HH11 ARG A 36 -8.221 1.552 -16.866 1.00 1.00 H +ATOM 535 HH12 ARG A 36 -9.033 2.085 -18.301 1.00 1.00 H +ATOM 536 HH21 ARG A 36 -6.699 4.617 -19.036 1.00 1.00 H +ATOM 537 HH22 ARG A 36 -8.160 3.840 -19.544 1.00 1.00 H +ATOM 538 N GLU A 37 -2.563 0.996 -12.220 1.00 1.00 N +ATOM 539 CA GLU A 37 -1.247 0.405 -12.053 1.00 1.00 C +ATOM 540 C GLU A 37 -1.164 -0.927 -12.801 1.00 1.00 C +ATOM 541 O GLU A 37 -2.057 -1.765 -12.683 1.00 1.00 O +ATOM 542 CB GLU A 37 -0.910 0.224 -10.571 1.00 1.00 C +ATOM 543 CG GLU A 37 0.143 -0.869 -10.378 1.00 1.00 C +ATOM 544 CD GLU A 37 1.060 -0.545 -9.198 1.00 1.00 C +ATOM 545 OE1 GLU A 37 0.663 -0.883 -8.061 1.00 1.00 O +ATOM 546 OE2 GLU A 37 2.137 0.036 -9.457 1.00 1.00 O +ATOM 547 H GLU A 37 -3.320 0.342 -12.240 1.00 1.00 H +ATOM 548 HA GLU A 37 -0.551 1.118 -12.492 1.00 1.00 H +ATOM 549 HB2 GLU A 37 -0.543 1.164 -10.160 1.00 1.00 H +ATOM 550 HB3 GLU A 37 -1.813 -0.035 -10.018 1.00 1.00 H +ATOM 551 HG2 GLU A 37 -0.348 -1.827 -10.208 1.00 1.00 H +ATOM 552 HG3 GLU A 37 0.737 -0.971 -11.287 1.00 1.00 H +ATOM 553 N SER A 38 -0.085 -1.082 -13.553 1.00 1.00 N +ATOM 554 CA SER A 38 0.127 -2.298 -14.320 1.00 1.00 C +ATOM 555 C SER A 38 0.566 -3.433 -13.391 1.00 1.00 C +ATOM 556 O SER A 38 0.846 -3.204 -12.216 1.00 1.00 O +ATOM 557 CB SER A 38 1.166 -2.081 -15.421 1.00 1.00 C +ATOM 558 OG SER A 38 1.202 -3.168 -16.343 1.00 1.00 O +ATOM 559 H SER A 38 0.637 -0.396 -13.643 1.00 1.00 H +ATOM 560 HA SER A 38 -0.839 -2.524 -14.771 1.00 1.00 H +ATOM 561 HB2 SER A 38 0.940 -1.158 -15.957 1.00 1.00 H +ATOM 562 HB3 SER A 38 2.151 -1.956 -14.971 1.00 1.00 H +ATOM 563 HG SER A 38 2.138 -3.312 -16.664 1.00 1.00 H +ATOM 564 N GLU A 39 0.610 -4.631 -13.955 1.00 1.00 N +ATOM 565 CA GLU A 39 1.011 -5.801 -13.193 1.00 1.00 C +ATOM 566 C GLU A 39 2.400 -6.269 -13.628 1.00 1.00 C +ATOM 567 O GLU A 39 2.842 -5.969 -14.736 1.00 1.00 O +ATOM 568 CB GLU A 39 -0.016 -6.926 -13.335 1.00 1.00 C +ATOM 569 CG GLU A 39 0.072 -7.902 -12.160 1.00 1.00 C +ATOM 570 CD GLU A 39 0.475 -7.178 -10.875 1.00 1.00 C +ATOM 571 OE1 GLU A 39 1.698 -7.070 -10.643 1.00 1.00 O +ATOM 572 OE2 GLU A 39 -0.451 -6.748 -10.152 1.00 1.00 O +ATOM 573 H GLU A 39 0.381 -4.809 -14.912 1.00 1.00 H +ATOM 574 HA GLU A 39 1.040 -5.474 -12.153 1.00 1.00 H +ATOM 575 HB2 GLU A 39 -1.019 -6.503 -13.385 1.00 1.00 H +ATOM 576 HB3 GLU A 39 0.152 -7.460 -14.270 1.00 1.00 H +ATOM 577 HG2 GLU A 39 -0.889 -8.395 -12.019 1.00 1.00 H +ATOM 578 HG3 GLU A 39 0.800 -8.683 -12.386 1.00 1.00 H +ATOM 579 N SER A 40 3.052 -6.998 -12.734 1.00 1.00 N +ATOM 580 CA SER A 40 4.383 -7.511 -13.012 1.00 1.00 C +ATOM 581 C SER A 40 5.219 -6.440 -13.716 1.00 1.00 C +ATOM 582 O SER A 40 5.862 -6.715 -14.729 1.00 1.00 O +ATOM 583 CB SER A 40 4.317 -8.779 -13.865 1.00 1.00 C +ATOM 584 OG SER A 40 3.891 -8.506 -15.198 1.00 1.00 O +ATOM 585 H SER A 40 2.687 -7.238 -11.836 1.00 1.00 H +ATOM 586 HA SER A 40 4.809 -7.751 -12.039 1.00 1.00 H +ATOM 587 HB2 SER A 40 5.299 -9.252 -13.888 1.00 1.00 H +ATOM 588 HB3 SER A 40 3.632 -9.490 -13.405 1.00 1.00 H +ATOM 589 HG SER A 40 3.070 -9.035 -15.410 1.00 1.00 H +ATOM 590 N SER A 41 5.185 -5.242 -13.153 1.00 1.00 N +ATOM 591 CA SER A 41 5.932 -4.129 -13.713 1.00 1.00 C +ATOM 592 C SER A 41 6.975 -3.639 -12.708 1.00 1.00 C +ATOM 593 O SER A 41 6.845 -3.877 -11.508 1.00 1.00 O +ATOM 594 CB SER A 41 4.998 -2.984 -14.110 1.00 1.00 C +ATOM 595 OG SER A 41 3.735 -3.075 -13.459 1.00 1.00 O +ATOM 596 H SER A 41 4.660 -5.026 -12.329 1.00 1.00 H +ATOM 597 HA SER A 41 6.416 -4.527 -14.604 1.00 1.00 H +ATOM 598 HB2 SER A 41 5.466 -2.031 -13.859 1.00 1.00 H +ATOM 599 HB3 SER A 41 4.851 -2.993 -15.190 1.00 1.00 H +ATOM 600 HG SER A 41 3.858 -3.068 -12.467 1.00 1.00 H +ATOM 601 N PRO A 42 8.013 -2.946 -13.247 1.00 1.00 N +ATOM 602 CA PRO A 42 9.078 -2.420 -12.410 1.00 1.00 C +ATOM 603 C PRO A 42 8.609 -1.185 -11.638 1.00 1.00 C +ATOM 604 O PRO A 42 9.384 -0.582 -10.895 1.00 1.00 O +ATOM 605 CB PRO A 42 10.222 -2.124 -13.367 1.00 1.00 C +ATOM 606 CG PRO A 42 9.597 -2.054 -14.752 1.00 1.00 C +ATOM 607 CD PRO A 42 8.199 -2.644 -14.664 1.00 1.00 C +ATOM 608 HA PRO A 42 9.339 -3.092 -11.718 1.00 1.00 H +ATOM 609 HB2 PRO A 42 10.710 -1.184 -13.112 1.00 1.00 H +ATOM 610 HB3 PRO A 42 10.981 -2.902 -13.320 1.00 1.00 H +ATOM 611 HG2 PRO A 42 9.555 -1.023 -15.101 1.00 1.00 H +ATOM 612 HG3 PRO A 42 10.200 -2.610 -15.471 1.00 1.00 H +ATOM 613 HD2 PRO A 42 7.449 -1.939 -15.021 1.00 1.00 H +ATOM 614 HD3 PRO A 42 8.109 -3.543 -15.274 1.00 1.00 H +ATOM 615 N GLY A 43 7.344 -0.845 -11.838 1.00 1.00 N +ATOM 616 CA GLY A 43 6.764 0.307 -11.170 1.00 1.00 C +ATOM 617 C GLY A 43 6.150 1.276 -12.182 1.00 1.00 C +ATOM 618 O GLY A 43 6.414 2.476 -12.136 1.00 1.00 O +ATOM 619 H GLY A 43 6.722 -1.341 -12.444 1.00 1.00 H +ATOM 620 HA2 GLY A 43 5.999 -0.024 -10.467 1.00 1.00 H +ATOM 621 HA3 GLY A 43 7.531 0.820 -10.589 1.00 1.00 H +ATOM 622 N GLN A 44 5.342 0.718 -13.072 1.00 1.00 N +ATOM 623 CA GLN A 44 4.688 1.519 -14.093 1.00 1.00 C +ATOM 624 C GLN A 44 3.216 1.731 -13.739 1.00 1.00 C +ATOM 625 O GLN A 44 2.574 0.846 -13.173 1.00 1.00 O +ATOM 626 CB GLN A 44 4.832 0.870 -15.473 1.00 1.00 C +ATOM 627 CG GLN A 44 6.065 -0.032 -15.528 1.00 1.00 C +ATOM 628 CD GLN A 44 6.949 0.319 -16.727 1.00 1.00 C +ATOM 629 OE1 GLN A 44 7.051 -0.418 -17.694 1.00 1.00 O +ATOM 630 NE2 GLN A 44 7.580 1.483 -16.610 1.00 1.00 N +ATOM 631 H GLN A 44 5.133 -0.259 -13.102 1.00 1.00 H +ATOM 632 HA GLN A 44 5.212 2.474 -14.092 1.00 1.00 H +ATOM 633 HB2 GLN A 44 3.939 0.288 -15.699 1.00 1.00 H +ATOM 634 HB3 GLN A 44 4.909 1.645 -16.235 1.00 1.00 H +ATOM 635 HG2 GLN A 44 6.638 0.072 -14.606 1.00 1.00 H +ATOM 636 HG3 GLN A 44 5.755 -1.075 -15.595 1.00 1.00 H +ATOM 637 HE21 GLN A 44 7.453 2.042 -15.791 1.00 1.00 H +ATOM 638 HE22 GLN A 44 8.182 1.802 -17.344 1.00 1.00 H +ATOM 639 N ARG A 45 2.720 2.910 -14.087 1.00 1.00 N +ATOM 640 CA ARG A 45 1.334 3.249 -13.812 1.00 1.00 C +ATOM 641 C ARG A 45 0.628 3.678 -15.101 1.00 1.00 C +ATOM 642 O ARG A 45 1.278 4.057 -16.073 1.00 1.00 O +ATOM 643 CB ARG A 45 1.238 4.380 -12.787 1.00 1.00 C +ATOM 644 CG ARG A 45 1.020 3.825 -11.378 1.00 1.00 C +ATOM 645 CD ARG A 45 2.298 3.181 -10.837 1.00 1.00 C +ATOM 646 NE ARG A 45 3.364 4.201 -10.712 1.00 1.00 N +ATOM 647 CZ ARG A 45 4.393 4.110 -9.861 1.00 1.00 C +ATOM 648 NH1 ARG A 45 4.504 3.045 -9.053 1.00 1.00 N +ATOM 649 NH2 ARG A 45 5.313 5.083 -9.815 1.00 1.00 N +ATOM 650 H ARG A 45 3.247 3.624 -14.548 1.00 1.00 H +ATOM 651 HA ARG A 45 0.897 2.336 -13.411 1.00 1.00 H +ATOM 652 HB2 ARG A 45 2.152 4.976 -12.809 1.00 1.00 H +ATOM 653 HB3 ARG A 45 0.416 5.047 -13.049 1.00 1.00 H +ATOM 654 HG2 ARG A 45 0.702 4.627 -10.711 1.00 1.00 H +ATOM 655 HG3 ARG A 45 0.216 3.088 -11.394 1.00 1.00 H +ATOM 656 HD2 ARG A 45 2.104 2.725 -9.866 1.00 1.00 H +ATOM 657 HD3 ARG A 45 2.624 2.384 -11.505 1.00 1.00 H +ATOM 658 HE ARG A 45 3.311 5.008 -11.300 1.00 1.00 H +ATOM 659 HH11 ARG A 45 3.818 2.319 -9.087 1.00 1.00 H +ATOM 660 HH12 ARG A 45 5.272 2.978 -8.417 1.00 1.00 H +ATOM 661 HH21 ARG A 45 5.232 5.877 -10.416 1.00 1.00 H +ATOM 662 HH22 ARG A 45 6.082 5.016 -9.180 1.00 1.00 H +ATOM 663 N SER A 46 -0.695 3.603 -15.065 1.00 1.00 N +ATOM 664 CA SER A 46 -1.497 3.978 -16.217 1.00 1.00 C +ATOM 665 C SER A 46 -2.409 5.152 -15.860 1.00 1.00 C +ATOM 666 O SER A 46 -2.457 5.577 -14.706 1.00 1.00 O +ATOM 667 CB SER A 46 -2.326 2.795 -16.720 1.00 1.00 C +ATOM 668 OG SER A 46 -2.479 1.788 -15.723 1.00 1.00 O +ATOM 669 H SER A 46 -1.216 3.293 -14.270 1.00 1.00 H +ATOM 670 HA SER A 46 -0.780 4.270 -16.985 1.00 1.00 H +ATOM 671 HB2 SER A 46 -3.309 3.148 -17.033 1.00 1.00 H +ATOM 672 HB3 SER A 46 -1.848 2.364 -17.600 1.00 1.00 H +ATOM 673 HG SER A 46 -2.656 2.211 -14.834 1.00 1.00 H +ATOM 674 N ILE A 47 -3.113 5.644 -16.870 1.00 1.00 N +ATOM 675 CA ILE A 47 -4.021 6.761 -16.677 1.00 1.00 C +ATOM 676 C ILE A 47 -5.350 6.459 -17.373 1.00 1.00 C +ATOM 677 O ILE A 47 -5.367 6.032 -18.528 1.00 1.00 O +ATOM 678 CB ILE A 47 -3.371 8.068 -17.135 1.00 1.00 C +ATOM 679 CG1 ILE A 47 -2.890 8.889 -15.938 1.00 1.00 C +ATOM 680 CG2 ILE A 47 -4.316 8.864 -18.036 1.00 1.00 C +ATOM 681 CD1 ILE A 47 -4.073 9.449 -15.147 1.00 1.00 C +ATOM 682 H ILE A 47 -3.068 5.291 -17.806 1.00 1.00 H +ATOM 683 HA ILE A 47 -4.205 6.851 -15.606 1.00 1.00 H +ATOM 684 HB ILE A 47 -2.491 7.819 -17.729 1.00 1.00 H +ATOM 685 HG12 ILE A 47 -2.275 8.266 -15.287 1.00 1.00 H +ATOM 686 HG13 ILE A 47 -2.258 9.708 -16.284 1.00 1.00 H +ATOM 687 HG21 ILE A 47 -5.325 8.822 -17.629 1.00 1.00 H +ATOM 688 HG22 ILE A 47 -3.985 9.902 -18.082 1.00 1.00 H +ATOM 689 HG23 ILE A 47 -4.309 8.436 -19.038 1.00 1.00 H +ATOM 690 HD11 ILE A 47 -4.778 9.921 -15.832 1.00 1.00 H +ATOM 691 HD12 ILE A 47 -4.571 8.638 -14.614 1.00 1.00 H +ATOM 692 HD13 ILE A 47 -3.714 10.188 -14.431 1.00 1.00 H +ATOM 693 N SER A 48 -6.430 6.689 -16.642 1.00 1.00 N +ATOM 694 CA SER A 48 -7.759 6.446 -17.176 1.00 1.00 C +ATOM 695 C SER A 48 -8.567 7.746 -17.179 1.00 1.00 C +ATOM 696 O SER A 48 -9.087 8.162 -16.144 1.00 1.00 O +ATOM 697 CB SER A 48 -8.490 5.371 -16.368 1.00 1.00 C +ATOM 698 OG SER A 48 -7.615 4.695 -15.468 1.00 1.00 O +ATOM 699 H SER A 48 -6.408 7.035 -15.704 1.00 1.00 H +ATOM 700 HA SER A 48 -7.603 6.092 -18.194 1.00 1.00 H +ATOM 701 HB2 SER A 48 -9.304 5.829 -15.807 1.00 1.00 H +ATOM 702 HB3 SER A 48 -8.940 4.649 -17.050 1.00 1.00 H +ATOM 703 HG SER A 48 -6.670 4.781 -15.779 1.00 1.00 H +ATOM 704 N LEU A 49 -8.646 8.353 -18.354 1.00 1.00 N +ATOM 705 CA LEU A 49 -9.381 9.596 -18.507 1.00 1.00 C +ATOM 706 C LEU A 49 -10.724 9.311 -19.184 1.00 1.00 C +ATOM 707 O LEU A 49 -10.871 8.309 -19.881 1.00 1.00 O +ATOM 708 CB LEU A 49 -8.532 10.635 -19.241 1.00 1.00 C +ATOM 709 CG LEU A 49 -9.178 11.288 -20.466 1.00 1.00 C +ATOM 710 CD1 LEU A 49 -10.146 12.396 -20.048 1.00 1.00 C +ATOM 711 CD2 LEU A 49 -8.114 11.793 -21.443 1.00 1.00 C +ATOM 712 H LEU A 49 -8.221 8.008 -19.192 1.00 1.00 H +ATOM 713 HA LEU A 49 -9.574 9.987 -17.508 1.00 1.00 H +ATOM 714 HB2 LEU A 49 -8.263 11.421 -18.535 1.00 1.00 H +ATOM 715 HB3 LEU A 49 -7.603 10.158 -19.556 1.00 1.00 H +ATOM 716 HG LEU A 49 -9.761 10.530 -20.987 1.00 1.00 H +ATOM 717 HD11 LEU A 49 -10.038 12.591 -18.980 1.00 1.00 H +ATOM 718 HD12 LEU A 49 -9.921 13.305 -20.607 1.00 1.00 H +ATOM 719 HD13 LEU A 49 -11.169 12.084 -20.259 1.00 1.00 H +ATOM 720 HD21 LEU A 49 -7.413 12.437 -20.914 1.00 1.00 H +ATOM 721 HD22 LEU A 49 -7.579 10.943 -21.868 1.00 1.00 H +ATOM 722 HD23 LEU A 49 -8.595 12.357 -22.242 1.00 1.00 H +ATOM 723 N ARG A 50 -11.670 10.211 -18.952 1.00 1.00 N +ATOM 724 CA ARG A 50 -12.994 10.068 -19.533 1.00 1.00 C +ATOM 725 C ARG A 50 -13.486 11.413 -20.070 1.00 1.00 C +ATOM 726 O ARG A 50 -13.314 12.446 -19.424 1.00 1.00 O +ATOM 727 CB ARG A 50 -13.993 9.545 -18.498 1.00 1.00 C +ATOM 728 CG ARG A 50 -15.417 9.551 -19.058 1.00 1.00 C +ATOM 729 CD ARG A 50 -16.260 10.647 -18.403 1.00 1.00 C +ATOM 730 NE ARG A 50 -17.496 10.870 -19.184 1.00 1.00 N +ATOM 731 CZ ARG A 50 -18.514 10.001 -19.246 1.00 1.00 C +ATOM 732 NH1 ARG A 50 -18.448 8.844 -18.573 1.00 1.00 N +ATOM 733 NH2 ARG A 50 -19.597 10.287 -19.980 1.00 1.00 N +ATOM 734 H ARG A 50 -11.542 11.023 -18.384 1.00 1.00 H +ATOM 735 HA ARG A 50 -12.870 9.345 -20.338 1.00 1.00 H +ATOM 736 HB2 ARG A 50 -13.719 8.532 -18.203 1.00 1.00 H +ATOM 737 HB3 ARG A 50 -13.950 10.161 -17.601 1.00 1.00 H +ATOM 738 HG2 ARG A 50 -15.386 9.708 -20.136 1.00 1.00 H +ATOM 739 HG3 ARG A 50 -15.883 8.581 -18.891 1.00 1.00 H +ATOM 740 HD2 ARG A 50 -16.513 10.360 -17.382 1.00 1.00 H +ATOM 741 HD3 ARG A 50 -15.685 11.571 -18.342 1.00 1.00 H +ATOM 742 HE ARG A 50 -17.578 11.724 -19.699 1.00 1.00 H +ATOM 743 HH11 ARG A 50 -17.640 8.630 -18.024 1.00 1.00 H +ATOM 744 HH12 ARG A 50 -19.207 8.194 -18.619 1.00 1.00 H +ATOM 745 HH21 ARG A 50 -19.646 11.151 -20.483 1.00 1.00 H +ATOM 746 HH22 ARG A 50 -20.357 9.637 -20.027 1.00 1.00 H +ATOM 747 N TYR A 51 -14.089 11.358 -21.248 1.00 1.00 N +ATOM 748 CA TYR A 51 -14.606 12.560 -21.882 1.00 1.00 C +ATOM 749 C TYR A 51 -16.115 12.453 -22.110 1.00 1.00 C +ATOM 750 O TYR A 51 -16.865 12.142 -21.186 1.00 1.00 O +ATOM 751 CB TYR A 51 -13.904 12.658 -23.237 1.00 1.00 C +ATOM 752 CG TYR A 51 -13.827 14.080 -23.796 1.00 1.00 C +ATOM 753 CD1 TYR A 51 -13.313 15.100 -23.021 1.00 1.00 C +ATOM 754 CD2 TYR A 51 -14.272 14.345 -25.076 1.00 1.00 C +ATOM 755 CE1 TYR A 51 -13.242 16.438 -23.546 1.00 1.00 C +ATOM 756 CE2 TYR A 51 -14.200 15.682 -25.602 1.00 1.00 C +ATOM 757 CZ TYR A 51 -13.689 16.663 -24.812 1.00 1.00 C +ATOM 758 OH TYR A 51 -13.621 17.928 -25.309 1.00 1.00 O +ATOM 759 H TYR A 51 -14.225 10.514 -21.768 1.00 1.00 H +ATOM 760 HA TYR A 51 -14.405 13.401 -21.220 1.00 1.00 H +ATOM 761 HB2 TYR A 51 -12.893 12.262 -23.140 1.00 1.00 H +ATOM 762 HB3 TYR A 51 -14.427 12.025 -23.953 1.00 1.00 H +ATOM 763 HD1 TYR A 51 -12.963 14.893 -22.009 1.00 1.00 H +ATOM 764 HD2 TYR A 51 -14.677 13.539 -25.688 1.00 1.00 H +ATOM 765 HE1 TYR A 51 -12.839 17.253 -22.945 1.00 1.00 H +ATOM 766 HE2 TYR A 51 -14.547 15.904 -26.610 1.00 1.00 H +ATOM 767 HH TYR A 51 -12.763 18.053 -25.808 1.00 1.00 H +ATOM 768 N GLU A 52 -16.514 12.715 -23.345 1.00 1.00 N +ATOM 769 CA GLU A 52 -17.921 12.652 -23.706 1.00 1.00 C +ATOM 770 C GLU A 52 -18.387 11.197 -23.771 1.00 1.00 C +ATOM 771 O GLU A 52 -18.961 10.769 -24.772 1.00 1.00 O +ATOM 772 CB GLU A 52 -18.179 13.371 -25.033 1.00 1.00 C +ATOM 773 CG GLU A 52 -18.241 14.887 -24.833 1.00 1.00 C +ATOM 774 CD GLU A 52 -18.173 15.620 -26.174 1.00 1.00 C +ATOM 775 OE1 GLU A 52 -17.492 15.089 -27.077 1.00 1.00 O +ATOM 776 OE2 GLU A 52 -18.804 16.694 -26.265 1.00 1.00 O +ATOM 777 H GLU A 52 -15.899 12.968 -24.090 1.00 1.00 H +ATOM 778 HA GLU A 52 -18.449 13.175 -22.908 1.00 1.00 H +ATOM 779 HB2 GLU A 52 -17.389 13.127 -25.742 1.00 1.00 H +ATOM 780 HB3 GLU A 52 -19.116 13.019 -25.464 1.00 1.00 H +ATOM 781 HG2 GLU A 52 -19.162 15.152 -24.315 1.00 1.00 H +ATOM 782 HG3 GLU A 52 -17.415 15.206 -24.196 1.00 1.00 H +ATOM 783 N GLY A 53 -18.126 10.477 -22.691 1.00 1.00 N +ATOM 784 CA GLY A 53 -18.512 9.077 -22.612 1.00 1.00 C +ATOM 785 C GLY A 53 -17.336 8.163 -22.960 1.00 1.00 C +ATOM 786 O GLY A 53 -17.269 7.027 -22.496 1.00 1.00 O +ATOM 787 H GLY A 53 -17.659 10.832 -21.881 1.00 1.00 H +ATOM 788 HA2 GLY A 53 -18.868 8.851 -21.607 1.00 1.00 H +ATOM 789 HA3 GLY A 53 -19.339 8.886 -23.295 1.00 1.00 H +ATOM 790 N ARG A 54 -16.436 8.695 -23.776 1.00 1.00 N +ATOM 791 CA ARG A 54 -15.265 7.941 -24.191 1.00 1.00 C +ATOM 792 C ARG A 54 -14.239 7.886 -23.058 1.00 1.00 C +ATOM 793 O ARG A 54 -14.121 8.830 -22.277 1.00 1.00 O +ATOM 794 CB ARG A 54 -14.616 8.569 -25.427 1.00 1.00 C +ATOM 795 CG ARG A 54 -14.234 10.026 -25.164 1.00 1.00 C +ATOM 796 CD ARG A 54 -13.141 10.488 -26.131 1.00 1.00 C +ATOM 797 NE ARG A 54 -13.704 11.439 -27.116 1.00 1.00 N +ATOM 798 CZ ARG A 54 -13.239 11.598 -28.361 1.00 1.00 C +ATOM 799 NH1 ARG A 54 -12.198 10.866 -28.784 1.00 1.00 N +ATOM 800 NH2 ARG A 54 -13.812 12.485 -29.185 1.00 1.00 N +ATOM 801 H ARG A 54 -16.497 9.621 -24.149 1.00 1.00 H +ATOM 802 HA ARG A 54 -15.643 6.947 -24.427 1.00 1.00 H +ATOM 803 HB2 ARG A 54 -13.729 7.999 -25.705 1.00 1.00 H +ATOM 804 HB3 ARG A 54 -15.306 8.516 -26.271 1.00 1.00 H +ATOM 805 HG2 ARG A 54 -15.112 10.662 -25.272 1.00 1.00 H +ATOM 806 HG3 ARG A 54 -13.884 10.135 -24.138 1.00 1.00 H +ATOM 807 HD2 ARG A 54 -12.330 10.963 -25.577 1.00 1.00 H +ATOM 808 HD3 ARG A 54 -12.714 9.629 -26.649 1.00 1.00 H +ATOM 809 HE ARG A 54 -14.483 12.001 -26.832 1.00 1.00 H +ATOM 810 HH11 ARG A 54 -11.769 10.204 -28.169 1.00 1.00 H +ATOM 811 HH12 ARG A 54 -11.848 10.983 -29.714 1.00 1.00 H +ATOM 812 HH21 ARG A 54 -14.589 13.030 -28.869 1.00 1.00 H +ATOM 813 HH22 ARG A 54 -13.464 12.601 -30.115 1.00 1.00 H +ATOM 814 N VAL A 55 -13.523 6.773 -23.005 1.00 1.00 N +ATOM 815 CA VAL A 55 -12.511 6.582 -21.980 1.00 1.00 C +ATOM 816 C VAL A 55 -11.146 6.393 -22.646 1.00 1.00 C +ATOM 817 O VAL A 55 -10.955 5.461 -23.423 1.00 1.00 O +ATOM 818 CB VAL A 55 -12.899 5.414 -21.071 1.00 1.00 C +ATOM 819 CG1 VAL A 55 -11.728 5.002 -20.176 1.00 1.00 C +ATOM 820 CG2 VAL A 55 -14.134 5.757 -20.235 1.00 1.00 C +ATOM 821 H VAL A 55 -13.625 6.010 -23.645 1.00 1.00 H +ATOM 822 HA VAL A 55 -12.483 7.487 -21.373 1.00 1.00 H +ATOM 823 HB VAL A 55 -13.150 4.564 -21.706 1.00 1.00 H +ATOM 824 HG11 VAL A 55 -11.253 5.893 -19.767 1.00 1.00 H +ATOM 825 HG12 VAL A 55 -12.095 4.379 -19.362 1.00 1.00 H +ATOM 826 HG13 VAL A 55 -11.002 4.441 -20.765 1.00 1.00 H +ATOM 827 HG21 VAL A 55 -14.323 6.830 -20.288 1.00 1.00 H +ATOM 828 HG22 VAL A 55 -14.997 5.217 -20.624 1.00 1.00 H +ATOM 829 HG23 VAL A 55 -13.962 5.468 -19.199 1.00 1.00 H +ATOM 830 N TYR A 56 -10.234 7.295 -22.316 1.00 1.00 N +ATOM 831 CA TYR A 56 -8.892 7.241 -22.872 1.00 1.00 C +ATOM 832 C TYR A 56 -7.961 6.418 -21.977 1.00 1.00 C +ATOM 833 O TYR A 56 -7.900 6.640 -20.770 1.00 1.00 O +ATOM 834 CB TYR A 56 -8.393 8.686 -22.916 1.00 1.00 C +ATOM 835 CG TYR A 56 -8.882 9.477 -24.131 1.00 1.00 C +ATOM 836 CD1 TYR A 56 -8.576 9.044 -25.405 1.00 1.00 C +ATOM 837 CD2 TYR A 56 -9.631 10.623 -23.952 1.00 1.00 C +ATOM 838 CE1 TYR A 56 -9.037 9.789 -26.548 1.00 1.00 C +ATOM 839 CE2 TYR A 56 -10.091 11.368 -25.097 1.00 1.00 C +ATOM 840 CZ TYR A 56 -9.771 10.913 -26.337 1.00 1.00 C +ATOM 841 OH TYR A 56 -10.206 11.616 -27.418 1.00 1.00 O +ATOM 842 H TYR A 56 -10.397 8.052 -21.682 1.00 1.00 H +ATOM 843 HA TYR A 56 -8.953 6.767 -23.852 1.00 1.00 H +ATOM 844 HB2 TYR A 56 -8.715 9.198 -22.009 1.00 1.00 H +ATOM 845 HB3 TYR A 56 -7.304 8.684 -22.911 1.00 1.00 H +ATOM 846 HD1 TYR A 56 -7.986 8.139 -25.545 1.00 1.00 H +ATOM 847 HD2 TYR A 56 -9.873 10.966 -22.946 1.00 1.00 H +ATOM 848 HE1 TYR A 56 -8.802 9.457 -27.559 1.00 1.00 H +ATOM 849 HE2 TYR A 56 -10.683 12.274 -24.970 1.00 1.00 H +ATOM 850 HH TYR A 56 -10.815 12.353 -27.123 1.00 1.00 H +ATOM 851 N HIS A 57 -7.257 5.489 -22.606 1.00 1.00 N +ATOM 852 CA HIS A 57 -6.332 4.633 -21.884 1.00 1.00 C +ATOM 853 C HIS A 57 -4.898 4.944 -22.319 1.00 1.00 C +ATOM 854 O HIS A 57 -4.418 4.406 -23.316 1.00 1.00 O +ATOM 855 CB HIS A 57 -6.700 3.160 -22.065 1.00 1.00 C +ATOM 856 CG HIS A 57 -8.171 2.867 -21.886 1.00 1.00 C +ATOM 857 ND1 HIS A 57 -8.686 2.286 -20.741 1.00 1.00 N +ATOM 858 CD2 HIS A 57 -9.230 3.082 -22.718 1.00 1.00 C +ATOM 859 CE1 HIS A 57 -9.997 2.160 -20.889 1.00 1.00 C +ATOM 860 NE2 HIS A 57 -10.332 2.654 -22.115 1.00 1.00 N +ATOM 861 H HIS A 57 -7.312 5.315 -23.590 1.00 1.00 H +ATOM 862 HA HIS A 57 -6.444 4.876 -20.828 1.00 1.00 H +ATOM 863 HB2 HIS A 57 -6.395 2.838 -23.061 1.00 1.00 H +ATOM 864 HB3 HIS A 57 -6.132 2.562 -21.350 1.00 1.00 H +ATOM 865 HD1 HIS A 57 -8.159 2.006 -19.938 1.00 1.00 H +ATOM 866 HD2 HIS A 57 -9.178 3.531 -23.711 1.00 1.00 H +ATOM 867 HE1 HIS A 57 -10.686 1.738 -20.158 1.00 1.00 H +ATOM 868 N TYR A 58 -4.256 5.811 -21.550 1.00 1.00 N +ATOM 869 CA TYR A 58 -2.887 6.199 -21.843 1.00 1.00 C +ATOM 870 C TYR A 58 -2.010 6.104 -20.592 1.00 1.00 C +ATOM 871 O TYR A 58 -2.339 6.677 -19.554 1.00 1.00 O +ATOM 872 CB TYR A 58 -2.951 7.660 -22.296 1.00 1.00 C +ATOM 873 CG TYR A 58 -2.710 7.858 -23.793 1.00 1.00 C +ATOM 874 CD1 TYR A 58 -1.422 7.852 -24.292 1.00 1.00 C +ATOM 875 CD2 TYR A 58 -3.778 8.041 -24.647 1.00 1.00 C +ATOM 876 CE1 TYR A 58 -1.194 8.039 -25.701 1.00 1.00 C +ATOM 877 CE2 TYR A 58 -3.551 8.227 -26.056 1.00 1.00 C +ATOM 878 CZ TYR A 58 -2.270 8.217 -26.515 1.00 1.00 C +ATOM 879 OH TYR A 58 -2.054 8.392 -27.845 1.00 1.00 O +ATOM 880 H TYR A 58 -4.654 6.243 -20.741 1.00 1.00 H +ATOM 881 HA TYR A 58 -2.500 5.521 -22.601 1.00 1.00 H +ATOM 882 HB2 TYR A 58 -3.930 8.066 -22.040 1.00 1.00 H +ATOM 883 HB3 TYR A 58 -2.211 8.235 -21.740 1.00 1.00 H +ATOM 884 HD1 TYR A 58 -0.578 7.708 -23.617 1.00 1.00 H +ATOM 885 HD2 TYR A 58 -4.795 8.044 -24.254 1.00 1.00 H +ATOM 886 HE1 TYR A 58 -0.182 8.037 -26.106 1.00 1.00 H +ATOM 887 HE2 TYR A 58 -4.386 8.373 -26.742 1.00 1.00 H +ATOM 888 HH TYR A 58 -2.070 7.509 -28.313 1.00 1.00 H +ATOM 889 N ARG A 59 -0.912 5.378 -20.733 1.00 1.00 N +ATOM 890 CA ARG A 59 0.016 5.200 -19.628 1.00 1.00 C +ATOM 891 C ARG A 59 0.823 6.480 -19.401 1.00 1.00 C +ATOM 892 O ARG A 59 1.003 7.275 -20.323 1.00 1.00 O +ATOM 893 CB ARG A 59 0.975 4.040 -19.895 1.00 1.00 C +ATOM 894 CG ARG A 59 1.402 4.007 -21.363 1.00 1.00 C +ATOM 895 CD ARG A 59 2.768 3.336 -21.522 1.00 1.00 C +ATOM 896 NE ARG A 59 3.333 3.646 -22.856 1.00 1.00 N +ATOM 897 CZ ARG A 59 2.929 3.068 -23.995 1.00 1.00 C +ATOM 898 NH1 ARG A 59 1.956 2.146 -23.971 1.00 1.00 N +ATOM 899 NH2 ARG A 59 3.498 3.411 -25.158 1.00 1.00 N +ATOM 900 H ARG A 59 -0.651 4.916 -21.581 1.00 1.00 H +ATOM 901 HA ARG A 59 -0.616 4.978 -18.767 1.00 1.00 H +ATOM 902 HB2 ARG A 59 1.855 4.135 -19.258 1.00 1.00 H +ATOM 903 HB3 ARG A 59 0.494 3.097 -19.632 1.00 1.00 H +ATOM 904 HG2 ARG A 59 0.659 3.471 -21.952 1.00 1.00 H +ATOM 905 HG3 ARG A 59 1.445 5.024 -21.755 1.00 1.00 H +ATOM 906 HD2 ARG A 59 3.446 3.682 -20.743 1.00 1.00 H +ATOM 907 HD3 ARG A 59 2.668 2.258 -21.402 1.00 1.00 H +ATOM 908 HE ARG A 59 4.061 4.330 -22.909 1.00 1.00 H +ATOM 909 HH11 ARG A 59 1.531 1.890 -23.103 1.00 1.00 H +ATOM 910 HH12 ARG A 59 1.656 1.715 -24.821 1.00 1.00 H +ATOM 911 HH21 ARG A 59 4.224 4.099 -25.176 1.00 1.00 H +ATOM 912 HH22 ARG A 59 3.197 2.980 -26.009 1.00 1.00 H +ATOM 913 N ILE A 60 1.290 6.637 -18.172 1.00 1.00 N +ATOM 914 CA ILE A 60 2.075 7.807 -17.815 1.00 1.00 C +ATOM 915 C ILE A 60 3.432 7.738 -18.517 1.00 1.00 C +ATOM 916 O ILE A 60 4.165 8.726 -18.556 1.00 1.00 O +ATOM 917 CB ILE A 60 2.176 7.939 -16.294 1.00 1.00 C +ATOM 918 CG1 ILE A 60 0.796 7.833 -15.641 1.00 1.00 C +ATOM 919 CG2 ILE A 60 2.898 9.230 -15.903 1.00 1.00 C +ATOM 920 CD1 ILE A 60 0.845 6.942 -14.397 1.00 1.00 C +ATOM 921 H ILE A 60 1.140 5.986 -17.429 1.00 1.00 H +ATOM 922 HA ILE A 60 1.540 8.684 -18.178 1.00 1.00 H +ATOM 923 HB ILE A 60 2.775 7.109 -15.918 1.00 1.00 H +ATOM 924 HG12 ILE A 60 0.442 8.826 -15.368 1.00 1.00 H +ATOM 925 HG13 ILE A 60 0.082 7.426 -16.356 1.00 1.00 H +ATOM 926 HG21 ILE A 60 3.798 9.342 -16.508 1.00 1.00 H +ATOM 927 HG22 ILE A 60 2.237 10.081 -16.072 1.00 1.00 H +ATOM 928 HG23 ILE A 60 3.173 9.188 -14.847 1.00 1.00 H +ATOM 929 HD11 ILE A 60 1.317 5.993 -14.649 1.00 1.00 H +ATOM 930 HD12 ILE A 60 1.421 7.439 -13.617 1.00 1.00 H +ATOM 931 HD13 ILE A 60 -0.168 6.760 -14.041 1.00 1.00 H +ATOM 932 N ASN A 61 3.726 6.564 -19.055 1.00 1.00 N +ATOM 933 CA ASN A 61 4.982 6.354 -19.755 1.00 1.00 C +ATOM 934 C ASN A 61 6.146 6.624 -18.798 1.00 1.00 C +ATOM 935 O ASN A 61 6.046 7.481 -17.919 1.00 1.00 O +ATOM 936 CB ASN A 61 5.118 7.309 -20.942 1.00 1.00 C +ATOM 937 CG ASN A 61 6.471 7.136 -21.634 1.00 1.00 C +ATOM 938 OD1 ASN A 61 6.661 6.275 -22.478 1.00 1.00 O +ATOM 939 ND2 ASN A 61 7.399 8.001 -21.232 1.00 1.00 N +ATOM 940 H ASN A 61 3.125 5.767 -19.018 1.00 1.00 H +ATOM 941 HA ASN A 61 4.953 5.320 -20.092 1.00 1.00 H +ATOM 942 HB2 ASN A 61 4.314 7.124 -21.656 1.00 1.00 H +ATOM 943 HB3 ASN A 61 5.008 8.339 -20.601 1.00 1.00 H +ATOM 944 HD21 ASN A 61 7.176 8.684 -20.536 1.00 1.00 H +ATOM 945 HD22 ASN A 61 8.317 7.968 -21.627 1.00 1.00 H +ATOM 946 N THR A 62 7.222 5.881 -19.000 1.00 1.00 N +ATOM 947 CA THR A 62 8.403 6.028 -18.166 1.00 1.00 C +ATOM 948 C THR A 62 9.618 6.391 -19.022 1.00 1.00 C +ATOM 949 O THR A 62 9.637 6.125 -20.223 1.00 1.00 O +ATOM 950 CB THR A 62 8.584 4.735 -17.370 1.00 1.00 C +ATOM 951 OG1 THR A 62 7.372 4.610 -16.630 1.00 1.00 O +ATOM 952 CG2 THR A 62 9.665 4.857 -16.294 1.00 1.00 C +ATOM 953 H THR A 62 7.296 5.187 -19.718 1.00 1.00 H +ATOM 954 HA THR A 62 8.237 6.859 -17.480 1.00 1.00 H +ATOM 955 HB THR A 62 8.788 3.895 -18.033 1.00 1.00 H +ATOM 956 HG1 THR A 62 6.869 3.800 -16.933 1.00 1.00 H +ATOM 957 HG21 THR A 62 9.609 5.843 -15.832 1.00 1.00 H +ATOM 958 HG22 THR A 62 9.510 4.091 -15.534 1.00 1.00 H +ATOM 959 HG23 THR A 62 10.647 4.724 -16.748 1.00 1.00 H +ATOM 960 N ALA A 63 10.603 6.992 -18.371 1.00 1.00 N +ATOM 961 CA ALA A 63 11.820 7.392 -19.057 1.00 1.00 C +ATOM 962 C ALA A 63 12.802 6.220 -19.071 1.00 1.00 C +ATOM 963 O ALA A 63 13.986 6.393 -18.789 1.00 1.00 O +ATOM 964 CB ALA A 63 12.403 8.633 -18.379 1.00 1.00 C +ATOM 965 H ALA A 63 10.579 7.204 -17.394 1.00 1.00 H +ATOM 966 HA ALA A 63 11.553 7.645 -20.084 1.00 1.00 H +ATOM 967 HB1 ALA A 63 11.958 8.751 -17.390 1.00 1.00 H +ATOM 968 HB2 ALA A 63 13.482 8.520 -18.280 1.00 1.00 H +ATOM 969 HB3 ALA A 63 12.184 9.514 -18.982 1.00 1.00 H +ATOM 970 N SER A 64 12.273 5.050 -19.403 1.00 1.00 N +ATOM 971 CA SER A 64 13.090 3.849 -19.458 1.00 1.00 C +ATOM 972 C SER A 64 14.134 3.874 -18.340 1.00 1.00 C +ATOM 973 O SER A 64 15.242 3.370 -18.509 1.00 1.00 O +ATOM 974 CB SER A 64 13.773 3.710 -20.819 1.00 1.00 C +ATOM 975 OG SER A 64 14.772 4.707 -21.020 1.00 1.00 O +ATOM 976 H SER A 64 11.309 4.918 -19.632 1.00 1.00 H +ATOM 977 HA SER A 64 12.395 3.022 -19.314 1.00 1.00 H +ATOM 978 HB2 SER A 64 14.228 2.722 -20.897 1.00 1.00 H +ATOM 979 HB3 SER A 64 13.026 3.779 -21.610 1.00 1.00 H +ATOM 980 HG SER A 64 14.783 5.340 -20.246 1.00 1.00 H +ATOM 981 N ASP A 65 13.742 4.466 -17.222 1.00 1.00 N +ATOM 982 CA ASP A 65 14.630 4.563 -16.076 1.00 1.00 C +ATOM 983 C ASP A 65 13.804 4.500 -14.789 1.00 1.00 C +ATOM 984 O ASP A 65 14.072 3.676 -13.915 1.00 1.00 O +ATOM 985 CB ASP A 65 15.395 5.889 -16.081 1.00 1.00 C +ATOM 986 CG ASP A 65 16.717 5.869 -16.850 1.00 1.00 C +ATOM 987 OD1 ASP A 65 17.053 4.785 -17.373 1.00 1.00 O +ATOM 988 OD2 ASP A 65 17.362 6.940 -16.897 1.00 1.00 O +ATOM 989 H ASP A 65 12.838 4.874 -17.092 1.00 1.00 H +ATOM 990 HA ASP A 65 15.317 3.722 -16.172 1.00 1.00 H +ATOM 991 HB2 ASP A 65 14.753 6.659 -16.511 1.00 1.00 H +ATOM 992 HB3 ASP A 65 15.595 6.181 -15.050 1.00 1.00 H +ATOM 993 N GLY A 66 12.817 5.379 -14.713 1.00 1.00 N +ATOM 994 CA GLY A 66 11.950 5.434 -13.548 1.00 1.00 C +ATOM 995 C GLY A 66 10.950 6.586 -13.661 1.00 1.00 C +ATOM 996 O GLY A 66 9.741 6.365 -13.663 1.00 1.00 O +ATOM 997 H GLY A 66 12.606 6.046 -15.428 1.00 1.00 H +ATOM 998 HA2 GLY A 66 11.414 4.490 -13.445 1.00 1.00 H +ATOM 999 HA3 GLY A 66 12.552 5.557 -12.648 1.00 1.00 H +ATOM 1000 N LYS A 67 11.494 7.791 -13.752 1.00 1.00 N +ATOM 1001 CA LYS A 67 10.664 8.979 -13.865 1.00 1.00 C +ATOM 1002 C LYS A 67 9.544 8.720 -14.874 1.00 1.00 C +ATOM 1003 O LYS A 67 9.749 8.026 -15.868 1.00 1.00 O +ATOM 1004 CB LYS A 67 11.521 10.201 -14.199 1.00 1.00 C +ATOM 1005 CG LYS A 67 12.650 9.834 -15.166 1.00 1.00 C +ATOM 1006 CD LYS A 67 14.017 10.002 -14.501 1.00 1.00 C +ATOM 1007 CE LYS A 67 15.141 9.561 -15.442 1.00 1.00 C +ATOM 1008 NZ LYS A 67 16.446 10.068 -14.962 1.00 1.00 N +ATOM 1009 H LYS A 67 12.478 7.963 -13.749 1.00 1.00 H +ATOM 1010 HA LYS A 67 10.214 9.158 -12.889 1.00 1.00 H +ATOM 1011 HB2 LYS A 67 10.898 10.979 -14.640 1.00 1.00 H +ATOM 1012 HB3 LYS A 67 11.943 10.615 -13.282 1.00 1.00 H +ATOM 1013 HG2 LYS A 67 12.527 8.803 -15.497 1.00 1.00 H +ATOM 1014 HG3 LYS A 67 12.591 10.463 -16.053 1.00 1.00 H +ATOM 1015 HD2 LYS A 67 14.162 11.044 -14.218 1.00 1.00 H +ATOM 1016 HD3 LYS A 67 14.056 9.414 -13.584 1.00 1.00 H +ATOM 1017 HE2 LYS A 67 15.167 8.474 -15.504 1.00 1.00 H +ATOM 1018 HE3 LYS A 67 14.947 9.933 -16.448 1.00 1.00 H +ATOM 1019 HZ1 LYS A 67 16.425 10.155 -13.967 1.00 1.00 H +ATOM 1020 HZ2 LYS A 67 17.169 9.429 -15.226 1.00 1.00 H +ATOM 1021 HZ3 LYS A 67 16.628 10.963 -15.370 1.00 1.00 H +ATOM 1022 N LEU A 68 8.385 9.292 -14.584 1.00 1.00 N +ATOM 1023 CA LEU A 68 7.232 9.131 -15.455 1.00 1.00 C +ATOM 1024 C LEU A 68 7.039 10.406 -16.277 1.00 1.00 C +ATOM 1025 O LEU A 68 6.735 11.464 -15.728 1.00 1.00 O +ATOM 1026 CB LEU A 68 6.000 8.730 -14.642 1.00 1.00 C +ATOM 1027 CG LEU A 68 6.165 7.516 -13.726 1.00 1.00 C +ATOM 1028 CD1 LEU A 68 7.090 7.839 -12.550 1.00 1.00 C +ATOM 1029 CD2 LEU A 68 4.805 6.992 -13.259 1.00 1.00 C +ATOM 1030 H LEU A 68 8.227 9.855 -13.773 1.00 1.00 H +ATOM 1031 HA LEU A 68 7.451 8.309 -16.136 1.00 1.00 H +ATOM 1032 HB2 LEU A 68 5.698 9.582 -14.033 1.00 1.00 H +ATOM 1033 HB3 LEU A 68 5.183 8.530 -15.334 1.00 1.00 H +ATOM 1034 HG LEU A 68 6.638 6.718 -14.299 1.00 1.00 H +ATOM 1035 HD11 LEU A 68 6.980 8.888 -12.279 1.00 1.00 H +ATOM 1036 HD12 LEU A 68 6.825 7.213 -11.698 1.00 1.00 H +ATOM 1037 HD13 LEU A 68 8.122 7.643 -12.837 1.00 1.00 H +ATOM 1038 HD21 LEU A 68 4.283 7.776 -12.710 1.00 1.00 H +ATOM 1039 HD22 LEU A 68 4.213 6.698 -14.126 1.00 1.00 H +ATOM 1040 HD23 LEU A 68 4.953 6.130 -12.610 1.00 1.00 H +ATOM 1041 N TYR A 69 7.222 10.263 -17.582 1.00 1.00 N +ATOM 1042 CA TYR A 69 7.072 11.390 -18.486 1.00 1.00 C +ATOM 1043 C TYR A 69 6.158 11.033 -19.661 1.00 1.00 C +ATOM 1044 O TYR A 69 6.419 10.072 -20.384 1.00 1.00 O +ATOM 1045 CB TYR A 69 8.473 11.694 -19.019 1.00 1.00 C +ATOM 1046 CG TYR A 69 8.800 10.999 -20.344 1.00 1.00 C +ATOM 1047 CD1 TYR A 69 8.133 11.362 -21.497 1.00 1.00 C +ATOM 1048 CD2 TYR A 69 9.761 10.010 -20.385 1.00 1.00 C +ATOM 1049 CE1 TYR A 69 8.441 10.709 -22.741 1.00 1.00 C +ATOM 1050 CE2 TYR A 69 10.067 9.356 -21.630 1.00 1.00 C +ATOM 1051 CZ TYR A 69 9.393 9.738 -22.747 1.00 1.00 C +ATOM 1052 OH TYR A 69 9.683 9.121 -23.924 1.00 1.00 O +ATOM 1053 H TYR A 69 7.468 9.399 -18.021 1.00 1.00 H +ATOM 1054 HA TYR A 69 6.627 12.214 -17.928 1.00 1.00 H +ATOM 1055 HB2 TYR A 69 8.575 12.772 -19.151 1.00 1.00 H +ATOM 1056 HB3 TYR A 69 9.208 11.393 -18.273 1.00 1.00 H +ATOM 1057 HD1 TYR A 69 7.376 12.145 -21.464 1.00 1.00 H +ATOM 1058 HD2 TYR A 69 10.286 9.722 -19.473 1.00 1.00 H +ATOM 1059 HE1 TYR A 69 7.923 10.987 -23.660 1.00 1.00 H +ATOM 1060 HE2 TYR A 69 10.824 8.572 -21.676 1.00 1.00 H +ATOM 1061 HH TYR A 69 10.033 8.199 -23.750 1.00 1.00 H +ATOM 1062 N VAL A 70 5.108 11.824 -19.816 1.00 1.00 N +ATOM 1063 CA VAL A 70 4.156 11.604 -20.890 1.00 1.00 C +ATOM 1064 C VAL A 70 4.654 12.299 -22.159 1.00 1.00 C +ATOM 1065 O VAL A 70 4.284 11.915 -23.267 1.00 1.00 O +ATOM 1066 CB VAL A 70 2.763 12.071 -20.460 1.00 1.00 C +ATOM 1067 CG1 VAL A 70 1.695 11.589 -21.444 1.00 1.00 C +ATOM 1068 CG2 VAL A 70 2.446 11.606 -19.037 1.00 1.00 C +ATOM 1069 H VAL A 70 4.904 12.603 -19.223 1.00 1.00 H +ATOM 1070 HA VAL A 70 4.111 10.530 -21.073 1.00 1.00 H +ATOM 1071 HB VAL A 70 2.758 13.159 -20.465 1.00 1.00 H +ATOM 1072 HG11 VAL A 70 2.164 11.348 -22.399 1.00 1.00 H +ATOM 1073 HG12 VAL A 70 1.206 10.701 -21.045 1.00 1.00 H +ATOM 1074 HG13 VAL A 70 0.956 12.376 -21.591 1.00 1.00 H +ATOM 1075 HG21 VAL A 70 3.230 10.934 -18.689 1.00 1.00 H +ATOM 1076 HG22 VAL A 70 2.391 12.472 -18.377 1.00 1.00 H +ATOM 1077 HG23 VAL A 70 1.489 11.083 -19.031 1.00 1.00 H +ATOM 1078 N SER A 71 5.483 13.310 -21.953 1.00 1.00 N +ATOM 1079 CA SER A 71 6.036 14.064 -23.066 1.00 1.00 C +ATOM 1080 C SER A 71 7.519 13.727 -23.241 1.00 1.00 C +ATOM 1081 O SER A 71 7.898 13.055 -24.199 1.00 1.00 O +ATOM 1082 CB SER A 71 5.854 15.568 -22.858 1.00 1.00 C +ATOM 1083 OG SER A 71 7.060 16.289 -23.097 1.00 1.00 O +ATOM 1084 H SER A 71 5.780 13.616 -21.048 1.00 1.00 H +ATOM 1085 HA SER A 71 5.466 13.747 -23.940 1.00 1.00 H +ATOM 1086 HB2 SER A 71 5.074 15.934 -23.524 1.00 1.00 H +ATOM 1087 HB3 SER A 71 5.516 15.755 -21.839 1.00 1.00 H +ATOM 1088 HG SER A 71 6.906 16.990 -23.793 1.00 1.00 H +ATOM 1089 N SER A 72 8.317 14.210 -22.300 1.00 1.00 N +ATOM 1090 CA SER A 72 9.750 13.970 -22.339 1.00 1.00 C +ATOM 1091 C SER A 72 10.475 14.993 -21.463 1.00 1.00 C +ATOM 1092 O SER A 72 11.269 14.623 -20.599 1.00 1.00 O +ATOM 1093 CB SER A 72 10.279 14.028 -23.774 1.00 1.00 C +ATOM 1094 OG SER A 72 9.548 14.950 -24.576 1.00 1.00 O +ATOM 1095 H SER A 72 8.000 14.756 -21.524 1.00 1.00 H +ATOM 1096 HA SER A 72 9.883 12.963 -21.943 1.00 1.00 H +ATOM 1097 HB2 SER A 72 11.332 14.313 -23.759 1.00 1.00 H +ATOM 1098 HB3 SER A 72 10.225 13.036 -24.221 1.00 1.00 H +ATOM 1099 HG SER A 72 9.000 15.551 -23.993 1.00 1.00 H +ATOM 1100 N GLU A 73 10.178 16.258 -21.716 1.00 1.00 N +ATOM 1101 CA GLU A 73 10.792 17.337 -20.962 1.00 1.00 C +ATOM 1102 C GLU A 73 9.960 17.656 -19.717 1.00 1.00 C +ATOM 1103 O GLU A 73 10.317 18.537 -18.936 1.00 1.00 O +ATOM 1104 CB GLU A 73 10.975 18.581 -21.833 1.00 1.00 C +ATOM 1105 CG GLU A 73 12.425 19.068 -21.795 1.00 1.00 C +ATOM 1106 CD GLU A 73 12.650 20.198 -22.803 1.00 1.00 C +ATOM 1107 OE1 GLU A 73 11.966 20.169 -23.850 1.00 1.00 O +ATOM 1108 OE2 GLU A 73 13.499 21.065 -22.504 1.00 1.00 O +ATOM 1109 H GLU A 73 9.531 16.551 -22.420 1.00 1.00 H +ATOM 1110 HA GLU A 73 11.772 16.962 -20.665 1.00 1.00 H +ATOM 1111 HB2 GLU A 73 10.691 18.355 -22.860 1.00 1.00 H +ATOM 1112 HB3 GLU A 73 10.312 19.374 -21.485 1.00 1.00 H +ATOM 1113 HG2 GLU A 73 12.669 19.418 -20.791 1.00 1.00 H +ATOM 1114 HG3 GLU A 73 13.097 18.241 -22.015 1.00 1.00 H +ATOM 1115 N SER A 74 8.866 16.923 -19.572 1.00 1.00 N +ATOM 1116 CA SER A 74 7.980 17.117 -18.438 1.00 1.00 C +ATOM 1117 C SER A 74 7.836 15.809 -17.657 1.00 1.00 C +ATOM 1118 O SER A 74 6.723 15.380 -17.356 1.00 1.00 O +ATOM 1119 CB SER A 74 6.606 17.617 -18.890 1.00 1.00 C +ATOM 1120 OG SER A 74 6.683 18.359 -20.105 1.00 1.00 O +ATOM 1121 H SER A 74 8.583 16.209 -20.214 1.00 1.00 H +ATOM 1122 HA SER A 74 8.461 17.878 -17.823 1.00 1.00 H +ATOM 1123 HB2 SER A 74 5.937 16.769 -19.024 1.00 1.00 H +ATOM 1124 HB3 SER A 74 6.176 18.245 -18.109 1.00 1.00 H +ATOM 1125 HG SER A 74 5.892 18.964 -20.187 1.00 1.00 H +ATOM 1126 N ARG A 75 8.979 15.211 -17.351 1.00 1.00 N +ATOM 1127 CA ARG A 75 8.994 13.961 -16.611 1.00 1.00 C +ATOM 1128 C ARG A 75 8.645 14.209 -15.142 1.00 1.00 C +ATOM 1129 O ARG A 75 8.885 15.294 -14.618 1.00 1.00 O +ATOM 1130 CB ARG A 75 10.366 13.288 -16.694 1.00 1.00 C +ATOM 1131 CG ARG A 75 11.490 14.321 -16.592 1.00 1.00 C +ATOM 1132 CD ARG A 75 12.540 14.098 -17.683 1.00 1.00 C +ATOM 1133 NE ARG A 75 13.504 15.221 -17.693 1.00 1.00 N +ATOM 1134 CZ ARG A 75 14.416 15.436 -16.735 1.00 1.00 C +ATOM 1135 NH1 ARG A 75 14.492 14.608 -15.683 1.00 1.00 N +ATOM 1136 NH2 ARG A 75 15.251 16.481 -16.825 1.00 1.00 N +ATOM 1137 H ARG A 75 9.880 15.566 -17.600 1.00 1.00 H +ATOM 1138 HA ARG A 75 8.239 13.340 -17.095 1.00 1.00 H +ATOM 1139 HB2 ARG A 75 10.465 12.556 -15.894 1.00 1.00 H +ATOM 1140 HB3 ARG A 75 10.452 12.744 -17.635 1.00 1.00 H +ATOM 1141 HG2 ARG A 75 11.076 15.325 -16.680 1.00 1.00 H +ATOM 1142 HG3 ARG A 75 11.961 14.255 -15.610 1.00 1.00 H +ATOM 1143 HD2 ARG A 75 13.064 13.159 -17.509 1.00 1.00 H +ATOM 1144 HD3 ARG A 75 12.055 14.018 -18.655 1.00 1.00 H +ATOM 1145 HE ARG A 75 13.474 15.857 -18.463 1.00 1.00 H +ATOM 1146 HH11 ARG A 75 13.869 13.830 -15.615 1.00 1.00 H +ATOM 1147 HH12 ARG A 75 15.171 14.770 -14.968 1.00 1.00 H +ATOM 1148 HH21 ARG A 75 15.193 17.099 -17.611 1.00 1.00 H +ATOM 1149 HH22 ARG A 75 15.931 16.641 -16.111 1.00 1.00 H +ATOM 1150 N PHE A 76 8.083 13.183 -14.519 1.00 1.00 N +ATOM 1151 CA PHE A 76 7.698 13.276 -13.122 1.00 1.00 C +ATOM 1152 C PHE A 76 8.022 11.980 -12.375 1.00 1.00 C +ATOM 1153 O PHE A 76 7.671 10.893 -12.832 1.00 1.00 O +ATOM 1154 CB PHE A 76 6.185 13.505 -13.089 1.00 1.00 C +ATOM 1155 CG PHE A 76 5.741 14.825 -13.722 1.00 1.00 C +ATOM 1156 CD1 PHE A 76 5.442 14.877 -15.047 1.00 1.00 C +ATOM 1157 CD2 PHE A 76 5.647 15.947 -12.959 1.00 1.00 C +ATOM 1158 CE1 PHE A 76 5.031 16.103 -15.635 1.00 1.00 C +ATOM 1159 CE2 PHE A 76 5.235 17.172 -13.546 1.00 1.00 C +ATOM 1160 CZ PHE A 76 4.936 17.224 -14.872 1.00 1.00 C +ATOM 1161 H PHE A 76 7.891 12.303 -14.953 1.00 1.00 H +ATOM 1162 HA PHE A 76 8.265 14.096 -12.683 1.00 1.00 H +ATOM 1163 HB2 PHE A 76 5.692 12.682 -13.606 1.00 1.00 H +ATOM 1164 HB3 PHE A 76 5.846 13.479 -12.053 1.00 1.00 H +ATOM 1165 HD1 PHE A 76 5.518 13.979 -15.659 1.00 1.00 H +ATOM 1166 HD2 PHE A 76 5.887 15.905 -11.896 1.00 1.00 H +ATOM 1167 HE1 PHE A 76 4.790 16.143 -16.697 1.00 1.00 H +ATOM 1168 HE2 PHE A 76 5.159 18.071 -12.936 1.00 1.00 H +ATOM 1169 HZ PHE A 76 4.619 18.165 -15.323 1.00 1.00 H +ATOM 1170 N ASN A 77 8.688 12.137 -11.242 1.00 1.00 N +ATOM 1171 CA ASN A 77 9.063 10.994 -10.428 1.00 1.00 C +ATOM 1172 C ASN A 77 7.801 10.351 -9.848 1.00 1.00 C +ATOM 1173 O ASN A 77 7.713 9.127 -9.753 1.00 1.00 O +ATOM 1174 CB ASN A 77 9.957 11.416 -9.260 1.00 1.00 C +ATOM 1175 CG ASN A 77 11.434 11.361 -9.653 1.00 1.00 C +ATOM 1176 OD1 ASN A 77 11.874 10.498 -10.396 1.00 1.00 O +ATOM 1177 ND2 ASN A 77 12.174 12.325 -9.114 1.00 1.00 N +ATOM 1178 H ASN A 77 8.969 13.025 -10.878 1.00 1.00 H +ATOM 1179 HA ASN A 77 9.599 10.326 -11.102 1.00 1.00 H +ATOM 1180 HB2 ASN A 77 9.697 12.430 -8.948 1.00 1.00 H +ATOM 1181 HB3 ASN A 77 9.778 10.764 -8.406 1.00 1.00 H +ATOM 1182 HD21 ASN A 77 11.750 13.004 -8.512 1.00 1.00 H +ATOM 1183 HD22 ASN A 77 13.153 12.373 -9.310 1.00 1.00 H +ATOM 1184 N THR A 78 6.858 11.202 -9.476 1.00 1.00 N +ATOM 1185 CA THR A 78 5.606 10.732 -8.909 1.00 1.00 C +ATOM 1186 C THR A 78 4.444 11.032 -9.858 1.00 1.00 C +ATOM 1187 O THR A 78 4.234 12.180 -10.245 1.00 1.00 O +ATOM 1188 CB THR A 78 5.442 11.370 -7.528 1.00 1.00 C +ATOM 1189 OG1 THR A 78 5.958 12.688 -7.693 1.00 1.00 O +ATOM 1190 CG2 THR A 78 6.359 10.740 -6.480 1.00 1.00 C +ATOM 1191 H THR A 78 6.938 12.197 -9.558 1.00 1.00 H +ATOM 1192 HA THR A 78 5.661 9.649 -8.805 1.00 1.00 H +ATOM 1193 HB THR A 78 4.402 11.339 -7.206 1.00 1.00 H +ATOM 1194 HG1 THR A 78 6.257 13.051 -6.809 1.00 1.00 H +ATOM 1195 HG21 THR A 78 6.712 9.773 -6.839 1.00 1.00 H +ATOM 1196 HG22 THR A 78 7.213 11.394 -6.301 1.00 1.00 H +ATOM 1197 HG23 THR A 78 5.808 10.601 -5.550 1.00 1.00 H +ATOM 1198 N LEU A 79 3.718 9.979 -10.206 1.00 1.00 N +ATOM 1199 CA LEU A 79 2.583 10.114 -11.103 1.00 1.00 C +ATOM 1200 C LEU A 79 1.755 11.333 -10.688 1.00 1.00 C +ATOM 1201 O LEU A 79 1.428 12.178 -11.519 1.00 1.00 O +ATOM 1202 CB LEU A 79 1.781 8.813 -11.152 1.00 1.00 C +ATOM 1203 CG LEU A 79 1.635 8.063 -9.827 1.00 1.00 C +ATOM 1204 CD1 LEU A 79 0.255 7.415 -9.712 1.00 1.00 C +ATOM 1205 CD2 LEU A 79 2.764 7.045 -9.646 1.00 1.00 C +ATOM 1206 H LEU A 79 3.895 9.047 -9.886 1.00 1.00 H +ATOM 1207 HA LEU A 79 2.977 10.289 -12.103 1.00 1.00 H +ATOM 1208 HB2 LEU A 79 0.784 9.038 -11.531 1.00 1.00 H +ATOM 1209 HB3 LEU A 79 2.254 8.146 -11.874 1.00 1.00 H +ATOM 1210 HG LEU A 79 1.721 8.786 -9.015 1.00 1.00 H +ATOM 1211 HD11 LEU A 79 -0.364 7.726 -10.554 1.00 1.00 H +ATOM 1212 HD12 LEU A 79 0.360 6.330 -9.719 1.00 1.00 H +ATOM 1213 HD13 LEU A 79 -0.218 7.728 -8.780 1.00 1.00 H +ATOM 1214 HD21 LEU A 79 3.311 6.939 -10.583 1.00 1.00 H +ATOM 1215 HD22 LEU A 79 3.442 7.389 -8.865 1.00 1.00 H +ATOM 1216 HD23 LEU A 79 2.341 6.082 -9.361 1.00 1.00 H +ATOM 1217 N ALA A 80 1.439 11.383 -9.403 1.00 1.00 N +ATOM 1218 CA ALA A 80 0.655 12.483 -8.867 1.00 1.00 C +ATOM 1219 C ALA A 80 1.202 13.805 -9.409 1.00 1.00 C +ATOM 1220 O ALA A 80 0.455 14.608 -9.967 1.00 1.00 O +ATOM 1221 CB ALA A 80 0.674 12.427 -7.338 1.00 1.00 C +ATOM 1222 H ALA A 80 1.709 10.692 -8.733 1.00 1.00 H +ATOM 1223 HA ALA A 80 -0.372 12.357 -9.210 1.00 1.00 H +ATOM 1224 HB1 ALA A 80 1.318 11.611 -7.012 1.00 1.00 H +ATOM 1225 HB2 ALA A 80 1.054 13.371 -6.945 1.00 1.00 H +ATOM 1226 HB3 ALA A 80 -0.339 12.262 -6.969 1.00 1.00 H +ATOM 1227 N GLU A 81 2.501 13.989 -9.228 1.00 1.00 N +ATOM 1228 CA GLU A 81 3.158 15.200 -9.694 1.00 1.00 C +ATOM 1229 C GLU A 81 2.840 15.442 -11.170 1.00 1.00 C +ATOM 1230 O GLU A 81 2.711 16.587 -11.600 1.00 1.00 O +ATOM 1231 CB GLU A 81 4.668 15.128 -9.461 1.00 1.00 C +ATOM 1232 CG GLU A 81 5.178 16.395 -8.774 1.00 1.00 C +ATOM 1233 CD GLU A 81 6.517 16.140 -8.080 1.00 1.00 C +ATOM 1234 OE1 GLU A 81 7.430 15.643 -8.772 1.00 1.00 O +ATOM 1235 OE2 GLU A 81 6.599 16.451 -6.871 1.00 1.00 O +ATOM 1236 H GLU A 81 3.102 13.330 -8.775 1.00 1.00 H +ATOM 1237 HA GLU A 81 2.742 16.005 -9.088 1.00 1.00 H +ATOM 1238 HB2 GLU A 81 4.906 14.258 -8.850 1.00 1.00 H +ATOM 1239 HB3 GLU A 81 5.180 14.997 -10.416 1.00 1.00 H +ATOM 1240 HG2 GLU A 81 5.292 17.192 -9.509 1.00 1.00 H +ATOM 1241 HG3 GLU A 81 4.445 16.737 -8.043 1.00 1.00 H +ATOM 1242 N LEU A 82 2.722 14.347 -11.905 1.00 1.00 N +ATOM 1243 CA LEU A 82 2.421 14.426 -13.324 1.00 1.00 C +ATOM 1244 C LEU A 82 1.009 14.986 -13.511 1.00 1.00 C +ATOM 1245 O LEU A 82 0.825 16.011 -14.164 1.00 1.00 O +ATOM 1246 CB LEU A 82 2.639 13.069 -13.995 1.00 1.00 C +ATOM 1247 CG LEU A 82 2.410 13.024 -15.507 1.00 1.00 C +ATOM 1248 CD1 LEU A 82 3.637 12.467 -16.232 1.00 1.00 C +ATOM 1249 CD2 LEU A 82 1.140 12.240 -15.845 1.00 1.00 C +ATOM 1250 H LEU A 82 2.827 13.420 -11.547 1.00 1.00 H +ATOM 1251 HA LEU A 82 3.130 15.124 -13.770 1.00 1.00 H +ATOM 1252 HB2 LEU A 82 3.661 12.746 -13.794 1.00 1.00 H +ATOM 1253 HB3 LEU A 82 1.977 12.343 -13.526 1.00 1.00 H +ATOM 1254 HG LEU A 82 2.262 14.044 -15.861 1.00 1.00 H +ATOM 1255 HD11 LEU A 82 4.464 12.374 -15.527 1.00 1.00 H +ATOM 1256 HD12 LEU A 82 3.400 11.487 -16.646 1.00 1.00 H +ATOM 1257 HD13 LEU A 82 3.920 13.144 -17.038 1.00 1.00 H +ATOM 1258 HD21 LEU A 82 1.071 11.364 -15.200 1.00 1.00 H +ATOM 1259 HD22 LEU A 82 0.268 12.876 -15.690 1.00 1.00 H +ATOM 1260 HD23 LEU A 82 1.175 11.921 -16.887 1.00 1.00 H +ATOM 1261 N VAL A 83 0.048 14.286 -12.926 1.00 1.00 N +ATOM 1262 CA VAL A 83 -1.342 14.698 -13.022 1.00 1.00 C +ATOM 1263 C VAL A 83 -1.466 16.160 -12.583 1.00 1.00 C +ATOM 1264 O VAL A 83 -2.320 16.890 -13.082 1.00 1.00 O +ATOM 1265 CB VAL A 83 -2.225 13.752 -12.206 1.00 1.00 C +ATOM 1266 CG1 VAL A 83 -3.279 14.531 -11.414 1.00 1.00 C +ATOM 1267 CG2 VAL A 83 -2.882 12.704 -13.106 1.00 1.00 C +ATOM 1268 H VAL A 83 0.206 13.452 -12.398 1.00 1.00 H +ATOM 1269 HA VAL A 83 -1.638 14.620 -14.068 1.00 1.00 H +ATOM 1270 HB VAL A 83 -1.589 13.231 -11.492 1.00 1.00 H +ATOM 1271 HG11 VAL A 83 -3.619 15.383 -12.003 1.00 1.00 H +ATOM 1272 HG12 VAL A 83 -4.124 13.879 -11.194 1.00 1.00 H +ATOM 1273 HG13 VAL A 83 -2.841 14.886 -10.480 1.00 1.00 H +ATOM 1274 HG21 VAL A 83 -3.094 13.143 -14.081 1.00 1.00 H +ATOM 1275 HG22 VAL A 83 -2.208 11.856 -13.228 1.00 1.00 H +ATOM 1276 HG23 VAL A 83 -3.812 12.364 -12.650 1.00 1.00 H +ATOM 1277 N HIS A 84 -0.601 16.541 -11.655 1.00 1.00 N +ATOM 1278 CA HIS A 84 -0.603 17.900 -11.144 1.00 1.00 C +ATOM 1279 C HIS A 84 -0.306 18.877 -12.283 1.00 1.00 C +ATOM 1280 O HIS A 84 -1.014 19.868 -12.459 1.00 1.00 O +ATOM 1281 CB HIS A 84 0.370 18.042 -9.971 1.00 1.00 C +ATOM 1282 CG HIS A 84 -0.290 18.430 -8.669 1.00 1.00 C +ATOM 1283 ND1 HIS A 84 -1.604 18.117 -8.373 1.00 1.00 N +ATOM 1284 CD2 HIS A 84 0.199 19.107 -7.590 1.00 1.00 C +ATOM 1285 CE1 HIS A 84 -1.886 18.590 -7.167 1.00 1.00 C +ATOM 1286 NE2 HIS A 84 -0.767 19.203 -6.684 1.00 1.00 N +ATOM 1287 H HIS A 84 0.091 15.940 -11.255 1.00 1.00 H +ATOM 1288 HA HIS A 84 -1.607 18.092 -10.766 1.00 1.00 H +ATOM 1289 HB2 HIS A 84 0.895 17.098 -9.833 1.00 1.00 H +ATOM 1290 HB3 HIS A 84 1.120 18.791 -10.223 1.00 1.00 H +ATOM 1291 HD1 HIS A 84 -2.236 17.619 -8.967 1.00 1.00 H +ATOM 1292 HD2 HIS A 84 1.211 19.500 -7.489 1.00 1.00 H +ATOM 1293 HE1 HIS A 84 -2.843 18.504 -6.652 1.00 1.00 H +ATOM 1294 N HIS A 85 0.745 18.565 -13.028 1.00 1.00 N +ATOM 1295 CA HIS A 85 1.145 19.403 -14.145 1.00 1.00 C +ATOM 1296 C HIS A 85 0.137 19.255 -15.286 1.00 1.00 C +ATOM 1297 O HIS A 85 -0.302 20.248 -15.863 1.00 1.00 O +ATOM 1298 CB HIS A 85 2.579 19.084 -14.576 1.00 1.00 C +ATOM 1299 CG HIS A 85 2.956 19.656 -15.922 1.00 1.00 C +ATOM 1300 ND1 HIS A 85 2.912 21.011 -16.200 1.00 1.00 N +ATOM 1301 CD2 HIS A 85 3.386 19.043 -17.062 1.00 1.00 C +ATOM 1302 CE1 HIS A 85 3.299 21.194 -17.454 1.00 1.00 C +ATOM 1303 NE2 HIS A 85 3.591 19.973 -17.987 1.00 1.00 N +ATOM 1304 H HIS A 85 1.316 17.758 -12.879 1.00 1.00 H +ATOM 1305 HA HIS A 85 1.128 20.433 -13.786 1.00 1.00 H +ATOM 1306 HB2 HIS A 85 3.268 19.468 -13.823 1.00 1.00 H +ATOM 1307 HB3 HIS A 85 2.707 18.002 -14.604 1.00 1.00 H +ATOM 1308 HD1 HIS A 85 2.635 21.730 -15.563 1.00 1.00 H +ATOM 1309 HD2 HIS A 85 3.536 17.971 -17.191 1.00 1.00 H +ATOM 1310 HE1 HIS A 85 3.370 22.152 -17.970 1.00 1.00 H +ATOM 1311 N HIS A 86 -0.203 18.007 -15.575 1.00 1.00 N +ATOM 1312 CA HIS A 86 -1.152 17.718 -16.636 1.00 1.00 C +ATOM 1313 C HIS A 86 -2.535 18.239 -16.243 1.00 1.00 C +ATOM 1314 O HIS A 86 -3.487 18.127 -17.015 1.00 1.00 O +ATOM 1315 CB HIS A 86 -1.154 16.223 -16.967 1.00 1.00 C +ATOM 1316 CG HIS A 86 0.066 15.760 -17.726 1.00 1.00 C +ATOM 1317 ND1 HIS A 86 0.926 16.635 -18.368 1.00 1.00 N +ATOM 1318 CD2 HIS A 86 0.562 14.508 -17.941 1.00 1.00 C +ATOM 1319 CE1 HIS A 86 1.891 15.930 -18.940 1.00 1.00 C +ATOM 1320 NE2 HIS A 86 1.663 14.611 -18.673 1.00 1.00 N +ATOM 1321 H HIS A 86 0.159 17.206 -15.099 1.00 1.00 H +ATOM 1322 HA HIS A 86 -0.807 18.252 -17.519 1.00 1.00 H +ATOM 1323 HB2 HIS A 86 -1.230 15.656 -16.039 1.00 1.00 H +ATOM 1324 HB3 HIS A 86 -2.044 15.993 -17.555 1.00 1.00 H +ATOM 1325 HD1 HIS A 86 0.834 17.631 -18.396 1.00 1.00 H +ATOM 1326 HD2 HIS A 86 0.125 13.579 -17.572 1.00 1.00 H +ATOM 1327 HE1 HIS A 86 2.721 16.332 -19.519 1.00 1.00 H +ATOM 1328 N SER A 87 -2.604 18.799 -15.044 1.00 1.00 N +ATOM 1329 CA SER A 87 -3.855 19.339 -14.540 1.00 1.00 C +ATOM 1330 C SER A 87 -4.174 20.662 -15.241 1.00 1.00 C +ATOM 1331 O SER A 87 -5.330 20.938 -15.557 1.00 1.00 O +ATOM 1332 CB SER A 87 -3.796 19.542 -13.025 1.00 1.00 C +ATOM 1333 OG SER A 87 -3.581 20.907 -12.677 1.00 1.00 O +ATOM 1334 H SER A 87 -1.824 18.886 -14.423 1.00 1.00 H +ATOM 1335 HA SER A 87 -4.609 18.590 -14.777 1.00 1.00 H +ATOM 1336 HB2 SER A 87 -4.728 19.197 -12.577 1.00 1.00 H +ATOM 1337 HB3 SER A 87 -2.996 18.930 -12.607 1.00 1.00 H +ATOM 1338 HG SER A 87 -4.430 21.313 -12.341 1.00 1.00 H +ATOM 1339 N THR A 88 -3.127 21.444 -15.464 1.00 1.00 N +ATOM 1340 CA THR A 88 -3.282 22.730 -16.121 1.00 1.00 C +ATOM 1341 C THR A 88 -2.556 22.731 -17.468 1.00 1.00 C +ATOM 1342 O THR A 88 -2.972 23.416 -18.401 1.00 1.00 O +ATOM 1343 CB THR A 88 -2.784 23.814 -15.163 1.00 1.00 C +ATOM 1344 OG1 THR A 88 -1.481 23.375 -14.790 1.00 1.00 O +ATOM 1345 CG2 THR A 88 -3.562 23.832 -13.846 1.00 1.00 C +ATOM 1346 H THR A 88 -2.190 21.212 -15.204 1.00 1.00 H +ATOM 1347 HA THR A 88 -4.340 22.886 -16.329 1.00 1.00 H +ATOM 1348 HB THR A 88 -2.802 24.793 -15.640 1.00 1.00 H +ATOM 1349 HG1 THR A 88 -1.008 24.098 -14.285 1.00 1.00 H +ATOM 1350 HG21 THR A 88 -4.031 22.861 -13.687 1.00 1.00 H +ATOM 1351 HG22 THR A 88 -2.880 24.046 -13.023 1.00 1.00 H +ATOM 1352 HG23 THR A 88 -4.332 24.603 -13.889 1.00 1.00 H +ATOM 1353 N VAL A 89 -1.484 21.956 -17.528 1.00 1.00 N +ATOM 1354 CA VAL A 89 -0.696 21.858 -18.744 1.00 1.00 C +ATOM 1355 C VAL A 89 -0.487 20.383 -19.095 1.00 1.00 C +ATOM 1356 O VAL A 89 0.531 19.794 -18.731 1.00 1.00 O +ATOM 1357 CB VAL A 89 0.617 22.627 -18.581 1.00 1.00 C +ATOM 1358 CG1 VAL A 89 1.448 22.570 -19.864 1.00 1.00 C +ATOM 1359 CG2 VAL A 89 0.356 24.074 -18.161 1.00 1.00 C +ATOM 1360 H VAL A 89 -1.152 21.401 -16.764 1.00 1.00 H +ATOM 1361 HA VAL A 89 -1.267 22.331 -19.543 1.00 1.00 H +ATOM 1362 HB VAL A 89 1.190 22.145 -17.789 1.00 1.00 H +ATOM 1363 HG11 VAL A 89 1.316 21.598 -20.340 1.00 1.00 H +ATOM 1364 HG12 VAL A 89 1.119 23.355 -20.546 1.00 1.00 H +ATOM 1365 HG13 VAL A 89 2.500 22.717 -19.622 1.00 1.00 H +ATOM 1366 HG21 VAL A 89 -0.250 24.569 -18.919 1.00 1.00 H +ATOM 1367 HG22 VAL A 89 -0.174 24.086 -17.207 1.00 1.00 H +ATOM 1368 HG23 VAL A 89 1.306 24.599 -18.055 1.00 1.00 H +ATOM 1369 N ALA A 90 -1.465 19.829 -19.795 1.00 1.00 N +ATOM 1370 CA ALA A 90 -1.400 18.435 -20.197 1.00 1.00 C +ATOM 1371 C ALA A 90 -0.366 18.278 -21.314 1.00 1.00 C +ATOM 1372 O ALA A 90 -0.724 18.048 -22.469 1.00 1.00 O +ATOM 1373 CB ALA A 90 -2.792 17.961 -20.621 1.00 1.00 C +ATOM 1374 H ALA A 90 -2.289 20.314 -20.085 1.00 1.00 H +ATOM 1375 HA ALA A 90 -1.079 17.854 -19.333 1.00 1.00 H +ATOM 1376 HB1 ALA A 90 -3.158 18.587 -21.433 1.00 1.00 H +ATOM 1377 HB2 ALA A 90 -2.736 16.925 -20.957 1.00 1.00 H +ATOM 1378 HB3 ALA A 90 -3.473 18.030 -19.773 1.00 1.00 H +ATOM 1379 N ASP A 91 0.896 18.409 -20.933 1.00 1.00 N +ATOM 1380 CA ASP A 91 1.984 18.285 -21.887 1.00 1.00 C +ATOM 1381 C ASP A 91 2.235 16.805 -22.178 1.00 1.00 C +ATOM 1382 O ASP A 91 3.381 16.361 -22.217 1.00 1.00 O +ATOM 1383 CB ASP A 91 3.277 18.881 -21.327 1.00 1.00 C +ATOM 1384 CG ASP A 91 3.609 20.289 -21.828 1.00 1.00 C +ATOM 1385 OD1 ASP A 91 3.156 20.614 -22.947 1.00 1.00 O +ATOM 1386 OD2 ASP A 91 4.309 21.007 -21.082 1.00 1.00 O +ATOM 1387 H ASP A 91 1.179 18.595 -19.991 1.00 1.00 H +ATOM 1388 HA ASP A 91 1.655 18.834 -22.768 1.00 1.00 H +ATOM 1389 HB2 ASP A 91 3.208 18.907 -20.240 1.00 1.00 H +ATOM 1390 HB3 ASP A 91 4.105 18.218 -21.580 1.00 1.00 H +ATOM 1391 N GLY A 92 1.142 16.080 -22.376 1.00 1.00 N +ATOM 1392 CA GLY A 92 1.229 14.658 -22.663 1.00 1.00 C +ATOM 1393 C GLY A 92 -0.161 14.060 -22.895 1.00 1.00 C +ATOM 1394 O GLY A 92 -0.467 13.602 -23.996 1.00 1.00 O +ATOM 1395 H GLY A 92 0.213 16.448 -22.343 1.00 1.00 H +ATOM 1396 HA2 GLY A 92 1.849 14.500 -23.545 1.00 1.00 H +ATOM 1397 HA3 GLY A 92 1.716 14.146 -21.834 1.00 1.00 H +ATOM 1398 N LEU A 93 -0.963 14.083 -21.841 1.00 1.00 N +ATOM 1399 CA LEU A 93 -2.312 13.549 -21.917 1.00 1.00 C +ATOM 1400 C LEU A 93 -3.175 14.476 -22.776 1.00 1.00 C +ATOM 1401 O LEU A 93 -3.077 15.697 -22.670 1.00 1.00 O +ATOM 1402 CB LEU A 93 -2.873 13.312 -20.514 1.00 1.00 C +ATOM 1403 CG LEU A 93 -1.846 13.254 -19.381 1.00 1.00 C +ATOM 1404 CD1 LEU A 93 -2.522 13.414 -18.018 1.00 1.00 C +ATOM 1405 CD2 LEU A 93 -1.015 11.970 -19.462 1.00 1.00 C +ATOM 1406 H LEU A 93 -0.705 14.458 -20.951 1.00 1.00 H +ATOM 1407 HA LEU A 93 -2.252 12.578 -22.408 1.00 1.00 H +ATOM 1408 HB2 LEU A 93 -3.585 14.107 -20.289 1.00 1.00 H +ATOM 1409 HB3 LEU A 93 -3.431 12.377 -20.520 1.00 1.00 H +ATOM 1410 HG LEU A 93 -1.157 14.089 -19.500 1.00 1.00 H +ATOM 1411 HD11 LEU A 93 -3.070 14.355 -17.993 1.00 1.00 H +ATOM 1412 HD12 LEU A 93 -3.214 12.586 -17.856 1.00 1.00 H +ATOM 1413 HD13 LEU A 93 -1.765 13.413 -17.235 1.00 1.00 H +ATOM 1414 HD21 LEU A 93 -1.679 11.106 -19.451 1.00 1.00 H +ATOM 1415 HD22 LEU A 93 -0.434 11.972 -20.384 1.00 1.00 H +ATOM 1416 HD23 LEU A 93 -0.340 11.920 -18.606 1.00 1.00 H +ATOM 1417 N ILE A 94 -4.001 13.858 -23.609 1.00 1.00 N +ATOM 1418 CA ILE A 94 -4.881 14.611 -24.485 1.00 1.00 C +ATOM 1419 C ILE A 94 -5.547 15.735 -23.689 1.00 1.00 C +ATOM 1420 O ILE A 94 -5.095 16.878 -23.724 1.00 1.00 O +ATOM 1421 CB ILE A 94 -5.874 13.677 -25.179 1.00 1.00 C +ATOM 1422 CG1 ILE A 94 -7.040 14.464 -25.780 1.00 1.00 C +ATOM 1423 CG2 ILE A 94 -6.354 12.581 -24.225 1.00 1.00 C +ATOM 1424 CD1 ILE A 94 -7.933 13.559 -26.633 1.00 1.00 C +ATOM 1425 H ILE A 94 -4.074 12.863 -23.689 1.00 1.00 H +ATOM 1426 HA ILE A 94 -4.263 15.059 -25.263 1.00 1.00 H +ATOM 1427 HB ILE A 94 -5.361 13.183 -26.004 1.00 1.00 H +ATOM 1428 HG12 ILE A 94 -7.629 14.915 -24.981 1.00 1.00 H +ATOM 1429 HG13 ILE A 94 -6.656 15.281 -26.391 1.00 1.00 H +ATOM 1430 HG21 ILE A 94 -5.998 12.795 -23.217 1.00 1.00 H +ATOM 1431 HG22 ILE A 94 -7.444 12.550 -24.226 1.00 1.00 H +ATOM 1432 HG23 ILE A 94 -5.963 11.618 -24.552 1.00 1.00 H +ATOM 1433 HD11 ILE A 94 -8.163 12.650 -26.077 1.00 1.00 H +ATOM 1434 HD12 ILE A 94 -8.857 14.082 -26.872 1.00 1.00 H +ATOM 1435 HD13 ILE A 94 -7.411 13.300 -27.554 1.00 1.00 H +ATOM 1436 N THR A 95 -6.613 15.371 -22.991 1.00 1.00 N +ATOM 1437 CA THR A 95 -7.346 16.335 -22.187 1.00 1.00 C +ATOM 1438 C THR A 95 -6.608 16.607 -20.875 1.00 1.00 C +ATOM 1439 O THR A 95 -5.590 15.976 -20.589 1.00 1.00 O +ATOM 1440 CB THR A 95 -8.766 15.800 -21.987 1.00 1.00 C +ATOM 1441 OG1 THR A 95 -9.591 16.749 -22.657 1.00 1.00 O +ATOM 1442 CG2 THR A 95 -9.218 15.876 -20.527 1.00 1.00 C +ATOM 1443 H THR A 95 -6.975 14.440 -22.968 1.00 1.00 H +ATOM 1444 HA THR A 95 -7.386 17.277 -22.733 1.00 1.00 H +ATOM 1445 HB THR A 95 -8.857 14.785 -22.371 1.00 1.00 H +ATOM 1446 HG1 THR A 95 -10.554 16.560 -22.464 1.00 1.00 H +ATOM 1447 HG21 THR A 95 -8.417 15.520 -19.879 1.00 1.00 H +ATOM 1448 HG22 THR A 95 -9.459 16.908 -20.274 1.00 1.00 H +ATOM 1449 HG23 THR A 95 -10.102 15.252 -20.388 1.00 1.00 H +ATOM 1450 N THR A 96 -7.149 17.546 -20.113 1.00 1.00 N +ATOM 1451 CA THR A 96 -6.555 17.908 -18.837 1.00 1.00 C +ATOM 1452 C THR A 96 -7.405 17.376 -17.683 1.00 1.00 C +ATOM 1453 O THR A 96 -8.620 17.563 -17.664 1.00 1.00 O +ATOM 1454 CB THR A 96 -6.379 19.428 -18.814 1.00 1.00 C +ATOM 1455 OG1 THR A 96 -7.649 19.918 -18.394 1.00 1.00 O +ATOM 1456 CG2 THR A 96 -6.194 20.018 -20.213 1.00 1.00 C +ATOM 1457 H THR A 96 -7.976 18.053 -20.353 1.00 1.00 H +ATOM 1458 HA THR A 96 -5.579 17.427 -18.764 1.00 1.00 H +ATOM 1459 HB THR A 96 -5.556 19.714 -18.159 1.00 1.00 H +ATOM 1460 HG1 THR A 96 -8.332 19.748 -19.104 1.00 1.00 H +ATOM 1461 HG21 THR A 96 -5.464 19.425 -20.764 1.00 1.00 H +ATOM 1462 HG22 THR A 96 -7.148 20.004 -20.742 1.00 1.00 H +ATOM 1463 HG23 THR A 96 -5.842 21.046 -20.131 1.00 1.00 H +ATOM 1464 N LEU A 97 -6.732 16.725 -16.745 1.00 1.00 N +ATOM 1465 CA LEU A 97 -7.409 16.166 -15.589 1.00 1.00 C +ATOM 1466 C LEU A 97 -8.477 17.149 -15.103 1.00 1.00 C +ATOM 1467 O LEU A 97 -8.290 18.361 -15.180 1.00 1.00 O +ATOM 1468 CB LEU A 97 -6.396 15.776 -14.510 1.00 1.00 C +ATOM 1469 CG LEU A 97 -5.453 14.623 -14.860 1.00 1.00 C +ATOM 1470 CD1 LEU A 97 -4.014 15.118 -15.007 1.00 1.00 C +ATOM 1471 CD2 LEU A 97 -5.570 13.491 -13.837 1.00 1.00 C +ATOM 1472 H LEU A 97 -5.742 16.579 -16.767 1.00 1.00 H +ATOM 1473 HA LEU A 97 -7.904 15.250 -15.912 1.00 1.00 H +ATOM 1474 HB2 LEU A 97 -5.793 16.653 -14.272 1.00 1.00 H +ATOM 1475 HB3 LEU A 97 -6.944 15.512 -13.606 1.00 1.00 H +ATOM 1476 HG LEU A 97 -5.755 14.217 -15.825 1.00 1.00 H +ATOM 1477 HD11 LEU A 97 -4.016 16.116 -15.445 1.00 1.00 H +ATOM 1478 HD12 LEU A 97 -3.539 15.152 -14.026 1.00 1.00 H +ATOM 1479 HD13 LEU A 97 -3.461 14.438 -15.654 1.00 1.00 H +ATOM 1480 HD21 LEU A 97 -6.620 13.237 -13.694 1.00 1.00 H +ATOM 1481 HD22 LEU A 97 -5.030 12.616 -14.200 1.00 1.00 H +ATOM 1482 HD23 LEU A 97 -5.141 13.814 -12.887 1.00 1.00 H +ATOM 1483 N HIS A 98 -9.573 16.588 -14.615 1.00 1.00 N +ATOM 1484 CA HIS A 98 -10.671 17.400 -14.118 1.00 1.00 C +ATOM 1485 C HIS A 98 -11.194 16.808 -12.807 1.00 1.00 C +ATOM 1486 O HIS A 98 -10.879 17.306 -11.728 1.00 1.00 O +ATOM 1487 CB HIS A 98 -11.763 17.547 -15.179 1.00 1.00 C +ATOM 1488 CG HIS A 98 -12.718 18.689 -14.926 1.00 1.00 C +ATOM 1489 ND1 HIS A 98 -12.291 19.981 -14.679 1.00 1.00 N +ATOM 1490 CD2 HIS A 98 -14.080 18.719 -14.884 1.00 1.00 C +ATOM 1491 CE1 HIS A 98 -13.356 20.747 -14.497 1.00 1.00 C +ATOM 1492 NE2 HIS A 98 -14.464 19.962 -14.624 1.00 1.00 N +ATOM 1493 H HIS A 98 -9.718 15.600 -14.556 1.00 1.00 H +ATOM 1494 HA HIS A 98 -10.264 18.391 -13.921 1.00 1.00 H +ATOM 1495 HB2 HIS A 98 -11.293 17.689 -16.153 1.00 1.00 H +ATOM 1496 HB3 HIS A 98 -12.331 16.618 -15.233 1.00 1.00 H +ATOM 1497 HD1 HIS A 98 -11.338 20.287 -14.642 1.00 1.00 H +ATOM 1498 HD2 HIS A 98 -14.742 17.867 -15.038 1.00 1.00 H +ATOM 1499 HE1 HIS A 98 -13.348 21.816 -14.283 1.00 1.00 H +ATOM 1500 N TYR A 99 -11.984 15.754 -12.945 1.00 1.00 N +ATOM 1501 CA TYR A 99 -12.554 15.090 -11.786 1.00 1.00 C +ATOM 1502 C TYR A 99 -11.973 13.684 -11.618 1.00 1.00 C +ATOM 1503 O TYR A 99 -12.352 12.762 -12.339 1.00 1.00 O +ATOM 1504 CB TYR A 99 -14.056 14.979 -12.058 1.00 1.00 C +ATOM 1505 CG TYR A 99 -14.805 16.312 -11.970 1.00 1.00 C +ATOM 1506 CD1 TYR A 99 -14.108 17.479 -11.734 1.00 1.00 C +ATOM 1507 CD2 TYR A 99 -16.175 16.343 -12.124 1.00 1.00 C +ATOM 1508 CE1 TYR A 99 -14.814 18.732 -11.651 1.00 1.00 C +ATOM 1509 CE2 TYR A 99 -16.880 17.596 -12.042 1.00 1.00 C +ATOM 1510 CZ TYR A 99 -16.164 18.729 -11.808 1.00 1.00 C +ATOM 1511 OH TYR A 99 -16.830 19.913 -11.730 1.00 1.00 O +ATOM 1512 H TYR A 99 -12.237 15.355 -13.827 1.00 1.00 H +ATOM 1513 HA TYR A 99 -12.311 15.683 -10.904 1.00 1.00 H +ATOM 1514 HB2 TYR A 99 -14.205 14.556 -13.051 1.00 1.00 H +ATOM 1515 HB3 TYR A 99 -14.494 14.280 -11.345 1.00 1.00 H +ATOM 1516 HD1 TYR A 99 -13.026 17.453 -11.611 1.00 1.00 H +ATOM 1517 HD2 TYR A 99 -16.724 15.420 -12.311 1.00 1.00 H +ATOM 1518 HE1 TYR A 99 -14.275 19.663 -11.465 1.00 1.00 H +ATOM 1519 HE2 TYR A 99 -17.962 17.636 -12.163 1.00 1.00 H +ATOM 1520 HH TYR A 99 -17.814 19.755 -11.790 1.00 1.00 H +ATOM 1521 N PRO A 100 -11.040 13.561 -10.638 1.00 1.00 N +ATOM 1522 CA PRO A 100 -10.402 12.284 -10.367 1.00 1.00 C +ATOM 1523 C PRO A 100 -11.355 11.343 -9.625 1.00 1.00 C +ATOM 1524 O PRO A 100 -11.237 11.163 -8.414 1.00 1.00 O +ATOM 1525 CB PRO A 100 -9.159 12.626 -9.562 1.00 1.00 C +ATOM 1526 CG PRO A 100 -9.389 14.027 -9.015 1.00 1.00 C +ATOM 1527 CD PRO A 100 -10.566 14.631 -9.764 1.00 1.00 C +ATOM 1528 HA PRO A 100 -10.173 11.821 -11.224 1.00 1.00 H +ATOM 1529 HB2 PRO A 100 -9.009 11.911 -8.754 1.00 1.00 H +ATOM 1530 HB3 PRO A 100 -8.267 12.593 -10.187 1.00 1.00 H +ATOM 1531 HG2 PRO A 100 -9.596 13.989 -7.945 1.00 1.00 H +ATOM 1532 HG3 PRO A 100 -8.499 14.639 -9.147 1.00 1.00 H +ATOM 1533 HD2 PRO A 100 -11.349 14.956 -9.077 1.00 1.00 H +ATOM 1534 HD3 PRO A 100 -10.263 15.507 -10.339 1.00 1.00 H +ATOM 1535 N ALA A 101 -12.276 10.767 -10.384 1.00 1.00 N +ATOM 1536 CA ALA A 101 -13.247 9.849 -9.814 1.00 1.00 C +ATOM 1537 C ALA A 101 -12.539 8.901 -8.843 1.00 1.00 C +ATOM 1538 O ALA A 101 -11.674 8.126 -9.248 1.00 1.00 O +ATOM 1539 CB ALA A 101 -13.965 9.101 -10.938 1.00 1.00 C +ATOM 1540 H ALA A 101 -12.365 10.919 -11.368 1.00 1.00 H +ATOM 1541 HA ALA A 101 -13.978 10.439 -9.262 1.00 1.00 H +ATOM 1542 HB1 ALA A 101 -13.813 9.630 -11.882 1.00 1.00 H +ATOM 1543 HB2 ALA A 101 -13.562 8.092 -11.020 1.00 1.00 H +ATOM 1544 HB3 ALA A 101 -15.032 9.051 -10.719 1.00 1.00 H +ATOM 1545 N PRO A 102 -12.942 8.999 -7.548 1.00 1.00 N +ATOM 1546 CA PRO A 102 -12.356 8.160 -6.517 1.00 1.00 C +ATOM 1547 C PRO A 102 -12.883 6.727 -6.611 1.00 1.00 C +ATOM 1548 O PRO A 102 -13.446 6.334 -7.631 1.00 1.00 O +ATOM 1549 CB PRO A 102 -12.713 8.839 -5.206 1.00 1.00 C +ATOM 1550 CG PRO A 102 -13.872 9.771 -5.522 1.00 1.00 C +ATOM 1551 CD PRO A 102 -13.962 9.906 -7.033 1.00 1.00 C +ATOM 1552 HA PRO A 102 -11.366 8.095 -6.645 1.00 1.00 H +ATOM 1553 HB2 PRO A 102 -12.995 8.107 -4.451 1.00 1.00 H +ATOM 1554 HB3 PRO A 102 -11.864 9.395 -4.810 1.00 1.00 H +ATOM 1555 HG2 PRO A 102 -14.802 9.372 -5.118 1.00 1.00 H +ATOM 1556 HG3 PRO A 102 -13.715 10.746 -5.060 1.00 1.00 H +ATOM 1557 HD2 PRO A 102 -14.954 9.634 -7.396 1.00 1.00 H +ATOM 1558 HD3 PRO A 102 -13.778 10.932 -7.350 1.00 1.00 H +ATOM 1559 N LYS A 103 -12.683 5.984 -5.532 1.00 1.00 N +ATOM 1560 CA LYS A 103 -13.131 4.603 -5.480 1.00 1.00 C +ATOM 1561 C LYS A 103 -14.375 4.508 -4.594 1.00 1.00 C +ATOM 1562 O LYS A 103 -14.342 4.896 -3.426 1.00 1.00 O +ATOM 1563 CB LYS A 103 -11.991 3.686 -5.037 1.00 1.00 C +ATOM 1564 CG LYS A 103 -11.122 4.364 -3.975 1.00 1.00 C +ATOM 1565 CD LYS A 103 -10.434 3.327 -3.086 1.00 1.00 C +ATOM 1566 CE LYS A 103 -10.257 1.999 -3.827 1.00 1.00 C +ATOM 1567 NZ LYS A 103 -9.049 1.293 -3.346 1.00 1.00 N +ATOM 1568 H LYS A 103 -12.225 6.311 -4.706 1.00 1.00 H +ATOM 1569 HA LYS A 103 -13.407 4.310 -6.492 1.00 1.00 H +ATOM 1570 HB2 LYS A 103 -12.399 2.756 -4.639 1.00 1.00 H +ATOM 1571 HB3 LYS A 103 -11.377 3.420 -5.898 1.00 1.00 H +ATOM 1572 HG2 LYS A 103 -10.372 4.989 -4.459 1.00 1.00 H +ATOM 1573 HG3 LYS A 103 -11.739 5.020 -3.361 1.00 1.00 H +ATOM 1574 HD2 LYS A 103 -9.460 3.702 -2.769 1.00 1.00 H +ATOM 1575 HD3 LYS A 103 -11.022 3.167 -2.182 1.00 1.00 H +ATOM 1576 HE2 LYS A 103 -11.136 1.373 -3.677 1.00 1.00 H +ATOM 1577 HE3 LYS A 103 -10.176 2.183 -4.899 1.00 1.00 H +ATOM 1578 HZ1 LYS A 103 -8.449 1.942 -2.877 1.00 1.00 H +ATOM 1579 HZ2 LYS A 103 -9.316 0.568 -2.712 1.00 1.00 H +ATOM 1580 HZ3 LYS A 103 -8.563 0.894 -4.124 1.00 1.00 H +ATOM 1581 N ARG A 104 -15.445 3.992 -5.182 1.00 1.00 N +ATOM 1582 CA ARG A 104 -16.697 3.843 -4.461 1.00 1.00 C +ATOM 1583 C ARG A 104 -16.858 2.403 -3.970 1.00 1.00 C +ATOM 1584 O ARG A 104 -17.380 1.552 -4.688 1.00 1.00 O +ATOM 1585 CB ARG A 104 -17.890 4.207 -5.347 1.00 1.00 C +ATOM 1586 CG ARG A 104 -18.559 5.495 -4.862 1.00 1.00 C +ATOM 1587 CD ARG A 104 -20.072 5.445 -5.085 1.00 1.00 C +ATOM 1588 NE ARG A 104 -20.700 4.545 -4.092 1.00 1.00 N +ATOM 1589 CZ ARG A 104 -20.766 4.804 -2.780 1.00 1.00 C +ATOM 1590 NH1 ARG A 104 -20.241 5.938 -2.293 1.00 1.00 N +ATOM 1591 NH2 ARG A 104 -21.355 3.931 -1.952 1.00 1.00 N +ATOM 1592 H ARG A 104 -15.464 3.681 -6.132 1.00 1.00 H +ATOM 1593 HA ARG A 104 -16.622 4.537 -3.624 1.00 1.00 H +ATOM 1594 HB2 ARG A 104 -17.557 4.332 -6.378 1.00 1.00 H +ATOM 1595 HB3 ARG A 104 -18.614 3.394 -5.342 1.00 1.00 H +ATOM 1596 HG2 ARG A 104 -18.350 5.641 -3.803 1.00 1.00 H +ATOM 1597 HG3 ARG A 104 -18.138 6.350 -5.391 1.00 1.00 H +ATOM 1598 HD2 ARG A 104 -20.494 6.445 -5.000 1.00 1.00 H +ATOM 1599 HD3 ARG A 104 -20.287 5.092 -6.095 1.00 1.00 H +ATOM 1600 HE ARG A 104 -21.101 3.690 -4.421 1.00 1.00 H +ATOM 1601 HH11 ARG A 104 -19.801 6.591 -2.911 1.00 1.00 H +ATOM 1602 HH12 ARG A 104 -20.290 6.132 -1.313 1.00 1.00 H +ATOM 1603 HH21 ARG A 104 -21.746 3.085 -2.315 1.00 1.00 H +ATOM 1604 HH22 ARG A 104 -21.404 4.125 -0.972 1.00 1.00 H +ATOM 1605 N GLY A 105 -16.399 2.173 -2.748 1.00 1.00 N +ATOM 1606 CA GLY A 105 -16.485 0.851 -2.152 1.00 1.00 C +ATOM 1607 C GLY A 105 -17.876 0.603 -1.567 1.00 1.00 C +ATOM 1608 O GLY A 105 -18.391 1.424 -0.810 1.00 1.00 O +ATOM 1609 H GLY A 105 -15.975 2.871 -2.170 1.00 1.00 H +ATOM 1610 HA2 GLY A 105 -16.262 0.094 -2.904 1.00 1.00 H +ATOM 1611 HA3 GLY A 105 -15.734 0.753 -1.368 1.00 1.00 H +ATOM 1612 N ILE A 106 -18.446 -0.534 -1.941 1.00 1.00 N +ATOM 1613 CA ILE A 106 -19.768 -0.900 -1.462 1.00 1.00 C +ATOM 1614 C ILE A 106 -19.639 -2.013 -0.420 1.00 1.00 C +ATOM 1615 O ILE A 106 -20.084 -1.861 0.716 1.00 1.00 O +ATOM 1616 CB ILE A 106 -20.682 -1.260 -2.635 1.00 1.00 C +ATOM 1617 CG1 ILE A 106 -20.907 -0.051 -3.545 1.00 1.00 C +ATOM 1618 CG2 ILE A 106 -21.999 -1.859 -2.141 1.00 1.00 C +ATOM 1619 CD1 ILE A 106 -21.613 -0.461 -4.838 1.00 1.00 C +ATOM 1620 H ILE A 106 -18.021 -1.197 -2.555 1.00 1.00 H +ATOM 1621 HA ILE A 106 -20.196 -0.023 -0.978 1.00 1.00 H +ATOM 1622 HB ILE A 106 -20.185 -2.024 -3.233 1.00 1.00 H +ATOM 1623 HG12 ILE A 106 -21.504 0.696 -3.023 1.00 1.00 H +ATOM 1624 HG13 ILE A 106 -19.950 0.415 -3.781 1.00 1.00 H +ATOM 1625 HG21 ILE A 106 -22.021 -1.840 -1.051 1.00 1.00 H +ATOM 1626 HG22 ILE A 106 -22.833 -1.275 -2.531 1.00 1.00 H +ATOM 1627 HG23 ILE A 106 -22.084 -2.889 -2.488 1.00 1.00 H +ATOM 1628 HD11 ILE A 106 -22.563 -0.940 -4.598 1.00 1.00 H +ATOM 1629 HD12 ILE A 106 -21.797 0.423 -5.449 1.00 1.00 H +ATOM 1630 HD13 ILE A 106 -20.983 -1.161 -5.390 1.00 1.00 H +ATOM 1631 N HIS A 107 -19.026 -3.109 -0.845 1.00 1.00 N +ATOM 1632 CA HIS A 107 -18.832 -4.247 0.038 1.00 1.00 C +ATOM 1633 C HIS A 107 -20.141 -4.564 0.762 1.00 1.00 C +ATOM 1634 O HIS A 107 -20.130 -5.144 1.846 1.00 1.00 O +ATOM 1635 CB HIS A 107 -17.667 -3.998 0.997 1.00 1.00 C +ATOM 1636 CG HIS A 107 -17.561 -2.571 1.477 1.00 1.00 C +ATOM 1637 ND1 HIS A 107 -16.679 -1.658 0.926 1.00 1.00 N +ATOM 1638 CD2 HIS A 107 -18.237 -1.908 2.460 1.00 1.00 C +ATOM 1639 CE1 HIS A 107 -16.824 -0.502 1.556 1.00 1.00 C +ATOM 1640 NE2 HIS A 107 -17.789 -0.659 2.508 1.00 1.00 N +ATOM 1641 H HIS A 107 -18.666 -3.226 -1.771 1.00 1.00 H +ATOM 1642 HA HIS A 107 -18.564 -5.092 -0.597 1.00 1.00 H +ATOM 1643 HB2 HIS A 107 -17.775 -4.653 1.862 1.00 1.00 H +ATOM 1644 HB3 HIS A 107 -16.736 -4.274 0.503 1.00 1.00 H +ATOM 1645 HD1 HIS A 107 -16.040 -1.840 0.177 1.00 1.00 H +ATOM 1646 HD2 HIS A 107 -19.010 -2.333 3.099 1.00 1.00 H +ATOM 1647 HE1 HIS A 107 -16.270 0.415 1.351 1.00 1.00 H +ATOM 1648 N ARG A 108 -21.238 -4.171 0.133 1.00 1.00 N +ATOM 1649 CA ARG A 108 -22.553 -4.404 0.705 1.00 1.00 C +ATOM 1650 C ARG A 108 -22.526 -4.164 2.216 1.00 1.00 C +ATOM 1651 O ARG A 108 -22.692 -3.034 2.672 1.00 1.00 O +ATOM 1652 CB ARG A 108 -23.026 -5.833 0.430 1.00 1.00 C +ATOM 1653 CG ARG A 108 -23.876 -5.895 -0.840 1.00 1.00 C +ATOM 1654 CD ARG A 108 -23.053 -5.509 -2.069 1.00 1.00 C +ATOM 1655 NE ARG A 108 -23.759 -4.465 -2.845 1.00 1.00 N +ATOM 1656 CZ ARG A 108 -23.986 -4.533 -4.165 1.00 1.00 C +ATOM 1657 NH1 ARG A 108 -23.564 -5.596 -4.863 1.00 1.00 N +ATOM 1658 NH2 ARG A 108 -24.637 -3.539 -4.784 1.00 1.00 N +ATOM 1659 H ARG A 108 -21.239 -3.699 -0.748 1.00 1.00 H +ATOM 1660 HA ARG A 108 -23.207 -3.688 0.205 1.00 1.00 H +ATOM 1661 HB2 ARG A 108 -22.164 -6.492 0.328 1.00 1.00 H +ATOM 1662 HB3 ARG A 108 -23.606 -6.198 1.279 1.00 1.00 H +ATOM 1663 HG2 ARG A 108 -24.275 -6.902 -0.966 1.00 1.00 H +ATOM 1664 HG3 ARG A 108 -24.730 -5.224 -0.743 1.00 1.00 H +ATOM 1665 HD2 ARG A 108 -22.073 -5.144 -1.762 1.00 1.00 H +ATOM 1666 HD3 ARG A 108 -22.885 -6.386 -2.695 1.00 1.00 H +ATOM 1667 HE ARG A 108 -24.089 -3.658 -2.354 1.00 1.00 H +ATOM 1668 HH11 ARG A 108 -23.080 -6.337 -4.400 1.00 1.00 H +ATOM 1669 HH12 ARG A 108 -23.734 -5.647 -5.847 1.00 1.00 H +ATOM 1670 HH21 ARG A 108 -24.951 -2.746 -4.263 1.00 1.00 H +ATOM 1671 HH22 ARG A 108 -24.807 -3.590 -5.768 1.00 1.00 H +ATOM 1672 N ASP A 109 -22.314 -5.247 2.951 1.00 1.00 N +ATOM 1673 CA ASP A 109 -22.263 -5.168 4.401 1.00 1.00 C +ATOM 1674 C ASP A 109 -23.391 -4.261 4.898 1.00 1.00 C +ATOM 1675 O ASP A 109 -24.249 -3.911 4.059 1.00 1.00 O +ATOM 1676 CB ASP A 109 -20.935 -4.574 4.873 1.00 1.00 C +ATOM 1677 CG ASP A 109 -20.329 -5.246 6.107 1.00 1.00 C +ATOM 1678 OD1 ASP A 109 -20.336 -6.535 6.085 1.00 1.00 O +ATOM 1679 OD2 ASP A 109 -19.873 -4.570 7.043 1.00 1.00 O +ATOM 1680 OXT ASP A 109 -23.431 -3.904 6.075 1.00 1.00 O +ATOM 1681 H ASP A 109 -22.181 -6.162 2.571 1.00 1.00 H +ATOM 1682 HA ASP A 109 -22.371 -6.196 4.747 1.00 1.00 H +ATOM 1683 HB2 ASP A 109 -20.216 -4.634 4.055 1.00 1.00 H +ATOM 1684 HB3 ASP A 109 -21.085 -3.516 5.090 1.00 1.00 H +TER 1685 ASP A 109 +ENDMDL +MODEL 4 +ATOM 1 N GLY A 1 -9.223 0.782 9.655 1.00 1.00 N +ATOM 2 CA GLY A 1 -9.830 1.489 8.541 1.00 1.00 C +ATOM 3 C GLY A 1 -9.954 0.580 7.315 1.00 1.00 C +ATOM 4 O GLY A 1 -9.059 0.543 6.473 1.00 1.00 O +ATOM 5 H1 GLY A 1 -9.538 -0.182 9.656 1.00 1.00 H +ATOM 6 H2 GLY A 1 -8.214 0.808 9.563 1.00 1.00 H +ATOM 7 H3 GLY A 1 -9.494 1.226 10.526 1.00 1.00 H +ATOM 8 HA2 GLY A 1 -10.815 1.853 8.830 1.00 1.00 H +ATOM 9 HA3 GLY A 1 -9.228 2.363 8.290 1.00 1.00 H +ATOM 10 N SER A 2 -11.070 -0.131 7.257 1.00 1.00 N +ATOM 11 CA SER A 2 -11.323 -1.037 6.149 1.00 1.00 C +ATOM 12 C SER A 2 -12.109 -0.317 5.052 1.00 1.00 C +ATOM 13 O SER A 2 -13.085 0.376 5.337 1.00 1.00 O +ATOM 14 CB SER A 2 -12.082 -2.280 6.618 1.00 1.00 C +ATOM 15 OG SER A 2 -13.199 -1.947 7.436 1.00 1.00 O +ATOM 16 H SER A 2 -11.793 -0.095 7.946 1.00 1.00 H +ATOM 17 HA SER A 2 -10.337 -1.329 5.786 1.00 1.00 H +ATOM 18 HB2 SER A 2 -12.423 -2.844 5.751 1.00 1.00 H +ATOM 19 HB3 SER A 2 -11.405 -2.929 7.174 1.00 1.00 H +ATOM 20 HG SER A 2 -13.927 -1.552 6.875 1.00 1.00 H +ATOM 21 N GLY A 3 -11.654 -0.504 3.822 1.00 1.00 N +ATOM 22 CA GLY A 3 -12.305 0.119 2.681 1.00 1.00 C +ATOM 23 C GLY A 3 -11.365 0.168 1.476 1.00 1.00 C +ATOM 24 O GLY A 3 -11.464 -0.659 0.571 1.00 1.00 O +ATOM 25 H GLY A 3 -10.860 -1.070 3.600 1.00 1.00 H +ATOM 26 HA2 GLY A 3 -13.205 -0.439 2.422 1.00 1.00 H +ATOM 27 HA3 GLY A 3 -12.619 1.128 2.944 1.00 1.00 H +ATOM 28 N ASN A 4 -10.472 1.148 1.501 1.00 1.00 N +ATOM 29 CA ASN A 4 -9.515 1.316 0.422 1.00 1.00 C +ATOM 30 C ASN A 4 -8.125 1.567 1.012 1.00 1.00 C +ATOM 31 O ASN A 4 -8.000 1.923 2.183 1.00 1.00 O +ATOM 32 CB ASN A 4 -9.879 2.516 -0.456 1.00 1.00 C +ATOM 33 CG ASN A 4 -9.449 2.286 -1.904 1.00 1.00 C +ATOM 34 OD1 ASN A 4 -10.077 1.561 -2.659 1.00 1.00 O +ATOM 35 ND2 ASN A 4 -8.347 2.944 -2.253 1.00 1.00 N +ATOM 36 H ASN A 4 -10.397 1.815 2.242 1.00 1.00 H +ATOM 37 HA ASN A 4 -9.563 0.390 -0.152 1.00 1.00 H +ATOM 38 HB2 ASN A 4 -10.955 2.688 -0.414 1.00 1.00 H +ATOM 39 HB3 ASN A 4 -9.398 3.414 -0.067 1.00 1.00 H +ATOM 40 HD21 ASN A 4 -7.879 3.524 -1.586 1.00 1.00 H +ATOM 41 HD22 ASN A 4 -7.986 2.858 -3.182 1.00 1.00 H +ATOM 42 N SER A 5 -7.118 1.372 0.174 1.00 1.00 N +ATOM 43 CA SER A 5 -5.743 1.573 0.599 1.00 1.00 C +ATOM 44 C SER A 5 -5.004 2.448 -0.416 1.00 1.00 C +ATOM 45 O SER A 5 -5.477 2.640 -1.535 1.00 1.00 O +ATOM 46 CB SER A 5 -5.019 0.236 0.773 1.00 1.00 C +ATOM 47 OG SER A 5 -4.955 -0.500 -0.446 1.00 1.00 O +ATOM 48 H SER A 5 -7.228 1.083 -0.775 1.00 1.00 H +ATOM 49 HA SER A 5 -5.809 2.078 1.561 1.00 1.00 H +ATOM 50 HB2 SER A 5 -4.009 0.415 1.140 1.00 1.00 H +ATOM 51 HB3 SER A 5 -5.533 -0.358 1.528 1.00 1.00 H +ATOM 52 HG SER A 5 -5.342 -1.412 -0.316 1.00 1.00 H +ATOM 53 N LEU A 6 -3.857 2.954 0.010 1.00 1.00 N +ATOM 54 CA LEU A 6 -3.049 3.804 -0.847 1.00 1.00 C +ATOM 55 C LEU A 6 -3.955 4.804 -1.567 1.00 1.00 C +ATOM 56 O LEU A 6 -3.758 5.088 -2.747 1.00 1.00 O +ATOM 57 CB LEU A 6 -2.197 2.955 -1.793 1.00 1.00 C +ATOM 58 CG LEU A 6 -2.945 2.277 -2.942 1.00 1.00 C +ATOM 59 CD1 LEU A 6 -2.170 2.408 -4.255 1.00 1.00 C +ATOM 60 CD2 LEU A 6 -3.258 0.817 -2.606 1.00 1.00 C +ATOM 61 H LEU A 6 -3.480 2.793 0.922 1.00 1.00 H +ATOM 62 HA LEU A 6 -2.363 4.358 -0.205 1.00 1.00 H +ATOM 63 HB2 LEU A 6 -1.417 3.589 -2.218 1.00 1.00 H +ATOM 64 HB3 LEU A 6 -1.696 2.185 -1.207 1.00 1.00 H +ATOM 65 HG LEU A 6 -3.898 2.788 -3.078 1.00 1.00 H +ATOM 66 HD11 LEU A 6 -1.984 3.462 -4.462 1.00 1.00 H +ATOM 67 HD12 LEU A 6 -1.221 1.880 -4.170 1.00 1.00 H +ATOM 68 HD13 LEU A 6 -2.755 1.976 -5.067 1.00 1.00 H +ATOM 69 HD21 LEU A 6 -2.510 0.435 -1.914 1.00 1.00 H +ATOM 70 HD22 LEU A 6 -4.245 0.754 -2.146 1.00 1.00 H +ATOM 71 HD23 LEU A 6 -3.247 0.222 -3.520 1.00 1.00 H +ATOM 72 N GLU A 7 -4.929 5.312 -0.825 1.00 1.00 N +ATOM 73 CA GLU A 7 -5.866 6.275 -1.377 1.00 1.00 C +ATOM 74 C GLU A 7 -5.205 7.650 -1.499 1.00 1.00 C +ATOM 75 O GLU A 7 -5.558 8.578 -0.775 1.00 1.00 O +ATOM 76 CB GLU A 7 -7.137 6.351 -0.529 1.00 1.00 C +ATOM 77 CG GLU A 7 -8.373 6.007 -1.363 1.00 1.00 C +ATOM 78 CD GLU A 7 -9.393 7.149 -1.327 1.00 1.00 C +ATOM 79 OE1 GLU A 7 -9.898 7.496 -0.250 1.00 1.00 O +ATOM 80 OE2 GLU A 7 -9.654 7.680 -2.473 1.00 1.00 O +ATOM 81 H GLU A 7 -5.081 5.075 0.135 1.00 1.00 H +ATOM 82 HA GLU A 7 -6.119 5.897 -2.368 1.00 1.00 H +ATOM 83 HB2 GLU A 7 -7.059 5.663 0.312 1.00 1.00 H +ATOM 84 HB3 GLU A 7 -7.241 7.353 -0.114 1.00 1.00 H +ATOM 85 HG2 GLU A 7 -8.079 5.811 -2.393 1.00 1.00 H +ATOM 86 HG3 GLU A 7 -8.831 5.094 -0.982 1.00 1.00 H +ATOM 87 N LYS A 8 -4.258 7.735 -2.421 1.00 1.00 N +ATOM 88 CA LYS A 8 -3.544 8.980 -2.648 1.00 1.00 C +ATOM 89 C LYS A 8 -4.544 10.076 -3.020 1.00 1.00 C +ATOM 90 O LYS A 8 -5.380 10.462 -2.205 1.00 1.00 O +ATOM 91 CB LYS A 8 -2.436 8.782 -3.685 1.00 1.00 C +ATOM 92 CG LYS A 8 -1.359 9.860 -3.548 1.00 1.00 C +ATOM 93 CD LYS A 8 -0.907 10.360 -4.921 1.00 1.00 C +ATOM 94 CE LYS A 8 0.614 10.271 -5.064 1.00 1.00 C +ATOM 95 NZ LYS A 8 1.026 8.877 -5.345 1.00 1.00 N +ATOM 96 H LYS A 8 -3.977 6.975 -3.007 1.00 1.00 H +ATOM 97 HA LYS A 8 -3.062 9.257 -1.709 1.00 1.00 H +ATOM 98 HB2 LYS A 8 -1.987 7.797 -3.558 1.00 1.00 H +ATOM 99 HB3 LYS A 8 -2.861 8.813 -4.687 1.00 1.00 H +ATOM 100 HG2 LYS A 8 -1.746 10.695 -2.963 1.00 1.00 H +ATOM 101 HG3 LYS A 8 -0.503 9.460 -3.004 1.00 1.00 H +ATOM 102 HD2 LYS A 8 -1.385 9.770 -5.703 1.00 1.00 H +ATOM 103 HD3 LYS A 8 -1.229 11.392 -5.061 1.00 1.00 H +ATOM 104 HE2 LYS A 8 0.948 10.926 -5.869 1.00 1.00 H +ATOM 105 HE3 LYS A 8 1.093 10.621 -4.149 1.00 1.00 H +ATOM 106 HZ1 LYS A 8 0.392 8.239 -4.887 1.00 1.00 H +ATOM 107 HZ2 LYS A 8 1.020 8.671 -6.338 1.00 1.00 H +ATOM 108 HZ3 LYS A 8 1.964 8.728 -4.998 1.00 1.00 H +ATOM 109 N HIS A 9 -4.427 10.547 -4.253 1.00 1.00 N +ATOM 110 CA HIS A 9 -5.310 11.591 -4.743 1.00 1.00 C +ATOM 111 C HIS A 9 -6.729 11.037 -4.885 1.00 1.00 C +ATOM 112 O HIS A 9 -6.978 9.870 -4.584 1.00 1.00 O +ATOM 113 CB HIS A 9 -4.775 12.189 -6.045 1.00 1.00 C +ATOM 114 CG HIS A 9 -3.579 13.091 -5.860 1.00 1.00 C +ATOM 115 ND1 HIS A 9 -2.762 13.033 -4.744 1.00 1.00 N +ATOM 116 CD2 HIS A 9 -3.068 14.071 -6.659 1.00 1.00 C +ATOM 117 CE1 HIS A 9 -1.808 13.943 -4.876 1.00 1.00 C +ATOM 118 NE2 HIS A 9 -1.999 14.585 -6.064 1.00 1.00 N +ATOM 119 H HIS A 9 -3.744 10.228 -4.910 1.00 1.00 H +ATOM 120 HA HIS A 9 -5.311 12.380 -3.991 1.00 1.00 H +ATOM 121 HB2 HIS A 9 -4.505 11.378 -6.721 1.00 1.00 H +ATOM 122 HB3 HIS A 9 -5.572 12.754 -6.529 1.00 1.00 H +ATOM 123 HD1 HIS A 9 -2.873 12.411 -3.970 1.00 1.00 H +ATOM 124 HD2 HIS A 9 -3.471 14.380 -7.625 1.00 1.00 H +ATOM 125 HE1 HIS A 9 -1.010 14.143 -4.162 1.00 1.00 H +ATOM 126 N SER A 10 -7.625 11.900 -5.343 1.00 1.00 N +ATOM 127 CA SER A 10 -9.013 11.512 -5.530 1.00 1.00 C +ATOM 128 C SER A 10 -9.161 10.698 -6.816 1.00 1.00 C +ATOM 129 O SER A 10 -10.269 10.325 -7.194 1.00 1.00 O +ATOM 130 CB SER A 10 -9.927 12.738 -5.567 1.00 1.00 C +ATOM 131 OG SER A 10 -9.302 13.850 -6.202 1.00 1.00 O +ATOM 132 H SER A 10 -7.415 12.848 -5.586 1.00 1.00 H +ATOM 133 HA SER A 10 -9.261 10.901 -4.661 1.00 1.00 H +ATOM 134 HB2 SER A 10 -10.847 12.487 -6.096 1.00 1.00 H +ATOM 135 HB3 SER A 10 -10.209 13.012 -4.551 1.00 1.00 H +ATOM 136 HG SER A 10 -8.672 13.530 -6.910 1.00 1.00 H +ATOM 137 N TRP A 11 -8.027 10.448 -7.455 1.00 1.00 N +ATOM 138 CA TRP A 11 -8.017 9.687 -8.692 1.00 1.00 C +ATOM 139 C TRP A 11 -7.144 8.449 -8.478 1.00 1.00 C +ATOM 140 O TRP A 11 -6.957 7.650 -9.394 1.00 1.00 O +ATOM 141 CB TRP A 11 -7.549 10.551 -9.864 1.00 1.00 C +ATOM 142 CG TRP A 11 -6.345 11.440 -9.543 1.00 1.00 C +ATOM 143 CD1 TRP A 11 -6.302 12.776 -9.476 1.00 1.00 C +ATOM 144 CD2 TRP A 11 -5.005 10.994 -9.246 1.00 1.00 C +ATOM 145 NE1 TRP A 11 -5.035 13.225 -9.159 1.00 1.00 N +ATOM 146 CE2 TRP A 11 -4.222 12.107 -9.014 1.00 1.00 C +ATOM 147 CE3 TRP A 11 -4.472 9.695 -9.174 1.00 1.00 C +ATOM 148 CZ2 TRP A 11 -2.861 12.034 -8.695 1.00 1.00 C +ATOM 149 CZ3 TRP A 11 -3.111 9.639 -8.856 1.00 1.00 C +ATOM 150 CH2 TRP A 11 -2.308 10.749 -8.620 1.00 1.00 C +ATOM 151 H TRP A 11 -7.129 10.756 -7.141 1.00 1.00 H +ATOM 152 HA TRP A 11 -9.042 9.387 -8.907 1.00 1.00 H +ATOM 153 HB2 TRP A 11 -7.296 9.902 -10.703 1.00 1.00 H +ATOM 154 HB3 TRP A 11 -8.377 11.183 -10.189 1.00 1.00 H +ATOM 155 HD1 TRP A 11 -7.156 13.428 -9.651 1.00 1.00 H +ATOM 156 HE1 TRP A 11 -4.729 14.264 -9.042 1.00 1.00 H +ATOM 157 HE3 TRP A 11 -5.070 8.801 -9.354 1.00 1.00 H +ATOM 158 HZ2 TRP A 11 -2.263 12.927 -8.517 1.00 1.00 H +ATOM 159 HZ3 TRP A 11 -2.646 8.655 -8.787 1.00 1.00 H +ATOM 160 HH2 TRP A 11 -1.253 10.620 -8.376 1.00 1.00 H +ATOM 161 N TYR A 12 -6.631 8.328 -7.261 1.00 1.00 N +ATOM 162 CA TYR A 12 -5.783 7.201 -6.915 1.00 1.00 C +ATOM 163 C TYR A 12 -6.386 6.394 -5.764 1.00 1.00 C +ATOM 164 O TYR A 12 -6.521 6.899 -4.650 1.00 1.00 O +ATOM 165 CB TYR A 12 -4.451 7.801 -6.460 1.00 1.00 C +ATOM 166 CG TYR A 12 -3.264 6.843 -6.581 1.00 1.00 C +ATOM 167 CD1 TYR A 12 -3.450 5.486 -6.408 1.00 1.00 C +ATOM 168 CD2 TYR A 12 -2.006 7.335 -6.865 1.00 1.00 C +ATOM 169 CE1 TYR A 12 -2.332 4.586 -6.523 1.00 1.00 C +ATOM 170 CE2 TYR A 12 -0.888 6.435 -6.978 1.00 1.00 C +ATOM 171 CZ TYR A 12 -1.106 5.105 -6.803 1.00 1.00 C +ATOM 172 OH TYR A 12 -0.052 4.253 -6.910 1.00 1.00 O +ATOM 173 H TYR A 12 -6.788 8.983 -6.522 1.00 1.00 H +ATOM 174 HA TYR A 12 -5.699 6.560 -7.792 1.00 1.00 H +ATOM 175 HB2 TYR A 12 -4.245 8.694 -7.049 1.00 1.00 H +ATOM 176 HB3 TYR A 12 -4.543 8.118 -5.422 1.00 1.00 H +ATOM 177 HD1 TYR A 12 -4.443 5.098 -6.185 1.00 1.00 H +ATOM 178 HD2 TYR A 12 -1.859 8.407 -7.001 1.00 1.00 H +ATOM 179 HE1 TYR A 12 -2.466 3.512 -6.388 1.00 1.00 H +ATOM 180 HE2 TYR A 12 0.111 6.811 -7.202 1.00 1.00 H +ATOM 181 HH TYR A 12 -0.199 3.622 -7.673 1.00 1.00 H +ATOM 182 N HIS A 13 -6.732 5.153 -6.071 1.00 1.00 N +ATOM 183 CA HIS A 13 -7.318 4.271 -5.075 1.00 1.00 C +ATOM 184 C HIS A 13 -6.467 3.005 -4.948 1.00 1.00 C +ATOM 185 O HIS A 13 -5.932 2.717 -3.878 1.00 1.00 O +ATOM 186 CB HIS A 13 -8.780 3.972 -5.407 1.00 1.00 C +ATOM 187 CG HIS A 13 -9.007 3.520 -6.830 1.00 1.00 C +ATOM 188 ND1 HIS A 13 -9.663 2.342 -7.148 1.00 1.00 N +ATOM 189 CD2 HIS A 13 -8.661 4.099 -8.016 1.00 1.00 C +ATOM 190 CE1 HIS A 13 -9.702 2.228 -8.467 1.00 1.00 C +ATOM 191 NE2 HIS A 13 -9.080 3.316 -9.003 1.00 1.00 N +ATOM 192 H HIS A 13 -6.619 4.749 -6.980 1.00 1.00 H +ATOM 193 HA HIS A 13 -7.295 4.811 -4.128 1.00 1.00 H +ATOM 194 HB2 HIS A 13 -9.146 3.201 -4.729 1.00 1.00 H +ATOM 195 HB3 HIS A 13 -9.374 4.866 -5.223 1.00 1.00 H +ATOM 196 HD1 HIS A 13 -10.042 1.690 -6.492 1.00 1.00 H +ATOM 197 HD2 HIS A 13 -8.129 5.043 -8.131 1.00 1.00 H +ATOM 198 HE1 HIS A 13 -10.153 1.407 -9.026 1.00 1.00 H +ATOM 199 N GLY A 14 -6.370 2.282 -6.054 1.00 1.00 N +ATOM 200 CA GLY A 14 -5.595 1.054 -6.079 1.00 1.00 C +ATOM 201 C GLY A 14 -5.351 0.590 -7.517 1.00 1.00 C +ATOM 202 O GLY A 14 -6.092 0.958 -8.427 1.00 1.00 O +ATOM 203 H GLY A 14 -6.809 2.524 -6.921 1.00 1.00 H +ATOM 204 HA2 GLY A 14 -4.640 1.212 -5.578 1.00 1.00 H +ATOM 205 HA3 GLY A 14 -6.121 0.276 -5.527 1.00 1.00 H +ATOM 206 N PRO A 15 -4.281 -0.233 -7.682 1.00 1.00 N +ATOM 207 CA PRO A 15 -3.928 -0.751 -8.992 1.00 1.00 C +ATOM 208 C PRO A 15 -4.891 -1.862 -9.420 1.00 1.00 C +ATOM 209 O PRO A 15 -5.060 -2.848 -8.706 1.00 1.00 O +ATOM 210 CB PRO A 15 -2.493 -1.230 -8.854 1.00 1.00 C +ATOM 211 CG PRO A 15 -2.248 -1.390 -7.362 1.00 1.00 C +ATOM 212 CD PRO A 15 -3.379 -0.689 -6.627 1.00 1.00 C +ATOM 213 HA PRO A 15 -4.015 -0.033 -9.684 1.00 1.00 H +ATOM 214 HB2 PRO A 15 -2.343 -2.174 -9.377 1.00 1.00 H +ATOM 215 HB3 PRO A 15 -1.797 -0.512 -9.288 1.00 1.00 H +ATOM 216 HG2 PRO A 15 -2.214 -2.446 -7.092 1.00 1.00 H +ATOM 217 HG3 PRO A 15 -1.286 -0.959 -7.084 1.00 1.00 H +ATOM 218 HD2 PRO A 15 -3.886 -1.367 -5.940 1.00 1.00 H +ATOM 219 HD3 PRO A 15 -3.007 0.147 -6.033 1.00 1.00 H +ATOM 220 N VAL A 16 -5.495 -1.661 -10.582 1.00 1.00 N +ATOM 221 CA VAL A 16 -6.436 -2.633 -11.112 1.00 1.00 C +ATOM 222 C VAL A 16 -6.411 -2.580 -12.641 1.00 1.00 C +ATOM 223 O VAL A 16 -5.860 -1.646 -13.222 1.00 1.00 O +ATOM 224 CB VAL A 16 -7.829 -2.387 -10.528 1.00 1.00 C +ATOM 225 CG1 VAL A 16 -8.813 -3.465 -10.985 1.00 1.00 C +ATOM 226 CG2 VAL A 16 -7.776 -2.304 -9.001 1.00 1.00 C +ATOM 227 H VAL A 16 -5.352 -0.855 -11.155 1.00 1.00 H +ATOM 228 HA VAL A 16 -6.105 -3.622 -10.789 1.00 1.00 H +ATOM 229 HB VAL A 16 -8.183 -1.427 -10.903 1.00 1.00 H +ATOM 230 HG11 VAL A 16 -8.408 -4.450 -10.752 1.00 1.00 H +ATOM 231 HG12 VAL A 16 -9.763 -3.332 -10.467 1.00 1.00 H +ATOM 232 HG13 VAL A 16 -8.970 -3.381 -12.059 1.00 1.00 H +ATOM 233 HG21 VAL A 16 -7.249 -3.174 -8.607 1.00 1.00 H +ATOM 234 HG22 VAL A 16 -7.251 -1.396 -8.703 1.00 1.00 H +ATOM 235 HG23 VAL A 16 -8.790 -2.285 -8.603 1.00 1.00 H +ATOM 236 N SER A 17 -7.013 -3.592 -13.246 1.00 1.00 N +ATOM 237 CA SER A 17 -7.066 -3.672 -14.696 1.00 1.00 C +ATOM 238 C SER A 17 -8.082 -2.664 -15.238 1.00 1.00 C +ATOM 239 O SER A 17 -9.062 -2.344 -14.569 1.00 1.00 O +ATOM 240 CB SER A 17 -7.425 -5.085 -15.158 1.00 1.00 C +ATOM 241 OG SER A 17 -7.163 -5.278 -16.544 1.00 1.00 O +ATOM 242 H SER A 17 -7.458 -4.347 -12.765 1.00 1.00 H +ATOM 243 HA SER A 17 -6.062 -3.424 -15.036 1.00 1.00 H +ATOM 244 HB2 SER A 17 -6.855 -5.812 -14.577 1.00 1.00 H +ATOM 245 HB3 SER A 17 -8.479 -5.277 -14.957 1.00 1.00 H +ATOM 246 HG SER A 17 -7.141 -4.395 -17.014 1.00 1.00 H +ATOM 247 N ARG A 18 -7.809 -2.190 -16.445 1.00 1.00 N +ATOM 248 CA ARG A 18 -8.687 -1.224 -17.085 1.00 1.00 C +ATOM 249 C ARG A 18 -10.148 -1.645 -16.924 1.00 1.00 C +ATOM 250 O ARG A 18 -11.038 -0.800 -16.854 1.00 1.00 O +ATOM 251 CB ARG A 18 -8.363 -1.089 -18.574 1.00 1.00 C +ATOM 252 CG ARG A 18 -9.286 -1.970 -19.419 1.00 1.00 C +ATOM 253 CD ARG A 18 -8.750 -2.120 -20.843 1.00 1.00 C +ATOM 254 NE ARG A 18 -7.491 -2.901 -20.830 1.00 1.00 N +ATOM 255 CZ ARG A 18 -6.573 -2.862 -21.804 1.00 1.00 C +ATOM 256 NH1 ARG A 18 -6.766 -2.082 -22.876 1.00 1.00 N +ATOM 257 NH2 ARG A 18 -5.461 -3.605 -21.708 1.00 1.00 N +ATOM 258 H ARG A 18 -7.009 -2.455 -16.984 1.00 1.00 H +ATOM 259 HA ARG A 18 -8.489 -0.285 -16.569 1.00 1.00 H +ATOM 260 HB2 ARG A 18 -8.469 -0.048 -18.880 1.00 1.00 H +ATOM 261 HB3 ARG A 18 -7.325 -1.369 -18.753 1.00 1.00 H +ATOM 262 HG2 ARG A 18 -9.381 -2.953 -18.954 1.00 1.00 H +ATOM 263 HG3 ARG A 18 -10.285 -1.534 -19.446 1.00 1.00 H +ATOM 264 HD2 ARG A 18 -9.490 -2.620 -21.469 1.00 1.00 H +ATOM 265 HD3 ARG A 18 -8.573 -1.138 -21.280 1.00 1.00 H +ATOM 266 HE ARG A 18 -7.317 -3.495 -20.043 1.00 1.00 H +ATOM 267 HH11 ARG A 18 -7.596 -1.528 -22.949 1.00 1.00 H +ATOM 268 HH12 ARG A 18 -6.080 -2.053 -23.603 1.00 1.00 H +ATOM 269 HH21 ARG A 18 -5.318 -4.187 -20.907 1.00 1.00 H +ATOM 270 HH22 ARG A 18 -4.776 -3.575 -22.435 1.00 1.00 H +ATOM 271 N ASN A 19 -10.351 -2.955 -16.870 1.00 1.00 N +ATOM 272 CA ASN A 19 -11.690 -3.498 -16.718 1.00 1.00 C +ATOM 273 C ASN A 19 -12.440 -2.705 -15.647 1.00 1.00 C +ATOM 274 O ASN A 19 -13.493 -2.129 -15.920 1.00 1.00 O +ATOM 275 CB ASN A 19 -11.642 -4.962 -16.276 1.00 1.00 C +ATOM 276 CG ASN A 19 -12.113 -5.890 -17.398 1.00 1.00 C +ATOM 277 OD1 ASN A 19 -13.147 -6.533 -17.313 1.00 1.00 O +ATOM 278 ND2 ASN A 19 -11.300 -5.924 -18.449 1.00 1.00 N +ATOM 279 H ASN A 19 -9.621 -3.636 -16.929 1.00 1.00 H +ATOM 280 HA ASN A 19 -12.148 -3.409 -17.703 1.00 1.00 H +ATOM 281 HB2 ASN A 19 -10.624 -5.226 -15.985 1.00 1.00 H +ATOM 282 HB3 ASN A 19 -12.271 -5.101 -15.396 1.00 1.00 H +ATOM 283 HD21 ASN A 19 -10.468 -5.372 -18.454 1.00 1.00 H +ATOM 284 HD22 ASN A 19 -11.523 -6.503 -19.235 1.00 1.00 H +ATOM 285 N ALA A 20 -11.868 -2.699 -14.452 1.00 1.00 N +ATOM 286 CA ALA A 20 -12.470 -1.985 -13.339 1.00 1.00 C +ATOM 287 C ALA A 20 -12.446 -0.482 -13.629 1.00 1.00 C +ATOM 288 O ALA A 20 -13.396 0.230 -13.312 1.00 1.00 O +ATOM 289 CB ALA A 20 -11.734 -2.341 -12.046 1.00 1.00 C +ATOM 290 H ALA A 20 -11.011 -3.169 -14.240 1.00 1.00 H +ATOM 291 HA ALA A 20 -13.506 -2.313 -13.255 1.00 1.00 H +ATOM 292 HB1 ALA A 20 -11.523 -3.411 -12.031 1.00 1.00 H +ATOM 293 HB2 ALA A 20 -10.798 -1.786 -11.996 1.00 1.00 H +ATOM 294 HB3 ALA A 20 -12.356 -2.081 -11.190 1.00 1.00 H +ATOM 295 N ALA A 21 -11.348 -0.046 -14.227 1.00 1.00 N +ATOM 296 CA ALA A 21 -11.186 1.358 -14.564 1.00 1.00 C +ATOM 297 C ALA A 21 -12.476 1.877 -15.201 1.00 1.00 C +ATOM 298 O ALA A 21 -12.989 2.926 -14.808 1.00 1.00 O +ATOM 299 CB ALA A 21 -9.975 1.528 -15.482 1.00 1.00 C +ATOM 300 H ALA A 21 -10.578 -0.632 -14.482 1.00 1.00 H +ATOM 301 HA ALA A 21 -11.004 1.903 -13.638 1.00 1.00 H +ATOM 302 HB1 ALA A 21 -9.155 0.908 -15.120 1.00 1.00 H +ATOM 303 HB2 ALA A 21 -10.241 1.224 -16.495 1.00 1.00 H +ATOM 304 HB3 ALA A 21 -9.665 2.574 -15.486 1.00 1.00 H +ATOM 305 N GLU A 22 -12.968 1.120 -16.171 1.00 1.00 N +ATOM 306 CA GLU A 22 -14.188 1.491 -16.864 1.00 1.00 C +ATOM 307 C GLU A 22 -15.397 1.313 -15.944 1.00 1.00 C +ATOM 308 O GLU A 22 -16.385 2.036 -16.064 1.00 1.00 O +ATOM 309 CB GLU A 22 -14.356 0.680 -18.152 1.00 1.00 C +ATOM 310 CG GLU A 22 -13.054 -0.036 -18.521 1.00 1.00 C +ATOM 311 CD GLU A 22 -13.044 -0.426 -20.000 1.00 1.00 C +ATOM 312 OE1 GLU A 22 -13.940 -1.206 -20.389 1.00 1.00 O +ATOM 313 OE2 GLU A 22 -12.140 0.067 -20.709 1.00 1.00 O +ATOM 314 H GLU A 22 -12.544 0.270 -16.484 1.00 1.00 H +ATOM 315 HA GLU A 22 -14.068 2.544 -17.121 1.00 1.00 H +ATOM 316 HB2 GLU A 22 -15.154 -0.051 -18.023 1.00 1.00 H +ATOM 317 HB3 GLU A 22 -14.655 1.340 -18.966 1.00 1.00 H +ATOM 318 HG2 GLU A 22 -12.205 0.610 -18.305 1.00 1.00 H +ATOM 319 HG3 GLU A 22 -12.941 -0.929 -17.906 1.00 1.00 H +ATOM 320 N TYR A 23 -15.279 0.347 -15.044 1.00 1.00 N +ATOM 321 CA TYR A 23 -16.350 0.066 -14.104 1.00 1.00 C +ATOM 322 C TYR A 23 -16.440 1.156 -13.034 1.00 1.00 C +ATOM 323 O TYR A 23 -17.437 1.874 -12.959 1.00 1.00 O +ATOM 324 CB TYR A 23 -15.983 -1.260 -13.433 1.00 1.00 C +ATOM 325 CG TYR A 23 -17.060 -1.796 -12.488 1.00 1.00 C +ATOM 326 CD1 TYR A 23 -18.063 -2.610 -12.974 1.00 1.00 C +ATOM 327 CD2 TYR A 23 -17.028 -1.468 -11.148 1.00 1.00 C +ATOM 328 CE1 TYR A 23 -19.076 -3.116 -12.085 1.00 1.00 C +ATOM 329 CE2 TYR A 23 -18.042 -1.974 -10.258 1.00 1.00 C +ATOM 330 CZ TYR A 23 -19.016 -2.773 -10.771 1.00 1.00 C +ATOM 331 OH TYR A 23 -19.972 -3.251 -9.931 1.00 1.00 O +ATOM 332 H TYR A 23 -14.473 -0.236 -14.954 1.00 1.00 H +ATOM 333 HA TYR A 23 -17.286 0.033 -14.660 1.00 1.00 H +ATOM 334 HB2 TYR A 23 -15.788 -2.005 -14.205 1.00 1.00 H +ATOM 335 HB3 TYR A 23 -15.056 -1.129 -12.874 1.00 1.00 H +ATOM 336 HD1 TYR A 23 -18.088 -2.870 -14.033 1.00 1.00 H +ATOM 337 HD2 TYR A 23 -16.236 -0.827 -10.763 1.00 1.00 H +ATOM 338 HE1 TYR A 23 -19.873 -3.758 -12.457 1.00 1.00 H +ATOM 339 HE2 TYR A 23 -18.028 -1.722 -9.198 1.00 1.00 H +ATOM 340 HH TYR A 23 -19.606 -4.010 -9.392 1.00 1.00 H +ATOM 341 N LEU A 24 -15.388 1.246 -12.235 1.00 1.00 N +ATOM 342 CA LEU A 24 -15.337 2.237 -11.173 1.00 1.00 C +ATOM 343 C LEU A 24 -15.729 3.603 -11.738 1.00 1.00 C +ATOM 344 O LEU A 24 -16.203 4.471 -11.005 1.00 1.00 O +ATOM 345 CB LEU A 24 -13.967 2.221 -10.492 1.00 1.00 C +ATOM 346 CG LEU A 24 -12.776 2.612 -11.372 1.00 1.00 C +ATOM 347 CD1 LEU A 24 -12.455 4.100 -11.233 1.00 1.00 C +ATOM 348 CD2 LEU A 24 -11.562 1.732 -11.070 1.00 1.00 C +ATOM 349 H LEU A 24 -14.582 0.658 -12.304 1.00 1.00 H +ATOM 350 HA LEU A 24 -16.073 1.950 -10.423 1.00 1.00 H +ATOM 351 HB2 LEU A 24 -14.001 2.900 -9.640 1.00 1.00 H +ATOM 352 HB3 LEU A 24 -13.790 1.222 -10.097 1.00 1.00 H +ATOM 353 HG LEU A 24 -13.049 2.436 -12.414 1.00 1.00 H +ATOM 354 HD11 LEU A 24 -12.548 4.397 -10.188 1.00 1.00 H +ATOM 355 HD12 LEU A 24 -11.438 4.286 -11.574 1.00 1.00 H +ATOM 356 HD13 LEU A 24 -13.152 4.679 -11.838 1.00 1.00 H +ATOM 357 HD21 LEU A 24 -11.755 1.139 -10.176 1.00 1.00 H +ATOM 358 HD22 LEU A 24 -11.375 1.067 -11.914 1.00 1.00 H +ATOM 359 HD23 LEU A 24 -10.688 2.363 -10.905 1.00 1.00 H +ATOM 360 N LEU A 25 -15.515 3.755 -13.038 1.00 1.00 N +ATOM 361 CA LEU A 25 -15.840 5.002 -13.710 1.00 1.00 C +ATOM 362 C LEU A 25 -17.265 5.419 -13.340 1.00 1.00 C +ATOM 363 O LEU A 25 -18.208 4.652 -13.524 1.00 1.00 O +ATOM 364 CB LEU A 25 -15.608 4.875 -15.216 1.00 1.00 C +ATOM 365 CG LEU A 25 -15.666 6.178 -16.016 1.00 1.00 C +ATOM 366 CD1 LEU A 25 -14.949 7.307 -15.276 1.00 1.00 C +ATOM 367 CD2 LEU A 25 -15.116 5.978 -17.430 1.00 1.00 C +ATOM 368 H LEU A 25 -15.130 3.045 -13.628 1.00 1.00 H +ATOM 369 HA LEU A 25 -15.151 5.761 -13.340 1.00 1.00 H +ATOM 370 HB2 LEU A 25 -14.632 4.416 -15.377 1.00 1.00 H +ATOM 371 HB3 LEU A 25 -16.352 4.189 -15.623 1.00 1.00 H +ATOM 372 HG LEU A 25 -16.711 6.471 -16.117 1.00 1.00 H +ATOM 373 HD11 LEU A 25 -13.919 7.013 -15.071 1.00 1.00 H +ATOM 374 HD12 LEU A 25 -14.955 8.207 -15.891 1.00 1.00 H +ATOM 375 HD13 LEU A 25 -15.463 7.509 -14.336 1.00 1.00 H +ATOM 376 HD21 LEU A 25 -15.108 4.916 -17.671 1.00 1.00 H +ATOM 377 HD22 LEU A 25 -15.747 6.508 -18.143 1.00 1.00 H +ATOM 378 HD23 LEU A 25 -14.100 6.370 -17.482 1.00 1.00 H +ATOM 379 N SER A 26 -17.376 6.634 -12.824 1.00 1.00 N +ATOM 380 CA SER A 26 -18.671 7.162 -12.428 1.00 1.00 C +ATOM 381 C SER A 26 -19.771 6.572 -13.312 1.00 1.00 C +ATOM 382 O SER A 26 -20.327 5.521 -12.999 1.00 1.00 O +ATOM 383 CB SER A 26 -18.689 8.691 -12.506 1.00 1.00 C +ATOM 384 OG SER A 26 -18.083 9.290 -11.365 1.00 1.00 O +ATOM 385 H SER A 26 -16.606 7.252 -12.677 1.00 1.00 H +ATOM 386 HA SER A 26 -18.805 6.852 -11.391 1.00 1.00 H +ATOM 387 HB2 SER A 26 -18.167 9.014 -13.406 1.00 1.00 H +ATOM 388 HB3 SER A 26 -19.719 9.037 -12.593 1.00 1.00 H +ATOM 389 HG SER A 26 -17.341 9.898 -11.651 1.00 1.00 H +ATOM 390 N SER A 27 -20.053 7.276 -14.398 1.00 1.00 N +ATOM 391 CA SER A 27 -21.077 6.834 -15.331 1.00 1.00 C +ATOM 392 C SER A 27 -21.084 7.737 -16.566 1.00 1.00 C +ATOM 393 O SER A 27 -20.895 7.265 -17.686 1.00 1.00 O +ATOM 394 CB SER A 27 -22.456 6.828 -14.671 1.00 1.00 C +ATOM 395 OG SER A 27 -22.713 8.034 -13.957 1.00 1.00 O +ATOM 396 H SER A 27 -19.597 8.131 -14.646 1.00 1.00 H +ATOM 397 HA SER A 27 -20.800 5.816 -15.603 1.00 1.00 H +ATOM 398 HB2 SER A 27 -23.223 6.688 -15.434 1.00 1.00 H +ATOM 399 HB3 SER A 27 -22.528 5.980 -13.989 1.00 1.00 H +ATOM 400 HG SER A 27 -23.640 8.020 -13.583 1.00 1.00 H +ATOM 401 N GLY A 28 -21.304 9.021 -16.320 1.00 1.00 N +ATOM 402 CA GLY A 28 -21.338 9.995 -17.399 1.00 1.00 C +ATOM 403 C GLY A 28 -21.181 11.416 -16.859 1.00 1.00 C +ATOM 404 O GLY A 28 -22.164 12.057 -16.491 1.00 1.00 O +ATOM 405 H GLY A 28 -21.458 9.397 -15.407 1.00 1.00 H +ATOM 406 HA2 GLY A 28 -20.540 9.781 -18.112 1.00 1.00 H +ATOM 407 HA3 GLY A 28 -22.281 9.909 -17.941 1.00 1.00 H +ATOM 408 N ILE A 29 -19.935 11.870 -16.829 1.00 1.00 N +ATOM 409 CA ILE A 29 -19.636 13.205 -16.341 1.00 1.00 C +ATOM 410 C ILE A 29 -19.178 14.080 -17.509 1.00 1.00 C +ATOM 411 O ILE A 29 -19.014 13.594 -18.627 1.00 1.00 O +ATOM 412 CB ILE A 29 -18.630 13.141 -15.189 1.00 1.00 C +ATOM 413 CG1 ILE A 29 -18.307 11.690 -14.823 1.00 1.00 C +ATOM 414 CG2 ILE A 29 -19.128 13.938 -13.981 1.00 1.00 C +ATOM 415 CD1 ILE A 29 -17.604 11.611 -13.467 1.00 1.00 C +ATOM 416 H ILE A 29 -19.141 11.342 -17.131 1.00 1.00 H +ATOM 417 HA ILE A 29 -20.560 13.620 -15.938 1.00 1.00 H +ATOM 418 HB ILE A 29 -17.702 13.603 -15.520 1.00 1.00 H +ATOM 419 HG12 ILE A 29 -19.226 11.105 -14.796 1.00 1.00 H +ATOM 420 HG13 ILE A 29 -17.672 11.251 -15.593 1.00 1.00 H +ATOM 421 HG21 ILE A 29 -19.884 14.653 -14.305 1.00 1.00 H +ATOM 422 HG22 ILE A 29 -19.563 13.257 -13.250 1.00 1.00 H +ATOM 423 HG23 ILE A 29 -18.292 14.472 -13.529 1.00 1.00 H +ATOM 424 HD11 ILE A 29 -16.916 12.449 -13.364 1.00 1.00 H +ATOM 425 HD12 ILE A 29 -18.347 11.650 -12.670 1.00 1.00 H +ATOM 426 HD13 ILE A 29 -17.049 10.675 -13.400 1.00 1.00 H +ATOM 427 N ASN A 30 -18.985 15.357 -17.210 1.00 1.00 N +ATOM 428 CA ASN A 30 -18.549 16.304 -18.221 1.00 1.00 C +ATOM 429 C ASN A 30 -17.063 16.082 -18.514 1.00 1.00 C +ATOM 430 O ASN A 30 -16.474 16.797 -19.325 1.00 1.00 O +ATOM 431 CB ASN A 30 -18.725 17.745 -17.738 1.00 1.00 C +ATOM 432 CG ASN A 30 -19.382 18.609 -18.817 1.00 1.00 C +ATOM 433 OD1 ASN A 30 -19.396 18.275 -19.991 1.00 1.00 O +ATOM 434 ND2 ASN A 30 -19.921 19.733 -18.356 1.00 1.00 N +ATOM 435 H ASN A 30 -19.121 15.744 -16.298 1.00 1.00 H +ATOM 436 HA ASN A 30 -19.179 16.107 -19.088 1.00 1.00 H +ATOM 437 HB2 ASN A 30 -19.337 17.757 -16.836 1.00 1.00 H +ATOM 438 HB3 ASN A 30 -17.756 18.165 -17.472 1.00 1.00 H +ATOM 439 HD21 ASN A 30 -19.875 19.947 -17.380 1.00 1.00 H +ATOM 440 HD22 ASN A 30 -20.374 20.365 -18.986 1.00 1.00 H +ATOM 441 N GLY A 31 -16.501 15.090 -17.841 1.00 1.00 N +ATOM 442 CA GLY A 31 -15.096 14.765 -18.020 1.00 1.00 C +ATOM 443 C GLY A 31 -14.439 14.421 -16.682 1.00 1.00 C +ATOM 444 O GLY A 31 -14.360 15.264 -15.789 1.00 1.00 O +ATOM 445 H GLY A 31 -16.988 14.515 -17.184 1.00 1.00 H +ATOM 446 HA2 GLY A 31 -14.998 13.925 -18.705 1.00 1.00 H +ATOM 447 HA3 GLY A 31 -14.579 15.610 -18.476 1.00 1.00 H +ATOM 448 N SER A 32 -13.984 13.181 -16.584 1.00 1.00 N +ATOM 449 CA SER A 32 -13.334 12.715 -15.371 1.00 1.00 C +ATOM 450 C SER A 32 -12.212 11.735 -15.721 1.00 1.00 C +ATOM 451 O SER A 32 -12.352 10.926 -16.637 1.00 1.00 O +ATOM 452 CB SER A 32 -14.342 12.053 -14.428 1.00 1.00 C +ATOM 453 OG SER A 32 -14.840 10.826 -14.954 1.00 1.00 O +ATOM 454 H SER A 32 -14.052 12.501 -17.315 1.00 1.00 H +ATOM 455 HA SER A 32 -12.929 13.609 -14.899 1.00 1.00 H +ATOM 456 HB2 SER A 32 -13.867 11.867 -13.463 1.00 1.00 H +ATOM 457 HB3 SER A 32 -15.173 12.735 -14.249 1.00 1.00 H +ATOM 458 HG SER A 32 -14.318 10.058 -14.585 1.00 1.00 H +ATOM 459 N PHE A 33 -11.124 11.840 -14.971 1.00 1.00 N +ATOM 460 CA PHE A 33 -9.979 10.974 -15.190 1.00 1.00 C +ATOM 461 C PHE A 33 -9.676 10.138 -13.944 1.00 1.00 C +ATOM 462 O PHE A 33 -10.262 10.362 -12.886 1.00 1.00 O +ATOM 463 CB PHE A 33 -8.782 11.880 -15.485 1.00 1.00 C +ATOM 464 CG PHE A 33 -9.040 12.914 -16.584 1.00 1.00 C +ATOM 465 CD1 PHE A 33 -10.216 13.595 -16.612 1.00 1.00 C +ATOM 466 CD2 PHE A 33 -8.093 13.150 -17.530 1.00 1.00 C +ATOM 467 CE1 PHE A 33 -10.455 14.555 -17.631 1.00 1.00 C +ATOM 468 CE2 PHE A 33 -8.333 14.109 -18.549 1.00 1.00 C +ATOM 469 CZ PHE A 33 -9.508 14.792 -18.578 1.00 1.00 C +ATOM 470 H PHE A 33 -11.019 12.500 -14.228 1.00 1.00 H +ATOM 471 HA PHE A 33 -10.229 10.310 -16.017 1.00 1.00 H +ATOM 472 HB2 PHE A 33 -8.500 12.401 -14.570 1.00 1.00 H +ATOM 473 HB3 PHE A 33 -7.934 11.261 -15.775 1.00 1.00 H +ATOM 474 HD1 PHE A 33 -10.975 13.407 -15.852 1.00 1.00 H +ATOM 475 HD2 PHE A 33 -7.150 12.603 -17.507 1.00 1.00 H +ATOM 476 HE1 PHE A 33 -11.399 15.102 -17.655 1.00 1.00 H +ATOM 477 HE2 PHE A 33 -7.573 14.299 -19.308 1.00 1.00 H +ATOM 478 HZ PHE A 33 -9.692 15.528 -19.361 1.00 1.00 H +ATOM 479 N LEU A 34 -8.762 9.194 -14.111 1.00 1.00 N +ATOM 480 CA LEU A 34 -8.376 8.324 -13.014 1.00 1.00 C +ATOM 481 C LEU A 34 -6.942 7.838 -13.235 1.00 1.00 C +ATOM 482 O LEU A 34 -6.243 8.336 -14.115 1.00 1.00 O +ATOM 483 CB LEU A 34 -9.391 7.193 -12.842 1.00 1.00 C +ATOM 484 CG LEU A 34 -9.779 6.443 -14.118 1.00 1.00 C +ATOM 485 CD1 LEU A 34 -9.663 4.930 -13.921 1.00 1.00 C +ATOM 486 CD2 LEU A 34 -11.175 6.853 -14.593 1.00 1.00 C +ATOM 487 H LEU A 34 -8.291 9.018 -14.975 1.00 1.00 H +ATOM 488 HA LEU A 34 -8.401 8.920 -12.101 1.00 1.00 H +ATOM 489 HB2 LEU A 34 -8.987 6.473 -12.130 1.00 1.00 H +ATOM 490 HB3 LEU A 34 -10.296 7.607 -12.398 1.00 1.00 H +ATOM 491 HG LEU A 34 -9.076 6.718 -14.904 1.00 1.00 H +ATOM 492 HD11 LEU A 34 -10.078 4.657 -12.951 1.00 1.00 H +ATOM 493 HD12 LEU A 34 -10.217 4.417 -14.707 1.00 1.00 H +ATOM 494 HD13 LEU A 34 -8.615 4.636 -13.964 1.00 1.00 H +ATOM 495 HD21 LEU A 34 -11.368 7.886 -14.301 1.00 1.00 H +ATOM 496 HD22 LEU A 34 -11.229 6.766 -15.677 1.00 1.00 H +ATOM 497 HD23 LEU A 34 -11.920 6.202 -14.137 1.00 1.00 H +ATOM 498 N VAL A 35 -6.548 6.867 -12.423 1.00 1.00 N +ATOM 499 CA VAL A 35 -5.211 6.307 -12.519 1.00 1.00 C +ATOM 500 C VAL A 35 -5.287 4.787 -12.364 1.00 1.00 C +ATOM 501 O VAL A 35 -5.848 4.287 -11.390 1.00 1.00 O +ATOM 502 CB VAL A 35 -4.292 6.967 -11.491 1.00 1.00 C +ATOM 503 CG1 VAL A 35 -3.439 5.923 -10.767 1.00 1.00 C +ATOM 504 CG2 VAL A 35 -3.411 8.033 -12.147 1.00 1.00 C +ATOM 505 H VAL A 35 -7.124 6.466 -11.710 1.00 1.00 H +ATOM 506 HA VAL A 35 -4.828 6.539 -13.513 1.00 1.00 H +ATOM 507 HB VAL A 35 -4.918 7.461 -10.749 1.00 1.00 H +ATOM 508 HG11 VAL A 35 -4.088 5.164 -10.329 1.00 1.00 H +ATOM 509 HG12 VAL A 35 -2.759 5.453 -11.478 1.00 1.00 H +ATOM 510 HG13 VAL A 35 -2.864 6.408 -9.978 1.00 1.00 H +ATOM 511 HG21 VAL A 35 -3.425 7.900 -13.228 1.00 1.00 H +ATOM 512 HG22 VAL A 35 -3.794 9.024 -11.898 1.00 1.00 H +ATOM 513 HG23 VAL A 35 -2.390 7.937 -11.782 1.00 1.00 H +ATOM 514 N ARG A 36 -4.718 4.095 -13.339 1.00 1.00 N +ATOM 515 CA ARG A 36 -4.714 2.642 -13.324 1.00 1.00 C +ATOM 516 C ARG A 36 -3.282 2.114 -13.430 1.00 1.00 C +ATOM 517 O ARG A 36 -2.352 2.877 -13.684 1.00 1.00 O +ATOM 518 CB ARG A 36 -5.548 2.076 -14.475 1.00 1.00 C +ATOM 519 CG ARG A 36 -6.635 1.135 -13.954 1.00 1.00 C +ATOM 520 CD ARG A 36 -7.831 1.923 -13.417 1.00 1.00 C +ATOM 521 NE ARG A 36 -7.456 2.620 -12.167 1.00 1.00 N +ATOM 522 CZ ARG A 36 -7.173 1.997 -11.014 1.00 1.00 C +ATOM 523 NH1 ARG A 36 -7.220 0.661 -10.946 1.00 1.00 N +ATOM 524 NH2 ARG A 36 -6.843 2.712 -9.930 1.00 1.00 N +ATOM 525 H ARG A 36 -4.264 4.509 -14.129 1.00 1.00 H +ATOM 526 HA ARG A 36 -5.161 2.372 -12.365 1.00 1.00 H +ATOM 527 HB2 ARG A 36 -6.005 2.893 -15.033 1.00 1.00 H +ATOM 528 HB3 ARG A 36 -4.899 1.540 -15.168 1.00 1.00 H +ATOM 529 HG2 ARG A 36 -6.962 0.473 -14.755 1.00 1.00 H +ATOM 530 HG3 ARG A 36 -6.227 0.503 -13.165 1.00 1.00 H +ATOM 531 HD2 ARG A 36 -8.163 2.647 -14.161 1.00 1.00 H +ATOM 532 HD3 ARG A 36 -8.667 1.249 -13.230 1.00 1.00 H +ATOM 533 HE ARG A 36 -7.412 3.619 -12.181 1.00 1.00 H +ATOM 534 HH11 ARG A 36 -7.467 0.127 -11.757 1.00 1.00 H +ATOM 535 HH12 ARG A 36 -7.009 0.196 -10.087 1.00 1.00 H +ATOM 536 HH21 ARG A 36 -6.807 3.710 -9.980 1.00 1.00 H +ATOM 537 HH22 ARG A 36 -6.632 2.247 -9.070 1.00 1.00 H +ATOM 538 N GLU A 37 -3.150 0.810 -13.232 1.00 1.00 N +ATOM 539 CA GLU A 37 -1.847 0.170 -13.302 1.00 1.00 C +ATOM 540 C GLU A 37 -1.757 -0.713 -14.550 1.00 1.00 C +ATOM 541 O GLU A 37 -2.677 -1.477 -14.840 1.00 1.00 O +ATOM 542 CB GLU A 37 -1.563 -0.639 -12.036 1.00 1.00 C +ATOM 543 CG GLU A 37 -0.243 -0.208 -11.394 1.00 1.00 C +ATOM 544 CD GLU A 37 0.423 -1.380 -10.670 1.00 1.00 C +ATOM 545 OE1 GLU A 37 0.111 -1.557 -9.473 1.00 1.00 O +ATOM 546 OE2 GLU A 37 1.229 -2.071 -11.330 1.00 1.00 O +ATOM 547 H GLU A 37 -3.911 0.195 -13.026 1.00 1.00 H +ATOM 548 HA GLU A 37 -1.128 0.986 -13.375 1.00 1.00 H +ATOM 549 HB2 GLU A 37 -2.378 -0.504 -11.324 1.00 1.00 H +ATOM 550 HB3 GLU A 37 -1.524 -1.700 -12.279 1.00 1.00 H +ATOM 551 HG2 GLU A 37 0.427 0.179 -12.161 1.00 1.00 H +ATOM 552 HG3 GLU A 37 -0.425 0.604 -10.690 1.00 1.00 H +ATOM 553 N SER A 38 -0.641 -0.580 -15.250 1.00 1.00 N +ATOM 554 CA SER A 38 -0.420 -1.357 -16.458 1.00 1.00 C +ATOM 555 C SER A 38 -0.530 -2.851 -16.147 1.00 1.00 C +ATOM 556 O SER A 38 -0.864 -3.233 -15.026 1.00 1.00 O +ATOM 557 CB SER A 38 0.946 -1.043 -17.073 1.00 1.00 C +ATOM 558 OG SER A 38 1.699 -2.223 -17.333 1.00 1.00 O +ATOM 559 H SER A 38 0.102 0.043 -15.007 1.00 1.00 H +ATOM 560 HA SER A 38 -1.206 -1.050 -17.148 1.00 1.00 H +ATOM 561 HB2 SER A 38 0.807 -0.489 -18.002 1.00 1.00 H +ATOM 562 HB3 SER A 38 1.507 -0.396 -16.397 1.00 1.00 H +ATOM 563 HG SER A 38 2.044 -2.209 -18.271 1.00 1.00 H +ATOM 564 N GLU A 39 -0.244 -3.656 -17.160 1.00 1.00 N +ATOM 565 CA GLU A 39 -0.305 -5.100 -17.009 1.00 1.00 C +ATOM 566 C GLU A 39 0.979 -5.622 -16.361 1.00 1.00 C +ATOM 567 O GLU A 39 1.390 -5.135 -15.309 1.00 1.00 O +ATOM 568 CB GLU A 39 -0.559 -5.782 -18.354 1.00 1.00 C +ATOM 569 CG GLU A 39 -1.788 -5.190 -19.047 1.00 1.00 C +ATOM 570 CD GLU A 39 -1.986 -5.806 -20.433 1.00 1.00 C +ATOM 571 OE1 GLU A 39 -1.937 -7.052 -20.513 1.00 1.00 O +ATOM 572 OE2 GLU A 39 -2.183 -5.016 -21.382 1.00 1.00 O +ATOM 573 H GLU A 39 0.027 -3.338 -18.068 1.00 1.00 H +ATOM 574 HA GLU A 39 -1.154 -5.286 -16.349 1.00 1.00 H +ATOM 575 HB2 GLU A 39 0.315 -5.665 -18.995 1.00 1.00 H +ATOM 576 HB3 GLU A 39 -0.703 -6.852 -18.202 1.00 1.00 H +ATOM 577 HG2 GLU A 39 -2.675 -5.367 -18.436 1.00 1.00 H +ATOM 578 HG3 GLU A 39 -1.674 -4.110 -19.137 1.00 1.00 H +ATOM 579 N SER A 40 1.575 -6.606 -17.018 1.00 1.00 N +ATOM 580 CA SER A 40 2.804 -7.200 -16.520 1.00 1.00 C +ATOM 581 C SER A 40 3.955 -6.199 -16.638 1.00 1.00 C +ATOM 582 O SER A 40 4.733 -6.252 -17.588 1.00 1.00 O +ATOM 583 CB SER A 40 3.141 -8.487 -17.277 1.00 1.00 C +ATOM 584 OG SER A 40 2.083 -9.437 -17.212 1.00 1.00 O +ATOM 585 H SER A 40 1.234 -6.997 -17.872 1.00 1.00 H +ATOM 586 HA SER A 40 2.608 -7.436 -15.474 1.00 1.00 H +ATOM 587 HB2 SER A 40 3.351 -8.249 -18.320 1.00 1.00 H +ATOM 588 HB3 SER A 40 4.048 -8.925 -16.861 1.00 1.00 H +ATOM 589 HG SER A 40 1.944 -9.731 -16.265 1.00 1.00 H +ATOM 590 N SER A 41 4.026 -5.309 -15.658 1.00 1.00 N +ATOM 591 CA SER A 41 5.068 -4.297 -15.640 1.00 1.00 C +ATOM 592 C SER A 41 5.764 -4.287 -14.277 1.00 1.00 C +ATOM 593 O SER A 41 5.161 -4.639 -13.266 1.00 1.00 O +ATOM 594 CB SER A 41 4.496 -2.912 -15.954 1.00 1.00 C +ATOM 595 OG SER A 41 3.138 -2.790 -15.542 1.00 1.00 O +ATOM 596 H SER A 41 3.388 -5.275 -14.888 1.00 1.00 H +ATOM 597 HA SER A 41 5.766 -4.587 -16.425 1.00 1.00 H +ATOM 598 HB2 SER A 41 5.096 -2.152 -15.455 1.00 1.00 H +ATOM 599 HB3 SER A 41 4.569 -2.724 -17.025 1.00 1.00 H +ATOM 600 HG SER A 41 2.974 -3.351 -14.730 1.00 1.00 H +ATOM 601 N PRO A 42 7.059 -3.869 -14.298 1.00 1.00 N +ATOM 602 CA PRO A 42 7.844 -3.810 -13.076 1.00 1.00 C +ATOM 603 C PRO A 42 7.434 -2.610 -12.218 1.00 1.00 C +ATOM 604 O PRO A 42 8.030 -2.357 -11.173 1.00 1.00 O +ATOM 605 CB PRO A 42 9.289 -3.739 -13.541 1.00 1.00 C +ATOM 606 CG PRO A 42 9.238 -3.295 -14.994 1.00 1.00 C +ATOM 607 CD PRO A 42 7.805 -3.444 -15.478 1.00 1.00 C +ATOM 608 HA PRO A 42 7.674 -4.618 -12.514 1.00 1.00 H +ATOM 609 HB2 PRO A 42 9.861 -3.034 -12.937 1.00 1.00 H +ATOM 610 HB3 PRO A 42 9.777 -4.709 -13.446 1.00 1.00 H +ATOM 611 HG2 PRO A 42 9.569 -2.260 -15.088 1.00 1.00 H +ATOM 612 HG3 PRO A 42 9.912 -3.901 -15.602 1.00 1.00 H +ATOM 613 HD2 PRO A 42 7.421 -2.504 -15.872 1.00 1.00 H +ATOM 614 HD3 PRO A 42 7.732 -4.180 -16.278 1.00 1.00 H +ATOM 615 N GLY A 43 6.417 -1.904 -12.693 1.00 1.00 N +ATOM 616 CA GLY A 43 5.919 -0.738 -11.983 1.00 1.00 C +ATOM 617 C GLY A 43 5.465 0.347 -12.961 1.00 1.00 C +ATOM 618 O GLY A 43 5.958 1.472 -12.918 1.00 1.00 O +ATOM 619 H GLY A 43 5.938 -2.117 -13.544 1.00 1.00 H +ATOM 620 HA2 GLY A 43 5.087 -1.028 -11.340 1.00 1.00 H +ATOM 621 HA3 GLY A 43 6.701 -0.344 -11.333 1.00 1.00 H +ATOM 622 N GLN A 44 4.529 -0.030 -13.819 1.00 1.00 N +ATOM 623 CA GLN A 44 4.001 0.896 -14.806 1.00 1.00 C +ATOM 624 C GLN A 44 2.632 1.417 -14.367 1.00 1.00 C +ATOM 625 O GLN A 44 1.883 0.712 -13.692 1.00 1.00 O +ATOM 626 CB GLN A 44 3.923 0.241 -16.187 1.00 1.00 C +ATOM 627 CG GLN A 44 5.200 0.494 -16.988 1.00 1.00 C +ATOM 628 CD GLN A 44 6.429 -0.031 -16.242 1.00 1.00 C +ATOM 629 OE1 GLN A 44 6.347 -0.526 -15.130 1.00 1.00 O +ATOM 630 NE2 GLN A 44 7.569 0.105 -16.914 1.00 1.00 N +ATOM 631 H GLN A 44 4.133 -0.948 -13.847 1.00 1.00 H +ATOM 632 HA GLN A 44 4.715 1.719 -14.842 1.00 1.00 H +ATOM 633 HB2 GLN A 44 3.766 -0.832 -16.075 1.00 1.00 H +ATOM 634 HB3 GLN A 44 3.063 0.634 -16.731 1.00 1.00 H +ATOM 635 HG2 GLN A 44 5.126 0.009 -17.961 1.00 1.00 H +ATOM 636 HG3 GLN A 44 5.312 1.564 -17.172 1.00 1.00 H +ATOM 637 HE21 GLN A 44 7.567 0.521 -17.822 1.00 1.00 H +ATOM 638 HE22 GLN A 44 8.427 -0.208 -16.509 1.00 1.00 H +ATOM 639 N ARG A 45 2.345 2.647 -14.768 1.00 1.00 N +ATOM 640 CA ARG A 45 1.078 3.269 -14.423 1.00 1.00 C +ATOM 641 C ARG A 45 0.413 3.846 -15.676 1.00 1.00 C +ATOM 642 O ARG A 45 1.095 4.314 -16.586 1.00 1.00 O +ATOM 643 CB ARG A 45 1.275 4.389 -13.399 1.00 1.00 C +ATOM 644 CG ARG A 45 0.022 5.260 -13.291 1.00 1.00 C +ATOM 645 CD ARG A 45 0.081 6.428 -14.277 1.00 1.00 C +ATOM 646 NE ARG A 45 -0.497 7.643 -13.658 1.00 1.00 N +ATOM 647 CZ ARG A 45 0.213 8.732 -13.335 1.00 1.00 C +ATOM 648 NH1 ARG A 45 1.531 8.767 -13.571 1.00 1.00 N +ATOM 649 NH2 ARG A 45 -0.396 9.788 -12.778 1.00 1.00 N +ATOM 650 H ARG A 45 2.959 3.214 -15.316 1.00 1.00 H +ATOM 651 HA ARG A 45 0.479 2.466 -13.996 1.00 1.00 H +ATOM 652 HB2 ARG A 45 1.507 3.958 -12.425 1.00 1.00 H +ATOM 653 HB3 ARG A 45 2.127 5.004 -13.686 1.00 1.00 H +ATOM 654 HG2 ARG A 45 -0.863 4.656 -13.489 1.00 1.00 H +ATOM 655 HG3 ARG A 45 -0.075 5.642 -12.274 1.00 1.00 H +ATOM 656 HD2 ARG A 45 1.113 6.616 -14.570 1.00 1.00 H +ATOM 657 HD3 ARG A 45 -0.467 6.178 -15.185 1.00 1.00 H +ATOM 658 HE ARG A 45 -1.479 7.650 -13.467 1.00 1.00 H +ATOM 659 HH11 ARG A 45 1.986 7.979 -13.988 1.00 1.00 H +ATOM 660 HH12 ARG A 45 2.062 9.580 -13.330 1.00 1.00 H +ATOM 661 HH21 ARG A 45 -1.380 9.762 -12.601 1.00 1.00 H +ATOM 662 HH22 ARG A 45 0.134 10.601 -12.537 1.00 1.00 H +ATOM 663 N SER A 46 -0.911 3.793 -15.681 1.00 1.00 N +ATOM 664 CA SER A 46 -1.675 4.304 -16.806 1.00 1.00 C +ATOM 665 C SER A 46 -2.683 5.350 -16.322 1.00 1.00 C +ATOM 666 O SER A 46 -2.837 5.559 -15.119 1.00 1.00 O +ATOM 667 CB SER A 46 -2.397 3.173 -17.540 1.00 1.00 C +ATOM 668 OG SER A 46 -1.879 2.971 -18.852 1.00 1.00 O +ATOM 669 H SER A 46 -1.459 3.411 -14.936 1.00 1.00 H +ATOM 670 HA SER A 46 -0.942 4.758 -17.470 1.00 1.00 H +ATOM 671 HB2 SER A 46 -2.302 2.250 -16.968 1.00 1.00 H +ATOM 672 HB3 SER A 46 -3.462 3.400 -17.602 1.00 1.00 H +ATOM 673 HG SER A 46 -2.142 2.069 -19.190 1.00 1.00 H +ATOM 674 N ILE A 47 -3.342 5.978 -17.283 1.00 1.00 N +ATOM 675 CA ILE A 47 -4.331 6.998 -16.971 1.00 1.00 C +ATOM 676 C ILE A 47 -5.633 6.682 -17.709 1.00 1.00 C +ATOM 677 O ILE A 47 -5.620 6.402 -18.906 1.00 1.00 O +ATOM 678 CB ILE A 47 -3.776 8.391 -17.271 1.00 1.00 C +ATOM 679 CG1 ILE A 47 -3.847 9.289 -16.034 1.00 1.00 C +ATOM 680 CG2 ILE A 47 -4.486 9.016 -18.473 1.00 1.00 C +ATOM 681 CD1 ILE A 47 -2.446 9.655 -15.541 1.00 1.00 C +ATOM 682 H ILE A 47 -3.210 5.802 -18.259 1.00 1.00 H +ATOM 683 HA ILE A 47 -4.521 6.950 -15.899 1.00 1.00 H +ATOM 684 HB ILE A 47 -2.724 8.291 -17.535 1.00 1.00 H +ATOM 685 HG12 ILE A 47 -4.403 10.195 -16.269 1.00 1.00 H +ATOM 686 HG13 ILE A 47 -4.392 8.776 -15.241 1.00 1.00 H +ATOM 687 HG21 ILE A 47 -5.531 8.704 -18.483 1.00 1.00 H +ATOM 688 HG22 ILE A 47 -4.433 10.103 -18.403 1.00 1.00 H +ATOM 689 HG23 ILE A 47 -4.002 8.688 -19.393 1.00 1.00 H +ATOM 690 HD11 ILE A 47 -1.897 10.153 -16.342 1.00 1.00 H +ATOM 691 HD12 ILE A 47 -2.526 10.326 -14.685 1.00 1.00 H +ATOM 692 HD13 ILE A 47 -1.915 8.750 -15.247 1.00 1.00 H +ATOM 693 N SER A 48 -6.726 6.737 -16.962 1.00 1.00 N +ATOM 694 CA SER A 48 -8.035 6.460 -17.530 1.00 1.00 C +ATOM 695 C SER A 48 -8.885 7.733 -17.531 1.00 1.00 C +ATOM 696 O SER A 48 -9.382 8.152 -16.487 1.00 1.00 O +ATOM 697 CB SER A 48 -8.747 5.347 -16.759 1.00 1.00 C +ATOM 698 OG SER A 48 -8.876 4.158 -17.533 1.00 1.00 O +ATOM 699 H SER A 48 -6.728 6.965 -15.989 1.00 1.00 H +ATOM 700 HA SER A 48 -7.842 6.127 -18.550 1.00 1.00 H +ATOM 701 HB2 SER A 48 -8.192 5.128 -15.845 1.00 1.00 H +ATOM 702 HB3 SER A 48 -9.735 5.692 -16.455 1.00 1.00 H +ATOM 703 HG SER A 48 -9.775 4.130 -17.969 1.00 1.00 H +ATOM 704 N LEU A 49 -9.025 8.312 -18.716 1.00 1.00 N +ATOM 705 CA LEU A 49 -9.804 9.528 -18.866 1.00 1.00 C +ATOM 706 C LEU A 49 -11.189 9.175 -19.414 1.00 1.00 C +ATOM 707 O LEU A 49 -11.311 8.353 -20.320 1.00 1.00 O +ATOM 708 CB LEU A 49 -9.048 10.549 -19.718 1.00 1.00 C +ATOM 709 CG LEU A 49 -7.580 10.227 -20.003 1.00 1.00 C +ATOM 710 CD1 LEU A 49 -7.370 9.884 -21.480 1.00 1.00 C +ATOM 711 CD2 LEU A 49 -6.669 11.368 -19.545 1.00 1.00 C +ATOM 712 H LEU A 49 -8.616 7.964 -19.559 1.00 1.00 H +ATOM 713 HA LEU A 49 -9.927 9.963 -17.875 1.00 1.00 H +ATOM 714 HB2 LEU A 49 -9.568 10.654 -20.671 1.00 1.00 H +ATOM 715 HB3 LEU A 49 -9.098 11.517 -19.219 1.00 1.00 H +ATOM 716 HG LEU A 49 -7.305 9.344 -19.426 1.00 1.00 H +ATOM 717 HD11 LEU A 49 -8.150 10.355 -22.076 1.00 1.00 H +ATOM 718 HD12 LEU A 49 -6.394 10.250 -21.801 1.00 1.00 H +ATOM 719 HD13 LEU A 49 -7.414 8.803 -21.611 1.00 1.00 H +ATOM 720 HD21 LEU A 49 -7.227 12.304 -19.553 1.00 1.00 H +ATOM 721 HD22 LEU A 49 -6.314 11.167 -18.535 1.00 1.00 H +ATOM 722 HD23 LEU A 49 -5.817 11.447 -20.220 1.00 1.00 H +ATOM 723 N ARG A 50 -12.198 9.817 -18.841 1.00 1.00 N +ATOM 724 CA ARG A 50 -13.568 9.581 -19.261 1.00 1.00 C +ATOM 725 C ARG A 50 -14.099 10.785 -20.044 1.00 1.00 C +ATOM 726 O ARG A 50 -13.912 11.928 -19.631 1.00 1.00 O +ATOM 727 CB ARG A 50 -14.477 9.325 -18.057 1.00 1.00 C +ATOM 728 CG ARG A 50 -15.904 9.806 -18.333 1.00 1.00 C +ATOM 729 CD ARG A 50 -16.928 8.749 -17.916 1.00 1.00 C +ATOM 730 NE ARG A 50 -17.264 7.886 -19.069 1.00 1.00 N +ATOM 731 CZ ARG A 50 -18.034 6.792 -18.991 1.00 1.00 C +ATOM 732 NH1 ARG A 50 -18.554 6.422 -17.813 1.00 1.00 N +ATOM 733 NH2 ARG A 50 -18.285 6.068 -20.091 1.00 1.00 N +ATOM 734 H ARG A 50 -12.089 10.484 -18.105 1.00 1.00 H +ATOM 735 HA ARG A 50 -13.519 8.693 -19.892 1.00 1.00 H +ATOM 736 HB2 ARG A 50 -14.487 8.260 -17.824 1.00 1.00 H +ATOM 737 HB3 ARG A 50 -14.080 9.839 -17.181 1.00 1.00 H +ATOM 738 HG2 ARG A 50 -16.090 10.732 -17.792 1.00 1.00 H +ATOM 739 HG3 ARG A 50 -16.016 10.028 -19.394 1.00 1.00 H +ATOM 740 HD2 ARG A 50 -16.528 8.145 -17.102 1.00 1.00 H +ATOM 741 HD3 ARG A 50 -17.830 9.233 -17.540 1.00 1.00 H +ATOM 742 HE ARG A 50 -16.892 8.134 -19.965 1.00 1.00 H +ATOM 743 HH11 ARG A 50 -18.366 6.962 -16.992 1.00 1.00 H +ATOM 744 HH12 ARG A 50 -19.128 5.606 -17.754 1.00 1.00 H +ATOM 745 HH21 ARG A 50 -17.898 6.345 -20.970 1.00 1.00 H +ATOM 746 HH22 ARG A 50 -18.860 5.253 -20.032 1.00 1.00 H +ATOM 747 N TYR A 51 -14.747 10.485 -21.158 1.00 1.00 N +ATOM 748 CA TYR A 51 -15.305 11.528 -22.004 1.00 1.00 C +ATOM 749 C TYR A 51 -16.834 11.470 -22.008 1.00 1.00 C +ATOM 750 O TYR A 51 -17.440 10.913 -21.094 1.00 1.00 O +ATOM 751 CB TYR A 51 -14.791 11.245 -23.417 1.00 1.00 C +ATOM 752 CG TYR A 51 -13.689 12.199 -23.881 1.00 1.00 C +ATOM 753 CD1 TYR A 51 -12.438 12.139 -23.302 1.00 1.00 C +ATOM 754 CD2 TYR A 51 -13.947 13.118 -24.879 1.00 1.00 C +ATOM 755 CE1 TYR A 51 -11.400 13.038 -23.739 1.00 1.00 C +ATOM 756 CE2 TYR A 51 -12.908 14.015 -25.314 1.00 1.00 C +ATOM 757 CZ TYR A 51 -11.686 13.931 -24.724 1.00 1.00 C +ATOM 758 OH TYR A 51 -10.706 14.779 -25.136 1.00 1.00 O +ATOM 759 H TYR A 51 -14.894 9.552 -21.488 1.00 1.00 H +ATOM 760 HA TYR A 51 -14.986 12.490 -21.604 1.00 1.00 H +ATOM 761 HB2 TYR A 51 -14.416 10.222 -23.459 1.00 1.00 H +ATOM 762 HB3 TYR A 51 -15.628 11.306 -24.115 1.00 1.00 H +ATOM 763 HD1 TYR A 51 -12.235 11.413 -22.515 1.00 1.00 H +ATOM 764 HD2 TYR A 51 -14.935 13.164 -25.335 1.00 1.00 H +ATOM 765 HE1 TYR A 51 -10.407 13.002 -23.291 1.00 1.00 H +ATOM 766 HE2 TYR A 51 -13.098 14.746 -26.101 1.00 1.00 H +ATOM 767 HH TYR A 51 -10.802 15.662 -24.677 1.00 1.00 H +ATOM 768 N GLU A 52 -17.413 12.054 -23.047 1.00 1.00 N +ATOM 769 CA GLU A 52 -18.860 12.077 -23.182 1.00 1.00 C +ATOM 770 C GLU A 52 -19.389 10.666 -23.453 1.00 1.00 C +ATOM 771 O GLU A 52 -20.154 10.457 -24.393 1.00 1.00 O +ATOM 772 CB GLU A 52 -19.293 13.046 -24.283 1.00 1.00 C +ATOM 773 CG GLU A 52 -19.157 14.497 -23.820 1.00 1.00 C +ATOM 774 CD GLU A 52 -18.606 15.382 -24.939 1.00 1.00 C +ATOM 775 OE1 GLU A 52 -19.109 15.239 -26.075 1.00 1.00 O +ATOM 776 OE2 GLU A 52 -17.696 16.182 -24.635 1.00 1.00 O +ATOM 777 H GLU A 52 -16.912 12.505 -23.786 1.00 1.00 H +ATOM 778 HA GLU A 52 -19.235 12.435 -22.224 1.00 1.00 H +ATOM 779 HB2 GLU A 52 -18.683 12.887 -25.172 1.00 1.00 H +ATOM 780 HB3 GLU A 52 -20.326 12.844 -24.565 1.00 1.00 H +ATOM 781 HG2 GLU A 52 -20.131 14.873 -23.501 1.00 1.00 H +ATOM 782 HG3 GLU A 52 -18.498 14.547 -22.954 1.00 1.00 H +ATOM 783 N GLY A 53 -18.962 9.737 -22.612 1.00 1.00 N +ATOM 784 CA GLY A 53 -19.384 8.353 -22.749 1.00 1.00 C +ATOM 785 C GLY A 53 -18.275 7.501 -23.369 1.00 1.00 C +ATOM 786 O GLY A 53 -18.549 6.603 -24.164 1.00 1.00 O +ATOM 787 H GLY A 53 -18.341 9.916 -21.849 1.00 1.00 H +ATOM 788 HA2 GLY A 53 -19.651 7.952 -21.771 1.00 1.00 H +ATOM 789 HA3 GLY A 53 -20.278 8.301 -23.371 1.00 1.00 H +ATOM 790 N ARG A 54 -17.047 7.812 -22.982 1.00 1.00 N +ATOM 791 CA ARG A 54 -15.896 7.086 -23.491 1.00 1.00 C +ATOM 792 C ARG A 54 -14.763 7.098 -22.461 1.00 1.00 C +ATOM 793 O ARG A 54 -14.559 8.094 -21.769 1.00 1.00 O +ATOM 794 CB ARG A 54 -15.392 7.699 -24.799 1.00 1.00 C +ATOM 795 CG ARG A 54 -15.369 6.656 -25.920 1.00 1.00 C +ATOM 796 CD ARG A 54 -16.758 6.490 -26.540 1.00 1.00 C +ATOM 797 NE ARG A 54 -16.641 5.877 -27.883 1.00 1.00 N +ATOM 798 CZ ARG A 54 -16.465 6.573 -29.014 1.00 1.00 C +ATOM 799 NH1 ARG A 54 -16.382 7.910 -28.971 1.00 1.00 N +ATOM 800 NH2 ARG A 54 -16.370 5.933 -30.187 1.00 1.00 N +ATOM 801 H ARG A 54 -16.833 8.544 -22.336 1.00 1.00 H +ATOM 802 HA ARG A 54 -16.258 6.074 -23.662 1.00 1.00 H +ATOM 803 HB2 ARG A 54 -16.033 8.533 -25.085 1.00 1.00 H +ATOM 804 HB3 ARG A 54 -14.390 8.103 -24.654 1.00 1.00 H +ATOM 805 HG2 ARG A 54 -14.657 6.959 -26.688 1.00 1.00 H +ATOM 806 HG3 ARG A 54 -15.027 5.700 -25.525 1.00 1.00 H +ATOM 807 HD2 ARG A 54 -17.379 5.865 -25.899 1.00 1.00 H +ATOM 808 HD3 ARG A 54 -17.250 7.460 -26.616 1.00 1.00 H +ATOM 809 HE ARG A 54 -16.698 4.881 -27.950 1.00 1.00 H +ATOM 810 HH11 ARG A 54 -16.453 8.388 -28.097 1.00 1.00 H +ATOM 811 HH12 ARG A 54 -16.250 8.430 -29.816 1.00 1.00 H +ATOM 812 HH21 ARG A 54 -16.431 4.935 -30.219 1.00 1.00 H +ATOM 813 HH22 ARG A 54 -16.238 6.452 -31.031 1.00 1.00 H +ATOM 814 N VAL A 55 -14.058 5.979 -22.392 1.00 1.00 N +ATOM 815 CA VAL A 55 -12.952 5.847 -21.458 1.00 1.00 C +ATOM 816 C VAL A 55 -11.659 5.603 -22.238 1.00 1.00 C +ATOM 817 O VAL A 55 -11.567 4.652 -23.015 1.00 1.00 O +ATOM 818 CB VAL A 55 -13.255 4.746 -20.440 1.00 1.00 C +ATOM 819 CG1 VAL A 55 -13.252 3.368 -21.106 1.00 1.00 C +ATOM 820 CG2 VAL A 55 -12.267 4.793 -19.272 1.00 1.00 C +ATOM 821 H VAL A 55 -14.231 5.173 -22.958 1.00 1.00 H +ATOM 822 HA VAL A 55 -12.864 6.791 -20.920 1.00 1.00 H +ATOM 823 HB VAL A 55 -14.254 4.924 -20.042 1.00 1.00 H +ATOM 824 HG11 VAL A 55 -12.280 3.190 -21.569 1.00 1.00 H +ATOM 825 HG12 VAL A 55 -13.444 2.601 -20.355 1.00 1.00 H +ATOM 826 HG13 VAL A 55 -14.030 3.333 -21.869 1.00 1.00 H +ATOM 827 HG21 VAL A 55 -12.014 5.830 -19.052 1.00 1.00 H +ATOM 828 HG22 VAL A 55 -12.721 4.334 -18.394 1.00 1.00 H +ATOM 829 HG23 VAL A 55 -11.362 4.248 -19.540 1.00 1.00 H +ATOM 830 N TYR A 56 -10.691 6.475 -22.004 1.00 1.00 N +ATOM 831 CA TYR A 56 -9.406 6.366 -22.675 1.00 1.00 C +ATOM 832 C TYR A 56 -8.316 5.918 -21.700 1.00 1.00 C +ATOM 833 O TYR A 56 -8.111 6.542 -20.661 1.00 1.00 O +ATOM 834 CB TYR A 56 -9.073 7.771 -23.182 1.00 1.00 C +ATOM 835 CG TYR A 56 -9.910 8.213 -24.385 1.00 1.00 C +ATOM 836 CD1 TYR A 56 -11.164 8.757 -24.190 1.00 1.00 C +ATOM 837 CD2 TYR A 56 -9.412 8.067 -25.663 1.00 1.00 C +ATOM 838 CE1 TYR A 56 -11.952 9.172 -25.321 1.00 1.00 C +ATOM 839 CE2 TYR A 56 -10.200 8.484 -26.794 1.00 1.00 C +ATOM 840 CZ TYR A 56 -11.430 9.016 -26.568 1.00 1.00 C +ATOM 841 OH TYR A 56 -12.175 9.408 -27.636 1.00 1.00 O +ATOM 842 H TYR A 56 -10.772 7.246 -21.372 1.00 1.00 H +ATOM 843 HA TYR A 56 -9.503 5.625 -23.467 1.00 1.00 H +ATOM 844 HB2 TYR A 56 -9.218 8.483 -22.371 1.00 1.00 H +ATOM 845 HB3 TYR A 56 -8.019 7.808 -23.453 1.00 1.00 H +ATOM 846 HD1 TYR A 56 -11.558 8.872 -23.180 1.00 1.00 H +ATOM 847 HD2 TYR A 56 -8.421 7.639 -25.816 1.00 1.00 H +ATOM 848 HE1 TYR A 56 -12.944 9.603 -25.182 1.00 1.00 H +ATOM 849 HE2 TYR A 56 -9.818 8.375 -27.810 1.00 1.00 H +ATOM 850 HH TYR A 56 -12.163 8.699 -28.341 1.00 1.00 H +ATOM 851 N HIS A 57 -7.644 4.837 -22.072 1.00 1.00 N +ATOM 852 CA HIS A 57 -6.578 4.297 -21.243 1.00 1.00 C +ATOM 853 C HIS A 57 -5.237 4.461 -21.960 1.00 1.00 C +ATOM 854 O HIS A 57 -4.935 3.723 -22.897 1.00 1.00 O +ATOM 855 CB HIS A 57 -6.871 2.846 -20.859 1.00 1.00 C +ATOM 856 CG HIS A 57 -8.318 2.582 -20.514 1.00 1.00 C +ATOM 857 ND1 HIS A 57 -8.729 2.197 -19.251 1.00 1.00 N +ATOM 858 CD2 HIS A 57 -9.444 2.652 -21.282 1.00 1.00 C +ATOM 859 CE1 HIS A 57 -10.046 2.044 -19.268 1.00 1.00 C +ATOM 860 NE2 HIS A 57 -10.486 2.326 -20.527 1.00 1.00 N +ATOM 861 H HIS A 57 -7.816 4.335 -22.919 1.00 1.00 H +ATOM 862 HA HIS A 57 -6.566 4.888 -20.327 1.00 1.00 H +ATOM 863 HB2 HIS A 57 -6.580 2.196 -21.685 1.00 1.00 H +ATOM 864 HB3 HIS A 57 -6.250 2.573 -20.006 1.00 1.00 H +ATOM 865 HD1 HIS A 57 -8.136 2.057 -18.460 1.00 1.00 H +ATOM 866 HD2 HIS A 57 -9.481 2.930 -22.336 1.00 1.00 H +ATOM 867 HE1 HIS A 57 -10.667 1.745 -18.424 1.00 1.00 H +ATOM 868 N TYR A 58 -4.467 5.434 -21.493 1.00 1.00 N +ATOM 869 CA TYR A 58 -3.165 5.705 -22.078 1.00 1.00 C +ATOM 870 C TYR A 58 -2.060 5.605 -21.025 1.00 1.00 C +ATOM 871 O TYR A 58 -2.019 6.397 -20.086 1.00 1.00 O +ATOM 872 CB TYR A 58 -3.227 7.141 -22.600 1.00 1.00 C +ATOM 873 CG TYR A 58 -3.018 7.264 -24.111 1.00 1.00 C +ATOM 874 CD1 TYR A 58 -4.026 6.894 -24.979 1.00 1.00 C +ATOM 875 CD2 TYR A 58 -1.823 7.745 -24.605 1.00 1.00 C +ATOM 876 CE1 TYR A 58 -3.828 7.010 -26.401 1.00 1.00 C +ATOM 877 CE2 TYR A 58 -1.627 7.862 -26.026 1.00 1.00 C +ATOM 878 CZ TYR A 58 -2.639 7.488 -26.854 1.00 1.00 C +ATOM 879 OH TYR A 58 -2.453 7.597 -28.197 1.00 1.00 O +ATOM 880 H TYR A 58 -4.720 6.029 -20.731 1.00 1.00 H +ATOM 881 HA TYR A 58 -2.985 4.962 -22.855 1.00 1.00 H +ATOM 882 HB2 TYR A 58 -4.196 7.569 -22.341 1.00 1.00 H +ATOM 883 HB3 TYR A 58 -2.470 7.735 -22.088 1.00 1.00 H +ATOM 884 HD1 TYR A 58 -4.970 6.514 -24.587 1.00 1.00 H +ATOM 885 HD2 TYR A 58 -1.029 8.037 -23.919 1.00 1.00 H +ATOM 886 HE1 TYR A 58 -4.615 6.722 -27.097 1.00 1.00 H +ATOM 887 HE2 TYR A 58 -0.687 8.240 -26.431 1.00 1.00 H +ATOM 888 HH TYR A 58 -2.622 6.717 -28.638 1.00 1.00 H +ATOM 889 N ARG A 59 -1.190 4.623 -21.217 1.00 1.00 N +ATOM 890 CA ARG A 59 -0.089 4.408 -20.296 1.00 1.00 C +ATOM 891 C ARG A 59 1.007 5.451 -20.528 1.00 1.00 C +ATOM 892 O ARG A 59 1.291 5.815 -21.667 1.00 1.00 O +ATOM 893 CB ARG A 59 0.506 3.007 -20.464 1.00 1.00 C +ATOM 894 CG ARG A 59 0.688 2.664 -21.943 1.00 1.00 C +ATOM 895 CD ARG A 59 2.073 2.067 -22.201 1.00 1.00 C +ATOM 896 NE ARG A 59 1.962 0.905 -23.111 1.00 1.00 N +ATOM 897 CZ ARG A 59 1.322 -0.232 -22.803 1.00 1.00 C +ATOM 898 NH1 ARG A 59 0.733 -0.367 -21.609 1.00 1.00 N +ATOM 899 NH2 ARG A 59 1.272 -1.234 -23.692 1.00 1.00 N +ATOM 900 H ARG A 59 -1.231 3.981 -21.983 1.00 1.00 H +ATOM 901 HA ARG A 59 -0.529 4.514 -19.304 1.00 1.00 H +ATOM 902 HB2 ARG A 59 1.468 2.954 -19.952 1.00 1.00 H +ATOM 903 HB3 ARG A 59 -0.147 2.273 -19.994 1.00 1.00 H +ATOM 904 HG2 ARG A 59 -0.081 1.956 -22.253 1.00 1.00 H +ATOM 905 HG3 ARG A 59 0.558 3.561 -22.547 1.00 1.00 H +ATOM 906 HD2 ARG A 59 2.728 2.819 -22.638 1.00 1.00 H +ATOM 907 HD3 ARG A 59 2.526 1.758 -21.258 1.00 1.00 H +ATOM 908 HE ARG A 59 2.392 0.972 -24.012 1.00 1.00 H +ATOM 909 HH11 ARG A 59 0.769 0.380 -20.945 1.00 1.00 H +ATOM 910 HH12 ARG A 59 0.255 -1.216 -21.379 1.00 1.00 H +ATOM 911 HH21 ARG A 59 1.712 -1.133 -24.584 1.00 1.00 H +ATOM 912 HH22 ARG A 59 0.795 -2.082 -23.464 1.00 1.00 H +ATOM 913 N ILE A 60 1.594 5.900 -19.428 1.00 1.00 N +ATOM 914 CA ILE A 60 2.652 6.894 -19.497 1.00 1.00 C +ATOM 915 C ILE A 60 3.991 6.191 -19.728 1.00 1.00 C +ATOM 916 O ILE A 60 4.116 4.991 -19.487 1.00 1.00 O +ATOM 917 CB ILE A 60 2.632 7.785 -18.254 1.00 1.00 C +ATOM 918 CG1 ILE A 60 1.252 8.414 -18.051 1.00 1.00 C +ATOM 919 CG2 ILE A 60 3.739 8.839 -18.318 1.00 1.00 C +ATOM 920 CD1 ILE A 60 0.708 8.105 -16.655 1.00 1.00 C +ATOM 921 H ILE A 60 1.357 5.598 -18.504 1.00 1.00 H +ATOM 922 HA ILE A 60 2.445 7.533 -20.355 1.00 1.00 H +ATOM 923 HB ILE A 60 2.833 7.161 -17.382 1.00 1.00 H +ATOM 924 HG12 ILE A 60 1.316 9.492 -18.191 1.00 1.00 H +ATOM 925 HG13 ILE A 60 0.563 8.035 -18.805 1.00 1.00 H +ATOM 926 HG21 ILE A 60 3.779 9.264 -19.321 1.00 1.00 H +ATOM 927 HG22 ILE A 60 3.529 9.630 -17.597 1.00 1.00 H +ATOM 928 HG23 ILE A 60 4.697 8.377 -18.080 1.00 1.00 H +ATOM 929 HD11 ILE A 60 0.778 7.034 -16.466 1.00 1.00 H +ATOM 930 HD12 ILE A 60 1.294 8.644 -15.910 1.00 1.00 H +ATOM 931 HD13 ILE A 60 -0.335 8.418 -16.594 1.00 1.00 H +ATOM 932 N ASN A 61 4.958 6.968 -20.194 1.00 1.00 N +ATOM 933 CA ASN A 61 6.283 6.434 -20.461 1.00 1.00 C +ATOM 934 C ASN A 61 7.180 6.678 -19.245 1.00 1.00 C +ATOM 935 O ASN A 61 6.825 7.444 -18.351 1.00 1.00 O +ATOM 936 CB ASN A 61 6.923 7.126 -21.666 1.00 1.00 C +ATOM 937 CG ASN A 61 5.866 7.501 -22.707 1.00 1.00 C +ATOM 938 OD1 ASN A 61 5.131 6.669 -23.211 1.00 1.00 O +ATOM 939 ND2 ASN A 61 5.833 8.798 -23.000 1.00 1.00 N +ATOM 940 H ASN A 61 4.848 7.942 -20.388 1.00 1.00 H +ATOM 941 HA ASN A 61 6.131 5.374 -20.660 1.00 1.00 H +ATOM 942 HB2 ASN A 61 7.449 8.022 -21.339 1.00 1.00 H +ATOM 943 HB3 ASN A 61 7.665 6.467 -22.116 1.00 1.00 H +ATOM 944 HD21 ASN A 61 6.464 9.429 -22.551 1.00 1.00 H +ATOM 945 HD22 ASN A 61 5.174 9.143 -23.671 1.00 1.00 H +ATOM 946 N THR A 62 8.326 6.011 -19.253 1.00 1.00 N +ATOM 947 CA THR A 62 9.275 6.146 -18.161 1.00 1.00 C +ATOM 948 C THR A 62 10.540 6.862 -18.641 1.00 1.00 C +ATOM 949 O THR A 62 10.980 6.662 -19.772 1.00 1.00 O +ATOM 950 CB THR A 62 9.546 4.750 -17.595 1.00 1.00 C +ATOM 951 OG1 THR A 62 8.250 4.172 -17.464 1.00 1.00 O +ATOM 952 CG2 THR A 62 10.083 4.793 -16.163 1.00 1.00 C +ATOM 953 H THR A 62 8.606 5.390 -19.984 1.00 1.00 H +ATOM 954 HA THR A 62 8.827 6.771 -17.390 1.00 1.00 H +ATOM 955 HB THR A 62 10.217 4.189 -18.247 1.00 1.00 H +ATOM 956 HG1 THR A 62 7.712 4.347 -18.288 1.00 1.00 H +ATOM 957 HG21 THR A 62 10.789 5.617 -16.064 1.00 1.00 H +ATOM 958 HG22 THR A 62 9.254 4.938 -15.469 1.00 1.00 H +ATOM 959 HG23 THR A 62 10.587 3.854 -15.936 1.00 1.00 H +ATOM 960 N ALA A 63 11.088 7.682 -17.757 1.00 1.00 N +ATOM 961 CA ALA A 63 12.292 8.429 -18.075 1.00 1.00 C +ATOM 962 C ALA A 63 13.470 7.461 -18.202 1.00 1.00 C +ATOM 963 O ALA A 63 13.411 6.502 -18.970 1.00 1.00 O +ATOM 964 CB ALA A 63 12.529 9.497 -17.004 1.00 1.00 C +ATOM 965 H ALA A 63 10.724 7.838 -16.838 1.00 1.00 H +ATOM 966 HA ALA A 63 12.134 8.921 -19.034 1.00 1.00 H +ATOM 967 HB1 ALA A 63 11.605 10.047 -16.830 1.00 1.00 H +ATOM 968 HB2 ALA A 63 12.849 9.019 -16.079 1.00 1.00 H +ATOM 969 HB3 ALA A 63 13.303 10.186 -17.344 1.00 1.00 H +ATOM 970 N SER A 64 14.514 7.744 -17.435 1.00 1.00 N +ATOM 971 CA SER A 64 15.703 6.909 -17.452 1.00 1.00 C +ATOM 972 C SER A 64 15.331 5.461 -17.131 1.00 1.00 C +ATOM 973 O SER A 64 15.387 4.594 -18.003 1.00 1.00 O +ATOM 974 CB SER A 64 16.749 7.421 -16.459 1.00 1.00 C +ATOM 975 OG SER A 64 17.769 6.456 -16.213 1.00 1.00 O +ATOM 976 H SER A 64 14.555 8.526 -16.813 1.00 1.00 H +ATOM 977 HA SER A 64 16.096 6.988 -18.466 1.00 1.00 H +ATOM 978 HB2 SER A 64 17.201 8.334 -16.847 1.00 1.00 H +ATOM 979 HB3 SER A 64 16.261 7.681 -15.520 1.00 1.00 H +ATOM 980 HG SER A 64 17.387 5.675 -15.719 1.00 1.00 H +ATOM 981 N ASP A 65 14.959 5.242 -15.879 1.00 1.00 N +ATOM 982 CA ASP A 65 14.578 3.913 -15.432 1.00 1.00 C +ATOM 983 C ASP A 65 13.766 4.027 -14.140 1.00 1.00 C +ATOM 984 O ASP A 65 14.122 3.431 -13.124 1.00 1.00 O +ATOM 985 CB ASP A 65 15.812 3.055 -15.142 1.00 1.00 C +ATOM 986 CG ASP A 65 15.582 1.544 -15.233 1.00 1.00 C +ATOM 987 OD1 ASP A 65 15.190 0.967 -14.196 1.00 1.00 O +ATOM 988 OD2 ASP A 65 15.808 1.002 -16.336 1.00 1.00 O +ATOM 989 H ASP A 65 14.917 5.953 -15.176 1.00 1.00 H +ATOM 990 HA ASP A 65 13.999 3.491 -16.253 1.00 1.00 H +ATOM 991 HB2 ASP A 65 16.600 3.331 -15.842 1.00 1.00 H +ATOM 992 HB3 ASP A 65 16.173 3.293 -14.142 1.00 1.00 H +ATOM 993 N GLY A 66 12.692 4.798 -14.220 1.00 1.00 N +ATOM 994 CA GLY A 66 11.827 4.998 -13.070 1.00 1.00 C +ATOM 995 C GLY A 66 10.893 6.191 -13.287 1.00 1.00 C +ATOM 996 O GLY A 66 9.682 6.019 -13.417 1.00 1.00 O +ATOM 997 H GLY A 66 12.410 5.280 -15.049 1.00 1.00 H +ATOM 998 HA2 GLY A 66 11.238 4.098 -12.891 1.00 1.00 H +ATOM 999 HA3 GLY A 66 12.432 5.164 -12.179 1.00 1.00 H +ATOM 1000 N LYS A 67 11.492 7.372 -13.319 1.00 1.00 N +ATOM 1001 CA LYS A 67 10.729 8.592 -13.518 1.00 1.00 C +ATOM 1002 C LYS A 67 9.674 8.359 -14.600 1.00 1.00 C +ATOM 1003 O LYS A 67 9.848 7.504 -15.468 1.00 1.00 O +ATOM 1004 CB LYS A 67 11.664 9.767 -13.814 1.00 1.00 C +ATOM 1005 CG LYS A 67 13.090 9.464 -13.346 1.00 1.00 C +ATOM 1006 CD LYS A 67 13.948 10.730 -13.350 1.00 1.00 C +ATOM 1007 CE LYS A 67 15.150 10.580 -12.415 1.00 1.00 C +ATOM 1008 NZ LYS A 67 15.314 11.793 -11.583 1.00 1.00 N +ATOM 1009 H LYS A 67 12.478 7.503 -13.213 1.00 1.00 H +ATOM 1010 HA LYS A 67 10.220 8.815 -12.581 1.00 1.00 H +ATOM 1011 HB2 LYS A 67 11.664 9.976 -14.884 1.00 1.00 H +ATOM 1012 HB3 LYS A 67 11.297 10.664 -13.315 1.00 1.00 H +ATOM 1013 HG2 LYS A 67 13.065 9.040 -12.343 1.00 1.00 H +ATOM 1014 HG3 LYS A 67 13.538 8.715 -14.000 1.00 1.00 H +ATOM 1015 HD2 LYS A 67 14.294 10.938 -14.363 1.00 1.00 H +ATOM 1016 HD3 LYS A 67 13.344 11.583 -13.038 1.00 1.00 H +ATOM 1017 HE2 LYS A 67 15.014 9.708 -11.775 1.00 1.00 H +ATOM 1018 HE3 LYS A 67 16.053 10.408 -12.999 1.00 1.00 H +ATOM 1019 HZ1 LYS A 67 15.127 12.605 -12.135 1.00 1.00 H +ATOM 1020 HZ2 LYS A 67 14.674 11.759 -10.814 1.00 1.00 H +ATOM 1021 HZ3 LYS A 67 16.250 11.833 -11.234 1.00 1.00 H +ATOM 1022 N LEU A 68 8.602 9.133 -14.515 1.00 1.00 N +ATOM 1023 CA LEU A 68 7.519 9.021 -15.476 1.00 1.00 C +ATOM 1024 C LEU A 68 7.384 10.338 -16.242 1.00 1.00 C +ATOM 1025 O LEU A 68 7.062 11.371 -15.655 1.00 1.00 O +ATOM 1026 CB LEU A 68 6.230 8.578 -14.782 1.00 1.00 C +ATOM 1027 CG LEU A 68 6.373 7.454 -13.754 1.00 1.00 C +ATOM 1028 CD1 LEU A 68 5.430 7.670 -12.569 1.00 1.00 C +ATOM 1029 CD2 LEU A 68 6.171 6.085 -14.406 1.00 1.00 C +ATOM 1030 H LEU A 68 8.468 9.826 -13.806 1.00 1.00 H +ATOM 1031 HA LEU A 68 7.790 8.237 -16.184 1.00 1.00 H +ATOM 1032 HB2 LEU A 68 5.792 9.444 -14.285 1.00 1.00 H +ATOM 1033 HB3 LEU A 68 5.521 8.256 -15.545 1.00 1.00 H +ATOM 1034 HG LEU A 68 7.392 7.476 -13.363 1.00 1.00 H +ATOM 1035 HD11 LEU A 68 4.491 8.096 -12.926 1.00 1.00 H +ATOM 1036 HD12 LEU A 68 5.233 6.714 -12.084 1.00 1.00 H +ATOM 1037 HD13 LEU A 68 5.892 8.352 -11.857 1.00 1.00 H +ATOM 1038 HD21 LEU A 68 6.657 6.072 -15.382 1.00 1.00 H +ATOM 1039 HD22 LEU A 68 6.607 5.313 -13.772 1.00 1.00 H +ATOM 1040 HD23 LEU A 68 5.105 5.895 -14.529 1.00 1.00 H +ATOM 1041 N TYR A 69 7.636 10.260 -17.541 1.00 1.00 N +ATOM 1042 CA TYR A 69 7.545 11.434 -18.392 1.00 1.00 C +ATOM 1043 C TYR A 69 6.701 11.147 -19.635 1.00 1.00 C +ATOM 1044 O TYR A 69 6.986 10.208 -20.379 1.00 1.00 O +ATOM 1045 CB TYR A 69 8.978 11.752 -18.824 1.00 1.00 C +ATOM 1046 CG TYR A 69 9.416 11.033 -20.102 1.00 1.00 C +ATOM 1047 CD1 TYR A 69 9.555 9.661 -20.108 1.00 1.00 C +ATOM 1048 CD2 TYR A 69 9.673 11.759 -21.248 1.00 1.00 C +ATOM 1049 CE1 TYR A 69 9.969 8.984 -21.311 1.00 1.00 C +ATOM 1050 CE2 TYR A 69 10.084 11.082 -22.451 1.00 1.00 C +ATOM 1051 CZ TYR A 69 10.212 9.728 -22.423 1.00 1.00 C +ATOM 1052 OH TYR A 69 10.602 9.090 -23.558 1.00 1.00 O +ATOM 1053 H TYR A 69 7.895 9.417 -18.010 1.00 1.00 H +ATOM 1054 HA TYR A 69 7.072 12.231 -17.819 1.00 1.00 H +ATOM 1055 HB2 TYR A 69 9.071 12.827 -18.974 1.00 1.00 H +ATOM 1056 HB3 TYR A 69 9.659 11.482 -18.017 1.00 1.00 H +ATOM 1057 HD1 TYR A 69 9.353 9.088 -19.203 1.00 1.00 H +ATOM 1058 HD2 TYR A 69 9.563 12.843 -21.243 1.00 1.00 H +ATOM 1059 HE1 TYR A 69 10.081 7.900 -21.330 1.00 1.00 H +ATOM 1060 HE2 TYR A 69 10.291 11.642 -23.363 1.00 1.00 H +ATOM 1061 HH TYR A 69 11.241 8.354 -23.336 1.00 1.00 H +ATOM 1062 N VAL A 70 5.681 11.970 -19.824 1.00 1.00 N +ATOM 1063 CA VAL A 70 4.795 11.816 -20.964 1.00 1.00 C +ATOM 1064 C VAL A 70 5.431 12.473 -22.192 1.00 1.00 C +ATOM 1065 O VAL A 70 5.315 11.960 -23.305 1.00 1.00 O +ATOM 1066 CB VAL A 70 3.412 12.381 -20.633 1.00 1.00 C +ATOM 1067 CG1 VAL A 70 2.341 11.779 -21.545 1.00 1.00 C +ATOM 1068 CG2 VAL A 70 3.068 12.158 -19.160 1.00 1.00 C +ATOM 1069 H VAL A 70 5.457 12.731 -19.215 1.00 1.00 H +ATOM 1070 HA VAL A 70 4.687 10.748 -21.154 1.00 1.00 H +ATOM 1071 HB VAL A 70 3.438 13.456 -20.812 1.00 1.00 H +ATOM 1072 HG11 VAL A 70 2.806 11.420 -22.463 1.00 1.00 H +ATOM 1073 HG12 VAL A 70 1.856 10.947 -21.034 1.00 1.00 H +ATOM 1074 HG13 VAL A 70 1.600 12.540 -21.786 1.00 1.00 H +ATOM 1075 HG21 VAL A 70 3.335 11.140 -18.873 1.00 1.00 H +ATOM 1076 HG22 VAL A 70 3.623 12.867 -18.545 1.00 1.00 H +ATOM 1077 HG23 VAL A 70 1.998 12.308 -19.010 1.00 1.00 H +ATOM 1078 N SER A 71 6.089 13.596 -21.947 1.00 1.00 N +ATOM 1079 CA SER A 71 6.744 14.328 -23.019 1.00 1.00 C +ATOM 1080 C SER A 71 8.257 14.121 -22.946 1.00 1.00 C +ATOM 1081 O SER A 71 8.762 13.062 -23.312 1.00 1.00 O +ATOM 1082 CB SER A 71 6.408 15.819 -22.952 1.00 1.00 C +ATOM 1083 OG SER A 71 7.039 16.556 -23.997 1.00 1.00 O +ATOM 1084 H SER A 71 6.179 14.006 -21.040 1.00 1.00 H +ATOM 1085 HA SER A 71 6.345 13.906 -23.942 1.00 1.00 H +ATOM 1086 HB2 SER A 71 5.327 15.951 -23.019 1.00 1.00 H +ATOM 1087 HB3 SER A 71 6.719 16.219 -21.988 1.00 1.00 H +ATOM 1088 HG SER A 71 7.159 15.973 -24.802 1.00 1.00 H +ATOM 1089 N SER A 72 8.940 15.151 -22.468 1.00 1.00 N +ATOM 1090 CA SER A 72 10.388 15.096 -22.341 1.00 1.00 C +ATOM 1091 C SER A 72 10.833 15.864 -21.095 1.00 1.00 C +ATOM 1092 O SER A 72 11.507 15.309 -20.228 1.00 1.00 O +ATOM 1093 CB SER A 72 11.071 15.662 -23.586 1.00 1.00 C +ATOM 1094 OG SER A 72 10.820 17.056 -23.747 1.00 1.00 O +ATOM 1095 H SER A 72 8.523 16.010 -22.172 1.00 1.00 H +ATOM 1096 HA SER A 72 10.628 14.038 -22.245 1.00 1.00 H +ATOM 1097 HB2 SER A 72 12.146 15.493 -23.519 1.00 1.00 H +ATOM 1098 HB3 SER A 72 10.720 15.127 -24.468 1.00 1.00 H +ATOM 1099 HG SER A 72 11.649 17.518 -24.062 1.00 1.00 H +ATOM 1100 N GLU A 73 10.439 17.128 -21.046 1.00 1.00 N +ATOM 1101 CA GLU A 73 10.789 17.978 -19.920 1.00 1.00 C +ATOM 1102 C GLU A 73 9.670 17.966 -18.878 1.00 1.00 C +ATOM 1103 O GLU A 73 9.675 18.770 -17.947 1.00 1.00 O +ATOM 1104 CB GLU A 73 11.091 19.405 -20.384 1.00 1.00 C +ATOM 1105 CG GLU A 73 10.762 19.581 -21.868 1.00 1.00 C +ATOM 1106 CD GLU A 73 11.217 20.951 -22.372 1.00 1.00 C +ATOM 1107 OE1 GLU A 73 12.348 21.342 -22.010 1.00 1.00 O +ATOM 1108 OE2 GLU A 73 10.424 21.577 -23.109 1.00 1.00 O +ATOM 1109 H GLU A 73 9.890 17.572 -21.756 1.00 1.00 H +ATOM 1110 HA GLU A 73 11.694 17.541 -19.499 1.00 1.00 H +ATOM 1111 HB2 GLU A 73 10.511 20.113 -19.792 1.00 1.00 H +ATOM 1112 HB3 GLU A 73 12.143 19.631 -20.213 1.00 1.00 H +ATOM 1113 HG2 GLU A 73 11.249 18.796 -22.448 1.00 1.00 H +ATOM 1114 HG3 GLU A 73 9.688 19.471 -22.022 1.00 1.00 H +ATOM 1115 N SER A 74 8.737 17.044 -19.067 1.00 1.00 N +ATOM 1116 CA SER A 74 7.614 16.916 -18.154 1.00 1.00 C +ATOM 1117 C SER A 74 7.670 15.563 -17.443 1.00 1.00 C +ATOM 1118 O SER A 74 6.667 14.854 -17.371 1.00 1.00 O +ATOM 1119 CB SER A 74 6.283 17.074 -18.893 1.00 1.00 C +ATOM 1120 OG SER A 74 6.148 16.133 -19.955 1.00 1.00 O +ATOM 1121 H SER A 74 8.741 16.394 -19.826 1.00 1.00 H +ATOM 1122 HA SER A 74 7.730 17.731 -17.439 1.00 1.00 H +ATOM 1123 HB2 SER A 74 5.461 16.947 -18.189 1.00 1.00 H +ATOM 1124 HB3 SER A 74 6.208 18.085 -19.293 1.00 1.00 H +ATOM 1125 HG SER A 74 6.085 15.207 -19.584 1.00 1.00 H +ATOM 1126 N ARG A 75 8.852 15.246 -16.935 1.00 1.00 N +ATOM 1127 CA ARG A 75 9.051 13.991 -16.231 1.00 1.00 C +ATOM 1128 C ARG A 75 8.672 14.143 -14.756 1.00 1.00 C +ATOM 1129 O ARG A 75 8.850 15.211 -14.172 1.00 1.00 O +ATOM 1130 CB ARG A 75 10.506 13.528 -16.330 1.00 1.00 C +ATOM 1131 CG ARG A 75 11.059 13.760 -17.738 1.00 1.00 C +ATOM 1132 CD ARG A 75 12.517 14.221 -17.685 1.00 1.00 C +ATOM 1133 NE ARG A 75 13.420 13.050 -17.719 1.00 1.00 N +ATOM 1134 CZ ARG A 75 14.412 12.840 -16.843 1.00 1.00 C +ATOM 1135 NH1 ARG A 75 14.634 13.721 -15.860 1.00 1.00 N +ATOM 1136 NH2 ARG A 75 15.182 11.749 -16.952 1.00 1.00 N +ATOM 1137 H ARG A 75 9.661 15.829 -16.997 1.00 1.00 H +ATOM 1138 HA ARG A 75 8.393 13.282 -16.733 1.00 1.00 H +ATOM 1139 HB2 ARG A 75 11.113 14.067 -15.603 1.00 1.00 H +ATOM 1140 HB3 ARG A 75 10.571 12.469 -16.080 1.00 1.00 H +ATOM 1141 HG2 ARG A 75 10.987 12.840 -18.318 1.00 1.00 H +ATOM 1142 HG3 ARG A 75 10.455 14.509 -18.251 1.00 1.00 H +ATOM 1143 HD2 ARG A 75 12.729 14.880 -18.526 1.00 1.00 H +ATOM 1144 HD3 ARG A 75 12.691 14.798 -16.777 1.00 1.00 H +ATOM 1145 HE ARG A 75 13.281 12.371 -18.442 1.00 1.00 H +ATOM 1146 HH11 ARG A 75 14.060 14.536 -15.778 1.00 1.00 H +ATOM 1147 HH12 ARG A 75 15.375 13.565 -15.206 1.00 1.00 H +ATOM 1148 HH21 ARG A 75 15.015 11.091 -17.687 1.00 1.00 H +ATOM 1149 HH22 ARG A 75 15.922 11.591 -16.299 1.00 1.00 H +ATOM 1150 N PHE A 76 8.156 13.059 -14.196 1.00 1.00 N +ATOM 1151 CA PHE A 76 7.751 13.058 -12.800 1.00 1.00 C +ATOM 1152 C PHE A 76 8.058 11.713 -12.139 1.00 1.00 C +ATOM 1153 O PHE A 76 7.763 10.660 -12.702 1.00 1.00 O +ATOM 1154 CB PHE A 76 6.238 13.291 -12.774 1.00 1.00 C +ATOM 1155 CG PHE A 76 5.777 14.476 -13.624 1.00 1.00 C +ATOM 1156 CD1 PHE A 76 5.821 15.737 -13.116 1.00 1.00 C +ATOM 1157 CD2 PHE A 76 5.321 14.269 -14.890 1.00 1.00 C +ATOM 1158 CE1 PHE A 76 5.392 16.837 -13.906 1.00 1.00 C +ATOM 1159 CE2 PHE A 76 4.892 15.368 -15.679 1.00 1.00 C +ATOM 1160 CZ PHE A 76 4.936 16.629 -15.171 1.00 1.00 C +ATOM 1161 H PHE A 76 8.013 12.194 -14.677 1.00 1.00 H +ATOM 1162 HA PHE A 76 8.314 13.845 -12.298 1.00 1.00 H +ATOM 1163 HB2 PHE A 76 5.735 12.389 -13.122 1.00 1.00 H +ATOM 1164 HB3 PHE A 76 5.923 13.453 -11.743 1.00 1.00 H +ATOM 1165 HD1 PHE A 76 6.186 15.903 -12.103 1.00 1.00 H +ATOM 1166 HD2 PHE A 76 5.285 13.259 -15.297 1.00 1.00 H +ATOM 1167 HE1 PHE A 76 5.428 17.847 -13.499 1.00 1.00 H +ATOM 1168 HE2 PHE A 76 4.528 15.202 -16.692 1.00 1.00 H +ATOM 1169 HZ PHE A 76 4.607 17.473 -15.776 1.00 1.00 H +ATOM 1170 N ASN A 77 8.648 11.792 -10.956 1.00 1.00 N +ATOM 1171 CA ASN A 77 9.000 10.594 -10.213 1.00 1.00 C +ATOM 1172 C ASN A 77 7.773 10.096 -9.447 1.00 1.00 C +ATOM 1173 O ASN A 77 7.782 8.991 -8.906 1.00 1.00 O +ATOM 1174 CB ASN A 77 10.107 10.880 -9.198 1.00 1.00 C +ATOM 1175 CG ASN A 77 11.247 11.676 -9.838 1.00 1.00 C +ATOM 1176 OD1 ASN A 77 11.064 12.407 -10.797 1.00 1.00 O +ATOM 1177 ND2 ASN A 77 12.428 11.493 -9.256 1.00 1.00 N +ATOM 1178 H ASN A 77 8.885 12.653 -10.506 1.00 1.00 H +ATOM 1179 HA ASN A 77 9.340 9.881 -10.965 1.00 1.00 H +ATOM 1180 HB2 ASN A 77 9.698 11.439 -8.356 1.00 1.00 H +ATOM 1181 HB3 ASN A 77 10.493 9.942 -8.800 1.00 1.00 H +ATOM 1182 HD21 ASN A 77 12.509 10.878 -8.471 1.00 1.00 H +ATOM 1183 HD22 ASN A 77 13.237 11.970 -9.603 1.00 1.00 H +ATOM 1184 N THR A 78 6.747 10.933 -9.426 1.00 1.00 N +ATOM 1185 CA THR A 78 5.515 10.593 -8.735 1.00 1.00 C +ATOM 1186 C THR A 78 4.317 10.751 -9.673 1.00 1.00 C +ATOM 1187 O THR A 78 4.365 11.532 -10.621 1.00 1.00 O +ATOM 1188 CB THR A 78 5.423 11.460 -7.479 1.00 1.00 C +ATOM 1189 OG1 THR A 78 5.588 10.536 -6.407 1.00 1.00 O +ATOM 1190 CG2 THR A 78 4.020 12.032 -7.264 1.00 1.00 C +ATOM 1191 H THR A 78 6.748 11.831 -9.870 1.00 1.00 H +ATOM 1192 HA THR A 78 5.562 9.542 -8.451 1.00 1.00 H +ATOM 1193 HB THR A 78 6.169 12.254 -7.498 1.00 1.00 H +ATOM 1194 HG1 THR A 78 5.432 10.995 -5.532 1.00 1.00 H +ATOM 1195 HG21 THR A 78 3.510 12.113 -8.225 1.00 1.00 H +ATOM 1196 HG22 THR A 78 3.455 11.372 -6.606 1.00 1.00 H +ATOM 1197 HG23 THR A 78 4.095 13.019 -6.809 1.00 1.00 H +ATOM 1198 N LEU A 79 3.269 9.996 -9.375 1.00 1.00 N +ATOM 1199 CA LEU A 79 2.061 10.043 -10.179 1.00 1.00 C +ATOM 1200 C LEU A 79 1.457 11.446 -10.104 1.00 1.00 C +ATOM 1201 O LEU A 79 1.299 12.114 -11.125 1.00 1.00 O +ATOM 1202 CB LEU A 79 1.093 8.934 -9.759 1.00 1.00 C +ATOM 1203 CG LEU A 79 1.297 7.575 -10.430 1.00 1.00 C +ATOM 1204 CD1 LEU A 79 2.610 6.932 -9.979 1.00 1.00 C +ATOM 1205 CD2 LEU A 79 0.097 6.658 -10.187 1.00 1.00 C +ATOM 1206 H LEU A 79 3.239 9.362 -8.602 1.00 1.00 H +ATOM 1207 HA LEU A 79 2.347 9.845 -11.212 1.00 1.00 H +ATOM 1208 HB2 LEU A 79 1.174 8.800 -8.679 1.00 1.00 H +ATOM 1209 HB3 LEU A 79 0.077 9.269 -9.962 1.00 1.00 H +ATOM 1210 HG LEU A 79 1.368 7.733 -11.505 1.00 1.00 H +ATOM 1211 HD11 LEU A 79 3.049 7.524 -9.175 1.00 1.00 H +ATOM 1212 HD12 LEU A 79 2.415 5.921 -9.620 1.00 1.00 H +ATOM 1213 HD13 LEU A 79 3.302 6.892 -10.819 1.00 1.00 H +ATOM 1214 HD21 LEU A 79 -0.273 6.804 -9.172 1.00 1.00 H +ATOM 1215 HD22 LEU A 79 -0.692 6.897 -10.899 1.00 1.00 H +ATOM 1216 HD23 LEU A 79 0.402 5.619 -10.317 1.00 1.00 H +ATOM 1217 N ALA A 80 1.135 11.854 -8.884 1.00 1.00 N +ATOM 1218 CA ALA A 80 0.552 13.167 -8.663 1.00 1.00 C +ATOM 1219 C ALA A 80 1.319 14.204 -9.485 1.00 1.00 C +ATOM 1220 O ALA A 80 0.772 14.790 -10.420 1.00 1.00 O +ATOM 1221 CB ALA A 80 0.564 13.484 -7.166 1.00 1.00 C +ATOM 1222 H ALA A 80 1.266 11.304 -8.059 1.00 1.00 H +ATOM 1223 HA ALA A 80 -0.481 13.134 -9.007 1.00 1.00 H +ATOM 1224 HB1 ALA A 80 1.500 13.138 -6.728 1.00 1.00 H +ATOM 1225 HB2 ALA A 80 0.471 14.560 -7.022 1.00 1.00 H +ATOM 1226 HB3 ALA A 80 -0.272 12.979 -6.682 1.00 1.00 H +ATOM 1227 N GLU A 81 2.573 14.403 -9.108 1.00 1.00 N +ATOM 1228 CA GLU A 81 3.420 15.362 -9.799 1.00 1.00 C +ATOM 1229 C GLU A 81 3.159 15.311 -11.306 1.00 1.00 C +ATOM 1230 O GLU A 81 3.279 16.322 -11.993 1.00 1.00 O +ATOM 1231 CB GLU A 81 4.897 15.110 -9.489 1.00 1.00 C +ATOM 1232 CG GLU A 81 5.446 16.172 -8.534 1.00 1.00 C +ATOM 1233 CD GLU A 81 5.044 15.870 -7.088 1.00 1.00 C +ATOM 1234 OE1 GLU A 81 3.934 15.324 -6.911 1.00 1.00 O +ATOM 1235 OE2 GLU A 81 5.857 16.190 -6.195 1.00 1.00 O +ATOM 1236 H GLU A 81 3.011 13.923 -8.347 1.00 1.00 H +ATOM 1237 HA GLU A 81 3.134 16.336 -9.406 1.00 1.00 H +ATOM 1238 HB2 GLU A 81 5.017 14.121 -9.046 1.00 1.00 H +ATOM 1239 HB3 GLU A 81 5.473 15.116 -10.415 1.00 1.00 H +ATOM 1240 HG2 GLU A 81 6.532 16.211 -8.613 1.00 1.00 H +ATOM 1241 HG3 GLU A 81 5.070 17.154 -8.822 1.00 1.00 H +ATOM 1242 N LEU A 82 2.807 14.122 -11.774 1.00 1.00 N +ATOM 1243 CA LEU A 82 2.527 13.926 -13.186 1.00 1.00 C +ATOM 1244 C LEU A 82 1.215 14.624 -13.543 1.00 1.00 C +ATOM 1245 O LEU A 82 1.211 15.615 -14.271 1.00 1.00 O +ATOM 1246 CB LEU A 82 2.549 12.437 -13.535 1.00 1.00 C +ATOM 1247 CG LEU A 82 2.778 12.097 -15.008 1.00 1.00 C +ATOM 1248 CD1 LEU A 82 3.900 11.068 -15.167 1.00 1.00 C +ATOM 1249 CD2 LEU A 82 1.480 11.633 -15.672 1.00 1.00 C +ATOM 1250 H LEU A 82 2.712 13.304 -11.206 1.00 1.00 H +ATOM 1251 HA LEU A 82 3.335 14.400 -13.747 1.00 1.00 H +ATOM 1252 HB2 LEU A 82 3.331 11.956 -12.947 1.00 1.00 H +ATOM 1253 HB3 LEU A 82 1.601 11.998 -13.224 1.00 1.00 H +ATOM 1254 HG LEU A 82 3.097 13.003 -15.524 1.00 1.00 H +ATOM 1255 HD11 LEU A 82 4.760 11.376 -14.571 1.00 1.00 H +ATOM 1256 HD12 LEU A 82 3.551 10.094 -14.826 1.00 1.00 H +ATOM 1257 HD13 LEU A 82 4.189 11.006 -16.216 1.00 1.00 H +ATOM 1258 HD21 LEU A 82 0.954 10.950 -15.005 1.00 1.00 H +ATOM 1259 HD22 LEU A 82 0.847 12.497 -15.877 1.00 1.00 H +ATOM 1260 HD23 LEU A 82 1.710 11.123 -16.607 1.00 1.00 H +ATOM 1261 N VAL A 83 0.128 14.079 -13.013 1.00 1.00 N +ATOM 1262 CA VAL A 83 -1.189 14.635 -13.267 1.00 1.00 C +ATOM 1263 C VAL A 83 -1.205 16.106 -12.847 1.00 1.00 C +ATOM 1264 O VAL A 83 -1.843 16.934 -13.495 1.00 1.00 O +ATOM 1265 CB VAL A 83 -2.256 13.799 -12.558 1.00 1.00 C +ATOM 1266 CG1 VAL A 83 -3.201 14.689 -11.749 1.00 1.00 C +ATOM 1267 CG2 VAL A 83 -3.033 12.940 -13.559 1.00 1.00 C +ATOM 1268 H VAL A 83 0.140 13.272 -12.422 1.00 1.00 H +ATOM 1269 HA VAL A 83 -1.369 14.575 -14.340 1.00 1.00 H +ATOM 1270 HB VAL A 83 -1.750 13.129 -11.864 1.00 1.00 H +ATOM 1271 HG11 VAL A 83 -3.611 15.466 -12.394 1.00 1.00 H +ATOM 1272 HG12 VAL A 83 -4.015 14.084 -11.348 1.00 1.00 H +ATOM 1273 HG13 VAL A 83 -2.652 15.149 -10.927 1.00 1.00 H +ATOM 1274 HG21 VAL A 83 -3.442 13.576 -14.344 1.00 1.00 H +ATOM 1275 HG22 VAL A 83 -2.363 12.202 -14.001 1.00 1.00 H +ATOM 1276 HG23 VAL A 83 -3.847 12.431 -13.044 1.00 1.00 H +ATOM 1277 N HIS A 84 -0.496 16.387 -11.763 1.00 1.00 N +ATOM 1278 CA HIS A 84 -0.422 17.744 -11.248 1.00 1.00 C +ATOM 1279 C HIS A 84 -0.110 18.711 -12.393 1.00 1.00 C +ATOM 1280 O HIS A 84 -0.828 19.688 -12.598 1.00 1.00 O +ATOM 1281 CB HIS A 84 0.588 17.835 -10.103 1.00 1.00 C +ATOM 1282 CG HIS A 84 -0.031 18.148 -8.762 1.00 1.00 C +ATOM 1283 ND1 HIS A 84 -1.351 17.862 -8.461 1.00 1.00 N +ATOM 1284 CD2 HIS A 84 0.503 18.722 -7.645 1.00 1.00 C +ATOM 1285 CE1 HIS A 84 -1.591 18.253 -7.217 1.00 1.00 C +ATOM 1286 NE2 HIS A 84 -0.440 18.786 -6.714 1.00 1.00 N +ATOM 1287 H HIS A 84 0.019 15.707 -11.241 1.00 1.00 H +ATOM 1288 HA HIS A 84 -1.406 17.978 -10.843 1.00 1.00 H +ATOM 1289 HB2 HIS A 84 1.128 16.891 -10.032 1.00 1.00 H +ATOM 1290 HB3 HIS A 84 1.323 18.604 -10.341 1.00 1.00 H +ATOM 1291 HD1 HIS A 84 -2.013 17.435 -9.076 1.00 1.00 H +ATOM 1292 HD2 HIS A 84 1.531 19.071 -7.538 1.00 1.00 H +ATOM 1293 HE1 HIS A 84 -2.540 18.163 -6.688 1.00 1.00 H +ATOM 1294 N HIS A 85 0.961 18.403 -13.110 1.00 1.00 N +ATOM 1295 CA HIS A 85 1.377 19.231 -14.228 1.00 1.00 C +ATOM 1296 C HIS A 85 0.412 19.034 -15.399 1.00 1.00 C +ATOM 1297 O HIS A 85 0.046 19.995 -16.075 1.00 1.00 O +ATOM 1298 CB HIS A 85 2.832 18.948 -14.603 1.00 1.00 C +ATOM 1299 CG HIS A 85 3.239 19.502 -15.947 1.00 1.00 C +ATOM 1300 ND1 HIS A 85 3.447 20.852 -16.170 1.00 1.00 N +ATOM 1301 CD2 HIS A 85 3.475 18.876 -17.135 1.00 1.00 C +ATOM 1302 CE1 HIS A 85 3.791 21.019 -17.438 1.00 1.00 C +ATOM 1303 NE2 HIS A 85 3.806 19.793 -18.035 1.00 1.00 N +ATOM 1304 H HIS A 85 1.539 17.606 -12.936 1.00 1.00 H +ATOM 1305 HA HIS A 85 1.316 20.266 -13.889 1.00 1.00 H +ATOM 1306 HB2 HIS A 85 3.484 19.367 -13.836 1.00 1.00 H +ATOM 1307 HB3 HIS A 85 2.992 17.870 -14.603 1.00 1.00 H +ATOM 1308 HD1 HIS A 85 3.353 21.579 -15.489 1.00 1.00 H +ATOM 1309 HD2 HIS A 85 3.402 17.804 -17.316 1.00 1.00 H +ATOM 1310 HE1 HIS A 85 4.022 21.970 -17.920 1.00 1.00 H +ATOM 1311 N HIS A 86 0.028 17.784 -15.603 1.00 1.00 N +ATOM 1312 CA HIS A 86 -0.887 17.448 -16.681 1.00 1.00 C +ATOM 1313 C HIS A 86 -2.313 17.832 -16.282 1.00 1.00 C +ATOM 1314 O HIS A 86 -3.271 17.474 -16.966 1.00 1.00 O +ATOM 1315 CB HIS A 86 -0.755 15.972 -17.066 1.00 1.00 C +ATOM 1316 CG HIS A 86 0.521 15.642 -17.803 1.00 1.00 C +ATOM 1317 ND1 HIS A 86 1.268 16.594 -18.471 1.00 1.00 N +ATOM 1318 CD2 HIS A 86 1.170 14.455 -17.971 1.00 1.00 C +ATOM 1319 CE1 HIS A 86 2.320 15.997 -19.013 1.00 1.00 C +ATOM 1320 NE2 HIS A 86 2.257 14.670 -18.702 1.00 1.00 N +ATOM 1321 H HIS A 86 0.330 17.007 -15.049 1.00 1.00 H +ATOM 1322 HA HIS A 86 -0.586 18.043 -17.543 1.00 1.00 H +ATOM 1323 HB2 HIS A 86 -0.807 15.366 -16.161 1.00 1.00 H +ATOM 1324 HB3 HIS A 86 -1.605 15.692 -17.687 1.00 1.00 H +ATOM 1325 HD1 HIS A 86 1.053 17.569 -18.534 1.00 1.00 H +ATOM 1326 HD2 HIS A 86 0.852 13.491 -17.571 1.00 1.00 H +ATOM 1327 HE1 HIS A 86 3.098 16.480 -19.603 1.00 1.00 H +ATOM 1328 N SER A 87 -2.409 18.554 -15.176 1.00 1.00 N +ATOM 1329 CA SER A 87 -3.702 18.991 -14.677 1.00 1.00 C +ATOM 1330 C SER A 87 -4.055 20.360 -15.265 1.00 1.00 C +ATOM 1331 O SER A 87 -5.230 20.699 -15.393 1.00 1.00 O +ATOM 1332 CB SER A 87 -3.712 19.052 -13.148 1.00 1.00 C +ATOM 1333 OG SER A 87 -4.744 18.244 -12.589 1.00 1.00 O +ATOM 1334 H SER A 87 -1.625 18.841 -14.625 1.00 1.00 H +ATOM 1335 HA SER A 87 -4.412 18.236 -15.015 1.00 1.00 H +ATOM 1336 HB2 SER A 87 -2.746 18.721 -12.767 1.00 1.00 H +ATOM 1337 HB3 SER A 87 -3.845 20.085 -12.827 1.00 1.00 H +ATOM 1338 HG SER A 87 -5.636 18.558 -12.913 1.00 1.00 H +ATOM 1339 N THR A 88 -3.016 21.106 -15.606 1.00 1.00 N +ATOM 1340 CA THR A 88 -3.201 22.430 -16.177 1.00 1.00 C +ATOM 1341 C THR A 88 -2.441 22.552 -17.499 1.00 1.00 C +ATOM 1342 O THR A 88 -2.947 23.135 -18.458 1.00 1.00 O +ATOM 1343 CB THR A 88 -2.770 23.460 -15.132 1.00 1.00 C +ATOM 1344 OG1 THR A 88 -1.417 23.114 -14.841 1.00 1.00 O +ATOM 1345 CG2 THR A 88 -3.495 23.280 -13.797 1.00 1.00 C +ATOM 1346 H THR A 88 -2.062 20.822 -15.499 1.00 1.00 H +ATOM 1347 HA THR A 88 -4.259 22.561 -16.403 1.00 1.00 H +ATOM 1348 HB THR A 88 -2.895 24.475 -15.510 1.00 1.00 H +ATOM 1349 HG1 THR A 88 -1.390 22.356 -14.192 1.00 1.00 H +ATOM 1350 HG21 THR A 88 -4.571 23.336 -13.958 1.00 1.00 H +ATOM 1351 HG22 THR A 88 -3.243 22.307 -13.375 1.00 1.00 H +ATOM 1352 HG23 THR A 88 -3.188 24.067 -13.108 1.00 1.00 H +ATOM 1353 N VAL A 89 -1.241 21.990 -17.509 1.00 1.00 N +ATOM 1354 CA VAL A 89 -0.408 22.029 -18.699 1.00 1.00 C +ATOM 1355 C VAL A 89 -0.114 20.599 -19.158 1.00 1.00 C +ATOM 1356 O VAL A 89 0.966 20.070 -18.898 1.00 1.00 O +ATOM 1357 CB VAL A 89 0.860 22.841 -18.424 1.00 1.00 C +ATOM 1358 CG1 VAL A 89 1.787 22.841 -19.641 1.00 1.00 C +ATOM 1359 CG2 VAL A 89 0.515 24.268 -17.996 1.00 1.00 C +ATOM 1360 H VAL A 89 -0.838 21.518 -16.726 1.00 1.00 H +ATOM 1361 HA VAL A 89 -0.971 22.539 -19.481 1.00 1.00 H +ATOM 1362 HB VAL A 89 1.391 22.363 -17.600 1.00 1.00 H +ATOM 1363 HG11 VAL A 89 1.468 22.067 -20.340 1.00 1.00 H +ATOM 1364 HG12 VAL A 89 1.741 23.814 -20.131 1.00 1.00 H +ATOM 1365 HG13 VAL A 89 2.810 22.643 -19.321 1.00 1.00 H +ATOM 1366 HG21 VAL A 89 -0.458 24.543 -18.401 1.00 1.00 H +ATOM 1367 HG22 VAL A 89 0.487 24.325 -16.908 1.00 1.00 H +ATOM 1368 HG23 VAL A 89 1.273 24.954 -18.376 1.00 1.00 H +ATOM 1369 N ALA A 90 -1.095 20.014 -19.830 1.00 1.00 N +ATOM 1370 CA ALA A 90 -0.955 18.657 -20.328 1.00 1.00 C +ATOM 1371 C ALA A 90 0.010 18.649 -21.515 1.00 1.00 C +ATOM 1372 O ALA A 90 -0.418 18.578 -22.666 1.00 1.00 O +ATOM 1373 CB ALA A 90 -2.334 18.102 -20.693 1.00 1.00 C +ATOM 1374 H ALA A 90 -1.969 20.453 -20.037 1.00 1.00 H +ATOM 1375 HA ALA A 90 -0.535 18.051 -19.524 1.00 1.00 H +ATOM 1376 HB1 ALA A 90 -3.078 18.491 -19.997 1.00 1.00 H +ATOM 1377 HB2 ALA A 90 -2.591 18.408 -21.707 1.00 1.00 H +ATOM 1378 HB3 ALA A 90 -2.315 17.014 -20.634 1.00 1.00 H +ATOM 1379 N ASP A 91 1.293 18.722 -21.194 1.00 1.00 N +ATOM 1380 CA ASP A 91 2.323 18.725 -22.220 1.00 1.00 C +ATOM 1381 C ASP A 91 2.487 17.307 -22.775 1.00 1.00 C +ATOM 1382 O ASP A 91 3.313 17.074 -23.656 1.00 1.00 O +ATOM 1383 CB ASP A 91 3.669 19.168 -21.649 1.00 1.00 C +ATOM 1384 CG ASP A 91 4.278 20.405 -22.312 1.00 1.00 C +ATOM 1385 OD1 ASP A 91 3.653 20.897 -23.276 1.00 1.00 O +ATOM 1386 OD2 ASP A 91 5.355 20.830 -21.840 1.00 1.00 O +ATOM 1387 H ASP A 91 1.633 18.779 -20.255 1.00 1.00 H +ATOM 1388 HA ASP A 91 1.973 19.429 -22.975 1.00 1.00 H +ATOM 1389 HB2 ASP A 91 3.546 19.370 -20.584 1.00 1.00 H +ATOM 1390 HB3 ASP A 91 4.375 18.343 -21.736 1.00 1.00 H +ATOM 1391 N GLY A 92 1.689 16.399 -22.234 1.00 1.00 N +ATOM 1392 CA GLY A 92 1.737 15.011 -22.661 1.00 1.00 C +ATOM 1393 C GLY A 92 0.328 14.464 -22.904 1.00 1.00 C +ATOM 1394 O GLY A 92 -0.009 14.077 -24.022 1.00 1.00 O +ATOM 1395 H GLY A 92 1.021 16.597 -21.516 1.00 1.00 H +ATOM 1396 HA2 GLY A 92 2.324 14.930 -23.576 1.00 1.00 H +ATOM 1397 HA3 GLY A 92 2.240 14.410 -21.905 1.00 1.00 H +ATOM 1398 N LEU A 93 -0.455 14.446 -21.835 1.00 1.00 N +ATOM 1399 CA LEU A 93 -1.820 13.952 -21.917 1.00 1.00 C +ATOM 1400 C LEU A 93 -2.655 14.911 -22.768 1.00 1.00 C +ATOM 1401 O LEU A 93 -2.509 16.128 -22.665 1.00 1.00 O +ATOM 1402 CB LEU A 93 -2.390 13.719 -20.518 1.00 1.00 C +ATOM 1403 CG LEU A 93 -1.366 13.615 -19.385 1.00 1.00 C +ATOM 1404 CD1 LEU A 93 -2.051 13.306 -18.053 1.00 1.00 C +ATOM 1405 CD2 LEU A 93 -0.279 12.591 -19.721 1.00 1.00 C +ATOM 1406 H LEU A 93 -0.175 14.762 -20.929 1.00 1.00 H +ATOM 1407 HA LEU A 93 -1.787 12.985 -22.417 1.00 1.00 H +ATOM 1408 HB2 LEU A 93 -3.077 14.532 -20.286 1.00 1.00 H +ATOM 1409 HB3 LEU A 93 -2.977 12.800 -20.535 1.00 1.00 H +ATOM 1410 HG LEU A 93 -0.875 14.582 -19.277 1.00 1.00 H +ATOM 1411 HD11 LEU A 93 -2.964 13.895 -17.969 1.00 1.00 H +ATOM 1412 HD12 LEU A 93 -2.297 12.245 -18.007 1.00 1.00 H +ATOM 1413 HD13 LEU A 93 -1.380 13.559 -17.231 1.00 1.00 H +ATOM 1414 HD21 LEU A 93 -0.683 11.842 -20.400 1.00 1.00 H +ATOM 1415 HD22 LEU A 93 0.562 13.098 -20.195 1.00 1.00 H +ATOM 1416 HD23 LEU A 93 0.059 12.107 -18.805 1.00 1.00 H +ATOM 1417 N ILE A 94 -3.512 14.326 -23.593 1.00 1.00 N +ATOM 1418 CA ILE A 94 -4.371 15.113 -24.462 1.00 1.00 C +ATOM 1419 C ILE A 94 -5.114 16.157 -23.626 1.00 1.00 C +ATOM 1420 O ILE A 94 -4.678 17.302 -23.526 1.00 1.00 O +ATOM 1421 CB ILE A 94 -5.295 14.200 -25.271 1.00 1.00 C +ATOM 1422 CG1 ILE A 94 -6.431 14.999 -25.910 1.00 1.00 C +ATOM 1423 CG2 ILE A 94 -5.816 13.047 -24.411 1.00 1.00 C +ATOM 1424 CD1 ILE A 94 -7.244 14.126 -26.870 1.00 1.00 C +ATOM 1425 H ILE A 94 -3.624 13.335 -23.672 1.00 1.00 H +ATOM 1426 HA ILE A 94 -3.728 15.632 -25.172 1.00 1.00 H +ATOM 1427 HB ILE A 94 -4.714 13.760 -26.083 1.00 1.00 H +ATOM 1428 HG12 ILE A 94 -7.085 15.396 -25.132 1.00 1.00 H +ATOM 1429 HG13 ILE A 94 -6.022 15.854 -26.450 1.00 1.00 H +ATOM 1430 HG21 ILE A 94 -5.502 13.193 -23.378 1.00 1.00 H +ATOM 1431 HG22 ILE A 94 -6.906 13.023 -24.460 1.00 1.00 H +ATOM 1432 HG23 ILE A 94 -5.416 12.104 -24.784 1.00 1.00 H +ATOM 1433 HD11 ILE A 94 -7.524 13.201 -26.368 1.00 1.00 H +ATOM 1434 HD12 ILE A 94 -8.143 14.661 -27.174 1.00 1.00 H +ATOM 1435 HD13 ILE A 94 -6.642 13.896 -27.749 1.00 1.00 H +ATOM 1436 N THR A 95 -6.225 15.723 -23.049 1.00 1.00 N +ATOM 1437 CA THR A 95 -7.034 16.607 -22.226 1.00 1.00 C +ATOM 1438 C THR A 95 -6.420 16.748 -20.832 1.00 1.00 C +ATOM 1439 O THR A 95 -5.499 16.013 -20.479 1.00 1.00 O +ATOM 1440 CB THR A 95 -8.463 16.060 -22.208 1.00 1.00 C +ATOM 1441 OG1 THR A 95 -9.102 16.791 -21.167 1.00 1.00 O +ATOM 1442 CG2 THR A 95 -8.528 14.606 -21.737 1.00 1.00 C +ATOM 1443 H THR A 95 -6.573 14.790 -23.136 1.00 1.00 H +ATOM 1444 HA THR A 95 -7.030 17.598 -22.678 1.00 1.00 H +ATOM 1445 HB THR A 95 -8.935 16.175 -23.184 1.00 1.00 H +ATOM 1446 HG1 THR A 95 -10.059 16.512 -21.088 1.00 1.00 H +ATOM 1447 HG21 THR A 95 -7.557 14.310 -21.337 1.00 1.00 H +ATOM 1448 HG22 THR A 95 -9.287 14.510 -20.960 1.00 1.00 H +ATOM 1449 HG23 THR A 95 -8.785 13.963 -22.578 1.00 1.00 H +ATOM 1450 N THR A 96 -6.956 17.694 -20.077 1.00 1.00 N +ATOM 1451 CA THR A 96 -6.473 17.941 -18.729 1.00 1.00 C +ATOM 1452 C THR A 96 -7.502 17.470 -17.698 1.00 1.00 C +ATOM 1453 O THR A 96 -8.553 18.085 -17.539 1.00 1.00 O +ATOM 1454 CB THR A 96 -6.134 19.428 -18.612 1.00 1.00 C +ATOM 1455 OG1 THR A 96 -7.389 20.050 -18.349 1.00 1.00 O +ATOM 1456 CG2 THR A 96 -5.689 20.034 -19.945 1.00 1.00 C +ATOM 1457 H THR A 96 -7.706 18.287 -20.370 1.00 1.00 H +ATOM 1458 HA THR A 96 -5.570 17.349 -18.574 1.00 1.00 H +ATOM 1459 HB THR A 96 -5.385 19.596 -17.838 1.00 1.00 H +ATOM 1460 HG1 THR A 96 -8.037 19.836 -19.080 1.00 1.00 H +ATOM 1461 HG21 THR A 96 -6.326 19.655 -20.745 1.00 1.00 H +ATOM 1462 HG22 THR A 96 -5.774 21.119 -19.897 1.00 1.00 H +ATOM 1463 HG23 THR A 96 -4.654 19.758 -20.143 1.00 1.00 H +ATOM 1464 N LEU A 97 -7.161 16.380 -17.026 1.00 1.00 N +ATOM 1465 CA LEU A 97 -8.041 15.817 -16.016 1.00 1.00 C +ATOM 1466 C LEU A 97 -8.829 16.947 -15.347 1.00 1.00 C +ATOM 1467 O LEU A 97 -8.297 18.035 -15.130 1.00 1.00 O +ATOM 1468 CB LEU A 97 -7.247 14.955 -15.033 1.00 1.00 C +ATOM 1469 CG LEU A 97 -6.077 15.644 -14.329 1.00 1.00 C +ATOM 1470 CD1 LEU A 97 -5.910 15.123 -12.900 1.00 1.00 C +ATOM 1471 CD2 LEU A 97 -4.789 15.507 -15.143 1.00 1.00 C +ATOM 1472 H LEU A 97 -6.304 15.884 -17.161 1.00 1.00 H +ATOM 1473 HA LEU A 97 -8.745 15.160 -16.525 1.00 1.00 H +ATOM 1474 HB2 LEU A 97 -7.933 14.582 -14.272 1.00 1.00 H +ATOM 1475 HB3 LEU A 97 -6.863 14.088 -15.569 1.00 1.00 H +ATOM 1476 HG LEU A 97 -6.300 16.710 -14.258 1.00 1.00 H +ATOM 1477 HD11 LEU A 97 -6.880 14.806 -12.515 1.00 1.00 H +ATOM 1478 HD12 LEU A 97 -5.226 14.275 -12.901 1.00 1.00 H +ATOM 1479 HD13 LEU A 97 -5.510 15.915 -12.269 1.00 1.00 H +ATOM 1480 HD21 LEU A 97 -4.721 14.496 -15.546 1.00 1.00 H +ATOM 1481 HD22 LEU A 97 -4.799 16.224 -15.964 1.00 1.00 H +ATOM 1482 HD23 LEU A 97 -3.931 15.702 -14.501 1.00 1.00 H +ATOM 1483 N HIS A 98 -10.083 16.649 -15.038 1.00 1.00 N +ATOM 1484 CA HIS A 98 -10.947 17.625 -14.399 1.00 1.00 C +ATOM 1485 C HIS A 98 -11.561 17.017 -13.136 1.00 1.00 C +ATOM 1486 O HIS A 98 -11.474 17.601 -12.057 1.00 1.00 O +ATOM 1487 CB HIS A 98 -12.002 18.142 -15.379 1.00 1.00 C +ATOM 1488 CG HIS A 98 -11.752 17.745 -16.816 1.00 1.00 C +ATOM 1489 ND1 HIS A 98 -10.659 18.192 -17.537 1.00 1.00 N +ATOM 1490 CD2 HIS A 98 -12.464 16.939 -17.654 1.00 1.00 C +ATOM 1491 CE1 HIS A 98 -10.721 17.671 -18.754 1.00 1.00 C +ATOM 1492 NE2 HIS A 98 -11.840 16.895 -18.825 1.00 1.00 N +ATOM 1493 H HIS A 98 -10.506 15.761 -15.218 1.00 1.00 H +ATOM 1494 HA HIS A 98 -10.314 18.467 -14.117 1.00 1.00 H +ATOM 1495 HB2 HIS A 98 -12.979 17.771 -15.076 1.00 1.00 H +ATOM 1496 HB3 HIS A 98 -12.040 19.229 -15.317 1.00 1.00 H +ATOM 1497 HD1 HIS A 98 -9.944 18.802 -17.199 1.00 1.00 H +ATOM 1498 HD2 HIS A 98 -13.387 16.417 -17.403 1.00 1.00 H +ATOM 1499 HE1 HIS A 98 -10.003 17.834 -19.559 1.00 1.00 H +ATOM 1500 N TYR A 99 -12.169 15.853 -13.313 1.00 1.00 N +ATOM 1501 CA TYR A 99 -12.797 15.160 -12.201 1.00 1.00 C +ATOM 1502 C TYR A 99 -12.123 13.809 -11.947 1.00 1.00 C +ATOM 1503 O TYR A 99 -12.199 12.907 -12.778 1.00 1.00 O +ATOM 1504 CB TYR A 99 -14.249 14.922 -12.619 1.00 1.00 C +ATOM 1505 CG TYR A 99 -15.143 16.158 -12.494 1.00 1.00 C +ATOM 1506 CD1 TYR A 99 -15.202 17.073 -13.525 1.00 1.00 C +ATOM 1507 CD2 TYR A 99 -15.890 16.356 -11.352 1.00 1.00 C +ATOM 1508 CE1 TYR A 99 -16.043 18.235 -13.409 1.00 1.00 C +ATOM 1509 CE2 TYR A 99 -16.732 17.519 -11.235 1.00 1.00 C +ATOM 1510 CZ TYR A 99 -16.766 18.401 -12.269 1.00 1.00 C +ATOM 1511 OH TYR A 99 -17.561 19.499 -12.158 1.00 1.00 O +ATOM 1512 H TYR A 99 -12.235 15.385 -14.195 1.00 1.00 H +ATOM 1513 HA TYR A 99 -12.691 15.784 -11.313 1.00 1.00 H +ATOM 1514 HB2 TYR A 99 -14.267 14.575 -13.652 1.00 1.00 H +ATOM 1515 HB3 TYR A 99 -14.666 14.121 -12.007 1.00 1.00 H +ATOM 1516 HD1 TYR A 99 -14.611 16.916 -14.427 1.00 1.00 H +ATOM 1517 HD2 TYR A 99 -15.844 15.631 -10.537 1.00 1.00 H +ATOM 1518 HE1 TYR A 99 -16.099 18.966 -14.215 1.00 1.00 H +ATOM 1519 HE2 TYR A 99 -17.328 17.687 -10.338 1.00 1.00 H +ATOM 1520 HH TYR A 99 -18.338 19.300 -11.559 1.00 1.00 H +ATOM 1521 N PRO A 100 -11.463 13.712 -10.761 1.00 1.00 N +ATOM 1522 CA PRO A 100 -10.777 12.486 -10.386 1.00 1.00 C +ATOM 1523 C PRO A 100 -11.774 11.408 -9.959 1.00 1.00 C +ATOM 1524 O PRO A 100 -12.127 11.315 -8.785 1.00 1.00 O +ATOM 1525 CB PRO A 100 -9.827 12.893 -9.271 1.00 1.00 C +ATOM 1526 CG PRO A 100 -10.345 14.224 -8.747 1.00 1.00 C +ATOM 1527 CD PRO A 100 -11.352 14.760 -9.751 1.00 1.00 C +ATOM 1528 HA PRO A 100 -10.286 12.109 -11.171 1.00 1.00 H +ATOM 1529 HB2 PRO A 100 -9.809 12.142 -8.482 1.00 1.00 H +ATOM 1530 HB3 PRO A 100 -8.806 12.991 -9.642 1.00 1.00 H +ATOM 1531 HG2 PRO A 100 -10.812 14.092 -7.771 1.00 1.00 H +ATOM 1532 HG3 PRO A 100 -9.523 14.927 -8.616 1.00 1.00 H +ATOM 1533 HD2 PRO A 100 -12.314 14.959 -9.279 1.00 1.00 H +ATOM 1534 HD3 PRO A 100 -11.012 15.698 -10.190 1.00 1.00 H +ATOM 1535 N ALA A 101 -12.200 10.621 -10.935 1.00 1.00 N +ATOM 1536 CA ALA A 101 -13.149 9.552 -10.675 1.00 1.00 C +ATOM 1537 C ALA A 101 -12.826 8.905 -9.327 1.00 1.00 C +ATOM 1538 O ALA A 101 -11.939 8.057 -9.239 1.00 1.00 O +ATOM 1539 CB ALA A 101 -13.117 8.547 -11.827 1.00 1.00 C +ATOM 1540 H ALA A 101 -11.908 10.704 -11.888 1.00 1.00 H +ATOM 1541 HA ALA A 101 -14.143 9.997 -10.626 1.00 1.00 H +ATOM 1542 HB1 ALA A 101 -13.344 9.059 -12.763 1.00 1.00 H +ATOM 1543 HB2 ALA A 101 -12.125 8.101 -11.891 1.00 1.00 H +ATOM 1544 HB3 ALA A 101 -13.856 7.767 -11.651 1.00 1.00 H +ATOM 1545 N PRO A 102 -13.582 9.341 -8.284 1.00 1.00 N +ATOM 1546 CA PRO A 102 -13.383 8.813 -6.945 1.00 1.00 C +ATOM 1547 C PRO A 102 -13.963 7.403 -6.820 1.00 1.00 C +ATOM 1548 O PRO A 102 -14.682 6.943 -7.705 1.00 1.00 O +ATOM 1549 CB PRO A 102 -14.058 9.816 -6.023 1.00 1.00 C +ATOM 1550 CG PRO A 102 -15.004 10.619 -6.901 1.00 1.00 C +ATOM 1551 CD PRO A 102 -14.640 10.345 -8.351 1.00 1.00 C +ATOM 1552 HA PRO A 102 -12.407 8.726 -6.747 1.00 1.00 H +ATOM 1553 HB2 PRO A 102 -14.601 9.311 -5.225 1.00 1.00 H +ATOM 1554 HB3 PRO A 102 -13.322 10.465 -5.546 1.00 1.00 H +ATOM 1555 HG2 PRO A 102 -16.037 10.335 -6.706 1.00 1.00 H +ATOM 1556 HG3 PRO A 102 -14.919 11.684 -6.681 1.00 1.00 H +ATOM 1557 HD2 PRO A 102 -15.498 9.977 -8.911 1.00 1.00 H +ATOM 1558 HD3 PRO A 102 -14.296 11.251 -8.852 1.00 1.00 H +ATOM 1559 N LYS A 103 -13.629 6.756 -5.712 1.00 1.00 N +ATOM 1560 CA LYS A 103 -14.108 5.408 -5.461 1.00 1.00 C +ATOM 1561 C LYS A 103 -15.538 5.471 -4.921 1.00 1.00 C +ATOM 1562 O LYS A 103 -15.748 5.467 -3.708 1.00 1.00 O +ATOM 1563 CB LYS A 103 -13.137 4.658 -4.546 1.00 1.00 C +ATOM 1564 CG LYS A 103 -11.710 5.184 -4.709 1.00 1.00 C +ATOM 1565 CD LYS A 103 -11.367 5.387 -6.186 1.00 1.00 C +ATOM 1566 CE LYS A 103 -10.578 6.682 -6.393 1.00 1.00 C +ATOM 1567 NZ LYS A 103 -10.310 6.902 -7.832 1.00 1.00 N +ATOM 1568 H LYS A 103 -13.044 7.138 -4.997 1.00 1.00 H +ATOM 1569 HA LYS A 103 -14.122 4.883 -6.415 1.00 1.00 H +ATOM 1570 HB2 LYS A 103 -13.453 4.766 -3.508 1.00 1.00 H +ATOM 1571 HB3 LYS A 103 -13.165 3.593 -4.776 1.00 1.00 H +ATOM 1572 HG2 LYS A 103 -11.604 6.128 -4.175 1.00 1.00 H +ATOM 1573 HG3 LYS A 103 -11.007 4.483 -4.262 1.00 1.00 H +ATOM 1574 HD2 LYS A 103 -10.785 4.540 -6.547 1.00 1.00 H +ATOM 1575 HD3 LYS A 103 -12.284 5.418 -6.776 1.00 1.00 H +ATOM 1576 HE2 LYS A 103 -11.138 7.525 -5.988 1.00 1.00 H +ATOM 1577 HE3 LYS A 103 -9.637 6.633 -5.845 1.00 1.00 H +ATOM 1578 HZ1 LYS A 103 -9.855 6.096 -8.213 1.00 1.00 H +ATOM 1579 HZ2 LYS A 103 -11.173 7.056 -8.312 1.00 1.00 H +ATOM 1580 HZ3 LYS A 103 -9.719 7.701 -7.942 1.00 1.00 H +ATOM 1581 N ARG A 104 -16.484 5.529 -5.847 1.00 1.00 N +ATOM 1582 CA ARG A 104 -17.888 5.594 -5.479 1.00 1.00 C +ATOM 1583 C ARG A 104 -18.396 4.206 -5.082 1.00 1.00 C +ATOM 1584 O ARG A 104 -18.069 3.212 -5.727 1.00 1.00 O +ATOM 1585 CB ARG A 104 -18.737 6.128 -6.634 1.00 1.00 C +ATOM 1586 CG ARG A 104 -19.352 7.483 -6.282 1.00 1.00 C +ATOM 1587 CD ARG A 104 -18.578 8.625 -6.942 1.00 1.00 C +ATOM 1588 NE ARG A 104 -19.483 9.771 -7.192 1.00 1.00 N +ATOM 1589 CZ ARG A 104 -19.299 10.676 -8.163 1.00 1.00 C +ATOM 1590 NH1 ARG A 104 -18.242 10.574 -8.981 1.00 1.00 N +ATOM 1591 NH2 ARG A 104 -20.169 11.682 -8.316 1.00 1.00 N +ATOM 1592 H ARG A 104 -16.304 5.532 -6.831 1.00 1.00 H +ATOM 1593 HA ARG A 104 -17.924 6.282 -4.635 1.00 1.00 H +ATOM 1594 HB2 ARG A 104 -18.119 6.226 -7.528 1.00 1.00 H +ATOM 1595 HB3 ARG A 104 -19.526 5.415 -6.870 1.00 1.00 H +ATOM 1596 HG2 ARG A 104 -20.393 7.508 -6.605 1.00 1.00 H +ATOM 1597 HG3 ARG A 104 -19.352 7.616 -5.200 1.00 1.00 H +ATOM 1598 HD2 ARG A 104 -17.754 8.936 -6.302 1.00 1.00 H +ATOM 1599 HD3 ARG A 104 -18.142 8.286 -7.882 1.00 1.00 H +ATOM 1600 HE ARG A 104 -20.281 9.877 -6.598 1.00 1.00 H +ATOM 1601 HH11 ARG A 104 -17.593 9.823 -8.868 1.00 1.00 H +ATOM 1602 HH12 ARG A 104 -18.105 11.250 -9.707 1.00 1.00 H +ATOM 1603 HH21 ARG A 104 -20.958 11.758 -7.706 1.00 1.00 H +ATOM 1604 HH22 ARG A 104 -20.032 12.356 -9.041 1.00 1.00 H +ATOM 1605 N GLY A 105 -19.188 4.184 -4.018 1.00 1.00 N +ATOM 1606 CA GLY A 105 -19.746 2.936 -3.527 1.00 1.00 C +ATOM 1607 C GLY A 105 -21.062 2.607 -4.233 1.00 1.00 C +ATOM 1608 O GLY A 105 -21.253 2.962 -5.395 1.00 1.00 O +ATOM 1609 H GLY A 105 -19.449 4.997 -3.499 1.00 1.00 H +ATOM 1610 HA2 GLY A 105 -19.031 2.126 -3.687 1.00 1.00 H +ATOM 1611 HA3 GLY A 105 -19.912 3.005 -2.453 1.00 1.00 H +ATOM 1612 N ILE A 106 -21.936 1.932 -3.501 1.00 1.00 N +ATOM 1613 CA ILE A 106 -23.230 1.551 -4.043 1.00 1.00 C +ATOM 1614 C ILE A 106 -24.318 1.841 -3.007 1.00 1.00 C +ATOM 1615 O ILE A 106 -25.162 2.712 -3.213 1.00 1.00 O +ATOM 1616 CB ILE A 106 -23.206 0.098 -4.518 1.00 1.00 C +ATOM 1617 CG1 ILE A 106 -24.601 -0.366 -4.940 1.00 1.00 C +ATOM 1618 CG2 ILE A 106 -22.597 -0.817 -3.453 1.00 1.00 C +ATOM 1619 CD1 ILE A 106 -24.965 0.178 -6.323 1.00 1.00 C +ATOM 1620 H ILE A 106 -21.774 1.646 -2.557 1.00 1.00 H +ATOM 1621 HA ILE A 106 -23.413 2.174 -4.919 1.00 1.00 H +ATOM 1622 HB ILE A 106 -22.566 0.036 -5.398 1.00 1.00 H +ATOM 1623 HG12 ILE A 106 -24.638 -1.455 -4.952 1.00 1.00 H +ATOM 1624 HG13 ILE A 106 -25.336 -0.030 -4.209 1.00 1.00 H +ATOM 1625 HG21 ILE A 106 -21.901 -0.246 -2.839 1.00 1.00 H +ATOM 1626 HG22 ILE A 106 -23.390 -1.221 -2.823 1.00 1.00 H +ATOM 1627 HG23 ILE A 106 -22.065 -1.636 -3.937 1.00 1.00 H +ATOM 1628 HD11 ILE A 106 -24.392 1.084 -6.518 1.00 1.00 H +ATOM 1629 HD12 ILE A 106 -24.730 -0.570 -7.081 1.00 1.00 H +ATOM 1630 HD13 ILE A 106 -26.029 0.406 -6.357 1.00 1.00 H +ATOM 1631 N HIS A 107 -24.262 1.096 -1.913 1.00 1.00 N +ATOM 1632 CA HIS A 107 -25.233 1.262 -0.844 1.00 1.00 C +ATOM 1633 C HIS A 107 -25.230 0.018 0.048 1.00 1.00 C +ATOM 1634 O HIS A 107 -25.371 0.124 1.267 1.00 1.00 O +ATOM 1635 CB HIS A 107 -26.617 1.581 -1.412 1.00 1.00 C +ATOM 1636 CG HIS A 107 -26.991 0.756 -2.619 1.00 1.00 C +ATOM 1637 ND1 HIS A 107 -27.039 -0.627 -2.598 1.00 1.00 N +ATOM 1638 CD2 HIS A 107 -27.336 1.133 -3.885 1.00 1.00 C +ATOM 1639 CE1 HIS A 107 -27.396 -1.052 -3.800 1.00 1.00 C +ATOM 1640 NE2 HIS A 107 -27.580 0.041 -4.597 1.00 1.00 N +ATOM 1641 H HIS A 107 -23.573 0.388 -1.753 1.00 1.00 H +ATOM 1642 HA HIS A 107 -24.907 2.120 -0.258 1.00 1.00 H +ATOM 1643 HB2 HIS A 107 -27.363 1.425 -0.632 1.00 1.00 H +ATOM 1644 HB3 HIS A 107 -26.653 2.637 -1.680 1.00 1.00 H +ATOM 1645 HD1 HIS A 107 -26.838 -1.206 -1.807 1.00 1.00 H +ATOM 1646 HD2 HIS A 107 -27.399 2.159 -4.248 1.00 1.00 H +ATOM 1647 HE1 HIS A 107 -27.523 -2.092 -4.101 1.00 1.00 H +ATOM 1648 N ARG A 108 -25.070 -1.130 -0.592 1.00 1.00 N +ATOM 1649 CA ARG A 108 -25.047 -2.392 0.129 1.00 1.00 C +ATOM 1650 C ARG A 108 -24.295 -2.234 1.453 1.00 1.00 C +ATOM 1651 O ARG A 108 -23.094 -1.967 1.460 1.00 1.00 O +ATOM 1652 CB ARG A 108 -24.378 -3.488 -0.701 1.00 1.00 C +ATOM 1653 CG ARG A 108 -25.424 -4.396 -1.354 1.00 1.00 C +ATOM 1654 CD ARG A 108 -26.005 -3.745 -2.610 1.00 1.00 C +ATOM 1655 NE ARG A 108 -27.484 -3.815 -2.579 1.00 1.00 N +ATOM 1656 CZ ARG A 108 -28.220 -4.558 -3.418 1.00 1.00 C +ATOM 1657 NH1 ARG A 108 -27.619 -5.299 -4.359 1.00 1.00 N +ATOM 1658 NH2 ARG A 108 -29.555 -4.559 -3.315 1.00 1.00 N +ATOM 1659 H ARG A 108 -24.955 -1.207 -1.582 1.00 1.00 H +ATOM 1660 HA ARG A 108 -26.095 -2.633 0.302 1.00 1.00 H +ATOM 1661 HB2 ARG A 108 -23.753 -3.037 -1.471 1.00 1.00 H +ATOM 1662 HB3 ARG A 108 -23.722 -4.083 -0.065 1.00 1.00 H +ATOM 1663 HG2 ARG A 108 -24.971 -5.352 -1.611 1.00 1.00 H +ATOM 1664 HG3 ARG A 108 -26.225 -4.604 -0.643 1.00 1.00 H +ATOM 1665 HD2 ARG A 108 -25.683 -2.707 -2.675 1.00 1.00 H +ATOM 1666 HD3 ARG A 108 -25.629 -4.253 -3.499 1.00 1.00 H +ATOM 1667 HE ARG A 108 -27.964 -3.274 -1.888 1.00 1.00 H +ATOM 1668 HH11 ARG A 108 -26.622 -5.298 -4.435 1.00 1.00 H +ATOM 1669 HH12 ARG A 108 -28.167 -5.853 -4.985 1.00 1.00 H +ATOM 1670 HH21 ARG A 108 -30.004 -4.007 -2.613 1.00 1.00 H +ATOM 1671 HH22 ARG A 108 -30.105 -5.114 -3.940 1.00 1.00 H +ATOM 1672 N ASP A 109 -25.032 -2.405 2.540 1.00 1.00 N +ATOM 1673 CA ASP A 109 -24.449 -2.284 3.866 1.00 1.00 C +ATOM 1674 C ASP A 109 -25.535 -2.515 4.917 1.00 1.00 C +ATOM 1675 O ASP A 109 -25.194 -3.106 5.965 1.00 1.00 O +ATOM 1676 CB ASP A 109 -23.866 -0.887 4.086 1.00 1.00 C +ATOM 1677 CG ASP A 109 -24.880 0.178 4.508 1.00 1.00 C +ATOM 1678 OD1 ASP A 109 -25.504 0.837 3.662 1.00 1.00 O +ATOM 1679 OD2 ASP A 109 -25.022 0.322 5.784 1.00 1.00 O +ATOM 1680 OXT ASP A 109 -26.687 -2.128 4.722 1.00 1.00 O +ATOM 1681 H ASP A 109 -26.007 -2.620 2.525 1.00 1.00 H +ATOM 1682 HA ASP A 109 -23.664 -3.040 3.903 1.00 1.00 H +ATOM 1683 HB2 ASP A 109 -23.090 -0.950 4.848 1.00 1.00 H +ATOM 1684 HB3 ASP A 109 -23.383 -0.561 3.165 1.00 1.00 H +TER 1685 ASP A 109 +ENDMDL +MODEL 5 +ATOM 1 N GLY A 1 2.870 -4.218 -8.356 1.00 1.00 N +ATOM 2 CA GLY A 1 2.059 -3.572 -7.339 1.00 1.00 C +ATOM 3 C GLY A 1 2.584 -2.170 -7.026 1.00 1.00 C +ATOM 4 O GLY A 1 2.440 -1.255 -7.835 1.00 1.00 O +ATOM 5 H1 GLY A 1 3.009 -3.581 -9.133 1.00 1.00 H +ATOM 6 H2 GLY A 1 3.770 -4.470 -7.961 1.00 1.00 H +ATOM 7 H3 GLY A 1 2.399 -5.053 -8.685 1.00 1.00 H +ATOM 8 HA2 GLY A 1 1.025 -3.509 -7.678 1.00 1.00 H +ATOM 9 HA3 GLY A 1 2.059 -4.176 -6.430 1.00 1.00 H +ATOM 10 N SER A 2 3.182 -2.044 -5.850 1.00 1.00 N +ATOM 11 CA SER A 2 3.730 -0.770 -5.421 1.00 1.00 C +ATOM 12 C SER A 2 2.607 0.262 -5.281 1.00 1.00 C +ATOM 13 O SER A 2 1.691 0.302 -6.100 1.00 1.00 O +ATOM 14 CB SER A 2 4.792 -0.268 -6.401 1.00 1.00 C +ATOM 15 OG SER A 2 4.219 0.462 -7.482 1.00 1.00 O +ATOM 16 H SER A 2 3.293 -2.794 -5.197 1.00 1.00 H +ATOM 17 HA SER A 2 4.191 -0.964 -4.453 1.00 1.00 H +ATOM 18 HB2 SER A 2 5.502 0.366 -5.871 1.00 1.00 H +ATOM 19 HB3 SER A 2 5.352 -1.116 -6.794 1.00 1.00 H +ATOM 20 HG SER A 2 3.411 -0.014 -7.826 1.00 1.00 H +ATOM 21 N GLY A 3 2.717 1.071 -4.238 1.00 1.00 N +ATOM 22 CA GLY A 3 1.722 2.099 -3.980 1.00 1.00 C +ATOM 23 C GLY A 3 0.313 1.586 -4.280 1.00 1.00 C +ATOM 24 O GLY A 3 -0.153 0.636 -3.652 1.00 1.00 O +ATOM 25 H GLY A 3 3.466 1.032 -3.576 1.00 1.00 H +ATOM 26 HA2 GLY A 3 1.784 2.417 -2.940 1.00 1.00 H +ATOM 27 HA3 GLY A 3 1.933 2.975 -4.596 1.00 1.00 H +ATOM 28 N ASN A 4 -0.328 2.237 -5.239 1.00 1.00 N +ATOM 29 CA ASN A 4 -1.676 1.857 -5.629 1.00 1.00 C +ATOM 30 C ASN A 4 -2.640 2.162 -4.480 1.00 1.00 C +ATOM 31 O ASN A 4 -3.483 3.049 -4.592 1.00 1.00 O +ATOM 32 CB ASN A 4 -1.761 0.361 -5.935 1.00 1.00 C +ATOM 33 CG ASN A 4 -0.731 -0.042 -6.992 1.00 1.00 C +ATOM 34 OD1 ASN A 4 -0.337 0.739 -7.842 1.00 1.00 O +ATOM 35 ND2 ASN A 4 -0.317 -1.302 -6.891 1.00 1.00 N +ATOM 36 H ASN A 4 0.057 3.008 -5.745 1.00 1.00 H +ATOM 37 HA ASN A 4 -1.892 2.446 -6.521 1.00 1.00 H +ATOM 38 HB2 ASN A 4 -1.593 -0.210 -5.021 1.00 1.00 H +ATOM 39 HB3 ASN A 4 -2.762 0.115 -6.285 1.00 1.00 H +ATOM 40 HD21 ASN A 4 -0.680 -1.891 -6.168 1.00 1.00 H +ATOM 41 HD22 ASN A 4 0.357 -1.661 -7.537 1.00 1.00 H +ATOM 42 N SER A 5 -2.481 1.408 -3.402 1.00 1.00 N +ATOM 43 CA SER A 5 -3.324 1.585 -2.234 1.00 1.00 C +ATOM 44 C SER A 5 -3.427 3.071 -1.882 1.00 1.00 C +ATOM 45 O SER A 5 -2.670 3.890 -2.403 1.00 1.00 O +ATOM 46 CB SER A 5 -2.789 0.793 -1.040 1.00 1.00 C +ATOM 47 OG SER A 5 -2.743 -0.606 -1.306 1.00 1.00 O +ATOM 48 H SER A 5 -1.790 0.689 -3.319 1.00 1.00 H +ATOM 49 HA SER A 5 -4.300 1.193 -2.521 1.00 1.00 H +ATOM 50 HB2 SER A 5 -1.789 1.148 -0.789 1.00 1.00 H +ATOM 51 HB3 SER A 5 -3.419 0.977 -0.170 1.00 1.00 H +ATOM 52 HG SER A 5 -2.159 -0.785 -2.098 1.00 1.00 H +ATOM 53 N LEU A 6 -4.366 3.374 -1.000 1.00 1.00 N +ATOM 54 CA LEU A 6 -4.576 4.748 -0.571 1.00 1.00 C +ATOM 55 C LEU A 6 -5.553 5.432 -1.530 1.00 1.00 C +ATOM 56 O LEU A 6 -5.223 5.675 -2.689 1.00 1.00 O +ATOM 57 CB LEU A 6 -3.238 5.476 -0.433 1.00 1.00 C +ATOM 58 CG LEU A 6 -3.103 6.405 0.775 1.00 1.00 C +ATOM 59 CD1 LEU A 6 -2.986 5.602 2.073 1.00 1.00 C +ATOM 60 CD2 LEU A 6 -1.933 7.374 0.593 1.00 1.00 C +ATOM 61 H LEU A 6 -4.977 2.703 -0.579 1.00 1.00 H +ATOM 62 HA LEU A 6 -5.031 4.716 0.419 1.00 1.00 H +ATOM 63 HB2 LEU A 6 -2.445 4.730 -0.384 1.00 1.00 H +ATOM 64 HB3 LEU A 6 -3.070 6.061 -1.337 1.00 1.00 H +ATOM 65 HG LEU A 6 -4.010 7.006 0.849 1.00 1.00 H +ATOM 66 HD11 LEU A 6 -2.963 4.538 1.842 1.00 1.00 H +ATOM 67 HD12 LEU A 6 -2.068 5.881 2.591 1.00 1.00 H +ATOM 68 HD13 LEU A 6 -3.843 5.818 2.711 1.00 1.00 H +ATOM 69 HD21 LEU A 6 -1.829 7.624 -0.463 1.00 1.00 H +ATOM 70 HD22 LEU A 6 -2.121 8.282 1.165 1.00 1.00 H +ATOM 71 HD23 LEU A 6 -1.014 6.905 0.946 1.00 1.00 H +ATOM 72 N GLU A 7 -6.736 5.725 -1.011 1.00 1.00 N +ATOM 73 CA GLU A 7 -7.763 6.377 -1.806 1.00 1.00 C +ATOM 74 C GLU A 7 -7.438 7.861 -1.977 1.00 1.00 C +ATOM 75 O GLU A 7 -8.226 8.722 -1.587 1.00 1.00 O +ATOM 76 CB GLU A 7 -9.145 6.186 -1.178 1.00 1.00 C +ATOM 77 CG GLU A 7 -9.846 4.957 -1.760 1.00 1.00 C +ATOM 78 CD GLU A 7 -11.318 4.917 -1.342 1.00 1.00 C +ATOM 79 OE1 GLU A 7 -11.621 4.881 -0.139 1.00 1.00 O +ATOM 80 OE2 GLU A 7 -12.161 4.924 -2.317 1.00 1.00 O +ATOM 81 H GLU A 7 -6.997 5.523 -0.067 1.00 1.00 H +ATOM 82 HA GLU A 7 -7.739 5.878 -2.775 1.00 1.00 H +ATOM 83 HB2 GLU A 7 -9.047 6.077 -0.099 1.00 1.00 H +ATOM 84 HB3 GLU A 7 -9.753 7.072 -1.355 1.00 1.00 H +ATOM 85 HG2 GLU A 7 -9.774 4.972 -2.847 1.00 1.00 H +ATOM 86 HG3 GLU A 7 -9.343 4.052 -1.420 1.00 1.00 H +ATOM 87 N LYS A 8 -6.277 8.117 -2.562 1.00 1.00 N +ATOM 88 CA LYS A 8 -5.839 9.482 -2.791 1.00 1.00 C +ATOM 89 C LYS A 8 -6.837 10.188 -3.711 1.00 1.00 C +ATOM 90 O LYS A 8 -8.006 10.341 -3.361 1.00 1.00 O +ATOM 91 CB LYS A 8 -4.400 9.505 -3.313 1.00 1.00 C +ATOM 92 CG LYS A 8 -3.627 10.694 -2.741 1.00 1.00 C +ATOM 93 CD LYS A 8 -3.083 11.582 -3.861 1.00 1.00 C +ATOM 94 CE LYS A 8 -1.614 11.937 -3.616 1.00 1.00 C +ATOM 95 NZ LYS A 8 -1.434 13.405 -3.579 1.00 1.00 N +ATOM 96 H LYS A 8 -5.642 7.410 -2.877 1.00 1.00 H +ATOM 97 HA LYS A 8 -5.839 9.991 -1.826 1.00 1.00 H +ATOM 98 HB2 LYS A 8 -3.897 8.576 -3.042 1.00 1.00 H +ATOM 99 HB3 LYS A 8 -4.405 9.557 -4.401 1.00 1.00 H +ATOM 100 HG2 LYS A 8 -4.280 11.279 -2.092 1.00 1.00 H +ATOM 101 HG3 LYS A 8 -2.804 10.335 -2.124 1.00 1.00 H +ATOM 102 HD2 LYS A 8 -3.180 11.070 -4.818 1.00 1.00 H +ATOM 103 HD3 LYS A 8 -3.675 12.496 -3.926 1.00 1.00 H +ATOM 104 HE2 LYS A 8 -1.282 11.499 -2.673 1.00 1.00 H +ATOM 105 HE3 LYS A 8 -0.994 11.508 -4.403 1.00 1.00 H +ATOM 106 HZ1 LYS A 8 -2.113 13.812 -2.951 1.00 1.00 H +ATOM 107 HZ2 LYS A 8 -0.510 13.667 -3.256 1.00 1.00 H +ATOM 108 HZ3 LYS A 8 -1.564 13.784 -4.506 1.00 1.00 H +ATOM 109 N HIS A 9 -6.339 10.597 -4.868 1.00 1.00 N +ATOM 110 CA HIS A 9 -7.173 11.281 -5.841 1.00 1.00 C +ATOM 111 C HIS A 9 -8.211 10.308 -6.404 1.00 1.00 C +ATOM 112 O HIS A 9 -8.215 9.128 -6.052 1.00 1.00 O +ATOM 113 CB HIS A 9 -6.317 11.930 -6.931 1.00 1.00 C +ATOM 114 CG HIS A 9 -5.515 13.117 -6.456 1.00 1.00 C +ATOM 115 ND1 HIS A 9 -5.381 13.445 -5.119 1.00 1.00 N +ATOM 116 CD2 HIS A 9 -4.807 14.051 -7.154 1.00 1.00 C +ATOM 117 CE1 HIS A 9 -4.625 14.530 -5.027 1.00 1.00 C +ATOM 118 NE2 HIS A 9 -4.271 14.904 -6.289 1.00 1.00 N +ATOM 119 H HIS A 9 -5.387 10.467 -5.144 1.00 1.00 H +ATOM 120 HA HIS A 9 -7.688 12.078 -5.306 1.00 1.00 H +ATOM 121 HB2 HIS A 9 -5.635 11.183 -7.335 1.00 1.00 H +ATOM 122 HB3 HIS A 9 -6.965 12.244 -7.749 1.00 1.00 H +ATOM 123 HD1 HIS A 9 -5.787 12.948 -4.351 1.00 1.00 H +ATOM 124 HD2 HIS A 9 -4.700 14.090 -8.238 1.00 1.00 H +ATOM 125 HE1 HIS A 9 -4.336 15.034 -4.105 1.00 1.00 H +ATOM 126 N SER A 10 -9.065 10.836 -7.268 1.00 1.00 N +ATOM 127 CA SER A 10 -10.104 10.028 -7.883 1.00 1.00 C +ATOM 128 C SER A 10 -9.502 9.145 -8.977 1.00 1.00 C +ATOM 129 O SER A 10 -10.219 8.398 -9.641 1.00 1.00 O +ATOM 130 CB SER A 10 -11.215 10.907 -8.461 1.00 1.00 C +ATOM 131 OG SER A 10 -12.375 10.916 -7.634 1.00 1.00 O +ATOM 132 H SER A 10 -9.053 11.796 -7.548 1.00 1.00 H +ATOM 133 HA SER A 10 -10.510 9.416 -7.076 1.00 1.00 H +ATOM 134 HB2 SER A 10 -10.847 11.927 -8.578 1.00 1.00 H +ATOM 135 HB3 SER A 10 -11.481 10.547 -9.455 1.00 1.00 H +ATOM 136 HG SER A 10 -13.101 11.448 -8.068 1.00 1.00 H +ATOM 137 N TRP A 11 -8.191 9.259 -9.131 1.00 1.00 N +ATOM 138 CA TRP A 11 -7.486 8.480 -10.133 1.00 1.00 C +ATOM 139 C TRP A 11 -6.473 7.587 -9.411 1.00 1.00 C +ATOM 140 O TRP A 11 -5.771 6.800 -10.045 1.00 1.00 O +ATOM 141 CB TRP A 11 -6.840 9.389 -11.180 1.00 1.00 C +ATOM 142 CG TRP A 11 -6.060 10.564 -10.589 1.00 1.00 C +ATOM 143 CD1 TRP A 11 -6.359 11.870 -10.656 1.00 1.00 C +ATOM 144 CD2 TRP A 11 -4.834 10.489 -9.833 1.00 1.00 C +ATOM 145 NE1 TRP A 11 -5.417 12.638 -10.001 1.00 1.00 N +ATOM 146 CE2 TRP A 11 -4.460 11.771 -9.485 1.00 1.00 C +ATOM 147 CE3 TRP A 11 -4.065 9.375 -9.455 1.00 1.00 C +ATOM 148 CZ2 TRP A 11 -3.309 12.059 -8.742 1.00 1.00 C +ATOM 149 CZ3 TRP A 11 -2.917 9.679 -8.714 1.00 1.00 C +ATOM 150 CH2 TRP A 11 -2.527 10.964 -8.356 1.00 1.00 C +ATOM 151 H TRP A 11 -7.615 9.868 -8.586 1.00 1.00 H +ATOM 152 HA TRP A 11 -8.218 7.865 -10.654 1.00 1.00 H +ATOM 153 HB2 TRP A 11 -6.168 8.794 -11.799 1.00 1.00 H +ATOM 154 HB3 TRP A 11 -7.619 9.776 -11.838 1.00 1.00 H +ATOM 155 HD1 TRP A 11 -7.233 12.273 -11.164 1.00 1.00 H +ATOM 156 HE1 TRP A 11 -5.423 13.724 -9.906 1.00 1.00 H +ATOM 157 HE3 TRP A 11 -4.337 8.352 -9.718 1.00 1.00 H +ATOM 158 HZ2 TRP A 11 -3.035 13.081 -8.480 1.00 1.00 H +ATOM 159 HZ3 TRP A 11 -2.284 8.850 -8.396 1.00 1.00 H +ATOM 160 HH2 TRP A 11 -1.617 11.118 -7.775 1.00 1.00 H +ATOM 161 N TYR A 12 -6.428 7.741 -8.096 1.00 1.00 N +ATOM 162 CA TYR A 12 -5.514 6.960 -7.281 1.00 1.00 C +ATOM 163 C TYR A 12 -6.272 6.151 -6.226 1.00 1.00 C +ATOM 164 O TYR A 12 -6.279 6.511 -5.050 1.00 1.00 O +ATOM 165 CB TYR A 12 -4.607 7.972 -6.576 1.00 1.00 C +ATOM 166 CG TYR A 12 -3.234 7.416 -6.192 1.00 1.00 C +ATOM 167 CD1 TYR A 12 -2.920 6.101 -6.472 1.00 1.00 C +ATOM 168 CD2 TYR A 12 -2.311 8.229 -5.567 1.00 1.00 C +ATOM 169 CE1 TYR A 12 -1.628 5.578 -6.110 1.00 1.00 C +ATOM 170 CE2 TYR A 12 -1.019 7.705 -5.205 1.00 1.00 C +ATOM 171 CZ TYR A 12 -0.741 6.406 -5.495 1.00 1.00 C +ATOM 172 OH TYR A 12 0.479 5.911 -5.152 1.00 1.00 O +ATOM 173 H TYR A 12 -7.003 8.383 -7.589 1.00 1.00 H +ATOM 174 HA TYR A 12 -4.979 6.274 -7.939 1.00 1.00 H +ATOM 175 HB2 TYR A 12 -4.469 8.836 -7.227 1.00 1.00 H +ATOM 176 HB3 TYR A 12 -5.109 8.327 -5.677 1.00 1.00 H +ATOM 177 HD1 TYR A 12 -3.649 5.459 -6.966 1.00 1.00 H +ATOM 178 HD2 TYR A 12 -2.560 9.266 -5.346 1.00 1.00 H +ATOM 179 HE1 TYR A 12 -1.367 4.542 -6.325 1.00 1.00 H +ATOM 180 HE2 TYR A 12 -0.281 8.335 -4.710 1.00 1.00 H +ATOM 181 HH TYR A 12 0.978 6.582 -4.603 1.00 1.00 H +ATOM 182 N HIS A 13 -6.891 5.074 -6.686 1.00 1.00 N +ATOM 183 CA HIS A 13 -7.652 4.211 -5.798 1.00 1.00 C +ATOM 184 C HIS A 13 -6.855 2.937 -5.514 1.00 1.00 C +ATOM 185 O HIS A 13 -6.678 2.553 -4.360 1.00 1.00 O +ATOM 186 CB HIS A 13 -9.039 3.927 -6.372 1.00 1.00 C +ATOM 187 CG HIS A 13 -9.331 4.655 -7.663 1.00 1.00 C +ATOM 188 ND1 HIS A 13 -10.131 4.121 -8.660 1.00 1.00 N +ATOM 189 CD2 HIS A 13 -8.922 5.877 -8.109 1.00 1.00 C +ATOM 190 CE1 HIS A 13 -10.194 4.993 -9.655 1.00 1.00 C +ATOM 191 NE2 HIS A 13 -9.444 6.080 -9.313 1.00 1.00 N +ATOM 192 H HIS A 13 -6.881 4.788 -7.645 1.00 1.00 H +ATOM 193 HA HIS A 13 -7.783 4.761 -4.865 1.00 1.00 H +ATOM 194 HB2 HIS A 13 -9.140 2.855 -6.540 1.00 1.00 H +ATOM 195 HB3 HIS A 13 -9.792 4.205 -5.633 1.00 1.00 H +ATOM 196 HD1 HIS A 13 -10.585 3.233 -8.631 1.00 1.00 H +ATOM 197 HD2 HIS A 13 -8.277 6.570 -7.567 1.00 1.00 H +ATOM 198 HE1 HIS A 13 -10.746 4.864 -10.585 1.00 1.00 H +ATOM 199 N GLY A 14 -6.395 2.314 -6.590 1.00 1.00 N +ATOM 200 CA GLY A 14 -5.620 1.090 -6.472 1.00 1.00 C +ATOM 201 C GLY A 14 -5.493 0.389 -7.827 1.00 1.00 C +ATOM 202 O GLY A 14 -5.616 1.024 -8.873 1.00 1.00 O +ATOM 203 H GLY A 14 -6.542 2.631 -7.527 1.00 1.00 H +ATOM 204 HA2 GLY A 14 -4.628 1.318 -6.084 1.00 1.00 H +ATOM 205 HA3 GLY A 14 -6.097 0.421 -5.756 1.00 1.00 H +ATOM 206 N PRO A 15 -5.246 -0.946 -7.762 1.00 1.00 N +ATOM 207 CA PRO A 15 -5.101 -1.742 -8.970 1.00 1.00 C +ATOM 208 C PRO A 15 -6.461 -1.991 -9.628 1.00 1.00 C +ATOM 209 O PRO A 15 -7.265 -2.771 -9.119 1.00 1.00 O +ATOM 210 CB PRO A 15 -4.415 -3.020 -8.520 1.00 1.00 C +ATOM 211 CG PRO A 15 -4.618 -3.096 -7.016 1.00 1.00 C +ATOM 212 CD PRO A 15 -5.095 -1.734 -6.540 1.00 1.00 C +ATOM 213 HA PRO A 15 -4.557 -1.246 -9.647 1.00 1.00 H +ATOM 214 HB2 PRO A 15 -4.846 -3.890 -9.017 1.00 1.00 H +ATOM 215 HB3 PRO A 15 -3.354 -3.003 -8.770 1.00 1.00 H +ATOM 216 HG2 PRO A 15 -5.351 -3.864 -6.768 1.00 1.00 H +ATOM 217 HG3 PRO A 15 -3.688 -3.370 -6.518 1.00 1.00 H +ATOM 218 HD2 PRO A 15 -6.039 -1.810 -6.001 1.00 1.00 H +ATOM 219 HD3 PRO A 15 -4.376 -1.277 -5.861 1.00 1.00 H +ATOM 220 N VAL A 16 -6.674 -1.314 -10.745 1.00 1.00 N +ATOM 221 CA VAL A 16 -7.921 -1.452 -11.478 1.00 1.00 C +ATOM 222 C VAL A 16 -7.619 -1.838 -12.927 1.00 1.00 C +ATOM 223 O VAL A 16 -6.728 -1.262 -13.553 1.00 1.00 O +ATOM 224 CB VAL A 16 -8.743 -0.166 -11.361 1.00 1.00 C +ATOM 225 CG1 VAL A 16 -8.062 0.988 -12.098 1.00 1.00 C +ATOM 226 CG2 VAL A 16 -10.169 -0.378 -11.871 1.00 1.00 C +ATOM 227 H VAL A 16 -6.014 -0.681 -11.151 1.00 1.00 H +ATOM 228 HA VAL A 16 -8.489 -2.258 -11.011 1.00 1.00 H +ATOM 229 HB VAL A 16 -8.800 0.099 -10.305 1.00 1.00 H +ATOM 230 HG11 VAL A 16 -7.118 0.643 -12.521 1.00 1.00 H +ATOM 231 HG12 VAL A 16 -8.712 1.340 -12.900 1.00 1.00 H +ATOM 232 HG13 VAL A 16 -7.871 1.804 -11.401 1.00 1.00 H +ATOM 233 HG21 VAL A 16 -10.561 -1.317 -11.478 1.00 1.00 H +ATOM 234 HG22 VAL A 16 -10.800 0.446 -11.540 1.00 1.00 H +ATOM 235 HG23 VAL A 16 -10.164 -0.417 -12.961 1.00 1.00 H +ATOM 236 N SER A 17 -8.374 -2.808 -13.418 1.00 1.00 N +ATOM 237 CA SER A 17 -8.196 -3.277 -14.783 1.00 1.00 C +ATOM 238 C SER A 17 -8.839 -2.293 -15.762 1.00 1.00 C +ATOM 239 O SER A 17 -9.848 -1.665 -15.443 1.00 1.00 O +ATOM 240 CB SER A 17 -8.793 -4.675 -14.966 1.00 1.00 C +ATOM 241 OG SER A 17 -9.941 -4.876 -14.148 1.00 1.00 O +ATOM 242 H SER A 17 -9.096 -3.272 -12.903 1.00 1.00 H +ATOM 243 HA SER A 17 -7.117 -3.320 -14.934 1.00 1.00 H +ATOM 244 HB2 SER A 17 -9.061 -4.819 -16.012 1.00 1.00 H +ATOM 245 HB3 SER A 17 -8.039 -5.424 -14.725 1.00 1.00 H +ATOM 246 HG SER A 17 -10.702 -4.321 -14.486 1.00 1.00 H +ATOM 247 N ARG A 18 -8.227 -2.189 -16.933 1.00 1.00 N +ATOM 248 CA ARG A 18 -8.727 -1.292 -17.961 1.00 1.00 C +ATOM 249 C ARG A 18 -10.206 -1.575 -18.240 1.00 1.00 C +ATOM 250 O ARG A 18 -10.996 -0.651 -18.412 1.00 1.00 O +ATOM 251 CB ARG A 18 -7.932 -1.443 -19.258 1.00 1.00 C +ATOM 252 CG ARG A 18 -8.678 -2.329 -20.258 1.00 1.00 C +ATOM 253 CD ARG A 18 -7.837 -2.567 -21.514 1.00 1.00 C +ATOM 254 NE ARG A 18 -8.676 -3.155 -22.582 1.00 1.00 N +ATOM 255 CZ ARG A 18 -9.648 -2.494 -23.223 1.00 1.00 C +ATOM 256 NH1 ARG A 18 -9.911 -1.218 -22.908 1.00 1.00 N +ATOM 257 NH2 ARG A 18 -10.360 -3.109 -24.178 1.00 1.00 N +ATOM 258 H ARG A 18 -7.408 -2.703 -17.183 1.00 1.00 H +ATOM 259 HA ARG A 18 -8.591 -0.293 -17.548 1.00 1.00 H +ATOM 260 HB2 ARG A 18 -7.754 -0.462 -19.698 1.00 1.00 H +ATOM 261 HB3 ARG A 18 -6.956 -1.878 -19.042 1.00 1.00 H +ATOM 262 HG2 ARG A 18 -8.923 -3.283 -19.794 1.00 1.00 H +ATOM 263 HG3 ARG A 18 -9.622 -1.857 -20.533 1.00 1.00 H +ATOM 264 HD2 ARG A 18 -7.405 -1.626 -21.857 1.00 1.00 H +ATOM 265 HD3 ARG A 18 -7.006 -3.234 -21.284 1.00 1.00 H +ATOM 266 HE ARG A 18 -8.506 -4.106 -22.842 1.00 1.00 H +ATOM 267 HH11 ARG A 18 -9.382 -0.760 -22.194 1.00 1.00 H +ATOM 268 HH12 ARG A 18 -10.638 -0.724 -23.387 1.00 1.00 H +ATOM 269 HH21 ARG A 18 -10.164 -4.060 -24.414 1.00 1.00 H +ATOM 270 HH22 ARG A 18 -11.085 -2.615 -24.657 1.00 1.00 H +ATOM 271 N ASN A 19 -10.531 -2.859 -18.277 1.00 1.00 N +ATOM 272 CA ASN A 19 -11.900 -3.276 -18.532 1.00 1.00 C +ATOM 273 C ASN A 19 -12.816 -2.693 -17.456 1.00 1.00 C +ATOM 274 O ASN A 19 -13.702 -1.893 -17.756 1.00 1.00 O +ATOM 275 CB ASN A 19 -12.029 -4.800 -18.487 1.00 1.00 C +ATOM 276 CG ASN A 19 -10.956 -5.415 -17.586 1.00 1.00 C +ATOM 277 OD1 ASN A 19 -9.789 -5.495 -17.932 1.00 1.00 O +ATOM 278 ND2 ASN A 19 -11.416 -5.841 -16.413 1.00 1.00 N +ATOM 279 H ASN A 19 -9.881 -3.606 -18.137 1.00 1.00 H +ATOM 280 HA ASN A 19 -12.132 -2.899 -19.529 1.00 1.00 H +ATOM 281 HB2 ASN A 19 -13.017 -5.074 -18.121 1.00 1.00 H +ATOM 282 HB3 ASN A 19 -11.938 -5.207 -19.495 1.00 1.00 H +ATOM 283 HD21 ASN A 19 -12.386 -5.745 -16.191 1.00 1.00 H +ATOM 284 HD22 ASN A 19 -10.790 -6.259 -15.754 1.00 1.00 H +ATOM 285 N ALA A 20 -12.572 -3.113 -16.225 1.00 1.00 N +ATOM 286 CA ALA A 20 -13.363 -2.641 -15.101 1.00 1.00 C +ATOM 287 C ALA A 20 -13.295 -1.114 -15.040 1.00 1.00 C +ATOM 288 O ALA A 20 -14.254 -0.461 -14.630 1.00 1.00 O +ATOM 289 CB ALA A 20 -12.865 -3.299 -13.812 1.00 1.00 C +ATOM 290 H ALA A 20 -11.849 -3.762 -15.988 1.00 1.00 H +ATOM 291 HA ALA A 20 -14.396 -2.944 -15.273 1.00 1.00 H +ATOM 292 HB1 ALA A 20 -12.656 -4.352 -13.999 1.00 1.00 H +ATOM 293 HB2 ALA A 20 -11.955 -2.802 -13.479 1.00 1.00 H +ATOM 294 HB3 ALA A 20 -13.630 -3.212 -13.040 1.00 1.00 H +ATOM 295 N ALA A 21 -12.152 -0.587 -15.453 1.00 1.00 N +ATOM 296 CA ALA A 21 -11.944 0.851 -15.449 1.00 1.00 C +ATOM 297 C ALA A 21 -13.149 1.535 -16.102 1.00 1.00 C +ATOM 298 O ALA A 21 -13.937 2.191 -15.422 1.00 1.00 O +ATOM 299 CB ALA A 21 -10.631 1.179 -16.162 1.00 1.00 C +ATOM 300 H ALA A 21 -11.376 -1.125 -15.784 1.00 1.00 H +ATOM 301 HA ALA A 21 -11.872 1.173 -14.411 1.00 1.00 H +ATOM 302 HB1 ALA A 21 -10.227 0.275 -16.615 1.00 1.00 H +ATOM 303 HB2 ALA A 21 -10.815 1.925 -16.936 1.00 1.00 H +ATOM 304 HB3 ALA A 21 -9.916 1.575 -15.440 1.00 1.00 H +ATOM 305 N GLU A 22 -13.251 1.359 -17.411 1.00 1.00 N +ATOM 306 CA GLU A 22 -14.346 1.952 -18.161 1.00 1.00 C +ATOM 307 C GLU A 22 -15.689 1.458 -17.621 1.00 1.00 C +ATOM 308 O GLU A 22 -16.676 2.192 -17.638 1.00 1.00 O +ATOM 309 CB GLU A 22 -14.211 1.650 -19.656 1.00 1.00 C +ATOM 310 CG GLU A 22 -13.272 0.466 -19.894 1.00 1.00 C +ATOM 311 CD GLU A 22 -13.428 -0.080 -21.315 1.00 1.00 C +ATOM 312 OE1 GLU A 22 -14.439 -0.776 -21.547 1.00 1.00 O +ATOM 313 OE2 GLU A 22 -12.532 0.210 -22.136 1.00 1.00 O +ATOM 314 H GLU A 22 -12.605 0.825 -17.956 1.00 1.00 H +ATOM 315 HA GLU A 22 -14.256 3.026 -18.005 1.00 1.00 H +ATOM 316 HB2 GLU A 22 -15.193 1.430 -20.075 1.00 1.00 H +ATOM 317 HB3 GLU A 22 -13.833 2.530 -20.175 1.00 1.00 H +ATOM 318 HG2 GLU A 22 -12.240 0.777 -19.731 1.00 1.00 H +ATOM 319 HG3 GLU A 22 -13.486 -0.322 -19.171 1.00 1.00 H +ATOM 320 N TYR A 23 -15.684 0.218 -17.153 1.00 1.00 N +ATOM 321 CA TYR A 23 -16.890 -0.381 -16.609 1.00 1.00 C +ATOM 322 C TYR A 23 -17.395 0.406 -15.398 1.00 1.00 C +ATOM 323 O TYR A 23 -18.422 1.078 -15.474 1.00 1.00 O +ATOM 324 CB TYR A 23 -16.494 -1.789 -16.159 1.00 1.00 C +ATOM 325 CG TYR A 23 -17.681 -2.680 -15.783 1.00 1.00 C +ATOM 326 CD1 TYR A 23 -18.755 -2.795 -16.643 1.00 1.00 C +ATOM 327 CD2 TYR A 23 -17.678 -3.367 -14.587 1.00 1.00 C +ATOM 328 CE1 TYR A 23 -19.871 -3.632 -16.291 1.00 1.00 C +ATOM 329 CE2 TYR A 23 -18.794 -4.205 -14.235 1.00 1.00 C +ATOM 330 CZ TYR A 23 -19.836 -4.296 -15.104 1.00 1.00 C +ATOM 331 OH TYR A 23 -20.891 -5.087 -14.771 1.00 1.00 O +ATOM 332 H TYR A 23 -14.876 -0.371 -17.143 1.00 1.00 H +ATOM 333 HA TYR A 23 -17.654 -0.367 -17.386 1.00 1.00 H +ATOM 334 HB2 TYR A 23 -15.930 -2.270 -16.957 1.00 1.00 H +ATOM 335 HB3 TYR A 23 -15.827 -1.711 -15.300 1.00 1.00 H +ATOM 336 HD1 TYR A 23 -18.757 -2.252 -17.589 1.00 1.00 H +ATOM 337 HD2 TYR A 23 -16.830 -3.274 -13.908 1.00 1.00 H +ATOM 338 HE1 TYR A 23 -20.726 -3.734 -16.960 1.00 1.00 H +ATOM 339 HE2 TYR A 23 -18.804 -4.752 -13.293 1.00 1.00 H +ATOM 340 HH TYR A 23 -21.298 -5.480 -15.596 1.00 1.00 H +ATOM 341 N LEU A 24 -16.649 0.297 -14.308 1.00 1.00 N +ATOM 342 CA LEU A 24 -17.008 0.990 -13.083 1.00 1.00 C +ATOM 343 C LEU A 24 -17.327 2.453 -13.404 1.00 1.00 C +ATOM 344 O LEU A 24 -18.403 2.945 -13.069 1.00 1.00 O +ATOM 345 CB LEU A 24 -15.913 0.817 -12.027 1.00 1.00 C +ATOM 346 CG LEU A 24 -14.506 1.247 -12.445 1.00 1.00 C +ATOM 347 CD1 LEU A 24 -14.156 2.618 -11.863 1.00 1.00 C +ATOM 348 CD2 LEU A 24 -13.473 0.183 -12.069 1.00 1.00 C +ATOM 349 H LEU A 24 -15.815 -0.251 -14.254 1.00 1.00 H +ATOM 350 HA LEU A 24 -17.909 0.519 -12.693 1.00 1.00 H +ATOM 351 HB2 LEU A 24 -16.197 1.384 -11.142 1.00 1.00 H +ATOM 352 HB3 LEU A 24 -15.880 -0.234 -11.738 1.00 1.00 H +ATOM 353 HG LEU A 24 -14.486 1.345 -13.530 1.00 1.00 H +ATOM 354 HD11 LEU A 24 -14.966 2.955 -11.215 1.00 1.00 H +ATOM 355 HD12 LEU A 24 -13.236 2.541 -11.283 1.00 1.00 H +ATOM 356 HD13 LEU A 24 -14.017 3.333 -12.674 1.00 1.00 H +ATOM 357 HD21 LEU A 24 -13.748 -0.767 -12.525 1.00 1.00 H +ATOM 358 HD22 LEU A 24 -12.490 0.488 -12.428 1.00 1.00 H +ATOM 359 HD23 LEU A 24 -13.446 0.070 -10.984 1.00 1.00 H +ATOM 360 N LEU A 25 -16.371 3.105 -14.049 1.00 1.00 N +ATOM 361 CA LEU A 25 -16.536 4.500 -14.420 1.00 1.00 C +ATOM 362 C LEU A 25 -17.630 4.615 -15.484 1.00 1.00 C +ATOM 363 O LEU A 25 -17.398 4.308 -16.653 1.00 1.00 O +ATOM 364 CB LEU A 25 -15.197 5.104 -14.846 1.00 1.00 C +ATOM 365 CG LEU A 25 -15.273 6.352 -15.727 1.00 1.00 C +ATOM 366 CD1 LEU A 25 -15.135 7.623 -14.889 1.00 1.00 C +ATOM 367 CD2 LEU A 25 -14.240 6.292 -16.853 1.00 1.00 C +ATOM 368 H LEU A 25 -15.499 2.696 -14.319 1.00 1.00 H +ATOM 369 HA LEU A 25 -16.864 5.038 -13.530 1.00 1.00 H +ATOM 370 HB2 LEU A 25 -14.630 5.351 -13.948 1.00 1.00 H +ATOM 371 HB3 LEU A 25 -14.630 4.341 -15.379 1.00 1.00 H +ATOM 372 HG LEU A 25 -16.258 6.380 -16.195 1.00 1.00 H +ATOM 373 HD11 LEU A 25 -14.983 7.356 -13.844 1.00 1.00 H +ATOM 374 HD12 LEU A 25 -14.280 8.201 -15.244 1.00 1.00 H +ATOM 375 HD13 LEU A 25 -16.041 8.222 -14.984 1.00 1.00 H +ATOM 376 HD21 LEU A 25 -13.894 5.265 -16.975 1.00 1.00 H +ATOM 377 HD22 LEU A 25 -14.696 6.634 -17.783 1.00 1.00 H +ATOM 378 HD23 LEU A 25 -13.395 6.935 -16.607 1.00 1.00 H +ATOM 379 N SER A 26 -18.797 5.057 -15.042 1.00 1.00 N +ATOM 380 CA SER A 26 -19.926 5.217 -15.942 1.00 1.00 C +ATOM 381 C SER A 26 -21.034 6.020 -15.256 1.00 1.00 C +ATOM 382 O SER A 26 -22.216 5.807 -15.522 1.00 1.00 O +ATOM 383 CB SER A 26 -20.462 3.859 -16.401 1.00 1.00 C +ATOM 384 OG SER A 26 -21.585 3.992 -17.267 1.00 1.00 O +ATOM 385 H SER A 26 -18.978 5.304 -14.091 1.00 1.00 H +ATOM 386 HA SER A 26 -19.536 5.761 -16.803 1.00 1.00 H +ATOM 387 HB2 SER A 26 -19.671 3.311 -16.912 1.00 1.00 H +ATOM 388 HB3 SER A 26 -20.745 3.268 -15.529 1.00 1.00 H +ATOM 389 HG SER A 26 -21.732 4.955 -17.491 1.00 1.00 H +ATOM 390 N SER A 27 -20.611 6.926 -14.386 1.00 1.00 N +ATOM 391 CA SER A 27 -21.552 7.761 -13.661 1.00 1.00 C +ATOM 392 C SER A 27 -20.796 8.797 -12.825 1.00 1.00 C +ATOM 393 O SER A 27 -20.376 8.510 -11.706 1.00 1.00 O +ATOM 394 CB SER A 27 -22.462 6.918 -12.763 1.00 1.00 C +ATOM 395 OG SER A 27 -23.470 6.243 -13.510 1.00 1.00 O +ATOM 396 H SER A 27 -19.648 7.092 -14.175 1.00 1.00 H +ATOM 397 HA SER A 27 -22.153 8.252 -14.425 1.00 1.00 H +ATOM 398 HB2 SER A 27 -21.858 6.186 -12.224 1.00 1.00 H +ATOM 399 HB3 SER A 27 -22.930 7.558 -12.017 1.00 1.00 H +ATOM 400 HG SER A 27 -23.937 6.888 -14.115 1.00 1.00 H +ATOM 401 N GLY A 28 -20.648 9.981 -13.402 1.00 1.00 N +ATOM 402 CA GLY A 28 -19.949 11.060 -12.725 1.00 1.00 C +ATOM 403 C GLY A 28 -20.068 12.368 -13.511 1.00 1.00 C +ATOM 404 O GLY A 28 -21.171 12.800 -13.841 1.00 1.00 O +ATOM 405 H GLY A 28 -20.993 10.206 -14.314 1.00 1.00 H +ATOM 406 HA2 GLY A 28 -20.362 11.195 -11.726 1.00 1.00 H +ATOM 407 HA3 GLY A 28 -18.898 10.799 -12.604 1.00 1.00 H +ATOM 408 N ILE A 29 -18.916 12.961 -13.788 1.00 1.00 N +ATOM 409 CA ILE A 29 -18.876 14.210 -14.530 1.00 1.00 C +ATOM 410 C ILE A 29 -18.505 13.922 -15.986 1.00 1.00 C +ATOM 411 O ILE A 29 -18.133 12.800 -16.325 1.00 1.00 O +ATOM 412 CB ILE A 29 -17.946 15.212 -13.843 1.00 1.00 C +ATOM 413 CG1 ILE A 29 -17.871 14.948 -12.338 1.00 1.00 C +ATOM 414 CG2 ILE A 29 -18.362 16.650 -14.153 1.00 1.00 C +ATOM 415 CD1 ILE A 29 -17.084 16.051 -11.627 1.00 1.00 C +ATOM 416 H ILE A 29 -18.022 12.602 -13.516 1.00 1.00 H +ATOM 417 HA ILE A 29 -19.880 14.635 -14.508 1.00 1.00 H +ATOM 418 HB ILE A 29 -16.941 15.073 -14.244 1.00 1.00 H +ATOM 419 HG12 ILE A 29 -18.878 14.890 -11.925 1.00 1.00 H +ATOM 420 HG13 ILE A 29 -17.397 13.983 -12.156 1.00 1.00 H +ATOM 421 HG21 ILE A 29 -19.444 16.742 -14.058 1.00 1.00 H +ATOM 422 HG22 ILE A 29 -17.876 17.328 -13.453 1.00 1.00 H +ATOM 423 HG23 ILE A 29 -18.065 16.903 -15.171 1.00 1.00 H +ATOM 424 HD11 ILE A 29 -16.168 16.257 -12.179 1.00 1.00 H +ATOM 425 HD12 ILE A 29 -17.690 16.954 -11.577 1.00 1.00 H +ATOM 426 HD13 ILE A 29 -16.835 15.725 -10.616 1.00 1.00 H +ATOM 427 N ASN A 30 -18.618 14.956 -16.806 1.00 1.00 N +ATOM 428 CA ASN A 30 -18.297 14.828 -18.219 1.00 1.00 C +ATOM 429 C ASN A 30 -16.778 14.772 -18.390 1.00 1.00 C +ATOM 430 O ASN A 30 -16.281 14.616 -19.505 1.00 1.00 O +ATOM 431 CB ASN A 30 -18.819 16.029 -19.012 1.00 1.00 C +ATOM 432 CG ASN A 30 -18.230 17.336 -18.477 1.00 1.00 C +ATOM 433 OD1 ASN A 30 -17.849 17.449 -17.324 1.00 1.00 O +ATOM 434 ND2 ASN A 30 -18.180 18.314 -19.378 1.00 1.00 N +ATOM 435 H ASN A 30 -18.920 15.865 -16.523 1.00 1.00 H +ATOM 436 HA ASN A 30 -18.788 13.911 -18.542 1.00 1.00 H +ATOM 437 HB2 ASN A 30 -18.560 15.912 -20.064 1.00 1.00 H +ATOM 438 HB3 ASN A 30 -19.906 16.063 -18.953 1.00 1.00 H +ATOM 439 HD21 ASN A 30 -18.511 18.155 -20.308 1.00 1.00 H +ATOM 440 HD22 ASN A 30 -17.811 19.208 -19.125 1.00 1.00 H +ATOM 441 N GLY A 31 -16.083 14.902 -17.269 1.00 1.00 N +ATOM 442 CA GLY A 31 -14.632 14.867 -17.281 1.00 1.00 C +ATOM 443 C GLY A 31 -14.087 14.217 -16.007 1.00 1.00 C +ATOM 444 O GLY A 31 -14.085 14.835 -14.943 1.00 1.00 O +ATOM 445 H GLY A 31 -16.496 15.027 -16.366 1.00 1.00 H +ATOM 446 HA2 GLY A 31 -14.284 14.312 -18.153 1.00 1.00 H +ATOM 447 HA3 GLY A 31 -14.241 15.881 -17.372 1.00 1.00 H +ATOM 448 N SER A 32 -13.638 12.979 -16.157 1.00 1.00 N +ATOM 449 CA SER A 32 -13.093 12.239 -15.032 1.00 1.00 C +ATOM 450 C SER A 32 -11.976 11.310 -15.510 1.00 1.00 C +ATOM 451 O SER A 32 -12.097 10.672 -16.555 1.00 1.00 O +ATOM 452 CB SER A 32 -14.184 11.436 -14.320 1.00 1.00 C +ATOM 453 OG SER A 32 -14.683 10.377 -15.133 1.00 1.00 O +ATOM 454 H SER A 32 -13.644 12.484 -17.026 1.00 1.00 H +ATOM 455 HA SER A 32 -12.698 12.995 -14.354 1.00 1.00 H +ATOM 456 HB2 SER A 32 -13.786 11.026 -13.393 1.00 1.00 H +ATOM 457 HB3 SER A 32 -15.004 12.102 -14.048 1.00 1.00 H +ATOM 458 HG SER A 32 -15.644 10.205 -14.918 1.00 1.00 H +ATOM 459 N PHE A 33 -10.913 11.260 -14.721 1.00 1.00 N +ATOM 460 CA PHE A 33 -9.775 10.419 -15.048 1.00 1.00 C +ATOM 461 C PHE A 33 -9.486 9.424 -13.924 1.00 1.00 C +ATOM 462 O PHE A 33 -9.967 9.589 -12.803 1.00 1.00 O +ATOM 463 CB PHE A 33 -8.568 11.345 -15.216 1.00 1.00 C +ATOM 464 CG PHE A 33 -8.825 12.541 -16.135 1.00 1.00 C +ATOM 465 CD1 PHE A 33 -9.888 13.358 -15.908 1.00 1.00 C +ATOM 466 CD2 PHE A 33 -7.989 12.786 -17.180 1.00 1.00 C +ATOM 467 CE1 PHE A 33 -10.125 14.468 -16.762 1.00 1.00 C +ATOM 468 CE2 PHE A 33 -8.227 13.897 -18.034 1.00 1.00 C +ATOM 469 CZ PHE A 33 -9.289 14.714 -17.806 1.00 1.00 C +ATOM 470 H PHE A 33 -10.823 11.782 -13.871 1.00 1.00 H +ATOM 471 HA PHE A 33 -10.027 9.874 -15.958 1.00 1.00 H +ATOM 472 HB2 PHE A 33 -8.266 11.712 -14.235 1.00 1.00 H +ATOM 473 HB3 PHE A 33 -7.733 10.767 -15.613 1.00 1.00 H +ATOM 474 HD1 PHE A 33 -10.557 13.161 -15.072 1.00 1.00 H +ATOM 475 HD2 PHE A 33 -7.138 12.132 -17.362 1.00 1.00 H +ATOM 476 HE1 PHE A 33 -10.977 15.122 -16.579 1.00 1.00 H +ATOM 477 HE2 PHE A 33 -7.557 14.093 -18.871 1.00 1.00 H +ATOM 478 HZ PHE A 33 -9.472 15.566 -18.461 1.00 1.00 H +ATOM 479 N LEU A 34 -8.702 8.410 -14.261 1.00 1.00 N +ATOM 480 CA LEU A 34 -8.343 7.388 -13.293 1.00 1.00 C +ATOM 481 C LEU A 34 -6.997 6.774 -13.681 1.00 1.00 C +ATOM 482 O LEU A 34 -6.742 6.522 -14.857 1.00 1.00 O +ATOM 483 CB LEU A 34 -9.469 6.362 -13.155 1.00 1.00 C +ATOM 484 CG LEU A 34 -9.110 4.919 -13.513 1.00 1.00 C +ATOM 485 CD1 LEU A 34 -8.483 4.197 -12.318 1.00 1.00 C +ATOM 486 CD2 LEU A 34 -10.327 4.169 -14.061 1.00 1.00 C +ATOM 487 H LEU A 34 -8.314 8.283 -15.173 1.00 1.00 H +ATOM 488 HA LEU A 34 -8.233 7.877 -12.325 1.00 1.00 H +ATOM 489 HB2 LEU A 34 -9.829 6.381 -12.125 1.00 1.00 H +ATOM 490 HB3 LEU A 34 -10.300 6.676 -13.788 1.00 1.00 H +ATOM 491 HG LEU A 34 -8.362 4.939 -14.304 1.00 1.00 H +ATOM 492 HD11 LEU A 34 -7.777 4.863 -11.821 1.00 1.00 H +ATOM 493 HD12 LEU A 34 -9.265 3.907 -11.616 1.00 1.00 H +ATOM 494 HD13 LEU A 34 -7.959 3.306 -12.665 1.00 1.00 H +ATOM 495 HD21 LEU A 34 -10.997 4.876 -14.550 1.00 1.00 H +ATOM 496 HD22 LEU A 34 -9.998 3.421 -14.782 1.00 1.00 H +ATOM 497 HD23 LEU A 34 -10.851 3.679 -13.240 1.00 1.00 H +ATOM 498 N VAL A 35 -6.170 6.551 -12.670 1.00 1.00 N +ATOM 499 CA VAL A 35 -4.856 5.972 -12.890 1.00 1.00 C +ATOM 500 C VAL A 35 -4.906 4.473 -12.581 1.00 1.00 C +ATOM 501 O VAL A 35 -5.597 4.049 -11.656 1.00 1.00 O +ATOM 502 CB VAL A 35 -3.810 6.717 -12.061 1.00 1.00 C +ATOM 503 CG1 VAL A 35 -3.467 5.946 -10.785 1.00 1.00 C +ATOM 504 CG2 VAL A 35 -2.552 6.996 -12.887 1.00 1.00 C +ATOM 505 H VAL A 35 -6.385 6.758 -11.715 1.00 1.00 H +ATOM 506 HA VAL A 35 -4.611 6.105 -13.943 1.00 1.00 H +ATOM 507 HB VAL A 35 -4.236 7.677 -11.768 1.00 1.00 H +ATOM 508 HG11 VAL A 35 -4.299 5.293 -10.523 1.00 1.00 H +ATOM 509 HG12 VAL A 35 -2.573 5.345 -10.953 1.00 1.00 H +ATOM 510 HG13 VAL A 35 -3.285 6.649 -9.972 1.00 1.00 H +ATOM 511 HG21 VAL A 35 -2.142 6.054 -13.255 1.00 1.00 H +ATOM 512 HG22 VAL A 35 -2.808 7.635 -13.733 1.00 1.00 H +ATOM 513 HG23 VAL A 35 -1.810 7.496 -12.265 1.00 1.00 H +ATOM 514 N ARG A 36 -4.165 3.714 -13.375 1.00 1.00 N +ATOM 515 CA ARG A 36 -4.116 2.272 -13.198 1.00 1.00 C +ATOM 516 C ARG A 36 -2.664 1.790 -13.173 1.00 1.00 C +ATOM 517 O ARG A 36 -1.737 2.596 -13.236 1.00 1.00 O +ATOM 518 CB ARG A 36 -4.865 1.554 -14.322 1.00 1.00 C +ATOM 519 CG ARG A 36 -5.953 2.450 -14.917 1.00 1.00 C +ATOM 520 CD ARG A 36 -5.551 2.953 -16.305 1.00 1.00 C +ATOM 521 NE ARG A 36 -6.761 3.273 -17.095 1.00 1.00 N +ATOM 522 CZ ARG A 36 -6.739 3.659 -18.379 1.00 1.00 C +ATOM 523 NH1 ARG A 36 -5.569 3.774 -19.024 1.00 1.00 N +ATOM 524 NH2 ARG A 36 -7.885 3.929 -19.018 1.00 1.00 N +ATOM 525 H ARG A 36 -3.606 4.067 -14.125 1.00 1.00 H +ATOM 526 HA ARG A 36 -4.606 2.092 -12.242 1.00 1.00 H +ATOM 527 HB2 ARG A 36 -4.163 1.262 -15.104 1.00 1.00 H +ATOM 528 HB3 ARG A 36 -5.314 0.638 -13.938 1.00 1.00 H +ATOM 529 HG2 ARG A 36 -6.890 1.897 -14.984 1.00 1.00 H +ATOM 530 HG3 ARG A 36 -6.130 3.299 -14.256 1.00 1.00 H +ATOM 531 HD2 ARG A 36 -4.923 3.838 -16.213 1.00 1.00 H +ATOM 532 HD3 ARG A 36 -4.961 2.194 -16.819 1.00 1.00 H +ATOM 533 HE ARG A 36 -7.651 3.198 -16.645 1.00 1.00 H +ATOM 534 HH11 ARG A 36 -4.714 3.573 -18.548 1.00 1.00 H +ATOM 535 HH12 ARG A 36 -5.553 4.062 -19.981 1.00 1.00 H +ATOM 536 HH21 ARG A 36 -8.758 3.844 -18.537 1.00 1.00 H +ATOM 537 HH22 ARG A 36 -7.869 4.218 -19.975 1.00 1.00 H +ATOM 538 N GLU A 37 -2.511 0.476 -13.081 1.00 1.00 N +ATOM 539 CA GLU A 37 -1.188 -0.123 -13.046 1.00 1.00 C +ATOM 540 C GLU A 37 -1.076 -1.221 -14.104 1.00 1.00 C +ATOM 541 O GLU A 37 -1.901 -2.132 -14.148 1.00 1.00 O +ATOM 542 CB GLU A 37 -0.870 -0.667 -11.652 1.00 1.00 C +ATOM 543 CG GLU A 37 -1.370 -2.105 -11.498 1.00 1.00 C +ATOM 544 CD GLU A 37 -1.035 -2.658 -10.112 1.00 1.00 C +ATOM 545 OE1 GLU A 37 -1.463 -2.019 -9.127 1.00 1.00 O +ATOM 546 OE2 GLU A 37 -0.356 -3.707 -10.067 1.00 1.00 O +ATOM 547 H GLU A 37 -3.271 -0.172 -13.029 1.00 1.00 H +ATOM 548 HA GLU A 37 -0.497 0.688 -13.279 1.00 1.00 H +ATOM 549 HB2 GLU A 37 0.206 -0.634 -11.482 1.00 1.00 H +ATOM 550 HB3 GLU A 37 -1.333 -0.036 -10.895 1.00 1.00 H +ATOM 551 HG2 GLU A 37 -2.448 -2.138 -11.655 1.00 1.00 H +ATOM 552 HG3 GLU A 37 -0.918 -2.736 -12.265 1.00 1.00 H +ATOM 553 N SER A 38 -0.046 -1.101 -14.930 1.00 1.00 N +ATOM 554 CA SER A 38 0.185 -2.072 -15.984 1.00 1.00 C +ATOM 555 C SER A 38 0.780 -3.352 -15.396 1.00 1.00 C +ATOM 556 O SER A 38 1.329 -3.336 -14.294 1.00 1.00 O +ATOM 557 CB SER A 38 1.109 -1.505 -17.063 1.00 1.00 C +ATOM 558 OG SER A 38 2.363 -2.181 -17.102 1.00 1.00 O +ATOM 559 H SER A 38 0.620 -0.357 -14.887 1.00 1.00 H +ATOM 560 HA SER A 38 -0.797 -2.270 -16.415 1.00 1.00 H +ATOM 561 HB2 SER A 38 0.625 -1.586 -18.036 1.00 1.00 H +ATOM 562 HB3 SER A 38 1.275 -0.444 -16.878 1.00 1.00 H +ATOM 563 HG SER A 38 2.605 -2.400 -18.046 1.00 1.00 H +ATOM 564 N GLU A 39 0.651 -4.431 -16.154 1.00 1.00 N +ATOM 565 CA GLU A 39 1.170 -5.718 -15.721 1.00 1.00 C +ATOM 566 C GLU A 39 1.982 -6.368 -16.843 1.00 1.00 C +ATOM 567 O GLU A 39 1.426 -7.052 -17.700 1.00 1.00 O +ATOM 568 CB GLU A 39 0.038 -6.638 -15.260 1.00 1.00 C +ATOM 569 CG GLU A 39 0.588 -7.839 -14.488 1.00 1.00 C +ATOM 570 CD GLU A 39 1.980 -7.541 -13.928 1.00 1.00 C +ATOM 571 OE1 GLU A 39 2.039 -6.833 -12.899 1.00 1.00 O +ATOM 572 OE2 GLU A 39 2.954 -8.028 -14.543 1.00 1.00 O +ATOM 573 H GLU A 39 0.204 -4.436 -17.048 1.00 1.00 H +ATOM 574 HA GLU A 39 1.819 -5.497 -14.873 1.00 1.00 H +ATOM 575 HB2 GLU A 39 -0.654 -6.081 -14.627 1.00 1.00 H +ATOM 576 HB3 GLU A 39 -0.530 -6.983 -16.123 1.00 1.00 H +ATOM 577 HG2 GLU A 39 -0.090 -8.093 -13.672 1.00 1.00 H +ATOM 578 HG3 GLU A 39 0.633 -8.707 -15.146 1.00 1.00 H +ATOM 579 N SER A 40 3.285 -6.130 -16.799 1.00 1.00 N +ATOM 580 CA SER A 40 4.180 -6.685 -17.802 1.00 1.00 C +ATOM 581 C SER A 40 5.538 -5.986 -17.734 1.00 1.00 C +ATOM 582 O SER A 40 6.554 -6.555 -18.131 1.00 1.00 O +ATOM 583 CB SER A 40 3.584 -6.553 -19.204 1.00 1.00 C +ATOM 584 OG SER A 40 3.035 -5.258 -19.431 1.00 1.00 O +ATOM 585 H SER A 40 3.730 -5.573 -16.099 1.00 1.00 H +ATOM 586 HA SER A 40 4.279 -7.741 -17.548 1.00 1.00 H +ATOM 587 HB2 SER A 40 4.357 -6.753 -19.948 1.00 1.00 H +ATOM 588 HB3 SER A 40 2.807 -7.306 -19.342 1.00 1.00 H +ATOM 589 HG SER A 40 3.669 -4.707 -19.974 1.00 1.00 H +ATOM 590 N SER A 41 5.514 -4.762 -17.227 1.00 1.00 N +ATOM 591 CA SER A 41 6.732 -3.980 -17.102 1.00 1.00 C +ATOM 592 C SER A 41 7.147 -3.889 -15.632 1.00 1.00 C +ATOM 593 O SER A 41 6.304 -3.965 -14.740 1.00 1.00 O +ATOM 594 CB SER A 41 6.549 -2.578 -17.690 1.00 1.00 C +ATOM 595 OG SER A 41 5.227 -2.374 -18.181 1.00 1.00 O +ATOM 596 H SER A 41 4.684 -4.306 -16.906 1.00 1.00 H +ATOM 597 HA SER A 41 7.483 -4.520 -17.678 1.00 1.00 H +ATOM 598 HB2 SER A 41 6.772 -1.833 -16.926 1.00 1.00 H +ATOM 599 HB3 SER A 41 7.265 -2.429 -18.499 1.00 1.00 H +ATOM 600 HG SER A 41 5.224 -2.415 -19.181 1.00 1.00 H +ATOM 601 N PRO A 42 8.480 -3.723 -15.421 1.00 1.00 N +ATOM 602 CA PRO A 42 9.017 -3.621 -14.073 1.00 1.00 C +ATOM 603 C PRO A 42 8.715 -2.249 -13.466 1.00 1.00 C +ATOM 604 O PRO A 42 9.630 -1.512 -13.102 1.00 1.00 O +ATOM 605 CB PRO A 42 10.505 -3.890 -14.223 1.00 1.00 C +ATOM 606 CG PRO A 42 10.823 -3.673 -15.693 1.00 1.00 C +ATOM 607 CD PRO A 42 9.508 -3.629 -16.453 1.00 1.00 C +ATOM 608 HA PRO A 42 8.577 -4.289 -13.474 1.00 1.00 H +ATOM 609 HB2 PRO A 42 11.088 -3.217 -13.594 1.00 1.00 H +ATOM 610 HB3 PRO A 42 10.752 -4.906 -13.915 1.00 1.00 H +ATOM 611 HG2 PRO A 42 11.375 -2.743 -15.831 1.00 1.00 H +ATOM 612 HG3 PRO A 42 11.455 -4.478 -16.070 1.00 1.00 H +ATOM 613 HD2 PRO A 42 9.412 -2.707 -17.026 1.00 1.00 H +ATOM 614 HD3 PRO A 42 9.432 -4.453 -17.162 1.00 1.00 H +ATOM 615 N GLY A 43 7.428 -1.948 -13.374 1.00 1.00 N +ATOM 616 CA GLY A 43 6.994 -0.679 -12.817 1.00 1.00 C +ATOM 617 C GLY A 43 6.413 0.228 -13.904 1.00 1.00 C +ATOM 618 O GLY A 43 7.083 1.146 -14.373 1.00 1.00 O +ATOM 619 H GLY A 43 6.690 -2.554 -13.674 1.00 1.00 H +ATOM 620 HA2 GLY A 43 6.244 -0.854 -12.046 1.00 1.00 H +ATOM 621 HA3 GLY A 43 7.836 -0.182 -12.336 1.00 1.00 H +ATOM 622 N GLN A 44 5.175 -0.062 -14.273 1.00 1.00 N +ATOM 623 CA GLN A 44 4.497 0.715 -15.297 1.00 1.00 C +ATOM 624 C GLN A 44 3.158 1.233 -14.769 1.00 1.00 C +ATOM 625 O GLN A 44 2.501 0.568 -13.969 1.00 1.00 O +ATOM 626 CB GLN A 44 4.302 -0.108 -16.572 1.00 1.00 C +ATOM 627 CG GLN A 44 5.032 0.532 -17.754 1.00 1.00 C +ATOM 628 CD GLN A 44 4.056 1.300 -18.650 1.00 1.00 C +ATOM 629 OE1 GLN A 44 3.071 1.862 -18.200 1.00 1.00 O +ATOM 630 NE2 GLN A 44 4.383 1.289 -19.940 1.00 1.00 N +ATOM 631 H GLN A 44 4.637 -0.813 -13.887 1.00 1.00 H +ATOM 632 HA GLN A 44 5.160 1.553 -15.510 1.00 1.00 H +ATOM 633 HB2 GLN A 44 4.675 -1.121 -16.416 1.00 1.00 H +ATOM 634 HB3 GLN A 44 3.239 -0.191 -16.797 1.00 1.00 H +ATOM 635 HG2 GLN A 44 5.802 1.210 -17.387 1.00 1.00 H +ATOM 636 HG3 GLN A 44 5.536 -0.239 -18.336 1.00 1.00 H +ATOM 637 HE21 GLN A 44 5.205 0.808 -20.243 1.00 1.00 H +ATOM 638 HE22 GLN A 44 3.806 1.763 -20.605 1.00 1.00 H +ATOM 639 N ARG A 45 2.791 2.418 -15.238 1.00 1.00 N +ATOM 640 CA ARG A 45 1.542 3.033 -14.824 1.00 1.00 C +ATOM 641 C ARG A 45 0.753 3.506 -16.046 1.00 1.00 C +ATOM 642 O ARG A 45 1.334 3.998 -17.012 1.00 1.00 O +ATOM 643 CB ARG A 45 1.797 4.223 -13.896 1.00 1.00 C +ATOM 644 CG ARG A 45 0.519 5.043 -13.694 1.00 1.00 C +ATOM 645 CD ARG A 45 0.394 6.132 -14.762 1.00 1.00 C +ATOM 646 NE ARG A 45 -0.093 7.388 -14.148 1.00 1.00 N +ATOM 647 CZ ARG A 45 0.613 8.123 -13.279 1.00 1.00 C +ATOM 648 NH1 ARG A 45 1.843 7.732 -12.916 1.00 1.00 N +ATOM 649 NH2 ARG A 45 0.091 9.249 -12.773 1.00 1.00 N +ATOM 650 H ARG A 45 3.331 2.952 -15.889 1.00 1.00 H +ATOM 651 HA ARG A 45 1.007 2.247 -14.292 1.00 1.00 H +ATOM 652 HB2 ARG A 45 2.160 3.867 -12.933 1.00 1.00 H +ATOM 653 HB3 ARG A 45 2.578 4.857 -14.317 1.00 1.00 H +ATOM 654 HG2 ARG A 45 -0.348 4.386 -13.736 1.00 1.00 H +ATOM 655 HG3 ARG A 45 0.529 5.499 -12.705 1.00 1.00 H +ATOM 656 HD2 ARG A 45 1.361 6.300 -15.237 1.00 1.00 H +ATOM 657 HD3 ARG A 45 -0.294 5.810 -15.544 1.00 1.00 H +ATOM 658 HE ARG A 45 -1.007 7.708 -14.399 1.00 1.00 H +ATOM 659 HH11 ARG A 45 2.233 6.893 -13.294 1.00 1.00 H +ATOM 660 HH12 ARG A 45 2.370 8.282 -12.268 1.00 1.00 H +ATOM 661 HH21 ARG A 45 -0.826 9.539 -13.044 1.00 1.00 H +ATOM 662 HH22 ARG A 45 0.618 9.797 -12.125 1.00 1.00 H +ATOM 663 N SER A 46 -0.559 3.344 -15.962 1.00 1.00 N +ATOM 664 CA SER A 46 -1.434 3.749 -17.050 1.00 1.00 C +ATOM 665 C SER A 46 -2.287 4.944 -16.619 1.00 1.00 C +ATOM 666 O SER A 46 -2.345 5.273 -15.434 1.00 1.00 O +ATOM 667 CB SER A 46 -2.330 2.591 -17.496 1.00 1.00 C +ATOM 668 OG SER A 46 -2.260 1.485 -16.601 1.00 1.00 O +ATOM 669 H SER A 46 -1.024 2.943 -15.172 1.00 1.00 H +ATOM 670 HA SER A 46 -0.769 4.027 -17.867 1.00 1.00 H +ATOM 671 HB2 SER A 46 -3.361 2.937 -17.564 1.00 1.00 H +ATOM 672 HB3 SER A 46 -2.036 2.269 -18.495 1.00 1.00 H +ATOM 673 HG SER A 46 -2.392 1.797 -15.660 1.00 1.00 H +ATOM 674 N ILE A 47 -2.925 5.561 -17.601 1.00 1.00 N +ATOM 675 CA ILE A 47 -3.771 6.712 -17.339 1.00 1.00 C +ATOM 676 C ILE A 47 -5.157 6.468 -17.939 1.00 1.00 C +ATOM 677 O ILE A 47 -5.274 6.068 -19.095 1.00 1.00 O +ATOM 678 CB ILE A 47 -3.102 7.995 -17.836 1.00 1.00 C +ATOM 679 CG1 ILE A 47 -3.151 9.089 -16.767 1.00 1.00 C +ATOM 680 CG2 ILE A 47 -3.716 8.456 -19.159 1.00 1.00 C +ATOM 681 CD1 ILE A 47 -1.762 9.685 -16.529 1.00 1.00 C +ATOM 682 H ILE A 47 -2.872 5.286 -18.561 1.00 1.00 H +ATOM 683 HA ILE A 47 -3.874 6.801 -16.257 1.00 1.00 H +ATOM 684 HB ILE A 47 -2.051 7.779 -18.028 1.00 1.00 H +ATOM 685 HG12 ILE A 47 -3.839 9.875 -17.079 1.00 1.00 H +ATOM 686 HG13 ILE A 47 -3.538 8.676 -15.837 1.00 1.00 H +ATOM 687 HG21 ILE A 47 -4.790 8.272 -19.145 1.00 1.00 H +ATOM 688 HG22 ILE A 47 -3.533 9.522 -19.293 1.00 1.00 H +ATOM 689 HG23 ILE A 47 -3.263 7.903 -19.981 1.00 1.00 H +ATOM 690 HD11 ILE A 47 -1.234 9.769 -17.479 1.00 1.00 H +ATOM 691 HD12 ILE A 47 -1.863 10.674 -16.081 1.00 1.00 H +ATOM 692 HD13 ILE A 47 -1.200 9.038 -15.856 1.00 1.00 H +ATOM 693 N SER A 48 -6.173 6.722 -17.126 1.00 1.00 N +ATOM 694 CA SER A 48 -7.546 6.536 -17.562 1.00 1.00 C +ATOM 695 C SER A 48 -8.245 7.891 -17.680 1.00 1.00 C +ATOM 696 O SER A 48 -8.219 8.691 -16.746 1.00 1.00 O +ATOM 697 CB SER A 48 -8.311 5.624 -16.601 1.00 1.00 C +ATOM 698 OG SER A 48 -9.282 4.831 -17.277 1.00 1.00 O +ATOM 699 H SER A 48 -6.068 7.048 -16.185 1.00 1.00 H +ATOM 700 HA SER A 48 -7.475 6.056 -18.539 1.00 1.00 H +ATOM 701 HB2 SER A 48 -7.608 4.972 -16.082 1.00 1.00 H +ATOM 702 HB3 SER A 48 -8.802 6.232 -15.841 1.00 1.00 H +ATOM 703 HG SER A 48 -9.724 4.208 -16.632 1.00 1.00 H +ATOM 704 N LEU A 49 -8.856 8.107 -18.835 1.00 1.00 N +ATOM 705 CA LEU A 49 -9.563 9.352 -19.086 1.00 1.00 C +ATOM 706 C LEU A 49 -11.022 9.046 -19.427 1.00 1.00 C +ATOM 707 O LEU A 49 -11.302 8.165 -20.239 1.00 1.00 O +ATOM 708 CB LEU A 49 -8.840 10.171 -20.159 1.00 1.00 C +ATOM 709 CG LEU A 49 -7.328 9.964 -20.255 1.00 1.00 C +ATOM 710 CD1 LEU A 49 -6.624 10.461 -18.990 1.00 1.00 C +ATOM 711 CD2 LEU A 49 -6.992 8.504 -20.559 1.00 1.00 C +ATOM 712 H LEU A 49 -8.875 7.451 -19.590 1.00 1.00 H +ATOM 713 HA LEU A 49 -9.538 9.935 -18.166 1.00 1.00 H +ATOM 714 HB2 LEU A 49 -9.282 9.935 -21.127 1.00 1.00 H +ATOM 715 HB3 LEU A 49 -9.031 11.227 -19.970 1.00 1.00 H +ATOM 716 HG LEU A 49 -6.954 10.561 -21.086 1.00 1.00 H +ATOM 717 HD11 LEU A 49 -7.247 10.246 -18.120 1.00 1.00 H +ATOM 718 HD12 LEU A 49 -5.665 9.956 -18.884 1.00 1.00 H +ATOM 719 HD13 LEU A 49 -6.463 11.537 -19.062 1.00 1.00 H +ATOM 720 HD21 LEU A 49 -7.816 8.048 -21.108 1.00 1.00 H +ATOM 721 HD22 LEU A 49 -6.085 8.457 -21.161 1.00 1.00 H +ATOM 722 HD23 LEU A 49 -6.836 7.963 -19.624 1.00 1.00 H +ATOM 723 N ARG A 50 -11.914 9.789 -18.790 1.00 1.00 N +ATOM 724 CA ARG A 50 -13.338 9.608 -19.015 1.00 1.00 C +ATOM 725 C ARG A 50 -13.907 10.794 -19.797 1.00 1.00 C +ATOM 726 O ARG A 50 -13.812 11.937 -19.355 1.00 1.00 O +ATOM 727 CB ARG A 50 -14.092 9.472 -17.691 1.00 1.00 C +ATOM 728 CG ARG A 50 -15.488 8.886 -17.912 1.00 1.00 C +ATOM 729 CD ARG A 50 -16.534 9.995 -18.044 1.00 1.00 C +ATOM 730 NE ARG A 50 -17.108 10.308 -16.716 1.00 1.00 N +ATOM 731 CZ ARG A 50 -17.858 9.460 -16.002 1.00 1.00 C +ATOM 732 NH1 ARG A 50 -18.128 8.238 -16.483 1.00 1.00 N +ATOM 733 NH2 ARG A 50 -18.335 9.830 -14.805 1.00 1.00 N +ATOM 734 H ARG A 50 -11.678 10.504 -18.131 1.00 1.00 H +ATOM 735 HA ARG A 50 -13.414 8.686 -19.591 1.00 1.00 H +ATOM 736 HB2 ARG A 50 -13.529 8.831 -17.012 1.00 1.00 H +ATOM 737 HB3 ARG A 50 -14.175 10.448 -17.212 1.00 1.00 H +ATOM 738 HG2 ARG A 50 -15.490 8.272 -18.813 1.00 1.00 H +ATOM 739 HG3 ARG A 50 -15.749 8.232 -17.080 1.00 1.00 H +ATOM 740 HD2 ARG A 50 -16.077 10.888 -18.472 1.00 1.00 H +ATOM 741 HD3 ARG A 50 -17.324 9.682 -18.726 1.00 1.00 H +ATOM 742 HE ARG A 50 -16.925 11.212 -16.328 1.00 1.00 H +ATOM 743 HH11 ARG A 50 -17.772 7.961 -17.374 1.00 1.00 H +ATOM 744 HH12 ARG A 50 -18.688 7.604 -15.949 1.00 1.00 H +ATOM 745 HH21 ARG A 50 -18.134 10.741 -14.447 1.00 1.00 H +ATOM 746 HH22 ARG A 50 -18.895 9.195 -14.273 1.00 1.00 H +ATOM 747 N TYR A 51 -14.487 10.480 -20.947 1.00 1.00 N +ATOM 748 CA TYR A 51 -15.071 11.505 -21.795 1.00 1.00 C +ATOM 749 C TYR A 51 -16.596 11.388 -21.825 1.00 1.00 C +ATOM 750 O TYR A 51 -17.183 10.668 -21.019 1.00 1.00 O +ATOM 751 CB TYR A 51 -14.524 11.251 -23.202 1.00 1.00 C +ATOM 752 CG TYR A 51 -13.088 11.738 -23.409 1.00 1.00 C +ATOM 753 CD1 TYR A 51 -12.100 11.373 -22.516 1.00 1.00 C +ATOM 754 CD2 TYR A 51 -12.781 12.541 -24.487 1.00 1.00 C +ATOM 755 CE1 TYR A 51 -10.750 11.831 -22.711 1.00 1.00 C +ATOM 756 CE2 TYR A 51 -11.431 13.000 -24.682 1.00 1.00 C +ATOM 757 CZ TYR A 51 -10.481 12.622 -23.784 1.00 1.00 C +ATOM 758 OH TYR A 51 -9.205 13.054 -23.969 1.00 1.00 O +ATOM 759 H TYR A 51 -14.560 9.548 -21.299 1.00 1.00 H +ATOM 760 HA TYR A 51 -14.796 12.477 -21.386 1.00 1.00 H +ATOM 761 HB2 TYR A 51 -14.567 10.181 -23.409 1.00 1.00 H +ATOM 762 HB3 TYR A 51 -15.171 11.743 -23.926 1.00 1.00 H +ATOM 763 HD1 TYR A 51 -12.343 10.738 -21.664 1.00 1.00 H +ATOM 764 HD2 TYR A 51 -13.562 12.829 -25.192 1.00 1.00 H +ATOM 765 HE1 TYR A 51 -9.960 11.551 -22.013 1.00 1.00 H +ATOM 766 HE2 TYR A 51 -11.173 13.635 -25.530 1.00 1.00 H +ATOM 767 HH TYR A 51 -8.696 12.997 -23.110 1.00 1.00 H +ATOM 768 N GLU A 52 -17.195 12.108 -22.763 1.00 1.00 N +ATOM 769 CA GLU A 52 -18.639 12.094 -22.909 1.00 1.00 C +ATOM 770 C GLU A 52 -19.113 10.719 -23.385 1.00 1.00 C +ATOM 771 O GLU A 52 -19.609 10.582 -24.502 1.00 1.00 O +ATOM 772 CB GLU A 52 -19.105 13.195 -23.864 1.00 1.00 C +ATOM 773 CG GLU A 52 -20.507 13.684 -23.496 1.00 1.00 C +ATOM 774 CD GLU A 52 -20.451 14.695 -22.348 1.00 1.00 C +ATOM 775 OE1 GLU A 52 -19.743 15.712 -22.521 1.00 1.00 O +ATOM 776 OE2 GLU A 52 -21.116 14.430 -21.324 1.00 1.00 O +ATOM 777 H GLU A 52 -16.710 12.691 -23.414 1.00 1.00 H +ATOM 778 HA GLU A 52 -19.033 12.296 -21.912 1.00 1.00 H +ATOM 779 HB2 GLU A 52 -18.405 14.030 -23.831 1.00 1.00 H +ATOM 780 HB3 GLU A 52 -19.105 12.818 -24.886 1.00 1.00 H +ATOM 781 HG2 GLU A 52 -20.977 14.142 -24.366 1.00 1.00 H +ATOM 782 HG3 GLU A 52 -21.129 12.836 -23.207 1.00 1.00 H +ATOM 783 N GLY A 53 -18.941 9.736 -22.513 1.00 1.00 N +ATOM 784 CA GLY A 53 -19.344 8.376 -22.831 1.00 1.00 C +ATOM 785 C GLY A 53 -18.247 7.647 -23.610 1.00 1.00 C +ATOM 786 O GLY A 53 -18.539 6.828 -24.479 1.00 1.00 O +ATOM 787 H GLY A 53 -18.536 9.855 -21.607 1.00 1.00 H +ATOM 788 HA2 GLY A 53 -19.564 7.835 -21.911 1.00 1.00 H +ATOM 789 HA3 GLY A 53 -20.262 8.392 -23.418 1.00 1.00 H +ATOM 790 N ARG A 54 -17.008 7.972 -23.270 1.00 1.00 N +ATOM 791 CA ARG A 54 -15.866 7.358 -23.926 1.00 1.00 C +ATOM 792 C ARG A 54 -14.674 7.296 -22.969 1.00 1.00 C +ATOM 793 O ARG A 54 -14.304 8.303 -22.368 1.00 1.00 O +ATOM 794 CB ARG A 54 -15.467 8.140 -25.178 1.00 1.00 C +ATOM 795 CG ARG A 54 -16.511 7.976 -26.284 1.00 1.00 C +ATOM 796 CD ARG A 54 -16.446 6.576 -26.896 1.00 1.00 C +ATOM 797 NE ARG A 54 -17.501 6.423 -27.925 1.00 1.00 N +ATOM 798 CZ ARG A 54 -17.323 6.686 -29.228 1.00 1.00 C +ATOM 799 NH1 ARG A 54 -16.132 7.113 -29.667 1.00 1.00 N +ATOM 800 NH2 ARG A 54 -18.335 6.519 -30.089 1.00 1.00 N +ATOM 801 H ARG A 54 -16.780 8.640 -22.562 1.00 1.00 H +ATOM 802 HA ARG A 54 -16.205 6.359 -24.197 1.00 1.00 H +ATOM 803 HB2 ARG A 54 -15.354 9.195 -24.933 1.00 1.00 H +ATOM 804 HB3 ARG A 54 -14.496 7.791 -25.536 1.00 1.00 H +ATOM 805 HG2 ARG A 54 -17.506 8.155 -25.878 1.00 1.00 H +ATOM 806 HG3 ARG A 54 -16.345 8.724 -27.060 1.00 1.00 H +ATOM 807 HD2 ARG A 54 -15.467 6.408 -27.341 1.00 1.00 H +ATOM 808 HD3 ARG A 54 -16.577 5.823 -26.118 1.00 1.00 H +ATOM 809 HE ARG A 54 -18.402 6.106 -27.630 1.00 1.00 H +ATOM 810 HH11 ARG A 54 -15.375 7.238 -29.025 1.00 1.00 H +ATOM 811 HH12 ARG A 54 -16.000 7.309 -30.640 1.00 1.00 H +ATOM 812 HH21 ARG A 54 -19.224 6.199 -29.759 1.00 1.00 H +ATOM 813 HH22 ARG A 54 -18.204 6.715 -31.060 1.00 1.00 H +ATOM 814 N VAL A 55 -14.107 6.104 -22.858 1.00 1.00 N +ATOM 815 CA VAL A 55 -12.964 5.897 -21.985 1.00 1.00 C +ATOM 816 C VAL A 55 -11.731 5.581 -22.832 1.00 1.00 C +ATOM 817 O VAL A 55 -11.736 4.629 -23.612 1.00 1.00 O +ATOM 818 CB VAL A 55 -13.280 4.808 -20.957 1.00 1.00 C +ATOM 819 CG1 VAL A 55 -12.000 4.270 -20.317 1.00 1.00 C +ATOM 820 CG2 VAL A 55 -14.251 5.323 -19.894 1.00 1.00 C +ATOM 821 H VAL A 55 -14.415 5.290 -23.352 1.00 1.00 H +ATOM 822 HA VAL A 55 -12.791 6.829 -21.446 1.00 1.00 H +ATOM 823 HB VAL A 55 -13.764 3.985 -21.482 1.00 1.00 H +ATOM 824 HG11 VAL A 55 -11.411 5.101 -19.929 1.00 1.00 H +ATOM 825 HG12 VAL A 55 -12.258 3.594 -19.501 1.00 1.00 H +ATOM 826 HG13 VAL A 55 -11.418 3.732 -21.066 1.00 1.00 H +ATOM 827 HG21 VAL A 55 -14.315 6.410 -19.956 1.00 1.00 H +ATOM 828 HG22 VAL A 55 -15.238 4.890 -20.062 1.00 1.00 H +ATOM 829 HG23 VAL A 55 -13.892 5.035 -18.906 1.00 1.00 H +ATOM 830 N TYR A 56 -10.702 6.396 -22.652 1.00 1.00 N +ATOM 831 CA TYR A 56 -9.464 6.215 -23.390 1.00 1.00 C +ATOM 832 C TYR A 56 -8.373 5.625 -22.493 1.00 1.00 C +ATOM 833 O TYR A 56 -8.289 5.956 -21.312 1.00 1.00 O +ATOM 834 CB TYR A 56 -9.036 7.612 -23.843 1.00 1.00 C +ATOM 835 CG TYR A 56 -9.867 8.173 -24.998 1.00 1.00 C +ATOM 836 CD1 TYR A 56 -10.180 7.372 -26.077 1.00 1.00 C +ATOM 837 CD2 TYR A 56 -10.304 9.482 -24.961 1.00 1.00 C +ATOM 838 CE1 TYR A 56 -10.964 7.900 -27.163 1.00 1.00 C +ATOM 839 CE2 TYR A 56 -11.086 10.010 -26.048 1.00 1.00 C +ATOM 840 CZ TYR A 56 -11.378 9.193 -27.096 1.00 1.00 C +ATOM 841 OH TYR A 56 -12.118 9.693 -28.121 1.00 1.00 O +ATOM 842 H TYR A 56 -10.706 7.168 -22.016 1.00 1.00 H +ATOM 843 HA TYR A 56 -9.660 5.526 -24.211 1.00 1.00 H +ATOM 844 HB2 TYR A 56 -9.101 8.293 -22.996 1.00 1.00 H +ATOM 845 HB3 TYR A 56 -7.989 7.579 -24.146 1.00 1.00 H +ATOM 846 HD1 TYR A 56 -9.836 6.337 -26.105 1.00 1.00 H +ATOM 847 HD2 TYR A 56 -10.056 10.115 -24.110 1.00 1.00 H +ATOM 848 HE1 TYR A 56 -11.219 7.277 -28.020 1.00 1.00 H +ATOM 849 HE2 TYR A 56 -11.438 11.043 -26.031 1.00 1.00 H +ATOM 850 HH TYR A 56 -12.570 8.948 -28.612 1.00 1.00 H +ATOM 851 N HIS A 57 -7.564 4.763 -23.090 1.00 1.00 N +ATOM 852 CA HIS A 57 -6.481 4.124 -22.361 1.00 1.00 C +ATOM 853 C HIS A 57 -5.141 4.515 -22.986 1.00 1.00 C +ATOM 854 O HIS A 57 -4.814 4.081 -24.089 1.00 1.00 O +ATOM 855 CB HIS A 57 -6.686 2.609 -22.300 1.00 1.00 C +ATOM 856 CG HIS A 57 -7.542 2.151 -21.143 1.00 1.00 C +ATOM 857 ND1 HIS A 57 -8.925 2.118 -21.201 1.00 1.00 N +ATOM 858 CD2 HIS A 57 -7.198 1.708 -19.901 1.00 1.00 C +ATOM 859 CE1 HIS A 57 -9.380 1.674 -20.039 1.00 1.00 C +ATOM 860 NE2 HIS A 57 -8.309 1.420 -19.234 1.00 1.00 N +ATOM 861 H HIS A 57 -7.638 4.499 -24.052 1.00 1.00 H +ATOM 862 HA HIS A 57 -6.523 4.506 -21.341 1.00 1.00 H +ATOM 863 HB2 HIS A 57 -7.145 2.277 -23.232 1.00 1.00 H +ATOM 864 HB3 HIS A 57 -5.713 2.124 -22.234 1.00 1.00 H +ATOM 865 HD1 HIS A 57 -9.484 2.384 -21.987 1.00 1.00 H +ATOM 866 HD2 HIS A 57 -6.182 1.606 -19.519 1.00 1.00 H +ATOM 867 HE1 HIS A 57 -10.428 1.534 -19.773 1.00 1.00 H +ATOM 868 N TYR A 58 -4.399 5.333 -22.252 1.00 1.00 N +ATOM 869 CA TYR A 58 -3.101 5.789 -22.720 1.00 1.00 C +ATOM 870 C TYR A 58 -2.027 5.574 -21.652 1.00 1.00 C +ATOM 871 O TYR A 58 -2.054 6.216 -20.601 1.00 1.00 O +ATOM 872 CB TYR A 58 -3.250 7.289 -22.983 1.00 1.00 C +ATOM 873 CG TYR A 58 -3.284 7.661 -24.466 1.00 1.00 C +ATOM 874 CD1 TYR A 58 -2.106 7.901 -25.144 1.00 1.00 C +ATOM 875 CD2 TYR A 58 -4.491 7.755 -25.127 1.00 1.00 C +ATOM 876 CE1 TYR A 58 -2.138 8.252 -26.540 1.00 1.00 C +ATOM 877 CE2 TYR A 58 -4.524 8.105 -26.523 1.00 1.00 C +ATOM 878 CZ TYR A 58 -3.345 8.335 -27.161 1.00 1.00 C +ATOM 879 OH TYR A 58 -3.375 8.667 -28.480 1.00 1.00 O +ATOM 880 H TYR A 58 -4.671 5.682 -21.355 1.00 1.00 H +ATOM 881 HA TYR A 58 -2.841 5.211 -23.607 1.00 1.00 H +ATOM 882 HB2 TYR A 58 -4.167 7.641 -22.510 1.00 1.00 H +ATOM 883 HB3 TYR A 58 -2.423 7.815 -22.505 1.00 1.00 H +ATOM 884 HD1 TYR A 58 -1.152 7.827 -24.622 1.00 1.00 H +ATOM 885 HD2 TYR A 58 -5.422 7.564 -24.592 1.00 1.00 H +ATOM 886 HE1 TYR A 58 -1.215 8.445 -27.088 1.00 1.00 H +ATOM 887 HE2 TYR A 58 -5.470 8.184 -27.057 1.00 1.00 H +ATOM 888 HH TYR A 58 -4.142 8.210 -28.929 1.00 1.00 H +ATOM 889 N ARG A 59 -1.106 4.671 -21.956 1.00 1.00 N +ATOM 890 CA ARG A 59 -0.025 4.365 -21.035 1.00 1.00 C +ATOM 891 C ARG A 59 1.041 5.461 -21.084 1.00 1.00 C +ATOM 892 O ARG A 59 1.379 5.957 -22.159 1.00 1.00 O +ATOM 893 CB ARG A 59 0.620 3.019 -21.372 1.00 1.00 C +ATOM 894 CG ARG A 59 0.102 1.916 -20.449 1.00 1.00 C +ATOM 895 CD ARG A 59 -0.765 0.918 -21.220 1.00 1.00 C +ATOM 896 NE ARG A 59 -1.022 -0.279 -20.387 1.00 1.00 N +ATOM 897 CZ ARG A 59 -2.116 -0.446 -19.631 1.00 1.00 C +ATOM 898 NH1 ARG A 59 -3.060 0.504 -19.598 1.00 1.00 N +ATOM 899 NH2 ARG A 59 -2.264 -1.565 -18.907 1.00 1.00 N +ATOM 900 H ARG A 59 -1.092 4.155 -22.813 1.00 1.00 H +ATOM 901 HA ARG A 59 -0.499 4.323 -20.054 1.00 1.00 H +ATOM 902 HB2 ARG A 59 0.408 2.760 -22.410 1.00 1.00 H +ATOM 903 HB3 ARG A 59 1.703 3.099 -21.280 1.00 1.00 H +ATOM 904 HG2 ARG A 59 0.943 1.394 -19.992 1.00 1.00 H +ATOM 905 HG3 ARG A 59 -0.478 2.358 -19.639 1.00 1.00 H +ATOM 906 HD2 ARG A 59 -1.709 1.385 -21.502 1.00 1.00 H +ATOM 907 HD3 ARG A 59 -0.265 0.627 -22.145 1.00 1.00 H +ATOM 908 HE ARG A 59 -0.337 -1.007 -20.390 1.00 1.00 H +ATOM 909 HH11 ARG A 59 -2.947 1.339 -20.137 1.00 1.00 H +ATOM 910 HH12 ARG A 59 -3.875 0.379 -19.032 1.00 1.00 H +ATOM 911 HH21 ARG A 59 -1.560 -2.274 -18.933 1.00 1.00 H +ATOM 912 HH22 ARG A 59 -3.081 -1.689 -18.343 1.00 1.00 H +ATOM 913 N ILE A 60 1.542 5.809 -19.908 1.00 1.00 N +ATOM 914 CA ILE A 60 2.563 6.838 -19.804 1.00 1.00 C +ATOM 915 C ILE A 60 3.918 6.245 -20.192 1.00 1.00 C +ATOM 916 O ILE A 60 4.147 5.922 -21.356 1.00 1.00 O +ATOM 917 CB ILE A 60 2.543 7.471 -18.410 1.00 1.00 C +ATOM 918 CG1 ILE A 60 1.163 8.045 -18.088 1.00 1.00 C +ATOM 919 CG2 ILE A 60 3.647 8.521 -18.271 1.00 1.00 C +ATOM 920 CD1 ILE A 60 0.270 6.989 -17.431 1.00 1.00 C +ATOM 921 H ILE A 60 1.260 5.402 -19.039 1.00 1.00 H +ATOM 922 HA ILE A 60 2.310 7.621 -20.517 1.00 1.00 H +ATOM 923 HB ILE A 60 2.747 6.691 -17.678 1.00 1.00 H +ATOM 924 HG12 ILE A 60 1.267 8.902 -17.421 1.00 1.00 H +ATOM 925 HG13 ILE A 60 0.692 8.408 -19.002 1.00 1.00 H +ATOM 926 HG21 ILE A 60 3.949 8.865 -19.261 1.00 1.00 H +ATOM 927 HG22 ILE A 60 3.275 9.366 -17.691 1.00 1.00 H +ATOM 928 HG23 ILE A 60 4.505 8.081 -17.762 1.00 1.00 H +ATOM 929 HD11 ILE A 60 0.886 6.163 -17.076 1.00 1.00 H +ATOM 930 HD12 ILE A 60 -0.262 7.434 -16.590 1.00 1.00 H +ATOM 931 HD13 ILE A 60 -0.450 6.618 -18.160 1.00 1.00 H +ATOM 932 N ASN A 61 4.782 6.122 -19.194 1.00 1.00 N +ATOM 933 CA ASN A 61 6.108 5.574 -19.417 1.00 1.00 C +ATOM 934 C ASN A 61 7.063 6.113 -18.349 1.00 1.00 C +ATOM 935 O ASN A 61 6.884 7.225 -17.855 1.00 1.00 O +ATOM 936 CB ASN A 61 6.651 5.985 -20.787 1.00 1.00 C +ATOM 937 CG ASN A 61 8.086 6.503 -20.676 1.00 1.00 C +ATOM 938 OD1 ASN A 61 9.009 5.780 -20.337 1.00 1.00 O +ATOM 939 ND2 ASN A 61 8.222 7.790 -20.981 1.00 1.00 N +ATOM 940 H ASN A 61 4.587 6.388 -18.250 1.00 1.00 H +ATOM 941 HA ASN A 61 5.986 4.494 -19.358 1.00 1.00 H +ATOM 942 HB2 ASN A 61 6.619 5.132 -21.465 1.00 1.00 H +ATOM 943 HB3 ASN A 61 6.014 6.758 -21.218 1.00 1.00 H +ATOM 944 HD21 ASN A 61 7.423 8.327 -21.252 1.00 1.00 H +ATOM 945 HD22 ASN A 61 9.124 8.222 -20.937 1.00 1.00 H +ATOM 946 N THR A 62 8.057 5.299 -18.026 1.00 1.00 N +ATOM 947 CA THR A 62 9.041 5.680 -17.026 1.00 1.00 C +ATOM 948 C THR A 62 10.407 5.905 -17.680 1.00 1.00 C +ATOM 949 O THR A 62 10.794 5.169 -18.587 1.00 1.00 O +ATOM 950 CB THR A 62 9.057 4.600 -15.943 1.00 1.00 C +ATOM 951 OG1 THR A 62 7.683 4.418 -15.615 1.00 1.00 O +ATOM 952 CG2 THR A 62 9.690 5.088 -14.638 1.00 1.00 C +ATOM 953 H THR A 62 8.198 4.397 -18.433 1.00 1.00 H +ATOM 954 HA THR A 62 8.736 6.630 -16.590 1.00 1.00 H +ATOM 955 HB THR A 62 9.551 3.696 -16.301 1.00 1.00 H +ATOM 956 HG1 THR A 62 7.595 3.774 -14.855 1.00 1.00 H +ATOM 957 HG21 THR A 62 10.613 5.625 -14.861 1.00 1.00 H +ATOM 958 HG22 THR A 62 8.997 5.755 -14.125 1.00 1.00 H +ATOM 959 HG23 THR A 62 9.911 4.234 -13.999 1.00 1.00 H +ATOM 960 N ALA A 63 11.099 6.924 -17.194 1.00 1.00 N +ATOM 961 CA ALA A 63 12.412 7.256 -17.719 1.00 1.00 C +ATOM 962 C ALA A 63 13.437 6.250 -17.192 1.00 1.00 C +ATOM 963 O ALA A 63 13.141 5.479 -16.280 1.00 1.00 O +ATOM 964 CB ALA A 63 12.764 8.696 -17.345 1.00 1.00 C +ATOM 965 H ALA A 63 10.777 7.519 -16.456 1.00 1.00 H +ATOM 966 HA ALA A 63 12.365 7.177 -18.806 1.00 1.00 H +ATOM 967 HB1 ALA A 63 11.899 9.174 -16.886 1.00 1.00 H +ATOM 968 HB2 ALA A 63 13.595 8.697 -16.640 1.00 1.00 H +ATOM 969 HB3 ALA A 63 13.049 9.247 -18.242 1.00 1.00 H +ATOM 970 N SER A 64 14.619 6.290 -17.787 1.00 1.00 N +ATOM 971 CA SER A 64 15.689 5.391 -17.388 1.00 1.00 C +ATOM 972 C SER A 64 15.937 5.510 -15.882 1.00 1.00 C +ATOM 973 O SER A 64 16.548 4.629 -15.280 1.00 1.00 O +ATOM 974 CB SER A 64 16.975 5.686 -18.162 1.00 1.00 C +ATOM 975 OG SER A 64 17.343 4.608 -19.018 1.00 1.00 O +ATOM 976 H SER A 64 14.851 6.920 -18.528 1.00 1.00 H +ATOM 977 HA SER A 64 15.336 4.392 -17.639 1.00 1.00 H +ATOM 978 HB2 SER A 64 16.841 6.591 -18.757 1.00 1.00 H +ATOM 979 HB3 SER A 64 17.784 5.884 -17.460 1.00 1.00 H +ATOM 980 HG SER A 64 16.531 4.242 -19.475 1.00 1.00 H +ATOM 981 N ASP A 65 15.452 6.606 -15.318 1.00 1.00 N +ATOM 982 CA ASP A 65 15.614 6.851 -13.896 1.00 1.00 C +ATOM 983 C ASP A 65 14.599 6.008 -13.119 1.00 1.00 C +ATOM 984 O ASP A 65 14.968 5.273 -12.206 1.00 1.00 O +ATOM 985 CB ASP A 65 15.363 8.322 -13.558 1.00 1.00 C +ATOM 986 CG ASP A 65 16.151 9.323 -14.406 1.00 1.00 C +ATOM 987 OD1 ASP A 65 17.309 8.993 -14.743 1.00 1.00 O +ATOM 988 OD2 ASP A 65 15.578 10.395 -14.698 1.00 1.00 O +ATOM 989 H ASP A 65 14.956 7.318 -15.817 1.00 1.00 H +ATOM 990 HA ASP A 65 16.643 6.574 -13.673 1.00 1.00 H +ATOM 991 HB2 ASP A 65 14.299 8.529 -13.672 1.00 1.00 H +ATOM 992 HB3 ASP A 65 15.608 8.485 -12.510 1.00 1.00 H +ATOM 993 N GLY A 66 13.342 6.144 -13.511 1.00 1.00 N +ATOM 994 CA GLY A 66 12.271 5.404 -12.864 1.00 1.00 C +ATOM 995 C GLY A 66 11.057 6.303 -12.615 1.00 1.00 C +ATOM 996 O GLY A 66 10.021 5.835 -12.147 1.00 1.00 O +ATOM 997 H GLY A 66 13.050 6.745 -14.256 1.00 1.00 H +ATOM 998 HA2 GLY A 66 11.981 4.558 -13.486 1.00 1.00 H +ATOM 999 HA3 GLY A 66 12.626 4.998 -11.918 1.00 1.00 H +ATOM 1000 N LYS A 67 11.226 7.576 -12.940 1.00 1.00 N +ATOM 1001 CA LYS A 67 10.157 8.543 -12.758 1.00 1.00 C +ATOM 1002 C LYS A 67 9.170 8.431 -13.920 1.00 1.00 C +ATOM 1003 O LYS A 67 9.461 7.784 -14.926 1.00 1.00 O +ATOM 1004 CB LYS A 67 10.732 9.948 -12.572 1.00 1.00 C +ATOM 1005 CG LYS A 67 12.151 10.040 -13.139 1.00 1.00 C +ATOM 1006 CD LYS A 67 13.183 10.160 -12.016 1.00 1.00 C +ATOM 1007 CE LYS A 67 13.415 8.808 -11.337 1.00 1.00 C +ATOM 1008 NZ LYS A 67 12.450 8.610 -10.233 1.00 1.00 N +ATOM 1009 H LYS A 67 12.073 7.948 -13.321 1.00 1.00 H +ATOM 1010 HA LYS A 67 9.637 8.284 -11.836 1.00 1.00 H +ATOM 1011 HB2 LYS A 67 10.091 10.677 -13.069 1.00 1.00 H +ATOM 1012 HB3 LYS A 67 10.743 10.205 -11.513 1.00 1.00 H +ATOM 1013 HG2 LYS A 67 12.364 9.157 -13.740 1.00 1.00 H +ATOM 1014 HG3 LYS A 67 12.227 10.902 -13.801 1.00 1.00 H +ATOM 1015 HD2 LYS A 67 14.124 10.534 -12.420 1.00 1.00 H +ATOM 1016 HD3 LYS A 67 12.841 10.886 -11.278 1.00 1.00 H +ATOM 1017 HE2 LYS A 67 13.309 8.006 -12.068 1.00 1.00 H +ATOM 1018 HE3 LYS A 67 14.433 8.757 -10.952 1.00 1.00 H +ATOM 1019 HZ1 LYS A 67 11.900 9.438 -10.118 1.00 1.00 H +ATOM 1020 HZ2 LYS A 67 11.851 7.839 -10.446 1.00 1.00 H +ATOM 1021 HZ3 LYS A 67 12.948 8.422 -9.385 1.00 1.00 H +ATOM 1022 N LEU A 68 8.023 9.071 -13.746 1.00 1.00 N +ATOM 1023 CA LEU A 68 6.991 9.052 -14.769 1.00 1.00 C +ATOM 1024 C LEU A 68 7.025 10.369 -15.548 1.00 1.00 C +ATOM 1025 O LEU A 68 6.809 11.436 -14.977 1.00 1.00 O +ATOM 1026 CB LEU A 68 5.628 8.740 -14.148 1.00 1.00 C +ATOM 1027 CG LEU A 68 5.562 7.493 -13.263 1.00 1.00 C +ATOM 1028 CD1 LEU A 68 4.775 7.771 -11.982 1.00 1.00 C +ATOM 1029 CD2 LEU A 68 4.997 6.300 -14.038 1.00 1.00 C +ATOM 1030 H LEU A 68 7.794 9.595 -12.925 1.00 1.00 H +ATOM 1031 HA LEU A 68 7.227 8.238 -15.455 1.00 1.00 H +ATOM 1032 HB2 LEU A 68 5.316 9.598 -13.555 1.00 1.00 H +ATOM 1033 HB3 LEU A 68 4.902 8.627 -14.955 1.00 1.00 H +ATOM 1034 HG LEU A 68 6.578 7.232 -12.966 1.00 1.00 H +ATOM 1035 HD11 LEU A 68 4.230 8.708 -12.087 1.00 1.00 H +ATOM 1036 HD12 LEU A 68 4.068 6.958 -11.807 1.00 1.00 H +ATOM 1037 HD13 LEU A 68 5.462 7.841 -11.141 1.00 1.00 H +ATOM 1038 HD21 LEU A 68 5.358 6.330 -15.066 1.00 1.00 H +ATOM 1039 HD22 LEU A 68 5.324 5.373 -13.566 1.00 1.00 H +ATOM 1040 HD23 LEU A 68 3.909 6.347 -14.033 1.00 1.00 H +ATOM 1041 N TYR A 69 7.302 10.249 -16.837 1.00 1.00 N +ATOM 1042 CA TYR A 69 7.367 11.416 -17.701 1.00 1.00 C +ATOM 1043 C TYR A 69 6.786 11.111 -19.083 1.00 1.00 C +ATOM 1044 O TYR A 69 7.350 10.318 -19.835 1.00 1.00 O +ATOM 1045 CB TYR A 69 8.853 11.748 -17.848 1.00 1.00 C +ATOM 1046 CG TYR A 69 9.518 11.104 -19.066 1.00 1.00 C +ATOM 1047 CD1 TYR A 69 9.432 11.714 -20.300 1.00 1.00 C +ATOM 1048 CD2 TYR A 69 10.202 9.914 -18.930 1.00 1.00 C +ATOM 1049 CE1 TYR A 69 10.058 11.108 -21.448 1.00 1.00 C +ATOM 1050 CE2 TYR A 69 10.827 9.308 -20.078 1.00 1.00 C +ATOM 1051 CZ TYR A 69 10.724 9.935 -21.280 1.00 1.00 C +ATOM 1052 OH TYR A 69 11.315 9.363 -22.363 1.00 1.00 O +ATOM 1053 H TYR A 69 7.478 9.376 -17.293 1.00 1.00 H +ATOM 1054 HA TYR A 69 6.783 12.210 -17.236 1.00 1.00 H +ATOM 1055 HB2 TYR A 69 8.968 12.830 -17.913 1.00 1.00 H +ATOM 1056 HB3 TYR A 69 9.379 11.425 -16.948 1.00 1.00 H +ATOM 1057 HD1 TYR A 69 8.892 12.656 -20.408 1.00 1.00 H +ATOM 1058 HD2 TYR A 69 10.269 9.432 -17.955 1.00 1.00 H +ATOM 1059 HE1 TYR A 69 9.998 11.580 -22.429 1.00 1.00 H +ATOM 1060 HE2 TYR A 69 11.371 8.368 -19.984 1.00 1.00 H +ATOM 1061 HH TYR A 69 11.130 8.381 -22.374 1.00 1.00 H +ATOM 1062 N VAL A 70 5.665 11.754 -19.374 1.00 1.00 N +ATOM 1063 CA VAL A 70 5.003 11.561 -20.652 1.00 1.00 C +ATOM 1064 C VAL A 70 5.700 12.409 -21.717 1.00 1.00 C +ATOM 1065 O VAL A 70 5.652 12.086 -22.903 1.00 1.00 O +ATOM 1066 CB VAL A 70 3.512 11.876 -20.520 1.00 1.00 C +ATOM 1067 CG1 VAL A 70 2.735 11.372 -21.738 1.00 1.00 C +ATOM 1068 CG2 VAL A 70 2.941 11.292 -19.226 1.00 1.00 C +ATOM 1069 H VAL A 70 5.214 12.397 -18.756 1.00 1.00 H +ATOM 1070 HA VAL A 70 5.103 10.509 -20.919 1.00 1.00 H +ATOM 1071 HB VAL A 70 3.400 12.959 -20.477 1.00 1.00 H +ATOM 1072 HG11 VAL A 70 3.189 10.450 -22.103 1.00 1.00 H +ATOM 1073 HG12 VAL A 70 1.700 11.179 -21.456 1.00 1.00 H +ATOM 1074 HG13 VAL A 70 2.762 12.126 -22.523 1.00 1.00 H +ATOM 1075 HG21 VAL A 70 3.758 10.993 -18.570 1.00 1.00 H +ATOM 1076 HG22 VAL A 70 2.329 12.045 -18.726 1.00 1.00 H +ATOM 1077 HG23 VAL A 70 2.324 10.423 -19.460 1.00 1.00 H +ATOM 1078 N SER A 71 6.333 13.478 -21.256 1.00 1.00 N +ATOM 1079 CA SER A 71 7.039 14.374 -22.155 1.00 1.00 C +ATOM 1080 C SER A 71 8.443 14.656 -21.615 1.00 1.00 C +ATOM 1081 O SER A 71 8.620 14.873 -20.417 1.00 1.00 O +ATOM 1082 CB SER A 71 6.270 15.684 -22.344 1.00 1.00 C +ATOM 1083 OG SER A 71 6.471 16.239 -23.641 1.00 1.00 O +ATOM 1084 H SER A 71 6.368 13.734 -20.289 1.00 1.00 H +ATOM 1085 HA SER A 71 7.095 13.847 -23.106 1.00 1.00 H +ATOM 1086 HB2 SER A 71 5.207 15.505 -22.185 1.00 1.00 H +ATOM 1087 HB3 SER A 71 6.589 16.403 -21.588 1.00 1.00 H +ATOM 1088 HG SER A 71 6.474 15.510 -24.327 1.00 1.00 H +ATOM 1089 N SER A 72 9.406 14.645 -22.526 1.00 1.00 N +ATOM 1090 CA SER A 72 10.789 14.897 -22.156 1.00 1.00 C +ATOM 1091 C SER A 72 10.902 16.246 -21.444 1.00 1.00 C +ATOM 1092 O SER A 72 11.898 16.517 -20.776 1.00 1.00 O +ATOM 1093 CB SER A 72 11.701 14.867 -23.383 1.00 1.00 C +ATOM 1094 OG SER A 72 11.279 15.787 -24.386 1.00 1.00 O +ATOM 1095 H SER A 72 9.253 14.469 -23.499 1.00 1.00 H +ATOM 1096 HA SER A 72 11.059 14.084 -21.482 1.00 1.00 H +ATOM 1097 HB2 SER A 72 12.722 15.102 -23.082 1.00 1.00 H +ATOM 1098 HB3 SER A 72 11.716 13.859 -23.800 1.00 1.00 H +ATOM 1099 HG SER A 72 11.348 16.724 -24.042 1.00 1.00 H +ATOM 1100 N GLU A 73 9.868 17.057 -21.611 1.00 1.00 N +ATOM 1101 CA GLU A 73 9.839 18.371 -20.992 1.00 1.00 C +ATOM 1102 C GLU A 73 8.987 18.341 -19.721 1.00 1.00 C +ATOM 1103 O GLU A 73 8.958 19.312 -18.966 1.00 1.00 O +ATOM 1104 CB GLU A 73 9.325 19.428 -21.973 1.00 1.00 C +ATOM 1105 CG GLU A 73 8.625 18.774 -23.165 1.00 1.00 C +ATOM 1106 CD GLU A 73 8.115 19.830 -24.147 1.00 1.00 C +ATOM 1107 OE1 GLU A 73 8.934 20.271 -24.983 1.00 1.00 O +ATOM 1108 OE2 GLU A 73 6.918 20.174 -24.042 1.00 1.00 O +ATOM 1109 H GLU A 73 9.061 16.828 -22.156 1.00 1.00 H +ATOM 1110 HA GLU A 73 10.875 18.594 -20.737 1.00 1.00 H +ATOM 1111 HB2 GLU A 73 8.634 20.097 -21.461 1.00 1.00 H +ATOM 1112 HB3 GLU A 73 10.158 20.038 -22.324 1.00 1.00 H +ATOM 1113 HG2 GLU A 73 9.314 18.102 -23.673 1.00 1.00 H +ATOM 1114 HG3 GLU A 73 7.789 18.168 -22.813 1.00 1.00 H +ATOM 1115 N SER A 74 8.313 17.218 -19.526 1.00 1.00 N +ATOM 1116 CA SER A 74 7.463 17.049 -18.360 1.00 1.00 C +ATOM 1117 C SER A 74 7.717 15.683 -17.719 1.00 1.00 C +ATOM 1118 O SER A 74 7.293 14.657 -18.248 1.00 1.00 O +ATOM 1119 CB SER A 74 5.985 17.194 -18.731 1.00 1.00 C +ATOM 1120 OG SER A 74 5.797 18.052 -19.853 1.00 1.00 O +ATOM 1121 H SER A 74 8.341 16.434 -20.145 1.00 1.00 H +ATOM 1122 HA SER A 74 7.745 17.850 -17.678 1.00 1.00 H +ATOM 1123 HB2 SER A 74 5.568 16.211 -18.953 1.00 1.00 H +ATOM 1124 HB3 SER A 74 5.434 17.588 -17.876 1.00 1.00 H +ATOM 1125 HG SER A 74 6.662 18.493 -20.093 1.00 1.00 H +ATOM 1126 N ARG A 75 8.409 15.714 -16.590 1.00 1.00 N +ATOM 1127 CA ARG A 75 8.726 14.491 -15.872 1.00 1.00 C +ATOM 1128 C ARG A 75 8.369 14.638 -14.392 1.00 1.00 C +ATOM 1129 O ARG A 75 8.561 15.701 -13.805 1.00 1.00 O +ATOM 1130 CB ARG A 75 10.212 14.148 -15.999 1.00 1.00 C +ATOM 1131 CG ARG A 75 10.920 15.114 -16.950 1.00 1.00 C +ATOM 1132 CD ARG A 75 12.232 14.518 -17.461 1.00 1.00 C +ATOM 1133 NE ARG A 75 12.963 15.520 -18.270 1.00 1.00 N +ATOM 1134 CZ ARG A 75 14.182 15.323 -18.788 1.00 1.00 C +ATOM 1135 NH1 ARG A 75 14.816 14.160 -18.585 1.00 1.00 N +ATOM 1136 NH2 ARG A 75 14.768 16.288 -19.509 1.00 1.00 N +ATOM 1137 H ARG A 75 8.751 16.554 -16.167 1.00 1.00 H +ATOM 1138 HA ARG A 75 8.118 13.723 -16.349 1.00 1.00 H +ATOM 1139 HB2 ARG A 75 10.683 14.187 -15.017 1.00 1.00 H +ATOM 1140 HB3 ARG A 75 10.322 13.127 -16.364 1.00 1.00 H +ATOM 1141 HG2 ARG A 75 10.267 15.344 -17.792 1.00 1.00 H +ATOM 1142 HG3 ARG A 75 11.120 16.054 -16.436 1.00 1.00 H +ATOM 1143 HD2 ARG A 75 12.848 14.198 -16.620 1.00 1.00 H +ATOM 1144 HD3 ARG A 75 12.028 13.632 -18.063 1.00 1.00 H +ATOM 1145 HE ARG A 75 12.517 16.399 -18.440 1.00 1.00 H +ATOM 1146 HH11 ARG A 75 14.379 13.440 -18.047 1.00 1.00 H +ATOM 1147 HH12 ARG A 75 15.727 14.013 -18.971 1.00 1.00 H +ATOM 1148 HH21 ARG A 75 14.296 17.157 -19.659 1.00 1.00 H +ATOM 1149 HH22 ARG A 75 15.679 16.141 -19.895 1.00 1.00 H +ATOM 1150 N PHE A 76 7.853 13.553 -13.831 1.00 1.00 N +ATOM 1151 CA PHE A 76 7.466 13.548 -12.431 1.00 1.00 C +ATOM 1152 C PHE A 76 7.868 12.235 -11.756 1.00 1.00 C +ATOM 1153 O PHE A 76 7.864 11.181 -12.389 1.00 1.00 O +ATOM 1154 CB PHE A 76 5.941 13.683 -12.386 1.00 1.00 C +ATOM 1155 CG PHE A 76 5.370 14.629 -13.445 1.00 1.00 C +ATOM 1156 CD1 PHE A 76 5.244 15.955 -13.176 1.00 1.00 C +ATOM 1157 CD2 PHE A 76 4.988 14.141 -14.655 1.00 1.00 C +ATOM 1158 CE1 PHE A 76 4.714 16.834 -14.157 1.00 1.00 C +ATOM 1159 CE2 PHE A 76 4.458 15.020 -15.639 1.00 1.00 C +ATOM 1160 CZ PHE A 76 4.331 16.346 -15.368 1.00 1.00 C +ATOM 1161 H PHE A 76 7.697 12.693 -14.316 1.00 1.00 H +ATOM 1162 HA PHE A 76 7.983 14.376 -11.948 1.00 1.00 H +ATOM 1163 HB2 PHE A 76 5.496 12.697 -12.516 1.00 1.00 H +ATOM 1164 HB3 PHE A 76 5.647 14.038 -11.399 1.00 1.00 H +ATOM 1165 HD1 PHE A 76 5.551 16.345 -12.205 1.00 1.00 H +ATOM 1166 HD2 PHE A 76 5.089 13.079 -14.873 1.00 1.00 H +ATOM 1167 HE1 PHE A 76 4.613 17.896 -13.940 1.00 1.00 H +ATOM 1168 HE2 PHE A 76 4.151 14.629 -16.609 1.00 1.00 H +ATOM 1169 HZ PHE A 76 3.925 17.019 -16.123 1.00 1.00 H +ATOM 1170 N ASN A 77 8.207 12.343 -10.480 1.00 1.00 N +ATOM 1171 CA ASN A 77 8.613 11.178 -9.712 1.00 1.00 C +ATOM 1172 C ASN A 77 7.376 10.528 -9.087 1.00 1.00 C +ATOM 1173 O ASN A 77 7.361 9.324 -8.840 1.00 1.00 O +ATOM 1174 CB ASN A 77 9.566 11.567 -8.581 1.00 1.00 C +ATOM 1175 CG ASN A 77 10.998 11.722 -9.098 1.00 1.00 C +ATOM 1176 OD1 ASN A 77 11.743 10.764 -9.232 1.00 1.00 O +ATOM 1177 ND2 ASN A 77 11.339 12.976 -9.379 1.00 1.00 N +ATOM 1178 H ASN A 77 8.208 13.203 -9.971 1.00 1.00 H +ATOM 1179 HA ASN A 77 9.110 10.522 -10.427 1.00 1.00 H +ATOM 1180 HB2 ASN A 77 9.235 12.501 -8.128 1.00 1.00 H +ATOM 1181 HB3 ASN A 77 9.537 10.808 -7.799 1.00 1.00 H +ATOM 1182 HD21 ASN A 77 10.679 13.715 -9.247 1.00 1.00 H +ATOM 1183 HD22 ASN A 77 12.255 13.178 -9.724 1.00 1.00 H +ATOM 1184 N THR A 78 6.370 11.356 -8.848 1.00 1.00 N +ATOM 1185 CA THR A 78 5.132 10.879 -8.257 1.00 1.00 C +ATOM 1186 C THR A 78 3.981 10.994 -9.259 1.00 1.00 C +ATOM 1187 O THR A 78 3.855 12.003 -9.950 1.00 1.00 O +ATOM 1188 CB THR A 78 4.893 11.661 -6.964 1.00 1.00 C +ATOM 1189 OG1 THR A 78 4.908 13.026 -7.377 1.00 1.00 O +ATOM 1190 CG2 THR A 78 6.066 11.553 -5.988 1.00 1.00 C +ATOM 1191 H THR A 78 6.391 12.336 -9.053 1.00 1.00 H +ATOM 1192 HA THR A 78 5.248 9.820 -8.025 1.00 1.00 H +ATOM 1193 HB THR A 78 3.961 11.352 -6.489 1.00 1.00 H +ATOM 1194 HG1 THR A 78 4.752 13.622 -6.589 1.00 1.00 H +ATOM 1195 HG21 THR A 78 7.004 11.614 -6.540 1.00 1.00 H +ATOM 1196 HG22 THR A 78 6.016 12.370 -5.268 1.00 1.00 H +ATOM 1197 HG23 THR A 78 6.015 10.601 -5.463 1.00 1.00 H +ATOM 1198 N LEU A 79 3.172 9.946 -9.306 1.00 1.00 N +ATOM 1199 CA LEU A 79 2.036 9.918 -10.212 1.00 1.00 C +ATOM 1200 C LEU A 79 1.226 11.206 -10.049 1.00 1.00 C +ATOM 1201 O LEU A 79 0.849 11.836 -11.035 1.00 1.00 O +ATOM 1202 CB LEU A 79 1.215 8.645 -10.003 1.00 1.00 C +ATOM 1203 CG LEU A 79 1.006 8.212 -8.551 1.00 1.00 C +ATOM 1204 CD1 LEU A 79 -0.340 7.504 -8.378 1.00 1.00 C +ATOM 1205 CD2 LEU A 79 2.173 7.352 -8.060 1.00 1.00 C +ATOM 1206 H LEU A 79 3.281 9.130 -8.740 1.00 1.00 H +ATOM 1207 HA LEU A 79 2.430 9.885 -11.228 1.00 1.00 H +ATOM 1208 HB2 LEU A 79 0.239 8.786 -10.464 1.00 1.00 H +ATOM 1209 HB3 LEU A 79 1.704 7.830 -10.538 1.00 1.00 H +ATOM 1210 HG LEU A 79 0.981 9.106 -7.928 1.00 1.00 H +ATOM 1211 HD11 LEU A 79 -0.953 7.672 -9.262 1.00 1.00 H +ATOM 1212 HD12 LEU A 79 -0.172 6.435 -8.247 1.00 1.00 H +ATOM 1213 HD13 LEU A 79 -0.848 7.902 -7.499 1.00 1.00 H +ATOM 1214 HD21 LEU A 79 2.836 7.129 -8.896 1.00 1.00 H +ATOM 1215 HD22 LEU A 79 2.727 7.895 -7.294 1.00 1.00 H +ATOM 1216 HD23 LEU A 79 1.789 6.423 -7.641 1.00 1.00 H +ATOM 1217 N ALA A 80 0.983 11.558 -8.795 1.00 1.00 N +ATOM 1218 CA ALA A 80 0.224 12.760 -8.488 1.00 1.00 C +ATOM 1219 C ALA A 80 0.791 13.932 -9.290 1.00 1.00 C +ATOM 1220 O ALA A 80 0.089 14.529 -10.104 1.00 1.00 O +ATOM 1221 CB ALA A 80 0.257 13.014 -6.980 1.00 1.00 C +ATOM 1222 H ALA A 80 1.294 11.040 -7.998 1.00 1.00 H +ATOM 1223 HA ALA A 80 -0.808 12.586 -8.793 1.00 1.00 H +ATOM 1224 HB1 ALA A 80 0.043 12.085 -6.452 1.00 1.00 H +ATOM 1225 HB2 ALA A 80 1.244 13.376 -6.694 1.00 1.00 H +ATOM 1226 HB3 ALA A 80 -0.493 13.760 -6.720 1.00 1.00 H +ATOM 1227 N GLU A 81 2.056 14.230 -9.030 1.00 1.00 N +ATOM 1228 CA GLU A 81 2.724 15.321 -9.717 1.00 1.00 C +ATOM 1229 C GLU A 81 2.451 15.249 -11.221 1.00 1.00 C +ATOM 1230 O GLU A 81 2.368 16.279 -11.890 1.00 1.00 O +ATOM 1231 CB GLU A 81 4.228 15.309 -9.434 1.00 1.00 C +ATOM 1232 CG GLU A 81 4.594 16.351 -8.373 1.00 1.00 C +ATOM 1233 CD GLU A 81 5.009 17.672 -9.024 1.00 1.00 C +ATOM 1234 OE1 GLU A 81 4.459 17.969 -10.107 1.00 1.00 O +ATOM 1235 OE2 GLU A 81 5.866 18.355 -8.423 1.00 1.00 O +ATOM 1236 H GLU A 81 2.620 13.740 -8.365 1.00 1.00 H +ATOM 1237 HA GLU A 81 2.291 16.232 -9.304 1.00 1.00 H +ATOM 1238 HB2 GLU A 81 4.529 14.319 -9.093 1.00 1.00 H +ATOM 1239 HB3 GLU A 81 4.778 15.512 -10.352 1.00 1.00 H +ATOM 1240 HG2 GLU A 81 3.743 16.517 -7.713 1.00 1.00 H +ATOM 1241 HG3 GLU A 81 5.408 15.975 -7.754 1.00 1.00 H +ATOM 1242 N LEU A 82 2.317 14.025 -11.708 1.00 1.00 N +ATOM 1243 CA LEU A 82 2.053 13.806 -13.119 1.00 1.00 C +ATOM 1244 C LEU A 82 0.735 14.485 -13.500 1.00 1.00 C +ATOM 1245 O LEU A 82 0.654 15.159 -14.526 1.00 1.00 O +ATOM 1246 CB LEU A 82 2.091 12.312 -13.446 1.00 1.00 C +ATOM 1247 CG LEU A 82 2.291 11.952 -14.920 1.00 1.00 C +ATOM 1248 CD1 LEU A 82 3.367 10.877 -15.081 1.00 1.00 C +ATOM 1249 CD2 LEU A 82 0.968 11.540 -15.568 1.00 1.00 C +ATOM 1250 H LEU A 82 2.384 13.194 -11.156 1.00 1.00 H +ATOM 1251 HA LEU A 82 2.860 14.278 -13.680 1.00 1.00 H +ATOM 1252 HB2 LEU A 82 2.894 11.855 -12.869 1.00 1.00 H +ATOM 1253 HB3 LEU A 82 1.158 11.862 -13.106 1.00 1.00 H +ATOM 1254 HG LEU A 82 2.643 12.841 -15.443 1.00 1.00 H +ATOM 1255 HD11 LEU A 82 3.444 10.299 -14.160 1.00 1.00 H +ATOM 1256 HD12 LEU A 82 3.100 10.215 -15.904 1.00 1.00 H +ATOM 1257 HD13 LEU A 82 4.325 11.352 -15.292 1.00 1.00 H +ATOM 1258 HD21 LEU A 82 0.211 12.297 -15.361 1.00 1.00 H +ATOM 1259 HD22 LEU A 82 1.104 11.447 -16.645 1.00 1.00 H +ATOM 1260 HD23 LEU A 82 0.646 10.582 -15.158 1.00 1.00 H +ATOM 1261 N VAL A 83 -0.263 14.284 -12.653 1.00 1.00 N +ATOM 1262 CA VAL A 83 -1.573 14.868 -12.887 1.00 1.00 C +ATOM 1263 C VAL A 83 -1.491 16.384 -12.690 1.00 1.00 C +ATOM 1264 O VAL A 83 -2.065 17.147 -13.467 1.00 1.00 O +ATOM 1265 CB VAL A 83 -2.612 14.203 -11.982 1.00 1.00 C +ATOM 1266 CG1 VAL A 83 -3.832 15.106 -11.792 1.00 1.00 C +ATOM 1267 CG2 VAL A 83 -3.022 12.837 -12.535 1.00 1.00 C +ATOM 1268 H VAL A 83 -0.188 13.735 -11.820 1.00 1.00 H +ATOM 1269 HA VAL A 83 -1.844 14.664 -13.921 1.00 1.00 H +ATOM 1270 HB VAL A 83 -2.156 14.046 -11.006 1.00 1.00 H +ATOM 1271 HG11 VAL A 83 -3.581 16.124 -12.093 1.00 1.00 H +ATOM 1272 HG12 VAL A 83 -4.655 14.738 -12.405 1.00 1.00 H +ATOM 1273 HG13 VAL A 83 -4.128 15.100 -10.743 1.00 1.00 H +ATOM 1274 HG21 VAL A 83 -2.333 12.542 -13.325 1.00 1.00 H +ATOM 1275 HG22 VAL A 83 -2.993 12.097 -11.734 1.00 1.00 H +ATOM 1276 HG23 VAL A 83 -4.033 12.896 -12.937 1.00 1.00 H +ATOM 1277 N HIS A 84 -0.777 16.777 -11.645 1.00 1.00 N +ATOM 1278 CA HIS A 84 -0.614 18.187 -11.338 1.00 1.00 C +ATOM 1279 C HIS A 84 -0.354 18.969 -12.627 1.00 1.00 C +ATOM 1280 O HIS A 84 -1.095 19.892 -12.957 1.00 1.00 O +ATOM 1281 CB HIS A 84 0.482 18.391 -10.289 1.00 1.00 C +ATOM 1282 CG HIS A 84 -0.019 18.944 -8.976 1.00 1.00 C +ATOM 1283 ND1 HIS A 84 -1.325 18.784 -8.544 1.00 1.00 N +ATOM 1284 CD2 HIS A 84 0.623 19.654 -8.005 1.00 1.00 C +ATOM 1285 CE1 HIS A 84 -1.451 19.376 -7.367 1.00 1.00 C +ATOM 1286 NE2 HIS A 84 -0.243 19.916 -7.034 1.00 1.00 N +ATOM 1287 H HIS A 84 -0.313 16.150 -11.019 1.00 1.00 H +ATOM 1288 HA HIS A 84 -1.556 18.522 -10.903 1.00 1.00 H +ATOM 1289 HB2 HIS A 84 0.977 17.437 -10.105 1.00 1.00 H +ATOM 1290 HB3 HIS A 84 1.235 19.067 -10.693 1.00 1.00 H +ATOM 1291 HD1 HIS A 84 -2.049 18.301 -9.038 1.00 1.00 H +ATOM 1292 HD2 HIS A 84 1.669 19.957 -8.024 1.00 1.00 H +ATOM 1293 HE1 HIS A 84 -2.360 19.423 -6.767 1.00 1.00 H +ATOM 1294 N HIS A 85 0.702 18.568 -13.320 1.00 1.00 N +ATOM 1295 CA HIS A 85 1.070 19.219 -14.565 1.00 1.00 C +ATOM 1296 C HIS A 85 0.001 18.940 -15.625 1.00 1.00 C +ATOM 1297 O HIS A 85 -0.464 19.857 -16.298 1.00 1.00 O +ATOM 1298 CB HIS A 85 2.470 18.793 -15.010 1.00 1.00 C +ATOM 1299 CG HIS A 85 2.805 19.166 -16.434 1.00 1.00 C +ATOM 1300 ND1 HIS A 85 3.106 20.461 -16.818 1.00 1.00 N +ATOM 1301 CD2 HIS A 85 2.882 18.403 -17.561 1.00 1.00 C +ATOM 1302 CE1 HIS A 85 3.351 20.466 -18.119 1.00 1.00 C +ATOM 1303 NE2 HIS A 85 3.212 19.189 -18.578 1.00 1.00 N +ATOM 1304 H HIS A 85 1.300 17.815 -13.043 1.00 1.00 H +ATOM 1305 HA HIS A 85 1.097 20.289 -14.364 1.00 1.00 H +ATOM 1306 HB2 HIS A 85 3.205 19.244 -14.344 1.00 1.00 H +ATOM 1307 HB3 HIS A 85 2.562 17.711 -14.898 1.00 1.00 H +ATOM 1308 HD1 HIS A 85 3.133 21.258 -16.214 1.00 1.00 H +ATOM 1309 HD2 HIS A 85 2.705 17.329 -17.617 1.00 1.00 H +ATOM 1310 HE1 HIS A 85 3.618 21.337 -18.718 1.00 1.00 H +ATOM 1311 N HIS A 86 -0.355 17.670 -15.740 1.00 1.00 N +ATOM 1312 CA HIS A 86 -1.360 17.258 -16.706 1.00 1.00 C +ATOM 1313 C HIS A 86 -2.741 17.713 -16.234 1.00 1.00 C +ATOM 1314 O HIS A 86 -3.761 17.239 -16.733 1.00 1.00 O +ATOM 1315 CB HIS A 86 -1.286 15.751 -16.958 1.00 1.00 C +ATOM 1316 CG HIS A 86 -0.001 15.299 -17.608 1.00 1.00 C +ATOM 1317 ND1 HIS A 86 0.805 16.148 -18.347 1.00 1.00 N +ATOM 1318 CD2 HIS A 86 0.611 14.079 -17.620 1.00 1.00 C +ATOM 1319 CE1 HIS A 86 1.850 15.460 -18.781 1.00 1.00 C +ATOM 1320 NE2 HIS A 86 1.728 14.178 -18.331 1.00 1.00 N +ATOM 1321 H HIS A 86 0.029 16.929 -15.188 1.00 1.00 H +ATOM 1322 HA HIS A 86 -1.120 17.764 -17.642 1.00 1.00 H +ATOM 1323 HB2 HIS A 86 -1.406 15.228 -16.008 1.00 1.00 H +ATOM 1324 HB3 HIS A 86 -2.124 15.457 -17.590 1.00 1.00 H +ATOM 1325 HD1 HIS A 86 0.627 17.117 -18.523 1.00 1.00 H +ATOM 1326 HD2 HIS A 86 0.243 13.178 -17.132 1.00 1.00 H +ATOM 1327 HE1 HIS A 86 2.665 15.850 -19.392 1.00 1.00 H +ATOM 1328 N SER A 87 -2.733 18.629 -15.276 1.00 1.00 N +ATOM 1329 CA SER A 87 -3.974 19.155 -14.731 1.00 1.00 C +ATOM 1330 C SER A 87 -4.433 20.363 -15.547 1.00 1.00 C +ATOM 1331 O SER A 87 -5.627 20.539 -15.783 1.00 1.00 O +ATOM 1332 CB SER A 87 -3.810 19.538 -13.259 1.00 1.00 C +ATOM 1333 OG SER A 87 -3.384 20.890 -13.104 1.00 1.00 O +ATOM 1334 H SER A 87 -1.901 19.011 -14.874 1.00 1.00 H +ATOM 1335 HA SER A 87 -4.693 18.339 -14.815 1.00 1.00 H +ATOM 1336 HB2 SER A 87 -4.755 19.395 -12.739 1.00 1.00 H +ATOM 1337 HB3 SER A 87 -3.083 18.874 -12.789 1.00 1.00 H +ATOM 1338 HG SER A 87 -4.068 21.510 -13.492 1.00 1.00 H +ATOM 1339 N THR A 88 -3.461 21.166 -15.956 1.00 1.00 N +ATOM 1340 CA THR A 88 -3.751 22.353 -16.741 1.00 1.00 C +ATOM 1341 C THR A 88 -2.985 22.317 -18.066 1.00 1.00 C +ATOM 1342 O THR A 88 -3.385 22.962 -19.035 1.00 1.00 O +ATOM 1343 CB THR A 88 -3.425 23.578 -15.885 1.00 1.00 C +ATOM 1344 OG1 THR A 88 -4.615 23.803 -15.133 1.00 1.00 O +ATOM 1345 CG2 THR A 88 -3.265 24.850 -16.718 1.00 1.00 C +ATOM 1346 H THR A 88 -2.492 21.014 -15.761 1.00 1.00 H +ATOM 1347 HA THR A 88 -4.813 22.352 -16.986 1.00 1.00 H +ATOM 1348 HB THR A 88 -2.541 23.399 -15.272 1.00 1.00 H +ATOM 1349 HG1 THR A 88 -4.494 24.589 -14.527 1.00 1.00 H +ATOM 1350 HG21 THR A 88 -2.739 24.615 -17.645 1.00 1.00 H +ATOM 1351 HG22 THR A 88 -4.249 25.258 -16.953 1.00 1.00 H +ATOM 1352 HG23 THR A 88 -2.692 25.586 -16.153 1.00 1.00 H +ATOM 1353 N VAL A 89 -1.901 21.556 -18.065 1.00 1.00 N +ATOM 1354 CA VAL A 89 -1.076 21.428 -19.255 1.00 1.00 C +ATOM 1355 C VAL A 89 -0.736 19.953 -19.476 1.00 1.00 C +ATOM 1356 O VAL A 89 0.340 19.497 -19.095 1.00 1.00 O +ATOM 1357 CB VAL A 89 0.163 22.315 -19.130 1.00 1.00 C +ATOM 1358 CG1 VAL A 89 1.231 21.913 -20.151 1.00 1.00 C +ATOM 1359 CG2 VAL A 89 -0.204 23.795 -19.275 1.00 1.00 C +ATOM 1360 H VAL A 89 -1.584 21.035 -17.273 1.00 1.00 H +ATOM 1361 HA VAL A 89 -1.663 21.784 -20.102 1.00 1.00 H +ATOM 1362 HB VAL A 89 0.581 22.170 -18.133 1.00 1.00 H +ATOM 1363 HG11 VAL A 89 0.752 21.668 -21.099 1.00 1.00 H +ATOM 1364 HG12 VAL A 89 1.924 22.742 -20.296 1.00 1.00 H +ATOM 1365 HG13 VAL A 89 1.774 21.044 -19.782 1.00 1.00 H +ATOM 1366 HG21 VAL A 89 -1.209 23.958 -18.888 1.00 1.00 H +ATOM 1367 HG22 VAL A 89 0.505 24.401 -18.712 1.00 1.00 H +ATOM 1368 HG23 VAL A 89 -0.169 24.076 -20.326 1.00 1.00 H +ATOM 1369 N ALA A 90 -1.674 19.248 -20.092 1.00 1.00 N +ATOM 1370 CA ALA A 90 -1.486 17.834 -20.369 1.00 1.00 C +ATOM 1371 C ALA A 90 -0.587 17.675 -21.598 1.00 1.00 C +ATOM 1372 O ALA A 90 -1.069 17.363 -22.686 1.00 1.00 O +ATOM 1373 CB ALA A 90 -2.850 17.166 -20.553 1.00 1.00 C +ATOM 1374 H ALA A 90 -2.547 19.627 -20.399 1.00 1.00 H +ATOM 1375 HA ALA A 90 -0.991 17.390 -19.507 1.00 1.00 H +ATOM 1376 HB1 ALA A 90 -3.635 17.847 -20.233 1.00 1.00 H +ATOM 1377 HB2 ALA A 90 -2.993 16.915 -21.605 1.00 1.00 H +ATOM 1378 HB3 ALA A 90 -2.892 16.255 -19.955 1.00 1.00 H +ATOM 1379 N ASP A 91 0.700 17.896 -21.382 1.00 1.00 N +ATOM 1380 CA ASP A 91 1.671 17.781 -22.456 1.00 1.00 C +ATOM 1381 C ASP A 91 2.017 16.304 -22.669 1.00 1.00 C +ATOM 1382 O ASP A 91 3.066 15.984 -23.226 1.00 1.00 O +ATOM 1383 CB ASP A 91 2.963 18.524 -22.115 1.00 1.00 C +ATOM 1384 CG ASP A 91 3.785 18.980 -23.322 1.00 1.00 C +ATOM 1385 OD1 ASP A 91 3.325 19.927 -23.998 1.00 1.00 O +ATOM 1386 OD2 ASP A 91 4.854 18.371 -23.544 1.00 1.00 O +ATOM 1387 H ASP A 91 1.082 18.148 -20.492 1.00 1.00 H +ATOM 1388 HA ASP A 91 1.188 18.225 -23.327 1.00 1.00 H +ATOM 1389 HB2 ASP A 91 2.713 19.399 -21.515 1.00 1.00 H +ATOM 1390 HB3 ASP A 91 3.584 17.878 -21.495 1.00 1.00 H +ATOM 1391 N GLY A 92 1.116 15.447 -22.215 1.00 1.00 N +ATOM 1392 CA GLY A 92 1.312 14.013 -22.348 1.00 1.00 C +ATOM 1393 C GLY A 92 -0.026 13.287 -22.496 1.00 1.00 C +ATOM 1394 O GLY A 92 -0.280 12.648 -23.517 1.00 1.00 O +ATOM 1395 H GLY A 92 0.265 15.716 -21.764 1.00 1.00 H +ATOM 1396 HA2 GLY A 92 1.939 13.807 -23.216 1.00 1.00 H +ATOM 1397 HA3 GLY A 92 1.842 13.632 -21.475 1.00 1.00 H +ATOM 1398 N LEU A 93 -0.848 13.411 -21.465 1.00 1.00 N +ATOM 1399 CA LEU A 93 -2.154 12.775 -21.469 1.00 1.00 C +ATOM 1400 C LEU A 93 -3.030 13.421 -22.543 1.00 1.00 C +ATOM 1401 O LEU A 93 -2.840 14.588 -22.885 1.00 1.00 O +ATOM 1402 CB LEU A 93 -2.773 12.811 -20.068 1.00 1.00 C +ATOM 1403 CG LEU A 93 -1.788 12.954 -18.905 1.00 1.00 C +ATOM 1404 CD1 LEU A 93 -2.485 12.711 -17.565 1.00 1.00 C +ATOM 1405 CD2 LEU A 93 -0.578 12.039 -19.096 1.00 1.00 C +ATOM 1406 H LEU A 93 -0.635 13.933 -20.639 1.00 1.00 H +ATOM 1407 HA LEU A 93 -2.006 11.726 -21.727 1.00 1.00 H +ATOM 1408 HB2 LEU A 93 -3.476 13.643 -20.026 1.00 1.00 H +ATOM 1409 HB3 LEU A 93 -3.348 11.898 -19.921 1.00 1.00 H +ATOM 1410 HG LEU A 93 -1.419 13.979 -18.894 1.00 1.00 H +ATOM 1411 HD11 LEU A 93 -3.021 11.762 -17.602 1.00 1.00 H +ATOM 1412 HD12 LEU A 93 -1.741 12.677 -16.769 1.00 1.00 H +ATOM 1413 HD13 LEU A 93 -3.189 13.519 -17.370 1.00 1.00 H +ATOM 1414 HD21 LEU A 93 -0.800 11.297 -19.863 1.00 1.00 H +ATOM 1415 HD22 LEU A 93 0.284 12.633 -19.403 1.00 1.00 H +ATOM 1416 HD23 LEU A 93 -0.353 11.532 -18.157 1.00 1.00 H +ATOM 1417 N ILE A 94 -3.971 12.636 -23.047 1.00 1.00 N +ATOM 1418 CA ILE A 94 -4.875 13.117 -24.077 1.00 1.00 C +ATOM 1419 C ILE A 94 -5.357 14.522 -23.710 1.00 1.00 C +ATOM 1420 O ILE A 94 -4.732 15.513 -24.082 1.00 1.00 O +ATOM 1421 CB ILE A 94 -6.011 12.118 -24.303 1.00 1.00 C +ATOM 1422 CG1 ILE A 94 -6.404 11.429 -22.994 1.00 1.00 C +ATOM 1423 CG2 ILE A 94 -5.644 11.109 -25.393 1.00 1.00 C +ATOM 1424 CD1 ILE A 94 -5.715 10.070 -22.861 1.00 1.00 C +ATOM 1425 H ILE A 94 -4.118 11.688 -22.764 1.00 1.00 H +ATOM 1426 HA ILE A 94 -4.309 13.179 -25.007 1.00 1.00 H +ATOM 1427 HB ILE A 94 -6.885 12.667 -24.653 1.00 1.00 H +ATOM 1428 HG12 ILE A 94 -6.131 12.063 -22.150 1.00 1.00 H +ATOM 1429 HG13 ILE A 94 -7.485 11.298 -22.958 1.00 1.00 H +ATOM 1430 HG21 ILE A 94 -4.576 10.900 -25.350 1.00 1.00 H +ATOM 1431 HG22 ILE A 94 -6.201 10.185 -25.235 1.00 1.00 H +ATOM 1432 HG23 ILE A 94 -5.896 11.522 -26.370 1.00 1.00 H +ATOM 1433 HD11 ILE A 94 -4.915 9.994 -23.598 1.00 1.00 H +ATOM 1434 HD12 ILE A 94 -5.296 9.970 -21.859 1.00 1.00 H +ATOM 1435 HD13 ILE A 94 -6.441 9.275 -23.031 1.00 1.00 H +ATOM 1436 N THR A 95 -6.465 14.563 -22.983 1.00 1.00 N +ATOM 1437 CA THR A 95 -7.037 15.830 -22.561 1.00 1.00 C +ATOM 1438 C THR A 95 -6.327 16.346 -21.308 1.00 1.00 C +ATOM 1439 O THR A 95 -5.131 16.116 -21.129 1.00 1.00 O +ATOM 1440 CB THR A 95 -8.541 15.627 -22.368 1.00 1.00 C +ATOM 1441 OG1 THR A 95 -9.014 16.907 -21.953 1.00 1.00 O +ATOM 1442 CG2 THR A 95 -8.862 14.712 -21.183 1.00 1.00 C +ATOM 1443 H THR A 95 -6.968 13.751 -22.684 1.00 1.00 H +ATOM 1444 HA THR A 95 -6.867 16.562 -23.350 1.00 1.00 H +ATOM 1445 HB THR A 95 -9.006 15.258 -23.282 1.00 1.00 H +ATOM 1446 HG1 THR A 95 -9.211 17.473 -22.753 1.00 1.00 H +ATOM 1447 HG21 THR A 95 -8.200 13.845 -21.206 1.00 1.00 H +ATOM 1448 HG22 THR A 95 -8.714 15.257 -20.252 1.00 1.00 H +ATOM 1449 HG23 THR A 95 -9.897 14.378 -21.252 1.00 1.00 H +ATOM 1450 N THR A 96 -7.092 17.032 -20.474 1.00 1.00 N +ATOM 1451 CA THR A 96 -6.552 17.583 -19.243 1.00 1.00 C +ATOM 1452 C THR A 96 -7.434 17.200 -18.054 1.00 1.00 C +ATOM 1453 O THR A 96 -8.627 17.501 -18.038 1.00 1.00 O +ATOM 1454 CB THR A 96 -6.402 19.096 -19.427 1.00 1.00 C +ATOM 1455 OG1 THR A 96 -7.695 19.610 -19.121 1.00 1.00 O +ATOM 1456 CG2 THR A 96 -6.181 19.489 -20.888 1.00 1.00 C +ATOM 1457 H THR A 96 -8.064 17.216 -20.627 1.00 1.00 H +ATOM 1458 HA THR A 96 -5.571 17.140 -19.071 1.00 1.00 H +ATOM 1459 HB THR A 96 -5.607 19.488 -18.792 1.00 1.00 H +ATOM 1460 HG1 THR A 96 -7.859 19.563 -18.136 1.00 1.00 H +ATOM 1461 HG21 THR A 96 -5.312 18.957 -21.279 1.00 1.00 H +ATOM 1462 HG22 THR A 96 -7.062 19.226 -21.473 1.00 1.00 H +ATOM 1463 HG23 THR A 96 -6.008 20.564 -20.954 1.00 1.00 H +ATOM 1464 N LEU A 97 -6.814 16.541 -17.086 1.00 1.00 N +ATOM 1465 CA LEU A 97 -7.528 16.112 -15.895 1.00 1.00 C +ATOM 1466 C LEU A 97 -8.599 17.149 -15.548 1.00 1.00 C +ATOM 1467 O LEU A 97 -8.407 18.344 -15.771 1.00 1.00 O +ATOM 1468 CB LEU A 97 -6.548 15.834 -14.754 1.00 1.00 C +ATOM 1469 CG LEU A 97 -5.504 14.747 -15.017 1.00 1.00 C +ATOM 1470 CD1 LEU A 97 -4.108 15.218 -14.608 1.00 1.00 C +ATOM 1471 CD2 LEU A 97 -5.891 13.438 -14.326 1.00 1.00 C +ATOM 1472 H LEU A 97 -5.844 16.300 -17.106 1.00 1.00 H +ATOM 1473 HA LEU A 97 -8.022 15.171 -16.132 1.00 1.00 H +ATOM 1474 HB2 LEU A 97 -6.026 16.761 -14.515 1.00 1.00 H +ATOM 1475 HB3 LEU A 97 -7.122 15.555 -13.870 1.00 1.00 H +ATOM 1476 HG LEU A 97 -5.477 14.550 -16.087 1.00 1.00 H +ATOM 1477 HD11 LEU A 97 -4.193 16.097 -13.969 1.00 1.00 H +ATOM 1478 HD12 LEU A 97 -3.598 14.422 -14.066 1.00 1.00 H +ATOM 1479 HD13 LEU A 97 -3.535 15.473 -15.500 1.00 1.00 H +ATOM 1480 HD21 LEU A 97 -6.865 13.108 -14.690 1.00 1.00 H +ATOM 1481 HD22 LEU A 97 -5.143 12.676 -14.547 1.00 1.00 H +ATOM 1482 HD23 LEU A 97 -5.941 13.596 -13.248 1.00 1.00 H +ATOM 1483 N HIS A 98 -9.703 16.655 -15.008 1.00 1.00 N +ATOM 1484 CA HIS A 98 -10.804 17.523 -14.627 1.00 1.00 C +ATOM 1485 C HIS A 98 -10.782 17.746 -13.114 1.00 1.00 C +ATOM 1486 O HIS A 98 -10.254 18.749 -12.638 1.00 1.00 O +ATOM 1487 CB HIS A 98 -12.136 16.959 -15.125 1.00 1.00 C +ATOM 1488 CG HIS A 98 -13.305 17.897 -14.940 1.00 1.00 C +ATOM 1489 ND1 HIS A 98 -13.601 18.912 -15.834 1.00 1.00 N +ATOM 1490 CD2 HIS A 98 -14.251 17.961 -13.959 1.00 1.00 C +ATOM 1491 CE1 HIS A 98 -14.676 19.554 -15.399 1.00 1.00 C +ATOM 1492 NE2 HIS A 98 -15.076 18.963 -14.237 1.00 1.00 N +ATOM 1493 H HIS A 98 -9.850 15.681 -14.829 1.00 1.00 H +ATOM 1494 HA HIS A 98 -10.638 18.476 -15.128 1.00 1.00 H +ATOM 1495 HB2 HIS A 98 -12.043 16.715 -16.183 1.00 1.00 H +ATOM 1496 HB3 HIS A 98 -12.345 16.028 -14.599 1.00 1.00 H +ATOM 1497 HD1 HIS A 98 -13.089 19.126 -16.666 1.00 1.00 H +ATOM 1498 HD2 HIS A 98 -14.316 17.303 -13.094 1.00 1.00 H +ATOM 1499 HE1 HIS A 98 -15.156 20.403 -15.884 1.00 1.00 H +ATOM 1500 N TYR A 99 -11.363 16.793 -12.399 1.00 1.00 N +ATOM 1501 CA TYR A 99 -11.418 16.873 -10.950 1.00 1.00 C +ATOM 1502 C TYR A 99 -11.057 15.528 -10.312 1.00 1.00 C +ATOM 1503 O TYR A 99 -11.882 14.617 -10.267 1.00 1.00 O +ATOM 1504 CB TYR A 99 -12.867 17.215 -10.600 1.00 1.00 C +ATOM 1505 CG TYR A 99 -13.791 15.999 -10.515 1.00 1.00 C +ATOM 1506 CD1 TYR A 99 -13.980 15.196 -11.622 1.00 1.00 C +ATOM 1507 CD2 TYR A 99 -14.438 15.705 -9.332 1.00 1.00 C +ATOM 1508 CE1 TYR A 99 -14.848 14.052 -11.543 1.00 1.00 C +ATOM 1509 CE2 TYR A 99 -15.308 14.560 -9.252 1.00 1.00 C +ATOM 1510 CZ TYR A 99 -15.470 13.791 -10.362 1.00 1.00 C +ATOM 1511 OH TYR A 99 -16.293 12.709 -10.287 1.00 1.00 O +ATOM 1512 H TYR A 99 -11.791 15.979 -12.794 1.00 1.00 H +ATOM 1513 HA TYR A 99 -10.698 17.624 -10.627 1.00 1.00 H +ATOM 1514 HB2 TYR A 99 -12.886 17.739 -9.644 1.00 1.00 H +ATOM 1515 HB3 TYR A 99 -13.257 17.904 -11.349 1.00 1.00 H +ATOM 1516 HD1 TYR A 99 -13.468 15.429 -12.557 1.00 1.00 H +ATOM 1517 HD2 TYR A 99 -14.291 16.339 -8.458 1.00 1.00 H +ATOM 1518 HE1 TYR A 99 -15.006 13.410 -12.410 1.00 1.00 H +ATOM 1519 HE2 TYR A 99 -15.825 14.317 -8.324 1.00 1.00 H +ATOM 1520 HH TYR A 99 -16.621 12.465 -11.200 1.00 1.00 H +ATOM 1521 N PRO A 100 -9.790 15.445 -9.826 1.00 1.00 N +ATOM 1522 CA PRO A 100 -9.309 14.228 -9.194 1.00 1.00 C +ATOM 1523 C PRO A 100 -9.895 14.071 -7.789 1.00 1.00 C +ATOM 1524 O PRO A 100 -9.169 13.792 -6.837 1.00 1.00 O +ATOM 1525 CB PRO A 100 -7.795 14.357 -9.194 1.00 1.00 C +ATOM 1526 CG PRO A 100 -7.501 15.834 -9.400 1.00 1.00 C +ATOM 1527 CD PRO A 100 -8.785 16.504 -9.864 1.00 1.00 C +ATOM 1528 HA PRO A 100 -9.614 13.426 -9.710 1.00 1.00 H +ATOM 1529 HB2 PRO A 100 -7.373 14.001 -8.254 1.00 1.00 H +ATOM 1530 HB3 PRO A 100 -7.352 13.756 -9.989 1.00 1.00 H +ATOM 1531 HG2 PRO A 100 -7.149 16.285 -8.473 1.00 1.00 H +ATOM 1532 HG3 PRO A 100 -6.712 15.966 -10.139 1.00 1.00 H +ATOM 1533 HD2 PRO A 100 -9.057 17.332 -9.210 1.00 1.00 H +ATOM 1534 HD3 PRO A 100 -8.677 16.911 -10.869 1.00 1.00 H +ATOM 1535 N ALA A 101 -11.205 14.256 -7.706 1.00 1.00 N +ATOM 1536 CA ALA A 101 -11.897 14.139 -6.434 1.00 1.00 C +ATOM 1537 C ALA A 101 -11.397 12.893 -5.699 1.00 1.00 C +ATOM 1538 O ALA A 101 -10.780 12.017 -6.303 1.00 1.00 O +ATOM 1539 CB ALA A 101 -13.408 14.105 -6.677 1.00 1.00 C +ATOM 1540 H ALA A 101 -11.789 14.483 -8.485 1.00 1.00 H +ATOM 1541 HA ALA A 101 -11.657 15.021 -5.843 1.00 1.00 H +ATOM 1542 HB1 ALA A 101 -13.619 14.423 -7.697 1.00 1.00 H +ATOM 1543 HB2 ALA A 101 -13.777 13.089 -6.530 1.00 1.00 H +ATOM 1544 HB3 ALA A 101 -13.904 14.776 -5.976 1.00 1.00 H +ATOM 1545 N PRO A 102 -11.688 12.854 -4.372 1.00 1.00 N +ATOM 1546 CA PRO A 102 -11.274 11.732 -3.548 1.00 1.00 C +ATOM 1547 C PRO A 102 -12.150 10.505 -3.812 1.00 1.00 C +ATOM 1548 O PRO A 102 -13.321 10.638 -4.166 1.00 1.00 O +ATOM 1549 CB PRO A 102 -11.373 12.236 -2.117 1.00 1.00 C +ATOM 1550 CG PRO A 102 -12.277 13.457 -2.167 1.00 1.00 C +ATOM 1551 CD PRO A 102 -12.417 13.874 -3.622 1.00 1.00 C +ATOM 1552 HA PRO A 102 -10.341 11.455 -3.779 1.00 1.00 H +ATOM 1553 HB2 PRO A 102 -11.787 11.470 -1.460 1.00 1.00 H +ATOM 1554 HB3 PRO A 102 -10.390 12.493 -1.724 1.00 1.00 H +ATOM 1555 HG2 PRO A 102 -13.254 13.226 -1.741 1.00 1.00 H +ATOM 1556 HG3 PRO A 102 -11.855 14.269 -1.576 1.00 1.00 H +ATOM 1557 HD2 PRO A 102 -13.463 13.914 -3.924 1.00 1.00 H +ATOM 1558 HD3 PRO A 102 -11.998 14.865 -3.793 1.00 1.00 H +ATOM 1559 N LYS A 103 -11.550 9.338 -3.628 1.00 1.00 N +ATOM 1560 CA LYS A 103 -12.260 8.089 -3.842 1.00 1.00 C +ATOM 1561 C LYS A 103 -13.254 7.871 -2.699 1.00 1.00 C +ATOM 1562 O LYS A 103 -12.914 8.052 -1.532 1.00 1.00 O +ATOM 1563 CB LYS A 103 -11.273 6.936 -4.026 1.00 1.00 C +ATOM 1564 CG LYS A 103 -10.342 7.195 -5.213 1.00 1.00 C +ATOM 1565 CD LYS A 103 -11.116 7.179 -6.532 1.00 1.00 C +ATOM 1566 CE LYS A 103 -11.865 5.858 -6.712 1.00 1.00 C +ATOM 1567 NZ LYS A 103 -13.314 6.047 -6.469 1.00 1.00 N +ATOM 1568 H LYS A 103 -10.598 9.238 -3.339 1.00 1.00 H +ATOM 1569 HA LYS A 103 -12.820 8.186 -4.772 1.00 1.00 H +ATOM 1570 HB2 LYS A 103 -10.684 6.806 -3.119 1.00 1.00 H +ATOM 1571 HB3 LYS A 103 -11.820 6.005 -4.186 1.00 1.00 H +ATOM 1572 HG2 LYS A 103 -9.849 8.160 -5.087 1.00 1.00 H +ATOM 1573 HG3 LYS A 103 -9.557 6.438 -5.237 1.00 1.00 H +ATOM 1574 HD2 LYS A 103 -11.822 8.009 -6.553 1.00 1.00 H +ATOM 1575 HD3 LYS A 103 -10.426 7.327 -7.364 1.00 1.00 H +ATOM 1576 HE2 LYS A 103 -11.705 5.477 -7.720 1.00 1.00 H +ATOM 1577 HE3 LYS A 103 -11.469 5.111 -6.022 1.00 1.00 H +ATOM 1578 HZ1 LYS A 103 -13.444 6.591 -5.640 1.00 1.00 H +ATOM 1579 HZ2 LYS A 103 -13.723 6.522 -7.248 1.00 1.00 H +ATOM 1580 HZ3 LYS A 103 -13.751 5.156 -6.355 1.00 1.00 H +ATOM 1581 N ARG A 104 -14.464 7.485 -3.076 1.00 1.00 N +ATOM 1582 CA ARG A 104 -15.510 7.239 -2.097 1.00 1.00 C +ATOM 1583 C ARG A 104 -15.767 5.738 -1.960 1.00 1.00 C +ATOM 1584 O ARG A 104 -15.596 5.171 -0.882 1.00 1.00 O +ATOM 1585 CB ARG A 104 -16.812 7.938 -2.496 1.00 1.00 C +ATOM 1586 CG ARG A 104 -17.990 7.413 -1.672 1.00 1.00 C +ATOM 1587 CD ARG A 104 -18.819 8.568 -1.104 1.00 1.00 C +ATOM 1588 NE ARG A 104 -20.115 8.060 -0.601 1.00 1.00 N +ATOM 1589 CZ ARG A 104 -20.249 7.300 0.494 1.00 1.00 C +ATOM 1590 NH1 ARG A 104 -19.169 6.954 1.207 1.00 1.00 N +ATOM 1591 NH2 ARG A 104 -21.465 6.885 0.875 1.00 1.00 N +ATOM 1592 H ARG A 104 -14.734 7.339 -4.028 1.00 1.00 H +ATOM 1593 HA ARG A 104 -15.126 7.657 -1.167 1.00 1.00 H +ATOM 1594 HB2 ARG A 104 -16.712 9.014 -2.350 1.00 1.00 H +ATOM 1595 HB3 ARG A 104 -17.005 7.778 -3.557 1.00 1.00 H +ATOM 1596 HG2 ARG A 104 -18.621 6.781 -2.297 1.00 1.00 H +ATOM 1597 HG3 ARG A 104 -17.621 6.790 -0.858 1.00 1.00 H +ATOM 1598 HD2 ARG A 104 -18.271 9.055 -0.298 1.00 1.00 H +ATOM 1599 HD3 ARG A 104 -18.987 9.320 -1.875 1.00 1.00 H +ATOM 1600 HE ARG A 104 -20.942 8.300 -1.110 1.00 1.00 H +ATOM 1601 HH11 ARG A 104 -18.263 7.263 0.922 1.00 1.00 H +ATOM 1602 HH12 ARG A 104 -19.270 6.386 2.023 1.00 1.00 H +ATOM 1603 HH21 ARG A 104 -22.272 7.143 0.342 1.00 1.00 H +ATOM 1604 HH22 ARG A 104 -21.567 6.318 1.692 1.00 1.00 H +ATOM 1605 N GLY A 105 -16.174 5.135 -3.068 1.00 1.00 N +ATOM 1606 CA GLY A 105 -16.456 3.710 -3.085 1.00 1.00 C +ATOM 1607 C GLY A 105 -15.178 2.901 -3.319 1.00 1.00 C +ATOM 1608 O GLY A 105 -14.321 3.302 -4.105 1.00 1.00 O +ATOM 1609 H GLY A 105 -16.310 5.603 -3.941 1.00 1.00 H +ATOM 1610 HA2 GLY A 105 -16.909 3.415 -2.138 1.00 1.00 H +ATOM 1611 HA3 GLY A 105 -17.180 3.488 -3.868 1.00 1.00 H +ATOM 1612 N ILE A 106 -15.092 1.777 -2.624 1.00 1.00 N +ATOM 1613 CA ILE A 106 -13.935 0.907 -2.745 1.00 1.00 C +ATOM 1614 C ILE A 106 -13.968 0.210 -4.107 1.00 1.00 C +ATOM 1615 O ILE A 106 -13.097 0.435 -4.945 1.00 1.00 O +ATOM 1616 CB ILE A 106 -13.861 -0.058 -1.560 1.00 1.00 C +ATOM 1617 CG1 ILE A 106 -13.700 0.703 -0.243 1.00 1.00 C +ATOM 1618 CG2 ILE A 106 -12.754 -1.093 -1.765 1.00 1.00 C +ATOM 1619 CD1 ILE A 106 -14.435 -0.008 0.895 1.00 1.00 C +ATOM 1620 H ILE A 106 -15.795 1.458 -1.986 1.00 1.00 H +ATOM 1621 HA ILE A 106 -13.046 1.539 -2.703 1.00 1.00 H +ATOM 1622 HB ILE A 106 -14.805 -0.601 -1.504 1.00 1.00 H +ATOM 1623 HG12 ILE A 106 -12.641 0.791 0.002 1.00 1.00 H +ATOM 1624 HG13 ILE A 106 -14.085 1.716 -0.353 1.00 1.00 H +ATOM 1625 HG21 ILE A 106 -12.400 -1.048 -2.795 1.00 1.00 H +ATOM 1626 HG22 ILE A 106 -11.928 -0.880 -1.087 1.00 1.00 H +ATOM 1627 HG23 ILE A 106 -13.146 -2.090 -1.558 1.00 1.00 H +ATOM 1628 HD11 ILE A 106 -14.120 -1.051 0.935 1.00 1.00 H +ATOM 1629 HD12 ILE A 106 -14.198 0.479 1.841 1.00 1.00 H +ATOM 1630 HD13 ILE A 106 -15.509 0.041 0.719 1.00 1.00 H +ATOM 1631 N HIS A 107 -14.981 -0.625 -4.283 1.00 1.00 N +ATOM 1632 CA HIS A 107 -15.139 -1.358 -5.528 1.00 1.00 C +ATOM 1633 C HIS A 107 -16.628 -1.555 -5.822 1.00 1.00 C +ATOM 1634 O HIS A 107 -17.131 -1.086 -6.841 1.00 1.00 O +ATOM 1635 CB HIS A 107 -14.365 -2.676 -5.484 1.00 1.00 C +ATOM 1636 CG HIS A 107 -13.247 -2.766 -6.497 1.00 1.00 C +ATOM 1637 ND1 HIS A 107 -13.320 -3.563 -7.625 1.00 1.00 N +ATOM 1638 CD2 HIS A 107 -12.032 -2.147 -6.540 1.00 1.00 C +ATOM 1639 CE1 HIS A 107 -12.193 -3.425 -8.309 1.00 1.00 C +ATOM 1640 NE2 HIS A 107 -11.397 -2.549 -7.634 1.00 1.00 N +ATOM 1641 H HIS A 107 -15.686 -0.803 -3.595 1.00 1.00 H +ATOM 1642 HA HIS A 107 -14.702 -0.740 -6.312 1.00 1.00 H +ATOM 1643 HB2 HIS A 107 -13.948 -2.807 -4.486 1.00 1.00 H +ATOM 1644 HB3 HIS A 107 -15.059 -3.500 -5.651 1.00 1.00 H +ATOM 1645 HD1 HIS A 107 -14.092 -4.147 -7.881 1.00 1.00 H +ATOM 1646 HD2 HIS A 107 -11.648 -1.443 -5.802 1.00 1.00 H +ATOM 1647 HE1 HIS A 107 -11.947 -3.926 -9.245 1.00 1.00 H +ATOM 1648 N ARG A 108 -17.292 -2.250 -4.910 1.00 1.00 N +ATOM 1649 CA ARG A 108 -18.713 -2.516 -5.058 1.00 1.00 C +ATOM 1650 C ARG A 108 -19.424 -1.289 -5.633 1.00 1.00 C +ATOM 1651 O ARG A 108 -20.081 -1.377 -6.669 1.00 1.00 O +ATOM 1652 CB ARG A 108 -19.348 -2.883 -3.715 1.00 1.00 C +ATOM 1653 CG ARG A 108 -19.015 -4.324 -3.327 1.00 1.00 C +ATOM 1654 CD ARG A 108 -17.606 -4.422 -2.738 1.00 1.00 C +ATOM 1655 NE ARG A 108 -16.654 -4.878 -3.774 1.00 1.00 N +ATOM 1656 CZ ARG A 108 -15.349 -5.089 -3.556 1.00 1.00 C +ATOM 1657 NH1 ARG A 108 -14.833 -4.886 -2.336 1.00 1.00 N +ATOM 1658 NH2 ARG A 108 -14.560 -5.504 -4.556 1.00 1.00 N +ATOM 1659 H ARG A 108 -16.875 -2.630 -4.083 1.00 1.00 H +ATOM 1660 HA ARG A 108 -18.768 -3.359 -5.746 1.00 1.00 H +ATOM 1661 HB2 ARG A 108 -18.991 -2.202 -2.942 1.00 1.00 H +ATOM 1662 HB3 ARG A 108 -20.429 -2.758 -3.774 1.00 1.00 H +ATOM 1663 HG2 ARG A 108 -19.742 -4.687 -2.601 1.00 1.00 H +ATOM 1664 HG3 ARG A 108 -19.092 -4.968 -4.203 1.00 1.00 H +ATOM 1665 HD2 ARG A 108 -17.297 -3.450 -2.350 1.00 1.00 H +ATOM 1666 HD3 ARG A 108 -17.602 -5.116 -1.898 1.00 1.00 H +ATOM 1667 HE ARG A 108 -17.006 -5.039 -4.696 1.00 1.00 H +ATOM 1668 HH11 ARG A 108 -15.422 -4.577 -1.589 1.00 1.00 H +ATOM 1669 HH12 ARG A 108 -13.859 -5.043 -2.173 1.00 1.00 H +ATOM 1670 HH21 ARG A 108 -14.946 -5.655 -5.467 1.00 1.00 H +ATOM 1671 HH22 ARG A 108 -13.586 -5.661 -4.393 1.00 1.00 H +ATOM 1672 N ASP A 109 -19.270 -0.175 -4.935 1.00 1.00 N +ATOM 1673 CA ASP A 109 -19.889 1.068 -5.363 1.00 1.00 C +ATOM 1674 C ASP A 109 -18.830 1.966 -6.007 1.00 1.00 C +ATOM 1675 O ASP A 109 -18.636 3.083 -5.478 1.00 1.00 O +ATOM 1676 CB ASP A 109 -20.490 1.822 -4.175 1.00 1.00 C +ATOM 1677 CG ASP A 109 -21.646 1.107 -3.473 1.00 1.00 C +ATOM 1678 OD1 ASP A 109 -22.749 1.067 -4.142 1.00 1.00 O +ATOM 1679 OD2 ASP A 109 -21.502 0.615 -2.344 1.00 1.00 O +ATOM 1680 OXT ASP A 109 -18.210 1.588 -6.998 1.00 1.00 O +ATOM 1681 H ASP A 109 -18.734 -0.111 -4.093 1.00 1.00 H +ATOM 1682 HA ASP A 109 -20.669 0.774 -6.065 1.00 1.00 H +ATOM 1683 HB2 ASP A 109 -19.702 2.009 -3.445 1.00 1.00 H +ATOM 1684 HB3 ASP A 109 -20.840 2.796 -4.521 1.00 1.00 H +TER 1685 ASP A 109 +ENDMDL +MODEL 6 +ATOM 1 N GLY A 1 5.822 3.734 -1.612 1.00 1.00 N +ATOM 2 CA GLY A 1 5.500 3.605 -0.203 1.00 1.00 C +ATOM 3 C GLY A 1 4.434 2.532 0.022 1.00 1.00 C +ATOM 4 O GLY A 1 4.728 1.460 0.550 1.00 1.00 O +ATOM 5 H1 GLY A 1 5.096 3.293 -2.167 1.00 1.00 H +ATOM 6 H2 GLY A 1 5.883 4.715 -1.858 1.00 1.00 H +ATOM 7 H3 GLY A 1 6.711 3.283 -1.800 1.00 1.00 H +ATOM 8 HA2 GLY A 1 6.400 3.351 0.358 1.00 1.00 H +ATOM 9 HA3 GLY A 1 5.146 4.561 0.183 1.00 1.00 H +ATOM 10 N SER A 2 3.217 2.857 -0.391 1.00 1.00 N +ATOM 11 CA SER A 2 2.106 1.934 -0.242 1.00 1.00 C +ATOM 12 C SER A 2 1.999 1.473 1.213 1.00 1.00 C +ATOM 13 O SER A 2 2.420 0.369 1.550 1.00 1.00 O +ATOM 14 CB SER A 2 2.262 0.727 -1.171 1.00 1.00 C +ATOM 15 OG SER A 2 1.043 0.005 -1.319 1.00 1.00 O +ATOM 16 H SER A 2 2.986 3.731 -0.819 1.00 1.00 H +ATOM 17 HA SER A 2 1.219 2.500 -0.531 1.00 1.00 H +ATOM 18 HB2 SER A 2 2.605 1.066 -2.149 1.00 1.00 H +ATOM 19 HB3 SER A 2 3.031 0.064 -0.776 1.00 1.00 H +ATOM 20 HG SER A 2 0.382 0.305 -0.631 1.00 1.00 H +ATOM 21 N GLY A 3 1.431 2.343 2.036 1.00 1.00 N +ATOM 22 CA GLY A 3 1.264 2.040 3.447 1.00 1.00 C +ATOM 23 C GLY A 3 -0.142 1.508 3.730 1.00 1.00 C +ATOM 24 O GLY A 3 -0.700 0.759 2.929 1.00 1.00 O +ATOM 25 H GLY A 3 1.091 3.240 1.753 1.00 1.00 H +ATOM 26 HA2 GLY A 3 2.004 1.300 3.753 1.00 1.00 H +ATOM 27 HA3 GLY A 3 1.444 2.936 4.039 1.00 1.00 H +ATOM 28 N ASN A 4 -0.677 1.917 4.871 1.00 1.00 N +ATOM 29 CA ASN A 4 -2.007 1.491 5.270 1.00 1.00 C +ATOM 30 C ASN A 4 -3.013 1.905 4.195 1.00 1.00 C +ATOM 31 O ASN A 4 -3.743 1.066 3.666 1.00 1.00 O +ATOM 32 CB ASN A 4 -2.424 2.149 6.587 1.00 1.00 C +ATOM 33 CG ASN A 4 -3.884 1.829 6.921 1.00 1.00 C +ATOM 34 OD1 ASN A 4 -4.801 2.165 6.194 1.00 1.00 O +ATOM 35 ND2 ASN A 4 -4.042 1.163 8.061 1.00 1.00 N +ATOM 36 H ASN A 4 -0.216 2.526 5.517 1.00 1.00 H +ATOM 37 HA ASN A 4 -1.939 0.409 5.385 1.00 1.00 H +ATOM 38 HB2 ASN A 4 -1.778 1.801 7.392 1.00 1.00 H +ATOM 39 HB3 ASN A 4 -2.291 3.229 6.515 1.00 1.00 H +ATOM 40 HD21 ASN A 4 -3.246 0.918 8.614 1.00 1.00 H +ATOM 41 HD22 ASN A 4 -4.961 0.907 8.367 1.00 1.00 H +ATOM 42 N SER A 5 -3.022 3.197 3.904 1.00 1.00 N +ATOM 43 CA SER A 5 -3.928 3.731 2.901 1.00 1.00 C +ATOM 44 C SER A 5 -3.131 4.411 1.785 1.00 1.00 C +ATOM 45 O SER A 5 -2.363 5.336 2.041 1.00 1.00 O +ATOM 46 CB SER A 5 -4.917 4.720 3.523 1.00 1.00 C +ATOM 47 OG SER A 5 -5.615 4.152 4.628 1.00 1.00 O +ATOM 48 H SER A 5 -2.426 3.873 4.338 1.00 1.00 H +ATOM 49 HA SER A 5 -4.470 2.871 2.514 1.00 1.00 H +ATOM 50 HB2 SER A 5 -4.381 5.611 3.852 1.00 1.00 H +ATOM 51 HB3 SER A 5 -5.633 5.040 2.766 1.00 1.00 H +ATOM 52 HG SER A 5 -5.104 3.374 4.992 1.00 1.00 H +ATOM 53 N LEU A 6 -3.341 3.923 0.572 1.00 1.00 N +ATOM 54 CA LEU A 6 -2.651 4.471 -0.585 1.00 1.00 C +ATOM 55 C LEU A 6 -3.480 5.615 -1.173 1.00 1.00 C +ATOM 56 O LEU A 6 -3.634 5.715 -2.388 1.00 1.00 O +ATOM 57 CB LEU A 6 -2.330 3.364 -1.591 1.00 1.00 C +ATOM 58 CG LEU A 6 -3.522 2.543 -2.087 1.00 1.00 C +ATOM 59 CD1 LEU A 6 -3.850 2.875 -3.545 1.00 1.00 C +ATOM 60 CD2 LEU A 6 -3.279 1.045 -1.883 1.00 1.00 C +ATOM 61 H LEU A 6 -3.967 3.170 0.371 1.00 1.00 H +ATOM 62 HA LEU A 6 -1.701 4.875 -0.238 1.00 1.00 H +ATOM 63 HB2 LEU A 6 -1.842 3.816 -2.454 1.00 1.00 H +ATOM 64 HB3 LEU A 6 -1.610 2.686 -1.137 1.00 1.00 H +ATOM 65 HG LEU A 6 -4.395 2.811 -1.493 1.00 1.00 H +ATOM 66 HD11 LEU A 6 -4.002 3.951 -3.645 1.00 1.00 H +ATOM 67 HD12 LEU A 6 -3.023 2.565 -4.183 1.00 1.00 H +ATOM 68 HD13 LEU A 6 -4.757 2.351 -3.842 1.00 1.00 H +ATOM 69 HD21 LEU A 6 -2.468 0.905 -1.168 1.00 1.00 H +ATOM 70 HD22 LEU A 6 -4.187 0.579 -1.501 1.00 1.00 H +ATOM 71 HD23 LEU A 6 -3.008 0.589 -2.834 1.00 1.00 H +ATOM 72 N GLU A 7 -3.992 6.451 -0.281 1.00 1.00 N +ATOM 73 CA GLU A 7 -4.801 7.584 -0.696 1.00 1.00 C +ATOM 74 C GLU A 7 -3.912 8.688 -1.275 1.00 1.00 C +ATOM 75 O GLU A 7 -3.751 9.745 -0.666 1.00 1.00 O +ATOM 76 CB GLU A 7 -5.643 8.113 0.468 1.00 1.00 C +ATOM 77 CG GLU A 7 -7.136 7.934 0.190 1.00 1.00 C +ATOM 78 CD GLU A 7 -7.770 9.249 -0.267 1.00 1.00 C +ATOM 79 OE1 GLU A 7 -7.532 9.571 -1.494 1.00 1.00 O +ATOM 80 OE2 GLU A 7 -8.452 9.916 0.524 1.00 1.00 O +ATOM 81 H GLU A 7 -3.862 6.365 0.706 1.00 1.00 H +ATOM 82 HA GLU A 7 -5.464 7.200 -1.470 1.00 1.00 H +ATOM 83 HB2 GLU A 7 -5.372 7.587 1.384 1.00 1.00 H +ATOM 84 HB3 GLU A 7 -5.423 9.168 0.629 1.00 1.00 H +ATOM 85 HG2 GLU A 7 -7.278 7.171 -0.576 1.00 1.00 H +ATOM 86 HG3 GLU A 7 -7.637 7.578 1.090 1.00 1.00 H +ATOM 87 N LYS A 8 -3.357 8.405 -2.444 1.00 1.00 N +ATOM 88 CA LYS A 8 -2.490 9.359 -3.113 1.00 1.00 C +ATOM 89 C LYS A 8 -3.246 10.673 -3.317 1.00 1.00 C +ATOM 90 O LYS A 8 -3.663 11.311 -2.351 1.00 1.00 O +ATOM 91 CB LYS A 8 -1.932 8.762 -4.405 1.00 1.00 C +ATOM 92 CG LYS A 8 -0.507 9.255 -4.667 1.00 1.00 C +ATOM 93 CD LYS A 8 -0.473 10.776 -4.819 1.00 1.00 C +ATOM 94 CE LYS A 8 0.935 11.321 -4.564 1.00 1.00 C +ATOM 95 NZ LYS A 8 1.233 11.327 -3.115 1.00 1.00 N +ATOM 96 H LYS A 8 -3.493 7.542 -2.933 1.00 1.00 H +ATOM 97 HA LYS A 8 -1.642 9.547 -2.454 1.00 1.00 H +ATOM 98 HB2 LYS A 8 -1.938 7.674 -4.342 1.00 1.00 H +ATOM 99 HB3 LYS A 8 -2.574 9.035 -5.242 1.00 1.00 H +ATOM 100 HG2 LYS A 8 0.143 8.953 -3.845 1.00 1.00 H +ATOM 101 HG3 LYS A 8 -0.117 8.786 -5.571 1.00 1.00 H +ATOM 102 HD2 LYS A 8 -0.797 11.052 -5.823 1.00 1.00 H +ATOM 103 HD3 LYS A 8 -1.174 11.231 -4.120 1.00 1.00 H +ATOM 104 HE2 LYS A 8 1.669 10.710 -5.090 1.00 1.00 H +ATOM 105 HE3 LYS A 8 1.018 12.332 -4.962 1.00 1.00 H +ATOM 106 HZ1 LYS A 8 0.501 10.838 -2.618 1.00 1.00 H +ATOM 107 HZ2 LYS A 8 2.116 10.866 -2.950 1.00 1.00 H +ATOM 108 HZ3 LYS A 8 1.292 12.269 -2.742 1.00 1.00 H +ATOM 109 N HIS A 9 -3.399 11.039 -4.582 1.00 1.00 N +ATOM 110 CA HIS A 9 -4.099 12.265 -4.925 1.00 1.00 C +ATOM 111 C HIS A 9 -5.587 12.117 -4.601 1.00 1.00 C +ATOM 112 O HIS A 9 -6.020 11.067 -4.129 1.00 1.00 O +ATOM 113 CB HIS A 9 -3.845 12.643 -6.386 1.00 1.00 C +ATOM 114 CG HIS A 9 -2.563 13.408 -6.609 1.00 1.00 C +ATOM 115 ND1 HIS A 9 -1.518 13.402 -5.701 1.00 1.00 N +ATOM 116 CD2 HIS A 9 -2.167 14.202 -7.645 1.00 1.00 C +ATOM 117 CE1 HIS A 9 -0.543 14.160 -6.179 1.00 1.00 C +ATOM 118 NE2 HIS A 9 -0.947 14.657 -7.383 1.00 1.00 N +ATOM 119 H HIS A 9 -3.058 10.514 -5.360 1.00 1.00 H +ATOM 120 HA HIS A 9 -3.676 13.053 -4.300 1.00 1.00 H +ATOM 121 HB2 HIS A 9 -3.824 11.734 -6.987 1.00 1.00 H +ATOM 122 HB3 HIS A 9 -4.681 13.244 -6.745 1.00 1.00 H +ATOM 123 HD1 HIS A 9 -1.502 12.907 -4.832 1.00 1.00 H +ATOM 124 HD2 HIS A 9 -2.753 14.425 -8.537 1.00 1.00 H +ATOM 125 HE1 HIS A 9 0.414 14.354 -5.694 1.00 1.00 H +ATOM 126 N SER A 10 -6.327 13.183 -4.865 1.00 1.00 N +ATOM 127 CA SER A 10 -7.756 13.185 -4.607 1.00 1.00 C +ATOM 128 C SER A 10 -8.489 12.426 -5.715 1.00 1.00 C +ATOM 129 O SER A 10 -9.718 12.381 -5.734 1.00 1.00 O +ATOM 130 CB SER A 10 -8.294 14.614 -4.497 1.00 1.00 C +ATOM 131 OG SER A 10 -9.394 14.701 -3.594 1.00 1.00 O +ATOM 132 H SER A 10 -5.965 14.034 -5.250 1.00 1.00 H +ATOM 133 HA SER A 10 -7.877 12.677 -3.652 1.00 1.00 H +ATOM 134 HB2 SER A 10 -7.496 15.275 -4.162 1.00 1.00 H +ATOM 135 HB3 SER A 10 -8.605 14.960 -5.481 1.00 1.00 H +ATOM 136 HG SER A 10 -9.268 14.057 -2.840 1.00 1.00 H +ATOM 137 N TRP A 11 -7.703 11.849 -6.613 1.00 1.00 N +ATOM 138 CA TRP A 11 -8.262 11.094 -7.722 1.00 1.00 C +ATOM 139 C TRP A 11 -7.621 9.705 -7.719 1.00 1.00 C +ATOM 140 O TRP A 11 -7.834 8.917 -8.639 1.00 1.00 O +ATOM 141 CB TRP A 11 -8.069 11.839 -9.044 1.00 1.00 C +ATOM 142 CG TRP A 11 -6.676 12.450 -9.217 1.00 1.00 C +ATOM 143 CD1 TRP A 11 -6.340 13.748 -9.224 1.00 1.00 C +ATOM 144 CD2 TRP A 11 -5.440 11.732 -9.408 1.00 1.00 C +ATOM 145 NE1 TRP A 11 -4.983 13.917 -9.405 1.00 1.00 N +ATOM 146 CE2 TRP A 11 -4.417 12.652 -9.521 1.00 1.00 C +ATOM 147 CE3 TRP A 11 -5.193 10.349 -9.482 1.00 1.00 C +ATOM 148 CZ2 TRP A 11 -3.078 12.291 -9.715 1.00 1.00 C +ATOM 149 CZ3 TRP A 11 -3.850 10.006 -9.676 1.00 1.00 C +ATOM 150 CH2 TRP A 11 -2.810 10.920 -9.792 1.00 1.00 C +ATOM 151 H TRP A 11 -6.704 11.890 -6.590 1.00 1.00 H +ATOM 152 HA TRP A 11 -9.336 11.010 -7.559 1.00 1.00 H +ATOM 153 HB2 TRP A 11 -8.257 11.151 -9.868 1.00 1.00 H +ATOM 154 HB3 TRP A 11 -8.814 12.632 -9.116 1.00 1.00 H +ATOM 155 HD1 TRP A 11 -7.050 14.566 -9.103 1.00 1.00 H +ATOM 156 HE1 TRP A 11 -4.452 14.867 -9.450 1.00 1.00 H +ATOM 157 HE3 TRP A 11 -5.982 9.603 -9.395 1.00 1.00 H +ATOM 158 HZ2 TRP A 11 -2.290 13.038 -9.801 1.00 1.00 H +ATOM 159 HZ3 TRP A 11 -3.603 8.946 -9.741 1.00 1.00 H +ATOM 160 HH2 TRP A 11 -1.788 10.571 -9.942 1.00 1.00 H +ATOM 161 N TYR A 12 -6.849 9.447 -6.673 1.00 1.00 N +ATOM 162 CA TYR A 12 -6.175 8.166 -6.539 1.00 1.00 C +ATOM 163 C TYR A 12 -6.836 7.310 -5.457 1.00 1.00 C +ATOM 164 O TYR A 12 -7.054 7.775 -4.339 1.00 1.00 O +ATOM 165 CB TYR A 12 -4.742 8.487 -6.113 1.00 1.00 C +ATOM 166 CG TYR A 12 -3.722 7.416 -6.506 1.00 1.00 C +ATOM 167 CD1 TYR A 12 -3.961 6.091 -6.202 1.00 1.00 C +ATOM 168 CD2 TYR A 12 -2.563 7.775 -7.164 1.00 1.00 C +ATOM 169 CE1 TYR A 12 -3.000 5.083 -6.572 1.00 1.00 C +ATOM 170 CE2 TYR A 12 -1.603 6.767 -7.535 1.00 1.00 C +ATOM 171 CZ TYR A 12 -1.870 5.472 -7.220 1.00 1.00 C +ATOM 172 OH TYR A 12 -0.963 4.519 -7.569 1.00 1.00 O +ATOM 173 H TYR A 12 -6.681 10.093 -5.929 1.00 1.00 H +ATOM 174 HA TYR A 12 -6.245 7.648 -7.495 1.00 1.00 H +ATOM 175 HB2 TYR A 12 -4.445 9.438 -6.558 1.00 1.00 H +ATOM 176 HB3 TYR A 12 -4.716 8.620 -5.031 1.00 1.00 H +ATOM 177 HD1 TYR A 12 -4.875 5.808 -5.682 1.00 1.00 H +ATOM 178 HD2 TYR A 12 -2.374 8.821 -7.405 1.00 1.00 H +ATOM 179 HE1 TYR A 12 -3.177 4.033 -6.339 1.00 1.00 H +ATOM 180 HE2 TYR A 12 -0.684 7.037 -8.054 1.00 1.00 H +ATOM 181 HH TYR A 12 -1.247 3.629 -7.214 1.00 1.00 H +ATOM 182 N HIS A 13 -7.139 6.075 -5.828 1.00 1.00 N +ATOM 183 CA HIS A 13 -7.773 5.149 -4.904 1.00 1.00 C +ATOM 184 C HIS A 13 -7.112 3.775 -5.021 1.00 1.00 C +ATOM 185 O HIS A 13 -7.462 2.850 -4.290 1.00 1.00 O +ATOM 186 CB HIS A 13 -9.285 5.102 -5.131 1.00 1.00 C +ATOM 187 CG HIS A 13 -9.686 5.039 -6.585 1.00 1.00 C +ATOM 188 ND1 HIS A 13 -10.990 4.825 -6.996 1.00 1.00 N +ATOM 189 CD2 HIS A 13 -8.940 5.164 -7.721 1.00 1.00 C +ATOM 190 CE1 HIS A 13 -11.017 4.823 -8.321 1.00 1.00 C +ATOM 191 NE2 HIS A 13 -9.746 5.033 -8.769 1.00 1.00 N +ATOM 192 H HIS A 13 -6.962 5.705 -6.740 1.00 1.00 H +ATOM 193 HA HIS A 13 -7.599 5.542 -3.901 1.00 1.00 H +ATOM 194 HB2 HIS A 13 -9.693 4.234 -4.615 1.00 1.00 H +ATOM 195 HB3 HIS A 13 -9.738 5.985 -4.679 1.00 1.00 H +ATOM 196 HD1 HIS A 13 -11.778 4.695 -6.394 1.00 1.00 H +ATOM 197 HD2 HIS A 13 -7.866 5.342 -7.762 1.00 1.00 H +ATOM 198 HE1 HIS A 13 -11.900 4.681 -8.943 1.00 1.00 H +ATOM 199 N GLY A 14 -6.169 3.684 -5.947 1.00 1.00 N +ATOM 200 CA GLY A 14 -5.456 2.438 -6.170 1.00 1.00 C +ATOM 201 C GLY A 14 -5.449 2.068 -7.655 1.00 1.00 C +ATOM 202 O GLY A 14 -6.111 2.718 -8.463 1.00 1.00 O +ATOM 203 H GLY A 14 -5.891 4.442 -6.538 1.00 1.00 H +ATOM 204 HA2 GLY A 14 -4.432 2.531 -5.810 1.00 1.00 H +ATOM 205 HA3 GLY A 14 -5.925 1.639 -5.596 1.00 1.00 H +ATOM 206 N PRO A 15 -4.675 0.998 -7.977 1.00 1.00 N +ATOM 207 CA PRO A 15 -4.573 0.535 -9.350 1.00 1.00 C +ATOM 208 C PRO A 15 -5.839 -0.212 -9.773 1.00 1.00 C +ATOM 209 O PRO A 15 -6.310 -1.097 -9.058 1.00 1.00 O +ATOM 210 CB PRO A 15 -3.329 -0.342 -9.378 1.00 1.00 C +ATOM 211 CG PRO A 15 -3.047 -0.712 -7.931 1.00 1.00 C +ATOM 212 CD PRO A 15 -3.878 0.204 -7.046 1.00 1.00 C +ATOM 213 HA PRO A 15 -4.492 1.311 -9.973 1.00 1.00 H +ATOM 214 HB2 PRO A 15 -3.493 -1.233 -9.984 1.00 1.00 H +ATOM 215 HB3 PRO A 15 -2.486 0.191 -9.818 1.00 1.00 H +ATOM 216 HG2 PRO A 15 -3.303 -1.755 -7.747 1.00 1.00 H +ATOM 217 HG3 PRO A 15 -1.987 -0.598 -7.709 1.00 1.00 H +ATOM 218 HD2 PRO A 15 -4.513 -0.368 -6.370 1.00 1.00 H +ATOM 219 HD3 PRO A 15 -3.245 0.838 -6.427 1.00 1.00 H +ATOM 220 N VAL A 16 -6.355 0.170 -10.931 1.00 1.00 N +ATOM 221 CA VAL A 16 -7.559 -0.451 -11.456 1.00 1.00 C +ATOM 222 C VAL A 16 -7.263 -1.037 -12.838 1.00 1.00 C +ATOM 223 O VAL A 16 -6.316 -0.620 -13.504 1.00 1.00 O +ATOM 224 CB VAL A 16 -8.707 0.560 -11.471 1.00 1.00 C +ATOM 225 CG1 VAL A 16 -10.058 -0.147 -11.598 1.00 1.00 C +ATOM 226 CG2 VAL A 16 -8.669 1.448 -10.226 1.00 1.00 C +ATOM 227 H VAL A 16 -5.966 0.890 -11.506 1.00 1.00 H +ATOM 228 HA VAL A 16 -7.831 -1.264 -10.782 1.00 1.00 H +ATOM 229 HB VAL A 16 -8.580 1.200 -12.343 1.00 1.00 H +ATOM 230 HG11 VAL A 16 -9.907 -1.227 -11.574 1.00 1.00 H +ATOM 231 HG12 VAL A 16 -10.702 0.149 -10.771 1.00 1.00 H +ATOM 232 HG13 VAL A 16 -10.525 0.133 -12.542 1.00 1.00 H +ATOM 233 HG21 VAL A 16 -7.657 1.464 -9.821 1.00 1.00 H +ATOM 234 HG22 VAL A 16 -8.967 2.463 -10.494 1.00 1.00 H +ATOM 235 HG23 VAL A 16 -9.356 1.054 -9.475 1.00 1.00 H +ATOM 236 N SER A 17 -8.088 -1.997 -13.228 1.00 1.00 N +ATOM 237 CA SER A 17 -7.927 -2.645 -14.519 1.00 1.00 C +ATOM 238 C SER A 17 -8.492 -1.753 -15.627 1.00 1.00 C +ATOM 239 O SER A 17 -9.491 -1.066 -15.425 1.00 1.00 O +ATOM 240 CB SER A 17 -8.611 -4.014 -14.538 1.00 1.00 C +ATOM 241 OG SER A 17 -7.670 -5.083 -14.541 1.00 1.00 O +ATOM 242 H SER A 17 -8.856 -2.332 -12.681 1.00 1.00 H +ATOM 243 HA SER A 17 -6.852 -2.776 -14.644 1.00 1.00 H +ATOM 244 HB2 SER A 17 -9.261 -4.107 -13.666 1.00 1.00 H +ATOM 245 HB3 SER A 17 -9.249 -4.089 -15.420 1.00 1.00 H +ATOM 246 HG SER A 17 -7.577 -5.460 -13.620 1.00 1.00 H +ATOM 247 N ARG A 18 -7.827 -1.797 -16.772 1.00 1.00 N +ATOM 248 CA ARG A 18 -8.251 -1.001 -17.912 1.00 1.00 C +ATOM 249 C ARG A 18 -9.512 -1.599 -18.538 1.00 1.00 C +ATOM 250 O ARG A 18 -10.307 -0.884 -19.146 1.00 1.00 O +ATOM 251 CB ARG A 18 -7.150 -0.928 -18.972 1.00 1.00 C +ATOM 252 CG ARG A 18 -7.495 -1.797 -20.182 1.00 1.00 C +ATOM 253 CD ARG A 18 -6.274 -1.990 -21.085 1.00 1.00 C +ATOM 254 NE ARG A 18 -6.202 -0.897 -22.079 1.00 1.00 N +ATOM 255 CZ ARG A 18 -6.812 -0.923 -23.270 1.00 1.00 C +ATOM 256 NH1 ARG A 18 -7.547 -1.988 -23.624 1.00 1.00 N +ATOM 257 NH2 ARG A 18 -6.690 0.114 -24.109 1.00 1.00 N +ATOM 258 H ARG A 18 -7.016 -2.360 -16.927 1.00 1.00 H +ATOM 259 HA ARG A 18 -8.448 -0.010 -17.503 1.00 1.00 H +ATOM 260 HB2 ARG A 18 -7.013 0.106 -19.289 1.00 1.00 H +ATOM 261 HB3 ARG A 18 -6.204 -1.256 -18.541 1.00 1.00 H +ATOM 262 HG2 ARG A 18 -7.861 -2.768 -19.845 1.00 1.00 H +ATOM 263 HG3 ARG A 18 -8.302 -1.332 -20.751 1.00 1.00 H +ATOM 264 HD2 ARG A 18 -5.366 -2.007 -20.483 1.00 1.00 H +ATOM 265 HD3 ARG A 18 -6.337 -2.953 -21.594 1.00 1.00 H +ATOM 266 HE ARG A 18 -5.661 -0.087 -21.847 1.00 1.00 H +ATOM 267 HH11 ARG A 18 -7.637 -2.763 -22.999 1.00 1.00 H +ATOM 268 HH12 ARG A 18 -8.002 -2.008 -24.515 1.00 1.00 H +ATOM 269 HH21 ARG A 18 -6.144 0.909 -23.846 1.00 1.00 H +ATOM 270 HH22 ARG A 18 -7.147 0.095 -25.000 1.00 1.00 H +ATOM 271 N ASN A 19 -9.657 -2.905 -18.367 1.00 1.00 N +ATOM 272 CA ASN A 19 -10.809 -3.607 -18.907 1.00 1.00 C +ATOM 273 C ASN A 19 -12.080 -3.092 -18.228 1.00 1.00 C +ATOM 274 O ASN A 19 -13.003 -2.634 -18.899 1.00 1.00 O +ATOM 275 CB ASN A 19 -10.708 -5.112 -18.645 1.00 1.00 C +ATOM 276 CG ASN A 19 -10.142 -5.389 -17.252 1.00 1.00 C +ATOM 277 OD1 ASN A 19 -10.862 -5.539 -16.279 1.00 1.00 O +ATOM 278 ND2 ASN A 19 -8.813 -5.447 -17.209 1.00 1.00 N +ATOM 279 H ASN A 19 -9.005 -3.480 -17.870 1.00 1.00 H +ATOM 280 HA ASN A 19 -10.794 -3.400 -19.976 1.00 1.00 H +ATOM 281 HB2 ASN A 19 -11.695 -5.566 -18.737 1.00 1.00 H +ATOM 282 HB3 ASN A 19 -10.073 -5.575 -19.399 1.00 1.00 H +ATOM 283 HD21 ASN A 19 -8.280 -5.315 -18.044 1.00 1.00 H +ATOM 284 HD22 ASN A 19 -8.349 -5.625 -16.341 1.00 1.00 H +ATOM 285 N ALA A 20 -12.085 -3.184 -16.906 1.00 1.00 N +ATOM 286 CA ALA A 20 -13.227 -2.733 -16.130 1.00 1.00 C +ATOM 287 C ALA A 20 -13.292 -1.205 -16.167 1.00 1.00 C +ATOM 288 O ALA A 20 -14.316 -0.615 -15.824 1.00 1.00 O +ATOM 289 CB ALA A 20 -13.121 -3.277 -14.704 1.00 1.00 C +ATOM 290 H ALA A 20 -11.329 -3.557 -16.369 1.00 1.00 H +ATOM 291 HA ALA A 20 -14.126 -3.138 -16.595 1.00 1.00 H +ATOM 292 HB1 ALA A 20 -12.807 -4.321 -14.736 1.00 1.00 H +ATOM 293 HB2 ALA A 20 -12.390 -2.694 -14.145 1.00 1.00 H +ATOM 294 HB3 ALA A 20 -14.094 -3.205 -14.216 1.00 1.00 H +ATOM 295 N ALA A 21 -12.186 -0.607 -16.587 1.00 1.00 N +ATOM 296 CA ALA A 21 -12.104 0.841 -16.672 1.00 1.00 C +ATOM 297 C ALA A 21 -13.196 1.354 -17.613 1.00 1.00 C +ATOM 298 O ALA A 21 -14.160 1.979 -17.170 1.00 1.00 O +ATOM 299 CB ALA A 21 -10.702 1.247 -17.130 1.00 1.00 C +ATOM 300 H ALA A 21 -11.358 -1.095 -16.863 1.00 1.00 H +ATOM 301 HA ALA A 21 -12.278 1.243 -15.674 1.00 1.00 H +ATOM 302 HB1 ALA A 21 -9.960 0.785 -16.479 1.00 1.00 H +ATOM 303 HB2 ALA A 21 -10.545 0.914 -18.156 1.00 1.00 H +ATOM 304 HB3 ALA A 21 -10.604 2.331 -17.081 1.00 1.00 H +ATOM 305 N GLU A 22 -13.011 1.069 -18.894 1.00 1.00 N +ATOM 306 CA GLU A 22 -13.968 1.495 -19.901 1.00 1.00 C +ATOM 307 C GLU A 22 -15.357 0.940 -19.580 1.00 1.00 C +ATOM 308 O GLU A 22 -16.363 1.623 -19.774 1.00 1.00 O +ATOM 309 CB GLU A 22 -13.518 1.069 -21.300 1.00 1.00 C +ATOM 310 CG GLU A 22 -12.429 -0.003 -21.223 1.00 1.00 C +ATOM 311 CD GLU A 22 -12.238 -0.689 -22.577 1.00 1.00 C +ATOM 312 OE1 GLU A 22 -13.253 -1.185 -23.110 1.00 1.00 O +ATOM 313 OE2 GLU A 22 -11.079 -0.702 -23.049 1.00 1.00 O +ATOM 314 H GLU A 22 -12.225 0.562 -19.245 1.00 1.00 H +ATOM 315 HA GLU A 22 -13.982 2.583 -19.846 1.00 1.00 H +ATOM 316 HB2 GLU A 22 -14.371 0.686 -21.860 1.00 1.00 H +ATOM 317 HB3 GLU A 22 -13.142 1.936 -21.844 1.00 1.00 H +ATOM 318 HG2 GLU A 22 -11.489 0.449 -20.904 1.00 1.00 H +ATOM 319 HG3 GLU A 22 -12.697 -0.745 -20.470 1.00 1.00 H +ATOM 320 N TYR A 23 -15.370 -0.293 -19.094 1.00 1.00 N +ATOM 321 CA TYR A 23 -16.619 -0.947 -18.744 1.00 1.00 C +ATOM 322 C TYR A 23 -17.249 -0.301 -17.509 1.00 1.00 C +ATOM 323 O TYR A 23 -18.254 0.399 -17.614 1.00 1.00 O +ATOM 324 CB TYR A 23 -16.258 -2.398 -18.420 1.00 1.00 C +ATOM 325 CG TYR A 23 -17.469 -3.296 -18.156 1.00 1.00 C +ATOM 326 CD1 TYR A 23 -18.131 -3.224 -16.947 1.00 1.00 C +ATOM 327 CD2 TYR A 23 -17.899 -4.177 -19.128 1.00 1.00 C +ATOM 328 CE1 TYR A 23 -19.270 -4.070 -16.700 1.00 1.00 C +ATOM 329 CE2 TYR A 23 -19.040 -5.022 -18.881 1.00 1.00 C +ATOM 330 CZ TYR A 23 -19.668 -4.926 -17.679 1.00 1.00 C +ATOM 331 OH TYR A 23 -20.744 -5.725 -17.444 1.00 1.00 O +ATOM 332 H TYR A 23 -14.547 -0.841 -18.939 1.00 1.00 H +ATOM 333 HA TYR A 23 -17.302 -0.841 -19.588 1.00 1.00 H +ATOM 334 HB2 TYR A 23 -15.684 -2.813 -19.248 1.00 1.00 H +ATOM 335 HB3 TYR A 23 -15.610 -2.413 -17.544 1.00 1.00 H +ATOM 336 HD1 TYR A 23 -17.791 -2.529 -16.181 1.00 1.00 H +ATOM 337 HD2 TYR A 23 -17.377 -4.232 -20.083 1.00 1.00 H +ATOM 338 HE1 TYR A 23 -19.803 -4.023 -15.750 1.00 1.00 H +ATOM 339 HE2 TYR A 23 -19.389 -5.722 -19.639 1.00 1.00 H +ATOM 340 HH TYR A 23 -21.160 -5.488 -16.567 1.00 1.00 H +ATOM 341 N LEU A 24 -16.631 -0.561 -16.365 1.00 1.00 N +ATOM 342 CA LEU A 24 -17.119 -0.014 -15.110 1.00 1.00 C +ATOM 343 C LEU A 24 -17.465 1.463 -15.303 1.00 1.00 C +ATOM 344 O LEU A 24 -18.358 1.986 -14.640 1.00 1.00 O +ATOM 345 CB LEU A 24 -16.111 -0.268 -13.988 1.00 1.00 C +ATOM 346 CG LEU A 24 -16.695 -0.422 -12.582 1.00 1.00 C +ATOM 347 CD1 LEU A 24 -15.624 -0.872 -11.588 1.00 1.00 C +ATOM 348 CD2 LEU A 24 -17.388 0.867 -12.133 1.00 1.00 C +ATOM 349 H LEU A 24 -15.814 -1.132 -16.288 1.00 1.00 H +ATOM 350 HA LEU A 24 -18.030 -0.552 -14.852 1.00 1.00 H +ATOM 351 HB2 LEU A 24 -15.550 -1.172 -14.227 1.00 1.00 H +ATOM 352 HB3 LEU A 24 -15.396 0.556 -13.974 1.00 1.00 H +ATOM 353 HG LEU A 24 -17.457 -1.201 -12.613 1.00 1.00 H +ATOM 354 HD11 LEU A 24 -14.638 -0.724 -12.026 1.00 1.00 H +ATOM 355 HD12 LEU A 24 -15.708 -0.287 -10.673 1.00 1.00 H +ATOM 356 HD13 LEU A 24 -15.765 -1.928 -11.357 1.00 1.00 H +ATOM 357 HD21 LEU A 24 -16.710 1.709 -12.269 1.00 1.00 H +ATOM 358 HD22 LEU A 24 -18.287 1.024 -12.730 1.00 1.00 H +ATOM 359 HD23 LEU A 24 -17.660 0.786 -11.081 1.00 1.00 H +ATOM 360 N LEU A 25 -16.740 2.094 -16.215 1.00 1.00 N +ATOM 361 CA LEU A 25 -16.959 3.502 -16.503 1.00 1.00 C +ATOM 362 C LEU A 25 -18.423 3.717 -16.891 1.00 1.00 C +ATOM 363 O LEU A 25 -18.769 3.682 -18.070 1.00 1.00 O +ATOM 364 CB LEU A 25 -15.965 3.993 -17.559 1.00 1.00 C +ATOM 365 CG LEU A 25 -16.250 5.373 -18.156 1.00 1.00 C +ATOM 366 CD1 LEU A 25 -15.707 6.483 -17.253 1.00 1.00 C +ATOM 367 CD2 LEU A 25 -15.705 5.476 -19.582 1.00 1.00 C +ATOM 368 H LEU A 25 -16.014 1.662 -16.750 1.00 1.00 H +ATOM 369 HA LEU A 25 -16.759 4.057 -15.588 1.00 1.00 H +ATOM 370 HB2 LEU A 25 -14.971 4.009 -17.112 1.00 1.00 H +ATOM 371 HB3 LEU A 25 -15.939 3.266 -18.370 1.00 1.00 H +ATOM 372 HG LEU A 25 -17.330 5.505 -18.213 1.00 1.00 H +ATOM 373 HD11 LEU A 25 -14.708 6.215 -16.908 1.00 1.00 H +ATOM 374 HD12 LEU A 25 -15.659 7.416 -17.815 1.00 1.00 H +ATOM 375 HD13 LEU A 25 -16.367 6.608 -16.394 1.00 1.00 H +ATOM 376 HD21 LEU A 25 -14.948 4.707 -19.738 1.00 1.00 H +ATOM 377 HD22 LEU A 25 -16.518 5.334 -20.293 1.00 1.00 H +ATOM 378 HD23 LEU A 25 -15.259 6.460 -19.729 1.00 1.00 H +ATOM 379 N SER A 26 -19.244 3.933 -15.874 1.00 1.00 N +ATOM 380 CA SER A 26 -20.664 4.154 -16.093 1.00 1.00 C +ATOM 381 C SER A 26 -20.936 5.644 -16.303 1.00 1.00 C +ATOM 382 O SER A 26 -20.087 6.482 -16.002 1.00 1.00 O +ATOM 383 CB SER A 26 -21.492 3.623 -14.921 1.00 1.00 C +ATOM 384 OG SER A 26 -22.817 4.146 -14.922 1.00 1.00 O +ATOM 385 H SER A 26 -18.956 3.960 -14.916 1.00 1.00 H +ATOM 386 HA SER A 26 -20.908 3.589 -16.994 1.00 1.00 H +ATOM 387 HB2 SER A 26 -21.531 2.535 -14.968 1.00 1.00 H +ATOM 388 HB3 SER A 26 -21.000 3.883 -13.984 1.00 1.00 H +ATOM 389 HG SER A 26 -22.886 4.905 -14.275 1.00 1.00 H +ATOM 390 N SER A 27 -22.124 5.929 -16.818 1.00 1.00 N +ATOM 391 CA SER A 27 -22.517 7.306 -17.071 1.00 1.00 C +ATOM 392 C SER A 27 -22.181 8.178 -15.861 1.00 1.00 C +ATOM 393 O SER A 27 -22.941 8.227 -14.895 1.00 1.00 O +ATOM 394 CB SER A 27 -24.011 7.399 -17.394 1.00 1.00 C +ATOM 395 OG SER A 27 -24.250 8.099 -18.613 1.00 1.00 O +ATOM 396 H SER A 27 -22.808 5.242 -17.060 1.00 1.00 H +ATOM 397 HA SER A 27 -21.937 7.616 -17.941 1.00 1.00 H +ATOM 398 HB2 SER A 27 -24.430 6.396 -17.465 1.00 1.00 H +ATOM 399 HB3 SER A 27 -24.526 7.905 -16.578 1.00 1.00 H +ATOM 400 HG SER A 27 -23.501 7.935 -19.254 1.00 1.00 H +ATOM 401 N GLY A 28 -21.040 8.845 -15.952 1.00 1.00 N +ATOM 402 CA GLY A 28 -20.592 9.715 -14.877 1.00 1.00 C +ATOM 403 C GLY A 28 -20.666 11.184 -15.292 1.00 1.00 C +ATOM 404 O GLY A 28 -21.728 11.672 -15.676 1.00 1.00 O +ATOM 405 H GLY A 28 -20.427 8.800 -16.741 1.00 1.00 H +ATOM 406 HA2 GLY A 28 -21.209 9.550 -13.992 1.00 1.00 H +ATOM 407 HA3 GLY A 28 -19.568 9.461 -14.601 1.00 1.00 H +ATOM 408 N ILE A 29 -19.523 11.850 -15.201 1.00 1.00 N +ATOM 409 CA ILE A 29 -19.445 13.254 -15.564 1.00 1.00 C +ATOM 410 C ILE A 29 -18.699 13.393 -16.893 1.00 1.00 C +ATOM 411 O ILE A 29 -18.019 12.464 -17.327 1.00 1.00 O +ATOM 412 CB ILE A 29 -18.827 14.067 -14.424 1.00 1.00 C +ATOM 413 CG1 ILE A 29 -17.319 14.225 -14.618 1.00 1.00 C +ATOM 414 CG2 ILE A 29 -19.170 13.454 -13.065 1.00 1.00 C +ATOM 415 CD1 ILE A 29 -16.684 14.946 -13.426 1.00 1.00 C +ATOM 416 H ILE A 29 -18.665 11.445 -14.888 1.00 1.00 H +ATOM 417 HA ILE A 29 -20.465 13.614 -15.702 1.00 1.00 H +ATOM 418 HB ILE A 29 -19.261 15.067 -14.444 1.00 1.00 H +ATOM 419 HG12 ILE A 29 -16.859 13.244 -14.741 1.00 1.00 H +ATOM 420 HG13 ILE A 29 -17.123 14.784 -15.533 1.00 1.00 H +ATOM 421 HG21 ILE A 29 -20.079 12.860 -13.153 1.00 1.00 H +ATOM 422 HG22 ILE A 29 -18.350 12.816 -12.738 1.00 1.00 H +ATOM 423 HG23 ILE A 29 -19.324 14.250 -12.336 1.00 1.00 H +ATOM 424 HD11 ILE A 29 -17.468 15.393 -12.815 1.00 1.00 H +ATOM 425 HD12 ILE A 29 -16.119 14.231 -12.828 1.00 1.00 H +ATOM 426 HD13 ILE A 29 -16.015 15.726 -13.788 1.00 1.00 H +ATOM 427 N ASN A 30 -18.852 14.560 -17.501 1.00 1.00 N +ATOM 428 CA ASN A 30 -18.201 14.832 -18.772 1.00 1.00 C +ATOM 429 C ASN A 30 -16.743 15.219 -18.520 1.00 1.00 C +ATOM 430 O ASN A 30 -16.232 16.158 -19.128 1.00 1.00 O +ATOM 431 CB ASN A 30 -18.880 15.994 -19.500 1.00 1.00 C +ATOM 432 CG ASN A 30 -18.882 15.767 -21.013 1.00 1.00 C +ATOM 433 OD1 ASN A 30 -19.859 15.329 -21.599 1.00 1.00 O +ATOM 434 ND2 ASN A 30 -17.738 16.086 -21.609 1.00 1.00 N +ATOM 435 H ASN A 30 -19.407 15.310 -17.141 1.00 1.00 H +ATOM 436 HA ASN A 30 -18.296 13.910 -19.345 1.00 1.00 H +ATOM 437 HB2 ASN A 30 -19.903 16.103 -19.144 1.00 1.00 H +ATOM 438 HB3 ASN A 30 -18.362 16.925 -19.270 1.00 1.00 H +ATOM 439 HD21 ASN A 30 -16.974 16.441 -21.069 1.00 1.00 H +ATOM 440 HD22 ASN A 30 -17.641 15.974 -22.598 1.00 1.00 H +ATOM 441 N GLY A 31 -16.112 14.475 -17.623 1.00 1.00 N +ATOM 442 CA GLY A 31 -14.723 14.728 -17.284 1.00 1.00 C +ATOM 443 C GLY A 31 -14.311 13.943 -16.037 1.00 1.00 C +ATOM 444 O GLY A 31 -14.611 14.349 -14.915 1.00 1.00 O +ATOM 445 H GLY A 31 -16.535 13.713 -17.132 1.00 1.00 H +ATOM 446 HA2 GLY A 31 -14.084 14.450 -18.121 1.00 1.00 H +ATOM 447 HA3 GLY A 31 -14.576 15.794 -17.110 1.00 1.00 H +ATOM 448 N SER A 32 -13.629 12.832 -16.275 1.00 1.00 N +ATOM 449 CA SER A 32 -13.172 11.985 -15.186 1.00 1.00 C +ATOM 450 C SER A 32 -11.908 11.231 -15.604 1.00 1.00 C +ATOM 451 O SER A 32 -11.845 10.680 -16.702 1.00 1.00 O +ATOM 452 CB SER A 32 -14.262 11.000 -14.761 1.00 1.00 C +ATOM 453 OG SER A 32 -14.372 9.902 -15.663 1.00 1.00 O +ATOM 454 H SER A 32 -13.388 12.509 -17.190 1.00 1.00 H +ATOM 455 HA SER A 32 -12.957 12.667 -14.363 1.00 1.00 H +ATOM 456 HB2 SER A 32 -14.043 10.627 -13.760 1.00 1.00 H +ATOM 457 HB3 SER A 32 -15.218 11.520 -14.705 1.00 1.00 H +ATOM 458 HG SER A 32 -13.492 9.434 -15.739 1.00 1.00 H +ATOM 459 N PHE A 33 -10.934 11.231 -14.706 1.00 1.00 N +ATOM 460 CA PHE A 33 -9.675 10.554 -14.968 1.00 1.00 C +ATOM 461 C PHE A 33 -9.174 9.826 -13.718 1.00 1.00 C +ATOM 462 O PHE A 33 -9.460 10.243 -12.597 1.00 1.00 O +ATOM 463 CB PHE A 33 -8.662 11.630 -15.360 1.00 1.00 C +ATOM 464 CG PHE A 33 -9.232 12.725 -16.261 1.00 1.00 C +ATOM 465 CD1 PHE A 33 -10.378 13.367 -15.910 1.00 1.00 C +ATOM 466 CD2 PHE A 33 -8.595 13.057 -17.417 1.00 1.00 C +ATOM 467 CE1 PHE A 33 -10.909 14.383 -16.748 1.00 1.00 C +ATOM 468 CE2 PHE A 33 -9.126 14.073 -18.254 1.00 1.00 C +ATOM 469 CZ PHE A 33 -10.271 14.715 -17.902 1.00 1.00 C +ATOM 470 H PHE A 33 -10.994 11.682 -13.815 1.00 1.00 H +ATOM 471 HA PHE A 33 -9.858 9.826 -15.760 1.00 1.00 H +ATOM 472 HB2 PHE A 33 -8.267 12.089 -14.453 1.00 1.00 H +ATOM 473 HB3 PHE A 33 -7.821 11.155 -15.868 1.00 1.00 H +ATOM 474 HD1 PHE A 33 -10.890 13.101 -14.984 1.00 1.00 H +ATOM 475 HD2 PHE A 33 -7.676 12.541 -17.699 1.00 1.00 H +ATOM 476 HE1 PHE A 33 -11.828 14.898 -16.465 1.00 1.00 H +ATOM 477 HE2 PHE A 33 -8.614 14.339 -19.178 1.00 1.00 H +ATOM 478 HZ PHE A 33 -10.679 15.495 -18.544 1.00 1.00 H +ATOM 479 N LEU A 34 -8.434 8.753 -13.954 1.00 1.00 N +ATOM 480 CA LEU A 34 -7.891 7.964 -12.862 1.00 1.00 C +ATOM 481 C LEU A 34 -6.696 7.153 -13.370 1.00 1.00 C +ATOM 482 O LEU A 34 -6.458 7.080 -14.573 1.00 1.00 O +ATOM 483 CB LEU A 34 -8.986 7.109 -12.221 1.00 1.00 C +ATOM 484 CG LEU A 34 -9.661 6.086 -13.137 1.00 1.00 C +ATOM 485 CD1 LEU A 34 -9.990 6.702 -14.497 1.00 1.00 C +ATOM 486 CD2 LEU A 34 -8.807 4.824 -13.270 1.00 1.00 C +ATOM 487 H LEU A 34 -8.207 8.422 -14.870 1.00 1.00 H +ATOM 488 HA LEU A 34 -7.537 8.659 -12.101 1.00 1.00 H +ATOM 489 HB2 LEU A 34 -8.554 6.579 -11.371 1.00 1.00 H +ATOM 490 HB3 LEU A 34 -9.753 7.775 -11.825 1.00 1.00 H +ATOM 491 HG LEU A 34 -10.604 5.789 -12.681 1.00 1.00 H +ATOM 492 HD11 LEU A 34 -10.375 7.711 -14.356 1.00 1.00 H +ATOM 493 HD12 LEU A 34 -9.088 6.740 -15.107 1.00 1.00 H +ATOM 494 HD13 LEU A 34 -10.743 6.093 -14.999 1.00 1.00 H +ATOM 495 HD21 LEU A 34 -7.770 5.059 -13.031 1.00 1.00 H +ATOM 496 HD22 LEU A 34 -9.175 4.061 -12.584 1.00 1.00 H +ATOM 497 HD23 LEU A 34 -8.867 4.451 -14.292 1.00 1.00 H +ATOM 498 N VAL A 35 -5.976 6.566 -12.424 1.00 1.00 N +ATOM 499 CA VAL A 35 -4.812 5.764 -12.761 1.00 1.00 C +ATOM 500 C VAL A 35 -5.210 4.287 -12.802 1.00 1.00 C +ATOM 501 O VAL A 35 -5.971 3.822 -11.954 1.00 1.00 O +ATOM 502 CB VAL A 35 -3.678 6.050 -11.775 1.00 1.00 C +ATOM 503 CG1 VAL A 35 -2.770 4.828 -11.615 1.00 1.00 C +ATOM 504 CG2 VAL A 35 -2.873 7.278 -12.206 1.00 1.00 C +ATOM 505 H VAL A 35 -6.178 6.631 -11.447 1.00 1.00 H +ATOM 506 HA VAL A 35 -4.481 6.065 -13.754 1.00 1.00 H +ATOM 507 HB VAL A 35 -4.124 6.266 -10.804 1.00 1.00 H +ATOM 508 HG11 VAL A 35 -2.839 4.205 -12.507 1.00 1.00 H +ATOM 509 HG12 VAL A 35 -1.739 5.156 -11.479 1.00 1.00 H +ATOM 510 HG13 VAL A 35 -3.085 4.253 -10.745 1.00 1.00 H +ATOM 511 HG21 VAL A 35 -3.065 7.487 -13.258 1.00 1.00 H +ATOM 512 HG22 VAL A 35 -3.171 8.137 -11.605 1.00 1.00 H +ATOM 513 HG23 VAL A 35 -1.811 7.085 -12.062 1.00 1.00 H +ATOM 514 N ARG A 36 -4.679 3.591 -13.797 1.00 1.00 N +ATOM 515 CA ARG A 36 -4.969 2.176 -13.959 1.00 1.00 C +ATOM 516 C ARG A 36 -3.669 1.370 -14.008 1.00 1.00 C +ATOM 517 O ARG A 36 -2.647 1.863 -14.479 1.00 1.00 O +ATOM 518 CB ARG A 36 -5.768 1.922 -15.239 1.00 1.00 C +ATOM 519 CG ARG A 36 -7.148 1.344 -14.918 1.00 1.00 C +ATOM 520 CD ARG A 36 -8.259 2.233 -15.480 1.00 1.00 C +ATOM 521 NE ARG A 36 -9.490 2.076 -14.672 1.00 1.00 N +ATOM 522 CZ ARG A 36 -10.561 2.874 -14.773 1.00 1.00 C +ATOM 523 NH1 ARG A 36 -10.559 3.890 -15.647 1.00 1.00 N +ATOM 524 NH2 ARG A 36 -11.634 2.657 -14.001 1.00 1.00 N +ATOM 525 H ARG A 36 -4.062 3.978 -14.480 1.00 1.00 H +ATOM 526 HA ARG A 36 -5.562 1.911 -13.083 1.00 1.00 H +ATOM 527 HB2 ARG A 36 -5.880 2.853 -15.793 1.00 1.00 H +ATOM 528 HB3 ARG A 36 -5.221 1.232 -15.882 1.00 1.00 H +ATOM 529 HG2 ARG A 36 -7.233 0.341 -15.335 1.00 1.00 H +ATOM 530 HG3 ARG A 36 -7.265 1.250 -13.837 1.00 1.00 H +ATOM 531 HD2 ARG A 36 -7.940 3.274 -15.475 1.00 1.00 H +ATOM 532 HD3 ARG A 36 -8.458 1.965 -16.518 1.00 1.00 H +ATOM 533 HE ARG A 36 -9.524 1.328 -14.010 1.00 1.00 H +ATOM 534 HH11 ARG A 36 -9.759 4.052 -16.225 1.00 1.00 H +ATOM 535 HH12 ARG A 36 -11.358 4.486 -15.723 1.00 1.00 H +ATOM 536 HH21 ARG A 36 -11.636 1.899 -13.348 1.00 1.00 H +ATOM 537 HH22 ARG A 36 -12.434 3.254 -14.076 1.00 1.00 H +ATOM 538 N GLU A 37 -3.754 0.142 -13.515 1.00 1.00 N +ATOM 539 CA GLU A 37 -2.597 -0.737 -13.498 1.00 1.00 C +ATOM 540 C GLU A 37 -2.634 -1.688 -14.695 1.00 1.00 C +ATOM 541 O GLU A 37 -3.687 -2.232 -15.027 1.00 1.00 O +ATOM 542 CB GLU A 37 -2.519 -1.514 -12.182 1.00 1.00 C +ATOM 543 CG GLU A 37 -1.636 -2.754 -12.330 1.00 1.00 C +ATOM 544 CD GLU A 37 -0.761 -2.955 -11.091 1.00 1.00 C +ATOM 545 OE1 GLU A 37 -1.334 -2.927 -9.980 1.00 1.00 O +ATOM 546 OE2 GLU A 37 0.462 -3.132 -11.283 1.00 1.00 O +ATOM 547 H GLU A 37 -4.590 -0.250 -13.135 1.00 1.00 H +ATOM 548 HA GLU A 37 -1.731 -0.078 -13.575 1.00 1.00 H +ATOM 549 HB2 GLU A 37 -2.120 -0.870 -11.399 1.00 1.00 H +ATOM 550 HB3 GLU A 37 -3.521 -1.810 -11.870 1.00 1.00 H +ATOM 551 HG2 GLU A 37 -2.262 -3.633 -12.483 1.00 1.00 H +ATOM 552 HG3 GLU A 37 -1.006 -2.654 -13.212 1.00 1.00 H +ATOM 553 N SER A 38 -1.474 -1.860 -15.311 1.00 1.00 N +ATOM 554 CA SER A 38 -1.362 -2.736 -16.464 1.00 1.00 C +ATOM 555 C SER A 38 -1.630 -4.184 -16.048 1.00 1.00 C +ATOM 556 O SER A 38 -1.338 -4.575 -14.920 1.00 1.00 O +ATOM 557 CB SER A 38 0.018 -2.618 -17.114 1.00 1.00 C +ATOM 558 OG SER A 38 0.071 -3.276 -18.376 1.00 1.00 O +ATOM 559 H SER A 38 -0.623 -1.413 -15.035 1.00 1.00 H +ATOM 560 HA SER A 38 -2.124 -2.392 -17.165 1.00 1.00 H +ATOM 561 HB2 SER A 38 0.268 -1.564 -17.244 1.00 1.00 H +ATOM 562 HB3 SER A 38 0.769 -3.045 -16.450 1.00 1.00 H +ATOM 563 HG SER A 38 -0.190 -4.235 -18.275 1.00 1.00 H +ATOM 564 N GLU A 39 -2.183 -4.942 -16.985 1.00 1.00 N +ATOM 565 CA GLU A 39 -2.494 -6.338 -16.730 1.00 1.00 C +ATOM 566 C GLU A 39 -1.220 -7.110 -16.380 1.00 1.00 C +ATOM 567 O GLU A 39 -0.149 -6.822 -16.912 1.00 1.00 O +ATOM 568 CB GLU A 39 -3.205 -6.970 -17.929 1.00 1.00 C +ATOM 569 CG GLU A 39 -3.834 -8.312 -17.549 1.00 1.00 C +ATOM 570 CD GLU A 39 -3.201 -9.458 -18.339 1.00 1.00 C +ATOM 571 OE1 GLU A 39 -2.831 -9.206 -19.508 1.00 1.00 O +ATOM 572 OE2 GLU A 39 -3.100 -10.559 -17.758 1.00 1.00 O +ATOM 573 H GLU A 39 -2.418 -4.618 -17.902 1.00 1.00 H +ATOM 574 HA GLU A 39 -3.171 -6.335 -15.876 1.00 1.00 H +ATOM 575 HB2 GLU A 39 -3.978 -6.293 -18.297 1.00 1.00 H +ATOM 576 HB3 GLU A 39 -2.495 -7.114 -18.743 1.00 1.00 H +ATOM 577 HG2 GLU A 39 -3.709 -8.487 -16.481 1.00 1.00 H +ATOM 578 HG3 GLU A 39 -4.907 -8.282 -17.743 1.00 1.00 H +ATOM 579 N SER A 40 -1.378 -8.077 -15.489 1.00 1.00 N +ATOM 580 CA SER A 40 -0.255 -8.893 -15.061 1.00 1.00 C +ATOM 581 C SER A 40 1.061 -8.212 -15.443 1.00 1.00 C +ATOM 582 O SER A 40 1.668 -8.549 -16.459 1.00 1.00 O +ATOM 583 CB SER A 40 -0.325 -10.292 -15.675 1.00 1.00 C +ATOM 584 OG SER A 40 -0.115 -10.268 -17.084 1.00 1.00 O +ATOM 585 H SER A 40 -2.253 -8.306 -15.061 1.00 1.00 H +ATOM 586 HA SER A 40 -0.346 -8.967 -13.978 1.00 1.00 H +ATOM 587 HB2 SER A 40 0.424 -10.932 -15.207 1.00 1.00 H +ATOM 588 HB3 SER A 40 -1.298 -10.734 -15.461 1.00 1.00 H +ATOM 589 HG SER A 40 0.041 -11.197 -17.422 1.00 1.00 H +ATOM 590 N SER A 41 1.464 -7.265 -14.608 1.00 1.00 N +ATOM 591 CA SER A 41 2.696 -6.533 -14.847 1.00 1.00 C +ATOM 592 C SER A 41 3.547 -6.512 -13.575 1.00 1.00 C +ATOM 593 O SER A 41 3.017 -6.614 -12.468 1.00 1.00 O +ATOM 594 CB SER A 41 2.409 -5.105 -15.315 1.00 1.00 C +ATOM 595 OG SER A 41 1.035 -4.759 -15.160 1.00 1.00 O +ATOM 596 H SER A 41 0.965 -6.995 -13.786 1.00 1.00 H +ATOM 597 HA SER A 41 3.208 -7.078 -15.639 1.00 1.00 H +ATOM 598 HB2 SER A 41 3.024 -4.406 -14.750 1.00 1.00 H +ATOM 599 HB3 SER A 41 2.692 -5.003 -16.364 1.00 1.00 H +ATOM 600 HG SER A 41 0.953 -3.909 -14.639 1.00 1.00 H +ATOM 601 N PRO A 42 4.885 -6.376 -13.778 1.00 1.00 N +ATOM 602 CA PRO A 42 5.812 -6.341 -12.662 1.00 1.00 C +ATOM 603 C PRO A 42 5.750 -4.992 -11.939 1.00 1.00 C +ATOM 604 O PRO A 42 6.674 -4.631 -11.213 1.00 1.00 O +ATOM 605 CB PRO A 42 7.175 -6.624 -13.272 1.00 1.00 C +ATOM 606 CG PRO A 42 7.030 -6.348 -14.760 1.00 1.00 C +ATOM 607 CD PRO A 42 5.545 -6.251 -15.074 1.00 1.00 C +ATOM 608 HA PRO A 42 5.561 -7.027 -11.980 1.00 1.00 H +ATOM 609 HB2 PRO A 42 7.941 -5.988 -12.829 1.00 1.00 H +ATOM 610 HB3 PRO A 42 7.475 -7.657 -13.094 1.00 1.00 H +ATOM 611 HG2 PRO A 42 7.538 -5.421 -15.027 1.00 1.00 H +ATOM 612 HG3 PRO A 42 7.493 -7.145 -15.342 1.00 1.00 H +ATOM 613 HD2 PRO A 42 5.303 -5.303 -15.553 1.00 1.00 H +ATOM 614 HD3 PRO A 42 5.234 -7.042 -15.756 1.00 1.00 H +ATOM 615 N GLY A 43 4.652 -4.287 -12.164 1.00 1.00 N +ATOM 616 CA GLY A 43 4.457 -2.987 -11.545 1.00 1.00 C +ATOM 617 C GLY A 43 4.341 -1.887 -12.602 1.00 1.00 C +ATOM 618 O GLY A 43 5.155 -0.966 -12.637 1.00 1.00 O +ATOM 619 H GLY A 43 3.905 -4.588 -12.757 1.00 1.00 H +ATOM 620 HA2 GLY A 43 3.556 -3.004 -10.931 1.00 1.00 H +ATOM 621 HA3 GLY A 43 5.291 -2.769 -10.878 1.00 1.00 H +ATOM 622 N GLN A 44 3.322 -2.020 -13.439 1.00 1.00 N +ATOM 623 CA GLN A 44 3.088 -1.049 -14.493 1.00 1.00 C +ATOM 624 C GLN A 44 1.914 -0.140 -14.128 1.00 1.00 C +ATOM 625 O GLN A 44 0.976 -0.570 -13.459 1.00 1.00 O +ATOM 626 CB GLN A 44 2.847 -1.744 -15.835 1.00 1.00 C +ATOM 627 CG GLN A 44 4.110 -1.722 -16.699 1.00 1.00 C +ATOM 628 CD GLN A 44 4.087 -0.545 -17.676 1.00 1.00 C +ATOM 629 OE1 GLN A 44 3.324 -0.510 -18.628 1.00 1.00 O +ATOM 630 NE2 GLN A 44 4.961 0.414 -17.388 1.00 1.00 N +ATOM 631 H GLN A 44 2.663 -2.772 -13.404 1.00 1.00 H +ATOM 632 HA GLN A 44 4.005 -0.463 -14.555 1.00 1.00 H +ATOM 633 HB2 GLN A 44 2.538 -2.774 -15.664 1.00 1.00 H +ATOM 634 HB3 GLN A 44 2.033 -1.249 -16.364 1.00 1.00 H +ATOM 635 HG2 GLN A 44 4.991 -1.652 -16.060 1.00 1.00 H +ATOM 636 HG3 GLN A 44 4.192 -2.658 -17.253 1.00 1.00 H +ATOM 637 HE21 GLN A 44 5.559 0.324 -16.592 1.00 1.00 H +ATOM 638 HE22 GLN A 44 5.023 1.227 -17.969 1.00 1.00 H +ATOM 639 N ARG A 45 2.003 1.102 -14.584 1.00 1.00 N +ATOM 640 CA ARG A 45 0.959 2.075 -14.313 1.00 1.00 C +ATOM 641 C ARG A 45 0.495 2.733 -15.615 1.00 1.00 C +ATOM 642 O ARG A 45 1.297 2.963 -16.517 1.00 1.00 O +ATOM 643 CB ARG A 45 1.452 3.158 -13.351 1.00 1.00 C +ATOM 644 CG ARG A 45 1.555 2.618 -11.923 1.00 1.00 C +ATOM 645 CD ARG A 45 2.780 1.713 -11.767 1.00 1.00 C +ATOM 646 NE ARG A 45 3.671 2.244 -10.711 1.00 1.00 N +ATOM 647 CZ ARG A 45 4.610 3.176 -10.921 1.00 1.00 C +ATOM 648 NH1 ARG A 45 4.789 3.684 -12.148 1.00 1.00 N +ATOM 649 NH2 ARG A 45 5.374 3.598 -9.903 1.00 1.00 N +ATOM 650 H ARG A 45 2.769 1.444 -15.127 1.00 1.00 H +ATOM 651 HA ARG A 45 0.154 1.501 -13.855 1.00 1.00 H +ATOM 652 HB2 ARG A 45 2.427 3.524 -13.676 1.00 1.00 H +ATOM 653 HB3 ARG A 45 0.769 4.008 -13.373 1.00 1.00 H +ATOM 654 HG2 ARG A 45 1.620 3.447 -11.220 1.00 1.00 H +ATOM 655 HG3 ARG A 45 0.652 2.060 -11.675 1.00 1.00 H +ATOM 656 HD2 ARG A 45 2.464 0.701 -11.512 1.00 1.00 H +ATOM 657 HD3 ARG A 45 3.319 1.650 -12.712 1.00 1.00 H +ATOM 658 HE ARG A 45 3.563 1.887 -9.784 1.00 1.00 H +ATOM 659 HH11 ARG A 45 4.220 3.368 -12.907 1.00 1.00 H +ATOM 660 HH12 ARG A 45 5.491 4.379 -12.304 1.00 1.00 H +ATOM 661 HH21 ARG A 45 5.240 3.220 -8.988 1.00 1.00 H +ATOM 662 HH22 ARG A 45 6.075 4.293 -10.061 1.00 1.00 H +ATOM 663 N SER A 46 -0.799 3.014 -15.670 1.00 1.00 N +ATOM 664 CA SER A 46 -1.379 3.640 -16.846 1.00 1.00 C +ATOM 665 C SER A 46 -2.328 4.763 -16.427 1.00 1.00 C +ATOM 666 O SER A 46 -2.742 4.832 -15.270 1.00 1.00 O +ATOM 667 CB SER A 46 -2.117 2.613 -17.708 1.00 1.00 C +ATOM 668 OG SER A 46 -1.273 2.056 -18.713 1.00 1.00 O +ATOM 669 H SER A 46 -1.444 2.823 -14.931 1.00 1.00 H +ATOM 670 HA SER A 46 -0.533 4.043 -17.404 1.00 1.00 H +ATOM 671 HB2 SER A 46 -2.500 1.816 -17.073 1.00 1.00 H +ATOM 672 HB3 SER A 46 -2.976 3.088 -18.178 1.00 1.00 H +ATOM 673 HG SER A 46 -0.376 1.841 -18.327 1.00 1.00 H +ATOM 674 N ILE A 47 -2.648 5.615 -17.389 1.00 1.00 N +ATOM 675 CA ILE A 47 -3.542 6.732 -17.133 1.00 1.00 C +ATOM 676 C ILE A 47 -4.867 6.494 -17.860 1.00 1.00 C +ATOM 677 O ILE A 47 -4.881 6.035 -19.001 1.00 1.00 O +ATOM 678 CB ILE A 47 -2.867 8.055 -17.502 1.00 1.00 C +ATOM 679 CG1 ILE A 47 -2.910 9.038 -16.332 1.00 1.00 C +ATOM 680 CG2 ILE A 47 -3.479 8.647 -18.772 1.00 1.00 C +ATOM 681 CD1 ILE A 47 -1.502 9.342 -15.818 1.00 1.00 C +ATOM 682 H ILE A 47 -2.307 5.553 -18.326 1.00 1.00 H +ATOM 683 HA ILE A 47 -3.735 6.757 -16.062 1.00 1.00 H +ATOM 684 HB ILE A 47 -1.816 7.854 -17.716 1.00 1.00 H +ATOM 685 HG12 ILE A 47 -3.395 9.963 -16.647 1.00 1.00 H +ATOM 686 HG13 ILE A 47 -3.514 8.622 -15.525 1.00 1.00 H +ATOM 687 HG21 ILE A 47 -4.420 8.142 -18.992 1.00 1.00 H +ATOM 688 HG22 ILE A 47 -3.665 9.712 -18.625 1.00 1.00 H +ATOM 689 HG23 ILE A 47 -2.792 8.511 -19.607 1.00 1.00 H +ATOM 690 HD11 ILE A 47 -0.868 9.642 -16.654 1.00 1.00 H +ATOM 691 HD12 ILE A 47 -1.547 10.151 -15.089 1.00 1.00 H +ATOM 692 HD13 ILE A 47 -1.086 8.451 -15.347 1.00 1.00 H +ATOM 693 N SER A 48 -5.951 6.819 -17.169 1.00 1.00 N +ATOM 694 CA SER A 48 -7.278 6.647 -17.734 1.00 1.00 C +ATOM 695 C SER A 48 -8.034 7.975 -17.708 1.00 1.00 C +ATOM 696 O SER A 48 -8.112 8.629 -16.669 1.00 1.00 O +ATOM 697 CB SER A 48 -8.064 5.574 -16.977 1.00 1.00 C +ATOM 698 OG SER A 48 -7.522 5.330 -15.681 1.00 1.00 O +ATOM 699 H SER A 48 -5.930 7.191 -16.241 1.00 1.00 H +ATOM 700 HA SER A 48 -7.114 6.318 -18.760 1.00 1.00 H +ATOM 701 HB2 SER A 48 -9.104 5.887 -16.880 1.00 1.00 H +ATOM 702 HB3 SER A 48 -8.061 4.647 -17.551 1.00 1.00 H +ATOM 703 HG SER A 48 -6.679 4.796 -15.759 1.00 1.00 H +ATOM 704 N LEU A 49 -8.572 8.336 -18.863 1.00 1.00 N +ATOM 705 CA LEU A 49 -9.319 9.576 -18.988 1.00 1.00 C +ATOM 706 C LEU A 49 -10.662 9.292 -19.662 1.00 1.00 C +ATOM 707 O LEU A 49 -10.725 8.546 -20.637 1.00 1.00 O +ATOM 708 CB LEU A 49 -8.482 10.637 -19.705 1.00 1.00 C +ATOM 709 CG LEU A 49 -6.990 10.330 -19.850 1.00 1.00 C +ATOM 710 CD1 LEU A 49 -6.307 10.269 -18.482 1.00 1.00 C +ATOM 711 CD2 LEU A 49 -6.771 9.048 -20.657 1.00 1.00 C +ATOM 712 H LEU A 49 -8.503 7.798 -19.705 1.00 1.00 H +ATOM 713 HA LEU A 49 -9.510 9.945 -17.980 1.00 1.00 H +ATOM 714 HB2 LEU A 49 -8.901 10.790 -20.700 1.00 1.00 H +ATOM 715 HB3 LEU A 49 -8.588 11.580 -19.168 1.00 1.00 H +ATOM 716 HG LEU A 49 -6.526 11.144 -20.406 1.00 1.00 H +ATOM 717 HD11 LEU A 49 -7.038 10.479 -17.702 1.00 1.00 H +ATOM 718 HD12 LEU A 49 -5.887 9.275 -18.329 1.00 1.00 H +ATOM 719 HD13 LEU A 49 -5.510 11.011 -18.443 1.00 1.00 H +ATOM 720 HD21 LEU A 49 -7.716 8.729 -21.096 1.00 1.00 H +ATOM 721 HD22 LEU A 49 -6.048 9.238 -21.451 1.00 1.00 H +ATOM 722 HD23 LEU A 49 -6.392 8.265 -20.000 1.00 1.00 H +ATOM 723 N ARG A 50 -11.703 9.903 -19.116 1.00 1.00 N +ATOM 724 CA ARG A 50 -13.042 9.724 -19.653 1.00 1.00 C +ATOM 725 C ARG A 50 -13.650 11.079 -20.026 1.00 1.00 C +ATOM 726 O ARG A 50 -13.511 12.050 -19.283 1.00 1.00 O +ATOM 727 CB ARG A 50 -13.953 9.026 -18.642 1.00 1.00 C +ATOM 728 CG ARG A 50 -15.207 9.859 -18.367 1.00 1.00 C +ATOM 729 CD ARG A 50 -16.213 9.731 -19.514 1.00 1.00 C +ATOM 730 NE ARG A 50 -17.112 8.582 -19.273 1.00 1.00 N +ATOM 731 CZ ARG A 50 -18.350 8.691 -18.771 1.00 1.00 C +ATOM 732 NH1 ARG A 50 -18.842 9.896 -18.453 1.00 1.00 N +ATOM 733 NH2 ARG A 50 -19.096 7.593 -18.586 1.00 1.00 N +ATOM 734 H ARG A 50 -11.644 10.509 -18.322 1.00 1.00 H +ATOM 735 HA ARG A 50 -12.906 9.100 -20.536 1.00 1.00 H +ATOM 736 HB2 ARG A 50 -14.239 8.045 -19.023 1.00 1.00 H +ATOM 737 HB3 ARG A 50 -13.410 8.861 -17.711 1.00 1.00 H +ATOM 738 HG2 ARG A 50 -15.668 9.530 -17.436 1.00 1.00 H +ATOM 739 HG3 ARG A 50 -14.931 10.905 -18.234 1.00 1.00 H +ATOM 740 HD2 ARG A 50 -16.794 10.648 -19.602 1.00 1.00 H +ATOM 741 HD3 ARG A 50 -15.684 9.598 -20.458 1.00 1.00 H +ATOM 742 HE ARG A 50 -16.777 7.667 -19.499 1.00 1.00 H +ATOM 743 HH11 ARG A 50 -18.285 10.715 -18.590 1.00 1.00 H +ATOM 744 HH12 ARG A 50 -19.765 9.976 -18.078 1.00 1.00 H +ATOM 745 HH21 ARG A 50 -18.730 6.693 -18.821 1.00 1.00 H +ATOM 746 HH22 ARG A 50 -20.019 7.673 -18.209 1.00 1.00 H +ATOM 747 N TYR A 51 -14.308 11.100 -21.175 1.00 1.00 N +ATOM 748 CA TYR A 51 -14.936 12.320 -21.654 1.00 1.00 C +ATOM 749 C TYR A 51 -16.461 12.225 -21.559 1.00 1.00 C +ATOM 750 O TYR A 51 -17.102 13.083 -20.955 1.00 1.00 O +ATOM 751 CB TYR A 51 -14.537 12.449 -23.126 1.00 1.00 C +ATOM 752 CG TYR A 51 -13.301 13.320 -23.360 1.00 1.00 C +ATOM 753 CD1 TYR A 51 -13.392 14.693 -23.251 1.00 1.00 C +ATOM 754 CD2 TYR A 51 -12.094 12.733 -23.682 1.00 1.00 C +ATOM 755 CE1 TYR A 51 -12.229 15.511 -23.471 1.00 1.00 C +ATOM 756 CE2 TYR A 51 -10.930 13.551 -23.902 1.00 1.00 C +ATOM 757 CZ TYR A 51 -11.055 14.901 -23.787 1.00 1.00 C +ATOM 758 OH TYR A 51 -9.957 15.674 -23.995 1.00 1.00 O +ATOM 759 H TYR A 51 -14.416 10.306 -21.773 1.00 1.00 H +ATOM 760 HA TYR A 51 -14.591 13.144 -21.030 1.00 1.00 H +ATOM 761 HB2 TYR A 51 -14.350 11.455 -23.530 1.00 1.00 H +ATOM 762 HB3 TYR A 51 -15.374 12.868 -23.684 1.00 1.00 H +ATOM 763 HD1 TYR A 51 -14.346 15.157 -22.997 1.00 1.00 H +ATOM 764 HD2 TYR A 51 -12.022 11.648 -23.769 1.00 1.00 H +ATOM 765 HE1 TYR A 51 -12.287 16.597 -23.387 1.00 1.00 H +ATOM 766 HE2 TYR A 51 -9.971 13.100 -24.157 1.00 1.00 H +ATOM 767 HH TYR A 51 -9.667 15.607 -24.951 1.00 1.00 H +ATOM 768 N GLU A 52 -16.996 11.174 -22.162 1.00 1.00 N +ATOM 769 CA GLU A 52 -18.431 10.956 -22.153 1.00 1.00 C +ATOM 770 C GLU A 52 -18.742 9.460 -22.241 1.00 1.00 C +ATOM 771 O GLU A 52 -19.164 8.851 -21.259 1.00 1.00 O +ATOM 772 CB GLU A 52 -19.111 11.725 -23.288 1.00 1.00 C +ATOM 773 CG GLU A 52 -20.573 12.021 -22.952 1.00 1.00 C +ATOM 774 CD GLU A 52 -21.514 11.348 -23.952 1.00 1.00 C +ATOM 775 OE1 GLU A 52 -21.429 11.713 -25.146 1.00 1.00 O +ATOM 776 OE2 GLU A 52 -22.298 10.484 -23.503 1.00 1.00 O +ATOM 777 H GLU A 52 -16.466 10.481 -22.650 1.00 1.00 H +ATOM 778 HA GLU A 52 -18.778 11.349 -21.197 1.00 1.00 H +ATOM 779 HB2 GLU A 52 -18.579 12.659 -23.469 1.00 1.00 H +ATOM 780 HB3 GLU A 52 -19.056 11.145 -24.209 1.00 1.00 H +ATOM 781 HG2 GLU A 52 -20.796 11.671 -21.945 1.00 1.00 H +ATOM 782 HG3 GLU A 52 -20.740 13.099 -22.957 1.00 1.00 H +ATOM 783 N GLY A 53 -18.523 8.911 -23.427 1.00 1.00 N +ATOM 784 CA GLY A 53 -18.774 7.499 -23.656 1.00 1.00 C +ATOM 785 C GLY A 53 -17.518 6.795 -24.174 1.00 1.00 C +ATOM 786 O GLY A 53 -17.608 5.753 -24.822 1.00 1.00 O +ATOM 787 H GLY A 53 -18.180 9.414 -24.221 1.00 1.00 H +ATOM 788 HA2 GLY A 53 -19.101 7.030 -22.729 1.00 1.00 H +ATOM 789 HA3 GLY A 53 -19.582 7.382 -24.376 1.00 1.00 H +ATOM 790 N ARG A 54 -16.374 7.393 -23.869 1.00 1.00 N +ATOM 791 CA ARG A 54 -15.103 6.838 -24.296 1.00 1.00 C +ATOM 792 C ARG A 54 -14.036 7.067 -23.223 1.00 1.00 C +ATOM 793 O ARG A 54 -14.066 8.076 -22.518 1.00 1.00 O +ATOM 794 CB ARG A 54 -14.638 7.469 -25.609 1.00 1.00 C +ATOM 795 CG ARG A 54 -15.533 7.037 -26.772 1.00 1.00 C +ATOM 796 CD ARG A 54 -14.695 6.614 -27.981 1.00 1.00 C +ATOM 797 NE ARG A 54 -15.417 6.932 -29.233 1.00 1.00 N +ATOM 798 CZ ARG A 54 -16.293 6.109 -29.825 1.00 1.00 C +ATOM 799 NH1 ARG A 54 -16.561 4.914 -29.283 1.00 1.00 N +ATOM 800 NH2 ARG A 54 -16.901 6.482 -30.959 1.00 1.00 N +ATOM 801 H ARG A 54 -16.311 8.240 -23.341 1.00 1.00 H +ATOM 802 HA ARG A 54 -15.295 5.774 -24.435 1.00 1.00 H +ATOM 803 HB2 ARG A 54 -14.652 8.555 -25.519 1.00 1.00 H +ATOM 804 HB3 ARG A 54 -13.607 7.180 -25.812 1.00 1.00 H +ATOM 805 HG2 ARG A 54 -16.168 6.208 -26.458 1.00 1.00 H +ATOM 806 HG3 ARG A 54 -16.193 7.858 -27.053 1.00 1.00 H +ATOM 807 HD2 ARG A 54 -13.734 7.128 -27.965 1.00 1.00 H +ATOM 808 HD3 ARG A 54 -14.486 5.545 -27.933 1.00 1.00 H +ATOM 809 HE ARG A 54 -15.240 7.817 -29.665 1.00 1.00 H +ATOM 810 HH11 ARG A 54 -16.108 4.635 -28.436 1.00 1.00 H +ATOM 811 HH12 ARG A 54 -17.215 4.299 -29.724 1.00 1.00 H +ATOM 812 HH21 ARG A 54 -16.702 7.374 -31.364 1.00 1.00 H +ATOM 813 HH22 ARG A 54 -17.555 5.867 -31.401 1.00 1.00 H +ATOM 814 N VAL A 55 -13.119 6.115 -23.130 1.00 1.00 N +ATOM 815 CA VAL A 55 -12.046 6.201 -22.155 1.00 1.00 C +ATOM 816 C VAL A 55 -10.713 5.901 -22.843 1.00 1.00 C +ATOM 817 O VAL A 55 -10.521 4.813 -23.384 1.00 1.00 O +ATOM 818 CB VAL A 55 -12.334 5.269 -20.977 1.00 1.00 C +ATOM 819 CG1 VAL A 55 -11.758 3.874 -21.227 1.00 1.00 C +ATOM 820 CG2 VAL A 55 -11.799 5.856 -19.669 1.00 1.00 C +ATOM 821 H VAL A 55 -13.102 5.298 -23.707 1.00 1.00 H +ATOM 822 HA VAL A 55 -12.024 7.223 -21.779 1.00 1.00 H +ATOM 823 HB VAL A 55 -13.415 5.172 -20.882 1.00 1.00 H +ATOM 824 HG11 VAL A 55 -12.026 3.544 -22.231 1.00 1.00 H +ATOM 825 HG12 VAL A 55 -10.672 3.906 -21.134 1.00 1.00 H +ATOM 826 HG13 VAL A 55 -12.164 3.175 -20.495 1.00 1.00 H +ATOM 827 HG21 VAL A 55 -11.970 6.932 -19.659 1.00 1.00 H +ATOM 828 HG22 VAL A 55 -12.316 5.397 -18.827 1.00 1.00 H +ATOM 829 HG23 VAL A 55 -10.730 5.656 -19.592 1.00 1.00 H +ATOM 830 N TYR A 56 -9.826 6.884 -22.798 1.00 1.00 N +ATOM 831 CA TYR A 56 -8.516 6.739 -23.410 1.00 1.00 C +ATOM 832 C TYR A 56 -7.504 6.171 -22.412 1.00 1.00 C +ATOM 833 O TYR A 56 -7.446 6.609 -21.265 1.00 1.00 O +ATOM 834 CB TYR A 56 -8.080 8.149 -23.814 1.00 1.00 C +ATOM 835 CG TYR A 56 -8.970 8.795 -24.877 1.00 1.00 C +ATOM 836 CD1 TYR A 56 -9.360 8.069 -25.984 1.00 1.00 C +ATOM 837 CD2 TYR A 56 -9.383 10.103 -24.729 1.00 1.00 C +ATOM 838 CE1 TYR A 56 -10.197 8.678 -26.985 1.00 1.00 C +ATOM 839 CE2 TYR A 56 -10.219 10.713 -25.730 1.00 1.00 C +ATOM 840 CZ TYR A 56 -10.586 9.969 -26.809 1.00 1.00 C +ATOM 841 OH TYR A 56 -11.377 10.543 -27.754 1.00 1.00 O +ATOM 842 H TYR A 56 -9.990 7.766 -22.356 1.00 1.00 H +ATOM 843 HA TYR A 56 -8.612 6.052 -24.251 1.00 1.00 H +ATOM 844 HB2 TYR A 56 -8.072 8.783 -22.926 1.00 1.00 H +ATOM 845 HB3 TYR A 56 -7.057 8.110 -24.186 1.00 1.00 H +ATOM 846 HD1 TYR A 56 -9.034 7.036 -26.101 1.00 1.00 H +ATOM 847 HD2 TYR A 56 -9.074 10.677 -23.855 1.00 1.00 H +ATOM 848 HE1 TYR A 56 -10.512 8.116 -27.864 1.00 1.00 H +ATOM 849 HE2 TYR A 56 -10.553 11.745 -25.626 1.00 1.00 H +ATOM 850 HH TYR A 56 -11.257 11.536 -27.743 1.00 1.00 H +ATOM 851 N HIS A 57 -6.733 5.203 -22.886 1.00 1.00 N +ATOM 852 CA HIS A 57 -5.728 4.571 -22.050 1.00 1.00 C +ATOM 853 C HIS A 57 -4.332 4.940 -22.558 1.00 1.00 C +ATOM 854 O HIS A 57 -3.905 4.465 -23.610 1.00 1.00 O +ATOM 855 CB HIS A 57 -5.952 3.059 -21.980 1.00 1.00 C +ATOM 856 CG HIS A 57 -6.981 2.638 -20.958 1.00 1.00 C +ATOM 857 ND1 HIS A 57 -8.275 2.285 -21.298 1.00 1.00 N +ATOM 858 CD2 HIS A 57 -6.893 2.516 -19.603 1.00 1.00 C +ATOM 859 CE1 HIS A 57 -8.927 1.968 -20.189 1.00 1.00 C +ATOM 860 NE2 HIS A 57 -8.069 2.112 -19.140 1.00 1.00 N +ATOM 861 H HIS A 57 -6.788 4.852 -23.822 1.00 1.00 H +ATOM 862 HA HIS A 57 -5.857 4.973 -21.046 1.00 1.00 H +ATOM 863 HB2 HIS A 57 -6.264 2.702 -22.961 1.00 1.00 H +ATOM 864 HB3 HIS A 57 -5.005 2.571 -21.750 1.00 1.00 H +ATOM 865 HD1 HIS A 57 -8.654 2.271 -22.225 1.00 1.00 H +ATOM 866 HD2 HIS A 57 -6.006 2.717 -19.001 1.00 1.00 H +ATOM 867 HE1 HIS A 57 -9.968 1.648 -20.128 1.00 1.00 H +ATOM 868 N TYR A 58 -3.660 5.782 -21.787 1.00 1.00 N +ATOM 869 CA TYR A 58 -2.323 6.220 -22.145 1.00 1.00 C +ATOM 870 C TYR A 58 -1.284 5.661 -21.172 1.00 1.00 C +ATOM 871 O TYR A 58 -1.118 6.181 -20.070 1.00 1.00 O +ATOM 872 CB TYR A 58 -2.336 7.746 -22.039 1.00 1.00 C +ATOM 873 CG TYR A 58 -2.207 8.466 -23.381 1.00 1.00 C +ATOM 874 CD1 TYR A 58 -3.009 8.096 -24.443 1.00 1.00 C +ATOM 875 CD2 TYR A 58 -1.290 9.486 -23.534 1.00 1.00 C +ATOM 876 CE1 TYR A 58 -2.887 8.773 -25.708 1.00 1.00 C +ATOM 877 CE2 TYR A 58 -1.168 10.164 -24.799 1.00 1.00 C +ATOM 878 CZ TYR A 58 -1.974 9.774 -25.822 1.00 1.00 C +ATOM 879 OH TYR A 58 -1.859 10.413 -27.017 1.00 1.00 O +ATOM 880 H TYR A 58 -4.016 6.163 -20.933 1.00 1.00 H +ATOM 881 HA TYR A 58 -2.106 5.853 -23.148 1.00 1.00 H +ATOM 882 HB2 TYR A 58 -3.263 8.059 -21.557 1.00 1.00 H +ATOM 883 HB3 TYR A 58 -1.518 8.062 -21.390 1.00 1.00 H +ATOM 884 HD1 TYR A 58 -3.732 7.290 -24.323 1.00 1.00 H +ATOM 885 HD2 TYR A 58 -0.656 9.779 -22.696 1.00 1.00 H +ATOM 886 HE1 TYR A 58 -3.513 8.491 -26.555 1.00 1.00 H +ATOM 887 HE2 TYR A 58 -0.448 10.971 -24.932 1.00 1.00 H +ATOM 888 HH TYR A 58 -1.109 10.017 -27.547 1.00 1.00 H +ATOM 889 N ARG A 59 -0.611 4.609 -21.614 1.00 1.00 N +ATOM 890 CA ARG A 59 0.408 3.973 -20.796 1.00 1.00 C +ATOM 891 C ARG A 59 1.391 5.019 -20.265 1.00 1.00 C +ATOM 892 O ARG A 59 1.671 6.010 -20.938 1.00 1.00 O +ATOM 893 CB ARG A 59 1.176 2.918 -21.594 1.00 1.00 C +ATOM 894 CG ARG A 59 0.824 1.507 -21.120 1.00 1.00 C +ATOM 895 CD ARG A 59 2.084 0.664 -20.923 1.00 1.00 C +ATOM 896 NE ARG A 59 1.717 -0.751 -20.696 1.00 1.00 N +ATOM 897 CZ ARG A 59 1.503 -1.639 -21.676 1.00 1.00 C +ATOM 898 NH1 ARG A 59 1.620 -1.262 -22.957 1.00 1.00 N +ATOM 899 NH2 ARG A 59 1.173 -2.902 -21.377 1.00 1.00 N +ATOM 900 H ARG A 59 -0.753 4.192 -22.512 1.00 1.00 H +ATOM 901 HA ARG A 59 -0.143 3.503 -19.981 1.00 1.00 H +ATOM 902 HB2 ARG A 59 0.945 3.019 -22.654 1.00 1.00 H +ATOM 903 HB3 ARG A 59 2.249 3.085 -21.485 1.00 1.00 H +ATOM 904 HG2 ARG A 59 0.267 1.563 -20.185 1.00 1.00 H +ATOM 905 HG3 ARG A 59 0.173 1.028 -21.851 1.00 1.00 H +ATOM 906 HD2 ARG A 59 2.728 0.745 -21.798 1.00 1.00 H +ATOM 907 HD3 ARG A 59 2.654 1.040 -20.071 1.00 1.00 H +ATOM 908 HE ARG A 59 1.622 -1.065 -19.751 1.00 1.00 H +ATOM 909 HH11 ARG A 59 1.867 -0.319 -23.181 1.00 1.00 H +ATOM 910 HH12 ARG A 59 1.460 -1.924 -23.689 1.00 1.00 H +ATOM 911 HH21 ARG A 59 1.086 -3.184 -20.421 1.00 1.00 H +ATOM 912 HH22 ARG A 59 1.014 -3.565 -22.110 1.00 1.00 H +ATOM 913 N ILE A 60 1.887 4.762 -19.064 1.00 1.00 N +ATOM 914 CA ILE A 60 2.833 5.669 -18.435 1.00 1.00 C +ATOM 915 C ILE A 60 4.139 5.668 -19.231 1.00 1.00 C +ATOM 916 O ILE A 60 4.367 4.786 -20.056 1.00 1.00 O +ATOM 917 CB ILE A 60 3.013 5.314 -16.958 1.00 1.00 C +ATOM 918 CG1 ILE A 60 1.699 5.479 -16.191 1.00 1.00 C +ATOM 919 CG2 ILE A 60 4.147 6.130 -16.332 1.00 1.00 C +ATOM 920 CD1 ILE A 60 1.536 6.914 -15.682 1.00 1.00 C +ATOM 921 H ILE A 60 1.654 3.953 -18.524 1.00 1.00 H +ATOM 922 HA ILE A 60 2.403 6.669 -18.477 1.00 1.00 H +ATOM 923 HB ILE A 60 3.296 4.264 -16.890 1.00 1.00 H +ATOM 924 HG12 ILE A 60 0.860 5.222 -16.839 1.00 1.00 H +ATOM 925 HG13 ILE A 60 1.676 4.786 -15.350 1.00 1.00 H +ATOM 926 HG21 ILE A 60 3.965 7.192 -16.501 1.00 1.00 H +ATOM 927 HG22 ILE A 60 4.188 5.933 -15.261 1.00 1.00 H +ATOM 928 HG23 ILE A 60 5.093 5.845 -16.791 1.00 1.00 H +ATOM 929 HD11 ILE A 60 2.415 7.196 -15.104 1.00 1.00 H +ATOM 930 HD12 ILE A 60 1.426 7.589 -16.530 1.00 1.00 H +ATOM 931 HD13 ILE A 60 0.650 6.976 -15.051 1.00 1.00 H +ATOM 932 N ASN A 61 4.964 6.667 -18.954 1.00 1.00 N +ATOM 933 CA ASN A 61 6.242 6.793 -19.634 1.00 1.00 C +ATOM 934 C ASN A 61 7.317 7.188 -18.621 1.00 1.00 C +ATOM 935 O ASN A 61 7.183 8.196 -17.929 1.00 1.00 O +ATOM 936 CB ASN A 61 6.187 7.877 -20.713 1.00 1.00 C +ATOM 937 CG ASN A 61 7.582 8.157 -21.278 1.00 1.00 C +ATOM 938 OD1 ASN A 61 8.577 7.595 -20.853 1.00 1.00 O +ATOM 939 ND2 ASN A 61 7.596 9.055 -22.259 1.00 1.00 N +ATOM 940 H ASN A 61 4.772 7.381 -18.281 1.00 1.00 H +ATOM 941 HA ASN A 61 6.427 5.815 -20.078 1.00 1.00 H +ATOM 942 HB2 ASN A 61 5.521 7.562 -21.516 1.00 1.00 H +ATOM 943 HB3 ASN A 61 5.771 8.793 -20.292 1.00 1.00 H +ATOM 944 HD21 ASN A 61 6.742 9.480 -22.562 1.00 1.00 H +ATOM 945 HD22 ASN A 61 8.461 9.307 -22.694 1.00 1.00 H +ATOM 946 N THR A 62 8.361 6.373 -18.563 1.00 1.00 N +ATOM 947 CA THR A 62 9.458 6.625 -17.646 1.00 1.00 C +ATOM 948 C THR A 62 10.752 6.884 -18.420 1.00 1.00 C +ATOM 949 O THR A 62 11.021 6.227 -19.425 1.00 1.00 O +ATOM 950 CB THR A 62 9.553 5.438 -16.685 1.00 1.00 C +ATOM 951 OG1 THR A 62 8.345 5.506 -15.930 1.00 1.00 O +ATOM 952 CG2 THR A 62 10.656 5.617 -15.640 1.00 1.00 C +ATOM 953 H THR A 62 8.462 5.554 -19.130 1.00 1.00 H +ATOM 954 HA THR A 62 9.235 7.532 -17.085 1.00 1.00 H +ATOM 955 HB THR A 62 9.681 4.504 -17.231 1.00 1.00 H +ATOM 956 HG1 THR A 62 7.742 4.751 -16.181 1.00 1.00 H +ATOM 957 HG21 THR A 62 11.010 6.648 -15.658 1.00 1.00 H +ATOM 958 HG22 THR A 62 10.261 5.385 -14.651 1.00 1.00 H +ATOM 959 HG23 THR A 62 11.484 4.946 -15.867 1.00 1.00 H +ATOM 960 N ALA A 63 11.519 7.844 -17.923 1.00 1.00 N +ATOM 961 CA ALA A 63 12.778 8.197 -18.556 1.00 1.00 C +ATOM 962 C ALA A 63 13.831 7.142 -18.214 1.00 1.00 C +ATOM 963 O ALA A 63 13.683 6.406 -17.239 1.00 1.00 O +ATOM 964 CB ALA A 63 13.196 9.601 -18.114 1.00 1.00 C +ATOM 965 H ALA A 63 11.294 8.373 -17.106 1.00 1.00 H +ATOM 966 HA ALA A 63 12.618 8.202 -19.635 1.00 1.00 H +ATOM 967 HB1 ALA A 63 12.850 9.779 -17.095 1.00 1.00 H +ATOM 968 HB2 ALA A 63 14.282 9.685 -18.149 1.00 1.00 H +ATOM 969 HB3 ALA A 63 12.752 10.339 -18.782 1.00 1.00 H +ATOM 970 N SER A 64 14.871 7.099 -19.035 1.00 1.00 N +ATOM 971 CA SER A 64 15.947 6.146 -18.831 1.00 1.00 C +ATOM 972 C SER A 64 16.508 6.284 -17.413 1.00 1.00 C +ATOM 973 O SER A 64 17.034 5.323 -16.854 1.00 1.00 O +ATOM 974 CB SER A 64 17.059 6.342 -19.862 1.00 1.00 C +ATOM 975 OG SER A 64 17.542 7.684 -19.880 1.00 1.00 O +ATOM 976 H SER A 64 14.982 7.701 -19.825 1.00 1.00 H +ATOM 977 HA SER A 64 15.494 5.164 -18.969 1.00 1.00 H +ATOM 978 HB2 SER A 64 17.884 5.664 -19.640 1.00 1.00 H +ATOM 979 HB3 SER A 64 16.688 6.077 -20.851 1.00 1.00 H +ATOM 980 HG SER A 64 16.815 8.303 -20.180 1.00 1.00 H +ATOM 981 N ASP A 65 16.374 7.486 -16.873 1.00 1.00 N +ATOM 982 CA ASP A 65 16.859 7.763 -15.532 1.00 1.00 C +ATOM 983 C ASP A 65 15.947 7.077 -14.512 1.00 1.00 C +ATOM 984 O ASP A 65 16.418 6.315 -13.666 1.00 1.00 O +ATOM 985 CB ASP A 65 16.849 9.265 -15.240 1.00 1.00 C +ATOM 986 CG ASP A 65 15.694 10.039 -15.879 1.00 1.00 C +ATOM 987 OD1 ASP A 65 14.547 9.820 -15.432 1.00 1.00 O +ATOM 988 OD2 ASP A 65 15.984 10.833 -16.800 1.00 1.00 O +ATOM 989 H ASP A 65 15.944 8.262 -17.334 1.00 1.00 H +ATOM 990 HA ASP A 65 17.877 7.373 -15.510 1.00 1.00 H +ATOM 991 HB2 ASP A 65 16.810 9.409 -14.160 1.00 1.00 H +ATOM 992 HB3 ASP A 65 17.789 9.693 -15.585 1.00 1.00 H +ATOM 993 N GLY A 66 14.660 7.370 -14.625 1.00 1.00 N +ATOM 994 CA GLY A 66 13.679 6.791 -13.725 1.00 1.00 C +ATOM 995 C GLY A 66 12.453 7.696 -13.593 1.00 1.00 C +ATOM 996 O GLY A 66 11.338 7.215 -13.395 1.00 1.00 O +ATOM 997 H GLY A 66 14.287 7.990 -15.316 1.00 1.00 H +ATOM 998 HA2 GLY A 66 13.374 5.812 -14.094 1.00 1.00 H +ATOM 999 HA3 GLY A 66 14.128 6.637 -12.744 1.00 1.00 H +ATOM 1000 N LYS A 67 12.701 8.994 -13.710 1.00 1.00 N +ATOM 1001 CA LYS A 67 11.631 9.970 -13.607 1.00 1.00 C +ATOM 1002 C LYS A 67 10.477 9.557 -14.523 1.00 1.00 C +ATOM 1003 O LYS A 67 10.681 8.830 -15.493 1.00 1.00 O +ATOM 1004 CB LYS A 67 12.163 11.378 -13.884 1.00 1.00 C +ATOM 1005 CG LYS A 67 13.486 11.618 -13.156 1.00 1.00 C +ATOM 1006 CD LYS A 67 13.739 13.114 -12.957 1.00 1.00 C +ATOM 1007 CE LYS A 67 15.236 13.428 -13.006 1.00 1.00 C +ATOM 1008 NZ LYS A 67 15.477 14.854 -12.694 1.00 1.00 N +ATOM 1009 H LYS A 67 13.609 9.377 -13.870 1.00 1.00 H +ATOM 1010 HA LYS A 67 11.274 9.959 -12.576 1.00 1.00 H +ATOM 1011 HB2 LYS A 67 12.304 11.512 -14.958 1.00 1.00 H +ATOM 1012 HB3 LYS A 67 11.428 12.119 -13.566 1.00 1.00 H +ATOM 1013 HG2 LYS A 67 13.469 11.116 -12.189 1.00 1.00 H +ATOM 1014 HG3 LYS A 67 14.304 11.180 -13.727 1.00 1.00 H +ATOM 1015 HD2 LYS A 67 13.220 13.680 -13.731 1.00 1.00 H +ATOM 1016 HD3 LYS A 67 13.329 13.431 -11.999 1.00 1.00 H +ATOM 1017 HE2 LYS A 67 15.768 12.799 -12.293 1.00 1.00 H +ATOM 1018 HE3 LYS A 67 15.631 13.194 -13.994 1.00 1.00 H +ATOM 1019 HZ1 LYS A 67 14.707 15.215 -12.169 1.00 1.00 H +ATOM 1020 HZ2 LYS A 67 16.317 14.941 -12.158 1.00 1.00 H +ATOM 1021 HZ3 LYS A 67 15.570 15.370 -13.545 1.00 1.00 H +ATOM 1022 N LEU A 68 9.291 10.039 -14.182 1.00 1.00 N +ATOM 1023 CA LEU A 68 8.106 9.729 -14.963 1.00 1.00 C +ATOM 1024 C LEU A 68 7.720 10.947 -15.804 1.00 1.00 C +ATOM 1025 O LEU A 68 7.188 11.924 -15.280 1.00 1.00 O +ATOM 1026 CB LEU A 68 6.981 9.230 -14.053 1.00 1.00 C +ATOM 1027 CG LEU A 68 7.112 7.790 -13.554 1.00 1.00 C +ATOM 1028 CD1 LEU A 68 7.065 7.731 -12.026 1.00 1.00 C +ATOM 1029 CD2 LEU A 68 6.052 6.889 -14.194 1.00 1.00 C +ATOM 1030 H LEU A 68 9.134 10.632 -13.393 1.00 1.00 H +ATOM 1031 HA LEU A 68 8.363 8.911 -15.637 1.00 1.00 H +ATOM 1032 HB2 LEU A 68 6.921 9.889 -13.187 1.00 1.00 H +ATOM 1033 HB3 LEU A 68 6.037 9.324 -14.591 1.00 1.00 H +ATOM 1034 HG LEU A 68 8.084 7.408 -13.862 1.00 1.00 H +ATOM 1035 HD11 LEU A 68 6.436 8.539 -11.651 1.00 1.00 H +ATOM 1036 HD12 LEU A 68 6.654 6.772 -11.711 1.00 1.00 H +ATOM 1037 HD13 LEU A 68 8.075 7.843 -11.628 1.00 1.00 H +ATOM 1038 HD21 LEU A 68 5.395 7.492 -14.821 1.00 1.00 H +ATOM 1039 HD22 LEU A 68 6.540 6.130 -14.804 1.00 1.00 H +ATOM 1040 HD23 LEU A 68 5.465 6.407 -13.412 1.00 1.00 H +ATOM 1041 N TYR A 69 8.004 10.848 -17.095 1.00 1.00 N +ATOM 1042 CA TYR A 69 7.694 11.931 -18.014 1.00 1.00 C +ATOM 1043 C TYR A 69 6.844 11.430 -19.183 1.00 1.00 C +ATOM 1044 O TYR A 69 7.142 10.392 -19.772 1.00 1.00 O +ATOM 1045 CB TYR A 69 9.038 12.427 -18.551 1.00 1.00 C +ATOM 1046 CG TYR A 69 9.557 11.636 -19.754 1.00 1.00 C +ATOM 1047 CD1 TYR A 69 10.053 10.360 -19.579 1.00 1.00 C +ATOM 1048 CD2 TYR A 69 9.529 12.199 -21.014 1.00 1.00 C +ATOM 1049 CE1 TYR A 69 10.542 9.616 -20.711 1.00 1.00 C +ATOM 1050 CE2 TYR A 69 10.018 11.455 -22.146 1.00 1.00 C +ATOM 1051 CZ TYR A 69 10.501 10.202 -21.939 1.00 1.00 C +ATOM 1052 OH TYR A 69 10.962 9.499 -23.008 1.00 1.00 O +ATOM 1053 H TYR A 69 8.437 10.050 -17.513 1.00 1.00 H +ATOM 1054 HA TYR A 69 7.133 12.688 -17.466 1.00 1.00 H +ATOM 1055 HB2 TYR A 69 8.941 13.474 -18.833 1.00 1.00 H +ATOM 1056 HB3 TYR A 69 9.777 12.378 -17.751 1.00 1.00 H +ATOM 1057 HD1 TYR A 69 10.075 9.915 -18.584 1.00 1.00 H +ATOM 1058 HD2 TYR A 69 9.136 13.207 -21.151 1.00 1.00 H +ATOM 1059 HE1 TYR A 69 10.937 8.608 -20.587 1.00 1.00 H +ATOM 1060 HE2 TYR A 69 10.002 11.889 -23.146 1.00 1.00 H +ATOM 1061 HH TYR A 69 10.203 9.260 -23.614 1.00 1.00 H +ATOM 1062 N VAL A 70 5.804 12.193 -19.486 1.00 1.00 N +ATOM 1063 CA VAL A 70 4.909 11.838 -20.576 1.00 1.00 C +ATOM 1064 C VAL A 70 5.410 12.481 -21.871 1.00 1.00 C +ATOM 1065 O VAL A 70 5.262 11.909 -22.950 1.00 1.00 O +ATOM 1066 CB VAL A 70 3.474 12.239 -20.225 1.00 1.00 C +ATOM 1067 CG1 VAL A 70 2.490 11.719 -21.275 1.00 1.00 C +ATOM 1068 CG2 VAL A 70 3.094 11.747 -18.828 1.00 1.00 C +ATOM 1069 H VAL A 70 5.569 13.035 -19.004 1.00 1.00 H +ATOM 1070 HA VAL A 70 4.940 10.755 -20.687 1.00 1.00 H +ATOM 1071 HB VAL A 70 3.420 13.327 -20.225 1.00 1.00 H +ATOM 1072 HG11 VAL A 70 2.670 10.659 -21.450 1.00 1.00 H +ATOM 1073 HG12 VAL A 70 1.469 11.862 -20.917 1.00 1.00 H +ATOM 1074 HG13 VAL A 70 2.627 12.270 -22.207 1.00 1.00 H +ATOM 1075 HG21 VAL A 70 3.679 10.862 -18.582 1.00 1.00 H +ATOM 1076 HG22 VAL A 70 3.299 12.532 -18.099 1.00 1.00 H +ATOM 1077 HG23 VAL A 70 2.033 11.500 -18.806 1.00 1.00 H +ATOM 1078 N SER A 71 5.992 13.662 -21.721 1.00 1.00 N +ATOM 1079 CA SER A 71 6.515 14.389 -22.865 1.00 1.00 C +ATOM 1080 C SER A 71 8.043 14.441 -22.797 1.00 1.00 C +ATOM 1081 O SER A 71 8.722 13.580 -23.355 1.00 1.00 O +ATOM 1082 CB SER A 71 5.938 15.805 -22.929 1.00 1.00 C +ATOM 1083 OG SER A 71 6.538 16.580 -23.964 1.00 1.00 O +ATOM 1084 H SER A 71 6.107 14.121 -20.839 1.00 1.00 H +ATOM 1085 HA SER A 71 6.189 13.825 -23.740 1.00 1.00 H +ATOM 1086 HB2 SER A 71 4.862 15.750 -23.094 1.00 1.00 H +ATOM 1087 HB3 SER A 71 6.089 16.301 -21.970 1.00 1.00 H +ATOM 1088 HG SER A 71 7.357 16.118 -24.305 1.00 1.00 H +ATOM 1089 N SER A 72 8.538 15.460 -22.110 1.00 1.00 N +ATOM 1090 CA SER A 72 9.974 15.634 -21.963 1.00 1.00 C +ATOM 1091 C SER A 72 10.266 16.884 -21.129 1.00 1.00 C +ATOM 1092 O SER A 72 11.121 16.858 -20.246 1.00 1.00 O +ATOM 1093 CB SER A 72 10.659 15.737 -23.328 1.00 1.00 C +ATOM 1094 OG SER A 72 11.559 14.655 -23.555 1.00 1.00 O +ATOM 1095 H SER A 72 7.979 16.155 -21.660 1.00 1.00 H +ATOM 1096 HA SER A 72 10.322 14.740 -21.448 1.00 1.00 H +ATOM 1097 HB2 SER A 72 9.903 15.749 -24.114 1.00 1.00 H +ATOM 1098 HB3 SER A 72 11.201 16.679 -23.392 1.00 1.00 H +ATOM 1099 HG SER A 72 11.795 14.218 -22.686 1.00 1.00 H +ATOM 1100 N GLU A 73 9.537 17.946 -21.439 1.00 1.00 N +ATOM 1101 CA GLU A 73 9.708 19.203 -20.728 1.00 1.00 C +ATOM 1102 C GLU A 73 8.853 19.215 -19.460 1.00 1.00 C +ATOM 1103 O GLU A 73 8.856 20.193 -18.714 1.00 1.00 O +ATOM 1104 CB GLU A 73 9.370 20.392 -21.629 1.00 1.00 C +ATOM 1105 CG GLU A 73 8.415 19.978 -22.750 1.00 1.00 C +ATOM 1106 CD GLU A 73 7.857 21.203 -23.478 1.00 1.00 C +ATOM 1107 OE1 GLU A 73 8.636 21.814 -24.240 1.00 1.00 O +ATOM 1108 OE2 GLU A 73 6.664 21.500 -23.255 1.00 1.00 O +ATOM 1109 H GLU A 73 8.844 17.959 -22.159 1.00 1.00 H +ATOM 1110 HA GLU A 73 10.764 19.244 -20.464 1.00 1.00 H +ATOM 1111 HB2 GLU A 73 8.917 21.185 -21.036 1.00 1.00 H +ATOM 1112 HB3 GLU A 73 10.284 20.799 -22.059 1.00 1.00 H +ATOM 1113 HG2 GLU A 73 8.937 19.335 -23.459 1.00 1.00 H +ATOM 1114 HG3 GLU A 73 7.594 19.392 -22.335 1.00 1.00 H +ATOM 1115 N SER A 74 8.140 18.117 -19.255 1.00 1.00 N +ATOM 1116 CA SER A 74 7.281 17.990 -18.090 1.00 1.00 C +ATOM 1117 C SER A 74 7.515 16.638 -17.414 1.00 1.00 C +ATOM 1118 O SER A 74 6.612 15.802 -17.362 1.00 1.00 O +ATOM 1119 CB SER A 74 5.807 18.146 -18.471 1.00 1.00 C +ATOM 1120 OG SER A 74 5.626 19.094 -19.519 1.00 1.00 O +ATOM 1121 H SER A 74 8.143 17.327 -19.866 1.00 1.00 H +ATOM 1122 HA SER A 74 7.573 18.804 -17.425 1.00 1.00 H +ATOM 1123 HB2 SER A 74 5.409 17.181 -18.782 1.00 1.00 H +ATOM 1124 HB3 SER A 74 5.239 18.459 -17.595 1.00 1.00 H +ATOM 1125 HG SER A 74 6.242 19.870 -19.390 1.00 1.00 H +ATOM 1126 N ARG A 75 8.727 16.463 -16.913 1.00 1.00 N +ATOM 1127 CA ARG A 75 9.090 15.226 -16.242 1.00 1.00 C +ATOM 1128 C ARG A 75 8.743 15.307 -14.754 1.00 1.00 C +ATOM 1129 O ARG A 75 8.829 16.376 -14.151 1.00 1.00 O +ATOM 1130 CB ARG A 75 10.584 14.934 -16.395 1.00 1.00 C +ATOM 1131 CG ARG A 75 11.223 15.867 -17.426 1.00 1.00 C +ATOM 1132 CD ARG A 75 12.525 15.276 -17.969 1.00 1.00 C +ATOM 1133 NE ARG A 75 13.347 16.342 -18.584 1.00 1.00 N +ATOM 1134 CZ ARG A 75 13.632 16.410 -19.891 1.00 1.00 C +ATOM 1135 NH1 ARG A 75 13.163 15.476 -20.729 1.00 1.00 N +ATOM 1136 NH2 ARG A 75 14.386 17.414 -20.361 1.00 1.00 N +ATOM 1137 H ARG A 75 9.455 17.147 -16.959 1.00 1.00 H +ATOM 1138 HA ARG A 75 8.501 14.456 -16.740 1.00 1.00 H +ATOM 1139 HB2 ARG A 75 11.082 15.053 -15.434 1.00 1.00 H +ATOM 1140 HB3 ARG A 75 10.727 13.897 -16.701 1.00 1.00 H +ATOM 1141 HG2 ARG A 75 10.527 16.038 -18.247 1.00 1.00 H +ATOM 1142 HG3 ARG A 75 11.422 16.837 -16.970 1.00 1.00 H +ATOM 1143 HD2 ARG A 75 13.081 14.796 -17.162 1.00 1.00 H +ATOM 1144 HD3 ARG A 75 12.304 14.504 -18.706 1.00 1.00 H +ATOM 1145 HE ARG A 75 13.713 17.055 -17.986 1.00 1.00 H +ATOM 1146 HH11 ARG A 75 12.601 14.727 -20.379 1.00 1.00 H +ATOM 1147 HH12 ARG A 75 13.376 15.527 -21.705 1.00 1.00 H +ATOM 1148 HH21 ARG A 75 14.736 18.111 -19.735 1.00 1.00 H +ATOM 1149 HH22 ARG A 75 14.599 17.465 -21.336 1.00 1.00 H +ATOM 1150 N PHE A 76 8.359 14.164 -14.205 1.00 1.00 N +ATOM 1151 CA PHE A 76 8.000 14.092 -12.799 1.00 1.00 C +ATOM 1152 C PHE A 76 8.587 12.840 -12.145 1.00 1.00 C +ATOM 1153 O PHE A 76 9.298 12.073 -12.794 1.00 1.00 O +ATOM 1154 CB PHE A 76 6.473 14.021 -12.732 1.00 1.00 C +ATOM 1155 CG PHE A 76 5.761 15.093 -13.560 1.00 1.00 C +ATOM 1156 CD1 PHE A 76 5.516 16.317 -13.020 1.00 1.00 C +ATOM 1157 CD2 PHE A 76 5.376 14.822 -14.835 1.00 1.00 C +ATOM 1158 CE1 PHE A 76 4.857 17.313 -13.789 1.00 1.00 C +ATOM 1159 CE2 PHE A 76 4.716 15.817 -15.604 1.00 1.00 C +ATOM 1160 CZ PHE A 76 4.470 17.041 -15.066 1.00 1.00 C +ATOM 1161 H PHE A 76 8.292 13.299 -14.703 1.00 1.00 H +ATOM 1162 HA PHE A 76 8.409 14.979 -12.314 1.00 1.00 H +ATOM 1163 HB2 PHE A 76 6.149 13.038 -13.074 1.00 1.00 H +ATOM 1164 HB3 PHE A 76 6.161 14.114 -11.692 1.00 1.00 H +ATOM 1165 HD1 PHE A 76 5.826 16.535 -11.999 1.00 1.00 H +ATOM 1166 HD2 PHE A 76 5.574 13.840 -15.268 1.00 1.00 H +ATOM 1167 HE1 PHE A 76 4.660 18.293 -13.358 1.00 1.00 H +ATOM 1168 HE2 PHE A 76 4.407 15.600 -16.627 1.00 1.00 H +ATOM 1169 HZ PHE A 76 3.964 17.804 -15.656 1.00 1.00 H +ATOM 1170 N ASN A 77 8.267 12.672 -10.871 1.00 1.00 N +ATOM 1171 CA ASN A 77 8.755 11.524 -10.122 1.00 1.00 C +ATOM 1172 C ASN A 77 7.597 10.556 -9.873 1.00 1.00 C +ATOM 1173 O ASN A 77 7.733 9.352 -10.094 1.00 1.00 O +ATOM 1174 CB ASN A 77 9.315 11.951 -8.764 1.00 1.00 C +ATOM 1175 CG ASN A 77 8.462 11.395 -7.621 1.00 1.00 C +ATOM 1176 OD1 ASN A 77 8.441 10.207 -7.351 1.00 1.00 O +ATOM 1177 ND2 ASN A 77 7.766 12.320 -6.968 1.00 1.00 N +ATOM 1178 H ASN A 77 7.689 13.300 -10.351 1.00 1.00 H +ATOM 1179 HA ASN A 77 9.538 11.090 -10.744 1.00 1.00 H +ATOM 1180 HB2 ASN A 77 10.341 11.597 -8.663 1.00 1.00 H +ATOM 1181 HB3 ASN A 77 9.345 13.039 -8.704 1.00 1.00 H +ATOM 1182 HD21 ASN A 77 7.829 13.280 -7.241 1.00 1.00 H +ATOM 1183 HD22 ASN A 77 7.178 12.056 -6.204 1.00 1.00 H +ATOM 1184 N THR A 78 6.486 11.115 -9.418 1.00 1.00 N +ATOM 1185 CA THR A 78 5.307 10.313 -9.137 1.00 1.00 C +ATOM 1186 C THR A 78 4.196 10.631 -10.139 1.00 1.00 C +ATOM 1187 O THR A 78 4.001 11.787 -10.510 1.00 1.00 O +ATOM 1188 CB THR A 78 4.902 10.562 -7.682 1.00 1.00 C +ATOM 1189 OG1 THR A 78 5.239 9.349 -7.015 1.00 1.00 O +ATOM 1190 CG2 THR A 78 3.386 10.676 -7.508 1.00 1.00 C +ATOM 1191 H THR A 78 6.385 12.093 -9.240 1.00 1.00 H +ATOM 1192 HA THR A 78 5.565 9.263 -9.268 1.00 1.00 H +ATOM 1193 HB THR A 78 5.407 11.442 -7.284 1.00 1.00 H +ATOM 1194 HG1 THR A 78 4.916 8.566 -7.546 1.00 1.00 H +ATOM 1195 HG21 THR A 78 3.002 11.459 -8.160 1.00 1.00 H +ATOM 1196 HG22 THR A 78 2.919 9.725 -7.767 1.00 1.00 H +ATOM 1197 HG23 THR A 78 3.158 10.922 -6.470 1.00 1.00 H +ATOM 1198 N LEU A 79 3.495 9.583 -10.549 1.00 1.00 N +ATOM 1199 CA LEU A 79 2.410 9.736 -11.502 1.00 1.00 C +ATOM 1200 C LEU A 79 1.565 10.951 -11.115 1.00 1.00 C +ATOM 1201 O LEU A 79 1.218 11.768 -11.967 1.00 1.00 O +ATOM 1202 CB LEU A 79 1.606 8.439 -11.611 1.00 1.00 C +ATOM 1203 CG LEU A 79 1.494 7.610 -10.330 1.00 1.00 C +ATOM 1204 CD1 LEU A 79 0.143 6.896 -10.255 1.00 1.00 C +ATOM 1205 CD2 LEU A 79 2.665 6.632 -10.203 1.00 1.00 C +ATOM 1206 H LEU A 79 3.661 8.646 -10.243 1.00 1.00 H +ATOM 1207 HA LEU A 79 2.855 9.922 -12.479 1.00 1.00 H +ATOM 1208 HB2 LEU A 79 0.600 8.685 -11.949 1.00 1.00 H +ATOM 1209 HB3 LEU A 79 2.059 7.816 -12.383 1.00 1.00 H +ATOM 1210 HG LEU A 79 1.546 8.288 -9.477 1.00 1.00 H +ATOM 1211 HD11 LEU A 79 -0.110 6.491 -11.234 1.00 1.00 H +ATOM 1212 HD12 LEU A 79 0.200 6.083 -9.529 1.00 1.00 H +ATOM 1213 HD13 LEU A 79 -0.626 7.605 -9.944 1.00 1.00 H +ATOM 1214 HD21 LEU A 79 3.401 6.847 -10.979 1.00 1.00 H +ATOM 1215 HD22 LEU A 79 3.128 6.745 -9.224 1.00 1.00 H +ATOM 1216 HD23 LEU A 79 2.302 5.612 -10.319 1.00 1.00 H +ATOM 1217 N ALA A 80 1.257 11.033 -9.829 1.00 1.00 N +ATOM 1218 CA ALA A 80 0.459 12.135 -9.319 1.00 1.00 C +ATOM 1219 C ALA A 80 0.981 13.449 -9.902 1.00 1.00 C +ATOM 1220 O ALA A 80 0.297 14.094 -10.697 1.00 1.00 O +ATOM 1221 CB ALA A 80 0.491 12.124 -7.789 1.00 1.00 C +ATOM 1222 H ALA A 80 1.542 10.364 -9.143 1.00 1.00 H +ATOM 1223 HA ALA A 80 -0.568 11.983 -9.651 1.00 1.00 H +ATOM 1224 HB1 ALA A 80 0.965 11.205 -7.443 1.00 1.00 H +ATOM 1225 HB2 ALA A 80 1.056 12.983 -7.431 1.00 1.00 H +ATOM 1226 HB3 ALA A 80 -0.529 12.172 -7.406 1.00 1.00 H +ATOM 1227 N GLU A 81 2.186 13.807 -9.486 1.00 1.00 N +ATOM 1228 CA GLU A 81 2.808 15.033 -9.959 1.00 1.00 C +ATOM 1229 C GLU A 81 2.636 15.167 -11.473 1.00 1.00 C +ATOM 1230 O GLU A 81 2.631 16.276 -12.005 1.00 1.00 O +ATOM 1231 CB GLU A 81 4.286 15.083 -9.568 1.00 1.00 C +ATOM 1232 CG GLU A 81 4.509 16.029 -8.386 1.00 1.00 C +ATOM 1233 CD GLU A 81 3.983 17.431 -8.698 1.00 1.00 C +ATOM 1234 OE1 GLU A 81 4.662 18.130 -9.480 1.00 1.00 O +ATOM 1235 OE2 GLU A 81 2.914 17.773 -8.146 1.00 1.00 O +ATOM 1236 H GLU A 81 2.735 13.276 -8.841 1.00 1.00 H +ATOM 1237 HA GLU A 81 2.277 15.840 -9.452 1.00 1.00 H +ATOM 1238 HB2 GLU A 81 4.632 14.083 -9.309 1.00 1.00 H +ATOM 1239 HB3 GLU A 81 4.879 15.416 -10.420 1.00 1.00 H +ATOM 1240 HG2 GLU A 81 4.006 15.636 -7.502 1.00 1.00 H +ATOM 1241 HG3 GLU A 81 5.572 16.078 -8.150 1.00 1.00 H +ATOM 1242 N LEU A 82 2.498 14.022 -12.125 1.00 1.00 N +ATOM 1243 CA LEU A 82 2.325 13.996 -13.568 1.00 1.00 C +ATOM 1244 C LEU A 82 0.959 14.586 -13.923 1.00 1.00 C +ATOM 1245 O LEU A 82 0.876 15.566 -14.662 1.00 1.00 O +ATOM 1246 CB LEU A 82 2.544 12.582 -14.108 1.00 1.00 C +ATOM 1247 CG LEU A 82 2.934 12.482 -15.585 1.00 1.00 C +ATOM 1248 CD1 LEU A 82 4.237 11.701 -15.756 1.00 1.00 C +ATOM 1249 CD2 LEU A 82 1.795 11.888 -16.413 1.00 1.00 C +ATOM 1250 H LEU A 82 2.503 13.123 -11.683 1.00 1.00 H +ATOM 1251 HA LEU A 82 3.099 14.631 -13.999 1.00 1.00 H +ATOM 1252 HB2 LEU A 82 3.324 12.104 -13.515 1.00 1.00 H +ATOM 1253 HB3 LEU A 82 1.629 12.010 -13.956 1.00 1.00 H +ATOM 1254 HG LEU A 82 3.114 13.492 -15.960 1.00 1.00 H +ATOM 1255 HD11 LEU A 82 4.926 11.962 -14.954 1.00 1.00 H +ATOM 1256 HD12 LEU A 82 4.027 10.631 -15.719 1.00 1.00 H +ATOM 1257 HD13 LEU A 82 4.688 11.948 -16.717 1.00 1.00 H +ATOM 1258 HD21 LEU A 82 0.924 11.732 -15.776 1.00 1.00 H +ATOM 1259 HD22 LEU A 82 1.537 12.573 -17.220 1.00 1.00 H +ATOM 1260 HD23 LEU A 82 2.112 10.934 -16.834 1.00 1.00 H +ATOM 1261 N VAL A 83 -0.077 13.965 -13.382 1.00 1.00 N +ATOM 1262 CA VAL A 83 -1.436 14.417 -13.633 1.00 1.00 C +ATOM 1263 C VAL A 83 -1.598 15.845 -13.113 1.00 1.00 C +ATOM 1264 O VAL A 83 -2.267 16.665 -13.739 1.00 1.00 O +ATOM 1265 CB VAL A 83 -2.436 13.436 -13.015 1.00 1.00 C +ATOM 1266 CG1 VAL A 83 -3.590 14.183 -12.342 1.00 1.00 C +ATOM 1267 CG2 VAL A 83 -2.956 12.450 -14.062 1.00 1.00 C +ATOM 1268 H VAL A 83 -0.001 13.167 -12.782 1.00 1.00 H +ATOM 1269 HA VAL A 83 -1.587 14.416 -14.713 1.00 1.00 H +ATOM 1270 HB VAL A 83 -1.914 12.865 -12.247 1.00 1.00 H +ATOM 1271 HG11 VAL A 83 -3.650 15.195 -12.742 1.00 1.00 H +ATOM 1272 HG12 VAL A 83 -4.525 13.659 -12.538 1.00 1.00 H +ATOM 1273 HG13 VAL A 83 -3.416 14.227 -11.267 1.00 1.00 H +ATOM 1274 HG21 VAL A 83 -2.780 12.852 -15.059 1.00 1.00 H +ATOM 1275 HG22 VAL A 83 -2.436 11.499 -13.956 1.00 1.00 H +ATOM 1276 HG23 VAL A 83 -4.026 12.297 -13.917 1.00 1.00 H +ATOM 1277 N HIS A 84 -0.975 16.100 -11.971 1.00 1.00 N +ATOM 1278 CA HIS A 84 -1.042 17.415 -11.358 1.00 1.00 C +ATOM 1279 C HIS A 84 -0.791 18.489 -12.420 1.00 1.00 C +ATOM 1280 O HIS A 84 -1.656 19.324 -12.681 1.00 1.00 O +ATOM 1281 CB HIS A 84 -0.078 17.515 -10.176 1.00 1.00 C +ATOM 1282 CG HIS A 84 -0.757 17.743 -8.846 1.00 1.00 C +ATOM 1283 ND1 HIS A 84 -2.062 17.356 -8.595 1.00 1.00 N +ATOM 1284 CD2 HIS A 84 -0.299 18.322 -7.700 1.00 1.00 C +ATOM 1285 CE1 HIS A 84 -2.365 17.692 -7.350 1.00 1.00 C +ATOM 1286 NE2 HIS A 84 -1.272 18.291 -6.798 1.00 1.00 N +ATOM 1287 H HIS A 84 -0.433 15.426 -11.468 1.00 1.00 H +ATOM 1288 HA HIS A 84 -2.055 17.530 -10.972 1.00 1.00 H +ATOM 1289 HB2 HIS A 84 0.507 16.596 -10.119 1.00 1.00 H +ATOM 1290 HB3 HIS A 84 0.623 18.329 -10.359 1.00 1.00 H +ATOM 1291 HD1 HIS A 84 -2.671 16.899 -9.243 1.00 1.00 H +ATOM 1292 HD2 HIS A 84 0.696 18.740 -7.551 1.00 1.00 H +ATOM 1293 HE1 HIS A 84 -3.320 17.519 -6.855 1.00 1.00 H +ATOM 1294 N HIS A 85 0.396 18.431 -13.004 1.00 1.00 N +ATOM 1295 CA HIS A 85 0.773 19.388 -14.031 1.00 1.00 C +ATOM 1296 C HIS A 85 -0.197 19.282 -15.210 1.00 1.00 C +ATOM 1297 O HIS A 85 -0.551 20.291 -15.820 1.00 1.00 O +ATOM 1298 CB HIS A 85 2.232 19.193 -14.446 1.00 1.00 C +ATOM 1299 CG HIS A 85 2.548 19.694 -15.835 1.00 1.00 C +ATOM 1300 ND1 HIS A 85 2.751 21.033 -16.123 1.00 1.00 N +ATOM 1301 CD2 HIS A 85 2.695 19.021 -17.012 1.00 1.00 C +ATOM 1302 CE1 HIS A 85 3.005 21.149 -17.417 1.00 1.00 C +ATOM 1303 NE2 HIS A 85 2.970 19.902 -17.967 1.00 1.00 N +ATOM 1304 H HIS A 85 1.095 17.748 -12.786 1.00 1.00 H +ATOM 1305 HA HIS A 85 0.683 20.378 -13.586 1.00 1.00 H +ATOM 1306 HB2 HIS A 85 2.874 19.708 -13.731 1.00 1.00 H +ATOM 1307 HB3 HIS A 85 2.478 18.133 -14.388 1.00 1.00 H +ATOM 1308 HD1 HIS A 85 2.710 21.784 -15.465 1.00 1.00 H +ATOM 1309 HD2 HIS A 85 2.601 17.944 -17.146 1.00 1.00 H +ATOM 1310 HE1 HIS A 85 3.208 22.078 -17.950 1.00 1.00 H +ATOM 1311 N HIS A 86 -0.601 18.054 -15.497 1.00 1.00 N +ATOM 1312 CA HIS A 86 -1.522 17.804 -16.591 1.00 1.00 C +ATOM 1313 C HIS A 86 -2.928 18.258 -16.192 1.00 1.00 C +ATOM 1314 O HIS A 86 -3.892 18.007 -16.913 1.00 1.00 O +ATOM 1315 CB HIS A 86 -1.472 16.335 -17.020 1.00 1.00 C +ATOM 1316 CG HIS A 86 -0.115 15.880 -17.497 1.00 1.00 C +ATOM 1317 ND1 HIS A 86 0.609 16.563 -18.460 1.00 1.00 N +ATOM 1318 CD2 HIS A 86 0.643 14.807 -17.133 1.00 1.00 C +ATOM 1319 CE1 HIS A 86 1.750 15.918 -18.659 1.00 1.00 C +ATOM 1320 NE2 HIS A 86 1.769 14.830 -17.838 1.00 1.00 N +ATOM 1321 H HIS A 86 -0.308 17.239 -14.996 1.00 1.00 H +ATOM 1322 HA HIS A 86 -1.180 18.407 -17.432 1.00 1.00 H +ATOM 1323 HB2 HIS A 86 -1.779 15.713 -16.178 1.00 1.00 H +ATOM 1324 HB3 HIS A 86 -2.199 16.175 -17.816 1.00 1.00 H +ATOM 1325 HD1 HIS A 86 0.319 17.398 -18.925 1.00 1.00 H +ATOM 1326 HD2 HIS A 86 0.372 14.056 -16.391 1.00 1.00 H +ATOM 1327 HE1 HIS A 86 2.534 16.208 -19.359 1.00 1.00 H +ATOM 1328 N SER A 87 -2.998 18.918 -15.046 1.00 1.00 N +ATOM 1329 CA SER A 87 -4.269 19.410 -14.542 1.00 1.00 C +ATOM 1330 C SER A 87 -4.666 20.688 -15.282 1.00 1.00 C +ATOM 1331 O SER A 87 -5.843 20.909 -15.559 1.00 1.00 O +ATOM 1332 CB SER A 87 -4.202 19.667 -13.036 1.00 1.00 C +ATOM 1333 OG SER A 87 -5.464 20.065 -12.505 1.00 1.00 O +ATOM 1334 H SER A 87 -2.208 19.118 -14.466 1.00 1.00 H +ATOM 1335 HA SER A 87 -4.987 18.613 -14.742 1.00 1.00 H +ATOM 1336 HB2 SER A 87 -3.864 18.765 -12.528 1.00 1.00 H +ATOM 1337 HB3 SER A 87 -3.463 20.444 -12.833 1.00 1.00 H +ATOM 1338 HG SER A 87 -6.111 19.304 -12.557 1.00 1.00 H +ATOM 1339 N THR A 88 -3.660 21.497 -15.583 1.00 1.00 N +ATOM 1340 CA THR A 88 -3.890 22.749 -16.285 1.00 1.00 C +ATOM 1341 C THR A 88 -3.185 22.734 -17.643 1.00 1.00 C +ATOM 1342 O THR A 88 -3.658 23.347 -18.599 1.00 1.00 O +ATOM 1343 CB THR A 88 -3.433 23.891 -15.377 1.00 1.00 C +ATOM 1344 OG1 THR A 88 -3.686 25.066 -16.143 1.00 1.00 O +ATOM 1345 CG2 THR A 88 -1.918 23.903 -15.165 1.00 1.00 C +ATOM 1346 H THR A 88 -2.705 21.311 -15.354 1.00 1.00 H +ATOM 1347 HA THR A 88 -4.957 22.843 -16.480 1.00 1.00 H +ATOM 1348 HB THR A 88 -3.960 23.864 -14.422 1.00 1.00 H +ATOM 1349 HG1 THR A 88 -4.670 25.244 -16.181 1.00 1.00 H +ATOM 1350 HG21 THR A 88 -1.417 24.011 -16.129 1.00 1.00 H +ATOM 1351 HG22 THR A 88 -1.648 24.739 -14.521 1.00 1.00 H +ATOM 1352 HG23 THR A 88 -1.609 22.968 -14.699 1.00 1.00 H +ATOM 1353 N VAL A 89 -2.066 22.025 -17.686 1.00 1.00 N +ATOM 1354 CA VAL A 89 -1.291 21.923 -18.911 1.00 1.00 C +ATOM 1355 C VAL A 89 -0.961 20.453 -19.179 1.00 1.00 C +ATOM 1356 O VAL A 89 0.114 19.979 -18.817 1.00 1.00 O +ATOM 1357 CB VAL A 89 -0.047 22.809 -18.820 1.00 1.00 C +ATOM 1358 CG1 VAL A 89 1.045 22.317 -19.772 1.00 1.00 C +ATOM 1359 CG2 VAL A 89 -0.395 24.273 -19.092 1.00 1.00 C +ATOM 1360 H VAL A 89 -1.688 21.529 -16.905 1.00 1.00 H +ATOM 1361 HA VAL A 89 -1.912 22.297 -19.725 1.00 1.00 H +ATOM 1362 HB VAL A 89 0.338 22.739 -17.803 1.00 1.00 H +ATOM 1363 HG11 VAL A 89 0.587 21.922 -20.678 1.00 1.00 H +ATOM 1364 HG12 VAL A 89 1.703 23.148 -20.029 1.00 1.00 H +ATOM 1365 HG13 VAL A 89 1.626 21.532 -19.286 1.00 1.00 H +ATOM 1366 HG21 VAL A 89 -1.355 24.509 -18.634 1.00 1.00 H +ATOM 1367 HG22 VAL A 89 0.378 24.915 -18.669 1.00 1.00 H +ATOM 1368 HG23 VAL A 89 -0.455 24.438 -20.167 1.00 1.00 H +ATOM 1369 N ALA A 90 -1.907 19.773 -19.812 1.00 1.00 N +ATOM 1370 CA ALA A 90 -1.730 18.368 -20.133 1.00 1.00 C +ATOM 1371 C ALA A 90 -0.651 18.225 -21.209 1.00 1.00 C +ATOM 1372 O ALA A 90 -0.938 17.805 -22.328 1.00 1.00 O +ATOM 1373 CB ALA A 90 -3.069 17.771 -20.568 1.00 1.00 C +ATOM 1374 H ALA A 90 -2.778 20.167 -20.103 1.00 1.00 H +ATOM 1375 HA ALA A 90 -1.397 17.859 -19.228 1.00 1.00 H +ATOM 1376 HB1 ALA A 90 -3.836 18.022 -19.834 1.00 1.00 H +ATOM 1377 HB2 ALA A 90 -3.350 18.176 -21.540 1.00 1.00 H +ATOM 1378 HB3 ALA A 90 -2.979 16.687 -20.640 1.00 1.00 H +ATOM 1379 N ASP A 91 0.566 18.586 -20.832 1.00 1.00 N +ATOM 1380 CA ASP A 91 1.688 18.506 -21.752 1.00 1.00 C +ATOM 1381 C ASP A 91 2.174 17.057 -21.830 1.00 1.00 C +ATOM 1382 O ASP A 91 3.365 16.805 -22.002 1.00 1.00 O +ATOM 1383 CB ASP A 91 2.858 19.369 -21.272 1.00 1.00 C +ATOM 1384 CG ASP A 91 3.957 19.601 -22.309 1.00 1.00 C +ATOM 1385 OD1 ASP A 91 3.756 20.495 -23.159 1.00 1.00 O +ATOM 1386 OD2 ASP A 91 4.975 18.879 -22.228 1.00 1.00 O +ATOM 1387 H ASP A 91 0.792 18.929 -19.919 1.00 1.00 H +ATOM 1388 HA ASP A 91 1.305 18.869 -22.705 1.00 1.00 H +ATOM 1389 HB2 ASP A 91 2.468 20.336 -20.955 1.00 1.00 H +ATOM 1390 HB3 ASP A 91 3.300 18.899 -20.394 1.00 1.00 H +ATOM 1391 N GLY A 92 1.225 16.140 -21.701 1.00 1.00 N +ATOM 1392 CA GLY A 92 1.540 14.724 -21.756 1.00 1.00 C +ATOM 1393 C GLY A 92 0.305 13.900 -22.128 1.00 1.00 C +ATOM 1394 O GLY A 92 0.173 13.452 -23.265 1.00 1.00 O +ATOM 1395 H GLY A 92 0.257 16.352 -21.561 1.00 1.00 H +ATOM 1396 HA2 GLY A 92 2.331 14.550 -22.487 1.00 1.00 H +ATOM 1397 HA3 GLY A 92 1.923 14.395 -20.789 1.00 1.00 H +ATOM 1398 N LEU A 93 -0.568 13.728 -21.148 1.00 1.00 N +ATOM 1399 CA LEU A 93 -1.789 12.967 -21.357 1.00 1.00 C +ATOM 1400 C LEU A 93 -2.712 13.742 -22.301 1.00 1.00 C +ATOM 1401 O LEU A 93 -2.789 14.966 -22.233 1.00 1.00 O +ATOM 1402 CB LEU A 93 -2.437 12.613 -20.017 1.00 1.00 C +ATOM 1403 CG LEU A 93 -1.820 13.268 -18.779 1.00 1.00 C +ATOM 1404 CD1 LEU A 93 -2.798 13.252 -17.604 1.00 1.00 C +ATOM 1405 CD2 LEU A 93 -0.484 12.612 -18.422 1.00 1.00 C +ATOM 1406 H LEU A 93 -0.455 14.096 -20.225 1.00 1.00 H +ATOM 1407 HA LEU A 93 -1.510 12.030 -21.837 1.00 1.00 H +ATOM 1408 HB2 LEU A 93 -3.491 12.889 -20.063 1.00 1.00 H +ATOM 1409 HB3 LEU A 93 -2.396 11.531 -19.891 1.00 1.00 H +ATOM 1410 HG LEU A 93 -1.613 14.312 -19.013 1.00 1.00 H +ATOM 1411 HD11 LEU A 93 -3.801 13.482 -17.964 1.00 1.00 H +ATOM 1412 HD12 LEU A 93 -2.796 12.265 -17.143 1.00 1.00 H +ATOM 1413 HD13 LEU A 93 -2.497 13.997 -16.869 1.00 1.00 H +ATOM 1414 HD21 LEU A 93 -0.415 11.640 -18.910 1.00 1.00 H +ATOM 1415 HD22 LEU A 93 0.335 13.247 -18.759 1.00 1.00 H +ATOM 1416 HD23 LEU A 93 -0.422 12.480 -17.342 1.00 1.00 H +ATOM 1417 N ILE A 94 -3.388 12.992 -23.161 1.00 1.00 N +ATOM 1418 CA ILE A 94 -4.301 13.593 -24.117 1.00 1.00 C +ATOM 1419 C ILE A 94 -5.135 14.668 -23.416 1.00 1.00 C +ATOM 1420 O ILE A 94 -4.825 15.854 -23.505 1.00 1.00 O +ATOM 1421 CB ILE A 94 -5.142 12.515 -24.805 1.00 1.00 C +ATOM 1422 CG1 ILE A 94 -6.474 13.088 -25.295 1.00 1.00 C +ATOM 1423 CG2 ILE A 94 -5.340 11.306 -23.888 1.00 1.00 C +ATOM 1424 CD1 ILE A 94 -6.886 12.454 -26.625 1.00 1.00 C +ATOM 1425 H ILE A 94 -3.320 11.996 -23.209 1.00 1.00 H +ATOM 1426 HA ILE A 94 -3.698 14.073 -24.888 1.00 1.00 H +ATOM 1427 HB ILE A 94 -4.598 12.167 -25.683 1.00 1.00 H +ATOM 1428 HG12 ILE A 94 -7.247 12.909 -24.548 1.00 1.00 H +ATOM 1429 HG13 ILE A 94 -6.388 14.168 -25.414 1.00 1.00 H +ATOM 1430 HG21 ILE A 94 -5.363 11.638 -22.849 1.00 1.00 H +ATOM 1431 HG22 ILE A 94 -6.282 10.815 -24.132 1.00 1.00 H +ATOM 1432 HG23 ILE A 94 -4.518 10.605 -24.028 1.00 1.00 H +ATOM 1433 HD11 ILE A 94 -6.068 11.842 -27.005 1.00 1.00 H +ATOM 1434 HD12 ILE A 94 -7.767 11.831 -26.473 1.00 1.00 H +ATOM 1435 HD13 ILE A 94 -7.117 13.240 -27.345 1.00 1.00 H +ATOM 1436 N THR A 95 -6.175 14.213 -22.734 1.00 1.00 N +ATOM 1437 CA THR A 95 -7.056 15.121 -22.017 1.00 1.00 C +ATOM 1438 C THR A 95 -6.404 15.573 -20.708 1.00 1.00 C +ATOM 1439 O THR A 95 -5.235 15.284 -20.462 1.00 1.00 O +ATOM 1440 CB THR A 95 -8.399 14.416 -21.815 1.00 1.00 C +ATOM 1441 OG1 THR A 95 -9.124 15.290 -20.954 1.00 1.00 O +ATOM 1442 CG2 THR A 95 -8.266 13.124 -21.007 1.00 1.00 C +ATOM 1443 H THR A 95 -6.420 13.246 -22.666 1.00 1.00 H +ATOM 1444 HA THR A 95 -7.200 16.012 -22.628 1.00 1.00 H +ATOM 1445 HB THR A 95 -8.887 14.230 -22.772 1.00 1.00 H +ATOM 1446 HG1 THR A 95 -9.409 16.106 -21.459 1.00 1.00 H +ATOM 1447 HG21 THR A 95 -7.441 13.219 -20.302 1.00 1.00 H +ATOM 1448 HG22 THR A 95 -9.192 12.941 -20.461 1.00 1.00 H +ATOM 1449 HG23 THR A 95 -8.071 12.291 -21.683 1.00 1.00 H +ATOM 1450 N THR A 96 -7.189 16.274 -19.905 1.00 1.00 N +ATOM 1451 CA THR A 96 -6.703 16.770 -18.628 1.00 1.00 C +ATOM 1452 C THR A 96 -7.117 15.826 -17.499 1.00 1.00 C +ATOM 1453 O THR A 96 -6.867 14.623 -17.567 1.00 1.00 O +ATOM 1454 CB THR A 96 -7.222 18.198 -18.448 1.00 1.00 C +ATOM 1455 OG1 THR A 96 -8.587 18.027 -18.075 1.00 1.00 O +ATOM 1456 CG2 THR A 96 -7.290 18.968 -19.768 1.00 1.00 C +ATOM 1457 H THR A 96 -8.140 16.505 -20.114 1.00 1.00 H +ATOM 1458 HA THR A 96 -5.614 16.779 -18.656 1.00 1.00 H +ATOM 1459 HB THR A 96 -6.626 18.739 -17.712 1.00 1.00 H +ATOM 1460 HG1 THR A 96 -9.012 17.324 -18.644 1.00 1.00 H +ATOM 1461 HG21 THR A 96 -6.407 18.743 -20.366 1.00 1.00 H +ATOM 1462 HG22 THR A 96 -8.185 18.672 -20.315 1.00 1.00 H +ATOM 1463 HG23 THR A 96 -7.327 20.038 -19.564 1.00 1.00 H +ATOM 1464 N LEU A 97 -7.741 16.406 -16.484 1.00 1.00 N +ATOM 1465 CA LEU A 97 -8.192 15.631 -15.341 1.00 1.00 C +ATOM 1466 C LEU A 97 -9.173 16.467 -14.518 1.00 1.00 C +ATOM 1467 O LEU A 97 -8.866 17.595 -14.138 1.00 1.00 O +ATOM 1468 CB LEU A 97 -6.995 15.119 -14.536 1.00 1.00 C +ATOM 1469 CG LEU A 97 -5.724 15.965 -14.613 1.00 1.00 C +ATOM 1470 CD1 LEU A 97 -5.398 16.591 -13.255 1.00 1.00 C +ATOM 1471 CD2 LEU A 97 -4.553 15.148 -15.163 1.00 1.00 C +ATOM 1472 H LEU A 97 -7.941 17.384 -16.436 1.00 1.00 H +ATOM 1473 HA LEU A 97 -8.720 14.758 -15.725 1.00 1.00 H +ATOM 1474 HB2 LEU A 97 -7.293 15.040 -13.490 1.00 1.00 H +ATOM 1475 HB3 LEU A 97 -6.758 14.111 -14.876 1.00 1.00 H +ATOM 1476 HG LEU A 97 -5.900 16.784 -15.310 1.00 1.00 H +ATOM 1477 HD11 LEU A 97 -5.498 15.837 -12.474 1.00 1.00 H +ATOM 1478 HD12 LEU A 97 -4.375 16.969 -13.265 1.00 1.00 H +ATOM 1479 HD13 LEU A 97 -6.087 17.411 -13.059 1.00 1.00 H +ATOM 1480 HD21 LEU A 97 -4.419 14.252 -14.557 1.00 1.00 H +ATOM 1481 HD22 LEU A 97 -4.763 14.861 -16.193 1.00 1.00 H +ATOM 1482 HD23 LEU A 97 -3.644 15.748 -15.130 1.00 1.00 H +ATOM 1483 N HIS A 98 -10.335 15.882 -14.267 1.00 1.00 N +ATOM 1484 CA HIS A 98 -11.364 16.559 -13.496 1.00 1.00 C +ATOM 1485 C HIS A 98 -12.136 15.536 -12.661 1.00 1.00 C +ATOM 1486 O HIS A 98 -13.351 15.406 -12.800 1.00 1.00 O +ATOM 1487 CB HIS A 98 -12.271 17.385 -14.409 1.00 1.00 C +ATOM 1488 CG HIS A 98 -13.142 18.377 -13.674 1.00 1.00 C +ATOM 1489 ND1 HIS A 98 -12.980 19.747 -13.790 1.00 1.00 N +ATOM 1490 CD2 HIS A 98 -14.184 18.183 -12.817 1.00 1.00 C +ATOM 1491 CE1 HIS A 98 -13.889 20.341 -13.030 1.00 1.00 C +ATOM 1492 NE2 HIS A 98 -14.633 19.370 -12.427 1.00 1.00 N +ATOM 1493 H HIS A 98 -10.577 14.963 -14.579 1.00 1.00 H +ATOM 1494 HA HIS A 98 -10.849 17.248 -12.825 1.00 1.00 H +ATOM 1495 HB2 HIS A 98 -11.653 17.923 -15.128 1.00 1.00 H +ATOM 1496 HB3 HIS A 98 -12.908 16.711 -14.978 1.00 1.00 H +ATOM 1497 HD1 HIS A 98 -12.293 20.210 -14.350 1.00 1.00 H +ATOM 1498 HD2 HIS A 98 -14.581 17.217 -12.503 1.00 1.00 H +ATOM 1499 HE1 HIS A 98 -14.018 21.415 -12.908 1.00 1.00 H +ATOM 1500 N TYR A 99 -11.399 14.834 -11.812 1.00 1.00 N +ATOM 1501 CA TYR A 99 -12.000 13.827 -10.953 1.00 1.00 C +ATOM 1502 C TYR A 99 -11.198 13.658 -9.662 1.00 1.00 C +ATOM 1503 O TYR A 99 -10.959 12.536 -9.218 1.00 1.00 O +ATOM 1504 CB TYR A 99 -11.953 12.518 -11.745 1.00 1.00 C +ATOM 1505 CG TYR A 99 -13.254 11.714 -11.693 1.00 1.00 C +ATOM 1506 CD1 TYR A 99 -14.433 12.278 -12.134 1.00 1.00 C +ATOM 1507 CD2 TYR A 99 -13.247 10.422 -11.205 1.00 1.00 C +ATOM 1508 CE1 TYR A 99 -15.657 11.521 -12.087 1.00 1.00 C +ATOM 1509 CE2 TYR A 99 -14.471 9.665 -11.158 1.00 1.00 C +ATOM 1510 CZ TYR A 99 -15.615 10.251 -11.600 1.00 1.00 C +ATOM 1511 OH TYR A 99 -16.771 9.536 -11.555 1.00 1.00 O +ATOM 1512 H TYR A 99 -10.412 14.946 -11.704 1.00 1.00 H +ATOM 1513 HA TYR A 99 -13.011 14.155 -10.706 1.00 1.00 H +ATOM 1514 HB2 TYR A 99 -11.719 12.742 -12.785 1.00 1.00 H +ATOM 1515 HB3 TYR A 99 -11.142 11.901 -11.359 1.00 1.00 H +ATOM 1516 HD1 TYR A 99 -14.438 13.298 -12.520 1.00 1.00 H +ATOM 1517 HD2 TYR A 99 -12.316 9.977 -10.858 1.00 1.00 H +ATOM 1518 HE1 TYR A 99 -16.595 11.955 -12.432 1.00 1.00 H +ATOM 1519 HE2 TYR A 99 -14.479 8.644 -10.776 1.00 1.00 H +ATOM 1520 HH TYR A 99 -16.566 8.559 -11.488 1.00 1.00 H +ATOM 1521 N PRO A 100 -10.796 14.818 -9.079 1.00 1.00 N +ATOM 1522 CA PRO A 100 -10.026 14.810 -7.847 1.00 1.00 C +ATOM 1523 C PRO A 100 -10.917 14.474 -6.647 1.00 1.00 C +ATOM 1524 O PRO A 100 -10.686 14.966 -5.543 1.00 1.00 O +ATOM 1525 CB PRO A 100 -9.408 16.196 -7.759 1.00 1.00 C +ATOM 1526 CG PRO A 100 -10.222 17.074 -8.694 1.00 1.00 C +ATOM 1527 CD PRO A 100 -11.062 16.166 -9.575 1.00 1.00 C +ATOM 1528 HA PRO A 100 -9.330 14.093 -7.878 1.00 1.00 H +ATOM 1529 HB2 PRO A 100 -9.442 16.574 -6.738 1.00 1.00 H +ATOM 1530 HB3 PRO A 100 -8.360 16.174 -8.055 1.00 1.00 H +ATOM 1531 HG2 PRO A 100 -10.859 17.751 -8.124 1.00 1.00 H +ATOM 1532 HG3 PRO A 100 -9.563 17.695 -9.304 1.00 1.00 H +ATOM 1533 HD2 PRO A 100 -12.121 16.413 -9.501 1.00 1.00 H +ATOM 1534 HD3 PRO A 100 -10.784 16.263 -10.625 1.00 1.00 H +ATOM 1535 N ALA A 101 -11.914 13.641 -6.905 1.00 1.00 N +ATOM 1536 CA ALA A 101 -12.839 13.236 -5.860 1.00 1.00 C +ATOM 1537 C ALA A 101 -12.194 12.136 -5.015 1.00 1.00 C +ATOM 1538 O ALA A 101 -11.931 11.042 -5.509 1.00 1.00 O +ATOM 1539 CB ALA A 101 -14.158 12.788 -6.491 1.00 1.00 C +ATOM 1540 H ALA A 101 -12.094 13.247 -7.805 1.00 1.00 H +ATOM 1541 HA ALA A 101 -13.028 14.105 -5.229 1.00 1.00 H +ATOM 1542 HB1 ALA A 101 -14.000 12.571 -7.548 1.00 1.00 H +ATOM 1543 HB2 ALA A 101 -14.517 11.892 -5.987 1.00 1.00 H +ATOM 1544 HB3 ALA A 101 -14.898 13.583 -6.390 1.00 1.00 H +ATOM 1545 N PRO A 102 -11.953 12.473 -3.719 1.00 1.00 N +ATOM 1546 CA PRO A 102 -11.345 11.526 -2.799 1.00 1.00 C +ATOM 1547 C PRO A 102 -12.352 10.457 -2.369 1.00 1.00 C +ATOM 1548 O PRO A 102 -13.083 10.642 -1.398 1.00 1.00 O +ATOM 1549 CB PRO A 102 -10.844 12.373 -1.639 1.00 1.00 C +ATOM 1550 CG PRO A 102 -11.597 13.690 -1.729 1.00 1.00 C +ATOM 1551 CD PRO A 102 -12.252 13.760 -3.097 1.00 1.00 C +ATOM 1552 HA PRO A 102 -10.599 11.037 -3.249 1.00 1.00 H +ATOM 1553 HB2 PRO A 102 -11.035 11.878 -0.686 1.00 1.00 H +ATOM 1554 HB3 PRO A 102 -9.769 12.531 -1.707 1.00 1.00 H +ATOM 1555 HG2 PRO A 102 -12.348 13.755 -0.941 1.00 1.00 H +ATOM 1556 HG3 PRO A 102 -10.915 14.529 -1.588 1.00 1.00 H +ATOM 1557 HD2 PRO A 102 -13.328 13.919 -3.015 1.00 1.00 H +ATOM 1558 HD3 PRO A 102 -11.853 14.587 -3.686 1.00 1.00 H +ATOM 1559 N LYS A 103 -12.355 9.361 -3.114 1.00 1.00 N +ATOM 1560 CA LYS A 103 -13.258 8.261 -2.822 1.00 1.00 C +ATOM 1561 C LYS A 103 -12.822 7.579 -1.524 1.00 1.00 C +ATOM 1562 O LYS A 103 -11.797 7.935 -0.945 1.00 1.00 O +ATOM 1563 CB LYS A 103 -13.348 7.310 -4.016 1.00 1.00 C +ATOM 1564 CG LYS A 103 -11.986 6.683 -4.323 1.00 1.00 C +ATOM 1565 CD LYS A 103 -11.731 5.465 -3.434 1.00 1.00 C +ATOM 1566 CE LYS A 103 -10.604 5.742 -2.434 1.00 1.00 C +ATOM 1567 NZ LYS A 103 -9.783 4.527 -2.229 1.00 1.00 N +ATOM 1568 H LYS A 103 -11.756 9.218 -3.902 1.00 1.00 H +ATOM 1569 HA LYS A 103 -14.251 8.685 -2.673 1.00 1.00 H +ATOM 1570 HB2 LYS A 103 -14.074 6.524 -3.808 1.00 1.00 H +ATOM 1571 HB3 LYS A 103 -13.708 7.851 -4.891 1.00 1.00 H +ATOM 1572 HG2 LYS A 103 -11.945 6.388 -5.371 1.00 1.00 H +ATOM 1573 HG3 LYS A 103 -11.199 7.422 -4.168 1.00 1.00 H +ATOM 1574 HD2 LYS A 103 -12.642 5.207 -2.895 1.00 1.00 H +ATOM 1575 HD3 LYS A 103 -11.469 4.606 -4.052 1.00 1.00 H +ATOM 1576 HE2 LYS A 103 -9.977 6.554 -2.802 1.00 1.00 H +ATOM 1577 HE3 LYS A 103 -11.025 6.068 -1.483 1.00 1.00 H +ATOM 1578 HZ1 LYS A 103 -10.141 3.784 -2.796 1.00 1.00 H +ATOM 1579 HZ2 LYS A 103 -8.837 4.718 -2.487 1.00 1.00 H +ATOM 1580 HZ3 LYS A 103 -9.820 4.260 -1.266 1.00 1.00 H +ATOM 1581 N ARG A 104 -13.621 6.610 -1.104 1.00 1.00 N +ATOM 1582 CA ARG A 104 -13.330 5.874 0.115 1.00 1.00 C +ATOM 1583 C ARG A 104 -13.115 4.392 -0.198 1.00 1.00 C +ATOM 1584 O ARG A 104 -12.388 3.703 0.515 1.00 1.00 O +ATOM 1585 CB ARG A 104 -14.468 6.014 1.127 1.00 1.00 C +ATOM 1586 CG ARG A 104 -13.996 6.746 2.385 1.00 1.00 C +ATOM 1587 CD ARG A 104 -14.325 5.942 3.645 1.00 1.00 C +ATOM 1588 NE ARG A 104 -13.778 6.624 4.839 1.00 1.00 N +ATOM 1589 CZ ARG A 104 -14.398 6.672 6.026 1.00 1.00 C +ATOM 1590 NH1 ARG A 104 -15.589 6.080 6.184 1.00 1.00 N +ATOM 1591 NH2 ARG A 104 -13.827 7.314 7.054 1.00 1.00 N +ATOM 1592 H ARG A 104 -14.454 6.325 -1.581 1.00 1.00 H +ATOM 1593 HA ARG A 104 -12.420 6.329 0.504 1.00 1.00 H +ATOM 1594 HB2 ARG A 104 -15.298 6.559 0.676 1.00 1.00 H +ATOM 1595 HB3 ARG A 104 -14.845 5.028 1.397 1.00 1.00 H +ATOM 1596 HG2 ARG A 104 -12.921 6.916 2.328 1.00 1.00 H +ATOM 1597 HG3 ARG A 104 -14.471 7.726 2.440 1.00 1.00 H +ATOM 1598 HD2 ARG A 104 -15.405 5.829 3.742 1.00 1.00 H +ATOM 1599 HD3 ARG A 104 -13.907 4.938 3.566 1.00 1.00 H +ATOM 1600 HE ARG A 104 -12.890 7.076 4.755 1.00 1.00 H +ATOM 1601 HH11 ARG A 104 -16.016 5.601 5.417 1.00 1.00 H +ATOM 1602 HH12 ARG A 104 -16.052 6.116 7.070 1.00 1.00 H +ATOM 1603 HH21 ARG A 104 -12.939 7.755 6.935 1.00 1.00 H +ATOM 1604 HH22 ARG A 104 -14.291 7.350 7.939 1.00 1.00 H +ATOM 1605 N GLY A 105 -13.761 3.945 -1.266 1.00 1.00 N +ATOM 1606 CA GLY A 105 -13.650 2.559 -1.682 1.00 1.00 C +ATOM 1607 C GLY A 105 -12.424 1.894 -1.053 1.00 1.00 C +ATOM 1608 O GLY A 105 -11.295 2.133 -1.480 1.00 1.00 O +ATOM 1609 H GLY A 105 -14.351 4.514 -1.840 1.00 1.00 H +ATOM 1610 HA2 GLY A 105 -14.550 2.015 -1.394 1.00 1.00 H +ATOM 1611 HA3 GLY A 105 -13.579 2.505 -2.769 1.00 1.00 H +ATOM 1612 N ILE A 106 -12.686 1.073 -0.047 1.00 1.00 N +ATOM 1613 CA ILE A 106 -11.617 0.371 0.645 1.00 1.00 C +ATOM 1614 C ILE A 106 -11.192 -0.844 -0.180 1.00 1.00 C +ATOM 1615 O ILE A 106 -12.032 -1.534 -0.755 1.00 1.00 O +ATOM 1616 CB ILE A 106 -12.043 0.026 2.075 1.00 1.00 C +ATOM 1617 CG1 ILE A 106 -10.826 -0.303 2.943 1.00 1.00 C +ATOM 1618 CG2 ILE A 106 -13.074 -1.102 2.083 1.00 1.00 C +ATOM 1619 CD1 ILE A 106 -10.169 -1.610 2.494 1.00 1.00 C +ATOM 1620 H ILE A 106 -13.607 0.882 0.295 1.00 1.00 H +ATOM 1621 HA ILE A 106 -10.771 1.055 0.717 1.00 1.00 H +ATOM 1622 HB ILE A 106 -12.521 0.903 2.509 1.00 1.00 H +ATOM 1623 HG12 ILE A 106 -10.102 0.511 2.884 1.00 1.00 H +ATOM 1624 HG13 ILE A 106 -11.131 -0.384 3.986 1.00 1.00 H +ATOM 1625 HG21 ILE A 106 -13.318 -1.380 1.057 1.00 1.00 H +ATOM 1626 HG22 ILE A 106 -12.664 -1.967 2.606 1.00 1.00 H +ATOM 1627 HG23 ILE A 106 -13.977 -0.765 2.592 1.00 1.00 H +ATOM 1628 HD11 ILE A 106 -10.836 -2.137 1.813 1.00 1.00 H +ATOM 1629 HD12 ILE A 106 -9.231 -1.388 1.986 1.00 1.00 H +ATOM 1630 HD13 ILE A 106 -9.970 -2.234 3.366 1.00 1.00 H +ATOM 1631 N HIS A 107 -9.887 -1.070 -0.212 1.00 1.00 N +ATOM 1632 CA HIS A 107 -9.339 -2.190 -0.958 1.00 1.00 C +ATOM 1633 C HIS A 107 -9.406 -3.458 -0.103 1.00 1.00 C +ATOM 1634 O HIS A 107 -8.405 -3.869 0.483 1.00 1.00 O +ATOM 1635 CB HIS A 107 -7.923 -1.879 -1.446 1.00 1.00 C +ATOM 1636 CG HIS A 107 -7.060 -1.182 -0.421 1.00 1.00 C +ATOM 1637 ND1 HIS A 107 -6.229 -0.121 -0.737 1.00 1.00 N +ATOM 1638 CD2 HIS A 107 -6.908 -1.406 0.916 1.00 1.00 C +ATOM 1639 CE1 HIS A 107 -5.609 0.268 0.367 1.00 1.00 C +ATOM 1640 NE2 HIS A 107 -6.031 -0.530 1.390 1.00 1.00 N +ATOM 1641 H HIS A 107 -9.210 -0.504 0.258 1.00 1.00 H +ATOM 1642 HA HIS A 107 -9.972 -2.322 -1.836 1.00 1.00 H +ATOM 1643 HB2 HIS A 107 -7.438 -2.808 -1.743 1.00 1.00 H +ATOM 1644 HB3 HIS A 107 -7.987 -1.253 -2.337 1.00 1.00 H +ATOM 1645 HD1 HIS A 107 -6.116 0.284 -1.644 1.00 1.00 H +ATOM 1646 HD2 HIS A 107 -7.419 -2.174 1.496 1.00 1.00 H +ATOM 1647 HE1 HIS A 107 -4.890 1.083 0.445 1.00 1.00 H +ATOM 1648 N ARG A 108 -10.595 -4.041 -0.058 1.00 1.00 N +ATOM 1649 CA ARG A 108 -10.804 -5.253 0.715 1.00 1.00 C +ATOM 1650 C ARG A 108 -11.748 -6.200 -0.028 1.00 1.00 C +ATOM 1651 O ARG A 108 -11.398 -7.348 -0.296 1.00 1.00 O +ATOM 1652 CB ARG A 108 -11.393 -4.933 2.090 1.00 1.00 C +ATOM 1653 CG ARG A 108 -11.642 -6.212 2.892 1.00 1.00 C +ATOM 1654 CD ARG A 108 -13.124 -6.361 3.242 1.00 1.00 C +ATOM 1655 NE ARG A 108 -13.407 -5.701 4.535 1.00 1.00 N +ATOM 1656 CZ ARG A 108 -13.196 -6.269 5.730 1.00 1.00 C +ATOM 1657 NH1 ARG A 108 -12.698 -7.512 5.804 1.00 1.00 N +ATOM 1658 NH2 ARG A 108 -13.482 -5.596 6.854 1.00 1.00 N +ATOM 1659 H ARG A 108 -11.404 -3.700 -0.537 1.00 1.00 H +ATOM 1660 HA ARG A 108 -9.813 -5.691 0.821 1.00 1.00 H +ATOM 1661 HB2 ARG A 108 -10.712 -4.284 2.640 1.00 1.00 H +ATOM 1662 HB3 ARG A 108 -12.329 -4.386 1.973 1.00 1.00 H +ATOM 1663 HG2 ARG A 108 -11.313 -7.077 2.315 1.00 1.00 H +ATOM 1664 HG3 ARG A 108 -11.048 -6.195 3.806 1.00 1.00 H +ATOM 1665 HD2 ARG A 108 -13.739 -5.918 2.458 1.00 1.00 H +ATOM 1666 HD3 ARG A 108 -13.390 -7.416 3.296 1.00 1.00 H +ATOM 1667 HE ARG A 108 -13.780 -4.772 4.518 1.00 1.00 H +ATOM 1668 HH11 ARG A 108 -12.485 -8.015 4.966 1.00 1.00 H +ATOM 1669 HH12 ARG A 108 -12.541 -7.936 6.695 1.00 1.00 H +ATOM 1670 HH21 ARG A 108 -13.854 -4.669 6.799 1.00 1.00 H +ATOM 1671 HH22 ARG A 108 -13.324 -6.020 7.745 1.00 1.00 H +ATOM 1672 N ASP A 109 -12.928 -5.684 -0.340 1.00 1.00 N +ATOM 1673 CA ASP A 109 -13.925 -6.470 -1.047 1.00 1.00 C +ATOM 1674 C ASP A 109 -13.241 -7.285 -2.146 1.00 1.00 C +ATOM 1675 O ASP A 109 -13.637 -8.459 -2.311 1.00 1.00 O +ATOM 1676 CB ASP A 109 -14.969 -5.567 -1.708 1.00 1.00 C +ATOM 1677 CG ASP A 109 -16.418 -5.851 -1.306 1.00 1.00 C +ATOM 1678 OD1 ASP A 109 -16.873 -7.004 -1.329 1.00 1.00 O +ATOM 1679 OD2 ASP A 109 -17.098 -4.813 -0.952 1.00 1.00 O +ATOM 1680 OXT ASP A 109 -12.342 -6.789 -2.824 1.00 1.00 O +ATOM 1681 H ASP A 109 -13.207 -4.750 -0.119 1.00 1.00 H +ATOM 1682 HA ASP A 109 -14.387 -7.100 -0.286 1.00 1.00 H +ATOM 1683 HB2 ASP A 109 -14.737 -4.531 -1.467 1.00 1.00 H +ATOM 1684 HB3 ASP A 109 -14.882 -5.670 -2.791 1.00 1.00 H +TER 1685 ASP A 109 +ENDMDL +MODEL 7 +ATOM 1 N GLY A 1 0.566 -7.678 -9.445 1.00 1.00 N +ATOM 2 CA GLY A 1 0.546 -7.409 -8.018 1.00 1.00 C +ATOM 3 C GLY A 1 0.886 -5.946 -7.730 1.00 1.00 C +ATOM 4 O GLY A 1 -0.007 -5.120 -7.549 1.00 1.00 O +ATOM 5 H1 GLY A 1 0.153 -6.897 -9.943 1.00 1.00 H +ATOM 6 H2 GLY A 1 1.524 -7.805 -9.752 1.00 1.00 H +ATOM 7 H3 GLY A 1 0.035 -8.519 -9.638 1.00 1.00 H +ATOM 8 HA2 GLY A 1 -0.440 -7.642 -7.614 1.00 1.00 H +ATOM 9 HA3 GLY A 1 1.259 -8.059 -7.511 1.00 1.00 H +ATOM 10 N SER A 2 2.183 -5.669 -7.699 1.00 1.00 N +ATOM 11 CA SER A 2 2.653 -4.319 -7.437 1.00 1.00 C +ATOM 12 C SER A 2 2.444 -3.969 -5.963 1.00 1.00 C +ATOM 13 O SER A 2 3.399 -3.658 -5.253 1.00 1.00 O +ATOM 14 CB SER A 2 1.937 -3.303 -8.330 1.00 1.00 C +ATOM 15 OG SER A 2 2.831 -2.673 -9.243 1.00 1.00 O +ATOM 16 H SER A 2 2.903 -6.346 -7.847 1.00 1.00 H +ATOM 17 HA SER A 2 3.715 -4.331 -7.680 1.00 1.00 H +ATOM 18 HB2 SER A 2 1.145 -3.804 -8.885 1.00 1.00 H +ATOM 19 HB3 SER A 2 1.461 -2.546 -7.708 1.00 1.00 H +ATOM 20 HG SER A 2 2.896 -1.697 -9.040 1.00 1.00 H +ATOM 21 N GLY A 3 1.188 -4.031 -5.544 1.00 1.00 N +ATOM 22 CA GLY A 3 0.841 -3.724 -4.167 1.00 1.00 C +ATOM 23 C GLY A 3 0.960 -2.223 -3.893 1.00 1.00 C +ATOM 24 O GLY A 3 -0.048 -1.534 -3.743 1.00 1.00 O +ATOM 25 H GLY A 3 0.417 -4.284 -6.128 1.00 1.00 H +ATOM 26 HA2 GLY A 3 -0.178 -4.056 -3.962 1.00 1.00 H +ATOM 27 HA3 GLY A 3 1.496 -4.274 -3.492 1.00 1.00 H +ATOM 28 N ASN A 4 2.200 -1.761 -3.836 1.00 1.00 N +ATOM 29 CA ASN A 4 2.464 -0.355 -3.582 1.00 1.00 C +ATOM 30 C ASN A 4 1.452 0.496 -4.353 1.00 1.00 C +ATOM 31 O ASN A 4 1.338 0.379 -5.572 1.00 1.00 O +ATOM 32 CB ASN A 4 3.866 0.036 -4.053 1.00 1.00 C +ATOM 33 CG ASN A 4 4.010 -0.157 -5.564 1.00 1.00 C +ATOM 34 OD1 ASN A 4 3.715 -1.204 -6.114 1.00 1.00 O +ATOM 35 ND2 ASN A 4 4.481 0.913 -6.201 1.00 1.00 N +ATOM 36 H ASN A 4 3.015 -2.329 -3.959 1.00 1.00 H +ATOM 37 HA ASN A 4 2.371 -0.237 -2.503 1.00 1.00 H +ATOM 38 HB2 ASN A 4 4.062 1.077 -3.793 1.00 1.00 H +ATOM 39 HB3 ASN A 4 4.608 -0.568 -3.532 1.00 1.00 H +ATOM 40 HD21 ASN A 4 4.704 1.743 -5.690 1.00 1.00 H +ATOM 41 HD22 ASN A 4 4.612 0.884 -7.192 1.00 1.00 H +ATOM 42 N SER A 5 0.744 1.334 -3.610 1.00 1.00 N +ATOM 43 CA SER A 5 -0.255 2.204 -4.208 1.00 1.00 C +ATOM 44 C SER A 5 -0.979 2.996 -3.118 1.00 1.00 C +ATOM 45 O SER A 5 -0.843 4.216 -3.037 1.00 1.00 O +ATOM 46 CB SER A 5 -1.259 1.401 -5.038 1.00 1.00 C +ATOM 47 OG SER A 5 -1.867 0.360 -4.278 1.00 1.00 O +ATOM 48 H SER A 5 0.843 1.423 -2.619 1.00 1.00 H +ATOM 49 HA SER A 5 0.302 2.875 -4.862 1.00 1.00 H +ATOM 50 HB2 SER A 5 -2.031 2.070 -5.417 1.00 1.00 H +ATOM 51 HB3 SER A 5 -0.755 0.973 -5.902 1.00 1.00 H +ATOM 52 HG SER A 5 -2.330 -0.283 -4.888 1.00 1.00 H +ATOM 53 N LEU A 6 -1.734 2.271 -2.307 1.00 1.00 N +ATOM 54 CA LEU A 6 -2.480 2.890 -1.224 1.00 1.00 C +ATOM 55 C LEU A 6 -3.497 3.872 -1.809 1.00 1.00 C +ATOM 56 O LEU A 6 -3.440 4.199 -2.994 1.00 1.00 O +ATOM 57 CB LEU A 6 -1.525 3.524 -0.209 1.00 1.00 C +ATOM 58 CG LEU A 6 -1.209 2.683 1.029 1.00 1.00 C +ATOM 59 CD1 LEU A 6 0.156 3.058 1.611 1.00 1.00 C +ATOM 60 CD2 LEU A 6 -2.326 2.795 2.068 1.00 1.00 C +ATOM 61 H LEU A 6 -1.840 1.279 -2.378 1.00 1.00 H +ATOM 62 HA LEU A 6 -3.021 2.100 -0.706 1.00 1.00 H +ATOM 63 HB2 LEU A 6 -0.589 3.756 -0.717 1.00 1.00 H +ATOM 64 HB3 LEU A 6 -1.954 4.471 0.118 1.00 1.00 H +ATOM 65 HG LEU A 6 -1.154 1.637 0.728 1.00 1.00 H +ATOM 66 HD11 LEU A 6 0.696 3.682 0.898 1.00 1.00 H +ATOM 67 HD12 LEU A 6 0.016 3.607 2.542 1.00 1.00 H +ATOM 68 HD13 LEU A 6 0.728 2.152 1.807 1.00 1.00 H +ATOM 69 HD21 LEU A 6 -3.284 2.578 1.597 1.00 1.00 H +ATOM 70 HD22 LEU A 6 -2.146 2.082 2.873 1.00 1.00 H +ATOM 71 HD23 LEU A 6 -2.342 3.806 2.476 1.00 1.00 H +ATOM 72 N GLU A 7 -4.403 4.316 -0.950 1.00 1.00 N +ATOM 73 CA GLU A 7 -5.432 5.254 -1.368 1.00 1.00 C +ATOM 74 C GLU A 7 -4.838 6.656 -1.528 1.00 1.00 C +ATOM 75 O GLU A 7 -5.184 7.570 -0.781 1.00 1.00 O +ATOM 76 CB GLU A 7 -6.599 5.265 -0.380 1.00 1.00 C +ATOM 77 CG GLU A 7 -7.836 4.600 -0.985 1.00 1.00 C +ATOM 78 CD GLU A 7 -8.026 3.186 -0.432 1.00 1.00 C +ATOM 79 OE1 GLU A 7 -7.304 2.278 -0.998 1.00 1.00 O +ATOM 80 OE2 GLU A 7 -8.829 2.983 0.491 1.00 1.00 O +ATOM 81 H GLU A 7 -4.443 4.046 0.011 1.00 1.00 H +ATOM 82 HA GLU A 7 -5.783 4.889 -2.332 1.00 1.00 H +ATOM 83 HB2 GLU A 7 -6.311 4.742 0.534 1.00 1.00 H +ATOM 84 HB3 GLU A 7 -6.833 6.290 -0.098 1.00 1.00 H +ATOM 85 HG2 GLU A 7 -8.720 5.201 -0.767 1.00 1.00 H +ATOM 86 HG3 GLU A 7 -7.738 4.560 -2.071 1.00 1.00 H +ATOM 87 N LYS A 8 -3.954 6.781 -2.508 1.00 1.00 N +ATOM 88 CA LYS A 8 -3.310 8.055 -2.776 1.00 1.00 C +ATOM 89 C LYS A 8 -4.374 9.097 -3.123 1.00 1.00 C +ATOM 90 O LYS A 8 -5.220 9.426 -2.294 1.00 1.00 O +ATOM 91 CB LYS A 8 -2.231 7.895 -3.850 1.00 1.00 C +ATOM 92 CG LYS A 8 -1.238 9.057 -3.808 1.00 1.00 C +ATOM 93 CD LYS A 8 -1.011 9.635 -5.206 1.00 1.00 C +ATOM 94 CE LYS A 8 0.435 10.104 -5.377 1.00 1.00 C +ATOM 95 NZ LYS A 8 0.689 11.314 -4.563 1.00 1.00 N +ATOM 96 H LYS A 8 -3.679 6.032 -3.111 1.00 1.00 H +ATOM 97 HA LYS A 8 -2.807 8.366 -1.859 1.00 1.00 H +ATOM 98 HB2 LYS A 8 -1.701 6.954 -3.703 1.00 1.00 H +ATOM 99 HB3 LYS A 8 -2.698 7.845 -4.834 1.00 1.00 H +ATOM 100 HG2 LYS A 8 -1.613 9.836 -3.144 1.00 1.00 H +ATOM 101 HG3 LYS A 8 -0.289 8.715 -3.394 1.00 1.00 H +ATOM 102 HD2 LYS A 8 -1.243 8.880 -5.958 1.00 1.00 H +ATOM 103 HD3 LYS A 8 -1.690 10.471 -5.373 1.00 1.00 H +ATOM 104 HE2 LYS A 8 1.120 9.310 -5.081 1.00 1.00 H +ATOM 105 HE3 LYS A 8 0.632 10.320 -6.428 1.00 1.00 H +ATOM 106 HZ1 LYS A 8 0.210 11.275 -3.668 1.00 1.00 H +ATOM 107 HZ2 LYS A 8 1.679 11.401 -4.387 1.00 1.00 H +ATOM 108 HZ3 LYS A 8 0.361 12.130 -5.060 1.00 1.00 H +ATOM 109 N HIS A 9 -4.296 9.590 -4.351 1.00 1.00 N +ATOM 110 CA HIS A 9 -5.242 10.588 -4.818 1.00 1.00 C +ATOM 111 C HIS A 9 -6.625 9.951 -4.974 1.00 1.00 C +ATOM 112 O HIS A 9 -6.806 8.772 -4.676 1.00 1.00 O +ATOM 113 CB HIS A 9 -4.745 11.246 -6.107 1.00 1.00 C +ATOM 114 CG HIS A 9 -3.690 12.304 -5.888 1.00 1.00 C +ATOM 115 ND1 HIS A 9 -2.858 12.316 -4.781 1.00 1.00 N +ATOM 116 CD2 HIS A 9 -3.338 13.383 -6.645 1.00 1.00 C +ATOM 117 CE1 HIS A 9 -2.048 13.361 -4.879 1.00 1.00 C +ATOM 118 NE2 HIS A 9 -2.347 14.020 -6.034 1.00 1.00 N +ATOM 119 H HIS A 9 -3.604 9.317 -5.021 1.00 1.00 H +ATOM 120 HA HIS A 9 -5.290 11.358 -4.049 1.00 1.00 H +ATOM 121 HB2 HIS A 9 -4.342 10.476 -6.765 1.00 1.00 H +ATOM 122 HB3 HIS A 9 -5.593 11.695 -6.625 1.00 1.00 H +ATOM 123 HD1 HIS A 9 -2.869 11.651 -4.035 1.00 1.00 H +ATOM 124 HD2 HIS A 9 -3.794 13.671 -7.593 1.00 1.00 H +ATOM 125 HE1 HIS A 9 -1.278 13.643 -4.160 1.00 1.00 H +ATOM 126 N SER A 10 -7.564 10.761 -5.439 1.00 1.00 N +ATOM 127 CA SER A 10 -8.926 10.292 -5.638 1.00 1.00 C +ATOM 128 C SER A 10 -9.033 9.545 -6.968 1.00 1.00 C +ATOM 129 O SER A 10 -10.130 9.201 -7.404 1.00 1.00 O +ATOM 130 CB SER A 10 -9.919 11.455 -5.599 1.00 1.00 C +ATOM 131 OG SER A 10 -9.938 12.100 -4.328 1.00 1.00 O +ATOM 132 H SER A 10 -7.409 11.720 -5.678 1.00 1.00 H +ATOM 133 HA SER A 10 -9.122 9.619 -4.803 1.00 1.00 H +ATOM 134 HB2 SER A 10 -9.659 12.180 -6.369 1.00 1.00 H +ATOM 135 HB3 SER A 10 -10.919 11.086 -5.832 1.00 1.00 H +ATOM 136 HG SER A 10 -9.778 13.081 -4.441 1.00 1.00 H +ATOM 137 N TRP A 11 -7.879 9.318 -7.577 1.00 1.00 N +ATOM 138 CA TRP A 11 -7.830 8.617 -8.850 1.00 1.00 C +ATOM 139 C TRP A 11 -6.891 7.419 -8.694 1.00 1.00 C +ATOM 140 O TRP A 11 -6.706 6.646 -9.631 1.00 1.00 O +ATOM 141 CB TRP A 11 -7.412 9.562 -9.979 1.00 1.00 C +ATOM 142 CG TRP A 11 -6.309 10.547 -9.591 1.00 1.00 C +ATOM 143 CD1 TRP A 11 -6.398 11.876 -9.457 1.00 1.00 C +ATOM 144 CD2 TRP A 11 -4.934 10.224 -9.289 1.00 1.00 C +ATOM 145 NE1 TRP A 11 -5.189 12.432 -9.092 1.00 1.00 N +ATOM 146 CE2 TRP A 11 -4.270 11.395 -8.988 1.00 1.00 C +ATOM 147 CE3 TRP A 11 -4.274 8.982 -9.272 1.00 1.00 C +ATOM 148 CZ2 TRP A 11 -2.913 11.440 -8.647 1.00 1.00 C +ATOM 149 CZ3 TRP A 11 -2.919 9.044 -8.931 1.00 1.00 C +ATOM 150 CH2 TRP A 11 -2.235 10.216 -8.624 1.00 1.00 C +ATOM 151 H TRP A 11 -6.991 9.602 -7.216 1.00 1.00 H +ATOM 152 HA TRP A 11 -8.838 8.274 -9.079 1.00 1.00 H +ATOM 153 HB2 TRP A 11 -7.074 8.968 -10.828 1.00 1.00 H +ATOM 154 HB3 TRP A 11 -8.286 10.123 -10.311 1.00 1.00 H +ATOM 155 HD1 TRP A 11 -7.313 12.448 -9.616 1.00 1.00 H +ATOM 156 HE1 TRP A 11 -4.991 13.490 -8.919 1.00 1.00 H +ATOM 157 HE3 TRP A 11 -4.777 8.043 -9.506 1.00 1.00 H +ATOM 158 HZ2 TRP A 11 -2.411 12.379 -8.413 1.00 1.00 H +ATOM 159 HZ3 TRP A 11 -2.359 8.109 -8.901 1.00 1.00 H +ATOM 160 HH2 TRP A 11 -1.177 10.181 -8.366 1.00 1.00 H +ATOM 161 N TYR A 12 -6.323 7.305 -7.502 1.00 1.00 N +ATOM 162 CA TYR A 12 -5.407 6.215 -7.212 1.00 1.00 C +ATOM 163 C TYR A 12 -5.934 5.345 -6.069 1.00 1.00 C +ATOM 164 O TYR A 12 -5.679 5.630 -4.900 1.00 1.00 O +ATOM 165 CB TYR A 12 -4.095 6.869 -6.777 1.00 1.00 C +ATOM 166 CG TYR A 12 -2.848 6.240 -7.401 1.00 1.00 C +ATOM 167 CD1 TYR A 12 -2.869 5.828 -8.718 1.00 1.00 C +ATOM 168 CD2 TYR A 12 -1.702 6.086 -6.649 1.00 1.00 C +ATOM 169 CE1 TYR A 12 -1.695 5.235 -9.306 1.00 1.00 C +ATOM 170 CE2 TYR A 12 -0.528 5.494 -7.237 1.00 1.00 C +ATOM 171 CZ TYR A 12 -0.582 5.099 -8.537 1.00 1.00 C +ATOM 172 OH TYR A 12 0.526 4.541 -9.093 1.00 1.00 O +ATOM 173 H TYR A 12 -6.478 7.938 -6.745 1.00 1.00 H +ATOM 174 HA TYR A 12 -5.317 5.603 -8.111 1.00 1.00 H +ATOM 175 HB2 TYR A 12 -4.125 7.927 -7.036 1.00 1.00 H +ATOM 176 HB3 TYR A 12 -4.014 6.809 -5.691 1.00 1.00 H +ATOM 177 HD1 TYR A 12 -3.774 5.950 -9.313 1.00 1.00 H +ATOM 178 HD2 TYR A 12 -1.686 6.412 -5.609 1.00 1.00 H +ATOM 179 HE1 TYR A 12 -1.699 4.906 -10.346 1.00 1.00 H +ATOM 180 HE2 TYR A 12 0.383 5.367 -6.653 1.00 1.00 H +ATOM 181 HH TYR A 12 0.389 3.557 -9.212 1.00 1.00 H +ATOM 182 N HIS A 13 -6.661 4.303 -6.446 1.00 1.00 N +ATOM 183 CA HIS A 13 -7.227 3.391 -5.466 1.00 1.00 C +ATOM 184 C HIS A 13 -6.589 2.009 -5.624 1.00 1.00 C +ATOM 185 O HIS A 13 -7.195 0.998 -5.269 1.00 1.00 O +ATOM 186 CB HIS A 13 -8.752 3.357 -5.572 1.00 1.00 C +ATOM 187 CG HIS A 13 -9.278 3.676 -6.951 1.00 1.00 C +ATOM 188 ND1 HIS A 13 -10.165 2.852 -7.624 1.00 1.00 N +ATOM 189 CD2 HIS A 13 -9.036 4.736 -7.775 1.00 1.00 C +ATOM 190 CE1 HIS A 13 -10.435 3.402 -8.800 1.00 1.00 C +ATOM 191 NE2 HIS A 13 -9.734 4.569 -8.891 1.00 1.00 N +ATOM 192 H HIS A 13 -6.864 4.079 -7.398 1.00 1.00 H +ATOM 193 HA HIS A 13 -6.970 3.789 -4.484 1.00 1.00 H +ATOM 194 HB2 HIS A 13 -9.104 2.368 -5.281 1.00 1.00 H +ATOM 195 HB3 HIS A 13 -9.171 4.067 -4.861 1.00 1.00 H +ATOM 196 HD1 HIS A 13 -10.538 1.990 -7.282 1.00 1.00 H +ATOM 197 HD2 HIS A 13 -8.380 5.578 -7.553 1.00 1.00 H +ATOM 198 HE1 HIS A 13 -11.101 2.993 -9.561 1.00 1.00 H +ATOM 199 N GLY A 14 -5.376 2.009 -6.158 1.00 1.00 N +ATOM 200 CA GLY A 14 -4.651 0.767 -6.366 1.00 1.00 C +ATOM 201 C GLY A 14 -4.776 0.297 -7.817 1.00 1.00 C +ATOM 202 O GLY A 14 -5.225 1.049 -8.680 1.00 1.00 O +ATOM 203 H GLY A 14 -4.892 2.835 -6.443 1.00 1.00 H +ATOM 204 HA2 GLY A 14 -3.599 0.910 -6.116 1.00 1.00 H +ATOM 205 HA3 GLY A 14 -5.037 0.000 -5.697 1.00 1.00 H +ATOM 206 N PRO A 15 -4.361 -0.977 -8.047 1.00 1.00 N +ATOM 207 CA PRO A 15 -4.422 -1.556 -9.377 1.00 1.00 C +ATOM 208 C PRO A 15 -5.861 -1.922 -9.751 1.00 1.00 C +ATOM 209 O PRO A 15 -6.451 -2.821 -9.154 1.00 1.00 O +ATOM 210 CB PRO A 15 -3.497 -2.762 -9.324 1.00 1.00 C +ATOM 211 CG PRO A 15 -3.317 -3.084 -7.850 1.00 1.00 C +ATOM 212 CD PRO A 15 -3.823 -1.897 -7.048 1.00 1.00 C +ATOM 213 HA PRO A 15 -4.124 -0.890 -10.061 1.00 1.00 H +ATOM 214 HB2 PRO A 15 -3.928 -3.609 -9.860 1.00 1.00 H +ATOM 215 HB3 PRO A 15 -2.540 -2.541 -9.796 1.00 1.00 H +ATOM 216 HG2 PRO A 15 -3.869 -3.986 -7.587 1.00 1.00 H +ATOM 217 HG3 PRO A 15 -2.267 -3.276 -7.628 1.00 1.00 H +ATOM 218 HD2 PRO A 15 -4.590 -2.200 -6.335 1.00 1.00 H +ATOM 219 HD3 PRO A 15 -3.019 -1.435 -6.475 1.00 1.00 H +ATOM 220 N VAL A 16 -6.382 -1.207 -10.737 1.00 1.00 N +ATOM 221 CA VAL A 16 -7.739 -1.445 -11.197 1.00 1.00 C +ATOM 222 C VAL A 16 -7.732 -1.642 -12.713 1.00 1.00 C +ATOM 223 O VAL A 16 -7.320 -0.753 -13.457 1.00 1.00 O +ATOM 224 CB VAL A 16 -8.651 -0.301 -10.747 1.00 1.00 C +ATOM 225 CG1 VAL A 16 -8.503 0.913 -11.668 1.00 1.00 C +ATOM 226 CG2 VAL A 16 -10.109 -0.759 -10.673 1.00 1.00 C +ATOM 227 H VAL A 16 -5.894 -0.478 -11.217 1.00 1.00 H +ATOM 228 HA VAL A 16 -8.090 -2.362 -10.725 1.00 1.00 H +ATOM 229 HB VAL A 16 -8.343 -0.001 -9.745 1.00 1.00 H +ATOM 230 HG11 VAL A 16 -7.501 0.925 -12.095 1.00 1.00 H +ATOM 231 HG12 VAL A 16 -9.240 0.852 -12.469 1.00 1.00 H +ATOM 232 HG13 VAL A 16 -8.666 1.825 -11.094 1.00 1.00 H +ATOM 233 HG21 VAL A 16 -10.324 -1.420 -11.514 1.00 1.00 H +ATOM 234 HG22 VAL A 16 -10.275 -1.295 -9.738 1.00 1.00 H +ATOM 235 HG23 VAL A 16 -10.767 0.109 -10.716 1.00 1.00 H +ATOM 236 N SER A 17 -8.192 -2.813 -13.127 1.00 1.00 N +ATOM 237 CA SER A 17 -8.244 -3.139 -14.543 1.00 1.00 C +ATOM 238 C SER A 17 -8.924 -2.007 -15.316 1.00 1.00 C +ATOM 239 O SER A 17 -9.976 -1.519 -14.910 1.00 1.00 O +ATOM 240 CB SER A 17 -8.981 -4.459 -14.777 1.00 1.00 C +ATOM 241 OG SER A 17 -10.243 -4.491 -14.117 1.00 1.00 O +ATOM 242 H SER A 17 -8.526 -3.530 -12.517 1.00 1.00 H +ATOM 243 HA SER A 17 -7.205 -3.245 -14.853 1.00 1.00 H +ATOM 244 HB2 SER A 17 -9.128 -4.607 -15.848 1.00 1.00 H +ATOM 245 HB3 SER A 17 -8.366 -5.286 -14.424 1.00 1.00 H +ATOM 246 HG SER A 17 -10.353 -5.358 -13.632 1.00 1.00 H +ATOM 247 N ARG A 18 -8.293 -1.623 -16.416 1.00 1.00 N +ATOM 248 CA ARG A 18 -8.824 -0.559 -17.250 1.00 1.00 C +ATOM 249 C ARG A 18 -10.284 -0.840 -17.606 1.00 1.00 C +ATOM 250 O ARG A 18 -11.100 0.079 -17.670 1.00 1.00 O +ATOM 251 CB ARG A 18 -8.012 -0.411 -18.539 1.00 1.00 C +ATOM 252 CG ARG A 18 -6.819 0.525 -18.332 1.00 1.00 C +ATOM 253 CD ARG A 18 -5.524 -0.268 -18.147 1.00 1.00 C +ATOM 254 NE ARG A 18 -4.976 -0.657 -19.465 1.00 1.00 N +ATOM 255 CZ ARG A 18 -3.671 -0.844 -19.709 1.00 1.00 C +ATOM 256 NH1 ARG A 18 -2.775 -0.678 -18.728 1.00 1.00 N +ATOM 257 NH2 ARG A 18 -3.263 -1.195 -20.937 1.00 1.00 N +ATOM 258 H ARG A 18 -7.436 -2.027 -16.739 1.00 1.00 H +ATOM 259 HA ARG A 18 -8.734 0.342 -16.643 1.00 1.00 H +ATOM 260 HB2 ARG A 18 -7.658 -1.389 -18.864 1.00 1.00 H +ATOM 261 HB3 ARG A 18 -8.651 -0.024 -19.333 1.00 1.00 H +ATOM 262 HG2 ARG A 18 -6.723 1.190 -19.190 1.00 1.00 H +ATOM 263 HG3 ARG A 18 -6.993 1.154 -17.460 1.00 1.00 H +ATOM 264 HD2 ARG A 18 -4.796 0.331 -17.602 1.00 1.00 H +ATOM 265 HD3 ARG A 18 -5.717 -1.159 -17.548 1.00 1.00 H +ATOM 266 HE ARG A 18 -5.618 -0.787 -20.221 1.00 1.00 H +ATOM 267 HH11 ARG A 18 -3.079 -0.417 -17.812 1.00 1.00 H +ATOM 268 HH12 ARG A 18 -1.801 -0.819 -18.911 1.00 1.00 H +ATOM 269 HH21 ARG A 18 -3.932 -1.318 -21.670 1.00 1.00 H +ATOM 270 HH22 ARG A 18 -2.290 -1.335 -21.120 1.00 1.00 H +ATOM 271 N ASN A 19 -10.572 -2.114 -17.826 1.00 1.00 N +ATOM 272 CA ASN A 19 -11.921 -2.529 -18.173 1.00 1.00 C +ATOM 273 C ASN A 19 -12.901 -1.980 -17.134 1.00 1.00 C +ATOM 274 O ASN A 19 -13.907 -1.366 -17.488 1.00 1.00 O +ATOM 275 CB ASN A 19 -12.045 -4.053 -18.180 1.00 1.00 C +ATOM 276 CG ASN A 19 -12.128 -4.590 -19.611 1.00 1.00 C +ATOM 277 OD1 ASN A 19 -13.137 -5.121 -20.045 1.00 1.00 O +ATOM 278 ND2 ASN A 19 -11.014 -4.422 -20.317 1.00 1.00 N +ATOM 279 H ASN A 19 -9.903 -2.856 -17.772 1.00 1.00 H +ATOM 280 HA ASN A 19 -12.098 -2.122 -19.169 1.00 1.00 H +ATOM 281 HB2 ASN A 19 -11.186 -4.494 -17.673 1.00 1.00 H +ATOM 282 HB3 ASN A 19 -12.931 -4.353 -17.623 1.00 1.00 H +ATOM 283 HD21 ASN A 19 -10.220 -3.977 -19.902 1.00 1.00 H +ATOM 284 HD22 ASN A 19 -10.970 -4.740 -21.265 1.00 1.00 H +ATOM 285 N ALA A 20 -12.574 -2.222 -15.874 1.00 1.00 N +ATOM 286 CA ALA A 20 -13.413 -1.759 -14.781 1.00 1.00 C +ATOM 287 C ALA A 20 -13.419 -0.231 -14.760 1.00 1.00 C +ATOM 288 O ALA A 20 -14.472 0.389 -14.620 1.00 1.00 O +ATOM 289 CB ALA A 20 -12.914 -2.359 -13.465 1.00 1.00 C +ATOM 290 H ALA A 20 -11.755 -2.723 -15.595 1.00 1.00 H +ATOM 291 HA ALA A 20 -14.427 -2.117 -14.967 1.00 1.00 H +ATOM 292 HB1 ALA A 20 -11.833 -2.228 -13.392 1.00 1.00 H +ATOM 293 HB2 ALA A 20 -13.398 -1.854 -12.629 1.00 1.00 H +ATOM 294 HB3 ALA A 20 -13.154 -3.422 -13.436 1.00 1.00 H +ATOM 295 N ALA A 21 -12.230 0.337 -14.901 1.00 1.00 N +ATOM 296 CA ALA A 21 -12.084 1.783 -14.900 1.00 1.00 C +ATOM 297 C ALA A 21 -13.179 2.401 -15.772 1.00 1.00 C +ATOM 298 O ALA A 21 -13.776 3.410 -15.402 1.00 1.00 O +ATOM 299 CB ALA A 21 -10.679 2.155 -15.377 1.00 1.00 C +ATOM 300 H ALA A 21 -11.377 -0.173 -15.015 1.00 1.00 H +ATOM 301 HA ALA A 21 -12.210 2.128 -13.875 1.00 1.00 H +ATOM 302 HB1 ALA A 21 -10.111 1.247 -15.578 1.00 1.00 H +ATOM 303 HB2 ALA A 21 -10.750 2.749 -16.288 1.00 1.00 H +ATOM 304 HB3 ALA A 21 -10.174 2.735 -14.604 1.00 1.00 H +ATOM 305 N GLU A 22 -13.410 1.769 -16.914 1.00 1.00 N +ATOM 306 CA GLU A 22 -14.423 2.244 -17.841 1.00 1.00 C +ATOM 307 C GLU A 22 -15.817 2.064 -17.243 1.00 1.00 C +ATOM 308 O GLU A 22 -16.685 2.920 -17.412 1.00 1.00 O +ATOM 309 CB GLU A 22 -14.308 1.533 -19.191 1.00 1.00 C +ATOM 310 CG GLU A 22 -12.921 0.911 -19.368 1.00 1.00 C +ATOM 311 CD GLU A 22 -12.576 0.752 -20.849 1.00 1.00 C +ATOM 312 OE1 GLU A 22 -13.079 1.579 -21.641 1.00 1.00 O +ATOM 313 OE2 GLU A 22 -11.818 -0.193 -21.157 1.00 1.00 O +ATOM 314 H GLU A 22 -12.920 0.948 -17.208 1.00 1.00 H +ATOM 315 HA GLU A 22 -14.211 3.306 -17.980 1.00 1.00 H +ATOM 316 HB2 GLU A 22 -15.069 0.755 -19.261 1.00 1.00 H +ATOM 317 HB3 GLU A 22 -14.499 2.239 -19.997 1.00 1.00 H +ATOM 318 HG2 GLU A 22 -12.172 1.539 -18.882 1.00 1.00 H +ATOM 319 HG3 GLU A 22 -12.887 -0.061 -18.876 1.00 1.00 H +ATOM 320 N TYR A 23 -15.992 0.946 -16.553 1.00 1.00 N +ATOM 321 CA TYR A 23 -17.268 0.642 -15.928 1.00 1.00 C +ATOM 322 C TYR A 23 -17.479 1.493 -14.674 1.00 1.00 C +ATOM 323 O TYR A 23 -18.431 2.267 -14.598 1.00 1.00 O +ATOM 324 CB TYR A 23 -17.199 -0.831 -15.525 1.00 1.00 C +ATOM 325 CG TYR A 23 -18.435 -1.329 -14.772 1.00 1.00 C +ATOM 326 CD1 TYR A 23 -18.611 -1.004 -13.443 1.00 1.00 C +ATOM 327 CD2 TYR A 23 -19.373 -2.101 -15.424 1.00 1.00 C +ATOM 328 CE1 TYR A 23 -19.775 -1.472 -12.735 1.00 1.00 C +ATOM 329 CE2 TYR A 23 -20.537 -2.571 -14.716 1.00 1.00 C +ATOM 330 CZ TYR A 23 -20.680 -2.232 -13.407 1.00 1.00 C +ATOM 331 OH TYR A 23 -21.780 -2.675 -12.739 1.00 1.00 O +ATOM 332 H TYR A 23 -15.281 0.255 -16.419 1.00 1.00 H +ATOM 333 HA TYR A 23 -18.056 0.866 -16.647 1.00 1.00 H +ATOM 334 HB2 TYR A 23 -17.064 -1.437 -16.421 1.00 1.00 H +ATOM 335 HB3 TYR A 23 -16.319 -0.986 -14.899 1.00 1.00 H +ATOM 336 HD1 TYR A 23 -17.870 -0.393 -12.928 1.00 1.00 H +ATOM 337 HD2 TYR A 23 -19.235 -2.359 -16.474 1.00 1.00 H +ATOM 338 HE1 TYR A 23 -19.926 -1.222 -11.686 1.00 1.00 H +ATOM 339 HE2 TYR A 23 -21.287 -3.183 -15.220 1.00 1.00 H +ATOM 340 HH TYR A 23 -21.912 -2.137 -11.906 1.00 1.00 H +ATOM 341 N LEU A 24 -16.575 1.319 -13.720 1.00 1.00 N +ATOM 342 CA LEU A 24 -16.651 2.062 -12.474 1.00 1.00 C +ATOM 343 C LEU A 24 -16.997 3.521 -12.773 1.00 1.00 C +ATOM 344 O LEU A 24 -17.819 4.123 -12.083 1.00 1.00 O +ATOM 345 CB LEU A 24 -15.361 1.889 -11.668 1.00 1.00 C +ATOM 346 CG LEU A 24 -15.486 2.075 -10.155 1.00 1.00 C +ATOM 347 CD1 LEU A 24 -14.185 1.692 -9.445 1.00 1.00 C +ATOM 348 CD2 LEU A 24 -15.929 3.498 -9.811 1.00 1.00 C +ATOM 349 H LEU A 24 -15.803 0.687 -13.789 1.00 1.00 H +ATOM 350 HA LEU A 24 -17.460 1.629 -11.885 1.00 1.00 H +ATOM 351 HB2 LEU A 24 -14.967 0.891 -11.861 1.00 1.00 H +ATOM 352 HB3 LEU A 24 -14.624 2.600 -12.042 1.00 1.00 H +ATOM 353 HG LEU A 24 -16.261 1.400 -9.790 1.00 1.00 H +ATOM 354 HD11 LEU A 24 -13.378 1.632 -10.176 1.00 1.00 H +ATOM 355 HD12 LEU A 24 -13.943 2.448 -8.698 1.00 1.00 H +ATOM 356 HD13 LEU A 24 -14.307 0.724 -8.959 1.00 1.00 H +ATOM 357 HD21 LEU A 24 -15.650 4.171 -10.621 1.00 1.00 H +ATOM 358 HD22 LEU A 24 -17.011 3.520 -9.678 1.00 1.00 H +ATOM 359 HD23 LEU A 24 -15.444 3.817 -8.890 1.00 1.00 H +ATOM 360 N LEU A 25 -16.353 4.049 -13.804 1.00 1.00 N +ATOM 361 CA LEU A 25 -16.583 5.428 -14.204 1.00 1.00 C +ATOM 362 C LEU A 25 -18.084 5.658 -14.385 1.00 1.00 C +ATOM 363 O LEU A 25 -18.734 6.243 -13.523 1.00 1.00 O +ATOM 364 CB LEU A 25 -15.753 5.771 -15.444 1.00 1.00 C +ATOM 365 CG LEU A 25 -14.663 6.828 -15.249 1.00 1.00 C +ATOM 366 CD1 LEU A 25 -13.388 6.445 -16.003 1.00 1.00 C +ATOM 367 CD2 LEU A 25 -15.170 8.216 -15.645 1.00 1.00 C +ATOM 368 H LEU A 25 -15.686 3.554 -14.360 1.00 1.00 H +ATOM 369 HA LEU A 25 -16.232 6.065 -13.394 1.00 1.00 H +ATOM 370 HB2 LEU A 25 -15.284 4.857 -15.806 1.00 1.00 H +ATOM 371 HB3 LEU A 25 -16.430 6.115 -16.225 1.00 1.00 H +ATOM 372 HG LEU A 25 -14.411 6.867 -14.190 1.00 1.00 H +ATOM 373 HD11 LEU A 25 -13.221 5.372 -15.914 1.00 1.00 H +ATOM 374 HD12 LEU A 25 -13.495 6.709 -17.055 1.00 1.00 H +ATOM 375 HD13 LEU A 25 -12.541 6.982 -15.578 1.00 1.00 H +ATOM 376 HD21 LEU A 25 -15.967 8.115 -16.382 1.00 1.00 H +ATOM 377 HD22 LEU A 25 -15.552 8.729 -14.764 1.00 1.00 H +ATOM 378 HD23 LEU A 25 -14.350 8.792 -16.075 1.00 1.00 H +ATOM 379 N SER A 26 -18.590 5.184 -15.516 1.00 1.00 N +ATOM 380 CA SER A 26 -20.003 5.332 -15.822 1.00 1.00 C +ATOM 381 C SER A 26 -20.379 6.814 -15.861 1.00 1.00 C +ATOM 382 O SER A 26 -19.834 7.616 -15.104 1.00 1.00 O +ATOM 383 CB SER A 26 -20.868 4.591 -14.799 1.00 1.00 C +ATOM 384 OG SER A 26 -22.260 4.746 -15.065 1.00 1.00 O +ATOM 385 H SER A 26 -18.053 4.709 -16.212 1.00 1.00 H +ATOM 386 HA SER A 26 -20.134 4.877 -16.803 1.00 1.00 H +ATOM 387 HB2 SER A 26 -20.612 3.532 -14.808 1.00 1.00 H +ATOM 388 HB3 SER A 26 -20.647 4.965 -13.799 1.00 1.00 H +ATOM 389 HG SER A 26 -22.428 5.629 -15.504 1.00 1.00 H +ATOM 390 N SER A 27 -21.306 7.134 -16.752 1.00 1.00 N +ATOM 391 CA SER A 27 -21.761 8.505 -16.899 1.00 1.00 C +ATOM 392 C SER A 27 -20.594 9.470 -16.673 1.00 1.00 C +ATOM 393 O SER A 27 -20.451 10.031 -15.588 1.00 1.00 O +ATOM 394 CB SER A 27 -22.902 8.815 -15.930 1.00 1.00 C +ATOM 395 OG SER A 27 -23.218 10.204 -15.902 1.00 1.00 O +ATOM 396 H SER A 27 -21.743 6.475 -17.364 1.00 1.00 H +ATOM 397 HA SER A 27 -22.125 8.579 -17.923 1.00 1.00 H +ATOM 398 HB2 SER A 27 -23.787 8.247 -16.218 1.00 1.00 H +ATOM 399 HB3 SER A 27 -22.627 8.485 -14.928 1.00 1.00 H +ATOM 400 HG SER A 27 -24.148 10.337 -15.558 1.00 1.00 H +ATOM 401 N GLY A 28 -19.793 9.634 -17.715 1.00 1.00 N +ATOM 402 CA GLY A 28 -18.644 10.519 -17.643 1.00 1.00 C +ATOM 403 C GLY A 28 -19.053 11.970 -17.916 1.00 1.00 C +ATOM 404 O GLY A 28 -19.751 12.249 -18.889 1.00 1.00 O +ATOM 405 H GLY A 28 -19.917 9.172 -18.593 1.00 1.00 H +ATOM 406 HA2 GLY A 28 -18.185 10.448 -16.656 1.00 1.00 H +ATOM 407 HA3 GLY A 28 -17.892 10.208 -18.368 1.00 1.00 H +ATOM 408 N ILE A 29 -18.598 12.854 -17.040 1.00 1.00 N +ATOM 409 CA ILE A 29 -18.909 14.268 -17.173 1.00 1.00 C +ATOM 410 C ILE A 29 -17.986 14.889 -18.223 1.00 1.00 C +ATOM 411 O ILE A 29 -17.235 14.181 -18.895 1.00 1.00 O +ATOM 412 CB ILE A 29 -18.848 14.961 -15.811 1.00 1.00 C +ATOM 413 CG1 ILE A 29 -17.458 15.548 -15.557 1.00 1.00 C +ATOM 414 CG2 ILE A 29 -19.282 14.011 -14.693 1.00 1.00 C +ATOM 415 CD1 ILE A 29 -17.418 16.312 -14.233 1.00 1.00 C +ATOM 416 H ILE A 29 -18.031 12.619 -16.251 1.00 1.00 H +ATOM 417 HA ILE A 29 -19.936 14.345 -17.529 1.00 1.00 H +ATOM 418 HB ILE A 29 -19.553 15.792 -15.820 1.00 1.00 H +ATOM 419 HG12 ILE A 29 -16.718 14.749 -15.542 1.00 1.00 H +ATOM 420 HG13 ILE A 29 -17.187 16.217 -16.374 1.00 1.00 H +ATOM 421 HG21 ILE A 29 -19.984 13.279 -15.090 1.00 1.00 H +ATOM 422 HG22 ILE A 29 -18.407 13.498 -14.293 1.00 1.00 H +ATOM 423 HG23 ILE A 29 -19.763 14.582 -13.898 1.00 1.00 H +ATOM 424 HD11 ILE A 29 -17.962 15.749 -13.473 1.00 1.00 H +ATOM 425 HD12 ILE A 29 -16.384 16.442 -13.918 1.00 1.00 H +ATOM 426 HD13 ILE A 29 -17.885 17.290 -14.362 1.00 1.00 H +ATOM 427 N ASN A 30 -18.069 16.207 -18.333 1.00 1.00 N +ATOM 428 CA ASN A 30 -17.251 16.933 -19.289 1.00 1.00 C +ATOM 429 C ASN A 30 -15.831 17.071 -18.736 1.00 1.00 C +ATOM 430 O ASN A 30 -15.132 18.036 -19.046 1.00 1.00 O +ATOM 431 CB ASN A 30 -17.803 18.339 -19.530 1.00 1.00 C +ATOM 432 CG ASN A 30 -18.630 18.389 -20.818 1.00 1.00 C +ATOM 433 OD1 ASN A 30 -19.845 18.491 -20.802 1.00 1.00 O +ATOM 434 ND2 ASN A 30 -17.904 18.313 -21.930 1.00 1.00 N +ATOM 435 H ASN A 30 -18.683 16.776 -17.783 1.00 1.00 H +ATOM 436 HA ASN A 30 -17.287 16.342 -20.204 1.00 1.00 H +ATOM 437 HB2 ASN A 30 -18.422 18.642 -18.685 1.00 1.00 H +ATOM 438 HB3 ASN A 30 -16.980 19.051 -19.596 1.00 1.00 H +ATOM 439 HD21 ASN A 30 -16.909 18.231 -21.872 1.00 1.00 H +ATOM 440 HD22 ASN A 30 -18.354 18.337 -22.822 1.00 1.00 H +ATOM 441 N GLY A 31 -15.447 16.094 -17.928 1.00 1.00 N +ATOM 442 CA GLY A 31 -14.123 16.095 -17.329 1.00 1.00 C +ATOM 443 C GLY A 31 -13.999 14.998 -16.271 1.00 1.00 C +ATOM 444 O GLY A 31 -14.401 15.186 -15.125 1.00 1.00 O +ATOM 445 H GLY A 31 -16.022 15.315 -17.681 1.00 1.00 H +ATOM 446 HA2 GLY A 31 -13.370 15.946 -18.102 1.00 1.00 H +ATOM 447 HA3 GLY A 31 -13.926 17.066 -16.875 1.00 1.00 H +ATOM 448 N SER A 32 -13.441 13.871 -16.695 1.00 1.00 N +ATOM 449 CA SER A 32 -13.260 12.744 -15.797 1.00 1.00 C +ATOM 450 C SER A 32 -12.050 11.916 -16.238 1.00 1.00 C +ATOM 451 O SER A 32 -11.938 11.543 -17.405 1.00 1.00 O +ATOM 452 CB SER A 32 -14.512 11.868 -15.753 1.00 1.00 C +ATOM 453 OG SER A 32 -15.038 11.619 -17.055 1.00 1.00 O +ATOM 454 H SER A 32 -13.116 13.726 -17.629 1.00 1.00 H +ATOM 455 HA SER A 32 -13.086 13.180 -14.815 1.00 1.00 H +ATOM 456 HB2 SER A 32 -14.276 10.919 -15.271 1.00 1.00 H +ATOM 457 HB3 SER A 32 -15.274 12.355 -15.143 1.00 1.00 H +ATOM 458 HG SER A 32 -14.658 12.274 -17.707 1.00 1.00 H +ATOM 459 N PHE A 33 -11.172 11.653 -15.279 1.00 1.00 N +ATOM 460 CA PHE A 33 -9.976 10.875 -15.554 1.00 1.00 C +ATOM 461 C PHE A 33 -9.764 9.802 -14.486 1.00 1.00 C +ATOM 462 O PHE A 33 -10.327 9.883 -13.396 1.00 1.00 O +ATOM 463 CB PHE A 33 -8.795 11.848 -15.523 1.00 1.00 C +ATOM 464 CG PHE A 33 -9.087 13.201 -16.176 1.00 1.00 C +ATOM 465 CD1 PHE A 33 -10.224 13.878 -15.860 1.00 1.00 C +ATOM 466 CD2 PHE A 33 -8.209 13.726 -17.073 1.00 1.00 C +ATOM 467 CE1 PHE A 33 -10.494 15.133 -16.466 1.00 1.00 C +ATOM 468 CE2 PHE A 33 -8.479 14.983 -17.679 1.00 1.00 C +ATOM 469 CZ PHE A 33 -9.616 15.659 -17.362 1.00 1.00 C +ATOM 470 H PHE A 33 -11.270 11.959 -14.332 1.00 1.00 H +ATOM 471 HA PHE A 33 -10.114 10.399 -16.523 1.00 1.00 H +ATOM 472 HB2 PHE A 33 -8.499 12.013 -14.487 1.00 1.00 H +ATOM 473 HB3 PHE A 33 -7.945 11.388 -16.029 1.00 1.00 H +ATOM 474 HD1 PHE A 33 -10.926 13.456 -15.143 1.00 1.00 H +ATOM 475 HD2 PHE A 33 -7.297 13.185 -17.325 1.00 1.00 H +ATOM 476 HE1 PHE A 33 -11.404 15.676 -16.213 1.00 1.00 H +ATOM 477 HE2 PHE A 33 -7.775 15.404 -18.396 1.00 1.00 H +ATOM 478 HZ PHE A 33 -9.824 16.623 -17.827 1.00 1.00 H +ATOM 479 N LEU A 34 -8.948 8.817 -14.836 1.00 1.00 N +ATOM 480 CA LEU A 34 -8.654 7.728 -13.920 1.00 1.00 C +ATOM 481 C LEU A 34 -7.178 7.344 -14.048 1.00 1.00 C +ATOM 482 O LEU A 34 -6.480 7.836 -14.933 1.00 1.00 O +ATOM 483 CB LEU A 34 -9.615 6.560 -14.151 1.00 1.00 C +ATOM 484 CG LEU A 34 -10.604 6.270 -13.020 1.00 1.00 C +ATOM 485 CD1 LEU A 34 -11.560 5.141 -13.404 1.00 1.00 C +ATOM 486 CD2 LEU A 34 -9.868 5.979 -11.711 1.00 1.00 C +ATOM 487 H LEU A 34 -8.493 8.757 -15.724 1.00 1.00 H +ATOM 488 HA LEU A 34 -8.829 8.095 -12.909 1.00 1.00 H +ATOM 489 HB2 LEU A 34 -10.181 6.757 -15.061 1.00 1.00 H +ATOM 490 HB3 LEU A 34 -9.026 5.661 -14.331 1.00 1.00 H +ATOM 491 HG LEU A 34 -11.207 7.163 -12.857 1.00 1.00 H +ATOM 492 HD11 LEU A 34 -12.010 5.358 -14.373 1.00 1.00 H +ATOM 493 HD12 LEU A 34 -11.009 4.201 -13.462 1.00 1.00 H +ATOM 494 HD13 LEU A 34 -12.344 5.055 -12.650 1.00 1.00 H +ATOM 495 HD21 LEU A 34 -8.984 6.615 -11.640 1.00 1.00 H +ATOM 496 HD22 LEU A 34 -10.530 6.184 -10.868 1.00 1.00 H +ATOM 497 HD23 LEU A 34 -9.565 4.933 -11.689 1.00 1.00 H +ATOM 498 N VAL A 35 -6.747 6.469 -13.151 1.00 1.00 N +ATOM 499 CA VAL A 35 -5.367 6.014 -13.152 1.00 1.00 C +ATOM 500 C VAL A 35 -5.336 4.492 -13.011 1.00 1.00 C +ATOM 501 O VAL A 35 -6.197 3.908 -12.353 1.00 1.00 O +ATOM 502 CB VAL A 35 -4.579 6.732 -12.056 1.00 1.00 C +ATOM 503 CG1 VAL A 35 -3.219 6.068 -11.832 1.00 1.00 C +ATOM 504 CG2 VAL A 35 -4.415 8.218 -12.381 1.00 1.00 C +ATOM 505 H VAL A 35 -7.321 6.074 -12.434 1.00 1.00 H +ATOM 506 HA VAL A 35 -4.932 6.287 -14.114 1.00 1.00 H +ATOM 507 HB VAL A 35 -5.146 6.654 -11.129 1.00 1.00 H +ATOM 508 HG11 VAL A 35 -3.357 4.994 -11.699 1.00 1.00 H +ATOM 509 HG12 VAL A 35 -2.580 6.247 -12.697 1.00 1.00 H +ATOM 510 HG13 VAL A 35 -2.752 6.486 -10.941 1.00 1.00 H +ATOM 511 HG21 VAL A 35 -4.987 8.459 -13.278 1.00 1.00 H +ATOM 512 HG22 VAL A 35 -4.779 8.815 -11.546 1.00 1.00 H +ATOM 513 HG23 VAL A 35 -3.361 8.440 -12.553 1.00 1.00 H +ATOM 514 N ARG A 36 -4.336 3.890 -13.639 1.00 1.00 N +ATOM 515 CA ARG A 36 -4.183 2.447 -13.591 1.00 1.00 C +ATOM 516 C ARG A 36 -2.765 2.079 -13.150 1.00 1.00 C +ATOM 517 O ARG A 36 -1.852 2.899 -13.232 1.00 1.00 O +ATOM 518 CB ARG A 36 -4.465 1.817 -14.956 1.00 1.00 C +ATOM 519 CG ARG A 36 -5.453 0.658 -14.832 1.00 1.00 C +ATOM 520 CD ARG A 36 -4.734 -0.636 -14.439 1.00 1.00 C +ATOM 521 NE ARG A 36 -5.036 -1.702 -15.423 1.00 1.00 N +ATOM 522 CZ ARG A 36 -4.103 -2.365 -16.120 1.00 1.00 C +ATOM 523 NH1 ARG A 36 -2.806 -2.076 -15.947 1.00 1.00 N +ATOM 524 NH2 ARG A 36 -4.468 -3.315 -16.991 1.00 1.00 N +ATOM 525 H ARG A 36 -3.641 4.372 -14.171 1.00 1.00 H +ATOM 526 HA ARG A 36 -4.920 2.111 -12.862 1.00 1.00 H +ATOM 527 HB2 ARG A 36 -4.868 2.572 -15.632 1.00 1.00 H +ATOM 528 HB3 ARG A 36 -3.533 1.461 -15.396 1.00 1.00 H +ATOM 529 HG2 ARG A 36 -6.210 0.897 -14.086 1.00 1.00 H +ATOM 530 HG3 ARG A 36 -5.975 0.514 -15.780 1.00 1.00 H +ATOM 531 HD2 ARG A 36 -3.659 -0.465 -14.394 1.00 1.00 H +ATOM 532 HD3 ARG A 36 -5.050 -0.949 -13.444 1.00 1.00 H +ATOM 533 HE ARG A 36 -5.994 -1.940 -15.576 1.00 1.00 H +ATOM 534 HH11 ARG A 36 -2.533 -1.367 -15.298 1.00 1.00 H +ATOM 535 HH12 ARG A 36 -2.111 -2.572 -16.468 1.00 1.00 H +ATOM 536 HH21 ARG A 36 -5.436 -3.529 -17.120 1.00 1.00 H +ATOM 537 HH22 ARG A 36 -3.773 -3.810 -17.511 1.00 1.00 H +ATOM 538 N GLU A 37 -2.624 0.843 -12.693 1.00 1.00 N +ATOM 539 CA GLU A 37 -1.332 0.355 -12.240 1.00 1.00 C +ATOM 540 C GLU A 37 -0.881 -0.830 -13.097 1.00 1.00 C +ATOM 541 O GLU A 37 -1.699 -1.477 -13.747 1.00 1.00 O +ATOM 542 CB GLU A 37 -1.379 -0.025 -10.760 1.00 1.00 C +ATOM 543 CG GLU A 37 -0.066 -0.676 -10.318 1.00 1.00 C +ATOM 544 CD GLU A 37 0.028 -0.741 -8.793 1.00 1.00 C +ATOM 545 OE1 GLU A 37 -1.002 -1.090 -8.175 1.00 1.00 O +ATOM 546 OE2 GLU A 37 1.128 -0.443 -8.278 1.00 1.00 O +ATOM 547 H GLU A 37 -3.370 0.181 -12.631 1.00 1.00 H +ATOM 548 HA GLU A 37 -0.644 1.191 -12.373 1.00 1.00 H +ATOM 549 HB2 GLU A 37 -1.569 0.863 -10.157 1.00 1.00 H +ATOM 550 HB3 GLU A 37 -2.207 -0.714 -10.583 1.00 1.00 H +ATOM 551 HG2 GLU A 37 0.005 -1.681 -10.735 1.00 1.00 H +ATOM 552 HG3 GLU A 37 0.776 -0.107 -10.714 1.00 1.00 H +ATOM 553 N SER A 38 0.421 -1.074 -13.072 1.00 1.00 N +ATOM 554 CA SER A 38 0.992 -2.170 -13.839 1.00 1.00 C +ATOM 555 C SER A 38 0.120 -3.419 -13.694 1.00 1.00 C +ATOM 556 O SER A 38 -0.626 -3.551 -12.725 1.00 1.00 O +ATOM 557 CB SER A 38 2.425 -2.467 -13.391 1.00 1.00 C +ATOM 558 OG SER A 38 2.466 -3.098 -12.115 1.00 1.00 O +ATOM 559 H SER A 38 1.080 -0.542 -12.541 1.00 1.00 H +ATOM 560 HA SER A 38 0.997 -1.826 -14.873 1.00 1.00 H +ATOM 561 HB2 SER A 38 2.908 -3.108 -14.130 1.00 1.00 H +ATOM 562 HB3 SER A 38 2.994 -1.538 -13.356 1.00 1.00 H +ATOM 563 HG SER A 38 2.376 -2.413 -11.392 1.00 1.00 H +ATOM 564 N GLU A 39 0.245 -4.305 -14.671 1.00 1.00 N +ATOM 565 CA GLU A 39 -0.521 -5.540 -14.664 1.00 1.00 C +ATOM 566 C GLU A 39 0.409 -6.743 -14.828 1.00 1.00 C +ATOM 567 O GLU A 39 0.167 -7.802 -14.252 1.00 1.00 O +ATOM 568 CB GLU A 39 -1.596 -5.523 -15.754 1.00 1.00 C +ATOM 569 CG GLU A 39 -2.731 -6.492 -15.419 1.00 1.00 C +ATOM 570 CD GLU A 39 -2.742 -7.679 -16.384 1.00 1.00 C +ATOM 571 OE1 GLU A 39 -2.831 -7.419 -17.603 1.00 1.00 O +ATOM 572 OE2 GLU A 39 -2.661 -8.821 -15.882 1.00 1.00 O +ATOM 573 H GLU A 39 0.855 -4.190 -15.455 1.00 1.00 H +ATOM 574 HA GLU A 39 -1.005 -5.576 -13.687 1.00 1.00 H +ATOM 575 HB2 GLU A 39 -1.993 -4.514 -15.863 1.00 1.00 H +ATOM 576 HB3 GLU A 39 -1.151 -5.796 -16.711 1.00 1.00 H +ATOM 577 HG2 GLU A 39 -2.616 -6.853 -14.396 1.00 1.00 H +ATOM 578 HG3 GLU A 39 -3.687 -5.970 -15.468 1.00 1.00 H +ATOM 579 N SER A 40 1.453 -6.540 -15.618 1.00 1.00 N +ATOM 580 CA SER A 40 2.421 -7.595 -15.866 1.00 1.00 C +ATOM 581 C SER A 40 3.833 -7.006 -15.929 1.00 1.00 C +ATOM 582 O SER A 40 4.762 -7.665 -16.391 1.00 1.00 O +ATOM 583 CB SER A 40 2.100 -8.344 -17.161 1.00 1.00 C +ATOM 584 OG SER A 40 1.371 -9.544 -16.918 1.00 1.00 O +ATOM 585 H SER A 40 1.643 -5.674 -16.084 1.00 1.00 H +ATOM 586 HA SER A 40 2.328 -8.275 -15.020 1.00 1.00 H +ATOM 587 HB2 SER A 40 1.522 -7.696 -17.820 1.00 1.00 H +ATOM 588 HB3 SER A 40 3.027 -8.582 -17.682 1.00 1.00 H +ATOM 589 HG SER A 40 1.178 -10.008 -17.781 1.00 1.00 H +ATOM 590 N SER A 41 3.946 -5.773 -15.457 1.00 1.00 N +ATOM 591 CA SER A 41 5.228 -5.089 -15.455 1.00 1.00 C +ATOM 592 C SER A 41 5.600 -4.683 -14.028 1.00 1.00 C +ATOM 593 O SER A 41 4.755 -4.199 -13.276 1.00 1.00 O +ATOM 594 CB SER A 41 5.199 -3.861 -16.367 1.00 1.00 C +ATOM 595 OG SER A 41 5.671 -4.159 -17.677 1.00 1.00 O +ATOM 596 H SER A 41 3.183 -5.246 -15.084 1.00 1.00 H +ATOM 597 HA SER A 41 5.943 -5.814 -15.845 1.00 1.00 H +ATOM 598 HB2 SER A 41 4.180 -3.478 -16.427 1.00 1.00 H +ATOM 599 HB3 SER A 41 5.812 -3.072 -15.932 1.00 1.00 H +ATOM 600 HG SER A 41 5.305 -5.039 -17.982 1.00 1.00 H +ATOM 601 N PRO A 42 6.900 -4.897 -13.689 1.00 1.00 N +ATOM 602 CA PRO A 42 7.395 -4.558 -12.365 1.00 1.00 C +ATOM 603 C PRO A 42 7.570 -3.045 -12.217 1.00 1.00 C +ATOM 604 O PRO A 42 8.424 -2.448 -12.871 1.00 1.00 O +ATOM 605 CB PRO A 42 8.700 -5.323 -12.224 1.00 1.00 C +ATOM 606 CG PRO A 42 9.121 -5.692 -13.637 1.00 1.00 C +ATOM 607 CD PRO A 42 7.929 -5.467 -14.553 1.00 1.00 C +ATOM 608 HA PRO A 42 6.730 -4.825 -11.667 1.00 1.00 H +ATOM 609 HB2 PRO A 42 9.459 -4.714 -11.737 1.00 1.00 H +ATOM 610 HB3 PRO A 42 8.564 -6.215 -11.613 1.00 1.00 H +ATOM 611 HG2 PRO A 42 9.966 -5.082 -13.956 1.00 1.00 H +ATOM 612 HG3 PRO A 42 9.444 -6.733 -13.681 1.00 1.00 H +ATOM 613 HD2 PRO A 42 8.180 -4.790 -15.370 1.00 1.00 H +ATOM 614 HD3 PRO A 42 7.594 -6.401 -15.005 1.00 1.00 H +ATOM 615 N GLY A 43 6.748 -2.468 -11.353 1.00 1.00 N +ATOM 616 CA GLY A 43 6.802 -1.037 -11.111 1.00 1.00 C +ATOM 617 C GLY A 43 6.374 -0.254 -12.353 1.00 1.00 C +ATOM 618 O GLY A 43 7.169 0.491 -12.926 1.00 1.00 O +ATOM 619 H GLY A 43 6.056 -2.960 -10.825 1.00 1.00 H +ATOM 620 HA2 GLY A 43 6.151 -0.781 -10.275 1.00 1.00 H +ATOM 621 HA3 GLY A 43 7.814 -0.750 -10.826 1.00 1.00 H +ATOM 622 N GLN A 44 5.119 -0.447 -12.733 1.00 1.00 N +ATOM 623 CA GLN A 44 4.577 0.231 -13.898 1.00 1.00 C +ATOM 624 C GLN A 44 3.264 0.929 -13.541 1.00 1.00 C +ATOM 625 O GLN A 44 2.509 0.447 -12.698 1.00 1.00 O +ATOM 626 CB GLN A 44 4.382 -0.744 -15.060 1.00 1.00 C +ATOM 627 CG GLN A 44 5.252 -0.354 -16.256 1.00 1.00 C +ATOM 628 CD GLN A 44 6.728 -0.277 -15.859 1.00 1.00 C +ATOM 629 OE1 GLN A 44 7.429 -1.271 -15.776 1.00 1.00 O +ATOM 630 NE2 GLN A 44 7.158 0.958 -15.618 1.00 1.00 N +ATOM 631 H GLN A 44 4.480 -1.055 -12.263 1.00 1.00 H +ATOM 632 HA GLN A 44 5.326 0.972 -14.177 1.00 1.00 H +ATOM 633 HB2 GLN A 44 4.633 -1.755 -14.738 1.00 1.00 H +ATOM 634 HB3 GLN A 44 3.334 -0.756 -15.358 1.00 1.00 H +ATOM 635 HG2 GLN A 44 5.126 -1.083 -17.057 1.00 1.00 H +ATOM 636 HG3 GLN A 44 4.927 0.608 -16.649 1.00 1.00 H +ATOM 637 HE21 GLN A 44 6.530 1.733 -15.703 1.00 1.00 H +ATOM 638 HE22 GLN A 44 8.110 1.113 -15.349 1.00 1.00 H +ATOM 639 N ARG A 45 3.029 2.053 -14.203 1.00 1.00 N +ATOM 640 CA ARG A 45 1.819 2.822 -13.967 1.00 1.00 C +ATOM 641 C ARG A 45 1.147 3.178 -15.294 1.00 1.00 C +ATOM 642 O ARG A 45 1.802 3.212 -16.335 1.00 1.00 O +ATOM 643 CB ARG A 45 2.126 4.109 -13.198 1.00 1.00 C +ATOM 644 CG ARG A 45 2.503 3.804 -11.746 1.00 1.00 C +ATOM 645 CD ARG A 45 4.021 3.720 -11.580 1.00 1.00 C +ATOM 646 NE ARG A 45 4.372 2.563 -10.725 1.00 1.00 N +ATOM 647 CZ ARG A 45 5.502 2.475 -10.008 1.00 1.00 C +ATOM 648 NH1 ARG A 45 6.395 3.473 -10.040 1.00 1.00 N +ATOM 649 NH2 ARG A 45 5.736 1.388 -9.261 1.00 1.00 N +ATOM 650 H ARG A 45 3.647 2.439 -14.888 1.00 1.00 H +ATOM 651 HA ARG A 45 1.185 2.168 -13.369 1.00 1.00 H +ATOM 652 HB2 ARG A 45 2.942 4.642 -13.685 1.00 1.00 H +ATOM 653 HB3 ARG A 45 1.258 4.768 -13.222 1.00 1.00 H +ATOM 654 HG2 ARG A 45 2.105 4.581 -11.093 1.00 1.00 H +ATOM 655 HG3 ARG A 45 2.046 2.864 -11.439 1.00 1.00 H +ATOM 656 HD2 ARG A 45 4.497 3.619 -12.555 1.00 1.00 H +ATOM 657 HD3 ARG A 45 4.398 4.640 -11.135 1.00 1.00 H +ATOM 658 HE ARG A 45 3.727 1.801 -10.679 1.00 1.00 H +ATOM 659 HH11 ARG A 45 6.220 4.283 -10.598 1.00 1.00 H +ATOM 660 HH12 ARG A 45 7.238 3.407 -9.506 1.00 1.00 H +ATOM 661 HH21 ARG A 45 5.071 0.643 -9.237 1.00 1.00 H +ATOM 662 HH22 ARG A 45 6.579 1.322 -8.726 1.00 1.00 H +ATOM 663 N SER A 46 -0.150 3.432 -15.215 1.00 1.00 N +ATOM 664 CA SER A 46 -0.918 3.785 -16.398 1.00 1.00 C +ATOM 665 C SER A 46 -1.845 4.961 -16.090 1.00 1.00 C +ATOM 666 O SER A 46 -2.091 5.273 -14.926 1.00 1.00 O +ATOM 667 CB SER A 46 -1.727 2.588 -16.905 1.00 1.00 C +ATOM 668 OG SER A 46 -1.520 1.426 -16.106 1.00 1.00 O +ATOM 669 H SER A 46 -0.675 3.402 -14.364 1.00 1.00 H +ATOM 670 HA SER A 46 -0.178 4.066 -17.147 1.00 1.00 H +ATOM 671 HB2 SER A 46 -2.787 2.843 -16.908 1.00 1.00 H +ATOM 672 HB3 SER A 46 -1.448 2.373 -17.937 1.00 1.00 H +ATOM 673 HG SER A 46 -1.958 0.636 -16.533 1.00 1.00 H +ATOM 674 N ILE A 47 -2.335 5.581 -17.153 1.00 1.00 N +ATOM 675 CA ILE A 47 -3.231 6.717 -17.009 1.00 1.00 C +ATOM 676 C ILE A 47 -4.563 6.398 -17.691 1.00 1.00 C +ATOM 677 O ILE A 47 -4.594 5.716 -18.714 1.00 1.00 O +ATOM 678 CB ILE A 47 -2.565 7.994 -17.527 1.00 1.00 C +ATOM 679 CG1 ILE A 47 -2.128 8.892 -16.368 1.00 1.00 C +ATOM 680 CG2 ILE A 47 -3.477 8.728 -18.509 1.00 1.00 C +ATOM 681 CD1 ILE A 47 -3.166 8.880 -15.244 1.00 1.00 C +ATOM 682 H ILE A 47 -2.130 5.321 -18.095 1.00 1.00 H +ATOM 683 HA ILE A 47 -3.413 6.857 -15.944 1.00 1.00 H +ATOM 684 HB ILE A 47 -1.664 7.712 -18.072 1.00 1.00 H +ATOM 685 HG12 ILE A 47 -1.166 8.555 -15.985 1.00 1.00 H +ATOM 686 HG13 ILE A 47 -1.989 9.912 -16.728 1.00 1.00 H +ATOM 687 HG21 ILE A 47 -3.961 8.005 -19.168 1.00 1.00 H +ATOM 688 HG22 ILE A 47 -4.237 9.281 -17.957 1.00 1.00 H +ATOM 689 HG23 ILE A 47 -2.885 9.422 -19.107 1.00 1.00 H +ATOM 690 HD11 ILE A 47 -4.153 8.686 -15.662 1.00 1.00 H +ATOM 691 HD12 ILE A 47 -2.914 8.096 -14.528 1.00 1.00 H +ATOM 692 HD13 ILE A 47 -3.165 9.844 -14.738 1.00 1.00 H +ATOM 693 N SER A 48 -5.632 6.909 -17.097 1.00 1.00 N +ATOM 694 CA SER A 48 -6.964 6.688 -17.635 1.00 1.00 C +ATOM 695 C SER A 48 -7.703 8.021 -17.765 1.00 1.00 C +ATOM 696 O SER A 48 -7.603 8.879 -16.889 1.00 1.00 O +ATOM 697 CB SER A 48 -7.760 5.724 -16.753 1.00 1.00 C +ATOM 698 OG SER A 48 -8.080 4.515 -17.437 1.00 1.00 O +ATOM 699 H SER A 48 -5.598 7.463 -16.266 1.00 1.00 H +ATOM 700 HA SER A 48 -6.809 6.238 -18.615 1.00 1.00 H +ATOM 701 HB2 SER A 48 -7.184 5.492 -15.857 1.00 1.00 H +ATOM 702 HB3 SER A 48 -8.679 6.209 -16.424 1.00 1.00 H +ATOM 703 HG SER A 48 -8.707 4.705 -18.193 1.00 1.00 H +ATOM 704 N LEU A 49 -8.428 8.153 -18.867 1.00 1.00 N +ATOM 705 CA LEU A 49 -9.183 9.367 -19.124 1.00 1.00 C +ATOM 706 C LEU A 49 -10.603 8.997 -19.561 1.00 1.00 C +ATOM 707 O LEU A 49 -10.817 7.943 -20.158 1.00 1.00 O +ATOM 708 CB LEU A 49 -8.444 10.256 -20.126 1.00 1.00 C +ATOM 709 CG LEU A 49 -6.920 10.117 -20.149 1.00 1.00 C +ATOM 710 CD1 LEU A 49 -6.308 10.584 -18.828 1.00 1.00 C +ATOM 711 CD2 LEU A 49 -6.505 8.687 -20.500 1.00 1.00 C +ATOM 712 H LEU A 49 -8.504 7.450 -19.574 1.00 1.00 H +ATOM 713 HA LEU A 49 -9.243 9.920 -18.187 1.00 1.00 H +ATOM 714 HB2 LEU A 49 -8.824 10.038 -21.124 1.00 1.00 H +ATOM 715 HB3 LEU A 49 -8.692 11.296 -19.911 1.00 1.00 H +ATOM 716 HG LEU A 49 -6.531 10.767 -20.933 1.00 1.00 H +ATOM 717 HD11 LEU A 49 -6.995 11.269 -18.330 1.00 1.00 H +ATOM 718 HD12 LEU A 49 -6.126 9.722 -18.187 1.00 1.00 H +ATOM 719 HD13 LEU A 49 -5.366 11.095 -19.025 1.00 1.00 H +ATOM 720 HD21 LEU A 49 -7.343 8.171 -20.968 1.00 1.00 H +ATOM 721 HD22 LEU A 49 -5.662 8.713 -21.191 1.00 1.00 H +ATOM 722 HD23 LEU A 49 -6.215 8.161 -19.592 1.00 1.00 H +ATOM 723 N ARG A 50 -11.535 9.884 -19.246 1.00 1.00 N +ATOM 724 CA ARG A 50 -12.927 9.664 -19.598 1.00 1.00 C +ATOM 725 C ARG A 50 -13.602 10.991 -19.948 1.00 1.00 C +ATOM 726 O ARG A 50 -13.472 11.970 -19.214 1.00 1.00 O +ATOM 727 CB ARG A 50 -13.688 8.998 -18.450 1.00 1.00 C +ATOM 728 CG ARG A 50 -14.776 8.064 -18.980 1.00 1.00 C +ATOM 729 CD ARG A 50 -16.169 8.648 -18.732 1.00 1.00 C +ATOM 730 NE ARG A 50 -17.120 7.564 -18.402 1.00 1.00 N +ATOM 731 CZ ARG A 50 -17.562 6.657 -19.283 1.00 1.00 C +ATOM 732 NH1 ARG A 50 -17.143 6.698 -20.555 1.00 1.00 N +ATOM 733 NH2 ARG A 50 -18.425 5.709 -18.893 1.00 1.00 N +ATOM 734 H ARG A 50 -11.352 10.738 -18.761 1.00 1.00 H +ATOM 735 HA ARG A 50 -12.895 9.001 -20.464 1.00 1.00 H +ATOM 736 HB2 ARG A 50 -12.992 8.436 -17.827 1.00 1.00 H +ATOM 737 HB3 ARG A 50 -14.136 9.763 -17.815 1.00 1.00 H +ATOM 738 HG2 ARG A 50 -14.631 7.901 -20.048 1.00 1.00 H +ATOM 739 HG3 ARG A 50 -14.694 7.091 -18.495 1.00 1.00 H +ATOM 740 HD2 ARG A 50 -16.129 9.370 -17.917 1.00 1.00 H +ATOM 741 HD3 ARG A 50 -16.510 9.185 -19.618 1.00 1.00 H +ATOM 742 HE ARG A 50 -17.454 7.505 -17.460 1.00 1.00 H +ATOM 743 HH11 ARG A 50 -16.497 7.406 -20.845 1.00 1.00 H +ATOM 744 HH12 ARG A 50 -17.472 6.022 -21.213 1.00 1.00 H +ATOM 745 HH21 ARG A 50 -18.740 5.679 -17.944 1.00 1.00 H +ATOM 746 HH22 ARG A 50 -18.756 5.032 -19.551 1.00 1.00 H +ATOM 747 N TYR A 51 -14.312 10.982 -21.066 1.00 1.00 N +ATOM 748 CA TYR A 51 -15.009 12.173 -21.522 1.00 1.00 C +ATOM 749 C TYR A 51 -16.524 11.982 -21.454 1.00 1.00 C +ATOM 750 O TYR A 51 -17.178 12.495 -20.547 1.00 1.00 O +ATOM 751 CB TYR A 51 -14.597 12.371 -22.982 1.00 1.00 C +ATOM 752 CG TYR A 51 -13.750 13.621 -23.227 1.00 1.00 C +ATOM 753 CD1 TYR A 51 -12.965 14.131 -22.212 1.00 1.00 C +ATOM 754 CD2 TYR A 51 -13.770 14.238 -24.461 1.00 1.00 C +ATOM 755 CE1 TYR A 51 -12.168 15.308 -22.442 1.00 1.00 C +ATOM 756 CE2 TYR A 51 -12.973 15.416 -24.690 1.00 1.00 C +ATOM 757 CZ TYR A 51 -12.211 15.893 -23.670 1.00 1.00 C +ATOM 758 OH TYR A 51 -11.458 17.004 -23.887 1.00 1.00 O +ATOM 759 H TYR A 51 -14.412 10.181 -21.658 1.00 1.00 H +ATOM 760 HA TYR A 51 -14.723 12.999 -20.869 1.00 1.00 H +ATOM 761 HB2 TYR A 51 -14.036 11.495 -23.313 1.00 1.00 H +ATOM 762 HB3 TYR A 51 -15.495 12.427 -23.598 1.00 1.00 H +ATOM 763 HD1 TYR A 51 -12.949 13.644 -21.238 1.00 1.00 H +ATOM 764 HD2 TYR A 51 -14.390 13.835 -25.262 1.00 1.00 H +ATOM 765 HE1 TYR A 51 -11.543 15.723 -21.650 1.00 1.00 H +ATOM 766 HE2 TYR A 51 -12.979 15.913 -25.660 1.00 1.00 H +ATOM 767 HH TYR A 51 -11.994 17.689 -24.381 1.00 1.00 H +ATOM 768 N GLU A 52 -17.039 11.240 -22.423 1.00 1.00 N +ATOM 769 CA GLU A 52 -18.466 10.974 -22.484 1.00 1.00 C +ATOM 770 C GLU A 52 -18.725 9.618 -23.145 1.00 1.00 C +ATOM 771 O GLU A 52 -18.690 9.502 -24.369 1.00 1.00 O +ATOM 772 CB GLU A 52 -19.202 12.094 -23.223 1.00 1.00 C +ATOM 773 CG GLU A 52 -20.093 12.889 -22.267 1.00 1.00 C +ATOM 774 CD GLU A 52 -21.437 12.188 -22.062 1.00 1.00 C +ATOM 775 OE1 GLU A 52 -21.407 11.027 -21.599 1.00 1.00 O +ATOM 776 OE2 GLU A 52 -22.465 12.828 -22.369 1.00 1.00 O +ATOM 777 H GLU A 52 -16.501 10.825 -23.157 1.00 1.00 H +ATOM 778 HA GLU A 52 -18.801 10.951 -21.447 1.00 1.00 H +ATOM 779 HB2 GLU A 52 -18.479 12.761 -23.692 1.00 1.00 H +ATOM 780 HB3 GLU A 52 -19.808 11.669 -24.024 1.00 1.00 H +ATOM 781 HG2 GLU A 52 -19.590 13.007 -21.309 1.00 1.00 H +ATOM 782 HG3 GLU A 52 -20.259 13.890 -22.667 1.00 1.00 H +ATOM 783 N GLY A 53 -18.981 8.627 -22.305 1.00 1.00 N +ATOM 784 CA GLY A 53 -19.247 7.283 -22.792 1.00 1.00 C +ATOM 785 C GLY A 53 -18.005 6.687 -23.459 1.00 1.00 C +ATOM 786 O GLY A 53 -18.101 5.702 -24.190 1.00 1.00 O +ATOM 787 H GLY A 53 -19.008 8.728 -21.310 1.00 1.00 H +ATOM 788 HA2 GLY A 53 -19.560 6.647 -21.963 1.00 1.00 H +ATOM 789 HA3 GLY A 53 -20.070 7.307 -23.504 1.00 1.00 H +ATOM 790 N ARG A 54 -16.869 7.306 -23.180 1.00 1.00 N +ATOM 791 CA ARG A 54 -15.608 6.849 -23.744 1.00 1.00 C +ATOM 792 C ARG A 54 -14.458 7.142 -22.779 1.00 1.00 C +ATOM 793 O ARG A 54 -14.252 8.289 -22.385 1.00 1.00 O +ATOM 794 CB ARG A 54 -15.326 7.527 -25.086 1.00 1.00 C +ATOM 795 CG ARG A 54 -15.740 6.629 -26.253 1.00 1.00 C +ATOM 796 CD ARG A 54 -14.800 5.427 -26.378 1.00 1.00 C +ATOM 797 NE ARG A 54 -14.960 4.794 -27.705 1.00 1.00 N +ATOM 798 CZ ARG A 54 -14.651 3.518 -27.972 1.00 1.00 C +ATOM 799 NH1 ARG A 54 -14.163 2.731 -27.004 1.00 1.00 N +ATOM 800 NH2 ARG A 54 -14.831 3.029 -29.207 1.00 1.00 N +ATOM 801 H ARG A 54 -16.798 8.106 -22.584 1.00 1.00 H +ATOM 802 HA ARG A 54 -15.739 5.775 -23.884 1.00 1.00 H +ATOM 803 HB2 ARG A 54 -15.868 8.472 -25.140 1.00 1.00 H +ATOM 804 HB3 ARG A 54 -14.266 7.764 -25.161 1.00 1.00 H +ATOM 805 HG2 ARG A 54 -16.761 6.282 -26.105 1.00 1.00 H +ATOM 806 HG3 ARG A 54 -15.726 7.202 -27.179 1.00 1.00 H +ATOM 807 HD2 ARG A 54 -13.767 5.746 -26.240 1.00 1.00 H +ATOM 808 HD3 ARG A 54 -15.016 4.703 -25.592 1.00 1.00 H +ATOM 809 HE ARG A 54 -15.324 5.354 -28.450 1.00 1.00 H +ATOM 810 HH11 ARG A 54 -14.028 3.096 -26.083 1.00 1.00 H +ATOM 811 HH12 ARG A 54 -13.931 1.779 -27.203 1.00 1.00 H +ATOM 812 HH21 ARG A 54 -15.196 3.617 -29.929 1.00 1.00 H +ATOM 813 HH22 ARG A 54 -14.600 2.077 -29.405 1.00 1.00 H +ATOM 814 N VAL A 55 -13.739 6.086 -22.429 1.00 1.00 N +ATOM 815 CA VAL A 55 -12.614 6.216 -21.518 1.00 1.00 C +ATOM 816 C VAL A 55 -11.337 5.751 -22.222 1.00 1.00 C +ATOM 817 O VAL A 55 -11.276 4.634 -22.730 1.00 1.00 O +ATOM 818 CB VAL A 55 -12.896 5.449 -20.224 1.00 1.00 C +ATOM 819 CG1 VAL A 55 -12.815 3.939 -20.454 1.00 1.00 C +ATOM 820 CG2 VAL A 55 -11.945 5.886 -19.109 1.00 1.00 C +ATOM 821 H VAL A 55 -13.913 5.156 -22.753 1.00 1.00 H +ATOM 822 HA VAL A 55 -12.513 7.272 -21.269 1.00 1.00 H +ATOM 823 HB VAL A 55 -13.913 5.687 -19.910 1.00 1.00 H +ATOM 824 HG11 VAL A 55 -11.843 3.688 -20.879 1.00 1.00 H +ATOM 825 HG12 VAL A 55 -12.940 3.419 -19.504 1.00 1.00 H +ATOM 826 HG13 VAL A 55 -13.603 3.632 -21.142 1.00 1.00 H +ATOM 827 HG21 VAL A 55 -10.917 5.855 -19.474 1.00 1.00 H +ATOM 828 HG22 VAL A 55 -12.190 6.902 -18.799 1.00 1.00 H +ATOM 829 HG23 VAL A 55 -12.048 5.212 -18.259 1.00 1.00 H +ATOM 830 N TYR A 56 -10.349 6.635 -22.229 1.00 1.00 N +ATOM 831 CA TYR A 56 -9.078 6.330 -22.864 1.00 1.00 C +ATOM 832 C TYR A 56 -8.074 5.784 -21.844 1.00 1.00 C +ATOM 833 O TYR A 56 -8.107 6.160 -20.673 1.00 1.00 O +ATOM 834 CB TYR A 56 -8.553 7.656 -23.416 1.00 1.00 C +ATOM 835 CG TYR A 56 -9.442 8.274 -24.498 1.00 1.00 C +ATOM 836 CD1 TYR A 56 -10.549 9.016 -24.140 1.00 1.00 C +ATOM 837 CD2 TYR A 56 -9.136 8.089 -25.832 1.00 1.00 C +ATOM 838 CE1 TYR A 56 -11.385 9.597 -25.159 1.00 1.00 C +ATOM 839 CE2 TYR A 56 -9.973 8.670 -26.849 1.00 1.00 C +ATOM 840 CZ TYR A 56 -11.055 9.397 -26.462 1.00 1.00 C +ATOM 841 OH TYR A 56 -11.846 9.945 -27.423 1.00 1.00 O +ATOM 842 H TYR A 56 -10.408 7.544 -21.814 1.00 1.00 H +ATOM 843 HA TYR A 56 -9.256 5.574 -23.628 1.00 1.00 H +ATOM 844 HB2 TYR A 56 -8.451 8.366 -22.595 1.00 1.00 H +ATOM 845 HB3 TYR A 56 -7.556 7.499 -23.827 1.00 1.00 H +ATOM 846 HD1 TYR A 56 -10.790 9.163 -23.088 1.00 1.00 H +ATOM 847 HD2 TYR A 56 -8.262 7.502 -26.114 1.00 1.00 H +ATOM 848 HE1 TYR A 56 -12.262 10.186 -24.890 1.00 1.00 H +ATOM 849 HE2 TYR A 56 -9.742 8.531 -27.905 1.00 1.00 H +ATOM 850 HH TYR A 56 -11.280 10.321 -28.157 1.00 1.00 H +ATOM 851 N HIS A 57 -7.208 4.906 -22.327 1.00 1.00 N +ATOM 852 CA HIS A 57 -6.198 4.305 -21.473 1.00 1.00 C +ATOM 853 C HIS A 57 -4.808 4.590 -22.044 1.00 1.00 C +ATOM 854 O HIS A 57 -4.435 4.044 -23.081 1.00 1.00 O +ATOM 855 CB HIS A 57 -6.466 2.811 -21.284 1.00 1.00 C +ATOM 856 CG HIS A 57 -7.908 2.478 -20.985 1.00 1.00 C +ATOM 857 ND1 HIS A 57 -8.455 2.581 -19.717 1.00 1.00 N +ATOM 858 CD2 HIS A 57 -8.911 2.045 -21.803 1.00 1.00 C +ATOM 859 CE1 HIS A 57 -9.728 2.223 -19.781 1.00 1.00 C +ATOM 860 NE2 HIS A 57 -10.009 1.890 -21.073 1.00 1.00 N +ATOM 861 H HIS A 57 -7.189 4.606 -23.281 1.00 1.00 H +ATOM 862 HA HIS A 57 -6.286 4.784 -20.498 1.00 1.00 H +ATOM 863 HB2 HIS A 57 -6.161 2.279 -22.187 1.00 1.00 H +ATOM 864 HB3 HIS A 57 -5.842 2.440 -20.469 1.00 1.00 H +ATOM 865 HD1 HIS A 57 -7.969 2.876 -18.895 1.00 1.00 H +ATOM 866 HD2 HIS A 57 -8.824 1.858 -22.873 1.00 1.00 H +ATOM 867 HE1 HIS A 57 -10.430 2.198 -18.946 1.00 1.00 H +ATOM 868 N TYR A 58 -4.079 5.446 -21.343 1.00 1.00 N +ATOM 869 CA TYR A 58 -2.738 5.810 -21.765 1.00 1.00 C +ATOM 870 C TYR A 58 -1.715 5.511 -20.667 1.00 1.00 C +ATOM 871 O TYR A 58 -1.621 6.246 -19.687 1.00 1.00 O +ATOM 872 CB TYR A 58 -2.771 7.319 -22.019 1.00 1.00 C +ATOM 873 CG TYR A 58 -2.338 7.723 -23.429 1.00 1.00 C +ATOM 874 CD1 TYR A 58 -3.057 7.286 -24.524 1.00 1.00 C +ATOM 875 CD2 TYR A 58 -1.229 8.525 -23.608 1.00 1.00 C +ATOM 876 CE1 TYR A 58 -2.650 7.667 -25.851 1.00 1.00 C +ATOM 877 CE2 TYR A 58 -0.822 8.905 -24.935 1.00 1.00 C +ATOM 878 CZ TYR A 58 -1.552 8.457 -25.992 1.00 1.00 C +ATOM 879 OH TYR A 58 -1.167 8.818 -27.245 1.00 1.00 O +ATOM 880 H TYR A 58 -4.391 5.886 -20.500 1.00 1.00 H +ATOM 881 HA TYR A 58 -2.492 5.221 -22.650 1.00 1.00 H +ATOM 882 HB2 TYR A 58 -3.782 7.684 -21.841 1.00 1.00 H +ATOM 883 HB3 TYR A 58 -2.122 7.812 -21.296 1.00 1.00 H +ATOM 884 HD1 TYR A 58 -3.934 6.654 -24.382 1.00 1.00 H +ATOM 885 HD2 TYR A 58 -0.661 8.869 -22.744 1.00 1.00 H +ATOM 886 HE1 TYR A 58 -3.209 7.330 -26.723 1.00 1.00 H +ATOM 887 HE2 TYR A 58 0.053 9.538 -25.091 1.00 1.00 H +ATOM 888 HH TYR A 58 -0.372 9.421 -27.200 1.00 1.00 H +ATOM 889 N ARG A 59 -0.975 4.429 -20.871 1.00 1.00 N +ATOM 890 CA ARG A 59 0.036 4.025 -19.910 1.00 1.00 C +ATOM 891 C ARG A 59 1.053 5.150 -19.702 1.00 1.00 C +ATOM 892 O ARG A 59 1.255 5.979 -20.589 1.00 1.00 O +ATOM 893 CB ARG A 59 0.767 2.765 -20.379 1.00 1.00 C +ATOM 894 CG ARG A 59 1.660 3.067 -21.584 1.00 1.00 C +ATOM 895 CD ARG A 59 1.659 1.899 -22.572 1.00 1.00 C +ATOM 896 NE ARG A 59 3.045 1.583 -22.985 1.00 1.00 N +ATOM 897 CZ ARG A 59 3.624 0.386 -22.819 1.00 1.00 C +ATOM 898 NH1 ARG A 59 2.940 -0.616 -22.247 1.00 1.00 N +ATOM 899 NH2 ARG A 59 4.887 0.191 -23.223 1.00 1.00 N +ATOM 900 H ARG A 59 -1.060 3.838 -21.671 1.00 1.00 H +ATOM 901 HA ARG A 59 -0.516 3.822 -18.991 1.00 1.00 H +ATOM 902 HB2 ARG A 59 1.373 2.368 -19.564 1.00 1.00 H +ATOM 903 HB3 ARG A 59 0.042 1.996 -20.641 1.00 1.00 H +ATOM 904 HG2 ARG A 59 1.310 3.971 -22.084 1.00 1.00 H +ATOM 905 HG3 ARG A 59 2.678 3.262 -21.248 1.00 1.00 H +ATOM 906 HD2 ARG A 59 1.199 1.023 -22.113 1.00 1.00 H +ATOM 907 HD3 ARG A 59 1.059 2.152 -23.447 1.00 1.00 H +ATOM 908 HE ARG A 59 3.582 2.308 -23.414 1.00 1.00 H +ATOM 909 HH11 ARG A 59 1.998 -0.469 -21.945 1.00 1.00 H +ATOM 910 HH12 ARG A 59 3.372 -1.508 -22.124 1.00 1.00 H +ATOM 911 HH21 ARG A 59 5.396 0.938 -23.649 1.00 1.00 H +ATOM 912 HH22 ARG A 59 5.319 -0.703 -23.099 1.00 1.00 H +ATOM 913 N ILE A 60 1.665 5.142 -18.528 1.00 1.00 N +ATOM 914 CA ILE A 60 2.655 6.152 -18.193 1.00 1.00 C +ATOM 915 C ILE A 60 3.968 5.829 -18.909 1.00 1.00 C +ATOM 916 O ILE A 60 4.369 4.668 -18.984 1.00 1.00 O +ATOM 917 CB ILE A 60 2.799 6.279 -16.676 1.00 1.00 C +ATOM 918 CG1 ILE A 60 1.434 6.190 -15.988 1.00 1.00 C +ATOM 919 CG2 ILE A 60 3.546 7.561 -16.302 1.00 1.00 C +ATOM 920 CD1 ILE A 60 0.988 7.561 -15.475 1.00 1.00 C +ATOM 921 H ILE A 60 1.495 4.464 -17.812 1.00 1.00 H +ATOM 922 HA ILE A 60 2.286 7.107 -18.565 1.00 1.00 H +ATOM 923 HB ILE A 60 3.396 5.442 -16.317 1.00 1.00 H +ATOM 924 HG12 ILE A 60 0.695 5.801 -16.687 1.00 1.00 H +ATOM 925 HG13 ILE A 60 1.488 5.488 -15.156 1.00 1.00 H +ATOM 926 HG21 ILE A 60 4.530 7.557 -16.769 1.00 1.00 H +ATOM 927 HG22 ILE A 60 2.982 8.427 -16.652 1.00 1.00 H +ATOM 928 HG23 ILE A 60 3.657 7.615 -15.219 1.00 1.00 H +ATOM 929 HD11 ILE A 60 1.750 7.967 -14.810 1.00 1.00 H +ATOM 930 HD12 ILE A 60 0.846 8.236 -16.320 1.00 1.00 H +ATOM 931 HD13 ILE A 60 0.048 7.458 -14.932 1.00 1.00 H +ATOM 932 N ASN A 61 4.602 6.875 -19.417 1.00 1.00 N +ATOM 933 CA ASN A 61 5.860 6.718 -20.124 1.00 1.00 C +ATOM 934 C ASN A 61 7.015 7.099 -19.195 1.00 1.00 C +ATOM 935 O ASN A 61 6.925 8.081 -18.458 1.00 1.00 O +ATOM 936 CB ASN A 61 5.922 7.629 -21.351 1.00 1.00 C +ATOM 937 CG ASN A 61 4.580 7.648 -22.088 1.00 1.00 C +ATOM 938 OD1 ASN A 61 3.894 6.646 -22.207 1.00 1.00 O +ATOM 939 ND2 ASN A 61 4.245 8.840 -22.572 1.00 1.00 N +ATOM 940 H ASN A 61 4.269 7.816 -19.352 1.00 1.00 H +ATOM 941 HA ASN A 61 5.893 5.669 -20.420 1.00 1.00 H +ATOM 942 HB2 ASN A 61 6.186 8.641 -21.045 1.00 1.00 H +ATOM 943 HB3 ASN A 61 6.705 7.284 -22.026 1.00 1.00 H +ATOM 944 HD21 ASN A 61 4.854 9.623 -22.438 1.00 1.00 H +ATOM 945 HD22 ASN A 61 3.386 8.955 -23.069 1.00 1.00 H +ATOM 946 N THR A 62 8.072 6.303 -19.258 1.00 1.00 N +ATOM 947 CA THR A 62 9.242 6.546 -18.431 1.00 1.00 C +ATOM 948 C THR A 62 10.425 6.988 -19.295 1.00 1.00 C +ATOM 949 O THR A 62 10.559 6.552 -20.438 1.00 1.00 O +ATOM 950 CB THR A 62 9.520 5.277 -17.623 1.00 1.00 C +ATOM 951 OG1 THR A 62 8.329 5.078 -16.865 1.00 1.00 O +ATOM 952 CG2 THR A 62 10.605 5.483 -16.564 1.00 1.00 C +ATOM 953 H THR A 62 8.137 5.506 -19.859 1.00 1.00 H +ATOM 954 HA THR A 62 9.016 7.368 -17.751 1.00 1.00 H +ATOM 955 HB THR A 62 9.772 4.445 -18.280 1.00 1.00 H +ATOM 956 HG1 THR A 62 7.704 5.846 -17.004 1.00 1.00 H +ATOM 957 HG21 THR A 62 11.138 6.412 -16.767 1.00 1.00 H +ATOM 958 HG22 THR A 62 10.144 5.538 -15.577 1.00 1.00 H +ATOM 959 HG23 THR A 62 11.305 4.648 -16.591 1.00 1.00 H +ATOM 960 N ALA A 63 11.250 7.848 -18.717 1.00 1.00 N +ATOM 961 CA ALA A 63 12.416 8.353 -19.421 1.00 1.00 C +ATOM 962 C ALA A 63 13.417 7.215 -19.623 1.00 1.00 C +ATOM 963 O ALA A 63 13.729 6.851 -20.757 1.00 1.00 O +ATOM 964 CB ALA A 63 13.015 9.525 -18.639 1.00 1.00 C +ATOM 965 H ALA A 63 11.132 8.198 -17.788 1.00 1.00 H +ATOM 966 HA ALA A 63 12.086 8.714 -20.396 1.00 1.00 H +ATOM 967 HB1 ALA A 63 12.610 9.532 -17.628 1.00 1.00 H +ATOM 968 HB2 ALA A 63 14.098 9.416 -18.596 1.00 1.00 H +ATOM 969 HB3 ALA A 63 12.764 10.461 -19.138 1.00 1.00 H +ATOM 970 N SER A 64 13.894 6.683 -18.507 1.00 1.00 N +ATOM 971 CA SER A 64 14.854 5.593 -18.550 1.00 1.00 C +ATOM 972 C SER A 64 15.313 5.245 -17.130 1.00 1.00 C +ATOM 973 O SER A 64 15.470 4.073 -16.797 1.00 1.00 O +ATOM 974 CB SER A 64 16.059 5.952 -19.421 1.00 1.00 C +ATOM 975 OG SER A 64 16.572 7.246 -19.117 1.00 1.00 O +ATOM 976 H SER A 64 13.637 6.984 -17.590 1.00 1.00 H +ATOM 977 HA SER A 64 14.319 4.755 -18.994 1.00 1.00 H +ATOM 978 HB2 SER A 64 16.842 5.209 -19.281 1.00 1.00 H +ATOM 979 HB3 SER A 64 15.768 5.915 -20.471 1.00 1.00 H +ATOM 980 HG SER A 64 17.496 7.343 -19.488 1.00 1.00 H +ATOM 981 N ASP A 65 15.511 6.286 -16.335 1.00 1.00 N +ATOM 982 CA ASP A 65 15.947 6.105 -14.961 1.00 1.00 C +ATOM 983 C ASP A 65 14.812 5.476 -14.150 1.00 1.00 C +ATOM 984 O ASP A 65 15.031 4.515 -13.414 1.00 1.00 O +ATOM 985 CB ASP A 65 16.304 7.445 -14.315 1.00 1.00 C +ATOM 986 CG ASP A 65 15.530 8.649 -14.854 1.00 1.00 C +ATOM 987 OD1 ASP A 65 14.427 8.418 -15.396 1.00 1.00 O +ATOM 988 OD2 ASP A 65 16.056 9.773 -14.712 1.00 1.00 O +ATOM 989 H ASP A 65 15.379 7.237 -16.615 1.00 1.00 H +ATOM 990 HA ASP A 65 16.824 5.460 -15.022 1.00 1.00 H +ATOM 991 HB2 ASP A 65 16.131 7.372 -13.242 1.00 1.00 H +ATOM 992 HB3 ASP A 65 17.369 7.627 -14.454 1.00 1.00 H +ATOM 993 N GLY A 66 13.626 6.044 -14.310 1.00 1.00 N +ATOM 994 CA GLY A 66 12.459 5.551 -13.602 1.00 1.00 C +ATOM 995 C GLY A 66 11.369 6.623 -13.528 1.00 1.00 C +ATOM 996 O GLY A 66 10.190 6.306 -13.375 1.00 1.00 O +ATOM 997 H GLY A 66 13.458 6.826 -14.912 1.00 1.00 H +ATOM 998 HA2 GLY A 66 12.068 4.666 -14.107 1.00 1.00 H +ATOM 999 HA3 GLY A 66 12.742 5.245 -12.595 1.00 1.00 H +ATOM 1000 N LYS A 67 11.803 7.870 -13.639 1.00 1.00 N +ATOM 1001 CA LYS A 67 10.879 8.991 -13.586 1.00 1.00 C +ATOM 1002 C LYS A 67 9.799 8.807 -14.654 1.00 1.00 C +ATOM 1003 O LYS A 67 10.034 8.166 -15.677 1.00 1.00 O +ATOM 1004 CB LYS A 67 11.637 10.316 -13.701 1.00 1.00 C +ATOM 1005 CG LYS A 67 13.027 10.207 -13.069 1.00 1.00 C +ATOM 1006 CD LYS A 67 13.684 11.585 -12.952 1.00 1.00 C +ATOM 1007 CE LYS A 67 14.330 11.769 -11.579 1.00 1.00 C +ATOM 1008 NZ LYS A 67 14.328 13.196 -11.191 1.00 1.00 N +ATOM 1009 H LYS A 67 12.763 8.119 -13.763 1.00 1.00 H +ATOM 1010 HA LYS A 67 10.403 8.977 -12.606 1.00 1.00 H +ATOM 1011 HB2 LYS A 67 11.731 10.595 -14.750 1.00 1.00 H +ATOM 1012 HB3 LYS A 67 11.071 11.106 -13.209 1.00 1.00 H +ATOM 1013 HG2 LYS A 67 12.947 9.753 -12.082 1.00 1.00 H +ATOM 1014 HG3 LYS A 67 13.655 9.552 -13.673 1.00 1.00 H +ATOM 1015 HD2 LYS A 67 14.438 11.700 -13.732 1.00 1.00 H +ATOM 1016 HD3 LYS A 67 12.938 12.362 -13.113 1.00 1.00 H +ATOM 1017 HE2 LYS A 67 13.791 11.182 -10.834 1.00 1.00 H +ATOM 1018 HE3 LYS A 67 15.354 11.394 -11.598 1.00 1.00 H +ATOM 1019 HZ1 LYS A 67 14.493 13.761 -11.998 1.00 1.00 H +ATOM 1020 HZ2 LYS A 67 13.441 13.432 -10.796 1.00 1.00 H +ATOM 1021 HZ3 LYS A 67 15.048 13.360 -10.515 1.00 1.00 H +ATOM 1022 N LEU A 68 8.637 9.380 -14.378 1.00 1.00 N +ATOM 1023 CA LEU A 68 7.519 9.287 -15.302 1.00 1.00 C +ATOM 1024 C LEU A 68 7.370 10.613 -16.051 1.00 1.00 C +ATOM 1025 O LEU A 68 7.074 11.643 -15.446 1.00 1.00 O +ATOM 1026 CB LEU A 68 6.250 8.851 -14.567 1.00 1.00 C +ATOM 1027 CG LEU A 68 6.321 7.500 -13.851 1.00 1.00 C +ATOM 1028 CD1 LEU A 68 7.404 7.508 -12.771 1.00 1.00 C +ATOM 1029 CD2 LEU A 68 4.955 7.105 -13.289 1.00 1.00 C +ATOM 1030 H LEU A 68 8.453 9.900 -13.544 1.00 1.00 H +ATOM 1031 HA LEU A 68 7.758 8.507 -16.025 1.00 1.00 H +ATOM 1032 HB2 LEU A 68 5.999 9.616 -13.832 1.00 1.00 H +ATOM 1033 HB3 LEU A 68 5.432 8.817 -15.284 1.00 1.00 H +ATOM 1034 HG LEU A 68 6.601 6.741 -14.581 1.00 1.00 H +ATOM 1035 HD11 LEU A 68 7.344 8.437 -12.202 1.00 1.00 H +ATOM 1036 HD12 LEU A 68 7.255 6.661 -12.101 1.00 1.00 H +ATOM 1037 HD13 LEU A 68 8.385 7.432 -13.239 1.00 1.00 H +ATOM 1038 HD21 LEU A 68 4.273 7.951 -13.364 1.00 1.00 H +ATOM 1039 HD22 LEU A 68 4.555 6.265 -13.859 1.00 1.00 H +ATOM 1040 HD23 LEU A 68 5.061 6.816 -12.244 1.00 1.00 H +ATOM 1041 N TYR A 69 7.583 10.545 -17.356 1.00 1.00 N +ATOM 1042 CA TYR A 69 7.475 11.728 -18.195 1.00 1.00 C +ATOM 1043 C TYR A 69 6.657 11.435 -19.454 1.00 1.00 C +ATOM 1044 O TYR A 69 7.104 10.698 -20.331 1.00 1.00 O +ATOM 1045 CB TYR A 69 8.906 12.087 -18.602 1.00 1.00 C +ATOM 1046 CG TYR A 69 9.353 11.458 -19.923 1.00 1.00 C +ATOM 1047 CD1 TYR A 69 9.517 10.091 -20.016 1.00 1.00 C +ATOM 1048 CD2 TYR A 69 9.593 12.258 -21.022 1.00 1.00 C +ATOM 1049 CE1 TYR A 69 9.938 9.499 -21.259 1.00 1.00 C +ATOM 1050 CE2 TYR A 69 10.014 11.665 -22.265 1.00 1.00 C +ATOM 1051 CZ TYR A 69 10.166 10.316 -22.323 1.00 1.00 C +ATOM 1052 OH TYR A 69 10.563 9.756 -23.496 1.00 1.00 O +ATOM 1053 H TYR A 69 7.823 9.704 -17.842 1.00 1.00 H +ATOM 1054 HA TYR A 69 6.975 12.505 -17.617 1.00 1.00 H +ATOM 1055 HB2 TYR A 69 8.990 13.171 -18.682 1.00 1.00 H +ATOM 1056 HB3 TYR A 69 9.588 11.772 -17.812 1.00 1.00 H +ATOM 1057 HD1 TYR A 69 9.328 9.459 -19.149 1.00 1.00 H +ATOM 1058 HD2 TYR A 69 9.463 13.338 -20.948 1.00 1.00 H +ATOM 1059 HE1 TYR A 69 10.071 8.420 -21.346 1.00 1.00 H +ATOM 1060 HE2 TYR A 69 10.207 12.286 -23.141 1.00 1.00 H +ATOM 1061 HH TYR A 69 9.771 9.401 -23.992 1.00 1.00 H +ATOM 1062 N VAL A 70 5.474 12.029 -19.503 1.00 1.00 N +ATOM 1063 CA VAL A 70 4.590 11.842 -20.641 1.00 1.00 C +ATOM 1064 C VAL A 70 5.127 12.634 -21.835 1.00 1.00 C +ATOM 1065 O VAL A 70 4.715 12.405 -22.972 1.00 1.00 O +ATOM 1066 CB VAL A 70 3.160 12.230 -20.260 1.00 1.00 C +ATOM 1067 CG1 VAL A 70 2.159 11.728 -21.305 1.00 1.00 C +ATOM 1068 CG2 VAL A 70 2.803 11.712 -18.866 1.00 1.00 C +ATOM 1069 H VAL A 70 5.119 12.628 -18.786 1.00 1.00 H +ATOM 1070 HA VAL A 70 4.596 10.781 -20.891 1.00 1.00 H +ATOM 1071 HB VAL A 70 3.102 13.318 -20.239 1.00 1.00 H +ATOM 1072 HG11 VAL A 70 2.600 11.810 -22.299 1.00 1.00 H +ATOM 1073 HG12 VAL A 70 1.915 10.687 -21.100 1.00 1.00 H +ATOM 1074 HG13 VAL A 70 1.252 12.330 -21.259 1.00 1.00 H +ATOM 1075 HG21 VAL A 70 3.395 10.824 -18.645 1.00 1.00 H +ATOM 1076 HG22 VAL A 70 3.015 12.485 -18.127 1.00 1.00 H +ATOM 1077 HG23 VAL A 70 1.743 11.459 -18.833 1.00 1.00 H +ATOM 1078 N SER A 71 6.039 13.546 -21.537 1.00 1.00 N +ATOM 1079 CA SER A 71 6.637 14.373 -22.571 1.00 1.00 C +ATOM 1080 C SER A 71 8.059 14.770 -22.168 1.00 1.00 C +ATOM 1081 O SER A 71 8.296 15.172 -21.030 1.00 1.00 O +ATOM 1082 CB SER A 71 5.793 15.622 -22.837 1.00 1.00 C +ATOM 1083 OG SER A 71 6.241 16.336 -23.985 1.00 1.00 O +ATOM 1084 H SER A 71 6.369 13.726 -20.610 1.00 1.00 H +ATOM 1085 HA SER A 71 6.653 13.750 -23.466 1.00 1.00 H +ATOM 1086 HB2 SER A 71 4.751 15.331 -22.975 1.00 1.00 H +ATOM 1087 HB3 SER A 71 5.829 16.275 -21.965 1.00 1.00 H +ATOM 1088 HG SER A 71 5.976 17.298 -23.914 1.00 1.00 H +ATOM 1089 N SER A 72 8.968 14.642 -23.124 1.00 1.00 N +ATOM 1090 CA SER A 72 10.361 14.982 -22.882 1.00 1.00 C +ATOM 1091 C SER A 72 10.468 16.429 -22.392 1.00 1.00 C +ATOM 1092 O SER A 72 11.533 16.861 -21.955 1.00 1.00 O +ATOM 1093 CB SER A 72 11.202 14.785 -24.145 1.00 1.00 C +ATOM 1094 OG SER A 72 12.184 13.767 -23.976 1.00 1.00 O +ATOM 1095 H SER A 72 8.767 14.315 -24.047 1.00 1.00 H +ATOM 1096 HA SER A 72 10.696 14.292 -22.110 1.00 1.00 H +ATOM 1097 HB2 SER A 72 10.550 14.525 -24.978 1.00 1.00 H +ATOM 1098 HB3 SER A 72 11.692 15.724 -24.404 1.00 1.00 H +ATOM 1099 HG SER A 72 13.064 14.078 -24.336 1.00 1.00 H +ATOM 1100 N GLU A 73 9.351 17.136 -22.484 1.00 1.00 N +ATOM 1101 CA GLU A 73 9.307 18.523 -22.056 1.00 1.00 C +ATOM 1102 C GLU A 73 8.896 18.612 -20.584 1.00 1.00 C +ATOM 1103 O GLU A 73 9.200 19.595 -19.910 1.00 1.00 O +ATOM 1104 CB GLU A 73 8.362 19.339 -22.939 1.00 1.00 C +ATOM 1105 CG GLU A 73 8.268 18.739 -24.344 1.00 1.00 C +ATOM 1106 CD GLU A 73 7.287 19.529 -25.213 1.00 1.00 C +ATOM 1107 OE1 GLU A 73 7.443 20.768 -25.263 1.00 1.00 O +ATOM 1108 OE2 GLU A 73 6.404 18.875 -25.810 1.00 1.00 O +ATOM 1109 H GLU A 73 8.490 16.775 -22.841 1.00 1.00 H +ATOM 1110 HA GLU A 73 10.323 18.897 -22.180 1.00 1.00 H +ATOM 1111 HB2 GLU A 73 7.371 19.370 -22.487 1.00 1.00 H +ATOM 1112 HB3 GLU A 73 8.714 20.369 -23.004 1.00 1.00 H +ATOM 1113 HG2 GLU A 73 9.253 18.738 -24.810 1.00 1.00 H +ATOM 1114 HG3 GLU A 73 7.945 17.700 -24.278 1.00 1.00 H +ATOM 1115 N SER A 74 8.213 17.573 -20.130 1.00 1.00 N +ATOM 1116 CA SER A 74 7.758 17.521 -18.751 1.00 1.00 C +ATOM 1117 C SER A 74 7.978 16.119 -18.179 1.00 1.00 C +ATOM 1118 O SER A 74 7.452 15.139 -18.707 1.00 1.00 O +ATOM 1119 CB SER A 74 6.282 17.911 -18.644 1.00 1.00 C +ATOM 1120 OG SER A 74 5.939 18.956 -19.549 1.00 1.00 O +ATOM 1121 H SER A 74 7.970 16.776 -20.686 1.00 1.00 H +ATOM 1122 HA SER A 74 8.366 18.251 -18.219 1.00 1.00 H +ATOM 1123 HB2 SER A 74 5.660 17.038 -18.843 1.00 1.00 H +ATOM 1124 HB3 SER A 74 6.065 18.229 -17.624 1.00 1.00 H +ATOM 1125 HG SER A 74 4.958 19.146 -19.498 1.00 1.00 H +ATOM 1126 N ARG A 75 8.757 16.067 -17.108 1.00 1.00 N +ATOM 1127 CA ARG A 75 9.054 14.801 -16.459 1.00 1.00 C +ATOM 1128 C ARG A 75 8.653 14.856 -14.984 1.00 1.00 C +ATOM 1129 O ARG A 75 8.798 15.891 -14.336 1.00 1.00 O +ATOM 1130 CB ARG A 75 10.541 14.463 -16.566 1.00 1.00 C +ATOM 1131 CG ARG A 75 11.271 15.474 -17.454 1.00 1.00 C +ATOM 1132 CD ARG A 75 12.532 14.859 -18.062 1.00 1.00 C +ATOM 1133 NE ARG A 75 13.734 15.545 -17.538 1.00 1.00 N +ATOM 1134 CZ ARG A 75 13.997 16.847 -17.723 1.00 1.00 C +ATOM 1135 NH1 ARG A 75 13.143 17.609 -18.420 1.00 1.00 N +ATOM 1136 NH2 ARG A 75 15.112 17.384 -17.212 1.00 1.00 N +ATOM 1137 H ARG A 75 9.180 16.868 -16.686 1.00 1.00 H +ATOM 1138 HA ARG A 75 8.459 14.066 -17.000 1.00 1.00 H +ATOM 1139 HB2 ARG A 75 10.988 14.457 -15.572 1.00 1.00 H +ATOM 1140 HB3 ARG A 75 10.663 13.461 -16.976 1.00 1.00 H +ATOM 1141 HG2 ARG A 75 10.606 15.812 -18.248 1.00 1.00 H +ATOM 1142 HG3 ARG A 75 11.539 16.353 -16.866 1.00 1.00 H +ATOM 1143 HD2 ARG A 75 12.579 13.796 -17.826 1.00 1.00 H +ATOM 1144 HD3 ARG A 75 12.500 14.943 -19.148 1.00 1.00 H +ATOM 1145 HE ARG A 75 14.392 15.005 -17.014 1.00 1.00 H +ATOM 1146 HH11 ARG A 75 12.311 17.209 -18.801 1.00 1.00 H +ATOM 1147 HH12 ARG A 75 13.339 18.581 -18.556 1.00 1.00 H +ATOM 1148 HH21 ARG A 75 15.749 16.816 -16.692 1.00 1.00 H +ATOM 1149 HH22 ARG A 75 15.308 18.355 -17.349 1.00 1.00 H +ATOM 1150 N PHE A 76 8.160 13.727 -14.495 1.00 1.00 N +ATOM 1151 CA PHE A 76 7.737 13.633 -13.108 1.00 1.00 C +ATOM 1152 C PHE A 76 8.181 12.305 -12.489 1.00 1.00 C +ATOM 1153 O PHE A 76 8.719 11.443 -13.182 1.00 1.00 O +ATOM 1154 CB PHE A 76 6.210 13.700 -13.098 1.00 1.00 C +ATOM 1155 CG PHE A 76 5.639 14.956 -13.761 1.00 1.00 C +ATOM 1156 CD1 PHE A 76 5.557 16.118 -13.058 1.00 1.00 C +ATOM 1157 CD2 PHE A 76 5.214 14.911 -15.052 1.00 1.00 C +ATOM 1158 CE1 PHE A 76 5.027 17.284 -13.672 1.00 1.00 C +ATOM 1159 CE2 PHE A 76 4.684 16.076 -15.667 1.00 1.00 C +ATOM 1160 CZ PHE A 76 4.601 17.238 -14.965 1.00 1.00 C +ATOM 1161 H PHE A 76 8.046 12.890 -15.029 1.00 1.00 H +ATOM 1162 HA PHE A 76 8.208 14.457 -12.572 1.00 1.00 H +ATOM 1163 HB2 PHE A 76 5.813 12.822 -13.609 1.00 1.00 H +ATOM 1164 HB3 PHE A 76 5.861 13.656 -12.067 1.00 1.00 H +ATOM 1165 HD1 PHE A 76 5.897 16.154 -12.023 1.00 1.00 H +ATOM 1166 HD2 PHE A 76 5.281 13.981 -15.615 1.00 1.00 H +ATOM 1167 HE1 PHE A 76 4.960 18.214 -13.110 1.00 1.00 H +ATOM 1168 HE2 PHE A 76 4.344 16.040 -16.701 1.00 1.00 H +ATOM 1169 HZ PHE A 76 4.194 18.132 -15.436 1.00 1.00 H +ATOM 1170 N ASN A 77 7.939 12.184 -11.192 1.00 1.00 N +ATOM 1171 CA ASN A 77 8.307 10.977 -10.473 1.00 1.00 C +ATOM 1172 C ASN A 77 7.051 10.345 -9.869 1.00 1.00 C +ATOM 1173 O ASN A 77 6.936 9.123 -9.803 1.00 1.00 O +ATOM 1174 CB ASN A 77 9.275 11.290 -9.329 1.00 1.00 C +ATOM 1175 CG ASN A 77 10.727 11.103 -9.775 1.00 1.00 C +ATOM 1176 OD1 ASN A 77 11.124 10.060 -10.266 1.00 1.00 O +ATOM 1177 ND2 ASN A 77 11.495 12.171 -9.576 1.00 1.00 N +ATOM 1178 H ASN A 77 7.502 12.891 -10.636 1.00 1.00 H +ATOM 1179 HA ASN A 77 8.781 10.334 -11.215 1.00 1.00 H +ATOM 1180 HB2 ASN A 77 9.123 12.314 -8.990 1.00 1.00 H +ATOM 1181 HB3 ASN A 77 9.064 10.638 -8.481 1.00 1.00 H +ATOM 1182 HD21 ASN A 77 11.106 12.997 -9.168 1.00 1.00 H +ATOM 1183 HD22 ASN A 77 12.461 12.148 -9.835 1.00 1.00 H +ATOM 1184 N THR A 78 6.140 11.208 -9.443 1.00 1.00 N +ATOM 1185 CA THR A 78 4.896 10.751 -8.846 1.00 1.00 C +ATOM 1186 C THR A 78 3.711 11.115 -9.741 1.00 1.00 C +ATOM 1187 O THR A 78 3.575 12.264 -10.160 1.00 1.00 O +ATOM 1188 CB THR A 78 4.801 11.344 -7.439 1.00 1.00 C +ATOM 1189 OG1 THR A 78 5.088 10.246 -6.579 1.00 1.00 O +ATOM 1190 CG2 THR A 78 3.371 11.744 -7.068 1.00 1.00 C +ATOM 1191 H THR A 78 6.241 12.202 -9.500 1.00 1.00 H +ATOM 1192 HA THR A 78 4.926 9.664 -8.781 1.00 1.00 H +ATOM 1193 HB THR A 78 5.483 12.187 -7.324 1.00 1.00 H +ATOM 1194 HG1 THR A 78 4.314 9.613 -6.559 1.00 1.00 H +ATOM 1195 HG21 THR A 78 2.975 12.420 -7.824 1.00 1.00 H +ATOM 1196 HG22 THR A 78 2.747 10.852 -7.015 1.00 1.00 H +ATOM 1197 HG23 THR A 78 3.373 12.243 -6.099 1.00 1.00 H +ATOM 1198 N LEU A 79 2.881 10.117 -10.006 1.00 1.00 N +ATOM 1199 CA LEU A 79 1.711 10.317 -10.843 1.00 1.00 C +ATOM 1200 C LEU A 79 1.006 11.609 -10.425 1.00 1.00 C +ATOM 1201 O LEU A 79 0.444 12.313 -11.264 1.00 1.00 O +ATOM 1202 CB LEU A 79 0.806 9.084 -10.805 1.00 1.00 C +ATOM 1203 CG LEU A 79 0.525 8.417 -12.153 1.00 1.00 C +ATOM 1204 CD1 LEU A 79 1.121 7.008 -12.204 1.00 1.00 C +ATOM 1205 CD2 LEU A 79 -0.974 8.417 -12.462 1.00 1.00 C +ATOM 1206 H LEU A 79 2.999 9.186 -9.660 1.00 1.00 H +ATOM 1207 HA LEU A 79 2.060 10.430 -11.871 1.00 1.00 H +ATOM 1208 HB2 LEU A 79 1.262 8.345 -10.145 1.00 1.00 H +ATOM 1209 HB3 LEU A 79 -0.144 9.369 -10.358 1.00 1.00 H +ATOM 1210 HG LEU A 79 1.014 9.001 -12.933 1.00 1.00 H +ATOM 1211 HD11 LEU A 79 1.892 6.913 -11.441 1.00 1.00 H +ATOM 1212 HD12 LEU A 79 0.335 6.275 -12.019 1.00 1.00 H +ATOM 1213 HD13 LEU A 79 1.557 6.834 -13.187 1.00 1.00 H +ATOM 1214 HD21 LEU A 79 -1.383 9.410 -12.278 1.00 1.00 H +ATOM 1215 HD22 LEU A 79 -1.129 8.147 -13.506 1.00 1.00 H +ATOM 1216 HD23 LEU A 79 -1.477 7.692 -11.821 1.00 1.00 H +ATOM 1217 N ALA A 80 1.058 11.882 -9.130 1.00 1.00 N +ATOM 1218 CA ALA A 80 0.432 13.077 -8.591 1.00 1.00 C +ATOM 1219 C ALA A 80 0.920 14.300 -9.372 1.00 1.00 C +ATOM 1220 O ALA A 80 0.197 14.832 -10.212 1.00 1.00 O +ATOM 1221 CB ALA A 80 0.735 13.182 -7.095 1.00 1.00 C +ATOM 1222 H ALA A 80 1.518 11.305 -8.455 1.00 1.00 H +ATOM 1223 HA ALA A 80 -0.644 12.977 -8.725 1.00 1.00 H +ATOM 1224 HB1 ALA A 80 1.093 12.220 -6.728 1.00 1.00 H +ATOM 1225 HB2 ALA A 80 1.500 13.940 -6.932 1.00 1.00 H +ATOM 1226 HB3 ALA A 80 -0.173 13.460 -6.558 1.00 1.00 H +ATOM 1227 N GLU A 81 2.142 14.709 -9.066 1.00 1.00 N +ATOM 1228 CA GLU A 81 2.734 15.859 -9.727 1.00 1.00 C +ATOM 1229 C GLU A 81 2.479 15.793 -11.234 1.00 1.00 C +ATOM 1230 O GLU A 81 2.310 16.825 -11.884 1.00 1.00 O +ATOM 1231 CB GLU A 81 4.232 15.952 -9.429 1.00 1.00 C +ATOM 1232 CG GLU A 81 4.571 17.271 -8.734 1.00 1.00 C +ATOM 1233 CD GLU A 81 4.172 17.233 -7.257 1.00 1.00 C +ATOM 1234 OE1 GLU A 81 4.438 16.188 -6.624 1.00 1.00 O +ATOM 1235 OE2 GLU A 81 3.609 18.247 -6.795 1.00 1.00 O +ATOM 1236 H GLU A 81 2.723 14.271 -8.380 1.00 1.00 H +ATOM 1237 HA GLU A 81 2.231 16.728 -9.304 1.00 1.00 H +ATOM 1238 HB2 GLU A 81 4.533 15.115 -8.797 1.00 1.00 H +ATOM 1239 HB3 GLU A 81 4.798 15.870 -10.358 1.00 1.00 H +ATOM 1240 HG2 GLU A 81 5.640 17.468 -8.819 1.00 1.00 H +ATOM 1241 HG3 GLU A 81 4.056 18.092 -9.232 1.00 1.00 H +ATOM 1242 N LEU A 82 2.456 14.571 -11.746 1.00 1.00 N +ATOM 1243 CA LEU A 82 2.224 14.358 -13.164 1.00 1.00 C +ATOM 1244 C LEU A 82 0.827 14.865 -13.529 1.00 1.00 C +ATOM 1245 O LEU A 82 0.659 15.571 -14.524 1.00 1.00 O +ATOM 1246 CB LEU A 82 2.460 12.892 -13.531 1.00 1.00 C +ATOM 1247 CG LEU A 82 2.241 12.525 -15.001 1.00 1.00 C +ATOM 1248 CD1 LEU A 82 3.400 11.679 -15.533 1.00 1.00 C +ATOM 1249 CD2 LEU A 82 0.889 11.835 -15.198 1.00 1.00 C +ATOM 1250 H LEU A 82 2.592 13.738 -11.210 1.00 1.00 H +ATOM 1251 HA LEU A 82 2.959 14.949 -13.708 1.00 1.00 H +ATOM 1252 HB2 LEU A 82 3.483 12.631 -13.261 1.00 1.00 H +ATOM 1253 HB3 LEU A 82 1.802 12.274 -12.921 1.00 1.00 H +ATOM 1254 HG LEU A 82 2.220 13.446 -15.584 1.00 1.00 H +ATOM 1255 HD11 LEU A 82 3.775 11.035 -14.737 1.00 1.00 H +ATOM 1256 HD12 LEU A 82 3.050 11.064 -16.363 1.00 1.00 H +ATOM 1257 HD13 LEU A 82 4.199 12.334 -15.877 1.00 1.00 H +ATOM 1258 HD21 LEU A 82 0.737 11.103 -14.404 1.00 1.00 H +ATOM 1259 HD22 LEU A 82 0.093 12.579 -15.165 1.00 1.00 H +ATOM 1260 HD23 LEU A 82 0.876 11.331 -16.165 1.00 1.00 H +ATOM 1261 N VAL A 83 -0.140 14.488 -12.706 1.00 1.00 N +ATOM 1262 CA VAL A 83 -1.516 14.896 -12.929 1.00 1.00 C +ATOM 1263 C VAL A 83 -1.637 16.406 -12.716 1.00 1.00 C +ATOM 1264 O VAL A 83 -2.268 17.101 -13.510 1.00 1.00 O +ATOM 1265 CB VAL A 83 -2.454 14.087 -12.031 1.00 1.00 C +ATOM 1266 CG1 VAL A 83 -3.662 14.925 -11.605 1.00 1.00 C +ATOM 1267 CG2 VAL A 83 -2.898 12.797 -12.722 1.00 1.00 C +ATOM 1268 H VAL A 83 0.005 13.915 -11.898 1.00 1.00 H +ATOM 1269 HA VAL A 83 -1.762 14.668 -13.967 1.00 1.00 H +ATOM 1270 HB VAL A 83 -1.903 13.814 -11.132 1.00 1.00 H +ATOM 1271 HG11 VAL A 83 -3.317 15.837 -11.119 1.00 1.00 H +ATOM 1272 HG12 VAL A 83 -4.253 15.184 -12.484 1.00 1.00 H +ATOM 1273 HG13 VAL A 83 -4.276 14.352 -10.911 1.00 1.00 H +ATOM 1274 HG21 VAL A 83 -2.880 12.938 -13.802 1.00 1.00 H +ATOM 1275 HG22 VAL A 83 -2.220 11.988 -12.449 1.00 1.00 H +ATOM 1276 HG23 VAL A 83 -3.910 12.544 -12.405 1.00 1.00 H +ATOM 1277 N HIS A 84 -1.021 16.870 -11.638 1.00 1.00 N +ATOM 1278 CA HIS A 84 -1.051 18.285 -11.310 1.00 1.00 C +ATOM 1279 C HIS A 84 -0.779 19.111 -12.568 1.00 1.00 C +ATOM 1280 O HIS A 84 -1.580 19.967 -12.940 1.00 1.00 O +ATOM 1281 CB HIS A 84 -0.078 18.600 -10.172 1.00 1.00 C +ATOM 1282 CG HIS A 84 -0.751 18.975 -8.873 1.00 1.00 C +ATOM 1283 ND1 HIS A 84 -2.038 18.578 -8.554 1.00 1.00 N +ATOM 1284 CD2 HIS A 84 -0.303 19.714 -7.818 1.00 1.00 C +ATOM 1285 CE1 HIS A 84 -2.340 19.063 -7.358 1.00 1.00 C +ATOM 1286 NE2 HIS A 84 -1.263 19.766 -6.904 1.00 1.00 N +ATOM 1287 H HIS A 84 -0.509 16.298 -10.997 1.00 1.00 H +ATOM 1288 HA HIS A 84 -2.059 18.501 -10.954 1.00 1.00 H +ATOM 1289 HB2 HIS A 84 0.560 17.731 -10.002 1.00 1.00 H +ATOM 1290 HB3 HIS A 84 0.573 19.417 -10.482 1.00 1.00 H +ATOM 1291 HD1 HIS A 84 -2.638 18.021 -9.128 1.00 1.00 H +ATOM 1292 HD2 HIS A 84 0.679 20.181 -7.739 1.00 1.00 H +ATOM 1293 HE1 HIS A 84 -3.283 18.922 -6.831 1.00 1.00 H +ATOM 1294 N HIS A 85 0.354 18.823 -13.192 1.00 1.00 N +ATOM 1295 CA HIS A 85 0.743 19.528 -14.402 1.00 1.00 C +ATOM 1296 C HIS A 85 -0.196 19.141 -15.545 1.00 1.00 C +ATOM 1297 O HIS A 85 -0.599 19.990 -16.339 1.00 1.00 O +ATOM 1298 CB HIS A 85 2.215 19.272 -14.731 1.00 1.00 C +ATOM 1299 CG HIS A 85 2.637 19.778 -16.090 1.00 1.00 C +ATOM 1300 ND1 HIS A 85 2.553 21.111 -16.454 1.00 1.00 N +ATOM 1301 CD2 HIS A 85 3.147 19.117 -17.168 1.00 1.00 C +ATOM 1302 CE1 HIS A 85 2.995 21.233 -17.696 1.00 1.00 C +ATOM 1303 NE2 HIS A 85 3.362 19.997 -18.138 1.00 1.00 N +ATOM 1304 H HIS A 85 1.000 18.126 -12.883 1.00 1.00 H +ATOM 1305 HA HIS A 85 0.628 20.592 -14.194 1.00 1.00 H +ATOM 1306 HB2 HIS A 85 2.834 19.747 -13.970 1.00 1.00 H +ATOM 1307 HB3 HIS A 85 2.408 18.202 -14.676 1.00 1.00 H +ATOM 1308 HD1 HIS A 85 2.216 21.855 -15.876 1.00 1.00 H +ATOM 1309 HD2 HIS A 85 3.345 18.046 -17.223 1.00 1.00 H +ATOM 1310 HE1 HIS A 85 3.054 22.160 -18.267 1.00 1.00 H +ATOM 1311 N HIS A 86 -0.518 17.856 -15.594 1.00 1.00 N +ATOM 1312 CA HIS A 86 -1.402 17.344 -16.628 1.00 1.00 C +ATOM 1313 C HIS A 86 -2.849 17.711 -16.293 1.00 1.00 C +ATOM 1314 O HIS A 86 -3.784 17.128 -16.839 1.00 1.00 O +ATOM 1315 CB HIS A 86 -1.201 15.840 -16.819 1.00 1.00 C +ATOM 1316 CG HIS A 86 0.119 15.473 -17.453 1.00 1.00 C +ATOM 1317 ND1 HIS A 86 0.872 16.370 -18.192 1.00 1.00 N +ATOM 1318 CD2 HIS A 86 0.812 14.298 -17.452 1.00 1.00 C +ATOM 1319 CE1 HIS A 86 1.967 15.752 -18.610 1.00 1.00 C +ATOM 1320 NE2 HIS A 86 1.928 14.468 -18.151 1.00 1.00 N +ATOM 1321 H HIS A 86 -0.185 17.171 -14.946 1.00 1.00 H +ATOM 1322 HA HIS A 86 -1.116 17.839 -17.557 1.00 1.00 H +ATOM 1323 HB2 HIS A 86 -1.277 15.348 -15.850 1.00 1.00 H +ATOM 1324 HB3 HIS A 86 -2.010 15.451 -17.438 1.00 1.00 H +ATOM 1325 HD1 HIS A 86 0.631 17.322 -18.376 1.00 1.00 H +ATOM 1326 HD2 HIS A 86 0.502 13.375 -16.960 1.00 1.00 H +ATOM 1327 HE1 HIS A 86 2.759 16.192 -19.215 1.00 1.00 H +ATOM 1328 N SER A 87 -2.989 18.677 -15.397 1.00 1.00 N +ATOM 1329 CA SER A 87 -4.306 19.128 -14.982 1.00 1.00 C +ATOM 1330 C SER A 87 -4.649 20.449 -15.675 1.00 1.00 C +ATOM 1331 O SER A 87 -5.819 20.743 -15.913 1.00 1.00 O +ATOM 1332 CB SER A 87 -4.379 19.291 -13.462 1.00 1.00 C +ATOM 1333 OG SER A 87 -4.340 20.662 -13.071 1.00 1.00 O +ATOM 1334 H SER A 87 -2.223 19.146 -14.956 1.00 1.00 H +ATOM 1335 HA SER A 87 -4.992 18.343 -15.296 1.00 1.00 H +ATOM 1336 HB2 SER A 87 -5.298 18.836 -13.092 1.00 1.00 H +ATOM 1337 HB3 SER A 87 -3.550 18.759 -12.999 1.00 1.00 H +ATOM 1338 HG SER A 87 -3.404 21.008 -13.133 1.00 1.00 H +ATOM 1339 N THR A 88 -3.606 21.208 -15.979 1.00 1.00 N +ATOM 1340 CA THR A 88 -3.782 22.490 -16.640 1.00 1.00 C +ATOM 1341 C THR A 88 -2.942 22.550 -17.917 1.00 1.00 C +ATOM 1342 O THR A 88 -3.280 23.274 -18.854 1.00 1.00 O +ATOM 1343 CB THR A 88 -3.439 23.591 -15.635 1.00 1.00 C +ATOM 1344 OG1 THR A 88 -2.136 23.248 -15.174 1.00 1.00 O +ATOM 1345 CG2 THR A 88 -4.309 23.528 -14.377 1.00 1.00 C +ATOM 1346 H THR A 88 -2.658 20.961 -15.782 1.00 1.00 H +ATOM 1347 HA THR A 88 -4.825 22.582 -16.939 1.00 1.00 H +ATOM 1348 HB THR A 88 -3.500 24.576 -16.100 1.00 1.00 H +ATOM 1349 HG1 THR A 88 -1.926 23.752 -14.336 1.00 1.00 H +ATOM 1350 HG21 THR A 88 -4.650 22.504 -14.222 1.00 1.00 H +ATOM 1351 HG22 THR A 88 -3.725 23.849 -13.515 1.00 1.00 H +ATOM 1352 HG23 THR A 88 -5.170 24.184 -14.498 1.00 1.00 H +ATOM 1353 N VAL A 89 -1.863 21.783 -17.915 1.00 1.00 N +ATOM 1354 CA VAL A 89 -0.972 21.740 -19.063 1.00 1.00 C +ATOM 1355 C VAL A 89 -0.596 20.287 -19.356 1.00 1.00 C +ATOM 1356 O VAL A 89 0.439 19.805 -18.898 1.00 1.00 O +ATOM 1357 CB VAL A 89 0.244 22.634 -18.813 1.00 1.00 C +ATOM 1358 CG1 VAL A 89 1.313 22.416 -19.885 1.00 1.00 C +ATOM 1359 CG2 VAL A 89 -0.164 24.107 -18.739 1.00 1.00 C +ATOM 1360 H VAL A 89 -1.594 21.198 -17.150 1.00 1.00 H +ATOM 1361 HA VAL A 89 -1.518 22.141 -19.916 1.00 1.00 H +ATOM 1362 HB VAL A 89 0.673 22.356 -17.850 1.00 1.00 H +ATOM 1363 HG11 VAL A 89 0.861 22.504 -20.874 1.00 1.00 H +ATOM 1364 HG12 VAL A 89 2.098 23.165 -19.775 1.00 1.00 H +ATOM 1365 HG13 VAL A 89 1.744 21.420 -19.771 1.00 1.00 H +ATOM 1366 HG21 VAL A 89 -1.225 24.203 -18.973 1.00 1.00 H +ATOM 1367 HG22 VAL A 89 0.022 24.485 -17.734 1.00 1.00 H +ATOM 1368 HG23 VAL A 89 0.419 24.682 -19.458 1.00 1.00 H +ATOM 1369 N ALA A 90 -1.457 19.628 -20.119 1.00 1.00 N +ATOM 1370 CA ALA A 90 -1.227 18.239 -20.480 1.00 1.00 C +ATOM 1371 C ALA A 90 -0.132 18.168 -21.544 1.00 1.00 C +ATOM 1372 O ALA A 90 -0.343 18.575 -22.686 1.00 1.00 O +ATOM 1373 CB ALA A 90 -2.540 17.611 -20.950 1.00 1.00 C +ATOM 1374 H ALA A 90 -2.297 20.028 -20.488 1.00 1.00 H +ATOM 1375 HA ALA A 90 -0.887 17.716 -19.586 1.00 1.00 H +ATOM 1376 HB1 ALA A 90 -3.280 18.394 -21.113 1.00 1.00 H +ATOM 1377 HB2 ALA A 90 -2.371 17.072 -21.882 1.00 1.00 H +ATOM 1378 HB3 ALA A 90 -2.905 16.918 -20.192 1.00 1.00 H +ATOM 1379 N ASP A 91 1.016 17.648 -21.134 1.00 1.00 N +ATOM 1380 CA ASP A 91 2.146 17.517 -22.039 1.00 1.00 C +ATOM 1381 C ASP A 91 1.942 16.289 -22.928 1.00 1.00 C +ATOM 1382 O ASP A 91 2.534 16.191 -24.002 1.00 1.00 O +ATOM 1383 CB ASP A 91 3.452 17.332 -21.266 1.00 1.00 C +ATOM 1384 CG ASP A 91 3.819 15.879 -20.955 1.00 1.00 C +ATOM 1385 OD1 ASP A 91 3.158 14.991 -21.536 1.00 1.00 O +ATOM 1386 OD2 ASP A 91 4.751 15.690 -20.146 1.00 1.00 O +ATOM 1387 H ASP A 91 1.180 17.320 -20.204 1.00 1.00 H +ATOM 1388 HA ASP A 91 2.163 18.445 -22.610 1.00 1.00 H +ATOM 1389 HB2 ASP A 91 4.263 17.781 -21.840 1.00 1.00 H +ATOM 1390 HB3 ASP A 91 3.383 17.881 -20.327 1.00 1.00 H +ATOM 1391 N GLY A 92 1.104 15.383 -22.447 1.00 1.00 N +ATOM 1392 CA GLY A 92 0.817 14.164 -23.184 1.00 1.00 C +ATOM 1393 C GLY A 92 -0.621 13.700 -22.937 1.00 1.00 C +ATOM 1394 O GLY A 92 -1.272 13.177 -23.841 1.00 1.00 O +ATOM 1395 H GLY A 92 0.628 15.470 -21.571 1.00 1.00 H +ATOM 1396 HA2 GLY A 92 0.969 14.334 -24.249 1.00 1.00 H +ATOM 1397 HA3 GLY A 92 1.512 13.380 -22.883 1.00 1.00 H +ATOM 1398 N LEU A 93 -1.075 13.910 -21.710 1.00 1.00 N +ATOM 1399 CA LEU A 93 -2.422 13.521 -21.333 1.00 1.00 C +ATOM 1400 C LEU A 93 -3.426 14.238 -22.238 1.00 1.00 C +ATOM 1401 O LEU A 93 -3.391 15.461 -22.366 1.00 1.00 O +ATOM 1402 CB LEU A 93 -2.654 13.767 -19.841 1.00 1.00 C +ATOM 1403 CG LEU A 93 -1.760 12.976 -18.885 1.00 1.00 C +ATOM 1404 CD1 LEU A 93 -2.245 13.112 -17.441 1.00 1.00 C +ATOM 1405 CD2 LEU A 93 -1.654 11.512 -19.317 1.00 1.00 C +ATOM 1406 H LEU A 93 -0.538 14.336 -20.981 1.00 1.00 H +ATOM 1407 HA LEU A 93 -2.511 12.448 -21.501 1.00 1.00 H +ATOM 1408 HB2 LEU A 93 -2.515 14.830 -19.643 1.00 1.00 H +ATOM 1409 HB3 LEU A 93 -3.694 13.533 -19.613 1.00 1.00 H +ATOM 1410 HG LEU A 93 -0.756 13.397 -18.928 1.00 1.00 H +ATOM 1411 HD11 LEU A 93 -3.135 13.741 -17.415 1.00 1.00 H +ATOM 1412 HD12 LEU A 93 -2.485 12.127 -17.042 1.00 1.00 H +ATOM 1413 HD13 LEU A 93 -1.461 13.567 -16.835 1.00 1.00 H +ATOM 1414 HD21 LEU A 93 -2.510 11.255 -19.940 1.00 1.00 H +ATOM 1415 HD22 LEU A 93 -0.734 11.366 -19.884 1.00 1.00 H +ATOM 1416 HD23 LEU A 93 -1.641 10.871 -18.435 1.00 1.00 H +ATOM 1417 N ILE A 94 -4.300 13.446 -22.844 1.00 1.00 N +ATOM 1418 CA ILE A 94 -5.312 13.989 -23.733 1.00 1.00 C +ATOM 1419 C ILE A 94 -5.935 15.231 -23.091 1.00 1.00 C +ATOM 1420 O ILE A 94 -5.487 16.351 -23.334 1.00 1.00 O +ATOM 1421 CB ILE A 94 -6.333 12.911 -24.106 1.00 1.00 C +ATOM 1422 CG1 ILE A 94 -6.823 12.169 -22.862 1.00 1.00 C +ATOM 1423 CG2 ILE A 94 -5.763 11.957 -25.156 1.00 1.00 C +ATOM 1424 CD1 ILE A 94 -8.352 12.147 -22.802 1.00 1.00 C +ATOM 1425 H ILE A 94 -4.322 12.451 -22.736 1.00 1.00 H +ATOM 1426 HA ILE A 94 -4.811 14.291 -24.654 1.00 1.00 H +ATOM 1427 HB ILE A 94 -7.199 13.401 -24.551 1.00 1.00 H +ATOM 1428 HG12 ILE A 94 -6.442 11.148 -22.869 1.00 1.00 H +ATOM 1429 HG13 ILE A 94 -6.429 12.650 -21.967 1.00 1.00 H +ATOM 1430 HG21 ILE A 94 -5.498 12.519 -26.053 1.00 1.00 H +ATOM 1431 HG22 ILE A 94 -4.875 11.467 -24.758 1.00 1.00 H +ATOM 1432 HG23 ILE A 94 -6.511 11.205 -25.406 1.00 1.00 H +ATOM 1433 HD11 ILE A 94 -8.734 13.163 -22.915 1.00 1.00 H +ATOM 1434 HD12 ILE A 94 -8.738 11.524 -23.608 1.00 1.00 H +ATOM 1435 HD13 ILE A 94 -8.674 11.743 -21.843 1.00 1.00 H +ATOM 1436 N THR A 95 -6.958 14.991 -22.284 1.00 1.00 N +ATOM 1437 CA THR A 95 -7.647 16.076 -21.605 1.00 1.00 C +ATOM 1438 C THR A 95 -6.828 16.559 -20.407 1.00 1.00 C +ATOM 1439 O THR A 95 -5.664 16.190 -20.256 1.00 1.00 O +ATOM 1440 CB THR A 95 -9.046 15.584 -21.229 1.00 1.00 C +ATOM 1441 OG1 THR A 95 -9.544 16.593 -20.354 1.00 1.00 O +ATOM 1442 CG2 THR A 95 -9.010 14.324 -20.361 1.00 1.00 C +ATOM 1443 H THR A 95 -7.316 14.076 -22.092 1.00 1.00 H +ATOM 1444 HA THR A 95 -7.730 16.915 -22.297 1.00 1.00 H +ATOM 1445 HB THR A 95 -9.656 15.428 -22.117 1.00 1.00 H +ATOM 1446 HG1 THR A 95 -10.070 16.174 -19.614 1.00 1.00 H +ATOM 1447 HG21 THR A 95 -8.062 14.278 -19.825 1.00 1.00 H +ATOM 1448 HG22 THR A 95 -9.831 14.352 -19.645 1.00 1.00 H +ATOM 1449 HG23 THR A 95 -9.110 13.443 -20.996 1.00 1.00 H +ATOM 1450 N THR A 96 -7.470 17.377 -19.586 1.00 1.00 N +ATOM 1451 CA THR A 96 -6.816 17.915 -18.404 1.00 1.00 C +ATOM 1452 C THR A 96 -7.607 17.555 -17.146 1.00 1.00 C +ATOM 1453 O THR A 96 -8.657 18.138 -16.881 1.00 1.00 O +ATOM 1454 CB THR A 96 -6.645 19.423 -18.604 1.00 1.00 C +ATOM 1455 OG1 THR A 96 -7.967 19.941 -18.480 1.00 1.00 O +ATOM 1456 CG2 THR A 96 -6.237 19.781 -20.035 1.00 1.00 C +ATOM 1457 H THR A 96 -8.416 17.672 -19.716 1.00 1.00 H +ATOM 1458 HA THR A 96 -5.836 17.448 -18.311 1.00 1.00 H +ATOM 1459 HB THR A 96 -5.939 19.833 -17.882 1.00 1.00 H +ATOM 1460 HG1 THR A 96 -7.962 20.929 -18.632 1.00 1.00 H +ATOM 1461 HG21 THR A 96 -6.577 19.002 -20.715 1.00 1.00 H +ATOM 1462 HG22 THR A 96 -6.690 20.732 -20.314 1.00 1.00 H +ATOM 1463 HG23 THR A 96 -5.152 19.866 -20.092 1.00 1.00 H +ATOM 1464 N LEU A 97 -7.074 16.596 -16.403 1.00 1.00 N +ATOM 1465 CA LEU A 97 -7.716 16.150 -15.179 1.00 1.00 C +ATOM 1466 C LEU A 97 -8.606 17.271 -14.639 1.00 1.00 C +ATOM 1467 O LEU A 97 -8.168 18.413 -14.517 1.00 1.00 O +ATOM 1468 CB LEU A 97 -6.674 15.655 -14.176 1.00 1.00 C +ATOM 1469 CG LEU A 97 -5.700 14.592 -14.688 1.00 1.00 C +ATOM 1470 CD1 LEU A 97 -4.302 15.177 -14.886 1.00 1.00 C +ATOM 1471 CD2 LEU A 97 -5.687 13.372 -13.764 1.00 1.00 C +ATOM 1472 H LEU A 97 -6.219 16.126 -16.628 1.00 1.00 H +ATOM 1473 HA LEU A 97 -8.348 15.299 -15.434 1.00 1.00 H +ATOM 1474 HB2 LEU A 97 -6.094 16.513 -13.832 1.00 1.00 H +ATOM 1475 HB3 LEU A 97 -7.196 15.255 -13.308 1.00 1.00 H +ATOM 1476 HG LEU A 97 -6.049 14.252 -15.663 1.00 1.00 H +ATOM 1477 HD11 LEU A 97 -4.320 16.244 -14.666 1.00 1.00 H +ATOM 1478 HD12 LEU A 97 -3.601 14.680 -14.214 1.00 1.00 H +ATOM 1479 HD13 LEU A 97 -3.987 15.024 -15.917 1.00 1.00 H +ATOM 1480 HD21 LEU A 97 -5.507 13.694 -12.739 1.00 1.00 H +ATOM 1481 HD22 LEU A 97 -6.649 12.861 -13.822 1.00 1.00 H +ATOM 1482 HD23 LEU A 97 -4.894 12.690 -14.074 1.00 1.00 H +ATOM 1483 N HIS A 98 -9.843 16.906 -14.332 1.00 1.00 N +ATOM 1484 CA HIS A 98 -10.799 17.866 -13.808 1.00 1.00 C +ATOM 1485 C HIS A 98 -11.074 17.565 -12.333 1.00 1.00 C +ATOM 1486 O HIS A 98 -10.443 18.143 -11.450 1.00 1.00 O +ATOM 1487 CB HIS A 98 -12.071 17.884 -14.658 1.00 1.00 C +ATOM 1488 CG HIS A 98 -13.096 18.898 -14.207 1.00 1.00 C +ATOM 1489 ND1 HIS A 98 -12.823 20.253 -14.122 1.00 1.00 N +ATOM 1490 CD2 HIS A 98 -14.393 18.742 -13.819 1.00 1.00 C +ATOM 1491 CE1 HIS A 98 -13.916 20.873 -13.700 1.00 1.00 C +ATOM 1492 NE2 HIS A 98 -14.887 19.935 -13.513 1.00 1.00 N +ATOM 1493 H HIS A 98 -10.193 15.974 -14.435 1.00 1.00 H +ATOM 1494 HA HIS A 98 -10.332 18.848 -13.888 1.00 1.00 H +ATOM 1495 HB2 HIS A 98 -11.802 18.091 -15.694 1.00 1.00 H +ATOM 1496 HB3 HIS A 98 -12.524 16.893 -14.637 1.00 1.00 H +ATOM 1497 HD1 HIS A 98 -11.951 20.688 -14.342 1.00 1.00 H +ATOM 1498 HD2 HIS A 98 -14.935 17.796 -13.769 1.00 1.00 H +ATOM 1499 HE1 HIS A 98 -14.018 21.945 -13.532 1.00 1.00 H +ATOM 1500 N TYR A 99 -12.017 16.661 -12.115 1.00 1.00 N +ATOM 1501 CA TYR A 99 -12.384 16.275 -10.762 1.00 1.00 C +ATOM 1502 C TYR A 99 -12.368 14.753 -10.603 1.00 1.00 C +ATOM 1503 O TYR A 99 -13.315 14.075 -10.996 1.00 1.00 O +ATOM 1504 CB TYR A 99 -13.811 16.783 -10.551 1.00 1.00 C +ATOM 1505 CG TYR A 99 -14.894 15.785 -10.963 1.00 1.00 C +ATOM 1506 CD1 TYR A 99 -15.039 15.432 -12.290 1.00 1.00 C +ATOM 1507 CD2 TYR A 99 -15.727 15.237 -10.009 1.00 1.00 C +ATOM 1508 CE1 TYR A 99 -16.059 14.494 -12.679 1.00 1.00 C +ATOM 1509 CE2 TYR A 99 -16.748 14.297 -10.398 1.00 1.00 C +ATOM 1510 CZ TYR A 99 -16.862 13.973 -11.713 1.00 1.00 C +ATOM 1511 OH TYR A 99 -17.825 13.085 -12.081 1.00 1.00 O +ATOM 1512 H TYR A 99 -12.526 16.196 -12.838 1.00 1.00 H +ATOM 1513 HA TYR A 99 -11.656 16.712 -10.079 1.00 1.00 H +ATOM 1514 HB2 TYR A 99 -13.944 17.035 -9.498 1.00 1.00 H +ATOM 1515 HB3 TYR A 99 -13.944 17.705 -11.118 1.00 1.00 H +ATOM 1516 HD1 TYR A 99 -14.380 15.866 -13.044 1.00 1.00 H +ATOM 1517 HD2 TYR A 99 -15.614 15.516 -8.962 1.00 1.00 H +ATOM 1518 HE1 TYR A 99 -16.184 14.207 -13.722 1.00 1.00 H +ATOM 1519 HE2 TYR A 99 -17.412 13.858 -9.655 1.00 1.00 H +ATOM 1520 HH TYR A 99 -18.069 12.505 -11.304 1.00 1.00 H +ATOM 1521 N PRO A 100 -11.253 14.249 -10.008 1.00 1.00 N +ATOM 1522 CA PRO A 100 -11.102 12.821 -9.791 1.00 1.00 C +ATOM 1523 C PRO A 100 -11.978 12.346 -8.630 1.00 1.00 C +ATOM 1524 O PRO A 100 -11.538 12.332 -7.481 1.00 1.00 O +ATOM 1525 CB PRO A 100 -9.617 12.616 -9.536 1.00 1.00 C +ATOM 1526 CG PRO A 100 -9.067 13.983 -9.160 1.00 1.00 C +ATOM 1527 CD PRO A 100 -10.112 15.024 -9.528 1.00 1.00 C +ATOM 1528 HA PRO A 100 -11.414 12.313 -10.593 1.00 1.00 H +ATOM 1529 HB2 PRO A 100 -9.454 11.895 -8.736 1.00 1.00 H +ATOM 1530 HB3 PRO A 100 -9.119 12.226 -10.423 1.00 1.00 H +ATOM 1531 HG2 PRO A 100 -8.844 14.024 -8.094 1.00 1.00 H +ATOM 1532 HG3 PRO A 100 -8.134 14.177 -9.687 1.00 1.00 H +ATOM 1533 HD2 PRO A 100 -10.383 15.635 -8.666 1.00 1.00 H +ATOM 1534 HD3 PRO A 100 -9.742 15.702 -10.296 1.00 1.00 H +ATOM 1535 N ALA A 101 -13.202 11.970 -8.969 1.00 1.00 N +ATOM 1536 CA ALA A 101 -14.145 11.496 -7.969 1.00 1.00 C +ATOM 1537 C ALA A 101 -13.453 10.468 -7.071 1.00 1.00 C +ATOM 1538 O ALA A 101 -12.754 9.581 -7.559 1.00 1.00 O +ATOM 1539 CB ALA A 101 -15.382 10.925 -8.663 1.00 1.00 C +ATOM 1540 H ALA A 101 -13.552 11.985 -9.905 1.00 1.00 H +ATOM 1541 HA ALA A 101 -14.444 12.352 -7.364 1.00 1.00 H +ATOM 1542 HB1 ALA A 101 -15.436 11.310 -9.683 1.00 1.00 H +ATOM 1543 HB2 ALA A 101 -15.316 9.837 -8.688 1.00 1.00 H +ATOM 1544 HB3 ALA A 101 -16.275 11.224 -8.115 1.00 1.00 H +ATOM 1545 N PRO A 102 -13.680 10.624 -5.739 1.00 1.00 N +ATOM 1546 CA PRO A 102 -13.087 9.719 -4.768 1.00 1.00 C +ATOM 1547 C PRO A 102 -13.806 8.370 -4.767 1.00 1.00 C +ATOM 1548 O PRO A 102 -14.963 8.277 -5.175 1.00 1.00 O +ATOM 1549 CB PRO A 102 -13.190 10.449 -3.439 1.00 1.00 C +ATOM 1550 CG PRO A 102 -14.247 11.524 -3.632 1.00 1.00 C +ATOM 1551 CD PRO A 102 -14.503 11.662 -5.123 1.00 1.00 C +ATOM 1552 HA PRO A 102 -12.137 9.523 -5.011 1.00 1.00 H +ATOM 1553 HB2 PRO A 102 -13.472 9.763 -2.638 1.00 1.00 H +ATOM 1554 HB3 PRO A 102 -12.233 10.887 -3.158 1.00 1.00 H +ATOM 1555 HG2 PRO A 102 -15.166 11.254 -3.110 1.00 1.00 H +ATOM 1556 HG3 PRO A 102 -13.909 12.471 -3.213 1.00 1.00 H +ATOM 1557 HD2 PRO A 102 -15.558 11.522 -5.360 1.00 1.00 H +ATOM 1558 HD3 PRO A 102 -14.224 12.652 -5.484 1.00 1.00 H +ATOM 1559 N LYS A 103 -13.091 7.355 -4.304 1.00 1.00 N +ATOM 1560 CA LYS A 103 -13.647 6.014 -4.243 1.00 1.00 C +ATOM 1561 C LYS A 103 -14.740 5.965 -3.175 1.00 1.00 C +ATOM 1562 O LYS A 103 -14.956 6.942 -2.458 1.00 1.00 O +ATOM 1563 CB LYS A 103 -12.535 4.982 -4.033 1.00 1.00 C +ATOM 1564 CG LYS A 103 -11.570 4.965 -5.219 1.00 1.00 C +ATOM 1565 CD LYS A 103 -10.483 6.030 -5.057 1.00 1.00 C +ATOM 1566 CE LYS A 103 -9.991 6.093 -3.610 1.00 1.00 C +ATOM 1567 NZ LYS A 103 -8.625 6.665 -3.552 1.00 1.00 N +ATOM 1568 H LYS A 103 -12.151 7.438 -3.972 1.00 1.00 H +ATOM 1569 HA LYS A 103 -14.100 5.804 -5.212 1.00 1.00 H +ATOM 1570 HB2 LYS A 103 -11.988 5.213 -3.117 1.00 1.00 H +ATOM 1571 HB3 LYS A 103 -12.973 3.993 -3.901 1.00 1.00 H +ATOM 1572 HG2 LYS A 103 -11.110 3.981 -5.305 1.00 1.00 H +ATOM 1573 HG3 LYS A 103 -12.120 5.142 -6.144 1.00 1.00 H +ATOM 1574 HD2 LYS A 103 -9.648 5.807 -5.720 1.00 1.00 H +ATOM 1575 HD3 LYS A 103 -10.874 7.003 -5.354 1.00 1.00 H +ATOM 1576 HE2 LYS A 103 -10.671 6.700 -3.014 1.00 1.00 H +ATOM 1577 HE3 LYS A 103 -9.990 5.093 -3.175 1.00 1.00 H +ATOM 1578 HZ1 LYS A 103 -8.432 7.152 -4.403 1.00 1.00 H +ATOM 1579 HZ2 LYS A 103 -8.564 7.301 -2.782 1.00 1.00 H +ATOM 1580 HZ3 LYS A 103 -7.960 5.928 -3.431 1.00 1.00 H +ATOM 1581 N ARG A 104 -15.402 4.821 -3.103 1.00 1.00 N +ATOM 1582 CA ARG A 104 -16.469 4.633 -2.134 1.00 1.00 C +ATOM 1583 C ARG A 104 -15.885 4.325 -0.754 1.00 1.00 C +ATOM 1584 O ARG A 104 -15.745 3.161 -0.381 1.00 1.00 O +ATOM 1585 CB ARG A 104 -17.399 3.493 -2.552 1.00 1.00 C +ATOM 1586 CG ARG A 104 -16.719 2.576 -3.570 1.00 1.00 C +ATOM 1587 CD ARG A 104 -17.545 1.310 -3.807 1.00 1.00 C +ATOM 1588 NE ARG A 104 -18.447 1.503 -4.964 1.00 1.00 N +ATOM 1589 CZ ARG A 104 -19.713 1.067 -5.011 1.00 1.00 C +ATOM 1590 NH1 ARG A 104 -20.234 0.410 -3.965 1.00 1.00 N +ATOM 1591 NH2 ARG A 104 -20.458 1.287 -6.102 1.00 1.00 N +ATOM 1592 H ARG A 104 -15.222 4.031 -3.689 1.00 1.00 H +ATOM 1593 HA ARG A 104 -17.010 5.580 -2.128 1.00 1.00 H +ATOM 1594 HB2 ARG A 104 -17.689 2.914 -1.675 1.00 1.00 H +ATOM 1595 HB3 ARG A 104 -18.314 3.903 -2.979 1.00 1.00 H +ATOM 1596 HG2 ARG A 104 -16.586 3.108 -4.513 1.00 1.00 H +ATOM 1597 HG3 ARG A 104 -15.725 2.306 -3.216 1.00 1.00 H +ATOM 1598 HD2 ARG A 104 -16.883 0.463 -3.988 1.00 1.00 H +ATOM 1599 HD3 ARG A 104 -18.127 1.074 -2.916 1.00 1.00 H +ATOM 1600 HE ARG A 104 -18.090 1.988 -5.762 1.00 1.00 H +ATOM 1601 HH11 ARG A 104 -19.678 0.247 -3.149 1.00 1.00 H +ATOM 1602 HH12 ARG A 104 -21.180 0.085 -3.999 1.00 1.00 H +ATOM 1603 HH21 ARG A 104 -20.070 1.776 -6.882 1.00 1.00 H +ATOM 1604 HH22 ARG A 104 -21.403 0.961 -6.136 1.00 1.00 H +ATOM 1605 N GLY A 105 -15.559 5.388 -0.033 1.00 1.00 N +ATOM 1606 CA GLY A 105 -14.992 5.246 1.298 1.00 1.00 C +ATOM 1607 C GLY A 105 -15.896 5.893 2.350 1.00 1.00 C +ATOM 1608 O GLY A 105 -15.576 6.954 2.880 1.00 1.00 O +ATOM 1609 H GLY A 105 -15.676 6.331 -0.344 1.00 1.00 H +ATOM 1610 HA2 GLY A 105 -14.857 4.190 1.528 1.00 1.00 H +ATOM 1611 HA3 GLY A 105 -14.006 5.708 1.327 1.00 1.00 H +ATOM 1612 N ILE A 106 -17.007 5.222 2.620 1.00 1.00 N +ATOM 1613 CA ILE A 106 -17.959 5.718 3.599 1.00 1.00 C +ATOM 1614 C ILE A 106 -18.064 4.718 4.754 1.00 1.00 C +ATOM 1615 O ILE A 106 -17.952 3.510 4.546 1.00 1.00 O +ATOM 1616 CB ILE A 106 -19.301 6.030 2.932 1.00 1.00 C +ATOM 1617 CG1 ILE A 106 -19.148 7.134 1.885 1.00 1.00 C +ATOM 1618 CG2 ILE A 106 -20.364 6.372 3.977 1.00 1.00 C +ATOM 1619 CD1 ILE A 106 -18.909 8.490 2.549 1.00 1.00 C +ATOM 1620 H ILE A 106 -17.260 4.358 2.184 1.00 1.00 H +ATOM 1621 HA ILE A 106 -17.567 6.657 3.990 1.00 1.00 H +ATOM 1622 HB ILE A 106 -19.639 5.135 2.410 1.00 1.00 H +ATOM 1623 HG12 ILE A 106 -18.316 6.897 1.221 1.00 1.00 H +ATOM 1624 HG13 ILE A 106 -20.045 7.180 1.267 1.00 1.00 H +ATOM 1625 HG21 ILE A 106 -20.435 5.563 4.704 1.00 1.00 H +ATOM 1626 HG22 ILE A 106 -20.090 7.296 4.486 1.00 1.00 H +ATOM 1627 HG23 ILE A 106 -21.329 6.502 3.485 1.00 1.00 H +ATOM 1628 HD11 ILE A 106 -18.024 8.433 3.183 1.00 1.00 H +ATOM 1629 HD12 ILE A 106 -18.757 9.249 1.782 1.00 1.00 H +ATOM 1630 HD13 ILE A 106 -19.774 8.756 3.156 1.00 1.00 H +ATOM 1631 N HIS A 107 -18.277 5.257 5.944 1.00 1.00 N +ATOM 1632 CA HIS A 107 -18.399 4.428 7.131 1.00 1.00 C +ATOM 1633 C HIS A 107 -18.896 5.276 8.302 1.00 1.00 C +ATOM 1634 O HIS A 107 -18.521 6.440 8.435 1.00 1.00 O +ATOM 1635 CB HIS A 107 -17.079 3.717 7.434 1.00 1.00 C +ATOM 1636 CG HIS A 107 -15.969 4.641 7.874 1.00 1.00 C +ATOM 1637 ND1 HIS A 107 -16.096 5.506 8.947 1.00 1.00 N +ATOM 1638 CD2 HIS A 107 -14.712 4.827 7.377 1.00 1.00 C +ATOM 1639 CE1 HIS A 107 -14.962 6.177 9.080 1.00 1.00 C +ATOM 1640 NE2 HIS A 107 -14.106 5.756 8.105 1.00 1.00 N +ATOM 1641 H HIS A 107 -18.368 6.239 6.104 1.00 1.00 H +ATOM 1642 HA HIS A 107 -19.143 3.664 6.904 1.00 1.00 H +ATOM 1643 HB2 HIS A 107 -17.248 2.972 8.212 1.00 1.00 H +ATOM 1644 HB3 HIS A 107 -16.755 3.177 6.543 1.00 1.00 H +ATOM 1645 HD1 HIS A 107 -16.906 5.607 9.524 1.00 1.00 H +ATOM 1646 HD2 HIS A 107 -14.280 4.301 6.525 1.00 1.00 H +ATOM 1647 HE1 HIS A 107 -14.750 6.934 9.836 1.00 1.00 H +ATOM 1648 N ARG A 108 -19.735 4.661 9.123 1.00 1.00 N +ATOM 1649 CA ARG A 108 -20.289 5.346 10.278 1.00 1.00 C +ATOM 1650 C ARG A 108 -20.433 4.376 11.452 1.00 1.00 C +ATOM 1651 O ARG A 108 -19.891 4.615 12.531 1.00 1.00 O +ATOM 1652 CB ARG A 108 -21.657 5.953 9.957 1.00 1.00 C +ATOM 1653 CG ARG A 108 -21.618 7.478 10.060 1.00 1.00 C +ATOM 1654 CD ARG A 108 -21.135 8.105 8.750 1.00 1.00 C +ATOM 1655 NE ARG A 108 -21.510 9.536 8.706 1.00 1.00 N +ATOM 1656 CZ ARG A 108 -20.699 10.536 9.075 1.00 1.00 C +ATOM 1657 NH1 ARG A 108 -19.463 10.269 9.520 1.00 1.00 N +ATOM 1658 NH2 ARG A 108 -21.124 11.806 9.002 1.00 1.00 N +ATOM 1659 H ARG A 108 -20.037 3.715 9.008 1.00 1.00 H +ATOM 1660 HA ARG A 108 -19.570 6.134 10.506 1.00 1.00 H +ATOM 1661 HB2 ARG A 108 -21.960 5.661 8.952 1.00 1.00 H +ATOM 1662 HB3 ARG A 108 -22.405 5.557 10.644 1.00 1.00 H +ATOM 1663 HG2 ARG A 108 -22.611 7.855 10.304 1.00 1.00 H +ATOM 1664 HG3 ARG A 108 -20.956 7.774 10.875 1.00 1.00 H +ATOM 1665 HD2 ARG A 108 -20.053 8.001 8.665 1.00 1.00 H +ATOM 1666 HD3 ARG A 108 -21.574 7.579 7.903 1.00 1.00 H +ATOM 1667 HE ARG A 108 -22.426 9.771 8.380 1.00 1.00 H +ATOM 1668 HH11 ARG A 108 -19.146 9.322 9.575 1.00 1.00 H +ATOM 1669 HH12 ARG A 108 -18.859 11.015 9.796 1.00 1.00 H +ATOM 1670 HH21 ARG A 108 -22.046 12.005 8.670 1.00 1.00 H +ATOM 1671 HH22 ARG A 108 -20.519 12.552 9.278 1.00 1.00 H +ATOM 1672 N ASP A 109 -21.166 3.301 11.203 1.00 1.00 N +ATOM 1673 CA ASP A 109 -21.388 2.292 12.226 1.00 1.00 C +ATOM 1674 C ASP A 109 -22.031 2.946 13.449 1.00 1.00 C +ATOM 1675 O ASP A 109 -22.563 2.186 14.287 1.00 1.00 O +ATOM 1676 CB ASP A 109 -20.068 1.657 12.668 1.00 1.00 C +ATOM 1677 CG ASP A 109 -20.194 0.612 13.778 1.00 1.00 C +ATOM 1678 OD1 ASP A 109 -20.330 1.091 14.968 1.00 1.00 O +ATOM 1679 OD2 ASP A 109 -20.163 -0.600 13.521 1.00 1.00 O +ATOM 1680 OXT ASP A 109 -22.016 4.168 13.585 1.00 1.00 O +ATOM 1681 H ASP A 109 -21.603 3.112 10.323 1.00 1.00 H +ATOM 1682 HA ASP A 109 -22.035 1.550 11.760 1.00 1.00 H +ATOM 1683 HB2 ASP A 109 -19.597 1.192 11.803 1.00 1.00 H +ATOM 1684 HB3 ASP A 109 -19.397 2.447 13.009 1.00 1.00 H +TER 1685 ASP A 109 +ENDMDL +MODEL 8 +ATOM 1 N GLY A 1 -5.177 4.140 5.300 1.00 1.00 N +ATOM 2 CA GLY A 1 -3.730 4.195 5.186 1.00 1.00 C +ATOM 3 C GLY A 1 -3.118 2.795 5.266 1.00 1.00 C +ATOM 4 O GLY A 1 -2.479 2.337 4.319 1.00 1.00 O +ATOM 5 H1 GLY A 1 -5.435 3.461 6.008 1.00 1.00 H +ATOM 6 H2 GLY A 1 -5.531 5.052 5.561 1.00 1.00 H +ATOM 7 H3 GLY A 1 -5.576 3.866 4.408 1.00 1.00 H +ATOM 8 HA2 GLY A 1 -3.453 4.663 4.243 1.00 1.00 H +ATOM 9 HA3 GLY A 1 -3.322 4.818 5.983 1.00 1.00 H +ATOM 10 N SER A 2 -3.336 2.152 6.403 1.00 1.00 N +ATOM 11 CA SER A 2 -2.816 0.813 6.619 1.00 1.00 C +ATOM 12 C SER A 2 -3.502 -0.173 5.671 1.00 1.00 C +ATOM 13 O SER A 2 -2.838 -0.845 4.882 1.00 1.00 O +ATOM 14 CB SER A 2 -3.008 0.375 8.072 1.00 1.00 C +ATOM 15 OG SER A 2 -4.371 0.460 8.480 1.00 1.00 O +ATOM 16 H SER A 2 -3.857 2.530 7.170 1.00 1.00 H +ATOM 17 HA SER A 2 -1.750 0.879 6.398 1.00 1.00 H +ATOM 18 HB2 SER A 2 -2.658 -0.652 8.191 1.00 1.00 H +ATOM 19 HB3 SER A 2 -2.396 0.998 8.724 1.00 1.00 H +ATOM 20 HG SER A 2 -4.593 1.401 8.734 1.00 1.00 H +ATOM 21 N GLY A 3 -4.820 -0.231 5.781 1.00 1.00 N +ATOM 22 CA GLY A 3 -5.603 -1.124 4.944 1.00 1.00 C +ATOM 23 C GLY A 3 -5.854 -0.507 3.567 1.00 1.00 C +ATOM 24 O GLY A 3 -6.979 -0.126 3.249 1.00 1.00 O +ATOM 25 H GLY A 3 -5.353 0.317 6.427 1.00 1.00 H +ATOM 26 HA2 GLY A 3 -5.079 -2.074 4.831 1.00 1.00 H +ATOM 27 HA3 GLY A 3 -6.555 -1.342 5.428 1.00 1.00 H +ATOM 28 N ASN A 4 -4.785 -0.426 2.788 1.00 1.00 N +ATOM 29 CA ASN A 4 -4.875 0.139 1.452 1.00 1.00 C +ATOM 30 C ASN A 4 -3.484 0.154 0.815 1.00 1.00 C +ATOM 31 O ASN A 4 -2.490 0.417 1.491 1.00 1.00 O +ATOM 32 CB ASN A 4 -5.390 1.579 1.496 1.00 1.00 C +ATOM 33 CG ASN A 4 -6.593 1.761 0.568 1.00 1.00 C +ATOM 34 OD1 ASN A 4 -6.466 2.129 -0.588 1.00 1.00 O +ATOM 35 ND2 ASN A 4 -7.761 1.482 1.137 1.00 1.00 N +ATOM 36 H ASN A 4 -3.873 -0.737 3.054 1.00 1.00 H +ATOM 37 HA ASN A 4 -5.574 -0.503 0.916 1.00 1.00 H +ATOM 38 HB2 ASN A 4 -5.671 1.837 2.517 1.00 1.00 H +ATOM 39 HB3 ASN A 4 -4.593 2.263 1.204 1.00 1.00 H +ATOM 40 HD21 ASN A 4 -7.795 1.183 2.091 1.00 1.00 H +ATOM 41 HD22 ASN A 4 -8.607 1.570 0.611 1.00 1.00 H +ATOM 42 N SER A 5 -3.457 -0.131 -0.478 1.00 1.00 N +ATOM 43 CA SER A 5 -2.205 -0.154 -1.215 1.00 1.00 C +ATOM 44 C SER A 5 -1.423 1.135 -0.955 1.00 1.00 C +ATOM 45 O SER A 5 -0.306 1.093 -0.440 1.00 1.00 O +ATOM 46 CB SER A 5 -2.450 -0.333 -2.714 1.00 1.00 C +ATOM 47 OG SER A 5 -3.245 -1.484 -2.991 1.00 1.00 O +ATOM 48 H SER A 5 -4.271 -0.345 -1.021 1.00 1.00 H +ATOM 49 HA SER A 5 -1.661 -1.017 -0.830 1.00 1.00 H +ATOM 50 HB2 SER A 5 -2.946 0.553 -3.108 1.00 1.00 H +ATOM 51 HB3 SER A 5 -1.495 -0.420 -3.230 1.00 1.00 H +ATOM 52 HG SER A 5 -3.169 -2.140 -2.241 1.00 1.00 H +ATOM 53 N LEU A 6 -2.039 2.248 -1.324 1.00 1.00 N +ATOM 54 CA LEU A 6 -1.414 3.546 -1.137 1.00 1.00 C +ATOM 55 C LEU A 6 -2.409 4.645 -1.515 1.00 1.00 C +ATOM 56 O LEU A 6 -2.648 4.892 -2.696 1.00 1.00 O +ATOM 57 CB LEU A 6 -0.093 3.621 -1.907 1.00 1.00 C +ATOM 58 CG LEU A 6 0.857 4.749 -1.501 1.00 1.00 C +ATOM 59 CD1 LEU A 6 2.159 4.187 -0.926 1.00 1.00 C +ATOM 60 CD2 LEU A 6 1.111 5.700 -2.671 1.00 1.00 C +ATOM 61 H LEU A 6 -2.947 2.272 -1.741 1.00 1.00 H +ATOM 62 HA LEU A 6 -1.176 3.645 -0.079 1.00 1.00 H +ATOM 63 HB2 LEU A 6 0.429 2.671 -1.787 1.00 1.00 H +ATOM 64 HB3 LEU A 6 -0.320 3.728 -2.967 1.00 1.00 H +ATOM 65 HG LEU A 6 0.381 5.329 -0.711 1.00 1.00 H +ATOM 66 HD11 LEU A 6 2.384 3.232 -1.400 1.00 1.00 H +ATOM 67 HD12 LEU A 6 2.972 4.889 -1.115 1.00 1.00 H +ATOM 68 HD13 LEU A 6 2.048 4.042 0.150 1.00 1.00 H +ATOM 69 HD21 LEU A 6 0.293 5.621 -3.387 1.00 1.00 H +ATOM 70 HD22 LEU A 6 1.172 6.725 -2.301 1.00 1.00 H +ATOM 71 HD23 LEU A 6 2.049 5.434 -3.159 1.00 1.00 H +ATOM 72 N GLU A 7 -2.963 5.275 -0.489 1.00 1.00 N +ATOM 73 CA GLU A 7 -3.926 6.342 -0.698 1.00 1.00 C +ATOM 74 C GLU A 7 -3.212 7.629 -1.120 1.00 1.00 C +ATOM 75 O GLU A 7 -3.188 8.603 -0.370 1.00 1.00 O +ATOM 76 CB GLU A 7 -4.772 6.571 0.556 1.00 1.00 C +ATOM 77 CG GLU A 7 -6.241 6.235 0.295 1.00 1.00 C +ATOM 78 CD GLU A 7 -7.101 6.542 1.522 1.00 1.00 C +ATOM 79 OE1 GLU A 7 -7.427 7.712 1.774 1.00 1.00 O +ATOM 80 OE2 GLU A 7 -7.433 5.514 2.227 1.00 1.00 O +ATOM 81 H GLU A 7 -2.763 5.068 0.468 1.00 1.00 H +ATOM 82 HA GLU A 7 -4.571 5.996 -1.506 1.00 1.00 H +ATOM 83 HB2 GLU A 7 -4.394 5.955 1.371 1.00 1.00 H +ATOM 84 HB3 GLU A 7 -4.685 7.610 0.873 1.00 1.00 H +ATOM 85 HG2 GLU A 7 -6.604 6.807 -0.561 1.00 1.00 H +ATOM 86 HG3 GLU A 7 -6.336 5.180 0.035 1.00 1.00 H +ATOM 87 N LYS A 8 -2.646 7.588 -2.318 1.00 1.00 N +ATOM 88 CA LYS A 8 -1.933 8.737 -2.847 1.00 1.00 C +ATOM 89 C LYS A 8 -2.878 9.940 -2.899 1.00 1.00 C +ATOM 90 O LYS A 8 -3.208 10.520 -1.865 1.00 1.00 O +ATOM 91 CB LYS A 8 -1.296 8.398 -4.196 1.00 1.00 C +ATOM 92 CG LYS A 8 0.035 9.130 -4.373 1.00 1.00 C +ATOM 93 CD LYS A 8 -0.191 10.606 -4.710 1.00 1.00 C +ATOM 94 CE LYS A 8 0.615 11.512 -3.775 1.00 1.00 C +ATOM 95 NZ LYS A 8 -0.141 11.778 -2.532 1.00 1.00 N +ATOM 96 H LYS A 8 -2.669 6.791 -2.920 1.00 1.00 H +ATOM 97 HA LYS A 8 -1.121 8.965 -2.156 1.00 1.00 H +ATOM 98 HB2 LYS A 8 -1.135 7.321 -4.266 1.00 1.00 H +ATOM 99 HB3 LYS A 8 -1.975 8.671 -5.002 1.00 1.00 H +ATOM 100 HG2 LYS A 8 0.625 9.049 -3.459 1.00 1.00 H +ATOM 101 HG3 LYS A 8 0.613 8.657 -5.167 1.00 1.00 H +ATOM 102 HD2 LYS A 8 0.097 10.795 -5.744 1.00 1.00 H +ATOM 103 HD3 LYS A 8 -1.251 10.843 -4.626 1.00 1.00 H +ATOM 104 HE2 LYS A 8 1.568 11.039 -3.536 1.00 1.00 H +ATOM 105 HE3 LYS A 8 0.843 12.452 -4.278 1.00 1.00 H +ATOM 106 HZ1 LYS A 8 -1.074 11.401 -2.618 1.00 1.00 H +ATOM 107 HZ2 LYS A 8 0.328 11.339 -1.752 1.00 1.00 H +ATOM 108 HZ3 LYS A 8 -0.216 12.770 -2.337 1.00 1.00 H +ATOM 109 N HIS A 9 -3.288 10.278 -4.113 1.00 1.00 N +ATOM 110 CA HIS A 9 -4.188 11.400 -4.312 1.00 1.00 C +ATOM 111 C HIS A 9 -5.636 10.934 -4.140 1.00 1.00 C +ATOM 112 O HIS A 9 -5.884 9.767 -3.840 1.00 1.00 O +ATOM 113 CB HIS A 9 -3.938 12.064 -5.668 1.00 1.00 C +ATOM 114 CG HIS A 9 -2.896 13.157 -5.633 1.00 1.00 C +ATOM 115 ND1 HIS A 9 -1.906 13.218 -4.668 1.00 1.00 N +ATOM 116 CD2 HIS A 9 -2.700 14.228 -6.454 1.00 1.00 C +ATOM 117 CE1 HIS A 9 -1.154 14.283 -4.907 1.00 1.00 C +ATOM 118 NE2 HIS A 9 -1.649 14.908 -6.014 1.00 1.00 N +ATOM 119 H HIS A 9 -3.015 9.801 -4.948 1.00 1.00 H +ATOM 120 HA HIS A 9 -3.957 12.130 -3.537 1.00 1.00 H +ATOM 121 HB2 HIS A 9 -3.626 11.301 -6.383 1.00 1.00 H +ATOM 122 HB3 HIS A 9 -4.875 12.481 -6.035 1.00 1.00 H +ATOM 123 HD1 HIS A 9 -1.779 12.569 -3.918 1.00 1.00 H +ATOM 124 HD2 HIS A 9 -3.305 14.483 -7.325 1.00 1.00 H +ATOM 125 HE1 HIS A 9 -0.293 14.604 -4.321 1.00 1.00 H +ATOM 126 N SER A 10 -6.552 11.870 -4.337 1.00 1.00 N +ATOM 127 CA SER A 10 -7.969 11.570 -4.206 1.00 1.00 C +ATOM 128 C SER A 10 -8.493 10.947 -5.501 1.00 1.00 C +ATOM 129 O SER A 10 -9.652 11.145 -5.864 1.00 1.00 O +ATOM 130 CB SER A 10 -8.769 12.826 -3.858 1.00 1.00 C +ATOM 131 OG SER A 10 -8.283 13.456 -2.676 1.00 1.00 O +ATOM 132 H SER A 10 -6.342 12.816 -4.580 1.00 1.00 H +ATOM 133 HA SER A 10 -8.037 10.856 -3.385 1.00 1.00 H +ATOM 134 HB2 SER A 10 -8.719 13.530 -4.690 1.00 1.00 H +ATOM 135 HB3 SER A 10 -9.818 12.563 -3.725 1.00 1.00 H +ATOM 136 HG SER A 10 -7.356 13.798 -2.824 1.00 1.00 H +ATOM 137 N TRP A 11 -7.614 10.212 -6.166 1.00 1.00 N +ATOM 138 CA TRP A 11 -7.975 9.560 -7.414 1.00 1.00 C +ATOM 139 C TRP A 11 -7.117 8.301 -7.555 1.00 1.00 C +ATOM 140 O TRP A 11 -6.978 7.759 -8.650 1.00 1.00 O +ATOM 141 CB TRP A 11 -7.826 10.520 -8.596 1.00 1.00 C +ATOM 142 CG TRP A 11 -6.605 11.438 -8.503 1.00 1.00 C +ATOM 143 CD1 TRP A 11 -6.582 12.771 -8.370 1.00 1.00 C +ATOM 144 CD2 TRP A 11 -5.220 11.032 -8.541 1.00 1.00 C +ATOM 145 NE1 TRP A 11 -5.291 13.253 -8.319 1.00 1.00 N +ATOM 146 CE2 TRP A 11 -4.436 12.164 -8.428 1.00 1.00 C +ATOM 147 CE3 TRP A 11 -4.650 9.755 -8.668 1.00 1.00 C +ATOM 148 CZ2 TRP A 11 -3.037 12.128 -8.429 1.00 1.00 C +ATOM 149 CZ3 TRP A 11 -3.249 9.737 -8.669 1.00 1.00 C +ATOM 150 CH2 TRP A 11 -2.445 10.864 -8.554 1.00 1.00 C +ATOM 151 H TRP A 11 -6.674 10.056 -5.864 1.00 1.00 H +ATOM 152 HA TRP A 11 -9.028 9.289 -7.356 1.00 1.00 H +ATOM 153 HB2 TRP A 11 -7.762 9.939 -9.516 1.00 1.00 H +ATOM 154 HB3 TRP A 11 -8.723 11.133 -8.668 1.00 1.00 H +ATOM 155 HD1 TRP A 11 -7.475 13.395 -8.307 1.00 1.00 H +ATOM 156 HE1 TRP A 11 -4.995 14.298 -8.214 1.00 1.00 H +ATOM 157 HE3 TRP A 11 -5.246 8.848 -8.760 1.00 1.00 H +ATOM 158 HZ2 TRP A 11 -2.439 13.035 -8.337 1.00 1.00 H +ATOM 159 HZ3 TRP A 11 -2.755 8.770 -8.766 1.00 1.00 H +ATOM 160 HH2 TRP A 11 -1.360 10.767 -8.564 1.00 1.00 H +ATOM 161 N TYR A 12 -6.563 7.871 -6.429 1.00 1.00 N +ATOM 162 CA TYR A 12 -5.723 6.686 -6.414 1.00 1.00 C +ATOM 163 C TYR A 12 -6.342 5.588 -5.548 1.00 1.00 C +ATOM 164 O TYR A 12 -6.865 5.862 -4.469 1.00 1.00 O +ATOM 165 CB TYR A 12 -4.393 7.121 -5.794 1.00 1.00 C +ATOM 166 CG TYR A 12 -3.164 6.510 -6.469 1.00 1.00 C +ATOM 167 CD1 TYR A 12 -3.009 6.606 -7.837 1.00 1.00 C +ATOM 168 CD2 TYR A 12 -2.208 5.865 -5.711 1.00 1.00 C +ATOM 169 CE1 TYR A 12 -1.852 6.031 -8.474 1.00 1.00 C +ATOM 170 CE2 TYR A 12 -1.050 5.291 -6.346 1.00 1.00 C +ATOM 171 CZ TYR A 12 -0.929 5.402 -7.695 1.00 1.00 C +ATOM 172 OH TYR A 12 0.164 4.861 -8.296 1.00 1.00 O +ATOM 173 H TYR A 12 -6.681 8.318 -5.543 1.00 1.00 H +ATOM 174 HA TYR A 12 -5.634 6.324 -7.438 1.00 1.00 H +ATOM 175 HB2 TYR A 12 -4.319 8.207 -5.841 1.00 1.00 H +ATOM 176 HB3 TYR A 12 -4.389 6.845 -4.740 1.00 1.00 H +ATOM 177 HD1 TYR A 12 -3.763 7.115 -8.436 1.00 1.00 H +ATOM 178 HD2 TYR A 12 -2.330 5.791 -4.630 1.00 1.00 H +ATOM 179 HE1 TYR A 12 -1.718 6.099 -9.553 1.00 1.00 H +ATOM 180 HE2 TYR A 12 -0.289 4.780 -5.759 1.00 1.00 H +ATOM 181 HH TYR A 12 0.344 5.325 -9.163 1.00 1.00 H +ATOM 182 N HIS A 13 -6.258 4.365 -6.052 1.00 1.00 N +ATOM 183 CA HIS A 13 -6.804 3.223 -5.337 1.00 1.00 C +ATOM 184 C HIS A 13 -5.828 2.048 -5.426 1.00 1.00 C +ATOM 185 O HIS A 13 -5.190 1.691 -4.436 1.00 1.00 O +ATOM 186 CB HIS A 13 -8.200 2.873 -5.857 1.00 1.00 C +ATOM 187 CG HIS A 13 -8.517 3.462 -7.211 1.00 1.00 C +ATOM 188 ND1 HIS A 13 -9.812 3.623 -7.674 1.00 1.00 N +ATOM 189 CD2 HIS A 13 -7.695 3.928 -8.195 1.00 1.00 C +ATOM 190 CE1 HIS A 13 -9.759 4.161 -8.884 1.00 1.00 C +ATOM 191 NE2 HIS A 13 -8.447 4.348 -9.205 1.00 1.00 N +ATOM 192 H HIS A 13 -5.831 4.149 -6.930 1.00 1.00 H +ATOM 193 HA HIS A 13 -6.904 3.525 -4.296 1.00 1.00 H +ATOM 194 HB2 HIS A 13 -8.295 1.788 -5.913 1.00 1.00 H +ATOM 195 HB3 HIS A 13 -8.942 3.220 -5.138 1.00 1.00 H +ATOM 196 HD1 HIS A 13 -10.645 3.376 -7.178 1.00 1.00 H +ATOM 197 HD2 HIS A 13 -6.607 3.948 -8.158 1.00 1.00 H +ATOM 198 HE1 HIS A 13 -10.614 4.410 -9.510 1.00 1.00 H +ATOM 199 N GLY A 14 -5.741 1.481 -6.620 1.00 1.00 N +ATOM 200 CA GLY A 14 -4.852 0.354 -6.850 1.00 1.00 C +ATOM 201 C GLY A 14 -4.904 -0.095 -8.312 1.00 1.00 C +ATOM 202 O GLY A 14 -5.438 0.613 -9.164 1.00 1.00 O +ATOM 203 H GLY A 14 -6.263 1.777 -7.419 1.00 1.00 H +ATOM 204 HA2 GLY A 14 -3.831 0.632 -6.587 1.00 1.00 H +ATOM 205 HA3 GLY A 14 -5.135 -0.475 -6.201 1.00 1.00 H +ATOM 206 N PRO A 15 -4.327 -1.300 -8.564 1.00 1.00 N +ATOM 207 CA PRO A 15 -4.302 -1.853 -9.907 1.00 1.00 C +ATOM 208 C PRO A 15 -5.679 -2.390 -10.305 1.00 1.00 C +ATOM 209 O PRO A 15 -6.285 -3.163 -9.563 1.00 1.00 O +ATOM 210 CB PRO A 15 -3.231 -2.931 -9.870 1.00 1.00 C +ATOM 211 CG PRO A 15 -3.023 -3.261 -8.400 1.00 1.00 C +ATOM 212 CD PRO A 15 -3.684 -2.166 -7.579 1.00 1.00 C +ATOM 213 HA PRO A 15 -4.085 -1.138 -10.573 1.00 1.00 H +ATOM 214 HB2 PRO A 15 -3.546 -3.813 -10.428 1.00 1.00 H +ATOM 215 HB3 PRO A 15 -2.306 -2.579 -10.326 1.00 1.00 H +ATOM 216 HG2 PRO A 15 -3.457 -4.233 -8.163 1.00 1.00 H +ATOM 217 HG3 PRO A 15 -1.960 -3.321 -8.171 1.00 1.00 H +ATOM 218 HD2 PRO A 15 -4.413 -2.581 -6.880 1.00 1.00 H +ATOM 219 HD3 PRO A 15 -2.952 -1.618 -6.986 1.00 1.00 H +ATOM 220 N VAL A 16 -6.130 -1.961 -11.473 1.00 1.00 N +ATOM 221 CA VAL A 16 -7.424 -2.389 -11.978 1.00 1.00 C +ATOM 222 C VAL A 16 -7.393 -2.395 -13.508 1.00 1.00 C +ATOM 223 O VAL A 16 -6.701 -1.584 -14.122 1.00 1.00 O +ATOM 224 CB VAL A 16 -8.531 -1.500 -11.405 1.00 1.00 C +ATOM 225 CG1 VAL A 16 -9.896 -1.893 -11.970 1.00 1.00 C +ATOM 226 CG2 VAL A 16 -8.534 -1.544 -9.877 1.00 1.00 C +ATOM 227 H VAL A 16 -5.631 -1.333 -12.070 1.00 1.00 H +ATOM 228 HA VAL A 16 -7.594 -3.407 -11.627 1.00 1.00 H +ATOM 229 HB VAL A 16 -8.325 -0.473 -11.711 1.00 1.00 H +ATOM 230 HG11 VAL A 16 -9.799 -2.130 -13.029 1.00 1.00 H +ATOM 231 HG12 VAL A 16 -10.272 -2.767 -11.437 1.00 1.00 H +ATOM 232 HG13 VAL A 16 -10.593 -1.063 -11.845 1.00 1.00 H +ATOM 233 HG21 VAL A 16 -8.690 -2.571 -9.545 1.00 1.00 H +ATOM 234 HG22 VAL A 16 -7.578 -1.181 -9.501 1.00 1.00 H +ATOM 235 HG23 VAL A 16 -9.337 -0.914 -9.496 1.00 1.00 H +ATOM 236 N SER A 17 -8.152 -3.318 -14.080 1.00 1.00 N +ATOM 237 CA SER A 17 -8.221 -3.440 -15.526 1.00 1.00 C +ATOM 238 C SER A 17 -9.132 -2.354 -16.101 1.00 1.00 C +ATOM 239 O SER A 17 -10.193 -2.073 -15.547 1.00 1.00 O +ATOM 240 CB SER A 17 -8.722 -4.826 -15.938 1.00 1.00 C +ATOM 241 OG SER A 17 -10.058 -5.061 -15.505 1.00 1.00 O +ATOM 242 H SER A 17 -8.712 -3.973 -13.574 1.00 1.00 H +ATOM 243 HA SER A 17 -7.197 -3.306 -15.875 1.00 1.00 H +ATOM 244 HB2 SER A 17 -8.670 -4.922 -17.023 1.00 1.00 H +ATOM 245 HB3 SER A 17 -8.065 -5.588 -15.519 1.00 1.00 H +ATOM 246 HG SER A 17 -10.093 -5.874 -14.924 1.00 1.00 H +ATOM 247 N ARG A 18 -8.683 -1.774 -17.204 1.00 1.00 N +ATOM 248 CA ARG A 18 -9.445 -0.724 -17.859 1.00 1.00 C +ATOM 249 C ARG A 18 -10.925 -1.103 -17.924 1.00 1.00 C +ATOM 250 O ARG A 18 -11.796 -0.241 -17.819 1.00 1.00 O +ATOM 251 CB ARG A 18 -8.927 -0.471 -19.278 1.00 1.00 C +ATOM 252 CG ARG A 18 -8.177 -1.693 -19.812 1.00 1.00 C +ATOM 253 CD ARG A 18 -8.326 -1.807 -21.330 1.00 1.00 C +ATOM 254 NE ARG A 18 -7.180 -1.155 -22.003 1.00 1.00 N +ATOM 255 CZ ARG A 18 -6.673 -1.553 -23.178 1.00 1.00 C +ATOM 256 NH1 ARG A 18 -7.208 -2.603 -23.816 1.00 1.00 N +ATOM 257 NH2 ARG A 18 -5.631 -0.905 -23.712 1.00 1.00 N +ATOM 258 H ARG A 18 -7.819 -2.008 -17.647 1.00 1.00 H +ATOM 259 HA ARG A 18 -9.293 0.160 -17.238 1.00 1.00 H +ATOM 260 HB2 ARG A 18 -9.763 -0.236 -19.936 1.00 1.00 H +ATOM 261 HB3 ARG A 18 -8.267 0.395 -19.279 1.00 1.00 H +ATOM 262 HG2 ARG A 18 -7.121 -1.617 -19.552 1.00 1.00 H +ATOM 263 HG3 ARG A 18 -8.559 -2.596 -19.336 1.00 1.00 H +ATOM 264 HD2 ARG A 18 -8.382 -2.856 -21.621 1.00 1.00 H +ATOM 265 HD3 ARG A 18 -9.259 -1.339 -21.648 1.00 1.00 H +ATOM 266 HE ARG A 18 -6.757 -0.370 -21.552 1.00 1.00 H +ATOM 267 HH11 ARG A 18 -7.986 -3.090 -23.417 1.00 1.00 H +ATOM 268 HH12 ARG A 18 -6.830 -2.900 -24.694 1.00 1.00 H +ATOM 269 HH21 ARG A 18 -5.232 -0.121 -23.235 1.00 1.00 H +ATOM 270 HH22 ARG A 18 -5.253 -1.201 -24.588 1.00 1.00 H +ATOM 271 N ASN A 19 -11.165 -2.395 -18.096 1.00 1.00 N +ATOM 272 CA ASN A 19 -12.526 -2.899 -18.176 1.00 1.00 C +ATOM 273 C ASN A 19 -13.389 -2.193 -17.128 1.00 1.00 C +ATOM 274 O ASN A 19 -14.431 -1.628 -17.458 1.00 1.00 O +ATOM 275 CB ASN A 19 -12.573 -4.402 -17.891 1.00 1.00 C +ATOM 276 CG ASN A 19 -11.768 -5.182 -18.932 1.00 1.00 C +ATOM 277 OD1 ASN A 19 -11.686 -4.817 -20.093 1.00 1.00 O +ATOM 278 ND2 ASN A 19 -11.180 -6.274 -18.453 1.00 1.00 N +ATOM 279 H ASN A 19 -10.451 -3.089 -18.180 1.00 1.00 H +ATOM 280 HA ASN A 19 -12.851 -2.689 -19.195 1.00 1.00 H +ATOM 281 HB2 ASN A 19 -12.176 -4.601 -16.895 1.00 1.00 H +ATOM 282 HB3 ASN A 19 -13.608 -4.743 -17.897 1.00 1.00 H +ATOM 283 HD21 ASN A 19 -11.287 -6.518 -17.488 1.00 1.00 H +ATOM 284 HD22 ASN A 19 -10.630 -6.852 -19.056 1.00 1.00 H +ATOM 285 N ALA A 20 -12.924 -2.247 -15.889 1.00 1.00 N +ATOM 286 CA ALA A 20 -13.640 -1.619 -14.793 1.00 1.00 C +ATOM 287 C ALA A 20 -13.575 -0.099 -14.950 1.00 1.00 C +ATOM 288 O ALA A 20 -14.567 0.595 -14.729 1.00 1.00 O +ATOM 289 CB ALA A 20 -13.052 -2.093 -13.462 1.00 1.00 C +ATOM 290 H ALA A 20 -12.075 -2.709 -15.631 1.00 1.00 H +ATOM 291 HA ALA A 20 -14.680 -1.938 -14.850 1.00 1.00 H +ATOM 292 HB1 ALA A 20 -12.588 -3.069 -13.596 1.00 1.00 H +ATOM 293 HB2 ALA A 20 -12.305 -1.378 -13.119 1.00 1.00 H +ATOM 294 HB3 ALA A 20 -13.849 -2.170 -12.720 1.00 1.00 H +ATOM 295 N ALA A 21 -12.397 0.374 -15.331 1.00 1.00 N +ATOM 296 CA ALA A 21 -12.189 1.800 -15.521 1.00 1.00 C +ATOM 297 C ALA A 21 -13.348 2.376 -16.337 1.00 1.00 C +ATOM 298 O ALA A 21 -14.116 3.196 -15.839 1.00 1.00 O +ATOM 299 CB ALA A 21 -10.833 2.034 -16.189 1.00 1.00 C +ATOM 300 H ALA A 21 -11.596 -0.196 -15.509 1.00 1.00 H +ATOM 301 HA ALA A 21 -12.182 2.268 -14.536 1.00 1.00 H +ATOM 302 HB1 ALA A 21 -10.709 1.333 -17.014 1.00 1.00 H +ATOM 303 HB2 ALA A 21 -10.785 3.054 -16.569 1.00 1.00 H +ATOM 304 HB3 ALA A 21 -10.038 1.881 -15.459 1.00 1.00 H +ATOM 305 N GLU A 22 -13.437 1.922 -17.579 1.00 1.00 N +ATOM 306 CA GLU A 22 -14.489 2.382 -18.470 1.00 1.00 C +ATOM 307 C GLU A 22 -15.864 2.049 -17.884 1.00 1.00 C +ATOM 308 O GLU A 22 -16.841 2.746 -18.152 1.00 1.00 O +ATOM 309 CB GLU A 22 -14.327 1.779 -19.867 1.00 1.00 C +ATOM 310 CG GLU A 22 -13.337 0.615 -19.849 1.00 1.00 C +ATOM 311 CD GLU A 22 -13.396 -0.176 -21.159 1.00 1.00 C +ATOM 312 OE1 GLU A 22 -13.768 0.443 -22.179 1.00 1.00 O +ATOM 313 OE2 GLU A 22 -13.067 -1.382 -21.109 1.00 1.00 O +ATOM 314 H GLU A 22 -12.808 1.255 -17.978 1.00 1.00 H +ATOM 315 HA GLU A 22 -14.365 3.463 -18.531 1.00 1.00 H +ATOM 316 HB2 GLU A 22 -15.294 1.432 -20.232 1.00 1.00 H +ATOM 317 HB3 GLU A 22 -13.982 2.546 -20.560 1.00 1.00 H +ATOM 318 HG2 GLU A 22 -12.325 0.994 -19.696 1.00 1.00 H +ATOM 319 HG3 GLU A 22 -13.560 -0.047 -19.012 1.00 1.00 H +ATOM 320 N TYR A 23 -15.894 0.984 -17.098 1.00 1.00 N +ATOM 321 CA TYR A 23 -17.132 0.549 -16.473 1.00 1.00 C +ATOM 322 C TYR A 23 -17.537 1.500 -15.344 1.00 1.00 C +ATOM 323 O TYR A 23 -18.520 2.229 -15.465 1.00 1.00 O +ATOM 324 CB TYR A 23 -16.845 -0.832 -15.882 1.00 1.00 C +ATOM 325 CG TYR A 23 -18.083 -1.547 -15.339 1.00 1.00 C +ATOM 326 CD1 TYR A 23 -18.707 -1.079 -14.200 1.00 1.00 C +ATOM 327 CD2 TYR A 23 -18.578 -2.660 -15.988 1.00 1.00 C +ATOM 328 CE1 TYR A 23 -19.873 -1.751 -13.690 1.00 1.00 C +ATOM 329 CE2 TYR A 23 -19.744 -3.332 -15.477 1.00 1.00 C +ATOM 330 CZ TYR A 23 -20.333 -2.845 -14.353 1.00 1.00 C +ATOM 331 OH TYR A 23 -21.436 -3.479 -13.871 1.00 1.00 O +ATOM 332 H TYR A 23 -15.095 0.422 -16.885 1.00 1.00 H +ATOM 333 HA TYR A 23 -17.911 0.549 -17.236 1.00 1.00 H +ATOM 334 HB2 TYR A 23 -16.385 -1.456 -16.649 1.00 1.00 H +ATOM 335 HB3 TYR A 23 -16.116 -0.728 -15.078 1.00 1.00 H +ATOM 336 HD1 TYR A 23 -18.316 -0.199 -13.688 1.00 1.00 H +ATOM 337 HD2 TYR A 23 -18.086 -3.030 -16.888 1.00 1.00 H +ATOM 338 HE1 TYR A 23 -20.374 -1.391 -12.792 1.00 1.00 H +ATOM 339 HE2 TYR A 23 -20.145 -4.212 -15.980 1.00 1.00 H +ATOM 340 HH TYR A 23 -21.799 -2.983 -13.082 1.00 1.00 H +ATOM 341 N LEU A 24 -16.761 1.459 -14.271 1.00 1.00 N +ATOM 342 CA LEU A 24 -17.027 2.306 -13.122 1.00 1.00 C +ATOM 343 C LEU A 24 -16.962 3.773 -13.549 1.00 1.00 C +ATOM 344 O LEU A 24 -17.430 4.655 -12.831 1.00 1.00 O +ATOM 345 CB LEU A 24 -16.082 1.960 -11.969 1.00 1.00 C +ATOM 346 CG LEU A 24 -14.601 2.256 -12.205 1.00 1.00 C +ATOM 347 CD1 LEU A 24 -14.213 3.614 -11.618 1.00 1.00 C +ATOM 348 CD2 LEU A 24 -13.722 1.126 -11.662 1.00 1.00 C +ATOM 349 H LEU A 24 -15.964 0.863 -14.181 1.00 1.00 H +ATOM 350 HA LEU A 24 -18.041 2.090 -12.783 1.00 1.00 H +ATOM 351 HB2 LEU A 24 -16.406 2.505 -11.083 1.00 1.00 H +ATOM 352 HB3 LEU A 24 -16.190 0.898 -11.746 1.00 1.00 H +ATOM 353 HG LEU A 24 -14.428 2.309 -13.280 1.00 1.00 H +ATOM 354 HD11 LEU A 24 -15.049 4.306 -11.720 1.00 1.00 H +ATOM 355 HD12 LEU A 24 -13.964 3.498 -10.563 1.00 1.00 H +ATOM 356 HD13 LEU A 24 -13.349 4.009 -12.154 1.00 1.00 H +ATOM 357 HD21 LEU A 24 -14.285 0.548 -10.930 1.00 1.00 H +ATOM 358 HD22 LEU A 24 -13.418 0.476 -12.483 1.00 1.00 H +ATOM 359 HD23 LEU A 24 -12.836 1.551 -11.187 1.00 1.00 H +ATOM 360 N LEU A 25 -16.377 3.990 -14.719 1.00 1.00 N +ATOM 361 CA LEU A 25 -16.245 5.336 -15.250 1.00 1.00 C +ATOM 362 C LEU A 25 -17.611 6.025 -15.230 1.00 1.00 C +ATOM 363 O LEU A 25 -18.645 5.362 -15.306 1.00 1.00 O +ATOM 364 CB LEU A 25 -15.593 5.305 -16.634 1.00 1.00 C +ATOM 365 CG LEU A 25 -15.881 6.502 -17.541 1.00 1.00 C +ATOM 366 CD1 LEU A 25 -14.974 7.684 -17.194 1.00 1.00 C +ATOM 367 CD2 LEU A 25 -15.777 6.111 -19.016 1.00 1.00 C +ATOM 368 H LEU A 25 -15.999 3.268 -15.297 1.00 1.00 H +ATOM 369 HA LEU A 25 -15.572 5.884 -14.590 1.00 1.00 H +ATOM 370 HB2 LEU A 25 -14.513 5.225 -16.504 1.00 1.00 H +ATOM 371 HB3 LEU A 25 -15.918 4.398 -17.146 1.00 1.00 H +ATOM 372 HG LEU A 25 -16.909 6.822 -17.366 1.00 1.00 H +ATOM 373 HD11 LEU A 25 -15.085 7.931 -16.138 1.00 1.00 H +ATOM 374 HD12 LEU A 25 -13.937 7.417 -17.397 1.00 1.00 H +ATOM 375 HD13 LEU A 25 -15.252 8.546 -17.800 1.00 1.00 H +ATOM 376 HD21 LEU A 25 -14.956 5.407 -19.148 1.00 1.00 H +ATOM 377 HD22 LEU A 25 -16.709 5.646 -19.336 1.00 1.00 H +ATOM 378 HD23 LEU A 25 -15.590 7.002 -19.616 1.00 1.00 H +ATOM 379 N SER A 26 -17.571 7.346 -15.129 1.00 1.00 N +ATOM 380 CA SER A 26 -18.793 8.131 -15.098 1.00 1.00 C +ATOM 381 C SER A 26 -19.782 7.600 -16.137 1.00 1.00 C +ATOM 382 O SER A 26 -20.546 6.676 -15.858 1.00 1.00 O +ATOM 383 CB SER A 26 -18.503 9.611 -15.349 1.00 1.00 C +ATOM 384 OG SER A 26 -17.716 9.809 -16.522 1.00 1.00 O +ATOM 385 H SER A 26 -16.726 7.876 -15.067 1.00 1.00 H +ATOM 386 HA SER A 26 -19.192 8.005 -14.092 1.00 1.00 H +ATOM 387 HB2 SER A 26 -19.443 10.154 -15.448 1.00 1.00 H +ATOM 388 HB3 SER A 26 -17.982 10.030 -14.489 1.00 1.00 H +ATOM 389 HG SER A 26 -16.757 9.602 -16.330 1.00 1.00 H +ATOM 390 N SER A 27 -19.738 8.206 -17.314 1.00 1.00 N +ATOM 391 CA SER A 27 -20.620 7.806 -18.397 1.00 1.00 C +ATOM 392 C SER A 27 -20.422 8.728 -19.602 1.00 1.00 C +ATOM 393 O SER A 27 -20.154 8.261 -20.708 1.00 1.00 O +ATOM 394 CB SER A 27 -22.084 7.824 -17.950 1.00 1.00 C +ATOM 395 OG SER A 27 -22.416 9.026 -17.258 1.00 1.00 O +ATOM 396 H SER A 27 -19.114 8.956 -17.533 1.00 1.00 H +ATOM 397 HA SER A 27 -20.329 6.786 -18.644 1.00 1.00 H +ATOM 398 HB2 SER A 27 -22.731 7.716 -18.820 1.00 1.00 H +ATOM 399 HB3 SER A 27 -22.274 6.968 -17.302 1.00 1.00 H +ATOM 400 HG SER A 27 -23.285 8.914 -16.778 1.00 1.00 H +ATOM 401 N GLY A 28 -20.562 10.022 -19.346 1.00 1.00 N +ATOM 402 CA GLY A 28 -20.402 11.013 -20.395 1.00 1.00 C +ATOM 403 C GLY A 28 -20.115 12.395 -19.805 1.00 1.00 C +ATOM 404 O GLY A 28 -20.868 13.342 -20.036 1.00 1.00 O +ATOM 405 H GLY A 28 -20.781 10.393 -18.444 1.00 1.00 H +ATOM 406 HA2 GLY A 28 -19.587 10.720 -21.058 1.00 1.00 H +ATOM 407 HA3 GLY A 28 -21.307 11.053 -21.003 1.00 1.00 H +ATOM 408 N ILE A 29 -19.024 12.468 -19.057 1.00 1.00 N +ATOM 409 CA ILE A 29 -18.629 13.718 -18.432 1.00 1.00 C +ATOM 410 C ILE A 29 -17.848 14.563 -19.440 1.00 1.00 C +ATOM 411 O ILE A 29 -17.413 14.057 -20.474 1.00 1.00 O +ATOM 412 CB ILE A 29 -17.864 13.450 -17.134 1.00 1.00 C +ATOM 413 CG1 ILE A 29 -18.584 12.404 -16.279 1.00 1.00 C +ATOM 414 CG2 ILE A 29 -17.618 14.749 -16.363 1.00 1.00 C +ATOM 415 CD1 ILE A 29 -19.688 13.049 -15.438 1.00 1.00 C +ATOM 416 H ILE A 29 -18.418 11.694 -18.875 1.00 1.00 H +ATOM 417 HA ILE A 29 -19.540 14.253 -18.164 1.00 1.00 H +ATOM 418 HB ILE A 29 -16.887 13.039 -17.391 1.00 1.00 H +ATOM 419 HG12 ILE A 29 -19.014 11.636 -16.923 1.00 1.00 H +ATOM 420 HG13 ILE A 29 -17.867 11.907 -15.626 1.00 1.00 H +ATOM 421 HG21 ILE A 29 -18.523 15.356 -16.377 1.00 1.00 H +ATOM 422 HG22 ILE A 29 -17.354 14.515 -15.332 1.00 1.00 H +ATOM 423 HG23 ILE A 29 -16.803 15.300 -16.831 1.00 1.00 H +ATOM 424 HD11 ILE A 29 -19.275 13.887 -14.880 1.00 1.00 H +ATOM 425 HD12 ILE A 29 -20.484 13.405 -16.095 1.00 1.00 H +ATOM 426 HD13 ILE A 29 -20.092 12.312 -14.744 1.00 1.00 H +ATOM 427 N ASN A 30 -17.695 15.836 -19.105 1.00 1.00 N +ATOM 428 CA ASN A 30 -16.976 16.756 -19.970 1.00 1.00 C +ATOM 429 C ASN A 30 -15.472 16.511 -19.829 1.00 1.00 C +ATOM 430 O ASN A 30 -14.666 17.198 -20.455 1.00 1.00 O +ATOM 431 CB ASN A 30 -17.255 18.209 -19.582 1.00 1.00 C +ATOM 432 CG ASN A 30 -16.881 19.162 -20.719 1.00 1.00 C +ATOM 433 OD1 ASN A 30 -15.718 19.389 -21.015 1.00 1.00 O +ATOM 434 ND2 ASN A 30 -17.924 19.704 -21.337 1.00 1.00 N +ATOM 435 H ASN A 30 -18.052 16.239 -18.263 1.00 1.00 H +ATOM 436 HA ASN A 30 -17.339 16.548 -20.975 1.00 1.00 H +ATOM 437 HB2 ASN A 30 -18.311 18.327 -19.337 1.00 1.00 H +ATOM 438 HB3 ASN A 30 -16.690 18.466 -18.686 1.00 1.00 H +ATOM 439 HD21 ASN A 30 -18.853 19.476 -21.045 1.00 1.00 H +ATOM 440 HD22 ASN A 30 -17.782 20.342 -22.095 1.00 1.00 H +ATOM 441 N GLY A 31 -15.139 15.529 -19.004 1.00 1.00 N +ATOM 442 CA GLY A 31 -13.748 15.183 -18.773 1.00 1.00 C +ATOM 443 C GLY A 31 -13.582 14.422 -17.457 1.00 1.00 C +ATOM 444 O GLY A 31 -13.604 15.019 -16.382 1.00 1.00 O +ATOM 445 H GLY A 31 -15.802 14.974 -18.499 1.00 1.00 H +ATOM 446 HA2 GLY A 31 -13.378 14.576 -19.598 1.00 1.00 H +ATOM 447 HA3 GLY A 31 -13.143 16.091 -18.750 1.00 1.00 H +ATOM 448 N SER A 32 -13.421 13.112 -17.584 1.00 1.00 N +ATOM 449 CA SER A 32 -13.252 12.262 -16.418 1.00 1.00 C +ATOM 450 C SER A 32 -12.212 11.177 -16.707 1.00 1.00 C +ATOM 451 O SER A 32 -12.287 10.500 -17.731 1.00 1.00 O +ATOM 452 CB SER A 32 -14.581 11.628 -16.001 1.00 1.00 C +ATOM 453 OG SER A 32 -15.134 12.254 -14.847 1.00 1.00 O +ATOM 454 H SER A 32 -13.405 12.634 -18.461 1.00 1.00 H +ATOM 455 HA SER A 32 -12.903 12.924 -15.626 1.00 1.00 H +ATOM 456 HB2 SER A 32 -15.290 11.699 -16.825 1.00 1.00 H +ATOM 457 HB3 SER A 32 -14.429 10.567 -15.803 1.00 1.00 H +ATOM 458 HG SER A 32 -14.837 13.207 -14.801 1.00 1.00 H +ATOM 459 N PHE A 33 -11.269 11.047 -15.787 1.00 1.00 N +ATOM 460 CA PHE A 33 -10.217 10.055 -15.931 1.00 1.00 C +ATOM 461 C PHE A 33 -10.038 9.254 -14.639 1.00 1.00 C +ATOM 462 O PHE A 33 -10.573 9.624 -13.596 1.00 1.00 O +ATOM 463 CB PHE A 33 -8.923 10.817 -16.227 1.00 1.00 C +ATOM 464 CG PHE A 33 -8.129 11.206 -14.979 1.00 1.00 C +ATOM 465 CD1 PHE A 33 -8.769 11.751 -13.909 1.00 1.00 C +ATOM 466 CD2 PHE A 33 -6.784 11.005 -14.937 1.00 1.00 C +ATOM 467 CE1 PHE A 33 -8.032 12.112 -12.751 1.00 1.00 C +ATOM 468 CE2 PHE A 33 -6.048 11.366 -13.778 1.00 1.00 C +ATOM 469 CZ PHE A 33 -6.687 11.912 -12.709 1.00 1.00 C +ATOM 470 H PHE A 33 -11.216 11.602 -14.957 1.00 1.00 H +ATOM 471 HA PHE A 33 -10.513 9.382 -16.735 1.00 1.00 H +ATOM 472 HB2 PHE A 33 -8.292 10.202 -16.869 1.00 1.00 H +ATOM 473 HB3 PHE A 33 -9.165 11.720 -16.787 1.00 1.00 H +ATOM 474 HD1 PHE A 33 -9.846 11.912 -13.943 1.00 1.00 H +ATOM 475 HD2 PHE A 33 -6.273 10.567 -15.794 1.00 1.00 H +ATOM 476 HE1 PHE A 33 -8.545 12.550 -11.893 1.00 1.00 H +ATOM 477 HE2 PHE A 33 -4.971 11.206 -13.745 1.00 1.00 H +ATOM 478 HZ PHE A 33 -6.122 12.189 -11.818 1.00 1.00 H +ATOM 479 N LEU A 34 -9.283 8.171 -14.752 1.00 1.00 N +ATOM 480 CA LEU A 34 -9.028 7.314 -13.607 1.00 1.00 C +ATOM 481 C LEU A 34 -7.657 6.654 -13.764 1.00 1.00 C +ATOM 482 O LEU A 34 -7.471 5.799 -14.630 1.00 1.00 O +ATOM 483 CB LEU A 34 -10.172 6.315 -13.418 1.00 1.00 C +ATOM 484 CG LEU A 34 -11.300 6.759 -12.484 1.00 1.00 C +ATOM 485 CD1 LEU A 34 -12.668 6.522 -13.126 1.00 1.00 C +ATOM 486 CD2 LEU A 34 -11.182 6.076 -11.119 1.00 1.00 C +ATOM 487 H LEU A 34 -8.851 7.876 -15.605 1.00 1.00 H +ATOM 488 HA LEU A 34 -9.006 7.950 -12.722 1.00 1.00 H +ATOM 489 HB2 LEU A 34 -10.601 6.097 -14.396 1.00 1.00 H +ATOM 490 HB3 LEU A 34 -9.756 5.383 -13.036 1.00 1.00 H +ATOM 491 HG LEU A 34 -11.205 7.831 -12.316 1.00 1.00 H +ATOM 492 HD11 LEU A 34 -12.545 5.941 -14.039 1.00 1.00 H +ATOM 493 HD12 LEU A 34 -13.307 5.976 -12.432 1.00 1.00 H +ATOM 494 HD13 LEU A 34 -13.128 7.482 -13.366 1.00 1.00 H +ATOM 495 HD21 LEU A 34 -10.192 6.263 -10.704 1.00 1.00 H +ATOM 496 HD22 LEU A 34 -11.940 6.475 -10.446 1.00 1.00 H +ATOM 497 HD23 LEU A 34 -11.330 5.002 -11.238 1.00 1.00 H +ATOM 498 N VAL A 35 -6.731 7.075 -12.916 1.00 1.00 N +ATOM 499 CA VAL A 35 -5.382 6.536 -12.950 1.00 1.00 C +ATOM 500 C VAL A 35 -5.401 5.095 -12.437 1.00 1.00 C +ATOM 501 O VAL A 35 -6.096 4.785 -11.471 1.00 1.00 O +ATOM 502 CB VAL A 35 -4.436 7.441 -12.159 1.00 1.00 C +ATOM 503 CG1 VAL A 35 -3.064 6.785 -11.989 1.00 1.00 C +ATOM 504 CG2 VAL A 35 -4.309 8.814 -12.821 1.00 1.00 C +ATOM 505 H VAL A 35 -6.891 7.770 -12.215 1.00 1.00 H +ATOM 506 HA VAL A 35 -5.056 6.533 -13.990 1.00 1.00 H +ATOM 507 HB VAL A 35 -4.864 7.586 -11.167 1.00 1.00 H +ATOM 508 HG11 VAL A 35 -3.110 5.754 -12.337 1.00 1.00 H +ATOM 509 HG12 VAL A 35 -2.325 7.334 -12.571 1.00 1.00 H +ATOM 510 HG13 VAL A 35 -2.782 6.801 -10.937 1.00 1.00 H +ATOM 511 HG21 VAL A 35 -5.215 9.030 -13.389 1.00 1.00 H +ATOM 512 HG22 VAL A 35 -4.171 9.577 -12.055 1.00 1.00 H +ATOM 513 HG23 VAL A 35 -3.451 8.816 -13.494 1.00 1.00 H +ATOM 514 N ARG A 36 -4.627 4.251 -13.105 1.00 1.00 N +ATOM 515 CA ARG A 36 -4.546 2.851 -12.727 1.00 1.00 C +ATOM 516 C ARG A 36 -3.084 2.430 -12.565 1.00 1.00 C +ATOM 517 O ARG A 36 -2.178 3.244 -12.728 1.00 1.00 O +ATOM 518 CB ARG A 36 -5.213 1.959 -13.776 1.00 1.00 C +ATOM 519 CG ARG A 36 -6.586 1.481 -13.297 1.00 1.00 C +ATOM 520 CD ARG A 36 -7.708 2.231 -14.018 1.00 1.00 C +ATOM 521 NE ARG A 36 -9.010 1.923 -13.385 1.00 1.00 N +ATOM 522 CZ ARG A 36 -9.534 2.617 -12.366 1.00 1.00 C +ATOM 523 NH1 ARG A 36 -8.870 3.665 -11.857 1.00 1.00 N +ATOM 524 NH2 ARG A 36 -10.721 2.264 -11.855 1.00 1.00 N +ATOM 525 H ARG A 36 -4.064 4.512 -13.890 1.00 1.00 H +ATOM 526 HA ARG A 36 -5.081 2.786 -11.780 1.00 1.00 H +ATOM 527 HB2 ARG A 36 -5.320 2.508 -14.712 1.00 1.00 H +ATOM 528 HB3 ARG A 36 -4.576 1.098 -13.983 1.00 1.00 H +ATOM 529 HG2 ARG A 36 -6.685 0.412 -13.477 1.00 1.00 H +ATOM 530 HG3 ARG A 36 -6.673 1.634 -12.222 1.00 1.00 H +ATOM 531 HD2 ARG A 36 -7.522 3.305 -13.981 1.00 1.00 H +ATOM 532 HD3 ARG A 36 -7.730 1.949 -15.070 1.00 1.00 H +ATOM 533 HE ARG A 36 -9.532 1.146 -13.739 1.00 1.00 H +ATOM 534 HH11 ARG A 36 -7.984 3.927 -12.239 1.00 1.00 H +ATOM 535 HH12 ARG A 36 -9.260 4.183 -11.097 1.00 1.00 H +ATOM 536 HH21 ARG A 36 -11.216 1.483 -12.234 1.00 1.00 H +ATOM 537 HH22 ARG A 36 -11.112 2.783 -11.094 1.00 1.00 H +ATOM 538 N GLU A 37 -2.901 1.158 -12.242 1.00 1.00 N +ATOM 539 CA GLU A 37 -1.564 0.619 -12.053 1.00 1.00 C +ATOM 540 C GLU A 37 -1.367 -0.624 -12.924 1.00 1.00 C +ATOM 541 O GLU A 37 -2.282 -1.432 -13.077 1.00 1.00 O +ATOM 542 CB GLU A 37 -1.304 0.301 -10.580 1.00 1.00 C +ATOM 543 CG GLU A 37 -1.321 1.575 -9.733 1.00 1.00 C +ATOM 544 CD GLU A 37 -0.209 1.552 -8.683 1.00 1.00 C +ATOM 545 OE1 GLU A 37 0.968 1.542 -9.104 1.00 1.00 O +ATOM 546 OE2 GLU A 37 -0.561 1.545 -7.485 1.00 1.00 O +ATOM 547 H GLU A 37 -3.644 0.502 -12.108 1.00 1.00 H +ATOM 548 HA GLU A 37 -0.886 1.408 -12.375 1.00 1.00 H +ATOM 549 HB2 GLU A 37 -2.060 -0.394 -10.214 1.00 1.00 H +ATOM 550 HB3 GLU A 37 -0.338 -0.195 -10.476 1.00 1.00 H +ATOM 551 HG2 GLU A 37 -1.199 2.446 -10.378 1.00 1.00 H +ATOM 552 HG3 GLU A 37 -2.288 1.676 -9.240 1.00 1.00 H +ATOM 553 N SER A 38 -0.167 -0.736 -13.476 1.00 1.00 N +ATOM 554 CA SER A 38 0.163 -1.865 -14.328 1.00 1.00 C +ATOM 555 C SER A 38 -0.023 -3.174 -13.557 1.00 1.00 C +ATOM 556 O SER A 38 0.558 -3.357 -12.488 1.00 1.00 O +ATOM 557 CB SER A 38 1.595 -1.758 -14.854 1.00 1.00 C +ATOM 558 OG SER A 38 1.676 -2.055 -16.245 1.00 1.00 O +ATOM 559 H SER A 38 0.572 -0.073 -13.347 1.00 1.00 H +ATOM 560 HA SER A 38 -0.535 -1.810 -15.162 1.00 1.00 H +ATOM 561 HB2 SER A 38 1.973 -0.752 -14.675 1.00 1.00 H +ATOM 562 HB3 SER A 38 2.238 -2.443 -14.300 1.00 1.00 H +ATOM 563 HG SER A 38 0.779 -2.335 -16.588 1.00 1.00 H +ATOM 564 N GLU A 39 -0.834 -4.050 -14.129 1.00 1.00 N +ATOM 565 CA GLU A 39 -1.105 -5.337 -13.509 1.00 1.00 C +ATOM 566 C GLU A 39 -0.037 -6.355 -13.915 1.00 1.00 C +ATOM 567 O GLU A 39 -0.361 -7.471 -14.319 1.00 1.00 O +ATOM 568 CB GLU A 39 -2.505 -5.837 -13.872 1.00 1.00 C +ATOM 569 CG GLU A 39 -3.575 -5.108 -13.057 1.00 1.00 C +ATOM 570 CD GLU A 39 -4.675 -4.557 -13.968 1.00 1.00 C +ATOM 571 OE1 GLU A 39 -4.328 -4.161 -15.103 1.00 1.00 O +ATOM 572 OE2 GLU A 39 -5.839 -4.545 -13.509 1.00 1.00 O +ATOM 573 H GLU A 39 -1.304 -3.894 -14.999 1.00 1.00 H +ATOM 574 HA GLU A 39 -1.056 -5.157 -12.437 1.00 1.00 H +ATOM 575 HB2 GLU A 39 -2.686 -5.686 -14.935 1.00 1.00 H +ATOM 576 HB3 GLU A 39 -2.572 -6.909 -13.687 1.00 1.00 H +ATOM 577 HG2 GLU A 39 -4.010 -5.789 -12.327 1.00 1.00 H +ATOM 578 HG3 GLU A 39 -3.118 -4.290 -12.500 1.00 1.00 H +ATOM 579 N SER A 40 1.213 -5.935 -13.793 1.00 1.00 N +ATOM 580 CA SER A 40 2.330 -6.797 -14.141 1.00 1.00 C +ATOM 581 C SER A 40 3.649 -6.132 -13.739 1.00 1.00 C +ATOM 582 O SER A 40 4.576 -6.805 -13.293 1.00 1.00 O +ATOM 583 CB SER A 40 2.332 -7.119 -15.636 1.00 1.00 C +ATOM 584 OG SER A 40 3.416 -7.971 -15.997 1.00 1.00 O +ATOM 585 H SER A 40 1.468 -5.025 -13.463 1.00 1.00 H +ATOM 586 HA SER A 40 2.176 -7.714 -13.573 1.00 1.00 H +ATOM 587 HB2 SER A 40 1.390 -7.597 -15.905 1.00 1.00 H +ATOM 588 HB3 SER A 40 2.394 -6.191 -16.206 1.00 1.00 H +ATOM 589 HG SER A 40 3.188 -8.479 -16.828 1.00 1.00 H +ATOM 590 N SER A 41 3.690 -4.818 -13.912 1.00 1.00 N +ATOM 591 CA SER A 41 4.879 -4.056 -13.574 1.00 1.00 C +ATOM 592 C SER A 41 4.610 -3.184 -12.346 1.00 1.00 C +ATOM 593 O SER A 41 3.994 -2.125 -12.454 1.00 1.00 O +ATOM 594 CB SER A 41 5.331 -3.189 -14.751 1.00 1.00 C +ATOM 595 OG SER A 41 4.237 -2.788 -15.570 1.00 1.00 O +ATOM 596 H SER A 41 2.930 -4.279 -14.275 1.00 1.00 H +ATOM 597 HA SER A 41 5.645 -4.799 -13.355 1.00 1.00 H +ATOM 598 HB2 SER A 41 5.845 -2.306 -14.374 1.00 1.00 H +ATOM 599 HB3 SER A 41 6.050 -3.743 -15.354 1.00 1.00 H +ATOM 600 HG SER A 41 4.561 -2.202 -16.311 1.00 1.00 H +ATOM 601 N PRO A 42 5.096 -3.675 -11.174 1.00 1.00 N +ATOM 602 CA PRO A 42 4.915 -2.953 -9.927 1.00 1.00 C +ATOM 603 C PRO A 42 5.852 -1.746 -9.851 1.00 1.00 C +ATOM 604 O PRO A 42 6.493 -1.516 -8.826 1.00 1.00 O +ATOM 605 CB PRO A 42 5.177 -3.979 -8.837 1.00 1.00 C +ATOM 606 CG PRO A 42 5.946 -5.107 -9.503 1.00 1.00 C +ATOM 607 CD PRO A 42 5.830 -4.926 -11.007 1.00 1.00 C +ATOM 608 HA PRO A 42 3.986 -2.582 -9.873 1.00 1.00 H +ATOM 609 HB2 PRO A 42 5.753 -3.541 -8.020 1.00 1.00 H +ATOM 610 HB3 PRO A 42 4.243 -4.341 -8.408 1.00 1.00 H +ATOM 611 HG2 PRO A 42 6.992 -5.090 -9.196 1.00 1.00 H +ATOM 612 HG3 PRO A 42 5.542 -6.073 -9.203 1.00 1.00 H +ATOM 613 HD2 PRO A 42 6.813 -4.874 -11.477 1.00 1.00 H +ATOM 614 HD3 PRO A 42 5.300 -5.760 -11.466 1.00 1.00 H +ATOM 615 N GLY A 43 5.900 -1.004 -10.948 1.00 1.00 N +ATOM 616 CA GLY A 43 6.749 0.174 -11.018 1.00 1.00 C +ATOM 617 C GLY A 43 6.099 1.265 -11.871 1.00 1.00 C +ATOM 618 O GLY A 43 6.181 2.448 -11.541 1.00 1.00 O +ATOM 619 H GLY A 43 5.376 -1.198 -11.777 1.00 1.00 H +ATOM 620 HA2 GLY A 43 6.933 0.554 -10.014 1.00 1.00 H +ATOM 621 HA3 GLY A 43 7.716 -0.096 -11.440 1.00 1.00 H +ATOM 622 N GLN A 44 5.471 0.832 -12.953 1.00 1.00 N +ATOM 623 CA GLN A 44 4.808 1.758 -13.857 1.00 1.00 C +ATOM 624 C GLN A 44 3.294 1.716 -13.642 1.00 1.00 C +ATOM 625 O GLN A 44 2.749 0.691 -13.235 1.00 1.00 O +ATOM 626 CB GLN A 44 5.164 1.452 -15.313 1.00 1.00 C +ATOM 627 CG GLN A 44 5.581 -0.010 -15.481 1.00 1.00 C +ATOM 628 CD GLN A 44 7.017 -0.231 -15.001 1.00 1.00 C +ATOM 629 OE1 GLN A 44 7.268 -0.616 -13.870 1.00 1.00 O +ATOM 630 NE2 GLN A 44 7.941 0.034 -15.918 1.00 1.00 N +ATOM 631 H GLN A 44 5.409 -0.132 -13.216 1.00 1.00 H +ATOM 632 HA GLN A 44 5.192 2.743 -13.594 1.00 1.00 H +ATOM 633 HB2 GLN A 44 4.308 1.667 -15.953 1.00 1.00 H +ATOM 634 HB3 GLN A 44 5.976 2.105 -15.637 1.00 1.00 H +ATOM 635 HG2 GLN A 44 4.903 -0.652 -14.919 1.00 1.00 H +ATOM 636 HG3 GLN A 44 5.496 -0.298 -16.529 1.00 1.00 H +ATOM 637 HE21 GLN A 44 7.668 0.348 -16.829 1.00 1.00 H +ATOM 638 HE22 GLN A 44 8.911 -0.079 -15.700 1.00 1.00 H +ATOM 639 N ARG A 45 2.657 2.842 -13.927 1.00 1.00 N +ATOM 640 CA ARG A 45 1.217 2.948 -13.771 1.00 1.00 C +ATOM 641 C ARG A 45 0.555 3.230 -15.122 1.00 1.00 C +ATOM 642 O ARG A 45 1.221 3.224 -16.156 1.00 1.00 O +ATOM 643 CB ARG A 45 0.848 4.062 -12.789 1.00 1.00 C +ATOM 644 CG ARG A 45 0.947 3.572 -11.343 1.00 1.00 C +ATOM 645 CD ARG A 45 2.353 3.793 -10.782 1.00 1.00 C +ATOM 646 NE ARG A 45 2.296 3.910 -9.308 1.00 1.00 N +ATOM 647 CZ ARG A 45 3.225 4.532 -8.569 1.00 1.00 C +ATOM 648 NH1 ARG A 45 4.287 5.097 -9.161 1.00 1.00 N +ATOM 649 NH2 ARG A 45 3.092 4.590 -7.237 1.00 1.00 N +ATOM 650 H ARG A 45 3.108 3.671 -14.258 1.00 1.00 H +ATOM 651 HA ARG A 45 0.907 1.979 -13.378 1.00 1.00 H +ATOM 652 HB2 ARG A 45 1.514 4.913 -12.933 1.00 1.00 H +ATOM 653 HB3 ARG A 45 -0.163 4.410 -12.991 1.00 1.00 H +ATOM 654 HG2 ARG A 45 0.218 4.099 -10.726 1.00 1.00 H +ATOM 655 HG3 ARG A 45 0.695 2.512 -11.297 1.00 1.00 H +ATOM 656 HD2 ARG A 45 3.000 2.963 -11.065 1.00 1.00 H +ATOM 657 HD3 ARG A 45 2.786 4.695 -11.212 1.00 1.00 H +ATOM 658 HE ARG A 45 1.518 3.500 -8.834 1.00 1.00 H +ATOM 659 HH11 ARG A 45 4.386 5.053 -10.155 1.00 1.00 H +ATOM 660 HH12 ARG A 45 4.980 5.561 -8.609 1.00 1.00 H +ATOM 661 HH21 ARG A 45 2.300 4.169 -6.794 1.00 1.00 H +ATOM 662 HH22 ARG A 45 3.784 5.054 -6.684 1.00 1.00 H +ATOM 663 N SER A 46 -0.746 3.470 -15.069 1.00 1.00 N +ATOM 664 CA SER A 46 -1.505 3.754 -16.276 1.00 1.00 C +ATOM 665 C SER A 46 -2.401 4.975 -16.056 1.00 1.00 C +ATOM 666 O SER A 46 -2.598 5.409 -14.922 1.00 1.00 O +ATOM 667 CB SER A 46 -2.347 2.546 -16.693 1.00 1.00 C +ATOM 668 OG SER A 46 -2.472 1.592 -15.642 1.00 1.00 O +ATOM 669 H SER A 46 -1.280 3.473 -14.223 1.00 1.00 H +ATOM 670 HA SER A 46 -0.760 3.959 -17.044 1.00 1.00 H +ATOM 671 HB2 SER A 46 -3.339 2.883 -16.996 1.00 1.00 H +ATOM 672 HB3 SER A 46 -1.893 2.070 -17.562 1.00 1.00 H +ATOM 673 HG SER A 46 -3.042 1.964 -14.909 1.00 1.00 H +ATOM 674 N ILE A 47 -2.918 5.495 -17.159 1.00 1.00 N +ATOM 675 CA ILE A 47 -3.788 6.657 -17.101 1.00 1.00 C +ATOM 676 C ILE A 47 -4.982 6.442 -18.034 1.00 1.00 C +ATOM 677 O ILE A 47 -4.809 6.233 -19.233 1.00 1.00 O +ATOM 678 CB ILE A 47 -2.998 7.933 -17.400 1.00 1.00 C +ATOM 679 CG1 ILE A 47 -2.930 8.836 -16.167 1.00 1.00 C +ATOM 680 CG2 ILE A 47 -3.573 8.662 -18.615 1.00 1.00 C +ATOM 681 CD1 ILE A 47 -1.560 8.742 -15.492 1.00 1.00 C +ATOM 682 H ILE A 47 -2.753 5.135 -18.077 1.00 1.00 H +ATOM 683 HA ILE A 47 -4.157 6.739 -16.079 1.00 1.00 H +ATOM 684 HB ILE A 47 -1.974 7.651 -17.648 1.00 1.00 H +ATOM 685 HG12 ILE A 47 -3.125 9.869 -16.459 1.00 1.00 H +ATOM 686 HG13 ILE A 47 -3.709 8.552 -15.460 1.00 1.00 H +ATOM 687 HG21 ILE A 47 -3.535 8.006 -19.485 1.00 1.00 H +ATOM 688 HG22 ILE A 47 -4.607 8.942 -18.416 1.00 1.00 H +ATOM 689 HG23 ILE A 47 -2.986 9.560 -18.812 1.00 1.00 H +ATOM 690 HD11 ILE A 47 -1.255 7.698 -15.436 1.00 1.00 H +ATOM 691 HD12 ILE A 47 -0.829 9.305 -16.074 1.00 1.00 H +ATOM 692 HD13 ILE A 47 -1.622 9.158 -14.486 1.00 1.00 H +ATOM 693 N SER A 48 -6.168 6.500 -17.446 1.00 1.00 N +ATOM 694 CA SER A 48 -7.392 6.315 -18.207 1.00 1.00 C +ATOM 695 C SER A 48 -8.252 7.577 -18.133 1.00 1.00 C +ATOM 696 O SER A 48 -8.503 8.099 -17.048 1.00 1.00 O +ATOM 697 CB SER A 48 -8.180 5.105 -17.699 1.00 1.00 C +ATOM 698 OG SER A 48 -8.342 4.111 -18.707 1.00 1.00 O +ATOM 699 H SER A 48 -6.300 6.671 -16.468 1.00 1.00 H +ATOM 700 HA SER A 48 -7.068 6.132 -19.232 1.00 1.00 H +ATOM 701 HB2 SER A 48 -7.664 4.672 -16.842 1.00 1.00 H +ATOM 702 HB3 SER A 48 -9.159 5.432 -17.350 1.00 1.00 H +ATOM 703 HG SER A 48 -8.529 3.224 -18.286 1.00 1.00 H +ATOM 704 N LEU A 49 -8.678 8.034 -19.301 1.00 1.00 N +ATOM 705 CA LEU A 49 -9.504 9.227 -19.383 1.00 1.00 C +ATOM 706 C LEU A 49 -10.661 8.976 -20.353 1.00 1.00 C +ATOM 707 O LEU A 49 -10.587 8.079 -21.193 1.00 1.00 O +ATOM 708 CB LEU A 49 -8.653 10.446 -19.742 1.00 1.00 C +ATOM 709 CG LEU A 49 -9.339 11.516 -20.593 1.00 1.00 C +ATOM 710 CD1 LEU A 49 -10.171 12.457 -19.723 1.00 1.00 C +ATOM 711 CD2 LEU A 49 -8.321 12.274 -21.446 1.00 1.00 C +ATOM 712 H LEU A 49 -8.469 7.604 -20.180 1.00 1.00 H +ATOM 713 HA LEU A 49 -9.919 9.405 -18.390 1.00 1.00 H +ATOM 714 HB2 LEU A 49 -8.309 10.909 -18.819 1.00 1.00 H +ATOM 715 HB3 LEU A 49 -7.767 10.100 -20.274 1.00 1.00 H +ATOM 716 HG LEU A 49 -10.027 11.019 -21.278 1.00 1.00 H +ATOM 717 HD11 LEU A 49 -10.563 11.909 -18.865 1.00 1.00 H +ATOM 718 HD12 LEU A 49 -9.546 13.280 -19.374 1.00 1.00 H +ATOM 719 HD13 LEU A 49 -11.000 12.856 -20.308 1.00 1.00 H +ATOM 720 HD21 LEU A 49 -7.606 11.569 -21.872 1.00 1.00 H +ATOM 721 HD22 LEU A 49 -8.839 12.797 -22.251 1.00 1.00 H +ATOM 722 HD23 LEU A 49 -7.793 12.997 -20.825 1.00 1.00 H +ATOM 723 N ARG A 50 -11.701 9.783 -20.206 1.00 1.00 N +ATOM 724 CA ARG A 50 -12.870 9.659 -21.059 1.00 1.00 C +ATOM 725 C ARG A 50 -13.388 11.044 -21.453 1.00 1.00 C +ATOM 726 O ARG A 50 -13.320 11.985 -20.664 1.00 1.00 O +ATOM 727 CB ARG A 50 -13.988 8.887 -20.353 1.00 1.00 C +ATOM 728 CG ARG A 50 -15.149 8.608 -21.309 1.00 1.00 C +ATOM 729 CD ARG A 50 -16.469 9.129 -20.735 1.00 1.00 C +ATOM 730 NE ARG A 50 -17.414 8.006 -20.541 1.00 1.00 N +ATOM 731 CZ ARG A 50 -17.923 7.273 -21.540 1.00 1.00 C +ATOM 732 NH1 ARG A 50 -17.582 7.537 -22.808 1.00 1.00 N +ATOM 733 NH2 ARG A 50 -18.774 6.273 -21.270 1.00 1.00 N +ATOM 734 H ARG A 50 -11.753 10.509 -19.519 1.00 1.00 H +ATOM 735 HA ARG A 50 -12.522 9.108 -21.931 1.00 1.00 H +ATOM 736 HB2 ARG A 50 -13.596 7.946 -19.967 1.00 1.00 H +ATOM 737 HB3 ARG A 50 -14.345 9.458 -19.497 1.00 1.00 H +ATOM 738 HG2 ARG A 50 -14.955 9.082 -22.271 1.00 1.00 H +ATOM 739 HG3 ARG A 50 -15.225 7.537 -21.492 1.00 1.00 H +ATOM 740 HD2 ARG A 50 -16.288 9.631 -19.785 1.00 1.00 H +ATOM 741 HD3 ARG A 50 -16.901 9.868 -21.409 1.00 1.00 H +ATOM 742 HE ARG A 50 -17.689 7.782 -19.607 1.00 1.00 H +ATOM 743 HH11 ARG A 50 -16.947 8.284 -23.009 1.00 1.00 H +ATOM 744 HH12 ARG A 50 -17.962 6.989 -23.553 1.00 1.00 H +ATOM 745 HH21 ARG A 50 -19.029 6.075 -20.324 1.00 1.00 H +ATOM 746 HH22 ARG A 50 -19.154 5.725 -22.015 1.00 1.00 H +ATOM 747 N TYR A 51 -13.894 11.126 -22.674 1.00 1.00 N +ATOM 748 CA TYR A 51 -14.424 12.379 -23.183 1.00 1.00 C +ATOM 749 C TYR A 51 -15.902 12.240 -23.557 1.00 1.00 C +ATOM 750 O TYR A 51 -16.771 12.260 -22.687 1.00 1.00 O +ATOM 751 CB TYR A 51 -13.618 12.697 -24.444 1.00 1.00 C +ATOM 752 CG TYR A 51 -13.641 14.174 -24.842 1.00 1.00 C +ATOM 753 CD1 TYR A 51 -14.846 14.825 -25.013 1.00 1.00 C +ATOM 754 CD2 TYR A 51 -12.456 14.856 -25.031 1.00 1.00 C +ATOM 755 CE1 TYR A 51 -14.867 16.215 -25.387 1.00 1.00 C +ATOM 756 CE2 TYR A 51 -12.477 16.245 -25.405 1.00 1.00 C +ATOM 757 CZ TYR A 51 -13.681 16.857 -25.565 1.00 1.00 C +ATOM 758 OH TYR A 51 -13.701 18.170 -25.919 1.00 1.00 O +ATOM 759 H TYR A 51 -13.948 10.356 -23.311 1.00 1.00 H +ATOM 760 HA TYR A 51 -14.325 13.130 -22.398 1.00 1.00 H +ATOM 761 HB2 TYR A 51 -12.584 12.387 -24.291 1.00 1.00 H +ATOM 762 HB3 TYR A 51 -14.009 12.103 -25.271 1.00 1.00 H +ATOM 763 HD1 TYR A 51 -15.782 14.286 -24.865 1.00 1.00 H +ATOM 764 HD2 TYR A 51 -11.504 14.341 -24.895 1.00 1.00 H +ATOM 765 HE1 TYR A 51 -15.811 16.740 -25.526 1.00 1.00 H +ATOM 766 HE2 TYR A 51 -11.548 16.796 -25.557 1.00 1.00 H +ATOM 767 HH TYR A 51 -14.235 18.290 -26.755 1.00 1.00 H +ATOM 768 N GLU A 52 -16.140 12.102 -24.853 1.00 1.00 N +ATOM 769 CA GLU A 52 -17.498 11.958 -25.352 1.00 1.00 C +ATOM 770 C GLU A 52 -18.074 10.603 -24.942 1.00 1.00 C +ATOM 771 O GLU A 52 -18.487 10.421 -23.798 1.00 1.00 O +ATOM 772 CB GLU A 52 -17.543 12.136 -26.872 1.00 1.00 C +ATOM 773 CG GLU A 52 -17.570 13.619 -27.249 1.00 1.00 C +ATOM 774 CD GLU A 52 -18.837 14.297 -26.723 1.00 1.00 C +ATOM 775 OE1 GLU A 52 -19.848 14.257 -27.459 1.00 1.00 O +ATOM 776 OE2 GLU A 52 -18.767 14.838 -25.599 1.00 1.00 O +ATOM 777 H GLU A 52 -15.428 12.087 -25.554 1.00 1.00 H +ATOM 778 HA GLU A 52 -18.065 12.760 -24.881 1.00 1.00 H +ATOM 779 HB2 GLU A 52 -16.674 11.658 -27.324 1.00 1.00 H +ATOM 780 HB3 GLU A 52 -18.426 11.641 -27.273 1.00 1.00 H +ATOM 781 HG2 GLU A 52 -16.691 14.118 -26.841 1.00 1.00 H +ATOM 782 HG3 GLU A 52 -17.520 13.723 -28.332 1.00 1.00 H +ATOM 783 N GLY A 53 -18.083 9.685 -25.898 1.00 1.00 N +ATOM 784 CA GLY A 53 -18.604 8.351 -25.650 1.00 1.00 C +ATOM 785 C GLY A 53 -17.526 7.291 -25.886 1.00 1.00 C +ATOM 786 O GLY A 53 -17.806 6.230 -26.443 1.00 1.00 O +ATOM 787 H GLY A 53 -17.745 9.842 -26.825 1.00 1.00 H +ATOM 788 HA2 GLY A 53 -18.966 8.283 -24.624 1.00 1.00 H +ATOM 789 HA3 GLY A 53 -19.456 8.162 -26.303 1.00 1.00 H +ATOM 790 N ARG A 54 -16.317 7.614 -25.452 1.00 1.00 N +ATOM 791 CA ARG A 54 -15.196 6.703 -25.610 1.00 1.00 C +ATOM 792 C ARG A 54 -14.203 6.878 -24.460 1.00 1.00 C +ATOM 793 O ARG A 54 -14.036 7.981 -23.942 1.00 1.00 O +ATOM 794 CB ARG A 54 -14.474 6.941 -26.939 1.00 1.00 C +ATOM 795 CG ARG A 54 -15.356 6.534 -28.122 1.00 1.00 C +ATOM 796 CD ARG A 54 -15.424 5.012 -28.257 1.00 1.00 C +ATOM 797 NE ARG A 54 -15.247 4.621 -29.674 1.00 1.00 N +ATOM 798 CZ ARG A 54 -14.056 4.440 -30.259 1.00 1.00 C +ATOM 799 NH1 ARG A 54 -12.929 4.612 -29.554 1.00 1.00 N +ATOM 800 NH2 ARG A 54 -13.990 4.086 -31.550 1.00 1.00 N +ATOM 801 H ARG A 54 -16.097 8.479 -25.000 1.00 1.00 H +ATOM 802 HA ARG A 54 -15.642 5.707 -25.595 1.00 1.00 H +ATOM 803 HB2 ARG A 54 -14.205 7.993 -27.025 1.00 1.00 H +ATOM 804 HB3 ARG A 54 -13.546 6.371 -26.959 1.00 1.00 H +ATOM 805 HG2 ARG A 54 -16.360 6.937 -27.986 1.00 1.00 H +ATOM 806 HG3 ARG A 54 -14.960 6.968 -29.039 1.00 1.00 H +ATOM 807 HD2 ARG A 54 -14.650 4.549 -27.643 1.00 1.00 H +ATOM 808 HD3 ARG A 54 -16.383 4.648 -27.887 1.00 1.00 H +ATOM 809 HE ARG A 54 -16.067 4.485 -30.228 1.00 1.00 H +ATOM 810 HH11 ARG A 54 -12.978 4.876 -28.591 1.00 1.00 H +ATOM 811 HH12 ARG A 54 -12.040 4.475 -29.992 1.00 1.00 H +ATOM 812 HH21 ARG A 54 -14.833 3.958 -32.076 1.00 1.00 H +ATOM 813 HH22 ARG A 54 -13.102 3.950 -31.988 1.00 1.00 H +ATOM 814 N VAL A 55 -13.570 5.772 -24.092 1.00 1.00 N +ATOM 815 CA VAL A 55 -12.598 5.790 -23.013 1.00 1.00 C +ATOM 816 C VAL A 55 -11.190 5.666 -23.598 1.00 1.00 C +ATOM 817 O VAL A 55 -10.957 4.861 -24.497 1.00 1.00 O +ATOM 818 CB VAL A 55 -12.923 4.692 -21.998 1.00 1.00 C +ATOM 819 CG1 VAL A 55 -11.884 3.570 -22.053 1.00 1.00 C +ATOM 820 CG2 VAL A 55 -13.035 5.267 -20.585 1.00 1.00 C +ATOM 821 H VAL A 55 -13.712 4.879 -24.519 1.00 1.00 H +ATOM 822 HA VAL A 55 -12.685 6.753 -22.509 1.00 1.00 H +ATOM 823 HB VAL A 55 -13.890 4.267 -22.264 1.00 1.00 H +ATOM 824 HG11 VAL A 55 -11.658 3.335 -23.094 1.00 1.00 H +ATOM 825 HG12 VAL A 55 -10.974 3.893 -21.548 1.00 1.00 H +ATOM 826 HG13 VAL A 55 -12.280 2.683 -21.558 1.00 1.00 H +ATOM 827 HG21 VAL A 55 -13.753 6.087 -20.582 1.00 1.00 H +ATOM 828 HG22 VAL A 55 -13.372 4.487 -19.901 1.00 1.00 H +ATOM 829 HG23 VAL A 55 -12.060 5.636 -20.265 1.00 1.00 H +ATOM 830 N TYR A 56 -10.288 6.477 -23.063 1.00 1.00 N +ATOM 831 CA TYR A 56 -8.909 6.467 -23.522 1.00 1.00 C +ATOM 832 C TYR A 56 -7.992 5.808 -22.490 1.00 1.00 C +ATOM 833 O TYR A 56 -8.113 6.066 -21.292 1.00 1.00 O +ATOM 834 CB TYR A 56 -8.507 7.936 -23.678 1.00 1.00 C +ATOM 835 CG TYR A 56 -9.379 8.719 -24.661 1.00 1.00 C +ATOM 836 CD1 TYR A 56 -9.798 8.127 -25.835 1.00 1.00 C +ATOM 837 CD2 TYR A 56 -9.748 10.018 -24.373 1.00 1.00 C +ATOM 838 CE1 TYR A 56 -10.619 8.864 -26.761 1.00 1.00 C +ATOM 839 CE2 TYR A 56 -10.569 10.754 -25.299 1.00 1.00 C +ATOM 840 CZ TYR A 56 -10.964 10.141 -26.447 1.00 1.00 C +ATOM 841 OH TYR A 56 -11.739 10.837 -27.321 1.00 1.00 O +ATOM 842 H TYR A 56 -10.486 7.129 -22.332 1.00 1.00 H +ATOM 843 HA TYR A 56 -8.867 5.900 -24.450 1.00 1.00 H +ATOM 844 HB2 TYR A 56 -8.553 8.420 -22.702 1.00 1.00 H +ATOM 845 HB3 TYR A 56 -7.470 7.985 -24.010 1.00 1.00 H +ATOM 846 HD1 TYR A 56 -9.506 7.101 -26.062 1.00 1.00 H +ATOM 847 HD2 TYR A 56 -9.418 10.485 -23.447 1.00 1.00 H +ATOM 848 HE1 TYR A 56 -10.956 8.407 -27.692 1.00 1.00 H +ATOM 849 HE2 TYR A 56 -10.868 11.780 -25.085 1.00 1.00 H +ATOM 850 HH TYR A 56 -11.884 10.300 -28.152 1.00 1.00 H +ATOM 851 N HIS A 57 -7.098 4.968 -22.990 1.00 1.00 N +ATOM 852 CA HIS A 57 -6.162 4.269 -22.126 1.00 1.00 C +ATOM 853 C HIS A 57 -4.731 4.656 -22.502 1.00 1.00 C +ATOM 854 O HIS A 57 -4.208 4.204 -23.520 1.00 1.00 O +ATOM 855 CB HIS A 57 -6.402 2.760 -22.176 1.00 1.00 C +ATOM 856 CG HIS A 57 -7.845 2.359 -21.991 1.00 1.00 C +ATOM 857 ND1 HIS A 57 -8.406 2.131 -20.746 1.00 1.00 N +ATOM 858 CD2 HIS A 57 -8.837 2.148 -22.904 1.00 1.00 C +ATOM 859 CE1 HIS A 57 -9.677 1.800 -20.914 1.00 1.00 C +ATOM 860 NE2 HIS A 57 -9.942 1.810 -22.251 1.00 1.00 N +ATOM 861 H HIS A 57 -7.008 4.764 -23.966 1.00 1.00 H +ATOM 862 HA HIS A 57 -6.365 4.604 -21.110 1.00 1.00 H +ATOM 863 HB2 HIS A 57 -6.050 2.377 -23.135 1.00 1.00 H +ATOM 864 HB3 HIS A 57 -5.799 2.280 -21.403 1.00 1.00 H +ATOM 865 HD1 HIS A 57 -7.931 2.207 -19.869 1.00 1.00 H +ATOM 866 HD2 HIS A 57 -8.737 2.242 -23.984 1.00 1.00 H +ATOM 867 HE1 HIS A 57 -10.387 1.561 -20.123 1.00 1.00 H +ATOM 868 N TYR A 58 -4.137 5.488 -21.660 1.00 1.00 N +ATOM 869 CA TYR A 58 -2.775 5.942 -21.890 1.00 1.00 C +ATOM 870 C TYR A 58 -1.856 5.522 -20.742 1.00 1.00 C +ATOM 871 O TYR A 58 -1.700 6.257 -19.767 1.00 1.00 O +ATOM 872 CB TYR A 58 -2.842 7.469 -21.943 1.00 1.00 C +ATOM 873 CG TYR A 58 -2.224 8.076 -23.204 1.00 1.00 C +ATOM 874 CD1 TYR A 58 -2.885 7.976 -24.412 1.00 1.00 C +ATOM 875 CD2 TYR A 58 -1.008 8.723 -23.134 1.00 1.00 C +ATOM 876 CE1 TYR A 58 -2.304 8.547 -25.598 1.00 1.00 C +ATOM 877 CE2 TYR A 58 -0.427 9.295 -24.321 1.00 1.00 C +ATOM 878 CZ TYR A 58 -1.104 9.179 -25.495 1.00 1.00 C +ATOM 879 OH TYR A 58 -0.556 9.719 -26.617 1.00 1.00 O +ATOM 880 H TYR A 58 -4.568 5.851 -20.834 1.00 1.00 H +ATOM 881 HA TYR A 58 -2.421 5.484 -22.814 1.00 1.00 H +ATOM 882 HB2 TYR A 58 -3.884 7.779 -21.875 1.00 1.00 H +ATOM 883 HB3 TYR A 58 -2.332 7.874 -21.068 1.00 1.00 H +ATOM 884 HD1 TYR A 58 -3.846 7.465 -24.467 1.00 1.00 H +ATOM 885 HD2 TYR A 58 -0.487 8.803 -22.180 1.00 1.00 H +ATOM 886 HE1 TYR A 58 -2.815 8.476 -26.560 1.00 1.00 H +ATOM 887 HE2 TYR A 58 0.532 9.809 -24.279 1.00 1.00 H +ATOM 888 HH TYR A 58 0.353 9.332 -26.773 1.00 1.00 H +ATOM 889 N ARG A 59 -1.272 4.343 -20.893 1.00 1.00 N +ATOM 890 CA ARG A 59 -0.372 3.817 -19.881 1.00 1.00 C +ATOM 891 C ARG A 59 0.782 4.791 -19.638 1.00 1.00 C +ATOM 892 O ARG A 59 1.054 5.655 -20.471 1.00 1.00 O +ATOM 893 CB ARG A 59 0.196 2.459 -20.300 1.00 1.00 C +ATOM 894 CG ARG A 59 0.946 2.565 -21.629 1.00 1.00 C +ATOM 895 CD ARG A 59 1.180 1.181 -22.238 1.00 1.00 C +ATOM 896 NE ARG A 59 0.735 1.170 -23.650 1.00 1.00 N +ATOM 897 CZ ARG A 59 -0.548 1.174 -24.034 1.00 1.00 C +ATOM 898 NH1 ARG A 59 -1.522 1.191 -23.114 1.00 1.00 N +ATOM 899 NH2 ARG A 59 -0.859 1.161 -25.337 1.00 1.00 N +ATOM 900 H ARG A 59 -1.405 3.751 -21.689 1.00 1.00 H +ATOM 901 HA ARG A 59 -0.989 3.708 -18.988 1.00 1.00 H +ATOM 902 HB2 ARG A 59 0.868 2.087 -19.527 1.00 1.00 H +ATOM 903 HB3 ARG A 59 -0.614 1.735 -20.393 1.00 1.00 H +ATOM 904 HG2 ARG A 59 0.376 3.182 -22.325 1.00 1.00 H +ATOM 905 HG3 ARG A 59 1.902 3.063 -21.472 1.00 1.00 H +ATOM 906 HD2 ARG A 59 2.237 0.923 -22.180 1.00 1.00 H +ATOM 907 HD3 ARG A 59 0.634 0.427 -21.671 1.00 1.00 H +ATOM 908 HE ARG A 59 1.436 1.155 -24.362 1.00 1.00 H +ATOM 909 HH11 ARG A 59 -1.291 1.200 -22.140 1.00 1.00 H +ATOM 910 HH12 ARG A 59 -2.481 1.195 -23.400 1.00 1.00 H +ATOM 911 HH21 ARG A 59 -0.132 1.149 -26.024 1.00 1.00 H +ATOM 912 HH22 ARG A 59 -1.818 1.166 -25.624 1.00 1.00 H +ATOM 913 N ILE A 60 1.429 4.620 -18.495 1.00 1.00 N +ATOM 914 CA ILE A 60 2.547 5.474 -18.132 1.00 1.00 C +ATOM 915 C ILE A 60 3.770 5.085 -18.964 1.00 1.00 C +ATOM 916 O ILE A 60 3.845 3.971 -19.482 1.00 1.00 O +ATOM 917 CB ILE A 60 2.789 5.426 -16.622 1.00 1.00 C +ATOM 918 CG1 ILE A 60 1.518 5.785 -15.851 1.00 1.00 C +ATOM 919 CG2 ILE A 60 3.970 6.317 -16.229 1.00 1.00 C +ATOM 920 CD1 ILE A 60 1.290 7.298 -15.842 1.00 1.00 C +ATOM 921 H ILE A 60 1.200 3.914 -17.823 1.00 1.00 H +ATOM 922 HA ILE A 60 2.270 6.497 -18.382 1.00 1.00 H +ATOM 923 HB ILE A 60 3.053 4.403 -16.351 1.00 1.00 H +ATOM 924 HG12 ILE A 60 0.661 5.288 -16.303 1.00 1.00 H +ATOM 925 HG13 ILE A 60 1.595 5.420 -14.826 1.00 1.00 H +ATOM 926 HG21 ILE A 60 3.931 7.244 -16.799 1.00 1.00 H +ATOM 927 HG22 ILE A 60 3.915 6.542 -15.163 1.00 1.00 H +ATOM 928 HG23 ILE A 60 4.904 5.796 -16.442 1.00 1.00 H +ATOM 929 HD11 ILE A 60 2.251 7.810 -15.784 1.00 1.00 H +ATOM 930 HD12 ILE A 60 0.777 7.594 -16.758 1.00 1.00 H +ATOM 931 HD13 ILE A 60 0.681 7.569 -14.982 1.00 1.00 H +ATOM 932 N ASN A 61 4.699 6.024 -19.067 1.00 1.00 N +ATOM 933 CA ASN A 61 5.916 5.793 -19.827 1.00 1.00 C +ATOM 934 C ASN A 61 7.107 6.376 -19.065 1.00 1.00 C +ATOM 935 O ASN A 61 6.961 7.352 -18.330 1.00 1.00 O +ATOM 936 CB ASN A 61 5.848 6.479 -21.194 1.00 1.00 C +ATOM 937 CG ASN A 61 4.412 6.519 -21.718 1.00 1.00 C +ATOM 938 OD1 ASN A 61 3.692 5.533 -21.703 1.00 1.00 O +ATOM 939 ND2 ASN A 61 4.038 7.708 -22.181 1.00 1.00 N +ATOM 940 H ASN A 61 4.630 6.927 -18.643 1.00 1.00 H +ATOM 941 HA ASN A 61 5.982 4.712 -19.941 1.00 1.00 H +ATOM 942 HB2 ASN A 61 6.239 7.493 -21.115 1.00 1.00 H +ATOM 943 HB3 ASN A 61 6.485 5.947 -21.902 1.00 1.00 H +ATOM 944 HD21 ASN A 61 4.678 8.476 -22.164 1.00 1.00 H +ATOM 945 HD22 ASN A 61 3.114 7.834 -22.545 1.00 1.00 H +ATOM 946 N THR A 62 8.259 5.753 -19.265 1.00 1.00 N +ATOM 947 CA THR A 62 9.474 6.198 -18.604 1.00 1.00 C +ATOM 948 C THR A 62 10.450 6.787 -19.625 1.00 1.00 C +ATOM 949 O THR A 62 10.511 6.332 -20.766 1.00 1.00 O +ATOM 950 CB THR A 62 10.050 5.013 -17.826 1.00 1.00 C +ATOM 951 OG1 THR A 62 8.963 4.564 -17.022 1.00 1.00 O +ATOM 952 CG2 THR A 62 11.114 5.439 -16.813 1.00 1.00 C +ATOM 953 H THR A 62 8.369 4.960 -19.864 1.00 1.00 H +ATOM 954 HA THR A 62 9.215 6.997 -17.910 1.00 1.00 H +ATOM 955 HB THR A 62 10.441 4.254 -18.504 1.00 1.00 H +ATOM 956 HG1 THR A 62 9.229 4.561 -16.058 1.00 1.00 H +ATOM 957 HG21 THR A 62 11.850 6.074 -17.303 1.00 1.00 H +ATOM 958 HG22 THR A 62 10.641 5.990 -16.000 1.00 1.00 H +ATOM 959 HG23 THR A 62 11.608 4.555 -16.410 1.00 1.00 H +ATOM 960 N ALA A 63 11.191 7.790 -19.176 1.00 1.00 N +ATOM 961 CA ALA A 63 12.161 8.447 -20.036 1.00 1.00 C +ATOM 962 C ALA A 63 13.362 7.522 -20.241 1.00 1.00 C +ATOM 963 O ALA A 63 13.653 7.114 -21.364 1.00 1.00 O +ATOM 964 CB ALA A 63 12.559 9.791 -19.424 1.00 1.00 C +ATOM 965 H ALA A 63 11.135 8.154 -18.247 1.00 1.00 H +ATOM 966 HA ALA A 63 11.683 8.627 -21.000 1.00 1.00 H +ATOM 967 HB1 ALA A 63 11.718 10.197 -18.861 1.00 1.00 H +ATOM 968 HB2 ALA A 63 13.409 9.649 -18.757 1.00 1.00 H +ATOM 969 HB3 ALA A 63 12.831 10.486 -20.220 1.00 1.00 H +ATOM 970 N SER A 64 14.029 7.216 -19.137 1.00 1.00 N +ATOM 971 CA SER A 64 15.192 6.347 -19.181 1.00 1.00 C +ATOM 972 C SER A 64 15.774 6.179 -17.776 1.00 1.00 C +ATOM 973 O SER A 64 16.082 5.066 -17.356 1.00 1.00 O +ATOM 974 CB SER A 64 16.254 6.897 -20.133 1.00 1.00 C +ATOM 975 OG SER A 64 16.670 8.211 -19.770 1.00 1.00 O +ATOM 976 H SER A 64 13.785 7.552 -18.227 1.00 1.00 H +ATOM 977 HA SER A 64 14.826 5.393 -19.559 1.00 1.00 H +ATOM 978 HB2 SER A 64 17.119 6.231 -20.136 1.00 1.00 H +ATOM 979 HB3 SER A 64 15.859 6.911 -21.149 1.00 1.00 H +ATOM 980 HG SER A 64 17.514 8.166 -19.236 1.00 1.00 H +ATOM 981 N ASP A 65 15.906 7.303 -17.087 1.00 1.00 N +ATOM 982 CA ASP A 65 16.447 7.295 -15.738 1.00 1.00 C +ATOM 983 C ASP A 65 15.440 6.633 -14.794 1.00 1.00 C +ATOM 984 O ASP A 65 15.790 5.711 -14.058 1.00 1.00 O +ATOM 985 CB ASP A 65 16.696 8.719 -15.237 1.00 1.00 C +ATOM 986 CG ASP A 65 18.169 9.124 -15.144 1.00 1.00 C +ATOM 987 OD1 ASP A 65 18.854 8.569 -14.257 1.00 1.00 O +ATOM 988 OD2 ASP A 65 18.577 9.976 -15.962 1.00 1.00 O +ATOM 989 H ASP A 65 15.654 8.206 -17.436 1.00 1.00 H +ATOM 990 HA ASP A 65 17.382 6.742 -15.807 1.00 1.00 H +ATOM 991 HB2 ASP A 65 16.185 9.418 -15.900 1.00 1.00 H +ATOM 992 HB3 ASP A 65 16.243 8.827 -14.252 1.00 1.00 H +ATOM 993 N GLY A 66 14.212 7.127 -14.849 1.00 1.00 N +ATOM 994 CA GLY A 66 13.154 6.593 -14.008 1.00 1.00 C +ATOM 995 C GLY A 66 11.894 7.458 -14.097 1.00 1.00 C +ATOM 996 O GLY A 66 10.779 6.947 -14.006 1.00 1.00 O +ATOM 997 H GLY A 66 13.937 7.876 -15.451 1.00 1.00 H +ATOM 998 HA2 GLY A 66 12.921 5.573 -14.315 1.00 1.00 H +ATOM 999 HA3 GLY A 66 13.495 6.546 -12.974 1.00 1.00 H +ATOM 1000 N LYS A 67 12.116 8.752 -14.273 1.00 1.00 N +ATOM 1001 CA LYS A 67 11.014 9.692 -14.375 1.00 1.00 C +ATOM 1002 C LYS A 67 9.996 9.170 -15.391 1.00 1.00 C +ATOM 1003 O LYS A 67 10.371 8.649 -16.441 1.00 1.00 O +ATOM 1004 CB LYS A 67 11.534 11.097 -14.692 1.00 1.00 C +ATOM 1005 CG LYS A 67 12.727 11.452 -13.803 1.00 1.00 C +ATOM 1006 CD LYS A 67 13.981 11.707 -14.642 1.00 1.00 C +ATOM 1007 CE LYS A 67 14.027 13.155 -15.133 1.00 1.00 C +ATOM 1008 NZ LYS A 67 14.961 13.953 -14.307 1.00 1.00 N +ATOM 1009 H LYS A 67 13.026 9.158 -14.346 1.00 1.00 H +ATOM 1010 HA LYS A 67 10.534 9.740 -13.398 1.00 1.00 H +ATOM 1011 HB2 LYS A 67 11.828 11.150 -15.740 1.00 1.00 H +ATOM 1012 HB3 LYS A 67 10.736 11.826 -14.547 1.00 1.00 H +ATOM 1013 HG2 LYS A 67 12.493 12.338 -13.213 1.00 1.00 H +ATOM 1014 HG3 LYS A 67 12.914 10.643 -13.098 1.00 1.00 H +ATOM 1015 HD2 LYS A 67 14.870 11.492 -14.049 1.00 1.00 H +ATOM 1016 HD3 LYS A 67 13.995 11.029 -15.495 1.00 1.00 H +ATOM 1017 HE2 LYS A 67 14.340 13.182 -16.176 1.00 1.00 H +ATOM 1018 HE3 LYS A 67 13.030 13.592 -15.088 1.00 1.00 H +ATOM 1019 HZ1 LYS A 67 15.785 13.416 -14.123 1.00 1.00 H +ATOM 1020 HZ2 LYS A 67 15.210 14.787 -14.798 1.00 1.00 H +ATOM 1021 HZ3 LYS A 67 14.520 14.193 -13.442 1.00 1.00 H +ATOM 1022 N LEU A 68 8.727 9.328 -15.044 1.00 1.00 N +ATOM 1023 CA LEU A 68 7.652 8.879 -15.912 1.00 1.00 C +ATOM 1024 C LEU A 68 6.947 10.096 -16.516 1.00 1.00 C +ATOM 1025 O LEU A 68 6.321 10.874 -15.800 1.00 1.00 O +ATOM 1026 CB LEU A 68 6.712 7.936 -15.159 1.00 1.00 C +ATOM 1027 CG LEU A 68 7.377 6.767 -14.431 1.00 1.00 C +ATOM 1028 CD1 LEU A 68 7.838 7.182 -13.032 1.00 1.00 C +ATOM 1029 CD2 LEU A 68 6.453 5.548 -14.389 1.00 1.00 C +ATOM 1030 H LEU A 68 8.430 9.753 -14.189 1.00 1.00 H +ATOM 1031 HA LEU A 68 8.104 8.305 -16.721 1.00 1.00 H +ATOM 1032 HB2 LEU A 68 6.152 8.522 -14.428 1.00 1.00 H +ATOM 1033 HB3 LEU A 68 5.988 7.534 -15.867 1.00 1.00 H +ATOM 1034 HG LEU A 68 8.267 6.477 -14.990 1.00 1.00 H +ATOM 1035 HD11 LEU A 68 7.933 8.267 -12.988 1.00 1.00 H +ATOM 1036 HD12 LEU A 68 7.109 6.850 -12.295 1.00 1.00 H +ATOM 1037 HD13 LEU A 68 8.805 6.725 -12.818 1.00 1.00 H +ATOM 1038 HD21 LEU A 68 5.451 5.862 -14.096 1.00 1.00 H +ATOM 1039 HD22 LEU A 68 6.414 5.089 -15.377 1.00 1.00 H +ATOM 1040 HD23 LEU A 68 6.834 4.827 -13.668 1.00 1.00 H +ATOM 1041 N TYR A 69 7.075 10.223 -17.829 1.00 1.00 N +ATOM 1042 CA TYR A 69 6.459 11.331 -18.538 1.00 1.00 C +ATOM 1043 C TYR A 69 5.347 10.838 -19.465 1.00 1.00 C +ATOM 1044 O TYR A 69 5.399 9.714 -19.960 1.00 1.00 O +ATOM 1045 CB TYR A 69 7.569 11.961 -19.381 1.00 1.00 C +ATOM 1046 CG TYR A 69 7.860 11.216 -20.684 1.00 1.00 C +ATOM 1047 CD1 TYR A 69 6.931 11.221 -21.705 1.00 1.00 C +ATOM 1048 CD2 TYR A 69 9.051 10.537 -20.839 1.00 1.00 C +ATOM 1049 CE1 TYR A 69 7.204 10.520 -22.932 1.00 1.00 C +ATOM 1050 CE2 TYR A 69 9.325 9.834 -22.067 1.00 1.00 C +ATOM 1051 CZ TYR A 69 8.388 9.860 -23.053 1.00 1.00 C +ATOM 1052 OH TYR A 69 8.647 9.197 -24.212 1.00 1.00 O +ATOM 1053 H TYR A 69 7.588 9.585 -18.405 1.00 1.00 H +ATOM 1054 HA TYR A 69 6.032 12.007 -17.796 1.00 1.00 H +ATOM 1055 HB2 TYR A 69 7.294 12.990 -19.617 1.00 1.00 H +ATOM 1056 HB3 TYR A 69 8.482 12.005 -18.788 1.00 1.00 H +ATOM 1057 HD1 TYR A 69 5.990 11.758 -21.583 1.00 1.00 H +ATOM 1058 HD2 TYR A 69 9.784 10.531 -20.034 1.00 1.00 H +ATOM 1059 HE1 TYR A 69 6.480 10.517 -23.746 1.00 1.00 H +ATOM 1060 HE2 TYR A 69 10.262 9.293 -22.203 1.00 1.00 H +ATOM 1061 HH TYR A 69 8.620 9.833 -24.982 1.00 1.00 H +ATOM 1062 N VAL A 70 4.367 11.706 -19.673 1.00 1.00 N +ATOM 1063 CA VAL A 70 3.244 11.372 -20.534 1.00 1.00 C +ATOM 1064 C VAL A 70 3.516 11.895 -21.947 1.00 1.00 C +ATOM 1065 O VAL A 70 3.123 11.269 -22.930 1.00 1.00 O +ATOM 1066 CB VAL A 70 1.946 11.918 -19.935 1.00 1.00 C +ATOM 1067 CG1 VAL A 70 0.747 11.582 -20.824 1.00 1.00 C +ATOM 1068 CG2 VAL A 70 1.736 11.397 -18.512 1.00 1.00 C +ATOM 1069 H VAL A 70 4.331 12.619 -19.267 1.00 1.00 H +ATOM 1070 HA VAL A 70 3.168 10.286 -20.571 1.00 1.00 H +ATOM 1071 HB VAL A 70 2.031 13.004 -19.884 1.00 1.00 H +ATOM 1072 HG11 VAL A 70 0.872 10.580 -21.237 1.00 1.00 H +ATOM 1073 HG12 VAL A 70 -0.166 11.620 -20.231 1.00 1.00 H +ATOM 1074 HG13 VAL A 70 0.684 12.305 -21.637 1.00 1.00 H +ATOM 1075 HG21 VAL A 70 2.346 10.506 -18.358 1.00 1.00 H +ATOM 1076 HG22 VAL A 70 2.029 12.165 -17.796 1.00 1.00 H +ATOM 1077 HG23 VAL A 70 0.686 11.146 -18.368 1.00 1.00 H +ATOM 1078 N SER A 71 4.188 13.036 -22.002 1.00 1.00 N +ATOM 1079 CA SER A 71 4.518 13.649 -23.277 1.00 1.00 C +ATOM 1080 C SER A 71 5.983 13.383 -23.622 1.00 1.00 C +ATOM 1081 O SER A 71 6.281 12.693 -24.596 1.00 1.00 O +ATOM 1082 CB SER A 71 4.243 15.154 -23.252 1.00 1.00 C +ATOM 1083 OG SER A 71 4.820 15.821 -24.371 1.00 1.00 O +ATOM 1084 H SER A 71 4.504 13.539 -21.197 1.00 1.00 H +ATOM 1085 HA SER A 71 3.861 13.172 -24.005 1.00 1.00 H +ATOM 1086 HB2 SER A 71 3.166 15.326 -23.244 1.00 1.00 H +ATOM 1087 HB3 SER A 71 4.639 15.580 -22.330 1.00 1.00 H +ATOM 1088 HG SER A 71 5.803 15.641 -24.406 1.00 1.00 H +ATOM 1089 N SER A 72 6.862 13.945 -22.804 1.00 1.00 N +ATOM 1090 CA SER A 72 8.291 13.777 -23.010 1.00 1.00 C +ATOM 1091 C SER A 72 9.061 14.843 -22.228 1.00 1.00 C +ATOM 1092 O SER A 72 10.050 14.537 -21.564 1.00 1.00 O +ATOM 1093 CB SER A 72 8.645 13.851 -24.497 1.00 1.00 C +ATOM 1094 OG SER A 72 7.894 14.853 -25.176 1.00 1.00 O +ATOM 1095 H SER A 72 6.612 14.505 -22.014 1.00 1.00 H +ATOM 1096 HA SER A 72 8.522 12.782 -22.631 1.00 1.00 H +ATOM 1097 HB2 SER A 72 9.709 14.059 -24.606 1.00 1.00 H +ATOM 1098 HB3 SER A 72 8.460 12.882 -24.962 1.00 1.00 H +ATOM 1099 HG SER A 72 8.496 15.597 -25.461 1.00 1.00 H +ATOM 1100 N GLU A 73 8.578 16.072 -22.334 1.00 1.00 N +ATOM 1101 CA GLU A 73 9.209 17.185 -21.645 1.00 1.00 C +ATOM 1102 C GLU A 73 8.612 17.351 -20.245 1.00 1.00 C +ATOM 1103 O GLU A 73 9.060 18.196 -19.471 1.00 1.00 O +ATOM 1104 CB GLU A 73 9.077 18.477 -22.453 1.00 1.00 C +ATOM 1105 CG GLU A 73 7.886 18.404 -23.413 1.00 1.00 C +ATOM 1106 CD GLU A 73 7.605 19.769 -24.043 1.00 1.00 C +ATOM 1107 OE1 GLU A 73 7.784 20.774 -23.323 1.00 1.00 O +ATOM 1108 OE2 GLU A 73 7.217 19.776 -25.232 1.00 1.00 O +ATOM 1109 H GLU A 73 7.774 16.313 -22.875 1.00 1.00 H +ATOM 1110 HA GLU A 73 10.264 16.918 -21.568 1.00 1.00 H +ATOM 1111 HB2 GLU A 73 8.950 19.323 -21.777 1.00 1.00 H +ATOM 1112 HB3 GLU A 73 9.992 18.654 -23.017 1.00 1.00 H +ATOM 1113 HG2 GLU A 73 8.092 17.673 -24.196 1.00 1.00 H +ATOM 1114 HG3 GLU A 73 7.004 18.058 -22.877 1.00 1.00 H +ATOM 1115 N SER A 74 7.612 16.529 -19.963 1.00 1.00 N +ATOM 1116 CA SER A 74 6.950 16.573 -18.671 1.00 1.00 C +ATOM 1117 C SER A 74 7.040 15.208 -17.989 1.00 1.00 C +ATOM 1118 O SER A 74 6.102 14.413 -18.052 1.00 1.00 O +ATOM 1119 CB SER A 74 5.486 16.998 -18.816 1.00 1.00 C +ATOM 1120 OG SER A 74 5.265 17.751 -20.005 1.00 1.00 O +ATOM 1121 H SER A 74 7.254 15.845 -20.598 1.00 1.00 H +ATOM 1122 HA SER A 74 7.489 17.325 -18.094 1.00 1.00 H +ATOM 1123 HB2 SER A 74 4.851 16.113 -18.823 1.00 1.00 H +ATOM 1124 HB3 SER A 74 5.195 17.593 -17.950 1.00 1.00 H +ATOM 1125 HG SER A 74 6.119 18.177 -20.303 1.00 1.00 H +ATOM 1126 N ARG A 75 8.177 14.974 -17.350 1.00 1.00 N +ATOM 1127 CA ARG A 75 8.404 13.717 -16.657 1.00 1.00 C +ATOM 1128 C ARG A 75 8.017 13.847 -15.184 1.00 1.00 C +ATOM 1129 O ARG A 75 8.181 14.910 -14.585 1.00 1.00 O +ATOM 1130 CB ARG A 75 9.869 13.288 -16.757 1.00 1.00 C +ATOM 1131 CG ARG A 75 10.614 14.122 -17.801 1.00 1.00 C +ATOM 1132 CD ARG A 75 11.801 13.347 -18.377 1.00 1.00 C +ATOM 1133 NE ARG A 75 12.650 14.249 -19.187 1.00 1.00 N +ATOM 1134 CZ ARG A 75 13.386 15.247 -18.675 1.00 1.00 C +ATOM 1135 NH1 ARG A 75 13.380 15.476 -17.356 1.00 1.00 N +ATOM 1136 NH2 ARG A 75 14.127 16.016 -19.487 1.00 1.00 N +ATOM 1137 H ARG A 75 8.935 15.624 -17.303 1.00 1.00 H +ATOM 1138 HA ARG A 75 7.763 12.998 -17.170 1.00 1.00 H +ATOM 1139 HB2 ARG A 75 10.350 13.397 -15.787 1.00 1.00 H +ATOM 1140 HB3 ARG A 75 9.925 12.232 -17.025 1.00 1.00 H +ATOM 1141 HG2 ARG A 75 9.933 14.400 -18.605 1.00 1.00 H +ATOM 1142 HG3 ARG A 75 10.966 15.048 -17.348 1.00 1.00 H +ATOM 1143 HD2 ARG A 75 12.388 12.911 -17.568 1.00 1.00 H +ATOM 1144 HD3 ARG A 75 11.443 12.522 -18.993 1.00 1.00 H +ATOM 1145 HE ARG A 75 12.676 14.106 -20.176 1.00 1.00 H +ATOM 1146 HH11 ARG A 75 12.828 14.902 -16.752 1.00 1.00 H +ATOM 1147 HH12 ARG A 75 13.930 16.220 -16.976 1.00 1.00 H +ATOM 1148 HH21 ARG A 75 14.129 15.845 -20.472 1.00 1.00 H +ATOM 1149 HH22 ARG A 75 14.675 16.760 -19.106 1.00 1.00 H +ATOM 1150 N PHE A 76 7.510 12.751 -14.638 1.00 1.00 N +ATOM 1151 CA PHE A 76 7.099 12.730 -13.244 1.00 1.00 C +ATOM 1152 C PHE A 76 7.478 11.403 -12.582 1.00 1.00 C +ATOM 1153 O PHE A 76 7.278 10.336 -13.160 1.00 1.00 O +ATOM 1154 CB PHE A 76 5.576 12.880 -13.225 1.00 1.00 C +ATOM 1155 CG PHE A 76 5.070 14.172 -13.866 1.00 1.00 C +ATOM 1156 CD1 PHE A 76 5.225 15.358 -13.216 1.00 1.00 C +ATOM 1157 CD2 PHE A 76 4.466 14.139 -15.083 1.00 1.00 C +ATOM 1158 CE1 PHE A 76 4.754 16.559 -13.810 1.00 1.00 C +ATOM 1159 CE2 PHE A 76 3.997 15.339 -15.677 1.00 1.00 C +ATOM 1160 CZ PHE A 76 4.150 16.524 -15.029 1.00 1.00 C +ATOM 1161 H PHE A 76 7.379 11.891 -15.131 1.00 1.00 H +ATOM 1162 HA PHE A 76 7.618 13.546 -12.742 1.00 1.00 H +ATOM 1163 HB2 PHE A 76 5.132 12.031 -13.744 1.00 1.00 H +ATOM 1164 HB3 PHE A 76 5.232 12.836 -12.192 1.00 1.00 H +ATOM 1165 HD1 PHE A 76 5.707 15.386 -12.240 1.00 1.00 H +ATOM 1166 HD2 PHE A 76 4.344 13.188 -15.603 1.00 1.00 H +ATOM 1167 HE1 PHE A 76 4.877 17.509 -13.289 1.00 1.00 H +ATOM 1168 HE2 PHE A 76 3.513 15.312 -16.654 1.00 1.00 H +ATOM 1169 HZ PHE A 76 3.789 17.446 -15.484 1.00 1.00 H +ATOM 1170 N ASN A 77 8.018 11.514 -11.377 1.00 1.00 N +ATOM 1171 CA ASN A 77 8.426 10.337 -10.629 1.00 1.00 C +ATOM 1172 C ASN A 77 7.194 9.685 -9.998 1.00 1.00 C +ATOM 1173 O ASN A 77 7.073 8.462 -9.987 1.00 1.00 O +ATOM 1174 CB ASN A 77 9.394 10.708 -9.503 1.00 1.00 C +ATOM 1175 CG ASN A 77 10.778 11.046 -10.059 1.00 1.00 C +ATOM 1176 OD1 ASN A 77 11.215 12.186 -10.059 1.00 1.00 O +ATOM 1177 ND2 ASN A 77 11.444 9.996 -10.529 1.00 1.00 N +ATOM 1178 H ASN A 77 8.177 12.385 -10.913 1.00 1.00 H +ATOM 1179 HA ASN A 77 8.915 9.690 -11.359 1.00 1.00 H +ATOM 1180 HB2 ASN A 77 9.002 11.562 -8.949 1.00 1.00 H +ATOM 1181 HB3 ASN A 77 9.473 9.880 -8.799 1.00 1.00 H +ATOM 1182 HD21 ASN A 77 11.028 9.086 -10.498 1.00 1.00 H +ATOM 1183 HD22 ASN A 77 12.359 10.114 -10.914 1.00 1.00 H +ATOM 1184 N THR A 78 6.312 10.531 -9.490 1.00 1.00 N +ATOM 1185 CA THR A 78 5.094 10.054 -8.859 1.00 1.00 C +ATOM 1186 C THR A 78 3.871 10.455 -9.687 1.00 1.00 C +ATOM 1187 O THR A 78 3.841 11.538 -10.273 1.00 1.00 O +ATOM 1188 CB THR A 78 5.060 10.590 -7.427 1.00 1.00 C +ATOM 1189 OG1 THR A 78 5.004 12.006 -7.588 1.00 1.00 O +ATOM 1190 CG2 THR A 78 6.374 10.353 -6.681 1.00 1.00 C +ATOM 1191 H THR A 78 6.419 11.527 -9.504 1.00 1.00 H +ATOM 1192 HA THR A 78 5.122 8.964 -8.839 1.00 1.00 H +ATOM 1193 HB THR A 78 4.218 10.174 -6.875 1.00 1.00 H +ATOM 1194 HG1 THR A 78 4.901 12.236 -8.556 1.00 1.00 H +ATOM 1195 HG21 THR A 78 7.198 10.327 -7.395 1.00 1.00 H +ATOM 1196 HG22 THR A 78 6.538 11.159 -5.966 1.00 1.00 H +ATOM 1197 HG23 THR A 78 6.323 9.401 -6.151 1.00 1.00 H +ATOM 1198 N LEU A 79 2.893 9.562 -9.711 1.00 1.00 N +ATOM 1199 CA LEU A 79 1.671 9.811 -10.458 1.00 1.00 C +ATOM 1200 C LEU A 79 1.123 11.189 -10.087 1.00 1.00 C +ATOM 1201 O LEU A 79 0.750 11.969 -10.962 1.00 1.00 O +ATOM 1202 CB LEU A 79 0.671 8.673 -10.242 1.00 1.00 C +ATOM 1203 CG LEU A 79 -0.305 8.410 -11.391 1.00 1.00 C +ATOM 1204 CD1 LEU A 79 -1.065 9.684 -11.766 1.00 1.00 C +ATOM 1205 CD2 LEU A 79 0.416 7.798 -12.594 1.00 1.00 C +ATOM 1206 H LEU A 79 2.925 8.685 -9.232 1.00 1.00 H +ATOM 1207 HA LEU A 79 1.931 9.815 -11.517 1.00 1.00 H +ATOM 1208 HB2 LEU A 79 1.229 7.755 -10.051 1.00 1.00 H +ATOM 1209 HB3 LEU A 79 0.094 8.888 -9.344 1.00 1.00 H +ATOM 1210 HG LEU A 79 -1.043 7.683 -11.053 1.00 1.00 H +ATOM 1211 HD11 LEU A 79 -1.569 10.079 -10.883 1.00 1.00 H +ATOM 1212 HD12 LEU A 79 -0.364 10.426 -12.146 1.00 1.00 H +ATOM 1213 HD13 LEU A 79 -1.803 9.455 -12.534 1.00 1.00 H +ATOM 1214 HD21 LEU A 79 1.015 6.950 -12.265 1.00 1.00 H +ATOM 1215 HD22 LEU A 79 -0.320 7.460 -13.325 1.00 1.00 H +ATOM 1216 HD23 LEU A 79 1.063 8.547 -13.050 1.00 1.00 H +ATOM 1217 N ALA A 80 1.091 11.449 -8.788 1.00 1.00 N +ATOM 1218 CA ALA A 80 0.593 12.720 -8.291 1.00 1.00 C +ATOM 1219 C ALA A 80 1.230 13.858 -9.090 1.00 1.00 C +ATOM 1220 O ALA A 80 0.544 14.566 -9.826 1.00 1.00 O +ATOM 1221 CB ALA A 80 0.879 12.829 -6.792 1.00 1.00 C +ATOM 1222 H ALA A 80 1.395 10.809 -8.083 1.00 1.00 H +ATOM 1223 HA ALA A 80 -0.486 12.738 -8.445 1.00 1.00 H +ATOM 1224 HB1 ALA A 80 1.577 12.045 -6.497 1.00 1.00 H +ATOM 1225 HB2 ALA A 80 1.315 13.804 -6.574 1.00 1.00 H +ATOM 1226 HB3 ALA A 80 -0.051 12.715 -6.236 1.00 1.00 H +ATOM 1227 N GLU A 81 2.536 14.003 -8.919 1.00 1.00 N +ATOM 1228 CA GLU A 81 3.272 15.043 -9.614 1.00 1.00 C +ATOM 1229 C GLU A 81 2.807 15.143 -11.068 1.00 1.00 C +ATOM 1230 O GLU A 81 2.731 16.236 -11.625 1.00 1.00 O +ATOM 1231 CB GLU A 81 4.780 14.792 -9.538 1.00 1.00 C +ATOM 1232 CG GLU A 81 5.328 15.153 -8.155 1.00 1.00 C +ATOM 1233 CD GLU A 81 6.602 14.364 -7.846 1.00 1.00 C +ATOM 1234 OE1 GLU A 81 7.503 14.380 -8.712 1.00 1.00 O +ATOM 1235 OE2 GLU A 81 6.646 13.764 -6.751 1.00 1.00 O +ATOM 1236 H GLU A 81 3.088 13.423 -8.317 1.00 1.00 H +ATOM 1237 HA GLU A 81 3.038 15.967 -9.086 1.00 1.00 H +ATOM 1238 HB2 GLU A 81 4.990 13.746 -9.753 1.00 1.00 H +ATOM 1239 HB3 GLU A 81 5.290 15.382 -10.299 1.00 1.00 H +ATOM 1240 HG2 GLU A 81 5.537 16.221 -8.110 1.00 1.00 H +ATOM 1241 HG3 GLU A 81 4.572 14.945 -7.396 1.00 1.00 H +ATOM 1242 N LEU A 82 2.506 13.985 -11.639 1.00 1.00 N +ATOM 1243 CA LEU A 82 2.049 13.928 -13.018 1.00 1.00 C +ATOM 1244 C LEU A 82 0.636 14.508 -13.107 1.00 1.00 C +ATOM 1245 O LEU A 82 0.338 15.289 -14.009 1.00 1.00 O +ATOM 1246 CB LEU A 82 2.164 12.503 -13.561 1.00 1.00 C +ATOM 1247 CG LEU A 82 1.322 12.187 -14.799 1.00 1.00 C +ATOM 1248 CD1 LEU A 82 1.927 11.028 -15.593 1.00 1.00 C +ATOM 1249 CD2 LEU A 82 -0.137 11.920 -14.416 1.00 1.00 C +ATOM 1250 H LEU A 82 2.571 13.101 -11.179 1.00 1.00 H +ATOM 1251 HA LEU A 82 2.718 14.554 -13.609 1.00 1.00 H +ATOM 1252 HB2 LEU A 82 3.210 12.308 -13.800 1.00 1.00 H +ATOM 1253 HB3 LEU A 82 1.884 11.809 -12.769 1.00 1.00 H +ATOM 1254 HG LEU A 82 1.329 13.061 -15.450 1.00 1.00 H +ATOM 1255 HD11 LEU A 82 2.202 10.224 -14.912 1.00 1.00 H +ATOM 1256 HD12 LEU A 82 1.196 10.660 -16.314 1.00 1.00 H +ATOM 1257 HD13 LEU A 82 2.815 11.374 -16.122 1.00 1.00 H +ATOM 1258 HD21 LEU A 82 -0.286 12.167 -13.365 1.00 1.00 H +ATOM 1259 HD22 LEU A 82 -0.793 12.534 -15.032 1.00 1.00 H +ATOM 1260 HD23 LEU A 82 -0.367 10.867 -14.578 1.00 1.00 H +ATOM 1261 N VAL A 83 -0.196 14.104 -12.158 1.00 1.00 N +ATOM 1262 CA VAL A 83 -1.571 14.573 -12.118 1.00 1.00 C +ATOM 1263 C VAL A 83 -1.583 16.072 -11.810 1.00 1.00 C +ATOM 1264 O VAL A 83 -2.349 16.826 -12.409 1.00 1.00 O +ATOM 1265 CB VAL A 83 -2.376 13.750 -11.112 1.00 1.00 C +ATOM 1266 CG1 VAL A 83 -3.488 14.589 -10.481 1.00 1.00 C +ATOM 1267 CG2 VAL A 83 -2.945 12.489 -11.768 1.00 1.00 C +ATOM 1268 H VAL A 83 0.055 13.468 -11.428 1.00 1.00 H +ATOM 1269 HA VAL A 83 -2.001 14.415 -13.107 1.00 1.00 H +ATOM 1270 HB VAL A 83 -1.700 13.437 -10.317 1.00 1.00 H +ATOM 1271 HG11 VAL A 83 -3.614 15.511 -11.049 1.00 1.00 H +ATOM 1272 HG12 VAL A 83 -4.421 14.025 -10.494 1.00 1.00 H +ATOM 1273 HG13 VAL A 83 -3.222 14.829 -9.452 1.00 1.00 H +ATOM 1274 HG21 VAL A 83 -3.403 12.750 -12.721 1.00 1.00 H +ATOM 1275 HG22 VAL A 83 -2.142 11.772 -11.933 1.00 1.00 H +ATOM 1276 HG23 VAL A 83 -3.695 12.047 -11.112 1.00 1.00 H +ATOM 1277 N HIS A 84 -0.726 16.459 -10.877 1.00 1.00 N +ATOM 1278 CA HIS A 84 -0.630 17.855 -10.481 1.00 1.00 C +ATOM 1279 C HIS A 84 -0.492 18.732 -11.727 1.00 1.00 C +ATOM 1280 O HIS A 84 -1.253 19.681 -11.910 1.00 1.00 O +ATOM 1281 CB HIS A 84 0.511 18.058 -9.484 1.00 1.00 C +ATOM 1282 CG HIS A 84 0.070 18.625 -8.155 1.00 1.00 C +ATOM 1283 ND1 HIS A 84 -1.201 18.431 -7.642 1.00 1.00 N +ATOM 1284 CD2 HIS A 84 0.744 19.380 -7.240 1.00 1.00 C +ATOM 1285 CE1 HIS A 84 -1.277 19.046 -6.471 1.00 1.00 C +ATOM 1286 NE2 HIS A 84 -0.070 19.633 -6.223 1.00 1.00 N +ATOM 1287 H HIS A 84 -0.107 15.840 -10.395 1.00 1.00 H +ATOM 1288 HA HIS A 84 -1.563 18.101 -9.975 1.00 1.00 H +ATOM 1289 HB2 HIS A 84 1.006 17.103 -9.313 1.00 1.00 H +ATOM 1290 HB3 HIS A 84 1.250 18.727 -9.924 1.00 1.00 H +ATOM 1291 HD1 HIS A 84 -1.936 17.915 -8.080 1.00 1.00 H +ATOM 1292 HD2 HIS A 84 1.777 19.715 -7.328 1.00 1.00 H +ATOM 1293 HE1 HIS A 84 -2.151 19.078 -5.819 1.00 1.00 H +ATOM 1294 N HIS A 85 0.484 18.384 -12.552 1.00 1.00 N +ATOM 1295 CA HIS A 85 0.732 19.127 -13.776 1.00 1.00 C +ATOM 1296 C HIS A 85 -0.358 18.807 -14.800 1.00 1.00 C +ATOM 1297 O HIS A 85 -0.847 19.699 -15.490 1.00 1.00 O +ATOM 1298 CB HIS A 85 2.141 18.853 -14.303 1.00 1.00 C +ATOM 1299 CG HIS A 85 2.375 19.342 -15.712 1.00 1.00 C +ATOM 1300 ND1 HIS A 85 2.471 20.684 -16.034 1.00 1.00 N +ATOM 1301 CD2 HIS A 85 2.534 18.654 -16.880 1.00 1.00 C +ATOM 1302 CE1 HIS A 85 2.675 20.788 -17.339 1.00 1.00 C +ATOM 1303 NE2 HIS A 85 2.715 19.528 -17.862 1.00 1.00 N +ATOM 1304 H HIS A 85 1.099 17.610 -12.396 1.00 1.00 H +ATOM 1305 HA HIS A 85 0.674 20.185 -13.516 1.00 1.00 H +ATOM 1306 HB2 HIS A 85 2.865 19.328 -13.640 1.00 1.00 H +ATOM 1307 HB3 HIS A 85 2.329 17.780 -14.265 1.00 1.00 H +ATOM 1308 HD1 HIS A 85 2.396 21.447 -15.391 1.00 1.00 H +ATOM 1309 HD2 HIS A 85 2.515 17.569 -16.987 1.00 1.00 H +ATOM 1310 HE1 HIS A 85 2.793 21.717 -17.897 1.00 1.00 H +ATOM 1311 N HIS A 86 -0.705 17.530 -14.869 1.00 1.00 N +ATOM 1312 CA HIS A 86 -1.727 17.081 -15.798 1.00 1.00 C +ATOM 1313 C HIS A 86 -3.110 17.442 -15.253 1.00 1.00 C +ATOM 1314 O HIS A 86 -4.126 16.993 -15.781 1.00 1.00 O +ATOM 1315 CB HIS A 86 -1.577 15.586 -16.089 1.00 1.00 C +ATOM 1316 CG HIS A 86 -0.408 15.248 -16.983 1.00 1.00 C +ATOM 1317 ND1 HIS A 86 0.260 16.200 -17.735 1.00 1.00 N +ATOM 1318 CD2 HIS A 86 0.205 14.056 -17.237 1.00 1.00 C +ATOM 1319 CE1 HIS A 86 1.228 15.596 -18.408 1.00 1.00 C +ATOM 1320 NE2 HIS A 86 1.192 14.268 -18.099 1.00 1.00 N +ATOM 1321 H HIS A 86 -0.301 16.810 -14.303 1.00 1.00 H +ATOM 1322 HA HIS A 86 -1.561 17.619 -16.729 1.00 1.00 H +ATOM 1323 HB2 HIS A 86 -1.465 15.052 -15.145 1.00 1.00 H +ATOM 1324 HB3 HIS A 86 -2.494 15.222 -16.553 1.00 1.00 H +ATOM 1325 HD1 HIS A 86 0.047 17.177 -17.764 1.00 1.00 H +ATOM 1326 HD2 HIS A 86 -0.069 13.094 -16.807 1.00 1.00 H +ATOM 1327 HE1 HIS A 86 1.931 16.077 -19.089 1.00 1.00 H +ATOM 1328 N SER A 87 -3.105 18.250 -14.204 1.00 1.00 N +ATOM 1329 CA SER A 87 -4.347 18.679 -13.582 1.00 1.00 C +ATOM 1330 C SER A 87 -4.695 20.098 -14.033 1.00 1.00 C +ATOM 1331 O SER A 87 -5.856 20.504 -13.975 1.00 1.00 O +ATOM 1332 CB SER A 87 -4.250 18.615 -12.058 1.00 1.00 C +ATOM 1333 OG SER A 87 -5.340 19.279 -11.424 1.00 1.00 O +ATOM 1334 H SER A 87 -2.274 18.612 -13.780 1.00 1.00 H +ATOM 1335 HA SER A 87 -5.101 17.972 -13.927 1.00 1.00 H +ATOM 1336 HB2 SER A 87 -4.224 17.574 -11.738 1.00 1.00 H +ATOM 1337 HB3 SER A 87 -3.313 19.070 -11.735 1.00 1.00 H +ATOM 1338 HG SER A 87 -6.198 18.812 -11.642 1.00 1.00 H +ATOM 1339 N THR A 88 -3.672 20.813 -14.475 1.00 1.00 N +ATOM 1340 CA THR A 88 -3.857 22.179 -14.936 1.00 1.00 C +ATOM 1341 C THR A 88 -3.241 22.361 -16.325 1.00 1.00 C +ATOM 1342 O THR A 88 -3.790 23.075 -17.162 1.00 1.00 O +ATOM 1343 CB THR A 88 -3.266 23.118 -13.882 1.00 1.00 C +ATOM 1344 OG1 THR A 88 -1.909 22.701 -13.767 1.00 1.00 O +ATOM 1345 CG2 THR A 88 -3.850 22.875 -12.489 1.00 1.00 C +ATOM 1346 H THR A 88 -2.731 20.476 -14.519 1.00 1.00 H +ATOM 1347 HA THR A 88 -4.926 22.368 -15.033 1.00 1.00 H +ATOM 1348 HB THR A 88 -3.385 24.160 -14.178 1.00 1.00 H +ATOM 1349 HG1 THR A 88 -1.482 22.672 -14.671 1.00 1.00 H +ATOM 1350 HG21 THR A 88 -4.785 22.323 -12.578 1.00 1.00 H +ATOM 1351 HG22 THR A 88 -3.143 22.299 -11.894 1.00 1.00 H +ATOM 1352 HG23 THR A 88 -4.039 23.831 -12.002 1.00 1.00 H +ATOM 1353 N VAL A 89 -2.108 21.702 -16.525 1.00 1.00 N +ATOM 1354 CA VAL A 89 -1.412 21.782 -17.798 1.00 1.00 C +ATOM 1355 C VAL A 89 -1.117 20.368 -18.303 1.00 1.00 C +ATOM 1356 O VAL A 89 -0.035 19.834 -18.068 1.00 1.00 O +ATOM 1357 CB VAL A 89 -0.153 22.639 -17.653 1.00 1.00 C +ATOM 1358 CG1 VAL A 89 0.752 22.498 -18.879 1.00 1.00 C +ATOM 1359 CG2 VAL A 89 -0.513 24.105 -17.402 1.00 1.00 C +ATOM 1360 H VAL A 89 -1.668 21.124 -15.839 1.00 1.00 H +ATOM 1361 HA VAL A 89 -2.076 22.276 -18.506 1.00 1.00 H +ATOM 1362 HB VAL A 89 0.400 22.278 -16.786 1.00 1.00 H +ATOM 1363 HG11 VAL A 89 0.187 22.752 -19.777 1.00 1.00 H +ATOM 1364 HG12 VAL A 89 1.603 23.171 -18.781 1.00 1.00 H +ATOM 1365 HG13 VAL A 89 1.106 21.471 -18.952 1.00 1.00 H +ATOM 1366 HG21 VAL A 89 -1.538 24.170 -17.035 1.00 1.00 H +ATOM 1367 HG22 VAL A 89 0.167 24.525 -16.661 1.00 1.00 H +ATOM 1368 HG23 VAL A 89 -0.425 24.664 -18.333 1.00 1.00 H +ATOM 1369 N ALA A 90 -2.100 19.803 -18.988 1.00 1.00 N +ATOM 1370 CA ALA A 90 -1.960 18.460 -19.529 1.00 1.00 C +ATOM 1371 C ALA A 90 -1.099 18.512 -20.792 1.00 1.00 C +ATOM 1372 O ALA A 90 -1.623 18.485 -21.906 1.00 1.00 O +ATOM 1373 CB ALA A 90 -3.347 17.869 -19.790 1.00 1.00 C +ATOM 1374 H ALA A 90 -2.977 20.244 -19.175 1.00 1.00 H +ATOM 1375 HA ALA A 90 -1.453 17.853 -18.779 1.00 1.00 H +ATOM 1376 HB1 ALA A 90 -3.957 17.965 -18.892 1.00 1.00 H +ATOM 1377 HB2 ALA A 90 -3.822 18.404 -20.612 1.00 1.00 H +ATOM 1378 HB3 ALA A 90 -3.247 16.815 -20.050 1.00 1.00 H +ATOM 1379 N ASP A 91 0.205 18.586 -20.580 1.00 1.00 N +ATOM 1380 CA ASP A 91 1.142 18.642 -21.688 1.00 1.00 C +ATOM 1381 C ASP A 91 1.237 17.261 -22.341 1.00 1.00 C +ATOM 1382 O ASP A 91 1.886 17.101 -23.373 1.00 1.00 O +ATOM 1383 CB ASP A 91 2.542 19.034 -21.208 1.00 1.00 C +ATOM 1384 CG ASP A 91 3.619 19.041 -22.294 1.00 1.00 C +ATOM 1385 OD1 ASP A 91 3.743 20.087 -22.966 1.00 1.00 O +ATOM 1386 OD2 ASP A 91 4.296 17.998 -22.429 1.00 1.00 O +ATOM 1387 H ASP A 91 0.624 18.608 -19.672 1.00 1.00 H +ATOM 1388 HA ASP A 91 0.742 19.396 -22.365 1.00 1.00 H +ATOM 1389 HB2 ASP A 91 2.490 20.026 -20.761 1.00 1.00 H +ATOM 1390 HB3 ASP A 91 2.845 18.345 -20.420 1.00 1.00 H +ATOM 1391 N GLY A 92 0.578 16.298 -21.711 1.00 1.00 N +ATOM 1392 CA GLY A 92 0.580 14.936 -22.218 1.00 1.00 C +ATOM 1393 C GLY A 92 -0.835 14.489 -22.592 1.00 1.00 C +ATOM 1394 O GLY A 92 -1.151 14.338 -23.771 1.00 1.00 O +ATOM 1395 H GLY A 92 0.053 16.437 -20.873 1.00 1.00 H +ATOM 1396 HA2 GLY A 92 1.230 14.870 -23.091 1.00 1.00 H +ATOM 1397 HA3 GLY A 92 0.989 14.264 -21.463 1.00 1.00 H +ATOM 1398 N LEU A 93 -1.648 14.289 -21.566 1.00 1.00 N +ATOM 1399 CA LEU A 93 -3.023 13.862 -21.772 1.00 1.00 C +ATOM 1400 C LEU A 93 -3.808 14.992 -22.439 1.00 1.00 C +ATOM 1401 O LEU A 93 -3.619 16.162 -22.112 1.00 1.00 O +ATOM 1402 CB LEU A 93 -3.636 13.379 -20.457 1.00 1.00 C +ATOM 1403 CG LEU A 93 -2.927 13.832 -19.179 1.00 1.00 C +ATOM 1404 CD1 LEU A 93 -3.915 13.961 -18.019 1.00 1.00 C +ATOM 1405 CD2 LEU A 93 -1.763 12.900 -18.838 1.00 1.00 C +ATOM 1406 H LEU A 93 -1.384 14.414 -20.610 1.00 1.00 H +ATOM 1407 HA LEU A 93 -3.001 13.008 -22.450 1.00 1.00 H +ATOM 1408 HB2 LEU A 93 -4.671 13.720 -20.414 1.00 1.00 H +ATOM 1409 HB3 LEU A 93 -3.661 12.289 -20.468 1.00 1.00 H +ATOM 1410 HG LEU A 93 -2.506 14.822 -19.354 1.00 1.00 H +ATOM 1411 HD11 LEU A 93 -4.872 13.527 -18.307 1.00 1.00 H +ATOM 1412 HD12 LEU A 93 -3.526 13.434 -17.148 1.00 1.00 H +ATOM 1413 HD13 LEU A 93 -4.053 15.015 -17.773 1.00 1.00 H +ATOM 1414 HD21 LEU A 93 -1.892 11.952 -19.359 1.00 1.00 H +ATOM 1415 HD22 LEU A 93 -0.825 13.361 -19.151 1.00 1.00 H +ATOM 1416 HD23 LEU A 93 -1.740 12.724 -17.763 1.00 1.00 H +ATOM 1417 N ILE A 94 -4.673 14.601 -23.364 1.00 1.00 N +ATOM 1418 CA ILE A 94 -5.489 15.568 -24.081 1.00 1.00 C +ATOM 1419 C ILE A 94 -6.060 16.583 -23.089 1.00 1.00 C +ATOM 1420 O ILE A 94 -5.504 17.666 -22.915 1.00 1.00 O +ATOM 1421 CB ILE A 94 -6.556 14.855 -24.913 1.00 1.00 C +ATOM 1422 CG1 ILE A 94 -7.667 15.822 -25.326 1.00 1.00 C +ATOM 1423 CG2 ILE A 94 -7.105 13.634 -24.173 1.00 1.00 C +ATOM 1424 CD1 ILE A 94 -8.229 15.459 -26.701 1.00 1.00 C +ATOM 1425 H ILE A 94 -4.821 13.648 -23.625 1.00 1.00 H +ATOM 1426 HA ILE A 94 -4.837 16.094 -24.777 1.00 1.00 H +ATOM 1427 HB ILE A 94 -6.088 14.492 -25.830 1.00 1.00 H +ATOM 1428 HG12 ILE A 94 -8.466 15.801 -24.585 1.00 1.00 H +ATOM 1429 HG13 ILE A 94 -7.279 16.841 -25.346 1.00 1.00 H +ATOM 1430 HG21 ILE A 94 -6.744 13.641 -23.144 1.00 1.00 H +ATOM 1431 HG22 ILE A 94 -8.193 13.666 -24.176 1.00 1.00 H +ATOM 1432 HG23 ILE A 94 -6.765 12.724 -24.670 1.00 1.00 H +ATOM 1433 HD11 ILE A 94 -7.419 15.422 -27.427 1.00 1.00 H +ATOM 1434 HD12 ILE A 94 -8.714 14.484 -26.648 1.00 1.00 H +ATOM 1435 HD13 ILE A 94 -8.958 16.210 -27.006 1.00 1.00 H +ATOM 1436 N THR A 95 -7.162 16.196 -22.465 1.00 1.00 N +ATOM 1437 CA THR A 95 -7.814 17.059 -21.494 1.00 1.00 C +ATOM 1438 C THR A 95 -7.043 17.055 -20.173 1.00 1.00 C +ATOM 1439 O THR A 95 -5.876 16.667 -20.131 1.00 1.00 O +ATOM 1440 CB THR A 95 -9.267 16.598 -21.352 1.00 1.00 C +ATOM 1441 OG1 THR A 95 -9.875 17.609 -20.552 1.00 1.00 O +ATOM 1442 CG2 THR A 95 -9.398 15.328 -20.511 1.00 1.00 C +ATOM 1443 H THR A 95 -7.608 15.313 -22.611 1.00 1.00 H +ATOM 1444 HA THR A 95 -7.792 18.081 -21.873 1.00 1.00 H +ATOM 1445 HB THR A 95 -9.731 16.468 -22.329 1.00 1.00 H +ATOM 1446 HG1 THR A 95 -10.868 17.587 -20.670 1.00 1.00 H +ATOM 1447 HG21 THR A 95 -8.648 15.336 -19.720 1.00 1.00 H +ATOM 1448 HG22 THR A 95 -10.392 15.286 -20.067 1.00 1.00 H +ATOM 1449 HG23 THR A 95 -9.247 14.454 -21.145 1.00 1.00 H +ATOM 1450 N THR A 96 -7.728 17.488 -19.124 1.00 1.00 N +ATOM 1451 CA THR A 96 -7.121 17.538 -17.804 1.00 1.00 C +ATOM 1452 C THR A 96 -7.996 16.802 -16.787 1.00 1.00 C +ATOM 1453 O THR A 96 -9.179 17.106 -16.643 1.00 1.00 O +ATOM 1454 CB THR A 96 -6.883 19.007 -17.449 1.00 1.00 C +ATOM 1455 OG1 THR A 96 -8.168 19.482 -17.055 1.00 1.00 O +ATOM 1456 CG2 THR A 96 -6.532 19.856 -18.672 1.00 1.00 C +ATOM 1457 H THR A 96 -8.677 17.801 -19.165 1.00 1.00 H +ATOM 1458 HA THR A 96 -6.167 17.014 -17.844 1.00 1.00 H +ATOM 1459 HB THR A 96 -6.120 19.102 -16.676 1.00 1.00 H +ATOM 1460 HG1 THR A 96 -8.083 20.074 -16.254 1.00 1.00 H +ATOM 1461 HG21 THR A 96 -6.179 19.209 -19.476 1.00 1.00 H +ATOM 1462 HG22 THR A 96 -7.417 20.398 -19.005 1.00 1.00 H +ATOM 1463 HG23 THR A 96 -5.748 20.566 -18.408 1.00 1.00 H +ATOM 1464 N LEU A 97 -7.380 15.846 -16.108 1.00 1.00 N +ATOM 1465 CA LEU A 97 -8.086 15.062 -15.108 1.00 1.00 C +ATOM 1466 C LEU A 97 -9.047 15.973 -14.340 1.00 1.00 C +ATOM 1467 O LEU A 97 -8.650 17.031 -13.855 1.00 1.00 O +ATOM 1468 CB LEU A 97 -7.095 14.317 -14.212 1.00 1.00 C +ATOM 1469 CG LEU A 97 -5.681 14.898 -14.149 1.00 1.00 C +ATOM 1470 CD1 LEU A 97 -5.148 14.891 -12.715 1.00 1.00 C +ATOM 1471 CD2 LEU A 97 -4.744 14.163 -15.112 1.00 1.00 C +ATOM 1472 H LEU A 97 -6.416 15.604 -16.230 1.00 1.00 H +ATOM 1473 HA LEU A 97 -8.671 14.311 -15.637 1.00 1.00 H +ATOM 1474 HB2 LEU A 97 -7.501 14.290 -13.200 1.00 1.00 H +ATOM 1475 HB3 LEU A 97 -7.029 13.287 -14.556 1.00 1.00 H +ATOM 1476 HG LEU A 97 -5.722 15.938 -14.472 1.00 1.00 H +ATOM 1477 HD11 LEU A 97 -5.745 14.209 -12.109 1.00 1.00 H +ATOM 1478 HD12 LEU A 97 -4.108 14.564 -12.715 1.00 1.00 H +ATOM 1479 HD13 LEU A 97 -5.213 15.896 -12.298 1.00 1.00 H +ATOM 1480 HD21 LEU A 97 -5.274 13.324 -15.563 1.00 1.00 H +ATOM 1481 HD22 LEU A 97 -4.415 14.849 -15.892 1.00 1.00 H +ATOM 1482 HD23 LEU A 97 -3.878 13.794 -14.563 1.00 1.00 H +ATOM 1483 N HIS A 98 -10.291 15.527 -14.255 1.00 1.00 N +ATOM 1484 CA HIS A 98 -11.312 16.289 -13.554 1.00 1.00 C +ATOM 1485 C HIS A 98 -12.220 15.333 -12.776 1.00 1.00 C +ATOM 1486 O HIS A 98 -13.443 15.474 -12.802 1.00 1.00 O +ATOM 1487 CB HIS A 98 -12.085 17.183 -14.524 1.00 1.00 C +ATOM 1488 CG HIS A 98 -13.016 18.162 -13.849 1.00 1.00 C +ATOM 1489 ND1 HIS A 98 -12.653 19.467 -13.565 1.00 1.00 N +ATOM 1490 CD2 HIS A 98 -14.297 18.013 -13.405 1.00 1.00 C +ATOM 1491 CE1 HIS A 98 -13.678 20.067 -12.976 1.00 1.00 C +ATOM 1492 NE2 HIS A 98 -14.696 19.163 -12.878 1.00 1.00 N +ATOM 1493 H HIS A 98 -10.606 14.665 -14.653 1.00 1.00 H +ATOM 1494 HA HIS A 98 -10.792 16.935 -12.848 1.00 1.00 H +ATOM 1495 HB2 HIS A 98 -11.373 17.738 -15.137 1.00 1.00 H +ATOM 1496 HB3 HIS A 98 -12.664 16.554 -15.201 1.00 1.00 H +ATOM 1497 HD1 HIS A 98 -11.770 19.886 -13.769 1.00 1.00 H +ATOM 1498 HD2 HIS A 98 -14.892 17.101 -13.472 1.00 1.00 H +ATOM 1499 HE1 HIS A 98 -13.704 21.100 -12.631 1.00 1.00 H +ATOM 1500 N TYR A 99 -11.589 14.383 -12.103 1.00 1.00 N +ATOM 1501 CA TYR A 99 -12.325 13.405 -11.320 1.00 1.00 C +ATOM 1502 C TYR A 99 -11.480 12.890 -10.152 1.00 1.00 C +ATOM 1503 O TYR A 99 -11.195 11.696 -10.068 1.00 1.00 O +ATOM 1504 CB TYR A 99 -12.625 12.244 -12.269 1.00 1.00 C +ATOM 1505 CG TYR A 99 -14.093 11.812 -12.278 1.00 1.00 C +ATOM 1506 CD1 TYR A 99 -15.090 12.759 -12.381 1.00 1.00 C +ATOM 1507 CD2 TYR A 99 -14.418 10.474 -12.182 1.00 1.00 C +ATOM 1508 CE1 TYR A 99 -16.472 12.351 -12.391 1.00 1.00 C +ATOM 1509 CE2 TYR A 99 -15.799 10.067 -12.189 1.00 1.00 C +ATOM 1510 CZ TYR A 99 -16.758 11.026 -12.294 1.00 1.00 C +ATOM 1511 OH TYR A 99 -18.063 10.640 -12.301 1.00 1.00 O +ATOM 1512 H TYR A 99 -10.594 14.276 -12.087 1.00 1.00 H +ATOM 1513 HA TYR A 99 -13.216 13.893 -10.924 1.00 1.00 H +ATOM 1514 HB2 TYR A 99 -12.335 12.530 -13.280 1.00 1.00 H +ATOM 1515 HB3 TYR A 99 -12.007 11.391 -11.989 1.00 1.00 H +ATOM 1516 HD1 TYR A 99 -14.834 13.815 -12.457 1.00 1.00 H +ATOM 1517 HD2 TYR A 99 -13.630 9.726 -12.100 1.00 1.00 H +ATOM 1518 HE1 TYR A 99 -17.271 13.089 -12.471 1.00 1.00 H +ATOM 1519 HE2 TYR A 99 -16.071 9.013 -12.115 1.00 1.00 H +ATOM 1520 HH TYR A 99 -18.648 11.422 -12.522 1.00 1.00 H +ATOM 1521 N PRO A 100 -11.093 13.839 -9.260 1.00 1.00 N +ATOM 1522 CA PRO A 100 -10.286 13.493 -8.101 1.00 1.00 C +ATOM 1523 C PRO A 100 -11.128 12.786 -7.039 1.00 1.00 C +ATOM 1524 O PRO A 100 -11.123 13.182 -5.873 1.00 1.00 O +ATOM 1525 CB PRO A 100 -9.704 14.812 -7.619 1.00 1.00 C +ATOM 1526 CG PRO A 100 -10.570 15.900 -8.234 1.00 1.00 C +ATOM 1527 CD PRO A 100 -11.412 15.263 -9.328 1.00 1.00 C +ATOM 1528 HA PRO A 100 -9.570 12.844 -8.359 1.00 1.00 H +ATOM 1529 HB2 PRO A 100 -9.717 14.869 -6.530 1.00 1.00 H +ATOM 1530 HB3 PRO A 100 -8.665 14.916 -7.931 1.00 1.00 H +ATOM 1531 HG2 PRO A 100 -11.208 16.353 -7.476 1.00 1.00 H +ATOM 1532 HG3 PRO A 100 -9.948 16.694 -8.646 1.00 1.00 H +ATOM 1533 HD2 PRO A 100 -12.474 15.439 -9.163 1.00 1.00 H +ATOM 1534 HD3 PRO A 100 -11.167 15.676 -10.306 1.00 1.00 H +ATOM 1535 N ALA A 101 -11.832 11.753 -7.476 1.00 1.00 N +ATOM 1536 CA ALA A 101 -12.678 10.987 -6.576 1.00 1.00 C +ATOM 1537 C ALA A 101 -11.799 10.171 -5.628 1.00 1.00 C +ATOM 1538 O ALA A 101 -11.084 9.269 -6.060 1.00 1.00 O +ATOM 1539 CB ALA A 101 -13.628 10.109 -7.392 1.00 1.00 C +ATOM 1540 H ALA A 101 -11.831 11.438 -8.426 1.00 1.00 H +ATOM 1541 HA ALA A 101 -13.268 11.696 -5.994 1.00 1.00 H +ATOM 1542 HB1 ALA A 101 -13.889 10.619 -8.320 1.00 1.00 H +ATOM 1543 HB2 ALA A 101 -13.139 9.162 -7.623 1.00 1.00 H +ATOM 1544 HB3 ALA A 101 -14.533 9.919 -6.815 1.00 1.00 H +ATOM 1545 N PRO A 102 -11.882 10.527 -4.317 1.00 1.00 N +ATOM 1546 CA PRO A 102 -11.102 9.837 -3.304 1.00 1.00 C +ATOM 1547 C PRO A 102 -11.692 8.458 -3.003 1.00 1.00 C +ATOM 1548 O PRO A 102 -12.885 8.233 -3.198 1.00 1.00 O +ATOM 1549 CB PRO A 102 -11.114 10.764 -2.100 1.00 1.00 C +ATOM 1550 CG PRO A 102 -12.278 11.716 -2.319 1.00 1.00 C +ATOM 1551 CD PRO A 102 -12.717 11.590 -3.769 1.00 1.00 C +ATOM 1552 HA PRO A 102 -10.173 9.671 -3.635 1.00 1.00 H +ATOM 1553 HB2 PRO A 102 -11.240 10.201 -1.174 1.00 1.00 H +ATOM 1554 HB3 PRO A 102 -10.174 11.309 -2.016 1.00 1.00 H +ATOM 1555 HG2 PRO A 102 -13.102 11.473 -1.648 1.00 1.00 H +ATOM 1556 HG3 PRO A 102 -11.980 12.741 -2.097 1.00 1.00 H +ATOM 1557 HD2 PRO A 102 -13.775 11.341 -3.842 1.00 1.00 H +ATOM 1558 HD3 PRO A 102 -12.572 12.527 -4.309 1.00 1.00 H +ATOM 1559 N LYS A 103 -10.828 7.570 -2.531 1.00 1.00 N +ATOM 1560 CA LYS A 103 -11.249 6.219 -2.202 1.00 1.00 C +ATOM 1561 C LYS A 103 -11.477 6.115 -0.693 1.00 1.00 C +ATOM 1562 O LYS A 103 -10.851 6.835 0.085 1.00 1.00 O +ATOM 1563 CB LYS A 103 -10.247 5.199 -2.743 1.00 1.00 C +ATOM 1564 CG LYS A 103 -9.410 5.799 -3.875 1.00 1.00 C +ATOM 1565 CD LYS A 103 -10.296 6.550 -4.872 1.00 1.00 C +ATOM 1566 CE LYS A 103 -10.220 5.912 -6.261 1.00 1.00 C +ATOM 1567 NZ LYS A 103 -10.640 6.879 -7.299 1.00 1.00 N +ATOM 1568 H LYS A 103 -9.859 7.761 -2.376 1.00 1.00 H +ATOM 1569 HA LYS A 103 -12.197 6.040 -2.707 1.00 1.00 H +ATOM 1570 HB2 LYS A 103 -9.590 4.864 -1.940 1.00 1.00 H +ATOM 1571 HB3 LYS A 103 -10.779 4.319 -3.106 1.00 1.00 H +ATOM 1572 HG2 LYS A 103 -8.666 6.479 -3.461 1.00 1.00 H +ATOM 1573 HG3 LYS A 103 -8.867 5.007 -4.391 1.00 1.00 H +ATOM 1574 HD2 LYS A 103 -11.328 6.546 -4.523 1.00 1.00 H +ATOM 1575 HD3 LYS A 103 -9.983 7.591 -4.929 1.00 1.00 H +ATOM 1576 HE2 LYS A 103 -9.200 5.577 -6.459 1.00 1.00 H +ATOM 1577 HE3 LYS A 103 -10.858 5.029 -6.299 1.00 1.00 H +ATOM 1578 HZ1 LYS A 103 -11.547 7.235 -7.076 1.00 1.00 H +ATOM 1579 HZ2 LYS A 103 -9.985 7.635 -7.335 1.00 1.00 H +ATOM 1580 HZ3 LYS A 103 -10.670 6.422 -8.189 1.00 1.00 H +ATOM 1581 N ARG A 104 -12.376 5.214 -0.322 1.00 1.00 N +ATOM 1582 CA ARG A 104 -12.693 5.006 1.080 1.00 1.00 C +ATOM 1583 C ARG A 104 -11.569 4.231 1.771 1.00 1.00 C +ATOM 1584 O ARG A 104 -11.266 3.101 1.392 1.00 1.00 O +ATOM 1585 CB ARG A 104 -14.006 4.238 1.239 1.00 1.00 C +ATOM 1586 CG ARG A 104 -14.351 3.472 -0.038 1.00 1.00 C +ATOM 1587 CD ARG A 104 -15.478 2.468 0.211 1.00 1.00 C +ATOM 1588 NE ARG A 104 -14.912 1.119 0.447 1.00 1.00 N +ATOM 1589 CZ ARG A 104 -15.584 -0.022 0.244 1.00 1.00 C +ATOM 1590 NH1 ARG A 104 -16.849 0.013 -0.198 1.00 1.00 N +ATOM 1591 NH2 ARG A 104 -14.991 -1.199 0.484 1.00 1.00 N +ATOM 1592 H ARG A 104 -12.879 4.633 -0.960 1.00 1.00 H +ATOM 1593 HA ARG A 104 -12.789 6.011 1.496 1.00 1.00 H +ATOM 1594 HB2 ARG A 104 -13.925 3.542 2.074 1.00 1.00 H +ATOM 1595 HB3 ARG A 104 -14.812 4.933 1.480 1.00 1.00 H +ATOM 1596 HG2 ARG A 104 -14.650 4.173 -0.818 1.00 1.00 H +ATOM 1597 HG3 ARG A 104 -13.467 2.947 -0.403 1.00 1.00 H +ATOM 1598 HD2 ARG A 104 -16.069 2.778 1.072 1.00 1.00 H +ATOM 1599 HD3 ARG A 104 -16.152 2.443 -0.646 1.00 1.00 H +ATOM 1600 HE ARG A 104 -13.972 1.058 0.778 1.00 1.00 H +ATOM 1601 HH11 ARG A 104 -17.291 0.892 -0.377 1.00 1.00 H +ATOM 1602 HH12 ARG A 104 -17.349 -0.839 -0.348 1.00 1.00 H +ATOM 1603 HH21 ARG A 104 -14.047 -1.226 0.815 1.00 1.00 H +ATOM 1604 HH22 ARG A 104 -15.491 -2.051 0.334 1.00 1.00 H +ATOM 1605 N GLY A 105 -10.983 4.869 2.773 1.00 1.00 N +ATOM 1606 CA GLY A 105 -9.898 4.254 3.520 1.00 1.00 C +ATOM 1607 C GLY A 105 -10.429 3.522 4.755 1.00 1.00 C +ATOM 1608 O GLY A 105 -11.615 3.198 4.827 1.00 1.00 O +ATOM 1609 H GLY A 105 -11.235 5.788 3.076 1.00 1.00 H +ATOM 1610 HA2 GLY A 105 -9.364 3.552 2.880 1.00 1.00 H +ATOM 1611 HA3 GLY A 105 -9.183 5.017 3.825 1.00 1.00 H +ATOM 1612 N ILE A 106 -9.528 3.285 5.696 1.00 1.00 N +ATOM 1613 CA ILE A 106 -9.891 2.598 6.923 1.00 1.00 C +ATOM 1614 C ILE A 106 -9.845 3.588 8.089 1.00 1.00 C +ATOM 1615 O ILE A 106 -9.357 3.260 9.169 1.00 1.00 O +ATOM 1616 CB ILE A 106 -9.008 1.365 7.130 1.00 1.00 C +ATOM 1617 CG1 ILE A 106 -9.381 0.634 8.421 1.00 1.00 C +ATOM 1618 CG2 ILE A 106 -7.525 1.740 7.089 1.00 1.00 C +ATOM 1619 CD1 ILE A 106 -8.840 -0.797 8.415 1.00 1.00 C +ATOM 1620 H ILE A 106 -8.567 3.552 5.629 1.00 1.00 H +ATOM 1621 HA ILE A 106 -10.916 2.244 6.810 1.00 1.00 H +ATOM 1622 HB ILE A 106 -9.187 0.675 6.305 1.00 1.00 H +ATOM 1623 HG12 ILE A 106 -8.979 1.175 9.278 1.00 1.00 H +ATOM 1624 HG13 ILE A 106 -10.464 0.617 8.534 1.00 1.00 H +ATOM 1625 HG21 ILE A 106 -7.425 2.825 7.076 1.00 1.00 H +ATOM 1626 HG22 ILE A 106 -7.026 1.341 7.973 1.00 1.00 H +ATOM 1627 HG23 ILE A 106 -7.068 1.321 6.195 1.00 1.00 H +ATOM 1628 HD11 ILE A 106 -8.457 -1.038 7.424 1.00 1.00 H +ATOM 1629 HD12 ILE A 106 -8.036 -0.884 9.146 1.00 1.00 H +ATOM 1630 HD13 ILE A 106 -9.641 -1.489 8.671 1.00 1.00 H +ATOM 1631 N HIS A 107 -10.363 4.781 7.830 1.00 1.00 N +ATOM 1632 CA HIS A 107 -10.387 5.820 8.845 1.00 1.00 C +ATOM 1633 C HIS A 107 -9.106 5.756 9.678 1.00 1.00 C +ATOM 1634 O HIS A 107 -9.150 5.438 10.866 1.00 1.00 O +ATOM 1635 CB HIS A 107 -11.654 5.720 9.696 1.00 1.00 C +ATOM 1636 CG HIS A 107 -12.010 4.311 10.104 1.00 1.00 C +ATOM 1637 ND1 HIS A 107 -13.133 3.654 9.633 1.00 1.00 N +ATOM 1638 CD2 HIS A 107 -11.379 3.440 10.943 1.00 1.00 C +ATOM 1639 CE1 HIS A 107 -13.167 2.444 10.170 1.00 1.00 C +ATOM 1640 NE2 HIS A 107 -12.079 2.313 10.983 1.00 1.00 N +ATOM 1641 H HIS A 107 -10.759 5.039 6.950 1.00 1.00 H +ATOM 1642 HA HIS A 107 -10.417 6.773 8.315 1.00 1.00 H +ATOM 1643 HB2 HIS A 107 -11.526 6.327 10.593 1.00 1.00 H +ATOM 1644 HB3 HIS A 107 -12.489 6.147 9.138 1.00 1.00 H +ATOM 1645 HD1 HIS A 107 -13.805 4.030 8.994 1.00 1.00 H +ATOM 1646 HD2 HIS A 107 -10.455 3.637 11.488 1.00 1.00 H +ATOM 1647 HE1 HIS A 107 -13.930 1.687 9.995 1.00 1.00 H +ATOM 1648 N ARG A 108 -7.995 6.060 9.024 1.00 1.00 N +ATOM 1649 CA ARG A 108 -6.704 6.039 9.690 1.00 1.00 C +ATOM 1650 C ARG A 108 -6.123 7.453 9.767 1.00 1.00 C +ATOM 1651 O ARG A 108 -5.688 8.004 8.757 1.00 1.00 O +ATOM 1652 CB ARG A 108 -5.719 5.129 8.955 1.00 1.00 C +ATOM 1653 CG ARG A 108 -6.132 3.662 9.077 1.00 1.00 C +ATOM 1654 CD ARG A 108 -5.766 3.101 10.453 1.00 1.00 C +ATOM 1655 NE ARG A 108 -6.875 2.274 10.974 1.00 1.00 N +ATOM 1656 CZ ARG A 108 -7.106 2.061 12.277 1.00 1.00 C +ATOM 1657 NH1 ARG A 108 -6.306 2.614 13.198 1.00 1.00 N +ATOM 1658 NH2 ARG A 108 -8.138 1.294 12.658 1.00 1.00 N +ATOM 1659 H ARG A 108 -7.969 6.317 8.057 1.00 1.00 H +ATOM 1660 HA ARG A 108 -6.911 5.646 10.686 1.00 1.00 H +ATOM 1661 HB2 ARG A 108 -5.674 5.411 7.902 1.00 1.00 H +ATOM 1662 HB3 ARG A 108 -4.718 5.266 9.362 1.00 1.00 H +ATOM 1663 HG2 ARG A 108 -7.206 3.566 8.917 1.00 1.00 H +ATOM 1664 HG3 ARG A 108 -5.640 3.076 8.300 1.00 1.00 H +ATOM 1665 HD2 ARG A 108 -4.856 2.504 10.381 1.00 1.00 H +ATOM 1666 HD3 ARG A 108 -5.556 3.920 11.143 1.00 1.00 H +ATOM 1667 HE ARG A 108 -7.491 1.845 10.313 1.00 1.00 H +ATOM 1668 HH11 ARG A 108 -5.537 3.187 12.914 1.00 1.00 H +ATOM 1669 HH12 ARG A 108 -6.479 2.456 14.170 1.00 1.00 H +ATOM 1670 HH21 ARG A 108 -8.734 0.881 11.971 1.00 1.00 H +ATOM 1671 HH22 ARG A 108 -8.310 1.136 13.630 1.00 1.00 H +ATOM 1672 N ASP A 109 -6.136 7.999 10.974 1.00 1.00 N +ATOM 1673 CA ASP A 109 -5.616 9.337 11.195 1.00 1.00 C +ATOM 1674 C ASP A 109 -6.240 10.297 10.178 1.00 1.00 C +ATOM 1675 O ASP A 109 -7.282 10.893 10.527 1.00 1.00 O +ATOM 1676 CB ASP A 109 -4.099 9.376 11.010 1.00 1.00 C +ATOM 1677 CG ASP A 109 -3.515 10.765 10.737 1.00 1.00 C +ATOM 1678 OD1 ASP A 109 -3.819 11.665 11.608 1.00 1.00 O +ATOM 1679 OD2 ASP A 109 -2.806 10.974 9.740 1.00 1.00 O +ATOM 1680 OXT ASP A 109 -5.725 10.460 9.076 1.00 1.00 O +ATOM 1681 H ASP A 109 -6.493 7.544 11.789 1.00 1.00 H +ATOM 1682 HA ASP A 109 -5.887 9.584 12.222 1.00 1.00 H +ATOM 1683 HB2 ASP A 109 -3.627 8.972 11.906 1.00 1.00 H +ATOM 1684 HB3 ASP A 109 -3.830 8.716 10.185 1.00 1.00 H +TER 1685 ASP A 109 +ENDMDL +MODEL 9 +ATOM 1 N GLY A 1 2.891 5.796 4.973 1.00 1.00 N +ATOM 2 CA GLY A 1 1.552 5.963 5.511 1.00 1.00 C +ATOM 3 C GLY A 1 0.968 4.620 5.954 1.00 1.00 C +ATOM 4 O GLY A 1 1.061 4.255 7.127 1.00 1.00 O +ATOM 5 H1 GLY A 1 2.944 4.923 4.461 1.00 1.00 H +ATOM 6 H2 GLY A 1 3.104 6.568 4.350 1.00 1.00 H +ATOM 7 H3 GLY A 1 3.561 5.782 5.735 1.00 1.00 H +ATOM 8 HA2 GLY A 1 1.578 6.650 6.356 1.00 1.00 H +ATOM 9 HA3 GLY A 1 0.906 6.412 4.755 1.00 1.00 H +ATOM 10 N SER A 2 0.378 3.922 4.996 1.00 1.00 N +ATOM 11 CA SER A 2 -0.220 2.627 5.274 1.00 1.00 C +ATOM 12 C SER A 2 0.468 1.543 4.442 1.00 1.00 C +ATOM 13 O SER A 2 1.057 0.613 4.994 1.00 1.00 O +ATOM 14 CB SER A 2 -1.723 2.642 4.986 1.00 1.00 C +ATOM 15 OG SER A 2 -2.361 3.793 5.534 1.00 1.00 O +ATOM 16 H SER A 2 0.307 4.225 4.045 1.00 1.00 H +ATOM 17 HA SER A 2 -0.057 2.455 6.337 1.00 1.00 H +ATOM 18 HB2 SER A 2 -1.887 2.616 3.908 1.00 1.00 H +ATOM 19 HB3 SER A 2 -2.180 1.743 5.399 1.00 1.00 H +ATOM 20 HG SER A 2 -2.410 4.517 4.845 1.00 1.00 H +ATOM 21 N GLY A 3 0.371 1.697 3.130 1.00 1.00 N +ATOM 22 CA GLY A 3 0.977 0.743 2.217 1.00 1.00 C +ATOM 23 C GLY A 3 -0.054 0.202 1.224 1.00 1.00 C +ATOM 24 O GLY A 3 -1.236 0.098 1.548 1.00 1.00 O +ATOM 25 H GLY A 3 -0.110 2.455 2.690 1.00 1.00 H +ATOM 26 HA2 GLY A 3 1.794 1.220 1.675 1.00 1.00 H +ATOM 27 HA3 GLY A 3 1.410 -0.082 2.783 1.00 1.00 H +ATOM 28 N ASN A 4 0.432 -0.127 0.037 1.00 1.00 N +ATOM 29 CA ASN A 4 -0.432 -0.654 -1.005 1.00 1.00 C +ATOM 30 C ASN A 4 -1.471 0.403 -1.385 1.00 1.00 C +ATOM 31 O ASN A 4 -2.294 0.796 -0.558 1.00 1.00 O +ATOM 32 CB ASN A 4 -1.182 -1.899 -0.523 1.00 1.00 C +ATOM 33 CG ASN A 4 -0.206 -3.027 -0.178 1.00 1.00 C +ATOM 34 OD1 ASN A 4 0.226 -3.790 -1.027 1.00 1.00 O +ATOM 35 ND2 ASN A 4 0.116 -3.088 1.111 1.00 1.00 N +ATOM 36 H ASN A 4 1.394 -0.038 -0.218 1.00 1.00 H +ATOM 37 HA ASN A 4 0.232 -0.901 -1.832 1.00 1.00 H +ATOM 38 HB2 ASN A 4 -1.780 -1.651 0.354 1.00 1.00 H +ATOM 39 HB3 ASN A 4 -1.873 -2.234 -1.296 1.00 1.00 H +ATOM 40 HD21 ASN A 4 -0.274 -2.431 1.756 1.00 1.00 H +ATOM 41 HD22 ASN A 4 0.748 -3.792 1.435 1.00 1.00 H +ATOM 42 N SER A 5 -1.398 0.836 -2.635 1.00 1.00 N +ATOM 43 CA SER A 5 -2.321 1.841 -3.135 1.00 1.00 C +ATOM 44 C SER A 5 -1.964 3.212 -2.557 1.00 1.00 C +ATOM 45 O SER A 5 -1.436 4.068 -3.266 1.00 1.00 O +ATOM 46 CB SER A 5 -3.768 1.480 -2.788 1.00 1.00 C +ATOM 47 OG SER A 5 -4.612 1.501 -3.935 1.00 1.00 O +ATOM 48 H SER A 5 -0.727 0.512 -3.301 1.00 1.00 H +ATOM 49 HA SER A 5 -2.197 1.836 -4.216 1.00 1.00 H +ATOM 50 HB2 SER A 5 -3.796 0.490 -2.333 1.00 1.00 H +ATOM 51 HB3 SER A 5 -4.149 2.182 -2.046 1.00 1.00 H +ATOM 52 HG SER A 5 -4.157 1.048 -4.703 1.00 1.00 H +ATOM 53 N LEU A 6 -2.267 3.378 -1.279 1.00 1.00 N +ATOM 54 CA LEU A 6 -1.984 4.630 -0.598 1.00 1.00 C +ATOM 55 C LEU A 6 -2.936 5.712 -1.112 1.00 1.00 C +ATOM 56 O LEU A 6 -3.157 5.828 -2.317 1.00 1.00 O +ATOM 57 CB LEU A 6 -0.506 4.996 -0.742 1.00 1.00 C +ATOM 58 CG LEU A 6 0.094 5.829 0.392 1.00 1.00 C +ATOM 59 CD1 LEU A 6 -0.587 7.198 0.484 1.00 1.00 C +ATOM 60 CD2 LEU A 6 0.037 5.071 1.719 1.00 1.00 C +ATOM 61 H LEU A 6 -2.697 2.676 -0.710 1.00 1.00 H +ATOM 62 HA LEU A 6 -2.175 4.477 0.463 1.00 1.00 H +ATOM 63 HB2 LEU A 6 0.070 4.075 -0.832 1.00 1.00 H +ATOM 64 HB3 LEU A 6 -0.375 5.543 -1.677 1.00 1.00 H +ATOM 65 HG LEU A 6 1.145 6.007 0.167 1.00 1.00 H +ATOM 66 HD11 LEU A 6 -0.994 7.467 -0.490 1.00 1.00 H +ATOM 67 HD12 LEU A 6 -1.393 7.154 1.215 1.00 1.00 H +ATOM 68 HD13 LEU A 6 0.144 7.946 0.792 1.00 1.00 H +ATOM 69 HD21 LEU A 6 0.247 4.017 1.543 1.00 1.00 H +ATOM 70 HD22 LEU A 6 0.781 5.481 2.403 1.00 1.00 H +ATOM 71 HD23 LEU A 6 -0.956 5.177 2.155 1.00 1.00 H +ATOM 72 N GLU A 7 -3.477 6.474 -0.173 1.00 1.00 N +ATOM 73 CA GLU A 7 -4.402 7.541 -0.516 1.00 1.00 C +ATOM 74 C GLU A 7 -3.643 8.735 -1.100 1.00 1.00 C +ATOM 75 O GLU A 7 -3.593 9.802 -0.492 1.00 1.00 O +ATOM 76 CB GLU A 7 -5.230 7.961 0.700 1.00 1.00 C +ATOM 77 CG GLU A 7 -6.705 7.601 0.509 1.00 1.00 C +ATOM 78 CD GLU A 7 -7.280 6.959 1.773 1.00 1.00 C +ATOM 79 OE1 GLU A 7 -7.135 7.514 2.872 1.00 1.00 O +ATOM 80 OE2 GLU A 7 -7.898 5.843 1.585 1.00 1.00 O +ATOM 81 H GLU A 7 -3.292 6.372 0.804 1.00 1.00 H +ATOM 82 HA GLU A 7 -5.066 7.119 -1.271 1.00 1.00 H +ATOM 83 HB2 GLU A 7 -4.845 7.470 1.593 1.00 1.00 H +ATOM 84 HB3 GLU A 7 -5.131 9.035 0.859 1.00 1.00 H +ATOM 85 HG2 GLU A 7 -7.272 8.500 0.262 1.00 1.00 H +ATOM 86 HG3 GLU A 7 -6.810 6.917 -0.332 1.00 1.00 H +ATOM 87 N LYS A 8 -3.070 8.513 -2.275 1.00 1.00 N +ATOM 88 CA LYS A 8 -2.316 9.556 -2.948 1.00 1.00 C +ATOM 89 C LYS A 8 -3.149 10.839 -2.986 1.00 1.00 C +ATOM 90 O LYS A 8 -3.207 11.574 -2.003 1.00 1.00 O +ATOM 91 CB LYS A 8 -1.857 9.080 -4.328 1.00 1.00 C +ATOM 92 CG LYS A 8 -1.173 10.211 -5.100 1.00 1.00 C +ATOM 93 CD LYS A 8 -0.326 11.078 -4.165 1.00 1.00 C +ATOM 94 CE LYS A 8 0.811 10.263 -3.542 1.00 1.00 C +ATOM 95 NZ LYS A 8 1.810 9.899 -4.571 1.00 1.00 N +ATOM 96 H LYS A 8 -3.115 7.641 -2.764 1.00 1.00 H +ATOM 97 HA LYS A 8 -1.419 9.744 -2.357 1.00 1.00 H +ATOM 98 HB2 LYS A 8 -1.168 8.243 -4.218 1.00 1.00 H +ATOM 99 HB3 LYS A 8 -2.714 8.714 -4.894 1.00 1.00 H +ATOM 100 HG2 LYS A 8 -0.543 9.792 -5.883 1.00 1.00 H +ATOM 101 HG3 LYS A 8 -1.926 10.828 -5.589 1.00 1.00 H +ATOM 102 HD2 LYS A 8 0.087 11.920 -4.721 1.00 1.00 H +ATOM 103 HD3 LYS A 8 -0.954 11.492 -3.378 1.00 1.00 H +ATOM 104 HE2 LYS A 8 1.288 10.840 -2.751 1.00 1.00 H +ATOM 105 HE3 LYS A 8 0.409 9.360 -3.082 1.00 1.00 H +ATOM 106 HZ1 LYS A 8 1.363 9.364 -5.301 1.00 1.00 H +ATOM 107 HZ2 LYS A 8 2.237 10.716 -4.993 1.00 1.00 H +ATOM 108 HZ3 LYS A 8 2.542 9.345 -4.147 1.00 1.00 H +ATOM 109 N HIS A 9 -3.773 11.067 -4.133 1.00 1.00 N +ATOM 110 CA HIS A 9 -4.601 12.247 -4.311 1.00 1.00 C +ATOM 111 C HIS A 9 -6.074 11.873 -4.132 1.00 1.00 C +ATOM 112 O HIS A 9 -6.391 10.745 -3.758 1.00 1.00 O +ATOM 113 CB HIS A 9 -4.318 12.910 -5.661 1.00 1.00 C +ATOM 114 CG HIS A 9 -2.963 13.571 -5.749 1.00 1.00 C +ATOM 115 ND1 HIS A 9 -2.024 13.492 -4.735 1.00 1.00 N +ATOM 116 CD2 HIS A 9 -2.399 14.321 -6.738 1.00 1.00 C +ATOM 117 CE1 HIS A 9 -0.946 14.168 -5.109 1.00 1.00 C +ATOM 118 NE2 HIS A 9 -1.182 14.683 -6.350 1.00 1.00 N +ATOM 119 H HIS A 9 -3.720 10.463 -4.928 1.00 1.00 H +ATOM 120 HA HIS A 9 -4.316 12.951 -3.529 1.00 1.00 H +ATOM 121 HB2 HIS A 9 -4.396 12.159 -6.447 1.00 1.00 H +ATOM 122 HB3 HIS A 9 -5.088 13.656 -5.857 1.00 1.00 H +ATOM 123 HD1 HIS A 9 -2.137 13.006 -3.870 1.00 1.00 H +ATOM 124 HD2 HIS A 9 -2.870 14.581 -7.687 1.00 1.00 H +ATOM 125 HE1 HIS A 9 -0.034 14.293 -4.527 1.00 1.00 H +ATOM 126 N SER A 10 -6.934 12.842 -4.407 1.00 1.00 N +ATOM 127 CA SER A 10 -8.366 12.630 -4.280 1.00 1.00 C +ATOM 128 C SER A 10 -8.906 11.945 -5.537 1.00 1.00 C +ATOM 129 O SER A 10 -10.114 11.941 -5.775 1.00 1.00 O +ATOM 130 CB SER A 10 -9.100 13.951 -4.038 1.00 1.00 C +ATOM 131 OG SER A 10 -10.439 13.743 -3.598 1.00 1.00 O +ATOM 132 H SER A 10 -6.669 13.758 -4.709 1.00 1.00 H +ATOM 133 HA SER A 10 -8.486 11.984 -3.411 1.00 1.00 H +ATOM 134 HB2 SER A 10 -8.561 14.535 -3.293 1.00 1.00 H +ATOM 135 HB3 SER A 10 -9.106 14.535 -4.958 1.00 1.00 H +ATOM 136 HG SER A 10 -10.939 13.193 -4.269 1.00 1.00 H +ATOM 137 N TRP A 11 -7.987 11.384 -6.309 1.00 1.00 N +ATOM 138 CA TRP A 11 -8.356 10.699 -7.535 1.00 1.00 C +ATOM 139 C TRP A 11 -7.652 9.340 -7.546 1.00 1.00 C +ATOM 140 O TRP A 11 -7.670 8.637 -8.556 1.00 1.00 O +ATOM 141 CB TRP A 11 -8.027 11.553 -8.762 1.00 1.00 C +ATOM 142 CG TRP A 11 -6.654 12.225 -8.700 1.00 1.00 C +ATOM 143 CD1 TRP A 11 -6.379 13.525 -8.535 1.00 1.00 C +ATOM 144 CD2 TRP A 11 -5.372 11.572 -8.813 1.00 1.00 C +ATOM 145 NE1 TRP A 11 -5.020 13.759 -8.533 1.00 1.00 N +ATOM 146 CE2 TRP A 11 -4.387 12.534 -8.707 1.00 1.00 C +ATOM 147 CE3 TRP A 11 -5.054 10.215 -8.997 1.00 1.00 C +ATOM 148 CZ2 TRP A 11 -3.020 12.240 -8.773 1.00 1.00 C +ATOM 149 CZ3 TRP A 11 -3.682 9.939 -9.061 1.00 1.00 C +ATOM 150 CH2 TRP A 11 -2.679 10.895 -8.956 1.00 1.00 C +ATOM 151 H TRP A 11 -7.008 11.394 -6.107 1.00 1.00 H +ATOM 152 HA TRP A 11 -9.437 10.559 -7.526 1.00 1.00 H +ATOM 153 HB2 TRP A 11 -8.074 10.924 -9.651 1.00 1.00 H +ATOM 154 HB3 TRP A 11 -8.792 12.321 -8.871 1.00 1.00 H +ATOM 155 HD1 TRP A 11 -7.135 14.302 -8.418 1.00 1.00 H +ATOM 156 HE1 TRP A 11 -4.531 14.727 -8.415 1.00 1.00 H +ATOM 157 HE3 TRP A 11 -5.813 9.438 -9.083 1.00 1.00 H +ATOM 158 HZ2 TRP A 11 -2.260 13.018 -8.686 1.00 1.00 H +ATOM 159 HZ3 TRP A 11 -3.382 8.901 -9.203 1.00 1.00 H +ATOM 160 HH2 TRP A 11 -1.632 10.598 -9.017 1.00 1.00 H +ATOM 161 N TYR A 12 -7.052 9.010 -6.412 1.00 1.00 N +ATOM 162 CA TYR A 12 -6.344 7.748 -6.280 1.00 1.00 C +ATOM 163 C TYR A 12 -7.079 6.805 -5.325 1.00 1.00 C +ATOM 164 O TYR A 12 -7.081 7.021 -4.114 1.00 1.00 O +ATOM 165 CB TYR A 12 -4.977 8.092 -5.687 1.00 1.00 C +ATOM 166 CG TYR A 12 -3.875 7.091 -6.040 1.00 1.00 C +ATOM 167 CD1 TYR A 12 -3.999 5.769 -5.668 1.00 1.00 C +ATOM 168 CD2 TYR A 12 -2.756 7.512 -6.733 1.00 1.00 C +ATOM 169 CE1 TYR A 12 -2.963 4.826 -6.002 1.00 1.00 C +ATOM 170 CE2 TYR A 12 -1.720 6.569 -7.066 1.00 1.00 C +ATOM 171 CZ TYR A 12 -1.874 5.273 -6.685 1.00 1.00 C +ATOM 172 OH TYR A 12 -0.895 4.384 -6.999 1.00 1.00 O +ATOM 173 H TYR A 12 -7.042 9.588 -5.596 1.00 1.00 H +ATOM 174 HA TYR A 12 -6.292 7.286 -7.266 1.00 1.00 H +ATOM 175 HB2 TYR A 12 -4.679 9.082 -6.033 1.00 1.00 H +ATOM 176 HB3 TYR A 12 -5.067 8.148 -4.601 1.00 1.00 H +ATOM 177 HD1 TYR A 12 -4.883 5.436 -5.122 1.00 1.00 H +ATOM 178 HD2 TYR A 12 -2.659 8.557 -7.026 1.00 1.00 H +ATOM 179 HE1 TYR A 12 -3.048 3.778 -5.714 1.00 1.00 H +ATOM 180 HE2 TYR A 12 -0.832 6.888 -7.612 1.00 1.00 H +ATOM 181 HH TYR A 12 -1.010 4.069 -7.942 1.00 1.00 H +ATOM 182 N HIS A 13 -7.687 5.781 -5.906 1.00 1.00 N +ATOM 183 CA HIS A 13 -8.424 4.806 -5.121 1.00 1.00 C +ATOM 184 C HIS A 13 -7.686 3.464 -5.146 1.00 1.00 C +ATOM 185 O HIS A 13 -7.518 2.826 -4.109 1.00 1.00 O +ATOM 186 CB HIS A 13 -9.869 4.696 -5.610 1.00 1.00 C +ATOM 187 CG HIS A 13 -10.501 6.022 -5.961 1.00 1.00 C +ATOM 188 ND1 HIS A 13 -11.798 6.352 -5.605 1.00 1.00 N +ATOM 189 CD2 HIS A 13 -10.002 7.097 -6.635 1.00 1.00 C +ATOM 190 CE1 HIS A 13 -12.057 7.572 -6.053 1.00 1.00 C +ATOM 191 NE2 HIS A 13 -10.942 8.032 -6.691 1.00 1.00 N +ATOM 192 H HIS A 13 -7.681 5.614 -6.892 1.00 1.00 H +ATOM 193 HA HIS A 13 -8.446 5.180 -4.098 1.00 1.00 H +ATOM 194 HB2 HIS A 13 -9.898 4.049 -6.486 1.00 1.00 H +ATOM 195 HB3 HIS A 13 -10.468 4.213 -4.837 1.00 1.00 H +ATOM 196 HD1 HIS A 13 -12.432 5.769 -5.097 1.00 1.00 H +ATOM 197 HD2 HIS A 13 -8.999 7.175 -7.058 1.00 1.00 H +ATOM 198 HE1 HIS A 13 -12.995 8.114 -5.931 1.00 1.00 H +ATOM 199 N GLY A 14 -7.268 3.079 -6.343 1.00 1.00 N +ATOM 200 CA GLY A 14 -6.553 1.826 -6.517 1.00 1.00 C +ATOM 201 C GLY A 14 -6.386 1.491 -8.001 1.00 1.00 C +ATOM 202 O GLY A 14 -6.772 2.276 -8.865 1.00 1.00 O +ATOM 203 H GLY A 14 -7.409 3.604 -7.181 1.00 1.00 H +ATOM 204 HA2 GLY A 14 -5.573 1.893 -6.043 1.00 1.00 H +ATOM 205 HA3 GLY A 14 -7.094 1.022 -6.017 1.00 1.00 H +ATOM 206 N PRO A 15 -5.793 0.294 -8.256 1.00 1.00 N +ATOM 207 CA PRO A 15 -5.569 -0.155 -9.620 1.00 1.00 C +ATOM 208 C PRO A 15 -6.876 -0.624 -10.263 1.00 1.00 C +ATOM 209 O PRO A 15 -7.536 -1.526 -9.751 1.00 1.00 O +ATOM 210 CB PRO A 15 -4.533 -1.259 -9.506 1.00 1.00 C +ATOM 211 CG PRO A 15 -4.558 -1.706 -8.055 1.00 1.00 C +ATOM 212 CD PRO A 15 -5.322 -0.660 -7.258 1.00 1.00 C +ATOM 213 HA PRO A 15 -5.244 0.604 -10.186 1.00 1.00 H +ATOM 214 HB2 PRO A 15 -4.770 -2.088 -10.174 1.00 1.00 H +ATOM 215 HB3 PRO A 15 -3.544 -0.897 -9.788 1.00 1.00 H +ATOM 216 HG2 PRO A 15 -5.036 -2.681 -7.962 1.00 1.00 H +ATOM 217 HG3 PRO A 15 -3.543 -1.811 -7.670 1.00 1.00 H +ATOM 218 HD2 PRO A 15 -6.154 -1.107 -6.713 1.00 1.00 H +ATOM 219 HD3 PRO A 15 -4.682 -0.179 -6.520 1.00 1.00 H +ATOM 220 N VAL A 16 -7.211 0.010 -11.379 1.00 1.00 N +ATOM 221 CA VAL A 16 -8.426 -0.332 -12.098 1.00 1.00 C +ATOM 222 C VAL A 16 -8.074 -0.694 -13.543 1.00 1.00 C +ATOM 223 O VAL A 16 -7.695 0.172 -14.328 1.00 1.00 O +ATOM 224 CB VAL A 16 -9.434 0.815 -11.997 1.00 1.00 C +ATOM 225 CG1 VAL A 16 -10.648 0.556 -12.889 1.00 1.00 C +ATOM 226 CG2 VAL A 16 -9.858 1.047 -10.546 1.00 1.00 C +ATOM 227 H VAL A 16 -6.668 0.742 -11.790 1.00 1.00 H +ATOM 228 HA VAL A 16 -8.860 -1.207 -11.612 1.00 1.00 H +ATOM 229 HB VAL A 16 -8.944 1.722 -12.352 1.00 1.00 H +ATOM 230 HG11 VAL A 16 -10.517 -0.386 -13.419 1.00 1.00 H +ATOM 231 HG12 VAL A 16 -11.547 0.503 -12.274 1.00 1.00 H +ATOM 232 HG13 VAL A 16 -10.750 1.368 -13.611 1.00 1.00 H +ATOM 233 HG21 VAL A 16 -10.272 0.125 -10.136 1.00 1.00 H +ATOM 234 HG22 VAL A 16 -8.991 1.347 -9.957 1.00 1.00 H +ATOM 235 HG23 VAL A 16 -10.613 1.832 -10.508 1.00 1.00 H +ATOM 236 N SER A 17 -8.213 -1.975 -13.848 1.00 1.00 N +ATOM 237 CA SER A 17 -7.915 -2.464 -15.183 1.00 1.00 C +ATOM 238 C SER A 17 -8.756 -1.709 -16.216 1.00 1.00 C +ATOM 239 O SER A 17 -9.936 -1.447 -15.988 1.00 1.00 O +ATOM 240 CB SER A 17 -8.169 -3.968 -15.289 1.00 1.00 C +ATOM 241 OG SER A 17 -6.969 -4.695 -15.550 1.00 1.00 O +ATOM 242 H SER A 17 -8.523 -2.675 -13.202 1.00 1.00 H +ATOM 243 HA SER A 17 -6.854 -2.263 -15.333 1.00 1.00 H +ATOM 244 HB2 SER A 17 -8.615 -4.327 -14.363 1.00 1.00 H +ATOM 245 HB3 SER A 17 -8.887 -4.160 -16.085 1.00 1.00 H +ATOM 246 HG SER A 17 -7.190 -5.602 -15.909 1.00 1.00 H +ATOM 247 N ARG A 18 -8.115 -1.383 -17.329 1.00 1.00 N +ATOM 248 CA ARG A 18 -8.790 -0.663 -18.395 1.00 1.00 C +ATOM 249 C ARG A 18 -10.161 -1.283 -18.669 1.00 1.00 C +ATOM 250 O ARG A 18 -11.105 -0.579 -19.025 1.00 1.00 O +ATOM 251 CB ARG A 18 -7.963 -0.686 -19.683 1.00 1.00 C +ATOM 252 CG ARG A 18 -8.784 -1.232 -20.854 1.00 1.00 C +ATOM 253 CD ARG A 18 -7.888 -1.538 -22.056 1.00 1.00 C +ATOM 254 NE ARG A 18 -8.706 -1.626 -23.287 1.00 1.00 N +ATOM 255 CZ ARG A 18 -9.270 -2.755 -23.734 1.00 1.00 C +ATOM 256 NH1 ARG A 18 -9.109 -3.899 -23.055 1.00 1.00 N +ATOM 257 NH2 ARG A 18 -9.995 -2.741 -24.861 1.00 1.00 N +ATOM 258 H ARG A 18 -7.155 -1.600 -17.506 1.00 1.00 H +ATOM 259 HA ARG A 18 -8.886 0.357 -18.027 1.00 1.00 H +ATOM 260 HB2 ARG A 18 -7.617 0.322 -19.916 1.00 1.00 H +ATOM 261 HB3 ARG A 18 -7.075 -1.301 -19.538 1.00 1.00 H +ATOM 262 HG2 ARG A 18 -9.305 -2.138 -20.545 1.00 1.00 H +ATOM 263 HG3 ARG A 18 -9.544 -0.506 -21.138 1.00 1.00 H +ATOM 264 HD2 ARG A 18 -7.134 -0.758 -22.166 1.00 1.00 H +ATOM 265 HD3 ARG A 18 -7.356 -2.475 -21.895 1.00 1.00 H +ATOM 266 HE ARG A 18 -8.845 -0.790 -23.817 1.00 1.00 H +ATOM 267 HH11 ARG A 18 -8.568 -3.910 -22.214 1.00 1.00 H +ATOM 268 HH12 ARG A 18 -9.530 -4.742 -23.388 1.00 1.00 H +ATOM 269 HH21 ARG A 18 -10.116 -1.888 -25.367 1.00 1.00 H +ATOM 270 HH22 ARG A 18 -10.417 -3.584 -25.194 1.00 1.00 H +ATOM 271 N ASN A 19 -10.228 -2.594 -18.493 1.00 1.00 N +ATOM 272 CA ASN A 19 -11.470 -3.317 -18.715 1.00 1.00 C +ATOM 273 C ASN A 19 -12.609 -2.602 -17.985 1.00 1.00 C +ATOM 274 O ASN A 19 -13.605 -2.228 -18.599 1.00 1.00 O +ATOM 275 CB ASN A 19 -11.381 -4.744 -18.172 1.00 1.00 C +ATOM 276 CG ASN A 19 -12.719 -5.471 -18.321 1.00 1.00 C +ATOM 277 OD1 ASN A 19 -13.565 -5.455 -17.441 1.00 1.00 O +ATOM 278 ND2 ASN A 19 -12.863 -6.107 -19.479 1.00 1.00 N +ATOM 279 H ASN A 19 -9.456 -3.160 -18.204 1.00 1.00 H +ATOM 280 HA ASN A 19 -11.607 -3.323 -19.797 1.00 1.00 H +ATOM 281 HB2 ASN A 19 -10.604 -5.293 -18.706 1.00 1.00 H +ATOM 282 HB3 ASN A 19 -11.090 -4.721 -17.122 1.00 1.00 H +ATOM 283 HD21 ASN A 19 -12.131 -6.081 -20.159 1.00 1.00 H +ATOM 284 HD22 ASN A 19 -13.705 -6.613 -19.671 1.00 1.00 H +ATOM 285 N ALA A 20 -12.422 -2.436 -16.684 1.00 1.00 N +ATOM 286 CA ALA A 20 -13.421 -1.773 -15.862 1.00 1.00 C +ATOM 287 C ALA A 20 -13.614 -0.340 -16.360 1.00 1.00 C +ATOM 288 O ALA A 20 -14.740 0.149 -16.437 1.00 1.00 O +ATOM 289 CB ALA A 20 -12.995 -1.831 -14.395 1.00 1.00 C +ATOM 290 H ALA A 20 -11.608 -2.744 -16.192 1.00 1.00 H +ATOM 291 HA ALA A 20 -14.359 -2.318 -15.978 1.00 1.00 H +ATOM 292 HB1 ALA A 20 -11.931 -1.612 -14.317 1.00 1.00 H +ATOM 293 HB2 ALA A 20 -13.561 -1.094 -13.824 1.00 1.00 H +ATOM 294 HB3 ALA A 20 -13.192 -2.826 -13.997 1.00 1.00 H +ATOM 295 N ALA A 21 -12.496 0.297 -16.682 1.00 1.00 N +ATOM 296 CA ALA A 21 -12.528 1.665 -17.170 1.00 1.00 C +ATOM 297 C ALA A 21 -13.603 1.793 -18.250 1.00 1.00 C +ATOM 298 O ALA A 21 -14.563 2.543 -18.089 1.00 1.00 O +ATOM 299 CB ALA A 21 -11.140 2.058 -17.677 1.00 1.00 C +ATOM 300 H ALA A 21 -11.584 -0.109 -16.615 1.00 1.00 H +ATOM 301 HA ALA A 21 -12.789 2.309 -16.330 1.00 1.00 H +ATOM 302 HB1 ALA A 21 -10.387 1.423 -17.208 1.00 1.00 H +ATOM 303 HB2 ALA A 21 -11.099 1.929 -18.759 1.00 1.00 H +ATOM 304 HB3 ALA A 21 -10.943 3.100 -17.428 1.00 1.00 H +ATOM 305 N GLU A 22 -13.403 1.048 -19.328 1.00 1.00 N +ATOM 306 CA GLU A 22 -14.344 1.069 -20.436 1.00 1.00 C +ATOM 307 C GLU A 22 -15.706 0.535 -19.985 1.00 1.00 C +ATOM 308 O GLU A 22 -16.741 0.949 -20.505 1.00 1.00 O +ATOM 309 CB GLU A 22 -13.808 0.269 -21.625 1.00 1.00 C +ATOM 310 CG GLU A 22 -12.611 -0.589 -21.214 1.00 1.00 C +ATOM 311 CD GLU A 22 -12.248 -1.589 -22.314 1.00 1.00 C +ATOM 312 OE1 GLU A 22 -11.783 -1.119 -23.375 1.00 1.00 O +ATOM 313 OE2 GLU A 22 -12.443 -2.798 -22.071 1.00 1.00 O +ATOM 314 H GLU A 22 -12.620 0.440 -19.450 1.00 1.00 H +ATOM 315 HA GLU A 22 -14.434 2.116 -20.721 1.00 1.00 H +ATOM 316 HB2 GLU A 22 -14.597 -0.368 -22.025 1.00 1.00 H +ATOM 317 HB3 GLU A 22 -13.516 0.950 -22.424 1.00 1.00 H +ATOM 318 HG2 GLU A 22 -11.754 0.052 -21.002 1.00 1.00 H +ATOM 319 HG3 GLU A 22 -12.841 -1.125 -20.293 1.00 1.00 H +ATOM 320 N TYR A 23 -15.662 -0.375 -19.024 1.00 1.00 N +ATOM 321 CA TYR A 23 -16.879 -0.970 -18.499 1.00 1.00 C +ATOM 322 C TYR A 23 -17.703 0.062 -17.725 1.00 1.00 C +ATOM 323 O TYR A 23 -18.793 0.438 -18.153 1.00 1.00 O +ATOM 324 CB TYR A 23 -16.429 -2.071 -17.536 1.00 1.00 C +ATOM 325 CG TYR A 23 -17.563 -2.979 -17.056 1.00 1.00 C +ATOM 326 CD1 TYR A 23 -18.419 -3.556 -17.973 1.00 1.00 C +ATOM 327 CD2 TYR A 23 -17.730 -3.221 -15.708 1.00 1.00 C +ATOM 328 CE1 TYR A 23 -19.486 -4.411 -17.521 1.00 1.00 C +ATOM 329 CE2 TYR A 23 -18.797 -4.075 -15.256 1.00 1.00 C +ATOM 330 CZ TYR A 23 -19.622 -4.629 -16.186 1.00 1.00 C +ATOM 331 OH TYR A 23 -20.631 -5.436 -15.759 1.00 1.00 O +ATOM 332 H TYR A 23 -14.814 -0.707 -18.607 1.00 1.00 H +ATOM 333 HA TYR A 23 -17.466 -1.335 -19.341 1.00 1.00 H +ATOM 334 HB2 TYR A 23 -15.671 -2.682 -18.028 1.00 1.00 H +ATOM 335 HB3 TYR A 23 -15.954 -1.610 -16.670 1.00 1.00 H +ATOM 336 HD1 TYR A 23 -18.288 -3.365 -19.038 1.00 1.00 H +ATOM 337 HD2 TYR A 23 -17.054 -2.765 -14.985 1.00 1.00 H +ATOM 338 HE1 TYR A 23 -20.170 -4.873 -18.234 1.00 1.00 H +ATOM 339 HE2 TYR A 23 -18.939 -4.275 -14.195 1.00 1.00 H +ATOM 340 HH TYR A 23 -21.514 -4.999 -15.930 1.00 1.00 H +ATOM 341 N LEU A 24 -17.150 0.491 -16.600 1.00 1.00 N +ATOM 342 CA LEU A 24 -17.819 1.471 -15.762 1.00 1.00 C +ATOM 343 C LEU A 24 -17.963 2.783 -16.537 1.00 1.00 C +ATOM 344 O LEU A 24 -18.657 3.696 -16.094 1.00 1.00 O +ATOM 345 CB LEU A 24 -17.091 1.623 -14.426 1.00 1.00 C +ATOM 346 CG LEU A 24 -17.979 1.827 -13.197 1.00 1.00 C +ATOM 347 CD1 LEU A 24 -18.718 0.539 -12.834 1.00 1.00 C +ATOM 348 CD2 LEU A 24 -17.168 2.374 -12.021 1.00 1.00 C +ATOM 349 H LEU A 24 -16.263 0.178 -16.259 1.00 1.00 H +ATOM 350 HA LEU A 24 -18.817 1.088 -15.545 1.00 1.00 H +ATOM 351 HB2 LEU A 24 -16.481 0.733 -14.265 1.00 1.00 H +ATOM 352 HB3 LEU A 24 -16.407 2.467 -14.501 1.00 1.00 H +ATOM 353 HG LEU A 24 -18.734 2.574 -13.443 1.00 1.00 H +ATOM 354 HD11 LEU A 24 -18.002 -0.277 -12.739 1.00 1.00 H +ATOM 355 HD12 LEU A 24 -19.242 0.674 -11.887 1.00 1.00 H +ATOM 356 HD13 LEU A 24 -19.440 0.300 -13.616 1.00 1.00 H +ATOM 357 HD21 LEU A 24 -16.211 1.856 -11.967 1.00 1.00 H +ATOM 358 HD22 LEU A 24 -16.997 3.441 -12.162 1.00 1.00 H +ATOM 359 HD23 LEU A 24 -17.720 2.214 -11.094 1.00 1.00 H +ATOM 360 N LEU A 25 -17.295 2.833 -17.681 1.00 1.00 N +ATOM 361 CA LEU A 25 -17.339 4.019 -18.520 1.00 1.00 C +ATOM 362 C LEU A 25 -18.797 4.426 -18.744 1.00 1.00 C +ATOM 363 O LEU A 25 -19.092 5.602 -18.947 1.00 1.00 O +ATOM 364 CB LEU A 25 -16.559 3.787 -19.816 1.00 1.00 C +ATOM 365 CG LEU A 25 -15.577 4.890 -20.214 1.00 1.00 C +ATOM 366 CD1 LEU A 25 -16.275 6.249 -20.279 1.00 1.00 C +ATOM 367 CD2 LEU A 25 -14.368 4.912 -19.277 1.00 1.00 C +ATOM 368 H LEU A 25 -16.733 2.087 -18.034 1.00 1.00 H +ATOM 369 HA LEU A 25 -16.836 4.821 -17.980 1.00 1.00 H +ATOM 370 HB2 LEU A 25 -16.007 2.852 -19.721 1.00 1.00 H +ATOM 371 HB3 LEU A 25 -17.275 3.654 -20.627 1.00 1.00 H +ATOM 372 HG LEU A 25 -15.203 4.671 -21.215 1.00 1.00 H +ATOM 373 HD11 LEU A 25 -17.144 6.180 -20.935 1.00 1.00 H +ATOM 374 HD12 LEU A 25 -16.597 6.541 -19.281 1.00 1.00 H +ATOM 375 HD13 LEU A 25 -15.583 6.995 -20.671 1.00 1.00 H +ATOM 376 HD21 LEU A 25 -14.701 4.751 -18.251 1.00 1.00 H +ATOM 377 HD22 LEU A 25 -13.672 4.122 -19.561 1.00 1.00 H +ATOM 378 HD23 LEU A 25 -13.869 5.879 -19.349 1.00 1.00 H +ATOM 379 N SER A 26 -19.670 3.430 -18.699 1.00 1.00 N +ATOM 380 CA SER A 26 -21.089 3.669 -18.895 1.00 1.00 C +ATOM 381 C SER A 26 -21.736 4.088 -17.573 1.00 1.00 C +ATOM 382 O SER A 26 -22.756 3.529 -17.172 1.00 1.00 O +ATOM 383 CB SER A 26 -21.785 2.429 -19.457 1.00 1.00 C +ATOM 384 OG SER A 26 -23.193 2.615 -19.578 1.00 1.00 O +ATOM 385 H SER A 26 -19.421 2.476 -18.534 1.00 1.00 H +ATOM 386 HA SER A 26 -21.148 4.479 -19.622 1.00 1.00 H +ATOM 387 HB2 SER A 26 -21.366 2.190 -20.434 1.00 1.00 H +ATOM 388 HB3 SER A 26 -21.586 1.576 -18.808 1.00 1.00 H +ATOM 389 HG SER A 26 -23.472 2.498 -20.531 1.00 1.00 H +ATOM 390 N SER A 27 -21.117 5.067 -16.932 1.00 1.00 N +ATOM 391 CA SER A 27 -21.619 5.569 -15.663 1.00 1.00 C +ATOM 392 C SER A 27 -20.567 6.454 -14.996 1.00 1.00 C +ATOM 393 O SER A 27 -20.249 6.269 -13.821 1.00 1.00 O +ATOM 394 CB SER A 27 -22.012 4.417 -14.735 1.00 1.00 C +ATOM 395 OG SER A 27 -22.120 4.840 -13.378 1.00 1.00 O +ATOM 396 H SER A 27 -20.288 5.518 -17.264 1.00 1.00 H +ATOM 397 HA SER A 27 -22.506 6.150 -15.913 1.00 1.00 H +ATOM 398 HB2 SER A 27 -22.963 3.997 -15.060 1.00 1.00 H +ATOM 399 HB3 SER A 27 -21.270 3.623 -14.809 1.00 1.00 H +ATOM 400 HG SER A 27 -22.681 4.192 -12.862 1.00 1.00 H +ATOM 401 N GLY A 28 -20.053 7.397 -15.771 1.00 1.00 N +ATOM 402 CA GLY A 28 -19.042 8.311 -15.270 1.00 1.00 C +ATOM 403 C GLY A 28 -19.594 9.734 -15.162 1.00 1.00 C +ATOM 404 O GLY A 28 -20.800 9.945 -15.277 1.00 1.00 O +ATOM 405 H GLY A 28 -20.315 7.539 -16.726 1.00 1.00 H +ATOM 406 HA2 GLY A 28 -18.696 7.976 -14.292 1.00 1.00 H +ATOM 407 HA3 GLY A 28 -18.177 8.303 -15.933 1.00 1.00 H +ATOM 408 N ILE A 29 -18.685 10.672 -14.944 1.00 1.00 N +ATOM 409 CA ILE A 29 -19.067 12.069 -14.820 1.00 1.00 C +ATOM 410 C ILE A 29 -18.856 12.773 -16.162 1.00 1.00 C +ATOM 411 O ILE A 29 -18.657 12.119 -17.185 1.00 1.00 O +ATOM 412 CB ILE A 29 -18.320 12.727 -13.657 1.00 1.00 C +ATOM 413 CG1 ILE A 29 -16.854 12.974 -14.017 1.00 1.00 C +ATOM 414 CG2 ILE A 29 -18.466 11.904 -12.375 1.00 1.00 C +ATOM 415 CD1 ILE A 29 -16.125 13.694 -12.881 1.00 1.00 C +ATOM 416 H ILE A 29 -17.706 10.493 -14.852 1.00 1.00 H +ATOM 417 HA ILE A 29 -20.129 12.098 -14.577 1.00 1.00 H +ATOM 418 HB ILE A 29 -18.774 13.700 -13.468 1.00 1.00 H +ATOM 419 HG12 ILE A 29 -16.363 12.023 -14.224 1.00 1.00 H +ATOM 420 HG13 ILE A 29 -16.794 13.569 -14.927 1.00 1.00 H +ATOM 421 HG21 ILE A 29 -19.139 11.066 -12.557 1.00 1.00 H +ATOM 422 HG22 ILE A 29 -17.489 11.526 -12.073 1.00 1.00 H +ATOM 423 HG23 ILE A 29 -18.873 12.532 -11.585 1.00 1.00 H +ATOM 424 HD11 ILE A 29 -16.226 13.118 -11.961 1.00 1.00 H +ATOM 425 HD12 ILE A 29 -15.068 13.793 -13.133 1.00 1.00 H +ATOM 426 HD13 ILE A 29 -16.559 14.684 -12.741 1.00 1.00 H +ATOM 427 N ASN A 30 -18.908 14.095 -16.115 1.00 1.00 N +ATOM 428 CA ASN A 30 -18.725 14.894 -17.316 1.00 1.00 C +ATOM 429 C ASN A 30 -17.232 15.005 -17.627 1.00 1.00 C +ATOM 430 O ASN A 30 -16.781 16.006 -18.180 1.00 1.00 O +ATOM 431 CB ASN A 30 -19.274 16.309 -17.124 1.00 1.00 C +ATOM 432 CG ASN A 30 -20.727 16.402 -17.592 1.00 1.00 C +ATOM 433 OD1 ASN A 30 -21.192 15.631 -18.415 1.00 1.00 O +ATOM 434 ND2 ASN A 30 -21.416 17.389 -17.025 1.00 1.00 N +ATOM 435 H ASN A 30 -19.070 14.618 -15.279 1.00 1.00 H +ATOM 436 HA ASN A 30 -19.277 14.369 -18.095 1.00 1.00 H +ATOM 437 HB2 ASN A 30 -19.208 16.590 -16.072 1.00 1.00 H +ATOM 438 HB3 ASN A 30 -18.661 17.020 -17.681 1.00 1.00 H +ATOM 439 HD21 ASN A 30 -20.974 17.988 -16.358 1.00 1.00 H +ATOM 440 HD22 ASN A 30 -22.375 17.531 -17.268 1.00 1.00 H +ATOM 441 N GLY A 31 -16.504 13.959 -17.260 1.00 1.00 N +ATOM 442 CA GLY A 31 -15.071 13.926 -17.493 1.00 1.00 C +ATOM 443 C GLY A 31 -14.314 13.579 -16.210 1.00 1.00 C +ATOM 444 O GLY A 31 -14.383 14.315 -15.227 1.00 1.00 O +ATOM 445 H GLY A 31 -16.878 13.148 -16.811 1.00 1.00 H +ATOM 446 HA2 GLY A 31 -14.842 13.190 -18.266 1.00 1.00 H +ATOM 447 HA3 GLY A 31 -14.736 14.895 -17.867 1.00 1.00 H +ATOM 448 N SER A 32 -13.609 12.458 -16.260 1.00 1.00 N +ATOM 449 CA SER A 32 -12.840 12.006 -15.113 1.00 1.00 C +ATOM 450 C SER A 32 -11.705 11.090 -15.573 1.00 1.00 C +ATOM 451 O SER A 32 -11.861 10.333 -16.530 1.00 1.00 O +ATOM 452 CB SER A 32 -13.732 11.280 -14.104 1.00 1.00 C +ATOM 453 OG SER A 32 -14.497 10.245 -14.715 1.00 1.00 O +ATOM 454 H SER A 32 -13.559 11.865 -17.064 1.00 1.00 H +ATOM 455 HA SER A 32 -12.440 12.912 -14.658 1.00 1.00 H +ATOM 456 HB2 SER A 32 -13.113 10.854 -13.314 1.00 1.00 H +ATOM 457 HB3 SER A 32 -14.402 11.998 -13.631 1.00 1.00 H +ATOM 458 HG SER A 32 -13.931 9.433 -14.847 1.00 1.00 H +ATOM 459 N PHE A 33 -10.586 11.188 -14.871 1.00 1.00 N +ATOM 460 CA PHE A 33 -9.424 10.377 -15.195 1.00 1.00 C +ATOM 461 C PHE A 33 -9.082 9.426 -14.047 1.00 1.00 C +ATOM 462 O PHE A 33 -8.929 9.854 -12.904 1.00 1.00 O +ATOM 463 CB PHE A 33 -8.254 11.339 -15.410 1.00 1.00 C +ATOM 464 CG PHE A 33 -8.590 12.539 -16.297 1.00 1.00 C +ATOM 465 CD1 PHE A 33 -9.778 13.184 -16.148 1.00 1.00 C +ATOM 466 CD2 PHE A 33 -7.699 12.963 -17.235 1.00 1.00 C +ATOM 467 CE1 PHE A 33 -10.090 14.299 -16.971 1.00 1.00 C +ATOM 468 CE2 PHE A 33 -8.011 14.076 -18.057 1.00 1.00 C +ATOM 469 CZ PHE A 33 -9.199 14.721 -17.909 1.00 1.00 C +ATOM 470 H PHE A 33 -10.467 11.806 -14.093 1.00 1.00 H +ATOM 471 HA PHE A 33 -9.672 9.797 -16.084 1.00 1.00 H +ATOM 472 HB2 PHE A 33 -7.912 11.701 -14.441 1.00 1.00 H +ATOM 473 HB3 PHE A 33 -7.424 10.791 -15.857 1.00 1.00 H +ATOM 474 HD1 PHE A 33 -10.491 12.845 -15.397 1.00 1.00 H +ATOM 475 HD2 PHE A 33 -6.746 12.446 -17.352 1.00 1.00 H +ATOM 476 HE1 PHE A 33 -11.042 14.815 -16.852 1.00 1.00 H +ATOM 477 HE2 PHE A 33 -7.297 14.416 -18.808 1.00 1.00 H +ATOM 478 HZ PHE A 33 -9.438 15.577 -18.540 1.00 1.00 H +ATOM 479 N LEU A 34 -8.975 8.150 -14.391 1.00 1.00 N +ATOM 480 CA LEU A 34 -8.654 7.134 -13.403 1.00 1.00 C +ATOM 481 C LEU A 34 -7.368 6.415 -13.817 1.00 1.00 C +ATOM 482 O LEU A 34 -7.320 5.774 -14.867 1.00 1.00 O +ATOM 483 CB LEU A 34 -9.843 6.195 -13.195 1.00 1.00 C +ATOM 484 CG LEU A 34 -10.097 5.176 -14.309 1.00 1.00 C +ATOM 485 CD1 LEU A 34 -10.910 3.988 -13.790 1.00 1.00 C +ATOM 486 CD2 LEU A 34 -10.759 5.839 -15.518 1.00 1.00 C +ATOM 487 H LEU A 34 -9.102 7.809 -15.323 1.00 1.00 H +ATOM 488 HA LEU A 34 -8.475 7.642 -12.456 1.00 1.00 H +ATOM 489 HB2 LEU A 34 -9.694 5.652 -12.261 1.00 1.00 H +ATOM 490 HB3 LEU A 34 -10.742 6.800 -13.072 1.00 1.00 H +ATOM 491 HG LEU A 34 -9.134 4.787 -14.641 1.00 1.00 H +ATOM 492 HD11 LEU A 34 -11.754 4.352 -13.206 1.00 1.00 H +ATOM 493 HD12 LEU A 34 -11.276 3.403 -14.634 1.00 1.00 H +ATOM 494 HD13 LEU A 34 -10.277 3.362 -13.162 1.00 1.00 H +ATOM 495 HD21 LEU A 34 -11.502 6.560 -15.175 1.00 1.00 H +ATOM 496 HD22 LEU A 34 -10.003 6.351 -16.111 1.00 1.00 H +ATOM 497 HD23 LEU A 34 -11.246 5.079 -16.128 1.00 1.00 H +ATOM 498 N VAL A 35 -6.357 6.544 -12.971 1.00 1.00 N +ATOM 499 CA VAL A 35 -5.074 5.916 -13.235 1.00 1.00 C +ATOM 500 C VAL A 35 -5.214 4.399 -13.087 1.00 1.00 C +ATOM 501 O VAL A 35 -5.962 3.922 -12.237 1.00 1.00 O +ATOM 502 CB VAL A 35 -4.001 6.508 -12.320 1.00 1.00 C +ATOM 503 CG1 VAL A 35 -2.662 5.794 -12.509 1.00 1.00 C +ATOM 504 CG2 VAL A 35 -3.857 8.015 -12.549 1.00 1.00 C +ATOM 505 H VAL A 35 -6.404 7.067 -12.120 1.00 1.00 H +ATOM 506 HA VAL A 35 -4.802 6.143 -14.266 1.00 1.00 H +ATOM 507 HB VAL A 35 -4.319 6.356 -11.288 1.00 1.00 H +ATOM 508 HG11 VAL A 35 -2.722 5.132 -13.374 1.00 1.00 H +ATOM 509 HG12 VAL A 35 -1.875 6.532 -12.672 1.00 1.00 H +ATOM 510 HG13 VAL A 35 -2.433 5.209 -11.620 1.00 1.00 H +ATOM 511 HG21 VAL A 35 -3.911 8.227 -13.618 1.00 1.00 H +ATOM 512 HG22 VAL A 35 -4.661 8.540 -12.033 1.00 1.00 H +ATOM 513 HG23 VAL A 35 -2.895 8.351 -12.161 1.00 1.00 H +ATOM 514 N ARG A 36 -4.483 3.684 -13.929 1.00 1.00 N +ATOM 515 CA ARG A 36 -4.517 2.231 -13.902 1.00 1.00 C +ATOM 516 C ARG A 36 -3.123 1.674 -13.605 1.00 1.00 C +ATOM 517 O ARG A 36 -2.178 2.434 -13.391 1.00 1.00 O +ATOM 518 CB ARG A 36 -5.009 1.668 -15.235 1.00 1.00 C +ATOM 519 CG ARG A 36 -5.337 2.793 -16.219 1.00 1.00 C +ATOM 520 CD ARG A 36 -6.118 2.259 -17.422 1.00 1.00 C +ATOM 521 NE ARG A 36 -5.292 2.355 -18.646 1.00 1.00 N +ATOM 522 CZ ARG A 36 -4.579 1.339 -19.152 1.00 1.00 C +ATOM 523 NH1 ARG A 36 -4.589 0.145 -18.542 1.00 1.00 N +ATOM 524 NH2 ARG A 36 -3.857 1.515 -20.267 1.00 1.00 N +ATOM 525 H ARG A 36 -3.876 4.080 -14.619 1.00 1.00 H +ATOM 526 HA ARG A 36 -5.216 1.984 -13.104 1.00 1.00 H +ATOM 527 HB2 ARG A 36 -4.247 1.016 -15.664 1.00 1.00 H +ATOM 528 HB3 ARG A 36 -5.896 1.055 -15.070 1.00 1.00 H +ATOM 529 HG2 ARG A 36 -5.920 3.563 -15.715 1.00 1.00 H +ATOM 530 HG3 ARG A 36 -4.414 3.263 -16.560 1.00 1.00 H +ATOM 531 HD2 ARG A 36 -6.408 1.223 -17.248 1.00 1.00 H +ATOM 532 HD3 ARG A 36 -7.039 2.829 -17.550 1.00 1.00 H +ATOM 533 HE ARG A 36 -5.261 3.232 -19.125 1.00 1.00 H +ATOM 534 HH11 ARG A 36 -5.127 0.011 -17.710 1.00 1.00 H +ATOM 535 HH12 ARG A 36 -4.057 -0.613 -18.921 1.00 1.00 H +ATOM 536 HH21 ARG A 36 -3.850 2.407 -20.721 1.00 1.00 H +ATOM 537 HH22 ARG A 36 -3.326 0.757 -20.644 1.00 1.00 H +ATOM 538 N GLU A 37 -3.038 0.351 -13.600 1.00 1.00 N +ATOM 539 CA GLU A 37 -1.775 -0.317 -13.333 1.00 1.00 C +ATOM 540 C GLU A 37 -1.488 -1.360 -14.414 1.00 1.00 C +ATOM 541 O GLU A 37 -2.359 -2.156 -14.761 1.00 1.00 O +ATOM 542 CB GLU A 37 -1.776 -0.954 -11.941 1.00 1.00 C +ATOM 543 CG GLU A 37 -0.738 -2.072 -11.851 1.00 1.00 C +ATOM 544 CD GLU A 37 -0.030 -2.055 -10.494 1.00 1.00 C +ATOM 545 OE1 GLU A 37 -0.698 -1.667 -9.511 1.00 1.00 O +ATOM 546 OE2 GLU A 37 1.163 -2.429 -10.471 1.00 1.00 O +ATOM 547 H GLU A 37 -3.810 -0.259 -13.775 1.00 1.00 H +ATOM 548 HA GLU A 37 -1.020 0.468 -13.366 1.00 1.00 H +ATOM 549 HB2 GLU A 37 -1.564 -0.194 -11.190 1.00 1.00 H +ATOM 550 HB3 GLU A 37 -2.767 -1.353 -11.721 1.00 1.00 H +ATOM 551 HG2 GLU A 37 -1.223 -3.038 -11.999 1.00 1.00 H +ATOM 552 HG3 GLU A 37 -0.004 -1.960 -12.650 1.00 1.00 H +ATOM 553 N SER A 38 -0.262 -1.322 -14.915 1.00 1.00 N +ATOM 554 CA SER A 38 0.151 -2.256 -15.951 1.00 1.00 C +ATOM 555 C SER A 38 0.133 -3.685 -15.404 1.00 1.00 C +ATOM 556 O SER A 38 -0.194 -3.904 -14.239 1.00 1.00 O +ATOM 557 CB SER A 38 1.544 -1.908 -16.481 1.00 1.00 C +ATOM 558 OG SER A 38 1.534 -0.718 -17.265 1.00 1.00 O +ATOM 559 H SER A 38 0.440 -0.673 -14.628 1.00 1.00 H +ATOM 560 HA SER A 38 -0.581 -2.142 -16.750 1.00 1.00 H +ATOM 561 HB2 SER A 38 2.230 -1.786 -15.645 1.00 1.00 H +ATOM 562 HB3 SER A 38 1.918 -2.736 -17.083 1.00 1.00 H +ATOM 563 HG SER A 38 1.921 0.040 -16.740 1.00 1.00 H +ATOM 564 N GLU A 39 0.489 -4.621 -16.271 1.00 1.00 N +ATOM 565 CA GLU A 39 0.519 -6.022 -15.891 1.00 1.00 C +ATOM 566 C GLU A 39 1.177 -6.187 -14.520 1.00 1.00 C +ATOM 567 O GLU A 39 2.397 -6.305 -14.424 1.00 1.00 O +ATOM 568 CB GLU A 39 1.236 -6.864 -16.949 1.00 1.00 C +ATOM 569 CG GLU A 39 0.421 -6.930 -18.242 1.00 1.00 C +ATOM 570 CD GLU A 39 1.336 -7.083 -19.459 1.00 1.00 C +ATOM 571 OE1 GLU A 39 2.202 -7.982 -19.408 1.00 1.00 O +ATOM 572 OE2 GLU A 39 1.149 -6.297 -20.413 1.00 1.00 O +ATOM 573 H GLU A 39 0.754 -4.435 -17.218 1.00 1.00 H +ATOM 574 HA GLU A 39 -0.527 -6.330 -15.838 1.00 1.00 H +ATOM 575 HB2 GLU A 39 2.218 -6.436 -17.154 1.00 1.00 H +ATOM 576 HB3 GLU A 39 1.402 -7.871 -16.566 1.00 1.00 H +ATOM 577 HG2 GLU A 39 -0.272 -7.769 -18.196 1.00 1.00 H +ATOM 578 HG3 GLU A 39 -0.178 -6.025 -18.345 1.00 1.00 H +ATOM 579 N SER A 40 0.340 -6.189 -13.492 1.00 1.00 N +ATOM 580 CA SER A 40 0.827 -6.337 -12.132 1.00 1.00 C +ATOM 581 C SER A 40 2.303 -5.944 -12.058 1.00 1.00 C +ATOM 582 O SER A 40 3.163 -6.790 -11.817 1.00 1.00 O +ATOM 583 CB SER A 40 0.633 -7.769 -11.630 1.00 1.00 C +ATOM 584 OG SER A 40 1.481 -8.691 -12.307 1.00 1.00 O +ATOM 585 H SER A 40 -0.651 -6.092 -13.579 1.00 1.00 H +ATOM 586 HA SER A 40 0.220 -5.657 -11.533 1.00 1.00 H +ATOM 587 HB2 SER A 40 0.836 -7.808 -10.559 1.00 1.00 H +ATOM 588 HB3 SER A 40 -0.408 -8.063 -11.768 1.00 1.00 H +ATOM 589 HG SER A 40 1.162 -9.626 -12.152 1.00 1.00 H +ATOM 590 N SER A 41 2.554 -4.660 -12.271 1.00 1.00 N +ATOM 591 CA SER A 41 3.911 -4.145 -12.231 1.00 1.00 C +ATOM 592 C SER A 41 3.988 -2.945 -11.285 1.00 1.00 C +ATOM 593 O SER A 41 3.492 -1.864 -11.605 1.00 1.00 O +ATOM 594 CB SER A 41 4.391 -3.751 -13.630 1.00 1.00 C +ATOM 595 OG SER A 41 3.433 -2.953 -14.318 1.00 1.00 O +ATOM 596 H SER A 41 1.847 -3.979 -12.466 1.00 1.00 H +ATOM 597 HA SER A 41 4.520 -4.967 -11.857 1.00 1.00 H +ATOM 598 HB2 SER A 41 5.330 -3.202 -13.549 1.00 1.00 H +ATOM 599 HB3 SER A 41 4.597 -4.651 -14.209 1.00 1.00 H +ATOM 600 HG SER A 41 3.227 -2.131 -13.787 1.00 1.00 H +ATOM 601 N PRO A 42 4.630 -3.179 -10.110 1.00 1.00 N +ATOM 602 CA PRO A 42 4.779 -2.130 -9.116 1.00 1.00 C +ATOM 603 C PRO A 42 5.848 -1.122 -9.538 1.00 1.00 C +ATOM 604 O PRO A 42 6.777 -0.844 -8.781 1.00 1.00 O +ATOM 605 CB PRO A 42 5.124 -2.857 -7.825 1.00 1.00 C +ATOM 606 CG PRO A 42 5.611 -4.236 -8.242 1.00 1.00 C +ATOM 607 CD PRO A 42 5.229 -4.445 -9.698 1.00 1.00 C +ATOM 608 HA PRO A 42 3.929 -1.609 -9.032 1.00 1.00 H +ATOM 609 HB2 PRO A 42 5.893 -2.321 -7.270 1.00 1.00 H +ATOM 610 HB3 PRO A 42 4.253 -2.930 -7.174 1.00 1.00 H +ATOM 611 HG2 PRO A 42 6.690 -4.313 -8.114 1.00 1.00 H +ATOM 612 HG3 PRO A 42 5.160 -5.004 -7.614 1.00 1.00 H +ATOM 613 HD2 PRO A 42 6.102 -4.687 -10.305 1.00 1.00 H +ATOM 614 HD3 PRO A 42 4.526 -5.271 -9.808 1.00 1.00 H +ATOM 615 N GLY A 43 5.683 -0.602 -10.746 1.00 1.00 N +ATOM 616 CA GLY A 43 6.623 0.369 -11.279 1.00 1.00 C +ATOM 617 C GLY A 43 6.037 1.091 -12.493 1.00 1.00 C +ATOM 618 O GLY A 43 6.169 2.308 -12.619 1.00 1.00 O +ATOM 619 H GLY A 43 4.925 -0.835 -11.355 1.00 1.00 H +ATOM 620 HA2 GLY A 43 6.877 1.096 -10.506 1.00 1.00 H +ATOM 621 HA3 GLY A 43 7.549 -0.132 -11.560 1.00 1.00 H +ATOM 622 N GLN A 44 5.402 0.311 -13.356 1.00 1.00 N +ATOM 623 CA GLN A 44 4.795 0.861 -14.556 1.00 1.00 C +ATOM 624 C GLN A 44 3.272 0.901 -14.410 1.00 1.00 C +ATOM 625 O GLN A 44 2.647 -0.114 -14.107 1.00 1.00 O +ATOM 626 CB GLN A 44 5.207 0.063 -15.793 1.00 1.00 C +ATOM 627 CG GLN A 44 5.951 -1.214 -15.400 1.00 1.00 C +ATOM 628 CD GLN A 44 6.728 -1.786 -16.589 1.00 1.00 C +ATOM 629 OE1 GLN A 44 6.589 -2.942 -16.955 1.00 1.00 O +ATOM 630 NE2 GLN A 44 7.548 -0.914 -17.167 1.00 1.00 N +ATOM 631 H GLN A 44 5.299 -0.677 -13.245 1.00 1.00 H +ATOM 632 HA GLN A 44 5.185 1.876 -14.639 1.00 1.00 H +ATOM 633 HB2 GLN A 44 4.322 -0.193 -16.377 1.00 1.00 H +ATOM 634 HB3 GLN A 44 5.842 0.676 -16.432 1.00 1.00 H +ATOM 635 HG2 GLN A 44 6.638 -1.002 -14.581 1.00 1.00 H +ATOM 636 HG3 GLN A 44 5.241 -1.956 -15.034 1.00 1.00 H +ATOM 637 HE21 GLN A 44 7.613 0.020 -16.818 1.00 1.00 H +ATOM 638 HE22 GLN A 44 8.100 -1.192 -17.954 1.00 1.00 H +ATOM 639 N ARG A 45 2.719 2.084 -14.632 1.00 1.00 N +ATOM 640 CA ARG A 45 1.281 2.269 -14.530 1.00 1.00 C +ATOM 641 C ARG A 45 0.736 2.907 -15.809 1.00 1.00 C +ATOM 642 O ARG A 45 1.498 3.427 -16.621 1.00 1.00 O +ATOM 643 CB ARG A 45 0.924 3.155 -13.333 1.00 1.00 C +ATOM 644 CG ARG A 45 1.701 2.730 -12.086 1.00 1.00 C +ATOM 645 CD ARG A 45 1.355 1.294 -11.687 1.00 1.00 C +ATOM 646 NE ARG A 45 0.675 1.283 -10.373 1.00 1.00 N +ATOM 647 CZ ARG A 45 1.312 1.192 -9.198 1.00 1.00 C +ATOM 648 NH1 ARG A 45 2.649 1.103 -9.166 1.00 1.00 N +ATOM 649 NH2 ARG A 45 0.613 1.190 -8.055 1.00 1.00 N +ATOM 650 H ARG A 45 3.234 2.906 -14.879 1.00 1.00 H +ATOM 651 HA ARG A 45 0.881 1.265 -14.390 1.00 1.00 H +ATOM 652 HB2 ARG A 45 1.147 4.195 -13.568 1.00 1.00 H +ATOM 653 HB3 ARG A 45 -0.146 3.094 -13.139 1.00 1.00 H +ATOM 654 HG2 ARG A 45 2.772 2.811 -12.274 1.00 1.00 H +ATOM 655 HG3 ARG A 45 1.469 3.405 -11.262 1.00 1.00 H +ATOM 656 HD2 ARG A 45 0.711 0.843 -12.442 1.00 1.00 H +ATOM 657 HD3 ARG A 45 2.262 0.692 -11.641 1.00 1.00 H +ATOM 658 HE ARG A 45 -0.323 1.349 -10.362 1.00 1.00 H +ATOM 659 HH11 ARG A 45 3.171 1.105 -10.019 1.00 1.00 H +ATOM 660 HH12 ARG A 45 3.124 1.035 -8.290 1.00 1.00 H +ATOM 661 HH21 ARG A 45 -0.384 1.256 -8.078 1.00 1.00 H +ATOM 662 HH22 ARG A 45 1.088 1.122 -7.178 1.00 1.00 H +ATOM 663 N SER A 46 -0.580 2.844 -15.947 1.00 1.00 N +ATOM 664 CA SER A 46 -1.237 3.410 -17.115 1.00 1.00 C +ATOM 665 C SER A 46 -2.149 4.564 -16.695 1.00 1.00 C +ATOM 666 O SER A 46 -2.345 4.802 -15.504 1.00 1.00 O +ATOM 667 CB SER A 46 -2.040 2.343 -17.864 1.00 1.00 C +ATOM 668 OG SER A 46 -1.842 1.044 -17.318 1.00 1.00 O +ATOM 669 H SER A 46 -1.193 2.418 -15.283 1.00 1.00 H +ATOM 670 HA SER A 46 -0.430 3.772 -17.752 1.00 1.00 H +ATOM 671 HB2 SER A 46 -3.099 2.595 -17.827 1.00 1.00 H +ATOM 672 HB3 SER A 46 -1.749 2.345 -18.915 1.00 1.00 H +ATOM 673 HG SER A 46 -2.577 0.827 -16.675 1.00 1.00 H +ATOM 674 N ILE A 47 -2.684 5.248 -17.695 1.00 1.00 N +ATOM 675 CA ILE A 47 -3.570 6.372 -17.444 1.00 1.00 C +ATOM 676 C ILE A 47 -4.780 6.279 -18.375 1.00 1.00 C +ATOM 677 O ILE A 47 -4.627 6.072 -19.579 1.00 1.00 O +ATOM 678 CB ILE A 47 -2.807 7.693 -17.557 1.00 1.00 C +ATOM 679 CG1 ILE A 47 -2.939 8.514 -16.272 1.00 1.00 C +ATOM 680 CG2 ILE A 47 -3.253 8.481 -18.788 1.00 1.00 C +ATOM 681 CD1 ILE A 47 -1.596 8.620 -15.549 1.00 1.00 C +ATOM 682 H ILE A 47 -2.520 5.048 -18.660 1.00 1.00 H +ATOM 683 HA ILE A 47 -3.920 6.289 -16.414 1.00 1.00 H +ATOM 684 HB ILE A 47 -1.749 7.466 -17.686 1.00 1.00 H +ATOM 685 HG12 ILE A 47 -3.308 9.511 -16.510 1.00 1.00 H +ATOM 686 HG13 ILE A 47 -3.675 8.050 -15.614 1.00 1.00 H +ATOM 687 HG21 ILE A 47 -3.411 7.795 -19.621 1.00 1.00 H +ATOM 688 HG22 ILE A 47 -4.184 9.003 -18.568 1.00 1.00 H +ATOM 689 HG23 ILE A 47 -2.485 9.205 -19.055 1.00 1.00 H +ATOM 690 HD11 ILE A 47 -1.210 7.621 -15.349 1.00 1.00 H +ATOM 691 HD12 ILE A 47 -0.887 9.163 -16.175 1.00 1.00 H +ATOM 692 HD13 ILE A 47 -1.731 9.152 -14.607 1.00 1.00 H +ATOM 693 N SER A 48 -5.955 6.437 -17.786 1.00 1.00 N +ATOM 694 CA SER A 48 -7.190 6.373 -18.548 1.00 1.00 C +ATOM 695 C SER A 48 -8.080 7.569 -18.202 1.00 1.00 C +ATOM 696 O SER A 48 -8.434 7.769 -17.041 1.00 1.00 O +ATOM 697 CB SER A 48 -7.935 5.064 -18.283 1.00 1.00 C +ATOM 698 OG SER A 48 -7.861 4.675 -16.914 1.00 1.00 O +ATOM 699 H SER A 48 -6.071 6.605 -16.806 1.00 1.00 H +ATOM 700 HA SER A 48 -6.887 6.412 -19.593 1.00 1.00 H +ATOM 701 HB2 SER A 48 -8.980 5.176 -18.571 1.00 1.00 H +ATOM 702 HB3 SER A 48 -7.514 4.275 -18.907 1.00 1.00 H +ATOM 703 HG SER A 48 -8.675 4.988 -16.425 1.00 1.00 H +ATOM 704 N LEU A 49 -8.417 8.333 -19.231 1.00 1.00 N +ATOM 705 CA LEU A 49 -9.260 9.503 -19.051 1.00 1.00 C +ATOM 706 C LEU A 49 -10.661 9.205 -19.588 1.00 1.00 C +ATOM 707 O LEU A 49 -10.826 8.361 -20.467 1.00 1.00 O +ATOM 708 CB LEU A 49 -8.608 10.734 -19.683 1.00 1.00 C +ATOM 709 CG LEU A 49 -8.174 10.588 -21.143 1.00 1.00 C +ATOM 710 CD1 LEU A 49 -6.825 9.873 -21.245 1.00 1.00 C +ATOM 711 CD2 LEU A 49 -9.256 9.890 -21.970 1.00 1.00 C +ATOM 712 H LEU A 49 -8.126 8.163 -20.173 1.00 1.00 H +ATOM 713 HA LEU A 49 -9.332 9.691 -17.980 1.00 1.00 H +ATOM 714 HB2 LEU A 49 -9.308 11.566 -19.616 1.00 1.00 H +ATOM 715 HB3 LEU A 49 -7.735 11.004 -19.091 1.00 1.00 H +ATOM 716 HG LEU A 49 -8.040 11.586 -21.563 1.00 1.00 H +ATOM 717 HD11 LEU A 49 -6.303 9.945 -20.291 1.00 1.00 H +ATOM 718 HD12 LEU A 49 -6.988 8.823 -21.490 1.00 1.00 H +ATOM 719 HD13 LEU A 49 -6.224 10.339 -22.025 1.00 1.00 H +ATOM 720 HD21 LEU A 49 -10.236 10.256 -21.666 1.00 1.00 H +ATOM 721 HD22 LEU A 49 -9.099 10.105 -23.028 1.00 1.00 H +ATOM 722 HD23 LEU A 49 -9.201 8.815 -21.806 1.00 1.00 H +ATOM 723 N ARG A 50 -11.634 9.914 -19.035 1.00 1.00 N +ATOM 724 CA ARG A 50 -13.016 9.736 -19.446 1.00 1.00 C +ATOM 725 C ARG A 50 -13.565 11.035 -20.040 1.00 1.00 C +ATOM 726 O ARG A 50 -13.388 12.107 -19.464 1.00 1.00 O +ATOM 727 CB ARG A 50 -13.893 9.312 -18.266 1.00 1.00 C +ATOM 728 CG ARG A 50 -15.114 8.526 -18.744 1.00 1.00 C +ATOM 729 CD ARG A 50 -16.349 8.865 -17.905 1.00 1.00 C +ATOM 730 NE ARG A 50 -16.015 8.791 -16.464 1.00 1.00 N +ATOM 731 CZ ARG A 50 -15.747 7.653 -15.812 1.00 1.00 C +ATOM 732 NH1 ARG A 50 -15.772 6.483 -16.467 1.00 1.00 N +ATOM 733 NH2 ARG A 50 -15.456 7.681 -14.505 1.00 1.00 N +ATOM 734 H ARG A 50 -11.492 10.598 -18.319 1.00 1.00 H +ATOM 735 HA ARG A 50 -12.985 8.945 -20.196 1.00 1.00 H +ATOM 736 HB2 ARG A 50 -13.310 8.702 -17.576 1.00 1.00 H +ATOM 737 HB3 ARG A 50 -14.217 10.195 -17.714 1.00 1.00 H +ATOM 738 HG2 ARG A 50 -15.310 8.753 -19.792 1.00 1.00 H +ATOM 739 HG3 ARG A 50 -14.911 7.457 -18.683 1.00 1.00 H +ATOM 740 HD2 ARG A 50 -16.704 9.863 -18.154 1.00 1.00 H +ATOM 741 HD3 ARG A 50 -17.158 8.171 -18.135 1.00 1.00 H +ATOM 742 HE ARG A 50 -15.989 9.645 -15.945 1.00 1.00 H +ATOM 743 HH11 ARG A 50 -15.991 6.461 -17.442 1.00 1.00 H +ATOM 744 HH12 ARG A 50 -15.573 5.633 -15.980 1.00 1.00 H +ATOM 745 HH21 ARG A 50 -15.437 8.553 -14.015 1.00 1.00 H +ATOM 746 HH22 ARG A 50 -15.257 6.830 -14.018 1.00 1.00 H +ATOM 747 N TYR A 51 -14.219 10.896 -21.184 1.00 1.00 N +ATOM 748 CA TYR A 51 -14.795 12.045 -21.861 1.00 1.00 C +ATOM 749 C TYR A 51 -16.292 11.846 -22.104 1.00 1.00 C +ATOM 750 O TYR A 51 -16.948 11.098 -21.379 1.00 1.00 O +ATOM 751 CB TYR A 51 -14.079 12.141 -23.210 1.00 1.00 C +ATOM 752 CG TYR A 51 -13.533 13.534 -23.527 1.00 1.00 C +ATOM 753 CD1 TYR A 51 -14.246 14.656 -23.159 1.00 1.00 C +ATOM 754 CD2 TYR A 51 -12.325 13.669 -24.183 1.00 1.00 C +ATOM 755 CE1 TYR A 51 -13.732 15.968 -23.456 1.00 1.00 C +ATOM 756 CE2 TYR A 51 -11.810 14.980 -24.481 1.00 1.00 C +ATOM 757 CZ TYR A 51 -12.540 16.064 -24.104 1.00 1.00 C +ATOM 758 OH TYR A 51 -12.052 17.303 -24.385 1.00 1.00 O +ATOM 759 H TYR A 51 -14.358 10.020 -21.645 1.00 1.00 H +ATOM 760 HA TYR A 51 -14.651 12.918 -21.224 1.00 1.00 H +ATOM 761 HB2 TYR A 51 -13.257 11.426 -23.225 1.00 1.00 H +ATOM 762 HB3 TYR A 51 -14.772 11.846 -23.999 1.00 1.00 H +ATOM 763 HD1 TYR A 51 -15.200 14.550 -22.641 1.00 1.00 H +ATOM 764 HD2 TYR A 51 -11.762 12.782 -24.474 1.00 1.00 H +ATOM 765 HE1 TYR A 51 -14.285 16.861 -23.171 1.00 1.00 H +ATOM 766 HE2 TYR A 51 -10.859 15.101 -24.998 1.00 1.00 H +ATOM 767 HH TYR A 51 -11.164 17.227 -24.835 1.00 1.00 H +ATOM 768 N GLU A 52 -16.790 12.527 -23.125 1.00 1.00 N +ATOM 769 CA GLU A 52 -18.197 12.433 -23.473 1.00 1.00 C +ATOM 770 C GLU A 52 -18.508 11.058 -24.065 1.00 1.00 C +ATOM 771 O GLU A 52 -18.704 10.928 -25.273 1.00 1.00 O +ATOM 772 CB GLU A 52 -18.599 13.551 -24.439 1.00 1.00 C +ATOM 773 CG GLU A 52 -19.737 14.393 -23.860 1.00 1.00 C +ATOM 774 CD GLU A 52 -21.094 13.743 -24.131 1.00 1.00 C +ATOM 775 OE1 GLU A 52 -21.218 13.113 -25.202 1.00 1.00 O +ATOM 776 OE2 GLU A 52 -21.978 13.890 -23.259 1.00 1.00 O +ATOM 777 H GLU A 52 -16.249 13.134 -23.709 1.00 1.00 H +ATOM 778 HA GLU A 52 -18.735 12.563 -22.533 1.00 1.00 H +ATOM 779 HB2 GLU A 52 -17.738 14.186 -24.642 1.00 1.00 H +ATOM 780 HB3 GLU A 52 -18.909 13.119 -25.390 1.00 1.00 H +ATOM 781 HG2 GLU A 52 -19.595 14.515 -22.785 1.00 1.00 H +ATOM 782 HG3 GLU A 52 -19.714 15.392 -24.297 1.00 1.00 H +ATOM 783 N GLY A 53 -18.543 10.065 -23.188 1.00 1.00 N +ATOM 784 CA GLY A 53 -18.827 8.704 -23.609 1.00 1.00 C +ATOM 785 C GLY A 53 -17.627 8.094 -24.337 1.00 1.00 C +ATOM 786 O GLY A 53 -17.788 7.202 -25.167 1.00 1.00 O +ATOM 787 H GLY A 53 -18.383 10.179 -22.208 1.00 1.00 H +ATOM 788 HA2 GLY A 53 -19.079 8.096 -22.740 1.00 1.00 H +ATOM 789 HA3 GLY A 53 -19.697 8.697 -24.267 1.00 1.00 H +ATOM 790 N ARG A 54 -16.451 8.601 -23.998 1.00 1.00 N +ATOM 791 CA ARG A 54 -15.223 8.117 -24.607 1.00 1.00 C +ATOM 792 C ARG A 54 -14.149 7.898 -23.540 1.00 1.00 C +ATOM 793 O ARG A 54 -14.091 8.632 -22.554 1.00 1.00 O +ATOM 794 CB ARG A 54 -14.700 9.105 -25.652 1.00 1.00 C +ATOM 795 CG ARG A 54 -13.872 8.388 -26.719 1.00 1.00 C +ATOM 796 CD ARG A 54 -14.639 8.302 -28.042 1.00 1.00 C +ATOM 797 NE ARG A 54 -14.042 7.257 -28.905 1.00 1.00 N +ATOM 798 CZ ARG A 54 -14.059 5.948 -28.621 1.00 1.00 C +ATOM 799 NH1 ARG A 54 -14.641 5.514 -27.494 1.00 1.00 N +ATOM 800 NH2 ARG A 54 -13.494 5.073 -29.462 1.00 1.00 N +ATOM 801 H ARG A 54 -16.328 9.327 -23.320 1.00 1.00 H +ATOM 802 HA ARG A 54 -15.502 7.176 -25.083 1.00 1.00 H +ATOM 803 HB2 ARG A 54 -15.538 9.621 -26.121 1.00 1.00 H +ATOM 804 HB3 ARG A 54 -14.091 9.866 -25.165 1.00 1.00 H +ATOM 805 HG2 ARG A 54 -12.932 8.918 -26.874 1.00 1.00 H +ATOM 806 HG3 ARG A 54 -13.620 7.384 -26.376 1.00 1.00 H +ATOM 807 HD2 ARG A 54 -15.686 8.072 -27.849 1.00 1.00 H +ATOM 808 HD3 ARG A 54 -14.612 9.265 -28.550 1.00 1.00 H +ATOM 809 HE ARG A 54 -13.599 7.548 -29.753 1.00 1.00 H +ATOM 810 HH11 ARG A 54 -15.062 6.168 -26.865 1.00 1.00 H +ATOM 811 HH12 ARG A 54 -14.652 4.537 -27.282 1.00 1.00 H +ATOM 812 HH21 ARG A 54 -13.059 5.397 -30.304 1.00 1.00 H +ATOM 813 HH22 ARG A 54 -13.505 4.095 -29.250 1.00 1.00 H +ATOM 814 N VAL A 55 -13.327 6.886 -23.772 1.00 1.00 N +ATOM 815 CA VAL A 55 -12.258 6.562 -22.842 1.00 1.00 C +ATOM 816 C VAL A 55 -10.972 6.291 -23.624 1.00 1.00 C +ATOM 817 O VAL A 55 -11.018 5.800 -24.751 1.00 1.00 O +ATOM 818 CB VAL A 55 -12.676 5.387 -21.953 1.00 1.00 C +ATOM 819 CG1 VAL A 55 -13.055 4.170 -22.798 1.00 1.00 C +ATOM 820 CG2 VAL A 55 -11.574 5.039 -20.950 1.00 1.00 C +ATOM 821 H VAL A 55 -13.380 6.295 -24.576 1.00 1.00 H +ATOM 822 HA VAL A 55 -12.105 7.431 -22.202 1.00 1.00 H +ATOM 823 HB VAL A 55 -13.558 5.692 -21.389 1.00 1.00 H +ATOM 824 HG11 VAL A 55 -13.376 4.498 -23.786 1.00 1.00 H +ATOM 825 HG12 VAL A 55 -12.191 3.512 -22.896 1.00 1.00 H +ATOM 826 HG13 VAL A 55 -13.868 3.630 -22.312 1.00 1.00 H +ATOM 827 HG21 VAL A 55 -10.600 5.160 -21.426 1.00 1.00 H +ATOM 828 HG22 VAL A 55 -11.643 5.703 -20.090 1.00 1.00 H +ATOM 829 HG23 VAL A 55 -11.694 4.007 -20.625 1.00 1.00 H +ATOM 830 N TYR A 56 -9.853 6.622 -22.996 1.00 1.00 N +ATOM 831 CA TYR A 56 -8.556 6.421 -23.617 1.00 1.00 C +ATOM 832 C TYR A 56 -7.558 5.823 -22.625 1.00 1.00 C +ATOM 833 O TYR A 56 -7.399 6.332 -21.516 1.00 1.00 O +ATOM 834 CB TYR A 56 -8.070 7.809 -24.038 1.00 1.00 C +ATOM 835 CG TYR A 56 -9.019 8.539 -24.992 1.00 1.00 C +ATOM 836 CD1 TYR A 56 -10.269 8.931 -24.556 1.00 1.00 C +ATOM 837 CD2 TYR A 56 -8.625 8.804 -26.288 1.00 1.00 C +ATOM 838 CE1 TYR A 56 -11.160 9.618 -25.455 1.00 1.00 C +ATOM 839 CE2 TYR A 56 -9.518 9.489 -27.186 1.00 1.00 C +ATOM 840 CZ TYR A 56 -10.741 9.863 -26.724 1.00 1.00 C +ATOM 841 OH TYR A 56 -11.584 10.511 -27.572 1.00 1.00 O +ATOM 842 H TYR A 56 -9.825 7.021 -22.078 1.00 1.00 H +ATOM 843 HA TYR A 56 -8.687 5.731 -24.451 1.00 1.00 H +ATOM 844 HB2 TYR A 56 -7.930 8.419 -23.146 1.00 1.00 H +ATOM 845 HB3 TYR A 56 -7.095 7.712 -24.514 1.00 1.00 H +ATOM 846 HD1 TYR A 56 -10.579 8.723 -23.533 1.00 1.00 H +ATOM 847 HD2 TYR A 56 -7.638 8.493 -26.632 1.00 1.00 H +ATOM 848 HE1 TYR A 56 -12.150 9.934 -25.123 1.00 1.00 H +ATOM 849 HE2 TYR A 56 -9.219 9.705 -28.212 1.00 1.00 H +ATOM 850 HH TYR A 56 -11.180 11.379 -27.860 1.00 1.00 H +ATOM 851 N HIS A 57 -6.910 4.751 -23.058 1.00 1.00 N +ATOM 852 CA HIS A 57 -5.932 4.079 -22.222 1.00 1.00 C +ATOM 853 C HIS A 57 -4.530 4.293 -22.798 1.00 1.00 C +ATOM 854 O HIS A 57 -4.194 3.738 -23.842 1.00 1.00 O +ATOM 855 CB HIS A 57 -6.285 2.599 -22.054 1.00 1.00 C +ATOM 856 CG HIS A 57 -7.767 2.314 -22.097 1.00 1.00 C +ATOM 857 ND1 HIS A 57 -8.529 2.134 -20.956 1.00 1.00 N +ATOM 858 CD2 HIS A 57 -8.619 2.180 -23.154 1.00 1.00 C +ATOM 859 CE1 HIS A 57 -9.781 1.901 -21.320 1.00 1.00 C +ATOM 860 NE2 HIS A 57 -9.834 1.930 -22.683 1.00 1.00 N +ATOM 861 H HIS A 57 -7.045 4.345 -23.962 1.00 1.00 H +ATOM 862 HA HIS A 57 -5.985 4.547 -21.239 1.00 1.00 H +ATOM 863 HB2 HIS A 57 -5.792 2.028 -22.840 1.00 1.00 H +ATOM 864 HB3 HIS A 57 -5.884 2.247 -21.104 1.00 1.00 H +ATOM 865 HD1 HIS A 57 -8.192 2.172 -20.016 1.00 1.00 H +ATOM 866 HD2 HIS A 57 -8.347 2.264 -24.206 1.00 1.00 H +ATOM 867 HE1 HIS A 57 -10.621 1.719 -20.651 1.00 1.00 H +ATOM 868 N TYR A 58 -3.752 5.098 -22.090 1.00 1.00 N +ATOM 869 CA TYR A 58 -2.395 5.392 -22.519 1.00 1.00 C +ATOM 870 C TYR A 58 -1.388 5.073 -21.410 1.00 1.00 C +ATOM 871 O TYR A 58 -1.280 5.815 -20.435 1.00 1.00 O +ATOM 872 CB TYR A 58 -2.358 6.893 -22.807 1.00 1.00 C +ATOM 873 CG TYR A 58 -2.093 7.238 -24.274 1.00 1.00 C +ATOM 874 CD1 TYR A 58 -2.893 6.705 -25.266 1.00 1.00 C +ATOM 875 CD2 TYR A 58 -1.053 8.083 -24.607 1.00 1.00 C +ATOM 876 CE1 TYR A 58 -2.643 7.031 -26.646 1.00 1.00 C +ATOM 877 CE2 TYR A 58 -0.803 8.408 -25.988 1.00 1.00 C +ATOM 878 CZ TYR A 58 -1.610 7.866 -26.939 1.00 1.00 C +ATOM 879 OH TYR A 58 -1.373 8.173 -28.243 1.00 1.00 O +ATOM 880 H TYR A 58 -4.032 5.545 -21.242 1.00 1.00 H +ATOM 881 HA TYR A 58 -2.174 4.771 -23.388 1.00 1.00 H +ATOM 882 HB2 TYR A 58 -3.310 7.333 -22.509 1.00 1.00 H +ATOM 883 HB3 TYR A 58 -1.587 7.354 -22.191 1.00 1.00 H +ATOM 884 HD1 TYR A 58 -3.714 6.039 -25.002 1.00 1.00 H +ATOM 885 HD2 TYR A 58 -0.422 8.505 -23.825 1.00 1.00 H +ATOM 886 HE1 TYR A 58 -3.267 6.617 -27.438 1.00 1.00 H +ATOM 887 HE2 TYR A 58 0.015 9.074 -26.264 1.00 1.00 H +ATOM 888 HH TYR A 58 -1.929 7.591 -28.837 1.00 1.00 H +ATOM 889 N ARG A 59 -0.678 3.972 -21.598 1.00 1.00 N +ATOM 890 CA ARG A 59 0.315 3.546 -20.625 1.00 1.00 C +ATOM 891 C ARG A 59 1.396 4.617 -20.469 1.00 1.00 C +ATOM 892 O ARG A 59 1.831 5.215 -21.453 1.00 1.00 O +ATOM 893 CB ARG A 59 0.968 2.229 -21.047 1.00 1.00 C +ATOM 894 CG ARG A 59 1.531 2.324 -22.466 1.00 1.00 C +ATOM 895 CD ARG A 59 2.758 1.426 -22.631 1.00 1.00 C +ATOM 896 NE ARG A 59 3.912 2.006 -21.911 1.00 1.00 N +ATOM 897 CZ ARG A 59 5.191 1.687 -22.159 1.00 1.00 C +ATOM 898 NH1 ARG A 59 5.484 0.789 -23.108 1.00 1.00 N +ATOM 899 NH2 ARG A 59 6.174 2.265 -21.455 1.00 1.00 N +ATOM 900 H ARG A 59 -0.773 3.375 -22.395 1.00 1.00 H +ATOM 901 HA ARG A 59 -0.243 3.413 -19.699 1.00 1.00 H +ATOM 902 HB2 ARG A 59 1.769 1.978 -20.350 1.00 1.00 H +ATOM 903 HB3 ARG A 59 0.236 1.423 -20.996 1.00 1.00 H +ATOM 904 HG2 ARG A 59 0.765 2.036 -23.185 1.00 1.00 H +ATOM 905 HG3 ARG A 59 1.801 3.358 -22.685 1.00 1.00 H +ATOM 906 HD2 ARG A 59 2.543 0.428 -22.246 1.00 1.00 H +ATOM 907 HD3 ARG A 59 2.997 1.313 -23.689 1.00 1.00 H +ATOM 908 HE ARG A 59 3.729 2.680 -21.195 1.00 1.00 H +ATOM 909 HH11 ARG A 59 4.751 0.357 -23.633 1.00 1.00 H +ATOM 910 HH12 ARG A 59 6.439 0.550 -23.294 1.00 1.00 H +ATOM 911 HH21 ARG A 59 5.954 2.935 -20.747 1.00 1.00 H +ATOM 912 HH22 ARG A 59 7.127 2.027 -21.639 1.00 1.00 H +ATOM 913 N ILE A 60 1.801 4.827 -19.225 1.00 1.00 N +ATOM 914 CA ILE A 60 2.823 5.815 -18.927 1.00 1.00 C +ATOM 915 C ILE A 60 4.169 5.330 -19.469 1.00 1.00 C +ATOM 916 O ILE A 60 4.483 4.144 -19.386 1.00 1.00 O +ATOM 917 CB ILE A 60 2.841 6.134 -17.431 1.00 1.00 C +ATOM 918 CG1 ILE A 60 1.436 6.470 -16.925 1.00 1.00 C +ATOM 919 CG2 ILE A 60 3.844 7.247 -17.118 1.00 1.00 C +ATOM 920 CD1 ILE A 60 1.406 6.538 -15.397 1.00 1.00 C +ATOM 921 H ILE A 60 1.443 4.337 -18.431 1.00 1.00 H +ATOM 922 HA ILE A 60 2.552 6.733 -19.448 1.00 1.00 H +ATOM 923 HB ILE A 60 3.171 5.244 -16.896 1.00 1.00 H +ATOM 924 HG12 ILE A 60 1.115 7.424 -17.341 1.00 1.00 H +ATOM 925 HG13 ILE A 60 0.731 5.716 -17.273 1.00 1.00 H +ATOM 926 HG21 ILE A 60 4.683 7.183 -17.809 1.00 1.00 H +ATOM 927 HG22 ILE A 60 3.357 8.215 -17.226 1.00 1.00 H +ATOM 928 HG23 ILE A 60 4.206 7.133 -16.096 1.00 1.00 H +ATOM 929 HD11 ILE A 60 2.422 6.453 -15.009 1.00 1.00 H +ATOM 930 HD12 ILE A 60 0.976 7.489 -15.084 1.00 1.00 H +ATOM 931 HD13 ILE A 60 0.800 5.719 -15.009 1.00 1.00 H +ATOM 932 N ASN A 61 4.927 6.272 -20.011 1.00 1.00 N +ATOM 933 CA ASN A 61 6.232 5.954 -20.566 1.00 1.00 C +ATOM 934 C ASN A 61 7.319 6.380 -19.578 1.00 1.00 C +ATOM 935 O ASN A 61 7.173 7.386 -18.884 1.00 1.00 O +ATOM 936 CB ASN A 61 6.469 6.701 -21.880 1.00 1.00 C +ATOM 937 CG ASN A 61 5.165 6.855 -22.665 1.00 1.00 C +ATOM 938 OD1 ASN A 61 4.644 5.915 -23.244 1.00 1.00 O +ATOM 939 ND2 ASN A 61 4.668 8.089 -22.655 1.00 1.00 N +ATOM 940 H ASN A 61 4.663 7.233 -20.074 1.00 1.00 H +ATOM 941 HA ASN A 61 6.219 4.877 -20.732 1.00 1.00 H +ATOM 942 HB2 ASN A 61 6.890 7.684 -21.672 1.00 1.00 H +ATOM 943 HB3 ASN A 61 7.199 6.162 -22.483 1.00 1.00 H +ATOM 944 HD21 ASN A 61 5.146 8.815 -22.160 1.00 1.00 H +ATOM 945 HD22 ASN A 61 3.817 8.289 -23.140 1.00 1.00 H +ATOM 946 N THR A 62 8.385 5.595 -19.543 1.00 1.00 N +ATOM 947 CA THR A 62 9.496 5.876 -18.652 1.00 1.00 C +ATOM 948 C THR A 62 10.730 6.301 -19.453 1.00 1.00 C +ATOM 949 O THR A 62 11.077 5.665 -20.447 1.00 1.00 O +ATOM 950 CB THR A 62 9.732 4.641 -17.782 1.00 1.00 C +ATOM 951 OG1 THR A 62 8.493 4.452 -17.105 1.00 1.00 O +ATOM 952 CG2 THR A 62 10.737 4.898 -16.657 1.00 1.00 C +ATOM 953 H THR A 62 8.496 4.777 -20.111 1.00 1.00 H +ATOM 954 HA THR A 62 9.222 6.721 -18.018 1.00 1.00 H +ATOM 955 HB THR A 62 10.039 3.790 -18.391 1.00 1.00 H +ATOM 956 HG1 THR A 62 7.776 4.221 -17.762 1.00 1.00 H +ATOM 957 HG21 THR A 62 11.477 5.626 -16.991 1.00 1.00 H +ATOM 958 HG22 THR A 62 10.212 5.288 -15.785 1.00 1.00 H +ATOM 959 HG23 THR A 62 11.236 3.966 -16.396 1.00 1.00 H +ATOM 960 N ALA A 63 11.357 7.371 -18.990 1.00 1.00 N +ATOM 961 CA ALA A 63 12.544 7.887 -19.652 1.00 1.00 C +ATOM 962 C ALA A 63 13.699 6.903 -19.458 1.00 1.00 C +ATOM 963 O ALA A 63 13.591 5.962 -18.674 1.00 1.00 O +ATOM 964 CB ALA A 63 12.866 9.282 -19.107 1.00 1.00 C +ATOM 965 H ALA A 63 11.069 7.884 -18.181 1.00 1.00 H +ATOM 966 HA ALA A 63 12.322 7.969 -20.716 1.00 1.00 H +ATOM 967 HB1 ALA A 63 11.939 9.803 -18.874 1.00 1.00 H +ATOM 968 HB2 ALA A 63 13.469 9.188 -18.205 1.00 1.00 H +ATOM 969 HB3 ALA A 63 13.422 9.845 -19.858 1.00 1.00 H +ATOM 970 N SER A 64 14.778 7.156 -20.184 1.00 1.00 N +ATOM 971 CA SER A 64 15.952 6.304 -20.101 1.00 1.00 C +ATOM 972 C SER A 64 16.508 6.316 -18.677 1.00 1.00 C +ATOM 973 O SER A 64 17.111 5.341 -18.233 1.00 1.00 O +ATOM 974 CB SER A 64 17.027 6.750 -21.094 1.00 1.00 C +ATOM 975 OG SER A 64 17.379 8.118 -20.921 1.00 1.00 O +ATOM 976 H SER A 64 14.856 7.925 -20.819 1.00 1.00 H +ATOM 977 HA SER A 64 15.604 5.306 -20.368 1.00 1.00 H +ATOM 978 HB2 SER A 64 17.914 6.129 -20.972 1.00 1.00 H +ATOM 979 HB3 SER A 64 16.667 6.594 -22.112 1.00 1.00 H +ATOM 980 HG SER A 64 18.374 8.215 -20.887 1.00 1.00 H +ATOM 981 N ASP A 65 16.286 7.433 -17.998 1.00 1.00 N +ATOM 982 CA ASP A 65 16.758 7.585 -16.633 1.00 1.00 C +ATOM 983 C ASP A 65 15.931 6.688 -15.709 1.00 1.00 C +ATOM 984 O ASP A 65 16.483 5.857 -14.990 1.00 1.00 O +ATOM 985 CB ASP A 65 16.600 9.029 -16.154 1.00 1.00 C +ATOM 986 CG ASP A 65 16.944 10.098 -17.193 1.00 1.00 C +ATOM 987 OD1 ASP A 65 18.118 10.115 -17.622 1.00 1.00 O +ATOM 988 OD2 ASP A 65 16.025 10.872 -17.537 1.00 1.00 O +ATOM 989 H ASP A 65 15.796 8.223 -18.367 1.00 1.00 H +ATOM 990 HA ASP A 65 17.809 7.300 -16.659 1.00 1.00 H +ATOM 991 HB2 ASP A 65 15.570 9.179 -15.829 1.00 1.00 H +ATOM 992 HB3 ASP A 65 17.234 9.178 -15.279 1.00 1.00 H +ATOM 993 N GLY A 66 14.623 6.886 -15.759 1.00 1.00 N +ATOM 994 CA GLY A 66 13.715 6.105 -14.937 1.00 1.00 C +ATOM 995 C GLY A 66 12.444 6.896 -14.619 1.00 1.00 C +ATOM 996 O GLY A 66 11.429 6.318 -14.233 1.00 1.00 O +ATOM 997 H GLY A 66 14.182 7.565 -16.347 1.00 1.00 H +ATOM 998 HA2 GLY A 66 13.453 5.182 -15.453 1.00 1.00 H +ATOM 999 HA3 GLY A 66 14.212 5.822 -14.008 1.00 1.00 H +ATOM 1000 N LYS A 67 12.541 8.206 -14.795 1.00 1.00 N +ATOM 1001 CA LYS A 67 11.412 9.082 -14.532 1.00 1.00 C +ATOM 1002 C LYS A 67 10.258 8.713 -15.467 1.00 1.00 C +ATOM 1003 O LYS A 67 10.478 8.159 -16.542 1.00 1.00 O +ATOM 1004 CB LYS A 67 11.837 10.548 -14.631 1.00 1.00 C +ATOM 1005 CG LYS A 67 13.327 10.709 -14.321 1.00 1.00 C +ATOM 1006 CD LYS A 67 13.639 12.130 -13.846 1.00 1.00 C +ATOM 1007 CE LYS A 67 13.182 12.339 -12.401 1.00 1.00 C +ATOM 1008 NZ LYS A 67 13.014 13.780 -12.115 1.00 1.00 N +ATOM 1009 H LYS A 67 13.370 8.668 -15.109 1.00 1.00 H +ATOM 1010 HA LYS A 67 11.094 8.907 -13.505 1.00 1.00 H +ATOM 1011 HB2 LYS A 67 11.627 10.926 -15.629 1.00 1.00 H +ATOM 1012 HB3 LYS A 67 11.251 11.147 -13.934 1.00 1.00 H +ATOM 1013 HG2 LYS A 67 13.622 9.993 -13.554 1.00 1.00 H +ATOM 1014 HG3 LYS A 67 13.913 10.481 -15.211 1.00 1.00 H +ATOM 1015 HD2 LYS A 67 14.710 12.316 -13.924 1.00 1.00 H +ATOM 1016 HD3 LYS A 67 13.143 12.851 -14.496 1.00 1.00 H +ATOM 1017 HE2 LYS A 67 12.240 11.816 -12.233 1.00 1.00 H +ATOM 1018 HE3 LYS A 67 13.913 11.908 -11.718 1.00 1.00 H +ATOM 1019 HZ1 LYS A 67 13.411 14.317 -12.859 1.00 1.00 H +ATOM 1020 HZ2 LYS A 67 12.040 13.993 -12.032 1.00 1.00 H +ATOM 1021 HZ3 LYS A 67 13.478 14.006 -11.257 1.00 1.00 H +ATOM 1022 N LEU A 68 9.052 9.036 -15.022 1.00 1.00 N +ATOM 1023 CA LEU A 68 7.863 8.745 -15.804 1.00 1.00 C +ATOM 1024 C LEU A 68 7.345 10.039 -16.437 1.00 1.00 C +ATOM 1025 O LEU A 68 6.830 10.911 -15.739 1.00 1.00 O +ATOM 1026 CB LEU A 68 6.823 8.018 -14.950 1.00 1.00 C +ATOM 1027 CG LEU A 68 7.141 6.564 -14.598 1.00 1.00 C +ATOM 1028 CD1 LEU A 68 8.057 6.484 -13.376 1.00 1.00 C +ATOM 1029 CD2 LEU A 68 5.858 5.753 -14.406 1.00 1.00 C +ATOM 1030 H LEU A 68 8.881 9.486 -14.145 1.00 1.00 H +ATOM 1031 HA LEU A 68 8.156 8.064 -16.603 1.00 1.00 H +ATOM 1032 HB2 LEU A 68 6.691 8.575 -14.023 1.00 1.00 H +ATOM 1033 HB3 LEU A 68 5.868 8.043 -15.475 1.00 1.00 H +ATOM 1034 HG LEU A 68 7.680 6.120 -15.434 1.00 1.00 H +ATOM 1035 HD11 LEU A 68 8.284 7.491 -13.024 1.00 1.00 H +ATOM 1036 HD12 LEU A 68 7.560 5.924 -12.585 1.00 1.00 H +ATOM 1037 HD13 LEU A 68 8.985 5.979 -13.649 1.00 1.00 H +ATOM 1038 HD21 LEU A 68 5.224 6.245 -13.669 1.00 1.00 H +ATOM 1039 HD22 LEU A 68 5.326 5.685 -15.356 1.00 1.00 H +ATOM 1040 HD23 LEU A 68 6.111 4.750 -14.059 1.00 1.00 H +ATOM 1041 N TYR A 69 7.501 10.122 -17.750 1.00 1.00 N +ATOM 1042 CA TYR A 69 7.055 11.294 -18.483 1.00 1.00 C +ATOM 1043 C TYR A 69 6.010 10.919 -19.537 1.00 1.00 C +ATOM 1044 O TYR A 69 6.050 9.821 -20.090 1.00 1.00 O +ATOM 1045 CB TYR A 69 8.295 11.848 -19.187 1.00 1.00 C +ATOM 1046 CG TYR A 69 8.574 11.209 -20.550 1.00 1.00 C +ATOM 1047 CD1 TYR A 69 7.807 11.555 -21.644 1.00 1.00 C +ATOM 1048 CD2 TYR A 69 9.592 10.288 -20.684 1.00 1.00 C +ATOM 1049 CE1 TYR A 69 8.070 10.954 -22.926 1.00 1.00 C +ATOM 1050 CE2 TYR A 69 9.855 9.687 -21.967 1.00 1.00 C +ATOM 1051 CZ TYR A 69 9.081 10.050 -23.024 1.00 1.00 C +ATOM 1052 OH TYR A 69 9.330 9.482 -24.234 1.00 1.00 O +ATOM 1053 H TYR A 69 7.921 9.408 -18.310 1.00 1.00 H +ATOM 1054 HA TYR A 69 6.608 11.988 -17.770 1.00 1.00 H +ATOM 1055 HB2 TYR A 69 8.176 12.923 -19.319 1.00 1.00 H +ATOM 1056 HB3 TYR A 69 9.162 11.700 -18.544 1.00 1.00 H +ATOM 1057 HD1 TYR A 69 7.002 12.282 -21.538 1.00 1.00 H +ATOM 1058 HD2 TYR A 69 10.198 10.015 -19.820 1.00 1.00 H +ATOM 1059 HE1 TYR A 69 7.472 11.218 -23.798 1.00 1.00 H +ATOM 1060 HE2 TYR A 69 10.656 8.958 -22.086 1.00 1.00 H +ATOM 1061 HH TYR A 69 8.949 10.052 -24.964 1.00 1.00 H +ATOM 1062 N VAL A 70 5.101 11.850 -19.780 1.00 1.00 N +ATOM 1063 CA VAL A 70 4.048 11.630 -20.757 1.00 1.00 C +ATOM 1064 C VAL A 70 4.435 12.297 -22.077 1.00 1.00 C +ATOM 1065 O VAL A 70 4.136 11.776 -23.152 1.00 1.00 O +ATOM 1066 CB VAL A 70 2.710 12.128 -20.206 1.00 1.00 C +ATOM 1067 CG1 VAL A 70 1.594 11.963 -21.240 1.00 1.00 C +ATOM 1068 CG2 VAL A 70 2.357 11.416 -18.899 1.00 1.00 C +ATOM 1069 H VAL A 70 5.075 12.740 -19.324 1.00 1.00 H +ATOM 1070 HA VAL A 70 3.966 10.554 -20.918 1.00 1.00 H +ATOM 1071 HB VAL A 70 2.811 13.192 -19.990 1.00 1.00 H +ATOM 1072 HG11 VAL A 70 1.577 10.932 -21.593 1.00 1.00 H +ATOM 1073 HG12 VAL A 70 0.636 12.207 -20.781 1.00 1.00 H +ATOM 1074 HG13 VAL A 70 1.777 12.632 -22.081 1.00 1.00 H +ATOM 1075 HG21 VAL A 70 2.612 10.360 -18.979 1.00 1.00 H +ATOM 1076 HG22 VAL A 70 2.917 11.865 -18.077 1.00 1.00 H +ATOM 1077 HG23 VAL A 70 1.288 11.518 -18.707 1.00 1.00 H +ATOM 1078 N SER A 71 5.094 13.439 -21.957 1.00 1.00 N +ATOM 1079 CA SER A 71 5.527 14.183 -23.127 1.00 1.00 C +ATOM 1080 C SER A 71 7.018 13.950 -23.374 1.00 1.00 C +ATOM 1081 O SER A 71 7.398 13.348 -24.376 1.00 1.00 O +ATOM 1082 CB SER A 71 5.242 15.678 -22.967 1.00 1.00 C +ATOM 1083 OG SER A 71 5.227 16.356 -24.219 1.00 1.00 O +ATOM 1084 H SER A 71 5.334 13.857 -21.079 1.00 1.00 H +ATOM 1085 HA SER A 71 4.936 13.789 -23.953 1.00 1.00 H +ATOM 1086 HB2 SER A 71 4.280 15.812 -22.470 1.00 1.00 H +ATOM 1087 HB3 SER A 71 5.998 16.124 -22.321 1.00 1.00 H +ATOM 1088 HG SER A 71 4.461 16.032 -24.775 1.00 1.00 H +ATOM 1089 N SER A 72 7.822 14.441 -22.442 1.00 1.00 N +ATOM 1090 CA SER A 72 9.265 14.294 -22.546 1.00 1.00 C +ATOM 1091 C SER A 72 9.958 15.220 -21.546 1.00 1.00 C +ATOM 1092 O SER A 72 10.666 14.758 -20.653 1.00 1.00 O +ATOM 1093 CB SER A 72 9.748 14.590 -23.967 1.00 1.00 C +ATOM 1094 OG SER A 72 10.329 13.443 -24.584 1.00 1.00 O +ATOM 1095 H SER A 72 7.504 14.929 -21.630 1.00 1.00 H +ATOM 1096 HA SER A 72 9.466 13.250 -22.304 1.00 1.00 H +ATOM 1097 HB2 SER A 72 8.909 14.940 -24.569 1.00 1.00 H +ATOM 1098 HB3 SER A 72 10.479 15.397 -23.941 1.00 1.00 H +ATOM 1099 HG SER A 72 10.573 12.768 -23.887 1.00 1.00 H +ATOM 1100 N GLU A 73 9.731 16.514 -21.729 1.00 1.00 N +ATOM 1101 CA GLU A 73 10.325 17.509 -20.855 1.00 1.00 C +ATOM 1102 C GLU A 73 9.531 17.612 -19.550 1.00 1.00 C +ATOM 1103 O GLU A 73 9.892 18.379 -18.659 1.00 1.00 O +ATOM 1104 CB GLU A 73 10.414 18.868 -21.551 1.00 1.00 C +ATOM 1105 CG GLU A 73 9.539 19.905 -20.845 1.00 1.00 C +ATOM 1106 CD GLU A 73 9.373 21.159 -21.705 1.00 1.00 C +ATOM 1107 OE1 GLU A 73 10.344 21.491 -22.418 1.00 1.00 O +ATOM 1108 OE2 GLU A 73 8.278 21.758 -21.630 1.00 1.00 O +ATOM 1109 H GLU A 73 9.154 16.882 -22.458 1.00 1.00 H +ATOM 1110 HA GLU A 73 11.332 17.147 -20.646 1.00 1.00 H +ATOM 1111 HB2 GLU A 73 11.450 19.209 -21.562 1.00 1.00 H +ATOM 1112 HB3 GLU A 73 10.101 18.770 -22.591 1.00 1.00 H +ATOM 1113 HG2 GLU A 73 8.561 19.474 -20.629 1.00 1.00 H +ATOM 1114 HG3 GLU A 73 9.987 20.174 -19.888 1.00 1.00 H +ATOM 1115 N SER A 74 8.465 16.830 -19.481 1.00 1.00 N +ATOM 1116 CA SER A 74 7.615 16.824 -18.302 1.00 1.00 C +ATOM 1117 C SER A 74 7.618 15.433 -17.664 1.00 1.00 C +ATOM 1118 O SER A 74 6.596 14.747 -17.660 1.00 1.00 O +ATOM 1119 CB SER A 74 6.187 17.247 -18.649 1.00 1.00 C +ATOM 1120 OG SER A 74 6.113 17.887 -19.921 1.00 1.00 O +ATOM 1121 H SER A 74 8.178 16.209 -20.212 1.00 1.00 H +ATOM 1122 HA SER A 74 8.056 17.557 -17.626 1.00 1.00 H +ATOM 1123 HB2 SER A 74 5.539 16.371 -18.648 1.00 1.00 H +ATOM 1124 HB3 SER A 74 5.811 17.923 -17.882 1.00 1.00 H +ATOM 1125 HG SER A 74 6.936 17.687 -20.452 1.00 1.00 H +ATOM 1126 N ARG A 75 8.775 15.060 -17.140 1.00 1.00 N +ATOM 1127 CA ARG A 75 8.923 13.763 -16.499 1.00 1.00 C +ATOM 1128 C ARG A 75 8.584 13.865 -15.011 1.00 1.00 C +ATOM 1129 O ARG A 75 8.833 14.892 -14.383 1.00 1.00 O +ATOM 1130 CB ARG A 75 10.348 13.231 -16.657 1.00 1.00 C +ATOM 1131 CG ARG A 75 11.145 14.082 -17.649 1.00 1.00 C +ATOM 1132 CD ARG A 75 12.329 13.296 -18.216 1.00 1.00 C +ATOM 1133 NE ARG A 75 13.063 14.126 -19.198 1.00 1.00 N +ATOM 1134 CZ ARG A 75 14.294 13.845 -19.648 1.00 1.00 C +ATOM 1135 NH1 ARG A 75 14.935 12.754 -19.208 1.00 1.00 N +ATOM 1136 NH2 ARG A 75 14.884 14.656 -20.537 1.00 1.00 N +ATOM 1137 H ARG A 75 9.600 15.623 -17.148 1.00 1.00 H +ATOM 1138 HA ARG A 75 8.218 13.114 -17.019 1.00 1.00 H +ATOM 1139 HB2 ARG A 75 10.849 13.231 -15.688 1.00 1.00 H +ATOM 1140 HB3 ARG A 75 10.319 12.197 -17.000 1.00 1.00 H +ATOM 1141 HG2 ARG A 75 10.495 14.404 -18.461 1.00 1.00 H +ATOM 1142 HG3 ARG A 75 11.508 14.981 -17.153 1.00 1.00 H +ATOM 1143 HD2 ARG A 75 12.997 12.995 -17.410 1.00 1.00 H +ATOM 1144 HD3 ARG A 75 11.974 12.383 -18.695 1.00 1.00 H +ATOM 1145 HE ARG A 75 12.614 14.948 -19.546 1.00 1.00 H +ATOM 1146 HH11 ARG A 75 14.495 12.149 -18.545 1.00 1.00 H +ATOM 1147 HH12 ARG A 75 15.853 12.543 -19.545 1.00 1.00 H +ATOM 1148 HH21 ARG A 75 14.404 15.470 -20.865 1.00 1.00 H +ATOM 1149 HH22 ARG A 75 15.801 14.446 -20.874 1.00 1.00 H +ATOM 1150 N PHE A 76 8.022 12.784 -14.489 1.00 1.00 N +ATOM 1151 CA PHE A 76 7.646 12.738 -13.087 1.00 1.00 C +ATOM 1152 C PHE A 76 8.023 11.392 -12.463 1.00 1.00 C +ATOM 1153 O PHE A 76 8.106 10.383 -13.159 1.00 1.00 O +ATOM 1154 CB PHE A 76 6.128 12.909 -13.024 1.00 1.00 C +ATOM 1155 CG PHE A 76 5.621 14.202 -13.667 1.00 1.00 C +ATOM 1156 CD1 PHE A 76 5.692 15.375 -12.983 1.00 1.00 C +ATOM 1157 CD2 PHE A 76 5.097 14.177 -14.922 1.00 1.00 C +ATOM 1158 CE1 PHE A 76 5.222 16.575 -13.578 1.00 1.00 C +ATOM 1159 CE2 PHE A 76 4.626 15.377 -15.518 1.00 1.00 C +ATOM 1160 CZ PHE A 76 4.698 16.550 -14.834 1.00 1.00 C +ATOM 1161 H PHE A 76 7.823 11.952 -15.008 1.00 1.00 H +ATOM 1162 HA PHE A 76 8.190 13.536 -12.580 1.00 1.00 H +ATOM 1163 HB2 PHE A 76 5.656 12.061 -13.519 1.00 1.00 H +ATOM 1164 HB3 PHE A 76 5.812 12.886 -11.981 1.00 1.00 H +ATOM 1165 HD1 PHE A 76 6.112 15.395 -11.977 1.00 1.00 H +ATOM 1166 HD2 PHE A 76 5.040 13.236 -15.470 1.00 1.00 H +ATOM 1167 HE1 PHE A 76 5.280 17.515 -13.031 1.00 1.00 H +ATOM 1168 HE2 PHE A 76 4.207 15.358 -16.524 1.00 1.00 H +ATOM 1169 HZ PHE A 76 4.336 17.471 -15.292 1.00 1.00 H +ATOM 1170 N ASN A 77 8.241 11.423 -11.156 1.00 1.00 N +ATOM 1171 CA ASN A 77 8.606 10.220 -10.430 1.00 1.00 C +ATOM 1172 C ASN A 77 7.339 9.534 -9.916 1.00 1.00 C +ATOM 1173 O ASN A 77 7.257 8.307 -9.895 1.00 1.00 O +ATOM 1174 CB ASN A 77 9.488 10.549 -9.224 1.00 1.00 C +ATOM 1175 CG ASN A 77 10.970 10.403 -9.571 1.00 1.00 C +ATOM 1176 OD1 ASN A 77 11.356 9.667 -10.464 1.00 1.00 O +ATOM 1177 ND2 ASN A 77 11.777 11.147 -8.818 1.00 1.00 N +ATOM 1178 H ASN A 77 8.172 12.250 -10.598 1.00 1.00 H +ATOM 1179 HA ASN A 77 9.150 9.606 -11.148 1.00 1.00 H +ATOM 1180 HB2 ASN A 77 9.286 11.567 -8.890 1.00 1.00 H +ATOM 1181 HB3 ASN A 77 9.238 9.888 -8.394 1.00 1.00 H +ATOM 1182 HD21 ASN A 77 11.395 11.730 -8.102 1.00 1.00 H +ATOM 1183 HD22 ASN A 77 12.765 11.120 -8.969 1.00 1.00 H +ATOM 1184 N THR A 78 6.380 10.356 -9.516 1.00 1.00 N +ATOM 1185 CA THR A 78 5.121 9.846 -9.004 1.00 1.00 C +ATOM 1186 C THR A 78 3.960 10.301 -9.891 1.00 1.00 C +ATOM 1187 O THR A 78 3.867 11.475 -10.244 1.00 1.00 O +ATOM 1188 CB THR A 78 4.984 10.296 -7.547 1.00 1.00 C +ATOM 1189 OG1 THR A 78 5.484 11.630 -7.549 1.00 1.00 O +ATOM 1190 CG2 THR A 78 5.931 9.543 -6.611 1.00 1.00 C +ATOM 1191 H THR A 78 6.455 11.354 -9.536 1.00 1.00 H +ATOM 1192 HA THR A 78 5.149 8.757 -9.046 1.00 1.00 H +ATOM 1193 HB THR A 78 3.952 10.210 -7.208 1.00 1.00 H +ATOM 1194 HG1 THR A 78 5.093 12.141 -8.313 1.00 1.00 H +ATOM 1195 HG21 THR A 78 6.928 9.509 -7.053 1.00 1.00 H +ATOM 1196 HG22 THR A 78 5.979 10.059 -5.651 1.00 1.00 H +ATOM 1197 HG23 THR A 78 5.566 8.528 -6.461 1.00 1.00 H +ATOM 1198 N LEU A 79 3.104 9.347 -10.226 1.00 1.00 N +ATOM 1199 CA LEU A 79 1.955 9.635 -11.066 1.00 1.00 C +ATOM 1200 C LEU A 79 1.286 10.925 -10.584 1.00 1.00 C +ATOM 1201 O LEU A 79 0.903 11.769 -11.391 1.00 1.00 O +ATOM 1202 CB LEU A 79 1.009 8.432 -11.112 1.00 1.00 C +ATOM 1203 CG LEU A 79 0.475 7.947 -9.761 1.00 1.00 C +ATOM 1204 CD1 LEU A 79 -0.913 7.322 -9.914 1.00 1.00 C +ATOM 1205 CD2 LEU A 79 1.464 6.994 -9.090 1.00 1.00 C +ATOM 1206 H LEU A 79 3.188 8.394 -9.935 1.00 1.00 H +ATOM 1207 HA LEU A 79 2.322 9.794 -12.080 1.00 1.00 H +ATOM 1208 HB2 LEU A 79 0.160 8.685 -11.746 1.00 1.00 H +ATOM 1209 HB3 LEU A 79 1.531 7.604 -11.591 1.00 1.00 H +ATOM 1210 HG LEU A 79 0.367 8.813 -9.107 1.00 1.00 H +ATOM 1211 HD11 LEU A 79 -1.172 7.267 -10.971 1.00 1.00 H +ATOM 1212 HD12 LEU A 79 -0.906 6.317 -9.490 1.00 1.00 H +ATOM 1213 HD13 LEU A 79 -1.647 7.933 -9.391 1.00 1.00 H +ATOM 1214 HD21 LEU A 79 2.229 6.698 -9.809 1.00 1.00 H +ATOM 1215 HD22 LEU A 79 1.935 7.494 -8.244 1.00 1.00 H +ATOM 1216 HD23 LEU A 79 0.934 6.108 -8.739 1.00 1.00 H +ATOM 1217 N ALA A 80 1.166 11.035 -9.270 1.00 1.00 N +ATOM 1218 CA ALA A 80 0.551 12.207 -8.669 1.00 1.00 C +ATOM 1219 C ALA A 80 1.072 13.463 -9.369 1.00 1.00 C +ATOM 1220 O ALA A 80 0.306 14.181 -10.013 1.00 1.00 O +ATOM 1221 CB ALA A 80 0.832 12.218 -7.165 1.00 1.00 C +ATOM 1222 H ALA A 80 1.480 10.343 -8.618 1.00 1.00 H +ATOM 1223 HA ALA A 80 -0.526 12.133 -8.826 1.00 1.00 H +ATOM 1224 HB1 ALA A 80 1.907 12.139 -6.996 1.00 1.00 H +ATOM 1225 HB2 ALA A 80 0.464 13.148 -6.734 1.00 1.00 H +ATOM 1226 HB3 ALA A 80 0.327 11.374 -6.695 1.00 1.00 H +ATOM 1227 N GLU A 81 2.367 13.692 -9.219 1.00 1.00 N +ATOM 1228 CA GLU A 81 2.997 14.852 -9.829 1.00 1.00 C +ATOM 1229 C GLU A 81 2.687 14.897 -11.326 1.00 1.00 C +ATOM 1230 O GLU A 81 2.602 15.975 -11.914 1.00 1.00 O +ATOM 1231 CB GLU A 81 4.507 14.850 -9.580 1.00 1.00 C +ATOM 1232 CG GLU A 81 4.836 15.408 -8.195 1.00 1.00 C +ATOM 1233 CD GLU A 81 4.081 14.646 -7.103 1.00 1.00 C +ATOM 1234 OE1 GLU A 81 2.844 14.813 -7.047 1.00 1.00 O +ATOM 1235 OE2 GLU A 81 4.759 13.915 -6.350 1.00 1.00 O +ATOM 1236 H GLU A 81 2.981 13.104 -8.694 1.00 1.00 H +ATOM 1237 HA GLU A 81 2.555 15.716 -9.333 1.00 1.00 H +ATOM 1238 HB2 GLU A 81 4.891 13.832 -9.668 1.00 1.00 H +ATOM 1239 HB3 GLU A 81 5.006 15.445 -10.345 1.00 1.00 H +ATOM 1240 HG2 GLU A 81 5.909 15.338 -8.015 1.00 1.00 H +ATOM 1241 HG3 GLU A 81 4.573 16.465 -8.154 1.00 1.00 H +ATOM 1242 N LEU A 82 2.529 13.715 -11.902 1.00 1.00 N +ATOM 1243 CA LEU A 82 2.231 13.606 -13.320 1.00 1.00 C +ATOM 1244 C LEU A 82 0.859 14.225 -13.597 1.00 1.00 C +ATOM 1245 O LEU A 82 0.691 14.961 -14.568 1.00 1.00 O +ATOM 1246 CB LEU A 82 2.356 12.154 -13.785 1.00 1.00 C +ATOM 1247 CG LEU A 82 2.416 11.937 -15.298 1.00 1.00 C +ATOM 1248 CD1 LEU A 82 3.734 11.270 -15.702 1.00 1.00 C +ATOM 1249 CD2 LEU A 82 1.202 11.148 -15.787 1.00 1.00 C +ATOM 1250 H LEU A 82 2.599 12.843 -11.418 1.00 1.00 H +ATOM 1251 HA LEU A 82 2.984 14.182 -13.857 1.00 1.00 H +ATOM 1252 HB2 LEU A 82 3.254 11.727 -13.339 1.00 1.00 H +ATOM 1253 HB3 LEU A 82 1.509 11.594 -13.391 1.00 1.00 H +ATOM 1254 HG LEU A 82 2.387 12.911 -15.784 1.00 1.00 H +ATOM 1255 HD11 LEU A 82 4.432 11.307 -14.866 1.00 1.00 H +ATOM 1256 HD12 LEU A 82 3.547 10.231 -15.973 1.00 1.00 H +ATOM 1257 HD13 LEU A 82 4.160 11.798 -16.556 1.00 1.00 H +ATOM 1258 HD21 LEU A 82 0.380 11.269 -15.080 1.00 1.00 H +ATOM 1259 HD22 LEU A 82 0.897 11.522 -16.765 1.00 1.00 H +ATOM 1260 HD23 LEU A 82 1.461 10.092 -15.867 1.00 1.00 H +ATOM 1261 N VAL A 83 -0.086 13.903 -12.728 1.00 1.00 N +ATOM 1262 CA VAL A 83 -1.438 14.417 -12.866 1.00 1.00 C +ATOM 1263 C VAL A 83 -1.470 15.881 -12.420 1.00 1.00 C +ATOM 1264 O VAL A 83 -2.095 16.718 -13.071 1.00 1.00 O +ATOM 1265 CB VAL A 83 -2.418 13.535 -12.089 1.00 1.00 C +ATOM 1266 CG1 VAL A 83 -3.803 14.182 -12.020 1.00 1.00 C +ATOM 1267 CG2 VAL A 83 -2.495 12.134 -12.700 1.00 1.00 C +ATOM 1268 H VAL A 83 0.058 13.304 -11.939 1.00 1.00 H +ATOM 1269 HA VAL A 83 -1.703 14.366 -13.923 1.00 1.00 H +ATOM 1270 HB VAL A 83 -2.042 13.435 -11.071 1.00 1.00 H +ATOM 1271 HG11 VAL A 83 -4.065 14.583 -12.998 1.00 1.00 H +ATOM 1272 HG12 VAL A 83 -4.537 13.433 -11.725 1.00 1.00 H +ATOM 1273 HG13 VAL A 83 -3.789 14.988 -11.287 1.00 1.00 H +ATOM 1274 HG21 VAL A 83 -2.537 12.214 -13.786 1.00 1.00 H +ATOM 1275 HG22 VAL A 83 -1.614 11.562 -12.410 1.00 1.00 H +ATOM 1276 HG23 VAL A 83 -3.391 11.629 -12.337 1.00 1.00 H +ATOM 1277 N HIS A 84 -0.788 16.145 -11.317 1.00 1.00 N +ATOM 1278 CA HIS A 84 -0.731 17.493 -10.777 1.00 1.00 C +ATOM 1279 C HIS A 84 -0.435 18.485 -11.904 1.00 1.00 C +ATOM 1280 O HIS A 84 -1.162 19.461 -12.083 1.00 1.00 O +ATOM 1281 CB HIS A 84 0.282 17.578 -9.633 1.00 1.00 C +ATOM 1282 CG HIS A 84 -0.334 17.892 -8.290 1.00 1.00 C +ATOM 1283 ND1 HIS A 84 -1.655 17.611 -7.987 1.00 1.00 N +ATOM 1284 CD2 HIS A 84 0.204 18.466 -7.175 1.00 1.00 C +ATOM 1285 CE1 HIS A 84 -1.891 18.002 -6.742 1.00 1.00 C +ATOM 1286 NE2 HIS A 84 -0.738 18.532 -6.241 1.00 1.00 N +ATOM 1287 H HIS A 84 -0.281 15.460 -10.794 1.00 1.00 H +ATOM 1288 HA HIS A 84 -1.716 17.707 -10.366 1.00 1.00 H +ATOM 1289 HB2 HIS A 84 0.815 16.630 -9.563 1.00 1.00 H +ATOM 1290 HB3 HIS A 84 1.020 18.342 -9.871 1.00 1.00 H +ATOM 1291 HD1 HIS A 84 -2.318 17.186 -8.601 1.00 1.00 H +ATOM 1292 HD2 HIS A 84 1.233 18.809 -7.069 1.00 1.00 H +ATOM 1293 HE1 HIS A 84 -2.839 17.916 -6.213 1.00 1.00 H +ATOM 1294 N HIS A 85 0.632 18.200 -12.635 1.00 1.00 N +ATOM 1295 CA HIS A 85 1.034 19.055 -13.739 1.00 1.00 C +ATOM 1296 C HIS A 85 0.033 18.910 -14.889 1.00 1.00 C +ATOM 1297 O HIS A 85 -0.331 19.897 -15.528 1.00 1.00 O +ATOM 1298 CB HIS A 85 2.472 18.757 -14.163 1.00 1.00 C +ATOM 1299 CG HIS A 85 2.859 19.363 -15.491 1.00 1.00 C +ATOM 1300 ND1 HIS A 85 3.025 20.725 -15.674 1.00 1.00 N +ATOM 1301 CD2 HIS A 85 3.113 18.779 -16.697 1.00 1.00 C +ATOM 1302 CE1 HIS A 85 3.363 20.940 -16.937 1.00 1.00 C +ATOM 1303 NE2 HIS A 85 3.416 19.734 -17.570 1.00 1.00 N +ATOM 1304 H HIS A 85 1.219 17.405 -12.483 1.00 1.00 H +ATOM 1305 HA HIS A 85 1.001 20.080 -13.369 1.00 1.00 H +ATOM 1306 HB2 HIS A 85 3.151 19.126 -13.395 1.00 1.00 H +ATOM 1307 HB3 HIS A 85 2.607 17.676 -14.217 1.00 1.00 H +ATOM 1308 HD1 HIS A 85 2.909 21.427 -14.971 1.00 1.00 H +ATOM 1309 HD2 HIS A 85 3.073 17.712 -16.910 1.00 1.00 H +ATOM 1310 HE1 HIS A 85 3.561 21.911 -17.391 1.00 1.00 H +ATOM 1311 N HIS A 86 -0.382 17.674 -15.115 1.00 1.00 N +ATOM 1312 CA HIS A 86 -1.333 17.387 -16.178 1.00 1.00 C +ATOM 1313 C HIS A 86 -2.735 17.813 -15.739 1.00 1.00 C +ATOM 1314 O HIS A 86 -3.716 17.534 -16.427 1.00 1.00 O +ATOM 1315 CB HIS A 86 -1.261 15.914 -16.588 1.00 1.00 C +ATOM 1316 CG HIS A 86 0.015 15.537 -17.302 1.00 1.00 C +ATOM 1317 ND1 HIS A 86 0.744 16.437 -18.061 1.00 1.00 N +ATOM 1318 CD2 HIS A 86 0.684 14.350 -17.364 1.00 1.00 C +ATOM 1319 CE1 HIS A 86 1.801 15.809 -18.553 1.00 1.00 C +ATOM 1320 NE2 HIS A 86 1.761 14.515 -18.120 1.00 1.00 N +ATOM 1321 H HIS A 86 -0.082 16.877 -14.592 1.00 1.00 H +ATOM 1322 HA HIS A 86 -1.031 17.985 -17.036 1.00 1.00 H +ATOM 1323 HB2 HIS A 86 -1.363 15.295 -15.696 1.00 1.00 H +ATOM 1324 HB3 HIS A 86 -2.108 15.686 -17.234 1.00 1.00 H +ATOM 1325 HD1 HIS A 86 0.511 17.397 -18.211 1.00 1.00 H +ATOM 1326 HD2 HIS A 86 0.383 13.423 -16.875 1.00 1.00 H +ATOM 1327 HE1 HIS A 86 2.568 16.247 -19.190 1.00 1.00 H +ATOM 1328 N SER A 87 -2.786 18.482 -14.597 1.00 1.00 N +ATOM 1329 CA SER A 87 -4.052 18.949 -14.058 1.00 1.00 C +ATOM 1330 C SER A 87 -4.341 20.365 -14.557 1.00 1.00 C +ATOM 1331 O SER A 87 -5.500 20.753 -14.700 1.00 1.00 O +ATOM 1332 CB SER A 87 -4.045 18.916 -12.529 1.00 1.00 C +ATOM 1333 OG SER A 87 -5.337 19.177 -11.985 1.00 1.00 O +ATOM 1334 H SER A 87 -1.983 18.705 -14.044 1.00 1.00 H +ATOM 1335 HA SER A 87 -4.800 18.252 -14.434 1.00 1.00 H +ATOM 1336 HB2 SER A 87 -3.699 17.941 -12.189 1.00 1.00 H +ATOM 1337 HB3 SER A 87 -3.338 19.655 -12.153 1.00 1.00 H +ATOM 1338 HG SER A 87 -5.904 18.356 -12.041 1.00 1.00 H +ATOM 1339 N THR A 88 -3.268 21.102 -14.809 1.00 1.00 N +ATOM 1340 CA THR A 88 -3.393 22.467 -15.289 1.00 1.00 C +ATOM 1341 C THR A 88 -2.688 22.625 -16.638 1.00 1.00 C +ATOM 1342 O THR A 88 -3.095 23.442 -17.463 1.00 1.00 O +ATOM 1343 CB THR A 88 -2.846 23.401 -14.206 1.00 1.00 C +ATOM 1344 OG1 THR A 88 -1.508 22.953 -14.005 1.00 1.00 O +ATOM 1345 CG2 THR A 88 -3.521 23.181 -12.851 1.00 1.00 C +ATOM 1346 H THR A 88 -2.329 20.779 -14.691 1.00 1.00 H +ATOM 1347 HA THR A 88 -4.449 22.679 -15.453 1.00 1.00 H +ATOM 1348 HB THR A 88 -2.924 24.443 -14.516 1.00 1.00 H +ATOM 1349 HG1 THR A 88 -1.483 22.270 -13.276 1.00 1.00 H +ATOM 1350 HG21 THR A 88 -3.383 22.147 -12.539 1.00 1.00 H +ATOM 1351 HG22 THR A 88 -3.074 23.846 -12.111 1.00 1.00 H +ATOM 1352 HG23 THR A 88 -4.586 23.397 -12.936 1.00 1.00 H +ATOM 1353 N VAL A 89 -1.645 21.830 -16.821 1.00 1.00 N +ATOM 1354 CA VAL A 89 -0.880 21.870 -18.056 1.00 1.00 C +ATOM 1355 C VAL A 89 -0.627 20.442 -18.541 1.00 1.00 C +ATOM 1356 O VAL A 89 0.418 19.860 -18.251 1.00 1.00 O +ATOM 1357 CB VAL A 89 0.408 22.668 -17.848 1.00 1.00 C +ATOM 1358 CG1 VAL A 89 1.342 22.525 -19.051 1.00 1.00 C +ATOM 1359 CG2 VAL A 89 0.102 24.141 -17.565 1.00 1.00 C +ATOM 1360 H VAL A 89 -1.321 21.168 -16.145 1.00 1.00 H +ATOM 1361 HA VAL A 89 -1.484 22.391 -18.800 1.00 1.00 H +ATOM 1362 HB VAL A 89 0.918 22.260 -16.977 1.00 1.00 H +ATOM 1363 HG11 VAL A 89 1.349 21.487 -19.384 1.00 1.00 H +ATOM 1364 HG12 VAL A 89 0.993 23.164 -19.861 1.00 1.00 H +ATOM 1365 HG13 VAL A 89 2.351 22.821 -18.764 1.00 1.00 H +ATOM 1366 HG21 VAL A 89 -0.967 24.260 -17.377 1.00 1.00 H +ATOM 1367 HG22 VAL A 89 0.662 24.468 -16.691 1.00 1.00 H +ATOM 1368 HG23 VAL A 89 0.387 24.744 -18.427 1.00 1.00 H +ATOM 1369 N ALA A 90 -1.600 19.916 -19.271 1.00 1.00 N +ATOM 1370 CA ALA A 90 -1.494 18.567 -19.799 1.00 1.00 C +ATOM 1371 C ALA A 90 -0.522 18.560 -20.980 1.00 1.00 C +ATOM 1372 O ALA A 90 -0.932 18.377 -22.126 1.00 1.00 O +ATOM 1373 CB ALA A 90 -2.885 18.060 -20.186 1.00 1.00 C +ATOM 1374 H ALA A 90 -2.446 20.396 -19.503 1.00 1.00 H +ATOM 1375 HA ALA A 90 -1.096 17.930 -19.008 1.00 1.00 H +ATOM 1376 HB1 ALA A 90 -3.644 18.697 -19.731 1.00 1.00 H +ATOM 1377 HB2 ALA A 90 -2.992 18.084 -21.269 1.00 1.00 H +ATOM 1378 HB3 ALA A 90 -3.011 17.037 -19.831 1.00 1.00 H +ATOM 1379 N ASP A 91 0.748 18.763 -20.661 1.00 1.00 N +ATOM 1380 CA ASP A 91 1.782 18.782 -21.682 1.00 1.00 C +ATOM 1381 C ASP A 91 1.978 17.367 -22.231 1.00 1.00 C +ATOM 1382 O ASP A 91 2.713 17.168 -23.197 1.00 1.00 O +ATOM 1383 CB ASP A 91 3.118 19.253 -21.104 1.00 1.00 C +ATOM 1384 CG ASP A 91 4.255 19.377 -22.121 1.00 1.00 C +ATOM 1385 OD1 ASP A 91 4.913 18.341 -22.364 1.00 1.00 O +ATOM 1386 OD2 ASP A 91 4.441 20.502 -22.630 1.00 1.00 O +ATOM 1387 H ASP A 91 1.073 18.911 -19.727 1.00 1.00 H +ATOM 1388 HA ASP A 91 1.423 19.477 -22.440 1.00 1.00 H +ATOM 1389 HB2 ASP A 91 2.969 20.223 -20.628 1.00 1.00 H +ATOM 1390 HB3 ASP A 91 3.424 18.560 -20.322 1.00 1.00 H +ATOM 1391 N GLY A 92 1.307 16.420 -21.591 1.00 1.00 N +ATOM 1392 CA GLY A 92 1.398 15.030 -22.002 1.00 1.00 C +ATOM 1393 C GLY A 92 0.009 14.437 -22.243 1.00 1.00 C +ATOM 1394 O GLY A 92 -0.291 13.971 -23.340 1.00 1.00 O +ATOM 1395 H GLY A 92 0.711 16.591 -20.805 1.00 1.00 H +ATOM 1396 HA2 GLY A 92 1.991 14.955 -22.914 1.00 1.00 H +ATOM 1397 HA3 GLY A 92 1.917 14.454 -21.237 1.00 1.00 H +ATOM 1398 N LEU A 93 -0.805 14.476 -21.196 1.00 1.00 N +ATOM 1399 CA LEU A 93 -2.156 13.948 -21.279 1.00 1.00 C +ATOM 1400 C LEU A 93 -2.993 14.841 -22.198 1.00 1.00 C +ATOM 1401 O LEU A 93 -2.868 16.065 -22.161 1.00 1.00 O +ATOM 1402 CB LEU A 93 -2.751 13.776 -19.880 1.00 1.00 C +ATOM 1403 CG LEU A 93 -1.855 13.084 -18.851 1.00 1.00 C +ATOM 1404 CD1 LEU A 93 -2.395 13.282 -17.434 1.00 1.00 C +ATOM 1405 CD2 LEU A 93 -1.669 11.604 -19.192 1.00 1.00 C +ATOM 1406 H LEU A 93 -0.554 14.857 -20.307 1.00 1.00 H +ATOM 1407 HA LEU A 93 -2.093 12.956 -21.727 1.00 1.00 H +ATOM 1408 HB2 LEU A 93 -3.017 14.761 -19.497 1.00 1.00 H +ATOM 1409 HB3 LEU A 93 -3.676 13.207 -19.968 1.00 1.00 H +ATOM 1410 HG LEU A 93 -0.870 13.549 -18.887 1.00 1.00 H +ATOM 1411 HD11 LEU A 93 -3.188 14.030 -17.448 1.00 1.00 H +ATOM 1412 HD12 LEU A 93 -2.794 12.338 -17.062 1.00 1.00 H +ATOM 1413 HD13 LEU A 93 -1.589 13.618 -16.781 1.00 1.00 H +ATOM 1414 HD21 LEU A 93 -2.185 11.379 -20.125 1.00 1.00 H +ATOM 1415 HD22 LEU A 93 -0.607 11.387 -19.303 1.00 1.00 H +ATOM 1416 HD23 LEU A 93 -2.084 10.991 -18.392 1.00 1.00 H +ATOM 1417 N ILE A 94 -3.825 14.195 -23.000 1.00 1.00 N +ATOM 1418 CA ILE A 94 -4.681 14.916 -23.927 1.00 1.00 C +ATOM 1419 C ILE A 94 -5.509 15.944 -23.155 1.00 1.00 C +ATOM 1420 O ILE A 94 -5.238 17.143 -23.223 1.00 1.00 O +ATOM 1421 CB ILE A 94 -5.526 13.938 -24.748 1.00 1.00 C +ATOM 1422 CG1 ILE A 94 -6.727 14.647 -25.378 1.00 1.00 C +ATOM 1423 CG2 ILE A 94 -5.949 12.736 -23.902 1.00 1.00 C +ATOM 1424 CD1 ILE A 94 -7.946 14.583 -24.457 1.00 1.00 C +ATOM 1425 H ILE A 94 -3.920 13.199 -23.025 1.00 1.00 H +ATOM 1426 HA ILE A 94 -4.035 15.447 -24.626 1.00 1.00 H +ATOM 1427 HB ILE A 94 -4.911 13.559 -25.563 1.00 1.00 H +ATOM 1428 HG12 ILE A 94 -6.474 15.687 -25.582 1.00 1.00 H +ATOM 1429 HG13 ILE A 94 -6.965 14.184 -26.336 1.00 1.00 H +ATOM 1430 HG21 ILE A 94 -6.154 13.063 -22.883 1.00 1.00 H +ATOM 1431 HG22 ILE A 94 -6.848 12.290 -24.328 1.00 1.00 H +ATOM 1432 HG23 ILE A 94 -5.146 11.998 -23.893 1.00 1.00 H +ATOM 1433 HD11 ILE A 94 -7.804 13.794 -23.719 1.00 1.00 H +ATOM 1434 HD12 ILE A 94 -8.067 15.539 -23.947 1.00 1.00 H +ATOM 1435 HD13 ILE A 94 -8.838 14.372 -25.048 1.00 1.00 H +ATOM 1436 N THR A 95 -6.502 15.440 -22.436 1.00 1.00 N +ATOM 1437 CA THR A 95 -7.370 16.300 -21.652 1.00 1.00 C +ATOM 1438 C THR A 95 -6.695 16.682 -20.333 1.00 1.00 C +ATOM 1439 O THR A 95 -5.479 16.551 -20.195 1.00 1.00 O +ATOM 1440 CB THR A 95 -8.706 15.578 -21.464 1.00 1.00 C +ATOM 1441 OG1 THR A 95 -9.326 16.271 -20.382 1.00 1.00 O +ATOM 1442 CG2 THR A 95 -8.531 14.151 -20.940 1.00 1.00 C +ATOM 1443 H THR A 95 -6.716 14.465 -22.386 1.00 1.00 H +ATOM 1444 HA THR A 95 -7.533 17.224 -22.208 1.00 1.00 H +ATOM 1445 HB THR A 95 -9.286 15.586 -22.385 1.00 1.00 H +ATOM 1446 HG1 THR A 95 -10.314 16.119 -20.401 1.00 1.00 H +ATOM 1447 HG21 THR A 95 -7.498 14.002 -20.629 1.00 1.00 H +ATOM 1448 HG22 THR A 95 -9.193 13.992 -20.089 1.00 1.00 H +ATOM 1449 HG23 THR A 95 -8.778 13.442 -21.731 1.00 1.00 H +ATOM 1450 N THR A 96 -7.511 17.145 -19.400 1.00 1.00 N +ATOM 1451 CA THR A 96 -7.007 17.546 -18.097 1.00 1.00 C +ATOM 1452 C THR A 96 -7.737 16.789 -16.986 1.00 1.00 C +ATOM 1453 O THR A 96 -8.945 16.944 -16.814 1.00 1.00 O +ATOM 1454 CB THR A 96 -7.142 19.066 -17.985 1.00 1.00 C +ATOM 1455 OG1 THR A 96 -8.521 19.273 -17.691 1.00 1.00 O +ATOM 1456 CG2 THR A 96 -6.937 19.773 -19.326 1.00 1.00 C +ATOM 1457 H THR A 96 -8.498 17.248 -19.520 1.00 1.00 H +ATOM 1458 HA THR A 96 -5.955 17.269 -18.034 1.00 1.00 H +ATOM 1459 HB THR A 96 -6.465 19.463 -17.229 1.00 1.00 H +ATOM 1460 HG1 THR A 96 -8.654 20.179 -17.291 1.00 1.00 H +ATOM 1461 HG21 THR A 96 -7.578 19.314 -20.080 1.00 1.00 H +ATOM 1462 HG22 THR A 96 -7.192 20.828 -19.225 1.00 1.00 H +ATOM 1463 HG23 THR A 96 -5.894 19.679 -19.631 1.00 1.00 H +ATOM 1464 N LEU A 97 -6.973 15.986 -16.260 1.00 1.00 N +ATOM 1465 CA LEU A 97 -7.532 15.203 -15.171 1.00 1.00 C +ATOM 1466 C LEU A 97 -8.394 16.109 -14.288 1.00 1.00 C +ATOM 1467 O LEU A 97 -7.898 17.078 -13.717 1.00 1.00 O +ATOM 1468 CB LEU A 97 -6.422 14.478 -14.408 1.00 1.00 C +ATOM 1469 CG LEU A 97 -5.281 13.914 -15.258 1.00 1.00 C +ATOM 1470 CD1 LEU A 97 -4.132 14.917 -15.369 1.00 1.00 C +ATOM 1471 CD2 LEU A 97 -4.812 12.561 -14.719 1.00 1.00 C +ATOM 1472 H LEU A 97 -5.991 15.865 -16.406 1.00 1.00 H +ATOM 1473 HA LEU A 97 -8.172 14.440 -15.612 1.00 1.00 H +ATOM 1474 HB2 LEU A 97 -5.997 15.169 -13.679 1.00 1.00 H +ATOM 1475 HB3 LEU A 97 -6.869 13.658 -13.847 1.00 1.00 H +ATOM 1476 HG LEU A 97 -5.659 13.745 -16.266 1.00 1.00 H +ATOM 1477 HD11 LEU A 97 -4.261 15.702 -14.625 1.00 1.00 H +ATOM 1478 HD12 LEU A 97 -3.185 14.405 -15.197 1.00 1.00 H +ATOM 1479 HD13 LEU A 97 -4.129 15.358 -16.366 1.00 1.00 H +ATOM 1480 HD21 LEU A 97 -4.618 12.644 -13.649 1.00 1.00 H +ATOM 1481 HD22 LEU A 97 -5.586 11.813 -14.891 1.00 1.00 H +ATOM 1482 HD23 LEU A 97 -3.897 12.263 -15.231 1.00 1.00 H +ATOM 1483 N HIS A 98 -9.669 15.760 -14.206 1.00 1.00 N +ATOM 1484 CA HIS A 98 -10.604 16.528 -13.402 1.00 1.00 C +ATOM 1485 C HIS A 98 -11.609 15.584 -12.739 1.00 1.00 C +ATOM 1486 O HIS A 98 -12.786 15.574 -13.096 1.00 1.00 O +ATOM 1487 CB HIS A 98 -11.277 17.614 -14.244 1.00 1.00 C +ATOM 1488 CG HIS A 98 -12.213 17.080 -15.302 1.00 1.00 C +ATOM 1489 ND1 HIS A 98 -11.821 16.869 -16.612 1.00 1.00 N +ATOM 1490 CD2 HIS A 98 -13.525 16.715 -15.229 1.00 1.00 C +ATOM 1491 CE1 HIS A 98 -12.859 16.399 -17.289 1.00 1.00 C +ATOM 1492 NE2 HIS A 98 -13.913 16.305 -16.430 1.00 1.00 N +ATOM 1493 H HIS A 98 -10.064 14.969 -14.673 1.00 1.00 H +ATOM 1494 HA HIS A 98 -10.018 17.023 -12.628 1.00 1.00 H +ATOM 1495 HB2 HIS A 98 -11.835 18.278 -13.583 1.00 1.00 H +ATOM 1496 HB3 HIS A 98 -10.507 18.216 -14.725 1.00 1.00 H +ATOM 1497 HD1 HIS A 98 -10.910 17.042 -16.984 1.00 1.00 H +ATOM 1498 HD2 HIS A 98 -14.149 16.753 -14.336 1.00 1.00 H +ATOM 1499 HE1 HIS A 98 -12.867 16.135 -18.346 1.00 1.00 H +ATOM 1500 N TYR A 99 -11.107 14.812 -11.786 1.00 1.00 N +ATOM 1501 CA TYR A 99 -11.946 13.866 -11.070 1.00 1.00 C +ATOM 1502 C TYR A 99 -11.319 13.483 -9.729 1.00 1.00 C +ATOM 1503 O TYR A 99 -11.165 12.301 -9.426 1.00 1.00 O +ATOM 1504 CB TYR A 99 -12.027 12.620 -11.955 1.00 1.00 C +ATOM 1505 CG TYR A 99 -11.614 11.327 -11.249 1.00 1.00 C +ATOM 1506 CD1 TYR A 99 -10.291 10.936 -11.242 1.00 1.00 C +ATOM 1507 CD2 TYR A 99 -12.566 10.552 -10.620 1.00 1.00 C +ATOM 1508 CE1 TYR A 99 -9.903 9.720 -10.579 1.00 1.00 C +ATOM 1509 CE2 TYR A 99 -12.178 9.335 -9.955 1.00 1.00 C +ATOM 1510 CZ TYR A 99 -10.866 8.978 -9.968 1.00 1.00 C +ATOM 1511 OH TYR A 99 -10.499 7.829 -9.340 1.00 1.00 O +ATOM 1512 H TYR A 99 -10.148 14.826 -11.503 1.00 1.00 H +ATOM 1513 HA TYR A 99 -12.910 14.341 -10.890 1.00 1.00 H +ATOM 1514 HB2 TYR A 99 -13.048 12.513 -12.321 1.00 1.00 H +ATOM 1515 HB3 TYR A 99 -11.390 12.765 -12.828 1.00 1.00 H +ATOM 1516 HD1 TYR A 99 -9.539 11.550 -11.740 1.00 1.00 H +ATOM 1517 HD2 TYR A 99 -13.612 10.860 -10.625 1.00 1.00 H +ATOM 1518 HE1 TYR A 99 -8.861 9.399 -10.565 1.00 1.00 H +ATOM 1519 HE2 TYR A 99 -12.920 8.712 -9.453 1.00 1.00 H +ATOM 1520 HH TYR A 99 -9.749 8.011 -8.704 1.00 1.00 H +ATOM 1521 N PRO A 100 -10.963 14.532 -8.940 1.00 1.00 N +ATOM 1522 CA PRO A 100 -10.356 14.318 -7.637 1.00 1.00 C +ATOM 1523 C PRO A 100 -11.397 13.858 -6.615 1.00 1.00 C +ATOM 1524 O PRO A 100 -11.556 14.477 -5.564 1.00 1.00 O +ATOM 1525 CB PRO A 100 -9.718 15.650 -7.277 1.00 1.00 C +ATOM 1526 CG PRO A 100 -10.384 16.687 -8.168 1.00 1.00 C +ATOM 1527 CD PRO A 100 -11.130 15.946 -9.265 1.00 1.00 C +ATOM 1528 HA PRO A 100 -9.679 13.584 -7.687 1.00 1.00 H +ATOM 1529 HB2 PRO A 100 -9.872 15.884 -6.224 1.00 1.00 H +ATOM 1530 HB3 PRO A 100 -8.641 15.625 -7.444 1.00 1.00 H +ATOM 1531 HG2 PRO A 100 -11.071 17.302 -7.588 1.00 1.00 H +ATOM 1532 HG3 PRO A 100 -9.639 17.356 -8.597 1.00 1.00 H +ATOM 1533 HD2 PRO A 100 -12.183 16.226 -9.287 1.00 1.00 H +ATOM 1534 HD3 PRO A 100 -10.719 16.177 -10.249 1.00 1.00 H +ATOM 1535 N ALA A 101 -12.081 12.776 -6.961 1.00 1.00 N +ATOM 1536 CA ALA A 101 -13.102 12.227 -6.086 1.00 1.00 C +ATOM 1537 C ALA A 101 -12.433 11.474 -4.936 1.00 1.00 C +ATOM 1538 O ALA A 101 -11.772 10.458 -5.155 1.00 1.00 O +ATOM 1539 CB ALA A 101 -14.043 11.334 -6.899 1.00 1.00 C +ATOM 1540 H ALA A 101 -11.946 12.279 -7.818 1.00 1.00 H +ATOM 1541 HA ALA A 101 -13.675 13.060 -5.679 1.00 1.00 H +ATOM 1542 HB1 ALA A 101 -14.491 11.916 -7.704 1.00 1.00 H +ATOM 1543 HB2 ALA A 101 -13.479 10.503 -7.322 1.00 1.00 H +ATOM 1544 HB3 ALA A 101 -14.828 10.948 -6.249 1.00 1.00 H +ATOM 1545 N PRO A 102 -12.629 12.013 -3.704 1.00 1.00 N +ATOM 1546 CA PRO A 102 -12.051 11.404 -2.518 1.00 1.00 C +ATOM 1547 C PRO A 102 -12.815 10.138 -2.125 1.00 1.00 C +ATOM 1548 O PRO A 102 -14.035 10.073 -2.276 1.00 1.00 O +ATOM 1549 CB PRO A 102 -12.104 12.486 -1.452 1.00 1.00 C +ATOM 1550 CG PRO A 102 -13.127 13.500 -1.940 1.00 1.00 C +ATOM 1551 CD PRO A 102 -13.404 13.214 -3.406 1.00 1.00 C +ATOM 1552 HA PRO A 102 -11.113 11.110 -2.701 1.00 1.00 H +ATOM 1553 HB2 PRO A 102 -12.395 12.070 -0.489 1.00 1.00 H +ATOM 1554 HB3 PRO A 102 -11.127 12.950 -1.318 1.00 1.00 H +ATOM 1555 HG2 PRO A 102 -14.044 13.428 -1.356 1.00 1.00 H +ATOM 1556 HG3 PRO A 102 -12.748 14.514 -1.813 1.00 1.00 H +ATOM 1557 HD2 PRO A 102 -14.467 13.054 -3.584 1.00 1.00 H +ATOM 1558 HD3 PRO A 102 -13.098 14.049 -4.037 1.00 1.00 H +ATOM 1559 N LYS A 103 -12.069 9.164 -1.625 1.00 1.00 N +ATOM 1560 CA LYS A 103 -12.661 7.904 -1.208 1.00 1.00 C +ATOM 1561 C LYS A 103 -13.563 8.148 0.005 1.00 1.00 C +ATOM 1562 O LYS A 103 -13.294 9.033 0.815 1.00 1.00 O +ATOM 1563 CB LYS A 103 -11.575 6.856 -0.967 1.00 1.00 C +ATOM 1564 CG LYS A 103 -11.342 6.008 -2.220 1.00 1.00 C +ATOM 1565 CD LYS A 103 -12.626 5.291 -2.643 1.00 1.00 C +ATOM 1566 CE LYS A 103 -12.313 3.933 -3.273 1.00 1.00 C +ATOM 1567 NZ LYS A 103 -13.289 2.914 -2.824 1.00 1.00 N +ATOM 1568 H LYS A 103 -11.078 9.225 -1.505 1.00 1.00 H +ATOM 1569 HA LYS A 103 -13.280 7.545 -2.031 1.00 1.00 H +ATOM 1570 HB2 LYS A 103 -10.647 7.346 -0.680 1.00 1.00 H +ATOM 1571 HB3 LYS A 103 -11.865 6.210 -0.137 1.00 1.00 H +ATOM 1572 HG2 LYS A 103 -10.993 6.644 -3.034 1.00 1.00 H +ATOM 1573 HG3 LYS A 103 -10.558 5.276 -2.028 1.00 1.00 H +ATOM 1574 HD2 LYS A 103 -13.273 5.153 -1.775 1.00 1.00 H +ATOM 1575 HD3 LYS A 103 -13.174 5.908 -3.355 1.00 1.00 H +ATOM 1576 HE2 LYS A 103 -12.338 4.015 -4.360 1.00 1.00 H +ATOM 1577 HE3 LYS A 103 -11.304 3.623 -3.001 1.00 1.00 H +ATOM 1578 HZ1 LYS A 103 -13.599 3.136 -1.899 1.00 1.00 H +ATOM 1579 HZ2 LYS A 103 -14.072 2.906 -3.445 1.00 1.00 H +ATOM 1580 HZ3 LYS A 103 -12.854 2.014 -2.822 1.00 1.00 H +ATOM 1581 N ARG A 104 -14.613 7.344 0.091 1.00 1.00 N +ATOM 1582 CA ARG A 104 -15.555 7.460 1.191 1.00 1.00 C +ATOM 1583 C ARG A 104 -15.296 6.367 2.229 1.00 1.00 C +ATOM 1584 O ARG A 104 -15.111 6.660 3.409 1.00 1.00 O +ATOM 1585 CB ARG A 104 -16.998 7.350 0.694 1.00 1.00 C +ATOM 1586 CG ARG A 104 -17.965 7.125 1.859 1.00 1.00 C +ATOM 1587 CD ARG A 104 -19.147 8.091 1.785 1.00 1.00 C +ATOM 1588 NE ARG A 104 -20.101 7.810 2.882 1.00 1.00 N +ATOM 1589 CZ ARG A 104 -19.865 8.081 4.171 1.00 1.00 C +ATOM 1590 NH1 ARG A 104 -18.705 8.645 4.536 1.00 1.00 N +ATOM 1591 NH2 ARG A 104 -20.789 7.791 5.098 1.00 1.00 N +ATOM 1592 H ARG A 104 -14.825 6.627 -0.573 1.00 1.00 H +ATOM 1593 HA ARG A 104 -15.375 8.451 1.609 1.00 1.00 H +ATOM 1594 HB2 ARG A 104 -17.274 8.259 0.158 1.00 1.00 H +ATOM 1595 HB3 ARG A 104 -17.081 6.526 -0.014 1.00 1.00 H +ATOM 1596 HG2 ARG A 104 -18.327 6.097 1.842 1.00 1.00 H +ATOM 1597 HG3 ARG A 104 -17.437 7.261 2.804 1.00 1.00 H +ATOM 1598 HD2 ARG A 104 -18.793 9.119 1.856 1.00 1.00 H +ATOM 1599 HD3 ARG A 104 -19.649 7.993 0.822 1.00 1.00 H +ATOM 1600 HE ARG A 104 -20.977 7.388 2.643 1.00 1.00 H +ATOM 1601 HH11 ARG A 104 -18.015 8.862 3.845 1.00 1.00 H +ATOM 1602 HH12 ARG A 104 -18.529 8.849 5.499 1.00 1.00 H +ATOM 1603 HH21 ARG A 104 -21.654 7.370 4.827 1.00 1.00 H +ATOM 1604 HH22 ARG A 104 -20.613 7.994 6.061 1.00 1.00 H +ATOM 1605 N GLY A 105 -15.290 5.132 1.753 1.00 1.00 N +ATOM 1606 CA GLY A 105 -15.056 3.993 2.624 1.00 1.00 C +ATOM 1607 C GLY A 105 -14.142 2.966 1.954 1.00 1.00 C +ATOM 1608 O GLY A 105 -14.619 1.983 1.386 1.00 1.00 O +ATOM 1609 H GLY A 105 -15.440 4.903 0.790 1.00 1.00 H +ATOM 1610 HA2 GLY A 105 -14.603 4.333 3.557 1.00 1.00 H +ATOM 1611 HA3 GLY A 105 -16.005 3.527 2.883 1.00 1.00 H +ATOM 1612 N ILE A 106 -12.847 3.228 2.038 1.00 1.00 N +ATOM 1613 CA ILE A 106 -11.862 2.338 1.445 1.00 1.00 C +ATOM 1614 C ILE A 106 -11.094 1.621 2.558 1.00 1.00 C +ATOM 1615 O ILE A 106 -10.506 2.264 3.426 1.00 1.00 O +ATOM 1616 CB ILE A 106 -10.964 3.104 0.472 1.00 1.00 C +ATOM 1617 CG1 ILE A 106 -10.341 2.160 -0.559 1.00 1.00 C +ATOM 1618 CG2 ILE A 106 -9.903 3.910 1.224 1.00 1.00 C +ATOM 1619 CD1 ILE A 106 -9.138 1.421 0.030 1.00 1.00 C +ATOM 1620 H ILE A 106 -12.467 4.029 2.501 1.00 1.00 H +ATOM 1621 HA ILE A 106 -12.405 1.592 0.865 1.00 1.00 H +ATOM 1622 HB ILE A 106 -11.582 3.816 -0.074 1.00 1.00 H +ATOM 1623 HG12 ILE A 106 -11.087 1.440 -0.893 1.00 1.00 H +ATOM 1624 HG13 ILE A 106 -10.032 2.729 -1.436 1.00 1.00 H +ATOM 1625 HG21 ILE A 106 -10.234 4.079 2.250 1.00 1.00 H +ATOM 1626 HG22 ILE A 106 -8.964 3.358 1.232 1.00 1.00 H +ATOM 1627 HG23 ILE A 106 -9.756 4.869 0.729 1.00 1.00 H +ATOM 1628 HD11 ILE A 106 -9.283 1.288 1.102 1.00 1.00 H +ATOM 1629 HD12 ILE A 106 -9.042 0.446 -0.448 1.00 1.00 H +ATOM 1630 HD13 ILE A 106 -8.234 2.003 -0.145 1.00 1.00 H +ATOM 1631 N HIS A 107 -11.124 0.297 2.495 1.00 1.00 N +ATOM 1632 CA HIS A 107 -10.437 -0.513 3.486 1.00 1.00 C +ATOM 1633 C HIS A 107 -9.114 0.154 3.869 1.00 1.00 C +ATOM 1634 O HIS A 107 -8.288 0.442 3.006 1.00 1.00 O +ATOM 1635 CB HIS A 107 -10.253 -1.946 2.982 1.00 1.00 C +ATOM 1636 CG HIS A 107 -9.882 -2.041 1.522 1.00 1.00 C +ATOM 1637 ND1 HIS A 107 -10.628 -2.762 0.604 1.00 1.00 N +ATOM 1638 CD2 HIS A 107 -8.838 -1.500 0.830 1.00 1.00 C +ATOM 1639 CE1 HIS A 107 -10.049 -2.651 -0.583 1.00 1.00 C +ATOM 1640 NE2 HIS A 107 -8.941 -1.870 -0.441 1.00 1.00 N +ATOM 1641 H HIS A 107 -11.604 -0.217 1.785 1.00 1.00 H +ATOM 1642 HA HIS A 107 -11.084 -0.550 4.362 1.00 1.00 H +ATOM 1643 HB2 HIS A 107 -9.479 -2.433 3.575 1.00 1.00 H +ATOM 1644 HB3 HIS A 107 -11.178 -2.500 3.148 1.00 1.00 H +ATOM 1645 HD1 HIS A 107 -11.460 -3.277 0.802 1.00 1.00 H +ATOM 1646 HD2 HIS A 107 -8.055 -0.870 1.250 1.00 1.00 H +ATOM 1647 HE1 HIS A 107 -10.397 -3.106 -1.510 1.00 1.00 H +ATOM 1648 N ARG A 108 -8.956 0.381 5.165 1.00 1.00 N +ATOM 1649 CA ARG A 108 -7.749 1.009 5.673 1.00 1.00 C +ATOM 1650 C ARG A 108 -7.432 0.491 7.078 1.00 1.00 C +ATOM 1651 O ARG A 108 -8.283 -0.116 7.727 1.00 1.00 O +ATOM 1652 CB ARG A 108 -7.897 2.530 5.719 1.00 1.00 C +ATOM 1653 CG ARG A 108 -7.226 3.184 4.510 1.00 1.00 C +ATOM 1654 CD ARG A 108 -5.710 3.254 4.695 1.00 1.00 C +ATOM 1655 NE ARG A 108 -5.376 4.188 5.794 1.00 1.00 N +ATOM 1656 CZ ARG A 108 -4.530 5.220 5.673 1.00 1.00 C +ATOM 1657 NH1 ARG A 108 -3.926 5.457 4.501 1.00 1.00 N +ATOM 1658 NH2 ARG A 108 -4.288 6.015 6.724 1.00 1.00 N +ATOM 1659 H ARG A 108 -9.634 0.143 5.861 1.00 1.00 H +ATOM 1660 HA ARG A 108 -6.969 0.725 4.965 1.00 1.00 H +ATOM 1661 HB2 ARG A 108 -8.955 2.796 5.741 1.00 1.00 H +ATOM 1662 HB3 ARG A 108 -7.454 2.915 6.638 1.00 1.00 H +ATOM 1663 HG2 ARG A 108 -7.460 2.617 3.609 1.00 1.00 H +ATOM 1664 HG3 ARG A 108 -7.625 4.189 4.367 1.00 1.00 H +ATOM 1665 HD2 ARG A 108 -5.316 2.263 4.919 1.00 1.00 H +ATOM 1666 HD3 ARG A 108 -5.236 3.584 3.771 1.00 1.00 H +ATOM 1667 HE ARG A 108 -5.809 4.039 6.683 1.00 1.00 H +ATOM 1668 HH11 ARG A 108 -4.107 4.863 3.717 1.00 1.00 H +ATOM 1669 HH12 ARG A 108 -3.295 6.227 4.410 1.00 1.00 H +ATOM 1670 HH21 ARG A 108 -4.739 5.838 7.599 1.00 1.00 H +ATOM 1671 HH22 ARG A 108 -3.656 6.785 6.633 1.00 1.00 H +ATOM 1672 N ASP A 109 -6.204 0.749 7.506 1.00 1.00 N +ATOM 1673 CA ASP A 109 -5.765 0.316 8.820 1.00 1.00 C +ATOM 1674 C ASP A 109 -6.291 -1.094 9.092 1.00 1.00 C +ATOM 1675 O ASP A 109 -6.598 -1.786 8.097 1.00 1.00 O +ATOM 1676 CB ASP A 109 -6.304 1.240 9.913 1.00 1.00 C +ATOM 1677 CG ASP A 109 -7.821 1.446 9.896 1.00 1.00 C +ATOM 1678 OD1 ASP A 109 -8.502 0.533 10.502 1.00 1.00 O +ATOM 1679 OD2 ASP A 109 -8.326 2.428 9.333 1.00 1.00 O +ATOM 1680 OXT ASP A 109 -6.400 -1.509 10.245 1.00 1.00 O +ATOM 1681 H ASP A 109 -5.519 1.243 6.972 1.00 1.00 H +ATOM 1682 HA ASP A 109 -4.676 0.356 8.786 1.00 1.00 H +ATOM 1683 HB2 ASP A 109 -6.019 0.837 10.885 1.00 1.00 H +ATOM 1684 HB3 ASP A 109 -5.821 2.212 9.819 1.00 1.00 H +TER 1685 ASP A 109 +ENDMDL +MODEL 10 +ATOM 1 N GLY A 1 6.225 -4.665 3.471 1.00 1.00 N +ATOM 2 CA GLY A 1 6.908 -3.455 3.896 1.00 1.00 C +ATOM 3 C GLY A 1 8.040 -3.097 2.933 1.00 1.00 C +ATOM 4 O GLY A 1 9.205 -3.394 3.200 1.00 1.00 O +ATOM 5 H1 GLY A 1 6.356 -4.796 2.474 1.00 1.00 H +ATOM 6 H2 GLY A 1 6.607 -5.461 3.969 1.00 1.00 H +ATOM 7 H3 GLY A 1 5.235 -4.584 3.675 1.00 1.00 H +ATOM 8 HA2 GLY A 1 6.195 -2.631 3.947 1.00 1.00 H +ATOM 9 HA3 GLY A 1 7.309 -3.593 4.901 1.00 1.00 H +ATOM 10 N SER A 2 7.662 -2.468 1.831 1.00 1.00 N +ATOM 11 CA SER A 2 8.632 -2.066 0.826 1.00 1.00 C +ATOM 12 C SER A 2 7.937 -1.280 -0.288 1.00 1.00 C +ATOM 13 O SER A 2 7.665 -1.820 -1.358 1.00 1.00 O +ATOM 14 CB SER A 2 9.356 -3.282 0.244 1.00 1.00 C +ATOM 15 OG SER A 2 10.721 -3.334 0.647 1.00 1.00 O +ATOM 16 H SER A 2 6.713 -2.230 1.621 1.00 1.00 H +ATOM 17 HA SER A 2 9.348 -1.435 1.352 1.00 1.00 H +ATOM 18 HB2 SER A 2 8.850 -4.193 0.564 1.00 1.00 H +ATOM 19 HB3 SER A 2 9.300 -3.251 -0.844 1.00 1.00 H +ATOM 20 HG SER A 2 10.972 -4.270 0.891 1.00 1.00 H +ATOM 21 N GLY A 3 7.672 -0.015 0.002 1.00 1.00 N +ATOM 22 CA GLY A 3 7.015 0.853 -0.961 1.00 1.00 C +ATOM 23 C GLY A 3 5.686 0.250 -1.422 1.00 1.00 C +ATOM 24 O GLY A 3 5.433 -0.936 -1.218 1.00 1.00 O +ATOM 25 H GLY A 3 7.898 0.418 0.876 1.00 1.00 H +ATOM 26 HA2 GLY A 3 6.839 1.832 -0.513 1.00 1.00 H +ATOM 27 HA3 GLY A 3 7.667 1.007 -1.821 1.00 1.00 H +ATOM 28 N ASN A 4 4.873 1.096 -2.038 1.00 1.00 N +ATOM 29 CA ASN A 4 3.577 0.662 -2.532 1.00 1.00 C +ATOM 30 C ASN A 4 2.814 1.871 -3.078 1.00 1.00 C +ATOM 31 O ASN A 4 3.253 3.009 -2.923 1.00 1.00 O +ATOM 32 CB ASN A 4 2.740 0.042 -1.411 1.00 1.00 C +ATOM 33 CG ASN A 4 2.286 -1.371 -1.783 1.00 1.00 C +ATOM 34 OD1 ASN A 4 1.154 -1.605 -2.173 1.00 1.00 O +ATOM 35 ND2 ASN A 4 3.230 -2.297 -1.639 1.00 1.00 N +ATOM 36 H ASN A 4 5.086 2.059 -2.202 1.00 1.00 H +ATOM 37 HA ASN A 4 3.796 -0.076 -3.303 1.00 1.00 H +ATOM 38 HB2 ASN A 4 3.324 0.009 -0.492 1.00 1.00 H +ATOM 39 HB3 ASN A 4 1.869 0.667 -1.213 1.00 1.00 H +ATOM 40 HD21 ASN A 4 4.139 -2.039 -1.313 1.00 1.00 H +ATOM 41 HD22 ASN A 4 3.029 -3.253 -1.857 1.00 1.00 H +ATOM 42 N SER A 5 1.684 1.581 -3.707 1.00 1.00 N +ATOM 43 CA SER A 5 0.855 2.631 -4.278 1.00 1.00 C +ATOM 44 C SER A 5 0.172 3.421 -3.163 1.00 1.00 C +ATOM 45 O SER A 5 0.348 4.635 -3.060 1.00 1.00 O +ATOM 46 CB SER A 5 -0.189 2.049 -5.233 1.00 1.00 C +ATOM 47 OG SER A 5 -1.049 3.055 -5.761 1.00 1.00 O +ATOM 48 H SER A 5 1.334 0.652 -3.829 1.00 1.00 H +ATOM 49 HA SER A 5 1.541 3.267 -4.835 1.00 1.00 H +ATOM 50 HB2 SER A 5 0.314 1.535 -6.052 1.00 1.00 H +ATOM 51 HB3 SER A 5 -0.785 1.302 -4.707 1.00 1.00 H +ATOM 52 HG SER A 5 -2.003 2.771 -5.671 1.00 1.00 H +ATOM 53 N LEU A 6 -0.593 2.705 -2.353 1.00 1.00 N +ATOM 54 CA LEU A 6 -1.303 3.325 -1.249 1.00 1.00 C +ATOM 55 C LEU A 6 -2.403 4.235 -1.801 1.00 1.00 C +ATOM 56 O LEU A 6 -2.365 4.621 -2.968 1.00 1.00 O +ATOM 57 CB LEU A 6 -0.324 4.041 -0.317 1.00 1.00 C +ATOM 58 CG LEU A 6 0.068 3.285 0.955 1.00 1.00 C +ATOM 59 CD1 LEU A 6 -1.164 2.961 1.802 1.00 1.00 C +ATOM 60 CD2 LEU A 6 0.878 2.032 0.618 1.00 1.00 C +ATOM 61 H LEU A 6 -0.730 1.718 -2.443 1.00 1.00 H +ATOM 62 HA LEU A 6 -1.773 2.527 -0.672 1.00 1.00 H +ATOM 63 HB2 LEU A 6 0.584 4.265 -0.877 1.00 1.00 H +ATOM 64 HB3 LEU A 6 -0.762 4.997 -0.026 1.00 1.00 H +ATOM 65 HG LEU A 6 0.710 3.932 1.553 1.00 1.00 H +ATOM 66 HD11 LEU A 6 -2.022 3.517 1.423 1.00 1.00 H +ATOM 67 HD12 LEU A 6 -1.371 1.892 1.748 1.00 1.00 H +ATOM 68 HD13 LEU A 6 -0.976 3.243 2.838 1.00 1.00 H +ATOM 69 HD21 LEU A 6 1.681 2.292 -0.072 1.00 1.00 H +ATOM 70 HD22 LEU A 6 1.305 1.618 1.532 1.00 1.00 H +ATOM 71 HD23 LEU A 6 0.227 1.292 0.153 1.00 1.00 H +ATOM 72 N GLU A 7 -3.358 4.548 -0.938 1.00 1.00 N +ATOM 73 CA GLU A 7 -4.464 5.405 -1.325 1.00 1.00 C +ATOM 74 C GLU A 7 -4.009 6.865 -1.395 1.00 1.00 C +ATOM 75 O GLU A 7 -4.486 7.703 -0.632 1.00 1.00 O +ATOM 76 CB GLU A 7 -5.644 5.244 -0.363 1.00 1.00 C +ATOM 77 CG GLU A 7 -6.858 4.650 -1.080 1.00 1.00 C +ATOM 78 CD GLU A 7 -7.444 3.480 -0.288 1.00 1.00 C +ATOM 79 OE1 GLU A 7 -8.308 3.688 0.579 1.00 1.00 O +ATOM 80 OE2 GLU A 7 -6.973 2.320 -0.598 1.00 1.00 O +ATOM 81 H GLU A 7 -3.381 4.229 0.011 1.00 1.00 H +ATOM 82 HA GLU A 7 -4.763 5.063 -2.316 1.00 1.00 H +ATOM 83 HB2 GLU A 7 -5.355 4.600 0.467 1.00 1.00 H +ATOM 84 HB3 GLU A 7 -5.906 6.213 0.062 1.00 1.00 H +ATOM 85 HG2 GLU A 7 -7.618 5.420 -1.214 1.00 1.00 H +ATOM 86 HG3 GLU A 7 -6.569 4.311 -2.074 1.00 1.00 H +ATOM 87 N LYS A 8 -3.092 7.120 -2.316 1.00 1.00 N +ATOM 88 CA LYS A 8 -2.567 8.464 -2.494 1.00 1.00 C +ATOM 89 C LYS A 8 -3.717 9.416 -2.830 1.00 1.00 C +ATOM 90 O LYS A 8 -4.598 9.646 -2.003 1.00 1.00 O +ATOM 91 CB LYS A 8 -1.443 8.465 -3.534 1.00 1.00 C +ATOM 92 CG LYS A 8 -0.370 9.497 -3.179 1.00 1.00 C +ATOM 93 CD LYS A 8 -0.322 10.618 -4.219 1.00 1.00 C +ATOM 94 CE LYS A 8 1.109 10.850 -4.709 1.00 1.00 C +ATOM 95 NZ LYS A 8 1.650 12.109 -4.151 1.00 1.00 N +ATOM 96 H LYS A 8 -2.710 6.431 -2.932 1.00 1.00 H +ATOM 97 HA LYS A 8 -2.129 8.772 -1.546 1.00 1.00 H +ATOM 98 HB2 LYS A 8 -0.995 7.474 -3.593 1.00 1.00 H +ATOM 99 HB3 LYS A 8 -1.855 8.687 -4.518 1.00 1.00 H +ATOM 100 HG2 LYS A 8 -0.576 9.917 -2.195 1.00 1.00 H +ATOM 101 HG3 LYS A 8 0.602 9.007 -3.121 1.00 1.00 H +ATOM 102 HD2 LYS A 8 -0.964 10.363 -5.063 1.00 1.00 H +ATOM 103 HD3 LYS A 8 -0.716 11.537 -3.785 1.00 1.00 H +ATOM 104 HE2 LYS A 8 1.740 10.012 -4.415 1.00 1.00 H +ATOM 105 HE3 LYS A 8 1.123 10.892 -5.799 1.00 1.00 H +ATOM 106 HZ1 LYS A 8 0.977 12.513 -3.518 1.00 1.00 H +ATOM 107 HZ2 LYS A 8 2.507 11.914 -3.653 1.00 1.00 H +ATOM 108 HZ3 LYS A 8 1.853 12.789 -4.875 1.00 1.00 H +ATOM 109 N HIS A 9 -3.671 9.944 -4.044 1.00 1.00 N +ATOM 110 CA HIS A 9 -4.698 10.866 -4.500 1.00 1.00 C +ATOM 111 C HIS A 9 -6.016 10.113 -4.688 1.00 1.00 C +ATOM 112 O HIS A 9 -6.071 8.895 -4.516 1.00 1.00 O +ATOM 113 CB HIS A 9 -4.248 11.598 -5.764 1.00 1.00 C +ATOM 114 CG HIS A 9 -3.262 12.714 -5.509 1.00 1.00 C +ATOM 115 ND1 HIS A 9 -2.511 12.801 -4.350 1.00 1.00 N +ATOM 116 CD2 HIS A 9 -2.910 13.785 -6.277 1.00 1.00 C +ATOM 117 CE1 HIS A 9 -1.747 13.880 -4.426 1.00 1.00 C +ATOM 118 NE2 HIS A 9 -1.995 14.489 -5.621 1.00 1.00 N +ATOM 119 H HIS A 9 -2.951 9.750 -4.712 1.00 1.00 H +ATOM 120 HA HIS A 9 -4.823 11.608 -3.711 1.00 1.00 H +ATOM 121 HB2 HIS A 9 -3.799 10.879 -6.449 1.00 1.00 H +ATOM 122 HB3 HIS A 9 -5.124 12.010 -6.264 1.00 1.00 H +ATOM 123 HD1 HIS A 9 -2.541 12.158 -3.585 1.00 1.00 H +ATOM 124 HD2 HIS A 9 -3.312 14.023 -7.262 1.00 1.00 H +ATOM 125 HE1 HIS A 9 -1.042 14.222 -3.668 1.00 1.00 H +ATOM 126 N SER A 10 -7.047 10.867 -5.039 1.00 1.00 N +ATOM 127 CA SER A 10 -8.361 10.287 -5.253 1.00 1.00 C +ATOM 128 C SER A 10 -8.411 9.589 -6.613 1.00 1.00 C +ATOM 129 O SER A 10 -9.453 9.076 -7.014 1.00 1.00 O +ATOM 130 CB SER A 10 -9.456 11.353 -5.164 1.00 1.00 C +ATOM 131 OG SER A 10 -10.653 10.843 -4.583 1.00 1.00 O +ATOM 132 H SER A 10 -6.994 11.857 -5.178 1.00 1.00 H +ATOM 133 HA SER A 10 -8.492 9.565 -4.447 1.00 1.00 H +ATOM 134 HB2 SER A 10 -9.095 12.194 -4.571 1.00 1.00 H +ATOM 135 HB3 SER A 10 -9.671 11.736 -6.161 1.00 1.00 H +ATOM 136 HG SER A 10 -10.518 10.688 -3.605 1.00 1.00 H +ATOM 137 N TRP A 11 -7.269 9.593 -7.285 1.00 1.00 N +ATOM 138 CA TRP A 11 -7.169 8.965 -8.593 1.00 1.00 C +ATOM 139 C TRP A 11 -6.057 7.915 -8.530 1.00 1.00 C +ATOM 140 O TRP A 11 -5.854 7.164 -9.482 1.00 1.00 O +ATOM 141 CB TRP A 11 -6.941 10.012 -9.686 1.00 1.00 C +ATOM 142 CG TRP A 11 -5.878 11.056 -9.337 1.00 1.00 C +ATOM 143 CD1 TRP A 11 -6.059 12.353 -9.051 1.00 1.00 C +ATOM 144 CD2 TRP A 11 -4.455 10.838 -9.246 1.00 1.00 C +ATOM 145 NE1 TRP A 11 -4.861 12.984 -8.786 1.00 1.00 N +ATOM 146 CE2 TRP A 11 -3.854 12.033 -8.908 1.00 1.00 C +ATOM 147 CE3 TRP A 11 -3.699 9.668 -9.445 1.00 1.00 C +ATOM 148 CZ2 TRP A 11 -2.472 12.175 -8.737 1.00 1.00 C +ATOM 149 CZ3 TRP A 11 -2.319 9.827 -9.272 1.00 1.00 C +ATOM 150 CH2 TRP A 11 -1.700 11.024 -8.930 1.00 1.00 C +ATOM 151 H TRP A 11 -6.425 10.013 -6.953 1.00 1.00 H +ATOM 152 HA TRP A 11 -8.123 8.486 -8.807 1.00 1.00 H +ATOM 153 HB2 TRP A 11 -6.647 9.503 -10.605 1.00 1.00 H +ATOM 154 HB3 TRP A 11 -7.883 10.520 -9.889 1.00 1.00 H +ATOM 155 HD1 TRP A 11 -7.030 12.847 -9.033 1.00 1.00 H +ATOM 156 HE1 TRP A 11 -4.728 14.035 -8.526 1.00 1.00 H +ATOM 157 HE3 TRP A 11 -4.149 8.713 -9.713 1.00 1.00 H +ATOM 158 HZ2 TRP A 11 -2.022 13.131 -8.469 1.00 1.00 H +ATOM 159 HZ3 TRP A 11 -1.687 8.951 -9.413 1.00 1.00 H +ATOM 160 HH2 TRP A 11 -0.617 11.066 -8.812 1.00 1.00 H +ATOM 161 N TYR A 12 -5.369 7.898 -7.397 1.00 1.00 N +ATOM 162 CA TYR A 12 -4.284 6.951 -7.197 1.00 1.00 C +ATOM 163 C TYR A 12 -4.627 5.948 -6.094 1.00 1.00 C +ATOM 164 O TYR A 12 -4.538 6.268 -4.910 1.00 1.00 O +ATOM 165 CB TYR A 12 -3.077 7.782 -6.758 1.00 1.00 C +ATOM 166 CG TYR A 12 -1.748 7.024 -6.809 1.00 1.00 C +ATOM 167 CD1 TYR A 12 -1.716 5.716 -7.252 1.00 1.00 C +ATOM 168 CD2 TYR A 12 -0.583 7.647 -6.413 1.00 1.00 C +ATOM 169 CE1 TYR A 12 -0.465 5.003 -7.302 1.00 1.00 C +ATOM 170 CE2 TYR A 12 0.667 6.934 -6.463 1.00 1.00 C +ATOM 171 CZ TYR A 12 0.665 5.647 -6.905 1.00 1.00 C +ATOM 172 OH TYR A 12 1.846 4.973 -6.951 1.00 1.00 O +ATOM 173 H TYR A 12 -5.541 8.511 -6.627 1.00 1.00 H +ATOM 174 HA TYR A 12 -4.130 6.413 -8.133 1.00 1.00 H +ATOM 175 HB2 TYR A 12 -3.004 8.664 -7.393 1.00 1.00 H +ATOM 176 HB3 TYR A 12 -3.241 8.134 -5.740 1.00 1.00 H +ATOM 177 HD1 TYR A 12 -2.637 5.224 -7.566 1.00 1.00 H +ATOM 178 HD2 TYR A 12 -0.608 8.678 -6.064 1.00 1.00 H +ATOM 179 HE1 TYR A 12 -0.426 3.971 -7.649 1.00 1.00 H +ATOM 180 HE2 TYR A 12 1.596 7.413 -6.153 1.00 1.00 H +ATOM 181 HH TYR A 12 2.336 5.202 -7.791 1.00 1.00 H +ATOM 182 N HIS A 13 -5.014 4.755 -6.522 1.00 1.00 N +ATOM 183 CA HIS A 13 -5.370 3.704 -5.586 1.00 1.00 C +ATOM 184 C HIS A 13 -4.399 2.532 -5.735 1.00 1.00 C +ATOM 185 O HIS A 13 -3.648 2.222 -4.811 1.00 1.00 O +ATOM 186 CB HIS A 13 -6.833 3.288 -5.767 1.00 1.00 C +ATOM 187 CG HIS A 13 -7.602 4.156 -6.734 1.00 1.00 C +ATOM 188 ND1 HIS A 13 -8.521 3.643 -7.633 1.00 1.00 N +ATOM 189 CD2 HIS A 13 -7.581 5.506 -6.933 1.00 1.00 C +ATOM 190 CE1 HIS A 13 -9.024 4.647 -8.337 1.00 1.00 C +ATOM 191 NE2 HIS A 13 -8.438 5.800 -7.901 1.00 1.00 N +ATOM 192 H HIS A 13 -5.083 4.503 -7.488 1.00 1.00 H +ATOM 193 HA HIS A 13 -5.266 4.126 -4.586 1.00 1.00 H +ATOM 194 HB2 HIS A 13 -6.866 2.256 -6.115 1.00 1.00 H +ATOM 195 HB3 HIS A 13 -7.330 3.314 -4.797 1.00 1.00 H +ATOM 196 HD1 HIS A 13 -8.764 2.679 -7.734 1.00 1.00 H +ATOM 197 HD2 HIS A 13 -6.964 6.220 -6.387 1.00 1.00 H +ATOM 198 HE1 HIS A 13 -9.771 4.567 -9.125 1.00 1.00 H +ATOM 199 N GLY A 14 -4.445 1.911 -6.905 1.00 1.00 N +ATOM 200 CA GLY A 14 -3.578 0.779 -7.187 1.00 1.00 C +ATOM 201 C GLY A 14 -3.841 0.223 -8.588 1.00 1.00 C +ATOM 202 O GLY A 14 -4.267 0.956 -9.480 1.00 1.00 O +ATOM 203 H GLY A 14 -5.060 2.169 -7.650 1.00 1.00 H +ATOM 204 HA2 GLY A 14 -2.535 1.087 -7.104 1.00 1.00 H +ATOM 205 HA3 GLY A 14 -3.740 -0.002 -6.445 1.00 1.00 H +ATOM 206 N PRO A 15 -3.571 -1.100 -8.740 1.00 1.00 N +ATOM 207 CA PRO A 15 -3.773 -1.764 -10.017 1.00 1.00 C +ATOM 208 C PRO A 15 -5.261 -2.002 -10.280 1.00 1.00 C +ATOM 209 O PRO A 15 -5.949 -2.621 -9.469 1.00 1.00 O +ATOM 210 CB PRO A 15 -2.973 -3.054 -9.922 1.00 1.00 C +ATOM 211 CG PRO A 15 -2.733 -3.286 -8.439 1.00 1.00 C +ATOM 212 CD PRO A 15 -3.066 -1.998 -7.705 1.00 1.00 C +ATOM 213 HA PRO A 15 -3.453 -1.182 -10.765 1.00 1.00 H +ATOM 214 HB2 PRO A 15 -3.520 -3.885 -10.366 1.00 1.00 H +ATOM 215 HB3 PRO A 15 -2.030 -2.968 -10.462 1.00 1.00 H +ATOM 216 HG2 PRO A 15 -3.354 -4.105 -8.076 1.00 1.00 H +ATOM 217 HG3 PRO A 15 -1.696 -3.571 -8.261 1.00 1.00 H +ATOM 218 HD2 PRO A 15 -3.813 -2.167 -6.930 1.00 1.00 H +ATOM 219 HD3 PRO A 15 -2.186 -1.583 -7.214 1.00 1.00 H +ATOM 220 N VAL A 16 -5.716 -1.498 -11.419 1.00 1.00 N +ATOM 221 CA VAL A 16 -7.110 -1.648 -11.800 1.00 1.00 C +ATOM 222 C VAL A 16 -7.201 -1.856 -13.313 1.00 1.00 C +ATOM 223 O VAL A 16 -6.511 -1.183 -14.079 1.00 1.00 O +ATOM 224 CB VAL A 16 -7.919 -0.445 -11.312 1.00 1.00 C +ATOM 225 CG1 VAL A 16 -7.310 0.864 -11.816 1.00 1.00 C +ATOM 226 CG2 VAL A 16 -9.385 -0.565 -11.729 1.00 1.00 C +ATOM 227 H VAL A 16 -5.150 -0.996 -12.074 1.00 1.00 H +ATOM 228 HA VAL A 16 -7.494 -2.538 -11.300 1.00 1.00 H +ATOM 229 HB VAL A 16 -7.880 -0.435 -10.222 1.00 1.00 H +ATOM 230 HG11 VAL A 16 -6.244 0.724 -12.000 1.00 1.00 H +ATOM 231 HG12 VAL A 16 -7.802 1.162 -12.742 1.00 1.00 H +ATOM 232 HG13 VAL A 16 -7.449 1.643 -11.066 1.00 1.00 H +ATOM 233 HG21 VAL A 16 -9.446 -1.014 -12.721 1.00 1.00 H +ATOM 234 HG22 VAL A 16 -9.917 -1.192 -11.013 1.00 1.00 H +ATOM 235 HG23 VAL A 16 -9.838 0.427 -11.752 1.00 1.00 H +ATOM 236 N SER A 17 -8.056 -2.791 -13.700 1.00 1.00 N +ATOM 237 CA SER A 17 -8.247 -3.096 -15.109 1.00 1.00 C +ATOM 238 C SER A 17 -9.093 -2.005 -15.769 1.00 1.00 C +ATOM 239 O SER A 17 -10.002 -1.459 -15.148 1.00 1.00 O +ATOM 240 CB SER A 17 -8.907 -4.464 -15.291 1.00 1.00 C +ATOM 241 OG SER A 17 -8.564 -5.058 -16.539 1.00 1.00 O +ATOM 242 H SER A 17 -8.613 -3.334 -13.071 1.00 1.00 H +ATOM 243 HA SER A 17 -7.245 -3.116 -15.536 1.00 1.00 H +ATOM 244 HB2 SER A 17 -8.602 -5.125 -14.479 1.00 1.00 H +ATOM 245 HB3 SER A 17 -9.989 -4.356 -15.226 1.00 1.00 H +ATOM 246 HG SER A 17 -8.280 -6.007 -16.401 1.00 1.00 H +ATOM 247 N ARG A 18 -8.762 -1.722 -17.021 1.00 1.00 N +ATOM 248 CA ARG A 18 -9.480 -0.708 -17.773 1.00 1.00 C +ATOM 249 C ARG A 18 -10.969 -1.054 -17.845 1.00 1.00 C +ATOM 250 O ARG A 18 -11.816 -0.163 -17.863 1.00 1.00 O +ATOM 251 CB ARG A 18 -8.924 -0.579 -19.193 1.00 1.00 C +ATOM 252 CG ARG A 18 -9.890 -1.179 -20.216 1.00 1.00 C +ATOM 253 CD ARG A 18 -9.297 -1.130 -21.626 1.00 1.00 C +ATOM 254 NE ARG A 18 -9.355 -2.472 -22.247 1.00 1.00 N +ATOM 255 CZ ARG A 18 -8.510 -3.470 -21.958 1.00 1.00 C +ATOM 256 NH1 ARG A 18 -7.537 -3.286 -21.055 1.00 1.00 N +ATOM 257 NH2 ARG A 18 -8.638 -4.656 -22.571 1.00 1.00 N +ATOM 258 H ARG A 18 -8.019 -2.172 -17.519 1.00 1.00 H +ATOM 259 HA ARG A 18 -9.319 0.216 -17.219 1.00 1.00 H +ATOM 260 HB2 ARG A 18 -8.750 0.471 -19.425 1.00 1.00 H +ATOM 261 HB3 ARG A 18 -7.960 -1.083 -19.258 1.00 1.00 H +ATOM 262 HG2 ARG A 18 -10.114 -2.213 -19.948 1.00 1.00 H +ATOM 263 HG3 ARG A 18 -10.834 -0.634 -20.195 1.00 1.00 H +ATOM 264 HD2 ARG A 18 -9.847 -0.414 -22.236 1.00 1.00 H +ATOM 265 HD3 ARG A 18 -8.264 -0.785 -21.582 1.00 1.00 H +ATOM 266 HE ARG A 18 -10.069 -2.643 -22.926 1.00 1.00 H +ATOM 267 HH11 ARG A 18 -7.441 -2.401 -20.597 1.00 1.00 H +ATOM 268 HH12 ARG A 18 -6.907 -4.031 -20.839 1.00 1.00 H +ATOM 269 HH21 ARG A 18 -9.364 -4.793 -23.246 1.00 1.00 H +ATOM 270 HH22 ARG A 18 -8.008 -5.402 -22.356 1.00 1.00 H +ATOM 271 N ASN A 19 -11.240 -2.350 -17.883 1.00 1.00 N +ATOM 272 CA ASN A 19 -12.611 -2.825 -17.952 1.00 1.00 C +ATOM 273 C ASN A 19 -13.449 -2.110 -16.891 1.00 1.00 C +ATOM 274 O ASN A 19 -14.577 -1.698 -17.157 1.00 1.00 O +ATOM 275 CB ASN A 19 -12.688 -4.329 -17.681 1.00 1.00 C +ATOM 276 CG ASN A 19 -13.074 -5.096 -18.949 1.00 1.00 C +ATOM 277 OD1 ASN A 19 -14.149 -5.664 -19.058 1.00 1.00 O +ATOM 278 ND2 ASN A 19 -12.140 -5.082 -19.894 1.00 1.00 N +ATOM 279 H ASN A 19 -10.545 -3.068 -17.869 1.00 1.00 H +ATOM 280 HA ASN A 19 -12.942 -2.599 -18.967 1.00 1.00 H +ATOM 281 HB2 ASN A 19 -11.726 -4.685 -17.314 1.00 1.00 H +ATOM 282 HB3 ASN A 19 -13.420 -4.524 -16.897 1.00 1.00 H +ATOM 283 HD21 ASN A 19 -11.280 -4.597 -19.740 1.00 1.00 H +ATOM 284 HD22 ASN A 19 -12.299 -5.556 -20.761 1.00 1.00 H +ATOM 285 N ALA A 20 -12.864 -1.984 -15.708 1.00 1.00 N +ATOM 286 CA ALA A 20 -13.542 -1.326 -14.605 1.00 1.00 C +ATOM 287 C ALA A 20 -13.536 0.188 -14.837 1.00 1.00 C +ATOM 288 O ALA A 20 -14.420 0.896 -14.358 1.00 1.00 O +ATOM 289 CB ALA A 20 -12.871 -1.717 -13.287 1.00 1.00 C +ATOM 290 H ALA A 20 -11.946 -2.322 -15.499 1.00 1.00 H +ATOM 291 HA ALA A 20 -14.574 -1.678 -14.591 1.00 1.00 H +ATOM 292 HB1 ALA A 20 -12.472 -2.727 -13.369 1.00 1.00 H +ATOM 293 HB2 ALA A 20 -12.059 -1.022 -13.073 1.00 1.00 H +ATOM 294 HB3 ALA A 20 -13.603 -1.677 -12.481 1.00 1.00 H +ATOM 295 N ALA A 21 -12.529 0.636 -15.572 1.00 1.00 N +ATOM 296 CA ALA A 21 -12.395 2.052 -15.874 1.00 1.00 C +ATOM 297 C ALA A 21 -13.659 2.538 -16.585 1.00 1.00 C +ATOM 298 O ALA A 21 -14.336 3.445 -16.104 1.00 1.00 O +ATOM 299 CB ALA A 21 -11.133 2.279 -16.707 1.00 1.00 C +ATOM 300 H ALA A 21 -11.814 0.051 -15.957 1.00 1.00 H +ATOM 301 HA ALA A 21 -12.292 2.584 -14.928 1.00 1.00 H +ATOM 302 HB1 ALA A 21 -10.323 1.663 -16.315 1.00 1.00 H +ATOM 303 HB2 ALA A 21 -11.327 2.005 -17.744 1.00 1.00 H +ATOM 304 HB3 ALA A 21 -10.847 3.329 -16.656 1.00 1.00 H +ATOM 305 N GLU A 22 -13.938 1.913 -17.720 1.00 1.00 N +ATOM 306 CA GLU A 22 -15.109 2.273 -18.503 1.00 1.00 C +ATOM 307 C GLU A 22 -16.387 1.908 -17.743 1.00 1.00 C +ATOM 308 O GLU A 22 -17.316 2.711 -17.665 1.00 1.00 O +ATOM 309 CB GLU A 22 -15.077 1.601 -19.876 1.00 1.00 C +ATOM 310 CG GLU A 22 -13.842 0.709 -20.022 1.00 1.00 C +ATOM 311 CD GLU A 22 -13.752 0.122 -21.432 1.00 1.00 C +ATOM 312 OE1 GLU A 22 -14.830 -0.164 -21.998 1.00 1.00 O +ATOM 313 OE2 GLU A 22 -12.608 -0.026 -21.913 1.00 1.00 O +ATOM 314 H GLU A 22 -13.382 1.178 -18.104 1.00 1.00 H +ATOM 315 HA GLU A 22 -15.051 3.353 -18.633 1.00 1.00 H +ATOM 316 HB2 GLU A 22 -15.979 1.003 -20.015 1.00 1.00 H +ATOM 317 HB3 GLU A 22 -15.075 2.360 -20.657 1.00 1.00 H +ATOM 318 HG2 GLU A 22 -12.944 1.287 -19.807 1.00 1.00 H +ATOM 319 HG3 GLU A 22 -13.884 -0.099 -19.290 1.00 1.00 H +ATOM 320 N TYR A 23 -16.392 0.698 -17.203 1.00 1.00 N +ATOM 321 CA TYR A 23 -17.541 0.219 -16.453 1.00 1.00 C +ATOM 322 C TYR A 23 -17.815 1.112 -15.242 1.00 1.00 C +ATOM 323 O TYR A 23 -18.859 1.759 -15.167 1.00 1.00 O +ATOM 324 CB TYR A 23 -17.170 -1.183 -15.965 1.00 1.00 C +ATOM 325 CG TYR A 23 -18.295 -1.899 -15.217 1.00 1.00 C +ATOM 326 CD1 TYR A 23 -19.258 -2.595 -15.920 1.00 1.00 C +ATOM 327 CD2 TYR A 23 -18.348 -1.849 -13.839 1.00 1.00 C +ATOM 328 CE1 TYR A 23 -20.318 -3.268 -15.215 1.00 1.00 C +ATOM 329 CE2 TYR A 23 -19.408 -2.524 -13.134 1.00 1.00 C +ATOM 330 CZ TYR A 23 -20.339 -3.200 -13.858 1.00 1.00 C +ATOM 331 OH TYR A 23 -21.341 -3.836 -13.192 1.00 1.00 O +ATOM 332 H TYR A 23 -15.631 0.054 -17.272 1.00 1.00 H +ATOM 333 HA TYR A 23 -18.406 0.240 -17.115 1.00 1.00 H +ATOM 334 HB2 TYR A 23 -16.873 -1.788 -16.822 1.00 1.00 H +ATOM 335 HB3 TYR A 23 -16.302 -1.111 -15.312 1.00 1.00 H +ATOM 336 HD1 TYR A 23 -19.217 -2.633 -17.008 1.00 1.00 H +ATOM 337 HD2 TYR A 23 -17.588 -1.300 -13.283 1.00 1.00 H +ATOM 338 HE1 TYR A 23 -21.084 -3.821 -15.758 1.00 1.00 H +ATOM 339 HE2 TYR A 23 -19.460 -2.492 -12.046 1.00 1.00 H +ATOM 340 HH TYR A 23 -21.249 -3.681 -12.208 1.00 1.00 H +ATOM 341 N LEU A 24 -16.862 1.118 -14.322 1.00 1.00 N +ATOM 342 CA LEU A 24 -16.988 1.922 -13.118 1.00 1.00 C +ATOM 343 C LEU A 24 -17.263 3.375 -13.506 1.00 1.00 C +ATOM 344 O LEU A 24 -17.742 4.160 -12.688 1.00 1.00 O +ATOM 345 CB LEU A 24 -15.758 1.745 -12.225 1.00 1.00 C +ATOM 346 CG LEU A 24 -15.983 1.944 -10.725 1.00 1.00 C +ATOM 347 CD1 LEU A 24 -14.913 1.216 -9.908 1.00 1.00 C +ATOM 348 CD2 LEU A 24 -16.061 3.431 -10.374 1.00 1.00 C +ATOM 349 H LEU A 24 -16.015 0.590 -14.392 1.00 1.00 H +ATOM 350 HA LEU A 24 -17.845 1.543 -12.563 1.00 1.00 H +ATOM 351 HB2 LEU A 24 -15.359 0.743 -12.383 1.00 1.00 H +ATOM 352 HB3 LEU A 24 -14.992 2.448 -12.553 1.00 1.00 H +ATOM 353 HG LEU A 24 -16.944 1.501 -10.463 1.00 1.00 H +ATOM 354 HD11 LEU A 24 -14.345 0.557 -10.562 1.00 1.00 H +ATOM 355 HD12 LEU A 24 -14.242 1.948 -9.457 1.00 1.00 H +ATOM 356 HD13 LEU A 24 -15.391 0.629 -9.125 1.00 1.00 H +ATOM 357 HD21 LEU A 24 -15.829 4.025 -11.258 1.00 1.00 H +ATOM 358 HD22 LEU A 24 -17.066 3.671 -10.030 1.00 1.00 H +ATOM 359 HD23 LEU A 24 -15.342 3.656 -9.586 1.00 1.00 H +ATOM 360 N LEU A 25 -16.948 3.692 -14.754 1.00 1.00 N +ATOM 361 CA LEU A 25 -17.155 5.037 -15.260 1.00 1.00 C +ATOM 362 C LEU A 25 -18.578 5.490 -14.926 1.00 1.00 C +ATOM 363 O LEU A 25 -18.797 6.643 -14.560 1.00 1.00 O +ATOM 364 CB LEU A 25 -16.821 5.107 -16.751 1.00 1.00 C +ATOM 365 CG LEU A 25 -16.303 6.453 -17.260 1.00 1.00 C +ATOM 366 CD1 LEU A 25 -14.910 6.752 -16.700 1.00 1.00 C +ATOM 367 CD2 LEU A 25 -16.328 6.507 -18.790 1.00 1.00 C +ATOM 368 H LEU A 25 -16.558 3.047 -15.412 1.00 1.00 H +ATOM 369 HA LEU A 25 -16.455 5.693 -14.741 1.00 1.00 H +ATOM 370 HB2 LEU A 25 -16.074 4.343 -16.972 1.00 1.00 H +ATOM 371 HB3 LEU A 25 -17.717 4.847 -17.316 1.00 1.00 H +ATOM 372 HG LEU A 25 -16.970 7.235 -16.901 1.00 1.00 H +ATOM 373 HD11 LEU A 25 -14.845 6.381 -15.677 1.00 1.00 H +ATOM 374 HD12 LEU A 25 -14.157 6.258 -17.315 1.00 1.00 H +ATOM 375 HD13 LEU A 25 -14.739 7.828 -16.708 1.00 1.00 H +ATOM 376 HD21 LEU A 25 -16.444 5.498 -19.188 1.00 1.00 H +ATOM 377 HD22 LEU A 25 -17.163 7.125 -19.118 1.00 1.00 H +ATOM 378 HD23 LEU A 25 -15.393 6.935 -19.153 1.00 1.00 H +ATOM 379 N SER A 26 -19.509 4.557 -15.066 1.00 1.00 N +ATOM 380 CA SER A 26 -20.905 4.845 -14.785 1.00 1.00 C +ATOM 381 C SER A 26 -21.251 6.262 -15.248 1.00 1.00 C +ATOM 382 O SER A 26 -21.000 6.621 -16.398 1.00 1.00 O +ATOM 383 CB SER A 26 -21.210 4.686 -13.294 1.00 1.00 C +ATOM 384 OG SER A 26 -20.680 5.759 -12.522 1.00 1.00 O +ATOM 385 H SER A 26 -19.323 3.621 -15.365 1.00 1.00 H +ATOM 386 HA SER A 26 -21.472 4.108 -15.351 1.00 1.00 H +ATOM 387 HB2 SER A 26 -22.290 4.633 -13.149 1.00 1.00 H +ATOM 388 HB3 SER A 26 -20.795 3.743 -12.937 1.00 1.00 H +ATOM 389 HG SER A 26 -20.986 5.681 -11.574 1.00 1.00 H +ATOM 390 N SER A 27 -21.823 7.028 -14.330 1.00 1.00 N +ATOM 391 CA SER A 27 -22.206 8.396 -14.631 1.00 1.00 C +ATOM 392 C SER A 27 -21.226 9.006 -15.633 1.00 1.00 C +ATOM 393 O SER A 27 -20.034 8.701 -15.606 1.00 1.00 O +ATOM 394 CB SER A 27 -22.260 9.245 -13.359 1.00 1.00 C +ATOM 395 OG SER A 27 -23.306 8.828 -12.483 1.00 1.00 O +ATOM 396 H SER A 27 -22.024 6.727 -13.397 1.00 1.00 H +ATOM 397 HA SER A 27 -23.205 8.328 -15.064 1.00 1.00 H +ATOM 398 HB2 SER A 27 -21.306 9.180 -12.839 1.00 1.00 H +ATOM 399 HB3 SER A 27 -22.407 10.290 -13.626 1.00 1.00 H +ATOM 400 HG SER A 27 -23.289 7.833 -12.382 1.00 1.00 H +ATOM 401 N GLY A 28 -21.763 9.856 -16.496 1.00 1.00 N +ATOM 402 CA GLY A 28 -20.949 10.512 -17.507 1.00 1.00 C +ATOM 403 C GLY A 28 -20.825 12.010 -17.224 1.00 1.00 C +ATOM 404 O GLY A 28 -21.705 12.788 -17.587 1.00 1.00 O +ATOM 405 H GLY A 28 -22.733 10.098 -16.512 1.00 1.00 H +ATOM 406 HA2 GLY A 28 -19.958 10.058 -17.530 1.00 1.00 H +ATOM 407 HA3 GLY A 28 -21.393 10.359 -18.490 1.00 1.00 H +ATOM 408 N ILE A 29 -19.726 12.369 -16.577 1.00 1.00 N +ATOM 409 CA ILE A 29 -19.476 13.759 -16.240 1.00 1.00 C +ATOM 410 C ILE A 29 -18.778 14.446 -17.416 1.00 1.00 C +ATOM 411 O ILE A 29 -18.660 13.868 -18.496 1.00 1.00 O +ATOM 412 CB ILE A 29 -18.705 13.862 -14.923 1.00 1.00 C +ATOM 413 CG1 ILE A 29 -18.831 12.570 -14.112 1.00 1.00 C +ATOM 414 CG2 ILE A 29 -19.148 15.088 -14.120 1.00 1.00 C +ATOM 415 CD1 ILE A 29 -18.832 12.864 -12.610 1.00 1.00 C +ATOM 416 H ILE A 29 -19.016 11.729 -16.284 1.00 1.00 H +ATOM 417 HA ILE A 29 -20.442 14.237 -16.085 1.00 1.00 H +ATOM 418 HB ILE A 29 -17.648 13.995 -15.154 1.00 1.00 H +ATOM 419 HG12 ILE A 29 -19.750 12.055 -14.385 1.00 1.00 H +ATOM 420 HG13 ILE A 29 -18.006 11.901 -14.355 1.00 1.00 H +ATOM 421 HG21 ILE A 29 -19.551 15.838 -14.800 1.00 1.00 H +ATOM 422 HG22 ILE A 29 -19.917 14.794 -13.406 1.00 1.00 H +ATOM 423 HG23 ILE A 29 -18.293 15.501 -13.587 1.00 1.00 H +ATOM 424 HD11 ILE A 29 -18.115 13.657 -12.395 1.00 1.00 H +ATOM 425 HD12 ILE A 29 -19.827 13.181 -12.303 1.00 1.00 H +ATOM 426 HD13 ILE A 29 -18.551 11.962 -12.063 1.00 1.00 H +ATOM 427 N ASN A 30 -18.334 15.670 -17.167 1.00 1.00 N +ATOM 428 CA ASN A 30 -17.651 16.441 -18.191 1.00 1.00 C +ATOM 429 C ASN A 30 -16.255 15.859 -18.416 1.00 1.00 C +ATOM 430 O ASN A 30 -15.506 16.341 -19.265 1.00 1.00 O +ATOM 431 CB ASN A 30 -17.490 17.901 -17.766 1.00 1.00 C +ATOM 432 CG ASN A 30 -16.869 18.001 -16.371 1.00 1.00 C +ATOM 433 OD1 ASN A 30 -17.507 17.757 -15.360 1.00 1.00 O +ATOM 434 ND2 ASN A 30 -15.593 18.373 -16.372 1.00 1.00 N +ATOM 435 H ASN A 30 -18.434 16.133 -16.286 1.00 1.00 H +ATOM 436 HA ASN A 30 -18.282 16.364 -19.076 1.00 1.00 H +ATOM 437 HB2 ASN A 30 -16.864 18.427 -18.486 1.00 1.00 H +ATOM 438 HB3 ASN A 30 -18.463 18.394 -17.771 1.00 1.00 H +ATOM 439 HD21 ASN A 30 -15.127 18.559 -17.237 1.00 1.00 H +ATOM 440 HD22 ASN A 30 -15.098 18.468 -15.509 1.00 1.00 H +ATOM 441 N GLY A 31 -15.945 14.829 -17.640 1.00 1.00 N +ATOM 442 CA GLY A 31 -14.651 14.176 -17.744 1.00 1.00 C +ATOM 443 C GLY A 31 -14.177 13.677 -16.377 1.00 1.00 C +ATOM 444 O GLY A 31 -14.512 14.262 -15.349 1.00 1.00 O +ATOM 445 H GLY A 31 -16.559 14.442 -16.952 1.00 1.00 H +ATOM 446 HA2 GLY A 31 -14.719 13.337 -18.438 1.00 1.00 H +ATOM 447 HA3 GLY A 31 -13.920 14.872 -18.157 1.00 1.00 H +ATOM 448 N SER A 32 -13.405 12.602 -16.412 1.00 1.00 N +ATOM 449 CA SER A 32 -12.881 12.019 -15.188 1.00 1.00 C +ATOM 450 C SER A 32 -11.577 11.275 -15.480 1.00 1.00 C +ATOM 451 O SER A 32 -11.554 10.347 -16.287 1.00 1.00 O +ATOM 452 CB SER A 32 -13.900 11.072 -14.549 1.00 1.00 C +ATOM 453 OG SER A 32 -13.867 11.136 -13.126 1.00 1.00 O +ATOM 454 H SER A 32 -13.137 12.131 -17.252 1.00 1.00 H +ATOM 455 HA SER A 32 -12.700 12.862 -14.521 1.00 1.00 H +ATOM 456 HB2 SER A 32 -14.900 11.326 -14.900 1.00 1.00 H +ATOM 457 HB3 SER A 32 -13.697 10.050 -14.871 1.00 1.00 H +ATOM 458 HG SER A 32 -13.238 11.853 -12.830 1.00 1.00 H +ATOM 459 N PHE A 33 -10.521 11.709 -14.807 1.00 1.00 N +ATOM 460 CA PHE A 33 -9.216 11.096 -14.984 1.00 1.00 C +ATOM 461 C PHE A 33 -8.869 10.195 -13.798 1.00 1.00 C +ATOM 462 O PHE A 33 -9.188 10.516 -12.654 1.00 1.00 O +ATOM 463 CB PHE A 33 -8.195 12.233 -15.061 1.00 1.00 C +ATOM 464 CG PHE A 33 -7.840 12.844 -13.704 1.00 1.00 C +ATOM 465 CD1 PHE A 33 -8.816 13.383 -12.926 1.00 1.00 C +ATOM 466 CD2 PHE A 33 -6.550 12.846 -13.275 1.00 1.00 C +ATOM 467 CE1 PHE A 33 -8.487 13.951 -11.666 1.00 1.00 C +ATOM 468 CE2 PHE A 33 -6.220 13.414 -12.015 1.00 1.00 C +ATOM 469 CZ PHE A 33 -7.196 13.953 -11.237 1.00 1.00 C +ATOM 470 H PHE A 33 -10.548 12.466 -14.152 1.00 1.00 H +ATOM 471 HA PHE A 33 -9.261 10.497 -15.894 1.00 1.00 H +ATOM 472 HB2 PHE A 33 -7.283 11.859 -15.528 1.00 1.00 H +ATOM 473 HB3 PHE A 33 -8.587 13.017 -15.709 1.00 1.00 H +ATOM 474 HD1 PHE A 33 -9.851 13.381 -13.269 1.00 1.00 H +ATOM 475 HD2 PHE A 33 -5.767 12.414 -13.899 1.00 1.00 H +ATOM 476 HE1 PHE A 33 -9.268 14.385 -11.041 1.00 1.00 H +ATOM 477 HE2 PHE A 33 -5.186 13.416 -11.672 1.00 1.00 H +ATOM 478 HZ PHE A 33 -6.943 14.389 -10.270 1.00 1.00 H +ATOM 479 N LEU A 34 -8.219 9.082 -14.112 1.00 1.00 N +ATOM 480 CA LEU A 34 -7.825 8.132 -13.087 1.00 1.00 C +ATOM 481 C LEU A 34 -6.597 7.353 -13.563 1.00 1.00 C +ATOM 482 O LEU A 34 -6.606 6.779 -14.652 1.00 1.00 O +ATOM 483 CB LEU A 34 -9.006 7.239 -12.701 1.00 1.00 C +ATOM 484 CG LEU A 34 -10.125 7.122 -13.738 1.00 1.00 C +ATOM 485 CD1 LEU A 34 -10.711 5.709 -13.754 1.00 1.00 C +ATOM 486 CD2 LEU A 34 -11.200 8.186 -13.508 1.00 1.00 C +ATOM 487 H LEU A 34 -7.962 8.829 -15.045 1.00 1.00 H +ATOM 488 HA LEU A 34 -7.549 8.702 -12.200 1.00 1.00 H +ATOM 489 HB2 LEU A 34 -8.627 6.239 -12.489 1.00 1.00 H +ATOM 490 HB3 LEU A 34 -9.436 7.620 -11.774 1.00 1.00 H +ATOM 491 HG LEU A 34 -9.698 7.305 -14.723 1.00 1.00 H +ATOM 492 HD11 LEU A 34 -9.904 4.979 -13.689 1.00 1.00 H +ATOM 493 HD12 LEU A 34 -11.383 5.585 -12.904 1.00 1.00 H +ATOM 494 HD13 LEU A 34 -11.265 5.557 -14.681 1.00 1.00 H +ATOM 495 HD21 LEU A 34 -10.772 9.021 -12.952 1.00 1.00 H +ATOM 496 HD22 LEU A 34 -11.569 8.542 -14.470 1.00 1.00 H +ATOM 497 HD23 LEU A 34 -12.023 7.755 -12.939 1.00 1.00 H +ATOM 498 N VAL A 35 -5.569 7.359 -12.728 1.00 1.00 N +ATOM 499 CA VAL A 35 -4.338 6.661 -13.050 1.00 1.00 C +ATOM 500 C VAL A 35 -4.545 5.156 -12.865 1.00 1.00 C +ATOM 501 O VAL A 35 -5.199 4.728 -11.915 1.00 1.00 O +ATOM 502 CB VAL A 35 -3.186 7.214 -12.206 1.00 1.00 C +ATOM 503 CG1 VAL A 35 -1.931 6.352 -12.361 1.00 1.00 C +ATOM 504 CG2 VAL A 35 -2.897 8.673 -12.562 1.00 1.00 C +ATOM 505 H VAL A 35 -5.571 7.829 -11.844 1.00 1.00 H +ATOM 506 HA VAL A 35 -4.113 6.858 -14.099 1.00 1.00 H +ATOM 507 HB VAL A 35 -3.490 7.177 -11.160 1.00 1.00 H +ATOM 508 HG11 VAL A 35 -1.754 6.155 -13.418 1.00 1.00 H +ATOM 509 HG12 VAL A 35 -1.074 6.880 -11.942 1.00 1.00 H +ATOM 510 HG13 VAL A 35 -2.071 5.409 -11.833 1.00 1.00 H +ATOM 511 HG21 VAL A 35 -3.072 8.829 -13.626 1.00 1.00 H +ATOM 512 HG22 VAL A 35 -3.555 9.325 -11.986 1.00 1.00 H +ATOM 513 HG23 VAL A 35 -1.859 8.906 -12.327 1.00 1.00 H +ATOM 514 N ARG A 36 -3.976 4.395 -13.789 1.00 1.00 N +ATOM 515 CA ARG A 36 -4.091 2.948 -13.739 1.00 1.00 C +ATOM 516 C ARG A 36 -2.708 2.302 -13.857 1.00 1.00 C +ATOM 517 O ARG A 36 -1.988 2.541 -14.824 1.00 1.00 O +ATOM 518 CB ARG A 36 -4.987 2.427 -14.864 1.00 1.00 C +ATOM 519 CG ARG A 36 -6.337 1.956 -14.317 1.00 1.00 C +ATOM 520 CD ARG A 36 -7.417 2.017 -15.397 1.00 1.00 C +ATOM 521 NE ARG A 36 -8.557 1.150 -15.023 1.00 1.00 N +ATOM 522 CZ ARG A 36 -9.535 1.515 -14.184 1.00 1.00 C +ATOM 523 NH1 ARG A 36 -9.520 2.735 -13.627 1.00 1.00 N +ATOM 524 NH2 ARG A 36 -10.530 0.663 -13.902 1.00 1.00 N +ATOM 525 H ARG A 36 -3.445 4.751 -14.557 1.00 1.00 H +ATOM 526 HA ARG A 36 -4.540 2.737 -12.769 1.00 1.00 H +ATOM 527 HB2 ARG A 36 -5.145 3.214 -15.601 1.00 1.00 H +ATOM 528 HB3 ARG A 36 -4.492 1.604 -15.378 1.00 1.00 H +ATOM 529 HG2 ARG A 36 -6.246 0.936 -13.945 1.00 1.00 H +ATOM 530 HG3 ARG A 36 -6.627 2.580 -13.471 1.00 1.00 H +ATOM 531 HD2 ARG A 36 -7.759 3.045 -15.525 1.00 1.00 H +ATOM 532 HD3 ARG A 36 -7.004 1.697 -16.354 1.00 1.00 H +ATOM 533 HE ARG A 36 -8.599 0.233 -15.420 1.00 1.00 H +ATOM 534 HH11 ARG A 36 -8.778 3.371 -13.838 1.00 1.00 H +ATOM 535 HH12 ARG A 36 -10.250 3.008 -13.001 1.00 1.00 H +ATOM 536 HH21 ARG A 36 -10.541 -0.247 -14.317 1.00 1.00 H +ATOM 537 HH22 ARG A 36 -11.259 0.936 -13.275 1.00 1.00 H +ATOM 538 N GLU A 37 -2.380 1.495 -12.859 1.00 1.00 N +ATOM 539 CA GLU A 37 -1.097 0.812 -12.838 1.00 1.00 C +ATOM 540 C GLU A 37 -1.268 -0.652 -13.254 1.00 1.00 C +ATOM 541 O GLU A 37 -2.313 -1.251 -13.010 1.00 1.00 O +ATOM 542 CB GLU A 37 -0.442 0.918 -11.461 1.00 1.00 C +ATOM 543 CG GLU A 37 -1.030 -0.111 -10.492 1.00 1.00 C +ATOM 544 CD GLU A 37 0.072 -0.796 -9.685 1.00 1.00 C +ATOM 545 OE1 GLU A 37 0.905 -0.056 -9.118 1.00 1.00 O +ATOM 546 OE2 GLU A 37 0.060 -2.045 -9.653 1.00 1.00 O +ATOM 547 H GLU A 37 -2.972 1.305 -12.076 1.00 1.00 H +ATOM 548 HA GLU A 37 -0.480 1.334 -13.570 1.00 1.00 H +ATOM 549 HB2 GLU A 37 0.634 0.763 -11.553 1.00 1.00 H +ATOM 550 HB3 GLU A 37 -0.586 1.921 -11.062 1.00 1.00 H +ATOM 551 HG2 GLU A 37 -1.730 0.380 -9.816 1.00 1.00 H +ATOM 552 HG3 GLU A 37 -1.595 -0.857 -11.050 1.00 1.00 H +ATOM 553 N SER A 38 -0.225 -1.182 -13.874 1.00 1.00 N +ATOM 554 CA SER A 38 -0.246 -2.563 -14.326 1.00 1.00 C +ATOM 555 C SER A 38 -0.049 -3.505 -13.137 1.00 1.00 C +ATOM 556 O SER A 38 -0.413 -3.174 -12.009 1.00 1.00 O +ATOM 557 CB SER A 38 0.829 -2.813 -15.385 1.00 1.00 C +ATOM 558 OG SER A 38 0.570 -3.993 -16.142 1.00 1.00 O +ATOM 559 H SER A 38 0.623 -0.687 -14.069 1.00 1.00 H +ATOM 560 HA SER A 38 -1.232 -2.707 -14.768 1.00 1.00 H +ATOM 561 HB2 SER A 38 0.882 -1.956 -16.056 1.00 1.00 H +ATOM 562 HB3 SER A 38 1.801 -2.899 -14.902 1.00 1.00 H +ATOM 563 HG SER A 38 -0.288 -4.410 -15.840 1.00 1.00 H +ATOM 564 N GLU A 39 0.529 -4.661 -13.429 1.00 1.00 N +ATOM 565 CA GLU A 39 0.779 -5.655 -12.397 1.00 1.00 C +ATOM 566 C GLU A 39 2.079 -5.335 -11.658 1.00 1.00 C +ATOM 567 O GLU A 39 2.055 -4.763 -10.570 1.00 1.00 O +ATOM 568 CB GLU A 39 0.817 -7.064 -12.991 1.00 1.00 C +ATOM 569 CG GLU A 39 0.838 -8.124 -11.887 1.00 1.00 C +ATOM 570 CD GLU A 39 0.263 -7.567 -10.582 1.00 1.00 C +ATOM 571 OE1 GLU A 39 -0.981 -7.581 -10.460 1.00 1.00 O +ATOM 572 OE2 GLU A 39 1.080 -7.141 -9.737 1.00 1.00 O +ATOM 573 H GLU A 39 0.822 -4.924 -14.348 1.00 1.00 H +ATOM 574 HA GLU A 39 -0.065 -5.579 -11.711 1.00 1.00 H +ATOM 575 HB2 GLU A 39 -0.051 -7.217 -13.630 1.00 1.00 H +ATOM 576 HB3 GLU A 39 1.699 -7.173 -13.621 1.00 1.00 H +ATOM 577 HG2 GLU A 39 0.260 -8.993 -12.202 1.00 1.00 H +ATOM 578 HG3 GLU A 39 1.861 -8.462 -11.722 1.00 1.00 H +ATOM 579 N SER A 40 3.186 -5.720 -12.279 1.00 1.00 N +ATOM 580 CA SER A 40 4.493 -5.482 -11.694 1.00 1.00 C +ATOM 581 C SER A 40 5.561 -5.458 -12.789 1.00 1.00 C +ATOM 582 O SER A 40 6.264 -6.446 -12.997 1.00 1.00 O +ATOM 583 CB SER A 40 4.831 -6.545 -10.647 1.00 1.00 C +ATOM 584 OG SER A 40 5.942 -6.167 -9.839 1.00 1.00 O +ATOM 585 H SER A 40 3.198 -6.185 -13.164 1.00 1.00 H +ATOM 586 HA SER A 40 4.421 -4.507 -11.210 1.00 1.00 H +ATOM 587 HB2 SER A 40 3.962 -6.715 -10.009 1.00 1.00 H +ATOM 588 HB3 SER A 40 5.050 -7.488 -11.146 1.00 1.00 H +ATOM 589 HG SER A 40 6.047 -5.172 -9.846 1.00 1.00 H +ATOM 590 N SER A 41 5.650 -4.320 -13.461 1.00 1.00 N +ATOM 591 CA SER A 41 6.618 -4.155 -14.530 1.00 1.00 C +ATOM 592 C SER A 41 7.428 -2.876 -14.310 1.00 1.00 C +ATOM 593 O SER A 41 7.009 -1.991 -13.564 1.00 1.00 O +ATOM 594 CB SER A 41 5.932 -4.120 -15.897 1.00 1.00 C +ATOM 595 OG SER A 41 6.410 -5.148 -16.761 1.00 1.00 O +ATOM 596 H SER A 41 5.075 -3.521 -13.285 1.00 1.00 H +ATOM 597 HA SER A 41 7.266 -5.030 -14.471 1.00 1.00 H +ATOM 598 HB2 SER A 41 4.855 -4.230 -15.764 1.00 1.00 H +ATOM 599 HB3 SER A 41 6.099 -3.149 -16.363 1.00 1.00 H +ATOM 600 HG SER A 41 6.392 -4.833 -17.710 1.00 1.00 H +ATOM 601 N PRO A 42 8.604 -2.814 -14.991 1.00 1.00 N +ATOM 602 CA PRO A 42 9.476 -1.657 -14.878 1.00 1.00 C +ATOM 603 C PRO A 42 8.917 -0.470 -15.667 1.00 1.00 C +ATOM 604 O PRO A 42 9.176 -0.338 -16.862 1.00 1.00 O +ATOM 605 CB PRO A 42 10.825 -2.129 -15.393 1.00 1.00 C +ATOM 606 CG PRO A 42 10.547 -3.385 -16.204 1.00 1.00 C +ATOM 607 CD PRO A 42 9.133 -3.842 -15.885 1.00 1.00 C +ATOM 608 HA PRO A 42 9.526 -1.352 -13.927 1.00 1.00 H +ATOM 609 HB2 PRO A 42 11.299 -1.363 -16.007 1.00 1.00 H +ATOM 610 HB3 PRO A 42 11.505 -2.341 -14.567 1.00 1.00 H +ATOM 611 HG2 PRO A 42 10.650 -3.181 -17.270 1.00 1.00 H +ATOM 612 HG3 PRO A 42 11.265 -4.166 -15.957 1.00 1.00 H +ATOM 613 HD2 PRO A 42 8.531 -3.927 -16.789 1.00 1.00 H +ATOM 614 HD3 PRO A 42 9.132 -4.820 -15.406 1.00 1.00 H +ATOM 615 N GLY A 43 8.161 0.362 -14.966 1.00 1.00 N +ATOM 616 CA GLY A 43 7.564 1.533 -15.585 1.00 1.00 C +ATOM 617 C GLY A 43 6.294 1.159 -16.354 1.00 1.00 C +ATOM 618 O GLY A 43 6.302 1.107 -17.583 1.00 1.00 O +ATOM 619 H GLY A 43 7.956 0.247 -13.994 1.00 1.00 H +ATOM 620 HA2 GLY A 43 7.326 2.272 -14.821 1.00 1.00 H +ATOM 621 HA3 GLY A 43 8.281 1.995 -16.262 1.00 1.00 H +ATOM 622 N GLN A 44 5.235 0.910 -15.598 1.00 1.00 N +ATOM 623 CA GLN A 44 3.962 0.543 -16.192 1.00 1.00 C +ATOM 624 C GLN A 44 2.825 1.335 -15.544 1.00 1.00 C +ATOM 625 O GLN A 44 2.317 0.949 -14.492 1.00 1.00 O +ATOM 626 CB GLN A 44 3.716 -0.963 -16.078 1.00 1.00 C +ATOM 627 CG GLN A 44 4.520 -1.562 -14.921 1.00 1.00 C +ATOM 628 CD GLN A 44 4.251 -0.809 -13.618 1.00 1.00 C +ATOM 629 OE1 GLN A 44 3.147 -0.791 -13.097 1.00 1.00 O +ATOM 630 NE2 GLN A 44 5.318 -0.190 -13.121 1.00 1.00 N +ATOM 631 H GLN A 44 5.239 0.955 -14.599 1.00 1.00 H +ATOM 632 HA GLN A 44 4.045 0.811 -17.246 1.00 1.00 H +ATOM 633 HB2 GLN A 44 2.654 -1.151 -15.923 1.00 1.00 H +ATOM 634 HB3 GLN A 44 3.994 -1.453 -17.010 1.00 1.00 H +ATOM 635 HG2 GLN A 44 4.258 -2.613 -14.799 1.00 1.00 H +ATOM 636 HG3 GLN A 44 5.584 -1.523 -15.155 1.00 1.00 H +ATOM 637 HE21 GLN A 44 6.195 -0.244 -13.598 1.00 1.00 H +ATOM 638 HE22 GLN A 44 5.242 0.330 -12.270 1.00 1.00 H +ATOM 639 N ARG A 45 2.459 2.427 -16.198 1.00 1.00 N +ATOM 640 CA ARG A 45 1.391 3.277 -15.697 1.00 1.00 C +ATOM 641 C ARG A 45 0.382 3.569 -16.809 1.00 1.00 C +ATOM 642 O ARG A 45 0.712 3.491 -17.991 1.00 1.00 O +ATOM 643 CB ARG A 45 1.945 4.598 -15.162 1.00 1.00 C +ATOM 644 CG ARG A 45 1.746 4.703 -13.648 1.00 1.00 C +ATOM 645 CD ARG A 45 2.479 3.574 -12.920 1.00 1.00 C +ATOM 646 NE ARG A 45 3.552 4.134 -12.067 1.00 1.00 N +ATOM 647 CZ ARG A 45 3.499 4.183 -10.729 1.00 1.00 C +ATOM 648 NH1 ARG A 45 2.427 3.704 -10.083 1.00 1.00 N +ATOM 649 NH2 ARG A 45 4.519 4.709 -10.037 1.00 1.00 N +ATOM 650 H ARG A 45 2.878 2.734 -17.053 1.00 1.00 H +ATOM 651 HA ARG A 45 0.934 2.704 -14.891 1.00 1.00 H +ATOM 652 HB2 ARG A 45 3.007 4.676 -15.398 1.00 1.00 H +ATOM 653 HB3 ARG A 45 1.448 5.433 -15.655 1.00 1.00 H +ATOM 654 HG2 ARG A 45 2.113 5.666 -13.294 1.00 1.00 H +ATOM 655 HG3 ARG A 45 0.682 4.661 -13.414 1.00 1.00 H +ATOM 656 HD2 ARG A 45 1.777 3.007 -12.309 1.00 1.00 H +ATOM 657 HD3 ARG A 45 2.904 2.879 -13.644 1.00 1.00 H +ATOM 658 HE ARG A 45 4.366 4.500 -12.518 1.00 1.00 H +ATOM 659 HH11 ARG A 45 1.667 3.312 -10.599 1.00 1.00 H +ATOM 660 HH12 ARG A 45 2.389 3.741 -9.084 1.00 1.00 H +ATOM 661 HH21 ARG A 45 5.319 5.066 -10.520 1.00 1.00 H +ATOM 662 HH22 ARG A 45 4.479 4.746 -9.039 1.00 1.00 H +ATOM 663 N SER A 46 -0.832 3.900 -16.389 1.00 1.00 N +ATOM 664 CA SER A 46 -1.892 4.205 -17.334 1.00 1.00 C +ATOM 665 C SER A 46 -2.706 5.401 -16.839 1.00 1.00 C +ATOM 666 O SER A 46 -2.653 5.748 -15.660 1.00 1.00 O +ATOM 667 CB SER A 46 -2.804 2.994 -17.547 1.00 1.00 C +ATOM 668 OG SER A 46 -2.914 2.644 -18.924 1.00 1.00 O +ATOM 669 H SER A 46 -1.093 3.962 -15.427 1.00 1.00 H +ATOM 670 HA SER A 46 -1.386 4.447 -18.269 1.00 1.00 H +ATOM 671 HB2 SER A 46 -2.415 2.144 -16.987 1.00 1.00 H +ATOM 672 HB3 SER A 46 -3.795 3.212 -17.149 1.00 1.00 H +ATOM 673 HG SER A 46 -3.342 3.390 -19.433 1.00 1.00 H +ATOM 674 N ILE A 47 -3.440 6.000 -17.765 1.00 1.00 N +ATOM 675 CA ILE A 47 -4.265 7.152 -17.438 1.00 1.00 C +ATOM 676 C ILE A 47 -5.637 6.995 -18.097 1.00 1.00 C +ATOM 677 O ILE A 47 -5.734 6.881 -19.318 1.00 1.00 O +ATOM 678 CB ILE A 47 -3.547 8.449 -17.813 1.00 1.00 C +ATOM 679 CG1 ILE A 47 -3.116 9.220 -16.564 1.00 1.00 C +ATOM 680 CG2 ILE A 47 -4.409 9.304 -18.744 1.00 1.00 C +ATOM 681 CD1 ILE A 47 -4.302 9.446 -15.623 1.00 1.00 C +ATOM 682 H ILE A 47 -3.478 5.714 -18.722 1.00 1.00 H +ATOM 683 HA ILE A 47 -4.401 7.159 -16.355 1.00 1.00 H +ATOM 684 HB ILE A 47 -2.641 8.191 -18.360 1.00 1.00 H +ATOM 685 HG12 ILE A 47 -2.334 8.667 -16.042 1.00 1.00 H +ATOM 686 HG13 ILE A 47 -2.688 10.178 -16.852 1.00 1.00 H +ATOM 687 HG21 ILE A 47 -4.626 8.744 -19.653 1.00 1.00 H +ATOM 688 HG22 ILE A 47 -5.342 9.560 -18.243 1.00 1.00 H +ATOM 689 HG23 ILE A 47 -3.872 10.218 -19.000 1.00 1.00 H +ATOM 690 HD11 ILE A 47 -5.201 9.629 -16.210 1.00 1.00 H +ATOM 691 HD12 ILE A 47 -4.447 8.560 -15.004 1.00 1.00 H +ATOM 692 HD13 ILE A 47 -4.102 10.307 -14.985 1.00 1.00 H +ATOM 693 N SER A 48 -6.665 6.996 -17.259 1.00 1.00 N +ATOM 694 CA SER A 48 -8.025 6.856 -17.746 1.00 1.00 C +ATOM 695 C SER A 48 -8.783 8.174 -17.567 1.00 1.00 C +ATOM 696 O SER A 48 -9.204 8.507 -16.460 1.00 1.00 O +ATOM 697 CB SER A 48 -8.755 5.722 -17.021 1.00 1.00 C +ATOM 698 OG SER A 48 -8.315 5.580 -15.673 1.00 1.00 O +ATOM 699 H SER A 48 -6.577 7.089 -16.268 1.00 1.00 H +ATOM 700 HA SER A 48 -7.931 6.609 -18.803 1.00 1.00 H +ATOM 701 HB2 SER A 48 -9.828 5.914 -17.035 1.00 1.00 H +ATOM 702 HB3 SER A 48 -8.592 4.787 -17.557 1.00 1.00 H +ATOM 703 HG SER A 48 -8.719 4.761 -15.266 1.00 1.00 H +ATOM 704 N LEU A 49 -8.934 8.886 -18.674 1.00 1.00 N +ATOM 705 CA LEU A 49 -9.633 10.160 -18.654 1.00 1.00 C +ATOM 706 C LEU A 49 -10.977 10.009 -19.368 1.00 1.00 C +ATOM 707 O LEU A 49 -11.031 9.556 -20.510 1.00 1.00 O +ATOM 708 CB LEU A 49 -8.749 11.266 -19.235 1.00 1.00 C +ATOM 709 CG LEU A 49 -7.928 10.889 -20.469 1.00 1.00 C +ATOM 710 CD1 LEU A 49 -8.440 11.621 -21.711 1.00 1.00 C +ATOM 711 CD2 LEU A 49 -6.438 11.135 -20.232 1.00 1.00 C +ATOM 712 H LEU A 49 -8.588 8.608 -19.570 1.00 1.00 H +ATOM 713 HA LEU A 49 -9.822 10.412 -17.610 1.00 1.00 H +ATOM 714 HB2 LEU A 49 -9.384 12.114 -19.489 1.00 1.00 H +ATOM 715 HB3 LEU A 49 -8.065 11.601 -18.455 1.00 1.00 H +ATOM 716 HG LEU A 49 -8.053 9.821 -20.651 1.00 1.00 H +ATOM 717 HD11 LEU A 49 -9.527 11.684 -21.674 1.00 1.00 H +ATOM 718 HD12 LEU A 49 -8.019 12.626 -21.740 1.00 1.00 H +ATOM 719 HD13 LEU A 49 -8.138 11.075 -22.605 1.00 1.00 H +ATOM 720 HD21 LEU A 49 -6.249 11.227 -19.163 1.00 1.00 H +ATOM 721 HD22 LEU A 49 -5.863 10.300 -20.633 1.00 1.00 H +ATOM 722 HD23 LEU A 49 -6.136 12.057 -20.733 1.00 1.00 H +ATOM 723 N ARG A 50 -12.032 10.397 -18.665 1.00 1.00 N +ATOM 724 CA ARG A 50 -13.373 10.311 -19.217 1.00 1.00 C +ATOM 725 C ARG A 50 -13.702 11.577 -20.010 1.00 1.00 C +ATOM 726 O ARG A 50 -13.160 12.646 -19.734 1.00 1.00 O +ATOM 727 CB ARG A 50 -14.413 10.125 -18.110 1.00 1.00 C +ATOM 728 CG ARG A 50 -15.672 9.443 -18.650 1.00 1.00 C +ATOM 729 CD ARG A 50 -16.783 10.461 -18.902 1.00 1.00 C +ATOM 730 NE ARG A 50 -17.956 9.793 -19.509 1.00 1.00 N +ATOM 731 CZ ARG A 50 -19.102 10.417 -19.816 1.00 1.00 C +ATOM 732 NH1 ARG A 50 -19.236 11.728 -19.576 1.00 1.00 N +ATOM 733 NH2 ARG A 50 -20.112 9.729 -20.364 1.00 1.00 N +ATOM 734 H ARG A 50 -11.980 10.764 -17.736 1.00 1.00 H +ATOM 735 HA ARG A 50 -13.351 9.436 -19.866 1.00 1.00 H +ATOM 736 HB2 ARG A 50 -13.989 9.529 -17.304 1.00 1.00 H +ATOM 737 HB3 ARG A 50 -14.674 11.094 -17.686 1.00 1.00 H +ATOM 738 HG2 ARG A 50 -15.436 8.920 -19.577 1.00 1.00 H +ATOM 739 HG3 ARG A 50 -16.016 8.691 -17.938 1.00 1.00 H +ATOM 740 HD2 ARG A 50 -17.071 10.938 -17.964 1.00 1.00 H +ATOM 741 HD3 ARG A 50 -16.424 11.251 -19.562 1.00 1.00 H +ATOM 742 HE ARG A 50 -17.889 8.814 -19.700 1.00 1.00 H +ATOM 743 HH11 ARG A 50 -18.481 12.242 -19.167 1.00 1.00 H +ATOM 744 HH12 ARG A 50 -20.091 12.193 -19.805 1.00 1.00 H +ATOM 745 HH21 ARG A 50 -20.013 8.750 -20.543 1.00 1.00 H +ATOM 746 HH22 ARG A 50 -20.967 10.195 -20.592 1.00 1.00 H +ATOM 747 N TYR A 51 -14.590 11.415 -20.981 1.00 1.00 N +ATOM 748 CA TYR A 51 -14.999 12.532 -21.816 1.00 1.00 C +ATOM 749 C TYR A 51 -16.475 12.417 -22.200 1.00 1.00 C +ATOM 750 O TYR A 51 -17.275 11.862 -21.449 1.00 1.00 O +ATOM 751 CB TYR A 51 -14.145 12.444 -23.082 1.00 1.00 C +ATOM 752 CG TYR A 51 -13.569 13.787 -23.538 1.00 1.00 C +ATOM 753 CD1 TYR A 51 -13.075 14.677 -22.607 1.00 1.00 C +ATOM 754 CD2 TYR A 51 -13.543 14.107 -24.880 1.00 1.00 C +ATOM 755 CE1 TYR A 51 -12.533 15.940 -23.036 1.00 1.00 C +ATOM 756 CE2 TYR A 51 -13.001 15.370 -25.310 1.00 1.00 C +ATOM 757 CZ TYR A 51 -12.522 16.224 -24.365 1.00 1.00 C +ATOM 758 OH TYR A 51 -12.010 17.418 -24.771 1.00 1.00 O +ATOM 759 H TYR A 51 -15.027 10.542 -21.199 1.00 1.00 H +ATOM 760 HA TYR A 51 -14.849 13.449 -21.247 1.00 1.00 H +ATOM 761 HB2 TYR A 51 -13.325 11.749 -22.908 1.00 1.00 H +ATOM 762 HB3 TYR A 51 -14.750 12.029 -23.888 1.00 1.00 H +ATOM 763 HD1 TYR A 51 -13.096 14.425 -21.547 1.00 1.00 H +ATOM 764 HD2 TYR A 51 -13.933 13.403 -25.616 1.00 1.00 H +ATOM 765 HE1 TYR A 51 -12.140 16.653 -22.310 1.00 1.00 H +ATOM 766 HE2 TYR A 51 -12.973 15.635 -26.367 1.00 1.00 H +ATOM 767 HH TYR A 51 -11.427 17.285 -25.571 1.00 1.00 H +ATOM 768 N GLU A 52 -16.791 12.951 -23.371 1.00 1.00 N +ATOM 769 CA GLU A 52 -18.157 12.916 -23.865 1.00 1.00 C +ATOM 770 C GLU A 52 -18.554 11.483 -24.226 1.00 1.00 C +ATOM 771 O GLU A 52 -18.540 11.107 -25.397 1.00 1.00 O +ATOM 772 CB GLU A 52 -18.332 13.852 -25.063 1.00 1.00 C +ATOM 773 CG GLU A 52 -18.636 15.278 -24.605 1.00 1.00 C +ATOM 774 CD GLU A 52 -19.993 15.351 -23.901 1.00 1.00 C +ATOM 775 OE1 GLU A 52 -21.010 15.213 -24.614 1.00 1.00 O +ATOM 776 OE2 GLU A 52 -19.982 15.542 -22.667 1.00 1.00 O +ATOM 777 H GLU A 52 -16.134 13.401 -23.976 1.00 1.00 H +ATOM 778 HA GLU A 52 -18.773 13.275 -23.040 1.00 1.00 H +ATOM 779 HB2 GLU A 52 -17.425 13.845 -25.668 1.00 1.00 H +ATOM 780 HB3 GLU A 52 -19.140 13.489 -25.698 1.00 1.00 H +ATOM 781 HG2 GLU A 52 -17.854 15.622 -23.929 1.00 1.00 H +ATOM 782 HG3 GLU A 52 -18.632 15.949 -25.465 1.00 1.00 H +ATOM 783 N GLY A 53 -18.900 10.723 -23.197 1.00 1.00 N +ATOM 784 CA GLY A 53 -19.301 9.339 -23.390 1.00 1.00 C +ATOM 785 C GLY A 53 -18.175 8.527 -24.031 1.00 1.00 C +ATOM 786 O GLY A 53 -18.415 7.738 -24.944 1.00 1.00 O +ATOM 787 H GLY A 53 -18.910 11.037 -22.248 1.00 1.00 H +ATOM 788 HA2 GLY A 53 -19.573 8.899 -22.433 1.00 1.00 H +ATOM 789 HA3 GLY A 53 -20.188 9.299 -24.023 1.00 1.00 H +ATOM 790 N ARG A 54 -16.969 8.747 -23.528 1.00 1.00 N +ATOM 791 CA ARG A 54 -15.805 8.044 -24.040 1.00 1.00 C +ATOM 792 C ARG A 54 -14.760 7.876 -22.936 1.00 1.00 C +ATOM 793 O ARG A 54 -14.633 8.728 -22.059 1.00 1.00 O +ATOM 794 CB ARG A 54 -15.178 8.800 -25.214 1.00 1.00 C +ATOM 795 CG ARG A 54 -15.883 8.453 -26.526 1.00 1.00 C +ATOM 796 CD ARG A 54 -14.903 7.835 -27.528 1.00 1.00 C +ATOM 797 NE ARG A 54 -15.246 6.413 -27.757 1.00 1.00 N +ATOM 798 CZ ARG A 54 -14.468 5.554 -28.429 1.00 1.00 C +ATOM 799 NH1 ARG A 54 -13.301 5.965 -28.941 1.00 1.00 N +ATOM 800 NH2 ARG A 54 -14.858 4.281 -28.589 1.00 1.00 N +ATOM 801 H ARG A 54 -16.782 9.389 -22.785 1.00 1.00 H +ATOM 802 HA ARG A 54 -16.184 7.078 -24.371 1.00 1.00 H +ATOM 803 HB2 ARG A 54 -15.241 9.873 -25.035 1.00 1.00 H +ATOM 804 HB3 ARG A 54 -14.120 8.550 -25.288 1.00 1.00 H +ATOM 805 HG2 ARG A 54 -16.699 7.757 -26.333 1.00 1.00 H +ATOM 806 HG3 ARG A 54 -16.326 9.352 -26.954 1.00 1.00 H +ATOM 807 HD2 ARG A 54 -14.940 8.383 -28.469 1.00 1.00 H +ATOM 808 HD3 ARG A 54 -13.885 7.916 -27.149 1.00 1.00 H +ATOM 809 HE ARG A 54 -16.111 6.073 -27.390 1.00 1.00 H +ATOM 810 HH11 ARG A 54 -13.009 6.915 -28.821 1.00 1.00 H +ATOM 811 HH12 ARG A 54 -12.720 5.323 -29.443 1.00 1.00 H +ATOM 812 HH21 ARG A 54 -15.731 3.974 -28.207 1.00 1.00 H +ATOM 813 HH22 ARG A 54 -14.279 3.639 -29.091 1.00 1.00 H +ATOM 814 N VAL A 55 -14.037 6.767 -23.014 1.00 1.00 N +ATOM 815 CA VAL A 55 -13.007 6.474 -22.030 1.00 1.00 C +ATOM 816 C VAL A 55 -11.655 6.351 -22.737 1.00 1.00 C +ATOM 817 O VAL A 55 -11.460 5.459 -23.561 1.00 1.00 O +ATOM 818 CB VAL A 55 -13.382 5.222 -21.236 1.00 1.00 C +ATOM 819 CG1 VAL A 55 -12.795 3.967 -21.883 1.00 1.00 C +ATOM 820 CG2 VAL A 55 -12.938 5.345 -19.777 1.00 1.00 C +ATOM 821 H VAL A 55 -14.146 6.078 -23.729 1.00 1.00 H +ATOM 822 HA VAL A 55 -12.965 7.315 -21.338 1.00 1.00 H +ATOM 823 HB VAL A 55 -14.468 5.130 -21.250 1.00 1.00 H +ATOM 824 HG11 VAL A 55 -13.173 3.872 -22.902 1.00 1.00 H +ATOM 825 HG12 VAL A 55 -11.708 4.042 -21.904 1.00 1.00 H +ATOM 826 HG13 VAL A 55 -13.087 3.088 -21.305 1.00 1.00 H +ATOM 827 HG21 VAL A 55 -12.012 5.917 -19.726 1.00 1.00 H +ATOM 828 HG22 VAL A 55 -13.713 5.856 -19.204 1.00 1.00 H +ATOM 829 HG23 VAL A 55 -12.775 4.350 -19.361 1.00 1.00 H +ATOM 830 N TYR A 56 -10.756 7.261 -22.389 1.00 1.00 N +ATOM 831 CA TYR A 56 -9.428 7.265 -22.980 1.00 1.00 C +ATOM 832 C TYR A 56 -8.417 6.582 -22.057 1.00 1.00 C +ATOM 833 O TYR A 56 -8.219 7.010 -20.921 1.00 1.00 O +ATOM 834 CB TYR A 56 -9.044 8.737 -23.139 1.00 1.00 C +ATOM 835 CG TYR A 56 -9.908 9.501 -24.143 1.00 1.00 C +ATOM 836 CD1 TYR A 56 -11.233 9.763 -23.854 1.00 1.00 C +ATOM 837 CD2 TYR A 56 -9.364 9.930 -25.337 1.00 1.00 C +ATOM 838 CE1 TYR A 56 -12.046 10.482 -24.801 1.00 1.00 C +ATOM 839 CE2 TYR A 56 -10.178 10.650 -26.282 1.00 1.00 C +ATOM 840 CZ TYR A 56 -11.479 10.890 -25.967 1.00 1.00 C +ATOM 841 OH TYR A 56 -12.248 11.570 -26.860 1.00 1.00 O +ATOM 842 H TYR A 56 -10.922 7.983 -21.718 1.00 1.00 H +ATOM 843 HA TYR A 56 -9.477 6.720 -23.921 1.00 1.00 H +ATOM 844 HB2 TYR A 56 -9.113 9.228 -22.169 1.00 1.00 H +ATOM 845 HB3 TYR A 56 -8.002 8.798 -23.452 1.00 1.00 H +ATOM 846 HD1 TYR A 56 -11.662 9.424 -22.912 1.00 1.00 H +ATOM 847 HD2 TYR A 56 -8.319 9.724 -25.564 1.00 1.00 H +ATOM 848 HE1 TYR A 56 -13.094 10.695 -24.585 1.00 1.00 H +ATOM 849 HE2 TYR A 56 -9.761 10.994 -27.228 1.00 1.00 H +ATOM 850 HH TYR A 56 -13.197 11.593 -26.546 1.00 1.00 H +ATOM 851 N HIS A 57 -7.801 5.533 -22.582 1.00 1.00 N +ATOM 852 CA HIS A 57 -6.814 4.786 -21.820 1.00 1.00 C +ATOM 853 C HIS A 57 -5.429 4.991 -22.436 1.00 1.00 C +ATOM 854 O HIS A 57 -5.134 4.455 -23.503 1.00 1.00 O +ATOM 855 CB HIS A 57 -7.207 3.311 -21.720 1.00 1.00 C +ATOM 856 CG HIS A 57 -8.240 3.019 -20.659 1.00 1.00 C +ATOM 857 ND1 HIS A 57 -9.455 2.419 -20.940 1.00 1.00 N +ATOM 858 CD2 HIS A 57 -8.228 3.253 -19.315 1.00 1.00 C +ATOM 859 CE1 HIS A 57 -10.135 2.302 -19.809 1.00 1.00 C +ATOM 860 NE2 HIS A 57 -9.373 2.819 -18.803 1.00 1.00 N +ATOM 861 H HIS A 57 -7.968 5.191 -23.507 1.00 1.00 H +ATOM 862 HA HIS A 57 -6.819 5.201 -20.811 1.00 1.00 H +ATOM 863 HB2 HIS A 57 -7.590 2.982 -22.687 1.00 1.00 H +ATOM 864 HB3 HIS A 57 -6.313 2.721 -21.514 1.00 1.00 H +ATOM 865 HD1 HIS A 57 -9.767 2.125 -21.844 1.00 1.00 H +ATOM 866 HD2 HIS A 57 -7.414 3.716 -18.757 1.00 1.00 H +ATOM 867 HE1 HIS A 57 -11.128 1.868 -19.701 1.00 1.00 H +ATOM 868 N TYR A 58 -4.614 5.768 -21.736 1.00 1.00 N +ATOM 869 CA TYR A 58 -3.267 6.050 -22.200 1.00 1.00 C +ATOM 870 C TYR A 58 -2.225 5.429 -21.268 1.00 1.00 C +ATOM 871 O TYR A 58 -1.925 5.983 -20.210 1.00 1.00 O +ATOM 872 CB TYR A 58 -3.121 7.573 -22.169 1.00 1.00 C +ATOM 873 CG TYR A 58 -2.918 8.206 -23.546 1.00 1.00 C +ATOM 874 CD1 TYR A 58 -1.811 7.877 -24.302 1.00 1.00 C +ATOM 875 CD2 TYR A 58 -3.842 9.108 -24.035 1.00 1.00 C +ATOM 876 CE1 TYR A 58 -1.621 8.474 -25.598 1.00 1.00 C +ATOM 877 CE2 TYR A 58 -3.651 9.706 -25.331 1.00 1.00 C +ATOM 878 CZ TYR A 58 -2.550 9.358 -26.048 1.00 1.00 C +ATOM 879 OH TYR A 58 -2.370 9.922 -27.274 1.00 1.00 O +ATOM 880 H TYR A 58 -4.862 6.199 -20.868 1.00 1.00 H +ATOM 881 HA TYR A 58 -3.156 5.619 -23.195 1.00 1.00 H +ATOM 882 HB2 TYR A 58 -4.010 8.004 -21.709 1.00 1.00 H +ATOM 883 HB3 TYR A 58 -2.275 7.833 -21.533 1.00 1.00 H +ATOM 884 HD1 TYR A 58 -1.082 7.164 -23.917 1.00 1.00 H +ATOM 885 HD2 TYR A 58 -4.716 9.369 -23.437 1.00 1.00 H +ATOM 886 HE1 TYR A 58 -0.751 8.221 -26.206 1.00 1.00 H +ATOM 887 HE2 TYR A 58 -4.374 10.419 -25.726 1.00 1.00 H +ATOM 888 HH TYR A 58 -2.325 9.210 -27.974 1.00 1.00 H +ATOM 889 N ARG A 59 -1.699 4.290 -21.693 1.00 1.00 N +ATOM 890 CA ARG A 59 -0.696 3.590 -20.909 1.00 1.00 C +ATOM 891 C ARG A 59 0.616 4.376 -20.902 1.00 1.00 C +ATOM 892 O ARG A 59 1.382 4.321 -21.863 1.00 1.00 O +ATOM 893 CB ARG A 59 -0.441 2.189 -21.468 1.00 1.00 C +ATOM 894 CG ARG A 59 -0.896 1.112 -20.481 1.00 1.00 C +ATOM 895 CD ARG A 59 -0.199 -0.220 -20.761 1.00 1.00 C +ATOM 896 NE ARG A 59 -0.971 -0.994 -21.758 1.00 1.00 N +ATOM 897 CZ ARG A 59 -0.718 -0.990 -23.074 1.00 1.00 C +ATOM 898 NH1 ARG A 59 0.289 -0.251 -23.560 1.00 1.00 N +ATOM 899 NH2 ARG A 59 -1.472 -1.725 -23.904 1.00 1.00 N +ATOM 900 H ARG A 59 -1.948 3.847 -22.553 1.00 1.00 H +ATOM 901 HA ARG A 59 -1.121 3.525 -19.908 1.00 1.00 H +ATOM 902 HB2 ARG A 59 -0.970 2.068 -22.412 1.00 1.00 H +ATOM 903 HB3 ARG A 59 0.621 2.065 -21.680 1.00 1.00 H +ATOM 904 HG2 ARG A 59 -0.678 1.434 -19.462 1.00 1.00 H +ATOM 905 HG3 ARG A 59 -1.977 0.985 -20.550 1.00 1.00 H +ATOM 906 HD2 ARG A 59 0.810 -0.040 -21.131 1.00 1.00 H +ATOM 907 HD3 ARG A 59 -0.104 -0.792 -19.838 1.00 1.00 H +ATOM 908 HE ARG A 59 -1.731 -1.557 -21.430 1.00 1.00 H +ATOM 909 HH11 ARG A 59 0.850 0.297 -22.940 1.00 1.00 H +ATOM 910 HH12 ARG A 59 0.477 -0.248 -24.541 1.00 1.00 H +ATOM 911 HH21 ARG A 59 -2.223 -2.276 -23.542 1.00 1.00 H +ATOM 912 HH22 ARG A 59 -1.283 -1.721 -24.886 1.00 1.00 H +ATOM 913 N ILE A 60 0.836 5.089 -19.807 1.00 1.00 N +ATOM 914 CA ILE A 60 2.042 5.885 -19.661 1.00 1.00 C +ATOM 915 C ILE A 60 3.244 4.954 -19.492 1.00 1.00 C +ATOM 916 O ILE A 60 3.224 3.817 -19.960 1.00 1.00 O +ATOM 917 CB ILE A 60 1.883 6.896 -18.524 1.00 1.00 C +ATOM 918 CG1 ILE A 60 0.415 7.291 -18.342 1.00 1.00 C +ATOM 919 CG2 ILE A 60 2.781 8.116 -18.746 1.00 1.00 C +ATOM 920 CD1 ILE A 60 0.230 8.145 -17.087 1.00 1.00 C +ATOM 921 H ILE A 60 0.207 5.128 -19.029 1.00 1.00 H +ATOM 922 HA ILE A 60 2.172 6.453 -20.582 1.00 1.00 H +ATOM 923 HB ILE A 60 2.207 6.423 -17.597 1.00 1.00 H +ATOM 924 HG12 ILE A 60 0.072 7.842 -19.217 1.00 1.00 H +ATOM 925 HG13 ILE A 60 -0.199 6.392 -18.270 1.00 1.00 H +ATOM 926 HG21 ILE A 60 3.562 7.866 -19.463 1.00 1.00 H +ATOM 927 HG22 ILE A 60 2.183 8.941 -19.132 1.00 1.00 H +ATOM 928 HG23 ILE A 60 3.234 8.409 -17.800 1.00 1.00 H +ATOM 929 HD11 ILE A 60 1.108 8.051 -16.449 1.00 1.00 H +ATOM 930 HD12 ILE A 60 0.099 9.189 -17.373 1.00 1.00 H +ATOM 931 HD13 ILE A 60 -0.652 7.806 -16.543 1.00 1.00 H +ATOM 932 N ASN A 61 4.264 5.473 -18.823 1.00 1.00 N +ATOM 933 CA ASN A 61 5.473 4.701 -18.587 1.00 1.00 C +ATOM 934 C ASN A 61 6.431 5.518 -17.716 1.00 1.00 C +ATOM 935 O ASN A 61 6.224 6.713 -17.512 1.00 1.00 O +ATOM 936 CB ASN A 61 6.188 4.380 -19.901 1.00 1.00 C +ATOM 937 CG ASN A 61 5.498 5.069 -21.082 1.00 1.00 C +ATOM 938 OD1 ASN A 61 4.798 4.454 -21.870 1.00 1.00 O +ATOM 939 ND2 ASN A 61 5.736 6.375 -21.159 1.00 1.00 N +ATOM 940 H ASN A 61 4.273 6.398 -18.446 1.00 1.00 H +ATOM 941 HA ASN A 61 5.138 3.787 -18.096 1.00 1.00 H +ATOM 942 HB2 ASN A 61 7.226 4.704 -19.843 1.00 1.00 H +ATOM 943 HB3 ASN A 61 6.197 3.302 -20.059 1.00 1.00 H +ATOM 944 HD21 ASN A 61 6.321 6.818 -20.480 1.00 1.00 H +ATOM 945 HD22 ASN A 61 5.329 6.914 -21.897 1.00 1.00 H +ATOM 946 N THR A 62 7.458 4.840 -17.227 1.00 1.00 N +ATOM 947 CA THR A 62 8.448 5.487 -16.382 1.00 1.00 C +ATOM 948 C THR A 62 9.766 5.656 -17.141 1.00 1.00 C +ATOM 949 O THR A 62 10.032 4.932 -18.099 1.00 1.00 O +ATOM 950 CB THR A 62 8.587 4.665 -15.100 1.00 1.00 C +ATOM 951 OG1 THR A 62 7.314 4.790 -14.469 1.00 1.00 O +ATOM 952 CG2 THR A 62 9.561 5.294 -14.103 1.00 1.00 C +ATOM 953 H THR A 62 7.619 3.868 -17.397 1.00 1.00 H +ATOM 954 HA THR A 62 8.090 6.487 -16.136 1.00 1.00 H +ATOM 955 HB THR A 62 8.870 3.636 -15.325 1.00 1.00 H +ATOM 956 HG1 THR A 62 7.146 3.999 -13.880 1.00 1.00 H +ATOM 957 HG21 THR A 62 10.455 5.627 -14.629 1.00 1.00 H +ATOM 958 HG22 THR A 62 9.085 6.148 -13.618 1.00 1.00 H +ATOM 959 HG23 THR A 62 9.837 4.558 -13.349 1.00 1.00 H +ATOM 960 N ALA A 63 10.557 6.617 -16.683 1.00 1.00 N +ATOM 961 CA ALA A 63 11.841 6.889 -17.305 1.00 1.00 C +ATOM 962 C ALA A 63 12.778 5.702 -17.074 1.00 1.00 C +ATOM 963 O ALA A 63 13.173 5.025 -18.021 1.00 1.00 O +ATOM 964 CB ALA A 63 12.409 8.197 -16.750 1.00 1.00 C +ATOM 965 H ALA A 63 10.333 7.200 -15.901 1.00 1.00 H +ATOM 966 HA ALA A 63 11.672 7.007 -18.375 1.00 1.00 H +ATOM 967 HB1 ALA A 63 11.632 8.726 -16.198 1.00 1.00 H +ATOM 968 HB2 ALA A 63 13.243 7.976 -16.084 1.00 1.00 H +ATOM 969 HB3 ALA A 63 12.756 8.821 -17.575 1.00 1.00 H +ATOM 970 N SER A 64 13.106 5.486 -15.808 1.00 1.00 N +ATOM 971 CA SER A 64 13.989 4.392 -15.441 1.00 1.00 C +ATOM 972 C SER A 64 14.211 4.383 -13.927 1.00 1.00 C +ATOM 973 O SER A 64 14.022 3.360 -13.275 1.00 1.00 O +ATOM 974 CB SER A 64 15.329 4.496 -16.173 1.00 1.00 C +ATOM 975 OG SER A 64 15.959 5.756 -15.957 1.00 1.00 O +ATOM 976 H SER A 64 12.780 6.041 -15.044 1.00 1.00 H +ATOM 977 HA SER A 64 13.473 3.486 -15.757 1.00 1.00 H +ATOM 978 HB2 SER A 64 15.990 3.698 -15.836 1.00 1.00 H +ATOM 979 HB3 SER A 64 15.170 4.350 -17.241 1.00 1.00 H +ATOM 980 HG SER A 64 16.920 5.621 -15.717 1.00 1.00 H +ATOM 981 N ASP A 65 14.608 5.540 -13.414 1.00 1.00 N +ATOM 982 CA ASP A 65 14.857 5.678 -11.989 1.00 1.00 C +ATOM 983 C ASP A 65 13.530 5.590 -11.232 1.00 1.00 C +ATOM 984 O ASP A 65 13.497 5.181 -10.073 1.00 1.00 O +ATOM 985 CB ASP A 65 15.493 7.032 -11.671 1.00 1.00 C +ATOM 986 CG ASP A 65 16.529 7.011 -10.546 1.00 1.00 C +ATOM 987 OD1 ASP A 65 17.717 6.798 -10.872 1.00 1.00 O +ATOM 988 OD2 ASP A 65 16.111 7.209 -9.384 1.00 1.00 O +ATOM 989 H ASP A 65 14.758 6.369 -13.952 1.00 1.00 H +ATOM 990 HA ASP A 65 15.536 4.863 -11.736 1.00 1.00 H +ATOM 991 HB2 ASP A 65 15.967 7.415 -12.574 1.00 1.00 H +ATOM 992 HB3 ASP A 65 14.703 7.734 -11.403 1.00 1.00 H +ATOM 993 N GLY A 66 12.466 5.980 -11.921 1.00 1.00 N +ATOM 994 CA GLY A 66 11.140 5.950 -11.327 1.00 1.00 C +ATOM 995 C GLY A 66 10.298 7.133 -11.808 1.00 1.00 C +ATOM 996 O GLY A 66 9.081 7.148 -11.628 1.00 1.00 O +ATOM 997 H GLY A 66 12.500 6.310 -12.863 1.00 1.00 H +ATOM 998 HA2 GLY A 66 10.642 5.016 -11.589 1.00 1.00 H +ATOM 999 HA3 GLY A 66 11.222 5.974 -10.241 1.00 1.00 H +ATOM 1000 N LYS A 67 10.979 8.097 -12.410 1.00 1.00 N +ATOM 1001 CA LYS A 67 10.309 9.282 -12.918 1.00 1.00 C +ATOM 1002 C LYS A 67 9.198 8.862 -13.882 1.00 1.00 C +ATOM 1003 O LYS A 67 9.401 7.988 -14.725 1.00 1.00 O +ATOM 1004 CB LYS A 67 11.322 10.249 -13.532 1.00 1.00 C +ATOM 1005 CG LYS A 67 12.626 10.257 -12.732 1.00 1.00 C +ATOM 1006 CD LYS A 67 13.289 11.635 -12.776 1.00 1.00 C +ATOM 1007 CE LYS A 67 14.569 11.602 -13.614 1.00 1.00 C +ATOM 1008 NZ LYS A 67 15.625 12.423 -12.980 1.00 1.00 N +ATOM 1009 H LYS A 67 11.967 8.078 -12.553 1.00 1.00 H +ATOM 1010 HA LYS A 67 9.854 9.790 -12.067 1.00 1.00 H +ATOM 1011 HB2 LYS A 67 11.526 9.963 -14.563 1.00 1.00 H +ATOM 1012 HB3 LYS A 67 10.903 11.255 -13.557 1.00 1.00 H +ATOM 1013 HG2 LYS A 67 12.425 9.980 -11.697 1.00 1.00 H +ATOM 1014 HG3 LYS A 67 13.310 9.509 -13.135 1.00 1.00 H +ATOM 1015 HD2 LYS A 67 12.595 12.363 -13.195 1.00 1.00 H +ATOM 1016 HD3 LYS A 67 13.522 11.965 -11.764 1.00 1.00 H +ATOM 1017 HE2 LYS A 67 14.914 10.574 -13.721 1.00 1.00 H +ATOM 1018 HE3 LYS A 67 14.364 11.975 -14.617 1.00 1.00 H +ATOM 1019 HZ1 LYS A 67 15.252 13.320 -12.742 1.00 1.00 H +ATOM 1020 HZ2 LYS A 67 15.950 11.967 -12.153 1.00 1.00 H +ATOM 1021 HZ3 LYS A 67 16.387 12.537 -13.619 1.00 1.00 H +ATOM 1022 N LEU A 68 8.050 9.502 -13.728 1.00 1.00 N +ATOM 1023 CA LEU A 68 6.906 9.205 -14.574 1.00 1.00 C +ATOM 1024 C LEU A 68 6.748 10.314 -15.617 1.00 1.00 C +ATOM 1025 O LEU A 68 6.545 11.475 -15.267 1.00 1.00 O +ATOM 1026 CB LEU A 68 5.655 8.977 -13.724 1.00 1.00 C +ATOM 1027 CG LEU A 68 5.482 7.570 -13.149 1.00 1.00 C +ATOM 1028 CD1 LEU A 68 5.949 7.511 -11.694 1.00 1.00 C +ATOM 1029 CD2 LEU A 68 4.039 7.086 -13.308 1.00 1.00 C +ATOM 1030 H LEU A 68 7.893 10.212 -13.040 1.00 1.00 H +ATOM 1031 HA LEU A 68 7.119 8.271 -15.093 1.00 1.00 H +ATOM 1032 HB2 LEU A 68 5.667 9.687 -12.898 1.00 1.00 H +ATOM 1033 HB3 LEU A 68 4.780 9.210 -14.332 1.00 1.00 H +ATOM 1034 HG LEU A 68 6.115 6.888 -13.719 1.00 1.00 H +ATOM 1035 HD11 LEU A 68 6.040 8.524 -11.301 1.00 1.00 H +ATOM 1036 HD12 LEU A 68 5.223 6.956 -11.101 1.00 1.00 H +ATOM 1037 HD13 LEU A 68 6.918 7.013 -11.643 1.00 1.00 H +ATOM 1038 HD21 LEU A 68 3.361 7.936 -13.235 1.00 1.00 H +ATOM 1039 HD22 LEU A 68 3.921 6.609 -14.281 1.00 1.00 H +ATOM 1040 HD23 LEU A 68 3.808 6.367 -12.522 1.00 1.00 H +ATOM 1041 N TYR A 69 6.846 9.916 -16.877 1.00 1.00 N +ATOM 1042 CA TYR A 69 6.717 10.861 -17.973 1.00 1.00 C +ATOM 1043 C TYR A 69 5.737 10.345 -19.030 1.00 1.00 C +ATOM 1044 O TYR A 69 5.872 9.220 -19.508 1.00 1.00 O +ATOM 1045 CB TYR A 69 8.108 10.975 -18.598 1.00 1.00 C +ATOM 1046 CG TYR A 69 8.377 9.957 -19.708 1.00 1.00 C +ATOM 1047 CD1 TYR A 69 7.773 10.104 -20.941 1.00 1.00 C +ATOM 1048 CD2 TYR A 69 9.225 8.892 -19.478 1.00 1.00 C +ATOM 1049 CE1 TYR A 69 8.025 9.146 -21.986 1.00 1.00 C +ATOM 1050 CE2 TYR A 69 9.477 7.934 -20.523 1.00 1.00 C +ATOM 1051 CZ TYR A 69 8.865 8.108 -21.725 1.00 1.00 C +ATOM 1052 OH TYR A 69 9.104 7.204 -22.712 1.00 1.00 O +ATOM 1053 H TYR A 69 7.012 8.969 -17.153 1.00 1.00 H +ATOM 1054 HA TYR A 69 6.341 11.798 -17.565 1.00 1.00 H +ATOM 1055 HB2 TYR A 69 8.233 11.980 -19.003 1.00 1.00 H +ATOM 1056 HB3 TYR A 69 8.858 10.851 -17.818 1.00 1.00 H +ATOM 1057 HD1 TYR A 69 7.103 10.944 -21.123 1.00 1.00 H +ATOM 1058 HD2 TYR A 69 9.702 8.776 -18.505 1.00 1.00 H +ATOM 1059 HE1 TYR A 69 7.554 9.249 -22.963 1.00 1.00 H +ATOM 1060 HE2 TYR A 69 10.144 7.088 -20.354 1.00 1.00 H +ATOM 1061 HH TYR A 69 10.066 6.928 -22.698 1.00 1.00 H +ATOM 1062 N VAL A 70 4.773 11.192 -19.359 1.00 1.00 N +ATOM 1063 CA VAL A 70 3.771 10.836 -20.349 1.00 1.00 C +ATOM 1064 C VAL A 70 4.298 11.171 -21.745 1.00 1.00 C +ATOM 1065 O VAL A 70 3.931 10.522 -22.724 1.00 1.00 O +ATOM 1066 CB VAL A 70 2.447 11.532 -20.026 1.00 1.00 C +ATOM 1067 CG1 VAL A 70 1.305 10.951 -20.863 1.00 1.00 C +ATOM 1068 CG2 VAL A 70 2.131 11.444 -18.533 1.00 1.00 C +ATOM 1069 H VAL A 70 4.671 12.104 -18.963 1.00 1.00 H +ATOM 1070 HA VAL A 70 3.611 9.760 -20.283 1.00 1.00 H +ATOM 1071 HB VAL A 70 2.550 12.584 -20.287 1.00 1.00 H +ATOM 1072 HG11 VAL A 70 1.678 10.117 -21.459 1.00 1.00 H +ATOM 1073 HG12 VAL A 70 0.513 10.598 -20.203 1.00 1.00 H +ATOM 1074 HG13 VAL A 70 0.910 11.722 -21.525 1.00 1.00 H +ATOM 1075 HG21 VAL A 70 2.627 10.573 -18.106 1.00 1.00 H +ATOM 1076 HG22 VAL A 70 2.487 12.347 -18.034 1.00 1.00 H +ATOM 1077 HG23 VAL A 70 1.053 11.354 -18.394 1.00 1.00 H +ATOM 1078 N SER A 71 5.152 12.184 -21.794 1.00 1.00 N +ATOM 1079 CA SER A 71 5.732 12.613 -23.054 1.00 1.00 C +ATOM 1080 C SER A 71 7.243 12.362 -23.046 1.00 1.00 C +ATOM 1081 O SER A 71 7.709 11.348 -23.560 1.00 1.00 O +ATOM 1082 CB SER A 71 5.441 14.091 -23.320 1.00 1.00 C +ATOM 1083 OG SER A 71 6.104 14.564 -24.490 1.00 1.00 O +ATOM 1084 H SER A 71 5.445 12.706 -20.994 1.00 1.00 H +ATOM 1085 HA SER A 71 5.248 12.005 -23.818 1.00 1.00 H +ATOM 1086 HB2 SER A 71 4.366 14.234 -23.430 1.00 1.00 H +ATOM 1087 HB3 SER A 71 5.757 14.683 -22.461 1.00 1.00 H +ATOM 1088 HG SER A 71 5.445 14.988 -25.109 1.00 1.00 H +ATOM 1089 N SER A 72 7.963 13.305 -22.456 1.00 1.00 N +ATOM 1090 CA SER A 72 9.409 13.198 -22.375 1.00 1.00 C +ATOM 1091 C SER A 72 9.998 14.490 -21.801 1.00 1.00 C +ATOM 1092 O SER A 72 10.915 14.448 -20.985 1.00 1.00 O +ATOM 1093 CB SER A 72 10.019 12.902 -23.747 1.00 1.00 C +ATOM 1094 OG SER A 72 9.445 13.708 -24.771 1.00 1.00 O +ATOM 1095 H SER A 72 7.575 14.126 -22.039 1.00 1.00 H +ATOM 1096 HA SER A 72 9.600 12.360 -21.704 1.00 1.00 H +ATOM 1097 HB2 SER A 72 11.095 13.074 -23.709 1.00 1.00 H +ATOM 1098 HB3 SER A 72 9.871 11.849 -23.988 1.00 1.00 H +ATOM 1099 HG SER A 72 9.908 13.539 -25.641 1.00 1.00 H +ATOM 1100 N GLU A 73 9.443 15.605 -22.251 1.00 1.00 N +ATOM 1101 CA GLU A 73 9.901 16.905 -21.793 1.00 1.00 C +ATOM 1102 C GLU A 73 9.148 17.318 -20.527 1.00 1.00 C +ATOM 1103 O GLU A 73 9.449 18.350 -19.930 1.00 1.00 O +ATOM 1104 CB GLU A 73 9.746 17.960 -22.891 1.00 1.00 C +ATOM 1105 CG GLU A 73 11.045 18.746 -23.085 1.00 1.00 C +ATOM 1106 CD GLU A 73 11.029 19.514 -24.409 1.00 1.00 C +ATOM 1107 OE1 GLU A 73 10.544 18.926 -25.399 1.00 1.00 O +ATOM 1108 OE2 GLU A 73 11.501 20.671 -24.400 1.00 1.00 O +ATOM 1109 H GLU A 73 8.696 15.630 -22.916 1.00 1.00 H +ATOM 1110 HA GLU A 73 10.959 16.778 -21.568 1.00 1.00 H +ATOM 1111 HB2 GLU A 73 9.465 17.477 -23.827 1.00 1.00 H +ATOM 1112 HB3 GLU A 73 8.938 18.644 -22.632 1.00 1.00 H +ATOM 1113 HG2 GLU A 73 11.179 19.443 -22.258 1.00 1.00 H +ATOM 1114 HG3 GLU A 73 11.892 18.062 -23.068 1.00 1.00 H +ATOM 1115 N SER A 74 8.182 16.491 -20.155 1.00 1.00 N +ATOM 1116 CA SER A 74 7.383 16.755 -18.971 1.00 1.00 C +ATOM 1117 C SER A 74 7.406 15.541 -18.041 1.00 1.00 C +ATOM 1118 O SER A 74 6.357 15.004 -17.689 1.00 1.00 O +ATOM 1119 CB SER A 74 5.943 17.110 -19.347 1.00 1.00 C +ATOM 1120 OG SER A 74 5.869 17.791 -20.596 1.00 1.00 O +ATOM 1121 H SER A 74 7.944 15.653 -20.647 1.00 1.00 H +ATOM 1122 HA SER A 74 7.854 17.614 -18.491 1.00 1.00 H +ATOM 1123 HB2 SER A 74 5.346 16.199 -19.394 1.00 1.00 H +ATOM 1124 HB3 SER A 74 5.507 17.735 -18.567 1.00 1.00 H +ATOM 1125 HG SER A 74 5.786 17.130 -21.342 1.00 1.00 H +ATOM 1126 N ARG A 75 8.613 15.143 -17.670 1.00 1.00 N +ATOM 1127 CA ARG A 75 8.788 14.001 -16.788 1.00 1.00 C +ATOM 1128 C ARG A 75 8.515 14.406 -15.336 1.00 1.00 C +ATOM 1129 O ARG A 75 8.694 15.565 -14.967 1.00 1.00 O +ATOM 1130 CB ARG A 75 10.204 13.434 -16.894 1.00 1.00 C +ATOM 1131 CG ARG A 75 10.908 13.950 -18.149 1.00 1.00 C +ATOM 1132 CD ARG A 75 12.004 12.981 -18.601 1.00 1.00 C +ATOM 1133 NE ARG A 75 12.892 13.641 -19.583 1.00 1.00 N +ATOM 1134 CZ ARG A 75 13.639 12.986 -20.481 1.00 1.00 C +ATOM 1135 NH1 ARG A 75 13.610 11.647 -20.527 1.00 1.00 N +ATOM 1136 NH2 ARG A 75 14.416 13.668 -21.333 1.00 1.00 N +ATOM 1137 H ARG A 75 9.462 15.586 -17.960 1.00 1.00 H +ATOM 1138 HA ARG A 75 8.059 13.269 -17.133 1.00 1.00 H +ATOM 1139 HB2 ARG A 75 10.778 13.711 -16.010 1.00 1.00 H +ATOM 1140 HB3 ARG A 75 10.162 12.344 -16.916 1.00 1.00 H +ATOM 1141 HG2 ARG A 75 10.180 14.080 -18.952 1.00 1.00 H +ATOM 1142 HG3 ARG A 75 11.343 14.929 -17.951 1.00 1.00 H +ATOM 1143 HD2 ARG A 75 12.583 12.647 -17.741 1.00 1.00 H +ATOM 1144 HD3 ARG A 75 11.553 12.093 -19.046 1.00 1.00 H +ATOM 1145 HE ARG A 75 12.936 14.640 -19.575 1.00 1.00 H +ATOM 1146 HH11 ARG A 75 13.030 11.137 -19.892 1.00 1.00 H +ATOM 1147 HH12 ARG A 75 14.168 11.158 -21.198 1.00 1.00 H +ATOM 1148 HH21 ARG A 75 14.437 14.669 -21.298 1.00 1.00 H +ATOM 1149 HH22 ARG A 75 14.974 13.181 -22.004 1.00 1.00 H +ATOM 1150 N PHE A 76 8.086 13.427 -14.554 1.00 1.00 N +ATOM 1151 CA PHE A 76 7.787 13.667 -13.152 1.00 1.00 C +ATOM 1152 C PHE A 76 8.329 12.535 -12.275 1.00 1.00 C +ATOM 1153 O PHE A 76 8.857 11.548 -12.786 1.00 1.00 O +ATOM 1154 CB PHE A 76 6.264 13.712 -13.021 1.00 1.00 C +ATOM 1155 CG PHE A 76 5.585 14.691 -13.982 1.00 1.00 C +ATOM 1156 CD1 PHE A 76 5.488 16.007 -13.655 1.00 1.00 C +ATOM 1157 CD2 PHE A 76 5.081 14.245 -15.164 1.00 1.00 C +ATOM 1158 CE1 PHE A 76 4.859 16.916 -14.548 1.00 1.00 C +ATOM 1159 CE2 PHE A 76 4.452 15.153 -16.056 1.00 1.00 C +ATOM 1160 CZ PHE A 76 4.355 16.469 -15.729 1.00 1.00 C +ATOM 1161 H PHE A 76 7.943 12.486 -14.861 1.00 1.00 H +ATOM 1162 HA PHE A 76 8.271 14.603 -12.873 1.00 1.00 H +ATOM 1163 HB2 PHE A 76 5.863 12.713 -13.194 1.00 1.00 H +ATOM 1164 HB3 PHE A 76 6.005 13.986 -11.998 1.00 1.00 H +ATOM 1165 HD1 PHE A 76 5.892 16.365 -12.709 1.00 1.00 H +ATOM 1166 HD2 PHE A 76 5.159 13.189 -15.425 1.00 1.00 H +ATOM 1167 HE1 PHE A 76 4.780 17.971 -14.286 1.00 1.00 H +ATOM 1168 HE2 PHE A 76 4.047 14.794 -17.003 1.00 1.00 H +ATOM 1169 HZ PHE A 76 3.872 17.166 -16.414 1.00 1.00 H +ATOM 1170 N ASN A 77 8.177 12.717 -10.972 1.00 1.00 N +ATOM 1171 CA ASN A 77 8.645 11.723 -10.019 1.00 1.00 C +ATOM 1172 C ASN A 77 7.448 11.151 -9.257 1.00 1.00 C +ATOM 1173 O ASN A 77 7.468 9.994 -8.838 1.00 1.00 O +ATOM 1174 CB ASN A 77 9.600 12.345 -9.000 1.00 1.00 C +ATOM 1175 CG ASN A 77 11.011 12.476 -9.579 1.00 1.00 C +ATOM 1176 OD1 ASN A 77 11.875 11.639 -9.373 1.00 1.00 O +ATOM 1177 ND2 ASN A 77 11.195 13.567 -10.314 1.00 1.00 N +ATOM 1178 H ASN A 77 7.746 13.522 -10.565 1.00 1.00 H +ATOM 1179 HA ASN A 77 9.156 10.970 -10.618 1.00 1.00 H +ATOM 1180 HB2 ASN A 77 9.233 13.327 -8.702 1.00 1.00 H +ATOM 1181 HB3 ASN A 77 9.628 11.730 -8.100 1.00 1.00 H +ATOM 1182 HD21 ASN A 77 10.444 14.215 -10.445 1.00 1.00 H +ATOM 1183 HD22 ASN A 77 12.085 13.743 -10.737 1.00 1.00 H +ATOM 1184 N THR A 78 6.433 11.988 -9.098 1.00 1.00 N +ATOM 1185 CA THR A 78 5.229 11.581 -8.394 1.00 1.00 C +ATOM 1186 C THR A 78 4.010 11.687 -9.314 1.00 1.00 C +ATOM 1187 O THR A 78 3.838 12.687 -10.009 1.00 1.00 O +ATOM 1188 CB THR A 78 5.111 12.432 -7.128 1.00 1.00 C +ATOM 1189 OG1 THR A 78 5.728 11.639 -6.118 1.00 1.00 O +ATOM 1190 CG2 THR A 78 3.664 12.579 -6.654 1.00 1.00 C +ATOM 1191 H THR A 78 6.424 12.928 -9.441 1.00 1.00 H +ATOM 1192 HA THR A 78 5.332 10.531 -8.119 1.00 1.00 H +ATOM 1193 HB THR A 78 5.575 13.408 -7.271 1.00 1.00 H +ATOM 1194 HG1 THR A 78 5.077 11.454 -5.383 1.00 1.00 H +ATOM 1195 HG21 THR A 78 3.150 11.623 -6.753 1.00 1.00 H +ATOM 1196 HG22 THR A 78 3.653 12.891 -5.610 1.00 1.00 H +ATOM 1197 HG23 THR A 78 3.156 13.327 -7.262 1.00 1.00 H +ATOM 1198 N LEU A 79 3.196 10.642 -9.286 1.00 1.00 N +ATOM 1199 CA LEU A 79 1.999 10.605 -10.109 1.00 1.00 C +ATOM 1200 C LEU A 79 1.295 11.961 -10.038 1.00 1.00 C +ATOM 1201 O LEU A 79 0.707 12.411 -11.020 1.00 1.00 O +ATOM 1202 CB LEU A 79 1.109 9.427 -9.707 1.00 1.00 C +ATOM 1203 CG LEU A 79 1.502 8.063 -10.278 1.00 1.00 C +ATOM 1204 CD1 LEU A 79 2.995 7.794 -10.079 1.00 1.00 C +ATOM 1205 CD2 LEU A 79 0.635 6.950 -9.686 1.00 1.00 C +ATOM 1206 H LEU A 79 3.344 9.832 -8.718 1.00 1.00 H +ATOM 1207 HA LEU A 79 2.315 10.433 -11.138 1.00 1.00 H +ATOM 1208 HB2 LEU A 79 1.104 9.355 -8.620 1.00 1.00 H +ATOM 1209 HB3 LEU A 79 0.088 9.648 -10.016 1.00 1.00 H +ATOM 1210 HG LEU A 79 1.318 8.078 -11.353 1.00 1.00 H +ATOM 1211 HD11 LEU A 79 3.569 8.653 -10.429 1.00 1.00 H +ATOM 1212 HD12 LEU A 79 3.196 7.631 -9.021 1.00 1.00 H +ATOM 1213 HD13 LEU A 79 3.284 6.910 -10.646 1.00 1.00 H +ATOM 1214 HD21 LEU A 79 -0.123 7.388 -9.037 1.00 1.00 H +ATOM 1215 HD22 LEU A 79 0.149 6.400 -10.493 1.00 1.00 H +ATOM 1216 HD23 LEU A 79 1.262 6.271 -9.107 1.00 1.00 H +ATOM 1217 N ALA A 80 1.377 12.574 -8.866 1.00 1.00 N +ATOM 1218 CA ALA A 80 0.754 13.869 -8.655 1.00 1.00 C +ATOM 1219 C ALA A 80 1.399 14.898 -9.585 1.00 1.00 C +ATOM 1220 O ALA A 80 0.744 15.420 -10.487 1.00 1.00 O +ATOM 1221 CB ALA A 80 0.876 14.259 -7.180 1.00 1.00 C +ATOM 1222 H ALA A 80 1.856 12.199 -8.072 1.00 1.00 H +ATOM 1223 HA ALA A 80 -0.302 13.775 -8.905 1.00 1.00 H +ATOM 1224 HB1 ALA A 80 0.840 13.362 -6.561 1.00 1.00 H +ATOM 1225 HB2 ALA A 80 1.825 14.773 -7.017 1.00 1.00 H +ATOM 1226 HB3 ALA A 80 0.054 14.920 -6.909 1.00 1.00 H +ATOM 1227 N GLU A 81 2.673 15.159 -9.335 1.00 1.00 N +ATOM 1228 CA GLU A 81 3.413 16.117 -10.139 1.00 1.00 C +ATOM 1229 C GLU A 81 3.109 15.909 -11.624 1.00 1.00 C +ATOM 1230 O GLU A 81 3.233 16.837 -12.422 1.00 1.00 O +ATOM 1231 CB GLU A 81 4.916 16.017 -9.867 1.00 1.00 C +ATOM 1232 CG GLU A 81 5.411 17.229 -9.077 1.00 1.00 C +ATOM 1233 CD GLU A 81 5.766 16.839 -7.641 1.00 1.00 C +ATOM 1234 OE1 GLU A 81 5.041 15.985 -7.088 1.00 1.00 O +ATOM 1235 OE2 GLU A 81 6.756 17.404 -7.126 1.00 1.00 O +ATOM 1236 H GLU A 81 3.198 14.731 -8.599 1.00 1.00 H +ATOM 1237 HA GLU A 81 3.057 17.098 -9.822 1.00 1.00 H +ATOM 1238 HB2 GLU A 81 5.128 15.103 -9.311 1.00 1.00 H +ATOM 1239 HB3 GLU A 81 5.455 15.948 -10.811 1.00 1.00 H +ATOM 1240 HG2 GLU A 81 6.286 17.655 -9.569 1.00 1.00 H +ATOM 1241 HG3 GLU A 81 4.642 18.000 -9.067 1.00 1.00 H +ATOM 1242 N LEU A 82 2.717 14.685 -11.950 1.00 1.00 N +ATOM 1243 CA LEU A 82 2.396 14.344 -13.325 1.00 1.00 C +ATOM 1244 C LEU A 82 1.056 14.980 -13.703 1.00 1.00 C +ATOM 1245 O LEU A 82 0.995 15.822 -14.597 1.00 1.00 O +ATOM 1246 CB LEU A 82 2.436 12.828 -13.524 1.00 1.00 C +ATOM 1247 CG LEU A 82 2.380 12.340 -14.973 1.00 1.00 C +ATOM 1248 CD1 LEU A 82 3.298 11.134 -15.181 1.00 1.00 C +ATOM 1249 CD2 LEU A 82 0.940 12.043 -15.397 1.00 1.00 C +ATOM 1250 H LEU A 82 2.621 13.937 -11.295 1.00 1.00 H +ATOM 1251 HA LEU A 82 3.173 14.772 -13.959 1.00 1.00 H +ATOM 1252 HB2 LEU A 82 3.350 12.446 -13.068 1.00 1.00 H +ATOM 1253 HB3 LEU A 82 1.600 12.387 -12.980 1.00 1.00 H +ATOM 1254 HG LEU A 82 2.747 13.140 -15.617 1.00 1.00 H +ATOM 1255 HD11 LEU A 82 3.046 10.356 -14.461 1.00 1.00 H +ATOM 1256 HD12 LEU A 82 3.168 10.749 -16.192 1.00 1.00 H +ATOM 1257 HD13 LEU A 82 4.336 11.439 -15.039 1.00 1.00 H +ATOM 1258 HD21 LEU A 82 0.311 12.906 -15.175 1.00 1.00 H +ATOM 1259 HD22 LEU A 82 0.910 11.839 -16.466 1.00 1.00 H +ATOM 1260 HD23 LEU A 82 0.572 11.176 -14.850 1.00 1.00 H +ATOM 1261 N VAL A 83 0.016 14.550 -13.003 1.00 1.00 N +ATOM 1262 CA VAL A 83 -1.319 15.065 -13.254 1.00 1.00 C +ATOM 1263 C VAL A 83 -1.325 16.581 -13.037 1.00 1.00 C +ATOM 1264 O VAL A 83 -1.998 17.312 -13.761 1.00 1.00 O +ATOM 1265 CB VAL A 83 -2.336 14.331 -12.379 1.00 1.00 C +ATOM 1266 CG1 VAL A 83 -2.916 15.263 -11.312 1.00 1.00 C +ATOM 1267 CG2 VAL A 83 -3.447 13.714 -13.230 1.00 1.00 C +ATOM 1268 H VAL A 83 0.075 13.864 -12.277 1.00 1.00 H +ATOM 1269 HA VAL A 83 -1.561 14.860 -14.297 1.00 1.00 H +ATOM 1270 HB VAL A 83 -1.817 13.521 -11.867 1.00 1.00 H +ATOM 1271 HG11 VAL A 83 -2.963 16.280 -11.704 1.00 1.00 H +ATOM 1272 HG12 VAL A 83 -3.919 14.930 -11.045 1.00 1.00 H +ATOM 1273 HG13 VAL A 83 -2.279 15.244 -10.427 1.00 1.00 H +ATOM 1274 HG21 VAL A 83 -3.103 13.614 -14.259 1.00 1.00 H +ATOM 1275 HG22 VAL A 83 -3.703 12.730 -12.836 1.00 1.00 H +ATOM 1276 HG23 VAL A 83 -4.328 14.356 -13.200 1.00 1.00 H +ATOM 1277 N HIS A 84 -0.568 17.005 -12.035 1.00 1.00 N +ATOM 1278 CA HIS A 84 -0.478 18.419 -11.713 1.00 1.00 C +ATOM 1279 C HIS A 84 -0.178 19.217 -12.984 1.00 1.00 C +ATOM 1280 O HIS A 84 -0.993 20.029 -13.419 1.00 1.00 O +ATOM 1281 CB HIS A 84 0.550 18.659 -10.605 1.00 1.00 C +ATOM 1282 CG HIS A 84 -0.041 19.205 -9.327 1.00 1.00 C +ATOM 1283 ND1 HIS A 84 -1.362 19.003 -8.966 1.00 1.00 N +ATOM 1284 CD2 HIS A 84 0.522 19.945 -8.330 1.00 1.00 C +ATOM 1285 CE1 HIS A 84 -1.574 19.600 -7.802 1.00 1.00 C +ATOM 1286 NE2 HIS A 84 -0.406 20.185 -7.409 1.00 1.00 N +ATOM 1287 H HIS A 84 -0.024 16.403 -11.452 1.00 1.00 H +ATOM 1288 HA HIS A 84 -1.455 18.714 -11.330 1.00 1.00 H +ATOM 1289 HB2 HIS A 84 1.059 17.721 -10.387 1.00 1.00 H +ATOM 1290 HB3 HIS A 84 1.305 19.355 -10.970 1.00 1.00 H +ATOM 1291 HD1 HIS A 84 -2.041 18.493 -9.494 1.00 1.00 H +ATOM 1292 HD2 HIS A 84 1.557 20.284 -8.295 1.00 1.00 H +ATOM 1293 HE1 HIS A 84 -2.516 19.621 -7.255 1.00 1.00 H +ATOM 1294 N HIS A 85 0.994 18.957 -13.544 1.00 1.00 N +ATOM 1295 CA HIS A 85 1.413 19.640 -14.755 1.00 1.00 C +ATOM 1296 C HIS A 85 0.376 19.412 -15.857 1.00 1.00 C +ATOM 1297 O HIS A 85 0.014 20.342 -16.577 1.00 1.00 O +ATOM 1298 CB HIS A 85 2.821 19.206 -15.166 1.00 1.00 C +ATOM 1299 CG HIS A 85 3.172 19.533 -16.598 1.00 1.00 C +ATOM 1300 ND1 HIS A 85 3.661 20.767 -16.987 1.00 1.00 N +ATOM 1301 CD2 HIS A 85 3.098 18.774 -17.729 1.00 1.00 C +ATOM 1302 CE1 HIS A 85 3.870 20.742 -18.295 1.00 1.00 C +ATOM 1303 NE2 HIS A 85 3.519 19.505 -18.753 1.00 1.00 N +ATOM 1304 H HIS A 85 1.653 18.294 -13.184 1.00 1.00 H +ATOM 1305 HA HIS A 85 1.448 20.703 -14.519 1.00 1.00 H +ATOM 1306 HB2 HIS A 85 3.545 19.686 -14.508 1.00 1.00 H +ATOM 1307 HB3 HIS A 85 2.916 18.131 -15.016 1.00 1.00 H +ATOM 1308 HD1 HIS A 85 3.830 21.546 -16.384 1.00 1.00 H +ATOM 1309 HD2 HIS A 85 2.752 17.742 -17.782 1.00 1.00 H +ATOM 1310 HE1 HIS A 85 4.254 21.564 -18.899 1.00 1.00 H +ATOM 1311 N HIS A 86 -0.071 18.169 -15.954 1.00 1.00 N +ATOM 1312 CA HIS A 86 -1.059 17.806 -16.957 1.00 1.00 C +ATOM 1313 C HIS A 86 -2.409 18.433 -16.601 1.00 1.00 C +ATOM 1314 O HIS A 86 -3.389 18.259 -17.321 1.00 1.00 O +ATOM 1315 CB HIS A 86 -1.138 16.286 -17.117 1.00 1.00 C +ATOM 1316 CG HIS A 86 0.058 15.681 -17.815 1.00 1.00 C +ATOM 1317 ND1 HIS A 86 0.799 16.365 -18.763 1.00 1.00 N +ATOM 1318 CD2 HIS A 86 0.631 14.450 -17.693 1.00 1.00 C +ATOM 1319 CE1 HIS A 86 1.772 15.571 -19.184 1.00 1.00 C +ATOM 1320 NE2 HIS A 86 1.667 14.384 -18.521 1.00 1.00 N +ATOM 1321 H HIS A 86 0.228 17.419 -15.365 1.00 1.00 H +ATOM 1322 HA HIS A 86 -0.714 18.222 -17.902 1.00 1.00 H +ATOM 1323 HB2 HIS A 86 -1.239 15.831 -16.132 1.00 1.00 H +ATOM 1324 HB3 HIS A 86 -2.037 16.036 -17.678 1.00 1.00 H +ATOM 1325 HD1 HIS A 86 0.630 17.299 -19.075 1.00 1.00 H +ATOM 1326 HD2 HIS A 86 0.296 13.653 -17.027 1.00 1.00 H +ATOM 1327 HE1 HIS A 86 2.526 15.823 -19.931 1.00 1.00 H +ATOM 1328 N SER A 87 -2.413 19.153 -15.487 1.00 1.00 N +ATOM 1329 CA SER A 87 -3.625 19.809 -15.025 1.00 1.00 C +ATOM 1330 C SER A 87 -3.822 21.130 -15.771 1.00 1.00 C +ATOM 1331 O SER A 87 -4.953 21.523 -16.054 1.00 1.00 O +ATOM 1332 CB SER A 87 -3.577 20.053 -13.516 1.00 1.00 C +ATOM 1333 OG SER A 87 -4.881 20.198 -12.957 1.00 1.00 O +ATOM 1334 H SER A 87 -1.611 19.291 -14.907 1.00 1.00 H +ATOM 1335 HA SER A 87 -4.434 19.114 -15.254 1.00 1.00 H +ATOM 1336 HB2 SER A 87 -3.066 19.222 -13.030 1.00 1.00 H +ATOM 1337 HB3 SER A 87 -2.995 20.951 -13.312 1.00 1.00 H +ATOM 1338 HG SER A 87 -4.872 19.931 -11.993 1.00 1.00 H +ATOM 1339 N THR A 88 -2.706 21.777 -16.068 1.00 1.00 N +ATOM 1340 CA THR A 88 -2.742 23.045 -16.777 1.00 1.00 C +ATOM 1341 C THR A 88 -2.073 22.912 -18.145 1.00 1.00 C +ATOM 1342 O THR A 88 -2.457 23.588 -19.097 1.00 1.00 O +ATOM 1343 CB THR A 88 -2.093 24.104 -15.883 1.00 1.00 C +ATOM 1344 OG1 THR A 88 -2.166 25.300 -16.653 1.00 1.00 O +ATOM 1345 CG2 THR A 88 -0.592 23.872 -15.698 1.00 1.00 C +ATOM 1346 H THR A 88 -1.791 21.449 -15.835 1.00 1.00 H +ATOM 1347 HA THR A 88 -3.785 23.309 -16.955 1.00 1.00 H +ATOM 1348 HB THR A 88 -2.599 24.165 -14.920 1.00 1.00 H +ATOM 1349 HG1 THR A 88 -2.981 25.285 -17.231 1.00 1.00 H +ATOM 1350 HG21 THR A 88 -0.114 23.786 -16.673 1.00 1.00 H +ATOM 1351 HG22 THR A 88 -0.159 24.712 -15.155 1.00 1.00 H +ATOM 1352 HG23 THR A 88 -0.432 22.955 -15.131 1.00 1.00 H +ATOM 1353 N VAL A 89 -1.082 22.032 -18.201 1.00 1.00 N +ATOM 1354 CA VAL A 89 -0.356 21.801 -19.438 1.00 1.00 C +ATOM 1355 C VAL A 89 -0.262 20.295 -19.696 1.00 1.00 C +ATOM 1356 O VAL A 89 0.728 19.661 -19.335 1.00 1.00 O +ATOM 1357 CB VAL A 89 1.012 22.483 -19.376 1.00 1.00 C +ATOM 1358 CG1 VAL A 89 1.879 22.080 -20.570 1.00 1.00 C +ATOM 1359 CG2 VAL A 89 0.864 24.004 -19.294 1.00 1.00 C +ATOM 1360 H VAL A 89 -0.777 21.485 -17.422 1.00 1.00 H +ATOM 1361 HA VAL A 89 -0.925 22.260 -20.245 1.00 1.00 H +ATOM 1362 HB VAL A 89 1.515 22.146 -18.469 1.00 1.00 H +ATOM 1363 HG11 VAL A 89 1.891 20.994 -20.661 1.00 1.00 H +ATOM 1364 HG12 VAL A 89 1.471 22.516 -21.481 1.00 1.00 H +ATOM 1365 HG13 VAL A 89 2.898 22.442 -20.419 1.00 1.00 H +ATOM 1366 HG21 VAL A 89 -0.031 24.251 -18.723 1.00 1.00 H +ATOM 1367 HG22 VAL A 89 1.740 24.427 -18.801 1.00 1.00 H +ATOM 1368 HG23 VAL A 89 0.779 24.415 -20.300 1.00 1.00 H +ATOM 1369 N ALA A 90 -1.307 19.768 -20.316 1.00 1.00 N +ATOM 1370 CA ALA A 90 -1.356 18.349 -20.627 1.00 1.00 C +ATOM 1371 C ALA A 90 -0.347 18.039 -21.734 1.00 1.00 C +ATOM 1372 O ALA A 90 -0.731 17.679 -22.845 1.00 1.00 O +ATOM 1373 CB ALA A 90 -2.784 17.960 -21.012 1.00 1.00 C +ATOM 1374 H ALA A 90 -2.109 20.292 -20.605 1.00 1.00 H +ATOM 1375 HA ALA A 90 -1.075 17.803 -19.726 1.00 1.00 H +ATOM 1376 HB1 ALA A 90 -3.487 18.652 -20.552 1.00 1.00 H +ATOM 1377 HB2 ALA A 90 -2.891 18.000 -22.096 1.00 1.00 H +ATOM 1378 HB3 ALA A 90 -2.990 16.947 -20.665 1.00 1.00 H +ATOM 1379 N ASP A 91 0.925 18.189 -21.393 1.00 1.00 N +ATOM 1380 CA ASP A 91 1.992 17.930 -22.343 1.00 1.00 C +ATOM 1381 C ASP A 91 2.228 16.422 -22.438 1.00 1.00 C +ATOM 1382 O ASP A 91 3.368 15.975 -22.564 1.00 1.00 O +ATOM 1383 CB ASP A 91 3.299 18.587 -21.897 1.00 1.00 C +ATOM 1384 CG ASP A 91 3.511 20.015 -22.406 1.00 1.00 C +ATOM 1385 OD1 ASP A 91 3.056 20.289 -23.536 1.00 1.00 O +ATOM 1386 OD2 ASP A 91 4.124 20.800 -21.651 1.00 1.00 O +ATOM 1387 H ASP A 91 1.229 18.482 -20.486 1.00 1.00 H +ATOM 1388 HA ASP A 91 1.646 18.357 -23.284 1.00 1.00 H +ATOM 1389 HB2 ASP A 91 3.330 18.597 -20.808 1.00 1.00 H +ATOM 1390 HB3 ASP A 91 4.131 17.970 -22.235 1.00 1.00 H +ATOM 1391 N GLY A 92 1.133 15.677 -22.372 1.00 1.00 N +ATOM 1392 CA GLY A 92 1.209 14.228 -22.449 1.00 1.00 C +ATOM 1393 C GLY A 92 -0.180 13.616 -22.644 1.00 1.00 C +ATOM 1394 O GLY A 92 -0.448 12.989 -23.667 1.00 1.00 O +ATOM 1395 H GLY A 92 0.212 16.048 -22.268 1.00 1.00 H +ATOM 1396 HA2 GLY A 92 1.857 13.937 -23.275 1.00 1.00 H +ATOM 1397 HA3 GLY A 92 1.659 13.835 -21.537 1.00 1.00 H +ATOM 1398 N LEU A 93 -1.027 13.822 -21.646 1.00 1.00 N +ATOM 1399 CA LEU A 93 -2.382 13.299 -21.696 1.00 1.00 C +ATOM 1400 C LEU A 93 -3.199 14.106 -22.705 1.00 1.00 C +ATOM 1401 O LEU A 93 -3.014 15.316 -22.834 1.00 1.00 O +ATOM 1402 CB LEU A 93 -2.995 13.268 -20.293 1.00 1.00 C +ATOM 1403 CG LEU A 93 -2.039 13.561 -19.136 1.00 1.00 C +ATOM 1404 CD1 LEU A 93 -2.767 13.499 -17.793 1.00 1.00 C +ATOM 1405 CD2 LEU A 93 -0.828 12.628 -19.175 1.00 1.00 C +ATOM 1406 H LEU A 93 -0.802 14.334 -20.817 1.00 1.00 H +ATOM 1407 HA LEU A 93 -2.321 12.269 -22.043 1.00 1.00 H +ATOM 1408 HB2 LEU A 93 -3.809 13.991 -20.258 1.00 1.00 H +ATOM 1409 HB3 LEU A 93 -3.436 12.284 -20.133 1.00 1.00 H +ATOM 1410 HG LEU A 93 -1.665 14.579 -19.252 1.00 1.00 H +ATOM 1411 HD11 LEU A 93 -3.540 12.732 -17.834 1.00 1.00 H +ATOM 1412 HD12 LEU A 93 -2.056 13.257 -17.004 1.00 1.00 H +ATOM 1413 HD13 LEU A 93 -3.227 14.466 -17.583 1.00 1.00 H +ATOM 1414 HD21 LEU A 93 -1.039 11.785 -19.833 1.00 1.00 H +ATOM 1415 HD22 LEU A 93 0.039 13.172 -19.547 1.00 1.00 H +ATOM 1416 HD23 LEU A 93 -0.621 12.259 -18.170 1.00 1.00 H +ATOM 1417 N ILE A 94 -4.086 13.406 -23.397 1.00 1.00 N +ATOM 1418 CA ILE A 94 -4.931 14.042 -24.392 1.00 1.00 C +ATOM 1419 C ILE A 94 -5.710 15.185 -23.737 1.00 1.00 C +ATOM 1420 O ILE A 94 -5.356 16.353 -23.897 1.00 1.00 O +ATOM 1421 CB ILE A 94 -5.824 13.005 -25.078 1.00 1.00 C +ATOM 1422 CG1 ILE A 94 -7.083 13.658 -25.649 1.00 1.00 C +ATOM 1423 CG2 ILE A 94 -6.157 11.853 -24.127 1.00 1.00 C +ATOM 1424 CD1 ILE A 94 -8.340 13.126 -24.956 1.00 1.00 C +ATOM 1425 H ILE A 94 -4.230 12.422 -23.286 1.00 1.00 H +ATOM 1426 HA ILE A 94 -4.278 14.461 -25.156 1.00 1.00 H +ATOM 1427 HB ILE A 94 -5.272 12.581 -25.917 1.00 1.00 H +ATOM 1428 HG12 ILE A 94 -7.026 14.740 -25.524 1.00 1.00 H +ATOM 1429 HG13 ILE A 94 -7.145 13.464 -26.720 1.00 1.00 H +ATOM 1430 HG21 ILE A 94 -6.318 12.244 -23.124 1.00 1.00 H +ATOM 1431 HG22 ILE A 94 -7.060 11.348 -24.471 1.00 1.00 H +ATOM 1432 HG23 ILE A 94 -5.329 11.144 -24.112 1.00 1.00 H +ATOM 1433 HD11 ILE A 94 -8.117 12.917 -23.910 1.00 1.00 H +ATOM 1434 HD12 ILE A 94 -9.132 13.872 -25.017 1.00 1.00 H +ATOM 1435 HD13 ILE A 94 -8.666 12.210 -25.449 1.00 1.00 H +ATOM 1436 N THR A 95 -6.755 14.810 -23.014 1.00 1.00 N +ATOM 1437 CA THR A 95 -7.584 15.791 -22.335 1.00 1.00 C +ATOM 1438 C THR A 95 -6.912 16.255 -21.042 1.00 1.00 C +ATOM 1439 O THR A 95 -5.690 16.197 -20.918 1.00 1.00 O +ATOM 1440 CB THR A 95 -8.965 15.169 -22.113 1.00 1.00 C +ATOM 1441 OG1 THR A 95 -9.842 16.289 -22.040 1.00 1.00 O +ATOM 1442 CG2 THR A 95 -9.093 14.503 -20.741 1.00 1.00 C +ATOM 1443 H THR A 95 -7.035 13.860 -22.889 1.00 1.00 H +ATOM 1444 HA THR A 95 -7.678 16.666 -22.978 1.00 1.00 H +ATOM 1445 HB THR A 95 -9.208 14.466 -22.911 1.00 1.00 H +ATOM 1446 HG1 THR A 95 -9.314 17.134 -21.975 1.00 1.00 H +ATOM 1447 HG21 THR A 95 -8.104 14.388 -20.299 1.00 1.00 H +ATOM 1448 HG22 THR A 95 -9.711 15.125 -20.093 1.00 1.00 H +ATOM 1449 HG23 THR A 95 -9.558 13.524 -20.854 1.00 1.00 H +ATOM 1450 N THR A 96 -7.741 16.704 -20.110 1.00 1.00 N +ATOM 1451 CA THR A 96 -7.242 17.178 -18.830 1.00 1.00 C +ATOM 1452 C THR A 96 -8.034 16.549 -17.683 1.00 1.00 C +ATOM 1453 O THR A 96 -9.068 15.921 -17.908 1.00 1.00 O +ATOM 1454 CB THR A 96 -7.294 18.707 -18.839 1.00 1.00 C +ATOM 1455 OG1 THR A 96 -8.212 19.028 -17.798 1.00 1.00 O +ATOM 1456 CG2 THR A 96 -7.955 19.263 -20.102 1.00 1.00 C +ATOM 1457 H THR A 96 -8.733 16.747 -20.219 1.00 1.00 H +ATOM 1458 HA THR A 96 -6.207 16.851 -18.723 1.00 1.00 H +ATOM 1459 HB THR A 96 -6.300 19.131 -18.699 1.00 1.00 H +ATOM 1460 HG1 THR A 96 -8.922 19.640 -18.145 1.00 1.00 H +ATOM 1461 HG21 THR A 96 -8.847 18.682 -20.331 1.00 1.00 H +ATOM 1462 HG22 THR A 96 -8.230 20.305 -19.940 1.00 1.00 H +ATOM 1463 HG23 THR A 96 -7.255 19.197 -20.935 1.00 1.00 H +ATOM 1464 N LEU A 97 -7.520 16.739 -16.477 1.00 1.00 N +ATOM 1465 CA LEU A 97 -8.167 16.199 -15.292 1.00 1.00 C +ATOM 1466 C LEU A 97 -9.250 17.170 -14.821 1.00 1.00 C +ATOM 1467 O LEU A 97 -9.161 18.372 -15.069 1.00 1.00 O +ATOM 1468 CB LEU A 97 -7.128 15.865 -14.221 1.00 1.00 C +ATOM 1469 CG LEU A 97 -5.879 16.749 -14.197 1.00 1.00 C +ATOM 1470 CD1 LEU A 97 -5.298 16.840 -12.786 1.00 1.00 C +ATOM 1471 CD2 LEU A 97 -4.844 16.260 -15.213 1.00 1.00 C +ATOM 1472 H LEU A 97 -6.678 17.251 -16.301 1.00 1.00 H +ATOM 1473 HA LEU A 97 -8.644 15.262 -15.581 1.00 1.00 H +ATOM 1474 HB2 LEU A 97 -7.610 15.927 -13.244 1.00 1.00 H +ATOM 1475 HB3 LEU A 97 -6.814 14.830 -14.357 1.00 1.00 H +ATOM 1476 HG LEU A 97 -6.169 17.757 -14.493 1.00 1.00 H +ATOM 1477 HD11 LEU A 97 -5.344 15.860 -12.310 1.00 1.00 H +ATOM 1478 HD12 LEU A 97 -4.260 17.169 -12.840 1.00 1.00 H +ATOM 1479 HD13 LEU A 97 -5.875 17.557 -12.201 1.00 1.00 H +ATOM 1480 HD21 LEU A 97 -5.272 15.458 -15.812 1.00 1.00 H +ATOM 1481 HD22 LEU A 97 -4.557 17.086 -15.865 1.00 1.00 H +ATOM 1482 HD23 LEU A 97 -3.965 15.892 -14.686 1.00 1.00 H +ATOM 1483 N HIS A 98 -10.245 16.613 -14.147 1.00 1.00 N +ATOM 1484 CA HIS A 98 -11.343 17.416 -13.637 1.00 1.00 C +ATOM 1485 C HIS A 98 -11.694 16.965 -12.217 1.00 1.00 C +ATOM 1486 O HIS A 98 -11.394 17.659 -11.248 1.00 1.00 O +ATOM 1487 CB HIS A 98 -12.541 17.366 -14.588 1.00 1.00 C +ATOM 1488 CG HIS A 98 -12.169 17.133 -16.032 1.00 1.00 C +ATOM 1489 ND1 HIS A 98 -11.709 18.144 -16.859 1.00 1.00 N +ATOM 1490 CD2 HIS A 98 -12.192 15.997 -16.788 1.00 1.00 C +ATOM 1491 CE1 HIS A 98 -11.470 17.627 -18.055 1.00 1.00 C +ATOM 1492 NE2 HIS A 98 -11.770 16.298 -18.009 1.00 1.00 N +ATOM 1493 H HIS A 98 -10.309 15.636 -13.949 1.00 1.00 H +ATOM 1494 HA HIS A 98 -10.989 18.447 -13.603 1.00 1.00 H +ATOM 1495 HB2 HIS A 98 -13.215 16.571 -14.265 1.00 1.00 H +ATOM 1496 HB3 HIS A 98 -13.092 18.302 -14.512 1.00 1.00 H +ATOM 1497 HD1 HIS A 98 -11.578 19.100 -16.598 1.00 1.00 H +ATOM 1498 HD2 HIS A 98 -12.505 15.011 -16.445 1.00 1.00 H +ATOM 1499 HE1 HIS A 98 -11.097 18.170 -18.925 1.00 1.00 H +ATOM 1500 N TYR A 99 -12.324 15.802 -12.140 1.00 1.00 N +ATOM 1501 CA TYR A 99 -12.718 15.247 -10.855 1.00 1.00 C +ATOM 1502 C TYR A 99 -12.293 13.783 -10.736 1.00 1.00 C +ATOM 1503 O TYR A 99 -12.859 12.913 -11.395 1.00 1.00 O +ATOM 1504 CB TYR A 99 -14.246 15.328 -10.813 1.00 1.00 C +ATOM 1505 CG TYR A 99 -14.951 14.097 -11.386 1.00 1.00 C +ATOM 1506 CD1 TYR A 99 -15.235 13.022 -10.570 1.00 1.00 C +ATOM 1507 CD2 TYR A 99 -15.300 14.062 -12.720 1.00 1.00 C +ATOM 1508 CE1 TYR A 99 -15.899 11.864 -11.110 1.00 1.00 C +ATOM 1509 CE2 TYR A 99 -15.963 12.904 -13.261 1.00 1.00 C +ATOM 1510 CZ TYR A 99 -16.229 11.861 -12.428 1.00 1.00 C +ATOM 1511 OH TYR A 99 -16.857 10.768 -12.938 1.00 1.00 O +ATOM 1512 H TYR A 99 -12.565 15.241 -12.933 1.00 1.00 H +ATOM 1513 HA TYR A 99 -12.225 15.825 -10.074 1.00 1.00 H +ATOM 1514 HB2 TYR A 99 -14.563 15.467 -9.779 1.00 1.00 H +ATOM 1515 HB3 TYR A 99 -14.569 16.209 -11.366 1.00 1.00 H +ATOM 1516 HD1 TYR A 99 -14.959 13.051 -9.515 1.00 1.00 H +ATOM 1517 HD2 TYR A 99 -15.074 14.910 -13.367 1.00 1.00 H +ATOM 1518 HE1 TYR A 99 -16.131 11.007 -10.475 1.00 1.00 H +ATOM 1519 HE2 TYR A 99 -16.245 12.863 -14.314 1.00 1.00 H +ATOM 1520 HH TYR A 99 -17.118 10.147 -12.199 1.00 1.00 H +ATOM 1521 N PRO A 100 -11.274 13.549 -9.868 1.00 1.00 N +ATOM 1522 CA PRO A 100 -10.766 12.205 -9.653 1.00 1.00 C +ATOM 1523 C PRO A 100 -11.731 11.386 -8.794 1.00 1.00 C +ATOM 1524 O PRO A 100 -11.649 11.409 -7.567 1.00 1.00 O +ATOM 1525 CB PRO A 100 -9.407 12.396 -9.000 1.00 1.00 C +ATOM 1526 CG PRO A 100 -9.404 13.814 -8.451 1.00 1.00 C +ATOM 1527 CD PRO A 100 -10.579 14.555 -9.069 1.00 1.00 C +ATOM 1528 HA PRO A 100 -10.693 11.718 -10.524 1.00 1.00 H +ATOM 1529 HB2 PRO A 100 -9.249 11.669 -8.204 1.00 1.00 H +ATOM 1530 HB3 PRO A 100 -8.603 12.257 -9.723 1.00 1.00 H +ATOM 1531 HG2 PRO A 100 -9.489 13.803 -7.364 1.00 1.00 H +ATOM 1532 HG3 PRO A 100 -8.467 14.315 -8.692 1.00 1.00 H +ATOM 1533 HD2 PRO A 100 -11.231 14.971 -8.302 1.00 1.00 H +ATOM 1534 HD3 PRO A 100 -10.241 15.387 -9.687 1.00 1.00 H +ATOM 1535 N ALA A 101 -12.622 10.679 -9.473 1.00 1.00 N +ATOM 1536 CA ALA A 101 -13.602 9.853 -8.787 1.00 1.00 C +ATOM 1537 C ALA A 101 -12.924 9.120 -7.629 1.00 1.00 C +ATOM 1538 O ALA A 101 -11.857 8.531 -7.801 1.00 1.00 O +ATOM 1539 CB ALA A 101 -14.249 8.891 -9.788 1.00 1.00 C +ATOM 1540 H ALA A 101 -12.682 10.665 -10.471 1.00 1.00 H +ATOM 1541 HA ALA A 101 -14.372 10.513 -8.388 1.00 1.00 H +ATOM 1542 HB1 ALA A 101 -13.867 9.096 -10.788 1.00 1.00 H +ATOM 1543 HB2 ALA A 101 -14.011 7.865 -9.510 1.00 1.00 H +ATOM 1544 HB3 ALA A 101 -15.330 9.029 -9.776 1.00 1.00 H +ATOM 1545 N PRO A 102 -13.587 9.180 -6.443 1.00 1.00 N +ATOM 1546 CA PRO A 102 -13.059 8.529 -5.257 1.00 1.00 C +ATOM 1547 C PRO A 102 -13.256 7.013 -5.329 1.00 1.00 C +ATOM 1548 O PRO A 102 -13.775 6.497 -6.318 1.00 1.00 O +ATOM 1549 CB PRO A 102 -13.801 9.168 -4.093 1.00 1.00 C +ATOM 1550 CG PRO A 102 -15.038 9.816 -4.695 1.00 1.00 C +ATOM 1551 CD PRO A 102 -14.853 9.867 -6.202 1.00 1.00 C +ATOM 1552 HA PRO A 102 -12.072 8.673 -5.191 1.00 1.00 H +ATOM 1553 HB2 PRO A 102 -14.072 8.424 -3.347 1.00 1.00 H +ATOM 1554 HB3 PRO A 102 -13.176 9.909 -3.594 1.00 1.00 H +ATOM 1555 HG2 PRO A 102 -15.930 9.244 -4.439 1.00 1.00 H +ATOM 1556 HG3 PRO A 102 -15.176 10.819 -4.293 1.00 1.00 H +ATOM 1557 HD2 PRO A 102 -15.676 9.373 -6.719 1.00 1.00 H +ATOM 1558 HD3 PRO A 102 -14.819 10.896 -6.562 1.00 1.00 H +ATOM 1559 N LYS A 103 -12.832 6.342 -4.268 1.00 1.00 N +ATOM 1560 CA LYS A 103 -12.955 4.896 -4.199 1.00 1.00 C +ATOM 1561 C LYS A 103 -14.391 4.528 -3.823 1.00 1.00 C +ATOM 1562 O LYS A 103 -15.233 5.406 -3.639 1.00 1.00 O +ATOM 1563 CB LYS A 103 -11.904 4.313 -3.253 1.00 1.00 C +ATOM 1564 CG LYS A 103 -10.532 4.941 -3.505 1.00 1.00 C +ATOM 1565 CD LYS A 103 -9.817 4.252 -4.670 1.00 1.00 C +ATOM 1566 CE LYS A 103 -9.883 2.730 -4.528 1.00 1.00 C +ATOM 1567 NZ LYS A 103 -11.058 2.193 -5.248 1.00 1.00 N +ATOM 1568 H LYS A 103 -12.411 6.769 -3.468 1.00 1.00 H +ATOM 1569 HA LYS A 103 -12.747 4.503 -5.194 1.00 1.00 H +ATOM 1570 HB2 LYS A 103 -12.202 4.485 -2.220 1.00 1.00 H +ATOM 1571 HB3 LYS A 103 -11.844 3.233 -3.391 1.00 1.00 H +ATOM 1572 HG2 LYS A 103 -10.648 6.003 -3.723 1.00 1.00 H +ATOM 1573 HG3 LYS A 103 -9.922 4.866 -2.605 1.00 1.00 H +ATOM 1574 HD2 LYS A 103 -10.276 4.553 -5.613 1.00 1.00 H +ATOM 1575 HD3 LYS A 103 -8.776 4.574 -4.705 1.00 1.00 H +ATOM 1576 HE2 LYS A 103 -8.971 2.283 -4.925 1.00 1.00 H +ATOM 1577 HE3 LYS A 103 -9.939 2.458 -3.475 1.00 1.00 H +ATOM 1578 HZ1 LYS A 103 -11.587 2.949 -5.635 1.00 1.00 H +ATOM 1579 HZ2 LYS A 103 -10.753 1.590 -5.984 1.00 1.00 H +ATOM 1580 HZ3 LYS A 103 -11.633 1.678 -4.612 1.00 1.00 H +ATOM 1581 N ARG A 104 -14.629 3.229 -3.718 1.00 1.00 N +ATOM 1582 CA ARG A 104 -15.949 2.734 -3.367 1.00 1.00 C +ATOM 1583 C ARG A 104 -16.269 3.066 -1.908 1.00 1.00 C +ATOM 1584 O ARG A 104 -17.275 3.713 -1.622 1.00 1.00 O +ATOM 1585 CB ARG A 104 -16.042 1.220 -3.570 1.00 1.00 C +ATOM 1586 CG ARG A 104 -16.946 0.882 -4.758 1.00 1.00 C +ATOM 1587 CD ARG A 104 -16.134 0.763 -6.048 1.00 1.00 C +ATOM 1588 NE ARG A 104 -15.252 -0.424 -5.985 1.00 1.00 N +ATOM 1589 CZ ARG A 104 -14.125 -0.562 -6.697 1.00 1.00 C +ATOM 1590 NH1 ARG A 104 -13.736 0.413 -7.529 1.00 1.00 N +ATOM 1591 NH2 ARG A 104 -13.388 -1.674 -6.575 1.00 1.00 N +ATOM 1592 H ARG A 104 -13.938 2.521 -3.869 1.00 1.00 H +ATOM 1593 HA ARG A 104 -16.628 3.249 -4.045 1.00 1.00 H +ATOM 1594 HB2 ARG A 104 -15.046 0.810 -3.738 1.00 1.00 H +ATOM 1595 HB3 ARG A 104 -16.431 0.752 -2.666 1.00 1.00 H +ATOM 1596 HG2 ARG A 104 -17.469 -0.056 -4.565 1.00 1.00 H +ATOM 1597 HG3 ARG A 104 -17.707 1.653 -4.872 1.00 1.00 H +ATOM 1598 HD2 ARG A 104 -16.804 0.683 -6.903 1.00 1.00 H +ATOM 1599 HD3 ARG A 104 -15.536 1.663 -6.195 1.00 1.00 H +ATOM 1600 HE ARG A 104 -15.514 -1.171 -5.373 1.00 1.00 H +ATOM 1601 HH11 ARG A 104 -14.285 1.242 -7.620 1.00 1.00 H +ATOM 1602 HH12 ARG A 104 -12.894 0.309 -8.061 1.00 1.00 H +ATOM 1603 HH21 ARG A 104 -13.679 -2.402 -5.954 1.00 1.00 H +ATOM 1604 HH22 ARG A 104 -12.547 -1.777 -7.106 1.00 1.00 H +ATOM 1605 N GLY A 105 -15.394 2.610 -1.024 1.00 1.00 N +ATOM 1606 CA GLY A 105 -15.571 2.851 0.397 1.00 1.00 C +ATOM 1607 C GLY A 105 -15.934 1.558 1.132 1.00 1.00 C +ATOM 1608 O GLY A 105 -16.984 1.475 1.766 1.00 1.00 O +ATOM 1609 H GLY A 105 -14.577 2.085 -1.265 1.00 1.00 H +ATOM 1610 HA2 GLY A 105 -14.655 3.265 0.816 1.00 1.00 H +ATOM 1611 HA3 GLY A 105 -16.356 3.592 0.550 1.00 1.00 H +ATOM 1612 N ILE A 106 -15.046 0.582 1.020 1.00 1.00 N +ATOM 1613 CA ILE A 106 -15.260 -0.703 1.664 1.00 1.00 C +ATOM 1614 C ILE A 106 -14.680 -0.660 3.080 1.00 1.00 C +ATOM 1615 O ILE A 106 -13.464 -0.704 3.258 1.00 1.00 O +ATOM 1616 CB ILE A 106 -14.698 -1.835 0.803 1.00 1.00 C +ATOM 1617 CG1 ILE A 106 -15.382 -1.876 -0.565 1.00 1.00 C +ATOM 1618 CG2 ILE A 106 -14.793 -3.177 1.532 1.00 1.00 C +ATOM 1619 CD1 ILE A 106 -14.610 -2.770 -1.537 1.00 1.00 C +ATOM 1620 H ILE A 106 -14.194 0.658 0.500 1.00 1.00 H +ATOM 1621 HA ILE A 106 -16.337 -0.856 1.735 1.00 1.00 H +ATOM 1622 HB ILE A 106 -13.640 -1.638 0.629 1.00 1.00 H +ATOM 1623 HG12 ILE A 106 -16.401 -2.245 -0.455 1.00 1.00 H +ATOM 1624 HG13 ILE A 106 -15.450 -0.865 -0.970 1.00 1.00 H +ATOM 1625 HG21 ILE A 106 -14.743 -3.011 2.608 1.00 1.00 H +ATOM 1626 HG22 ILE A 106 -15.739 -3.660 1.282 1.00 1.00 H +ATOM 1627 HG23 ILE A 106 -13.967 -3.818 1.222 1.00 1.00 H +ATOM 1628 HD11 ILE A 106 -14.101 -3.558 -0.982 1.00 1.00 H +ATOM 1629 HD12 ILE A 106 -15.306 -3.220 -2.247 1.00 1.00 H +ATOM 1630 HD13 ILE A 106 -13.876 -2.173 -2.077 1.00 1.00 H +ATOM 1631 N HIS A 107 -15.578 -0.577 4.050 1.00 1.00 N +ATOM 1632 CA HIS A 107 -15.172 -0.528 5.444 1.00 1.00 C +ATOM 1633 C HIS A 107 -15.485 -1.866 6.118 1.00 1.00 C +ATOM 1634 O HIS A 107 -16.370 -1.944 6.969 1.00 1.00 O +ATOM 1635 CB HIS A 107 -15.819 0.662 6.158 1.00 1.00 C +ATOM 1636 CG HIS A 107 -17.313 0.758 5.961 1.00 1.00 C +ATOM 1637 ND1 HIS A 107 -18.214 0.652 7.005 1.00 1.00 N +ATOM 1638 CD2 HIS A 107 -18.051 0.950 4.832 1.00 1.00 C +ATOM 1639 CE1 HIS A 107 -19.438 0.778 6.514 1.00 1.00 C +ATOM 1640 NE2 HIS A 107 -19.336 0.962 5.166 1.00 1.00 N +ATOM 1641 H HIS A 107 -16.566 -0.542 3.897 1.00 1.00 H +ATOM 1642 HA HIS A 107 -14.093 -0.373 5.450 1.00 1.00 H +ATOM 1643 HB2 HIS A 107 -15.606 0.590 7.225 1.00 1.00 H +ATOM 1644 HB3 HIS A 107 -15.355 1.582 5.801 1.00 1.00 H +ATOM 1645 HD1 HIS A 107 -17.981 0.507 7.967 1.00 1.00 H +ATOM 1646 HD2 HIS A 107 -17.655 1.076 3.823 1.00 1.00 H +ATOM 1647 HE1 HIS A 107 -20.365 0.740 7.087 1.00 1.00 H +ATOM 1648 N ARG A 108 -14.743 -2.885 5.709 1.00 1.00 N +ATOM 1649 CA ARG A 108 -14.932 -4.215 6.262 1.00 1.00 C +ATOM 1650 C ARG A 108 -14.319 -4.300 7.662 1.00 1.00 C +ATOM 1651 O ARG A 108 -13.580 -3.408 8.076 1.00 1.00 O +ATOM 1652 CB ARG A 108 -14.292 -5.278 5.368 1.00 1.00 C +ATOM 1653 CG ARG A 108 -15.346 -6.247 4.826 1.00 1.00 C +ATOM 1654 CD ARG A 108 -15.069 -6.596 3.363 1.00 1.00 C +ATOM 1655 NE ARG A 108 -14.119 -7.728 3.284 1.00 1.00 N +ATOM 1656 CZ ARG A 108 -14.487 -9.014 3.212 1.00 1.00 C +ATOM 1657 NH1 ARG A 108 -15.786 -9.340 3.208 1.00 1.00 N +ATOM 1658 NH2 ARG A 108 -13.556 -9.974 3.143 1.00 1.00 N +ATOM 1659 H ARG A 108 -14.027 -2.812 5.017 1.00 1.00 H +ATOM 1660 HA ARG A 108 -16.012 -4.352 6.299 1.00 1.00 H +ATOM 1661 HB2 ARG A 108 -13.773 -4.797 4.538 1.00 1.00 H +ATOM 1662 HB3 ARG A 108 -13.543 -5.833 5.934 1.00 1.00 H +ATOM 1663 HG2 ARG A 108 -15.352 -7.156 5.427 1.00 1.00 H +ATOM 1664 HG3 ARG A 108 -16.335 -5.799 4.916 1.00 1.00 H +ATOM 1665 HD2 ARG A 108 -16.000 -6.856 2.859 1.00 1.00 H +ATOM 1666 HD3 ARG A 108 -14.659 -5.729 2.844 1.00 1.00 H +ATOM 1667 HE ARG A 108 -13.141 -7.520 3.286 1.00 1.00 H +ATOM 1668 HH11 ARG A 108 -16.482 -8.622 3.258 1.00 1.00 H +ATOM 1669 HH12 ARG A 108 -16.061 -10.300 3.153 1.00 1.00 H +ATOM 1670 HH21 ARG A 108 -12.585 -9.732 3.147 1.00 1.00 H +ATOM 1671 HH22 ARG A 108 -13.830 -10.936 3.090 1.00 1.00 H +ATOM 1672 N ASP A 109 -14.650 -5.381 8.353 1.00 1.00 N +ATOM 1673 CA ASP A 109 -14.141 -5.594 9.697 1.00 1.00 C +ATOM 1674 C ASP A 109 -14.732 -6.886 10.263 1.00 1.00 C +ATOM 1675 O ASP A 109 -15.529 -7.514 9.532 1.00 1.00 O +ATOM 1676 CB ASP A 109 -14.542 -4.445 10.626 1.00 1.00 C +ATOM 1677 CG ASP A 109 -13.661 -4.278 11.866 1.00 1.00 C +ATOM 1678 OD1 ASP A 109 -13.835 -4.980 12.874 1.00 1.00 O +ATOM 1679 OD2 ASP A 109 -12.750 -3.369 11.767 1.00 1.00 O +ATOM 1680 OXT ASP A 109 -14.423 -7.274 11.388 1.00 1.00 O +ATOM 1681 H ASP A 109 -15.252 -6.101 8.010 1.00 1.00 H +ATOM 1682 HA ASP A 109 -13.058 -5.642 9.590 1.00 1.00 H +ATOM 1683 HB2 ASP A 109 -14.525 -3.515 10.058 1.00 1.00 H +ATOM 1684 HB3 ASP A 109 -15.571 -4.603 10.950 1.00 1.00 H +TER 1685 ASP A 109 +ENDMDL +MODEL 11 +ATOM 1 N GLY A 1 2.783 -3.697 -6.192 1.00 1.00 N +ATOM 2 CA GLY A 1 1.995 -3.266 -7.332 1.00 1.00 C +ATOM 3 C GLY A 1 0.604 -2.803 -6.895 1.00 1.00 C +ATOM 4 O GLY A 1 -0.404 -3.372 -7.314 1.00 1.00 O +ATOM 5 H1 GLY A 1 2.764 -2.980 -5.476 1.00 1.00 H +ATOM 6 H2 GLY A 1 2.394 -4.557 -5.817 1.00 1.00 H +ATOM 7 H3 GLY A 1 3.740 -3.859 -6.483 1.00 1.00 H +ATOM 8 HA2 GLY A 1 2.507 -2.452 -7.846 1.00 1.00 H +ATOM 9 HA3 GLY A 1 1.903 -4.085 -8.046 1.00 1.00 H +ATOM 10 N SER A 2 0.593 -1.777 -6.058 1.00 1.00 N +ATOM 11 CA SER A 2 -0.659 -1.231 -5.559 1.00 1.00 C +ATOM 12 C SER A 2 -1.429 -2.307 -4.791 1.00 1.00 C +ATOM 13 O SER A 2 -1.147 -3.496 -4.931 1.00 1.00 O +ATOM 14 CB SER A 2 -1.514 -0.679 -6.701 1.00 1.00 C +ATOM 15 OG SER A 2 -2.142 0.551 -6.352 1.00 1.00 O +ATOM 16 H SER A 2 1.416 -1.320 -5.722 1.00 1.00 H +ATOM 17 HA SER A 2 -0.373 -0.416 -4.892 1.00 1.00 H +ATOM 18 HB2 SER A 2 -0.889 -0.530 -7.583 1.00 1.00 H +ATOM 19 HB3 SER A 2 -2.275 -1.412 -6.971 1.00 1.00 H +ATOM 20 HG SER A 2 -2.304 0.584 -5.366 1.00 1.00 H +ATOM 21 N GLY A 3 -2.386 -1.852 -3.996 1.00 1.00 N +ATOM 22 CA GLY A 3 -3.200 -2.760 -3.207 1.00 1.00 C +ATOM 23 C GLY A 3 -3.959 -2.007 -2.114 1.00 1.00 C +ATOM 24 O GLY A 3 -3.611 -2.096 -0.937 1.00 1.00 O +ATOM 25 H GLY A 3 -2.610 -0.882 -3.890 1.00 1.00 H +ATOM 26 HA2 GLY A 3 -3.907 -3.278 -3.855 1.00 1.00 H +ATOM 27 HA3 GLY A 3 -2.564 -3.522 -2.755 1.00 1.00 H +ATOM 28 N ASN A 4 -4.982 -1.281 -2.540 1.00 1.00 N +ATOM 29 CA ASN A 4 -5.794 -0.513 -1.612 1.00 1.00 C +ATOM 30 C ASN A 4 -4.880 0.202 -0.613 1.00 1.00 C +ATOM 31 O ASN A 4 -3.668 0.259 -0.808 1.00 1.00 O +ATOM 32 CB ASN A 4 -6.738 -1.422 -0.822 1.00 1.00 C +ATOM 33 CG ASN A 4 -5.955 -2.479 -0.039 1.00 1.00 C +ATOM 34 OD1 ASN A 4 -5.528 -2.266 1.084 1.00 1.00 O +ATOM 35 ND2 ASN A 4 -5.791 -3.624 -0.694 1.00 1.00 N +ATOM 36 H ASN A 4 -5.258 -1.214 -3.499 1.00 1.00 H +ATOM 37 HA ASN A 4 -6.359 0.183 -2.233 1.00 1.00 H +ATOM 38 HB2 ASN A 4 -7.334 -0.823 -0.134 1.00 1.00 H +ATOM 39 HB3 ASN A 4 -7.433 -1.912 -1.505 1.00 1.00 H +ATOM 40 HD21 ASN A 4 -6.167 -3.734 -1.613 1.00 1.00 H +ATOM 41 HD22 ASN A 4 -5.291 -4.377 -0.264 1.00 1.00 H +ATOM 42 N SER A 5 -5.499 0.729 0.433 1.00 1.00 N +ATOM 43 CA SER A 5 -4.757 1.438 1.462 1.00 1.00 C +ATOM 44 C SER A 5 -4.201 2.747 0.898 1.00 1.00 C +ATOM 45 O SER A 5 -4.500 3.824 1.409 1.00 1.00 O +ATOM 46 CB SER A 5 -3.624 0.574 2.017 1.00 1.00 C +ATOM 47 OG SER A 5 -4.112 -0.498 2.818 1.00 1.00 O +ATOM 48 H SER A 5 -6.487 0.678 0.583 1.00 1.00 H +ATOM 49 HA SER A 5 -5.480 1.638 2.253 1.00 1.00 H +ATOM 50 HB2 SER A 5 -3.036 0.171 1.190 1.00 1.00 H +ATOM 51 HB3 SER A 5 -2.952 1.194 2.610 1.00 1.00 H +ATOM 52 HG SER A 5 -4.775 -0.154 3.482 1.00 1.00 H +ATOM 53 N LEU A 6 -3.399 2.610 -0.149 1.00 1.00 N +ATOM 54 CA LEU A 6 -2.797 3.768 -0.787 1.00 1.00 C +ATOM 55 C LEU A 6 -3.882 4.562 -1.517 1.00 1.00 C +ATOM 56 O LEU A 6 -3.799 4.766 -2.727 1.00 1.00 O +ATOM 57 CB LEU A 6 -1.637 3.339 -1.688 1.00 1.00 C +ATOM 58 CG LEU A 6 -0.238 3.462 -1.083 1.00 1.00 C +ATOM 59 CD1 LEU A 6 0.108 4.924 -0.790 1.00 1.00 C +ATOM 60 CD2 LEU A 6 -0.098 2.579 0.159 1.00 1.00 C +ATOM 61 H LEU A 6 -3.159 1.728 -0.558 1.00 1.00 H +ATOM 62 HA LEU A 6 -2.379 4.394 0.000 1.00 1.00 H +ATOM 63 HB2 LEU A 6 -1.794 2.302 -1.983 1.00 1.00 H +ATOM 64 HB3 LEU A 6 -1.671 3.938 -2.600 1.00 1.00 H +ATOM 65 HG LEU A 6 0.485 3.101 -1.817 1.00 1.00 H +ATOM 66 HD11 LEU A 6 0.076 5.497 -1.717 1.00 1.00 H +ATOM 67 HD12 LEU A 6 -0.614 5.334 -0.084 1.00 1.00 H +ATOM 68 HD13 LEU A 6 1.108 4.982 -0.360 1.00 1.00 H +ATOM 69 HD21 LEU A 6 -0.958 1.916 0.232 1.00 1.00 H +ATOM 70 HD22 LEU A 6 0.814 1.987 0.085 1.00 1.00 H +ATOM 71 HD23 LEU A 6 -0.050 3.210 1.048 1.00 1.00 H +ATOM 72 N GLU A 7 -4.874 4.991 -0.750 1.00 1.00 N +ATOM 73 CA GLU A 7 -5.973 5.759 -1.308 1.00 1.00 C +ATOM 74 C GLU A 7 -5.541 7.208 -1.547 1.00 1.00 C +ATOM 75 O GLU A 7 -6.027 8.122 -0.884 1.00 1.00 O +ATOM 76 CB GLU A 7 -7.202 5.697 -0.399 1.00 1.00 C +ATOM 77 CG GLU A 7 -8.313 4.860 -1.037 1.00 1.00 C +ATOM 78 CD GLU A 7 -8.914 3.884 -0.023 1.00 1.00 C +ATOM 79 OE1 GLU A 7 -9.419 4.433 1.030 1.00 1.00 O +ATOM 80 OE2 GLU A 7 -8.891 2.665 -0.246 1.00 1.00 O +ATOM 81 H GLU A 7 -4.933 4.821 0.234 1.00 1.00 H +ATOM 82 HA GLU A 7 -6.208 5.281 -2.260 1.00 1.00 H +ATOM 83 HB2 GLU A 7 -6.926 5.269 0.563 1.00 1.00 H +ATOM 84 HB3 GLU A 7 -7.568 6.706 -0.206 1.00 1.00 H +ATOM 85 HG2 GLU A 7 -9.092 5.516 -1.421 1.00 1.00 H +ATOM 86 HG3 GLU A 7 -7.915 4.306 -1.887 1.00 1.00 H +ATOM 87 N LYS A 8 -4.632 7.372 -2.497 1.00 1.00 N +ATOM 88 CA LYS A 8 -4.128 8.692 -2.832 1.00 1.00 C +ATOM 89 C LYS A 8 -5.274 9.545 -3.381 1.00 1.00 C +ATOM 90 O LYS A 8 -6.343 9.619 -2.777 1.00 1.00 O +ATOM 91 CB LYS A 8 -2.932 8.587 -3.778 1.00 1.00 C +ATOM 92 CG LYS A 8 -1.776 9.470 -3.302 1.00 1.00 C +ATOM 93 CD LYS A 8 -2.129 10.953 -3.435 1.00 1.00 C +ATOM 94 CE LYS A 8 -1.626 11.747 -2.228 1.00 1.00 C +ATOM 95 NZ LYS A 8 -0.379 12.470 -2.567 1.00 1.00 N +ATOM 96 H LYS A 8 -4.241 6.621 -3.032 1.00 1.00 H +ATOM 97 HA LYS A 8 -3.770 9.149 -1.908 1.00 1.00 H +ATOM 98 HB2 LYS A 8 -2.600 7.549 -3.837 1.00 1.00 H +ATOM 99 HB3 LYS A 8 -3.230 8.881 -4.783 1.00 1.00 H +ATOM 100 HG2 LYS A 8 -1.542 9.240 -2.263 1.00 1.00 H +ATOM 101 HG3 LYS A 8 -0.881 9.251 -3.886 1.00 1.00 H +ATOM 102 HD2 LYS A 8 -1.689 11.353 -4.349 1.00 1.00 H +ATOM 103 HD3 LYS A 8 -3.209 11.066 -3.526 1.00 1.00 H +ATOM 104 HE2 LYS A 8 -2.389 12.456 -1.909 1.00 1.00 H +ATOM 105 HE3 LYS A 8 -1.446 11.073 -1.392 1.00 1.00 H +ATOM 106 HZ1 LYS A 8 -0.069 12.192 -3.488 1.00 1.00 H +ATOM 107 HZ2 LYS A 8 -0.511 13.476 -2.567 1.00 1.00 H +ATOM 108 HZ3 LYS A 8 0.335 12.244 -1.889 1.00 1.00 H +ATOM 109 N HIS A 9 -5.010 10.167 -4.522 1.00 1.00 N +ATOM 110 CA HIS A 9 -6.006 11.012 -5.160 1.00 1.00 C +ATOM 111 C HIS A 9 -7.164 10.149 -5.665 1.00 1.00 C +ATOM 112 O HIS A 9 -7.170 8.935 -5.467 1.00 1.00 O +ATOM 113 CB HIS A 9 -5.371 11.858 -6.265 1.00 1.00 C +ATOM 114 CG HIS A 9 -4.433 12.927 -5.759 1.00 1.00 C +ATOM 115 ND1 HIS A 9 -4.141 13.094 -4.416 1.00 1.00 N +ATOM 116 CD2 HIS A 9 -3.723 13.880 -6.428 1.00 1.00 C +ATOM 117 CE1 HIS A 9 -3.295 14.105 -4.296 1.00 1.00 C +ATOM 118 NE2 HIS A 9 -3.036 14.591 -5.542 1.00 1.00 N +ATOM 119 H HIS A 9 -4.138 10.102 -5.006 1.00 1.00 H +ATOM 120 HA HIS A 9 -6.377 11.691 -4.393 1.00 1.00 H +ATOM 121 HB2 HIS A 9 -4.826 11.201 -6.944 1.00 1.00 H +ATOM 122 HB3 HIS A 9 -6.164 12.329 -6.848 1.00 1.00 H +ATOM 123 HD1 HIS A 9 -4.508 12.545 -3.666 1.00 1.00 H +ATOM 124 HD2 HIS A 9 -3.721 14.032 -7.508 1.00 1.00 H +ATOM 125 HE1 HIS A 9 -2.876 14.483 -3.362 1.00 1.00 H +ATOM 126 N SER A 10 -8.116 10.808 -6.307 1.00 1.00 N +ATOM 127 CA SER A 10 -9.276 10.117 -6.842 1.00 1.00 C +ATOM 128 C SER A 10 -8.879 9.302 -8.073 1.00 1.00 C +ATOM 129 O SER A 10 -9.646 8.461 -8.539 1.00 1.00 O +ATOM 130 CB SER A 10 -10.391 11.104 -7.195 1.00 1.00 C +ATOM 131 OG SER A 10 -11.052 11.601 -6.035 1.00 1.00 O +ATOM 132 H SER A 10 -8.103 11.797 -6.463 1.00 1.00 H +ATOM 133 HA SER A 10 -9.615 9.460 -6.040 1.00 1.00 H +ATOM 134 HB2 SER A 10 -9.972 11.938 -7.759 1.00 1.00 H +ATOM 135 HB3 SER A 10 -11.116 10.615 -7.844 1.00 1.00 H +ATOM 136 HG SER A 10 -10.970 10.943 -5.286 1.00 1.00 H +ATOM 137 N TRP A 11 -7.681 9.579 -8.566 1.00 1.00 N +ATOM 138 CA TRP A 11 -7.172 8.883 -9.734 1.00 1.00 C +ATOM 139 C TRP A 11 -6.210 7.794 -9.253 1.00 1.00 C +ATOM 140 O TRP A 11 -5.672 7.036 -10.059 1.00 1.00 O +ATOM 141 CB TRP A 11 -6.524 9.861 -10.716 1.00 1.00 C +ATOM 142 CG TRP A 11 -5.599 10.884 -10.058 1.00 1.00 C +ATOM 143 CD1 TRP A 11 -5.768 12.211 -9.963 1.00 1.00 C +ATOM 144 CD2 TRP A 11 -4.344 10.612 -9.398 1.00 1.00 C +ATOM 145 NE1 TRP A 11 -4.719 12.809 -9.296 1.00 1.00 N +ATOM 146 CE2 TRP A 11 -3.826 11.806 -8.940 1.00 1.00 C +ATOM 147 CE3 TRP A 11 -3.669 9.395 -9.194 1.00 1.00 C +ATOM 148 CZ2 TRP A 11 -2.611 11.901 -8.251 1.00 1.00 C +ATOM 149 CZ3 TRP A 11 -2.455 9.507 -8.504 1.00 1.00 C +ATOM 150 CH2 TRP A 11 -1.922 10.702 -8.038 1.00 1.00 C +ATOM 151 H TRP A 11 -7.063 10.266 -8.180 1.00 1.00 H +ATOM 152 HA TRP A 11 -8.020 8.431 -10.248 1.00 1.00 H +ATOM 153 HB2 TRP A 11 -5.954 9.294 -11.454 1.00 1.00 H +ATOM 154 HB3 TRP A 11 -7.308 10.390 -11.258 1.00 1.00 H +ATOM 155 HD1 TRP A 11 -6.628 12.748 -10.365 1.00 1.00 H +ATOM 156 HE1 TRP A 11 -4.613 13.874 -9.085 1.00 1.00 H +ATOM 157 HE3 TRP A 11 -4.057 8.438 -9.545 1.00 1.00 H +ATOM 158 HZ2 TRP A 11 -2.224 12.858 -7.900 1.00 1.00 H +ATOM 159 HZ3 TRP A 11 -1.893 8.593 -8.320 1.00 1.00 H +ATOM 160 HH2 TRP A 11 -0.969 10.705 -7.507 1.00 1.00 H +ATOM 161 N TYR A 12 -6.024 7.749 -7.942 1.00 1.00 N +ATOM 162 CA TYR A 12 -5.138 6.765 -7.345 1.00 1.00 C +ATOM 163 C TYR A 12 -5.913 5.811 -6.433 1.00 1.00 C +ATOM 164 O TYR A 12 -5.910 5.973 -5.215 1.00 1.00 O +ATOM 165 CB TYR A 12 -4.137 7.557 -6.501 1.00 1.00 C +ATOM 166 CG TYR A 12 -2.751 6.915 -6.414 1.00 1.00 C +ATOM 167 CD1 TYR A 12 -2.617 5.545 -6.514 1.00 1.00 C +ATOM 168 CD2 TYR A 12 -1.634 7.705 -6.234 1.00 1.00 C +ATOM 169 CE1 TYR A 12 -1.313 4.940 -6.433 1.00 1.00 C +ATOM 170 CE2 TYR A 12 -0.329 7.101 -6.152 1.00 1.00 C +ATOM 171 CZ TYR A 12 -0.234 5.748 -6.255 1.00 1.00 C +ATOM 172 OH TYR A 12 0.998 5.177 -6.178 1.00 1.00 O +ATOM 173 H TYR A 12 -6.466 8.370 -7.294 1.00 1.00 H +ATOM 174 HA TYR A 12 -4.678 6.193 -8.151 1.00 1.00 H +ATOM 175 HB2 TYR A 12 -4.035 8.559 -6.919 1.00 1.00 H +ATOM 176 HB3 TYR A 12 -4.537 7.671 -5.493 1.00 1.00 H +ATOM 177 HD1 TYR A 12 -3.499 4.920 -6.656 1.00 1.00 H +ATOM 178 HD2 TYR A 12 -1.739 8.787 -6.154 1.00 1.00 H +ATOM 179 HE1 TYR A 12 -1.194 3.860 -6.511 1.00 1.00 H +ATOM 180 HE2 TYR A 12 0.561 7.714 -6.011 1.00 1.00 H +ATOM 181 HH TYR A 12 1.695 5.824 -6.488 1.00 1.00 H +ATOM 182 N HIS A 13 -6.556 4.836 -7.061 1.00 1.00 N +ATOM 183 CA HIS A 13 -7.332 3.857 -6.321 1.00 1.00 C +ATOM 184 C HIS A 13 -6.546 2.548 -6.222 1.00 1.00 C +ATOM 185 O HIS A 13 -6.168 2.129 -5.129 1.00 1.00 O +ATOM 186 CB HIS A 13 -8.715 3.672 -6.952 1.00 1.00 C +ATOM 187 CG HIS A 13 -9.576 4.911 -6.920 1.00 1.00 C +ATOM 188 ND1 HIS A 13 -10.950 4.874 -7.072 1.00 1.00 N +ATOM 189 CD2 HIS A 13 -9.242 6.223 -6.754 1.00 1.00 C +ATOM 190 CE1 HIS A 13 -11.413 6.112 -6.998 1.00 1.00 C +ATOM 191 NE2 HIS A 13 -10.353 6.949 -6.801 1.00 1.00 N +ATOM 192 H HIS A 13 -6.552 4.712 -8.054 1.00 1.00 H +ATOM 193 HA HIS A 13 -7.477 4.262 -5.320 1.00 1.00 H +ATOM 194 HB2 HIS A 13 -8.591 3.354 -7.987 1.00 1.00 H +ATOM 195 HB3 HIS A 13 -9.235 2.866 -6.433 1.00 1.00 H +ATOM 196 HD1 HIS A 13 -11.500 4.051 -7.213 1.00 1.00 H +ATOM 197 HD2 HIS A 13 -8.235 6.611 -6.606 1.00 1.00 H +ATOM 198 HE1 HIS A 13 -12.458 6.412 -7.080 1.00 1.00 H +ATOM 199 N GLY A 14 -6.324 1.939 -7.377 1.00 1.00 N +ATOM 200 CA GLY A 14 -5.589 0.687 -7.433 1.00 1.00 C +ATOM 201 C GLY A 14 -5.705 0.045 -8.817 1.00 1.00 C +ATOM 202 O GLY A 14 -6.014 0.723 -9.796 1.00 1.00 O +ATOM 203 H GLY A 14 -6.636 2.287 -8.261 1.00 1.00 H +ATOM 204 HA2 GLY A 14 -4.541 0.866 -7.199 1.00 1.00 H +ATOM 205 HA3 GLY A 14 -5.974 0.001 -6.678 1.00 1.00 H +ATOM 206 N PRO A 15 -5.444 -1.290 -8.856 1.00 1.00 N +ATOM 207 CA PRO A 15 -5.517 -2.030 -10.104 1.00 1.00 C +ATOM 208 C PRO A 15 -6.971 -2.266 -10.519 1.00 1.00 C +ATOM 209 O PRO A 15 -7.672 -3.070 -9.904 1.00 1.00 O +ATOM 210 CB PRO A 15 -4.757 -3.319 -9.841 1.00 1.00 C +ATOM 211 CG PRO A 15 -4.689 -3.462 -8.329 1.00 1.00 C +ATOM 212 CD PRO A 15 -5.077 -2.125 -7.718 1.00 1.00 C +ATOM 213 HA PRO A 15 -5.104 -1.502 -10.845 1.00 1.00 H +ATOM 214 HB2 PRO A 15 -5.266 -4.173 -10.290 1.00 1.00 H +ATOM 215 HB3 PRO A 15 -3.758 -3.280 -10.275 1.00 1.00 H +ATOM 216 HG2 PRO A 15 -5.362 -4.248 -7.987 1.00 1.00 H +ATOM 217 HG3 PRO A 15 -3.683 -3.746 -8.016 1.00 1.00 H +ATOM 218 HD2 PRO A 15 -5.908 -2.235 -7.021 1.00 1.00 H +ATOM 219 HD3 PRO A 15 -4.249 -1.689 -7.158 1.00 1.00 H +ATOM 220 N VAL A 16 -7.380 -1.553 -11.557 1.00 1.00 N +ATOM 221 CA VAL A 16 -8.737 -1.677 -12.062 1.00 1.00 C +ATOM 222 C VAL A 16 -8.708 -2.343 -13.438 1.00 1.00 C +ATOM 223 O VAL A 16 -7.836 -2.051 -14.255 1.00 1.00 O +ATOM 224 CB VAL A 16 -9.416 -0.305 -12.076 1.00 1.00 C +ATOM 225 CG1 VAL A 16 -8.908 0.545 -13.242 1.00 1.00 C +ATOM 226 CG2 VAL A 16 -10.938 -0.447 -12.124 1.00 1.00 C +ATOM 227 H VAL A 16 -6.802 -0.904 -12.052 1.00 1.00 H +ATOM 228 HA VAL A 16 -9.287 -2.317 -11.372 1.00 1.00 H +ATOM 229 HB VAL A 16 -9.156 0.207 -11.149 1.00 1.00 H +ATOM 230 HG11 VAL A 16 -8.706 -0.097 -14.099 1.00 1.00 H +ATOM 231 HG12 VAL A 16 -9.664 1.283 -13.511 1.00 1.00 H +ATOM 232 HG13 VAL A 16 -7.991 1.056 -12.947 1.00 1.00 H +ATOM 233 HG21 VAL A 16 -11.222 -1.020 -13.006 1.00 1.00 H +ATOM 234 HG22 VAL A 16 -11.283 -0.965 -11.228 1.00 1.00 H +ATOM 235 HG23 VAL A 16 -11.394 0.542 -12.170 1.00 1.00 H +ATOM 236 N SER A 17 -9.671 -3.228 -13.652 1.00 1.00 N +ATOM 237 CA SER A 17 -9.767 -3.938 -14.916 1.00 1.00 C +ATOM 238 C SER A 17 -10.227 -2.984 -16.020 1.00 1.00 C +ATOM 239 O SER A 17 -11.397 -2.606 -16.071 1.00 1.00 O +ATOM 240 CB SER A 17 -10.723 -5.127 -14.809 1.00 1.00 C +ATOM 241 OG SER A 17 -10.232 -6.130 -13.924 1.00 1.00 O +ATOM 242 H SER A 17 -10.376 -3.460 -12.983 1.00 1.00 H +ATOM 243 HA SER A 17 -8.758 -4.301 -15.121 1.00 1.00 H +ATOM 244 HB2 SER A 17 -11.696 -4.780 -14.458 1.00 1.00 H +ATOM 245 HB3 SER A 17 -10.877 -5.561 -15.797 1.00 1.00 H +ATOM 246 HG SER A 17 -9.427 -6.572 -14.320 1.00 1.00 H +ATOM 247 N ARG A 18 -9.284 -2.622 -16.876 1.00 1.00 N +ATOM 248 CA ARG A 18 -9.578 -1.720 -17.977 1.00 1.00 C +ATOM 249 C ARG A 18 -10.844 -2.169 -18.707 1.00 1.00 C +ATOM 250 O ARG A 18 -11.694 -1.347 -19.048 1.00 1.00 O +ATOM 251 CB ARG A 18 -8.417 -1.665 -18.971 1.00 1.00 C +ATOM 252 CG ARG A 18 -8.912 -1.316 -20.376 1.00 1.00 C +ATOM 253 CD ARG A 18 -8.997 -2.567 -21.253 1.00 1.00 C +ATOM 254 NE ARG A 18 -7.647 -3.139 -21.451 1.00 1.00 N +ATOM 255 CZ ARG A 18 -6.688 -2.562 -22.190 1.00 1.00 C +ATOM 256 NH1 ARG A 18 -6.928 -1.395 -22.804 1.00 1.00 N +ATOM 257 NH2 ARG A 18 -5.492 -3.153 -22.315 1.00 1.00 N +ATOM 258 H ARG A 18 -8.334 -2.934 -16.830 1.00 1.00 H +ATOM 259 HA ARG A 18 -9.720 -0.746 -17.508 1.00 1.00 H +ATOM 260 HB2 ARG A 18 -7.688 -0.924 -18.644 1.00 1.00 H +ATOM 261 HB3 ARG A 18 -7.904 -2.627 -18.990 1.00 1.00 H +ATOM 262 HG2 ARG A 18 -9.893 -0.846 -20.313 1.00 1.00 H +ATOM 263 HG3 ARG A 18 -8.240 -0.592 -20.834 1.00 1.00 H +ATOM 264 HD2 ARG A 18 -9.648 -3.306 -20.786 1.00 1.00 H +ATOM 265 HD3 ARG A 18 -9.440 -2.315 -22.217 1.00 1.00 H +ATOM 266 HE ARG A 18 -7.436 -4.009 -21.008 1.00 1.00 H +ATOM 267 HH11 ARG A 18 -7.819 -0.954 -22.711 1.00 1.00 H +ATOM 268 HH12 ARG A 18 -6.211 -0.965 -23.356 1.00 1.00 H +ATOM 269 HH21 ARG A 18 -5.315 -4.024 -21.858 1.00 1.00 H +ATOM 270 HH22 ARG A 18 -4.776 -2.723 -22.865 1.00 1.00 H +ATOM 271 N ASN A 19 -10.933 -3.473 -18.926 1.00 1.00 N +ATOM 272 CA ASN A 19 -12.082 -4.041 -19.610 1.00 1.00 C +ATOM 273 C ASN A 19 -13.364 -3.570 -18.921 1.00 1.00 C +ATOM 274 O ASN A 19 -14.275 -3.065 -19.574 1.00 1.00 O +ATOM 275 CB ASN A 19 -12.053 -5.570 -19.561 1.00 1.00 C +ATOM 276 CG ASN A 19 -11.851 -6.160 -20.958 1.00 1.00 C +ATOM 277 OD1 ASN A 19 -11.070 -5.672 -21.759 1.00 1.00 O +ATOM 278 ND2 ASN A 19 -12.596 -7.233 -21.203 1.00 1.00 N +ATOM 279 H ASN A 19 -10.238 -4.134 -18.646 1.00 1.00 H +ATOM 280 HA ASN A 19 -12.008 -3.686 -20.637 1.00 1.00 H +ATOM 281 HB2 ASN A 19 -11.248 -5.900 -18.903 1.00 1.00 H +ATOM 282 HB3 ASN A 19 -12.985 -5.941 -19.136 1.00 1.00 H +ATOM 283 HD21 ASN A 19 -13.216 -7.582 -20.502 1.00 1.00 H +ATOM 284 HD22 ASN A 19 -12.535 -7.692 -22.091 1.00 1.00 H +ATOM 285 N ALA A 20 -13.394 -3.753 -17.609 1.00 1.00 N +ATOM 286 CA ALA A 20 -14.549 -3.353 -16.823 1.00 1.00 C +ATOM 287 C ALA A 20 -14.683 -1.830 -16.859 1.00 1.00 C +ATOM 288 O ALA A 20 -15.780 -1.304 -17.034 1.00 1.00 O +ATOM 289 CB ALA A 20 -14.410 -3.895 -15.399 1.00 1.00 C +ATOM 290 H ALA A 20 -12.648 -4.165 -17.084 1.00 1.00 H +ATOM 291 HA ALA A 20 -15.433 -3.799 -17.282 1.00 1.00 H +ATOM 292 HB1 ALA A 20 -13.365 -3.850 -15.094 1.00 1.00 H +ATOM 293 HB2 ALA A 20 -15.012 -3.289 -14.720 1.00 1.00 H +ATOM 294 HB3 ALA A 20 -14.755 -4.929 -15.367 1.00 1.00 H +ATOM 295 N ALA A 21 -13.550 -1.165 -16.687 1.00 1.00 N +ATOM 296 CA ALA A 21 -13.526 0.288 -16.698 1.00 1.00 C +ATOM 297 C ALA A 21 -14.400 0.800 -17.845 1.00 1.00 C +ATOM 298 O ALA A 21 -15.205 1.710 -17.657 1.00 1.00 O +ATOM 299 CB ALA A 21 -12.080 0.774 -16.805 1.00 1.00 C +ATOM 300 H ALA A 21 -12.661 -1.601 -16.546 1.00 1.00 H +ATOM 301 HA ALA A 21 -13.943 0.632 -15.752 1.00 1.00 H +ATOM 302 HB1 ALA A 21 -11.481 0.024 -17.322 1.00 1.00 H +ATOM 303 HB2 ALA A 21 -12.051 1.709 -17.365 1.00 1.00 H +ATOM 304 HB3 ALA A 21 -11.676 0.937 -15.807 1.00 1.00 H +ATOM 305 N GLU A 22 -14.212 0.192 -19.007 1.00 1.00 N +ATOM 306 CA GLU A 22 -14.974 0.575 -20.183 1.00 1.00 C +ATOM 307 C GLU A 22 -16.441 0.175 -20.019 1.00 1.00 C +ATOM 308 O GLU A 22 -17.337 0.879 -20.484 1.00 1.00 O +ATOM 309 CB GLU A 22 -14.375 -0.042 -21.449 1.00 1.00 C +ATOM 310 CG GLU A 22 -12.959 -0.559 -21.189 1.00 1.00 C +ATOM 311 CD GLU A 22 -12.170 -0.678 -22.496 1.00 1.00 C +ATOM 312 OE1 GLU A 22 -12.778 -1.138 -23.485 1.00 1.00 O +ATOM 313 OE2 GLU A 22 -10.977 -0.304 -22.474 1.00 1.00 O +ATOM 314 H GLU A 22 -13.555 -0.548 -19.151 1.00 1.00 H +ATOM 315 HA GLU A 22 -14.890 1.660 -20.241 1.00 1.00 H +ATOM 316 HB2 GLU A 22 -15.007 -0.861 -21.792 1.00 1.00 H +ATOM 317 HB3 GLU A 22 -14.355 0.700 -22.246 1.00 1.00 H +ATOM 318 HG2 GLU A 22 -12.440 0.116 -20.507 1.00 1.00 H +ATOM 319 HG3 GLU A 22 -13.006 -1.531 -20.701 1.00 1.00 H +ATOM 320 N TYR A 23 -16.643 -0.955 -19.358 1.00 1.00 N +ATOM 321 CA TYR A 23 -17.986 -1.458 -19.126 1.00 1.00 C +ATOM 322 C TYR A 23 -18.715 -0.613 -18.079 1.00 1.00 C +ATOM 323 O TYR A 23 -19.759 -0.027 -18.364 1.00 1.00 O +ATOM 324 CB TYR A 23 -17.819 -2.880 -18.589 1.00 1.00 C +ATOM 325 CG TYR A 23 -19.139 -3.596 -18.298 1.00 1.00 C +ATOM 326 CD1 TYR A 23 -19.797 -4.267 -19.310 1.00 1.00 C +ATOM 327 CD2 TYR A 23 -19.673 -3.570 -17.027 1.00 1.00 C +ATOM 328 CE1 TYR A 23 -21.041 -4.941 -19.036 1.00 1.00 C +ATOM 329 CE2 TYR A 23 -20.916 -4.243 -16.752 1.00 1.00 C +ATOM 330 CZ TYR A 23 -21.539 -4.895 -17.771 1.00 1.00 C +ATOM 331 OH TYR A 23 -22.713 -5.531 -17.513 1.00 1.00 O +ATOM 332 H TYR A 23 -15.910 -1.522 -18.983 1.00 1.00 H +ATOM 333 HA TYR A 23 -18.532 -1.404 -20.068 1.00 1.00 H +ATOM 334 HB2 TYR A 23 -17.252 -3.466 -19.314 1.00 1.00 H +ATOM 335 HB3 TYR A 23 -17.228 -2.845 -17.674 1.00 1.00 H +ATOM 336 HD1 TYR A 23 -19.376 -4.287 -20.315 1.00 1.00 H +ATOM 337 HD2 TYR A 23 -19.154 -3.039 -16.228 1.00 1.00 H +ATOM 338 HE1 TYR A 23 -21.570 -5.474 -19.825 1.00 1.00 H +ATOM 339 HE2 TYR A 23 -21.348 -4.231 -15.753 1.00 1.00 H +ATOM 340 HH TYR A 23 -23.430 -4.861 -17.322 1.00 1.00 H +ATOM 341 N LEU A 24 -18.137 -0.577 -16.887 1.00 1.00 N +ATOM 342 CA LEU A 24 -18.717 0.187 -15.796 1.00 1.00 C +ATOM 343 C LEU A 24 -18.778 1.664 -16.188 1.00 1.00 C +ATOM 344 O LEU A 24 -19.417 2.465 -15.507 1.00 1.00 O +ATOM 345 CB LEU A 24 -17.956 -0.073 -14.494 1.00 1.00 C +ATOM 346 CG LEU A 24 -18.805 -0.483 -13.290 1.00 1.00 C +ATOM 347 CD1 LEU A 24 -17.927 -1.017 -12.156 1.00 1.00 C +ATOM 348 CD2 LEU A 24 -19.696 0.671 -12.830 1.00 1.00 C +ATOM 349 H LEU A 24 -17.288 -1.056 -16.663 1.00 1.00 H +ATOM 350 HA LEU A 24 -19.735 -0.175 -15.651 1.00 1.00 H +ATOM 351 HB2 LEU A 24 -17.219 -0.857 -14.678 1.00 1.00 H +ATOM 352 HB3 LEU A 24 -17.402 0.829 -14.235 1.00 1.00 H +ATOM 353 HG LEU A 24 -19.464 -1.296 -13.598 1.00 1.00 H +ATOM 354 HD11 LEU A 24 -17.012 -0.429 -12.098 1.00 1.00 H +ATOM 355 HD12 LEU A 24 -18.470 -0.945 -11.214 1.00 1.00 H +ATOM 356 HD13 LEU A 24 -17.676 -2.060 -12.352 1.00 1.00 H +ATOM 357 HD21 LEU A 24 -19.837 1.372 -13.653 1.00 1.00 H +ATOM 358 HD22 LEU A 24 -20.664 0.280 -12.516 1.00 1.00 H +ATOM 359 HD23 LEU A 24 -19.223 1.184 -11.992 1.00 1.00 H +ATOM 360 N LEU A 25 -18.105 1.981 -17.283 1.00 1.00 N +ATOM 361 CA LEU A 25 -18.074 3.348 -17.776 1.00 1.00 C +ATOM 362 C LEU A 25 -19.504 3.822 -18.042 1.00 1.00 C +ATOM 363 O LEU A 25 -20.448 3.342 -17.415 1.00 1.00 O +ATOM 364 CB LEU A 25 -17.153 3.460 -18.991 1.00 1.00 C +ATOM 365 CG LEU A 25 -16.129 4.597 -18.954 1.00 1.00 C +ATOM 366 CD1 LEU A 25 -16.759 5.886 -18.424 1.00 1.00 C +ATOM 367 CD2 LEU A 25 -14.890 4.193 -18.152 1.00 1.00 C +ATOM 368 H LEU A 25 -17.587 1.324 -17.833 1.00 1.00 H +ATOM 369 HA LEU A 25 -17.645 3.969 -16.988 1.00 1.00 H +ATOM 370 HB2 LEU A 25 -16.615 2.518 -19.104 1.00 1.00 H +ATOM 371 HB3 LEU A 25 -17.770 3.583 -19.880 1.00 1.00 H +ATOM 372 HG LEU A 25 -15.801 4.795 -19.974 1.00 1.00 H +ATOM 373 HD11 LEU A 25 -17.721 5.658 -17.966 1.00 1.00 H +ATOM 374 HD12 LEU A 25 -16.100 6.334 -17.681 1.00 1.00 H +ATOM 375 HD13 LEU A 25 -16.907 6.585 -19.248 1.00 1.00 H +ATOM 376 HD21 LEU A 25 -15.195 3.816 -17.176 1.00 1.00 H +ATOM 377 HD22 LEU A 25 -14.347 3.415 -18.689 1.00 1.00 H +ATOM 378 HD23 LEU A 25 -14.243 5.061 -18.019 1.00 1.00 H +ATOM 379 N SER A 26 -19.620 4.757 -18.973 1.00 1.00 N +ATOM 380 CA SER A 26 -20.918 5.302 -19.329 1.00 1.00 C +ATOM 381 C SER A 26 -21.223 6.534 -18.476 1.00 1.00 C +ATOM 382 O SER A 26 -20.453 6.879 -17.579 1.00 1.00 O +ATOM 383 CB SER A 26 -22.020 4.253 -19.161 1.00 1.00 C +ATOM 384 OG SER A 26 -21.573 2.947 -19.515 1.00 1.00 O +ATOM 385 H SER A 26 -18.847 5.143 -19.477 1.00 1.00 H +ATOM 386 HA SER A 26 -20.837 5.576 -20.381 1.00 1.00 H +ATOM 387 HB2 SER A 26 -22.362 4.250 -18.126 1.00 1.00 H +ATOM 388 HB3 SER A 26 -22.876 4.524 -19.778 1.00 1.00 H +ATOM 389 HG SER A 26 -22.357 2.367 -19.738 1.00 1.00 H +ATOM 390 N SER A 27 -22.348 7.164 -18.781 1.00 1.00 N +ATOM 391 CA SER A 27 -22.763 8.350 -18.052 1.00 1.00 C +ATOM 392 C SER A 27 -21.779 9.493 -18.309 1.00 1.00 C +ATOM 393 O SER A 27 -22.100 10.445 -19.019 1.00 1.00 O +ATOM 394 CB SER A 27 -22.867 8.067 -16.552 1.00 1.00 C +ATOM 395 OG SER A 27 -23.689 6.934 -16.279 1.00 1.00 O +ATOM 396 H SER A 27 -22.969 6.878 -19.512 1.00 1.00 H +ATOM 397 HA SER A 27 -23.750 8.599 -18.445 1.00 1.00 H +ATOM 398 HB2 SER A 27 -21.872 7.899 -16.145 1.00 1.00 H +ATOM 399 HB3 SER A 27 -23.276 8.941 -16.046 1.00 1.00 H +ATOM 400 HG SER A 27 -24.642 7.218 -16.184 1.00 1.00 H +ATOM 401 N GLY A 28 -20.601 9.361 -17.718 1.00 1.00 N +ATOM 402 CA GLY A 28 -19.569 10.372 -17.873 1.00 1.00 C +ATOM 403 C GLY A 28 -19.936 11.652 -17.121 1.00 1.00 C +ATOM 404 O GLY A 28 -21.100 12.047 -17.093 1.00 1.00 O +ATOM 405 H GLY A 28 -20.349 8.583 -17.143 1.00 1.00 H +ATOM 406 HA2 GLY A 28 -18.619 9.987 -17.503 1.00 1.00 H +ATOM 407 HA3 GLY A 28 -19.429 10.594 -18.932 1.00 1.00 H +ATOM 408 N ILE A 29 -18.921 12.264 -16.529 1.00 1.00 N +ATOM 409 CA ILE A 29 -19.123 13.492 -15.777 1.00 1.00 C +ATOM 410 C ILE A 29 -18.486 14.659 -16.535 1.00 1.00 C +ATOM 411 O ILE A 29 -18.246 14.564 -17.738 1.00 1.00 O +ATOM 412 CB ILE A 29 -18.607 13.334 -14.345 1.00 1.00 C +ATOM 413 CG1 ILE A 29 -17.892 11.993 -14.164 1.00 1.00 C +ATOM 414 CG2 ILE A 29 -19.738 13.523 -13.332 1.00 1.00 C +ATOM 415 CD1 ILE A 29 -17.335 11.856 -12.746 1.00 1.00 C +ATOM 416 H ILE A 29 -17.977 11.936 -16.554 1.00 1.00 H +ATOM 417 HA ILE A 29 -20.198 13.663 -15.715 1.00 1.00 H +ATOM 418 HB ILE A 29 -17.873 14.118 -14.157 1.00 1.00 H +ATOM 419 HG12 ILE A 29 -18.586 11.177 -14.366 1.00 1.00 H +ATOM 420 HG13 ILE A 29 -17.081 11.908 -14.887 1.00 1.00 H +ATOM 421 HG21 ILE A 29 -20.660 13.769 -13.857 1.00 1.00 H +ATOM 422 HG22 ILE A 29 -19.877 12.600 -12.767 1.00 1.00 H +ATOM 423 HG23 ILE A 29 -19.482 14.332 -12.647 1.00 1.00 H +ATOM 424 HD11 ILE A 29 -18.149 11.928 -12.026 1.00 1.00 H +ATOM 425 HD12 ILE A 29 -16.842 10.889 -12.641 1.00 1.00 H +ATOM 426 HD13 ILE A 29 -16.615 12.653 -12.561 1.00 1.00 H +ATOM 427 N ASN A 30 -18.233 15.730 -15.800 1.00 1.00 N +ATOM 428 CA ASN A 30 -17.629 16.915 -16.388 1.00 1.00 C +ATOM 429 C ASN A 30 -16.125 16.685 -16.557 1.00 1.00 C +ATOM 430 O ASN A 30 -15.418 17.545 -17.078 1.00 1.00 O +ATOM 431 CB ASN A 30 -17.822 18.137 -15.487 1.00 1.00 C +ATOM 432 CG ASN A 30 -18.955 17.905 -14.484 1.00 1.00 C +ATOM 433 OD1 ASN A 30 -18.986 16.922 -13.761 1.00 1.00 O +ATOM 434 ND2 ASN A 30 -19.879 18.860 -14.483 1.00 1.00 N +ATOM 435 H ASN A 30 -18.431 15.799 -14.822 1.00 1.00 H +ATOM 436 HA ASN A 30 -18.139 17.053 -17.341 1.00 1.00 H +ATOM 437 HB2 ASN A 30 -16.897 18.349 -14.954 1.00 1.00 H +ATOM 438 HB3 ASN A 30 -18.048 19.012 -16.098 1.00 1.00 H +ATOM 439 HD21 ASN A 30 -19.794 19.640 -15.101 1.00 1.00 H +ATOM 440 HD22 ASN A 30 -20.661 18.798 -13.860 1.00 1.00 H +ATOM 441 N GLY A 31 -15.683 15.521 -16.105 1.00 1.00 N +ATOM 442 CA GLY A 31 -14.277 15.168 -16.199 1.00 1.00 C +ATOM 443 C GLY A 31 -13.865 14.244 -15.050 1.00 1.00 C +ATOM 444 O GLY A 31 -13.730 14.687 -13.911 1.00 1.00 O +ATOM 445 H GLY A 31 -16.266 14.827 -15.681 1.00 1.00 H +ATOM 446 HA2 GLY A 31 -14.084 14.676 -17.152 1.00 1.00 H +ATOM 447 HA3 GLY A 31 -13.668 16.072 -16.178 1.00 1.00 H +ATOM 448 N SER A 32 -13.676 12.978 -15.391 1.00 1.00 N +ATOM 449 CA SER A 32 -13.284 11.988 -14.403 1.00 1.00 C +ATOM 450 C SER A 32 -12.285 11.005 -15.016 1.00 1.00 C +ATOM 451 O SER A 32 -12.382 10.669 -16.196 1.00 1.00 O +ATOM 452 CB SER A 32 -14.501 11.239 -13.859 1.00 1.00 C +ATOM 453 OG SER A 32 -14.540 9.887 -14.307 1.00 1.00 O +ATOM 454 H SER A 32 -13.788 12.626 -16.321 1.00 1.00 H +ATOM 455 HA SER A 32 -12.817 12.554 -13.597 1.00 1.00 H +ATOM 456 HB2 SER A 32 -14.481 11.258 -12.769 1.00 1.00 H +ATOM 457 HB3 SER A 32 -15.411 11.751 -14.170 1.00 1.00 H +ATOM 458 HG SER A 32 -15.489 9.579 -14.384 1.00 1.00 H +ATOM 459 N PHE A 33 -11.347 10.569 -14.188 1.00 1.00 N +ATOM 460 CA PHE A 33 -10.333 9.629 -14.634 1.00 1.00 C +ATOM 461 C PHE A 33 -9.928 8.682 -13.503 1.00 1.00 C +ATOM 462 O PHE A 33 -10.409 8.808 -12.378 1.00 1.00 O +ATOM 463 CB PHE A 33 -9.114 10.454 -15.052 1.00 1.00 C +ATOM 464 CG PHE A 33 -8.942 11.756 -14.265 1.00 1.00 C +ATOM 465 CD1 PHE A 33 -9.882 12.734 -14.356 1.00 1.00 C +ATOM 466 CD2 PHE A 33 -7.850 11.934 -13.475 1.00 1.00 C +ATOM 467 CE1 PHE A 33 -9.725 13.942 -13.627 1.00 1.00 C +ATOM 468 CE2 PHE A 33 -7.691 13.141 -12.745 1.00 1.00 C +ATOM 469 CZ PHE A 33 -8.632 14.119 -12.835 1.00 1.00 C +ATOM 470 H PHE A 33 -11.275 10.846 -13.229 1.00 1.00 H +ATOM 471 HA PHE A 33 -10.762 9.053 -15.452 1.00 1.00 H +ATOM 472 HB2 PHE A 33 -8.216 9.848 -14.929 1.00 1.00 H +ATOM 473 HB3 PHE A 33 -9.195 10.691 -16.112 1.00 1.00 H +ATOM 474 HD1 PHE A 33 -10.759 12.591 -14.989 1.00 1.00 H +ATOM 475 HD2 PHE A 33 -7.096 11.150 -13.402 1.00 1.00 H +ATOM 476 HE1 PHE A 33 -10.478 14.725 -13.700 1.00 1.00 H +ATOM 477 HE2 PHE A 33 -6.817 13.285 -12.111 1.00 1.00 H +ATOM 478 HZ PHE A 33 -8.511 15.047 -12.275 1.00 1.00 H +ATOM 479 N LEU A 34 -9.046 7.751 -13.840 1.00 1.00 N +ATOM 480 CA LEU A 34 -8.573 6.782 -12.868 1.00 1.00 C +ATOM 481 C LEU A 34 -7.233 6.209 -13.338 1.00 1.00 C +ATOM 482 O LEU A 34 -7.110 5.765 -14.478 1.00 1.00 O +ATOM 483 CB LEU A 34 -9.639 5.717 -12.608 1.00 1.00 C +ATOM 484 CG LEU A 34 -10.213 5.025 -13.845 1.00 1.00 C +ATOM 485 CD1 LEU A 34 -10.435 3.534 -13.587 1.00 1.00 C +ATOM 486 CD2 LEU A 34 -11.491 5.722 -14.320 1.00 1.00 C +ATOM 487 H LEU A 34 -8.660 7.654 -14.758 1.00 1.00 H +ATOM 488 HA LEU A 34 -8.410 7.312 -11.931 1.00 1.00 H +ATOM 489 HB2 LEU A 34 -9.213 4.955 -11.955 1.00 1.00 H +ATOM 490 HB3 LEU A 34 -10.461 6.181 -12.062 1.00 1.00 H +ATOM 491 HG LEU A 34 -9.484 5.107 -14.651 1.00 1.00 H +ATOM 492 HD11 LEU A 34 -9.693 3.174 -12.875 1.00 1.00 H +ATOM 493 HD12 LEU A 34 -11.435 3.381 -13.179 1.00 1.00 H +ATOM 494 HD13 LEU A 34 -10.337 2.985 -14.523 1.00 1.00 H +ATOM 495 HD21 LEU A 34 -11.399 6.796 -14.163 1.00 1.00 H +ATOM 496 HD22 LEU A 34 -11.641 5.520 -15.380 1.00 1.00 H +ATOM 497 HD23 LEU A 34 -12.343 5.344 -13.753 1.00 1.00 H +ATOM 498 N VAL A 35 -6.265 6.235 -12.434 1.00 1.00 N +ATOM 499 CA VAL A 35 -4.939 5.722 -12.741 1.00 1.00 C +ATOM 500 C VAL A 35 -4.923 4.207 -12.538 1.00 1.00 C +ATOM 501 O VAL A 35 -5.561 3.692 -11.619 1.00 1.00 O +ATOM 502 CB VAL A 35 -3.889 6.450 -11.900 1.00 1.00 C +ATOM 503 CG1 VAL A 35 -3.571 5.667 -10.624 1.00 1.00 C +ATOM 504 CG2 VAL A 35 -2.620 6.712 -12.713 1.00 1.00 C +ATOM 505 H VAL A 35 -6.374 6.596 -11.508 1.00 1.00 H +ATOM 506 HA VAL A 35 -4.739 5.938 -13.791 1.00 1.00 H +ATOM 507 HB VAL A 35 -4.305 7.414 -11.607 1.00 1.00 H +ATOM 508 HG11 VAL A 35 -4.464 5.137 -10.292 1.00 1.00 H +ATOM 509 HG12 VAL A 35 -2.775 4.951 -10.827 1.00 1.00 H +ATOM 510 HG13 VAL A 35 -3.249 6.359 -9.845 1.00 1.00 H +ATOM 511 HG21 VAL A 35 -2.881 6.832 -13.765 1.00 1.00 H +ATOM 512 HG22 VAL A 35 -2.140 7.621 -12.353 1.00 1.00 H +ATOM 513 HG23 VAL A 35 -1.937 5.871 -12.603 1.00 1.00 H +ATOM 514 N ARG A 36 -4.189 3.532 -13.410 1.00 1.00 N +ATOM 515 CA ARG A 36 -4.081 2.085 -13.337 1.00 1.00 C +ATOM 516 C ARG A 36 -2.611 1.662 -13.333 1.00 1.00 C +ATOM 517 O ARG A 36 -1.721 2.491 -13.516 1.00 1.00 O +ATOM 518 CB ARG A 36 -4.792 1.420 -14.516 1.00 1.00 C +ATOM 519 CG ARG A 36 -5.788 0.364 -14.032 1.00 1.00 C +ATOM 520 CD ARG A 36 -5.304 -1.046 -14.380 1.00 1.00 C +ATOM 521 NE ARG A 36 -5.639 -1.363 -15.785 1.00 1.00 N +ATOM 522 CZ ARG A 36 -5.757 -2.608 -16.268 1.00 1.00 C +ATOM 523 NH1 ARG A 36 -5.568 -3.660 -15.460 1.00 1.00 N +ATOM 524 NH2 ARG A 36 -6.065 -2.800 -17.558 1.00 1.00 N +ATOM 525 H ARG A 36 -3.673 3.958 -14.153 1.00 1.00 H +ATOM 526 HA ARG A 36 -4.570 1.816 -12.401 1.00 1.00 H +ATOM 527 HB2 ARG A 36 -5.315 2.175 -15.103 1.00 1.00 H +ATOM 528 HB3 ARG A 36 -4.058 0.957 -15.175 1.00 1.00 H +ATOM 529 HG2 ARG A 36 -5.919 0.451 -12.953 1.00 1.00 H +ATOM 530 HG3 ARG A 36 -6.763 0.540 -14.487 1.00 1.00 H +ATOM 531 HD2 ARG A 36 -4.227 -1.117 -14.229 1.00 1.00 H +ATOM 532 HD3 ARG A 36 -5.769 -1.774 -13.714 1.00 1.00 H +ATOM 533 HE ARG A 36 -5.787 -0.601 -16.416 1.00 1.00 H +ATOM 534 HH11 ARG A 36 -5.339 -3.516 -14.497 1.00 1.00 H +ATOM 535 HH12 ARG A 36 -5.655 -4.588 -15.819 1.00 1.00 H +ATOM 536 HH21 ARG A 36 -6.206 -2.016 -18.161 1.00 1.00 H +ATOM 537 HH22 ARG A 36 -6.153 -3.730 -17.917 1.00 1.00 H +ATOM 538 N GLU A 37 -2.400 0.371 -13.120 1.00 1.00 N +ATOM 539 CA GLU A 37 -1.053 -0.172 -13.090 1.00 1.00 C +ATOM 540 C GLU A 37 -0.783 -0.996 -14.352 1.00 1.00 C +ATOM 541 O GLU A 37 -1.601 -1.830 -14.739 1.00 1.00 O +ATOM 542 CB GLU A 37 -0.829 -1.012 -11.830 1.00 1.00 C +ATOM 543 CG GLU A 37 -0.105 -0.201 -10.754 1.00 1.00 C +ATOM 544 CD GLU A 37 0.345 -1.099 -9.599 1.00 1.00 C +ATOM 545 OE1 GLU A 37 -0.419 -2.036 -9.280 1.00 1.00 O +ATOM 546 OE2 GLU A 37 1.442 -0.829 -9.064 1.00 1.00 O +ATOM 547 H GLU A 37 -3.128 -0.297 -12.972 1.00 1.00 H +ATOM 548 HA GLU A 37 -0.392 0.693 -13.065 1.00 1.00 H +ATOM 549 HB2 GLU A 37 -1.787 -1.360 -11.445 1.00 1.00 H +ATOM 550 HB3 GLU A 37 -0.244 -1.898 -12.077 1.00 1.00 H +ATOM 551 HG2 GLU A 37 0.760 0.298 -11.189 1.00 1.00 H +ATOM 552 HG3 GLU A 37 -0.765 0.580 -10.374 1.00 1.00 H +ATOM 553 N SER A 38 0.365 -0.735 -14.956 1.00 1.00 N +ATOM 554 CA SER A 38 0.752 -1.440 -16.166 1.00 1.00 C +ATOM 555 C SER A 38 1.256 -2.842 -15.815 1.00 1.00 C +ATOM 556 O SER A 38 2.324 -3.251 -16.266 1.00 1.00 O +ATOM 557 CB SER A 38 1.826 -0.667 -16.935 1.00 1.00 C +ATOM 558 OG SER A 38 1.288 0.017 -18.063 1.00 1.00 O +ATOM 559 H SER A 38 1.025 -0.054 -14.634 1.00 1.00 H +ATOM 560 HA SER A 38 -0.155 -1.498 -16.768 1.00 1.00 H +ATOM 561 HB2 SER A 38 2.302 0.053 -16.268 1.00 1.00 H +ATOM 562 HB3 SER A 38 2.602 -1.357 -17.266 1.00 1.00 H +ATOM 563 HG SER A 38 1.189 -0.616 -18.831 1.00 1.00 H +ATOM 564 N GLU A 39 0.462 -3.537 -15.015 1.00 1.00 N +ATOM 565 CA GLU A 39 0.813 -4.885 -14.599 1.00 1.00 C +ATOM 566 C GLU A 39 2.176 -4.887 -13.902 1.00 1.00 C +ATOM 567 O GLU A 39 2.952 -3.943 -14.047 1.00 1.00 O +ATOM 568 CB GLU A 39 0.805 -5.846 -15.790 1.00 1.00 C +ATOM 569 CG GLU A 39 1.015 -7.289 -15.330 1.00 1.00 C +ATOM 570 CD GLU A 39 0.516 -8.279 -16.386 1.00 1.00 C +ATOM 571 OE1 GLU A 39 1.290 -8.534 -17.333 1.00 1.00 O +ATOM 572 OE2 GLU A 39 -0.627 -8.758 -16.219 1.00 1.00 O +ATOM 573 H GLU A 39 -0.406 -3.197 -14.653 1.00 1.00 H +ATOM 574 HA GLU A 39 0.036 -5.183 -13.894 1.00 1.00 H +ATOM 575 HB2 GLU A 39 -0.143 -5.764 -16.321 1.00 1.00 H +ATOM 576 HB3 GLU A 39 1.590 -5.566 -16.493 1.00 1.00 H +ATOM 577 HG2 GLU A 39 2.074 -7.463 -15.134 1.00 1.00 H +ATOM 578 HG3 GLU A 39 0.487 -7.457 -14.392 1.00 1.00 H +ATOM 579 N SER A 40 2.424 -5.955 -13.161 1.00 1.00 N +ATOM 580 CA SER A 40 3.679 -6.093 -12.442 1.00 1.00 C +ATOM 581 C SER A 40 4.818 -5.476 -13.254 1.00 1.00 C +ATOM 582 O SER A 40 5.386 -6.127 -14.129 1.00 1.00 O +ATOM 583 CB SER A 40 3.980 -7.561 -12.136 1.00 1.00 C +ATOM 584 OG SER A 40 4.272 -8.303 -13.316 1.00 1.00 O +ATOM 585 H SER A 40 1.786 -6.719 -13.050 1.00 1.00 H +ATOM 586 HA SER A 40 3.537 -5.549 -11.508 1.00 1.00 H +ATOM 587 HB2 SER A 40 4.826 -7.622 -11.450 1.00 1.00 H +ATOM 588 HB3 SER A 40 3.127 -8.008 -11.627 1.00 1.00 H +ATOM 589 HG SER A 40 5.143 -8.786 -13.211 1.00 1.00 H +ATOM 590 N SER A 41 5.119 -4.226 -12.936 1.00 1.00 N +ATOM 591 CA SER A 41 6.182 -3.512 -13.625 1.00 1.00 C +ATOM 592 C SER A 41 7.144 -2.896 -12.609 1.00 1.00 C +ATOM 593 O SER A 41 6.823 -2.795 -11.426 1.00 1.00 O +ATOM 594 CB SER A 41 5.611 -2.428 -14.542 1.00 1.00 C +ATOM 595 OG SER A 41 4.314 -2.007 -14.128 1.00 1.00 O +ATOM 596 H SER A 41 4.653 -3.701 -12.222 1.00 1.00 H +ATOM 597 HA SER A 41 6.690 -4.265 -14.228 1.00 1.00 H +ATOM 598 HB2 SER A 41 6.284 -1.569 -14.551 1.00 1.00 H +ATOM 599 HB3 SER A 41 5.562 -2.804 -15.562 1.00 1.00 H +ATOM 600 HG SER A 41 3.682 -2.037 -14.903 1.00 1.00 H +ATOM 601 N PRO A 42 8.337 -2.489 -13.121 1.00 1.00 N +ATOM 602 CA PRO A 42 9.349 -1.886 -12.271 1.00 1.00 C +ATOM 603 C PRO A 42 8.975 -0.447 -11.908 1.00 1.00 C +ATOM 604 O PRO A 42 9.674 0.203 -11.134 1.00 1.00 O +ATOM 605 CB PRO A 42 10.639 -1.981 -13.066 1.00 1.00 C +ATOM 606 CG PRO A 42 10.222 -2.207 -14.511 1.00 1.00 C +ATOM 607 CD PRO A 42 8.751 -2.593 -14.516 1.00 1.00 C +ATOM 608 HA PRO A 42 9.412 -2.379 -11.402 1.00 1.00 H +ATOM 609 HB2 PRO A 42 11.228 -1.068 -12.969 1.00 1.00 H +ATOM 610 HB3 PRO A 42 11.263 -2.800 -12.706 1.00 1.00 H +ATOM 611 HG2 PRO A 42 10.383 -1.305 -15.100 1.00 1.00 H +ATOM 612 HG3 PRO A 42 10.825 -2.995 -14.963 1.00 1.00 H +ATOM 613 HD2 PRO A 42 8.171 -1.926 -15.153 1.00 1.00 H +ATOM 614 HD3 PRO A 42 8.609 -3.603 -14.899 1.00 1.00 H +ATOM 615 N GLY A 43 7.872 0.006 -12.486 1.00 1.00 N +ATOM 616 CA GLY A 43 7.396 1.356 -12.233 1.00 1.00 C +ATOM 617 C GLY A 43 6.575 1.878 -13.415 1.00 1.00 C +ATOM 618 O GLY A 43 6.741 3.023 -13.832 1.00 1.00 O +ATOM 619 H GLY A 43 7.307 -0.531 -13.114 1.00 1.00 H +ATOM 620 HA2 GLY A 43 6.786 1.367 -11.329 1.00 1.00 H +ATOM 621 HA3 GLY A 43 8.244 2.017 -12.054 1.00 1.00 H +ATOM 622 N GLN A 44 5.709 1.013 -13.920 1.00 1.00 N +ATOM 623 CA GLN A 44 4.863 1.373 -15.045 1.00 1.00 C +ATOM 624 C GLN A 44 3.404 1.488 -14.597 1.00 1.00 C +ATOM 625 O GLN A 44 2.894 0.612 -13.899 1.00 1.00 O +ATOM 626 CB GLN A 44 5.007 0.361 -16.184 1.00 1.00 C +ATOM 627 CG GLN A 44 6.449 0.312 -16.693 1.00 1.00 C +ATOM 628 CD GLN A 44 6.534 0.776 -18.149 1.00 1.00 C +ATOM 629 OE1 GLN A 44 6.337 0.015 -19.082 1.00 1.00 O +ATOM 630 NE2 GLN A 44 6.835 2.063 -18.290 1.00 1.00 N +ATOM 631 H GLN A 44 5.580 0.083 -13.574 1.00 1.00 H +ATOM 632 HA GLN A 44 5.224 2.343 -15.381 1.00 1.00 H +ATOM 633 HB2 GLN A 44 4.705 -0.627 -15.840 1.00 1.00 H +ATOM 634 HB3 GLN A 44 4.339 0.632 -17.002 1.00 1.00 H +ATOM 635 HG2 GLN A 44 7.080 0.944 -16.069 1.00 1.00 H +ATOM 636 HG3 GLN A 44 6.832 -0.705 -16.609 1.00 1.00 H +ATOM 637 HE21 GLN A 44 6.984 2.634 -17.482 1.00 1.00 H +ATOM 638 HE22 GLN A 44 6.913 2.462 -19.203 1.00 1.00 H +ATOM 639 N ARG A 45 2.774 2.575 -15.016 1.00 1.00 N +ATOM 640 CA ARG A 45 1.385 2.817 -14.666 1.00 1.00 C +ATOM 641 C ARG A 45 0.587 3.215 -15.909 1.00 1.00 C +ATOM 642 O ARG A 45 1.164 3.567 -16.936 1.00 1.00 O +ATOM 643 CB ARG A 45 1.265 3.925 -13.616 1.00 1.00 C +ATOM 644 CG ARG A 45 2.361 3.795 -12.556 1.00 1.00 C +ATOM 645 CD ARG A 45 2.115 2.581 -11.659 1.00 1.00 C +ATOM 646 NE ARG A 45 1.894 3.019 -10.262 1.00 1.00 N +ATOM 647 CZ ARG A 45 2.290 2.325 -9.185 1.00 1.00 C +ATOM 648 NH1 ARG A 45 2.927 1.158 -9.339 1.00 1.00 N +ATOM 649 NH2 ARG A 45 2.046 2.800 -7.956 1.00 1.00 N +ATOM 650 H ARG A 45 3.196 3.283 -15.583 1.00 1.00 H +ATOM 651 HA ARG A 45 1.032 1.871 -14.258 1.00 1.00 H +ATOM 652 HB2 ARG A 45 1.336 4.898 -14.101 1.00 1.00 H +ATOM 653 HB3 ARG A 45 0.286 3.875 -13.141 1.00 1.00 H +ATOM 654 HG2 ARG A 45 3.333 3.702 -13.041 1.00 1.00 H +ATOM 655 HG3 ARG A 45 2.394 4.699 -11.949 1.00 1.00 H +ATOM 656 HD2 ARG A 45 1.248 2.024 -12.015 1.00 1.00 H +ATOM 657 HD3 ARG A 45 2.968 1.904 -11.705 1.00 1.00 H +ATOM 658 HE ARG A 45 1.421 3.886 -10.113 1.00 1.00 H +ATOM 659 HH11 ARG A 45 3.109 0.803 -10.256 1.00 1.00 H +ATOM 660 HH12 ARG A 45 3.223 0.640 -8.535 1.00 1.00 H +ATOM 661 HH21 ARG A 45 1.570 3.673 -7.843 1.00 1.00 H +ATOM 662 HH22 ARG A 45 2.342 2.283 -7.153 1.00 1.00 H +ATOM 663 N SER A 46 -0.731 3.144 -15.774 1.00 1.00 N +ATOM 664 CA SER A 46 -1.615 3.493 -16.875 1.00 1.00 C +ATOM 665 C SER A 46 -2.569 4.609 -16.446 1.00 1.00 C +ATOM 666 O SER A 46 -2.573 5.015 -15.284 1.00 1.00 O +ATOM 667 CB SER A 46 -2.405 2.274 -17.352 1.00 1.00 C +ATOM 668 OG SER A 46 -2.033 1.878 -18.670 1.00 1.00 O +ATOM 669 H SER A 46 -1.192 2.857 -14.936 1.00 1.00 H +ATOM 670 HA SER A 46 -0.959 3.836 -17.674 1.00 1.00 H +ATOM 671 HB2 SER A 46 -2.241 1.443 -16.665 1.00 1.00 H +ATOM 672 HB3 SER A 46 -3.472 2.500 -17.329 1.00 1.00 H +ATOM 673 HG SER A 46 -2.014 0.881 -18.736 1.00 1.00 H +ATOM 674 N ILE A 47 -3.354 5.074 -17.406 1.00 1.00 N +ATOM 675 CA ILE A 47 -4.311 6.135 -17.142 1.00 1.00 C +ATOM 676 C ILE A 47 -5.649 5.784 -17.795 1.00 1.00 C +ATOM 677 O ILE A 47 -5.716 5.560 -19.002 1.00 1.00 O +ATOM 678 CB ILE A 47 -3.747 7.487 -17.585 1.00 1.00 C +ATOM 679 CG1 ILE A 47 -3.638 8.450 -16.401 1.00 1.00 C +ATOM 680 CG2 ILE A 47 -4.573 8.077 -18.730 1.00 1.00 C +ATOM 681 CD1 ILE A 47 -2.181 8.624 -15.968 1.00 1.00 C +ATOM 682 H ILE A 47 -3.345 4.737 -18.347 1.00 1.00 H +ATOM 683 HA ILE A 47 -4.455 6.184 -16.063 1.00 1.00 H +ATOM 684 HB ILE A 47 -2.738 7.328 -17.965 1.00 1.00 H +ATOM 685 HG12 ILE A 47 -4.057 9.417 -16.674 1.00 1.00 H +ATOM 686 HG13 ILE A 47 -4.225 8.072 -15.565 1.00 1.00 H +ATOM 687 HG21 ILE A 47 -5.605 8.208 -18.402 1.00 1.00 H +ATOM 688 HG22 ILE A 47 -4.157 9.043 -19.017 1.00 1.00 H +ATOM 689 HG23 ILE A 47 -4.545 7.401 -19.583 1.00 1.00 H +ATOM 690 HD11 ILE A 47 -1.521 8.301 -16.775 1.00 1.00 H +ATOM 691 HD12 ILE A 47 -1.991 9.673 -15.743 1.00 1.00 H +ATOM 692 HD13 ILE A 47 -1.990 8.021 -15.081 1.00 1.00 H +ATOM 693 N SER A 48 -6.682 5.746 -16.967 1.00 1.00 N +ATOM 694 CA SER A 48 -8.016 5.424 -17.449 1.00 1.00 C +ATOM 695 C SER A 48 -8.949 6.619 -17.240 1.00 1.00 C +ATOM 696 O SER A 48 -9.617 6.717 -16.212 1.00 1.00 O +ATOM 697 CB SER A 48 -8.573 4.186 -16.744 1.00 1.00 C +ATOM 698 OG SER A 48 -7.791 3.820 -15.610 1.00 1.00 O +ATOM 699 H SER A 48 -6.620 5.928 -15.986 1.00 1.00 H +ATOM 700 HA SER A 48 -7.896 5.214 -18.510 1.00 1.00 H +ATOM 701 HB2 SER A 48 -9.599 4.378 -16.430 1.00 1.00 H +ATOM 702 HB3 SER A 48 -8.606 3.354 -17.445 1.00 1.00 H +ATOM 703 HG SER A 48 -8.297 3.171 -15.042 1.00 1.00 H +ATOM 704 N LEU A 49 -8.964 7.498 -18.231 1.00 1.00 N +ATOM 705 CA LEU A 49 -9.804 8.681 -18.169 1.00 1.00 C +ATOM 706 C LEU A 49 -11.259 8.282 -18.418 1.00 1.00 C +ATOM 707 O LEU A 49 -11.537 7.155 -18.825 1.00 1.00 O +ATOM 708 CB LEU A 49 -9.288 9.755 -19.129 1.00 1.00 C +ATOM 709 CG LEU A 49 -9.333 11.195 -18.610 1.00 1.00 C +ATOM 710 CD1 LEU A 49 -7.989 11.599 -18.001 1.00 1.00 C +ATOM 711 CD2 LEU A 49 -9.776 12.160 -19.712 1.00 1.00 C +ATOM 712 H LEU A 49 -8.417 7.411 -19.064 1.00 1.00 H +ATOM 713 HA LEU A 49 -9.726 9.086 -17.161 1.00 1.00 H +ATOM 714 HB2 LEU A 49 -8.258 9.516 -19.389 1.00 1.00 H +ATOM 715 HB3 LEU A 49 -9.871 9.704 -20.048 1.00 1.00 H +ATOM 716 HG LEU A 49 -10.076 11.249 -17.815 1.00 1.00 H +ATOM 717 HD11 LEU A 49 -7.510 10.724 -17.562 1.00 1.00 H +ATOM 718 HD12 LEU A 49 -7.346 12.013 -18.779 1.00 1.00 H +ATOM 719 HD13 LEU A 49 -8.151 12.350 -17.228 1.00 1.00 H +ATOM 720 HD21 LEU A 49 -9.113 12.062 -20.570 1.00 1.00 H +ATOM 721 HD22 LEU A 49 -10.798 11.924 -20.011 1.00 1.00 H +ATOM 722 HD23 LEU A 49 -9.735 13.183 -19.337 1.00 1.00 H +ATOM 723 N ARG A 50 -12.152 9.229 -18.164 1.00 1.00 N +ATOM 724 CA ARG A 50 -13.573 8.990 -18.355 1.00 1.00 C +ATOM 725 C ARG A 50 -14.256 10.251 -18.888 1.00 1.00 C +ATOM 726 O ARG A 50 -14.321 11.265 -18.195 1.00 1.00 O +ATOM 727 CB ARG A 50 -14.242 8.570 -17.045 1.00 1.00 C +ATOM 728 CG ARG A 50 -15.682 9.084 -16.977 1.00 1.00 C +ATOM 729 CD ARG A 50 -16.584 8.087 -16.244 1.00 1.00 C +ATOM 730 NE ARG A 50 -17.230 8.747 -15.088 1.00 1.00 N +ATOM 731 CZ ARG A 50 -17.731 8.090 -14.032 1.00 1.00 C +ATOM 732 NH1 ARG A 50 -17.665 6.753 -13.981 1.00 1.00 N +ATOM 733 NH2 ARG A 50 -18.300 8.771 -13.027 1.00 1.00 N +ATOM 734 H ARG A 50 -11.918 10.143 -17.832 1.00 1.00 H +ATOM 735 HA ARG A 50 -13.622 8.180 -19.082 1.00 1.00 H +ATOM 736 HB2 ARG A 50 -14.235 7.483 -16.961 1.00 1.00 H +ATOM 737 HB3 ARG A 50 -13.673 8.958 -16.200 1.00 1.00 H +ATOM 738 HG2 ARG A 50 -15.704 10.045 -16.465 1.00 1.00 H +ATOM 739 HG3 ARG A 50 -16.060 9.249 -17.985 1.00 1.00 H +ATOM 740 HD2 ARG A 50 -17.343 7.702 -16.925 1.00 1.00 H +ATOM 741 HD3 ARG A 50 -15.997 7.233 -15.905 1.00 1.00 H +ATOM 742 HE ARG A 50 -17.298 9.744 -15.094 1.00 1.00 H +ATOM 743 HH11 ARG A 50 -17.240 6.244 -14.731 1.00 1.00 H +ATOM 744 HH12 ARG A 50 -18.039 6.262 -13.194 1.00 1.00 H +ATOM 745 HH21 ARG A 50 -18.351 9.769 -13.066 1.00 1.00 H +ATOM 746 HH22 ARG A 50 -18.675 8.281 -12.241 1.00 1.00 H +ATOM 747 N TYR A 51 -14.747 10.146 -20.114 1.00 1.00 N +ATOM 748 CA TYR A 51 -15.423 11.266 -20.747 1.00 1.00 C +ATOM 749 C TYR A 51 -16.940 11.072 -20.727 1.00 1.00 C +ATOM 750 O TYR A 51 -17.467 10.351 -19.882 1.00 1.00 O +ATOM 751 CB TYR A 51 -14.942 11.282 -22.199 1.00 1.00 C +ATOM 752 CG TYR A 51 -14.257 12.587 -22.614 1.00 1.00 C +ATOM 753 CD1 TYR A 51 -12.918 12.781 -22.341 1.00 1.00 C +ATOM 754 CD2 TYR A 51 -14.979 13.570 -23.260 1.00 1.00 C +ATOM 755 CE1 TYR A 51 -12.274 14.008 -22.730 1.00 1.00 C +ATOM 756 CE2 TYR A 51 -14.336 14.796 -23.650 1.00 1.00 C +ATOM 757 CZ TYR A 51 -13.015 14.956 -23.366 1.00 1.00 C +ATOM 758 OH TYR A 51 -12.407 16.115 -23.735 1.00 1.00 O +ATOM 759 H TYR A 51 -14.689 9.318 -20.670 1.00 1.00 H +ATOM 760 HA TYR A 51 -15.172 12.169 -20.190 1.00 1.00 H +ATOM 761 HB2 TYR A 51 -14.246 10.456 -22.351 1.00 1.00 H +ATOM 762 HB3 TYR A 51 -15.793 11.105 -22.855 1.00 1.00 H +ATOM 763 HD1 TYR A 51 -12.348 12.004 -21.830 1.00 1.00 H +ATOM 764 HD2 TYR A 51 -16.037 13.416 -23.476 1.00 1.00 H +ATOM 765 HE1 TYR A 51 -11.218 14.175 -22.522 1.00 1.00 H +ATOM 766 HE2 TYR A 51 -14.894 15.580 -24.161 1.00 1.00 H +ATOM 767 HH TYR A 51 -13.086 16.761 -24.086 1.00 1.00 H +ATOM 768 N GLU A 52 -17.600 11.730 -21.670 1.00 1.00 N +ATOM 769 CA GLU A 52 -19.047 11.639 -21.772 1.00 1.00 C +ATOM 770 C GLU A 52 -19.462 10.230 -22.197 1.00 1.00 C +ATOM 771 O GLU A 52 -20.098 10.053 -23.234 1.00 1.00 O +ATOM 772 CB GLU A 52 -19.596 12.688 -22.741 1.00 1.00 C +ATOM 773 CG GLU A 52 -20.670 13.546 -22.069 1.00 1.00 C +ATOM 774 CD GLU A 52 -20.087 14.337 -20.896 1.00 1.00 C +ATOM 775 OE1 GLU A 52 -19.612 15.465 -21.153 1.00 1.00 O +ATOM 776 OE2 GLU A 52 -20.130 13.797 -19.770 1.00 1.00 O +ATOM 777 H GLU A 52 -17.165 12.315 -22.353 1.00 1.00 H +ATOM 778 HA GLU A 52 -19.422 11.849 -20.769 1.00 1.00 H +ATOM 779 HB2 GLU A 52 -18.783 13.325 -23.090 1.00 1.00 H +ATOM 780 HB3 GLU A 52 -20.014 12.195 -23.618 1.00 1.00 H +ATOM 781 HG2 GLU A 52 -21.100 14.234 -22.798 1.00 1.00 H +ATOM 782 HG3 GLU A 52 -21.481 12.908 -21.716 1.00 1.00 H +ATOM 783 N GLY A 53 -19.086 9.262 -21.373 1.00 1.00 N +ATOM 784 CA GLY A 53 -19.411 7.873 -21.652 1.00 1.00 C +ATOM 785 C GLY A 53 -18.267 7.180 -22.393 1.00 1.00 C +ATOM 786 O GLY A 53 -18.475 6.165 -23.055 1.00 1.00 O +ATOM 787 H GLY A 53 -18.569 9.415 -20.532 1.00 1.00 H +ATOM 788 HA2 GLY A 53 -19.613 7.349 -20.717 1.00 1.00 H +ATOM 789 HA3 GLY A 53 -20.320 7.822 -22.250 1.00 1.00 H +ATOM 790 N ARG A 54 -17.080 7.757 -22.256 1.00 1.00 N +ATOM 791 CA ARG A 54 -15.902 7.206 -22.906 1.00 1.00 C +ATOM 792 C ARG A 54 -14.770 7.032 -21.891 1.00 1.00 C +ATOM 793 O ARG A 54 -14.796 7.633 -20.817 1.00 1.00 O +ATOM 794 CB ARG A 54 -15.425 8.114 -24.041 1.00 1.00 C +ATOM 795 CG ARG A 54 -15.235 7.320 -25.335 1.00 1.00 C +ATOM 796 CD ARG A 54 -14.981 8.253 -26.520 1.00 1.00 C +ATOM 797 NE ARG A 54 -16.270 8.689 -27.106 1.00 1.00 N +ATOM 798 CZ ARG A 54 -16.401 9.189 -28.342 1.00 1.00 C +ATOM 799 NH1 ARG A 54 -15.325 9.321 -29.130 1.00 1.00 N +ATOM 800 NH2 ARG A 54 -17.610 9.558 -28.790 1.00 1.00 N +ATOM 801 H ARG A 54 -16.918 8.583 -21.716 1.00 1.00 H +ATOM 802 HA ARG A 54 -16.225 6.244 -23.301 1.00 1.00 H +ATOM 803 HB2 ARG A 54 -16.149 8.912 -24.203 1.00 1.00 H +ATOM 804 HB3 ARG A 54 -14.485 8.589 -23.761 1.00 1.00 H +ATOM 805 HG2 ARG A 54 -14.397 6.631 -25.225 1.00 1.00 H +ATOM 806 HG3 ARG A 54 -16.122 6.715 -25.528 1.00 1.00 H +ATOM 807 HD2 ARG A 54 -14.410 9.122 -26.193 1.00 1.00 H +ATOM 808 HD3 ARG A 54 -14.384 7.742 -27.274 1.00 1.00 H +ATOM 809 HE ARG A 54 -17.093 8.604 -26.545 1.00 1.00 H +ATOM 810 HH11 ARG A 54 -14.424 9.046 -28.795 1.00 1.00 H +ATOM 811 HH12 ARG A 54 -15.424 9.696 -30.052 1.00 1.00 H +ATOM 812 HH21 ARG A 54 -18.412 9.460 -28.202 1.00 1.00 H +ATOM 813 HH22 ARG A 54 -17.706 9.932 -29.712 1.00 1.00 H +ATOM 814 N VAL A 55 -13.803 6.209 -22.268 1.00 1.00 N +ATOM 815 CA VAL A 55 -12.664 5.949 -21.404 1.00 1.00 C +ATOM 816 C VAL A 55 -11.381 5.975 -22.236 1.00 1.00 C +ATOM 817 O VAL A 55 -11.347 5.447 -23.346 1.00 1.00 O +ATOM 818 CB VAL A 55 -12.864 4.629 -20.655 1.00 1.00 C +ATOM 819 CG1 VAL A 55 -12.689 3.435 -21.596 1.00 1.00 C +ATOM 820 CG2 VAL A 55 -11.919 4.527 -19.458 1.00 1.00 C +ATOM 821 H VAL A 55 -13.789 5.726 -23.141 1.00 1.00 H +ATOM 822 HA VAL A 55 -12.620 6.751 -20.666 1.00 1.00 H +ATOM 823 HB VAL A 55 -13.887 4.610 -20.278 1.00 1.00 H +ATOM 824 HG11 VAL A 55 -11.807 3.588 -22.217 1.00 1.00 H +ATOM 825 HG12 VAL A 55 -12.567 2.524 -21.009 1.00 1.00 H +ATOM 826 HG13 VAL A 55 -13.569 3.340 -22.233 1.00 1.00 H +ATOM 827 HG21 VAL A 55 -10.945 4.939 -19.728 1.00 1.00 H +ATOM 828 HG22 VAL A 55 -12.332 5.089 -18.620 1.00 1.00 H +ATOM 829 HG23 VAL A 55 -11.804 3.481 -19.173 1.00 1.00 H +ATOM 830 N TYR A 56 -10.358 6.596 -21.668 1.00 1.00 N +ATOM 831 CA TYR A 56 -9.076 6.697 -22.345 1.00 1.00 C +ATOM 832 C TYR A 56 -7.997 5.911 -21.597 1.00 1.00 C +ATOM 833 O TYR A 56 -7.691 6.211 -20.445 1.00 1.00 O +ATOM 834 CB TYR A 56 -8.708 8.182 -22.331 1.00 1.00 C +ATOM 835 CG TYR A 56 -9.485 9.024 -23.346 1.00 1.00 C +ATOM 836 CD1 TYR A 56 -9.687 8.549 -24.626 1.00 1.00 C +ATOM 837 CD2 TYR A 56 -9.985 10.258 -22.981 1.00 1.00 C +ATOM 838 CE1 TYR A 56 -10.418 9.342 -25.580 1.00 1.00 C +ATOM 839 CE2 TYR A 56 -10.716 11.050 -23.935 1.00 1.00 C +ATOM 840 CZ TYR A 56 -10.896 10.553 -25.187 1.00 1.00 C +ATOM 841 OH TYR A 56 -11.587 11.302 -26.089 1.00 1.00 O +ATOM 842 H TYR A 56 -10.394 7.022 -20.765 1.00 1.00 H +ATOM 843 HA TYR A 56 -9.190 6.280 -23.346 1.00 1.00 H +ATOM 844 HB2 TYR A 56 -8.885 8.581 -21.332 1.00 1.00 H +ATOM 845 HB3 TYR A 56 -7.642 8.284 -22.531 1.00 1.00 H +ATOM 846 HD1 TYR A 56 -9.293 7.576 -24.915 1.00 1.00 H +ATOM 847 HD2 TYR A 56 -9.826 10.632 -21.969 1.00 1.00 H +ATOM 848 HE1 TYR A 56 -10.584 8.980 -26.595 1.00 1.00 H +ATOM 849 HE2 TYR A 56 -11.116 12.026 -23.659 1.00 1.00 H +ATOM 850 HH TYR A 56 -11.561 12.267 -25.825 1.00 1.00 H +ATOM 851 N HIS A 57 -7.449 4.919 -22.284 1.00 1.00 N +ATOM 852 CA HIS A 57 -6.410 4.087 -21.699 1.00 1.00 C +ATOM 853 C HIS A 57 -5.064 4.412 -22.351 1.00 1.00 C +ATOM 854 O HIS A 57 -4.823 4.045 -23.500 1.00 1.00 O +ATOM 855 CB HIS A 57 -6.778 2.606 -21.805 1.00 1.00 C +ATOM 856 CG HIS A 57 -7.854 2.170 -20.840 1.00 1.00 C +ATOM 857 ND1 HIS A 57 -9.120 1.790 -21.249 1.00 1.00 N +ATOM 858 CD2 HIS A 57 -7.839 2.057 -19.480 1.00 1.00 C +ATOM 859 CE1 HIS A 57 -9.826 1.466 -20.177 1.00 1.00 C +ATOM 860 NE2 HIS A 57 -9.032 1.633 -19.082 1.00 1.00 N +ATOM 861 H HIS A 57 -7.703 4.682 -23.222 1.00 1.00 H +ATOM 862 HA HIS A 57 -6.363 4.344 -20.642 1.00 1.00 H +ATOM 863 HB2 HIS A 57 -7.109 2.396 -22.822 1.00 1.00 H +ATOM 864 HB3 HIS A 57 -5.883 2.007 -21.631 1.00 1.00 H +ATOM 865 HD1 HIS A 57 -9.444 1.764 -22.195 1.00 1.00 H +ATOM 866 HD2 HIS A 57 -6.991 2.279 -18.830 1.00 1.00 H +ATOM 867 HE1 HIS A 57 -10.862 1.125 -20.171 1.00 1.00 H +ATOM 868 N TYR A 58 -4.225 5.098 -21.590 1.00 1.00 N +ATOM 869 CA TYR A 58 -2.910 5.477 -22.079 1.00 1.00 C +ATOM 870 C TYR A 58 -1.817 5.064 -21.090 1.00 1.00 C +ATOM 871 O TYR A 58 -1.853 5.449 -19.923 1.00 1.00 O +ATOM 872 CB TYR A 58 -2.926 7.002 -22.194 1.00 1.00 C +ATOM 873 CG TYR A 58 -2.538 7.525 -23.579 1.00 1.00 C +ATOM 874 CD1 TYR A 58 -3.382 7.323 -24.653 1.00 1.00 C +ATOM 875 CD2 TYR A 58 -1.348 8.200 -23.755 1.00 1.00 C +ATOM 876 CE1 TYR A 58 -3.017 7.815 -25.957 1.00 1.00 C +ATOM 877 CE2 TYR A 58 -0.983 8.692 -25.058 1.00 1.00 C +ATOM 878 CZ TYR A 58 -1.836 8.475 -26.095 1.00 1.00 C +ATOM 879 OH TYR A 58 -1.492 8.940 -27.325 1.00 1.00 O +ATOM 880 H TYR A 58 -4.430 5.393 -20.656 1.00 1.00 H +ATOM 881 HA TYR A 58 -2.744 4.966 -23.028 1.00 1.00 H +ATOM 882 HB2 TYR A 58 -3.924 7.364 -21.947 1.00 1.00 H +ATOM 883 HB3 TYR A 58 -2.243 7.420 -21.456 1.00 1.00 H +ATOM 884 HD1 TYR A 58 -4.323 6.790 -24.516 1.00 1.00 H +ATOM 885 HD2 TYR A 58 -0.683 8.359 -22.905 1.00 1.00 H +ATOM 886 HE1 TYR A 58 -3.673 7.662 -26.814 1.00 1.00 H +ATOM 887 HE2 TYR A 58 -0.046 9.226 -25.209 1.00 1.00 H +ATOM 888 HH TYR A 58 -0.534 9.222 -27.328 1.00 1.00 H +ATOM 889 N ARG A 59 -0.873 4.284 -21.594 1.00 1.00 N +ATOM 890 CA ARG A 59 0.229 3.814 -20.770 1.00 1.00 C +ATOM 891 C ARG A 59 1.201 4.961 -20.481 1.00 1.00 C +ATOM 892 O ARG A 59 1.627 5.664 -21.395 1.00 1.00 O +ATOM 893 CB ARG A 59 0.984 2.674 -21.457 1.00 1.00 C +ATOM 894 CG ARG A 59 0.284 1.334 -21.225 1.00 1.00 C +ATOM 895 CD ARG A 59 1.220 0.166 -21.539 1.00 1.00 C +ATOM 896 NE ARG A 59 0.515 -1.119 -21.329 1.00 1.00 N +ATOM 897 CZ ARG A 59 -0.469 -1.572 -22.116 1.00 1.00 C +ATOM 898 NH1 ARG A 59 -0.870 -0.850 -23.171 1.00 1.00 N +ATOM 899 NH2 ARG A 59 -1.053 -2.749 -21.849 1.00 1.00 N +ATOM 900 H ARG A 59 -0.850 3.974 -22.545 1.00 1.00 H +ATOM 901 HA ARG A 59 -0.242 3.458 -19.854 1.00 1.00 H +ATOM 902 HB2 ARG A 59 1.053 2.872 -22.527 1.00 1.00 H +ATOM 903 HB3 ARG A 59 2.004 2.628 -21.076 1.00 1.00 H +ATOM 904 HG2 ARG A 59 -0.049 1.269 -20.189 1.00 1.00 H +ATOM 905 HG3 ARG A 59 -0.606 1.271 -21.851 1.00 1.00 H +ATOM 906 HD2 ARG A 59 1.568 0.235 -22.570 1.00 1.00 H +ATOM 907 HD3 ARG A 59 2.103 0.214 -20.900 1.00 1.00 H +ATOM 908 HE ARG A 59 0.790 -1.682 -20.551 1.00 1.00 H +ATOM 909 HH11 ARG A 59 -0.435 0.028 -23.371 1.00 1.00 H +ATOM 910 HH12 ARG A 59 -1.604 -1.188 -23.759 1.00 1.00 H +ATOM 911 HH21 ARG A 59 -0.753 -3.288 -21.063 1.00 1.00 H +ATOM 912 HH22 ARG A 59 -1.787 -3.088 -22.437 1.00 1.00 H +ATOM 913 N ILE A 60 1.523 5.111 -19.204 1.00 1.00 N +ATOM 914 CA ILE A 60 2.437 6.159 -18.783 1.00 1.00 C +ATOM 915 C ILE A 60 3.847 5.831 -19.277 1.00 1.00 C +ATOM 916 O ILE A 60 4.343 4.726 -19.060 1.00 1.00 O +ATOM 917 CB ILE A 60 2.350 6.369 -17.269 1.00 1.00 C +ATOM 918 CG1 ILE A 60 0.999 6.970 -16.876 1.00 1.00 C +ATOM 919 CG2 ILE A 60 3.522 7.213 -16.764 1.00 1.00 C +ATOM 920 CD1 ILE A 60 0.769 6.859 -15.368 1.00 1.00 C +ATOM 921 H ILE A 60 1.172 4.535 -18.466 1.00 1.00 H +ATOM 922 HA ILE A 60 2.112 7.086 -19.254 1.00 1.00 H +ATOM 923 HB ILE A 60 2.422 5.395 -16.785 1.00 1.00 H +ATOM 924 HG12 ILE A 60 0.961 8.016 -17.178 1.00 1.00 H +ATOM 925 HG13 ILE A 60 0.199 6.455 -17.408 1.00 1.00 H +ATOM 926 HG21 ILE A 60 4.460 6.762 -17.087 1.00 1.00 H +ATOM 927 HG22 ILE A 60 3.445 8.221 -17.170 1.00 1.00 H +ATOM 928 HG23 ILE A 60 3.496 7.257 -15.676 1.00 1.00 H +ATOM 929 HD11 ILE A 60 1.722 6.700 -14.865 1.00 1.00 H +ATOM 930 HD12 ILE A 60 0.315 7.780 -15.000 1.00 1.00 H +ATOM 931 HD13 ILE A 60 0.105 6.019 -15.162 1.00 1.00 H +ATOM 932 N ASN A 61 4.452 6.809 -19.935 1.00 1.00 N +ATOM 933 CA ASN A 61 5.795 6.637 -20.463 1.00 1.00 C +ATOM 934 C ASN A 61 6.814 7.004 -19.381 1.00 1.00 C +ATOM 935 O ASN A 61 6.620 7.967 -18.641 1.00 1.00 O +ATOM 936 CB ASN A 61 6.035 7.550 -21.666 1.00 1.00 C +ATOM 937 CG ASN A 61 7.528 7.811 -21.867 1.00 1.00 C +ATOM 938 OD1 ASN A 61 8.369 6.952 -21.658 1.00 1.00 O +ATOM 939 ND2 ASN A 61 7.811 9.043 -22.285 1.00 1.00 N +ATOM 940 H ASN A 61 4.041 7.704 -20.108 1.00 1.00 H +ATOM 941 HA ASN A 61 5.856 5.589 -20.755 1.00 1.00 H +ATOM 942 HB2 ASN A 61 5.618 7.092 -22.563 1.00 1.00 H +ATOM 943 HB3 ASN A 61 5.512 8.496 -21.519 1.00 1.00 H +ATOM 944 HD21 ASN A 61 7.073 9.701 -22.437 1.00 1.00 H +ATOM 945 HD22 ASN A 61 8.761 9.311 -22.445 1.00 1.00 H +ATOM 946 N THR A 62 7.877 6.214 -19.324 1.00 1.00 N +ATOM 947 CA THR A 62 8.926 6.444 -18.346 1.00 1.00 C +ATOM 948 C THR A 62 10.214 6.892 -19.040 1.00 1.00 C +ATOM 949 O THR A 62 10.409 6.628 -20.225 1.00 1.00 O +ATOM 950 CB THR A 62 9.095 5.164 -17.524 1.00 1.00 C +ATOM 951 OG1 THR A 62 7.827 4.985 -16.898 1.00 1.00 O +ATOM 952 CG2 THR A 62 10.064 5.342 -16.354 1.00 1.00 C +ATOM 953 H THR A 62 8.027 5.434 -19.929 1.00 1.00 H +ATOM 954 HA THR A 62 8.615 7.258 -17.693 1.00 1.00 H +ATOM 955 HB THR A 62 9.396 4.331 -18.158 1.00 1.00 H +ATOM 956 HG1 THR A 62 7.292 5.827 -16.962 1.00 1.00 H +ATOM 957 HG21 THR A 62 10.935 5.906 -16.687 1.00 1.00 H +ATOM 958 HG22 THR A 62 9.568 5.882 -15.548 1.00 1.00 H +ATOM 959 HG23 THR A 62 10.381 4.364 -15.993 1.00 1.00 H +ATOM 960 N ALA A 63 11.060 7.563 -18.272 1.00 1.00 N +ATOM 961 CA ALA A 63 12.323 8.052 -18.798 1.00 1.00 C +ATOM 962 C ALA A 63 13.237 6.863 -19.104 1.00 1.00 C +ATOM 963 O ALA A 63 13.189 6.303 -20.199 1.00 1.00 O +ATOM 964 CB ALA A 63 12.950 9.026 -17.800 1.00 1.00 C +ATOM 965 H ALA A 63 10.894 7.774 -17.308 1.00 1.00 H +ATOM 966 HA ALA A 63 12.113 8.585 -19.725 1.00 1.00 H +ATOM 967 HB1 ALA A 63 13.032 8.546 -16.825 1.00 1.00 H +ATOM 968 HB2 ALA A 63 13.943 9.313 -18.148 1.00 1.00 H +ATOM 969 HB3 ALA A 63 12.323 9.914 -17.716 1.00 1.00 H +ATOM 970 N SER A 64 14.047 6.512 -18.118 1.00 1.00 N +ATOM 971 CA SER A 64 14.971 5.399 -18.267 1.00 1.00 C +ATOM 972 C SER A 64 15.500 4.970 -16.897 1.00 1.00 C +ATOM 973 O SER A 64 16.619 4.473 -16.788 1.00 1.00 O +ATOM 974 CB SER A 64 16.131 5.767 -19.193 1.00 1.00 C +ATOM 975 OG SER A 64 17.008 4.666 -19.413 1.00 1.00 O +ATOM 976 H SER A 64 14.080 6.971 -17.230 1.00 1.00 H +ATOM 977 HA SER A 64 14.386 4.598 -18.720 1.00 1.00 H +ATOM 978 HB2 SER A 64 15.737 6.114 -20.149 1.00 1.00 H +ATOM 979 HB3 SER A 64 16.691 6.596 -18.760 1.00 1.00 H +ATOM 980 HG SER A 64 17.622 4.866 -20.177 1.00 1.00 H +ATOM 981 N ASP A 65 14.669 5.177 -15.886 1.00 1.00 N +ATOM 982 CA ASP A 65 15.039 4.817 -14.528 1.00 1.00 C +ATOM 983 C ASP A 65 13.777 4.486 -13.730 1.00 1.00 C +ATOM 984 O ASP A 65 13.718 3.463 -13.049 1.00 1.00 O +ATOM 985 CB ASP A 65 15.751 5.977 -13.826 1.00 1.00 C +ATOM 986 CG ASP A 65 15.665 5.960 -12.299 1.00 1.00 C +ATOM 987 OD1 ASP A 65 15.724 4.843 -11.739 1.00 1.00 O +ATOM 988 OD2 ASP A 65 15.541 7.062 -11.724 1.00 1.00 O +ATOM 989 H ASP A 65 13.760 5.582 -15.983 1.00 1.00 H +ATOM 990 HA ASP A 65 15.705 3.962 -14.630 1.00 1.00 H +ATOM 991 HB2 ASP A 65 16.801 5.967 -14.116 1.00 1.00 H +ATOM 992 HB3 ASP A 65 15.329 6.914 -14.188 1.00 1.00 H +ATOM 993 N GLY A 66 12.797 5.371 -13.840 1.00 1.00 N +ATOM 994 CA GLY A 66 11.538 5.185 -13.137 1.00 1.00 C +ATOM 995 C GLY A 66 10.645 6.418 -13.277 1.00 1.00 C +ATOM 996 O GLY A 66 9.427 6.298 -13.403 1.00 1.00 O +ATOM 997 H GLY A 66 12.851 6.200 -14.397 1.00 1.00 H +ATOM 998 HA2 GLY A 66 11.021 4.311 -13.536 1.00 1.00 H +ATOM 999 HA3 GLY A 66 11.731 4.988 -12.085 1.00 1.00 H +ATOM 1000 N LYS A 67 11.284 7.579 -13.249 1.00 1.00 N +ATOM 1001 CA LYS A 67 10.563 8.835 -13.371 1.00 1.00 C +ATOM 1002 C LYS A 67 9.516 8.712 -14.478 1.00 1.00 C +ATOM 1003 O LYS A 67 9.769 8.092 -15.511 1.00 1.00 O +ATOM 1004 CB LYS A 67 11.539 9.996 -13.571 1.00 1.00 C +ATOM 1005 CG LYS A 67 12.696 9.588 -14.486 1.00 1.00 C +ATOM 1006 CD LYS A 67 14.034 9.673 -13.750 1.00 1.00 C +ATOM 1007 CE LYS A 67 14.823 10.908 -14.189 1.00 1.00 C +ATOM 1008 NZ LYS A 67 16.178 10.522 -14.640 1.00 1.00 N +ATOM 1009 H LYS A 67 12.276 7.670 -13.147 1.00 1.00 H +ATOM 1010 HA LYS A 67 10.047 9.008 -12.425 1.00 1.00 H +ATOM 1011 HB2 LYS A 67 11.012 10.848 -14.002 1.00 1.00 H +ATOM 1012 HB3 LYS A 67 11.930 10.319 -12.607 1.00 1.00 H +ATOM 1013 HG2 LYS A 67 12.538 8.570 -14.845 1.00 1.00 H +ATOM 1014 HG3 LYS A 67 12.716 10.235 -15.362 1.00 1.00 H +ATOM 1015 HD2 LYS A 67 13.858 9.711 -12.674 1.00 1.00 H +ATOM 1016 HD3 LYS A 67 14.619 8.773 -13.945 1.00 1.00 H +ATOM 1017 HE2 LYS A 67 14.295 11.416 -14.996 1.00 1.00 H +ATOM 1018 HE3 LYS A 67 14.897 11.612 -13.361 1.00 1.00 H +ATOM 1019 HZ1 LYS A 67 16.390 9.599 -14.315 1.00 1.00 H +ATOM 1020 HZ2 LYS A 67 16.214 10.538 -15.639 1.00 1.00 H +ATOM 1021 HZ3 LYS A 67 16.849 11.166 -14.273 1.00 1.00 H +ATOM 1022 N LEU A 68 8.361 9.311 -14.228 1.00 1.00 N +ATOM 1023 CA LEU A 68 7.275 9.276 -15.192 1.00 1.00 C +ATOM 1024 C LEU A 68 7.197 10.623 -15.915 1.00 1.00 C +ATOM 1025 O LEU A 68 6.861 11.638 -15.308 1.00 1.00 O +ATOM 1026 CB LEU A 68 5.967 8.868 -14.510 1.00 1.00 C +ATOM 1027 CG LEU A 68 6.028 7.609 -13.645 1.00 1.00 C +ATOM 1028 CD1 LEU A 68 4.880 7.584 -12.632 1.00 1.00 C +ATOM 1029 CD2 LEU A 68 6.055 6.348 -14.509 1.00 1.00 C +ATOM 1030 H LEU A 68 8.164 9.813 -13.386 1.00 1.00 H +ATOM 1031 HA LEU A 68 7.513 8.505 -15.924 1.00 1.00 H +ATOM 1032 HB2 LEU A 68 5.630 9.698 -13.888 1.00 1.00 H +ATOM 1033 HB3 LEU A 68 5.211 8.720 -15.281 1.00 1.00 H +ATOM 1034 HG LEU A 68 6.957 7.629 -13.075 1.00 1.00 H +ATOM 1035 HD11 LEU A 68 3.955 7.886 -13.124 1.00 1.00 H +ATOM 1036 HD12 LEU A 68 4.768 6.575 -12.235 1.00 1.00 H +ATOM 1037 HD13 LEU A 68 5.101 8.272 -11.816 1.00 1.00 H +ATOM 1038 HD21 LEU A 68 5.262 6.402 -15.256 1.00 1.00 H +ATOM 1039 HD22 LEU A 68 7.020 6.271 -15.010 1.00 1.00 H +ATOM 1040 HD23 LEU A 68 5.902 5.471 -13.881 1.00 1.00 H +ATOM 1041 N TYR A 69 7.515 10.587 -17.201 1.00 1.00 N +ATOM 1042 CA TYR A 69 7.486 11.792 -18.012 1.00 1.00 C +ATOM 1043 C TYR A 69 6.819 11.525 -19.364 1.00 1.00 C +ATOM 1044 O TYR A 69 7.456 11.016 -20.285 1.00 1.00 O +ATOM 1045 CB TYR A 69 8.947 12.179 -18.245 1.00 1.00 C +ATOM 1046 CG TYR A 69 9.544 11.609 -19.534 1.00 1.00 C +ATOM 1047 CD1 TYR A 69 9.796 10.257 -19.638 1.00 1.00 C +ATOM 1048 CD2 TYR A 69 9.828 12.448 -20.592 1.00 1.00 C +ATOM 1049 CE1 TYR A 69 10.358 9.721 -20.852 1.00 1.00 C +ATOM 1050 CE2 TYR A 69 10.390 11.913 -21.805 1.00 1.00 C +ATOM 1051 CZ TYR A 69 10.628 10.576 -21.875 1.00 1.00 C +ATOM 1052 OH TYR A 69 11.158 10.069 -23.020 1.00 1.00 O +ATOM 1053 H TYR A 69 7.788 9.756 -17.686 1.00 1.00 H +ATOM 1054 HA TYR A 69 6.911 12.545 -17.475 1.00 1.00 H +ATOM 1055 HB2 TYR A 69 9.025 13.265 -18.270 1.00 1.00 H +ATOM 1056 HB3 TYR A 69 9.542 11.836 -17.399 1.00 1.00 H +ATOM 1057 HD1 TYR A 69 9.572 9.595 -18.803 1.00 1.00 H +ATOM 1058 HD2 TYR A 69 9.629 13.517 -20.510 1.00 1.00 H +ATOM 1059 HE1 TYR A 69 10.564 8.655 -20.948 1.00 1.00 H +ATOM 1060 HE2 TYR A 69 10.620 12.564 -22.648 1.00 1.00 H +ATOM 1061 HH TYR A 69 11.558 10.805 -23.566 1.00 1.00 H +ATOM 1062 N VAL A 70 5.545 11.883 -19.440 1.00 1.00 N +ATOM 1063 CA VAL A 70 4.786 11.689 -20.663 1.00 1.00 C +ATOM 1064 C VAL A 70 5.306 12.646 -21.738 1.00 1.00 C +ATOM 1065 O VAL A 70 5.013 12.474 -22.921 1.00 1.00 O +ATOM 1066 CB VAL A 70 3.292 11.860 -20.383 1.00 1.00 C +ATOM 1067 CG1 VAL A 70 2.452 11.328 -21.547 1.00 1.00 C +ATOM 1068 CG2 VAL A 70 2.899 11.182 -19.070 1.00 1.00 C +ATOM 1069 H VAL A 70 5.035 12.297 -18.686 1.00 1.00 H +ATOM 1070 HA VAL A 70 4.952 10.664 -20.995 1.00 1.00 H +ATOM 1071 HB VAL A 70 3.089 12.925 -20.285 1.00 1.00 H +ATOM 1072 HG11 VAL A 70 3.066 10.679 -22.171 1.00 1.00 H +ATOM 1073 HG12 VAL A 70 1.606 10.762 -21.156 1.00 1.00 H +ATOM 1074 HG13 VAL A 70 2.085 12.164 -22.142 1.00 1.00 H +ATOM 1075 HG21 VAL A 70 3.437 10.239 -18.972 1.00 1.00 H +ATOM 1076 HG22 VAL A 70 3.153 11.835 -18.234 1.00 1.00 H +ATOM 1077 HG23 VAL A 70 1.825 10.989 -19.066 1.00 1.00 H +ATOM 1078 N SER A 71 6.068 13.633 -21.289 1.00 1.00 N +ATOM 1079 CA SER A 71 6.631 14.617 -22.198 1.00 1.00 C +ATOM 1080 C SER A 71 8.027 15.026 -21.725 1.00 1.00 C +ATOM 1081 O SER A 71 8.246 15.235 -20.532 1.00 1.00 O +ATOM 1082 CB SER A 71 5.725 15.845 -22.308 1.00 1.00 C +ATOM 1083 OG SER A 71 5.748 16.408 -23.618 1.00 1.00 O +ATOM 1084 H SER A 71 6.300 13.765 -20.326 1.00 1.00 H +ATOM 1085 HA SER A 71 6.685 14.118 -23.166 1.00 1.00 H +ATOM 1086 HB2 SER A 71 4.703 15.567 -22.051 1.00 1.00 H +ATOM 1087 HB3 SER A 71 6.042 16.596 -21.585 1.00 1.00 H +ATOM 1088 HG SER A 71 5.418 17.353 -23.589 1.00 1.00 H +ATOM 1089 N SER A 72 8.935 15.131 -22.683 1.00 1.00 N +ATOM 1090 CA SER A 72 10.303 15.514 -22.380 1.00 1.00 C +ATOM 1091 C SER A 72 10.321 16.852 -21.640 1.00 1.00 C +ATOM 1092 O SER A 72 11.306 17.191 -20.987 1.00 1.00 O +ATOM 1093 CB SER A 72 11.146 15.599 -23.654 1.00 1.00 C +ATOM 1094 OG SER A 72 12.194 14.634 -23.668 1.00 1.00 O +ATOM 1095 H SER A 72 8.748 14.961 -23.651 1.00 1.00 H +ATOM 1096 HA SER A 72 10.689 14.718 -21.743 1.00 1.00 H +ATOM 1097 HB2 SER A 72 10.506 15.451 -24.524 1.00 1.00 H +ATOM 1098 HB3 SER A 72 11.572 16.599 -23.740 1.00 1.00 H +ATOM 1099 HG SER A 72 12.925 14.915 -23.045 1.00 1.00 H +ATOM 1100 N GLU A 73 9.220 17.579 -21.770 1.00 1.00 N +ATOM 1101 CA GLU A 73 9.098 18.873 -21.121 1.00 1.00 C +ATOM 1102 C GLU A 73 8.335 18.736 -19.801 1.00 1.00 C +ATOM 1103 O GLU A 73 8.255 19.686 -19.025 1.00 1.00 O +ATOM 1104 CB GLU A 73 8.416 19.886 -22.044 1.00 1.00 C +ATOM 1105 CG GLU A 73 7.143 20.441 -21.405 1.00 1.00 C +ATOM 1106 CD GLU A 73 6.378 21.329 -22.387 1.00 1.00 C +ATOM 1107 OE1 GLU A 73 5.718 20.751 -23.279 1.00 1.00 O +ATOM 1108 OE2 GLU A 73 6.469 22.566 -22.227 1.00 1.00 O +ATOM 1109 H GLU A 73 8.423 17.295 -22.304 1.00 1.00 H +ATOM 1110 HA GLU A 73 10.119 19.197 -20.926 1.00 1.00 H +ATOM 1111 HB2 GLU A 73 9.104 20.703 -22.262 1.00 1.00 H +ATOM 1112 HB3 GLU A 73 8.173 19.411 -22.994 1.00 1.00 H +ATOM 1113 HG2 GLU A 73 6.506 19.618 -21.079 1.00 1.00 H +ATOM 1114 HG3 GLU A 73 7.399 21.015 -20.515 1.00 1.00 H +ATOM 1115 N SER A 74 7.795 17.545 -19.588 1.00 1.00 N +ATOM 1116 CA SER A 74 7.042 17.271 -18.376 1.00 1.00 C +ATOM 1117 C SER A 74 7.448 15.911 -17.804 1.00 1.00 C +ATOM 1118 O SER A 74 7.007 14.871 -18.293 1.00 1.00 O +ATOM 1119 CB SER A 74 5.536 17.307 -18.643 1.00 1.00 C +ATOM 1120 OG SER A 74 5.235 17.826 -19.935 1.00 1.00 O +ATOM 1121 H SER A 74 7.865 16.777 -20.225 1.00 1.00 H +ATOM 1122 HA SER A 74 7.307 18.070 -17.685 1.00 1.00 H +ATOM 1123 HB2 SER A 74 5.128 16.300 -18.553 1.00 1.00 H +ATOM 1124 HB3 SER A 74 5.048 17.918 -17.884 1.00 1.00 H +ATOM 1125 HG SER A 74 4.507 18.507 -19.869 1.00 1.00 H +ATOM 1126 N ARG A 75 8.284 15.961 -16.777 1.00 1.00 N +ATOM 1127 CA ARG A 75 8.753 14.746 -16.133 1.00 1.00 C +ATOM 1128 C ARG A 75 8.442 14.784 -14.635 1.00 1.00 C +ATOM 1129 O ARG A 75 8.573 15.829 -13.997 1.00 1.00 O +ATOM 1130 CB ARG A 75 10.259 14.566 -16.331 1.00 1.00 C +ATOM 1131 CG ARG A 75 10.814 15.610 -17.302 1.00 1.00 C +ATOM 1132 CD ARG A 75 12.128 15.135 -17.924 1.00 1.00 C +ATOM 1133 NE ARG A 75 12.808 16.266 -18.595 1.00 1.00 N +ATOM 1134 CZ ARG A 75 13.928 16.146 -19.321 1.00 1.00 C +ATOM 1135 NH1 ARG A 75 14.503 14.944 -19.472 1.00 1.00 N +ATOM 1136 NH2 ARG A 75 14.474 17.226 -19.894 1.00 1.00 N +ATOM 1137 H ARG A 75 8.637 16.810 -16.385 1.00 1.00 H +ATOM 1138 HA ARG A 75 8.208 13.941 -16.626 1.00 1.00 H +ATOM 1139 HB2 ARG A 75 10.769 14.651 -15.370 1.00 1.00 H +ATOM 1140 HB3 ARG A 75 10.462 13.566 -16.711 1.00 1.00 H +ATOM 1141 HG2 ARG A 75 10.084 15.804 -18.089 1.00 1.00 H +ATOM 1142 HG3 ARG A 75 10.975 16.551 -16.777 1.00 1.00 H +ATOM 1143 HD2 ARG A 75 12.776 14.719 -17.154 1.00 1.00 H +ATOM 1144 HD3 ARG A 75 11.934 14.339 -18.642 1.00 1.00 H +ATOM 1145 HE ARG A 75 12.405 17.177 -18.504 1.00 1.00 H +ATOM 1146 HH11 ARG A 75 14.095 14.138 -19.044 1.00 1.00 H +ATOM 1147 HH12 ARG A 75 15.340 14.854 -20.013 1.00 1.00 H +ATOM 1148 HH21 ARG A 75 14.046 18.123 -19.782 1.00 1.00 H +ATOM 1149 HH22 ARG A 75 15.311 17.137 -20.435 1.00 1.00 H +ATOM 1150 N PHE A 76 8.038 13.634 -14.118 1.00 1.00 N +ATOM 1151 CA PHE A 76 7.708 13.523 -12.707 1.00 1.00 C +ATOM 1152 C PHE A 76 8.220 12.203 -12.127 1.00 1.00 C +ATOM 1153 O PHE A 76 8.593 11.297 -12.869 1.00 1.00 O +ATOM 1154 CB PHE A 76 6.182 13.555 -12.600 1.00 1.00 C +ATOM 1155 CG PHE A 76 5.501 14.402 -13.678 1.00 1.00 C +ATOM 1156 CD1 PHE A 76 5.472 15.757 -13.562 1.00 1.00 C +ATOM 1157 CD2 PHE A 76 4.923 13.799 -14.753 1.00 1.00 C +ATOM 1158 CE1 PHE A 76 4.840 16.542 -14.563 1.00 1.00 C +ATOM 1159 CE2 PHE A 76 4.292 14.583 -15.752 1.00 1.00 C +ATOM 1160 CZ PHE A 76 4.263 15.938 -15.636 1.00 1.00 C +ATOM 1161 H PHE A 76 7.934 12.790 -14.644 1.00 1.00 H +ATOM 1162 HA PHE A 76 8.192 14.356 -12.195 1.00 1.00 H +ATOM 1163 HB2 PHE A 76 5.803 12.535 -12.660 1.00 1.00 H +ATOM 1164 HB3 PHE A 76 5.904 13.943 -11.619 1.00 1.00 H +ATOM 1165 HD1 PHE A 76 5.934 16.239 -12.701 1.00 1.00 H +ATOM 1166 HD2 PHE A 76 4.947 12.713 -14.845 1.00 1.00 H +ATOM 1167 HE1 PHE A 76 4.817 17.627 -14.469 1.00 1.00 H +ATOM 1168 HE2 PHE A 76 3.830 14.100 -16.613 1.00 1.00 H +ATOM 1169 HZ PHE A 76 3.777 16.541 -16.404 1.00 1.00 H +ATOM 1170 N ASN A 77 8.222 12.137 -10.803 1.00 1.00 N +ATOM 1171 CA ASN A 77 8.683 10.944 -10.114 1.00 1.00 C +ATOM 1172 C ASN A 77 7.502 10.291 -9.393 1.00 1.00 C +ATOM 1173 O ASN A 77 7.592 9.141 -8.963 1.00 1.00 O +ATOM 1174 CB ASN A 77 9.745 11.287 -9.068 1.00 1.00 C +ATOM 1175 CG ASN A 77 11.118 11.464 -9.720 1.00 1.00 C +ATOM 1176 OD1 ASN A 77 11.646 12.559 -9.825 1.00 1.00 O +ATOM 1177 ND2 ASN A 77 11.663 10.329 -10.148 1.00 1.00 N +ATOM 1178 H ASN A 77 7.917 12.880 -10.206 1.00 1.00 H +ATOM 1179 HA ASN A 77 9.100 10.306 -10.893 1.00 1.00 H +ATOM 1180 HB2 ASN A 77 9.465 12.203 -8.547 1.00 1.00 H +ATOM 1181 HB3 ASN A 77 9.793 10.496 -8.320 1.00 1.00 H +ATOM 1182 HD21 ASN A 77 11.176 9.464 -10.031 1.00 1.00 H +ATOM 1183 HD22 ASN A 77 12.561 10.342 -10.588 1.00 1.00 H +ATOM 1184 N THR A 78 6.423 11.051 -9.281 1.00 1.00 N +ATOM 1185 CA THR A 78 5.227 10.560 -8.618 1.00 1.00 C +ATOM 1186 C THR A 78 4.000 10.766 -9.509 1.00 1.00 C +ATOM 1187 O THR A 78 3.981 11.667 -10.347 1.00 1.00 O +ATOM 1188 CB THR A 78 5.117 11.257 -7.262 1.00 1.00 C +ATOM 1189 OG1 THR A 78 4.650 10.237 -6.383 1.00 1.00 O +ATOM 1190 CG2 THR A 78 4.006 12.310 -7.233 1.00 1.00 C +ATOM 1191 H THR A 78 6.358 11.984 -9.633 1.00 1.00 H +ATOM 1192 HA THR A 78 5.335 9.485 -8.466 1.00 1.00 H +ATOM 1193 HB THR A 78 6.073 11.692 -6.969 1.00 1.00 H +ATOM 1194 HG1 THR A 78 3.980 9.663 -6.851 1.00 1.00 H +ATOM 1195 HG21 THR A 78 3.582 12.418 -8.232 1.00 1.00 H +ATOM 1196 HG22 THR A 78 3.227 11.997 -6.539 1.00 1.00 H +ATOM 1197 HG23 THR A 78 4.419 13.265 -6.909 1.00 1.00 H +ATOM 1198 N LEU A 79 3.006 9.916 -9.299 1.00 1.00 N +ATOM 1199 CA LEU A 79 1.779 9.995 -10.073 1.00 1.00 C +ATOM 1200 C LEU A 79 1.166 11.387 -9.911 1.00 1.00 C +ATOM 1201 O LEU A 79 0.531 11.902 -10.829 1.00 1.00 O +ATOM 1202 CB LEU A 79 0.830 8.856 -9.691 1.00 1.00 C +ATOM 1203 CG LEU A 79 -0.072 8.331 -10.809 1.00 1.00 C +ATOM 1204 CD1 LEU A 79 0.756 7.716 -11.939 1.00 1.00 C +ATOM 1205 CD2 LEU A 79 -1.111 7.350 -10.260 1.00 1.00 C +ATOM 1206 H LEU A 79 3.030 9.186 -8.616 1.00 1.00 H +ATOM 1207 HA LEU A 79 2.044 9.854 -11.121 1.00 1.00 H +ATOM 1208 HB2 LEU A 79 1.425 8.027 -9.312 1.00 1.00 H +ATOM 1209 HB3 LEU A 79 0.198 9.197 -8.871 1.00 1.00 H +ATOM 1210 HG LEU A 79 -0.617 9.174 -11.232 1.00 1.00 H +ATOM 1211 HD11 LEU A 79 1.761 7.500 -11.576 1.00 1.00 H +ATOM 1212 HD12 LEU A 79 0.284 6.792 -12.273 1.00 1.00 H +ATOM 1213 HD13 LEU A 79 0.812 8.417 -12.772 1.00 1.00 H +ATOM 1214 HD21 LEU A 79 -0.856 7.088 -9.234 1.00 1.00 H +ATOM 1215 HD22 LEU A 79 -2.096 7.816 -10.283 1.00 1.00 H +ATOM 1216 HD23 LEU A 79 -1.120 6.450 -10.874 1.00 1.00 H +ATOM 1217 N ALA A 80 1.377 11.958 -8.733 1.00 1.00 N +ATOM 1218 CA ALA A 80 0.854 13.280 -8.437 1.00 1.00 C +ATOM 1219 C ALA A 80 1.414 14.283 -9.447 1.00 1.00 C +ATOM 1220 O ALA A 80 0.691 14.764 -10.317 1.00 1.00 O +ATOM 1221 CB ALA A 80 1.193 13.653 -6.993 1.00 1.00 C +ATOM 1222 H ALA A 80 1.894 11.532 -7.991 1.00 1.00 H +ATOM 1223 HA ALA A 80 -0.231 13.238 -8.543 1.00 1.00 H +ATOM 1224 HB1 ALA A 80 1.402 12.747 -6.424 1.00 1.00 H +ATOM 1225 HB2 ALA A 80 2.071 14.300 -6.982 1.00 1.00 H +ATOM 1226 HB3 ALA A 80 0.350 14.178 -6.544 1.00 1.00 H +ATOM 1227 N GLU A 81 2.699 14.569 -9.296 1.00 1.00 N +ATOM 1228 CA GLU A 81 3.366 15.507 -10.184 1.00 1.00 C +ATOM 1229 C GLU A 81 2.956 15.248 -11.634 1.00 1.00 C +ATOM 1230 O GLU A 81 3.025 16.146 -12.473 1.00 1.00 O +ATOM 1231 CB GLU A 81 4.886 15.429 -10.023 1.00 1.00 C +ATOM 1232 CG GLU A 81 5.360 16.308 -8.862 1.00 1.00 C +ATOM 1233 CD GLU A 81 6.355 15.555 -7.976 1.00 1.00 C +ATOM 1234 OE1 GLU A 81 6.161 14.330 -7.818 1.00 1.00 O +ATOM 1235 OE2 GLU A 81 7.287 16.222 -7.477 1.00 1.00 O +ATOM 1236 H GLU A 81 3.281 14.174 -8.585 1.00 1.00 H +ATOM 1237 HA GLU A 81 3.025 16.494 -9.873 1.00 1.00 H +ATOM 1238 HB2 GLU A 81 5.184 14.395 -9.846 1.00 1.00 H +ATOM 1239 HB3 GLU A 81 5.371 15.747 -10.946 1.00 1.00 H +ATOM 1240 HG2 GLU A 81 5.827 17.212 -9.254 1.00 1.00 H +ATOM 1241 HG3 GLU A 81 4.504 16.622 -8.266 1.00 1.00 H +ATOM 1242 N LEU A 82 2.535 14.018 -11.886 1.00 1.00 N +ATOM 1243 CA LEU A 82 2.112 13.629 -13.222 1.00 1.00 C +ATOM 1244 C LEU A 82 0.733 14.226 -13.508 1.00 1.00 C +ATOM 1245 O LEU A 82 0.517 14.820 -14.565 1.00 1.00 O +ATOM 1246 CB LEU A 82 2.169 12.110 -13.381 1.00 1.00 C +ATOM 1247 CG LEU A 82 2.084 11.582 -14.815 1.00 1.00 C +ATOM 1248 CD1 LEU A 82 3.248 10.637 -15.121 1.00 1.00 C +ATOM 1249 CD2 LEU A 82 0.729 10.925 -15.078 1.00 1.00 C +ATOM 1250 H LEU A 82 2.481 13.293 -11.199 1.00 1.00 H +ATOM 1251 HA LEU A 82 2.827 14.055 -13.927 1.00 1.00 H +ATOM 1252 HB2 LEU A 82 3.099 11.752 -12.938 1.00 1.00 H +ATOM 1253 HB3 LEU A 82 1.354 11.673 -12.806 1.00 1.00 H +ATOM 1254 HG LEU A 82 2.170 12.429 -15.496 1.00 1.00 H +ATOM 1255 HD11 LEU A 82 4.014 10.742 -14.352 1.00 1.00 H +ATOM 1256 HD12 LEU A 82 2.887 9.609 -15.136 1.00 1.00 H +ATOM 1257 HD13 LEU A 82 3.673 10.886 -16.094 1.00 1.00 H +ATOM 1258 HD21 LEU A 82 0.278 10.629 -14.130 1.00 1.00 H +ATOM 1259 HD22 LEU A 82 0.073 11.632 -15.586 1.00 1.00 H +ATOM 1260 HD23 LEU A 82 0.867 10.044 -15.705 1.00 1.00 H +ATOM 1261 N VAL A 83 -0.164 14.050 -12.551 1.00 1.00 N +ATOM 1262 CA VAL A 83 -1.517 14.564 -12.688 1.00 1.00 C +ATOM 1263 C VAL A 83 -1.515 16.069 -12.416 1.00 1.00 C +ATOM 1264 O VAL A 83 -2.124 16.838 -13.159 1.00 1.00 O +ATOM 1265 CB VAL A 83 -2.465 13.791 -11.769 1.00 1.00 C +ATOM 1266 CG1 VAL A 83 -3.611 14.684 -11.288 1.00 1.00 C +ATOM 1267 CG2 VAL A 83 -3.000 12.537 -12.462 1.00 1.00 C +ATOM 1268 H VAL A 83 0.021 13.567 -11.695 1.00 1.00 H +ATOM 1269 HA VAL A 83 -1.831 14.394 -13.717 1.00 1.00 H +ATOM 1270 HB VAL A 83 -1.899 13.473 -10.893 1.00 1.00 H +ATOM 1271 HG11 VAL A 83 -3.625 15.604 -11.873 1.00 1.00 H +ATOM 1272 HG12 VAL A 83 -4.558 14.159 -11.416 1.00 1.00 H +ATOM 1273 HG13 VAL A 83 -3.468 14.924 -10.235 1.00 1.00 H +ATOM 1274 HG21 VAL A 83 -3.312 12.789 -13.477 1.00 1.00 H +ATOM 1275 HG22 VAL A 83 -2.218 11.780 -12.501 1.00 1.00 H +ATOM 1276 HG23 VAL A 83 -3.853 12.150 -11.905 1.00 1.00 H +ATOM 1277 N HIS A 84 -0.824 16.445 -11.349 1.00 1.00 N +ATOM 1278 CA HIS A 84 -0.735 17.846 -10.971 1.00 1.00 C +ATOM 1279 C HIS A 84 -0.435 18.694 -12.208 1.00 1.00 C +ATOM 1280 O HIS A 84 -1.168 19.632 -12.515 1.00 1.00 O +ATOM 1281 CB HIS A 84 0.290 18.042 -9.854 1.00 1.00 C +ATOM 1282 CG HIS A 84 1.571 18.701 -10.305 1.00 1.00 C +ATOM 1283 ND1 HIS A 84 2.506 18.057 -11.097 1.00 1.00 N +ATOM 1284 CD2 HIS A 84 2.063 19.951 -10.068 1.00 1.00 C +ATOM 1285 CE1 HIS A 84 3.511 18.892 -11.321 1.00 1.00 C +ATOM 1286 NE2 HIS A 84 3.235 20.065 -10.681 1.00 1.00 N +ATOM 1287 H HIS A 84 -0.332 15.814 -10.752 1.00 1.00 H +ATOM 1288 HA HIS A 84 -1.712 18.126 -10.579 1.00 1.00 H +ATOM 1289 HB2 HIS A 84 -0.158 18.647 -9.065 1.00 1.00 H +ATOM 1290 HB3 HIS A 84 0.527 17.072 -9.416 1.00 1.00 H +ATOM 1291 HD1 HIS A 84 2.436 17.122 -11.442 1.00 1.00 H +ATOM 1292 HD2 HIS A 84 1.574 20.725 -9.477 1.00 1.00 H +ATOM 1293 HE1 HIS A 84 4.404 18.678 -11.911 1.00 1.00 H +ATOM 1294 N HIS A 85 0.646 18.334 -12.885 1.00 1.00 N +ATOM 1295 CA HIS A 85 1.054 19.050 -14.082 1.00 1.00 C +ATOM 1296 C HIS A 85 -0.038 18.931 -15.147 1.00 1.00 C +ATOM 1297 O HIS A 85 -0.464 19.933 -15.719 1.00 1.00 O +ATOM 1298 CB HIS A 85 2.416 18.557 -14.571 1.00 1.00 C +ATOM 1299 CG HIS A 85 2.746 18.968 -15.988 1.00 1.00 C +ATOM 1300 ND1 HIS A 85 3.257 20.214 -16.307 1.00 1.00 N +ATOM 1301 CD2 HIS A 85 2.631 18.285 -17.162 1.00 1.00 C +ATOM 1302 CE1 HIS A 85 3.437 20.268 -17.619 1.00 1.00 C +ATOM 1303 NE2 HIS A 85 3.048 19.072 -18.147 1.00 1.00 N +ATOM 1304 H HIS A 85 1.237 17.569 -12.628 1.00 1.00 H +ATOM 1305 HA HIS A 85 1.160 20.097 -13.798 1.00 1.00 H +ATOM 1306 HB2 HIS A 85 3.190 18.938 -13.906 1.00 1.00 H +ATOM 1307 HB3 HIS A 85 2.445 17.470 -14.504 1.00 1.00 H +ATOM 1308 HD1 HIS A 85 3.455 20.949 -15.658 1.00 1.00 H +ATOM 1309 HD2 HIS A 85 2.260 17.267 -17.274 1.00 1.00 H +ATOM 1310 HE1 HIS A 85 3.828 21.118 -18.178 1.00 1.00 H +ATOM 1311 N HIS A 86 -0.460 17.697 -15.382 1.00 1.00 N +ATOM 1312 CA HIS A 86 -1.492 17.433 -16.369 1.00 1.00 C +ATOM 1313 C HIS A 86 -2.839 17.947 -15.852 1.00 1.00 C +ATOM 1314 O HIS A 86 -3.874 17.723 -16.477 1.00 1.00 O +ATOM 1315 CB HIS A 86 -1.527 15.949 -16.738 1.00 1.00 C +ATOM 1316 CG HIS A 86 -0.269 15.456 -17.414 1.00 1.00 C +ATOM 1317 ND1 HIS A 86 0.503 16.257 -18.236 1.00 1.00 N +ATOM 1318 CD2 HIS A 86 0.342 14.237 -17.379 1.00 1.00 C +ATOM 1319 CE1 HIS A 86 1.529 15.541 -18.672 1.00 1.00 C +ATOM 1320 NE2 HIS A 86 1.427 14.289 -18.140 1.00 1.00 N +ATOM 1321 H HIS A 86 -0.107 16.887 -14.912 1.00 1.00 H +ATOM 1322 HA HIS A 86 -1.220 17.993 -17.264 1.00 1.00 H +ATOM 1323 HB2 HIS A 86 -1.694 15.364 -15.834 1.00 1.00 H +ATOM 1324 HB3 HIS A 86 -2.376 15.768 -17.396 1.00 1.00 H +ATOM 1325 HD1 HIS A 86 0.319 17.213 -18.463 1.00 1.00 H +ATOM 1326 HD2 HIS A 86 -0.005 13.366 -16.820 1.00 1.00 H +ATOM 1327 HE1 HIS A 86 2.318 15.891 -19.339 1.00 1.00 H +ATOM 1328 N SER A 87 -2.780 18.624 -14.715 1.00 1.00 N +ATOM 1329 CA SER A 87 -3.981 19.171 -14.106 1.00 1.00 C +ATOM 1330 C SER A 87 -4.345 20.500 -14.771 1.00 1.00 C +ATOM 1331 O SER A 87 -5.523 20.839 -14.885 1.00 1.00 O +ATOM 1332 CB SER A 87 -3.797 19.364 -12.600 1.00 1.00 C +ATOM 1333 OG SER A 87 -3.336 20.674 -12.282 1.00 1.00 O +ATOM 1334 H SER A 87 -1.934 18.801 -14.213 1.00 1.00 H +ATOM 1335 HA SER A 87 -4.758 18.428 -14.285 1.00 1.00 H +ATOM 1336 HB2 SER A 87 -4.744 19.179 -12.092 1.00 1.00 H +ATOM 1337 HB3 SER A 87 -3.085 18.627 -12.224 1.00 1.00 H +ATOM 1338 HG SER A 87 -4.023 21.352 -12.544 1.00 1.00 H +ATOM 1339 N THR A 88 -3.314 21.217 -15.192 1.00 1.00 N +ATOM 1340 CA THR A 88 -3.511 22.501 -15.842 1.00 1.00 C +ATOM 1341 C THR A 88 -2.885 22.494 -17.238 1.00 1.00 C +ATOM 1342 O THR A 88 -3.321 23.229 -18.123 1.00 1.00 O +ATOM 1343 CB THR A 88 -2.942 23.586 -14.926 1.00 1.00 C +ATOM 1344 OG1 THR A 88 -1.685 23.064 -14.506 1.00 1.00 O +ATOM 1345 CG2 THR A 88 -3.738 23.733 -13.628 1.00 1.00 C +ATOM 1346 H THR A 88 -2.360 20.935 -15.096 1.00 1.00 H +ATOM 1347 HA THR A 88 -4.580 22.659 -15.973 1.00 1.00 H +ATOM 1348 HB THR A 88 -2.871 24.540 -15.450 1.00 1.00 H +ATOM 1349 HG1 THR A 88 -1.015 23.802 -14.429 1.00 1.00 H +ATOM 1350 HG21 THR A 88 -4.535 22.989 -13.603 1.00 1.00 H +ATOM 1351 HG22 THR A 88 -3.075 23.583 -12.776 1.00 1.00 H +ATOM 1352 HG23 THR A 88 -4.173 24.731 -13.578 1.00 1.00 H +ATOM 1353 N VAL A 89 -1.869 21.657 -17.392 1.00 1.00 N +ATOM 1354 CA VAL A 89 -1.178 21.546 -18.665 1.00 1.00 C +ATOM 1355 C VAL A 89 -0.941 20.067 -18.983 1.00 1.00 C +ATOM 1356 O VAL A 89 0.129 19.532 -18.702 1.00 1.00 O +ATOM 1357 CB VAL A 89 0.114 22.364 -18.632 1.00 1.00 C +ATOM 1358 CG1 VAL A 89 0.922 22.165 -19.918 1.00 1.00 C +ATOM 1359 CG2 VAL A 89 -0.182 23.845 -18.394 1.00 1.00 C +ATOM 1360 H VAL A 89 -1.519 21.063 -16.668 1.00 1.00 H +ATOM 1361 HA VAL A 89 -1.826 21.970 -19.430 1.00 1.00 H +ATOM 1362 HB VAL A 89 0.718 22.004 -17.799 1.00 1.00 H +ATOM 1363 HG11 VAL A 89 0.747 21.162 -20.304 1.00 1.00 H +ATOM 1364 HG12 VAL A 89 0.609 22.901 -20.660 1.00 1.00 H +ATOM 1365 HG13 VAL A 89 1.983 22.293 -19.703 1.00 1.00 H +ATOM 1366 HG21 VAL A 89 -0.868 23.949 -17.553 1.00 1.00 H +ATOM 1367 HG22 VAL A 89 0.748 24.371 -18.171 1.00 1.00 H +ATOM 1368 HG23 VAL A 89 -0.636 24.274 -19.288 1.00 1.00 H +ATOM 1369 N ALA A 90 -1.958 19.451 -19.566 1.00 1.00 N +ATOM 1370 CA ALA A 90 -1.875 18.045 -19.926 1.00 1.00 C +ATOM 1371 C ALA A 90 -0.946 17.887 -21.131 1.00 1.00 C +ATOM 1372 O ALA A 90 -1.387 17.504 -22.214 1.00 1.00 O +ATOM 1373 CB ALA A 90 -3.279 17.503 -20.197 1.00 1.00 C +ATOM 1374 H ALA A 90 -2.826 19.893 -19.792 1.00 1.00 H +ATOM 1375 HA ALA A 90 -1.449 17.510 -19.078 1.00 1.00 H +ATOM 1376 HB1 ALA A 90 -3.891 18.287 -20.643 1.00 1.00 H +ATOM 1377 HB2 ALA A 90 -3.216 16.658 -20.883 1.00 1.00 H +ATOM 1378 HB3 ALA A 90 -3.730 17.178 -19.261 1.00 1.00 H +ATOM 1379 N ASP A 91 0.324 18.189 -20.904 1.00 1.00 N +ATOM 1380 CA ASP A 91 1.319 18.083 -21.958 1.00 1.00 C +ATOM 1381 C ASP A 91 1.736 16.620 -22.115 1.00 1.00 C +ATOM 1382 O ASP A 91 2.742 16.324 -22.758 1.00 1.00 O +ATOM 1383 CB ASP A 91 2.569 18.897 -21.617 1.00 1.00 C +ATOM 1384 CG ASP A 91 2.719 20.208 -22.393 1.00 1.00 C +ATOM 1385 OD1 ASP A 91 2.056 20.323 -23.445 1.00 1.00 O +ATOM 1386 OD2 ASP A 91 3.493 21.065 -21.916 1.00 1.00 O +ATOM 1387 H ASP A 91 0.675 18.499 -20.021 1.00 1.00 H +ATOM 1388 HA ASP A 91 0.834 18.477 -22.850 1.00 1.00 H +ATOM 1389 HB2 ASP A 91 2.558 19.123 -20.552 1.00 1.00 H +ATOM 1390 HB3 ASP A 91 3.448 18.280 -21.804 1.00 1.00 H +ATOM 1391 N GLY A 92 0.943 15.744 -21.517 1.00 1.00 N +ATOM 1392 CA GLY A 92 1.217 14.318 -21.584 1.00 1.00 C +ATOM 1393 C GLY A 92 -0.060 13.528 -21.873 1.00 1.00 C +ATOM 1394 O GLY A 92 -0.209 12.956 -22.952 1.00 1.00 O +ATOM 1395 H GLY A 92 0.126 15.994 -20.996 1.00 1.00 H +ATOM 1396 HA2 GLY A 92 1.954 14.122 -22.362 1.00 1.00 H +ATOM 1397 HA3 GLY A 92 1.651 13.984 -20.641 1.00 1.00 H +ATOM 1398 N LEU A 93 -0.948 13.518 -20.891 1.00 1.00 N +ATOM 1399 CA LEU A 93 -2.208 12.807 -21.026 1.00 1.00 C +ATOM 1400 C LEU A 93 -3.014 13.418 -22.174 1.00 1.00 C +ATOM 1401 O LEU A 93 -2.843 14.592 -22.501 1.00 1.00 O +ATOM 1402 CB LEU A 93 -2.958 12.786 -19.693 1.00 1.00 C +ATOM 1403 CG LEU A 93 -2.089 12.847 -18.435 1.00 1.00 C +ATOM 1404 CD1 LEU A 93 -2.903 12.488 -17.189 1.00 1.00 C +ATOM 1405 CD2 LEU A 93 -0.847 11.967 -18.581 1.00 1.00 C +ATOM 1406 H LEU A 93 -0.819 13.985 -20.016 1.00 1.00 H +ATOM 1407 HA LEU A 93 -1.973 11.774 -21.281 1.00 1.00 H +ATOM 1408 HB2 LEU A 93 -3.650 13.626 -19.674 1.00 1.00 H +ATOM 1409 HB3 LEU A 93 -3.558 11.876 -19.652 1.00 1.00 H +ATOM 1410 HG LEU A 93 -1.743 13.874 -18.309 1.00 1.00 H +ATOM 1411 HD11 LEU A 93 -3.879 12.114 -17.489 1.00 1.00 H +ATOM 1412 HD12 LEU A 93 -2.376 11.720 -16.620 1.00 1.00 H +ATOM 1413 HD13 LEU A 93 -3.027 13.376 -16.569 1.00 1.00 H +ATOM 1414 HD21 LEU A 93 -1.084 11.104 -19.205 1.00 1.00 H +ATOM 1415 HD22 LEU A 93 -0.046 12.542 -19.047 1.00 1.00 H +ATOM 1416 HD23 LEU A 93 -0.524 11.625 -17.597 1.00 1.00 H +ATOM 1417 N ILE A 94 -3.874 12.596 -22.755 1.00 1.00 N +ATOM 1418 CA ILE A 94 -4.706 13.041 -23.860 1.00 1.00 C +ATOM 1419 C ILE A 94 -5.293 14.415 -23.529 1.00 1.00 C +ATOM 1420 O ILE A 94 -4.725 15.442 -23.895 1.00 1.00 O +ATOM 1421 CB ILE A 94 -5.762 11.986 -24.194 1.00 1.00 C +ATOM 1422 CG1 ILE A 94 -6.842 12.562 -25.114 1.00 1.00 C +ATOM 1423 CG2 ILE A 94 -6.356 11.381 -22.921 1.00 1.00 C +ATOM 1424 CD1 ILE A 94 -7.923 11.520 -25.410 1.00 1.00 C +ATOM 1425 H ILE A 94 -4.007 11.643 -22.484 1.00 1.00 H +ATOM 1426 HA ILE A 94 -4.064 13.142 -24.734 1.00 1.00 H +ATOM 1427 HB ILE A 94 -5.275 11.175 -24.738 1.00 1.00 H +ATOM 1428 HG12 ILE A 94 -7.292 13.436 -24.646 1.00 1.00 H +ATOM 1429 HG13 ILE A 94 -6.389 12.897 -26.047 1.00 1.00 H +ATOM 1430 HG21 ILE A 94 -5.917 11.864 -22.050 1.00 1.00 H +ATOM 1431 HG22 ILE A 94 -7.436 11.535 -22.916 1.00 1.00 H +ATOM 1432 HG23 ILE A 94 -6.141 10.313 -22.892 1.00 1.00 H +ATOM 1433 HD11 ILE A 94 -7.908 10.752 -24.636 1.00 1.00 H +ATOM 1434 HD12 ILE A 94 -8.900 12.004 -25.421 1.00 1.00 H +ATOM 1435 HD13 ILE A 94 -7.731 11.064 -26.381 1.00 1.00 H +ATOM 1436 N THR A 95 -6.425 14.389 -22.839 1.00 1.00 N +ATOM 1437 CA THR A 95 -7.095 15.619 -22.455 1.00 1.00 C +ATOM 1438 C THR A 95 -6.466 16.195 -21.185 1.00 1.00 C +ATOM 1439 O THR A 95 -5.290 15.960 -20.908 1.00 1.00 O +ATOM 1440 CB THR A 95 -8.588 15.318 -22.309 1.00 1.00 C +ATOM 1441 OG1 THR A 95 -9.193 16.603 -22.198 1.00 1.00 O +ATOM 1442 CG2 THR A 95 -8.922 14.634 -20.982 1.00 1.00 C +ATOM 1443 H THR A 95 -6.882 13.549 -22.545 1.00 1.00 H +ATOM 1444 HA THR A 95 -6.947 16.353 -23.246 1.00 1.00 H +ATOM 1445 HB THR A 95 -8.951 14.730 -23.153 1.00 1.00 H +ATOM 1446 HG1 THR A 95 -9.933 16.577 -21.528 1.00 1.00 H +ATOM 1447 HG21 THR A 95 -8.160 13.888 -20.756 1.00 1.00 H +ATOM 1448 HG22 THR A 95 -8.949 15.378 -20.186 1.00 1.00 H +ATOM 1449 HG23 THR A 95 -9.896 14.148 -21.058 1.00 1.00 H +ATOM 1450 N THR A 96 -7.276 16.938 -20.445 1.00 1.00 N +ATOM 1451 CA THR A 96 -6.813 17.550 -19.211 1.00 1.00 C +ATOM 1452 C THR A 96 -7.647 17.059 -18.026 1.00 1.00 C +ATOM 1453 O THR A 96 -8.873 16.996 -18.111 1.00 1.00 O +ATOM 1454 CB THR A 96 -6.850 19.069 -19.393 1.00 1.00 C +ATOM 1455 OG1 THR A 96 -8.227 19.403 -19.242 1.00 1.00 O +ATOM 1456 CG2 THR A 96 -6.518 19.494 -20.824 1.00 1.00 C +ATOM 1457 H THR A 96 -8.231 17.125 -20.677 1.00 1.00 H +ATOM 1458 HA THR A 96 -5.787 17.230 -19.033 1.00 1.00 H +ATOM 1459 HB THR A 96 -6.192 19.563 -18.678 1.00 1.00 H +ATOM 1460 HG1 THR A 96 -8.326 20.390 -19.112 1.00 1.00 H +ATOM 1461 HG21 THR A 96 -6.038 18.668 -21.349 1.00 1.00 H +ATOM 1462 HG22 THR A 96 -7.436 19.769 -21.344 1.00 1.00 H +ATOM 1463 HG23 THR A 96 -5.844 20.350 -20.803 1.00 1.00 H +ATOM 1464 N LEU A 97 -6.951 16.725 -16.951 1.00 1.00 N +ATOM 1465 CA LEU A 97 -7.613 16.241 -15.750 1.00 1.00 C +ATOM 1466 C LEU A 97 -8.756 17.191 -15.388 1.00 1.00 C +ATOM 1467 O LEU A 97 -8.954 18.211 -16.046 1.00 1.00 O +ATOM 1468 CB LEU A 97 -6.599 16.041 -14.623 1.00 1.00 C +ATOM 1469 CG LEU A 97 -5.420 15.118 -14.938 1.00 1.00 C +ATOM 1470 CD1 LEU A 97 -4.160 15.565 -14.195 1.00 1.00 C +ATOM 1471 CD2 LEU A 97 -5.772 13.658 -14.645 1.00 1.00 C +ATOM 1472 H LEU A 97 -5.954 16.779 -16.891 1.00 1.00 H +ATOM 1473 HA LEU A 97 -8.036 15.265 -15.982 1.00 1.00 H +ATOM 1474 HB2 LEU A 97 -6.204 17.016 -14.337 1.00 1.00 H +ATOM 1475 HB3 LEU A 97 -7.124 15.642 -13.756 1.00 1.00 H +ATOM 1476 HG LEU A 97 -5.206 15.189 -16.005 1.00 1.00 H +ATOM 1477 HD11 LEU A 97 -4.404 16.396 -13.533 1.00 1.00 H +ATOM 1478 HD12 LEU A 97 -3.771 14.734 -13.605 1.00 1.00 H +ATOM 1479 HD13 LEU A 97 -3.406 15.882 -14.916 1.00 1.00 H +ATOM 1480 HD21 LEU A 97 -6.826 13.488 -14.862 1.00 1.00 H +ATOM 1481 HD22 LEU A 97 -5.162 13.005 -15.268 1.00 1.00 H +ATOM 1482 HD23 LEU A 97 -5.577 13.443 -13.594 1.00 1.00 H +ATOM 1483 N HIS A 98 -9.478 16.823 -14.340 1.00 1.00 N +ATOM 1484 CA HIS A 98 -10.596 17.629 -13.880 1.00 1.00 C +ATOM 1485 C HIS A 98 -10.636 17.628 -12.350 1.00 1.00 C +ATOM 1486 O HIS A 98 -10.304 18.628 -11.716 1.00 1.00 O +ATOM 1487 CB HIS A 98 -11.907 17.150 -14.509 1.00 1.00 C +ATOM 1488 CG HIS A 98 -12.983 18.207 -14.566 1.00 1.00 C +ATOM 1489 ND1 HIS A 98 -12.702 19.560 -14.648 1.00 1.00 N +ATOM 1490 CD2 HIS A 98 -14.342 18.096 -14.555 1.00 1.00 C +ATOM 1491 CE1 HIS A 98 -13.847 20.224 -14.684 1.00 1.00 C +ATOM 1492 NE2 HIS A 98 -14.863 19.315 -14.625 1.00 1.00 N +ATOM 1493 H HIS A 98 -9.311 15.992 -13.808 1.00 1.00 H +ATOM 1494 HA HIS A 98 -10.413 18.646 -14.228 1.00 1.00 H +ATOM 1495 HB2 HIS A 98 -11.705 16.795 -15.519 1.00 1.00 H +ATOM 1496 HB3 HIS A 98 -12.280 16.298 -13.940 1.00 1.00 H +ATOM 1497 HD1 HIS A 98 -11.789 19.967 -14.678 1.00 1.00 H +ATOM 1498 HD2 HIS A 98 -14.905 17.165 -14.498 1.00 1.00 H +ATOM 1499 HE1 HIS A 98 -13.958 21.307 -14.748 1.00 1.00 H +ATOM 1500 N TYR A 99 -11.046 16.493 -11.802 1.00 1.00 N +ATOM 1501 CA TYR A 99 -11.135 16.348 -10.359 1.00 1.00 C +ATOM 1502 C TYR A 99 -10.121 15.321 -9.849 1.00 1.00 C +ATOM 1503 O TYR A 99 -10.501 14.238 -9.403 1.00 1.00 O +ATOM 1504 CB TYR A 99 -12.548 15.839 -10.072 1.00 1.00 C +ATOM 1505 CG TYR A 99 -13.646 16.597 -10.821 1.00 1.00 C +ATOM 1506 CD1 TYR A 99 -13.675 17.975 -10.795 1.00 1.00 C +ATOM 1507 CD2 TYR A 99 -14.608 15.899 -11.525 1.00 1.00 C +ATOM 1508 CE1 TYR A 99 -14.709 18.688 -11.500 1.00 1.00 C +ATOM 1509 CE2 TYR A 99 -15.641 16.611 -12.231 1.00 1.00 C +ATOM 1510 CZ TYR A 99 -15.640 17.970 -12.183 1.00 1.00 C +ATOM 1511 OH TYR A 99 -16.618 18.644 -12.850 1.00 1.00 O +ATOM 1512 H TYR A 99 -11.315 15.685 -12.326 1.00 1.00 H +ATOM 1513 HA TYR A 99 -10.917 17.317 -9.910 1.00 1.00 H +ATOM 1514 HB2 TYR A 99 -12.603 14.783 -10.336 1.00 1.00 H +ATOM 1515 HB3 TYR A 99 -12.739 15.911 -9.001 1.00 1.00 H +ATOM 1516 HD1 TYR A 99 -12.917 18.526 -10.239 1.00 1.00 H +ATOM 1517 HD2 TYR A 99 -14.585 14.809 -11.547 1.00 1.00 H +ATOM 1518 HE1 TYR A 99 -14.745 19.777 -11.487 1.00 1.00 H +ATOM 1519 HE2 TYR A 99 -16.406 16.073 -12.790 1.00 1.00 H +ATOM 1520 HH TYR A 99 -17.422 18.748 -12.265 1.00 1.00 H +ATOM 1521 N PRO A 100 -8.820 15.706 -9.933 1.00 1.00 N +ATOM 1522 CA PRO A 100 -7.750 14.831 -9.485 1.00 1.00 C +ATOM 1523 C PRO A 100 -7.677 14.793 -7.958 1.00 1.00 C +ATOM 1524 O PRO A 100 -6.701 14.301 -7.392 1.00 1.00 O +ATOM 1525 CB PRO A 100 -6.491 15.389 -10.127 1.00 1.00 C +ATOM 1526 CG PRO A 100 -6.825 16.816 -10.529 1.00 1.00 C +ATOM 1527 CD PRO A 100 -8.335 16.980 -10.455 1.00 1.00 C +ATOM 1528 HA PRO A 100 -7.927 13.890 -9.774 1.00 1.00 H +ATOM 1529 HB2 PRO A 100 -5.654 15.366 -9.430 1.00 1.00 H +ATOM 1530 HB3 PRO A 100 -6.199 14.798 -10.995 1.00 1.00 H +ATOM 1531 HG2 PRO A 100 -6.330 17.526 -9.865 1.00 1.00 H +ATOM 1532 HG3 PRO A 100 -6.468 17.023 -11.538 1.00 1.00 H +ATOM 1533 HD2 PRO A 100 -8.612 17.807 -9.802 1.00 1.00 H +ATOM 1534 HD3 PRO A 100 -8.758 17.193 -11.436 1.00 1.00 H +ATOM 1535 N ALA A 101 -8.720 15.319 -7.333 1.00 1.00 N +ATOM 1536 CA ALA A 101 -8.786 15.352 -5.881 1.00 1.00 C +ATOM 1537 C ALA A 101 -8.875 13.921 -5.347 1.00 1.00 C +ATOM 1538 O ALA A 101 -9.171 12.991 -6.097 1.00 1.00 O +ATOM 1539 CB ALA A 101 -9.971 16.213 -5.443 1.00 1.00 C +ATOM 1540 H ALA A 101 -9.509 15.717 -7.800 1.00 1.00 H +ATOM 1541 HA ALA A 101 -7.865 15.809 -5.518 1.00 1.00 H +ATOM 1542 HB1 ALA A 101 -10.062 17.072 -6.109 1.00 1.00 H +ATOM 1543 HB2 ALA A 101 -10.886 15.621 -5.488 1.00 1.00 H +ATOM 1544 HB3 ALA A 101 -9.811 16.559 -4.422 1.00 1.00 H +ATOM 1545 N PRO A 102 -8.605 13.784 -4.021 1.00 1.00 N +ATOM 1546 CA PRO A 102 -8.652 12.483 -3.379 1.00 1.00 C +ATOM 1547 C PRO A 102 -10.098 12.027 -3.167 1.00 1.00 C +ATOM 1548 O PRO A 102 -10.965 12.834 -2.838 1.00 1.00 O +ATOM 1549 CB PRO A 102 -7.889 12.660 -2.076 1.00 1.00 C +ATOM 1550 CG PRO A 102 -7.844 14.158 -1.819 1.00 1.00 C +ATOM 1551 CD PRO A 102 -8.251 14.863 -3.103 1.00 1.00 C +ATOM 1552 HA PRO A 102 -8.231 11.790 -3.964 1.00 1.00 H +ATOM 1553 HB2 PRO A 102 -8.386 12.137 -1.257 1.00 1.00 H +ATOM 1554 HB3 PRO A 102 -6.884 12.246 -2.153 1.00 1.00 H +ATOM 1555 HG2 PRO A 102 -8.519 14.426 -1.006 1.00 1.00 H +ATOM 1556 HG3 PRO A 102 -6.843 14.463 -1.517 1.00 1.00 H +ATOM 1557 HD2 PRO A 102 -9.093 15.534 -2.937 1.00 1.00 H +ATOM 1558 HD3 PRO A 102 -7.434 15.468 -3.497 1.00 1.00 H +ATOM 1559 N LYS A 103 -10.312 10.735 -3.365 1.00 1.00 N +ATOM 1560 CA LYS A 103 -11.637 10.163 -3.200 1.00 1.00 C +ATOM 1561 C LYS A 103 -11.987 10.116 -1.711 1.00 1.00 C +ATOM 1562 O LYS A 103 -11.140 10.389 -0.862 1.00 1.00 O +ATOM 1563 CB LYS A 103 -11.723 8.800 -3.894 1.00 1.00 C +ATOM 1564 CG LYS A 103 -11.213 7.686 -2.980 1.00 1.00 C +ATOM 1565 CD LYS A 103 -10.258 6.755 -3.729 1.00 1.00 C +ATOM 1566 CE LYS A 103 -8.943 7.467 -4.057 1.00 1.00 C +ATOM 1567 NZ LYS A 103 -7.797 6.547 -3.878 1.00 1.00 N +ATOM 1568 H LYS A 103 -9.601 10.085 -3.631 1.00 1.00 H +ATOM 1569 HA LYS A 103 -12.344 10.824 -3.701 1.00 1.00 H +ATOM 1570 HB2 LYS A 103 -12.755 8.599 -4.181 1.00 1.00 H +ATOM 1571 HB3 LYS A 103 -11.136 8.820 -4.813 1.00 1.00 H +ATOM 1572 HG2 LYS A 103 -10.702 8.120 -2.120 1.00 1.00 H +ATOM 1573 HG3 LYS A 103 -12.056 7.113 -2.593 1.00 1.00 H +ATOM 1574 HD2 LYS A 103 -10.056 5.871 -3.125 1.00 1.00 H +ATOM 1575 HD3 LYS A 103 -10.727 6.410 -4.650 1.00 1.00 H +ATOM 1576 HE2 LYS A 103 -8.966 7.832 -5.084 1.00 1.00 H +ATOM 1577 HE3 LYS A 103 -8.823 8.337 -3.412 1.00 1.00 H +ATOM 1578 HZ1 LYS A 103 -8.026 5.860 -3.188 1.00 1.00 H +ATOM 1579 HZ2 LYS A 103 -7.596 6.093 -4.746 1.00 1.00 H +ATOM 1580 HZ3 LYS A 103 -6.997 7.067 -3.579 1.00 1.00 H +ATOM 1581 N ARG A 104 -13.235 9.767 -1.440 1.00 1.00 N +ATOM 1582 CA ARG A 104 -13.708 9.682 -0.069 1.00 1.00 C +ATOM 1583 C ARG A 104 -13.150 8.428 0.608 1.00 1.00 C +ATOM 1584 O ARG A 104 -13.612 7.319 0.349 1.00 1.00 O +ATOM 1585 CB ARG A 104 -15.236 9.643 -0.014 1.00 1.00 C +ATOM 1586 CG ARG A 104 -15.814 8.988 -1.269 1.00 1.00 C +ATOM 1587 CD ARG A 104 -17.236 8.480 -1.018 1.00 1.00 C +ATOM 1588 NE ARG A 104 -17.643 7.559 -2.102 1.00 1.00 N +ATOM 1589 CZ ARG A 104 -18.205 7.954 -3.252 1.00 1.00 C +ATOM 1590 NH1 ARG A 104 -18.431 9.256 -3.476 1.00 1.00 N +ATOM 1591 NH2 ARG A 104 -18.542 7.047 -4.179 1.00 1.00 N +ATOM 1592 H ARG A 104 -13.918 9.546 -2.136 1.00 1.00 H +ATOM 1593 HA ARG A 104 -13.335 10.586 0.412 1.00 1.00 H +ATOM 1594 HB2 ARG A 104 -15.558 9.092 0.870 1.00 1.00 H +ATOM 1595 HB3 ARG A 104 -15.626 10.656 0.084 1.00 1.00 H +ATOM 1596 HG2 ARG A 104 -15.819 9.704 -2.089 1.00 1.00 H +ATOM 1597 HG3 ARG A 104 -15.177 8.158 -1.576 1.00 1.00 H +ATOM 1598 HD2 ARG A 104 -17.284 7.968 -0.056 1.00 1.00 H +ATOM 1599 HD3 ARG A 104 -17.926 9.322 -0.965 1.00 1.00 H +ATOM 1600 HE ARG A 104 -17.489 6.579 -1.968 1.00 1.00 H +ATOM 1601 HH11 ARG A 104 -18.178 9.932 -2.783 1.00 1.00 H +ATOM 1602 HH12 ARG A 104 -18.850 9.550 -4.334 1.00 1.00 H +ATOM 1603 HH21 ARG A 104 -18.375 6.075 -4.012 1.00 1.00 H +ATOM 1604 HH22 ARG A 104 -18.962 7.341 -5.039 1.00 1.00 H +ATOM 1605 N GLY A 105 -12.158 8.647 1.462 1.00 1.00 N +ATOM 1606 CA GLY A 105 -11.531 7.550 2.177 1.00 1.00 C +ATOM 1607 C GLY A 105 -12.583 6.626 2.797 1.00 1.00 C +ATOM 1608 O GLY A 105 -13.131 5.760 2.118 1.00 1.00 O +ATOM 1609 H GLY A 105 -11.787 9.553 1.666 1.00 1.00 H +ATOM 1610 HA2 GLY A 105 -10.900 6.980 1.496 1.00 1.00 H +ATOM 1611 HA3 GLY A 105 -10.882 7.944 2.959 1.00 1.00 H +ATOM 1612 N ILE A 106 -12.833 6.846 4.080 1.00 1.00 N +ATOM 1613 CA ILE A 106 -13.809 6.045 4.800 1.00 1.00 C +ATOM 1614 C ILE A 106 -14.787 6.971 5.526 1.00 1.00 C +ATOM 1615 O ILE A 106 -14.416 7.639 6.489 1.00 1.00 O +ATOM 1616 CB ILE A 106 -13.107 5.047 5.722 1.00 1.00 C +ATOM 1617 CG1 ILE A 106 -14.089 3.992 6.237 1.00 1.00 C +ATOM 1618 CG2 ILE A 106 -12.389 5.767 6.865 1.00 1.00 C +ATOM 1619 CD1 ILE A 106 -15.262 4.647 6.970 1.00 1.00 C +ATOM 1620 H ILE A 106 -12.383 7.553 4.625 1.00 1.00 H +ATOM 1621 HA ILE A 106 -14.364 5.466 4.061 1.00 1.00 H +ATOM 1622 HB ILE A 106 -12.348 4.523 5.144 1.00 1.00 H +ATOM 1623 HG12 ILE A 106 -14.463 3.399 5.404 1.00 1.00 H +ATOM 1624 HG13 ILE A 106 -13.573 3.308 6.910 1.00 1.00 H +ATOM 1625 HG21 ILE A 106 -12.364 6.838 6.660 1.00 1.00 H +ATOM 1626 HG22 ILE A 106 -12.920 5.588 7.799 1.00 1.00 H +ATOM 1627 HG23 ILE A 106 -11.369 5.389 6.948 1.00 1.00 H +ATOM 1628 HD11 ILE A 106 -14.900 5.495 7.552 1.00 1.00 H +ATOM 1629 HD12 ILE A 106 -15.997 4.993 6.244 1.00 1.00 H +ATOM 1630 HD13 ILE A 106 -15.725 3.920 7.638 1.00 1.00 H +ATOM 1631 N HIS A 107 -16.017 6.981 5.035 1.00 1.00 N +ATOM 1632 CA HIS A 107 -17.051 7.815 5.625 1.00 1.00 C +ATOM 1633 C HIS A 107 -17.419 7.273 7.008 1.00 1.00 C +ATOM 1634 O HIS A 107 -18.400 6.543 7.153 1.00 1.00 O +ATOM 1635 CB HIS A 107 -18.259 7.925 4.691 1.00 1.00 C +ATOM 1636 CG HIS A 107 -19.109 6.678 4.636 1.00 1.00 C +ATOM 1637 ND1 HIS A 107 -20.319 6.566 5.298 1.00 1.00 N +ATOM 1638 CD2 HIS A 107 -18.913 5.494 3.990 1.00 1.00 C +ATOM 1639 CE1 HIS A 107 -20.818 5.364 5.057 1.00 1.00 C +ATOM 1640 NE2 HIS A 107 -19.945 4.700 4.247 1.00 1.00 N +ATOM 1641 H HIS A 107 -16.311 6.435 4.251 1.00 1.00 H +ATOM 1642 HA HIS A 107 -16.624 8.812 5.736 1.00 1.00 H +ATOM 1643 HB2 HIS A 107 -18.880 8.762 5.013 1.00 1.00 H +ATOM 1644 HB3 HIS A 107 -17.907 8.157 3.686 1.00 1.00 H +ATOM 1645 HD1 HIS A 107 -20.743 7.272 5.865 1.00 1.00 H +ATOM 1646 HD2 HIS A 107 -18.053 5.241 3.369 1.00 1.00 H +ATOM 1647 HE1 HIS A 107 -21.761 4.972 5.440 1.00 1.00 H +ATOM 1648 N ARG A 108 -16.614 7.652 7.989 1.00 1.00 N +ATOM 1649 CA ARG A 108 -16.842 7.214 9.356 1.00 1.00 C +ATOM 1650 C ARG A 108 -17.859 8.130 10.043 1.00 1.00 C +ATOM 1651 O ARG A 108 -18.885 7.664 10.535 1.00 1.00 O +ATOM 1652 CB ARG A 108 -15.541 7.214 10.160 1.00 1.00 C +ATOM 1653 CG ARG A 108 -15.066 5.786 10.434 1.00 1.00 C +ATOM 1654 CD ARG A 108 -14.701 5.604 11.909 1.00 1.00 C +ATOM 1655 NE ARG A 108 -13.390 6.232 12.187 1.00 1.00 N +ATOM 1656 CZ ARG A 108 -12.226 5.795 11.688 1.00 1.00 C +ATOM 1657 NH1 ARG A 108 -12.202 4.724 10.883 1.00 1.00 N +ATOM 1658 NH2 ARG A 108 -11.085 6.428 11.994 1.00 1.00 N +ATOM 1659 H ARG A 108 -15.820 8.246 7.863 1.00 1.00 H +ATOM 1660 HA ARG A 108 -17.229 6.199 9.262 1.00 1.00 H +ATOM 1661 HB2 ARG A 108 -14.771 7.757 9.611 1.00 1.00 H +ATOM 1662 HB3 ARG A 108 -15.690 7.739 11.103 1.00 1.00 H +ATOM 1663 HG2 ARG A 108 -15.850 5.079 10.160 1.00 1.00 H +ATOM 1664 HG3 ARG A 108 -14.201 5.559 9.812 1.00 1.00 H +ATOM 1665 HD2 ARG A 108 -15.468 6.050 12.541 1.00 1.00 H +ATOM 1666 HD3 ARG A 108 -14.663 4.543 12.155 1.00 1.00 H +ATOM 1667 HE ARG A 108 -13.373 7.034 12.784 1.00 1.00 H +ATOM 1668 HH11 ARG A 108 -13.053 4.250 10.655 1.00 1.00 H +ATOM 1669 HH12 ARG A 108 -11.333 4.397 10.511 1.00 1.00 H +ATOM 1670 HH21 ARG A 108 -11.103 7.228 12.594 1.00 1.00 H +ATOM 1671 HH22 ARG A 108 -10.217 6.101 11.621 1.00 1.00 H +ATOM 1672 N ASP A 109 -17.535 9.414 10.057 1.00 1.00 N +ATOM 1673 CA ASP A 109 -18.406 10.399 10.675 1.00 1.00 C +ATOM 1674 C ASP A 109 -17.760 11.782 10.573 1.00 1.00 C +ATOM 1675 O ASP A 109 -16.521 11.819 10.405 1.00 1.00 O +ATOM 1676 CB ASP A 109 -18.623 10.087 12.158 1.00 1.00 C +ATOM 1677 CG ASP A 109 -17.468 10.489 13.079 1.00 1.00 C +ATOM 1678 OD1 ASP A 109 -16.476 9.664 13.102 1.00 1.00 O +ATOM 1679 OD2 ASP A 109 -17.515 11.538 13.740 1.00 1.00 O +ATOM 1680 OXT ASP A 109 -18.447 12.799 10.653 1.00 1.00 O +ATOM 1681 H ASP A 109 -16.698 9.784 9.655 1.00 1.00 H +ATOM 1682 HA ASP A 109 -19.346 10.335 10.128 1.00 1.00 H +ATOM 1683 HB2 ASP A 109 -19.527 10.594 12.492 1.00 1.00 H +ATOM 1684 HB3 ASP A 109 -18.798 9.017 12.268 1.00 1.00 H +TER 1685 ASP A 109 +ENDMDL +MODEL 12 +ATOM 1 N GLY A 1 -12.234 -2.436 0.678 1.00 1.00 N +ATOM 2 CA GLY A 1 -11.466 -3.569 1.163 1.00 1.00 C +ATOM 3 C GLY A 1 -9.967 -3.261 1.151 1.00 1.00 C +ATOM 4 O GLY A 1 -9.313 -3.303 2.192 1.00 1.00 O +ATOM 5 H1 GLY A 1 -11.666 -1.890 0.041 1.00 1.00 H +ATOM 6 H2 GLY A 1 -13.060 -2.768 0.194 1.00 1.00 H +ATOM 7 H3 GLY A 1 -12.512 -1.856 1.462 1.00 1.00 H +ATOM 8 HA2 GLY A 1 -11.781 -3.821 2.175 1.00 1.00 H +ATOM 9 HA3 GLY A 1 -11.666 -4.441 0.539 1.00 1.00 H +ATOM 10 N SER A 2 -9.466 -2.960 -0.038 1.00 1.00 N +ATOM 11 CA SER A 2 -8.058 -2.645 -0.200 1.00 1.00 C +ATOM 12 C SER A 2 -7.886 -1.160 -0.521 1.00 1.00 C +ATOM 13 O SER A 2 -7.232 -0.431 0.221 1.00 1.00 O +ATOM 14 CB SER A 2 -7.423 -3.503 -1.296 1.00 1.00 C +ATOM 15 OG SER A 2 -6.632 -4.559 -0.759 1.00 1.00 O +ATOM 16 H SER A 2 -10.005 -2.929 -0.881 1.00 1.00 H +ATOM 17 HA SER A 2 -7.596 -2.884 0.759 1.00 1.00 H +ATOM 18 HB2 SER A 2 -8.207 -3.922 -1.928 1.00 1.00 H +ATOM 19 HB3 SER A 2 -6.802 -2.875 -1.935 1.00 1.00 H +ATOM 20 HG SER A 2 -7.164 -5.406 -0.734 1.00 1.00 H +ATOM 21 N GLY A 3 -8.487 -0.755 -1.631 1.00 1.00 N +ATOM 22 CA GLY A 3 -8.409 0.631 -2.061 1.00 1.00 C +ATOM 23 C GLY A 3 -8.727 1.582 -0.906 1.00 1.00 C +ATOM 24 O GLY A 3 -9.893 1.812 -0.588 1.00 1.00 O +ATOM 25 H GLY A 3 -9.017 -1.353 -2.230 1.00 1.00 H +ATOM 26 HA2 GLY A 3 -7.411 0.842 -2.445 1.00 1.00 H +ATOM 27 HA3 GLY A 3 -9.108 0.801 -2.880 1.00 1.00 H +ATOM 28 N ASN A 4 -7.668 2.110 -0.308 1.00 1.00 N +ATOM 29 CA ASN A 4 -7.820 3.031 0.805 1.00 1.00 C +ATOM 30 C ASN A 4 -6.438 3.393 1.355 1.00 1.00 C +ATOM 31 O ASN A 4 -6.152 4.563 1.602 1.00 1.00 O +ATOM 32 CB ASN A 4 -8.628 2.397 1.940 1.00 1.00 C +ATOM 33 CG ASN A 4 -8.794 3.372 3.108 1.00 1.00 C +ATOM 34 OD1 ASN A 4 -9.406 4.419 2.992 1.00 1.00 O +ATOM 35 ND2 ASN A 4 -8.214 2.969 4.235 1.00 1.00 N +ATOM 36 H ASN A 4 -6.723 1.918 -0.572 1.00 1.00 H +ATOM 37 HA ASN A 4 -8.344 3.894 0.394 1.00 1.00 H +ATOM 38 HB2 ASN A 4 -9.608 2.097 1.569 1.00 1.00 H +ATOM 39 HB3 ASN A 4 -8.128 1.492 2.284 1.00 1.00 H +ATOM 40 HD21 ASN A 4 -7.725 2.096 4.262 1.00 1.00 H +ATOM 41 HD22 ASN A 4 -8.266 3.538 5.055 1.00 1.00 H +ATOM 42 N SER A 5 -5.619 2.367 1.529 1.00 1.00 N +ATOM 43 CA SER A 5 -4.274 2.561 2.043 1.00 1.00 C +ATOM 44 C SER A 5 -3.529 3.585 1.186 1.00 1.00 C +ATOM 45 O SER A 5 -3.025 4.582 1.701 1.00 1.00 O +ATOM 46 CB SER A 5 -3.503 1.240 2.084 1.00 1.00 C +ATOM 47 OG SER A 5 -3.490 0.590 0.816 1.00 1.00 O +ATOM 48 H SER A 5 -5.860 1.417 1.325 1.00 1.00 H +ATOM 49 HA SER A 5 -4.405 2.935 3.059 1.00 1.00 H +ATOM 50 HB2 SER A 5 -2.478 1.428 2.406 1.00 1.00 H +ATOM 51 HB3 SER A 5 -3.953 0.580 2.825 1.00 1.00 H +ATOM 52 HG SER A 5 -2.571 0.247 0.617 1.00 1.00 H +ATOM 53 N LEU A 6 -3.482 3.304 -0.108 1.00 1.00 N +ATOM 54 CA LEU A 6 -2.806 4.188 -1.042 1.00 1.00 C +ATOM 55 C LEU A 6 -3.736 5.350 -1.400 1.00 1.00 C +ATOM 56 O LEU A 6 -3.975 5.617 -2.578 1.00 1.00 O +ATOM 57 CB LEU A 6 -2.306 3.403 -2.257 1.00 1.00 C +ATOM 58 CG LEU A 6 -1.381 2.223 -1.958 1.00 1.00 C +ATOM 59 CD1 LEU A 6 -1.177 1.356 -3.201 1.00 1.00 C +ATOM 60 CD2 LEU A 6 -0.051 2.704 -1.371 1.00 1.00 C +ATOM 61 H LEU A 6 -3.894 2.491 -0.518 1.00 1.00 H +ATOM 62 HA LEU A 6 -1.930 4.590 -0.535 1.00 1.00 H +ATOM 63 HB2 LEU A 6 -3.171 3.031 -2.805 1.00 1.00 H +ATOM 64 HB3 LEU A 6 -1.781 4.092 -2.919 1.00 1.00 H +ATOM 65 HG LEU A 6 -1.858 1.596 -1.204 1.00 1.00 H +ATOM 66 HD11 LEU A 6 -1.222 1.982 -4.091 1.00 1.00 H +ATOM 67 HD12 LEU A 6 -0.203 0.867 -3.150 1.00 1.00 H +ATOM 68 HD13 LEU A 6 -1.961 0.600 -3.250 1.00 1.00 H +ATOM 69 HD21 LEU A 6 -0.186 3.690 -0.927 1.00 1.00 H +ATOM 70 HD22 LEU A 6 0.282 2.003 -0.605 1.00 1.00 H +ATOM 71 HD23 LEU A 6 0.696 2.760 -2.162 1.00 1.00 H +ATOM 72 N GLU A 7 -4.233 6.009 -0.365 1.00 1.00 N +ATOM 73 CA GLU A 7 -5.130 7.135 -0.556 1.00 1.00 C +ATOM 74 C GLU A 7 -4.342 8.376 -0.984 1.00 1.00 C +ATOM 75 O GLU A 7 -4.337 9.386 -0.282 1.00 1.00 O +ATOM 76 CB GLU A 7 -5.941 7.413 0.711 1.00 1.00 C +ATOM 77 CG GLU A 7 -7.440 7.251 0.449 1.00 1.00 C +ATOM 78 CD GLU A 7 -8.148 8.607 0.462 1.00 1.00 C +ATOM 79 OE1 GLU A 7 -8.081 9.247 1.580 1.00 1.00 O +ATOM 80 OE2 GLU A 7 -8.730 9.011 -0.555 1.00 1.00 O +ATOM 81 H GLU A 7 -4.032 5.786 0.588 1.00 1.00 H +ATOM 82 HA GLU A 7 -5.808 6.834 -1.354 1.00 1.00 H +ATOM 83 HB2 GLU A 7 -5.630 6.730 1.502 1.00 1.00 H +ATOM 84 HB3 GLU A 7 -5.737 8.423 1.065 1.00 1.00 H +ATOM 85 HG2 GLU A 7 -7.593 6.764 -0.514 1.00 1.00 H +ATOM 86 HG3 GLU A 7 -7.877 6.601 1.208 1.00 1.00 H +ATOM 87 N LYS A 8 -3.693 8.258 -2.134 1.00 1.00 N +ATOM 88 CA LYS A 8 -2.903 9.356 -2.663 1.00 1.00 C +ATOM 89 C LYS A 8 -3.805 10.575 -2.869 1.00 1.00 C +ATOM 90 O LYS A 8 -4.315 11.143 -1.905 1.00 1.00 O +ATOM 91 CB LYS A 8 -2.158 8.921 -3.926 1.00 1.00 C +ATOM 92 CG LYS A 8 -0.778 9.576 -4.004 1.00 1.00 C +ATOM 93 CD LYS A 8 -0.845 10.909 -4.754 1.00 1.00 C +ATOM 94 CE LYS A 8 0.185 11.898 -4.208 1.00 1.00 C +ATOM 95 NZ LYS A 8 1.555 11.357 -4.362 1.00 1.00 N +ATOM 96 H LYS A 8 -3.701 7.432 -2.699 1.00 1.00 H +ATOM 97 HA LYS A 8 -2.149 9.606 -1.915 1.00 1.00 H +ATOM 98 HB2 LYS A 8 -2.052 7.836 -3.935 1.00 1.00 H +ATOM 99 HB3 LYS A 8 -2.743 9.189 -4.807 1.00 1.00 H +ATOM 100 HG2 LYS A 8 -0.392 9.739 -2.998 1.00 1.00 H +ATOM 101 HG3 LYS A 8 -0.082 8.906 -4.507 1.00 1.00 H +ATOM 102 HD2 LYS A 8 -0.667 10.741 -5.817 1.00 1.00 H +ATOM 103 HD3 LYS A 8 -1.845 11.332 -4.662 1.00 1.00 H +ATOM 104 HE2 LYS A 8 0.102 12.848 -4.734 1.00 1.00 H +ATOM 105 HE3 LYS A 8 -0.015 12.096 -3.154 1.00 1.00 H +ATOM 106 HZ1 LYS A 8 1.621 10.705 -5.136 1.00 1.00 H +ATOM 107 HZ2 LYS A 8 2.199 12.116 -4.535 1.00 1.00 H +ATOM 108 HZ3 LYS A 8 1.824 10.873 -3.517 1.00 1.00 H +ATOM 109 N HIS A 9 -3.973 10.939 -4.132 1.00 1.00 N +ATOM 110 CA HIS A 9 -4.805 12.080 -4.476 1.00 1.00 C +ATOM 111 C HIS A 9 -6.281 11.695 -4.352 1.00 1.00 C +ATOM 112 O HIS A 9 -6.604 10.575 -3.958 1.00 1.00 O +ATOM 113 CB HIS A 9 -4.446 12.614 -5.864 1.00 1.00 C +ATOM 114 CG HIS A 9 -3.299 13.595 -5.866 1.00 1.00 C +ATOM 115 ND1 HIS A 9 -2.361 13.656 -4.850 1.00 1.00 N +ATOM 116 CD2 HIS A 9 -2.947 14.552 -6.773 1.00 1.00 C +ATOM 117 CE1 HIS A 9 -1.491 14.610 -5.140 1.00 1.00 C +ATOM 118 NE2 HIS A 9 -1.854 15.166 -6.331 1.00 1.00 N +ATOM 119 H HIS A 9 -3.555 10.472 -4.909 1.00 1.00 H +ATOM 120 HA HIS A 9 -4.580 12.862 -3.750 1.00 1.00 H +ATOM 121 HB2 HIS A 9 -4.194 11.774 -6.511 1.00 1.00 H +ATOM 122 HB3 HIS A 9 -5.324 13.096 -6.294 1.00 1.00 H +ATOM 123 HD1 HIS A 9 -2.346 13.078 -4.034 1.00 1.00 H +ATOM 124 HD2 HIS A 9 -3.473 14.776 -7.701 1.00 1.00 H +ATOM 125 HE1 HIS A 9 -0.632 14.902 -4.534 1.00 1.00 H +ATOM 126 N SER A 10 -7.137 12.646 -4.695 1.00 1.00 N +ATOM 127 CA SER A 10 -8.572 12.420 -4.627 1.00 1.00 C +ATOM 128 C SER A 10 -9.048 11.699 -5.888 1.00 1.00 C +ATOM 129 O SER A 10 -10.206 11.829 -6.284 1.00 1.00 O +ATOM 130 CB SER A 10 -9.328 13.739 -4.451 1.00 1.00 C +ATOM 131 OG SER A 10 -8.994 14.387 -3.228 1.00 1.00 O +ATOM 132 H SER A 10 -6.868 13.554 -5.015 1.00 1.00 H +ATOM 133 HA SER A 10 -8.724 11.795 -3.749 1.00 1.00 H +ATOM 134 HB2 SER A 10 -9.101 14.401 -5.287 1.00 1.00 H +ATOM 135 HB3 SER A 10 -10.401 13.547 -4.480 1.00 1.00 H +ATOM 136 HG SER A 10 -8.652 15.309 -3.411 1.00 1.00 H +ATOM 137 N TRP A 11 -8.132 10.952 -6.488 1.00 1.00 N +ATOM 138 CA TRP A 11 -8.444 10.210 -7.697 1.00 1.00 C +ATOM 139 C TRP A 11 -7.662 8.895 -7.659 1.00 1.00 C +ATOM 140 O TRP A 11 -7.574 8.192 -8.666 1.00 1.00 O +ATOM 141 CB TRP A 11 -8.150 11.046 -8.944 1.00 1.00 C +ATOM 142 CG TRP A 11 -6.873 11.882 -8.847 1.00 1.00 C +ATOM 143 CD1 TRP A 11 -6.762 13.216 -8.818 1.00 1.00 C +ATOM 144 CD2 TRP A 11 -5.522 11.382 -8.765 1.00 1.00 C +ATOM 145 NE1 TRP A 11 -5.442 13.613 -8.724 1.00 1.00 N +ATOM 146 CE2 TRP A 11 -4.664 12.461 -8.690 1.00 1.00 C +ATOM 147 CE3 TRP A 11 -5.040 10.061 -8.753 1.00 1.00 C +ATOM 148 CZ2 TRP A 11 -3.273 12.331 -8.600 1.00 1.00 C +ATOM 149 CZ3 TRP A 11 -3.647 9.948 -8.662 1.00 1.00 C +ATOM 150 CH2 TRP A 11 -2.771 11.025 -8.587 1.00 1.00 C +ATOM 151 H TRP A 11 -7.193 10.852 -6.160 1.00 1.00 H +ATOM 152 HA TRP A 11 -9.515 10.007 -7.696 1.00 1.00 H +ATOM 153 HB2 TRP A 11 -8.070 10.379 -9.804 1.00 1.00 H +ATOM 154 HB3 TRP A 11 -8.994 11.709 -9.132 1.00 1.00 H +ATOM 155 HD1 TRP A 11 -7.606 13.904 -8.863 1.00 1.00 H +ATOM 156 HE1 TRP A 11 -5.078 14.639 -8.683 1.00 1.00 H +ATOM 157 HE3 TRP A 11 -5.695 9.193 -8.811 1.00 1.00 H +ATOM 158 HZ2 TRP A 11 -2.618 13.200 -8.543 1.00 1.00 H +ATOM 159 HZ3 TRP A 11 -3.219 8.945 -8.650 1.00 1.00 H +ATOM 160 HH2 TRP A 11 -1.696 10.853 -8.518 1.00 1.00 H +ATOM 161 N TYR A 12 -7.115 8.602 -6.489 1.00 1.00 N +ATOM 162 CA TYR A 12 -6.343 7.384 -6.308 1.00 1.00 C +ATOM 163 C TYR A 12 -6.948 6.511 -5.207 1.00 1.00 C +ATOM 164 O TYR A 12 -6.753 6.776 -4.022 1.00 1.00 O +ATOM 165 CB TYR A 12 -4.945 7.831 -5.877 1.00 1.00 C +ATOM 166 CG TYR A 12 -3.817 6.946 -6.411 1.00 1.00 C +ATOM 167 CD1 TYR A 12 -3.620 6.822 -7.771 1.00 1.00 C +ATOM 168 CD2 TYR A 12 -2.997 6.269 -5.530 1.00 1.00 C +ATOM 169 CE1 TYR A 12 -2.558 5.988 -8.271 1.00 1.00 C +ATOM 170 CE2 TYR A 12 -1.934 5.434 -6.031 1.00 1.00 C +ATOM 171 CZ TYR A 12 -1.769 5.336 -7.378 1.00 1.00 C +ATOM 172 OH TYR A 12 -0.766 4.549 -7.852 1.00 1.00 O +ATOM 173 H TYR A 12 -7.191 9.180 -5.677 1.00 1.00 H +ATOM 174 HA TYR A 12 -6.359 6.833 -7.248 1.00 1.00 H +ATOM 175 HB2 TYR A 12 -4.780 8.854 -6.217 1.00 1.00 H +ATOM 176 HB3 TYR A 12 -4.898 7.845 -4.789 1.00 1.00 H +ATOM 177 HD1 TYR A 12 -4.268 7.357 -8.466 1.00 1.00 H +ATOM 178 HD2 TYR A 12 -3.152 6.366 -4.456 1.00 1.00 H +ATOM 179 HE1 TYR A 12 -2.392 5.884 -9.345 1.00 1.00 H +ATOM 180 HE2 TYR A 12 -1.280 4.896 -5.349 1.00 1.00 H +ATOM 181 HH TYR A 12 -0.925 3.597 -7.589 1.00 1.00 H +ATOM 182 N HIS A 13 -7.670 5.488 -5.637 1.00 1.00 N +ATOM 183 CA HIS A 13 -8.304 4.573 -4.703 1.00 1.00 C +ATOM 184 C HIS A 13 -7.731 3.167 -4.890 1.00 1.00 C +ATOM 185 O HIS A 13 -8.266 2.198 -4.353 1.00 1.00 O +ATOM 186 CB HIS A 13 -9.827 4.616 -4.850 1.00 1.00 C +ATOM 187 CG HIS A 13 -10.308 4.551 -6.279 1.00 1.00 C +ATOM 188 ND1 HIS A 13 -11.196 3.589 -6.729 1.00 1.00 N +ATOM 189 CD2 HIS A 13 -10.016 5.337 -7.356 1.00 1.00 C +ATOM 190 CE1 HIS A 13 -11.422 3.797 -8.017 1.00 1.00 C +ATOM 191 NE2 HIS A 13 -10.690 4.880 -8.404 1.00 1.00 N +ATOM 192 H HIS A 13 -7.824 5.278 -6.603 1.00 1.00 H +ATOM 193 HA HIS A 13 -8.058 4.928 -3.702 1.00 1.00 H +ATOM 194 HB2 HIS A 13 -10.259 3.785 -4.293 1.00 1.00 H +ATOM 195 HB3 HIS A 13 -10.199 5.534 -4.393 1.00 1.00 H +ATOM 196 HD1 HIS A 13 -11.600 2.861 -6.174 1.00 1.00 H +ATOM 197 HD2 HIS A 13 -9.344 6.196 -7.354 1.00 1.00 H +ATOM 198 HE1 HIS A 13 -12.076 3.205 -8.656 1.00 1.00 H +ATOM 199 N GLY A 14 -6.649 3.101 -5.652 1.00 1.00 N +ATOM 200 CA GLY A 14 -5.997 1.830 -5.917 1.00 1.00 C +ATOM 201 C GLY A 14 -5.944 1.543 -7.419 1.00 1.00 C +ATOM 202 O GLY A 14 -6.412 2.345 -8.224 1.00 1.00 O +ATOM 203 H GLY A 14 -6.220 3.895 -6.085 1.00 1.00 H +ATOM 204 HA2 GLY A 14 -4.986 1.846 -5.510 1.00 1.00 H +ATOM 205 HA3 GLY A 14 -6.533 1.029 -5.407 1.00 1.00 H +ATOM 206 N PRO A 15 -5.356 0.364 -7.759 1.00 1.00 N +ATOM 207 CA PRO A 15 -5.238 -0.039 -9.148 1.00 1.00 C +ATOM 208 C PRO A 15 -6.583 -0.513 -9.699 1.00 1.00 C +ATOM 209 O PRO A 15 -7.236 -1.369 -9.104 1.00 1.00 O +ATOM 210 CB PRO A 15 -4.177 -1.129 -9.152 1.00 1.00 C +ATOM 211 CG PRO A 15 -4.079 -1.619 -7.717 1.00 1.00 C +ATOM 212 CD PRO A 15 -4.792 -0.612 -6.829 1.00 1.00 C +ATOM 213 HA PRO A 15 -4.969 0.739 -9.714 1.00 1.00 H +ATOM 214 HB2 PRO A 15 -4.456 -1.942 -9.823 1.00 1.00 H +ATOM 215 HB3 PRO A 15 -3.220 -0.742 -9.499 1.00 1.00 H +ATOM 216 HG2 PRO A 15 -4.533 -2.605 -7.617 1.00 1.00 H +ATOM 217 HG3 PRO A 15 -3.035 -1.718 -7.418 1.00 1.00 H +ATOM 218 HD2 PRO A 15 -5.572 -1.088 -6.235 1.00 1.00 H +ATOM 219 HD3 PRO A 15 -4.101 -0.140 -6.131 1.00 1.00 H +ATOM 220 N VAL A 16 -6.960 0.066 -10.831 1.00 1.00 N +ATOM 221 CA VAL A 16 -8.217 -0.287 -11.469 1.00 1.00 C +ATOM 222 C VAL A 16 -7.940 -0.803 -12.882 1.00 1.00 C +ATOM 223 O VAL A 16 -7.423 -0.071 -13.724 1.00 1.00 O +ATOM 224 CB VAL A 16 -9.169 0.911 -11.445 1.00 1.00 C +ATOM 225 CG1 VAL A 16 -8.807 1.919 -12.539 1.00 1.00 C +ATOM 226 CG2 VAL A 16 -10.624 0.458 -11.578 1.00 1.00 C +ATOM 227 H VAL A 16 -6.423 0.760 -11.308 1.00 1.00 H +ATOM 228 HA VAL A 16 -8.669 -1.088 -10.885 1.00 1.00 H +ATOM 229 HB VAL A 16 -9.059 1.408 -10.482 1.00 1.00 H +ATOM 230 HG11 VAL A 16 -7.737 1.874 -12.735 1.00 1.00 H +ATOM 231 HG12 VAL A 16 -9.354 1.679 -13.450 1.00 1.00 H +ATOM 232 HG13 VAL A 16 -9.073 2.924 -12.208 1.00 1.00 H +ATOM 233 HG21 VAL A 16 -10.704 -0.593 -11.302 1.00 1.00 H +ATOM 234 HG22 VAL A 16 -11.253 1.055 -10.918 1.00 1.00 H +ATOM 235 HG23 VAL A 16 -10.952 0.588 -12.609 1.00 1.00 H +ATOM 236 N SER A 17 -8.295 -2.062 -13.099 1.00 1.00 N +ATOM 237 CA SER A 17 -8.091 -2.684 -14.395 1.00 1.00 C +ATOM 238 C SER A 17 -8.824 -1.889 -15.478 1.00 1.00 C +ATOM 239 O SER A 17 -9.963 -1.471 -15.283 1.00 1.00 O +ATOM 240 CB SER A 17 -8.568 -4.137 -14.389 1.00 1.00 C +ATOM 241 OG SER A 17 -7.784 -4.954 -13.523 1.00 1.00 O +ATOM 242 H SER A 17 -8.715 -2.650 -12.408 1.00 1.00 H +ATOM 243 HA SER A 17 -7.014 -2.657 -14.562 1.00 1.00 H +ATOM 244 HB2 SER A 17 -9.612 -4.175 -14.076 1.00 1.00 H +ATOM 245 HB3 SER A 17 -8.526 -4.538 -15.402 1.00 1.00 H +ATOM 246 HG SER A 17 -8.200 -5.859 -13.436 1.00 1.00 H +ATOM 247 N ARG A 18 -8.138 -1.705 -16.597 1.00 1.00 N +ATOM 248 CA ARG A 18 -8.708 -0.969 -17.712 1.00 1.00 C +ATOM 249 C ARG A 18 -10.112 -1.488 -18.028 1.00 1.00 C +ATOM 250 O ARG A 18 -10.979 -0.725 -18.452 1.00 1.00 O +ATOM 251 CB ARG A 18 -7.832 -1.092 -18.960 1.00 1.00 C +ATOM 252 CG ARG A 18 -8.335 -2.213 -19.873 1.00 1.00 C +ATOM 253 CD ARG A 18 -7.286 -2.571 -20.928 1.00 1.00 C +ATOM 254 NE ARG A 18 -7.527 -3.940 -21.437 1.00 1.00 N +ATOM 255 CZ ARG A 18 -6.569 -4.740 -21.925 1.00 1.00 C +ATOM 256 NH1 ARG A 18 -5.300 -4.313 -21.973 1.00 1.00 N +ATOM 257 NH2 ARG A 18 -6.881 -5.967 -22.365 1.00 1.00 N +ATOM 258 H ARG A 18 -7.210 -2.050 -16.748 1.00 1.00 H +ATOM 259 HA ARG A 18 -8.740 0.068 -17.374 1.00 1.00 H +ATOM 260 HB2 ARG A 18 -7.833 -0.148 -19.505 1.00 1.00 H +ATOM 261 HB3 ARG A 18 -6.801 -1.290 -18.667 1.00 1.00 H +ATOM 262 HG2 ARG A 18 -8.571 -3.094 -19.275 1.00 1.00 H +ATOM 263 HG3 ARG A 18 -9.257 -1.903 -20.362 1.00 1.00 H +ATOM 264 HD2 ARG A 18 -7.327 -1.857 -21.751 1.00 1.00 H +ATOM 265 HD3 ARG A 18 -6.287 -2.506 -20.498 1.00 1.00 H +ATOM 266 HE ARG A 18 -8.464 -4.290 -21.416 1.00 1.00 H +ATOM 267 HH11 ARG A 18 -5.067 -3.398 -21.645 1.00 1.00 H +ATOM 268 HH12 ARG A 18 -4.586 -4.910 -22.338 1.00 1.00 H +ATOM 269 HH21 ARG A 18 -7.827 -6.286 -22.328 1.00 1.00 H +ATOM 270 HH22 ARG A 18 -6.166 -6.564 -22.729 1.00 1.00 H +ATOM 271 N ASN A 19 -10.292 -2.782 -17.811 1.00 1.00 N +ATOM 272 CA ASN A 19 -11.576 -3.412 -18.068 1.00 1.00 C +ATOM 273 C ASN A 19 -12.615 -2.861 -17.090 1.00 1.00 C +ATOM 274 O ASN A 19 -13.621 -2.288 -17.505 1.00 1.00 O +ATOM 275 CB ASN A 19 -11.496 -4.927 -17.867 1.00 1.00 C +ATOM 276 CG ASN A 19 -10.961 -5.618 -19.123 1.00 1.00 C +ATOM 277 OD1 ASN A 19 -9.835 -5.411 -19.544 1.00 1.00 O +ATOM 278 ND2 ASN A 19 -11.827 -6.449 -19.693 1.00 1.00 N +ATOM 279 H ASN A 19 -9.582 -3.395 -17.466 1.00 1.00 H +ATOM 280 HA ASN A 19 -11.810 -3.172 -19.104 1.00 1.00 H +ATOM 281 HB2 ASN A 19 -10.849 -5.151 -17.020 1.00 1.00 H +ATOM 282 HB3 ASN A 19 -12.485 -5.318 -17.626 1.00 1.00 H +ATOM 283 HD21 ASN A 19 -12.737 -6.575 -19.295 1.00 1.00 H +ATOM 284 HD22 ASN A 19 -11.570 -6.950 -20.520 1.00 1.00 H +ATOM 285 N ALA A 20 -12.336 -3.051 -15.809 1.00 1.00 N +ATOM 286 CA ALA A 20 -13.234 -2.580 -14.768 1.00 1.00 C +ATOM 287 C ALA A 20 -13.288 -1.051 -14.801 1.00 1.00 C +ATOM 288 O ALA A 20 -14.249 -0.449 -14.324 1.00 1.00 O +ATOM 289 CB ALA A 20 -12.770 -3.116 -13.413 1.00 1.00 C +ATOM 290 H ALA A 20 -11.514 -3.518 -15.479 1.00 1.00 H +ATOM 291 HA ALA A 20 -14.226 -2.976 -14.982 1.00 1.00 H +ATOM 292 HB1 ALA A 20 -11.701 -3.318 -13.447 1.00 1.00 H +ATOM 293 HB2 ALA A 20 -12.976 -2.376 -12.638 1.00 1.00 H +ATOM 294 HB3 ALA A 20 -13.307 -4.037 -13.184 1.00 1.00 H +ATOM 295 N ALA A 21 -12.245 -0.466 -15.371 1.00 1.00 N +ATOM 296 CA ALA A 21 -12.161 0.980 -15.473 1.00 1.00 C +ATOM 297 C ALA A 21 -13.346 1.499 -16.292 1.00 1.00 C +ATOM 298 O ALA A 21 -14.248 2.137 -15.750 1.00 1.00 O +ATOM 299 CB ALA A 21 -10.815 1.373 -16.085 1.00 1.00 C +ATOM 300 H ALA A 21 -11.467 -0.962 -15.758 1.00 1.00 H +ATOM 301 HA ALA A 21 -12.220 1.390 -14.465 1.00 1.00 H +ATOM 302 HB1 ALA A 21 -10.142 0.516 -16.064 1.00 1.00 H +ATOM 303 HB2 ALA A 21 -10.963 1.694 -17.116 1.00 1.00 H +ATOM 304 HB3 ALA A 21 -10.379 2.190 -15.510 1.00 1.00 H +ATOM 305 N GLU A 22 -13.306 1.205 -17.583 1.00 1.00 N +ATOM 306 CA GLU A 22 -14.366 1.634 -18.481 1.00 1.00 C +ATOM 307 C GLU A 22 -15.722 1.137 -17.977 1.00 1.00 C +ATOM 308 O GLU A 22 -16.752 1.748 -18.255 1.00 1.00 O +ATOM 309 CB GLU A 22 -14.101 1.152 -19.909 1.00 1.00 C +ATOM 310 CG GLU A 22 -12.917 0.184 -19.951 1.00 1.00 C +ATOM 311 CD GLU A 22 -12.794 -0.472 -21.328 1.00 1.00 C +ATOM 312 OE1 GLU A 22 -13.140 0.211 -22.315 1.00 1.00 O +ATOM 313 OE2 GLU A 22 -12.356 -1.642 -21.362 1.00 1.00 O +ATOM 314 H GLU A 22 -12.568 0.685 -18.016 1.00 1.00 H +ATOM 315 HA GLU A 22 -14.339 2.724 -18.462 1.00 1.00 H +ATOM 316 HB2 GLU A 22 -14.992 0.661 -20.302 1.00 1.00 H +ATOM 317 HB3 GLU A 22 -13.899 2.007 -20.553 1.00 1.00 H +ATOM 318 HG2 GLU A 22 -11.997 0.718 -19.715 1.00 1.00 H +ATOM 319 HG3 GLU A 22 -13.044 -0.585 -19.188 1.00 1.00 H +ATOM 320 N TYR A 23 -15.676 0.035 -17.244 1.00 1.00 N +ATOM 321 CA TYR A 23 -16.890 -0.551 -16.697 1.00 1.00 C +ATOM 322 C TYR A 23 -17.389 0.247 -15.491 1.00 1.00 C +ATOM 323 O TYR A 23 -18.414 0.922 -15.570 1.00 1.00 O +ATOM 324 CB TYR A 23 -16.508 -1.960 -16.240 1.00 1.00 C +ATOM 325 CG TYR A 23 -17.679 -2.767 -15.673 1.00 1.00 C +ATOM 326 CD1 TYR A 23 -18.671 -3.228 -16.514 1.00 1.00 C +ATOM 327 CD2 TYR A 23 -17.741 -3.034 -14.321 1.00 1.00 C +ATOM 328 CE1 TYR A 23 -19.771 -3.988 -15.982 1.00 1.00 C +ATOM 329 CE2 TYR A 23 -18.841 -3.794 -13.787 1.00 1.00 C +ATOM 330 CZ TYR A 23 -19.803 -4.234 -14.643 1.00 1.00 C +ATOM 331 OH TYR A 23 -20.842 -4.952 -14.141 1.00 1.00 O +ATOM 332 H TYR A 23 -14.834 -0.455 -17.020 1.00 1.00 H +ATOM 333 HA TYR A 23 -17.652 -0.532 -17.476 1.00 1.00 H +ATOM 334 HB2 TYR A 23 -16.081 -2.501 -17.084 1.00 1.00 H +ATOM 335 HB3 TYR A 23 -15.731 -1.886 -15.481 1.00 1.00 H +ATOM 336 HD1 TYR A 23 -18.621 -3.018 -17.583 1.00 1.00 H +ATOM 337 HD2 TYR A 23 -16.958 -2.670 -13.656 1.00 1.00 H +ATOM 338 HE1 TYR A 23 -20.561 -4.358 -16.635 1.00 1.00 H +ATOM 339 HE2 TYR A 23 -18.904 -4.012 -12.721 1.00 1.00 H +ATOM 340 HH TYR A 23 -21.212 -5.557 -14.845 1.00 1.00 H +ATOM 341 N LEU A 24 -16.640 0.144 -14.402 1.00 1.00 N +ATOM 342 CA LEU A 24 -16.995 0.847 -13.181 1.00 1.00 C +ATOM 343 C LEU A 24 -17.189 2.332 -13.492 1.00 1.00 C +ATOM 344 O LEU A 24 -17.837 3.049 -12.731 1.00 1.00 O +ATOM 345 CB LEU A 24 -15.956 0.578 -12.089 1.00 1.00 C +ATOM 346 CG LEU A 24 -16.495 0.493 -10.660 1.00 1.00 C +ATOM 347 CD1 LEU A 24 -15.421 -0.021 -9.698 1.00 1.00 C +ATOM 348 CD2 LEU A 24 -17.070 1.837 -10.209 1.00 1.00 C +ATOM 349 H LEU A 24 -15.808 -0.407 -14.347 1.00 1.00 H +ATOM 350 HA LEU A 24 -17.942 0.439 -12.833 1.00 1.00 H +ATOM 351 HB2 LEU A 24 -15.448 -0.357 -12.320 1.00 1.00 H +ATOM 352 HB3 LEU A 24 -15.205 1.368 -12.127 1.00 1.00 H +ATOM 353 HG LEU A 24 -17.312 -0.228 -10.644 1.00 1.00 H +ATOM 354 HD11 LEU A 24 -14.503 -0.220 -10.252 1.00 1.00 H +ATOM 355 HD12 LEU A 24 -15.229 0.731 -8.934 1.00 1.00 H +ATOM 356 HD13 LEU A 24 -15.767 -0.940 -9.226 1.00 1.00 H +ATOM 357 HD21 LEU A 24 -16.651 2.636 -10.823 1.00 1.00 H +ATOM 358 HD22 LEU A 24 -18.154 1.825 -10.321 1.00 1.00 H +ATOM 359 HD23 LEU A 24 -16.814 2.011 -9.164 1.00 1.00 H +ATOM 360 N LEU A 25 -16.617 2.751 -14.611 1.00 1.00 N +ATOM 361 CA LEU A 25 -16.721 4.138 -15.032 1.00 1.00 C +ATOM 362 C LEU A 25 -18.189 4.564 -15.014 1.00 1.00 C +ATOM 363 O LEU A 25 -19.073 3.772 -15.336 1.00 1.00 O +ATOM 364 CB LEU A 25 -16.038 4.339 -16.387 1.00 1.00 C +ATOM 365 CG LEU A 25 -16.315 5.671 -17.085 1.00 1.00 C +ATOM 366 CD1 LEU A 25 -15.861 6.848 -16.220 1.00 1.00 C +ATOM 367 CD2 LEU A 25 -15.680 5.704 -18.478 1.00 1.00 C +ATOM 368 H LEU A 25 -16.092 2.161 -15.225 1.00 1.00 H +ATOM 369 HA LEU A 25 -16.177 4.741 -14.305 1.00 1.00 H +ATOM 370 HB2 LEU A 25 -14.962 4.242 -16.248 1.00 1.00 H +ATOM 371 HB3 LEU A 25 -16.348 3.531 -17.051 1.00 1.00 H +ATOM 372 HG LEU A 25 -17.393 5.769 -17.221 1.00 1.00 H +ATOM 373 HD11 LEU A 25 -15.250 6.480 -15.397 1.00 1.00 H +ATOM 374 HD12 LEU A 25 -15.276 7.540 -16.827 1.00 1.00 H +ATOM 375 HD13 LEU A 25 -16.735 7.365 -15.822 1.00 1.00 H +ATOM 376 HD21 LEU A 25 -14.731 5.165 -18.455 1.00 1.00 H +ATOM 377 HD22 LEU A 25 -16.350 5.229 -19.194 1.00 1.00 H +ATOM 378 HD23 LEU A 25 -15.504 6.738 -18.773 1.00 1.00 H +ATOM 379 N SER A 26 -18.405 5.814 -14.633 1.00 1.00 N +ATOM 380 CA SER A 26 -19.752 6.355 -14.567 1.00 1.00 C +ATOM 381 C SER A 26 -20.506 6.039 -15.862 1.00 1.00 C +ATOM 382 O SER A 26 -21.126 4.984 -15.981 1.00 1.00 O +ATOM 383 CB SER A 26 -19.728 7.865 -14.324 1.00 1.00 C +ATOM 384 OG SER A 26 -19.311 8.183 -12.999 1.00 1.00 O +ATOM 385 H SER A 26 -17.681 6.452 -14.372 1.00 1.00 H +ATOM 386 HA SER A 26 -20.223 5.857 -13.720 1.00 1.00 H +ATOM 387 HB2 SER A 26 -19.056 8.337 -15.039 1.00 1.00 H +ATOM 388 HB3 SER A 26 -20.722 8.277 -14.499 1.00 1.00 H +ATOM 389 HG SER A 26 -19.237 7.349 -12.453 1.00 1.00 H +ATOM 390 N SER A 27 -20.426 6.972 -16.799 1.00 1.00 N +ATOM 391 CA SER A 27 -21.092 6.807 -18.078 1.00 1.00 C +ATOM 392 C SER A 27 -20.720 7.958 -19.015 1.00 1.00 C +ATOM 393 O SER A 27 -19.858 7.805 -19.878 1.00 1.00 O +ATOM 394 CB SER A 27 -22.612 6.736 -17.904 1.00 1.00 C +ATOM 395 OG SER A 27 -23.099 7.761 -17.042 1.00 1.00 O +ATOM 396 H SER A 27 -19.919 7.828 -16.694 1.00 1.00 H +ATOM 397 HA SER A 27 -20.728 5.858 -18.473 1.00 1.00 H +ATOM 398 HB2 SER A 27 -23.093 6.823 -18.878 1.00 1.00 H +ATOM 399 HB3 SER A 27 -22.884 5.762 -17.499 1.00 1.00 H +ATOM 400 HG SER A 27 -23.981 7.493 -16.656 1.00 1.00 H +ATOM 401 N GLY A 28 -21.388 9.084 -18.813 1.00 1.00 N +ATOM 402 CA GLY A 28 -21.137 10.260 -19.629 1.00 1.00 C +ATOM 403 C GLY A 28 -21.133 11.530 -18.775 1.00 1.00 C +ATOM 404 O GLY A 28 -22.189 12.093 -18.490 1.00 1.00 O +ATOM 405 H GLY A 28 -22.088 9.200 -18.108 1.00 1.00 H +ATOM 406 HA2 GLY A 28 -20.179 10.157 -20.138 1.00 1.00 H +ATOM 407 HA3 GLY A 28 -21.902 10.339 -20.403 1.00 1.00 H +ATOM 408 N ILE A 29 -19.935 11.942 -18.390 1.00 1.00 N +ATOM 409 CA ILE A 29 -19.780 13.135 -17.574 1.00 1.00 C +ATOM 410 C ILE A 29 -18.953 14.168 -18.343 1.00 1.00 C +ATOM 411 O ILE A 29 -18.680 13.993 -19.529 1.00 1.00 O +ATOM 412 CB ILE A 29 -19.199 12.776 -16.205 1.00 1.00 C +ATOM 413 CG1 ILE A 29 -18.921 11.274 -16.105 1.00 1.00 C +ATOM 414 CG2 ILE A 29 -20.107 13.268 -15.078 1.00 1.00 C +ATOM 415 CD1 ILE A 29 -18.322 10.918 -14.743 1.00 1.00 C +ATOM 416 H ILE A 29 -19.081 11.478 -18.626 1.00 1.00 H +ATOM 417 HA ILE A 29 -20.776 13.546 -17.404 1.00 1.00 H +ATOM 418 HB ILE A 29 -18.243 13.288 -16.096 1.00 1.00 H +ATOM 419 HG12 ILE A 29 -19.847 10.718 -16.256 1.00 1.00 H +ATOM 420 HG13 ILE A 29 -18.236 10.973 -16.898 1.00 1.00 H +ATOM 421 HG21 ILE A 29 -21.078 13.545 -15.488 1.00 1.00 H +ATOM 422 HG22 ILE A 29 -20.237 12.473 -14.342 1.00 1.00 H +ATOM 423 HG23 ILE A 29 -19.655 14.137 -14.599 1.00 1.00 H +ATOM 424 HD11 ILE A 29 -17.556 11.647 -14.481 1.00 1.00 H +ATOM 425 HD12 ILE A 29 -19.107 10.929 -13.986 1.00 1.00 H +ATOM 426 HD13 ILE A 29 -17.876 9.924 -14.790 1.00 1.00 H +ATOM 427 N ASN A 30 -18.579 15.224 -17.633 1.00 1.00 N +ATOM 428 CA ASN A 30 -17.788 16.285 -18.232 1.00 1.00 C +ATOM 429 C ASN A 30 -16.351 15.799 -18.427 1.00 1.00 C +ATOM 430 O ASN A 30 -15.518 16.516 -18.978 1.00 1.00 O +ATOM 431 CB ASN A 30 -17.752 17.520 -17.332 1.00 1.00 C +ATOM 432 CG ASN A 30 -17.435 17.135 -15.886 1.00 1.00 C +ATOM 433 OD1 ASN A 30 -16.810 16.125 -15.608 1.00 1.00 O +ATOM 434 ND2 ASN A 30 -17.897 17.994 -14.982 1.00 1.00 N +ATOM 435 H ASN A 30 -18.806 15.358 -16.669 1.00 1.00 H +ATOM 436 HA ASN A 30 -18.283 16.511 -19.177 1.00 1.00 H +ATOM 437 HB2 ASN A 30 -17.003 18.221 -17.698 1.00 1.00 H +ATOM 438 HB3 ASN A 30 -18.713 18.033 -17.372 1.00 1.00 H +ATOM 439 HD21 ASN A 30 -18.404 18.805 -15.277 1.00 1.00 H +ATOM 440 HD22 ASN A 30 -17.741 17.829 -14.008 1.00 1.00 H +ATOM 441 N GLY A 31 -16.105 14.582 -17.962 1.00 1.00 N +ATOM 442 CA GLY A 31 -14.782 13.991 -18.077 1.00 1.00 C +ATOM 443 C GLY A 31 -14.355 13.344 -16.760 1.00 1.00 C +ATOM 444 O GLY A 31 -14.295 14.009 -15.727 1.00 1.00 O +ATOM 445 H GLY A 31 -16.788 14.006 -17.514 1.00 1.00 H +ATOM 446 HA2 GLY A 31 -14.781 13.246 -18.872 1.00 1.00 H +ATOM 447 HA3 GLY A 31 -14.060 14.759 -18.360 1.00 1.00 H +ATOM 448 N SER A 32 -14.068 12.052 -16.838 1.00 1.00 N +ATOM 449 CA SER A 32 -13.649 11.306 -15.664 1.00 1.00 C +ATOM 450 C SER A 32 -12.459 10.409 -16.011 1.00 1.00 C +ATOM 451 O SER A 32 -12.421 9.811 -17.085 1.00 1.00 O +ATOM 452 CB SER A 32 -14.799 10.467 -15.102 1.00 1.00 C +ATOM 453 OG SER A 32 -15.357 9.600 -16.086 1.00 1.00 O +ATOM 454 H SER A 32 -14.121 11.518 -17.682 1.00 1.00 H +ATOM 455 HA SER A 32 -13.358 12.059 -14.931 1.00 1.00 H +ATOM 456 HB2 SER A 32 -14.440 9.876 -14.260 1.00 1.00 H +ATOM 457 HB3 SER A 32 -15.576 11.129 -14.719 1.00 1.00 H +ATOM 458 HG SER A 32 -16.327 9.449 -15.898 1.00 1.00 H +ATOM 459 N PHE A 33 -11.517 10.344 -15.083 1.00 1.00 N +ATOM 460 CA PHE A 33 -10.328 9.531 -15.279 1.00 1.00 C +ATOM 461 C PHE A 33 -10.231 8.437 -14.213 1.00 1.00 C +ATOM 462 O PHE A 33 -10.941 8.480 -13.208 1.00 1.00 O +ATOM 463 CB PHE A 33 -9.121 10.461 -15.148 1.00 1.00 C +ATOM 464 CG PHE A 33 -9.145 11.649 -16.112 1.00 1.00 C +ATOM 465 CD1 PHE A 33 -10.248 12.438 -16.192 1.00 1.00 C +ATOM 466 CD2 PHE A 33 -8.060 11.915 -16.889 1.00 1.00 C +ATOM 467 CE1 PHE A 33 -10.270 13.541 -17.087 1.00 1.00 C +ATOM 468 CE2 PHE A 33 -8.082 13.016 -17.784 1.00 1.00 C +ATOM 469 CZ PHE A 33 -9.185 13.806 -17.864 1.00 1.00 C +ATOM 470 H PHE A 33 -11.554 10.834 -14.212 1.00 1.00 H +ATOM 471 HA PHE A 33 -10.410 9.070 -16.263 1.00 1.00 H +ATOM 472 HB2 PHE A 33 -9.075 10.837 -14.125 1.00 1.00 H +ATOM 473 HB3 PHE A 33 -8.211 9.886 -15.317 1.00 1.00 H +ATOM 474 HD1 PHE A 33 -11.117 12.225 -15.570 1.00 1.00 H +ATOM 475 HD2 PHE A 33 -7.175 11.282 -16.824 1.00 1.00 H +ATOM 476 HE1 PHE A 33 -11.155 14.174 -17.152 1.00 1.00 H +ATOM 477 HE2 PHE A 33 -7.212 13.229 -18.407 1.00 1.00 H +ATOM 478 HZ PHE A 33 -9.202 14.652 -18.552 1.00 1.00 H +ATOM 479 N LEU A 34 -9.347 7.483 -14.467 1.00 1.00 N +ATOM 480 CA LEU A 34 -9.149 6.380 -13.542 1.00 1.00 C +ATOM 481 C LEU A 34 -7.691 5.920 -13.610 1.00 1.00 C +ATOM 482 O LEU A 34 -7.238 5.432 -14.644 1.00 1.00 O +ATOM 483 CB LEU A 34 -10.160 5.265 -13.813 1.00 1.00 C +ATOM 484 CG LEU A 34 -11.300 5.612 -14.773 1.00 1.00 C +ATOM 485 CD1 LEU A 34 -11.425 4.562 -15.878 1.00 1.00 C +ATOM 486 CD2 LEU A 34 -12.615 5.803 -14.013 1.00 1.00 C +ATOM 487 H LEU A 34 -8.774 7.457 -15.286 1.00 1.00 H +ATOM 488 HA LEU A 34 -9.346 6.758 -12.538 1.00 1.00 H +ATOM 489 HB2 LEU A 34 -9.623 4.405 -14.215 1.00 1.00 H +ATOM 490 HB3 LEU A 34 -10.592 4.955 -12.863 1.00 1.00 H +ATOM 491 HG LEU A 34 -11.065 6.561 -15.254 1.00 1.00 H +ATOM 492 HD11 LEU A 34 -10.470 4.051 -16.003 1.00 1.00 H +ATOM 493 HD12 LEU A 34 -12.194 3.839 -15.608 1.00 1.00 H +ATOM 494 HD13 LEU A 34 -11.699 5.052 -16.814 1.00 1.00 H +ATOM 495 HD21 LEU A 34 -12.555 5.299 -13.049 1.00 1.00 H +ATOM 496 HD22 LEU A 34 -12.793 6.867 -13.857 1.00 1.00 H +ATOM 497 HD23 LEU A 34 -13.434 5.380 -14.594 1.00 1.00 H +ATOM 498 N VAL A 35 -6.997 6.092 -12.494 1.00 1.00 N +ATOM 499 CA VAL A 35 -5.600 5.699 -12.414 1.00 1.00 C +ATOM 500 C VAL A 35 -5.490 4.182 -12.578 1.00 1.00 C +ATOM 501 O VAL A 35 -6.328 3.437 -12.070 1.00 1.00 O +ATOM 502 CB VAL A 35 -4.989 6.205 -11.106 1.00 1.00 C +ATOM 503 CG1 VAL A 35 -4.982 5.105 -10.043 1.00 1.00 C +ATOM 504 CG2 VAL A 35 -3.579 6.755 -11.335 1.00 1.00 C +ATOM 505 H VAL A 35 -7.373 6.490 -11.657 1.00 1.00 H +ATOM 506 HA VAL A 35 -5.076 6.181 -13.240 1.00 1.00 H +ATOM 507 HB VAL A 35 -5.612 7.021 -10.739 1.00 1.00 H +ATOM 508 HG11 VAL A 35 -5.796 4.406 -10.238 1.00 1.00 H +ATOM 509 HG12 VAL A 35 -4.032 4.572 -10.076 1.00 1.00 H +ATOM 510 HG13 VAL A 35 -5.114 5.550 -9.056 1.00 1.00 H +ATOM 511 HG21 VAL A 35 -3.523 7.205 -12.326 1.00 1.00 H +ATOM 512 HG22 VAL A 35 -3.356 7.509 -10.580 1.00 1.00 H +ATOM 513 HG23 VAL A 35 -2.856 5.942 -11.263 1.00 1.00 H +ATOM 514 N ARG A 36 -4.451 3.769 -13.289 1.00 1.00 N +ATOM 515 CA ARG A 36 -4.222 2.355 -13.526 1.00 1.00 C +ATOM 516 C ARG A 36 -2.872 1.931 -12.943 1.00 1.00 C +ATOM 517 O ARG A 36 -2.167 2.743 -12.344 1.00 1.00 O +ATOM 518 CB ARG A 36 -4.246 2.036 -15.022 1.00 1.00 C +ATOM 519 CG ARG A 36 -5.534 1.306 -15.406 1.00 1.00 C +ATOM 520 CD ARG A 36 -5.316 -0.208 -15.444 1.00 1.00 C +ATOM 521 NE ARG A 36 -4.979 -0.704 -14.090 1.00 1.00 N +ATOM 522 CZ ARG A 36 -4.642 -1.973 -13.818 1.00 1.00 C +ATOM 523 NH1 ARG A 36 -4.595 -2.881 -14.803 1.00 1.00 N +ATOM 524 NH2 ARG A 36 -4.352 -2.333 -12.560 1.00 1.00 N +ATOM 525 H ARG A 36 -3.775 4.382 -13.698 1.00 1.00 H +ATOM 526 HA ARG A 36 -5.044 1.850 -13.020 1.00 1.00 H +ATOM 527 HB2 ARG A 36 -4.162 2.959 -15.595 1.00 1.00 H +ATOM 528 HB3 ARG A 36 -3.384 1.420 -15.279 1.00 1.00 H +ATOM 529 HG2 ARG A 36 -6.320 1.546 -14.690 1.00 1.00 H +ATOM 530 HG3 ARG A 36 -5.875 1.652 -16.382 1.00 1.00 H +ATOM 531 HD2 ARG A 36 -6.215 -0.704 -15.809 1.00 1.00 H +ATOM 532 HD3 ARG A 36 -4.514 -0.451 -16.140 1.00 1.00 H +ATOM 533 HE ARG A 36 -5.005 -0.053 -13.333 1.00 1.00 H +ATOM 534 HH11 ARG A 36 -4.813 -2.611 -15.742 1.00 1.00 H +ATOM 535 HH12 ARG A 36 -4.344 -3.826 -14.599 1.00 1.00 H +ATOM 536 HH21 ARG A 36 -4.387 -1.655 -11.826 1.00 1.00 H +ATOM 537 HH22 ARG A 36 -4.100 -3.279 -12.357 1.00 1.00 H +ATOM 538 N GLU A 37 -2.553 0.660 -13.138 1.00 1.00 N +ATOM 539 CA GLU A 37 -1.299 0.119 -12.638 1.00 1.00 C +ATOM 540 C GLU A 37 -0.557 -0.617 -13.756 1.00 1.00 C +ATOM 541 O GLU A 37 -0.914 -0.499 -14.926 1.00 1.00 O +ATOM 542 CB GLU A 37 -1.537 -0.802 -11.441 1.00 1.00 C +ATOM 543 CG GLU A 37 -1.019 -0.166 -10.149 1.00 1.00 C +ATOM 544 CD GLU A 37 -0.917 -1.204 -9.029 1.00 1.00 C +ATOM 545 OE1 GLU A 37 -0.745 -2.393 -9.372 1.00 1.00 O +ATOM 546 OE2 GLU A 37 -1.015 -0.784 -7.856 1.00 1.00 O +ATOM 547 H GLU A 37 -3.130 0.006 -13.626 1.00 1.00 H +ATOM 548 HA GLU A 37 -0.718 0.983 -12.315 1.00 1.00 H +ATOM 549 HB2 GLU A 37 -2.603 -1.010 -11.344 1.00 1.00 H +ATOM 550 HB3 GLU A 37 -1.040 -1.757 -11.605 1.00 1.00 H +ATOM 551 HG2 GLU A 37 -0.041 0.279 -10.326 1.00 1.00 H +ATOM 552 HG3 GLU A 37 -1.687 0.639 -9.842 1.00 1.00 H +ATOM 553 N SER A 38 0.465 -1.361 -13.355 1.00 1.00 N +ATOM 554 CA SER A 38 1.260 -2.116 -14.308 1.00 1.00 C +ATOM 555 C SER A 38 0.353 -2.739 -15.370 1.00 1.00 C +ATOM 556 O SER A 38 -0.554 -3.505 -15.045 1.00 1.00 O +ATOM 557 CB SER A 38 2.078 -3.200 -13.603 1.00 1.00 C +ATOM 558 OG SER A 38 2.083 -4.424 -14.334 1.00 1.00 O +ATOM 559 H SER A 38 0.749 -1.452 -12.401 1.00 1.00 H +ATOM 560 HA SER A 38 1.935 -1.389 -14.760 1.00 1.00 H +ATOM 561 HB2 SER A 38 3.102 -2.854 -13.472 1.00 1.00 H +ATOM 562 HB3 SER A 38 1.670 -3.375 -12.608 1.00 1.00 H +ATOM 563 HG SER A 38 1.144 -4.744 -14.473 1.00 1.00 H +ATOM 564 N GLU A 39 0.629 -2.390 -16.617 1.00 1.00 N +ATOM 565 CA GLU A 39 -0.151 -2.907 -17.729 1.00 1.00 C +ATOM 566 C GLU A 39 0.730 -3.761 -18.643 1.00 1.00 C +ATOM 567 O GLU A 39 1.178 -3.297 -19.690 1.00 1.00 O +ATOM 568 CB GLU A 39 -0.811 -1.769 -18.510 1.00 1.00 C +ATOM 569 CG GLU A 39 -1.930 -2.297 -19.408 1.00 1.00 C +ATOM 570 CD GLU A 39 -2.440 -3.652 -18.909 1.00 1.00 C +ATOM 571 OE1 GLU A 39 -3.143 -3.648 -17.877 1.00 1.00 O +ATOM 572 OE2 GLU A 39 -2.114 -4.659 -19.574 1.00 1.00 O +ATOM 573 H GLU A 39 1.369 -1.768 -16.873 1.00 1.00 H +ATOM 574 HA GLU A 39 -0.925 -3.525 -17.277 1.00 1.00 H +ATOM 575 HB2 GLU A 39 -1.214 -1.031 -17.817 1.00 1.00 H +ATOM 576 HB3 GLU A 39 -0.063 -1.258 -19.119 1.00 1.00 H +ATOM 577 HG2 GLU A 39 -2.753 -1.583 -19.430 1.00 1.00 H +ATOM 578 HG3 GLU A 39 -1.567 -2.396 -20.430 1.00 1.00 H +ATOM 579 N SER A 40 0.949 -4.995 -18.214 1.00 1.00 N +ATOM 580 CA SER A 40 1.767 -5.919 -18.981 1.00 1.00 C +ATOM 581 C SER A 40 3.157 -6.036 -18.350 1.00 1.00 C +ATOM 582 O SER A 40 3.833 -7.051 -18.512 1.00 1.00 O +ATOM 583 CB SER A 40 1.882 -5.474 -20.440 1.00 1.00 C +ATOM 584 OG SER A 40 2.324 -6.529 -21.288 1.00 1.00 O +ATOM 585 H SER A 40 0.581 -5.365 -17.361 1.00 1.00 H +ATOM 586 HA SER A 40 1.244 -6.874 -18.934 1.00 1.00 H +ATOM 587 HB2 SER A 40 0.914 -5.111 -20.786 1.00 1.00 H +ATOM 588 HB3 SER A 40 2.578 -4.637 -20.510 1.00 1.00 H +ATOM 589 HG SER A 40 3.318 -6.620 -21.231 1.00 1.00 H +ATOM 590 N SER A 41 3.540 -4.983 -17.644 1.00 1.00 N +ATOM 591 CA SER A 41 4.837 -4.953 -16.988 1.00 1.00 C +ATOM 592 C SER A 41 4.670 -4.580 -15.514 1.00 1.00 C +ATOM 593 O SER A 41 4.075 -3.552 -15.193 1.00 1.00 O +ATOM 594 CB SER A 41 5.782 -3.970 -17.681 1.00 1.00 C +ATOM 595 OG SER A 41 5.107 -3.172 -18.649 1.00 1.00 O +ATOM 596 H SER A 41 2.984 -4.161 -17.517 1.00 1.00 H +ATOM 597 HA SER A 41 5.231 -5.965 -17.084 1.00 1.00 H +ATOM 598 HB2 SER A 41 6.242 -3.322 -16.933 1.00 1.00 H +ATOM 599 HB3 SER A 41 6.588 -4.522 -18.164 1.00 1.00 H +ATOM 600 HG SER A 41 4.376 -2.650 -18.210 1.00 1.00 H +ATOM 601 N PRO A 42 5.218 -5.460 -14.632 1.00 1.00 N +ATOM 602 CA PRO A 42 5.135 -5.233 -13.200 1.00 1.00 C +ATOM 603 C PRO A 42 6.105 -4.133 -12.761 1.00 1.00 C +ATOM 604 O PRO A 42 7.321 -4.310 -12.832 1.00 1.00 O +ATOM 605 CB PRO A 42 5.441 -6.582 -12.570 1.00 1.00 C +ATOM 606 CG PRO A 42 6.137 -7.397 -13.647 1.00 1.00 C +ATOM 607 CD PRO A 42 5.929 -6.687 -14.975 1.00 1.00 C +ATOM 608 HA PRO A 42 4.223 -4.906 -12.952 1.00 1.00 H +ATOM 609 HB2 PRO A 42 6.079 -6.467 -11.694 1.00 1.00 H +ATOM 610 HB3 PRO A 42 4.527 -7.073 -12.237 1.00 1.00 H +ATOM 611 HG2 PRO A 42 7.199 -7.492 -13.427 1.00 1.00 H +ATOM 612 HG3 PRO A 42 5.729 -8.407 -13.686 1.00 1.00 H +ATOM 613 HD2 PRO A 42 6.880 -6.471 -15.462 1.00 1.00 H +ATOM 614 HD3 PRO A 42 5.349 -7.301 -15.666 1.00 1.00 H +ATOM 615 N GLY A 43 5.533 -3.024 -12.318 1.00 1.00 N +ATOM 616 CA GLY A 43 6.332 -1.897 -11.869 1.00 1.00 C +ATOM 617 C GLY A 43 5.974 -0.627 -12.643 1.00 1.00 C +ATOM 618 O GLY A 43 6.526 0.440 -12.383 1.00 1.00 O +ATOM 619 H GLY A 43 4.542 -2.889 -12.263 1.00 1.00 H +ATOM 620 HA2 GLY A 43 6.171 -1.735 -10.803 1.00 1.00 H +ATOM 621 HA3 GLY A 43 7.391 -2.122 -12.000 1.00 1.00 H +ATOM 622 N GLN A 44 5.048 -0.784 -13.579 1.00 1.00 N +ATOM 623 CA GLN A 44 4.609 0.336 -14.393 1.00 1.00 C +ATOM 624 C GLN A 44 3.216 0.794 -13.958 1.00 1.00 C +ATOM 625 O GLN A 44 2.499 0.058 -13.280 1.00 1.00 O +ATOM 626 CB GLN A 44 4.629 -0.024 -15.880 1.00 1.00 C +ATOM 627 CG GLN A 44 5.592 -1.182 -16.149 1.00 1.00 C +ATOM 628 CD GLN A 44 6.591 -0.820 -17.250 1.00 1.00 C +ATOM 629 OE1 GLN A 44 6.535 -1.316 -18.364 1.00 1.00 O +ATOM 630 NE2 GLN A 44 7.506 0.071 -16.877 1.00 1.00 N +ATOM 631 H GLN A 44 4.603 -1.656 -13.784 1.00 1.00 H +ATOM 632 HA GLN A 44 5.334 1.129 -14.208 1.00 1.00 H +ATOM 633 HB2 GLN A 44 3.625 -0.298 -16.204 1.00 1.00 H +ATOM 634 HB3 GLN A 44 4.928 0.846 -16.465 1.00 1.00 H +ATOM 635 HG2 GLN A 44 6.129 -1.435 -15.235 1.00 1.00 H +ATOM 636 HG3 GLN A 44 5.028 -2.067 -16.443 1.00 1.00 H +ATOM 637 HE21 GLN A 44 7.496 0.438 -15.948 1.00 1.00 H +ATOM 638 HE22 GLN A 44 8.204 0.372 -17.529 1.00 1.00 H +ATOM 639 N ARG A 45 2.873 2.007 -14.367 1.00 1.00 N +ATOM 640 CA ARG A 45 1.577 2.571 -14.027 1.00 1.00 C +ATOM 641 C ARG A 45 0.884 3.103 -15.284 1.00 1.00 C +ATOM 642 O ARG A 45 1.547 3.479 -16.249 1.00 1.00 O +ATOM 643 CB ARG A 45 1.719 3.707 -13.012 1.00 1.00 C +ATOM 644 CG ARG A 45 0.376 4.400 -12.773 1.00 1.00 C +ATOM 645 CD ARG A 45 0.285 5.707 -13.565 1.00 1.00 C +ATOM 646 NE ARG A 45 -0.593 6.667 -12.860 1.00 1.00 N +ATOM 647 CZ ARG A 45 -0.201 7.879 -12.446 1.00 1.00 C +ATOM 648 NH1 ARG A 45 1.055 8.289 -12.666 1.00 1.00 N +ATOM 649 NH2 ARG A 45 -1.066 8.683 -11.813 1.00 1.00 N +ATOM 650 H ARG A 45 3.459 2.599 -14.917 1.00 1.00 H +ATOM 651 HA ARG A 45 1.017 1.743 -13.592 1.00 1.00 H +ATOM 652 HB2 ARG A 45 2.102 3.313 -12.072 1.00 1.00 H +ATOM 653 HB3 ARG A 45 2.448 4.433 -13.373 1.00 1.00 H +ATOM 654 HG2 ARG A 45 -0.437 3.736 -13.066 1.00 1.00 H +ATOM 655 HG3 ARG A 45 0.253 4.607 -11.710 1.00 1.00 H +ATOM 656 HD2 ARG A 45 1.280 6.135 -13.691 1.00 1.00 H +ATOM 657 HD3 ARG A 45 -0.106 5.510 -14.564 1.00 1.00 H +ATOM 658 HE ARG A 45 -1.537 6.391 -12.679 1.00 1.00 H +ATOM 659 HH11 ARG A 45 1.702 7.688 -13.139 1.00 1.00 H +ATOM 660 HH12 ARG A 45 1.348 9.193 -12.359 1.00 1.00 H +ATOM 661 HH21 ARG A 45 -2.005 8.378 -11.649 1.00 1.00 H +ATOM 662 HH22 ARG A 45 -0.774 9.589 -11.506 1.00 1.00 H +ATOM 663 N SER A 46 -0.439 3.119 -15.230 1.00 1.00 N +ATOM 664 CA SER A 46 -1.228 3.599 -16.351 1.00 1.00 C +ATOM 665 C SER A 46 -2.289 4.586 -15.861 1.00 1.00 C +ATOM 666 O SER A 46 -2.493 4.737 -14.657 1.00 1.00 O +ATOM 667 CB SER A 46 -1.889 2.438 -17.098 1.00 1.00 C +ATOM 668 OG SER A 46 -1.591 1.180 -16.498 1.00 1.00 O +ATOM 669 H SER A 46 -0.971 2.813 -14.440 1.00 1.00 H +ATOM 670 HA SER A 46 -0.518 4.097 -17.012 1.00 1.00 H +ATOM 671 HB2 SER A 46 -2.970 2.585 -17.113 1.00 1.00 H +ATOM 672 HB3 SER A 46 -1.553 2.435 -18.134 1.00 1.00 H +ATOM 673 HG SER A 46 -1.412 1.299 -15.521 1.00 1.00 H +ATOM 674 N ILE A 47 -2.937 5.234 -16.819 1.00 1.00 N +ATOM 675 CA ILE A 47 -3.973 6.203 -16.498 1.00 1.00 C +ATOM 676 C ILE A 47 -5.170 5.988 -17.426 1.00 1.00 C +ATOM 677 O ILE A 47 -5.013 5.503 -18.547 1.00 1.00 O +ATOM 678 CB ILE A 47 -3.407 7.624 -16.542 1.00 1.00 C +ATOM 679 CG1 ILE A 47 -3.700 8.371 -15.240 1.00 1.00 C +ATOM 680 CG2 ILE A 47 -3.923 8.382 -17.766 1.00 1.00 C +ATOM 681 CD1 ILE A 47 -2.404 8.760 -14.526 1.00 1.00 C +ATOM 682 H ILE A 47 -2.766 5.104 -17.795 1.00 1.00 H +ATOM 683 HA ILE A 47 -4.291 6.013 -15.474 1.00 1.00 H +ATOM 684 HB ILE A 47 -2.323 7.558 -16.638 1.00 1.00 H +ATOM 685 HG12 ILE A 47 -4.286 9.265 -15.453 1.00 1.00 H +ATOM 686 HG13 ILE A 47 -4.306 7.743 -14.584 1.00 1.00 H +ATOM 687 HG21 ILE A 47 -5.013 8.404 -17.747 1.00 1.00 H +ATOM 688 HG22 ILE A 47 -3.540 9.402 -17.750 1.00 1.00 H +ATOM 689 HG23 ILE A 47 -3.586 7.881 -18.673 1.00 1.00 H +ATOM 690 HD11 ILE A 47 -1.584 8.767 -15.243 1.00 1.00 H +ATOM 691 HD12 ILE A 47 -2.515 9.753 -14.089 1.00 1.00 H +ATOM 692 HD13 ILE A 47 -2.193 8.038 -13.738 1.00 1.00 H +ATOM 693 N SER A 48 -6.339 6.361 -16.928 1.00 1.00 N +ATOM 694 CA SER A 48 -7.562 6.216 -17.697 1.00 1.00 C +ATOM 695 C SER A 48 -8.330 7.538 -17.714 1.00 1.00 C +ATOM 696 O SER A 48 -8.479 8.187 -16.680 1.00 1.00 O +ATOM 697 CB SER A 48 -8.440 5.100 -17.130 1.00 1.00 C +ATOM 698 OG SER A 48 -8.979 4.269 -18.157 1.00 1.00 O +ATOM 699 H SER A 48 -6.458 6.755 -16.016 1.00 1.00 H +ATOM 700 HA SER A 48 -7.240 5.948 -18.703 1.00 1.00 H +ATOM 701 HB2 SER A 48 -7.854 4.491 -16.441 1.00 1.00 H +ATOM 702 HB3 SER A 48 -9.256 5.537 -16.554 1.00 1.00 H +ATOM 703 HG SER A 48 -8.237 3.837 -18.670 1.00 1.00 H +ATOM 704 N LEU A 49 -8.796 7.900 -18.900 1.00 1.00 N +ATOM 705 CA LEU A 49 -9.544 9.135 -19.066 1.00 1.00 C +ATOM 706 C LEU A 49 -10.892 8.825 -19.721 1.00 1.00 C +ATOM 707 O LEU A 49 -10.973 7.984 -20.615 1.00 1.00 O +ATOM 708 CB LEU A 49 -8.714 10.168 -19.829 1.00 1.00 C +ATOM 709 CG LEU A 49 -7.252 9.795 -20.086 1.00 1.00 C +ATOM 710 CD1 LEU A 49 -7.117 8.943 -21.349 1.00 1.00 C +ATOM 711 CD2 LEU A 49 -6.368 11.043 -20.138 1.00 1.00 C +ATOM 712 H LEU A 49 -8.670 7.367 -19.738 1.00 1.00 H +ATOM 713 HA LEU A 49 -9.730 9.541 -18.071 1.00 1.00 H +ATOM 714 HB2 LEU A 49 -9.193 10.354 -20.789 1.00 1.00 H +ATOM 715 HB3 LEU A 49 -8.736 11.105 -19.273 1.00 1.00 H +ATOM 716 HG LEU A 49 -6.901 9.188 -19.249 1.00 1.00 H +ATOM 717 HD11 LEU A 49 -7.808 8.102 -21.296 1.00 1.00 H +ATOM 718 HD12 LEU A 49 -7.351 9.552 -22.222 1.00 1.00 H +ATOM 719 HD13 LEU A 49 -6.096 8.571 -21.430 1.00 1.00 H +ATOM 720 HD21 LEU A 49 -6.937 11.905 -19.789 1.00 1.00 H +ATOM 721 HD22 LEU A 49 -5.497 10.899 -19.499 1.00 1.00 H +ATOM 722 HD23 LEU A 49 -6.042 11.215 -21.164 1.00 1.00 H +ATOM 723 N ARG A 50 -11.917 9.522 -19.252 1.00 1.00 N +ATOM 724 CA ARG A 50 -13.257 9.332 -19.781 1.00 1.00 C +ATOM 725 C ARG A 50 -13.720 10.589 -20.519 1.00 1.00 C +ATOM 726 O ARG A 50 -13.540 11.703 -20.028 1.00 1.00 O +ATOM 727 CB ARG A 50 -14.250 9.011 -18.663 1.00 1.00 C +ATOM 728 CG ARG A 50 -15.692 9.187 -19.142 1.00 1.00 C +ATOM 729 CD ARG A 50 -15.965 8.337 -20.385 1.00 1.00 C +ATOM 730 NE ARG A 50 -17.164 7.497 -20.170 1.00 1.00 N +ATOM 731 CZ ARG A 50 -17.496 6.450 -20.937 1.00 1.00 C +ATOM 732 NH1 ARG A 50 -16.719 6.107 -21.974 1.00 1.00 N +ATOM 733 NH2 ARG A 50 -18.602 5.745 -20.669 1.00 1.00 N +ATOM 734 H ARG A 50 -11.842 10.204 -18.525 1.00 1.00 H +ATOM 735 HA ARG A 50 -13.170 8.486 -20.464 1.00 1.00 H +ATOM 736 HB2 ARG A 50 -14.100 7.986 -18.321 1.00 1.00 H +ATOM 737 HB3 ARG A 50 -14.066 9.661 -17.809 1.00 1.00 H +ATOM 738 HG2 ARG A 50 -16.382 8.906 -18.346 1.00 1.00 H +ATOM 739 HG3 ARG A 50 -15.878 10.237 -19.368 1.00 1.00 H +ATOM 740 HD2 ARG A 50 -16.113 8.981 -21.252 1.00 1.00 H +ATOM 741 HD3 ARG A 50 -15.103 7.706 -20.600 1.00 1.00 H +ATOM 742 HE ARG A 50 -17.765 7.726 -19.404 1.00 1.00 H +ATOM 743 HH11 ARG A 50 -15.893 6.634 -22.177 1.00 1.00 H +ATOM 744 HH12 ARG A 50 -16.966 5.326 -22.548 1.00 1.00 H +ATOM 745 HH21 ARG A 50 -19.181 6.000 -19.893 1.00 1.00 H +ATOM 746 HH22 ARG A 50 -18.849 4.962 -21.242 1.00 1.00 H +ATOM 747 N TYR A 51 -14.305 10.369 -21.687 1.00 1.00 N +ATOM 748 CA TYR A 51 -14.794 11.472 -22.498 1.00 1.00 C +ATOM 749 C TYR A 51 -16.322 11.451 -22.586 1.00 1.00 C +ATOM 750 O TYR A 51 -16.987 10.853 -21.743 1.00 1.00 O +ATOM 751 CB TYR A 51 -14.212 11.258 -23.896 1.00 1.00 C +ATOM 752 CG TYR A 51 -13.003 12.142 -24.208 1.00 1.00 C +ATOM 753 CD1 TYR A 51 -11.771 11.847 -23.659 1.00 1.00 C +ATOM 754 CD2 TYR A 51 -13.143 13.235 -25.039 1.00 1.00 C +ATOM 755 CE1 TYR A 51 -10.633 12.680 -23.953 1.00 1.00 C +ATOM 756 CE2 TYR A 51 -12.006 14.067 -25.334 1.00 1.00 C +ATOM 757 CZ TYR A 51 -10.807 13.747 -24.776 1.00 1.00 C +ATOM 758 OH TYR A 51 -9.733 14.534 -25.053 1.00 1.00 O +ATOM 759 H TYR A 51 -14.446 9.460 -22.080 1.00 1.00 H +ATOM 760 HA TYR A 51 -14.477 12.402 -22.026 1.00 1.00 H +ATOM 761 HB2 TYR A 51 -13.921 10.213 -24.002 1.00 1.00 H +ATOM 762 HB3 TYR A 51 -14.989 11.448 -24.636 1.00 1.00 H +ATOM 763 HD1 TYR A 51 -11.661 10.984 -23.003 1.00 1.00 H +ATOM 764 HD2 TYR A 51 -14.116 13.467 -25.473 1.00 1.00 H +ATOM 765 HE1 TYR A 51 -9.656 12.457 -23.525 1.00 1.00 H +ATOM 766 HE2 TYR A 51 -12.103 14.933 -25.989 1.00 1.00 H +ATOM 767 HH TYR A 51 -9.866 15.000 -25.928 1.00 1.00 H +ATOM 768 N GLU A 52 -16.832 12.112 -23.614 1.00 1.00 N +ATOM 769 CA GLU A 52 -18.268 12.177 -23.825 1.00 1.00 C +ATOM 770 C GLU A 52 -18.804 10.811 -24.256 1.00 1.00 C +ATOM 771 O GLU A 52 -19.532 10.709 -25.243 1.00 1.00 O +ATOM 772 CB GLU A 52 -18.625 13.255 -24.850 1.00 1.00 C +ATOM 773 CG GLU A 52 -20.107 13.624 -24.765 1.00 1.00 C +ATOM 774 CD GLU A 52 -20.906 12.950 -25.880 1.00 1.00 C +ATOM 775 OE1 GLU A 52 -20.470 13.072 -27.045 1.00 1.00 O +ATOM 776 OE2 GLU A 52 -21.935 12.324 -25.542 1.00 1.00 O +ATOM 777 H GLU A 52 -16.283 12.596 -24.296 1.00 1.00 H +ATOM 778 HA GLU A 52 -18.690 12.451 -22.857 1.00 1.00 H +ATOM 779 HB2 GLU A 52 -18.014 14.141 -24.678 1.00 1.00 H +ATOM 780 HB3 GLU A 52 -18.392 12.898 -25.853 1.00 1.00 H +ATOM 781 HG2 GLU A 52 -20.505 13.326 -23.794 1.00 1.00 H +ATOM 782 HG3 GLU A 52 -20.219 14.707 -24.835 1.00 1.00 H +ATOM 783 N GLY A 53 -18.422 9.794 -23.497 1.00 1.00 N +ATOM 784 CA GLY A 53 -18.856 8.438 -23.789 1.00 1.00 C +ATOM 785 C GLY A 53 -17.697 7.597 -24.328 1.00 1.00 C +ATOM 786 O GLY A 53 -17.877 6.424 -24.655 1.00 1.00 O +ATOM 787 H GLY A 53 -17.830 9.885 -22.698 1.00 1.00 H +ATOM 788 HA2 GLY A 53 -19.256 7.977 -22.886 1.00 1.00 H +ATOM 789 HA3 GLY A 53 -19.664 8.461 -24.521 1.00 1.00 H +ATOM 790 N ARG A 54 -16.535 8.227 -24.402 1.00 1.00 N +ATOM 791 CA ARG A 54 -15.346 7.551 -24.894 1.00 1.00 C +ATOM 792 C ARG A 54 -14.344 7.342 -23.758 1.00 1.00 C +ATOM 793 O ARG A 54 -14.143 8.231 -22.934 1.00 1.00 O +ATOM 794 CB ARG A 54 -14.678 8.354 -26.013 1.00 1.00 C +ATOM 795 CG ARG A 54 -14.165 7.432 -27.120 1.00 1.00 C +ATOM 796 CD ARG A 54 -15.325 6.861 -27.940 1.00 1.00 C +ATOM 797 NE ARG A 54 -15.424 7.567 -29.237 1.00 1.00 N +ATOM 798 CZ ARG A 54 -14.531 7.443 -30.228 1.00 1.00 C +ATOM 799 NH1 ARG A 54 -13.466 6.642 -30.077 1.00 1.00 N +ATOM 800 NH2 ARG A 54 -14.700 8.123 -31.372 1.00 1.00 N +ATOM 801 H ARG A 54 -16.397 9.181 -24.135 1.00 1.00 H +ATOM 802 HA ARG A 54 -15.708 6.597 -25.280 1.00 1.00 H +ATOM 803 HB2 ARG A 54 -15.391 9.067 -26.429 1.00 1.00 H +ATOM 804 HB3 ARG A 54 -13.851 8.934 -25.604 1.00 1.00 H +ATOM 805 HG2 ARG A 54 -13.490 7.984 -27.775 1.00 1.00 H +ATOM 806 HG3 ARG A 54 -13.590 6.618 -26.682 1.00 1.00 H +ATOM 807 HD2 ARG A 54 -15.173 5.795 -28.106 1.00 1.00 H +ATOM 808 HD3 ARG A 54 -16.259 6.967 -27.387 1.00 1.00 H +ATOM 809 HE ARG A 54 -16.205 8.172 -29.383 1.00 1.00 H +ATOM 810 HH11 ARG A 54 -13.339 6.137 -29.223 1.00 1.00 H +ATOM 811 HH12 ARG A 54 -12.800 6.551 -30.816 1.00 1.00 H +ATOM 812 HH21 ARG A 54 -15.493 8.720 -31.485 1.00 1.00 H +ATOM 813 HH22 ARG A 54 -14.032 8.030 -32.111 1.00 1.00 H +ATOM 814 N VAL A 55 -13.743 6.161 -23.751 1.00 1.00 N +ATOM 815 CA VAL A 55 -12.768 5.824 -22.729 1.00 1.00 C +ATOM 816 C VAL A 55 -11.384 5.697 -23.372 1.00 1.00 C +ATOM 817 O VAL A 55 -11.213 4.962 -24.342 1.00 1.00 O +ATOM 818 CB VAL A 55 -13.202 4.557 -21.989 1.00 1.00 C +ATOM 819 CG1 VAL A 55 -11.989 3.715 -21.587 1.00 1.00 C +ATOM 820 CG2 VAL A 55 -14.059 4.900 -20.770 1.00 1.00 C +ATOM 821 H VAL A 55 -13.914 5.444 -24.427 1.00 1.00 H +ATOM 822 HA VAL A 55 -12.747 6.644 -22.011 1.00 1.00 H +ATOM 823 HB VAL A 55 -13.810 3.962 -22.670 1.00 1.00 H +ATOM 824 HG11 VAL A 55 -11.168 4.373 -21.299 1.00 1.00 H +ATOM 825 HG12 VAL A 55 -12.253 3.074 -20.746 1.00 1.00 H +ATOM 826 HG13 VAL A 55 -11.680 3.097 -22.431 1.00 1.00 H +ATOM 827 HG21 VAL A 55 -14.603 5.827 -20.958 1.00 1.00 H +ATOM 828 HG22 VAL A 55 -14.768 4.093 -20.585 1.00 1.00 H +ATOM 829 HG23 VAL A 55 -13.417 5.028 -19.898 1.00 1.00 H +ATOM 830 N TYR A 56 -10.435 6.427 -22.806 1.00 1.00 N +ATOM 831 CA TYR A 56 -9.072 6.405 -23.312 1.00 1.00 C +ATOM 832 C TYR A 56 -8.106 5.864 -22.257 1.00 1.00 C +ATOM 833 O TYR A 56 -8.317 6.050 -21.060 1.00 1.00 O +ATOM 834 CB TYR A 56 -8.713 7.860 -23.618 1.00 1.00 C +ATOM 835 CG TYR A 56 -9.404 8.423 -24.862 1.00 1.00 C +ATOM 836 CD1 TYR A 56 -9.383 7.713 -26.045 1.00 1.00 C +ATOM 837 CD2 TYR A 56 -10.049 9.642 -24.800 1.00 1.00 C +ATOM 838 CE1 TYR A 56 -10.033 8.243 -27.214 1.00 1.00 C +ATOM 839 CE2 TYR A 56 -10.699 10.172 -25.970 1.00 1.00 C +ATOM 840 CZ TYR A 56 -10.659 9.447 -27.120 1.00 1.00 C +ATOM 841 OH TYR A 56 -11.272 9.946 -28.226 1.00 1.00 O +ATOM 842 H TYR A 56 -10.583 7.023 -22.016 1.00 1.00 H +ATOM 843 HA TYR A 56 -9.049 5.753 -24.184 1.00 1.00 H +ATOM 844 HB2 TYR A 56 -8.976 8.477 -22.757 1.00 1.00 H +ATOM 845 HB3 TYR A 56 -7.634 7.938 -23.747 1.00 1.00 H +ATOM 846 HD1 TYR A 56 -8.874 6.750 -26.093 1.00 1.00 H +ATOM 847 HD2 TYR A 56 -10.066 10.204 -23.866 1.00 1.00 H +ATOM 848 HE1 TYR A 56 -10.024 7.692 -28.155 1.00 1.00 H +ATOM 849 HE2 TYR A 56 -11.212 11.134 -25.936 1.00 1.00 H +ATOM 850 HH TYR A 56 -11.537 10.898 -28.069 1.00 1.00 H +ATOM 851 N HIS A 57 -7.062 5.204 -22.740 1.00 1.00 N +ATOM 852 CA HIS A 57 -6.061 4.635 -21.856 1.00 1.00 C +ATOM 853 C HIS A 57 -4.667 5.085 -22.299 1.00 1.00 C +ATOM 854 O HIS A 57 -4.197 4.699 -23.367 1.00 1.00 O +ATOM 855 CB HIS A 57 -6.199 3.113 -21.787 1.00 1.00 C +ATOM 856 CG HIS A 57 -7.627 2.627 -21.731 1.00 1.00 C +ATOM 857 ND1 HIS A 57 -8.236 2.221 -20.557 1.00 1.00 N +ATOM 858 CD2 HIS A 57 -8.560 2.487 -22.716 1.00 1.00 C +ATOM 859 CE1 HIS A 57 -9.479 1.855 -20.835 1.00 1.00 C +ATOM 860 NE2 HIS A 57 -9.677 2.021 -22.174 1.00 1.00 N +ATOM 861 H HIS A 57 -6.897 5.057 -23.715 1.00 1.00 H +ATOM 862 HA HIS A 57 -6.261 5.031 -20.859 1.00 1.00 H +ATOM 863 HB2 HIS A 57 -5.710 2.674 -22.657 1.00 1.00 H +ATOM 864 HB3 HIS A 57 -5.668 2.749 -20.906 1.00 1.00 H +ATOM 865 HD1 HIS A 57 -7.811 2.206 -19.652 1.00 1.00 H +ATOM 866 HD2 HIS A 57 -8.412 2.721 -23.772 1.00 1.00 H +ATOM 867 HE1 HIS A 57 -10.213 1.486 -20.120 1.00 1.00 H +ATOM 868 N TYR A 58 -4.046 5.896 -21.455 1.00 1.00 N +ATOM 869 CA TYR A 58 -2.716 6.402 -21.747 1.00 1.00 C +ATOM 870 C TYR A 58 -1.677 5.788 -20.807 1.00 1.00 C +ATOM 871 O TYR A 58 -1.754 5.962 -19.591 1.00 1.00 O +ATOM 872 CB TYR A 58 -2.777 7.912 -21.503 1.00 1.00 C +ATOM 873 CG TYR A 58 -2.434 8.756 -22.733 1.00 1.00 C +ATOM 874 CD1 TYR A 58 -3.393 8.991 -23.696 1.00 1.00 C +ATOM 875 CD2 TYR A 58 -1.166 9.279 -22.878 1.00 1.00 C +ATOM 876 CE1 TYR A 58 -3.070 9.786 -24.854 1.00 1.00 C +ATOM 877 CE2 TYR A 58 -0.843 10.074 -24.036 1.00 1.00 C +ATOM 878 CZ TYR A 58 -1.812 10.287 -24.967 1.00 1.00 C +ATOM 879 OH TYR A 58 -1.507 11.036 -26.058 1.00 1.00 O +ATOM 880 H TYR A 58 -4.436 6.205 -20.588 1.00 1.00 H +ATOM 881 HA TYR A 58 -2.471 6.133 -22.773 1.00 1.00 H +ATOM 882 HB2 TYR A 58 -3.779 8.174 -21.163 1.00 1.00 H +ATOM 883 HB3 TYR A 58 -2.089 8.168 -20.696 1.00 1.00 H +ATOM 884 HD1 TYR A 58 -4.395 8.578 -23.581 1.00 1.00 H +ATOM 885 HD2 TYR A 58 -0.409 9.093 -22.118 1.00 1.00 H +ATOM 886 HE1 TYR A 58 -3.818 9.980 -25.622 1.00 1.00 H +ATOM 887 HE2 TYR A 58 0.155 10.493 -24.162 1.00 1.00 H +ATOM 888 HH TYR A 58 -2.156 10.847 -26.796 1.00 1.00 H +ATOM 889 N ARG A 59 -0.729 5.082 -21.406 1.00 1.00 N +ATOM 890 CA ARG A 59 0.325 4.440 -20.638 1.00 1.00 C +ATOM 891 C ARG A 59 1.361 5.474 -20.191 1.00 1.00 C +ATOM 892 O ARG A 59 1.654 6.419 -20.922 1.00 1.00 O +ATOM 893 CB ARG A 59 1.020 3.353 -21.458 1.00 1.00 C +ATOM 894 CG ARG A 59 0.879 1.985 -20.788 1.00 1.00 C +ATOM 895 CD ARG A 59 1.032 0.856 -21.809 1.00 1.00 C +ATOM 896 NE ARG A 59 1.498 -0.376 -21.134 1.00 1.00 N +ATOM 897 CZ ARG A 59 2.785 -0.663 -20.897 1.00 1.00 C +ATOM 898 NH1 ARG A 59 3.743 0.194 -21.278 1.00 1.00 N +ATOM 899 NH2 ARG A 59 3.114 -1.805 -20.279 1.00 1.00 N +ATOM 900 H ARG A 59 -0.674 4.945 -22.395 1.00 1.00 H +ATOM 901 HA ARG A 59 -0.184 4.000 -19.780 1.00 1.00 H +ATOM 902 HB2 ARG A 59 0.591 3.317 -22.460 1.00 1.00 H +ATOM 903 HB3 ARG A 59 2.076 3.599 -21.573 1.00 1.00 H +ATOM 904 HG2 ARG A 59 1.632 1.879 -20.007 1.00 1.00 H +ATOM 905 HG3 ARG A 59 -0.095 1.913 -20.304 1.00 1.00 H +ATOM 906 HD2 ARG A 59 0.079 0.671 -22.306 1.00 1.00 H +ATOM 907 HD3 ARG A 59 1.743 1.147 -22.583 1.00 1.00 H +ATOM 908 HE ARG A 59 0.808 -1.038 -20.838 1.00 1.00 H +ATOM 909 HH11 ARG A 59 3.496 1.045 -21.739 1.00 1.00 H +ATOM 910 HH12 ARG A 59 4.703 -0.020 -21.101 1.00 1.00 H +ATOM 911 HH21 ARG A 59 2.399 -2.445 -19.994 1.00 1.00 H +ATOM 912 HH22 ARG A 59 4.075 -2.018 -20.102 1.00 1.00 H +ATOM 913 N ILE A 60 1.884 5.260 -18.994 1.00 1.00 N +ATOM 914 CA ILE A 60 2.882 6.161 -18.441 1.00 1.00 C +ATOM 915 C ILE A 60 4.188 6.012 -19.224 1.00 1.00 C +ATOM 916 O ILE A 60 4.504 4.927 -19.708 1.00 1.00 O +ATOM 917 CB ILE A 60 3.036 5.931 -16.936 1.00 1.00 C +ATOM 918 CG1 ILE A 60 1.675 5.941 -16.237 1.00 1.00 C +ATOM 919 CG2 ILE A 60 4.003 6.945 -16.323 1.00 1.00 C +ATOM 920 CD1 ILE A 60 1.193 7.373 -15.995 1.00 1.00 C +ATOM 921 H ILE A 60 1.640 4.489 -18.405 1.00 1.00 H +ATOM 922 HA ILE A 60 2.513 7.178 -18.575 1.00 1.00 H +ATOM 923 HB ILE A 60 3.470 4.943 -16.785 1.00 1.00 H +ATOM 924 HG12 ILE A 60 0.946 5.405 -16.845 1.00 1.00 H +ATOM 925 HG13 ILE A 60 1.747 5.412 -15.286 1.00 1.00 H +ATOM 926 HG21 ILE A 60 4.212 7.732 -17.048 1.00 1.00 H +ATOM 927 HG22 ILE A 60 3.554 7.384 -15.431 1.00 1.00 H +ATOM 928 HG23 ILE A 60 4.933 6.446 -16.053 1.00 1.00 H +ATOM 929 HD11 ILE A 60 1.944 8.075 -16.358 1.00 1.00 H +ATOM 930 HD12 ILE A 60 0.257 7.535 -16.529 1.00 1.00 H +ATOM 931 HD13 ILE A 60 1.036 7.528 -14.928 1.00 1.00 H +ATOM 932 N ASN A 61 4.911 7.118 -19.322 1.00 1.00 N +ATOM 933 CA ASN A 61 6.176 7.123 -20.037 1.00 1.00 C +ATOM 934 C ASN A 61 7.317 7.350 -19.045 1.00 1.00 C +ATOM 935 O ASN A 61 7.305 8.321 -18.291 1.00 1.00 O +ATOM 936 CB ASN A 61 6.219 8.250 -21.073 1.00 1.00 C +ATOM 937 CG ASN A 61 7.611 8.372 -21.692 1.00 1.00 C +ATOM 938 OD1 ASN A 61 8.464 7.512 -21.544 1.00 1.00 O +ATOM 939 ND2 ASN A 61 7.795 9.486 -22.395 1.00 1.00 N +ATOM 940 H ASN A 61 4.646 7.996 -18.924 1.00 1.00 H +ATOM 941 HA ASN A 61 6.233 6.150 -20.524 1.00 1.00 H +ATOM 942 HB2 ASN A 61 5.483 8.058 -21.854 1.00 1.00 H +ATOM 943 HB3 ASN A 61 5.943 9.193 -20.600 1.00 1.00 H +ATOM 944 HD21 ASN A 61 7.053 10.152 -22.479 1.00 1.00 H +ATOM 945 HD22 ASN A 61 8.674 9.659 -22.839 1.00 1.00 H +ATOM 946 N THR A 62 8.278 6.437 -19.077 1.00 1.00 N +ATOM 947 CA THR A 62 9.425 6.526 -18.188 1.00 1.00 C +ATOM 948 C THR A 62 10.690 6.852 -18.984 1.00 1.00 C +ATOM 949 O THR A 62 10.805 6.486 -20.152 1.00 1.00 O +ATOM 950 CB THR A 62 9.518 5.214 -17.407 1.00 1.00 C +ATOM 951 OG1 THR A 62 8.244 5.089 -16.781 1.00 1.00 O +ATOM 952 CG2 THR A 62 10.501 5.300 -16.237 1.00 1.00 C +ATOM 953 H THR A 62 8.279 5.650 -19.694 1.00 1.00 H +ATOM 954 HA THR A 62 9.260 7.351 -17.497 1.00 1.00 H +ATOM 955 HB THR A 62 9.770 4.384 -18.067 1.00 1.00 H +ATOM 956 HG1 THR A 62 8.269 4.362 -16.097 1.00 1.00 H +ATOM 957 HG21 THR A 62 10.716 6.345 -16.019 1.00 1.00 H +ATOM 958 HG22 THR A 62 10.061 4.828 -15.359 1.00 1.00 H +ATOM 959 HG23 THR A 62 11.425 4.785 -16.501 1.00 1.00 H +ATOM 960 N ALA A 63 11.608 7.536 -18.318 1.00 1.00 N +ATOM 961 CA ALA A 63 12.862 7.915 -18.948 1.00 1.00 C +ATOM 962 C ALA A 63 13.845 6.746 -18.862 1.00 1.00 C +ATOM 963 O ALA A 63 15.042 6.921 -19.082 1.00 1.00 O +ATOM 964 CB ALA A 63 13.403 9.184 -18.286 1.00 1.00 C +ATOM 965 H ALA A 63 11.507 7.831 -17.368 1.00 1.00 H +ATOM 966 HA ALA A 63 12.655 8.129 -19.997 1.00 1.00 H +ATOM 967 HB1 ALA A 63 12.702 9.523 -17.523 1.00 1.00 H +ATOM 968 HB2 ALA A 63 14.367 8.969 -17.823 1.00 1.00 H +ATOM 969 HB3 ALA A 63 13.526 9.963 -19.038 1.00 1.00 H +ATOM 970 N SER A 64 13.302 5.581 -18.540 1.00 1.00 N +ATOM 971 CA SER A 64 14.117 4.384 -18.421 1.00 1.00 C +ATOM 972 C SER A 64 14.715 4.294 -17.015 1.00 1.00 C +ATOM 973 O SER A 64 14.807 3.208 -16.444 1.00 1.00 O +ATOM 974 CB SER A 64 15.230 4.369 -19.472 1.00 1.00 C +ATOM 975 OG SER A 64 15.564 3.044 -19.877 1.00 1.00 O +ATOM 976 H SER A 64 12.328 5.448 -18.362 1.00 1.00 H +ATOM 977 HA SER A 64 13.438 3.554 -18.601 1.00 1.00 H +ATOM 978 HB2 SER A 64 14.915 4.945 -20.342 1.00 1.00 H +ATOM 979 HB3 SER A 64 16.116 4.859 -19.069 1.00 1.00 H +ATOM 980 HG SER A 64 16.499 3.020 -20.229 1.00 1.00 H +ATOM 981 N ASP A 65 15.105 5.451 -16.497 1.00 1.00 N +ATOM 982 CA ASP A 65 15.689 5.517 -15.169 1.00 1.00 C +ATOM 983 C ASP A 65 14.622 5.172 -14.129 1.00 1.00 C +ATOM 984 O ASP A 65 14.801 4.254 -13.331 1.00 1.00 O +ATOM 985 CB ASP A 65 16.211 6.922 -14.866 1.00 1.00 C +ATOM 986 CG ASP A 65 15.391 8.061 -15.476 1.00 1.00 C +ATOM 987 OD1 ASP A 65 14.214 8.189 -15.078 1.00 1.00 O +ATOM 988 OD2 ASP A 65 15.961 8.778 -16.327 1.00 1.00 O +ATOM 989 H ASP A 65 15.027 6.329 -16.969 1.00 1.00 H +ATOM 990 HA ASP A 65 16.508 4.796 -15.181 1.00 1.00 H +ATOM 991 HB2 ASP A 65 16.242 7.056 -13.785 1.00 1.00 H +ATOM 992 HB3 ASP A 65 17.237 7.000 -15.227 1.00 1.00 H +ATOM 993 N GLY A 66 13.536 5.929 -14.171 1.00 1.00 N +ATOM 994 CA GLY A 66 12.439 5.716 -13.242 1.00 1.00 C +ATOM 995 C GLY A 66 11.446 6.878 -13.291 1.00 1.00 C +ATOM 996 O GLY A 66 10.240 6.675 -13.156 1.00 1.00 O +ATOM 997 H GLY A 66 13.398 6.674 -14.823 1.00 1.00 H +ATOM 998 HA2 GLY A 66 11.927 4.784 -13.485 1.00 1.00 H +ATOM 999 HA3 GLY A 66 12.831 5.609 -12.230 1.00 1.00 H +ATOM 1000 N LYS A 67 11.988 8.071 -13.484 1.00 1.00 N +ATOM 1001 CA LYS A 67 11.164 9.266 -13.552 1.00 1.00 C +ATOM 1002 C LYS A 67 10.076 9.071 -14.610 1.00 1.00 C +ATOM 1003 O LYS A 67 10.312 8.438 -15.638 1.00 1.00 O +ATOM 1004 CB LYS A 67 12.033 10.503 -13.785 1.00 1.00 C +ATOM 1005 CG LYS A 67 13.227 10.523 -12.827 1.00 1.00 C +ATOM 1006 CD LYS A 67 14.143 11.714 -13.118 1.00 1.00 C +ATOM 1007 CE LYS A 67 13.515 13.021 -12.628 1.00 1.00 C +ATOM 1008 NZ LYS A 67 14.562 14.036 -12.377 1.00 1.00 N +ATOM 1009 H LYS A 67 12.970 8.228 -13.593 1.00 1.00 H +ATOM 1010 HA LYS A 67 10.684 9.388 -12.582 1.00 1.00 H +ATOM 1011 HB2 LYS A 67 12.389 10.515 -14.815 1.00 1.00 H +ATOM 1012 HB3 LYS A 67 11.435 11.404 -13.645 1.00 1.00 H +ATOM 1013 HG2 LYS A 67 12.872 10.576 -11.799 1.00 1.00 H +ATOM 1014 HG3 LYS A 67 13.790 9.595 -12.924 1.00 1.00 H +ATOM 1015 HD2 LYS A 67 15.106 11.563 -12.630 1.00 1.00 H +ATOM 1016 HD3 LYS A 67 14.335 11.777 -14.188 1.00 1.00 H +ATOM 1017 HE2 LYS A 67 12.811 13.392 -13.372 1.00 1.00 H +ATOM 1018 HE3 LYS A 67 12.949 12.840 -11.715 1.00 1.00 H +ATOM 1019 HZ1 LYS A 67 15.396 13.786 -12.871 1.00 1.00 H +ATOM 1020 HZ2 LYS A 67 14.244 14.928 -12.694 1.00 1.00 H +ATOM 1021 HZ3 LYS A 67 14.756 14.079 -11.397 1.00 1.00 H +ATOM 1022 N LEU A 68 8.909 9.627 -14.322 1.00 1.00 N +ATOM 1023 CA LEU A 68 7.784 9.521 -15.237 1.00 1.00 C +ATOM 1024 C LEU A 68 7.620 10.843 -15.990 1.00 1.00 C +ATOM 1025 O LEU A 68 7.268 11.860 -15.395 1.00 1.00 O +ATOM 1026 CB LEU A 68 6.526 9.079 -14.488 1.00 1.00 C +ATOM 1027 CG LEU A 68 6.700 7.914 -13.512 1.00 1.00 C +ATOM 1028 CD1 LEU A 68 5.563 7.882 -12.489 1.00 1.00 C +ATOM 1029 CD2 LEU A 68 6.837 6.586 -14.259 1.00 1.00 C +ATOM 1030 H LEU A 68 8.726 10.140 -13.485 1.00 1.00 H +ATOM 1031 HA LEU A 68 8.021 8.740 -15.959 1.00 1.00 H +ATOM 1032 HB2 LEU A 68 6.135 9.934 -13.938 1.00 1.00 H +ATOM 1033 HB3 LEU A 68 5.769 8.801 -15.222 1.00 1.00 H +ATOM 1034 HG LEU A 68 7.626 8.068 -12.957 1.00 1.00 H +ATOM 1035 HD11 LEU A 68 4.774 8.566 -12.801 1.00 1.00 H +ATOM 1036 HD12 LEU A 68 5.161 6.869 -12.425 1.00 1.00 H +ATOM 1037 HD13 LEU A 68 5.942 8.184 -11.513 1.00 1.00 H +ATOM 1038 HD21 LEU A 68 6.796 6.769 -15.334 1.00 1.00 H +ATOM 1039 HD22 LEU A 68 7.790 6.123 -14.006 1.00 1.00 H +ATOM 1040 HD23 LEU A 68 6.022 5.922 -13.972 1.00 1.00 H +ATOM 1041 N TYR A 69 7.882 10.783 -17.287 1.00 1.00 N +ATOM 1042 CA TYR A 69 7.767 11.962 -18.128 1.00 1.00 C +ATOM 1043 C TYR A 69 6.987 11.651 -19.407 1.00 1.00 C +ATOM 1044 O TYR A 69 7.518 11.029 -20.326 1.00 1.00 O +ATOM 1045 CB TYR A 69 9.197 12.356 -18.501 1.00 1.00 C +ATOM 1046 CG TYR A 69 9.746 11.623 -19.727 1.00 1.00 C +ATOM 1047 CD1 TYR A 69 10.066 10.284 -19.641 1.00 1.00 C +ATOM 1048 CD2 TYR A 69 9.920 12.300 -20.915 1.00 1.00 C +ATOM 1049 CE1 TYR A 69 10.583 9.592 -20.796 1.00 1.00 C +ATOM 1050 CE2 TYR A 69 10.435 11.610 -22.069 1.00 1.00 C +ATOM 1051 CZ TYR A 69 10.741 10.291 -21.951 1.00 1.00 C +ATOM 1052 OH TYR A 69 11.229 9.638 -23.041 1.00 1.00 O +ATOM 1053 H TYR A 69 8.167 9.951 -17.764 1.00 1.00 H +ATOM 1054 HA TYR A 69 7.233 12.728 -17.563 1.00 1.00 H +ATOM 1055 HB2 TYR A 69 9.232 13.429 -18.687 1.00 1.00 H +ATOM 1056 HB3 TYR A 69 9.851 12.161 -17.650 1.00 1.00 H +ATOM 1057 HD1 TYR A 69 9.929 9.747 -18.702 1.00 1.00 H +ATOM 1058 HD2 TYR A 69 9.666 13.359 -20.983 1.00 1.00 H +ATOM 1059 HE1 TYR A 69 10.839 8.534 -20.743 1.00 1.00 H +ATOM 1060 HE2 TYR A 69 10.578 12.133 -23.015 1.00 1.00 H +ATOM 1061 HH TYR A 69 12.060 9.138 -22.798 1.00 1.00 H +ATOM 1062 N VAL A 70 5.740 12.097 -19.425 1.00 1.00 N +ATOM 1063 CA VAL A 70 4.882 11.873 -20.576 1.00 1.00 C +ATOM 1064 C VAL A 70 5.384 12.711 -21.753 1.00 1.00 C +ATOM 1065 O VAL A 70 4.982 12.491 -22.894 1.00 1.00 O +ATOM 1066 CB VAL A 70 3.426 12.170 -20.210 1.00 1.00 C +ATOM 1067 CG1 VAL A 70 2.475 11.706 -21.315 1.00 1.00 C +ATOM 1068 CG2 VAL A 70 3.058 11.534 -18.868 1.00 1.00 C +ATOM 1069 H VAL A 70 5.315 12.601 -18.674 1.00 1.00 H +ATOM 1070 HA VAL A 70 4.954 10.818 -20.840 1.00 1.00 H +ATOM 1071 HB VAL A 70 3.320 13.251 -20.108 1.00 1.00 H +ATOM 1072 HG11 VAL A 70 2.862 12.025 -22.283 1.00 1.00 H +ATOM 1073 HG12 VAL A 70 2.400 10.620 -21.295 1.00 1.00 H +ATOM 1074 HG13 VAL A 70 1.490 12.144 -21.155 1.00 1.00 H +ATOM 1075 HG21 VAL A 70 3.840 10.836 -18.570 1.00 1.00 H +ATOM 1076 HG22 VAL A 70 2.959 12.313 -18.111 1.00 1.00 H +ATOM 1077 HG23 VAL A 70 2.112 11.002 -18.966 1.00 1.00 H +ATOM 1078 N SER A 71 6.257 13.656 -21.435 1.00 1.00 N +ATOM 1079 CA SER A 71 6.820 14.529 -22.452 1.00 1.00 C +ATOM 1080 C SER A 71 8.259 14.898 -22.086 1.00 1.00 C +ATOM 1081 O SER A 71 8.544 15.242 -20.940 1.00 1.00 O +ATOM 1082 CB SER A 71 5.974 15.792 -22.622 1.00 1.00 C +ATOM 1083 OG SER A 71 6.103 16.349 -23.927 1.00 1.00 O +ATOM 1084 H SER A 71 6.580 13.828 -20.504 1.00 1.00 H +ATOM 1085 HA SER A 71 6.797 13.949 -23.374 1.00 1.00 H +ATOM 1086 HB2 SER A 71 4.928 15.557 -22.431 1.00 1.00 H +ATOM 1087 HB3 SER A 71 6.275 16.533 -21.880 1.00 1.00 H +ATOM 1088 HG SER A 71 7.012 16.152 -24.295 1.00 1.00 H +ATOM 1089 N SER A 72 9.129 14.814 -23.082 1.00 1.00 N +ATOM 1090 CA SER A 72 10.531 15.136 -22.879 1.00 1.00 C +ATOM 1091 C SER A 72 10.669 16.557 -22.333 1.00 1.00 C +ATOM 1092 O SER A 72 11.746 16.957 -21.893 1.00 1.00 O +ATOM 1093 CB SER A 72 11.323 14.990 -24.182 1.00 1.00 C +ATOM 1094 OG SER A 72 12.303 13.960 -24.096 1.00 1.00 O +ATOM 1095 H SER A 72 8.889 14.535 -24.012 1.00 1.00 H +ATOM 1096 HA SER A 72 10.892 14.409 -22.152 1.00 1.00 H +ATOM 1097 HB2 SER A 72 10.637 14.770 -25.000 1.00 1.00 H +ATOM 1098 HB3 SER A 72 11.810 15.936 -24.417 1.00 1.00 H +ATOM 1099 HG SER A 72 12.526 13.624 -25.011 1.00 1.00 H +ATOM 1100 N GLU A 73 9.562 17.284 -22.375 1.00 1.00 N +ATOM 1101 CA GLU A 73 9.545 18.653 -21.889 1.00 1.00 C +ATOM 1102 C GLU A 73 9.020 18.700 -20.452 1.00 1.00 C +ATOM 1103 O GLU A 73 9.205 19.694 -19.752 1.00 1.00 O +ATOM 1104 CB GLU A 73 8.711 19.551 -22.806 1.00 1.00 C +ATOM 1105 CG GLU A 73 7.731 18.724 -23.639 1.00 1.00 C +ATOM 1106 CD GLU A 73 6.801 19.629 -24.452 1.00 1.00 C +ATOM 1107 OE1 GLU A 73 7.266 20.116 -25.506 1.00 1.00 O +ATOM 1108 OE2 GLU A 73 5.651 19.813 -24.001 1.00 1.00 O +ATOM 1109 H GLU A 73 8.689 16.953 -22.734 1.00 1.00 H +ATOM 1110 HA GLU A 73 10.583 18.983 -21.915 1.00 1.00 H +ATOM 1111 HB2 GLU A 73 8.162 20.278 -22.207 1.00 1.00 H +ATOM 1112 HB3 GLU A 73 9.370 20.114 -23.467 1.00 1.00 H +ATOM 1113 HG2 GLU A 73 8.282 18.066 -24.310 1.00 1.00 H +ATOM 1114 HG3 GLU A 73 7.137 18.085 -22.982 1.00 1.00 H +ATOM 1115 N SER A 74 8.378 17.611 -20.055 1.00 1.00 N +ATOM 1116 CA SER A 74 7.827 17.515 -18.714 1.00 1.00 C +ATOM 1117 C SER A 74 8.128 16.138 -18.121 1.00 1.00 C +ATOM 1118 O SER A 74 7.655 15.122 -18.627 1.00 1.00 O +ATOM 1119 CB SER A 74 6.317 17.770 -18.720 1.00 1.00 C +ATOM 1120 OG SER A 74 5.981 18.966 -19.419 1.00 1.00 O +ATOM 1121 H SER A 74 8.232 16.806 -20.630 1.00 1.00 H +ATOM 1122 HA SER A 74 8.324 18.298 -18.141 1.00 1.00 H +ATOM 1123 HB2 SER A 74 5.808 16.925 -19.183 1.00 1.00 H +ATOM 1124 HB3 SER A 74 5.957 17.837 -17.694 1.00 1.00 H +ATOM 1125 HG SER A 74 6.812 19.434 -19.717 1.00 1.00 H +ATOM 1126 N ARG A 75 8.917 16.148 -17.057 1.00 1.00 N +ATOM 1127 CA ARG A 75 9.291 14.912 -16.390 1.00 1.00 C +ATOM 1128 C ARG A 75 8.953 14.991 -14.899 1.00 1.00 C +ATOM 1129 O ARG A 75 9.065 16.054 -14.289 1.00 1.00 O +ATOM 1130 CB ARG A 75 10.784 14.626 -16.552 1.00 1.00 C +ATOM 1131 CG ARG A 75 11.441 15.650 -17.481 1.00 1.00 C +ATOM 1132 CD ARG A 75 12.742 15.103 -18.069 1.00 1.00 C +ATOM 1133 NE ARG A 75 13.644 16.220 -18.428 1.00 1.00 N +ATOM 1134 CZ ARG A 75 14.975 16.103 -18.538 1.00 1.00 C +ATOM 1135 NH1 ARG A 75 15.565 14.920 -18.319 1.00 1.00 N +ATOM 1136 NH2 ARG A 75 15.716 17.170 -18.867 1.00 1.00 N +ATOM 1137 H ARG A 75 9.300 16.979 -16.652 1.00 1.00 H +ATOM 1138 HA ARG A 75 8.701 14.141 -16.883 1.00 1.00 H +ATOM 1139 HB2 ARG A 75 11.271 14.650 -15.577 1.00 1.00 H +ATOM 1140 HB3 ARG A 75 10.924 13.623 -16.955 1.00 1.00 H +ATOM 1141 HG2 ARG A 75 10.753 15.910 -18.287 1.00 1.00 H +ATOM 1142 HG3 ARG A 75 11.644 16.568 -16.929 1.00 1.00 H +ATOM 1143 HD2 ARG A 75 13.228 14.447 -17.348 1.00 1.00 H +ATOM 1144 HD3 ARG A 75 12.526 14.500 -18.953 1.00 1.00 H +ATOM 1145 HE ARG A 75 13.237 17.117 -18.598 1.00 1.00 H +ATOM 1146 HH11 ARG A 75 15.012 14.123 -18.073 1.00 1.00 H +ATOM 1147 HH12 ARG A 75 16.558 14.834 -18.402 1.00 1.00 H +ATOM 1148 HH21 ARG A 75 15.275 18.053 -19.032 1.00 1.00 H +ATOM 1149 HH22 ARG A 75 16.709 17.084 -18.951 1.00 1.00 H +ATOM 1150 N PHE A 76 8.545 13.854 -14.356 1.00 1.00 N +ATOM 1151 CA PHE A 76 8.192 13.781 -12.949 1.00 1.00 C +ATOM 1152 C PHE A 76 8.747 12.508 -12.307 1.00 1.00 C +ATOM 1153 O PHE A 76 9.277 11.641 -13.001 1.00 1.00 O +ATOM 1154 CB PHE A 76 6.665 13.751 -12.872 1.00 1.00 C +ATOM 1155 CG PHE A 76 5.981 14.909 -13.604 1.00 1.00 C +ATOM 1156 CD1 PHE A 76 5.966 16.150 -13.049 1.00 1.00 C +ATOM 1157 CD2 PHE A 76 5.389 14.697 -14.810 1.00 1.00 C +ATOM 1158 CE1 PHE A 76 5.334 17.225 -13.727 1.00 1.00 C +ATOM 1159 CE2 PHE A 76 4.756 15.770 -15.488 1.00 1.00 C +ATOM 1160 CZ PHE A 76 4.742 17.012 -14.932 1.00 1.00 C +ATOM 1161 H PHE A 76 8.456 12.995 -14.858 1.00 1.00 H +ATOM 1162 HA PHE A 76 8.628 14.653 -12.459 1.00 1.00 H +ATOM 1163 HB2 PHE A 76 6.308 12.810 -13.291 1.00 1.00 H +ATOM 1164 HB3 PHE A 76 6.361 13.769 -11.825 1.00 1.00 H +ATOM 1165 HD1 PHE A 76 6.442 16.320 -12.082 1.00 1.00 H +ATOM 1166 HD2 PHE A 76 5.401 13.701 -15.255 1.00 1.00 H +ATOM 1167 HE1 PHE A 76 5.322 18.219 -13.282 1.00 1.00 H +ATOM 1168 HE2 PHE A 76 4.281 15.600 -16.454 1.00 1.00 H +ATOM 1169 HZ PHE A 76 4.254 17.837 -15.454 1.00 1.00 H +ATOM 1170 N ASN A 77 8.609 12.436 -10.992 1.00 1.00 N +ATOM 1171 CA ASN A 77 9.091 11.284 -10.251 1.00 1.00 C +ATOM 1172 C ASN A 77 7.911 10.600 -9.555 1.00 1.00 C +ATOM 1173 O ASN A 77 7.936 9.392 -9.324 1.00 1.00 O +ATOM 1174 CB ASN A 77 10.096 11.701 -9.175 1.00 1.00 C +ATOM 1175 CG ASN A 77 11.355 12.300 -9.805 1.00 1.00 C +ATOM 1176 OD1 ASN A 77 12.366 11.640 -9.981 1.00 1.00 O +ATOM 1177 ND2 ASN A 77 11.238 13.584 -10.132 1.00 1.00 N +ATOM 1178 H ASN A 77 8.178 13.146 -10.436 1.00 1.00 H +ATOM 1179 HA ASN A 77 9.565 10.643 -10.994 1.00 1.00 H +ATOM 1180 HB2 ASN A 77 9.637 12.430 -8.508 1.00 1.00 H +ATOM 1181 HB3 ASN A 77 10.364 10.837 -8.568 1.00 1.00 H +ATOM 1182 HD21 ASN A 77 10.380 14.068 -9.960 1.00 1.00 H +ATOM 1183 HD22 ASN A 77 12.008 14.066 -10.550 1.00 1.00 H +ATOM 1184 N THR A 78 6.905 11.404 -9.240 1.00 1.00 N +ATOM 1185 CA THR A 78 5.718 10.891 -8.577 1.00 1.00 C +ATOM 1186 C THR A 78 4.514 10.950 -9.518 1.00 1.00 C +ATOM 1187 O THR A 78 4.320 11.938 -10.223 1.00 1.00 O +ATOM 1188 CB THR A 78 5.519 11.686 -7.285 1.00 1.00 C +ATOM 1189 OG1 THR A 78 6.343 11.017 -6.334 1.00 1.00 O +ATOM 1190 CG2 THR A 78 4.105 11.541 -6.719 1.00 1.00 C +ATOM 1191 H THR A 78 6.892 12.385 -9.432 1.00 1.00 H +ATOM 1192 HA THR A 78 5.886 9.841 -8.335 1.00 1.00 H +ATOM 1193 HB THR A 78 5.775 12.736 -7.431 1.00 1.00 H +ATOM 1194 HG1 THR A 78 7.213 10.760 -6.756 1.00 1.00 H +ATOM 1195 HG21 THR A 78 3.384 11.559 -7.536 1.00 1.00 H +ATOM 1196 HG22 THR A 78 4.023 10.595 -6.184 1.00 1.00 H +ATOM 1197 HG23 THR A 78 3.901 12.365 -6.036 1.00 1.00 H +ATOM 1198 N LEU A 79 3.735 9.877 -9.498 1.00 1.00 N +ATOM 1199 CA LEU A 79 2.554 9.793 -10.341 1.00 1.00 C +ATOM 1200 C LEU A 79 1.715 11.061 -10.161 1.00 1.00 C +ATOM 1201 O LEU A 79 1.404 11.747 -11.133 1.00 1.00 O +ATOM 1202 CB LEU A 79 1.786 8.502 -10.060 1.00 1.00 C +ATOM 1203 CG LEU A 79 1.705 8.075 -8.593 1.00 1.00 C +ATOM 1204 CD1 LEU A 79 0.251 7.871 -8.159 1.00 1.00 C +ATOM 1205 CD2 LEU A 79 2.559 6.831 -8.334 1.00 1.00 C +ATOM 1206 H LEU A 79 3.900 9.077 -8.920 1.00 1.00 H +ATOM 1207 HA LEU A 79 2.894 9.749 -11.374 1.00 1.00 H +ATOM 1208 HB2 LEU A 79 0.771 8.616 -10.440 1.00 1.00 H +ATOM 1209 HB3 LEU A 79 2.251 7.695 -10.627 1.00 1.00 H +ATOM 1210 HG LEU A 79 2.113 8.878 -7.980 1.00 1.00 H +ATOM 1211 HD11 LEU A 79 -0.269 7.273 -8.906 1.00 1.00 H +ATOM 1212 HD12 LEU A 79 0.227 7.356 -7.200 1.00 1.00 H +ATOM 1213 HD13 LEU A 79 -0.238 8.841 -8.064 1.00 1.00 H +ATOM 1214 HD21 LEU A 79 3.501 6.920 -8.876 1.00 1.00 H +ATOM 1215 HD22 LEU A 79 2.760 6.743 -7.267 1.00 1.00 H +ATOM 1216 HD23 LEU A 79 2.024 5.946 -8.679 1.00 1.00 H +ATOM 1217 N ALA A 80 1.370 11.332 -8.910 1.00 1.00 N +ATOM 1218 CA ALA A 80 0.573 12.504 -8.592 1.00 1.00 C +ATOM 1219 C ALA A 80 1.171 13.727 -9.288 1.00 1.00 C +ATOM 1220 O ALA A 80 0.486 14.409 -10.050 1.00 1.00 O +ATOM 1221 CB ALA A 80 0.501 12.674 -7.072 1.00 1.00 C +ATOM 1222 H ALA A 80 1.627 10.768 -8.126 1.00 1.00 H +ATOM 1223 HA ALA A 80 -0.434 12.334 -8.973 1.00 1.00 H +ATOM 1224 HB1 ALA A 80 0.858 11.765 -6.588 1.00 1.00 H +ATOM 1225 HB2 ALA A 80 1.125 13.515 -6.772 1.00 1.00 H +ATOM 1226 HB3 ALA A 80 -0.531 12.863 -6.776 1.00 1.00 H +ATOM 1227 N GLU A 81 2.442 13.969 -9.002 1.00 1.00 N +ATOM 1228 CA GLU A 81 3.139 15.099 -9.592 1.00 1.00 C +ATOM 1229 C GLU A 81 2.828 15.194 -11.087 1.00 1.00 C +ATOM 1230 O GLU A 81 2.519 16.270 -11.593 1.00 1.00 O +ATOM 1231 CB GLU A 81 4.647 15.000 -9.350 1.00 1.00 C +ATOM 1232 CG GLU A 81 5.099 16.002 -8.288 1.00 1.00 C +ATOM 1233 CD GLU A 81 4.957 17.439 -8.794 1.00 1.00 C +ATOM 1234 OE1 GLU A 81 3.798 17.899 -8.875 1.00 1.00 O +ATOM 1235 OE2 GLU A 81 6.011 18.044 -9.087 1.00 1.00 O +ATOM 1236 H GLU A 81 2.992 13.410 -8.381 1.00 1.00 H +ATOM 1237 HA GLU A 81 2.753 15.979 -9.078 1.00 1.00 H +ATOM 1238 HB2 GLU A 81 4.902 13.988 -9.033 1.00 1.00 H +ATOM 1239 HB3 GLU A 81 5.181 15.185 -10.282 1.00 1.00 H +ATOM 1240 HG2 GLU A 81 4.506 15.871 -7.383 1.00 1.00 H +ATOM 1241 HG3 GLU A 81 6.137 15.808 -8.019 1.00 1.00 H +ATOM 1242 N LEU A 82 2.923 14.050 -11.752 1.00 1.00 N +ATOM 1243 CA LEU A 82 2.655 13.991 -13.178 1.00 1.00 C +ATOM 1244 C LEU A 82 1.232 14.485 -13.447 1.00 1.00 C +ATOM 1245 O LEU A 82 1.029 15.405 -14.239 1.00 1.00 O +ATOM 1246 CB LEU A 82 2.931 12.586 -13.716 1.00 1.00 C +ATOM 1247 CG LEU A 82 2.369 12.278 -15.106 1.00 1.00 C +ATOM 1248 CD1 LEU A 82 3.145 11.140 -15.772 1.00 1.00 C +ATOM 1249 CD2 LEU A 82 0.869 11.984 -15.039 1.00 1.00 C +ATOM 1250 H LEU A 82 3.175 13.180 -11.332 1.00 1.00 H +ATOM 1251 HA LEU A 82 3.354 14.668 -13.670 1.00 1.00 H +ATOM 1252 HB2 LEU A 82 4.010 12.432 -13.740 1.00 1.00 H +ATOM 1253 HB3 LEU A 82 2.522 11.862 -13.013 1.00 1.00 H +ATOM 1254 HG LEU A 82 2.496 13.163 -15.731 1.00 1.00 H +ATOM 1255 HD11 LEU A 82 3.273 10.322 -15.063 1.00 1.00 H +ATOM 1256 HD12 LEU A 82 2.594 10.783 -16.641 1.00 1.00 H +ATOM 1257 HD13 LEU A 82 4.124 11.503 -16.086 1.00 1.00 H +ATOM 1258 HD21 LEU A 82 0.629 11.541 -14.072 1.00 1.00 H +ATOM 1259 HD22 LEU A 82 0.312 12.914 -15.160 1.00 1.00 H +ATOM 1260 HD23 LEU A 82 0.598 11.292 -15.836 1.00 1.00 H +ATOM 1261 N VAL A 83 0.283 13.850 -12.775 1.00 1.00 N +ATOM 1262 CA VAL A 83 -1.115 14.213 -12.931 1.00 1.00 C +ATOM 1263 C VAL A 83 -1.303 15.682 -12.544 1.00 1.00 C +ATOM 1264 O VAL A 83 -2.054 16.407 -13.194 1.00 1.00 O +ATOM 1265 CB VAL A 83 -1.997 13.263 -12.118 1.00 1.00 C +ATOM 1266 CG1 VAL A 83 -2.683 14.001 -10.967 1.00 1.00 C +ATOM 1267 CG2 VAL A 83 -3.024 12.567 -13.013 1.00 1.00 C +ATOM 1268 H VAL A 83 0.457 13.102 -12.134 1.00 1.00 H +ATOM 1269 HA VAL A 83 -1.371 14.092 -13.984 1.00 1.00 H +ATOM 1270 HB VAL A 83 -1.354 12.496 -11.688 1.00 1.00 H +ATOM 1271 HG11 VAL A 83 -3.041 14.969 -11.320 1.00 1.00 H +ATOM 1272 HG12 VAL A 83 -3.526 13.411 -10.608 1.00 1.00 H +ATOM 1273 HG13 VAL A 83 -1.972 14.151 -10.156 1.00 1.00 H +ATOM 1274 HG21 VAL A 83 -3.366 13.260 -13.780 1.00 1.00 H +ATOM 1275 HG22 VAL A 83 -2.565 11.698 -13.485 1.00 1.00 H +ATOM 1276 HG23 VAL A 83 -3.873 12.245 -12.410 1.00 1.00 H +ATOM 1277 N HIS A 84 -0.606 16.076 -11.488 1.00 1.00 N +ATOM 1278 CA HIS A 84 -0.687 17.444 -11.008 1.00 1.00 C +ATOM 1279 C HIS A 84 -0.511 18.412 -12.180 1.00 1.00 C +ATOM 1280 O HIS A 84 -1.329 19.309 -12.377 1.00 1.00 O +ATOM 1281 CB HIS A 84 0.321 17.685 -9.882 1.00 1.00 C +ATOM 1282 CG HIS A 84 -0.302 18.147 -8.588 1.00 1.00 C +ATOM 1283 ND1 HIS A 84 0.441 18.404 -7.448 1.00 1.00 N +ATOM 1284 CD2 HIS A 84 -1.603 18.397 -8.264 1.00 1.00 C +ATOM 1285 CE1 HIS A 84 -0.386 18.790 -6.487 1.00 1.00 C +ATOM 1286 NE2 HIS A 84 -1.653 18.784 -6.994 1.00 1.00 N +ATOM 1287 H HIS A 84 0.003 15.479 -10.966 1.00 1.00 H +ATOM 1288 HA HIS A 84 -1.686 17.571 -10.590 1.00 1.00 H +ATOM 1289 HB2 HIS A 84 0.873 16.762 -9.700 1.00 1.00 H +ATOM 1290 HB3 HIS A 84 1.046 18.430 -10.211 1.00 1.00 H +ATOM 1291 HD1 HIS A 84 1.433 18.314 -7.363 1.00 1.00 H +ATOM 1292 HD2 HIS A 84 -2.456 18.297 -8.933 1.00 1.00 H +ATOM 1293 HE1 HIS A 84 -0.104 19.062 -5.470 1.00 1.00 H +ATOM 1294 N HIS A 85 0.562 18.196 -12.926 1.00 1.00 N +ATOM 1295 CA HIS A 85 0.856 19.038 -14.074 1.00 1.00 C +ATOM 1296 C HIS A 85 -0.135 18.736 -15.199 1.00 1.00 C +ATOM 1297 O HIS A 85 -0.607 19.647 -15.877 1.00 1.00 O +ATOM 1298 CB HIS A 85 2.314 18.874 -14.507 1.00 1.00 C +ATOM 1299 CG HIS A 85 2.639 19.530 -15.828 1.00 1.00 C +ATOM 1300 ND1 HIS A 85 2.515 20.892 -16.040 1.00 1.00 N +ATOM 1301 CD2 HIS A 85 3.086 18.998 -17.003 1.00 1.00 C +ATOM 1302 CE1 HIS A 85 2.872 21.156 -17.288 1.00 1.00 C +ATOM 1303 NE2 HIS A 85 3.225 19.980 -17.882 1.00 1.00 N +ATOM 1304 H HIS A 85 1.222 17.464 -12.758 1.00 1.00 H +ATOM 1305 HA HIS A 85 0.720 20.069 -13.748 1.00 1.00 H +ATOM 1306 HB2 HIS A 85 2.961 19.293 -13.736 1.00 1.00 H +ATOM 1307 HB3 HIS A 85 2.546 17.811 -14.574 1.00 1.00 H +ATOM 1308 HD1 HIS A 85 2.208 21.564 -15.364 1.00 1.00 H +ATOM 1309 HD2 HIS A 85 3.292 17.944 -17.186 1.00 1.00 H +ATOM 1310 HE1 HIS A 85 2.883 22.141 -17.756 1.00 1.00 H +ATOM 1311 N HIS A 86 -0.421 17.453 -15.364 1.00 1.00 N +ATOM 1312 CA HIS A 86 -1.348 17.019 -16.396 1.00 1.00 C +ATOM 1313 C HIS A 86 -2.784 17.294 -15.944 1.00 1.00 C +ATOM 1314 O HIS A 86 -3.735 16.888 -16.610 1.00 1.00 O +ATOM 1315 CB HIS A 86 -1.111 15.551 -16.756 1.00 1.00 C +ATOM 1316 CG HIS A 86 0.182 15.302 -17.498 1.00 1.00 C +ATOM 1317 ND1 HIS A 86 0.818 16.278 -18.245 1.00 1.00 N +ATOM 1318 CD2 HIS A 86 0.950 14.180 -17.597 1.00 1.00 C +ATOM 1319 CE1 HIS A 86 1.918 15.756 -18.768 1.00 1.00 C +ATOM 1320 NE2 HIS A 86 1.997 14.455 -18.365 1.00 1.00 N +ATOM 1321 H HIS A 86 -0.034 16.718 -14.807 1.00 1.00 H +ATOM 1322 HA HIS A 86 -1.133 17.617 -17.281 1.00 1.00 H +ATOM 1323 HB2 HIS A 86 -1.114 14.957 -15.843 1.00 1.00 H +ATOM 1324 HB3 HIS A 86 -1.941 15.199 -17.368 1.00 1.00 H +ATOM 1325 HD1 HIS A 86 0.500 17.218 -18.370 1.00 1.00 H +ATOM 1326 HD2 HIS A 86 0.740 13.220 -17.126 1.00 1.00 H +ATOM 1327 HE1 HIS A 86 2.632 16.274 -19.406 1.00 1.00 H +ATOM 1328 N SER A 87 -2.895 17.980 -14.816 1.00 1.00 N +ATOM 1329 CA SER A 87 -4.198 18.314 -14.270 1.00 1.00 C +ATOM 1330 C SER A 87 -4.634 19.696 -14.761 1.00 1.00 C +ATOM 1331 O SER A 87 -5.827 19.991 -14.814 1.00 1.00 O +ATOM 1332 CB SER A 87 -4.180 18.276 -12.740 1.00 1.00 C +ATOM 1333 OG SER A 87 -5.464 18.541 -12.183 1.00 1.00 O +ATOM 1334 H SER A 87 -2.116 18.307 -14.282 1.00 1.00 H +ATOM 1335 HA SER A 87 -4.874 17.545 -14.642 1.00 1.00 H +ATOM 1336 HB2 SER A 87 -3.834 17.297 -12.405 1.00 1.00 H +ATOM 1337 HB3 SER A 87 -3.465 19.010 -12.368 1.00 1.00 H +ATOM 1338 HG SER A 87 -5.834 19.389 -12.563 1.00 1.00 H +ATOM 1339 N THR A 88 -3.644 20.505 -15.106 1.00 1.00 N +ATOM 1340 CA THR A 88 -3.910 21.848 -15.591 1.00 1.00 C +ATOM 1341 C THR A 88 -3.311 22.041 -16.987 1.00 1.00 C +ATOM 1342 O THR A 88 -3.897 22.717 -17.830 1.00 1.00 O +ATOM 1343 CB THR A 88 -3.373 22.840 -14.558 1.00 1.00 C +ATOM 1344 OG1 THR A 88 -1.993 22.505 -14.441 1.00 1.00 O +ATOM 1345 CG2 THR A 88 -3.936 22.589 -13.157 1.00 1.00 C +ATOM 1346 H THR A 88 -2.677 20.256 -15.060 1.00 1.00 H +ATOM 1347 HA THR A 88 -4.989 21.971 -15.687 1.00 1.00 H +ATOM 1348 HB THR A 88 -3.554 23.868 -14.872 1.00 1.00 H +ATOM 1349 HG1 THR A 88 -1.780 22.257 -13.496 1.00 1.00 H +ATOM 1350 HG21 THR A 88 -4.029 21.516 -12.990 1.00 1.00 H +ATOM 1351 HG22 THR A 88 -3.265 23.017 -12.413 1.00 1.00 H +ATOM 1352 HG23 THR A 88 -4.918 23.056 -13.071 1.00 1.00 H +ATOM 1353 N VAL A 89 -2.150 21.433 -17.185 1.00 1.00 N +ATOM 1354 CA VAL A 89 -1.466 21.530 -18.463 1.00 1.00 C +ATOM 1355 C VAL A 89 -1.028 20.132 -18.909 1.00 1.00 C +ATOM 1356 O VAL A 89 0.113 19.733 -18.679 1.00 1.00 O +ATOM 1357 CB VAL A 89 -0.302 22.516 -18.360 1.00 1.00 C +ATOM 1358 CG1 VAL A 89 0.599 22.433 -19.595 1.00 1.00 C +ATOM 1359 CG2 VAL A 89 -0.811 23.944 -18.149 1.00 1.00 C +ATOM 1360 H VAL A 89 -1.680 20.885 -16.494 1.00 1.00 H +ATOM 1361 HA VAL A 89 -2.178 21.921 -19.189 1.00 1.00 H +ATOM 1362 HB VAL A 89 0.296 22.242 -17.492 1.00 1.00 H +ATOM 1363 HG11 VAL A 89 0.268 21.613 -20.230 1.00 1.00 H +ATOM 1364 HG12 VAL A 89 0.542 23.369 -20.150 1.00 1.00 H +ATOM 1365 HG13 VAL A 89 1.628 22.257 -19.282 1.00 1.00 H +ATOM 1366 HG21 VAL A 89 -1.658 23.929 -17.463 1.00 1.00 H +ATOM 1367 HG22 VAL A 89 -0.013 24.555 -17.727 1.00 1.00 H +ATOM 1368 HG23 VAL A 89 -1.124 24.363 -19.104 1.00 1.00 H +ATOM 1369 N ALA A 90 -1.958 19.427 -19.536 1.00 1.00 N +ATOM 1370 CA ALA A 90 -1.682 18.084 -20.015 1.00 1.00 C +ATOM 1371 C ALA A 90 -0.670 18.153 -21.162 1.00 1.00 C +ATOM 1372 O ALA A 90 -1.024 17.934 -22.319 1.00 1.00 O +ATOM 1373 CB ALA A 90 -2.990 17.410 -20.432 1.00 1.00 C +ATOM 1374 H ALA A 90 -2.883 19.759 -19.719 1.00 1.00 H +ATOM 1375 HA ALA A 90 -1.243 17.521 -19.189 1.00 1.00 H +ATOM 1376 HB1 ALA A 90 -3.825 17.896 -19.926 1.00 1.00 H +ATOM 1377 HB2 ALA A 90 -3.117 17.499 -21.510 1.00 1.00 H +ATOM 1378 HB3 ALA A 90 -2.962 16.356 -20.155 1.00 1.00 H +ATOM 1379 N ASP A 91 0.568 18.459 -20.800 1.00 1.00 N +ATOM 1380 CA ASP A 91 1.631 18.559 -21.784 1.00 1.00 C +ATOM 1381 C ASP A 91 1.937 17.168 -22.343 1.00 1.00 C +ATOM 1382 O ASP A 91 2.657 17.037 -23.332 1.00 1.00 O +ATOM 1383 CB ASP A 91 2.915 19.108 -21.153 1.00 1.00 C +ATOM 1384 CG ASP A 91 3.805 18.059 -20.485 1.00 1.00 C +ATOM 1385 OD1 ASP A 91 4.426 17.278 -21.239 1.00 1.00 O +ATOM 1386 OD2 ASP A 91 3.846 18.062 -19.236 1.00 1.00 O +ATOM 1387 H ASP A 91 0.847 18.635 -19.855 1.00 1.00 H +ATOM 1388 HA ASP A 91 1.254 19.242 -22.545 1.00 1.00 H +ATOM 1389 HB2 ASP A 91 3.492 19.614 -21.927 1.00 1.00 H +ATOM 1390 HB3 ASP A 91 2.644 19.860 -20.413 1.00 1.00 H +ATOM 1391 N GLY A 92 1.373 16.165 -21.686 1.00 1.00 N +ATOM 1392 CA GLY A 92 1.576 14.788 -22.106 1.00 1.00 C +ATOM 1393 C GLY A 92 0.243 14.118 -22.448 1.00 1.00 C +ATOM 1394 O GLY A 92 -0.023 13.815 -23.610 1.00 1.00 O +ATOM 1395 H GLY A 92 0.789 16.279 -20.882 1.00 1.00 H +ATOM 1396 HA2 GLY A 92 2.234 14.762 -22.974 1.00 1.00 H +ATOM 1397 HA3 GLY A 92 2.075 14.232 -21.312 1.00 1.00 H +ATOM 1398 N LEU A 93 -0.556 13.904 -21.413 1.00 1.00 N +ATOM 1399 CA LEU A 93 -1.854 13.276 -21.590 1.00 1.00 C +ATOM 1400 C LEU A 93 -2.785 14.233 -22.338 1.00 1.00 C +ATOM 1401 O LEU A 93 -2.776 15.437 -22.083 1.00 1.00 O +ATOM 1402 CB LEU A 93 -2.409 12.804 -20.244 1.00 1.00 C +ATOM 1403 CG LEU A 93 -1.483 12.981 -19.038 1.00 1.00 C +ATOM 1404 CD1 LEU A 93 -2.203 12.624 -17.737 1.00 1.00 C +ATOM 1405 CD2 LEU A 93 -0.192 12.179 -19.217 1.00 1.00 C +ATOM 1406 H LEU A 93 -0.333 14.153 -20.472 1.00 1.00 H +ATOM 1407 HA LEU A 93 -1.706 12.388 -22.205 1.00 1.00 H +ATOM 1408 HB2 LEU A 93 -3.337 13.344 -20.048 1.00 1.00 H +ATOM 1409 HB3 LEU A 93 -2.666 11.748 -20.328 1.00 1.00 H +ATOM 1410 HG LEU A 93 -1.204 14.033 -18.974 1.00 1.00 H +ATOM 1411 HD11 LEU A 93 -2.766 11.700 -17.874 1.00 1.00 H +ATOM 1412 HD12 LEU A 93 -1.472 12.490 -16.941 1.00 1.00 H +ATOM 1413 HD13 LEU A 93 -2.888 13.429 -17.469 1.00 1.00 H +ATOM 1414 HD21 LEU A 93 -0.325 11.453 -20.018 1.00 1.00 H +ATOM 1415 HD22 LEU A 93 0.624 12.856 -19.471 1.00 1.00 H +ATOM 1416 HD23 LEU A 93 0.043 11.658 -18.289 1.00 1.00 H +ATOM 1417 N ILE A 94 -3.563 13.663 -23.246 1.00 1.00 N +ATOM 1418 CA ILE A 94 -4.496 14.452 -24.031 1.00 1.00 C +ATOM 1419 C ILE A 94 -5.353 15.305 -23.094 1.00 1.00 C +ATOM 1420 O ILE A 94 -5.058 16.479 -22.872 1.00 1.00 O +ATOM 1421 CB ILE A 94 -5.313 13.549 -24.958 1.00 1.00 C +ATOM 1422 CG1 ILE A 94 -6.645 14.204 -25.329 1.00 1.00 C +ATOM 1423 CG2 ILE A 94 -5.508 12.162 -24.342 1.00 1.00 C +ATOM 1424 CD1 ILE A 94 -7.211 13.604 -26.617 1.00 1.00 C +ATOM 1425 H ILE A 94 -3.564 12.684 -23.446 1.00 1.00 H +ATOM 1426 HA ILE A 94 -3.910 15.119 -24.664 1.00 1.00 H +ATOM 1427 HB ILE A 94 -4.753 13.414 -25.884 1.00 1.00 H +ATOM 1428 HG12 ILE A 94 -7.358 14.070 -24.516 1.00 1.00 H +ATOM 1429 HG13 ILE A 94 -6.504 15.278 -25.454 1.00 1.00 H +ATOM 1430 HG21 ILE A 94 -5.576 12.253 -23.258 1.00 1.00 H +ATOM 1431 HG22 ILE A 94 -6.425 11.719 -24.728 1.00 1.00 H +ATOM 1432 HG23 ILE A 94 -4.661 11.528 -24.599 1.00 1.00 H +ATOM 1433 HD11 ILE A 94 -6.538 12.829 -26.984 1.00 1.00 H +ATOM 1434 HD12 ILE A 94 -8.191 13.169 -26.415 1.00 1.00 H +ATOM 1435 HD13 ILE A 94 -7.310 14.386 -27.369 1.00 1.00 H +ATOM 1436 N THR A 95 -6.397 14.682 -22.566 1.00 1.00 N +ATOM 1437 CA THR A 95 -7.299 15.369 -21.657 1.00 1.00 C +ATOM 1438 C THR A 95 -6.659 15.504 -20.274 1.00 1.00 C +ATOM 1439 O THR A 95 -5.680 14.825 -19.969 1.00 1.00 O +ATOM 1440 CB THR A 95 -8.625 14.608 -21.642 1.00 1.00 C +ATOM 1441 OG1 THR A 95 -9.415 15.306 -20.682 1.00 1.00 O +ATOM 1442 CG2 THR A 95 -8.487 13.201 -21.057 1.00 1.00 C +ATOM 1443 H THR A 95 -6.630 13.727 -22.750 1.00 1.00 H +ATOM 1444 HA THR A 95 -7.462 16.378 -22.033 1.00 1.00 H +ATOM 1445 HB THR A 95 -9.066 14.574 -22.638 1.00 1.00 H +ATOM 1446 HG1 THR A 95 -9.432 16.281 -20.899 1.00 1.00 H +ATOM 1447 HG21 THR A 95 -7.607 12.716 -21.482 1.00 1.00 H +ATOM 1448 HG22 THR A 95 -8.377 13.266 -19.974 1.00 1.00 H +ATOM 1449 HG23 THR A 95 -9.375 12.618 -21.298 1.00 1.00 H +ATOM 1450 N THR A 96 -7.238 16.387 -19.473 1.00 1.00 N +ATOM 1451 CA THR A 96 -6.738 16.620 -18.128 1.00 1.00 C +ATOM 1452 C THR A 96 -7.717 16.065 -17.092 1.00 1.00 C +ATOM 1453 O THR A 96 -8.875 16.477 -17.044 1.00 1.00 O +ATOM 1454 CB THR A 96 -6.475 18.119 -17.976 1.00 1.00 C +ATOM 1455 OG1 THR A 96 -7.676 18.625 -17.401 1.00 1.00 O +ATOM 1456 CG2 THR A 96 -6.375 18.836 -19.323 1.00 1.00 C +ATOM 1457 H THR A 96 -8.034 16.935 -19.728 1.00 1.00 H +ATOM 1458 HA THR A 96 -5.803 16.072 -18.011 1.00 1.00 H +ATOM 1459 HB THR A 96 -5.585 18.298 -17.372 1.00 1.00 H +ATOM 1460 HG1 THR A 96 -7.934 19.483 -17.847 1.00 1.00 H +ATOM 1461 HG21 THR A 96 -5.775 18.238 -20.010 1.00 1.00 H +ATOM 1462 HG22 THR A 96 -7.374 18.973 -19.737 1.00 1.00 H +ATOM 1463 HG23 THR A 96 -5.904 19.809 -19.183 1.00 1.00 H +ATOM 1464 N LEU A 97 -7.214 15.140 -16.286 1.00 1.00 N +ATOM 1465 CA LEU A 97 -8.029 14.527 -15.252 1.00 1.00 C +ATOM 1466 C LEU A 97 -9.039 15.549 -14.730 1.00 1.00 C +ATOM 1467 O LEU A 97 -8.681 16.689 -14.438 1.00 1.00 O +ATOM 1468 CB LEU A 97 -7.145 13.923 -14.161 1.00 1.00 C +ATOM 1469 CG LEU A 97 -6.056 14.839 -13.597 1.00 1.00 C +ATOM 1470 CD1 LEU A 97 -5.638 14.395 -12.193 1.00 1.00 C +ATOM 1471 CD2 LEU A 97 -4.863 14.923 -14.550 1.00 1.00 C +ATOM 1472 H LEU A 97 -6.270 14.812 -16.331 1.00 1.00 H +ATOM 1473 HA LEU A 97 -8.578 13.705 -15.715 1.00 1.00 H +ATOM 1474 HB2 LEU A 97 -7.785 13.603 -13.337 1.00 1.00 H +ATOM 1475 HB3 LEU A 97 -6.668 13.027 -14.560 1.00 1.00 H +ATOM 1476 HG LEU A 97 -6.469 15.844 -13.506 1.00 1.00 H +ATOM 1477 HD11 LEU A 97 -6.208 13.509 -11.907 1.00 1.00 H +ATOM 1478 HD12 LEU A 97 -4.575 14.159 -12.189 1.00 1.00 H +ATOM 1479 HD13 LEU A 97 -5.837 15.197 -11.483 1.00 1.00 H +ATOM 1480 HD21 LEU A 97 -4.739 13.970 -15.063 1.00 1.00 H +ATOM 1481 HD22 LEU A 97 -5.039 15.711 -15.283 1.00 1.00 H +ATOM 1482 HD23 LEU A 97 -3.960 15.150 -13.983 1.00 1.00 H +ATOM 1483 N HIS A 98 -10.285 15.106 -14.627 1.00 1.00 N +ATOM 1484 CA HIS A 98 -11.349 15.968 -14.144 1.00 1.00 C +ATOM 1485 C HIS A 98 -12.275 15.175 -13.221 1.00 1.00 C +ATOM 1486 O HIS A 98 -13.494 15.328 -13.276 1.00 1.00 O +ATOM 1487 CB HIS A 98 -12.093 16.620 -15.312 1.00 1.00 C +ATOM 1488 CG HIS A 98 -12.991 17.763 -14.908 1.00 1.00 C +ATOM 1489 ND1 HIS A 98 -12.639 19.091 -15.085 1.00 1.00 N +ATOM 1490 CD2 HIS A 98 -14.229 17.766 -14.335 1.00 1.00 C +ATOM 1491 CE1 HIS A 98 -13.628 19.849 -14.635 1.00 1.00 C +ATOM 1492 NE2 HIS A 98 -14.611 19.026 -14.169 1.00 1.00 N +ATOM 1493 H HIS A 98 -10.569 14.178 -14.866 1.00 1.00 H +ATOM 1494 HA HIS A 98 -10.872 16.763 -13.571 1.00 1.00 H +ATOM 1495 HB2 HIS A 98 -11.364 16.982 -16.038 1.00 1.00 H +ATOM 1496 HB3 HIS A 98 -12.693 15.861 -15.815 1.00 1.00 H +ATOM 1497 HD1 HIS A 98 -11.784 19.421 -15.485 1.00 1.00 H +ATOM 1498 HD2 HIS A 98 -14.804 16.884 -14.060 1.00 1.00 H +ATOM 1499 HE1 HIS A 98 -13.651 20.938 -14.635 1.00 1.00 H +ATOM 1500 N TYR A 99 -11.660 14.343 -12.392 1.00 1.00 N +ATOM 1501 CA TYR A 99 -12.414 13.525 -11.459 1.00 1.00 C +ATOM 1502 C TYR A 99 -11.635 13.319 -10.157 1.00 1.00 C +ATOM 1503 O TYR A 99 -11.507 12.193 -9.678 1.00 1.00 O +ATOM 1504 CB TYR A 99 -12.606 12.170 -12.143 1.00 1.00 C +ATOM 1505 CG TYR A 99 -14.055 11.678 -12.155 1.00 1.00 C +ATOM 1506 CD1 TYR A 99 -15.076 12.548 -12.480 1.00 1.00 C +ATOM 1507 CD2 TYR A 99 -14.340 10.366 -11.840 1.00 1.00 C +ATOM 1508 CE1 TYR A 99 -16.440 12.086 -12.490 1.00 1.00 C +ATOM 1509 CE2 TYR A 99 -15.703 9.904 -11.850 1.00 1.00 C +ATOM 1510 CZ TYR A 99 -16.686 10.785 -12.175 1.00 1.00 C +ATOM 1511 OH TYR A 99 -17.974 10.347 -12.184 1.00 1.00 O +ATOM 1512 H TYR A 99 -10.667 14.225 -12.354 1.00 1.00 H +ATOM 1513 HA TYR A 99 -13.348 14.040 -11.235 1.00 1.00 H +ATOM 1514 HB2 TYR A 99 -12.249 12.241 -13.172 1.00 1.00 H +ATOM 1515 HB3 TYR A 99 -11.985 11.428 -11.641 1.00 1.00 H +ATOM 1516 HD1 TYR A 99 -14.850 13.584 -12.729 1.00 1.00 H +ATOM 1517 HD2 TYR A 99 -13.534 9.679 -11.582 1.00 1.00 H +ATOM 1518 HE1 TYR A 99 -17.255 12.762 -12.745 1.00 1.00 H +ATOM 1519 HE2 TYR A 99 -15.942 8.869 -11.603 1.00 1.00 H +ATOM 1520 HH TYR A 99 -18.017 9.421 -12.557 1.00 1.00 H +ATOM 1521 N PRO A 100 -11.121 14.451 -9.610 1.00 1.00 N +ATOM 1522 CA PRO A 100 -10.357 14.406 -8.373 1.00 1.00 C +ATOM 1523 C PRO A 100 -11.277 14.199 -7.169 1.00 1.00 C +ATOM 1524 O PRO A 100 -11.067 14.796 -6.114 1.00 1.00 O +ATOM 1525 CB PRO A 100 -9.605 15.727 -8.328 1.00 1.00 C +ATOM 1526 CG PRO A 100 -10.327 16.650 -9.294 1.00 1.00 C +ATOM 1527 CD PRO A 100 -11.251 15.802 -10.150 1.00 1.00 C +ATOM 1528 HA PRO A 100 -9.734 13.624 -8.379 1.00 1.00 H +ATOM 1529 HB2 PRO A 100 -9.603 16.139 -7.318 1.00 1.00 H +ATOM 1530 HB3 PRO A 100 -8.564 15.592 -8.619 1.00 1.00 H +ATOM 1531 HG2 PRO A 100 -10.895 17.404 -8.750 1.00 1.00 H +ATOM 1532 HG3 PRO A 100 -9.610 17.184 -9.919 1.00 1.00 H +ATOM 1533 HD2 PRO A 100 -12.281 16.154 -10.089 1.00 1.00 H +ATOM 1534 HD3 PRO A 100 -10.964 15.838 -11.201 1.00 1.00 H +ATOM 1535 N ALA A 101 -12.276 13.350 -7.366 1.00 1.00 N +ATOM 1536 CA ALA A 101 -13.227 13.057 -6.308 1.00 1.00 C +ATOM 1537 C ALA A 101 -12.600 12.072 -5.322 1.00 1.00 C +ATOM 1538 O ALA A 101 -12.335 10.923 -5.671 1.00 1.00 O +ATOM 1539 CB ALA A 101 -14.523 12.524 -6.920 1.00 1.00 C +ATOM 1540 H ALA A 101 -12.438 12.868 -8.226 1.00 1.00 H +ATOM 1541 HA ALA A 101 -13.444 13.992 -5.789 1.00 1.00 H +ATOM 1542 HB1 ALA A 101 -14.733 13.057 -7.849 1.00 1.00 H +ATOM 1543 HB2 ALA A 101 -14.415 11.460 -7.131 1.00 1.00 H +ATOM 1544 HB3 ALA A 101 -15.345 12.676 -6.222 1.00 1.00 H +ATOM 1545 N PRO A 102 -12.375 12.570 -4.076 1.00 1.00 N +ATOM 1546 CA PRO A 102 -11.782 11.744 -3.036 1.00 1.00 C +ATOM 1547 C PRO A 102 -12.798 10.740 -2.488 1.00 1.00 C +ATOM 1548 O PRO A 102 -13.740 11.120 -1.795 1.00 1.00 O +ATOM 1549 CB PRO A 102 -11.294 12.727 -1.985 1.00 1.00 C +ATOM 1550 CG PRO A 102 -12.038 14.026 -2.250 1.00 1.00 C +ATOM 1551 CD PRO A 102 -12.676 13.925 -3.626 1.00 1.00 C +ATOM 1552 HA PRO A 102 -11.032 11.198 -3.411 1.00 1.00 H +ATOM 1553 HB2 PRO A 102 -11.497 12.357 -0.981 1.00 1.00 H +ATOM 1554 HB3 PRO A 102 -10.216 12.872 -2.058 1.00 1.00 H +ATOM 1555 HG2 PRO A 102 -12.799 14.191 -1.488 1.00 1.00 H +ATOM 1556 HG3 PRO A 102 -11.354 14.873 -2.207 1.00 1.00 H +ATOM 1557 HD2 PRO A 102 -13.751 14.096 -3.578 1.00 1.00 H +ATOM 1558 HD3 PRO A 102 -12.264 14.668 -4.308 1.00 1.00 H +ATOM 1559 N LYS A 103 -12.573 9.477 -2.821 1.00 1.00 N +ATOM 1560 CA LYS A 103 -13.456 8.415 -2.371 1.00 1.00 C +ATOM 1561 C LYS A 103 -12.859 7.754 -1.128 1.00 1.00 C +ATOM 1562 O LYS A 103 -11.657 7.850 -0.884 1.00 1.00 O +ATOM 1563 CB LYS A 103 -13.740 7.436 -3.511 1.00 1.00 C +ATOM 1564 CG LYS A 103 -12.455 6.749 -3.979 1.00 1.00 C +ATOM 1565 CD LYS A 103 -12.282 5.389 -3.299 1.00 1.00 C +ATOM 1566 CE LYS A 103 -11.259 5.469 -2.165 1.00 1.00 C +ATOM 1567 NZ LYS A 103 -10.514 4.196 -2.050 1.00 1.00 N +ATOM 1568 H LYS A 103 -11.803 9.177 -3.384 1.00 1.00 H +ATOM 1569 HA LYS A 103 -14.405 8.874 -2.097 1.00 1.00 H +ATOM 1570 HB2 LYS A 103 -14.458 6.686 -3.182 1.00 1.00 H +ATOM 1571 HB3 LYS A 103 -14.197 7.968 -4.347 1.00 1.00 H +ATOM 1572 HG2 LYS A 103 -12.481 6.619 -5.060 1.00 1.00 H +ATOM 1573 HG3 LYS A 103 -11.598 7.383 -3.754 1.00 1.00 H +ATOM 1574 HD2 LYS A 103 -13.242 5.051 -2.905 1.00 1.00 H +ATOM 1575 HD3 LYS A 103 -11.961 4.651 -4.033 1.00 1.00 H +ATOM 1576 HE2 LYS A 103 -10.565 6.288 -2.351 1.00 1.00 H +ATOM 1577 HE3 LYS A 103 -11.765 5.687 -1.224 1.00 1.00 H +ATOM 1578 HZ1 LYS A 103 -11.059 3.454 -2.441 1.00 1.00 H +ATOM 1579 HZ2 LYS A 103 -9.648 4.270 -2.544 1.00 1.00 H +ATOM 1580 HZ3 LYS A 103 -10.331 4.003 -1.085 1.00 1.00 H +ATOM 1581 N ARG A 104 -13.727 7.096 -0.372 1.00 1.00 N +ATOM 1582 CA ARG A 104 -13.301 6.419 0.841 1.00 1.00 C +ATOM 1583 C ARG A 104 -13.115 4.923 0.576 1.00 1.00 C +ATOM 1584 O ARG A 104 -12.031 4.383 0.786 1.00 1.00 O +ATOM 1585 CB ARG A 104 -14.322 6.608 1.965 1.00 1.00 C +ATOM 1586 CG ARG A 104 -13.833 7.640 2.982 1.00 1.00 C +ATOM 1587 CD ARG A 104 -14.638 8.937 2.876 1.00 1.00 C +ATOM 1588 NE ARG A 104 -15.943 8.780 3.556 1.00 1.00 N +ATOM 1589 CZ ARG A 104 -16.885 9.732 3.604 1.00 1.00 C +ATOM 1590 NH1 ARG A 104 -16.672 10.915 3.013 1.00 1.00 N +ATOM 1591 NH2 ARG A 104 -18.040 9.501 4.243 1.00 1.00 N +ATOM 1592 H ARG A 104 -14.703 7.023 -0.577 1.00 1.00 H +ATOM 1593 HA ARG A 104 -12.355 6.891 1.106 1.00 1.00 H +ATOM 1594 HB2 ARG A 104 -15.275 6.928 1.545 1.00 1.00 H +ATOM 1595 HB3 ARG A 104 -14.498 5.655 2.465 1.00 1.00 H +ATOM 1596 HG2 ARG A 104 -13.922 7.236 3.989 1.00 1.00 H +ATOM 1597 HG3 ARG A 104 -12.777 7.850 2.814 1.00 1.00 H +ATOM 1598 HD2 ARG A 104 -14.081 9.759 3.326 1.00 1.00 H +ATOM 1599 HD3 ARG A 104 -14.794 9.196 1.828 1.00 1.00 H +ATOM 1600 HE ARG A 104 -16.134 7.908 4.008 1.00 1.00 H +ATOM 1601 HH11 ARG A 104 -15.811 11.089 2.535 1.00 1.00 H +ATOM 1602 HH12 ARG A 104 -17.375 11.626 3.048 1.00 1.00 H +ATOM 1603 HH21 ARG A 104 -18.198 8.619 4.686 1.00 1.00 H +ATOM 1604 HH22 ARG A 104 -18.742 10.211 4.281 1.00 1.00 H +ATOM 1605 N GLY A 105 -14.190 4.298 0.119 1.00 1.00 N +ATOM 1606 CA GLY A 105 -14.159 2.875 -0.177 1.00 1.00 C +ATOM 1607 C GLY A 105 -15.280 2.491 -1.144 1.00 1.00 C +ATOM 1608 O GLY A 105 -15.586 3.237 -2.074 1.00 1.00 O +ATOM 1609 H GLY A 105 -15.068 4.745 -0.050 1.00 1.00 H +ATOM 1610 HA2 GLY A 105 -13.194 2.612 -0.610 1.00 1.00 H +ATOM 1611 HA3 GLY A 105 -14.259 2.306 0.747 1.00 1.00 H +ATOM 1612 N ILE A 106 -15.864 1.330 -0.890 1.00 1.00 N +ATOM 1613 CA ILE A 106 -16.946 0.838 -1.727 1.00 1.00 C +ATOM 1614 C ILE A 106 -18.230 0.762 -0.900 1.00 1.00 C +ATOM 1615 O ILE A 106 -18.339 -0.057 0.012 1.00 1.00 O +ATOM 1616 CB ILE A 106 -16.556 -0.490 -2.381 1.00 1.00 C +ATOM 1617 CG1 ILE A 106 -17.479 -0.813 -3.558 1.00 1.00 C +ATOM 1618 CG2 ILE A 106 -16.523 -1.619 -1.351 1.00 1.00 C +ATOM 1619 CD1 ILE A 106 -17.145 0.055 -4.772 1.00 1.00 C +ATOM 1620 H ILE A 106 -15.610 0.729 -0.132 1.00 1.00 H +ATOM 1621 HA ILE A 106 -17.093 1.561 -2.529 1.00 1.00 H +ATOM 1622 HB ILE A 106 -15.548 -0.390 -2.782 1.00 1.00 H +ATOM 1623 HG12 ILE A 106 -17.383 -1.866 -3.822 1.00 1.00 H +ATOM 1624 HG13 ILE A 106 -18.517 -0.652 -3.266 1.00 1.00 H +ATOM 1625 HG21 ILE A 106 -15.940 -1.305 -0.485 1.00 1.00 H +ATOM 1626 HG22 ILE A 106 -17.542 -1.857 -1.037 1.00 1.00 H +ATOM 1627 HG23 ILE A 106 -16.067 -2.503 -1.796 1.00 1.00 H +ATOM 1628 HD11 ILE A 106 -16.368 0.770 -4.505 1.00 1.00 H +ATOM 1629 HD12 ILE A 106 -16.792 -0.577 -5.586 1.00 1.00 H +ATOM 1630 HD13 ILE A 106 -18.038 0.593 -5.091 1.00 1.00 H +ATOM 1631 N HIS A 107 -19.173 1.626 -1.247 1.00 1.00 N +ATOM 1632 CA HIS A 107 -20.445 1.668 -0.549 1.00 1.00 C +ATOM 1633 C HIS A 107 -21.194 0.352 -0.770 1.00 1.00 C +ATOM 1634 O HIS A 107 -21.463 -0.381 0.181 1.00 1.00 O +ATOM 1635 CB HIS A 107 -21.258 2.893 -0.971 1.00 1.00 C +ATOM 1636 CG HIS A 107 -21.341 3.086 -2.468 1.00 1.00 C +ATOM 1637 ND1 HIS A 107 -22.473 2.783 -3.201 1.00 1.00 N +ATOM 1638 CD2 HIS A 107 -20.421 3.560 -3.357 1.00 1.00 C +ATOM 1639 CE1 HIS A 107 -22.234 3.061 -4.474 1.00 1.00 C +ATOM 1640 NE2 HIS A 107 -20.962 3.544 -4.568 1.00 1.00 N +ATOM 1641 H HIS A 107 -19.076 2.289 -1.990 1.00 1.00 H +ATOM 1642 HA HIS A 107 -20.216 1.771 0.512 1.00 1.00 H +ATOM 1643 HB2 HIS A 107 -22.269 2.801 -0.572 1.00 1.00 H +ATOM 1644 HB3 HIS A 107 -20.817 3.783 -0.523 1.00 1.00 H +ATOM 1645 HD1 HIS A 107 -23.327 2.413 -2.835 1.00 1.00 H +ATOM 1646 HD2 HIS A 107 -19.413 3.896 -3.112 1.00 1.00 H +ATOM 1647 HE1 HIS A 107 -22.933 2.930 -5.302 1.00 1.00 H +ATOM 1648 N ARG A 108 -21.512 0.094 -2.031 1.00 1.00 N +ATOM 1649 CA ARG A 108 -22.225 -1.120 -2.388 1.00 1.00 C +ATOM 1650 C ARG A 108 -23.696 -1.011 -1.982 1.00 1.00 C +ATOM 1651 O ARG A 108 -24.588 -1.141 -2.819 1.00 1.00 O +ATOM 1652 CB ARG A 108 -21.605 -2.344 -1.710 1.00 1.00 C +ATOM 1653 CG ARG A 108 -21.664 -3.566 -2.627 1.00 1.00 C +ATOM 1654 CD ARG A 108 -20.279 -3.898 -3.188 1.00 1.00 C +ATOM 1655 NE ARG A 108 -19.428 -4.478 -2.124 1.00 1.00 N +ATOM 1656 CZ ARG A 108 -19.640 -5.677 -1.563 1.00 1.00 C +ATOM 1657 NH1 ARG A 108 -20.673 -6.430 -1.962 1.00 1.00 N +ATOM 1658 NH2 ARG A 108 -18.816 -6.123 -0.605 1.00 1.00 N +ATOM 1659 H ARG A 108 -21.290 0.697 -2.797 1.00 1.00 H +ATOM 1660 HA ARG A 108 -22.123 -1.195 -3.471 1.00 1.00 H +ATOM 1661 HB2 ARG A 108 -20.570 -2.131 -1.446 1.00 1.00 H +ATOM 1662 HB3 ARG A 108 -22.135 -2.556 -0.781 1.00 1.00 H +ATOM 1663 HG2 ARG A 108 -22.050 -4.423 -2.075 1.00 1.00 H +ATOM 1664 HG3 ARG A 108 -22.356 -3.378 -3.449 1.00 1.00 H +ATOM 1665 HD2 ARG A 108 -20.371 -4.602 -4.015 1.00 1.00 H +ATOM 1666 HD3 ARG A 108 -19.813 -2.997 -3.586 1.00 1.00 H +ATOM 1667 HE ARG A 108 -18.647 -3.942 -1.804 1.00 1.00 H +ATOM 1668 HH11 ARG A 108 -21.287 -6.098 -2.677 1.00 1.00 H +ATOM 1669 HH12 ARG A 108 -20.830 -7.325 -1.544 1.00 1.00 H +ATOM 1670 HH21 ARG A 108 -18.044 -5.559 -0.308 1.00 1.00 H +ATOM 1671 HH22 ARG A 108 -18.973 -7.017 -0.187 1.00 1.00 H +ATOM 1672 N ASP A 109 -23.906 -0.773 -0.695 1.00 1.00 N +ATOM 1673 CA ASP A 109 -25.253 -0.644 -0.167 1.00 1.00 C +ATOM 1674 C ASP A 109 -25.230 0.266 1.062 1.00 1.00 C +ATOM 1675 O ASP A 109 -26.327 0.718 1.455 1.00 1.00 O +ATOM 1676 CB ASP A 109 -25.808 -2.004 0.263 1.00 1.00 C +ATOM 1677 CG ASP A 109 -25.981 -3.018 -0.869 1.00 1.00 C +ATOM 1678 OD1 ASP A 109 -26.943 -2.950 -1.648 1.00 1.00 O +ATOM 1679 OD2 ASP A 109 -25.063 -3.922 -0.936 1.00 1.00 O +ATOM 1680 OXT ASP A 109 -24.168 0.529 1.624 1.00 1.00 O +ATOM 1681 H ASP A 109 -23.176 -0.668 -0.019 1.00 1.00 H +ATOM 1682 HA ASP A 109 -25.842 -0.228 -0.983 1.00 1.00 H +ATOM 1683 HB2 ASP A 109 -25.144 -2.430 1.014 1.00 1.00 H +ATOM 1684 HB3 ASP A 109 -26.774 -1.850 0.743 1.00 1.00 H +TER 1685 ASP A 109 +ENDMDL +MODEL 13 +ATOM 1 N GLY A 1 1.692 -7.977 -0.561 1.00 1.00 N +ATOM 2 CA GLY A 1 1.564 -6.536 -0.691 1.00 1.00 C +ATOM 3 C GLY A 1 0.218 -6.053 -0.146 1.00 1.00 C +ATOM 4 O GLY A 1 0.172 -5.249 0.782 1.00 1.00 O +ATOM 5 H1 GLY A 1 0.791 -8.413 -0.721 1.00 1.00 H +ATOM 6 H2 GLY A 1 2.359 -8.321 -1.245 1.00 1.00 H +ATOM 7 H3 GLY A 1 2.017 -8.205 0.371 1.00 1.00 H +ATOM 8 HA2 GLY A 1 2.374 -6.046 -0.153 1.00 1.00 H +ATOM 9 HA3 GLY A 1 1.659 -6.252 -1.739 1.00 1.00 H +ATOM 10 N SER A 2 -0.845 -6.567 -0.749 1.00 1.00 N +ATOM 11 CA SER A 2 -2.190 -6.198 -0.336 1.00 1.00 C +ATOM 12 C SER A 2 -2.253 -4.698 -0.038 1.00 1.00 C +ATOM 13 O SER A 2 -2.134 -4.285 1.114 1.00 1.00 O +ATOM 14 CB SER A 2 -2.628 -7.001 0.890 1.00 1.00 C +ATOM 15 OG SER A 2 -1.717 -6.857 1.977 1.00 1.00 O +ATOM 16 H SER A 2 -0.800 -7.221 -1.504 1.00 1.00 H +ATOM 17 HA SER A 2 -2.830 -6.448 -1.182 1.00 1.00 H +ATOM 18 HB2 SER A 2 -3.620 -6.672 1.202 1.00 1.00 H +ATOM 19 HB3 SER A 2 -2.710 -8.054 0.624 1.00 1.00 H +ATOM 20 HG SER A 2 -2.203 -6.538 2.791 1.00 1.00 H +ATOM 21 N GLY A 3 -2.440 -3.925 -1.098 1.00 1.00 N +ATOM 22 CA GLY A 3 -2.521 -2.480 -0.965 1.00 1.00 C +ATOM 23 C GLY A 3 -3.707 -2.076 -0.088 1.00 1.00 C +ATOM 24 O GLY A 3 -4.790 -2.649 -0.201 1.00 1.00 O +ATOM 25 H GLY A 3 -2.535 -4.269 -2.032 1.00 1.00 H +ATOM 26 HA2 GLY A 3 -1.596 -2.099 -0.530 1.00 1.00 H +ATOM 27 HA3 GLY A 3 -2.620 -2.027 -1.951 1.00 1.00 H +ATOM 28 N ASN A 4 -3.463 -1.093 0.765 1.00 1.00 N +ATOM 29 CA ASN A 4 -4.499 -0.605 1.660 1.00 1.00 C +ATOM 30 C ASN A 4 -4.253 0.876 1.960 1.00 1.00 C +ATOM 31 O ASN A 4 -5.133 1.710 1.749 1.00 1.00 O +ATOM 32 CB ASN A 4 -4.482 -1.364 2.988 1.00 1.00 C +ATOM 33 CG ASN A 4 -4.864 -2.832 2.785 1.00 1.00 C +ATOM 34 OD1 ASN A 4 -4.030 -3.691 2.550 1.00 1.00 O +ATOM 35 ND2 ASN A 4 -6.169 -3.070 2.889 1.00 1.00 N +ATOM 36 H ASN A 4 -2.580 -0.632 0.849 1.00 1.00 H +ATOM 37 HA ASN A 4 -5.437 -0.773 1.132 1.00 1.00 H +ATOM 38 HB2 ASN A 4 -3.488 -1.302 3.434 1.00 1.00 H +ATOM 39 HB3 ASN A 4 -5.176 -0.897 3.688 1.00 1.00 H +ATOM 40 HD21 ASN A 4 -6.801 -2.319 3.084 1.00 1.00 H +ATOM 41 HD22 ASN A 4 -6.518 -4.000 2.771 1.00 1.00 H +ATOM 42 N SER A 5 -3.052 1.157 2.445 1.00 1.00 N +ATOM 43 CA SER A 5 -2.680 2.521 2.776 1.00 1.00 C +ATOM 44 C SER A 5 -1.892 3.143 1.620 1.00 1.00 C +ATOM 45 O SER A 5 -0.663 3.106 1.612 1.00 1.00 O +ATOM 46 CB SER A 5 -1.858 2.571 4.065 1.00 1.00 C +ATOM 47 OG SER A 5 -1.410 3.891 4.363 1.00 1.00 O +ATOM 48 H SER A 5 -2.343 0.472 2.614 1.00 1.00 H +ATOM 49 HA SER A 5 -3.621 3.050 2.925 1.00 1.00 H +ATOM 50 HB2 SER A 5 -2.459 2.197 4.894 1.00 1.00 H +ATOM 51 HB3 SER A 5 -0.996 1.909 3.972 1.00 1.00 H +ATOM 52 HG SER A 5 -2.059 4.343 4.975 1.00 1.00 H +ATOM 53 N LEU A 6 -2.635 3.699 0.673 1.00 1.00 N +ATOM 54 CA LEU A 6 -2.021 4.327 -0.484 1.00 1.00 C +ATOM 55 C LEU A 6 -2.938 5.439 -1.001 1.00 1.00 C +ATOM 56 O LEU A 6 -3.187 5.535 -2.201 1.00 1.00 O +ATOM 57 CB LEU A 6 -1.673 3.278 -1.542 1.00 1.00 C +ATOM 58 CG LEU A 6 -2.817 2.367 -1.986 1.00 1.00 C +ATOM 59 CD1 LEU A 6 -2.552 1.791 -3.379 1.00 1.00 C +ATOM 60 CD2 LEU A 6 -3.077 1.269 -0.953 1.00 1.00 C +ATOM 61 H LEU A 6 -3.634 3.723 0.688 1.00 1.00 H +ATOM 62 HA LEU A 6 -1.084 4.777 -0.155 1.00 1.00 H +ATOM 63 HB2 LEU A 6 -1.281 3.792 -2.421 1.00 1.00 H +ATOM 64 HB3 LEU A 6 -0.867 2.654 -1.154 1.00 1.00 H +ATOM 65 HG LEU A 6 -3.725 2.966 -2.053 1.00 1.00 H +ATOM 66 HD11 LEU A 6 -1.478 1.683 -3.528 1.00 1.00 H +ATOM 67 HD12 LEU A 6 -3.031 0.816 -3.467 1.00 1.00 H +ATOM 68 HD13 LEU A 6 -2.957 2.464 -4.134 1.00 1.00 H +ATOM 69 HD21 LEU A 6 -2.521 1.489 -0.041 1.00 1.00 H +ATOM 70 HD22 LEU A 6 -4.143 1.228 -0.726 1.00 1.00 H +ATOM 71 HD23 LEU A 6 -2.753 0.308 -1.353 1.00 1.00 H +ATOM 72 N GLU A 7 -3.412 6.251 -0.068 1.00 1.00 N +ATOM 73 CA GLU A 7 -4.296 7.352 -0.414 1.00 1.00 C +ATOM 74 C GLU A 7 -3.498 8.491 -1.050 1.00 1.00 C +ATOM 75 O GLU A 7 -3.427 9.590 -0.499 1.00 1.00 O +ATOM 76 CB GLU A 7 -5.067 7.842 0.814 1.00 1.00 C +ATOM 77 CG GLU A 7 -6.571 7.613 0.643 1.00 1.00 C +ATOM 78 CD GLU A 7 -7.362 8.335 1.735 1.00 1.00 C +ATOM 79 OE1 GLU A 7 -6.893 8.435 2.879 1.00 1.00 O +ATOM 80 OE2 GLU A 7 -8.505 8.803 1.361 1.00 1.00 O +ATOM 81 H GLU A 7 -3.205 6.166 0.907 1.00 1.00 H +ATOM 82 HA GLU A 7 -4.999 6.944 -1.138 1.00 1.00 H +ATOM 83 HB2 GLU A 7 -4.714 7.318 1.702 1.00 1.00 H +ATOM 84 HB3 GLU A 7 -4.874 8.903 0.971 1.00 1.00 H +ATOM 85 HG2 GLU A 7 -6.888 7.968 -0.337 1.00 1.00 H +ATOM 86 HG3 GLU A 7 -6.785 6.544 0.680 1.00 1.00 H +ATOM 87 N LYS A 8 -2.916 8.193 -2.203 1.00 1.00 N +ATOM 88 CA LYS A 8 -2.127 9.179 -2.921 1.00 1.00 C +ATOM 89 C LYS A 8 -2.858 10.523 -2.903 1.00 1.00 C +ATOM 90 O LYS A 8 -2.771 11.268 -1.928 1.00 1.00 O +ATOM 91 CB LYS A 8 -1.795 8.678 -4.327 1.00 1.00 C +ATOM 92 CG LYS A 8 -1.138 9.780 -5.161 1.00 1.00 C +ATOM 93 CD LYS A 8 -0.174 10.610 -4.311 1.00 1.00 C +ATOM 94 CE LYS A 8 0.974 9.747 -3.782 1.00 1.00 C +ATOM 95 NZ LYS A 8 1.846 9.307 -4.894 1.00 1.00 N +ATOM 96 H LYS A 8 -2.978 7.298 -2.644 1.00 1.00 H +ATOM 97 HA LYS A 8 -1.182 9.292 -2.387 1.00 1.00 H +ATOM 98 HB2 LYS A 8 -1.126 7.820 -4.263 1.00 1.00 H +ATOM 99 HB3 LYS A 8 -2.704 8.337 -4.820 1.00 1.00 H +ATOM 100 HG2 LYS A 8 -0.600 9.336 -5.998 1.00 1.00 H +ATOM 101 HG3 LYS A 8 -1.906 10.429 -5.583 1.00 1.00 H +ATOM 102 HD2 LYS A 8 0.228 11.431 -4.906 1.00 1.00 H +ATOM 103 HD3 LYS A 8 -0.712 11.056 -3.474 1.00 1.00 H +ATOM 104 HE2 LYS A 8 1.558 10.312 -3.056 1.00 1.00 H +ATOM 105 HE3 LYS A 8 0.573 8.878 -3.261 1.00 1.00 H +ATOM 106 HZ1 LYS A 8 1.342 9.251 -5.773 1.00 1.00 H +ATOM 107 HZ2 LYS A 8 2.605 9.965 -5.008 1.00 1.00 H +ATOM 108 HZ3 LYS A 8 2.220 8.393 -4.686 1.00 1.00 H +ATOM 109 N HIS A 9 -3.563 10.792 -3.992 1.00 1.00 N +ATOM 110 CA HIS A 9 -4.308 12.033 -4.114 1.00 1.00 C +ATOM 111 C HIS A 9 -5.789 11.770 -3.834 1.00 1.00 C +ATOM 112 O HIS A 9 -6.180 10.642 -3.536 1.00 1.00 O +ATOM 113 CB HIS A 9 -4.070 12.678 -5.480 1.00 1.00 C +ATOM 114 CG HIS A 9 -2.710 13.321 -5.626 1.00 1.00 C +ATOM 115 ND1 HIS A 9 -1.706 13.172 -4.685 1.00 1.00 N +ATOM 116 CD2 HIS A 9 -2.201 14.115 -6.610 1.00 1.00 C +ATOM 117 CE1 HIS A 9 -0.645 13.852 -5.097 1.00 1.00 C +ATOM 118 NE2 HIS A 9 -0.955 14.436 -6.289 1.00 1.00 N +ATOM 119 H HIS A 9 -3.628 10.179 -4.780 1.00 1.00 H +ATOM 120 HA HIS A 9 -3.918 12.709 -3.353 1.00 1.00 H +ATOM 121 HB2 HIS A 9 -4.186 11.920 -6.254 1.00 1.00 H +ATOM 122 HB3 HIS A 9 -4.837 13.432 -5.654 1.00 1.00 H +ATOM 123 HD1 HIS A 9 -1.770 12.642 -3.841 1.00 1.00 H +ATOM 124 HD2 HIS A 9 -2.730 14.433 -7.510 1.00 1.00 H +ATOM 125 HE1 HIS A 9 0.309 13.929 -4.573 1.00 1.00 H +ATOM 126 N SER A 10 -6.575 12.833 -3.937 1.00 1.00 N +ATOM 127 CA SER A 10 -8.005 12.731 -3.697 1.00 1.00 C +ATOM 128 C SER A 10 -8.709 12.215 -4.954 1.00 1.00 C +ATOM 129 O SER A 10 -9.840 12.606 -5.241 1.00 1.00 O +ATOM 130 CB SER A 10 -8.589 14.082 -3.278 1.00 1.00 C +ATOM 131 OG SER A 10 -8.323 14.376 -1.909 1.00 1.00 O +ATOM 132 H SER A 10 -6.251 13.747 -4.178 1.00 1.00 H +ATOM 133 HA SER A 10 -8.112 12.019 -2.879 1.00 1.00 H +ATOM 134 HB2 SER A 10 -8.172 14.869 -3.906 1.00 1.00 H +ATOM 135 HB3 SER A 10 -9.667 14.078 -3.445 1.00 1.00 H +ATOM 136 HG SER A 10 -7.837 15.247 -1.836 1.00 1.00 H +ATOM 137 N TRP A 11 -8.014 11.344 -5.669 1.00 1.00 N +ATOM 138 CA TRP A 11 -8.559 10.770 -6.887 1.00 1.00 C +ATOM 139 C TRP A 11 -7.956 9.377 -7.065 1.00 1.00 C +ATOM 140 O TRP A 11 -8.136 8.744 -8.104 1.00 1.00 O +ATOM 141 CB TRP A 11 -8.308 11.687 -8.085 1.00 1.00 C +ATOM 142 CG TRP A 11 -6.893 12.265 -8.141 1.00 1.00 C +ATOM 143 CD1 TRP A 11 -6.521 13.548 -8.035 1.00 1.00 C +ATOM 144 CD2 TRP A 11 -5.667 11.525 -8.321 1.00 1.00 C +ATOM 145 NE1 TRP A 11 -5.150 13.688 -8.131 1.00 1.00 N +ATOM 146 CE2 TRP A 11 -4.615 12.419 -8.312 1.00 1.00 C +ATOM 147 CE3 TRP A 11 -5.454 10.144 -8.486 1.00 1.00 C +ATOM 148 CZ2 TRP A 11 -3.279 12.031 -8.463 1.00 1.00 C +ATOM 149 CZ3 TRP A 11 -4.112 9.773 -8.636 1.00 1.00 C +ATOM 150 CH2 TRP A 11 -3.043 10.662 -8.630 1.00 1.00 C +ATOM 151 H TRP A 11 -7.094 11.031 -5.429 1.00 1.00 H +ATOM 152 HA TRP A 11 -9.640 10.696 -6.767 1.00 1.00 H +ATOM 153 HB2 TRP A 11 -8.497 11.129 -9.003 1.00 1.00 H +ATOM 154 HB3 TRP A 11 -9.024 12.508 -8.059 1.00 1.00 H +ATOM 155 HD1 TRP A 11 -7.213 14.378 -7.888 1.00 1.00 H +ATOM 156 HE1 TRP A 11 -4.592 14.623 -8.078 1.00 1.00 H +ATOM 157 HE3 TRP A 11 -6.267 9.419 -8.497 1.00 1.00 H +ATOM 158 HZ2 TRP A 11 -2.466 12.757 -8.453 1.00 1.00 H +ATOM 159 HZ3 TRP A 11 -3.891 8.715 -8.767 1.00 1.00 H +ATOM 160 HH2 TRP A 11 -2.024 10.293 -8.753 1.00 1.00 H +ATOM 161 N TYR A 12 -7.248 8.936 -6.033 1.00 1.00 N +ATOM 162 CA TYR A 12 -6.617 7.627 -6.062 1.00 1.00 C +ATOM 163 C TYR A 12 -7.298 6.668 -5.084 1.00 1.00 C +ATOM 164 O TYR A 12 -7.252 6.875 -3.873 1.00 1.00 O +ATOM 165 CB TYR A 12 -5.170 7.849 -5.618 1.00 1.00 C +ATOM 166 CG TYR A 12 -4.194 6.786 -6.126 1.00 1.00 C +ATOM 167 CD1 TYR A 12 -4.169 6.456 -7.466 1.00 1.00 C +ATOM 168 CD2 TYR A 12 -3.337 6.158 -5.244 1.00 1.00 C +ATOM 169 CE1 TYR A 12 -3.250 5.456 -7.944 1.00 1.00 C +ATOM 170 CE2 TYR A 12 -2.418 5.158 -5.724 1.00 1.00 C +ATOM 171 CZ TYR A 12 -2.419 4.857 -7.049 1.00 1.00 C +ATOM 172 OH TYR A 12 -1.552 3.912 -7.501 1.00 1.00 O +ATOM 173 H TYR A 12 -7.106 9.456 -5.192 1.00 1.00 H +ATOM 174 HA TYR A 12 -6.710 7.231 -7.074 1.00 1.00 H +ATOM 175 HB2 TYR A 12 -4.839 8.827 -5.964 1.00 1.00 H +ATOM 176 HB3 TYR A 12 -5.135 7.868 -4.529 1.00 1.00 H +ATOM 177 HD1 TYR A 12 -4.846 6.952 -8.162 1.00 1.00 H +ATOM 178 HD2 TYR A 12 -3.356 6.419 -4.187 1.00 1.00 H +ATOM 179 HE1 TYR A 12 -3.222 5.186 -9.000 1.00 1.00 H +ATOM 180 HE2 TYR A 12 -1.736 4.654 -5.038 1.00 1.00 H +ATOM 181 HH TYR A 12 -2.048 3.076 -7.736 1.00 1.00 H +ATOM 182 N HIS A 13 -7.916 5.639 -5.648 1.00 1.00 N +ATOM 183 CA HIS A 13 -8.605 4.648 -4.842 1.00 1.00 C +ATOM 184 C HIS A 13 -8.049 3.257 -5.152 1.00 1.00 C +ATOM 185 O HIS A 13 -8.701 2.249 -4.879 1.00 1.00 O +ATOM 186 CB HIS A 13 -10.120 4.741 -5.043 1.00 1.00 C +ATOM 187 CG HIS A 13 -10.526 5.396 -6.342 1.00 1.00 C +ATOM 188 ND1 HIS A 13 -11.505 4.874 -7.170 1.00 1.00 N +ATOM 189 CD2 HIS A 13 -10.078 6.534 -6.944 1.00 1.00 C +ATOM 190 CE1 HIS A 13 -11.630 5.670 -8.222 1.00 1.00 C +ATOM 191 NE2 HIS A 13 -10.746 6.698 -8.080 1.00 1.00 N +ATOM 192 H HIS A 13 -7.949 5.479 -6.635 1.00 1.00 H +ATOM 193 HA HIS A 13 -8.394 4.889 -3.799 1.00 1.00 H +ATOM 194 HB2 HIS A 13 -10.542 3.737 -5.006 1.00 1.00 H +ATOM 195 HB3 HIS A 13 -10.553 5.301 -4.215 1.00 1.00 H +ATOM 196 HD1 HIS A 13 -12.027 4.037 -7.004 1.00 1.00 H +ATOM 197 HD2 HIS A 13 -9.304 7.197 -6.559 1.00 1.00 H +ATOM 198 HE1 HIS A 13 -12.321 5.528 -9.053 1.00 1.00 H +ATOM 199 N GLY A 14 -6.853 3.246 -5.719 1.00 1.00 N +ATOM 200 CA GLY A 14 -6.202 1.996 -6.070 1.00 1.00 C +ATOM 201 C GLY A 14 -6.041 1.867 -7.587 1.00 1.00 C +ATOM 202 O GLY A 14 -6.360 2.795 -8.329 1.00 1.00 O +ATOM 203 H GLY A 14 -6.331 4.071 -5.939 1.00 1.00 H +ATOM 204 HA2 GLY A 14 -5.224 1.943 -5.592 1.00 1.00 H +ATOM 205 HA3 GLY A 14 -6.787 1.158 -5.691 1.00 1.00 H +ATOM 206 N PRO A 15 -5.534 0.679 -8.013 1.00 1.00 N +ATOM 207 CA PRO A 15 -5.327 0.419 -9.427 1.00 1.00 C +ATOM 208 C PRO A 15 -6.656 0.144 -10.134 1.00 1.00 C +ATOM 209 O PRO A 15 -7.392 -0.763 -9.750 1.00 1.00 O +ATOM 210 CB PRO A 15 -4.373 -0.765 -9.473 1.00 1.00 C +ATOM 211 CG PRO A 15 -4.449 -1.414 -8.102 1.00 1.00 C +ATOM 212 CD PRO A 15 -5.145 -0.442 -7.163 1.00 1.00 C +ATOM 213 HA PRO A 15 -4.939 1.224 -9.877 1.00 1.00 H +ATOM 214 HB2 PRO A 15 -4.663 -1.468 -10.254 1.00 1.00 H +ATOM 215 HB3 PRO A 15 -3.357 -0.439 -9.697 1.00 1.00 H +ATOM 216 HG2 PRO A 15 -4.997 -2.353 -8.153 1.00 1.00 H +ATOM 217 HG3 PRO A 15 -3.448 -1.649 -7.734 1.00 1.00 H +ATOM 218 HD2 PRO A 15 -6.014 -0.901 -6.691 1.00 1.00 H +ATOM 219 HD3 PRO A 15 -4.480 -0.119 -6.361 1.00 1.00 H +ATOM 220 N VAL A 16 -6.923 0.945 -11.155 1.00 1.00 N +ATOM 221 CA VAL A 16 -8.151 0.800 -11.918 1.00 1.00 C +ATOM 222 C VAL A 16 -7.873 -0.041 -13.167 1.00 1.00 C +ATOM 223 O VAL A 16 -6.888 0.189 -13.868 1.00 1.00 O +ATOM 224 CB VAL A 16 -8.731 2.177 -12.244 1.00 1.00 C +ATOM 225 CG1 VAL A 16 -9.908 2.062 -13.214 1.00 1.00 C +ATOM 226 CG2 VAL A 16 -9.142 2.913 -10.967 1.00 1.00 C +ATOM 227 H VAL A 16 -6.319 1.681 -11.461 1.00 1.00 H +ATOM 228 HA VAL A 16 -8.867 0.271 -11.292 1.00 1.00 H +ATOM 229 HB VAL A 16 -7.951 2.763 -12.732 1.00 1.00 H +ATOM 230 HG11 VAL A 16 -10.348 1.067 -13.134 1.00 1.00 H +ATOM 231 HG12 VAL A 16 -10.659 2.812 -12.967 1.00 1.00 H +ATOM 232 HG13 VAL A 16 -9.556 2.223 -14.233 1.00 1.00 H +ATOM 233 HG21 VAL A 16 -8.747 2.387 -10.100 1.00 1.00 H +ATOM 234 HG22 VAL A 16 -8.746 3.928 -10.988 1.00 1.00 H +ATOM 235 HG23 VAL A 16 -10.230 2.951 -10.904 1.00 1.00 H +ATOM 236 N SER A 17 -8.757 -0.997 -13.407 1.00 1.00 N +ATOM 237 CA SER A 17 -8.620 -1.873 -14.557 1.00 1.00 C +ATOM 238 C SER A 17 -9.019 -1.128 -15.832 1.00 1.00 C +ATOM 239 O SER A 17 -10.103 -0.554 -15.907 1.00 1.00 O +ATOM 240 CB SER A 17 -9.469 -3.136 -14.393 1.00 1.00 C +ATOM 241 OG SER A 17 -9.265 -3.755 -13.125 1.00 1.00 O +ATOM 242 H SER A 17 -9.556 -1.177 -12.832 1.00 1.00 H +ATOM 243 HA SER A 17 -7.565 -2.147 -14.587 1.00 1.00 H +ATOM 244 HB2 SER A 17 -10.522 -2.882 -14.507 1.00 1.00 H +ATOM 245 HB3 SER A 17 -9.223 -3.844 -15.185 1.00 1.00 H +ATOM 246 HG SER A 17 -8.919 -3.085 -12.469 1.00 1.00 H +ATOM 247 N ARG A 18 -8.121 -1.162 -16.806 1.00 1.00 N +ATOM 248 CA ARG A 18 -8.365 -0.498 -18.074 1.00 1.00 C +ATOM 249 C ARG A 18 -9.507 -1.186 -18.823 1.00 1.00 C +ATOM 250 O ARG A 18 -10.512 -0.555 -19.146 1.00 1.00 O +ATOM 251 CB ARG A 18 -7.111 -0.506 -18.951 1.00 1.00 C +ATOM 252 CG ARG A 18 -6.580 0.913 -19.163 1.00 1.00 C +ATOM 253 CD ARG A 18 -5.730 0.998 -20.431 1.00 1.00 C +ATOM 254 NE ARG A 18 -4.318 1.268 -20.079 1.00 1.00 N +ATOM 255 CZ ARG A 18 -3.796 2.497 -19.956 1.00 1.00 C +ATOM 256 NH1 ARG A 18 -4.567 3.574 -20.157 1.00 1.00 N +ATOM 257 NH2 ARG A 18 -2.506 2.647 -19.633 1.00 1.00 N +ATOM 258 H ARG A 18 -7.240 -1.633 -16.738 1.00 1.00 H +ATOM 259 HA ARG A 18 -8.632 0.524 -17.807 1.00 1.00 H +ATOM 260 HB2 ARG A 18 -6.341 -1.121 -18.486 1.00 1.00 H +ATOM 261 HB3 ARG A 18 -7.340 -0.959 -19.915 1.00 1.00 H +ATOM 262 HG2 ARG A 18 -7.414 1.611 -19.230 1.00 1.00 H +ATOM 263 HG3 ARG A 18 -5.982 1.213 -18.301 1.00 1.00 H +ATOM 264 HD2 ARG A 18 -5.802 0.064 -20.990 1.00 1.00 H +ATOM 265 HD3 ARG A 18 -6.109 1.787 -21.080 1.00 1.00 H +ATOM 266 HE ARG A 18 -3.716 0.485 -19.923 1.00 1.00 H +ATOM 267 HH11 ARG A 18 -5.531 3.463 -20.398 1.00 1.00 H +ATOM 268 HH12 ARG A 18 -4.178 4.491 -20.065 1.00 1.00 H +ATOM 269 HH21 ARG A 18 -1.930 1.841 -19.484 1.00 1.00 H +ATOM 270 HH22 ARG A 18 -2.116 3.563 -19.541 1.00 1.00 H +ATOM 271 N ASN A 19 -9.315 -2.474 -19.077 1.00 1.00 N +ATOM 272 CA ASN A 19 -10.317 -3.254 -19.782 1.00 1.00 C +ATOM 273 C ASN A 19 -11.696 -2.962 -19.188 1.00 1.00 C +ATOM 274 O ASN A 19 -12.617 -2.576 -19.907 1.00 1.00 O +ATOM 275 CB ASN A 19 -10.048 -4.754 -19.637 1.00 1.00 C +ATOM 276 CG ASN A 19 -9.782 -5.398 -20.998 1.00 1.00 C +ATOM 277 OD1 ASN A 19 -10.549 -6.208 -21.492 1.00 1.00 O +ATOM 278 ND2 ASN A 19 -8.656 -4.992 -21.578 1.00 1.00 N +ATOM 279 H ASN A 19 -8.495 -2.979 -18.811 1.00 1.00 H +ATOM 280 HA ASN A 19 -10.238 -2.948 -20.824 1.00 1.00 H +ATOM 281 HB2 ASN A 19 -9.190 -4.912 -18.982 1.00 1.00 H +ATOM 282 HB3 ASN A 19 -10.903 -5.235 -19.163 1.00 1.00 H +ATOM 283 HD21 ASN A 19 -8.070 -4.324 -21.120 1.00 1.00 H +ATOM 284 HD22 ASN A 19 -8.394 -5.355 -22.472 1.00 1.00 H +ATOM 285 N ALA A 20 -11.797 -3.158 -17.881 1.00 1.00 N +ATOM 286 CA ALA A 20 -13.048 -2.919 -17.183 1.00 1.00 C +ATOM 287 C ALA A 20 -13.401 -1.433 -17.270 1.00 1.00 C +ATOM 288 O ALA A 20 -14.547 -1.079 -17.542 1.00 1.00 O +ATOM 289 CB ALA A 20 -12.927 -3.405 -15.736 1.00 1.00 C +ATOM 290 H ALA A 20 -11.043 -3.471 -17.304 1.00 1.00 H +ATOM 291 HA ALA A 20 -13.823 -3.499 -17.683 1.00 1.00 H +ATOM 292 HB1 ALA A 20 -11.931 -3.817 -15.575 1.00 1.00 H +ATOM 293 HB2 ALA A 20 -13.088 -2.567 -15.057 1.00 1.00 H +ATOM 294 HB3 ALA A 20 -13.675 -4.175 -15.548 1.00 1.00 H +ATOM 295 N ALA A 21 -12.396 -0.603 -17.036 1.00 1.00 N +ATOM 296 CA ALA A 21 -12.586 0.836 -17.086 1.00 1.00 C +ATOM 297 C ALA A 21 -13.427 1.193 -18.312 1.00 1.00 C +ATOM 298 O ALA A 21 -14.439 1.885 -18.197 1.00 1.00 O +ATOM 299 CB ALA A 21 -11.223 1.532 -17.091 1.00 1.00 C +ATOM 300 H ALA A 21 -11.466 -0.899 -16.815 1.00 1.00 H +ATOM 301 HA ALA A 21 -13.127 1.131 -16.186 1.00 1.00 H +ATOM 302 HB1 ALA A 21 -10.561 1.028 -17.796 1.00 1.00 H +ATOM 303 HB2 ALA A 21 -11.348 2.573 -17.390 1.00 1.00 H +ATOM 304 HB3 ALA A 21 -10.790 1.491 -16.092 1.00 1.00 H +ATOM 305 N GLU A 22 -12.980 0.706 -19.461 1.00 1.00 N +ATOM 306 CA GLU A 22 -13.679 0.964 -20.707 1.00 1.00 C +ATOM 307 C GLU A 22 -15.107 0.419 -20.638 1.00 1.00 C +ATOM 308 O GLU A 22 -16.031 1.016 -21.188 1.00 1.00 O +ATOM 309 CB GLU A 22 -12.922 0.367 -21.895 1.00 1.00 C +ATOM 310 CG GLU A 22 -11.510 -0.057 -21.487 1.00 1.00 C +ATOM 311 CD GLU A 22 -10.634 -0.306 -22.718 1.00 1.00 C +ATOM 312 OE1 GLU A 22 -11.182 -0.847 -23.703 1.00 1.00 O +ATOM 313 OE2 GLU A 22 -9.439 0.052 -22.646 1.00 1.00 O +ATOM 314 H GLU A 22 -12.157 0.144 -19.546 1.00 1.00 H +ATOM 315 HA GLU A 22 -13.701 2.049 -20.806 1.00 1.00 H +ATOM 316 HB2 GLU A 22 -13.466 -0.494 -22.282 1.00 1.00 H +ATOM 317 HB3 GLU A 22 -12.867 1.100 -22.700 1.00 1.00 H +ATOM 318 HG2 GLU A 22 -11.059 0.718 -20.867 1.00 1.00 H +ATOM 319 HG3 GLU A 22 -11.558 -0.962 -20.881 1.00 1.00 H +ATOM 320 N TYR A 23 -15.243 -0.710 -19.957 1.00 1.00 N +ATOM 321 CA TYR A 23 -16.543 -1.342 -19.809 1.00 1.00 C +ATOM 322 C TYR A 23 -17.398 -0.603 -18.779 1.00 1.00 C +ATOM 323 O TYR A 23 -18.403 0.014 -19.127 1.00 1.00 O +ATOM 324 CB TYR A 23 -16.267 -2.760 -19.303 1.00 1.00 C +ATOM 325 CG TYR A 23 -17.513 -3.642 -19.216 1.00 1.00 C +ATOM 326 CD1 TYR A 23 -18.511 -3.341 -18.312 1.00 1.00 C +ATOM 327 CD2 TYR A 23 -17.638 -4.742 -20.042 1.00 1.00 C +ATOM 328 CE1 TYR A 23 -19.684 -4.171 -18.230 1.00 1.00 C +ATOM 329 CE2 TYR A 23 -18.812 -5.573 -19.960 1.00 1.00 C +ATOM 330 CZ TYR A 23 -19.777 -5.246 -19.057 1.00 1.00 C +ATOM 331 OH TYR A 23 -20.884 -6.032 -18.981 1.00 1.00 O +ATOM 332 H TYR A 23 -14.487 -1.191 -19.513 1.00 1.00 H +ATOM 333 HA TYR A 23 -17.045 -1.310 -20.777 1.00 1.00 H +ATOM 334 HB2 TYR A 23 -15.543 -3.235 -19.965 1.00 1.00 H +ATOM 335 HB3 TYR A 23 -15.807 -2.699 -18.316 1.00 1.00 H +ATOM 336 HD1 TYR A 23 -18.412 -2.472 -17.661 1.00 1.00 H +ATOM 337 HD2 TYR A 23 -16.851 -4.980 -20.756 1.00 1.00 H +ATOM 338 HE1 TYR A 23 -20.481 -3.944 -17.521 1.00 1.00 H +ATOM 339 HE2 TYR A 23 -18.924 -6.445 -20.605 1.00 1.00 H +ATOM 340 HH TYR A 23 -21.340 -5.895 -18.101 1.00 1.00 H +ATOM 341 N LEU A 24 -16.967 -0.689 -17.529 1.00 1.00 N +ATOM 342 CA LEU A 24 -17.680 -0.036 -16.445 1.00 1.00 C +ATOM 343 C LEU A 24 -18.004 1.406 -16.847 1.00 1.00 C +ATOM 344 O LEU A 24 -19.069 1.921 -16.516 1.00 1.00 O +ATOM 345 CB LEU A 24 -16.891 -0.147 -15.138 1.00 1.00 C +ATOM 346 CG LEU A 24 -15.532 0.555 -15.117 1.00 1.00 C +ATOM 347 CD1 LEU A 24 -15.654 1.970 -14.548 1.00 1.00 C +ATOM 348 CD2 LEU A 24 -14.496 -0.278 -14.359 1.00 1.00 C +ATOM 349 H LEU A 24 -16.149 -1.193 -17.253 1.00 1.00 H +ATOM 350 HA LEU A 24 -18.619 -0.572 -16.300 1.00 1.00 H +ATOM 351 HB2 LEU A 24 -17.500 0.260 -14.332 1.00 1.00 H +ATOM 352 HB3 LEU A 24 -16.735 -1.204 -14.920 1.00 1.00 H +ATOM 353 HG LEU A 24 -15.178 0.650 -16.144 1.00 1.00 H +ATOM 354 HD11 LEU A 24 -16.293 1.953 -13.665 1.00 1.00 H +ATOM 355 HD12 LEU A 24 -14.666 2.340 -14.274 1.00 1.00 H +ATOM 356 HD13 LEU A 24 -16.091 2.627 -15.300 1.00 1.00 H +ATOM 357 HD21 LEU A 24 -14.944 -1.225 -14.054 1.00 1.00 H +ATOM 358 HD22 LEU A 24 -13.642 -0.473 -15.007 1.00 1.00 H +ATOM 359 HD23 LEU A 24 -14.165 0.267 -13.476 1.00 1.00 H +ATOM 360 N LEU A 25 -17.064 2.012 -17.557 1.00 1.00 N +ATOM 361 CA LEU A 25 -17.236 3.382 -18.007 1.00 1.00 C +ATOM 362 C LEU A 25 -18.326 3.429 -19.079 1.00 1.00 C +ATOM 363 O LEU A 25 -18.076 3.850 -20.208 1.00 1.00 O +ATOM 364 CB LEU A 25 -15.898 3.967 -18.466 1.00 1.00 C +ATOM 365 CG LEU A 25 -15.911 5.445 -18.861 1.00 1.00 C +ATOM 366 CD1 LEU A 25 -15.330 6.316 -17.747 1.00 1.00 C +ATOM 367 CD2 LEU A 25 -15.192 5.663 -20.194 1.00 1.00 C +ATOM 368 H LEU A 25 -16.200 1.585 -17.822 1.00 1.00 H +ATOM 369 HA LEU A 25 -17.567 3.969 -17.151 1.00 1.00 H +ATOM 370 HB2 LEU A 25 -15.171 3.833 -17.665 1.00 1.00 H +ATOM 371 HB3 LEU A 25 -15.543 3.386 -19.319 1.00 1.00 H +ATOM 372 HG LEU A 25 -16.948 5.750 -19.002 1.00 1.00 H +ATOM 373 HD11 LEU A 25 -14.799 5.686 -17.033 1.00 1.00 H +ATOM 374 HD12 LEU A 25 -14.638 7.041 -18.176 1.00 1.00 H +ATOM 375 HD13 LEU A 25 -16.137 6.841 -17.237 1.00 1.00 H +ATOM 376 HD21 LEU A 25 -14.563 4.799 -20.413 1.00 1.00 H +ATOM 377 HD22 LEU A 25 -15.928 5.787 -20.988 1.00 1.00 H +ATOM 378 HD23 LEU A 25 -14.572 6.557 -20.131 1.00 1.00 H +ATOM 379 N SER A 26 -19.514 2.992 -18.688 1.00 1.00 N +ATOM 380 CA SER A 26 -20.645 2.978 -19.602 1.00 1.00 C +ATOM 381 C SER A 26 -21.393 4.310 -19.528 1.00 1.00 C +ATOM 382 O SER A 26 -21.587 4.974 -20.546 1.00 1.00 O +ATOM 383 CB SER A 26 -21.593 1.819 -19.288 1.00 1.00 C +ATOM 384 OG SER A 26 -22.169 1.938 -17.988 1.00 1.00 O +ATOM 385 H SER A 26 -19.709 2.651 -17.769 1.00 1.00 H +ATOM 386 HA SER A 26 -20.213 2.835 -20.592 1.00 1.00 H +ATOM 387 HB2 SER A 26 -22.387 1.788 -20.033 1.00 1.00 H +ATOM 388 HB3 SER A 26 -21.051 0.877 -19.359 1.00 1.00 H +ATOM 389 HG SER A 26 -22.845 2.674 -17.981 1.00 1.00 H +ATOM 390 N SER A 27 -21.791 4.663 -18.316 1.00 1.00 N +ATOM 391 CA SER A 27 -22.513 5.905 -18.095 1.00 1.00 C +ATOM 392 C SER A 27 -21.604 6.923 -17.405 1.00 1.00 C +ATOM 393 O SER A 27 -21.321 7.984 -17.958 1.00 1.00 O +ATOM 394 CB SER A 27 -23.775 5.669 -17.265 1.00 1.00 C +ATOM 395 OG SER A 27 -24.516 6.870 -17.064 1.00 1.00 O +ATOM 396 H SER A 27 -21.629 4.119 -17.493 1.00 1.00 H +ATOM 397 HA SER A 27 -22.793 6.255 -19.090 1.00 1.00 H +ATOM 398 HB2 SER A 27 -24.407 4.933 -17.765 1.00 1.00 H +ATOM 399 HB3 SER A 27 -23.500 5.247 -16.298 1.00 1.00 H +ATOM 400 HG SER A 27 -25.109 7.042 -17.851 1.00 1.00 H +ATOM 401 N GLY A 28 -21.174 6.565 -16.203 1.00 1.00 N +ATOM 402 CA GLY A 28 -20.304 7.433 -15.430 1.00 1.00 C +ATOM 403 C GLY A 28 -20.671 8.904 -15.639 1.00 1.00 C +ATOM 404 O GLY A 28 -21.827 9.228 -15.906 1.00 1.00 O +ATOM 405 H GLY A 28 -21.410 5.699 -15.760 1.00 1.00 H +ATOM 406 HA2 GLY A 28 -20.381 7.183 -14.372 1.00 1.00 H +ATOM 407 HA3 GLY A 28 -19.267 7.269 -15.721 1.00 1.00 H +ATOM 408 N ILE A 29 -19.664 9.756 -15.512 1.00 1.00 N +ATOM 409 CA ILE A 29 -19.866 11.185 -15.684 1.00 1.00 C +ATOM 410 C ILE A 29 -19.403 11.595 -17.083 1.00 1.00 C +ATOM 411 O ILE A 29 -18.944 10.759 -17.861 1.00 1.00 O +ATOM 412 CB ILE A 29 -19.182 11.962 -14.557 1.00 1.00 C +ATOM 413 CG1 ILE A 29 -18.384 11.024 -13.650 1.00 1.00 C +ATOM 414 CG2 ILE A 29 -20.198 12.793 -13.771 1.00 1.00 C +ATOM 415 CD1 ILE A 29 -17.763 11.791 -12.480 1.00 1.00 C +ATOM 416 H ILE A 29 -18.726 9.485 -15.295 1.00 1.00 H +ATOM 417 HA ILE A 29 -20.936 11.375 -15.605 1.00 1.00 H +ATOM 418 HB ILE A 29 -18.473 12.659 -15.005 1.00 1.00 H +ATOM 419 HG12 ILE A 29 -19.037 10.238 -13.270 1.00 1.00 H +ATOM 420 HG13 ILE A 29 -17.598 10.535 -14.227 1.00 1.00 H +ATOM 421 HG21 ILE A 29 -21.170 12.301 -13.798 1.00 1.00 H +ATOM 422 HG22 ILE A 29 -19.867 12.887 -12.736 1.00 1.00 H +ATOM 423 HG23 ILE A 29 -20.279 13.785 -14.218 1.00 1.00 H +ATOM 424 HD11 ILE A 29 -17.911 12.860 -12.627 1.00 1.00 H +ATOM 425 HD12 ILE A 29 -18.239 11.481 -11.550 1.00 1.00 H +ATOM 426 HD13 ILE A 29 -16.695 11.575 -12.430 1.00 1.00 H +ATOM 427 N ASN A 30 -19.539 12.883 -17.362 1.00 1.00 N +ATOM 428 CA ASN A 30 -19.141 13.415 -18.655 1.00 1.00 C +ATOM 429 C ASN A 30 -17.617 13.549 -18.699 1.00 1.00 C +ATOM 430 O ASN A 30 -17.062 14.042 -19.679 1.00 1.00 O +ATOM 431 CB ASN A 30 -19.743 14.802 -18.889 1.00 1.00 C +ATOM 432 CG ASN A 30 -19.540 15.251 -20.337 1.00 1.00 C +ATOM 433 OD1 ASN A 30 -18.524 15.824 -20.699 1.00 1.00 O +ATOM 434 ND2 ASN A 30 -20.557 14.960 -21.142 1.00 1.00 N +ATOM 435 H ASN A 30 -19.912 13.557 -16.724 1.00 1.00 H +ATOM 436 HA ASN A 30 -19.518 12.702 -19.386 1.00 1.00 H +ATOM 437 HB2 ASN A 30 -20.809 14.783 -18.658 1.00 1.00 H +ATOM 438 HB3 ASN A 30 -19.283 15.522 -18.213 1.00 1.00 H +ATOM 439 HD21 ASN A 30 -21.362 14.488 -20.782 1.00 1.00 H +ATOM 440 HD22 ASN A 30 -20.518 15.213 -22.110 1.00 1.00 H +ATOM 441 N GLY A 31 -16.984 13.103 -17.623 1.00 1.00 N +ATOM 442 CA GLY A 31 -15.537 13.168 -17.525 1.00 1.00 C +ATOM 443 C GLY A 31 -15.056 12.673 -16.161 1.00 1.00 C +ATOM 444 O GLY A 31 -15.531 13.136 -15.125 1.00 1.00 O +ATOM 445 H GLY A 31 -17.444 12.705 -16.829 1.00 1.00 H +ATOM 446 HA2 GLY A 31 -15.088 12.562 -18.314 1.00 1.00 H +ATOM 447 HA3 GLY A 31 -15.203 14.193 -17.682 1.00 1.00 H +ATOM 448 N SER A 32 -14.119 11.737 -16.203 1.00 1.00 N +ATOM 449 CA SER A 32 -13.568 11.174 -14.980 1.00 1.00 C +ATOM 450 C SER A 32 -12.176 10.602 -15.249 1.00 1.00 C +ATOM 451 O SER A 32 -11.994 9.805 -16.168 1.00 1.00 O +ATOM 452 CB SER A 32 -14.487 10.091 -14.412 1.00 1.00 C +ATOM 453 OG SER A 32 -14.732 9.049 -15.352 1.00 1.00 O +ATOM 454 H SER A 32 -13.738 11.364 -17.047 1.00 1.00 H +ATOM 455 HA SER A 32 -13.511 12.006 -14.279 1.00 1.00 H +ATOM 456 HB2 SER A 32 -14.036 9.668 -13.513 1.00 1.00 H +ATOM 457 HB3 SER A 32 -15.434 10.539 -14.111 1.00 1.00 H +ATOM 458 HG SER A 32 -15.667 8.711 -15.253 1.00 1.00 H +ATOM 459 N PHE A 33 -11.227 11.030 -14.431 1.00 1.00 N +ATOM 460 CA PHE A 33 -9.855 10.571 -14.569 1.00 1.00 C +ATOM 461 C PHE A 33 -9.433 9.735 -13.359 1.00 1.00 C +ATOM 462 O PHE A 33 -9.386 10.239 -12.236 1.00 1.00 O +ATOM 463 CB PHE A 33 -8.971 11.817 -14.647 1.00 1.00 C +ATOM 464 CG PHE A 33 -8.671 12.453 -13.288 1.00 1.00 C +ATOM 465 CD1 PHE A 33 -9.616 12.444 -12.310 1.00 1.00 C +ATOM 466 CD2 PHE A 33 -7.460 13.028 -13.058 1.00 1.00 C +ATOM 467 CE1 PHE A 33 -9.338 13.036 -11.049 1.00 1.00 C +ATOM 468 CE2 PHE A 33 -7.183 13.619 -11.797 1.00 1.00 C +ATOM 469 CZ PHE A 33 -8.126 13.610 -10.820 1.00 1.00 C +ATOM 470 H PHE A 33 -11.381 11.679 -13.685 1.00 1.00 H +ATOM 471 HA PHE A 33 -9.809 9.954 -15.467 1.00 1.00 H +ATOM 472 HB2 PHE A 33 -8.029 11.552 -15.127 1.00 1.00 H +ATOM 473 HB3 PHE A 33 -9.457 12.556 -15.284 1.00 1.00 H +ATOM 474 HD1 PHE A 33 -10.587 11.984 -12.494 1.00 1.00 H +ATOM 475 HD2 PHE A 33 -6.702 13.036 -13.842 1.00 1.00 H +ATOM 476 HE1 PHE A 33 -10.096 13.029 -10.265 1.00 1.00 H +ATOM 477 HE2 PHE A 33 -6.212 14.080 -11.613 1.00 1.00 H +ATOM 478 HZ PHE A 33 -7.914 14.063 -9.851 1.00 1.00 H +ATOM 479 N LEU A 34 -9.135 8.472 -13.626 1.00 1.00 N +ATOM 480 CA LEU A 34 -8.718 7.561 -12.574 1.00 1.00 C +ATOM 481 C LEU A 34 -7.422 6.865 -12.991 1.00 1.00 C +ATOM 482 O LEU A 34 -7.422 6.041 -13.906 1.00 1.00 O +ATOM 483 CB LEU A 34 -9.850 6.594 -12.222 1.00 1.00 C +ATOM 484 CG LEU A 34 -11.065 6.618 -13.150 1.00 1.00 C +ATOM 485 CD1 LEU A 34 -11.533 5.199 -13.478 1.00 1.00 C +ATOM 486 CD2 LEU A 34 -12.191 7.472 -12.561 1.00 1.00 C +ATOM 487 H LEU A 34 -9.176 8.070 -14.541 1.00 1.00 H +ATOM 488 HA LEU A 34 -8.518 8.160 -11.685 1.00 1.00 H +ATOM 489 HB2 LEU A 34 -9.446 5.583 -12.210 1.00 1.00 H +ATOM 490 HB3 LEU A 34 -10.187 6.815 -11.210 1.00 1.00 H +ATOM 491 HG LEU A 34 -10.767 7.083 -14.091 1.00 1.00 H +ATOM 492 HD11 LEU A 34 -11.623 4.624 -12.556 1.00 1.00 H +ATOM 493 HD12 LEU A 34 -12.502 5.241 -13.975 1.00 1.00 H +ATOM 494 HD13 LEU A 34 -10.808 4.720 -14.136 1.00 1.00 H +ATOM 495 HD21 LEU A 34 -11.897 7.825 -11.572 1.00 1.00 H +ATOM 496 HD22 LEU A 34 -12.379 8.325 -13.211 1.00 1.00 H +ATOM 497 HD23 LEU A 34 -13.096 6.870 -12.477 1.00 1.00 H +ATOM 498 N VAL A 35 -6.346 7.221 -12.302 1.00 1.00 N +ATOM 499 CA VAL A 35 -5.046 6.640 -12.591 1.00 1.00 C +ATOM 500 C VAL A 35 -5.022 5.190 -12.106 1.00 1.00 C +ATOM 501 O VAL A 35 -5.749 4.828 -11.181 1.00 1.00 O +ATOM 502 CB VAL A 35 -3.941 7.497 -11.970 1.00 1.00 C +ATOM 503 CG1 VAL A 35 -3.424 6.869 -10.674 1.00 1.00 C +ATOM 504 CG2 VAL A 35 -2.801 7.724 -12.964 1.00 1.00 C +ATOM 505 H VAL A 35 -6.356 7.892 -11.561 1.00 1.00 H +ATOM 506 HA VAL A 35 -4.914 6.651 -13.673 1.00 1.00 H +ATOM 507 HB VAL A 35 -4.370 8.469 -11.724 1.00 1.00 H +ATOM 508 HG11 VAL A 35 -4.260 6.446 -10.117 1.00 1.00 H +ATOM 509 HG12 VAL A 35 -2.709 6.081 -10.912 1.00 1.00 H +ATOM 510 HG13 VAL A 35 -2.934 7.633 -10.071 1.00 1.00 H +ATOM 511 HG21 VAL A 35 -3.015 7.194 -13.891 1.00 1.00 H +ATOM 512 HG22 VAL A 35 -2.706 8.791 -13.169 1.00 1.00 H +ATOM 513 HG23 VAL A 35 -1.868 7.352 -12.538 1.00 1.00 H +ATOM 514 N ARG A 36 -4.178 4.397 -12.751 1.00 1.00 N +ATOM 515 CA ARG A 36 -4.050 2.994 -12.397 1.00 1.00 C +ATOM 516 C ARG A 36 -2.582 2.642 -12.149 1.00 1.00 C +ATOM 517 O ARG A 36 -1.722 3.520 -12.140 1.00 1.00 O +ATOM 518 CB ARG A 36 -4.604 2.094 -13.503 1.00 1.00 C +ATOM 519 CG ARG A 36 -5.365 2.914 -14.548 1.00 1.00 C +ATOM 520 CD ARG A 36 -5.549 2.116 -15.841 1.00 1.00 C +ATOM 521 NE ARG A 36 -5.732 3.040 -16.982 1.00 1.00 N +ATOM 522 CZ ARG A 36 -6.902 3.245 -17.602 1.00 1.00 C +ATOM 523 NH1 ARG A 36 -8.000 2.593 -17.195 1.00 1.00 N +ATOM 524 NH2 ARG A 36 -6.975 4.103 -18.630 1.00 1.00 N +ATOM 525 H ARG A 36 -3.592 4.700 -13.502 1.00 1.00 H +ATOM 526 HA ARG A 36 -4.639 2.881 -11.486 1.00 1.00 H +ATOM 527 HB2 ARG A 36 -3.786 1.556 -13.982 1.00 1.00 H +ATOM 528 HB3 ARG A 36 -5.268 1.345 -13.069 1.00 1.00 H +ATOM 529 HG2 ARG A 36 -6.338 3.200 -14.150 1.00 1.00 H +ATOM 530 HG3 ARG A 36 -4.822 3.835 -14.757 1.00 1.00 H +ATOM 531 HD2 ARG A 36 -4.681 1.481 -16.013 1.00 1.00 H +ATOM 532 HD3 ARG A 36 -6.413 1.459 -15.752 1.00 1.00 H +ATOM 533 HE ARG A 36 -4.932 3.544 -17.311 1.00 1.00 H +ATOM 534 HH11 ARG A 36 -7.945 1.954 -16.428 1.00 1.00 H +ATOM 535 HH12 ARG A 36 -8.873 2.746 -17.657 1.00 1.00 H +ATOM 536 HH21 ARG A 36 -6.157 4.591 -18.933 1.00 1.00 H +ATOM 537 HH22 ARG A 36 -7.849 4.256 -19.092 1.00 1.00 H +ATOM 538 N GLU A 37 -2.340 1.352 -11.957 1.00 1.00 N +ATOM 539 CA GLU A 37 -0.991 0.874 -11.710 1.00 1.00 C +ATOM 540 C GLU A 37 -0.825 -0.548 -12.250 1.00 1.00 C +ATOM 541 O GLU A 37 -1.684 -1.402 -12.031 1.00 1.00 O +ATOM 542 CB GLU A 37 -0.650 0.938 -10.219 1.00 1.00 C +ATOM 543 CG GLU A 37 -0.192 2.343 -9.821 1.00 1.00 C +ATOM 544 CD GLU A 37 0.966 2.281 -8.825 1.00 1.00 C +ATOM 545 OE1 GLU A 37 2.015 1.718 -9.208 1.00 1.00 O +ATOM 546 OE2 GLU A 37 0.778 2.796 -7.702 1.00 1.00 O +ATOM 547 H GLU A 37 -3.045 0.644 -11.966 1.00 1.00 H +ATOM 548 HA GLU A 37 -0.338 1.554 -12.256 1.00 1.00 H +ATOM 549 HB2 GLU A 37 -1.522 0.655 -9.631 1.00 1.00 H +ATOM 550 HB3 GLU A 37 0.136 0.217 -9.991 1.00 1.00 H +ATOM 551 HG2 GLU A 37 0.115 2.894 -10.710 1.00 1.00 H +ATOM 552 HG3 GLU A 37 -1.026 2.889 -9.381 1.00 1.00 H +ATOM 553 N SER A 38 0.283 -0.760 -12.943 1.00 1.00 N +ATOM 554 CA SER A 38 0.572 -2.063 -13.515 1.00 1.00 C +ATOM 555 C SER A 38 0.965 -3.044 -12.409 1.00 1.00 C +ATOM 556 O SER A 38 1.819 -2.739 -11.579 1.00 1.00 O +ATOM 557 CB SER A 38 1.681 -1.972 -14.564 1.00 1.00 C +ATOM 558 OG SER A 38 1.664 -0.725 -15.253 1.00 1.00 O +ATOM 559 H SER A 38 0.976 -0.060 -13.115 1.00 1.00 H +ATOM 560 HA SER A 38 -0.355 -2.379 -13.995 1.00 1.00 H +ATOM 561 HB2 SER A 38 2.650 -2.103 -14.079 1.00 1.00 H +ATOM 562 HB3 SER A 38 1.571 -2.785 -15.280 1.00 1.00 H +ATOM 563 HG SER A 38 2.599 -0.401 -15.400 1.00 1.00 H +ATOM 564 N GLU A 39 0.323 -4.203 -12.433 1.00 1.00 N +ATOM 565 CA GLU A 39 0.596 -5.231 -11.444 1.00 1.00 C +ATOM 566 C GLU A 39 1.408 -6.367 -12.069 1.00 1.00 C +ATOM 567 O GLU A 39 1.176 -7.538 -11.770 1.00 1.00 O +ATOM 568 CB GLU A 39 -0.703 -5.759 -10.829 1.00 1.00 C +ATOM 569 CG GLU A 39 -0.458 -6.317 -9.427 1.00 1.00 C +ATOM 570 CD GLU A 39 -1.077 -7.708 -9.274 1.00 1.00 C +ATOM 571 OE1 GLU A 39 -1.120 -8.425 -10.297 1.00 1.00 O +ATOM 572 OE2 GLU A 39 -1.493 -8.022 -8.139 1.00 1.00 O +ATOM 573 H GLU A 39 -0.370 -4.443 -13.114 1.00 1.00 H +ATOM 574 HA GLU A 39 1.183 -4.738 -10.670 1.00 1.00 H +ATOM 575 HB2 GLU A 39 -1.439 -4.957 -10.782 1.00 1.00 H +ATOM 576 HB3 GLU A 39 -1.121 -6.537 -11.467 1.00 1.00 H +ATOM 577 HG2 GLU A 39 0.614 -6.369 -9.233 1.00 1.00 H +ATOM 578 HG3 GLU A 39 -0.884 -5.642 -8.683 1.00 1.00 H +ATOM 579 N SER A 40 2.344 -5.983 -12.923 1.00 1.00 N +ATOM 580 CA SER A 40 3.192 -6.954 -13.593 1.00 1.00 C +ATOM 581 C SER A 40 4.077 -6.254 -14.624 1.00 1.00 C +ATOM 582 O SER A 40 4.282 -6.768 -15.723 1.00 1.00 O +ATOM 583 CB SER A 40 2.355 -8.047 -14.263 1.00 1.00 C +ATOM 584 OG SER A 40 1.275 -7.502 -15.018 1.00 1.00 O +ATOM 585 H SER A 40 2.526 -5.029 -13.160 1.00 1.00 H +ATOM 586 HA SER A 40 3.799 -7.398 -12.804 1.00 1.00 H +ATOM 587 HB2 SER A 40 2.993 -8.639 -14.920 1.00 1.00 H +ATOM 588 HB3 SER A 40 1.964 -8.722 -13.504 1.00 1.00 H +ATOM 589 HG SER A 40 1.522 -6.599 -15.367 1.00 1.00 H +ATOM 590 N SER A 41 4.578 -5.091 -14.235 1.00 1.00 N +ATOM 591 CA SER A 41 5.437 -4.313 -15.113 1.00 1.00 C +ATOM 592 C SER A 41 6.786 -4.063 -14.437 1.00 1.00 C +ATOM 593 O SER A 41 6.973 -4.405 -13.271 1.00 1.00 O +ATOM 594 CB SER A 41 4.779 -2.987 -15.493 1.00 1.00 C +ATOM 595 OG SER A 41 5.181 -1.925 -14.630 1.00 1.00 O +ATOM 596 H SER A 41 4.406 -4.679 -13.340 1.00 1.00 H +ATOM 597 HA SER A 41 5.564 -4.925 -16.007 1.00 1.00 H +ATOM 598 HB2 SER A 41 5.039 -2.735 -16.523 1.00 1.00 H +ATOM 599 HB3 SER A 41 3.695 -3.094 -15.456 1.00 1.00 H +ATOM 600 HG SER A 41 5.136 -2.226 -13.677 1.00 1.00 H +ATOM 601 N PRO A 42 7.717 -3.454 -15.220 1.00 1.00 N +ATOM 602 CA PRO A 42 9.044 -3.154 -14.709 1.00 1.00 C +ATOM 603 C PRO A 42 9.007 -1.955 -13.758 1.00 1.00 C +ATOM 604 O PRO A 42 10.043 -1.534 -13.246 1.00 1.00 O +ATOM 605 CB PRO A 42 9.893 -2.906 -15.945 1.00 1.00 C +ATOM 606 CG PRO A 42 8.916 -2.619 -17.072 1.00 1.00 C +ATOM 607 CD PRO A 42 7.531 -3.034 -16.606 1.00 1.00 C +ATOM 608 HA PRO A 42 9.389 -3.921 -14.169 1.00 1.00 H +ATOM 609 HB2 PRO A 42 10.571 -2.065 -15.791 1.00 1.00 H +ATOM 610 HB3 PRO A 42 10.511 -3.773 -16.174 1.00 1.00 H +ATOM 611 HG2 PRO A 42 8.929 -1.560 -17.330 1.00 1.00 H +ATOM 612 HG3 PRO A 42 9.197 -3.168 -17.971 1.00 1.00 H +ATOM 613 HD2 PRO A 42 6.823 -2.209 -16.678 1.00 1.00 H +ATOM 614 HD3 PRO A 42 7.135 -3.848 -17.216 1.00 1.00 H +ATOM 615 N GLY A 43 7.804 -1.440 -13.553 1.00 1.00 N +ATOM 616 CA GLY A 43 7.620 -0.299 -12.673 1.00 1.00 C +ATOM 617 C GLY A 43 6.940 0.857 -13.409 1.00 1.00 C +ATOM 618 O GLY A 43 7.390 1.999 -13.327 1.00 1.00 O +ATOM 619 H GLY A 43 6.967 -1.789 -13.973 1.00 1.00 H +ATOM 620 HA2 GLY A 43 7.016 -0.592 -11.814 1.00 1.00 H +ATOM 621 HA3 GLY A 43 8.585 0.028 -12.287 1.00 1.00 H +ATOM 622 N GLN A 44 5.869 0.521 -14.113 1.00 1.00 N +ATOM 623 CA GLN A 44 5.124 1.517 -14.864 1.00 1.00 C +ATOM 624 C GLN A 44 3.664 1.547 -14.403 1.00 1.00 C +ATOM 625 O GLN A 44 3.148 0.550 -13.900 1.00 1.00 O +ATOM 626 CB GLN A 44 5.218 1.255 -16.368 1.00 1.00 C +ATOM 627 CG GLN A 44 5.910 -0.081 -16.648 1.00 1.00 C +ATOM 628 CD GLN A 44 6.776 0.003 -17.907 1.00 1.00 C +ATOM 629 OE1 GLN A 44 7.947 0.342 -17.865 1.00 1.00 O +ATOM 630 NE2 GLN A 44 6.136 -0.323 -19.027 1.00 1.00 N +ATOM 631 H GLN A 44 5.509 -0.410 -14.174 1.00 1.00 H +ATOM 632 HA GLN A 44 5.602 2.470 -14.637 1.00 1.00 H +ATOM 633 HB2 GLN A 44 4.220 1.249 -16.803 1.00 1.00 H +ATOM 634 HB3 GLN A 44 5.772 2.061 -16.847 1.00 1.00 H +ATOM 635 HG2 GLN A 44 6.530 -0.361 -15.796 1.00 1.00 H +ATOM 636 HG3 GLN A 44 5.162 -0.865 -16.769 1.00 1.00 H +ATOM 637 HE21 GLN A 44 5.174 -0.592 -18.992 1.00 1.00 H +ATOM 638 HE22 GLN A 44 6.619 -0.299 -19.902 1.00 1.00 H +ATOM 639 N ARG A 45 3.041 2.701 -14.591 1.00 1.00 N +ATOM 640 CA ARG A 45 1.653 2.873 -14.202 1.00 1.00 C +ATOM 641 C ARG A 45 0.789 3.163 -15.431 1.00 1.00 C +ATOM 642 O ARG A 45 1.285 3.166 -16.556 1.00 1.00 O +ATOM 643 CB ARG A 45 1.501 4.018 -13.198 1.00 1.00 C +ATOM 644 CG ARG A 45 2.061 3.627 -11.830 1.00 1.00 C +ATOM 645 CD ARG A 45 3.571 3.870 -11.766 1.00 1.00 C +ATOM 646 NE ARG A 45 4.224 2.797 -10.984 1.00 1.00 N +ATOM 647 CZ ARG A 45 5.440 2.905 -10.429 1.00 1.00 C +ATOM 648 NH1 ARG A 45 6.141 4.037 -10.569 1.00 1.00 N +ATOM 649 NH2 ARG A 45 5.953 1.880 -9.735 1.00 1.00 N +ATOM 650 H ARG A 45 3.469 3.507 -15.001 1.00 1.00 H +ATOM 651 HA ARG A 45 1.372 1.926 -13.740 1.00 1.00 H +ATOM 652 HB2 ARG A 45 2.019 4.903 -13.568 1.00 1.00 H +ATOM 653 HB3 ARG A 45 0.447 4.283 -13.101 1.00 1.00 H +ATOM 654 HG2 ARG A 45 1.563 4.203 -11.050 1.00 1.00 H +ATOM 655 HG3 ARG A 45 1.851 2.575 -11.634 1.00 1.00 H +ATOM 656 HD2 ARG A 45 3.986 3.900 -12.775 1.00 1.00 H +ATOM 657 HD3 ARG A 45 3.773 4.838 -11.309 1.00 1.00 H +ATOM 658 HE ARG A 45 3.727 1.938 -10.860 1.00 1.00 H +ATOM 659 HH11 ARG A 45 5.759 4.803 -11.087 1.00 1.00 H +ATOM 660 HH12 ARG A 45 7.049 4.118 -10.155 1.00 1.00 H +ATOM 661 HH21 ARG A 45 5.429 1.035 -9.631 1.00 1.00 H +ATOM 662 HH22 ARG A 45 6.861 1.960 -9.322 1.00 1.00 H +ATOM 663 N SER A 46 -0.490 3.399 -15.174 1.00 1.00 N +ATOM 664 CA SER A 46 -1.427 3.690 -16.245 1.00 1.00 C +ATOM 665 C SER A 46 -2.282 4.904 -15.878 1.00 1.00 C +ATOM 666 O SER A 46 -2.392 5.257 -14.705 1.00 1.00 O +ATOM 667 CB SER A 46 -2.320 2.482 -16.538 1.00 1.00 C +ATOM 668 OG SER A 46 -2.239 1.497 -15.512 1.00 1.00 O +ATOM 669 H SER A 46 -0.886 3.395 -14.255 1.00 1.00 H +ATOM 670 HA SER A 46 -0.810 3.905 -17.118 1.00 1.00 H +ATOM 671 HB2 SER A 46 -3.354 2.812 -16.644 1.00 1.00 H +ATOM 672 HB3 SER A 46 -2.029 2.038 -17.490 1.00 1.00 H +ATOM 673 HG SER A 46 -1.337 1.066 -15.521 1.00 1.00 H +ATOM 674 N ILE A 47 -2.864 5.510 -16.903 1.00 1.00 N +ATOM 675 CA ILE A 47 -3.704 6.678 -16.703 1.00 1.00 C +ATOM 676 C ILE A 47 -5.046 6.462 -17.405 1.00 1.00 C +ATOM 677 O ILE A 47 -5.084 6.108 -18.583 1.00 1.00 O +ATOM 678 CB ILE A 47 -2.974 7.946 -17.149 1.00 1.00 C +ATOM 679 CG1 ILE A 47 -2.943 8.985 -16.024 1.00 1.00 C +ATOM 680 CG2 ILE A 47 -3.588 8.510 -18.432 1.00 1.00 C +ATOM 681 CD1 ILE A 47 -1.511 9.233 -15.548 1.00 1.00 C +ATOM 682 H ILE A 47 -2.767 5.217 -17.854 1.00 1.00 H +ATOM 683 HA ILE A 47 -3.886 6.770 -15.632 1.00 1.00 H +ATOM 684 HB ILE A 47 -1.941 7.684 -17.373 1.00 1.00 H +ATOM 685 HG12 ILE A 47 -3.380 9.919 -16.377 1.00 1.00 H +ATOM 686 HG13 ILE A 47 -3.554 8.640 -15.190 1.00 1.00 H +ATOM 687 HG21 ILE A 47 -4.670 8.580 -18.317 1.00 1.00 H +ATOM 688 HG22 ILE A 47 -3.178 9.501 -18.626 1.00 1.00 H +ATOM 689 HG23 ILE A 47 -3.353 7.850 -19.267 1.00 1.00 H +ATOM 690 HD11 ILE A 47 -0.810 8.890 -16.309 1.00 1.00 H +ATOM 691 HD12 ILE A 47 -1.366 10.299 -15.374 1.00 1.00 H +ATOM 692 HD13 ILE A 47 -1.336 8.686 -14.620 1.00 1.00 H +ATOM 693 N SER A 48 -6.115 6.682 -16.653 1.00 1.00 N +ATOM 694 CA SER A 48 -7.454 6.517 -17.189 1.00 1.00 C +ATOM 695 C SER A 48 -8.239 7.823 -17.049 1.00 1.00 C +ATOM 696 O SER A 48 -8.687 8.166 -15.957 1.00 1.00 O +ATOM 697 CB SER A 48 -8.191 5.375 -16.485 1.00 1.00 C +ATOM 698 OG SER A 48 -9.172 5.857 -15.571 1.00 1.00 O +ATOM 699 H SER A 48 -6.075 6.970 -15.696 1.00 1.00 H +ATOM 700 HA SER A 48 -7.315 6.264 -18.240 1.00 1.00 H +ATOM 701 HB2 SER A 48 -8.671 4.739 -17.229 1.00 1.00 H +ATOM 702 HB3 SER A 48 -7.471 4.753 -15.951 1.00 1.00 H +ATOM 703 HG SER A 48 -10.056 5.941 -16.031 1.00 1.00 H +ATOM 704 N LEU A 49 -8.384 8.512 -18.170 1.00 1.00 N +ATOM 705 CA LEU A 49 -9.107 9.772 -18.187 1.00 1.00 C +ATOM 706 C LEU A 49 -10.224 9.699 -19.229 1.00 1.00 C +ATOM 707 O LEU A 49 -9.989 9.307 -20.371 1.00 1.00 O +ATOM 708 CB LEU A 49 -8.143 10.940 -18.398 1.00 1.00 C +ATOM 709 CG LEU A 49 -7.353 10.929 -19.708 1.00 1.00 C +ATOM 710 CD1 LEU A 49 -6.582 12.238 -19.894 1.00 1.00 C +ATOM 711 CD2 LEU A 49 -6.435 9.709 -19.786 1.00 1.00 C +ATOM 712 H LEU A 49 -8.016 8.224 -19.055 1.00 1.00 H +ATOM 713 HA LEU A 49 -9.559 9.901 -17.203 1.00 1.00 H +ATOM 714 HB2 LEU A 49 -8.712 11.869 -18.348 1.00 1.00 H +ATOM 715 HB3 LEU A 49 -7.434 10.956 -17.570 1.00 1.00 H +ATOM 716 HG LEU A 49 -8.060 10.854 -20.533 1.00 1.00 H +ATOM 717 HD11 LEU A 49 -7.219 13.078 -19.619 1.00 1.00 H +ATOM 718 HD12 LEU A 49 -5.695 12.231 -19.258 1.00 1.00 H +ATOM 719 HD13 LEU A 49 -6.278 12.337 -20.938 1.00 1.00 H +ATOM 720 HD21 LEU A 49 -6.382 9.231 -18.806 1.00 1.00 H +ATOM 721 HD22 LEU A 49 -6.832 9.001 -20.513 1.00 1.00 H +ATOM 722 HD23 LEU A 49 -5.437 10.021 -20.091 1.00 1.00 H +ATOM 723 N ARG A 50 -11.416 10.087 -18.801 1.00 1.00 N +ATOM 724 CA ARG A 50 -12.571 10.070 -19.684 1.00 1.00 C +ATOM 725 C ARG A 50 -13.111 11.489 -19.875 1.00 1.00 C +ATOM 726 O ARG A 50 -12.943 12.345 -19.007 1.00 1.00 O +ATOM 727 CB ARG A 50 -13.681 9.180 -19.122 1.00 1.00 C +ATOM 728 CG ARG A 50 -15.056 9.816 -19.340 1.00 1.00 C +ATOM 729 CD ARG A 50 -16.174 8.810 -19.062 1.00 1.00 C +ATOM 730 NE ARG A 50 -17.435 9.271 -19.685 1.00 1.00 N +ATOM 731 CZ ARG A 50 -18.625 8.683 -19.497 1.00 1.00 C +ATOM 732 NH1 ARG A 50 -18.724 7.609 -18.702 1.00 1.00 N +ATOM 733 NH2 ARG A 50 -19.717 9.172 -20.102 1.00 1.00 N +ATOM 734 H ARG A 50 -11.599 10.406 -17.870 1.00 1.00 H +ATOM 735 HA ARG A 50 -12.198 9.662 -20.623 1.00 1.00 H +ATOM 736 HB2 ARG A 50 -13.648 8.203 -19.604 1.00 1.00 H +ATOM 737 HB3 ARG A 50 -13.517 9.016 -18.058 1.00 1.00 H +ATOM 738 HG2 ARG A 50 -15.168 10.680 -18.686 1.00 1.00 H +ATOM 739 HG3 ARG A 50 -15.134 10.179 -20.365 1.00 1.00 H +ATOM 740 HD2 ARG A 50 -15.901 7.832 -19.457 1.00 1.00 H +ATOM 741 HD3 ARG A 50 -16.312 8.692 -17.988 1.00 1.00 H +ATOM 742 HE ARG A 50 -17.398 10.070 -20.285 1.00 1.00 H +ATOM 743 HH11 ARG A 50 -17.909 7.246 -18.250 1.00 1.00 H +ATOM 744 HH12 ARG A 50 -19.612 7.171 -18.560 1.00 1.00 H +ATOM 745 HH21 ARG A 50 -19.643 9.973 -20.695 1.00 1.00 H +ATOM 746 HH22 ARG A 50 -20.604 8.733 -19.962 1.00 1.00 H +ATOM 747 N TYR A 51 -13.749 11.695 -21.017 1.00 1.00 N +ATOM 748 CA TYR A 51 -14.316 12.995 -21.335 1.00 1.00 C +ATOM 749 C TYR A 51 -15.712 12.850 -21.944 1.00 1.00 C +ATOM 750 O TYR A 51 -16.598 12.246 -21.341 1.00 1.00 O +ATOM 751 CB TYR A 51 -13.382 13.621 -22.373 1.00 1.00 C +ATOM 752 CG TYR A 51 -13.446 15.148 -22.427 1.00 1.00 C +ATOM 753 CD1 TYR A 51 -13.308 15.886 -21.269 1.00 1.00 C +ATOM 754 CD2 TYR A 51 -13.641 15.788 -23.634 1.00 1.00 C +ATOM 755 CE1 TYR A 51 -13.368 17.324 -21.319 1.00 1.00 C +ATOM 756 CE2 TYR A 51 -13.701 17.226 -23.685 1.00 1.00 C +ATOM 757 CZ TYR A 51 -13.562 17.924 -22.524 1.00 1.00 C +ATOM 758 OH TYR A 51 -13.618 19.281 -22.573 1.00 1.00 O +ATOM 759 H TYR A 51 -13.882 10.994 -21.719 1.00 1.00 H +ATOM 760 HA TYR A 51 -14.389 13.564 -20.409 1.00 1.00 H +ATOM 761 HB2 TYR A 51 -12.358 13.317 -22.154 1.00 1.00 H +ATOM 762 HB3 TYR A 51 -13.629 13.222 -23.356 1.00 1.00 H +ATOM 763 HD1 TYR A 51 -13.154 15.380 -20.316 1.00 1.00 H +ATOM 764 HD2 TYR A 51 -13.750 15.205 -24.548 1.00 1.00 H +ATOM 765 HE1 TYR A 51 -13.261 17.918 -20.412 1.00 1.00 H +ATOM 766 HE2 TYR A 51 -13.855 17.744 -24.630 1.00 1.00 H +ATOM 767 HH TYR A 51 -13.077 19.619 -23.343 1.00 1.00 H +ATOM 768 N GLU A 52 -15.865 13.418 -23.131 1.00 1.00 N +ATOM 769 CA GLU A 52 -17.139 13.360 -23.829 1.00 1.00 C +ATOM 770 C GLU A 52 -17.480 11.914 -24.193 1.00 1.00 C +ATOM 771 O GLU A 52 -16.985 11.387 -25.188 1.00 1.00 O +ATOM 772 CB GLU A 52 -17.124 14.250 -25.074 1.00 1.00 C +ATOM 773 CG GLU A 52 -15.957 13.885 -25.994 1.00 1.00 C +ATOM 774 CD GLU A 52 -16.086 14.586 -27.348 1.00 1.00 C +ATOM 775 OE1 GLU A 52 -16.904 14.103 -28.161 1.00 1.00 O +ATOM 776 OE2 GLU A 52 -15.364 15.589 -27.538 1.00 1.00 O +ATOM 777 H GLU A 52 -15.141 13.909 -23.614 1.00 1.00 H +ATOM 778 HA GLU A 52 -17.875 13.746 -23.123 1.00 1.00 H +ATOM 779 HB2 GLU A 52 -18.064 14.143 -25.614 1.00 1.00 H +ATOM 780 HB3 GLU A 52 -17.044 15.296 -24.777 1.00 1.00 H +ATOM 781 HG2 GLU A 52 -15.016 14.168 -25.523 1.00 1.00 H +ATOM 782 HG3 GLU A 52 -15.928 12.805 -26.140 1.00 1.00 H +ATOM 783 N GLY A 53 -18.325 11.312 -23.367 1.00 1.00 N +ATOM 784 CA GLY A 53 -18.737 9.937 -23.590 1.00 1.00 C +ATOM 785 C GLY A 53 -17.629 9.137 -24.279 1.00 1.00 C +ATOM 786 O GLY A 53 -17.882 8.434 -25.256 1.00 1.00 O +ATOM 787 H GLY A 53 -18.722 11.747 -22.561 1.00 1.00 H +ATOM 788 HA2 GLY A 53 -18.989 9.470 -22.638 1.00 1.00 H +ATOM 789 HA3 GLY A 53 -19.639 9.919 -24.203 1.00 1.00 H +ATOM 790 N ARG A 54 -16.425 9.271 -23.742 1.00 1.00 N +ATOM 791 CA ARG A 54 -15.278 8.569 -24.292 1.00 1.00 C +ATOM 792 C ARG A 54 -14.272 8.248 -23.186 1.00 1.00 C +ATOM 793 O ARG A 54 -14.417 8.711 -22.056 1.00 1.00 O +ATOM 794 CB ARG A 54 -14.588 9.404 -25.373 1.00 1.00 C +ATOM 795 CG ARG A 54 -13.472 10.261 -24.776 1.00 1.00 C +ATOM 796 CD ARG A 54 -13.561 11.704 -25.275 1.00 1.00 C +ATOM 797 NE ARG A 54 -13.496 11.732 -26.754 1.00 1.00 N +ATOM 798 CZ ARG A 54 -13.193 12.821 -27.472 1.00 1.00 C +ATOM 799 NH1 ARG A 54 -12.925 13.979 -26.853 1.00 1.00 N +ATOM 800 NH2 ARG A 54 -13.158 12.753 -28.811 1.00 1.00 N +ATOM 801 H ARG A 54 -16.229 9.844 -22.947 1.00 1.00 H +ATOM 802 HA ARG A 54 -15.690 7.657 -24.723 1.00 1.00 H +ATOM 803 HB2 ARG A 54 -14.177 8.744 -26.138 1.00 1.00 H +ATOM 804 HB3 ARG A 54 -15.320 10.044 -25.865 1.00 1.00 H +ATOM 805 HG2 ARG A 54 -13.538 10.244 -23.688 1.00 1.00 H +ATOM 806 HG3 ARG A 54 -12.502 9.840 -25.042 1.00 1.00 H +ATOM 807 HD2 ARG A 54 -14.492 12.158 -24.935 1.00 1.00 H +ATOM 808 HD3 ARG A 54 -12.747 12.294 -24.857 1.00 1.00 H +ATOM 809 HE ARG A 54 -13.691 10.884 -27.248 1.00 1.00 H +ATOM 810 HH11 ARG A 54 -12.952 14.029 -25.855 1.00 1.00 H +ATOM 811 HH12 ARG A 54 -12.699 14.792 -27.390 1.00 1.00 H +ATOM 812 HH21 ARG A 54 -13.358 11.890 -29.272 1.00 1.00 H +ATOM 813 HH22 ARG A 54 -12.932 13.568 -29.347 1.00 1.00 H +ATOM 814 N VAL A 55 -13.272 7.459 -23.550 1.00 1.00 N +ATOM 815 CA VAL A 55 -12.241 7.071 -22.602 1.00 1.00 C +ATOM 816 C VAL A 55 -10.869 7.188 -23.270 1.00 1.00 C +ATOM 817 O VAL A 55 -10.736 6.948 -24.469 1.00 1.00 O +ATOM 818 CB VAL A 55 -12.525 5.667 -22.065 1.00 1.00 C +ATOM 819 CG1 VAL A 55 -12.059 4.597 -23.054 1.00 1.00 C +ATOM 820 CG2 VAL A 55 -11.879 5.464 -20.692 1.00 1.00 C +ATOM 821 H VAL A 55 -13.159 7.087 -24.472 1.00 1.00 H +ATOM 822 HA VAL A 55 -12.284 7.767 -21.766 1.00 1.00 H +ATOM 823 HB VAL A 55 -13.604 5.566 -21.945 1.00 1.00 H +ATOM 824 HG11 VAL A 55 -11.948 5.040 -24.044 1.00 1.00 H +ATOM 825 HG12 VAL A 55 -11.101 4.192 -22.728 1.00 1.00 H +ATOM 826 HG13 VAL A 55 -12.797 3.794 -23.096 1.00 1.00 H +ATOM 827 HG21 VAL A 55 -11.598 6.431 -20.278 1.00 1.00 H +ATOM 828 HG22 VAL A 55 -12.589 4.974 -20.026 1.00 1.00 H +ATOM 829 HG23 VAL A 55 -10.991 4.841 -20.799 1.00 1.00 H +ATOM 830 N TYR A 56 -9.884 7.559 -22.465 1.00 1.00 N +ATOM 831 CA TYR A 56 -8.527 7.711 -22.964 1.00 1.00 C +ATOM 832 C TYR A 56 -7.558 6.808 -22.200 1.00 1.00 C +ATOM 833 O TYR A 56 -7.523 6.827 -20.971 1.00 1.00 O +ATOM 834 CB TYR A 56 -8.148 9.172 -22.714 1.00 1.00 C +ATOM 835 CG TYR A 56 -8.888 10.168 -23.609 1.00 1.00 C +ATOM 836 CD1 TYR A 56 -8.839 10.032 -24.982 1.00 1.00 C +ATOM 837 CD2 TYR A 56 -9.604 11.205 -23.045 1.00 1.00 C +ATOM 838 CE1 TYR A 56 -9.536 10.970 -25.826 1.00 1.00 C +ATOM 839 CE2 TYR A 56 -10.300 12.143 -23.887 1.00 1.00 C +ATOM 840 CZ TYR A 56 -10.232 11.978 -25.236 1.00 1.00 C +ATOM 841 OH TYR A 56 -10.889 12.864 -26.032 1.00 1.00 O +ATOM 842 H TYR A 56 -10.001 7.752 -21.492 1.00 1.00 H +ATOM 843 HA TYR A 56 -8.523 7.430 -24.017 1.00 1.00 H +ATOM 844 HB2 TYR A 56 -8.351 9.416 -21.671 1.00 1.00 H +ATOM 845 HB3 TYR A 56 -7.075 9.290 -22.867 1.00 1.00 H +ATOM 846 HD1 TYR A 56 -8.274 9.214 -25.429 1.00 1.00 H +ATOM 847 HD2 TYR A 56 -9.643 11.313 -21.961 1.00 1.00 H +ATOM 848 HE1 TYR A 56 -9.505 10.873 -26.910 1.00 1.00 H +ATOM 849 HE2 TYR A 56 -10.869 12.965 -23.454 1.00 1.00 H +ATOM 850 HH TYR A 56 -10.333 13.081 -26.834 1.00 1.00 H +ATOM 851 N HIS A 57 -6.793 6.038 -22.960 1.00 1.00 N +ATOM 852 CA HIS A 57 -5.825 5.129 -22.371 1.00 1.00 C +ATOM 853 C HIS A 57 -4.408 5.614 -22.683 1.00 1.00 C +ATOM 854 O HIS A 57 -3.945 5.498 -23.817 1.00 1.00 O +ATOM 855 CB HIS A 57 -6.077 3.693 -22.834 1.00 1.00 C +ATOM 856 CG HIS A 57 -7.488 3.209 -22.598 1.00 1.00 C +ATOM 857 ND1 HIS A 57 -7.992 2.958 -21.333 1.00 1.00 N +ATOM 858 CD2 HIS A 57 -8.494 2.933 -23.475 1.00 1.00 C +ATOM 859 CE1 HIS A 57 -9.247 2.550 -21.457 1.00 1.00 C +ATOM 860 NE2 HIS A 57 -9.555 2.535 -22.786 1.00 1.00 N +ATOM 861 H HIS A 57 -6.827 6.028 -23.959 1.00 1.00 H +ATOM 862 HA HIS A 57 -5.982 5.162 -21.292 1.00 1.00 H +ATOM 863 HB2 HIS A 57 -5.852 3.620 -23.898 1.00 1.00 H +ATOM 864 HB3 HIS A 57 -5.384 3.028 -22.316 1.00 1.00 H +ATOM 865 HD1 HIS A 57 -7.494 3.067 -20.473 1.00 1.00 H +ATOM 866 HD2 HIS A 57 -8.435 3.024 -24.560 1.00 1.00 H +ATOM 867 HE1 HIS A 57 -9.914 2.275 -20.641 1.00 1.00 H +ATOM 868 N TYR A 58 -3.760 6.148 -21.658 1.00 1.00 N +ATOM 869 CA TYR A 58 -2.406 6.650 -21.810 1.00 1.00 C +ATOM 870 C TYR A 58 -1.442 5.922 -20.872 1.00 1.00 C +ATOM 871 O TYR A 58 -1.466 6.138 -19.660 1.00 1.00 O +ATOM 872 CB TYR A 58 -2.458 8.129 -21.419 1.00 1.00 C +ATOM 873 CG TYR A 58 -1.964 9.080 -22.511 1.00 1.00 C +ATOM 874 CD1 TYR A 58 -0.636 9.065 -22.890 1.00 1.00 C +ATOM 875 CD2 TYR A 58 -2.844 9.952 -23.116 1.00 1.00 C +ATOM 876 CE1 TYR A 58 -0.172 9.959 -23.917 1.00 1.00 C +ATOM 877 CE2 TYR A 58 -2.378 10.847 -24.143 1.00 1.00 C +ATOM 878 CZ TYR A 58 -1.065 10.807 -24.494 1.00 1.00 C +ATOM 879 OH TYR A 58 -0.625 11.650 -25.465 1.00 1.00 O +ATOM 880 H TYR A 58 -4.145 6.239 -20.740 1.00 1.00 H +ATOM 881 HA TYR A 58 -2.096 6.479 -22.840 1.00 1.00 H +ATOM 882 HB2 TYR A 58 -3.485 8.389 -21.163 1.00 1.00 H +ATOM 883 HB3 TYR A 58 -1.858 8.279 -20.521 1.00 1.00 H +ATOM 884 HD1 TYR A 58 0.058 8.374 -22.410 1.00 1.00 H +ATOM 885 HD2 TYR A 58 -3.892 9.964 -22.817 1.00 1.00 H +ATOM 886 HE1 TYR A 58 0.875 9.958 -24.226 1.00 1.00 H +ATOM 887 HE2 TYR A 58 -3.064 11.541 -24.632 1.00 1.00 H +ATOM 888 HH TYR A 58 -0.006 11.168 -26.083 1.00 1.00 H +ATOM 889 N ARG A 59 -0.617 5.072 -21.466 1.00 1.00 N +ATOM 890 CA ARG A 59 0.354 4.310 -20.700 1.00 1.00 C +ATOM 891 C ARG A 59 1.454 5.232 -20.170 1.00 1.00 C +ATOM 892 O ARG A 59 1.850 6.183 -20.842 1.00 1.00 O +ATOM 893 CB ARG A 59 0.986 3.208 -21.551 1.00 1.00 C +ATOM 894 CG ARG A 59 0.493 1.826 -21.117 1.00 1.00 C +ATOM 895 CD ARG A 59 1.667 0.907 -20.776 1.00 1.00 C +ATOM 896 NE ARG A 59 1.244 -0.509 -20.870 1.00 1.00 N +ATOM 897 CZ ARG A 59 1.817 -1.510 -20.189 1.00 1.00 C +ATOM 898 NH1 ARG A 59 2.841 -1.259 -19.360 1.00 1.00 N +ATOM 899 NH2 ARG A 59 1.367 -2.764 -20.335 1.00 1.00 N +ATOM 900 H ARG A 59 -0.604 4.902 -22.452 1.00 1.00 H +ATOM 901 HA ARG A 59 -0.220 3.873 -19.881 1.00 1.00 H +ATOM 902 HB2 ARG A 59 0.744 3.372 -22.602 1.00 1.00 H +ATOM 903 HB3 ARG A 59 2.072 3.254 -21.464 1.00 1.00 H +ATOM 904 HG2 ARG A 59 -0.159 1.927 -20.250 1.00 1.00 H +ATOM 905 HG3 ARG A 59 -0.103 1.383 -21.914 1.00 1.00 H +ATOM 906 HD2 ARG A 59 2.495 1.093 -21.460 1.00 1.00 H +ATOM 907 HD3 ARG A 59 2.028 1.121 -19.771 1.00 1.00 H +ATOM 908 HE ARG A 59 0.483 -0.731 -21.479 1.00 1.00 H +ATOM 909 HH11 ARG A 59 3.176 -0.322 -19.251 1.00 1.00 H +ATOM 910 HH12 ARG A 59 3.267 -2.006 -18.852 1.00 1.00 H +ATOM 911 HH21 ARG A 59 0.604 -2.952 -20.953 1.00 1.00 H +ATOM 912 HH22 ARG A 59 1.795 -3.511 -19.827 1.00 1.00 H +ATOM 913 N ILE A 60 1.918 4.918 -18.969 1.00 1.00 N +ATOM 914 CA ILE A 60 2.965 5.706 -18.342 1.00 1.00 C +ATOM 915 C ILE A 60 4.316 5.329 -18.953 1.00 1.00 C +ATOM 916 O ILE A 60 4.894 4.301 -18.606 1.00 1.00 O +ATOM 917 CB ILE A 60 2.914 5.551 -16.821 1.00 1.00 C +ATOM 918 CG1 ILE A 60 1.497 5.781 -16.293 1.00 1.00 C +ATOM 919 CG2 ILE A 60 3.935 6.466 -16.141 1.00 1.00 C +ATOM 920 CD1 ILE A 60 1.115 7.260 -16.377 1.00 1.00 C +ATOM 921 H ILE A 60 1.592 4.143 -18.429 1.00 1.00 H +ATOM 922 HA ILE A 60 2.764 6.753 -18.565 1.00 1.00 H +ATOM 923 HB ILE A 60 3.187 4.524 -16.572 1.00 1.00 H +ATOM 924 HG12 ILE A 60 0.789 5.186 -16.870 1.00 1.00 H +ATOM 925 HG13 ILE A 60 1.431 5.443 -15.259 1.00 1.00 H +ATOM 926 HG21 ILE A 60 3.747 7.499 -16.434 1.00 1.00 H +ATOM 927 HG22 ILE A 60 3.844 6.372 -15.059 1.00 1.00 H +ATOM 928 HG23 ILE A 60 4.941 6.179 -16.448 1.00 1.00 H +ATOM 929 HD11 ILE A 60 1.957 7.831 -16.769 1.00 1.00 H +ATOM 930 HD12 ILE A 60 0.257 7.377 -17.039 1.00 1.00 H +ATOM 931 HD13 ILE A 60 0.858 7.626 -15.382 1.00 1.00 H +ATOM 932 N ASN A 61 4.781 6.184 -19.853 1.00 1.00 N +ATOM 933 CA ASN A 61 6.054 5.954 -20.516 1.00 1.00 C +ATOM 934 C ASN A 61 7.193 6.362 -19.579 1.00 1.00 C +ATOM 935 O ASN A 61 7.034 7.264 -18.758 1.00 1.00 O +ATOM 936 CB ASN A 61 6.168 6.792 -21.792 1.00 1.00 C +ATOM 937 CG ASN A 61 4.815 6.909 -22.494 1.00 1.00 C +ATOM 938 OD1 ASN A 61 3.906 6.124 -22.281 1.00 1.00 O +ATOM 939 ND2 ASN A 61 4.732 7.932 -23.340 1.00 1.00 N +ATOM 940 H ASN A 61 4.306 7.019 -20.129 1.00 1.00 H +ATOM 941 HA ASN A 61 6.066 4.890 -20.750 1.00 1.00 H +ATOM 942 HB2 ASN A 61 6.543 7.785 -21.546 1.00 1.00 H +ATOM 943 HB3 ASN A 61 6.893 6.336 -22.466 1.00 1.00 H +ATOM 944 HD21 ASN A 61 5.515 8.540 -23.469 1.00 1.00 H +ATOM 945 HD22 ASN A 61 3.885 8.093 -23.848 1.00 1.00 H +ATOM 946 N THR A 62 8.316 5.676 -19.733 1.00 1.00 N +ATOM 947 CA THR A 62 9.481 5.955 -18.911 1.00 1.00 C +ATOM 948 C THR A 62 10.599 6.565 -19.760 1.00 1.00 C +ATOM 949 O THR A 62 10.645 6.360 -20.973 1.00 1.00 O +ATOM 950 CB THR A 62 9.889 4.656 -18.212 1.00 1.00 C +ATOM 951 OG1 THR A 62 8.723 4.272 -17.488 1.00 1.00 O +ATOM 952 CG2 THR A 62 10.943 4.882 -17.126 1.00 1.00 C +ATOM 953 H THR A 62 8.437 4.944 -20.404 1.00 1.00 H +ATOM 954 HA THR A 62 9.206 6.699 -18.164 1.00 1.00 H +ATOM 955 HB THR A 62 10.227 3.915 -18.936 1.00 1.00 H +ATOM 956 HG1 THR A 62 8.240 5.084 -17.161 1.00 1.00 H +ATOM 957 HG21 THR A 62 10.657 5.735 -16.513 1.00 1.00 H +ATOM 958 HG22 THR A 62 11.017 3.992 -16.502 1.00 1.00 H +ATOM 959 HG23 THR A 62 11.909 5.078 -17.594 1.00 1.00 H +ATOM 960 N ALA A 63 11.473 7.302 -19.090 1.00 1.00 N +ATOM 961 CA ALA A 63 12.588 7.942 -19.767 1.00 1.00 C +ATOM 962 C ALA A 63 13.760 6.962 -19.849 1.00 1.00 C +ATOM 963 O ALA A 63 14.898 7.326 -19.557 1.00 1.00 O +ATOM 964 CB ALA A 63 12.957 9.234 -19.034 1.00 1.00 C +ATOM 965 H ALA A 63 11.429 7.462 -18.103 1.00 1.00 H +ATOM 966 HA ALA A 63 12.262 8.192 -20.777 1.00 1.00 H +ATOM 967 HB1 ALA A 63 12.109 9.565 -18.433 1.00 1.00 H +ATOM 968 HB2 ALA A 63 13.813 9.050 -18.384 1.00 1.00 H +ATOM 969 HB3 ALA A 63 13.210 10.005 -19.761 1.00 1.00 H +ATOM 970 N SER A 64 13.441 5.741 -20.248 1.00 1.00 N +ATOM 971 CA SER A 64 14.454 4.706 -20.371 1.00 1.00 C +ATOM 972 C SER A 64 15.505 4.868 -19.272 1.00 1.00 C +ATOM 973 O SER A 64 16.685 4.593 -19.490 1.00 1.00 O +ATOM 974 CB SER A 64 15.117 4.746 -21.751 1.00 1.00 C +ATOM 975 OG SER A 64 14.367 4.027 -22.724 1.00 1.00 O +ATOM 976 H SER A 64 12.513 5.453 -20.483 1.00 1.00 H +ATOM 977 HA SER A 64 13.920 3.762 -20.253 1.00 1.00 H +ATOM 978 HB2 SER A 64 15.225 5.782 -22.068 1.00 1.00 H +ATOM 979 HB3 SER A 64 16.120 4.326 -21.683 1.00 1.00 H +ATOM 980 HG SER A 64 13.508 3.705 -22.327 1.00 1.00 H +ATOM 981 N ASP A 65 15.041 5.315 -18.115 1.00 1.00 N +ATOM 982 CA ASP A 65 15.927 5.517 -16.981 1.00 1.00 C +ATOM 983 C ASP A 65 15.151 5.277 -15.683 1.00 1.00 C +ATOM 984 O ASP A 65 15.577 4.489 -14.839 1.00 1.00 O +ATOM 985 CB ASP A 65 16.465 6.949 -16.951 1.00 1.00 C +ATOM 986 CG ASP A 65 17.635 7.220 -17.898 1.00 1.00 C +ATOM 987 OD1 ASP A 65 18.604 6.434 -17.842 1.00 1.00 O +ATOM 988 OD2 ASP A 65 17.533 8.210 -18.657 1.00 1.00 O +ATOM 989 H ASP A 65 14.081 5.536 -17.945 1.00 1.00 H +ATOM 990 HA ASP A 65 16.739 4.804 -17.120 1.00 1.00 H +ATOM 991 HB2 ASP A 65 15.651 7.632 -17.196 1.00 1.00 H +ATOM 992 HB3 ASP A 65 16.778 7.182 -15.933 1.00 1.00 H +ATOM 993 N GLY A 66 14.027 5.967 -15.566 1.00 1.00 N +ATOM 994 CA GLY A 66 13.188 5.839 -14.388 1.00 1.00 C +ATOM 995 C GLY A 66 12.012 6.815 -14.442 1.00 1.00 C +ATOM 996 O GLY A 66 10.860 6.413 -14.283 1.00 1.00 O +ATOM 997 H GLY A 66 13.688 6.605 -16.258 1.00 1.00 H +ATOM 998 HA2 GLY A 66 12.816 4.817 -14.312 1.00 1.00 H +ATOM 999 HA3 GLY A 66 13.781 6.027 -13.492 1.00 1.00 H +ATOM 1000 N LYS A 67 12.342 8.078 -14.666 1.00 1.00 N +ATOM 1001 CA LYS A 67 11.327 9.114 -14.743 1.00 1.00 C +ATOM 1002 C LYS A 67 10.162 8.618 -15.603 1.00 1.00 C +ATOM 1003 O LYS A 67 10.369 7.912 -16.589 1.00 1.00 O +ATOM 1004 CB LYS A 67 11.938 10.428 -15.236 1.00 1.00 C +ATOM 1005 CG LYS A 67 13.092 10.166 -16.206 1.00 1.00 C +ATOM 1006 CD LYS A 67 14.444 10.353 -15.514 1.00 1.00 C +ATOM 1007 CE LYS A 67 14.939 11.793 -15.660 1.00 1.00 C +ATOM 1008 NZ LYS A 67 16.300 11.932 -15.097 1.00 1.00 N +ATOM 1009 H LYS A 67 13.282 8.396 -14.795 1.00 1.00 H +ATOM 1010 HA LYS A 67 10.959 9.288 -13.732 1.00 1.00 H +ATOM 1011 HB2 LYS A 67 11.173 11.027 -15.729 1.00 1.00 H +ATOM 1012 HB3 LYS A 67 12.297 11.006 -14.385 1.00 1.00 H +ATOM 1013 HG2 LYS A 67 13.018 9.151 -16.598 1.00 1.00 H +ATOM 1014 HG3 LYS A 67 13.018 10.844 -17.056 1.00 1.00 H +ATOM 1015 HD2 LYS A 67 14.353 10.101 -14.457 1.00 1.00 H +ATOM 1016 HD3 LYS A 67 15.174 9.667 -15.943 1.00 1.00 H +ATOM 1017 HE2 LYS A 67 14.944 12.076 -16.712 1.00 1.00 H +ATOM 1018 HE3 LYS A 67 14.257 12.472 -15.150 1.00 1.00 H +ATOM 1019 HZ1 LYS A 67 16.533 11.109 -14.578 1.00 1.00 H +ATOM 1020 HZ2 LYS A 67 16.957 12.055 -15.840 1.00 1.00 H +ATOM 1021 HZ3 LYS A 67 16.330 12.727 -14.490 1.00 1.00 H +ATOM 1022 N LEU A 68 8.962 9.006 -15.198 1.00 1.00 N +ATOM 1023 CA LEU A 68 7.764 8.609 -15.918 1.00 1.00 C +ATOM 1024 C LEU A 68 7.148 9.838 -16.590 1.00 1.00 C +ATOM 1025 O LEU A 68 6.535 10.672 -15.926 1.00 1.00 O +ATOM 1026 CB LEU A 68 6.800 7.870 -14.989 1.00 1.00 C +ATOM 1027 CG LEU A 68 7.258 6.491 -14.507 1.00 1.00 C +ATOM 1028 CD1 LEU A 68 8.292 6.616 -13.386 1.00 1.00 C +ATOM 1029 CD2 LEU A 68 6.063 5.630 -14.090 1.00 1.00 C +ATOM 1030 H LEU A 68 8.801 9.580 -14.394 1.00 1.00 H +ATOM 1031 HA LEU A 68 8.067 7.907 -16.693 1.00 1.00 H +ATOM 1032 HB2 LEU A 68 6.616 8.494 -14.115 1.00 1.00 H +ATOM 1033 HB3 LEU A 68 5.846 7.754 -15.503 1.00 1.00 H +ATOM 1034 HG LEU A 68 7.746 5.983 -15.339 1.00 1.00 H +ATOM 1035 HD11 LEU A 68 9.027 7.375 -13.654 1.00 1.00 H +ATOM 1036 HD12 LEU A 68 7.791 6.904 -12.462 1.00 1.00 H +ATOM 1037 HD13 LEU A 68 8.793 5.660 -13.246 1.00 1.00 H +ATOM 1038 HD21 LEU A 68 5.257 6.274 -13.735 1.00 1.00 H +ATOM 1039 HD22 LEU A 68 5.714 5.053 -14.947 1.00 1.00 H +ATOM 1040 HD23 LEU A 68 6.363 4.952 -13.292 1.00 1.00 H +ATOM 1041 N TYR A 69 7.332 9.911 -17.900 1.00 1.00 N +ATOM 1042 CA TYR A 69 6.802 11.024 -18.669 1.00 1.00 C +ATOM 1043 C TYR A 69 5.759 10.544 -19.681 1.00 1.00 C +ATOM 1044 O TYR A 69 5.755 9.377 -20.069 1.00 1.00 O +ATOM 1045 CB TYR A 69 7.991 11.617 -19.427 1.00 1.00 C +ATOM 1046 CG TYR A 69 8.385 10.836 -20.682 1.00 1.00 C +ATOM 1047 CD1 TYR A 69 7.503 10.742 -21.741 1.00 1.00 C +ATOM 1048 CD2 TYR A 69 9.619 10.223 -20.757 1.00 1.00 C +ATOM 1049 CE1 TYR A 69 7.872 10.007 -22.922 1.00 1.00 C +ATOM 1050 CE2 TYR A 69 9.987 9.487 -21.938 1.00 1.00 C +ATOM 1051 CZ TYR A 69 9.096 9.416 -22.963 1.00 1.00 C +ATOM 1052 OH TYR A 69 9.444 8.721 -24.079 1.00 1.00 O +ATOM 1053 H TYR A 69 7.831 9.228 -18.434 1.00 1.00 H +ATOM 1054 HA TYR A 69 6.332 11.719 -17.975 1.00 1.00 H +ATOM 1055 HB2 TYR A 69 7.755 12.643 -19.709 1.00 1.00 H +ATOM 1056 HB3 TYR A 69 8.851 11.661 -18.757 1.00 1.00 H +ATOM 1057 HD1 TYR A 69 6.528 11.227 -21.682 1.00 1.00 H +ATOM 1058 HD2 TYR A 69 10.315 10.296 -19.922 1.00 1.00 H +ATOM 1059 HE1 TYR A 69 7.186 9.926 -23.765 1.00 1.00 H +ATOM 1060 HE2 TYR A 69 10.959 8.999 -22.010 1.00 1.00 H +ATOM 1061 HH TYR A 69 8.824 8.947 -24.830 1.00 1.00 H +ATOM 1062 N VAL A 70 4.897 11.469 -20.078 1.00 1.00 N +ATOM 1063 CA VAL A 70 3.851 11.155 -21.036 1.00 1.00 C +ATOM 1064 C VAL A 70 4.168 11.833 -22.371 1.00 1.00 C +ATOM 1065 O VAL A 70 3.856 11.295 -23.433 1.00 1.00 O +ATOM 1066 CB VAL A 70 2.487 11.556 -20.471 1.00 1.00 C +ATOM 1067 CG1 VAL A 70 1.360 11.170 -21.432 1.00 1.00 C +ATOM 1068 CG2 VAL A 70 2.263 10.940 -19.088 1.00 1.00 C +ATOM 1069 H VAL A 70 4.907 12.415 -19.758 1.00 1.00 H +ATOM 1070 HA VAL A 70 3.851 10.075 -21.181 1.00 1.00 H +ATOM 1071 HB VAL A 70 2.477 12.641 -20.360 1.00 1.00 H +ATOM 1072 HG11 VAL A 70 1.693 10.352 -22.070 1.00 1.00 H +ATOM 1073 HG12 VAL A 70 0.487 10.856 -20.861 1.00 1.00 H +ATOM 1074 HG13 VAL A 70 1.099 12.029 -22.049 1.00 1.00 H +ATOM 1075 HG21 VAL A 70 2.624 9.912 -19.086 1.00 1.00 H +ATOM 1076 HG22 VAL A 70 2.809 11.517 -18.341 1.00 1.00 H +ATOM 1077 HG23 VAL A 70 1.199 10.954 -18.853 1.00 1.00 H +ATOM 1078 N SER A 71 4.784 13.001 -22.274 1.00 1.00 N +ATOM 1079 CA SER A 71 5.146 13.757 -23.460 1.00 1.00 C +ATOM 1080 C SER A 71 6.660 13.980 -23.497 1.00 1.00 C +ATOM 1081 O SER A 71 7.181 14.573 -24.440 1.00 1.00 O +ATOM 1082 CB SER A 71 4.412 15.098 -23.505 1.00 1.00 C +ATOM 1083 OG SER A 71 4.591 15.763 -24.753 1.00 1.00 O +ATOM 1084 H SER A 71 5.034 13.430 -21.406 1.00 1.00 H +ATOM 1085 HA SER A 71 4.831 13.141 -24.302 1.00 1.00 H +ATOM 1086 HB2 SER A 71 3.349 14.934 -23.331 1.00 1.00 H +ATOM 1087 HB3 SER A 71 4.771 15.735 -22.698 1.00 1.00 H +ATOM 1088 HG SER A 71 5.543 15.688 -25.047 1.00 1.00 H +ATOM 1089 N SER A 72 7.323 13.491 -22.459 1.00 1.00 N +ATOM 1090 CA SER A 72 8.766 13.631 -22.361 1.00 1.00 C +ATOM 1091 C SER A 72 9.117 14.891 -21.569 1.00 1.00 C +ATOM 1092 O SER A 72 9.908 14.838 -20.629 1.00 1.00 O +ATOM 1093 CB SER A 72 9.411 13.677 -23.747 1.00 1.00 C +ATOM 1094 OG SER A 72 9.570 15.013 -24.217 1.00 1.00 O +ATOM 1095 H SER A 72 6.891 13.010 -21.696 1.00 1.00 H +ATOM 1096 HA SER A 72 9.105 12.740 -21.831 1.00 1.00 H +ATOM 1097 HB2 SER A 72 10.385 13.188 -23.711 1.00 1.00 H +ATOM 1098 HB3 SER A 72 8.798 13.115 -24.451 1.00 1.00 H +ATOM 1099 HG SER A 72 9.899 15.006 -25.161 1.00 1.00 H +ATOM 1100 N GLU A 73 8.512 15.997 -21.979 1.00 1.00 N +ATOM 1101 CA GLU A 73 8.752 17.269 -21.319 1.00 1.00 C +ATOM 1102 C GLU A 73 8.034 17.311 -19.969 1.00 1.00 C +ATOM 1103 O GLU A 73 8.121 18.301 -19.245 1.00 1.00 O +ATOM 1104 CB GLU A 73 8.318 18.437 -22.207 1.00 1.00 C +ATOM 1105 CG GLU A 73 9.384 19.533 -22.230 1.00 1.00 C +ATOM 1106 CD GLU A 73 9.139 20.511 -23.381 1.00 1.00 C +ATOM 1107 OE1 GLU A 73 7.951 20.704 -23.720 1.00 1.00 O +ATOM 1108 OE2 GLU A 73 10.146 21.044 -23.897 1.00 1.00 O +ATOM 1109 H GLU A 73 7.871 16.032 -22.743 1.00 1.00 H +ATOM 1110 HA GLU A 73 9.831 17.318 -21.166 1.00 1.00 H +ATOM 1111 HB2 GLU A 73 8.136 18.079 -23.221 1.00 1.00 H +ATOM 1112 HB3 GLU A 73 7.377 18.847 -21.840 1.00 1.00 H +ATOM 1113 HG2 GLU A 73 9.378 20.073 -21.284 1.00 1.00 H +ATOM 1114 HG3 GLU A 73 10.371 19.085 -22.334 1.00 1.00 H +ATOM 1115 N SER A 74 7.340 16.221 -19.669 1.00 1.00 N +ATOM 1116 CA SER A 74 6.609 16.121 -18.418 1.00 1.00 C +ATOM 1117 C SER A 74 6.893 14.774 -17.751 1.00 1.00 C +ATOM 1118 O SER A 74 6.045 13.884 -17.757 1.00 1.00 O +ATOM 1119 CB SER A 74 5.104 16.293 -18.645 1.00 1.00 C +ATOM 1120 OG SER A 74 4.626 15.465 -19.701 1.00 1.00 O +ATOM 1121 H SER A 74 7.274 15.420 -20.263 1.00 1.00 H +ATOM 1122 HA SER A 74 6.978 16.941 -17.802 1.00 1.00 H +ATOM 1123 HB2 SER A 74 4.571 16.055 -17.726 1.00 1.00 H +ATOM 1124 HB3 SER A 74 4.890 17.337 -18.877 1.00 1.00 H +ATOM 1125 HG SER A 74 4.006 15.985 -20.288 1.00 1.00 H +ATOM 1126 N ARG A 75 8.091 14.668 -17.194 1.00 1.00 N +ATOM 1127 CA ARG A 75 8.499 13.444 -16.525 1.00 1.00 C +ATOM 1128 C ARG A 75 8.182 13.527 -15.030 1.00 1.00 C +ATOM 1129 O ARG A 75 8.355 14.576 -14.411 1.00 1.00 O +ATOM 1130 CB ARG A 75 9.995 13.189 -16.708 1.00 1.00 C +ATOM 1131 CG ARG A 75 10.608 14.196 -17.683 1.00 1.00 C +ATOM 1132 CD ARG A 75 11.913 13.661 -18.277 1.00 1.00 C +ATOM 1133 NE ARG A 75 12.614 14.737 -19.014 1.00 1.00 N +ATOM 1134 CZ ARG A 75 13.932 14.746 -19.255 1.00 1.00 C +ATOM 1135 NH1 ARG A 75 14.700 13.738 -18.821 1.00 1.00 N +ATOM 1136 NH2 ARG A 75 14.480 15.765 -19.931 1.00 1.00 N +ATOM 1137 H ARG A 75 8.775 15.398 -17.194 1.00 1.00 H +ATOM 1138 HA ARG A 75 7.919 12.657 -17.005 1.00 1.00 H +ATOM 1139 HB2 ARG A 75 10.501 13.257 -15.745 1.00 1.00 H +ATOM 1140 HB3 ARG A 75 10.153 12.176 -17.079 1.00 1.00 H +ATOM 1141 HG2 ARG A 75 9.900 14.409 -18.485 1.00 1.00 H +ATOM 1142 HG3 ARG A 75 10.798 15.138 -17.168 1.00 1.00 H +ATOM 1143 HD2 ARG A 75 12.553 13.276 -17.483 1.00 1.00 H +ATOM 1144 HD3 ARG A 75 11.702 12.828 -18.949 1.00 1.00 H +ATOM 1145 HE ARG A 75 12.069 15.505 -19.351 1.00 1.00 H +ATOM 1146 HH11 ARG A 75 14.290 12.978 -18.317 1.00 1.00 H +ATOM 1147 HH12 ARG A 75 15.684 13.746 -19.001 1.00 1.00 H +ATOM 1148 HH21 ARG A 75 13.907 16.517 -20.254 1.00 1.00 H +ATOM 1149 HH22 ARG A 75 15.464 15.772 -20.112 1.00 1.00 H +ATOM 1150 N PHE A 76 7.724 12.406 -14.491 1.00 1.00 N +ATOM 1151 CA PHE A 76 7.382 12.338 -13.082 1.00 1.00 C +ATOM 1152 C PHE A 76 7.842 11.013 -12.469 1.00 1.00 C +ATOM 1153 O PHE A 76 7.892 9.992 -13.154 1.00 1.00 O +ATOM 1154 CB PHE A 76 5.858 12.429 -12.985 1.00 1.00 C +ATOM 1155 CG PHE A 76 5.248 13.553 -13.824 1.00 1.00 C +ATOM 1156 CD1 PHE A 76 5.221 14.824 -13.339 1.00 1.00 C +ATOM 1157 CD2 PHE A 76 4.733 13.283 -15.054 1.00 1.00 C +ATOM 1158 CE1 PHE A 76 4.654 15.869 -14.117 1.00 1.00 C +ATOM 1159 CE2 PHE A 76 4.167 14.329 -15.831 1.00 1.00 C +ATOM 1160 CZ PHE A 76 4.139 15.599 -15.346 1.00 1.00 C +ATOM 1161 H PHE A 76 7.586 11.556 -15.002 1.00 1.00 H +ATOM 1162 HA PHE A 76 7.894 13.162 -12.584 1.00 1.00 H +ATOM 1163 HB2 PHE A 76 5.427 11.479 -13.302 1.00 1.00 H +ATOM 1164 HB3 PHE A 76 5.578 12.574 -11.943 1.00 1.00 H +ATOM 1165 HD1 PHE A 76 5.633 15.040 -12.354 1.00 1.00 H +ATOM 1166 HD2 PHE A 76 4.755 12.266 -15.442 1.00 1.00 H +ATOM 1167 HE1 PHE A 76 4.633 16.888 -13.728 1.00 1.00 H +ATOM 1168 HE2 PHE A 76 3.755 14.113 -16.817 1.00 1.00 H +ATOM 1169 HZ PHE A 76 3.705 16.402 -15.943 1.00 1.00 H +ATOM 1170 N ASN A 77 8.166 11.072 -11.186 1.00 1.00 N +ATOM 1171 CA ASN A 77 8.619 9.890 -10.473 1.00 1.00 C +ATOM 1172 C ASN A 77 7.415 9.186 -9.843 1.00 1.00 C +ATOM 1173 O ASN A 77 7.464 7.987 -9.574 1.00 1.00 O +ATOM 1174 CB ASN A 77 9.591 10.261 -9.350 1.00 1.00 C +ATOM 1175 CG ASN A 77 11.031 10.297 -9.862 1.00 1.00 C +ATOM 1176 OD1 ASN A 77 11.400 9.619 -10.806 1.00 1.00 O +ATOM 1177 ND2 ASN A 77 11.824 11.126 -9.188 1.00 1.00 N +ATOM 1178 H ASN A 77 8.122 11.906 -10.636 1.00 1.00 H +ATOM 1179 HA ASN A 77 9.115 9.276 -11.224 1.00 1.00 H +ATOM 1180 HB2 ASN A 77 9.322 11.235 -8.940 1.00 1.00 H +ATOM 1181 HB3 ASN A 77 9.506 9.540 -8.539 1.00 1.00 H +ATOM 1182 HD21 ASN A 77 11.459 11.655 -8.422 1.00 1.00 H +ATOM 1183 HD22 ASN A 77 12.785 11.220 -9.447 1.00 1.00 H +ATOM 1184 N THR A 78 6.363 9.962 -9.627 1.00 1.00 N +ATOM 1185 CA THR A 78 5.149 9.427 -9.033 1.00 1.00 C +ATOM 1186 C THR A 78 3.940 9.753 -9.910 1.00 1.00 C +ATOM 1187 O THR A 78 3.813 10.870 -10.411 1.00 1.00 O +ATOM 1188 CB THR A 78 5.035 9.981 -7.611 1.00 1.00 C +ATOM 1189 OG1 THR A 78 5.059 11.395 -7.786 1.00 1.00 O +ATOM 1190 CG2 THR A 78 6.277 9.687 -6.767 1.00 1.00 C +ATOM 1191 H THR A 78 6.332 10.936 -9.848 1.00 1.00 H +ATOM 1192 HA THR A 78 5.234 8.342 -8.996 1.00 1.00 H +ATOM 1193 HB THR A 78 4.135 9.610 -7.121 1.00 1.00 H +ATOM 1194 HG1 THR A 78 5.977 11.691 -8.050 1.00 1.00 H +ATOM 1195 HG21 THR A 78 7.170 9.978 -7.322 1.00 1.00 H +ATOM 1196 HG22 THR A 78 6.227 10.255 -5.837 1.00 1.00 H +ATOM 1197 HG23 THR A 78 6.320 8.622 -6.543 1.00 1.00 H +ATOM 1198 N LEU A 79 3.079 8.758 -10.071 1.00 1.00 N +ATOM 1199 CA LEU A 79 1.884 8.924 -10.880 1.00 1.00 C +ATOM 1200 C LEU A 79 1.229 10.266 -10.544 1.00 1.00 C +ATOM 1201 O LEU A 79 0.952 11.065 -11.437 1.00 1.00 O +ATOM 1202 CB LEU A 79 0.950 7.725 -10.708 1.00 1.00 C +ATOM 1203 CG LEU A 79 0.864 7.138 -9.297 1.00 1.00 C +ATOM 1204 CD1 LEU A 79 -0.551 6.643 -8.995 1.00 1.00 C +ATOM 1205 CD2 LEU A 79 1.910 6.038 -9.096 1.00 1.00 C +ATOM 1206 H LEU A 79 3.190 7.852 -9.660 1.00 1.00 H +ATOM 1207 HA LEU A 79 2.195 8.943 -11.924 1.00 1.00 H +ATOM 1208 HB2 LEU A 79 -0.052 8.021 -11.018 1.00 1.00 H +ATOM 1209 HB3 LEU A 79 1.274 6.937 -11.389 1.00 1.00 H +ATOM 1210 HG LEU A 79 1.088 7.929 -8.584 1.00 1.00 H +ATOM 1211 HD11 LEU A 79 -1.189 6.809 -9.865 1.00 1.00 H +ATOM 1212 HD12 LEU A 79 -0.523 5.578 -8.765 1.00 1.00 H +ATOM 1213 HD13 LEU A 79 -0.953 7.188 -8.142 1.00 1.00 H +ATOM 1214 HD21 LEU A 79 2.325 5.752 -10.062 1.00 1.00 H +ATOM 1215 HD22 LEU A 79 2.708 6.412 -8.454 1.00 1.00 H +ATOM 1216 HD23 LEU A 79 1.443 5.172 -8.629 1.00 1.00 H +ATOM 1217 N ALA A 80 1.002 10.471 -9.255 1.00 1.00 N +ATOM 1218 CA ALA A 80 0.384 11.702 -8.791 1.00 1.00 C +ATOM 1219 C ALA A 80 1.048 12.893 -9.487 1.00 1.00 C +ATOM 1220 O ALA A 80 0.395 13.623 -10.231 1.00 1.00 O +ATOM 1221 CB ALA A 80 0.492 11.783 -7.266 1.00 1.00 C +ATOM 1222 H ALA A 80 1.231 9.815 -8.536 1.00 1.00 H +ATOM 1223 HA ALA A 80 -0.669 11.670 -9.068 1.00 1.00 H +ATOM 1224 HB1 ALA A 80 0.790 10.813 -6.871 1.00 1.00 H +ATOM 1225 HB2 ALA A 80 1.237 12.531 -6.995 1.00 1.00 H +ATOM 1226 HB3 ALA A 80 -0.475 12.064 -6.850 1.00 1.00 H +ATOM 1227 N GLU A 81 2.335 13.053 -9.219 1.00 1.00 N +ATOM 1228 CA GLU A 81 3.093 14.143 -9.809 1.00 1.00 C +ATOM 1229 C GLU A 81 2.764 14.270 -11.299 1.00 1.00 C +ATOM 1230 O GLU A 81 2.881 15.353 -11.872 1.00 1.00 O +ATOM 1231 CB GLU A 81 4.595 13.946 -9.595 1.00 1.00 C +ATOM 1232 CG GLU A 81 5.115 14.866 -8.490 1.00 1.00 C +ATOM 1233 CD GLU A 81 6.609 14.642 -8.247 1.00 1.00 C +ATOM 1234 OE1 GLU A 81 7.400 15.120 -9.089 1.00 1.00 O +ATOM 1235 OE2 GLU A 81 6.928 13.995 -7.225 1.00 1.00 O +ATOM 1236 H GLU A 81 2.858 12.454 -8.613 1.00 1.00 H +ATOM 1237 HA GLU A 81 2.771 15.039 -9.281 1.00 1.00 H +ATOM 1238 HB2 GLU A 81 4.795 12.906 -9.332 1.00 1.00 H +ATOM 1239 HB3 GLU A 81 5.129 14.148 -10.523 1.00 1.00 H +ATOM 1240 HG2 GLU A 81 4.940 15.906 -8.764 1.00 1.00 H +ATOM 1241 HG3 GLU A 81 4.561 14.683 -7.568 1.00 1.00 H +ATOM 1242 N LEU A 82 2.361 13.152 -11.882 1.00 1.00 N +ATOM 1243 CA LEU A 82 2.015 13.126 -13.294 1.00 1.00 C +ATOM 1244 C LEU A 82 0.720 13.910 -13.511 1.00 1.00 C +ATOM 1245 O LEU A 82 0.703 14.896 -14.246 1.00 1.00 O +ATOM 1246 CB LEU A 82 1.953 11.684 -13.804 1.00 1.00 C +ATOM 1247 CG LEU A 82 2.227 11.490 -15.296 1.00 1.00 C +ATOM 1248 CD1 LEU A 82 3.250 10.376 -15.525 1.00 1.00 C +ATOM 1249 CD2 LEU A 82 0.927 11.240 -16.063 1.00 1.00 C +ATOM 1250 H LEU A 82 2.269 12.275 -11.408 1.00 1.00 H +ATOM 1251 HA LEU A 82 2.817 13.626 -13.836 1.00 1.00 H +ATOM 1252 HB2 LEU A 82 2.674 11.090 -13.242 1.00 1.00 H +ATOM 1253 HB3 LEU A 82 0.965 11.283 -13.580 1.00 1.00 H +ATOM 1254 HG LEU A 82 2.660 12.410 -15.688 1.00 1.00 H +ATOM 1255 HD11 LEU A 82 4.077 10.492 -14.825 1.00 1.00 H +ATOM 1256 HD12 LEU A 82 2.775 9.407 -15.367 1.00 1.00 H +ATOM 1257 HD13 LEU A 82 3.627 10.433 -16.546 1.00 1.00 H +ATOM 1258 HD21 LEU A 82 0.089 11.659 -15.506 1.00 1.00 H +ATOM 1259 HD22 LEU A 82 0.986 11.717 -17.042 1.00 1.00 H +ATOM 1260 HD23 LEU A 82 0.779 10.167 -16.190 1.00 1.00 H +ATOM 1261 N VAL A 83 -0.335 13.445 -12.857 1.00 1.00 N +ATOM 1262 CA VAL A 83 -1.631 14.090 -12.971 1.00 1.00 C +ATOM 1263 C VAL A 83 -1.525 15.529 -12.461 1.00 1.00 C +ATOM 1264 O VAL A 83 -2.087 16.446 -13.058 1.00 1.00 O +ATOM 1265 CB VAL A 83 -2.691 13.270 -12.230 1.00 1.00 C +ATOM 1266 CG1 VAL A 83 -3.124 13.970 -10.941 1.00 1.00 C +ATOM 1267 CG2 VAL A 83 -3.893 12.990 -13.132 1.00 1.00 C +ATOM 1268 H VAL A 83 -0.313 12.642 -12.260 1.00 1.00 H +ATOM 1269 HA VAL A 83 -1.897 14.111 -14.027 1.00 1.00 H +ATOM 1270 HB VAL A 83 -2.245 12.313 -11.959 1.00 1.00 H +ATOM 1271 HG11 VAL A 83 -2.240 14.290 -10.387 1.00 1.00 H +ATOM 1272 HG12 VAL A 83 -3.733 14.840 -11.187 1.00 1.00 H +ATOM 1273 HG13 VAL A 83 -3.704 13.279 -10.330 1.00 1.00 H +ATOM 1274 HG21 VAL A 83 -3.923 13.723 -13.939 1.00 1.00 H +ATOM 1275 HG22 VAL A 83 -3.804 11.989 -13.555 1.00 1.00 H +ATOM 1276 HG23 VAL A 83 -4.810 13.056 -12.546 1.00 1.00 H +ATOM 1277 N HIS A 84 -0.802 15.682 -11.362 1.00 1.00 N +ATOM 1278 CA HIS A 84 -0.615 16.993 -10.765 1.00 1.00 C +ATOM 1279 C HIS A 84 -0.273 18.010 -11.856 1.00 1.00 C +ATOM 1280 O HIS A 84 -1.010 18.972 -12.067 1.00 1.00 O +ATOM 1281 CB HIS A 84 0.436 16.941 -9.654 1.00 1.00 C +ATOM 1282 CG HIS A 84 -0.101 17.281 -8.284 1.00 1.00 C +ATOM 1283 ND1 HIS A 84 -1.432 17.119 -7.940 1.00 1.00 N +ATOM 1284 CD2 HIS A 84 0.526 17.773 -7.178 1.00 1.00 C +ATOM 1285 CE1 HIS A 84 -1.588 17.502 -6.681 1.00 1.00 C +ATOM 1286 NE2 HIS A 84 -0.372 17.908 -6.211 1.00 1.00 N +ATOM 1287 H HIS A 84 -0.348 14.931 -10.881 1.00 1.00 H +ATOM 1288 HA HIS A 84 -1.566 17.268 -10.310 1.00 1.00 H +ATOM 1289 HB2 HIS A 84 0.869 15.941 -9.625 1.00 1.00 H +ATOM 1290 HB3 HIS A 84 1.242 17.631 -9.898 1.00 1.00 H +ATOM 1291 HD1 HIS A 84 -2.154 16.773 -8.538 1.00 1.00 H +ATOM 1292 HD2 HIS A 84 1.586 18.016 -7.102 1.00 1.00 H +ATOM 1293 HE1 HIS A 84 -2.521 17.494 -6.118 1.00 1.00 H +ATOM 1294 N HIS A 85 0.846 17.762 -12.522 1.00 1.00 N +ATOM 1295 CA HIS A 85 1.295 18.643 -13.586 1.00 1.00 C +ATOM 1296 C HIS A 85 0.232 18.702 -14.686 1.00 1.00 C +ATOM 1297 O HIS A 85 -0.077 19.775 -15.199 1.00 1.00 O +ATOM 1298 CB HIS A 85 2.666 18.210 -14.108 1.00 1.00 C +ATOM 1299 CG HIS A 85 2.987 18.726 -15.491 1.00 1.00 C +ATOM 1300 ND1 HIS A 85 3.673 19.909 -15.710 1.00 1.00 N +ATOM 1301 CD2 HIS A 85 2.712 18.208 -16.721 1.00 1.00 C +ATOM 1302 CE1 HIS A 85 3.797 20.084 -17.017 1.00 1.00 C +ATOM 1303 NE2 HIS A 85 3.200 19.029 -17.642 1.00 1.00 N +ATOM 1304 H HIS A 85 1.440 16.978 -12.344 1.00 1.00 H +ATOM 1305 HA HIS A 85 1.403 19.634 -13.145 1.00 1.00 H +ATOM 1306 HB2 HIS A 85 3.434 18.557 -13.415 1.00 1.00 H +ATOM 1307 HB3 HIS A 85 2.713 17.121 -14.117 1.00 1.00 H +ATOM 1308 HD1 HIS A 85 4.016 20.525 -15.001 1.00 1.00 H +ATOM 1309 HD2 HIS A 85 2.180 17.276 -16.915 1.00 1.00 H +ATOM 1310 HE1 HIS A 85 4.289 20.923 -17.506 1.00 1.00 H +ATOM 1311 N HIS A 86 -0.296 17.532 -15.017 1.00 1.00 N +ATOM 1312 CA HIS A 86 -1.316 17.437 -16.046 1.00 1.00 C +ATOM 1313 C HIS A 86 -2.623 18.046 -15.533 1.00 1.00 C +ATOM 1314 O HIS A 86 -3.624 18.071 -16.247 1.00 1.00 O +ATOM 1315 CB HIS A 86 -1.482 15.989 -16.513 1.00 1.00 C +ATOM 1316 CG HIS A 86 -0.249 15.409 -17.166 1.00 1.00 C +ATOM 1317 ND1 HIS A 86 0.426 16.046 -18.193 1.00 1.00 N +ATOM 1318 CD2 HIS A 86 0.423 14.247 -16.924 1.00 1.00 C +ATOM 1319 CE1 HIS A 86 1.455 15.291 -18.548 1.00 1.00 C +ATOM 1320 NE2 HIS A 86 1.451 14.177 -17.761 1.00 1.00 N +ATOM 1321 H HIS A 86 -0.039 16.663 -14.594 1.00 1.00 H +ATOM 1322 HA HIS A 86 -0.961 18.020 -16.895 1.00 1.00 H +ATOM 1323 HB2 HIS A 86 -1.754 15.371 -15.658 1.00 1.00 H +ATOM 1324 HB3 HIS A 86 -2.312 15.938 -17.219 1.00 1.00 H +ATOM 1325 HD1 HIS A 86 0.177 16.926 -18.598 1.00 1.00 H +ATOM 1326 HD2 HIS A 86 0.160 13.503 -16.173 1.00 1.00 H +ATOM 1327 HE1 HIS A 86 2.179 15.521 -19.330 1.00 1.00 H +ATOM 1328 N SER A 87 -2.569 18.525 -14.299 1.00 1.00 N +ATOM 1329 CA SER A 87 -3.736 19.133 -13.681 1.00 1.00 C +ATOM 1330 C SER A 87 -3.986 20.515 -14.287 1.00 1.00 C +ATOM 1331 O SER A 87 -5.134 20.902 -14.505 1.00 1.00 O +ATOM 1332 CB SER A 87 -3.564 19.241 -12.165 1.00 1.00 C +ATOM 1333 OG SER A 87 -4.804 19.461 -11.501 1.00 1.00 O +ATOM 1334 H SER A 87 -1.752 18.500 -13.724 1.00 1.00 H +ATOM 1335 HA SER A 87 -4.564 18.461 -13.906 1.00 1.00 H +ATOM 1336 HB2 SER A 87 -3.107 18.326 -11.786 1.00 1.00 H +ATOM 1337 HB3 SER A 87 -2.879 20.059 -11.935 1.00 1.00 H +ATOM 1338 HG SER A 87 -4.754 19.124 -10.561 1.00 1.00 H +ATOM 1339 N THR A 88 -2.895 21.222 -14.541 1.00 1.00 N +ATOM 1340 CA THR A 88 -2.982 22.554 -15.116 1.00 1.00 C +ATOM 1341 C THR A 88 -2.323 22.582 -16.497 1.00 1.00 C +ATOM 1342 O THR A 88 -2.659 23.420 -17.333 1.00 1.00 O +ATOM 1343 CB THR A 88 -2.361 23.539 -14.125 1.00 1.00 C +ATOM 1344 OG1 THR A 88 -3.432 23.868 -13.246 1.00 1.00 O +ATOM 1345 CG2 THR A 88 -1.992 24.872 -14.780 1.00 1.00 C +ATOM 1346 H THR A 88 -1.965 20.900 -14.361 1.00 1.00 H +ATOM 1347 HA THR A 88 -4.035 22.796 -15.261 1.00 1.00 H +ATOM 1348 HB THR A 88 -1.498 23.097 -13.627 1.00 1.00 H +ATOM 1349 HG1 THR A 88 -4.034 24.539 -13.677 1.00 1.00 H +ATOM 1350 HG21 THR A 88 -1.451 24.684 -15.707 1.00 1.00 H +ATOM 1351 HG22 THR A 88 -2.899 25.435 -14.996 1.00 1.00 H +ATOM 1352 HG23 THR A 88 -1.360 25.447 -14.102 1.00 1.00 H +ATOM 1353 N VAL A 89 -1.395 21.655 -16.694 1.00 1.00 N +ATOM 1354 CA VAL A 89 -0.686 21.564 -17.958 1.00 1.00 C +ATOM 1355 C VAL A 89 -0.617 20.098 -18.394 1.00 1.00 C +ATOM 1356 O VAL A 89 0.390 19.428 -18.171 1.00 1.00 O +ATOM 1357 CB VAL A 89 0.693 22.215 -17.833 1.00 1.00 C +ATOM 1358 CG1 VAL A 89 1.597 21.813 -19.000 1.00 1.00 C +ATOM 1359 CG2 VAL A 89 0.572 23.737 -17.731 1.00 1.00 C +ATOM 1360 H VAL A 89 -1.129 20.977 -16.009 1.00 1.00 H +ATOM 1361 HA VAL A 89 -1.258 22.123 -18.698 1.00 1.00 H +ATOM 1362 HB VAL A 89 1.152 21.854 -16.913 1.00 1.00 H +ATOM 1363 HG11 VAL A 89 1.062 21.125 -19.654 1.00 1.00 H +ATOM 1364 HG12 VAL A 89 1.882 22.703 -19.563 1.00 1.00 H +ATOM 1365 HG13 VAL A 89 2.493 21.325 -18.615 1.00 1.00 H +ATOM 1366 HG21 VAL A 89 0.005 24.114 -18.583 1.00 1.00 H +ATOM 1367 HG22 VAL A 89 0.057 24.000 -16.807 1.00 1.00 H +ATOM 1368 HG23 VAL A 89 1.568 24.181 -17.732 1.00 1.00 H +ATOM 1369 N ALA A 90 -1.700 19.644 -19.007 1.00 1.00 N +ATOM 1370 CA ALA A 90 -1.775 18.272 -19.476 1.00 1.00 C +ATOM 1371 C ALA A 90 -0.775 18.072 -20.617 1.00 1.00 C +ATOM 1372 O ALA A 90 -1.167 17.781 -21.746 1.00 1.00 O +ATOM 1373 CB ALA A 90 -3.211 17.954 -19.897 1.00 1.00 C +ATOM 1374 H ALA A 90 -2.515 20.197 -19.184 1.00 1.00 H +ATOM 1375 HA ALA A 90 -1.501 17.622 -18.646 1.00 1.00 H +ATOM 1376 HB1 ALA A 90 -3.603 18.771 -20.502 1.00 1.00 H +ATOM 1377 HB2 ALA A 90 -3.225 17.032 -20.480 1.00 1.00 H +ATOM 1378 HB3 ALA A 90 -3.832 17.830 -19.009 1.00 1.00 H +ATOM 1379 N ASP A 91 0.496 18.235 -20.282 1.00 1.00 N +ATOM 1380 CA ASP A 91 1.555 18.078 -21.264 1.00 1.00 C +ATOM 1381 C ASP A 91 1.797 16.586 -21.510 1.00 1.00 C +ATOM 1382 O ASP A 91 2.942 16.142 -21.578 1.00 1.00 O +ATOM 1383 CB ASP A 91 2.864 18.694 -20.768 1.00 1.00 C +ATOM 1384 CG ASP A 91 3.611 19.542 -21.799 1.00 1.00 C +ATOM 1385 OD1 ASP A 91 3.184 20.699 -21.997 1.00 1.00 O +ATOM 1386 OD2 ASP A 91 4.592 19.013 -22.366 1.00 1.00 O +ATOM 1387 H ASP A 91 0.806 18.473 -19.361 1.00 1.00 H +ATOM 1388 HA ASP A 91 1.199 18.594 -22.156 1.00 1.00 H +ATOM 1389 HB2 ASP A 91 2.650 19.312 -19.897 1.00 1.00 H +ATOM 1390 HB3 ASP A 91 3.522 17.890 -20.434 1.00 1.00 H +ATOM 1391 N GLY A 92 0.700 15.854 -21.638 1.00 1.00 N +ATOM 1392 CA GLY A 92 0.779 14.422 -21.874 1.00 1.00 C +ATOM 1393 C GLY A 92 -0.574 13.865 -22.320 1.00 1.00 C +ATOM 1394 O GLY A 92 -0.783 13.605 -23.505 1.00 1.00 O +ATOM 1395 H GLY A 92 -0.227 16.223 -21.581 1.00 1.00 H +ATOM 1396 HA2 GLY A 92 1.531 14.218 -22.636 1.00 1.00 H +ATOM 1397 HA3 GLY A 92 1.103 13.918 -20.964 1.00 1.00 H +ATOM 1398 N LEU A 93 -1.459 13.697 -21.349 1.00 1.00 N +ATOM 1399 CA LEU A 93 -2.787 13.177 -21.626 1.00 1.00 C +ATOM 1400 C LEU A 93 -3.606 14.243 -22.356 1.00 1.00 C +ATOM 1401 O LEU A 93 -3.244 15.418 -22.357 1.00 1.00 O +ATOM 1402 CB LEU A 93 -3.443 12.669 -20.341 1.00 1.00 C +ATOM 1403 CG LEU A 93 -2.494 12.360 -19.180 1.00 1.00 C +ATOM 1404 CD1 LEU A 93 -1.249 11.621 -19.673 1.00 1.00 C +ATOM 1405 CD2 LEU A 93 -2.138 13.632 -18.408 1.00 1.00 C +ATOM 1406 H LEU A 93 -1.281 13.911 -20.388 1.00 1.00 H +ATOM 1407 HA LEU A 93 -2.668 12.318 -22.288 1.00 1.00 H +ATOM 1408 HB2 LEU A 93 -4.163 13.414 -20.006 1.00 1.00 H +ATOM 1409 HB3 LEU A 93 -4.004 11.766 -20.577 1.00 1.00 H +ATOM 1410 HG LEU A 93 -3.009 11.696 -18.487 1.00 1.00 H +ATOM 1411 HD11 LEU A 93 -1.458 11.155 -20.636 1.00 1.00 H +ATOM 1412 HD12 LEU A 93 -0.427 12.327 -19.784 1.00 1.00 H +ATOM 1413 HD13 LEU A 93 -0.971 10.852 -18.951 1.00 1.00 H +ATOM 1414 HD21 LEU A 93 -2.784 14.448 -18.736 1.00 1.00 H +ATOM 1415 HD22 LEU A 93 -2.279 13.461 -17.341 1.00 1.00 H +ATOM 1416 HD23 LEU A 93 -1.097 13.893 -18.600 1.00 1.00 H +ATOM 1417 N ILE A 94 -4.696 13.794 -22.960 1.00 1.00 N +ATOM 1418 CA ILE A 94 -5.571 14.694 -23.692 1.00 1.00 C +ATOM 1419 C ILE A 94 -6.230 15.667 -22.713 1.00 1.00 C +ATOM 1420 O ILE A 94 -5.952 16.866 -22.741 1.00 1.00 O +ATOM 1421 CB ILE A 94 -6.570 13.902 -24.538 1.00 1.00 C +ATOM 1422 CG1 ILE A 94 -7.468 14.839 -25.348 1.00 1.00 C +ATOM 1423 CG2 ILE A 94 -7.383 12.940 -23.668 1.00 1.00 C +ATOM 1424 CD1 ILE A 94 -8.719 15.223 -24.554 1.00 1.00 C +ATOM 1425 H ILE A 94 -4.985 12.836 -22.956 1.00 1.00 H +ATOM 1426 HA ILE A 94 -4.949 15.266 -24.382 1.00 1.00 H +ATOM 1427 HB ILE A 94 -6.010 13.296 -25.251 1.00 1.00 H +ATOM 1428 HG12 ILE A 94 -6.913 15.738 -25.616 1.00 1.00 H +ATOM 1429 HG13 ILE A 94 -7.758 14.355 -26.279 1.00 1.00 H +ATOM 1430 HG21 ILE A 94 -6.788 12.640 -22.805 1.00 1.00 H +ATOM 1431 HG22 ILE A 94 -8.290 13.436 -23.327 1.00 1.00 H +ATOM 1432 HG23 ILE A 94 -7.647 12.059 -24.252 1.00 1.00 H +ATOM 1433 HD11 ILE A 94 -8.453 15.372 -23.508 1.00 1.00 H +ATOM 1434 HD12 ILE A 94 -9.136 16.144 -24.958 1.00 1.00 H +ATOM 1435 HD13 ILE A 94 -9.457 14.424 -24.631 1.00 1.00 H +ATOM 1436 N THR A 95 -7.089 15.115 -21.868 1.00 1.00 N +ATOM 1437 CA THR A 95 -7.789 15.919 -20.880 1.00 1.00 C +ATOM 1438 C THR A 95 -6.899 16.160 -19.660 1.00 1.00 C +ATOM 1439 O THR A 95 -5.989 15.377 -19.387 1.00 1.00 O +ATOM 1440 CB THR A 95 -9.104 15.214 -20.544 1.00 1.00 C +ATOM 1441 OG1 THR A 95 -10.038 16.279 -20.385 1.00 1.00 O +ATOM 1442 CG2 THR A 95 -9.072 14.538 -19.172 1.00 1.00 C +ATOM 1443 H THR A 95 -7.308 14.140 -21.852 1.00 1.00 H +ATOM 1444 HA THR A 95 -8.001 16.894 -21.321 1.00 1.00 H +ATOM 1445 HB THR A 95 -9.374 14.501 -21.323 1.00 1.00 H +ATOM 1446 HG1 THR A 95 -9.589 17.068 -19.966 1.00 1.00 H +ATOM 1447 HG21 THR A 95 -8.068 14.611 -18.755 1.00 1.00 H +ATOM 1448 HG22 THR A 95 -9.778 15.033 -18.505 1.00 1.00 H +ATOM 1449 HG23 THR A 95 -9.347 13.488 -19.278 1.00 1.00 H +ATOM 1450 N THR A 96 -7.192 17.245 -18.959 1.00 1.00 N +ATOM 1451 CA THR A 96 -6.429 17.599 -17.775 1.00 1.00 C +ATOM 1452 C THR A 96 -7.230 17.281 -16.510 1.00 1.00 C +ATOM 1453 O THR A 96 -7.893 18.155 -15.953 1.00 1.00 O +ATOM 1454 CB THR A 96 -6.034 19.072 -17.888 1.00 1.00 C +ATOM 1455 OG1 THR A 96 -7.258 19.776 -17.700 1.00 1.00 O +ATOM 1456 CG2 THR A 96 -5.598 19.453 -19.305 1.00 1.00 C +ATOM 1457 H THR A 96 -7.932 17.876 -19.188 1.00 1.00 H +ATOM 1458 HA THR A 96 -5.531 16.982 -17.747 1.00 1.00 H +ATOM 1459 HB THR A 96 -5.261 19.325 -17.162 1.00 1.00 H +ATOM 1460 HG1 THR A 96 -8.024 19.133 -17.691 1.00 1.00 H +ATOM 1461 HG21 THR A 96 -5.518 18.553 -19.913 1.00 1.00 H +ATOM 1462 HG22 THR A 96 -6.337 20.123 -19.743 1.00 1.00 H +ATOM 1463 HG23 THR A 96 -4.631 19.954 -19.265 1.00 1.00 H +ATOM 1464 N LEU A 97 -7.141 16.026 -16.092 1.00 1.00 N +ATOM 1465 CA LEU A 97 -7.851 15.582 -14.903 1.00 1.00 C +ATOM 1466 C LEU A 97 -9.321 15.990 -15.009 1.00 1.00 C +ATOM 1467 O LEU A 97 -9.717 16.656 -15.965 1.00 1.00 O +ATOM 1468 CB LEU A 97 -7.158 16.101 -13.642 1.00 1.00 C +ATOM 1469 CG LEU A 97 -5.677 15.748 -13.497 1.00 1.00 C +ATOM 1470 CD1 LEU A 97 -4.900 16.105 -14.765 1.00 1.00 C +ATOM 1471 CD2 LEU A 97 -5.076 16.404 -12.251 1.00 1.00 C +ATOM 1472 H LEU A 97 -6.600 15.321 -16.549 1.00 1.00 H +ATOM 1473 HA LEU A 97 -7.795 14.494 -14.877 1.00 1.00 H +ATOM 1474 HB2 LEU A 97 -7.256 17.186 -13.618 1.00 1.00 H +ATOM 1475 HB3 LEU A 97 -7.691 15.713 -12.773 1.00 1.00 H +ATOM 1476 HG LEU A 97 -5.593 14.669 -13.361 1.00 1.00 H +ATOM 1477 HD11 LEU A 97 -5.292 17.033 -15.181 1.00 1.00 H +ATOM 1478 HD12 LEU A 97 -3.845 16.233 -14.521 1.00 1.00 H +ATOM 1479 HD13 LEU A 97 -5.010 15.304 -15.496 1.00 1.00 H +ATOM 1480 HD21 LEU A 97 -5.388 17.448 -12.205 1.00 1.00 H +ATOM 1481 HD22 LEU A 97 -5.422 15.881 -11.361 1.00 1.00 H +ATOM 1482 HD23 LEU A 97 -3.988 16.352 -12.303 1.00 1.00 H +ATOM 1483 N HIS A 98 -10.091 15.574 -14.015 1.00 1.00 N +ATOM 1484 CA HIS A 98 -11.510 15.888 -13.984 1.00 1.00 C +ATOM 1485 C HIS A 98 -11.922 16.260 -12.559 1.00 1.00 C +ATOM 1486 O HIS A 98 -11.969 17.439 -12.211 1.00 1.00 O +ATOM 1487 CB HIS A 98 -12.333 14.732 -14.557 1.00 1.00 C +ATOM 1488 CG HIS A 98 -13.756 14.682 -14.050 1.00 1.00 C +ATOM 1489 ND1 HIS A 98 -14.178 13.783 -13.086 1.00 1.00 N +ATOM 1490 CD2 HIS A 98 -14.846 15.430 -14.385 1.00 1.00 C +ATOM 1491 CE1 HIS A 98 -15.467 13.989 -12.859 1.00 1.00 C +ATOM 1492 NE2 HIS A 98 -15.879 15.009 -13.664 1.00 1.00 N +ATOM 1493 H HIS A 98 -9.761 15.032 -13.241 1.00 1.00 H +ATOM 1494 HA HIS A 98 -11.653 16.751 -14.632 1.00 1.00 H +ATOM 1495 HB2 HIS A 98 -12.348 14.814 -15.643 1.00 1.00 H +ATOM 1496 HB3 HIS A 98 -11.840 13.791 -14.314 1.00 1.00 H +ATOM 1497 HD1 HIS A 98 -13.607 13.096 -12.640 1.00 1.00 H +ATOM 1498 HD2 HIS A 98 -14.867 16.237 -15.118 1.00 1.00 H +ATOM 1499 HE1 HIS A 98 -16.087 13.439 -12.152 1.00 1.00 H +ATOM 1500 N TYR A 99 -12.209 15.233 -11.772 1.00 1.00 N +ATOM 1501 CA TYR A 99 -12.616 15.438 -10.393 1.00 1.00 C +ATOM 1502 C TYR A 99 -11.575 14.873 -9.424 1.00 1.00 C +ATOM 1503 O TYR A 99 -11.653 13.709 -9.034 1.00 1.00 O +ATOM 1504 CB TYR A 99 -13.926 14.668 -10.219 1.00 1.00 C +ATOM 1505 CG TYR A 99 -15.157 15.406 -10.751 1.00 1.00 C +ATOM 1506 CD1 TYR A 99 -15.004 16.452 -11.641 1.00 1.00 C +ATOM 1507 CD2 TYR A 99 -16.419 15.028 -10.342 1.00 1.00 C +ATOM 1508 CE1 TYR A 99 -16.162 17.147 -12.140 1.00 1.00 C +ATOM 1509 CE2 TYR A 99 -17.578 15.724 -10.841 1.00 1.00 C +ATOM 1510 CZ TYR A 99 -17.391 16.750 -11.716 1.00 1.00 C +ATOM 1511 OH TYR A 99 -18.484 17.405 -12.188 1.00 1.00 O +ATOM 1512 H TYR A 99 -12.168 14.278 -12.063 1.00 1.00 H +ATOM 1513 HA TYR A 99 -12.712 16.512 -10.226 1.00 1.00 H +ATOM 1514 HB2 TYR A 99 -13.842 13.710 -10.732 1.00 1.00 H +ATOM 1515 HB3 TYR A 99 -14.074 14.453 -9.162 1.00 1.00 H +ATOM 1516 HD1 TYR A 99 -14.008 16.750 -11.964 1.00 1.00 H +ATOM 1517 HD2 TYR A 99 -16.539 14.204 -9.639 1.00 1.00 H +ATOM 1518 HE1 TYR A 99 -16.056 17.973 -12.843 1.00 1.00 H +ATOM 1519 HE2 TYR A 99 -18.579 15.436 -10.526 1.00 1.00 H +ATOM 1520 HH TYR A 99 -19.158 17.516 -11.458 1.00 1.00 H +ATOM 1521 N PRO A 100 -10.601 15.746 -9.053 1.00 1.00 N +ATOM 1522 CA PRO A 100 -9.545 15.345 -8.139 1.00 1.00 C +ATOM 1523 C PRO A 100 -10.067 15.265 -6.702 1.00 1.00 C +ATOM 1524 O PRO A 100 -9.284 15.175 -5.759 1.00 1.00 O +ATOM 1525 CB PRO A 100 -8.454 16.389 -8.317 1.00 1.00 C +ATOM 1526 CG PRO A 100 -9.123 17.584 -8.975 1.00 1.00 C +ATOM 1527 CD PRO A 100 -10.476 17.132 -9.495 1.00 1.00 C +ATOM 1528 HA PRO A 100 -9.221 14.428 -8.363 1.00 1.00 H +ATOM 1529 HB2 PRO A 100 -8.017 16.665 -7.357 1.00 1.00 H +ATOM 1530 HB3 PRO A 100 -7.643 16.004 -8.937 1.00 1.00 H +ATOM 1531 HG2 PRO A 100 -9.240 18.398 -8.258 1.00 1.00 H +ATOM 1532 HG3 PRO A 100 -8.507 17.964 -9.790 1.00 1.00 H +ATOM 1533 HD2 PRO A 100 -11.282 17.749 -9.093 1.00 1.00 H +ATOM 1534 HD3 PRO A 100 -10.529 17.209 -10.581 1.00 1.00 H +ATOM 1535 N ALA A 101 -11.386 15.301 -6.583 1.00 1.00 N +ATOM 1536 CA ALA A 101 -12.021 15.235 -5.278 1.00 1.00 C +ATOM 1537 C ALA A 101 -12.002 13.787 -4.780 1.00 1.00 C +ATOM 1538 O ALA A 101 -12.063 12.852 -5.577 1.00 1.00 O +ATOM 1539 CB ALA A 101 -13.438 15.800 -5.370 1.00 1.00 C +ATOM 1540 H ALA A 101 -12.016 15.376 -7.356 1.00 1.00 H +ATOM 1541 HA ALA A 101 -11.440 15.852 -4.593 1.00 1.00 H +ATOM 1542 HB1 ALA A 101 -13.766 15.795 -6.410 1.00 1.00 H +ATOM 1543 HB2 ALA A 101 -14.115 15.187 -4.775 1.00 1.00 H +ATOM 1544 HB3 ALA A 101 -13.448 16.822 -4.991 1.00 1.00 H +ATOM 1545 N PRO A 102 -11.914 13.644 -3.431 1.00 1.00 N +ATOM 1546 CA PRO A 102 -11.887 12.327 -2.818 1.00 1.00 C +ATOM 1547 C PRO A 102 -13.277 11.688 -2.830 1.00 1.00 C +ATOM 1548 O PRO A 102 -14.286 12.387 -2.864 1.00 1.00 O +ATOM 1549 CB PRO A 102 -11.351 12.558 -1.413 1.00 1.00 C +ATOM 1550 CG PRO A 102 -11.539 14.041 -1.135 1.00 1.00 C +ATOM 1551 CD PRO A 102 -11.840 14.729 -2.456 1.00 1.00 C +ATOM 1552 HA PRO A 102 -11.298 11.712 -3.343 1.00 1.00 H +ATOM 1553 HB2 PRO A 102 -11.892 11.952 -0.686 1.00 1.00 H +ATOM 1554 HB3 PRO A 102 -10.300 12.277 -1.346 1.00 1.00 H +ATOM 1555 HG2 PRO A 102 -12.353 14.195 -0.428 1.00 1.00 H +ATOM 1556 HG3 PRO A 102 -10.640 14.459 -0.682 1.00 1.00 H +ATOM 1557 HD2 PRO A 102 -12.777 15.283 -2.408 1.00 1.00 H +ATOM 1558 HD3 PRO A 102 -11.060 15.443 -2.717 1.00 1.00 H +ATOM 1559 N LYS A 103 -13.282 10.363 -2.802 1.00 1.00 N +ATOM 1560 CA LYS A 103 -14.531 9.621 -2.810 1.00 1.00 C +ATOM 1561 C LYS A 103 -15.248 9.821 -1.472 1.00 1.00 C +ATOM 1562 O LYS A 103 -14.786 10.583 -0.625 1.00 1.00 O +ATOM 1563 CB LYS A 103 -14.280 8.152 -3.158 1.00 1.00 C +ATOM 1564 CG LYS A 103 -13.293 8.024 -4.320 1.00 1.00 C +ATOM 1565 CD LYS A 103 -12.097 7.152 -3.931 1.00 1.00 C +ATOM 1566 CE LYS A 103 -11.177 7.886 -2.953 1.00 1.00 C +ATOM 1567 NZ LYS A 103 -9.993 7.058 -2.634 1.00 1.00 N +ATOM 1568 H LYS A 103 -12.456 9.800 -2.775 1.00 1.00 H +ATOM 1569 HA LYS A 103 -15.155 10.037 -3.601 1.00 1.00 H +ATOM 1570 HB2 LYS A 103 -13.889 7.629 -2.285 1.00 1.00 H +ATOM 1571 HB3 LYS A 103 -15.221 7.670 -3.422 1.00 1.00 H +ATOM 1572 HG2 LYS A 103 -13.796 7.593 -5.184 1.00 1.00 H +ATOM 1573 HG3 LYS A 103 -12.943 9.014 -4.615 1.00 1.00 H +ATOM 1574 HD2 LYS A 103 -12.450 6.226 -3.477 1.00 1.00 H +ATOM 1575 HD3 LYS A 103 -11.538 6.876 -4.825 1.00 1.00 H +ATOM 1576 HE2 LYS A 103 -10.858 8.835 -3.388 1.00 1.00 H +ATOM 1577 HE3 LYS A 103 -11.722 8.122 -2.039 1.00 1.00 H +ATOM 1578 HZ1 LYS A 103 -10.282 6.117 -2.464 1.00 1.00 H +ATOM 1579 HZ2 LYS A 103 -9.355 7.077 -3.404 1.00 1.00 H +ATOM 1580 HZ3 LYS A 103 -9.543 7.421 -1.820 1.00 1.00 H +ATOM 1581 N ARG A 104 -16.364 9.123 -1.325 1.00 1.00 N +ATOM 1582 CA ARG A 104 -17.148 9.215 -0.105 1.00 1.00 C +ATOM 1583 C ARG A 104 -16.426 8.510 1.045 1.00 1.00 C +ATOM 1584 O ARG A 104 -16.638 8.842 2.210 1.00 1.00 O +ATOM 1585 CB ARG A 104 -18.531 8.586 -0.290 1.00 1.00 C +ATOM 1586 CG ARG A 104 -19.639 9.600 0.006 1.00 1.00 C +ATOM 1587 CD ARG A 104 -20.796 8.942 0.760 1.00 1.00 C +ATOM 1588 NE ARG A 104 -21.825 8.478 -0.197 1.00 1.00 N +ATOM 1589 CZ ARG A 104 -21.860 7.245 -0.723 1.00 1.00 C +ATOM 1590 NH1 ARG A 104 -20.925 6.346 -0.386 1.00 1.00 N +ATOM 1591 NH2 ARG A 104 -22.832 6.911 -1.583 1.00 1.00 N +ATOM 1592 H ARG A 104 -16.733 8.505 -2.019 1.00 1.00 H +ATOM 1593 HA ARG A 104 -17.243 10.284 0.086 1.00 1.00 H +ATOM 1594 HB2 ARG A 104 -18.633 8.218 -1.312 1.00 1.00 H +ATOM 1595 HB3 ARG A 104 -18.635 7.725 0.369 1.00 1.00 H +ATOM 1596 HG2 ARG A 104 -19.235 10.422 0.597 1.00 1.00 H +ATOM 1597 HG3 ARG A 104 -20.005 10.027 -0.928 1.00 1.00 H +ATOM 1598 HD2 ARG A 104 -20.427 8.102 1.347 1.00 1.00 H +ATOM 1599 HD3 ARG A 104 -21.234 9.653 1.462 1.00 1.00 H +ATOM 1600 HE ARG A 104 -22.539 9.124 -0.469 1.00 1.00 H +ATOM 1601 HH11 ARG A 104 -20.200 6.596 0.256 1.00 1.00 H +ATOM 1602 HH12 ARG A 104 -20.951 5.426 -0.778 1.00 1.00 H +ATOM 1603 HH21 ARG A 104 -23.530 7.582 -1.833 1.00 1.00 H +ATOM 1604 HH22 ARG A 104 -22.858 5.992 -1.974 1.00 1.00 H +ATOM 1605 N GLY A 105 -15.588 7.553 0.677 1.00 1.00 N +ATOM 1606 CA GLY A 105 -14.833 6.800 1.663 1.00 1.00 C +ATOM 1607 C GLY A 105 -14.475 7.675 2.866 1.00 1.00 C +ATOM 1608 O GLY A 105 -14.639 7.260 4.011 1.00 1.00 O +ATOM 1609 H GLY A 105 -15.422 7.291 -0.273 1.00 1.00 H +ATOM 1610 HA2 GLY A 105 -15.417 5.941 1.994 1.00 1.00 H +ATOM 1611 HA3 GLY A 105 -13.921 6.410 1.209 1.00 1.00 H +ATOM 1612 N ILE A 106 -13.993 8.873 2.564 1.00 1.00 N +ATOM 1613 CA ILE A 106 -13.610 9.811 3.605 1.00 1.00 C +ATOM 1614 C ILE A 106 -14.871 10.389 4.253 1.00 1.00 C +ATOM 1615 O ILE A 106 -15.160 10.111 5.414 1.00 1.00 O +ATOM 1616 CB ILE A 106 -12.663 10.873 3.046 1.00 1.00 C +ATOM 1617 CG1 ILE A 106 -12.776 12.178 3.837 1.00 1.00 C +ATOM 1618 CG2 ILE A 106 -12.897 11.086 1.550 1.00 1.00 C +ATOM 1619 CD1 ILE A 106 -11.690 13.170 3.417 1.00 1.00 C +ATOM 1620 H ILE A 106 -13.863 9.203 1.628 1.00 1.00 H +ATOM 1621 HA ILE A 106 -13.060 9.252 4.362 1.00 1.00 H +ATOM 1622 HB ILE A 106 -11.640 10.514 3.165 1.00 1.00 H +ATOM 1623 HG12 ILE A 106 -13.760 12.621 3.676 1.00 1.00 H +ATOM 1624 HG13 ILE A 106 -12.692 11.971 4.903 1.00 1.00 H +ATOM 1625 HG21 ILE A 106 -13.968 11.075 1.346 1.00 1.00 H +ATOM 1626 HG22 ILE A 106 -12.479 12.048 1.250 1.00 1.00 H +ATOM 1627 HG23 ILE A 106 -12.411 10.289 0.989 1.00 1.00 H +ATOM 1628 HD11 ILE A 106 -10.767 12.630 3.205 1.00 1.00 H +ATOM 1629 HD12 ILE A 106 -12.012 13.704 2.523 1.00 1.00 H +ATOM 1630 HD13 ILE A 106 -11.516 13.883 4.223 1.00 1.00 H +ATOM 1631 N HIS A 107 -15.587 11.183 3.470 1.00 1.00 N +ATOM 1632 CA HIS A 107 -16.809 11.803 3.952 1.00 1.00 C +ATOM 1633 C HIS A 107 -17.285 12.852 2.943 1.00 1.00 C +ATOM 1634 O HIS A 107 -16.607 13.852 2.715 1.00 1.00 O +ATOM 1635 CB HIS A 107 -16.609 12.380 5.355 1.00 1.00 C +ATOM 1636 CG HIS A 107 -17.464 11.726 6.414 1.00 1.00 C +ATOM 1637 ND1 HIS A 107 -18.008 12.428 7.477 1.00 1.00 N +ATOM 1638 CD2 HIS A 107 -17.862 10.430 6.564 1.00 1.00 C +ATOM 1639 CE1 HIS A 107 -18.699 11.581 8.226 1.00 1.00 C +ATOM 1640 NE2 HIS A 107 -18.607 10.344 7.659 1.00 1.00 N +ATOM 1641 H HIS A 107 -15.345 11.406 2.526 1.00 1.00 H +ATOM 1642 HA HIS A 107 -17.555 11.013 4.021 1.00 1.00 H +ATOM 1643 HB2 HIS A 107 -15.561 12.277 5.633 1.00 1.00 H +ATOM 1644 HB3 HIS A 107 -16.829 13.448 5.333 1.00 1.00 H +ATOM 1645 HD1 HIS A 107 -17.897 13.406 7.651 1.00 1.00 H +ATOM 1646 HD2 HIS A 107 -17.611 9.606 5.897 1.00 1.00 H +ATOM 1647 HE1 HIS A 107 -19.246 11.830 9.136 1.00 1.00 H +ATOM 1648 N ARG A 108 -18.448 12.585 2.367 1.00 1.00 N +ATOM 1649 CA ARG A 108 -19.023 13.492 1.388 1.00 1.00 C +ATOM 1650 C ARG A 108 -20.548 13.366 1.378 1.00 1.00 C +ATOM 1651 O ARG A 108 -21.094 12.359 1.828 1.00 1.00 O +ATOM 1652 CB ARG A 108 -18.485 13.201 -0.015 1.00 1.00 C +ATOM 1653 CG ARG A 108 -16.978 13.452 -0.087 1.00 1.00 C +ATOM 1654 CD ARG A 108 -16.659 14.937 0.094 1.00 1.00 C +ATOM 1655 NE ARG A 108 -17.332 15.729 -0.960 1.00 1.00 N +ATOM 1656 CZ ARG A 108 -16.990 15.702 -2.255 1.00 1.00 C +ATOM 1657 NH1 ARG A 108 -15.981 14.920 -2.665 1.00 1.00 N +ATOM 1658 NH2 ARG A 108 -17.656 16.456 -3.141 1.00 1.00 N +ATOM 1659 H ARG A 108 -18.994 11.769 2.558 1.00 1.00 H +ATOM 1660 HA ARG A 108 -18.714 14.486 1.712 1.00 1.00 H +ATOM 1661 HB2 ARG A 108 -18.699 12.166 -0.283 1.00 1.00 H +ATOM 1662 HB3 ARG A 108 -18.997 13.831 -0.742 1.00 1.00 H +ATOM 1663 HG2 ARG A 108 -16.473 12.871 0.685 1.00 1.00 H +ATOM 1664 HG3 ARG A 108 -16.594 13.108 -1.048 1.00 1.00 H +ATOM 1665 HD2 ARG A 108 -16.988 15.271 1.077 1.00 1.00 H +ATOM 1666 HD3 ARG A 108 -15.582 15.095 0.047 1.00 1.00 H +ATOM 1667 HE ARG A 108 -18.089 16.325 -0.688 1.00 1.00 H +ATOM 1668 HH11 ARG A 108 -15.483 14.359 -2.004 1.00 1.00 H +ATOM 1669 HH12 ARG A 108 -15.725 14.899 -3.631 1.00 1.00 H +ATOM 1670 HH21 ARG A 108 -18.408 17.038 -2.836 1.00 1.00 H +ATOM 1671 HH22 ARG A 108 -17.400 16.434 -4.107 1.00 1.00 H +ATOM 1672 N ASP A 109 -21.192 14.400 0.860 1.00 1.00 N +ATOM 1673 CA ASP A 109 -22.643 14.418 0.785 1.00 1.00 C +ATOM 1674 C ASP A 109 -23.106 13.436 -0.295 1.00 1.00 C +ATOM 1675 O ASP A 109 -22.258 12.628 -0.727 1.00 1.00 O +ATOM 1676 CB ASP A 109 -23.159 15.809 0.413 1.00 1.00 C +ATOM 1677 CG ASP A 109 -23.393 16.750 1.596 1.00 1.00 C +ATOM 1678 OD1 ASP A 109 -24.053 16.238 2.579 1.00 1.00 O +ATOM 1679 OD2 ASP A 109 -22.967 17.914 1.580 1.00 1.00 O +ATOM 1680 OXT ASP A 109 -24.266 13.462 -0.704 1.00 1.00 O +ATOM 1681 H ASP A 109 -20.741 15.216 0.496 1.00 1.00 H +ATOM 1682 HA ASP A 109 -22.985 14.133 1.780 1.00 1.00 H +ATOM 1683 HB2 ASP A 109 -22.446 16.275 -0.267 1.00 1.00 H +ATOM 1684 HB3 ASP A 109 -24.096 15.698 -0.135 1.00 1.00 H +TER 1685 ASP A 109 +ENDMDL +MODEL 14 +ATOM 1 N GLY A 1 -2.571 -11.991 -2.498 1.00 1.00 N +ATOM 2 CA GLY A 1 -3.613 -11.541 -1.591 1.00 1.00 C +ATOM 3 C GLY A 1 -3.191 -10.266 -0.860 1.00 1.00 C +ATOM 4 O GLY A 1 -3.095 -10.252 0.367 1.00 1.00 O +ATOM 5 H1 GLY A 1 -2.227 -11.203 -3.036 1.00 1.00 H +ATOM 6 H2 GLY A 1 -1.809 -12.394 -1.963 1.00 1.00 H +ATOM 7 H3 GLY A 1 -2.949 -12.690 -3.127 1.00 1.00 H +ATOM 8 HA2 GLY A 1 -4.532 -11.358 -2.149 1.00 1.00 H +ATOM 9 HA3 GLY A 1 -3.833 -12.325 -0.866 1.00 1.00 H +ATOM 10 N SER A 2 -2.948 -9.225 -1.642 1.00 1.00 N +ATOM 11 CA SER A 2 -2.538 -7.948 -1.084 1.00 1.00 C +ATOM 12 C SER A 2 -3.211 -6.804 -1.845 1.00 1.00 C +ATOM 13 O SER A 2 -3.445 -6.907 -3.049 1.00 1.00 O +ATOM 14 CB SER A 2 -1.017 -7.791 -1.126 1.00 1.00 C +ATOM 15 OG SER A 2 -0.437 -7.854 0.175 1.00 1.00 O +ATOM 16 H SER A 2 -3.029 -9.244 -2.639 1.00 1.00 H +ATOM 17 HA SER A 2 -2.873 -7.965 -0.046 1.00 1.00 H +ATOM 18 HB2 SER A 2 -0.589 -8.575 -1.751 1.00 1.00 H +ATOM 19 HB3 SER A 2 -0.763 -6.839 -1.591 1.00 1.00 H +ATOM 20 HG SER A 2 0.488 -8.229 0.119 1.00 1.00 H +ATOM 21 N GLY A 3 -3.502 -5.738 -1.112 1.00 1.00 N +ATOM 22 CA GLY A 3 -4.143 -4.576 -1.703 1.00 1.00 C +ATOM 23 C GLY A 3 -3.434 -3.287 -1.284 1.00 1.00 C +ATOM 24 O GLY A 3 -2.958 -2.532 -2.130 1.00 1.00 O +ATOM 25 H GLY A 3 -3.309 -5.662 -0.135 1.00 1.00 H +ATOM 26 HA2 GLY A 3 -4.132 -4.663 -2.790 1.00 1.00 H +ATOM 27 HA3 GLY A 3 -5.189 -4.538 -1.398 1.00 1.00 H +ATOM 28 N ASN A 4 -3.390 -3.074 0.023 1.00 1.00 N +ATOM 29 CA ASN A 4 -2.747 -1.889 0.566 1.00 1.00 C +ATOM 30 C ASN A 4 -3.341 -0.644 -0.096 1.00 1.00 C +ATOM 31 O ASN A 4 -2.895 -0.233 -1.166 1.00 1.00 O +ATOM 32 CB ASN A 4 -1.243 -1.901 0.289 1.00 1.00 C +ATOM 33 CG ASN A 4 -0.551 -0.720 0.972 1.00 1.00 C +ATOM 34 OD1 ASN A 4 -1.025 -0.172 1.953 1.00 1.00 O +ATOM 35 ND2 ASN A 4 0.596 -0.360 0.400 1.00 1.00 N +ATOM 36 H ASN A 4 -3.781 -3.692 0.705 1.00 1.00 H +ATOM 37 HA ASN A 4 -2.943 -1.923 1.639 1.00 1.00 H +ATOM 38 HB2 ASN A 4 -0.812 -2.836 0.645 1.00 1.00 H +ATOM 39 HB3 ASN A 4 -1.068 -1.857 -0.786 1.00 1.00 H +ATOM 40 HD21 ASN A 4 0.928 -0.853 -0.404 1.00 1.00 H +ATOM 41 HD22 ASN A 4 1.124 0.402 0.775 1.00 1.00 H +ATOM 42 N SER A 5 -4.338 -0.077 0.568 1.00 1.00 N +ATOM 43 CA SER A 5 -4.997 1.113 0.056 1.00 1.00 C +ATOM 44 C SER A 5 -3.985 2.253 -0.084 1.00 1.00 C +ATOM 45 O SER A 5 -2.864 2.158 0.416 1.00 1.00 O +ATOM 46 CB SER A 5 -6.151 1.538 0.966 1.00 1.00 C +ATOM 47 OG SER A 5 -5.734 1.692 2.320 1.00 1.00 O +ATOM 48 H SER A 5 -4.694 -0.417 1.438 1.00 1.00 H +ATOM 49 HA SER A 5 -5.390 0.829 -0.919 1.00 1.00 H +ATOM 50 HB2 SER A 5 -6.570 2.477 0.606 1.00 1.00 H +ATOM 51 HB3 SER A 5 -6.946 0.793 0.914 1.00 1.00 H +ATOM 52 HG SER A 5 -6.501 2.009 2.880 1.00 1.00 H +ATOM 53 N LEU A 6 -4.415 3.304 -0.766 1.00 1.00 N +ATOM 54 CA LEU A 6 -3.562 4.460 -0.978 1.00 1.00 C +ATOM 55 C LEU A 6 -4.408 5.627 -1.488 1.00 1.00 C +ATOM 56 O LEU A 6 -4.309 6.008 -2.653 1.00 1.00 O +ATOM 57 CB LEU A 6 -2.392 4.101 -1.895 1.00 1.00 C +ATOM 58 CG LEU A 6 -1.014 4.035 -1.234 1.00 1.00 C +ATOM 59 CD1 LEU A 6 -0.047 3.189 -2.063 1.00 1.00 C +ATOM 60 CD2 LEU A 6 -0.466 5.439 -0.970 1.00 1.00 C +ATOM 61 H LEU A 6 -5.328 3.373 -1.169 1.00 1.00 H +ATOM 62 HA LEU A 6 -3.140 4.736 -0.011 1.00 1.00 H +ATOM 63 HB2 LEU A 6 -2.599 3.133 -2.353 1.00 1.00 H +ATOM 64 HB3 LEU A 6 -2.351 4.832 -2.704 1.00 1.00 H +ATOM 65 HG LEU A 6 -1.123 3.545 -0.266 1.00 1.00 H +ATOM 66 HD11 LEU A 6 -0.587 2.359 -2.517 1.00 1.00 H +ATOM 67 HD12 LEU A 6 0.397 3.805 -2.844 1.00 1.00 H +ATOM 68 HD13 LEU A 6 0.740 2.799 -1.416 1.00 1.00 H +ATOM 69 HD21 LEU A 6 -1.295 6.147 -0.904 1.00 1.00 H +ATOM 70 HD22 LEU A 6 0.090 5.443 -0.033 1.00 1.00 H +ATOM 71 HD23 LEU A 6 0.195 5.730 -1.785 1.00 1.00 H +ATOM 72 N GLU A 7 -5.223 6.163 -0.591 1.00 1.00 N +ATOM 73 CA GLU A 7 -6.087 7.279 -0.937 1.00 1.00 C +ATOM 74 C GLU A 7 -5.274 8.573 -1.018 1.00 1.00 C +ATOM 75 O GLU A 7 -5.567 9.539 -0.316 1.00 1.00 O +ATOM 76 CB GLU A 7 -7.234 7.415 0.067 1.00 1.00 C +ATOM 77 CG GLU A 7 -8.581 7.138 -0.602 1.00 1.00 C +ATOM 78 CD GLU A 7 -9.537 8.321 -0.423 1.00 1.00 C +ATOM 79 OE1 GLU A 7 -9.100 9.446 -0.875 1.00 1.00 O +ATOM 80 OE2 GLU A 7 -10.636 8.153 0.124 1.00 1.00 O +ATOM 81 H GLU A 7 -5.298 5.847 0.355 1.00 1.00 H +ATOM 82 HA GLU A 7 -6.496 7.037 -1.917 1.00 1.00 H +ATOM 83 HB2 GLU A 7 -7.085 6.720 0.892 1.00 1.00 H +ATOM 84 HB3 GLU A 7 -7.234 8.419 0.490 1.00 1.00 H +ATOM 85 HG2 GLU A 7 -8.432 6.945 -1.665 1.00 1.00 H +ATOM 86 HG3 GLU A 7 -9.026 6.239 -0.174 1.00 1.00 H +ATOM 87 N LYS A 8 -4.269 8.549 -1.882 1.00 1.00 N +ATOM 88 CA LYS A 8 -3.413 9.708 -2.065 1.00 1.00 C +ATOM 89 C LYS A 8 -4.275 10.926 -2.406 1.00 1.00 C +ATOM 90 O LYS A 8 -4.822 11.573 -1.513 1.00 1.00 O +ATOM 91 CB LYS A 8 -2.326 9.414 -3.102 1.00 1.00 C +ATOM 92 CG LYS A 8 -0.954 9.869 -2.603 1.00 1.00 C +ATOM 93 CD LYS A 8 -0.417 11.023 -3.454 1.00 1.00 C +ATOM 94 CE LYS A 8 1.093 11.185 -3.266 1.00 1.00 C +ATOM 95 NZ LYS A 8 1.742 11.520 -4.554 1.00 1.00 N +ATOM 96 H LYS A 8 -4.038 7.759 -2.449 1.00 1.00 H +ATOM 97 HA LYS A 8 -2.910 9.896 -1.116 1.00 1.00 H +ATOM 98 HB2 LYS A 8 -2.303 8.345 -3.317 1.00 1.00 H +ATOM 99 HB3 LYS A 8 -2.566 9.921 -4.037 1.00 1.00 H +ATOM 100 HG2 LYS A 8 -1.027 10.184 -1.563 1.00 1.00 H +ATOM 101 HG3 LYS A 8 -0.256 9.033 -2.635 1.00 1.00 H +ATOM 102 HD2 LYS A 8 -0.639 10.838 -4.504 1.00 1.00 H +ATOM 103 HD3 LYS A 8 -0.924 11.948 -3.179 1.00 1.00 H +ATOM 104 HE2 LYS A 8 1.292 11.971 -2.537 1.00 1.00 H +ATOM 105 HE3 LYS A 8 1.516 10.265 -2.867 1.00 1.00 H +ATOM 106 HZ1 LYS A 8 1.043 11.838 -5.211 1.00 1.00 H +ATOM 107 HZ2 LYS A 8 2.437 12.251 -4.451 1.00 1.00 H +ATOM 108 HZ3 LYS A 8 2.200 10.698 -4.922 1.00 1.00 H +ATOM 109 N HIS A 9 -4.368 11.202 -3.698 1.00 1.00 N +ATOM 110 CA HIS A 9 -5.153 12.330 -4.167 1.00 1.00 C +ATOM 111 C HIS A 9 -6.641 11.973 -4.122 1.00 1.00 C +ATOM 112 O HIS A 9 -7.000 10.827 -3.859 1.00 1.00 O +ATOM 113 CB HIS A 9 -4.693 12.773 -5.558 1.00 1.00 C +ATOM 114 CG HIS A 9 -3.302 13.359 -5.585 1.00 1.00 C +ATOM 115 ND1 HIS A 9 -2.378 13.146 -4.577 1.00 1.00 N +ATOM 116 CD2 HIS A 9 -2.688 14.153 -6.509 1.00 1.00 C +ATOM 117 CE1 HIS A 9 -1.261 13.788 -4.891 1.00 1.00 C +ATOM 118 NE2 HIS A 9 -1.456 14.412 -6.088 1.00 1.00 N +ATOM 119 H HIS A 9 -3.919 10.671 -4.417 1.00 1.00 H +ATOM 120 HA HIS A 9 -4.965 13.151 -3.477 1.00 1.00 H +ATOM 121 HB2 HIS A 9 -4.727 11.915 -6.230 1.00 1.00 H +ATOM 122 HB3 HIS A 9 -5.395 13.511 -5.944 1.00 1.00 H +ATOM 123 HD1 HIS A 9 -2.527 12.600 -3.752 1.00 1.00 H +ATOM 124 HD2 HIS A 9 -3.134 14.513 -7.437 1.00 1.00 H +ATOM 125 HE1 HIS A 9 -0.348 13.813 -4.296 1.00 1.00 H +ATOM 126 N SER A 10 -7.465 12.978 -4.380 1.00 1.00 N +ATOM 127 CA SER A 10 -8.906 12.785 -4.372 1.00 1.00 C +ATOM 128 C SER A 10 -9.359 12.176 -5.699 1.00 1.00 C +ATOM 129 O SER A 10 -10.480 12.415 -6.146 1.00 1.00 O +ATOM 130 CB SER A 10 -9.635 14.105 -4.117 1.00 1.00 C +ATOM 131 OG SER A 10 -11.038 13.916 -3.951 1.00 1.00 O +ATOM 132 H SER A 10 -7.164 13.909 -4.593 1.00 1.00 H +ATOM 133 HA SER A 10 -9.100 12.098 -3.549 1.00 1.00 H +ATOM 134 HB2 SER A 10 -9.227 14.580 -3.224 1.00 1.00 H +ATOM 135 HB3 SER A 10 -9.457 14.786 -4.949 1.00 1.00 H +ATOM 136 HG SER A 10 -11.518 14.786 -4.070 1.00 1.00 H +ATOM 137 N TRP A 11 -8.466 11.399 -6.295 1.00 1.00 N +ATOM 138 CA TRP A 11 -8.760 10.754 -7.562 1.00 1.00 C +ATOM 139 C TRP A 11 -7.976 9.441 -7.617 1.00 1.00 C +ATOM 140 O TRP A 11 -8.020 8.731 -8.620 1.00 1.00 O +ATOM 141 CB TRP A 11 -8.453 11.684 -8.737 1.00 1.00 C +ATOM 142 CG TRP A 11 -7.075 12.346 -8.663 1.00 1.00 C +ATOM 143 CD1 TRP A 11 -6.790 13.634 -8.430 1.00 1.00 C +ATOM 144 CD2 TRP A 11 -5.799 11.693 -8.832 1.00 1.00 C +ATOM 145 NE1 TRP A 11 -5.428 13.859 -8.438 1.00 1.00 N +ATOM 146 CE2 TRP A 11 -4.807 12.642 -8.690 1.00 1.00 C +ATOM 147 CE3 TRP A 11 -5.493 10.347 -9.096 1.00 1.00 C +ATOM 148 CZ2 TRP A 11 -3.442 12.345 -8.796 1.00 1.00 C +ATOM 149 CZ3 TRP A 11 -4.125 10.067 -9.200 1.00 1.00 C +ATOM 150 CH2 TRP A 11 -3.114 11.010 -9.059 1.00 1.00 C +ATOM 151 H TRP A 11 -7.556 11.210 -5.925 1.00 1.00 H +ATOM 152 HA TRP A 11 -9.831 10.549 -7.590 1.00 1.00 H +ATOM 153 HB2 TRP A 11 -8.523 11.118 -9.664 1.00 1.00 H +ATOM 154 HB3 TRP A 11 -9.216 12.463 -8.779 1.00 1.00 H +ATOM 155 HD1 TRP A 11 -7.538 14.406 -8.257 1.00 1.00 H +ATOM 156 HE1 TRP A 11 -4.931 14.815 -8.276 1.00 1.00 H +ATOM 157 HE3 TRP A 11 -6.259 9.579 -9.213 1.00 1.00 H +ATOM 158 HZ2 TRP A 11 -2.676 13.113 -8.679 1.00 1.00 H +ATOM 159 HZ3 TRP A 11 -3.832 9.036 -9.404 1.00 1.00 H +ATOM 160 HH2 TRP A 11 -2.070 10.712 -9.154 1.00 1.00 H +ATOM 161 N TYR A 12 -7.276 9.160 -6.528 1.00 1.00 N +ATOM 162 CA TYR A 12 -6.483 7.946 -6.441 1.00 1.00 C +ATOM 163 C TYR A 12 -6.990 7.040 -5.317 1.00 1.00 C +ATOM 164 O TYR A 12 -6.904 7.393 -4.143 1.00 1.00 O +ATOM 165 CB TYR A 12 -5.058 8.397 -6.113 1.00 1.00 C +ATOM 166 CG TYR A 12 -3.992 7.333 -6.381 1.00 1.00 C +ATOM 167 CD1 TYR A 12 -3.741 6.918 -7.674 1.00 1.00 C +ATOM 168 CD2 TYR A 12 -3.279 6.788 -5.332 1.00 1.00 C +ATOM 169 CE1 TYR A 12 -2.738 5.917 -7.927 1.00 1.00 C +ATOM 170 CE2 TYR A 12 -2.276 5.788 -5.586 1.00 1.00 C +ATOM 171 CZ TYR A 12 -2.055 5.401 -6.871 1.00 1.00 C +ATOM 172 OH TYR A 12 -1.108 4.456 -7.111 1.00 1.00 O +ATOM 173 H TYR A 12 -7.247 9.745 -5.717 1.00 1.00 H +ATOM 174 HA TYR A 12 -6.569 7.419 -7.390 1.00 1.00 H +ATOM 175 HB2 TYR A 12 -4.825 9.286 -6.697 1.00 1.00 H +ATOM 176 HB3 TYR A 12 -5.011 8.684 -5.062 1.00 1.00 H +ATOM 177 HD1 TYR A 12 -4.304 7.348 -8.502 1.00 1.00 H +ATOM 178 HD2 TYR A 12 -3.477 7.116 -4.311 1.00 1.00 H +ATOM 179 HE1 TYR A 12 -2.531 5.581 -8.943 1.00 1.00 H +ATOM 180 HE2 TYR A 12 -1.706 5.349 -4.766 1.00 1.00 H +ATOM 181 HH TYR A 12 -1.388 3.582 -6.713 1.00 1.00 H +ATOM 182 N HIS A 13 -7.508 5.887 -5.719 1.00 1.00 N +ATOM 183 CA HIS A 13 -8.029 4.928 -4.761 1.00 1.00 C +ATOM 184 C HIS A 13 -7.135 3.687 -4.739 1.00 1.00 C +ATOM 185 O HIS A 13 -6.565 3.346 -3.704 1.00 1.00 O +ATOM 186 CB HIS A 13 -9.493 4.598 -5.063 1.00 1.00 C +ATOM 187 CG HIS A 13 -9.927 4.957 -6.465 1.00 1.00 C +ATOM 188 ND1 HIS A 13 -10.645 4.093 -7.272 1.00 1.00 N +ATOM 189 CD2 HIS A 13 -9.735 6.095 -7.193 1.00 1.00 C +ATOM 190 CE1 HIS A 13 -10.872 4.694 -8.430 1.00 1.00 C +ATOM 191 NE2 HIS A 13 -10.306 5.934 -8.380 1.00 1.00 N +ATOM 192 H HIS A 13 -7.574 5.608 -6.675 1.00 1.00 H +ATOM 193 HA HIS A 13 -7.993 5.409 -3.784 1.00 1.00 H +ATOM 194 HB2 HIS A 13 -9.654 3.532 -4.906 1.00 1.00 H +ATOM 195 HB3 HIS A 13 -10.128 5.126 -4.352 1.00 1.00 H +ATOM 196 HD1 HIS A 13 -10.944 3.172 -7.021 1.00 1.00 H +ATOM 197 HD2 HIS A 13 -9.204 6.985 -6.856 1.00 1.00 H +ATOM 198 HE1 HIS A 13 -11.413 4.270 -9.276 1.00 1.00 H +ATOM 199 N GLY A 14 -7.039 3.045 -5.895 1.00 1.00 N +ATOM 200 CA GLY A 14 -6.223 1.850 -6.020 1.00 1.00 C +ATOM 201 C GLY A 14 -6.075 1.439 -7.487 1.00 1.00 C +ATOM 202 O GLY A 14 -6.380 2.220 -8.387 1.00 1.00 O +ATOM 203 H GLY A 14 -7.506 3.329 -6.732 1.00 1.00 H +ATOM 204 HA2 GLY A 14 -5.238 2.030 -5.589 1.00 1.00 H +ATOM 205 HA3 GLY A 14 -6.675 1.036 -5.455 1.00 1.00 H +ATOM 206 N PRO A 15 -5.595 0.182 -7.687 1.00 1.00 N +ATOM 207 CA PRO A 15 -5.404 -0.340 -9.029 1.00 1.00 C +ATOM 208 C PRO A 15 -6.742 -0.715 -9.668 1.00 1.00 C +ATOM 209 O PRO A 15 -7.523 -1.467 -9.088 1.00 1.00 O +ATOM 210 CB PRO A 15 -4.473 -1.532 -8.857 1.00 1.00 C +ATOM 211 CG PRO A 15 -4.552 -1.914 -7.388 1.00 1.00 C +ATOM 212 CD PRO A 15 -5.222 -0.769 -6.644 1.00 1.00 C +ATOM 213 HA PRO A 15 -5.003 0.359 -9.620 1.00 1.00 H +ATOM 214 HB2 PRO A 15 -4.783 -2.362 -9.493 1.00 1.00 H +ATOM 215 HB3 PRO A 15 -3.453 -1.275 -9.141 1.00 1.00 H +ATOM 216 HG2 PRO A 15 -5.120 -2.835 -7.262 1.00 1.00 H +ATOM 217 HG3 PRO A 15 -3.555 -2.096 -6.988 1.00 1.00 H +ATOM 218 HD2 PRO A 15 -6.097 -1.113 -6.093 1.00 1.00 H +ATOM 219 HD3 PRO A 15 -4.546 -0.317 -5.919 1.00 1.00 H +ATOM 220 N VAL A 16 -6.967 -0.170 -10.856 1.00 1.00 N +ATOM 221 CA VAL A 16 -8.198 -0.435 -11.580 1.00 1.00 C +ATOM 222 C VAL A 16 -7.860 -0.882 -13.003 1.00 1.00 C +ATOM 223 O VAL A 16 -7.090 -0.222 -13.699 1.00 1.00 O +ATOM 224 CB VAL A 16 -9.107 0.795 -11.539 1.00 1.00 C +ATOM 225 CG1 VAL A 16 -10.202 0.703 -12.602 1.00 1.00 C +ATOM 226 CG2 VAL A 16 -9.707 0.985 -10.145 1.00 1.00 C +ATOM 227 H VAL A 16 -6.326 0.442 -11.320 1.00 1.00 H +ATOM 228 HA VAL A 16 -8.710 -1.251 -11.068 1.00 1.00 H +ATOM 229 HB VAL A 16 -8.494 1.670 -11.761 1.00 1.00 H +ATOM 230 HG11 VAL A 16 -10.207 -0.298 -13.033 1.00 1.00 H +ATOM 231 HG12 VAL A 16 -11.170 0.907 -12.144 1.00 1.00 H +ATOM 232 HG13 VAL A 16 -10.009 1.435 -13.387 1.00 1.00 H +ATOM 233 HG21 VAL A 16 -9.504 0.104 -9.538 1.00 1.00 H +ATOM 234 HG22 VAL A 16 -9.264 1.862 -9.674 1.00 1.00 H +ATOM 235 HG23 VAL A 16 -10.786 1.125 -10.231 1.00 1.00 H +ATOM 236 N SER A 17 -8.452 -2.001 -13.394 1.00 1.00 N +ATOM 237 CA SER A 17 -8.224 -2.544 -14.723 1.00 1.00 C +ATOM 238 C SER A 17 -9.006 -1.736 -15.761 1.00 1.00 C +ATOM 239 O SER A 17 -10.022 -1.122 -15.437 1.00 1.00 O +ATOM 240 CB SER A 17 -8.622 -4.019 -14.792 1.00 1.00 C +ATOM 241 OG SER A 17 -9.961 -4.232 -14.356 1.00 1.00 O +ATOM 242 H SER A 17 -9.077 -2.533 -12.822 1.00 1.00 H +ATOM 243 HA SER A 17 -7.152 -2.448 -14.893 1.00 1.00 H +ATOM 244 HB2 SER A 17 -8.512 -4.379 -15.815 1.00 1.00 H +ATOM 245 HB3 SER A 17 -7.941 -4.606 -14.174 1.00 1.00 H +ATOM 246 HG SER A 17 -10.503 -4.633 -15.094 1.00 1.00 H +ATOM 247 N ARG A 18 -8.502 -1.759 -16.985 1.00 1.00 N +ATOM 248 CA ARG A 18 -9.141 -1.036 -18.072 1.00 1.00 C +ATOM 249 C ARG A 18 -10.554 -1.573 -18.308 1.00 1.00 C +ATOM 250 O ARG A 18 -11.518 -0.810 -18.321 1.00 1.00 O +ATOM 251 CB ARG A 18 -8.333 -1.160 -19.366 1.00 1.00 C +ATOM 252 CG ARG A 18 -9.244 -1.473 -20.553 1.00 1.00 C +ATOM 253 CD ARG A 18 -8.498 -1.298 -21.879 1.00 1.00 C +ATOM 254 NE ARG A 18 -9.266 -1.923 -22.978 1.00 1.00 N +ATOM 255 CZ ARG A 18 -8.809 -2.063 -24.230 1.00 1.00 C +ATOM 256 NH1 ARG A 18 -7.583 -1.624 -24.547 1.00 1.00 N +ATOM 257 NH2 ARG A 18 -9.576 -2.643 -25.162 1.00 1.00 N +ATOM 258 H ARG A 18 -7.675 -2.261 -17.240 1.00 1.00 H +ATOM 259 HA ARG A 18 -9.165 0.001 -17.740 1.00 1.00 H +ATOM 260 HB2 ARG A 18 -7.794 -0.231 -19.551 1.00 1.00 H +ATOM 261 HB3 ARG A 18 -7.585 -1.945 -19.258 1.00 1.00 H +ATOM 262 HG2 ARG A 18 -9.615 -2.495 -20.473 1.00 1.00 H +ATOM 263 HG3 ARG A 18 -10.114 -0.816 -20.533 1.00 1.00 H +ATOM 264 HD2 ARG A 18 -8.350 -0.238 -22.084 1.00 1.00 H +ATOM 265 HD3 ARG A 18 -7.509 -1.752 -21.811 1.00 1.00 H +ATOM 266 HE ARG A 18 -10.186 -2.263 -22.774 1.00 1.00 H +ATOM 267 HH11 ARG A 18 -7.010 -1.191 -23.850 1.00 1.00 H +ATOM 268 HH12 ARG A 18 -7.241 -1.727 -25.482 1.00 1.00 H +ATOM 269 HH21 ARG A 18 -10.489 -2.971 -24.926 1.00 1.00 H +ATOM 270 HH22 ARG A 18 -9.233 -2.747 -26.096 1.00 1.00 H +ATOM 271 N ASN A 19 -10.632 -2.883 -18.491 1.00 1.00 N +ATOM 272 CA ASN A 19 -11.911 -3.531 -18.726 1.00 1.00 C +ATOM 273 C ASN A 19 -12.935 -3.009 -17.716 1.00 1.00 C +ATOM 274 O ASN A 19 -14.001 -2.530 -18.098 1.00 1.00 O +ATOM 275 CB ASN A 19 -11.802 -5.047 -18.549 1.00 1.00 C +ATOM 276 CG ASN A 19 -10.759 -5.402 -17.487 1.00 1.00 C +ATOM 277 OD1 ASN A 19 -11.050 -5.523 -16.309 1.00 1.00 O +ATOM 278 ND2 ASN A 19 -9.529 -5.560 -17.970 1.00 1.00 N +ATOM 279 H ASN A 19 -9.844 -3.498 -18.479 1.00 1.00 H +ATOM 280 HA ASN A 19 -12.173 -3.280 -19.754 1.00 1.00 H +ATOM 281 HB2 ASN A 19 -12.771 -5.455 -18.262 1.00 1.00 H +ATOM 282 HB3 ASN A 19 -11.530 -5.509 -19.497 1.00 1.00 H +ATOM 283 HD21 ASN A 19 -9.357 -5.447 -18.948 1.00 1.00 H +ATOM 284 HD22 ASN A 19 -8.776 -5.794 -17.354 1.00 1.00 H +ATOM 285 N ALA A 20 -12.576 -3.123 -16.446 1.00 1.00 N +ATOM 286 CA ALA A 20 -13.451 -2.668 -15.378 1.00 1.00 C +ATOM 287 C ALA A 20 -13.658 -1.158 -15.502 1.00 1.00 C +ATOM 288 O ALA A 20 -14.783 -0.671 -15.387 1.00 1.00 O +ATOM 289 CB ALA A 20 -12.854 -3.065 -14.025 1.00 1.00 C +ATOM 290 H ALA A 20 -11.706 -3.514 -16.142 1.00 1.00 H +ATOM 291 HA ALA A 20 -14.410 -3.170 -15.499 1.00 1.00 H +ATOM 292 HB1 ALA A 20 -12.115 -3.852 -14.171 1.00 1.00 H +ATOM 293 HB2 ALA A 20 -12.376 -2.197 -13.571 1.00 1.00 H +ATOM 294 HB3 ALA A 20 -13.647 -3.428 -13.372 1.00 1.00 H +ATOM 295 N ALA A 21 -12.559 -0.458 -15.735 1.00 1.00 N +ATOM 296 CA ALA A 21 -12.607 0.987 -15.878 1.00 1.00 C +ATOM 297 C ALA A 21 -13.819 1.372 -16.726 1.00 1.00 C +ATOM 298 O ALA A 21 -14.805 1.895 -16.207 1.00 1.00 O +ATOM 299 CB ALA A 21 -11.291 1.485 -16.479 1.00 1.00 C +ATOM 300 H ALA A 21 -11.648 -0.862 -15.828 1.00 1.00 H +ATOM 301 HA ALA A 21 -12.720 1.415 -14.881 1.00 1.00 H +ATOM 302 HB1 ALA A 21 -10.456 1.096 -15.899 1.00 1.00 H +ATOM 303 HB2 ALA A 21 -11.210 1.140 -17.510 1.00 1.00 H +ATOM 304 HB3 ALA A 21 -11.272 2.575 -16.459 1.00 1.00 H +ATOM 305 N GLU A 22 -13.708 1.100 -18.018 1.00 1.00 N +ATOM 306 CA GLU A 22 -14.784 1.410 -18.944 1.00 1.00 C +ATOM 307 C GLU A 22 -16.134 1.023 -18.339 1.00 1.00 C +ATOM 308 O GLU A 22 -17.126 1.726 -18.521 1.00 1.00 O +ATOM 309 CB GLU A 22 -14.566 0.717 -20.290 1.00 1.00 C +ATOM 310 CG GLU A 22 -13.360 -0.221 -20.234 1.00 1.00 C +ATOM 311 CD GLU A 22 -13.267 -1.070 -21.504 1.00 1.00 C +ATOM 312 OE1 GLU A 22 -13.258 -0.461 -22.596 1.00 1.00 O +ATOM 313 OE2 GLU A 22 -13.206 -2.310 -21.355 1.00 1.00 O +ATOM 314 H GLU A 22 -12.903 0.675 -18.433 1.00 1.00 H +ATOM 315 HA GLU A 22 -14.739 2.490 -19.087 1.00 1.00 H +ATOM 316 HB2 GLU A 22 -15.459 0.153 -20.561 1.00 1.00 H +ATOM 317 HB3 GLU A 22 -14.414 1.465 -21.068 1.00 1.00 H +ATOM 318 HG2 GLU A 22 -12.446 0.361 -20.115 1.00 1.00 H +ATOM 319 HG3 GLU A 22 -13.439 -0.872 -19.363 1.00 1.00 H +ATOM 320 N TYR A 23 -16.130 -0.098 -17.631 1.00 1.00 N +ATOM 321 CA TYR A 23 -17.342 -0.587 -16.998 1.00 1.00 C +ATOM 322 C TYR A 23 -17.681 0.233 -15.752 1.00 1.00 C +ATOM 323 O TYR A 23 -18.630 1.017 -15.760 1.00 1.00 O +ATOM 324 CB TYR A 23 -17.045 -2.029 -16.577 1.00 1.00 C +ATOM 325 CG TYR A 23 -18.256 -2.774 -16.010 1.00 1.00 C +ATOM 326 CD1 TYR A 23 -18.699 -2.497 -14.733 1.00 1.00 C +ATOM 327 CD2 TYR A 23 -18.904 -3.722 -16.777 1.00 1.00 C +ATOM 328 CE1 TYR A 23 -19.838 -3.198 -14.200 1.00 1.00 C +ATOM 329 CE2 TYR A 23 -20.043 -4.422 -16.243 1.00 1.00 C +ATOM 330 CZ TYR A 23 -20.454 -4.125 -14.980 1.00 1.00 C +ATOM 331 OH TYR A 23 -21.529 -4.788 -14.477 1.00 1.00 O +ATOM 332 H TYR A 23 -15.318 -0.665 -17.487 1.00 1.00 H +ATOM 333 HA TYR A 23 -18.156 -0.498 -17.715 1.00 1.00 H +ATOM 334 HB2 TYR A 23 -16.665 -2.578 -17.441 1.00 1.00 H +ATOM 335 HB3 TYR A 23 -16.252 -2.022 -15.830 1.00 1.00 H +ATOM 336 HD1 TYR A 23 -18.187 -1.748 -14.128 1.00 1.00 H +ATOM 337 HD2 TYR A 23 -18.553 -3.939 -17.786 1.00 1.00 H +ATOM 338 HE1 TYR A 23 -20.199 -2.990 -13.192 1.00 1.00 H +ATOM 339 HE2 TYR A 23 -20.564 -5.173 -16.837 1.00 1.00 H +ATOM 340 HH TYR A 23 -22.186 -4.977 -15.206 1.00 1.00 H +ATOM 341 N LEU A 24 -16.887 0.028 -14.712 1.00 1.00 N +ATOM 342 CA LEU A 24 -17.091 0.740 -13.461 1.00 1.00 C +ATOM 343 C LEU A 24 -17.361 2.216 -13.759 1.00 1.00 C +ATOM 344 O LEU A 24 -18.286 2.806 -13.203 1.00 1.00 O +ATOM 345 CB LEU A 24 -15.911 0.509 -12.514 1.00 1.00 C +ATOM 346 CG LEU A 24 -14.545 0.976 -13.019 1.00 1.00 C +ATOM 347 CD1 LEU A 24 -14.212 2.371 -12.485 1.00 1.00 C +ATOM 348 CD2 LEU A 24 -13.457 -0.043 -12.678 1.00 1.00 C +ATOM 349 H LEU A 24 -16.118 -0.611 -14.713 1.00 1.00 H +ATOM 350 HA LEU A 24 -17.975 0.315 -12.985 1.00 1.00 H +ATOM 351 HB2 LEU A 24 -16.124 1.016 -11.574 1.00 1.00 H +ATOM 352 HB3 LEU A 24 -15.850 -0.557 -12.295 1.00 1.00 H +ATOM 353 HG LEU A 24 -14.589 1.050 -14.106 1.00 1.00 H +ATOM 354 HD11 LEU A 24 -15.021 2.717 -11.842 1.00 1.00 H +ATOM 355 HD12 LEU A 24 -13.286 2.329 -11.912 1.00 1.00 H +ATOM 356 HD13 LEU A 24 -14.091 3.061 -13.321 1.00 1.00 H +ATOM 357 HD21 LEU A 24 -13.887 -1.044 -12.667 1.00 1.00 H +ATOM 358 HD22 LEU A 24 -12.666 0.004 -13.427 1.00 1.00 H +ATOM 359 HD23 LEU A 24 -13.041 0.183 -11.696 1.00 1.00 H +ATOM 360 N LEU A 25 -16.537 2.770 -14.635 1.00 1.00 N +ATOM 361 CA LEU A 25 -16.676 4.167 -15.013 1.00 1.00 C +ATOM 362 C LEU A 25 -18.103 4.418 -15.504 1.00 1.00 C +ATOM 363 O LEU A 25 -18.355 4.439 -16.709 1.00 1.00 O +ATOM 364 CB LEU A 25 -15.599 4.557 -16.027 1.00 1.00 C +ATOM 365 CG LEU A 25 -15.717 5.959 -16.627 1.00 1.00 C +ATOM 366 CD1 LEU A 25 -14.383 6.704 -16.550 1.00 1.00 C +ATOM 367 CD2 LEU A 25 -16.261 5.901 -18.057 1.00 1.00 C +ATOM 368 H LEU A 25 -15.787 2.284 -15.084 1.00 1.00 H +ATOM 369 HA LEU A 25 -16.507 4.766 -14.119 1.00 1.00 H +ATOM 370 HB2 LEU A 25 -14.625 4.471 -15.544 1.00 1.00 H +ATOM 371 HB3 LEU A 25 -15.615 3.832 -16.842 1.00 1.00 H +ATOM 372 HG LEU A 25 -16.435 6.525 -16.034 1.00 1.00 H +ATOM 373 HD11 LEU A 25 -13.825 6.358 -15.681 1.00 1.00 H +ATOM 374 HD12 LEU A 25 -13.807 6.508 -17.454 1.00 1.00 H +ATOM 375 HD13 LEU A 25 -14.569 7.774 -16.461 1.00 1.00 H +ATOM 376 HD21 LEU A 25 -16.767 4.948 -18.214 1.00 1.00 H +ATOM 377 HD22 LEU A 25 -16.966 6.716 -18.211 1.00 1.00 H +ATOM 378 HD23 LEU A 25 -15.435 5.995 -18.762 1.00 1.00 H +ATOM 379 N SER A 26 -19.000 4.605 -14.546 1.00 1.00 N +ATOM 380 CA SER A 26 -20.395 4.854 -14.867 1.00 1.00 C +ATOM 381 C SER A 26 -20.612 6.346 -15.130 1.00 1.00 C +ATOM 382 O SER A 26 -21.114 7.066 -14.267 1.00 1.00 O +ATOM 383 CB SER A 26 -21.313 4.374 -13.740 1.00 1.00 C +ATOM 384 OG SER A 26 -22.680 4.683 -13.997 1.00 1.00 O +ATOM 385 H SER A 26 -18.786 4.586 -13.570 1.00 1.00 H +ATOM 386 HA SER A 26 -20.593 4.274 -15.767 1.00 1.00 H +ATOM 387 HB2 SER A 26 -21.202 3.298 -13.616 1.00 1.00 H +ATOM 388 HB3 SER A 26 -21.006 4.837 -12.802 1.00 1.00 H +ATOM 389 HG SER A 26 -22.910 5.571 -13.600 1.00 1.00 H +ATOM 390 N SER A 27 -20.224 6.765 -16.324 1.00 1.00 N +ATOM 391 CA SER A 27 -20.370 8.159 -16.713 1.00 1.00 C +ATOM 392 C SER A 27 -19.498 9.045 -15.821 1.00 1.00 C +ATOM 393 O SER A 27 -18.355 9.341 -16.165 1.00 1.00 O +ATOM 394 CB SER A 27 -21.832 8.602 -16.632 1.00 1.00 C +ATOM 395 OG SER A 27 -21.957 10.019 -16.540 1.00 1.00 O +ATOM 396 H SER A 27 -19.816 6.174 -17.020 1.00 1.00 H +ATOM 397 HA SER A 27 -20.033 8.208 -17.748 1.00 1.00 H +ATOM 398 HB2 SER A 27 -22.369 8.248 -17.513 1.00 1.00 H +ATOM 399 HB3 SER A 27 -22.305 8.139 -15.765 1.00 1.00 H +ATOM 400 HG SER A 27 -22.315 10.387 -17.398 1.00 1.00 H +ATOM 401 N GLY A 28 -20.068 9.440 -14.693 1.00 1.00 N +ATOM 402 CA GLY A 28 -19.358 10.286 -13.751 1.00 1.00 C +ATOM 403 C GLY A 28 -19.485 11.762 -14.133 1.00 1.00 C +ATOM 404 O GLY A 28 -20.562 12.345 -14.025 1.00 1.00 O +ATOM 405 H GLY A 28 -20.999 9.195 -14.422 1.00 1.00 H +ATOM 406 HA2 GLY A 28 -19.753 10.132 -12.747 1.00 1.00 H +ATOM 407 HA3 GLY A 28 -18.306 10.003 -13.725 1.00 1.00 H +ATOM 408 N ILE A 29 -18.369 12.324 -14.574 1.00 1.00 N +ATOM 409 CA ILE A 29 -18.342 13.721 -14.974 1.00 1.00 C +ATOM 410 C ILE A 29 -18.211 13.809 -16.496 1.00 1.00 C +ATOM 411 O ILE A 29 -18.166 12.787 -17.179 1.00 1.00 O +ATOM 412 CB ILE A 29 -17.244 14.473 -14.219 1.00 1.00 C +ATOM 413 CG1 ILE A 29 -16.214 13.502 -13.638 1.00 1.00 C +ATOM 414 CG2 ILE A 29 -17.842 15.383 -13.145 1.00 1.00 C +ATOM 415 CD1 ILE A 29 -15.177 14.244 -12.793 1.00 1.00 C +ATOM 416 H ILE A 29 -17.496 11.843 -14.660 1.00 1.00 H +ATOM 417 HA ILE A 29 -19.294 14.163 -14.683 1.00 1.00 H +ATOM 418 HB ILE A 29 -16.718 15.114 -14.927 1.00 1.00 H +ATOM 419 HG12 ILE A 29 -16.719 12.755 -13.026 1.00 1.00 H +ATOM 420 HG13 ILE A 29 -15.715 12.969 -14.447 1.00 1.00 H +ATOM 421 HG21 ILE A 29 -18.745 14.925 -12.740 1.00 1.00 H +ATOM 422 HG22 ILE A 29 -17.118 15.526 -12.344 1.00 1.00 H +ATOM 423 HG23 ILE A 29 -18.092 16.350 -13.585 1.00 1.00 H +ATOM 424 HD11 ILE A 29 -15.253 15.315 -12.981 1.00 1.00 H +ATOM 425 HD12 ILE A 29 -15.359 14.046 -11.737 1.00 1.00 H +ATOM 426 HD13 ILE A 29 -14.177 13.900 -13.060 1.00 1.00 H +ATOM 427 N ASN A 30 -18.156 15.040 -16.983 1.00 1.00 N +ATOM 428 CA ASN A 30 -18.032 15.275 -18.412 1.00 1.00 C +ATOM 429 C ASN A 30 -16.608 14.937 -18.859 1.00 1.00 C +ATOM 430 O ASN A 30 -16.292 15.012 -20.045 1.00 1.00 O +ATOM 431 CB ASN A 30 -18.299 16.742 -18.754 1.00 1.00 C +ATOM 432 CG ASN A 30 -17.466 17.672 -17.871 1.00 1.00 C +ATOM 433 OD1 ASN A 30 -16.261 17.801 -18.023 1.00 1.00 O +ATOM 434 ND2 ASN A 30 -18.170 18.311 -16.942 1.00 1.00 N +ATOM 435 H ASN A 30 -18.194 15.867 -16.420 1.00 1.00 H +ATOM 436 HA ASN A 30 -18.779 14.629 -18.874 1.00 1.00 H +ATOM 437 HB2 ASN A 30 -18.065 16.923 -19.803 1.00 1.00 H +ATOM 438 HB3 ASN A 30 -19.359 16.962 -18.621 1.00 1.00 H +ATOM 439 HD21 ASN A 30 -19.156 18.160 -16.870 1.00 1.00 H +ATOM 440 HD22 ASN A 30 -17.713 18.943 -16.314 1.00 1.00 H +ATOM 441 N GLY A 31 -15.788 14.574 -17.883 1.00 1.00 N +ATOM 442 CA GLY A 31 -14.405 14.225 -18.162 1.00 1.00 C +ATOM 443 C GLY A 31 -13.695 13.743 -16.894 1.00 1.00 C +ATOM 444 O GLY A 31 -13.357 14.545 -16.026 1.00 1.00 O +ATOM 445 H GLY A 31 -16.053 14.516 -16.922 1.00 1.00 H +ATOM 446 HA2 GLY A 31 -14.369 13.442 -18.921 1.00 1.00 H +ATOM 447 HA3 GLY A 31 -13.882 15.089 -18.569 1.00 1.00 H +ATOM 448 N SER A 32 -13.489 12.436 -16.829 1.00 1.00 N +ATOM 449 CA SER A 32 -12.826 11.839 -15.682 1.00 1.00 C +ATOM 450 C SER A 32 -11.731 10.880 -16.152 1.00 1.00 C +ATOM 451 O SER A 32 -11.888 10.201 -17.166 1.00 1.00 O +ATOM 452 CB SER A 32 -13.827 11.105 -14.788 1.00 1.00 C +ATOM 453 OG SER A 32 -14.033 11.782 -13.551 1.00 1.00 O +ATOM 454 H SER A 32 -13.767 11.791 -17.540 1.00 1.00 H +ATOM 455 HA SER A 32 -12.392 12.676 -15.132 1.00 1.00 H +ATOM 456 HB2 SER A 32 -14.778 11.008 -15.312 1.00 1.00 H +ATOM 457 HB3 SER A 32 -13.466 10.096 -14.592 1.00 1.00 H +ATOM 458 HG SER A 32 -14.480 11.171 -12.898 1.00 1.00 H +ATOM 459 N PHE A 33 -10.644 10.856 -15.394 1.00 1.00 N +ATOM 460 CA PHE A 33 -9.524 9.991 -15.719 1.00 1.00 C +ATOM 461 C PHE A 33 -9.304 8.944 -14.627 1.00 1.00 C +ATOM 462 O PHE A 33 -9.497 9.222 -13.445 1.00 1.00 O +ATOM 463 CB PHE A 33 -8.283 10.883 -15.812 1.00 1.00 C +ATOM 464 CG PHE A 33 -8.492 12.158 -16.631 1.00 1.00 C +ATOM 465 CD1 PHE A 33 -9.680 12.819 -16.568 1.00 1.00 C +ATOM 466 CD2 PHE A 33 -7.492 12.630 -17.422 1.00 1.00 C +ATOM 467 CE1 PHE A 33 -9.874 14.001 -17.329 1.00 1.00 C +ATOM 468 CE2 PHE A 33 -7.686 13.813 -18.184 1.00 1.00 C +ATOM 469 CZ PHE A 33 -8.872 14.474 -18.120 1.00 1.00 C +ATOM 470 H PHE A 33 -10.524 11.411 -14.571 1.00 1.00 H +ATOM 471 HA PHE A 33 -9.763 9.491 -16.658 1.00 1.00 H +ATOM 472 HB2 PHE A 33 -7.971 11.158 -14.805 1.00 1.00 H +ATOM 473 HB3 PHE A 33 -7.468 10.310 -16.254 1.00 1.00 H +ATOM 474 HD1 PHE A 33 -10.481 12.441 -15.935 1.00 1.00 H +ATOM 475 HD2 PHE A 33 -6.541 12.100 -17.472 1.00 1.00 H +ATOM 476 HE1 PHE A 33 -10.825 14.533 -17.278 1.00 1.00 H +ATOM 477 HE2 PHE A 33 -6.884 14.192 -18.817 1.00 1.00 H +ATOM 478 HZ PHE A 33 -9.023 15.383 -18.703 1.00 1.00 H +ATOM 479 N LEU A 34 -8.899 7.758 -15.061 1.00 1.00 N +ATOM 480 CA LEU A 34 -8.652 6.667 -14.135 1.00 1.00 C +ATOM 481 C LEU A 34 -7.153 6.358 -14.108 1.00 1.00 C +ATOM 482 O LEU A 34 -6.431 6.680 -15.050 1.00 1.00 O +ATOM 483 CB LEU A 34 -9.522 5.458 -14.486 1.00 1.00 C +ATOM 484 CG LEU A 34 -10.682 5.169 -13.532 1.00 1.00 C +ATOM 485 CD1 LEU A 34 -11.862 4.544 -14.279 1.00 1.00 C +ATOM 486 CD2 LEU A 34 -10.224 4.302 -12.357 1.00 1.00 C +ATOM 487 H LEU A 34 -8.743 7.539 -16.025 1.00 1.00 H +ATOM 488 HA LEU A 34 -8.954 7.004 -13.145 1.00 1.00 H +ATOM 489 HB2 LEU A 34 -9.928 5.605 -15.486 1.00 1.00 H +ATOM 490 HB3 LEU A 34 -8.883 4.576 -14.527 1.00 1.00 H +ATOM 491 HG LEU A 34 -11.029 6.115 -13.117 1.00 1.00 H +ATOM 492 HD11 LEU A 34 -11.790 4.786 -15.339 1.00 1.00 H +ATOM 493 HD12 LEU A 34 -11.842 3.461 -14.151 1.00 1.00 H +ATOM 494 HD13 LEU A 34 -12.796 4.939 -13.878 1.00 1.00 H +ATOM 495 HD21 LEU A 34 -9.388 3.677 -12.671 1.00 1.00 H +ATOM 496 HD22 LEU A 34 -9.909 4.942 -11.533 1.00 1.00 H +ATOM 497 HD23 LEU A 34 -11.049 3.669 -12.029 1.00 1.00 H +ATOM 498 N VAL A 35 -6.730 5.737 -13.016 1.00 1.00 N +ATOM 499 CA VAL A 35 -5.330 5.383 -12.853 1.00 1.00 C +ATOM 500 C VAL A 35 -5.194 3.858 -12.822 1.00 1.00 C +ATOM 501 O VAL A 35 -6.105 3.160 -12.378 1.00 1.00 O +ATOM 502 CB VAL A 35 -4.760 6.058 -11.604 1.00 1.00 C +ATOM 503 CG1 VAL A 35 -4.731 5.088 -10.421 1.00 1.00 C +ATOM 504 CG2 VAL A 35 -3.369 6.632 -11.877 1.00 1.00 C +ATOM 505 H VAL A 35 -7.322 5.479 -12.254 1.00 1.00 H +ATOM 506 HA VAL A 35 -4.791 5.765 -13.720 1.00 1.00 H +ATOM 507 HB VAL A 35 -5.418 6.887 -11.342 1.00 1.00 H +ATOM 508 HG11 VAL A 35 -5.697 4.591 -10.336 1.00 1.00 H +ATOM 509 HG12 VAL A 35 -3.952 4.344 -10.582 1.00 1.00 H +ATOM 510 HG13 VAL A 35 -4.523 5.640 -9.504 1.00 1.00 H +ATOM 511 HG21 VAL A 35 -2.978 6.211 -12.803 1.00 1.00 H +ATOM 512 HG22 VAL A 35 -3.434 7.717 -11.970 1.00 1.00 H +ATOM 513 HG23 VAL A 35 -2.703 6.378 -11.053 1.00 1.00 H +ATOM 514 N ARG A 36 -4.052 3.387 -13.300 1.00 1.00 N +ATOM 515 CA ARG A 36 -3.787 1.959 -13.333 1.00 1.00 C +ATOM 516 C ARG A 36 -2.434 1.656 -12.686 1.00 1.00 C +ATOM 517 O ARG A 36 -1.667 2.570 -12.388 1.00 1.00 O +ATOM 518 CB ARG A 36 -3.788 1.432 -14.769 1.00 1.00 C +ATOM 519 CG ARG A 36 -5.215 1.165 -15.254 1.00 1.00 C +ATOM 520 CD ARG A 36 -5.535 1.993 -16.500 1.00 1.00 C +ATOM 521 NE ARG A 36 -6.988 1.949 -16.778 1.00 1.00 N +ATOM 522 CZ ARG A 36 -7.545 2.353 -17.926 1.00 1.00 C +ATOM 523 NH1 ARG A 36 -6.776 2.831 -18.913 1.00 1.00 N +ATOM 524 NH2 ARG A 36 -8.873 2.277 -18.090 1.00 1.00 N +ATOM 525 H ARG A 36 -3.317 3.962 -13.660 1.00 1.00 H +ATOM 526 HA ARG A 36 -4.602 1.511 -12.765 1.00 1.00 H +ATOM 527 HB2 ARG A 36 -3.307 2.155 -15.427 1.00 1.00 H +ATOM 528 HB3 ARG A 36 -3.204 0.512 -14.824 1.00 1.00 H +ATOM 529 HG2 ARG A 36 -5.335 0.104 -15.476 1.00 1.00 H +ATOM 530 HG3 ARG A 36 -5.923 1.405 -14.461 1.00 1.00 H +ATOM 531 HD2 ARG A 36 -5.214 3.023 -16.353 1.00 1.00 H +ATOM 532 HD3 ARG A 36 -4.982 1.604 -17.355 1.00 1.00 H +ATOM 533 HE ARG A 36 -7.591 1.597 -16.062 1.00 1.00 H +ATOM 534 HH11 ARG A 36 -5.785 2.888 -18.791 1.00 1.00 H +ATOM 535 HH12 ARG A 36 -7.192 3.133 -19.772 1.00 1.00 H +ATOM 536 HH21 ARG A 36 -9.448 1.921 -17.354 1.00 1.00 H +ATOM 537 HH22 ARG A 36 -9.289 2.579 -18.948 1.00 1.00 H +ATOM 538 N GLU A 37 -2.184 0.370 -12.489 1.00 1.00 N +ATOM 539 CA GLU A 37 -0.937 -0.066 -11.883 1.00 1.00 C +ATOM 540 C GLU A 37 -0.284 -1.154 -12.737 1.00 1.00 C +ATOM 541 O GLU A 37 -0.917 -1.707 -13.636 1.00 1.00 O +ATOM 542 CB GLU A 37 -1.164 -0.554 -10.451 1.00 1.00 C +ATOM 543 CG GLU A 37 0.162 -0.912 -9.778 1.00 1.00 C +ATOM 544 CD GLU A 37 0.003 -0.988 -8.258 1.00 1.00 C +ATOM 545 OE1 GLU A 37 -0.854 -0.238 -7.741 1.00 1.00 O +ATOM 546 OE2 GLU A 37 0.741 -1.790 -7.649 1.00 1.00 O +ATOM 547 H GLU A 37 -2.814 -0.368 -12.735 1.00 1.00 H +ATOM 548 HA GLU A 37 -0.300 0.819 -11.863 1.00 1.00 H +ATOM 549 HB2 GLU A 37 -1.671 0.220 -9.876 1.00 1.00 H +ATOM 550 HB3 GLU A 37 -1.819 -1.426 -10.460 1.00 1.00 H +ATOM 551 HG2 GLU A 37 0.520 -1.870 -10.157 1.00 1.00 H +ATOM 552 HG3 GLU A 37 0.916 -0.167 -10.031 1.00 1.00 H +ATOM 553 N SER A 38 0.975 -1.430 -12.427 1.00 1.00 N +ATOM 554 CA SER A 38 1.720 -2.443 -13.155 1.00 1.00 C +ATOM 555 C SER A 38 0.827 -3.655 -13.427 1.00 1.00 C +ATOM 556 O SER A 38 0.030 -4.047 -12.576 1.00 1.00 O +ATOM 557 CB SER A 38 2.970 -2.868 -12.383 1.00 1.00 C +ATOM 558 OG SER A 38 2.646 -3.538 -11.168 1.00 1.00 O +ATOM 559 H SER A 38 1.482 -0.976 -11.695 1.00 1.00 H +ATOM 560 HA SER A 38 2.015 -1.969 -14.091 1.00 1.00 H +ATOM 561 HB2 SER A 38 3.578 -3.522 -13.007 1.00 1.00 H +ATOM 562 HB3 SER A 38 3.576 -1.989 -12.161 1.00 1.00 H +ATOM 563 HG SER A 38 1.739 -3.257 -10.853 1.00 1.00 H +ATOM 564 N GLU A 39 0.991 -4.217 -14.616 1.00 1.00 N +ATOM 565 CA GLU A 39 0.210 -5.377 -15.010 1.00 1.00 C +ATOM 566 C GLU A 39 0.816 -6.025 -16.256 1.00 1.00 C +ATOM 567 O GLU A 39 0.447 -5.684 -17.379 1.00 1.00 O +ATOM 568 CB GLU A 39 -1.254 -4.999 -15.244 1.00 1.00 C +ATOM 569 CG GLU A 39 -2.172 -6.207 -15.043 1.00 1.00 C +ATOM 570 CD GLU A 39 -2.790 -6.651 -16.368 1.00 1.00 C +ATOM 571 OE1 GLU A 39 -3.010 -5.762 -17.220 1.00 1.00 O +ATOM 572 OE2 GLU A 39 -3.031 -7.870 -16.502 1.00 1.00 O +ATOM 573 H GLU A 39 1.642 -3.893 -15.301 1.00 1.00 H +ATOM 574 HA GLU A 39 0.271 -6.066 -14.168 1.00 1.00 H +ATOM 575 HB2 GLU A 39 -1.541 -4.200 -14.560 1.00 1.00 H +ATOM 576 HB3 GLU A 39 -1.375 -4.610 -16.255 1.00 1.00 H +ATOM 577 HG2 GLU A 39 -1.604 -7.029 -14.607 1.00 1.00 H +ATOM 578 HG3 GLU A 39 -2.961 -5.953 -14.335 1.00 1.00 H +ATOM 579 N SER A 40 1.733 -6.951 -16.017 1.00 1.00 N +ATOM 580 CA SER A 40 2.394 -7.649 -17.106 1.00 1.00 C +ATOM 581 C SER A 40 3.506 -6.776 -17.691 1.00 1.00 C +ATOM 582 O SER A 40 4.063 -7.095 -18.740 1.00 1.00 O +ATOM 583 CB SER A 40 1.394 -8.037 -18.198 1.00 1.00 C +ATOM 584 OG SER A 40 0.194 -8.580 -17.653 1.00 1.00 O +ATOM 585 H SER A 40 2.028 -7.222 -15.100 1.00 1.00 H +ATOM 586 HA SER A 40 2.811 -8.551 -16.659 1.00 1.00 H +ATOM 587 HB2 SER A 40 1.156 -7.160 -18.798 1.00 1.00 H +ATOM 588 HB3 SER A 40 1.852 -8.766 -18.866 1.00 1.00 H +ATOM 589 HG SER A 40 -0.595 -8.061 -17.978 1.00 1.00 H +ATOM 590 N SER A 41 3.796 -5.693 -16.987 1.00 1.00 N +ATOM 591 CA SER A 41 4.832 -4.771 -17.423 1.00 1.00 C +ATOM 592 C SER A 41 6.013 -4.815 -16.452 1.00 1.00 C +ATOM 593 O SER A 41 5.990 -5.559 -15.473 1.00 1.00 O +ATOM 594 CB SER A 41 4.289 -3.345 -17.536 1.00 1.00 C +ATOM 595 OG SER A 41 4.513 -2.789 -18.827 1.00 1.00 O +ATOM 596 H SER A 41 3.338 -5.440 -16.134 1.00 1.00 H +ATOM 597 HA SER A 41 5.134 -5.123 -18.409 1.00 1.00 H +ATOM 598 HB2 SER A 41 3.220 -3.346 -17.320 1.00 1.00 H +ATOM 599 HB3 SER A 41 4.764 -2.717 -16.782 1.00 1.00 H +ATOM 600 HG SER A 41 3.698 -2.298 -19.134 1.00 1.00 H +ATOM 601 N PRO A 42 7.046 -3.986 -16.765 1.00 1.00 N +ATOM 602 CA PRO A 42 8.234 -3.921 -15.931 1.00 1.00 C +ATOM 603 C PRO A 42 7.957 -3.147 -14.641 1.00 1.00 C +ATOM 604 O PRO A 42 8.816 -2.411 -14.159 1.00 1.00 O +ATOM 605 CB PRO A 42 9.290 -3.265 -16.804 1.00 1.00 C +ATOM 606 CG PRO A 42 8.534 -2.567 -17.923 1.00 1.00 C +ATOM 607 CD PRO A 42 7.108 -3.090 -17.916 1.00 1.00 C +ATOM 608 HA PRO A 42 8.506 -4.841 -15.646 1.00 1.00 H +ATOM 609 HB2 PRO A 42 9.883 -2.554 -16.229 1.00 1.00 H +ATOM 610 HB3 PRO A 42 9.982 -4.007 -17.204 1.00 1.00 H +ATOM 611 HG2 PRO A 42 8.546 -1.487 -17.774 1.00 1.00 H +ATOM 612 HG3 PRO A 42 9.009 -2.762 -18.883 1.00 1.00 H +ATOM 613 HD2 PRO A 42 6.388 -2.277 -17.826 1.00 1.00 H +ATOM 614 HD3 PRO A 42 6.875 -3.618 -18.842 1.00 1.00 H +ATOM 615 N GLY A 43 6.755 -3.340 -14.118 1.00 1.00 N +ATOM 616 CA GLY A 43 6.357 -2.670 -12.894 1.00 1.00 C +ATOM 617 C GLY A 43 6.185 -1.166 -13.122 1.00 1.00 C +ATOM 618 O GLY A 43 6.934 -0.361 -12.571 1.00 1.00 O +ATOM 619 H GLY A 43 6.063 -3.941 -14.517 1.00 1.00 H +ATOM 620 HA2 GLY A 43 5.420 -3.095 -12.530 1.00 1.00 H +ATOM 621 HA3 GLY A 43 7.105 -2.841 -12.120 1.00 1.00 H +ATOM 622 N GLN A 44 5.193 -0.833 -13.937 1.00 1.00 N +ATOM 623 CA GLN A 44 4.916 0.560 -14.245 1.00 1.00 C +ATOM 624 C GLN A 44 3.452 0.887 -13.942 1.00 1.00 C +ATOM 625 O GLN A 44 2.725 0.056 -13.399 1.00 1.00 O +ATOM 626 CB GLN A 44 5.258 0.877 -15.702 1.00 1.00 C +ATOM 627 CG GLN A 44 5.170 -0.378 -16.572 1.00 1.00 C +ATOM 628 CD GLN A 44 5.515 -0.060 -18.029 1.00 1.00 C +ATOM 629 OE1 GLN A 44 6.628 -0.260 -18.487 1.00 1.00 O +ATOM 630 NE2 GLN A 44 4.502 0.443 -18.727 1.00 1.00 N +ATOM 631 H GLN A 44 4.588 -1.494 -14.381 1.00 1.00 H +ATOM 632 HA GLN A 44 5.567 1.137 -13.590 1.00 1.00 H +ATOM 633 HB2 GLN A 44 4.575 1.636 -16.082 1.00 1.00 H +ATOM 634 HB3 GLN A 44 6.263 1.294 -15.760 1.00 1.00 H +ATOM 635 HG2 GLN A 44 5.852 -1.139 -16.191 1.00 1.00 H +ATOM 636 HG3 GLN A 44 4.165 -0.794 -16.516 1.00 1.00 H +ATOM 637 HE21 GLN A 44 3.613 0.582 -18.290 1.00 1.00 H +ATOM 638 HE22 GLN A 44 4.629 0.683 -19.690 1.00 1.00 H +ATOM 639 N ARG A 45 3.064 2.101 -14.304 1.00 1.00 N +ATOM 640 CA ARG A 45 1.701 2.550 -14.078 1.00 1.00 C +ATOM 641 C ARG A 45 1.063 2.996 -15.395 1.00 1.00 C +ATOM 642 O ARG A 45 1.766 3.326 -16.349 1.00 1.00 O +ATOM 643 CB ARG A 45 1.660 3.708 -13.080 1.00 1.00 C +ATOM 644 CG ARG A 45 1.431 3.200 -11.657 1.00 1.00 C +ATOM 645 CD ARG A 45 2.693 2.536 -11.102 1.00 1.00 C +ATOM 646 NE ARG A 45 2.750 2.701 -9.632 1.00 1.00 N +ATOM 647 CZ ARG A 45 3.886 2.754 -8.925 1.00 1.00 C +ATOM 648 NH1 ARG A 45 5.067 2.657 -9.548 1.00 1.00 N +ATOM 649 NH2 ARG A 45 3.840 2.906 -7.595 1.00 1.00 N +ATOM 650 H ARG A 45 3.661 2.771 -14.745 1.00 1.00 H +ATOM 651 HA ARG A 45 1.186 1.681 -13.668 1.00 1.00 H +ATOM 652 HB2 ARG A 45 2.596 4.265 -13.127 1.00 1.00 H +ATOM 653 HB3 ARG A 45 0.865 4.402 -13.356 1.00 1.00 H +ATOM 654 HG2 ARG A 45 1.140 4.030 -11.012 1.00 1.00 H +ATOM 655 HG3 ARG A 45 0.607 2.487 -11.649 1.00 1.00 H +ATOM 656 HD2 ARG A 45 2.698 1.476 -11.358 1.00 1.00 H +ATOM 657 HD3 ARG A 45 3.578 2.978 -11.560 1.00 1.00 H +ATOM 658 HE ARG A 45 1.884 2.776 -9.137 1.00 1.00 H +ATOM 659 HH11 ARG A 45 5.102 2.543 -10.541 1.00 1.00 H +ATOM 660 HH12 ARG A 45 5.915 2.697 -9.021 1.00 1.00 H +ATOM 661 HH21 ARG A 45 2.958 2.979 -7.129 1.00 1.00 H +ATOM 662 HH22 ARG A 45 4.688 2.945 -7.066 1.00 1.00 H +ATOM 663 N SER A 46 -0.262 2.991 -15.406 1.00 1.00 N +ATOM 664 CA SER A 46 -1.003 3.392 -16.589 1.00 1.00 C +ATOM 665 C SER A 46 -1.950 4.545 -16.250 1.00 1.00 C +ATOM 666 O SER A 46 -2.104 4.902 -15.083 1.00 1.00 O +ATOM 667 CB SER A 46 -1.788 2.214 -17.173 1.00 1.00 C +ATOM 668 OG SER A 46 -1.682 1.048 -16.362 1.00 1.00 O +ATOM 669 H SER A 46 -0.827 2.721 -14.626 1.00 1.00 H +ATOM 670 HA SER A 46 -0.248 3.715 -17.306 1.00 1.00 H +ATOM 671 HB2 SER A 46 -2.836 2.493 -17.275 1.00 1.00 H +ATOM 672 HB3 SER A 46 -1.418 1.994 -18.175 1.00 1.00 H +ATOM 673 HG SER A 46 -0.909 1.138 -15.732 1.00 1.00 H +ATOM 674 N ILE A 47 -2.560 5.093 -17.291 1.00 1.00 N +ATOM 675 CA ILE A 47 -3.488 6.199 -17.117 1.00 1.00 C +ATOM 676 C ILE A 47 -4.763 5.917 -17.913 1.00 1.00 C +ATOM 677 O ILE A 47 -4.720 5.251 -18.946 1.00 1.00 O +ATOM 678 CB ILE A 47 -2.815 7.524 -17.481 1.00 1.00 C +ATOM 679 CG1 ILE A 47 -2.929 8.530 -16.332 1.00 1.00 C +ATOM 680 CG2 ILE A 47 -3.377 8.083 -18.790 1.00 1.00 C +ATOM 681 CD1 ILE A 47 -1.548 8.885 -15.777 1.00 1.00 C +ATOM 682 H ILE A 47 -2.428 4.796 -18.236 1.00 1.00 H +ATOM 683 HA ILE A 47 -3.743 6.247 -16.059 1.00 1.00 H +ATOM 684 HB ILE A 47 -1.754 7.337 -17.641 1.00 1.00 H +ATOM 685 HG12 ILE A 47 -3.428 9.433 -16.684 1.00 1.00 H +ATOM 686 HG13 ILE A 47 -3.547 8.111 -15.538 1.00 1.00 H +ATOM 687 HG21 ILE A 47 -3.404 7.293 -19.540 1.00 1.00 H +ATOM 688 HG22 ILE A 47 -4.387 8.458 -18.620 1.00 1.00 H +ATOM 689 HG23 ILE A 47 -2.741 8.896 -19.141 1.00 1.00 H +ATOM 690 HD11 ILE A 47 -0.778 8.438 -16.405 1.00 1.00 H +ATOM 691 HD12 ILE A 47 -1.428 9.969 -15.771 1.00 1.00 H +ATOM 692 HD13 ILE A 47 -1.456 8.504 -14.760 1.00 1.00 H +ATOM 693 N SER A 48 -5.868 6.438 -17.401 1.00 1.00 N +ATOM 694 CA SER A 48 -7.155 6.251 -18.051 1.00 1.00 C +ATOM 695 C SER A 48 -7.862 7.599 -18.208 1.00 1.00 C +ATOM 696 O SER A 48 -7.932 8.382 -17.263 1.00 1.00 O +ATOM 697 CB SER A 48 -8.034 5.279 -17.263 1.00 1.00 C +ATOM 698 OG SER A 48 -7.378 4.792 -16.096 1.00 1.00 O +ATOM 699 H SER A 48 -5.895 6.978 -16.561 1.00 1.00 H +ATOM 700 HA SER A 48 -6.926 5.823 -19.028 1.00 1.00 H +ATOM 701 HB2 SER A 48 -8.960 5.779 -16.975 1.00 1.00 H +ATOM 702 HB3 SER A 48 -8.310 4.441 -17.901 1.00 1.00 H +ATOM 703 HG SER A 48 -7.189 3.814 -16.192 1.00 1.00 H +ATOM 704 N LEU A 49 -8.368 7.827 -19.412 1.00 1.00 N +ATOM 705 CA LEU A 49 -9.067 9.067 -19.707 1.00 1.00 C +ATOM 706 C LEU A 49 -10.514 8.753 -20.090 1.00 1.00 C +ATOM 707 O LEU A 49 -10.788 7.720 -20.700 1.00 1.00 O +ATOM 708 CB LEU A 49 -8.311 9.871 -20.766 1.00 1.00 C +ATOM 709 CG LEU A 49 -6.784 9.825 -20.680 1.00 1.00 C +ATOM 710 CD1 LEU A 49 -6.293 10.394 -19.349 1.00 1.00 C +ATOM 711 CD2 LEU A 49 -6.263 8.406 -20.925 1.00 1.00 C +ATOM 712 H LEU A 49 -8.306 7.186 -20.176 1.00 1.00 H +ATOM 713 HA LEU A 49 -9.073 9.663 -18.794 1.00 1.00 H +ATOM 714 HB2 LEU A 49 -8.611 9.509 -21.750 1.00 1.00 H +ATOM 715 HB3 LEU A 49 -8.628 10.911 -20.700 1.00 1.00 H +ATOM 716 HG LEU A 49 -6.378 10.457 -21.471 1.00 1.00 H +ATOM 717 HD11 LEU A 49 -7.110 10.921 -18.854 1.00 1.00 H +ATOM 718 HD12 LEU A 49 -5.947 9.581 -18.710 1.00 1.00 H +ATOM 719 HD13 LEU A 49 -5.471 11.087 -19.530 1.00 1.00 H +ATOM 720 HD21 LEU A 49 -6.957 7.872 -21.573 1.00 1.00 H +ATOM 721 HD22 LEU A 49 -5.285 8.456 -21.401 1.00 1.00 H +ATOM 722 HD23 LEU A 49 -6.178 7.883 -19.972 1.00 1.00 H +ATOM 723 N ARG A 50 -11.403 9.662 -19.716 1.00 1.00 N +ATOM 724 CA ARG A 50 -12.815 9.494 -20.012 1.00 1.00 C +ATOM 725 C ARG A 50 -13.400 10.795 -20.563 1.00 1.00 C +ATOM 726 O ARG A 50 -13.413 11.815 -19.873 1.00 1.00 O +ATOM 727 CB ARG A 50 -13.595 9.080 -18.762 1.00 1.00 C +ATOM 728 CG ARG A 50 -14.887 8.350 -19.140 1.00 1.00 C +ATOM 729 CD ARG A 50 -15.828 9.270 -19.917 1.00 1.00 C +ATOM 730 NE ARG A 50 -16.987 9.641 -19.074 1.00 1.00 N +ATOM 731 CZ ARG A 50 -18.232 9.809 -19.539 1.00 1.00 C +ATOM 732 NH1 ARG A 50 -18.489 9.638 -20.843 1.00 1.00 N +ATOM 733 NH2 ARG A 50 -19.221 10.144 -18.699 1.00 1.00 N +ATOM 734 H ARG A 50 -11.172 10.497 -19.220 1.00 1.00 H +ATOM 735 HA ARG A 50 -12.851 8.701 -20.760 1.00 1.00 H +ATOM 736 HB2 ARG A 50 -12.976 8.434 -18.141 1.00 1.00 H +ATOM 737 HB3 ARG A 50 -13.833 9.963 -18.169 1.00 1.00 H +ATOM 738 HG2 ARG A 50 -14.650 7.473 -19.740 1.00 1.00 H +ATOM 739 HG3 ARG A 50 -15.384 7.994 -18.236 1.00 1.00 H +ATOM 740 HD2 ARG A 50 -15.297 10.167 -20.234 1.00 1.00 H +ATOM 741 HD3 ARG A 50 -16.174 8.769 -20.823 1.00 1.00 H +ATOM 742 HE ARG A 50 -16.830 9.774 -18.095 1.00 1.00 H +ATOM 743 HH11 ARG A 50 -17.752 9.388 -21.469 1.00 1.00 H +ATOM 744 HH12 ARG A 50 -19.419 9.764 -21.190 1.00 1.00 H +ATOM 745 HH21 ARG A 50 -19.030 10.270 -17.725 1.00 1.00 H +ATOM 746 HH22 ARG A 50 -20.151 10.269 -19.046 1.00 1.00 H +ATOM 747 N TYR A 51 -13.870 10.721 -21.800 1.00 1.00 N +ATOM 748 CA TYR A 51 -14.454 11.880 -22.450 1.00 1.00 C +ATOM 749 C TYR A 51 -15.954 11.681 -22.682 1.00 1.00 C +ATOM 750 O TYR A 51 -16.521 10.671 -22.268 1.00 1.00 O +ATOM 751 CB TYR A 51 -13.752 12.002 -23.805 1.00 1.00 C +ATOM 752 CG TYR A 51 -12.818 13.208 -23.915 1.00 1.00 C +ATOM 753 CD1 TYR A 51 -13.338 14.486 -23.923 1.00 1.00 C +ATOM 754 CD2 TYR A 51 -11.454 13.017 -24.005 1.00 1.00 C +ATOM 755 CE1 TYR A 51 -12.457 15.621 -24.027 1.00 1.00 C +ATOM 756 CE2 TYR A 51 -10.573 14.153 -24.109 1.00 1.00 C +ATOM 757 CZ TYR A 51 -11.119 15.398 -24.115 1.00 1.00 C +ATOM 758 OH TYR A 51 -10.287 16.469 -24.213 1.00 1.00 O +ATOM 759 H TYR A 51 -13.855 9.888 -22.353 1.00 1.00 H +ATOM 760 HA TYR A 51 -14.306 12.742 -21.799 1.00 1.00 H +ATOM 761 HB2 TYR A 51 -13.181 11.093 -23.989 1.00 1.00 H +ATOM 762 HB3 TYR A 51 -14.507 12.068 -24.588 1.00 1.00 H +ATOM 763 HD1 TYR A 51 -14.415 14.637 -23.853 1.00 1.00 H +ATOM 764 HD2 TYR A 51 -11.043 12.007 -23.998 1.00 1.00 H +ATOM 765 HE1 TYR A 51 -12.854 16.636 -24.036 1.00 1.00 H +ATOM 766 HE2 TYR A 51 -9.494 14.015 -24.180 1.00 1.00 H +ATOM 767 HH TYR A 51 -10.063 16.813 -23.301 1.00 1.00 H +ATOM 768 N GLU A 52 -16.553 12.662 -23.342 1.00 1.00 N +ATOM 769 CA GLU A 52 -17.975 12.607 -23.633 1.00 1.00 C +ATOM 770 C GLU A 52 -18.243 11.646 -24.793 1.00 1.00 C +ATOM 771 O GLU A 52 -19.092 11.913 -25.642 1.00 1.00 O +ATOM 772 CB GLU A 52 -18.527 14.001 -23.939 1.00 1.00 C +ATOM 773 CG GLU A 52 -18.010 14.512 -25.285 1.00 1.00 C +ATOM 774 CD GLU A 52 -16.669 15.231 -25.120 1.00 1.00 C +ATOM 775 OE1 GLU A 52 -16.670 16.292 -24.462 1.00 1.00 O +ATOM 776 OE2 GLU A 52 -15.672 14.700 -25.658 1.00 1.00 O +ATOM 777 H GLU A 52 -16.086 13.481 -23.675 1.00 1.00 H +ATOM 778 HA GLU A 52 -18.443 12.230 -22.723 1.00 1.00 H +ATOM 779 HB2 GLU A 52 -19.616 13.971 -23.951 1.00 1.00 H +ATOM 780 HB3 GLU A 52 -18.235 14.693 -23.147 1.00 1.00 H +ATOM 781 HG2 GLU A 52 -17.897 13.677 -25.976 1.00 1.00 H +ATOM 782 HG3 GLU A 52 -18.740 15.193 -25.724 1.00 1.00 H +ATOM 783 N GLY A 53 -17.503 10.548 -24.791 1.00 1.00 N +ATOM 784 CA GLY A 53 -17.650 9.544 -25.833 1.00 1.00 C +ATOM 785 C GLY A 53 -17.248 8.160 -25.321 1.00 1.00 C +ATOM 786 O GLY A 53 -18.093 7.281 -25.164 1.00 1.00 O +ATOM 787 H GLY A 53 -16.815 10.336 -24.097 1.00 1.00 H +ATOM 788 HA2 GLY A 53 -18.684 9.523 -26.177 1.00 1.00 H +ATOM 789 HA3 GLY A 53 -17.033 9.813 -26.691 1.00 1.00 H +ATOM 790 N ARG A 54 -15.953 8.008 -25.076 1.00 1.00 N +ATOM 791 CA ARG A 54 -15.429 6.745 -24.585 1.00 1.00 C +ATOM 792 C ARG A 54 -14.290 6.993 -23.596 1.00 1.00 C +ATOM 793 O ARG A 54 -14.001 8.137 -23.249 1.00 1.00 O +ATOM 794 CB ARG A 54 -14.916 5.878 -25.736 1.00 1.00 C +ATOM 795 CG ARG A 54 -14.029 6.691 -26.682 1.00 1.00 C +ATOM 796 CD ARG A 54 -14.861 7.688 -27.491 1.00 1.00 C +ATOM 797 NE ARG A 54 -14.484 7.619 -28.921 1.00 1.00 N +ATOM 798 CZ ARG A 54 -14.784 6.593 -29.729 1.00 1.00 C +ATOM 799 NH1 ARG A 54 -15.469 5.544 -29.253 1.00 1.00 N +ATOM 800 NH2 ARG A 54 -14.402 6.616 -31.013 1.00 1.00 N +ATOM 801 H ARG A 54 -15.272 8.728 -25.206 1.00 1.00 H +ATOM 802 HA ARG A 54 -16.275 6.262 -24.097 1.00 1.00 H +ATOM 803 HB2 ARG A 54 -14.351 5.036 -25.337 1.00 1.00 H +ATOM 804 HB3 ARG A 54 -15.758 5.464 -26.289 1.00 1.00 H +ATOM 805 HG2 ARG A 54 -13.273 7.226 -26.108 1.00 1.00 H +ATOM 806 HG3 ARG A 54 -13.500 6.019 -27.359 1.00 1.00 H +ATOM 807 HD2 ARG A 54 -15.923 7.467 -27.376 1.00 1.00 H +ATOM 808 HD3 ARG A 54 -14.703 8.698 -27.113 1.00 1.00 H +ATOM 809 HE ARG A 54 -13.973 8.386 -29.309 1.00 1.00 H +ATOM 810 HH11 ARG A 54 -15.754 5.527 -28.295 1.00 1.00 H +ATOM 811 HH12 ARG A 54 -15.693 4.778 -29.856 1.00 1.00 H +ATOM 812 HH21 ARG A 54 -13.891 7.399 -31.369 1.00 1.00 H +ATOM 813 HH22 ARG A 54 -14.626 5.851 -31.615 1.00 1.00 H +ATOM 814 N VAL A 55 -13.672 5.901 -23.166 1.00 1.00 N +ATOM 815 CA VAL A 55 -12.571 5.986 -22.222 1.00 1.00 C +ATOM 816 C VAL A 55 -11.280 5.537 -22.910 1.00 1.00 C +ATOM 817 O VAL A 55 -11.196 4.416 -23.409 1.00 1.00 O +ATOM 818 CB VAL A 55 -12.892 5.172 -20.968 1.00 1.00 C +ATOM 819 CG1 VAL A 55 -12.376 5.875 -19.711 1.00 1.00 C +ATOM 820 CG2 VAL A 55 -14.394 4.897 -20.863 1.00 1.00 C +ATOM 821 H VAL A 55 -13.913 4.974 -23.452 1.00 1.00 H +ATOM 822 HA VAL A 55 -12.467 7.031 -21.930 1.00 1.00 H +ATOM 823 HB VAL A 55 -12.383 4.213 -21.049 1.00 1.00 H +ATOM 824 HG11 VAL A 55 -12.630 6.934 -19.756 1.00 1.00 H +ATOM 825 HG12 VAL A 55 -12.835 5.427 -18.828 1.00 1.00 H +ATOM 826 HG13 VAL A 55 -11.293 5.763 -19.653 1.00 1.00 H +ATOM 827 HG21 VAL A 55 -14.940 5.841 -20.883 1.00 1.00 H +ATOM 828 HG22 VAL A 55 -14.710 4.278 -21.703 1.00 1.00 H +ATOM 829 HG23 VAL A 55 -14.604 4.378 -19.928 1.00 1.00 H +ATOM 830 N TYR A 56 -10.307 6.437 -22.916 1.00 1.00 N +ATOM 831 CA TYR A 56 -9.024 6.148 -23.535 1.00 1.00 C +ATOM 832 C TYR A 56 -8.036 5.590 -22.510 1.00 1.00 C +ATOM 833 O TYR A 56 -8.040 6.000 -21.350 1.00 1.00 O +ATOM 834 CB TYR A 56 -8.498 7.484 -24.059 1.00 1.00 C +ATOM 835 CG TYR A 56 -9.399 8.142 -25.105 1.00 1.00 C +ATOM 836 CD1 TYR A 56 -9.689 7.478 -26.281 1.00 1.00 C +ATOM 837 CD2 TYR A 56 -9.924 9.397 -24.875 1.00 1.00 C +ATOM 838 CE1 TYR A 56 -10.538 8.097 -27.267 1.00 1.00 C +ATOM 839 CE2 TYR A 56 -10.772 10.015 -25.861 1.00 1.00 C +ATOM 840 CZ TYR A 56 -11.038 9.334 -27.008 1.00 1.00 C +ATOM 841 OH TYR A 56 -11.840 9.918 -27.939 1.00 1.00 O +ATOM 842 H TYR A 56 -10.385 7.346 -22.508 1.00 1.00 H +ATOM 843 HA TYR A 56 -9.188 5.403 -24.314 1.00 1.00 H +ATOM 844 HB2 TYR A 56 -8.374 8.170 -23.219 1.00 1.00 H +ATOM 845 HB3 TYR A 56 -7.509 7.330 -24.492 1.00 1.00 H +ATOM 846 HD1 TYR A 56 -9.275 6.486 -26.463 1.00 1.00 H +ATOM 847 HD2 TYR A 56 -9.696 9.921 -23.947 1.00 1.00 H +ATOM 848 HE1 TYR A 56 -10.775 7.584 -28.199 1.00 1.00 H +ATOM 849 HE2 TYR A 56 -11.194 11.006 -25.691 1.00 1.00 H +ATOM 850 HH TYR A 56 -12.641 9.344 -28.108 1.00 1.00 H +ATOM 851 N HIS A 57 -7.210 4.662 -22.975 1.00 1.00 N +ATOM 852 CA HIS A 57 -6.217 4.044 -22.114 1.00 1.00 C +ATOM 853 C HIS A 57 -4.815 4.342 -22.651 1.00 1.00 C +ATOM 854 O HIS A 57 -4.444 3.868 -23.724 1.00 1.00 O +ATOM 855 CB HIS A 57 -6.488 2.546 -21.962 1.00 1.00 C +ATOM 856 CG HIS A 57 -7.951 2.179 -22.007 1.00 1.00 C +ATOM 857 ND1 HIS A 57 -8.639 1.701 -20.905 1.00 1.00 N +ATOM 858 CD2 HIS A 57 -8.850 2.224 -23.033 1.00 1.00 C +ATOM 859 CE1 HIS A 57 -9.894 1.472 -21.262 1.00 1.00 C +ATOM 860 NE2 HIS A 57 -10.023 1.796 -22.581 1.00 1.00 N +ATOM 861 H HIS A 57 -7.214 4.333 -23.920 1.00 1.00 H +ATOM 862 HA HIS A 57 -6.325 4.503 -21.132 1.00 1.00 H +ATOM 863 HB2 HIS A 57 -5.964 2.010 -22.753 1.00 1.00 H +ATOM 864 HB3 HIS A 57 -6.068 2.206 -21.015 1.00 1.00 H +ATOM 865 HD1 HIS A 57 -8.255 1.553 -19.994 1.00 1.00 H +ATOM 866 HD2 HIS A 57 -8.640 2.555 -24.048 1.00 1.00 H +ATOM 867 HE1 HIS A 57 -10.686 1.091 -20.616 1.00 1.00 H +ATOM 868 N TYR A 58 -4.076 5.124 -21.879 1.00 1.00 N +ATOM 869 CA TYR A 58 -2.723 5.491 -22.263 1.00 1.00 C +ATOM 870 C TYR A 58 -1.735 5.209 -21.128 1.00 1.00 C +ATOM 871 O TYR A 58 -1.704 5.934 -20.134 1.00 1.00 O +ATOM 872 CB TYR A 58 -2.755 6.996 -22.534 1.00 1.00 C +ATOM 873 CG TYR A 58 -2.306 7.384 -23.945 1.00 1.00 C +ATOM 874 CD1 TYR A 58 -1.067 6.988 -24.408 1.00 1.00 C +ATOM 875 CD2 TYR A 58 -3.140 8.129 -24.754 1.00 1.00 C +ATOM 876 CE1 TYR A 58 -0.645 7.353 -25.735 1.00 1.00 C +ATOM 877 CE2 TYR A 58 -2.716 8.493 -26.081 1.00 1.00 C +ATOM 878 CZ TYR A 58 -1.490 8.088 -26.506 1.00 1.00 C +ATOM 879 OH TYR A 58 -1.091 8.432 -27.760 1.00 1.00 O +ATOM 880 H TYR A 58 -4.384 5.505 -21.008 1.00 1.00 H +ATOM 881 HA TYR A 58 -2.446 4.893 -23.131 1.00 1.00 H +ATOM 882 HB2 TYR A 58 -3.769 7.363 -22.373 1.00 1.00 H +ATOM 883 HB3 TYR A 58 -2.115 7.499 -21.809 1.00 1.00 H +ATOM 884 HD1 TYR A 58 -0.408 6.400 -23.768 1.00 1.00 H +ATOM 885 HD2 TYR A 58 -4.117 8.439 -24.389 1.00 1.00 H +ATOM 886 HE1 TYR A 58 0.332 7.049 -26.113 1.00 1.00 H +ATOM 887 HE2 TYR A 58 -3.366 9.081 -26.731 1.00 1.00 H +ATOM 888 HH TYR A 58 -0.203 8.021 -27.962 1.00 1.00 H +ATOM 889 N ARG A 59 -0.953 4.157 -21.314 1.00 1.00 N +ATOM 890 CA ARG A 59 0.033 3.772 -20.319 1.00 1.00 C +ATOM 891 C ARG A 59 1.061 4.888 -20.130 1.00 1.00 C +ATOM 892 O ARG A 59 1.373 5.615 -21.073 1.00 1.00 O +ATOM 893 CB ARG A 59 0.755 2.486 -20.729 1.00 1.00 C +ATOM 894 CG ARG A 59 1.444 2.652 -22.085 1.00 1.00 C +ATOM 895 CD ARG A 59 2.709 1.795 -22.165 1.00 1.00 C +ATOM 896 NE ARG A 59 2.389 0.474 -22.748 1.00 1.00 N +ATOM 897 CZ ARG A 59 1.986 -0.586 -22.034 1.00 1.00 C +ATOM 898 NH1 ARG A 59 1.853 -0.485 -20.704 1.00 1.00 N +ATOM 899 NH2 ARG A 59 1.719 -1.746 -22.647 1.00 1.00 N +ATOM 900 H ARG A 59 -0.984 3.573 -22.126 1.00 1.00 H +ATOM 901 HA ARG A 59 -0.541 3.609 -19.407 1.00 1.00 H +ATOM 902 HB2 ARG A 59 1.494 2.223 -19.971 1.00 1.00 H +ATOM 903 HB3 ARG A 59 0.042 1.663 -20.778 1.00 1.00 H +ATOM 904 HG2 ARG A 59 0.758 2.369 -22.882 1.00 1.00 H +ATOM 905 HG3 ARG A 59 1.700 3.700 -22.240 1.00 1.00 H +ATOM 906 HD2 ARG A 59 3.460 2.299 -22.774 1.00 1.00 H +ATOM 907 HD3 ARG A 59 3.137 1.669 -21.171 1.00 1.00 H +ATOM 908 HE ARG A 59 2.479 0.364 -23.738 1.00 1.00 H +ATOM 909 HH11 ARG A 59 2.053 0.382 -20.245 1.00 1.00 H +ATOM 910 HH12 ARG A 59 1.553 -1.275 -20.170 1.00 1.00 H +ATOM 911 HH21 ARG A 59 1.818 -1.822 -23.639 1.00 1.00 H +ATOM 912 HH22 ARG A 59 1.418 -2.537 -22.114 1.00 1.00 H +ATOM 913 N ILE A 60 1.559 4.989 -18.908 1.00 1.00 N +ATOM 914 CA ILE A 60 2.546 6.006 -18.583 1.00 1.00 C +ATOM 915 C ILE A 60 3.876 5.649 -19.250 1.00 1.00 C +ATOM 916 O ILE A 60 4.185 4.474 -19.440 1.00 1.00 O +ATOM 917 CB ILE A 60 2.648 6.191 -17.067 1.00 1.00 C +ATOM 918 CG1 ILE A 60 1.267 6.415 -16.450 1.00 1.00 C +ATOM 919 CG2 ILE A 60 3.623 7.314 -16.716 1.00 1.00 C +ATOM 920 CD1 ILE A 60 1.298 6.182 -14.937 1.00 1.00 C +ATOM 921 H ILE A 60 1.300 4.394 -18.147 1.00 1.00 H +ATOM 922 HA ILE A 60 2.193 6.949 -19.000 1.00 1.00 H +ATOM 923 HB ILE A 60 3.048 5.271 -16.638 1.00 1.00 H +ATOM 924 HG12 ILE A 60 0.932 7.431 -16.657 1.00 1.00 H +ATOM 925 HG13 ILE A 60 0.544 5.741 -16.910 1.00 1.00 H +ATOM 926 HG21 ILE A 60 4.598 7.101 -17.157 1.00 1.00 H +ATOM 927 HG22 ILE A 60 3.246 8.258 -17.109 1.00 1.00 H +ATOM 928 HG23 ILE A 60 3.721 7.385 -15.632 1.00 1.00 H +ATOM 929 HD11 ILE A 60 2.040 5.418 -14.703 1.00 1.00 H +ATOM 930 HD12 ILE A 60 1.562 7.111 -14.432 1.00 1.00 H +ATOM 931 HD13 ILE A 60 0.317 5.850 -14.600 1.00 1.00 H +ATOM 932 N ASN A 61 4.630 6.687 -19.587 1.00 1.00 N +ATOM 933 CA ASN A 61 5.919 6.498 -20.228 1.00 1.00 C +ATOM 934 C ASN A 61 7.029 6.923 -19.265 1.00 1.00 C +ATOM 935 O ASN A 61 6.958 7.993 -18.663 1.00 1.00 O +ATOM 936 CB ASN A 61 6.036 7.352 -21.491 1.00 1.00 C +ATOM 937 CG ASN A 61 7.469 7.855 -21.683 1.00 1.00 C +ATOM 938 OD1 ASN A 61 8.438 7.148 -21.461 1.00 1.00 O +ATOM 939 ND2 ASN A 61 7.549 9.113 -22.105 1.00 1.00 N +ATOM 940 H ASN A 61 4.371 7.640 -19.428 1.00 1.00 H +ATOM 941 HA ASN A 61 5.965 5.436 -20.473 1.00 1.00 H +ATOM 942 HB2 ASN A 61 5.734 6.767 -22.359 1.00 1.00 H +ATOM 943 HB3 ASN A 61 5.356 8.201 -21.425 1.00 1.00 H +ATOM 944 HD21 ASN A 61 6.715 9.639 -22.268 1.00 1.00 H +ATOM 945 HD22 ASN A 61 8.444 9.533 -22.261 1.00 1.00 H +ATOM 946 N THR A 62 8.031 6.062 -19.148 1.00 1.00 N +ATOM 947 CA THR A 62 9.154 6.336 -18.270 1.00 1.00 C +ATOM 948 C THR A 62 10.418 6.609 -19.088 1.00 1.00 C +ATOM 949 O THR A 62 10.661 5.953 -20.099 1.00 1.00 O +ATOM 950 CB THR A 62 9.298 5.156 -17.305 1.00 1.00 C +ATOM 951 OG1 THR A 62 8.116 5.212 -16.511 1.00 1.00 O +ATOM 952 CG2 THR A 62 10.433 5.358 -16.298 1.00 1.00 C +ATOM 953 H THR A 62 8.081 5.194 -19.642 1.00 1.00 H +ATOM 954 HA THR A 62 8.937 7.242 -17.705 1.00 1.00 H +ATOM 955 HB THR A 62 9.421 4.221 -17.850 1.00 1.00 H +ATOM 956 HG1 THR A 62 8.316 4.906 -15.579 1.00 1.00 H +ATOM 957 HG21 THR A 62 11.229 5.941 -16.760 1.00 1.00 H +ATOM 958 HG22 THR A 62 10.053 5.886 -15.425 1.00 1.00 H +ATOM 959 HG23 THR A 62 10.825 4.388 -15.995 1.00 1.00 H +ATOM 960 N ALA A 63 11.190 7.578 -18.618 1.00 1.00 N +ATOM 961 CA ALA A 63 12.422 7.945 -19.294 1.00 1.00 C +ATOM 962 C ALA A 63 13.483 6.876 -19.030 1.00 1.00 C +ATOM 963 O ALA A 63 13.207 5.871 -18.376 1.00 1.00 O +ATOM 964 CB ALA A 63 12.866 9.334 -18.828 1.00 1.00 C +ATOM 965 H ALA A 63 10.986 8.106 -17.795 1.00 1.00 H +ATOM 966 HA ALA A 63 12.216 7.984 -20.364 1.00 1.00 H +ATOM 967 HB1 ALA A 63 12.041 9.825 -18.311 1.00 1.00 H +ATOM 968 HB2 ALA A 63 13.713 9.236 -18.148 1.00 1.00 H +ATOM 969 HB3 ALA A 63 13.161 9.930 -19.692 1.00 1.00 H +ATOM 970 N SER A 64 14.676 7.127 -19.550 1.00 1.00 N +ATOM 971 CA SER A 64 15.779 6.198 -19.378 1.00 1.00 C +ATOM 972 C SER A 64 16.407 6.382 -17.995 1.00 1.00 C +ATOM 973 O SER A 64 17.623 6.528 -17.876 1.00 1.00 O +ATOM 974 CB SER A 64 16.833 6.387 -20.470 1.00 1.00 C +ATOM 975 OG SER A 64 17.105 5.174 -21.165 1.00 1.00 O +ATOM 976 H SER A 64 14.893 7.947 -20.080 1.00 1.00 H +ATOM 977 HA SER A 64 15.337 5.205 -19.468 1.00 1.00 H +ATOM 978 HB2 SER A 64 16.491 7.142 -21.177 1.00 1.00 H +ATOM 979 HB3 SER A 64 17.754 6.762 -20.024 1.00 1.00 H +ATOM 980 HG SER A 64 16.942 5.297 -22.144 1.00 1.00 H +ATOM 981 N ASP A 65 15.551 6.369 -16.984 1.00 1.00 N +ATOM 982 CA ASP A 65 16.007 6.533 -15.615 1.00 1.00 C +ATOM 983 C ASP A 65 15.062 5.784 -14.673 1.00 1.00 C +ATOM 984 O ASP A 65 15.500 4.950 -13.883 1.00 1.00 O +ATOM 985 CB ASP A 65 16.008 8.008 -15.206 1.00 1.00 C +ATOM 986 CG ASP A 65 17.395 8.628 -15.028 1.00 1.00 C +ATOM 987 OD1 ASP A 65 17.924 8.521 -13.901 1.00 1.00 O +ATOM 988 OD2 ASP A 65 17.895 9.197 -16.024 1.00 1.00 O +ATOM 989 H ASP A 65 14.564 6.250 -17.090 1.00 1.00 H +ATOM 990 HA ASP A 65 17.019 6.128 -15.599 1.00 1.00 H +ATOM 991 HB2 ASP A 65 15.466 8.579 -15.962 1.00 1.00 H +ATOM 992 HB3 ASP A 65 15.456 8.112 -14.272 1.00 1.00 H +ATOM 993 N GLY A 66 13.783 6.107 -14.791 1.00 1.00 N +ATOM 994 CA GLY A 66 12.772 5.474 -13.961 1.00 1.00 C +ATOM 995 C GLY A 66 11.620 6.439 -13.669 1.00 1.00 C +ATOM 996 O GLY A 66 10.537 6.013 -13.271 1.00 1.00 O +ATOM 997 H GLY A 66 13.434 6.786 -15.437 1.00 1.00 H +ATOM 998 HA2 GLY A 66 12.388 4.586 -14.462 1.00 1.00 H +ATOM 999 HA3 GLY A 66 13.221 5.144 -13.024 1.00 1.00 H +ATOM 1000 N LYS A 67 11.893 7.718 -13.878 1.00 1.00 N +ATOM 1001 CA LYS A 67 10.894 8.745 -13.643 1.00 1.00 C +ATOM 1002 C LYS A 67 9.799 8.640 -14.706 1.00 1.00 C +ATOM 1003 O LYS A 67 10.016 8.059 -15.769 1.00 1.00 O +ATOM 1004 CB LYS A 67 11.551 10.125 -13.572 1.00 1.00 C +ATOM 1005 CG LYS A 67 13.001 10.018 -13.096 1.00 1.00 C +ATOM 1006 CD LYS A 67 13.435 11.294 -12.371 1.00 1.00 C +ATOM 1007 CE LYS A 67 14.287 12.179 -13.282 1.00 1.00 C +ATOM 1008 NZ LYS A 67 15.591 11.536 -13.558 1.00 1.00 N +ATOM 1009 H LYS A 67 12.779 8.054 -14.202 1.00 1.00 H +ATOM 1010 HA LYS A 67 10.448 8.549 -12.667 1.00 1.00 H +ATOM 1011 HB2 LYS A 67 11.520 10.599 -14.552 1.00 1.00 H +ATOM 1012 HB3 LYS A 67 10.987 10.765 -12.891 1.00 1.00 H +ATOM 1013 HG2 LYS A 67 13.106 9.161 -12.429 1.00 1.00 H +ATOM 1014 HG3 LYS A 67 13.655 9.841 -13.949 1.00 1.00 H +ATOM 1015 HD2 LYS A 67 12.556 11.845 -12.039 1.00 1.00 H +ATOM 1016 HD3 LYS A 67 14.002 11.032 -11.477 1.00 1.00 H +ATOM 1017 HE2 LYS A 67 13.760 12.363 -14.217 1.00 1.00 H +ATOM 1018 HE3 LYS A 67 14.447 13.149 -12.810 1.00 1.00 H +ATOM 1019 HZ1 LYS A 67 15.461 10.548 -13.656 1.00 1.00 H +ATOM 1020 HZ2 LYS A 67 15.973 11.907 -14.405 1.00 1.00 H +ATOM 1021 HZ3 LYS A 67 16.219 11.717 -12.802 1.00 1.00 H +ATOM 1022 N LEU A 68 8.648 9.211 -14.385 1.00 1.00 N +ATOM 1023 CA LEU A 68 7.520 9.189 -15.301 1.00 1.00 C +ATOM 1024 C LEU A 68 7.379 10.561 -15.963 1.00 1.00 C +ATOM 1025 O LEU A 68 7.012 11.536 -15.309 1.00 1.00 O +ATOM 1026 CB LEU A 68 6.254 8.722 -14.580 1.00 1.00 C +ATOM 1027 CG LEU A 68 6.338 7.355 -13.895 1.00 1.00 C +ATOM 1028 CD1 LEU A 68 5.530 7.342 -12.596 1.00 1.00 C +ATOM 1029 CD2 LEU A 68 5.907 6.238 -14.849 1.00 1.00 C +ATOM 1030 H LEU A 68 8.480 9.682 -13.520 1.00 1.00 H +ATOM 1031 HA LEU A 68 7.741 8.452 -16.073 1.00 1.00 H +ATOM 1032 HB2 LEU A 68 5.993 9.467 -13.827 1.00 1.00 H +ATOM 1033 HB3 LEU A 68 5.437 8.695 -15.300 1.00 1.00 H +ATOM 1034 HG LEU A 68 7.378 7.169 -13.630 1.00 1.00 H +ATOM 1035 HD11 LEU A 68 5.603 8.316 -12.114 1.00 1.00 H +ATOM 1036 HD12 LEU A 68 4.485 7.124 -12.821 1.00 1.00 H +ATOM 1037 HD13 LEU A 68 5.926 6.574 -11.930 1.00 1.00 H +ATOM 1038 HD21 LEU A 68 6.026 6.575 -15.879 1.00 1.00 H +ATOM 1039 HD22 LEU A 68 6.529 5.358 -14.681 1.00 1.00 H +ATOM 1040 HD23 LEU A 68 4.863 5.987 -14.667 1.00 1.00 H +ATOM 1041 N TYR A 69 7.679 10.592 -17.253 1.00 1.00 N +ATOM 1042 CA TYR A 69 7.590 11.828 -18.012 1.00 1.00 C +ATOM 1043 C TYR A 69 6.822 11.616 -19.319 1.00 1.00 C +ATOM 1044 O TYR A 69 7.375 11.106 -20.292 1.00 1.00 O +ATOM 1045 CB TYR A 69 9.030 12.226 -18.340 1.00 1.00 C +ATOM 1046 CG TYR A 69 9.564 11.618 -19.639 1.00 1.00 C +ATOM 1047 CD1 TYR A 69 9.794 10.259 -19.721 1.00 1.00 C +ATOM 1048 CD2 TYR A 69 9.815 12.427 -20.729 1.00 1.00 C +ATOM 1049 CE1 TYR A 69 10.295 9.686 -20.943 1.00 1.00 C +ATOM 1050 CE2 TYR A 69 10.316 11.854 -21.950 1.00 1.00 C +ATOM 1051 CZ TYR A 69 10.532 10.512 -21.997 1.00 1.00 C +ATOM 1052 OH TYR A 69 11.007 9.971 -23.151 1.00 1.00 O +ATOM 1053 H TYR A 69 7.977 9.795 -17.778 1.00 1.00 H +ATOM 1054 HA TYR A 69 7.060 12.560 -17.403 1.00 1.00 H +ATOM 1055 HB2 TYR A 69 9.090 13.312 -18.408 1.00 1.00 H +ATOM 1056 HB3 TYR A 69 9.677 11.923 -17.517 1.00 1.00 H +ATOM 1057 HD1 TYR A 69 9.597 9.620 -18.860 1.00 1.00 H +ATOM 1058 HD2 TYR A 69 9.633 13.500 -20.663 1.00 1.00 H +ATOM 1059 HE1 TYR A 69 10.483 8.615 -21.022 1.00 1.00 H +ATOM 1060 HE2 TYR A 69 10.518 12.482 -22.818 1.00 1.00 H +ATOM 1061 HH TYR A 69 11.217 9.003 -23.015 1.00 1.00 H +ATOM 1062 N VAL A 70 5.560 12.018 -19.298 1.00 1.00 N +ATOM 1063 CA VAL A 70 4.710 11.878 -20.469 1.00 1.00 C +ATOM 1064 C VAL A 70 5.168 12.863 -21.547 1.00 1.00 C +ATOM 1065 O VAL A 70 4.783 12.741 -22.707 1.00 1.00 O +ATOM 1066 CB VAL A 70 3.244 12.062 -20.075 1.00 1.00 C +ATOM 1067 CG1 VAL A 70 2.313 11.595 -21.196 1.00 1.00 C +ATOM 1068 CG2 VAL A 70 2.931 11.337 -18.765 1.00 1.00 C +ATOM 1069 H VAL A 70 5.118 12.432 -18.502 1.00 1.00 H +ATOM 1070 HA VAL A 70 4.834 10.863 -20.845 1.00 1.00 H +ATOM 1071 HB VAL A 70 3.070 13.127 -19.917 1.00 1.00 H +ATOM 1072 HG11 VAL A 70 2.635 12.030 -22.142 1.00 1.00 H +ATOM 1073 HG12 VAL A 70 2.346 10.507 -21.267 1.00 1.00 H +ATOM 1074 HG13 VAL A 70 1.293 11.913 -20.979 1.00 1.00 H +ATOM 1075 HG21 VAL A 70 3.560 10.450 -18.683 1.00 1.00 H +ATOM 1076 HG22 VAL A 70 3.129 12.002 -17.925 1.00 1.00 H +ATOM 1077 HG23 VAL A 70 1.883 11.040 -18.755 1.00 1.00 H +ATOM 1078 N SER A 71 5.986 13.816 -21.123 1.00 1.00 N +ATOM 1079 CA SER A 71 6.500 14.821 -22.037 1.00 1.00 C +ATOM 1080 C SER A 71 7.965 15.124 -21.711 1.00 1.00 C +ATOM 1081 O SER A 71 8.318 15.326 -20.551 1.00 1.00 O +ATOM 1082 CB SER A 71 5.667 16.103 -21.974 1.00 1.00 C +ATOM 1083 OG SER A 71 5.305 16.570 -23.270 1.00 1.00 O +ATOM 1084 H SER A 71 6.294 13.908 -20.176 1.00 1.00 H +ATOM 1085 HA SER A 71 6.411 14.381 -23.030 1.00 1.00 H +ATOM 1086 HB2 SER A 71 4.765 15.921 -21.389 1.00 1.00 H +ATOM 1087 HB3 SER A 71 6.231 16.877 -21.454 1.00 1.00 H +ATOM 1088 HG SER A 71 5.617 17.511 -23.394 1.00 1.00 H +ATOM 1089 N SER A 72 8.777 15.145 -22.757 1.00 1.00 N +ATOM 1090 CA SER A 72 10.195 15.419 -22.598 1.00 1.00 C +ATOM 1091 C SER A 72 10.393 16.746 -21.863 1.00 1.00 C +ATOM 1092 O SER A 72 11.468 17.009 -21.327 1.00 1.00 O +ATOM 1093 CB SER A 72 10.906 15.452 -23.953 1.00 1.00 C +ATOM 1094 OG SER A 72 10.236 16.295 -24.886 1.00 1.00 O +ATOM 1095 H SER A 72 8.482 14.979 -23.699 1.00 1.00 H +ATOM 1096 HA SER A 72 10.584 14.591 -22.005 1.00 1.00 H +ATOM 1097 HB2 SER A 72 11.928 15.802 -23.817 1.00 1.00 H +ATOM 1098 HB3 SER A 72 10.966 14.441 -24.355 1.00 1.00 H +ATOM 1099 HG SER A 72 10.813 17.081 -25.113 1.00 1.00 H +ATOM 1100 N GLU A 73 9.337 17.548 -21.861 1.00 1.00 N +ATOM 1101 CA GLU A 73 9.380 18.842 -21.201 1.00 1.00 C +ATOM 1102 C GLU A 73 8.703 18.760 -19.831 1.00 1.00 C +ATOM 1103 O GLU A 73 8.760 19.708 -19.050 1.00 1.00 O +ATOM 1104 CB GLU A 73 8.733 19.922 -22.070 1.00 1.00 C +ATOM 1105 CG GLU A 73 7.796 19.302 -23.108 1.00 1.00 C +ATOM 1106 CD GLU A 73 7.069 20.387 -23.906 1.00 1.00 C +ATOM 1107 OE1 GLU A 73 7.754 21.060 -24.705 1.00 1.00 O +ATOM 1108 OE2 GLU A 73 5.844 20.518 -23.697 1.00 1.00 O +ATOM 1109 H GLU A 73 8.466 17.325 -22.299 1.00 1.00 H +ATOM 1110 HA GLU A 73 10.440 19.067 -21.077 1.00 1.00 H +ATOM 1111 HB2 GLU A 73 8.176 20.613 -21.439 1.00 1.00 H +ATOM 1112 HB3 GLU A 73 9.508 20.501 -22.572 1.00 1.00 H +ATOM 1113 HG2 GLU A 73 8.369 18.669 -23.788 1.00 1.00 H +ATOM 1114 HG3 GLU A 73 7.069 18.661 -22.611 1.00 1.00 H +ATOM 1115 N SER A 74 8.078 17.618 -19.581 1.00 1.00 N +ATOM 1116 CA SER A 74 7.392 17.401 -18.320 1.00 1.00 C +ATOM 1117 C SER A 74 7.710 16.004 -17.784 1.00 1.00 C +ATOM 1118 O SER A 74 7.234 15.006 -18.324 1.00 1.00 O +ATOM 1119 CB SER A 74 5.880 17.579 -18.477 1.00 1.00 C +ATOM 1120 OG SER A 74 5.557 18.695 -19.301 1.00 1.00 O +ATOM 1121 H SER A 74 8.037 16.852 -20.222 1.00 1.00 H +ATOM 1122 HA SER A 74 7.778 18.166 -17.645 1.00 1.00 H +ATOM 1123 HB2 SER A 74 5.453 16.674 -18.910 1.00 1.00 H +ATOM 1124 HB3 SER A 74 5.425 17.708 -17.495 1.00 1.00 H +ATOM 1125 HG SER A 74 4.564 18.796 -19.366 1.00 1.00 H +ATOM 1126 N ARG A 75 8.511 15.978 -16.729 1.00 1.00 N +ATOM 1127 CA ARG A 75 8.897 14.719 -16.114 1.00 1.00 C +ATOM 1128 C ARG A 75 8.544 14.725 -14.627 1.00 1.00 C +ATOM 1129 O ARG A 75 8.689 15.745 -13.954 1.00 1.00 O +ATOM 1130 CB ARG A 75 10.397 14.465 -16.276 1.00 1.00 C +ATOM 1131 CG ARG A 75 11.056 15.573 -17.103 1.00 1.00 C +ATOM 1132 CD ARG A 75 12.417 15.123 -17.636 1.00 1.00 C +ATOM 1133 NE ARG A 75 13.206 16.300 -18.064 1.00 1.00 N +ATOM 1134 CZ ARG A 75 14.426 16.226 -18.613 1.00 1.00 C +ATOM 1135 NH1 ARG A 75 15.004 15.033 -18.806 1.00 1.00 N +ATOM 1136 NH2 ARG A 75 15.068 17.346 -18.973 1.00 1.00 N +ATOM 1137 H ARG A 75 8.892 16.795 -16.297 1.00 1.00 H +ATOM 1138 HA ARG A 75 8.327 13.960 -16.650 1.00 1.00 H +ATOM 1139 HB2 ARG A 75 10.869 14.413 -15.294 1.00 1.00 H +ATOM 1140 HB3 ARG A 75 10.558 13.502 -16.758 1.00 1.00 H +ATOM 1141 HG2 ARG A 75 10.407 15.842 -17.936 1.00 1.00 H +ATOM 1142 HG3 ARG A 75 11.176 16.466 -16.491 1.00 1.00 H +ATOM 1143 HD2 ARG A 75 12.957 14.575 -16.862 1.00 1.00 H +ATOM 1144 HD3 ARG A 75 12.282 14.440 -18.474 1.00 1.00 H +ATOM 1145 HE ARG A 75 12.804 17.206 -17.935 1.00 1.00 H +ATOM 1146 HH11 ARG A 75 14.525 14.197 -18.538 1.00 1.00 H +ATOM 1147 HH12 ARG A 75 15.915 14.977 -19.216 1.00 1.00 H +ATOM 1148 HH21 ARG A 75 14.637 18.237 -18.829 1.00 1.00 H +ATOM 1149 HH22 ARG A 75 15.977 17.292 -19.383 1.00 1.00 H +ATOM 1150 N PHE A 76 8.090 13.573 -14.155 1.00 1.00 N +ATOM 1151 CA PHE A 76 7.715 13.432 -12.758 1.00 1.00 C +ATOM 1152 C PHE A 76 8.202 12.097 -12.191 1.00 1.00 C +ATOM 1153 O PHE A 76 8.658 11.231 -12.936 1.00 1.00 O +ATOM 1154 CB PHE A 76 6.186 13.472 -12.698 1.00 1.00 C +ATOM 1155 CG PHE A 76 5.565 14.654 -13.444 1.00 1.00 C +ATOM 1156 CD1 PHE A 76 5.584 15.895 -12.890 1.00 1.00 C +ATOM 1157 CD2 PHE A 76 4.992 14.463 -14.663 1.00 1.00 C +ATOM 1158 CE1 PHE A 76 5.007 16.992 -13.582 1.00 1.00 C +ATOM 1159 CE2 PHE A 76 4.414 15.559 -15.355 1.00 1.00 C +ATOM 1160 CZ PHE A 76 4.435 16.801 -14.801 1.00 1.00 C +ATOM 1161 H PHE A 76 7.975 12.749 -14.707 1.00 1.00 H +ATOM 1162 HA PHE A 76 8.187 14.250 -12.212 1.00 1.00 H +ATOM 1163 HB2 PHE A 76 5.793 12.544 -13.113 1.00 1.00 H +ATOM 1164 HB3 PHE A 76 5.875 13.510 -11.653 1.00 1.00 H +ATOM 1165 HD1 PHE A 76 6.044 16.048 -11.913 1.00 1.00 H +ATOM 1166 HD2 PHE A 76 4.975 13.467 -15.107 1.00 1.00 H +ATOM 1167 HE1 PHE A 76 5.022 17.987 -13.138 1.00 1.00 H +ATOM 1168 HE2 PHE A 76 3.956 15.406 -16.333 1.00 1.00 H +ATOM 1169 HZ PHE A 76 3.992 17.642 -15.333 1.00 1.00 H +ATOM 1170 N ASN A 77 8.089 11.972 -10.877 1.00 1.00 N +ATOM 1171 CA ASN A 77 8.512 10.757 -10.202 1.00 1.00 C +ATOM 1172 C ASN A 77 7.289 10.061 -9.598 1.00 1.00 C +ATOM 1173 O ASN A 77 7.323 8.861 -9.335 1.00 1.00 O +ATOM 1174 CB ASN A 77 9.487 11.069 -9.065 1.00 1.00 C +ATOM 1175 CG ASN A 77 10.628 11.965 -9.550 1.00 1.00 C +ATOM 1176 OD1 ASN A 77 11.628 11.509 -10.081 1.00 1.00 O +ATOM 1177 ND2 ASN A 77 10.423 13.263 -9.343 1.00 1.00 N +ATOM 1178 H ASN A 77 7.717 12.681 -10.277 1.00 1.00 H +ATOM 1179 HA ASN A 77 8.996 10.156 -10.971 1.00 1.00 H +ATOM 1180 HB2 ASN A 77 8.956 11.562 -8.250 1.00 1.00 H +ATOM 1181 HB3 ASN A 77 9.895 10.141 -8.665 1.00 1.00 H +ATOM 1182 HD21 ASN A 77 9.580 13.571 -8.903 1.00 1.00 H +ATOM 1183 HD22 ASN A 77 11.113 13.929 -9.626 1.00 1.00 H +ATOM 1184 N THR A 78 6.240 10.846 -9.400 1.00 1.00 N +ATOM 1185 CA THR A 78 5.010 10.321 -8.834 1.00 1.00 C +ATOM 1186 C THR A 78 3.824 10.637 -9.747 1.00 1.00 C +ATOM 1187 O THR A 78 3.696 11.757 -10.237 1.00 1.00 O +ATOM 1188 CB THR A 78 4.859 10.891 -7.421 1.00 1.00 C +ATOM 1189 OG1 THR A 78 5.309 9.839 -6.572 1.00 1.00 O +ATOM 1190 CG2 THR A 78 3.394 11.089 -7.024 1.00 1.00 C +ATOM 1191 H THR A 78 6.223 11.822 -9.617 1.00 1.00 H +ATOM 1192 HA THR A 78 5.093 9.234 -8.780 1.00 1.00 H +ATOM 1193 HB THR A 78 5.420 11.819 -7.314 1.00 1.00 H +ATOM 1194 HG1 THR A 78 4.797 9.850 -5.714 1.00 1.00 H +ATOM 1195 HG21 THR A 78 2.847 11.525 -7.861 1.00 1.00 H +ATOM 1196 HG22 THR A 78 2.955 10.125 -6.765 1.00 1.00 H +ATOM 1197 HG23 THR A 78 3.338 11.757 -6.165 1.00 1.00 H +ATOM 1198 N LEU A 79 2.988 9.629 -9.948 1.00 1.00 N +ATOM 1199 CA LEU A 79 1.818 9.785 -10.794 1.00 1.00 C +ATOM 1200 C LEU A 79 1.071 11.060 -10.393 1.00 1.00 C +ATOM 1201 O LEU A 79 0.694 11.858 -11.249 1.00 1.00 O +ATOM 1202 CB LEU A 79 0.951 8.525 -10.748 1.00 1.00 C +ATOM 1203 CG LEU A 79 0.866 7.819 -9.395 1.00 1.00 C +ATOM 1204 CD1 LEU A 79 -0.582 7.453 -9.059 1.00 1.00 C +ATOM 1205 CD2 LEU A 79 1.789 6.599 -9.353 1.00 1.00 C +ATOM 1206 H LEU A 79 3.100 8.721 -9.545 1.00 1.00 H +ATOM 1207 HA LEU A 79 2.168 9.899 -11.819 1.00 1.00 H +ATOM 1208 HB2 LEU A 79 -0.058 8.790 -11.064 1.00 1.00 H +ATOM 1209 HB3 LEU A 79 1.338 7.817 -11.483 1.00 1.00 H +ATOM 1210 HG LEU A 79 1.209 8.510 -8.626 1.00 1.00 H +ATOM 1211 HD11 LEU A 79 -1.227 7.713 -9.898 1.00 1.00 H +ATOM 1212 HD12 LEU A 79 -0.652 6.383 -8.864 1.00 1.00 H +ATOM 1213 HD13 LEU A 79 -0.900 8.005 -8.173 1.00 1.00 H +ATOM 1214 HD21 LEU A 79 1.901 6.194 -10.358 1.00 1.00 H +ATOM 1215 HD22 LEU A 79 2.764 6.896 -8.968 1.00 1.00 H +ATOM 1216 HD23 LEU A 79 1.358 5.840 -8.701 1.00 1.00 H +ATOM 1217 N ALA A 80 0.879 11.210 -9.091 1.00 1.00 N +ATOM 1218 CA ALA A 80 0.184 12.373 -8.566 1.00 1.00 C +ATOM 1219 C ALA A 80 0.721 13.634 -9.248 1.00 1.00 C +ATOM 1220 O ALA A 80 -0.008 14.310 -9.972 1.00 1.00 O +ATOM 1221 CB ALA A 80 0.343 12.420 -7.044 1.00 1.00 C +ATOM 1222 H ALA A 80 1.189 10.556 -8.401 1.00 1.00 H +ATOM 1223 HA ALA A 80 -0.874 12.263 -8.805 1.00 1.00 H +ATOM 1224 HB1 ALA A 80 0.990 11.604 -6.722 1.00 1.00 H +ATOM 1225 HB2 ALA A 80 0.788 13.372 -6.756 1.00 1.00 H +ATOM 1226 HB3 ALA A 80 -0.634 12.318 -6.574 1.00 1.00 H +ATOM 1227 N GLU A 81 1.990 13.911 -8.993 1.00 1.00 N +ATOM 1228 CA GLU A 81 2.634 15.078 -9.572 1.00 1.00 C +ATOM 1229 C GLU A 81 2.361 15.141 -11.076 1.00 1.00 C +ATOM 1230 O GLU A 81 2.112 16.216 -11.621 1.00 1.00 O +ATOM 1231 CB GLU A 81 4.136 15.075 -9.288 1.00 1.00 C +ATOM 1232 CG GLU A 81 4.496 16.121 -8.230 1.00 1.00 C +ATOM 1233 CD GLU A 81 4.036 17.515 -8.659 1.00 1.00 C +ATOM 1234 OE1 GLU A 81 4.760 18.125 -9.474 1.00 1.00 O +ATOM 1235 OE2 GLU A 81 2.969 17.939 -8.162 1.00 1.00 O +ATOM 1236 H GLU A 81 2.576 13.356 -8.401 1.00 1.00 H +ATOM 1237 HA GLU A 81 2.178 15.935 -9.077 1.00 1.00 H +ATOM 1238 HB2 GLU A 81 4.443 14.086 -8.945 1.00 1.00 H +ATOM 1239 HB3 GLU A 81 4.685 15.278 -10.208 1.00 1.00 H +ATOM 1240 HG2 GLU A 81 4.032 15.856 -7.279 1.00 1.00 H +ATOM 1241 HG3 GLU A 81 5.575 16.123 -8.069 1.00 1.00 H +ATOM 1242 N LEU A 82 2.415 13.976 -11.705 1.00 1.00 N +ATOM 1243 CA LEU A 82 2.178 13.886 -13.136 1.00 1.00 C +ATOM 1244 C LEU A 82 0.773 14.405 -13.448 1.00 1.00 C +ATOM 1245 O LEU A 82 0.579 15.139 -14.416 1.00 1.00 O +ATOM 1246 CB LEU A 82 2.432 12.461 -13.632 1.00 1.00 C +ATOM 1247 CG LEU A 82 1.972 12.156 -15.060 1.00 1.00 C +ATOM 1248 CD1 LEU A 82 2.770 10.995 -15.655 1.00 1.00 C +ATOM 1249 CD2 LEU A 82 0.464 11.901 -15.107 1.00 1.00 C +ATOM 1250 H LEU A 82 2.618 13.107 -11.254 1.00 1.00 H +ATOM 1251 HA LEU A 82 2.904 14.533 -13.629 1.00 1.00 H +ATOM 1252 HB2 LEU A 82 3.501 12.260 -13.565 1.00 1.00 H +ATOM 1253 HB3 LEU A 82 1.934 11.767 -12.955 1.00 1.00 H +ATOM 1254 HG LEU A 82 2.171 13.033 -15.677 1.00 1.00 H +ATOM 1255 HD11 LEU A 82 3.037 10.293 -14.864 1.00 1.00 H +ATOM 1256 HD12 LEU A 82 2.164 10.485 -16.403 1.00 1.00 H +ATOM 1257 HD13 LEU A 82 3.678 11.378 -16.122 1.00 1.00 H +ATOM 1258 HD21 LEU A 82 0.163 11.336 -14.226 1.00 1.00 H +ATOM 1259 HD22 LEU A 82 -0.064 12.854 -15.127 1.00 1.00 H +ATOM 1260 HD23 LEU A 82 0.222 11.334 -16.005 1.00 1.00 H +ATOM 1261 N VAL A 83 -0.172 14.003 -12.611 1.00 1.00 N +ATOM 1262 CA VAL A 83 -1.554 14.418 -12.785 1.00 1.00 C +ATOM 1263 C VAL A 83 -1.676 15.911 -12.473 1.00 1.00 C +ATOM 1264 O VAL A 83 -2.302 16.657 -13.225 1.00 1.00 O +ATOM 1265 CB VAL A 83 -2.474 13.550 -11.925 1.00 1.00 C +ATOM 1266 CG1 VAL A 83 -3.895 14.115 -11.902 1.00 1.00 C +ATOM 1267 CG2 VAL A 83 -2.468 12.098 -12.408 1.00 1.00 C +ATOM 1268 H VAL A 83 -0.006 13.406 -11.825 1.00 1.00 H +ATOM 1269 HA VAL A 83 -1.816 14.255 -13.831 1.00 1.00 H +ATOM 1270 HB VAL A 83 -2.090 13.564 -10.904 1.00 1.00 H +ATOM 1271 HG11 VAL A 83 -3.864 15.188 -12.091 1.00 1.00 H +ATOM 1272 HG12 VAL A 83 -4.494 13.626 -12.671 1.00 1.00 H +ATOM 1273 HG13 VAL A 83 -4.343 13.932 -10.924 1.00 1.00 H +ATOM 1274 HG21 VAL A 83 -2.183 12.068 -13.460 1.00 1.00 H +ATOM 1275 HG22 VAL A 83 -1.752 11.522 -11.822 1.00 1.00 H +ATOM 1276 HG23 VAL A 83 -3.463 11.671 -12.287 1.00 1.00 H +ATOM 1277 N HIS A 84 -1.067 16.303 -11.363 1.00 1.00 N +ATOM 1278 CA HIS A 84 -1.101 17.694 -10.944 1.00 1.00 C +ATOM 1279 C HIS A 84 -0.846 18.600 -12.149 1.00 1.00 C +ATOM 1280 O HIS A 84 -1.603 19.537 -12.397 1.00 1.00 O +ATOM 1281 CB HIS A 84 -0.115 17.938 -9.798 1.00 1.00 C +ATOM 1282 CG HIS A 84 -0.772 18.332 -8.497 1.00 1.00 C +ATOM 1283 ND1 HIS A 84 -2.076 17.991 -8.182 1.00 1.00 N +ATOM 1284 CD2 HIS A 84 -0.292 19.040 -7.434 1.00 1.00 C +ATOM 1285 CE1 HIS A 84 -2.357 18.477 -6.981 1.00 1.00 C +ATOM 1286 NE2 HIS A 84 -1.250 19.127 -6.521 1.00 1.00 N +ATOM 1287 H HIS A 84 -0.560 15.690 -10.758 1.00 1.00 H +ATOM 1288 HA HIS A 84 -2.105 17.882 -10.563 1.00 1.00 H +ATOM 1289 HB2 HIS A 84 0.472 17.035 -9.639 1.00 1.00 H +ATOM 1290 HB3 HIS A 84 0.581 18.723 -10.094 1.00 1.00 H +ATOM 1291 HD1 HIS A 84 -2.699 17.466 -8.761 1.00 1.00 H +ATOM 1292 HD2 HIS A 84 0.710 19.462 -7.350 1.00 1.00 H +ATOM 1293 HE1 HIS A 84 -3.306 18.374 -6.456 1.00 1.00 H +ATOM 1294 N HIS A 85 0.223 18.290 -12.868 1.00 1.00 N +ATOM 1295 CA HIS A 85 0.587 19.065 -14.041 1.00 1.00 C +ATOM 1296 C HIS A 85 -0.408 18.786 -15.169 1.00 1.00 C +ATOM 1297 O HIS A 85 -0.842 19.707 -15.859 1.00 1.00 O +ATOM 1298 CB HIS A 85 2.036 18.788 -14.447 1.00 1.00 C +ATOM 1299 CG HIS A 85 2.416 19.357 -15.793 1.00 1.00 C +ATOM 1300 ND1 HIS A 85 2.456 20.718 -16.048 1.00 1.00 N +ATOM 1301 CD2 HIS A 85 2.773 18.739 -16.955 1.00 1.00 C +ATOM 1302 CE1 HIS A 85 2.821 20.897 -17.308 1.00 1.00 C +ATOM 1303 NE2 HIS A 85 3.016 19.669 -17.869 1.00 1.00 N +ATOM 1304 H HIS A 85 0.834 17.526 -12.659 1.00 1.00 H +ATOM 1305 HA HIS A 85 0.517 20.115 -13.756 1.00 1.00 H +ATOM 1306 HB2 HIS A 85 2.701 19.202 -13.688 1.00 1.00 H +ATOM 1307 HB3 HIS A 85 2.199 17.711 -14.461 1.00 1.00 H +ATOM 1308 HD1 HIS A 85 2.246 21.442 -15.390 1.00 1.00 H +ATOM 1309 HD2 HIS A 85 2.845 17.662 -17.106 1.00 1.00 H +ATOM 1310 HE1 HIS A 85 2.944 21.857 -17.810 1.00 1.00 H +ATOM 1311 N HIS A 86 -0.741 17.514 -15.320 1.00 1.00 N +ATOM 1312 CA HIS A 86 -1.677 17.103 -16.352 1.00 1.00 C +ATOM 1313 C HIS A 86 -3.105 17.430 -15.911 1.00 1.00 C +ATOM 1314 O HIS A 86 -4.069 16.950 -16.506 1.00 1.00 O +ATOM 1315 CB HIS A 86 -1.489 15.623 -16.698 1.00 1.00 C +ATOM 1316 CG HIS A 86 -0.168 15.312 -17.361 1.00 1.00 C +ATOM 1317 ND1 HIS A 86 0.604 16.277 -17.984 1.00 1.00 N +ATOM 1318 CD2 HIS A 86 0.507 14.133 -17.491 1.00 1.00 C +ATOM 1319 CE1 HIS A 86 1.693 15.694 -18.463 1.00 1.00 C +ATOM 1320 NE2 HIS A 86 1.631 14.366 -18.158 1.00 1.00 N +ATOM 1321 H HIS A 86 -0.384 16.770 -14.753 1.00 1.00 H +ATOM 1322 HA HIS A 86 -1.439 17.685 -17.241 1.00 1.00 H +ATOM 1323 HB2 HIS A 86 -1.575 15.035 -15.786 1.00 1.00 H +ATOM 1324 HB3 HIS A 86 -2.298 15.311 -17.358 1.00 1.00 H +ATOM 1325 HD1 HIS A 86 0.380 17.249 -18.059 1.00 1.00 H +ATOM 1326 HD2 HIS A 86 0.180 13.166 -17.111 1.00 1.00 H +ATOM 1327 HE1 HIS A 86 2.498 16.189 -19.008 1.00 1.00 H +ATOM 1328 N SER A 87 -3.195 18.247 -14.870 1.00 1.00 N +ATOM 1329 CA SER A 87 -4.489 18.644 -14.343 1.00 1.00 C +ATOM 1330 C SER A 87 -4.922 19.973 -14.965 1.00 1.00 C +ATOM 1331 O SER A 87 -6.114 20.268 -15.043 1.00 1.00 O +ATOM 1332 CB SER A 87 -4.449 18.761 -12.817 1.00 1.00 C +ATOM 1333 OG SER A 87 -5.703 18.435 -12.225 1.00 1.00 O +ATOM 1334 H SER A 87 -2.406 18.633 -14.392 1.00 1.00 H +ATOM 1335 HA SER A 87 -5.175 17.848 -14.627 1.00 1.00 H +ATOM 1336 HB2 SER A 87 -3.679 18.099 -12.423 1.00 1.00 H +ATOM 1337 HB3 SER A 87 -4.170 19.777 -12.538 1.00 1.00 H +ATOM 1338 HG SER A 87 -6.370 19.156 -12.415 1.00 1.00 H +ATOM 1339 N THR A 88 -3.930 20.741 -15.391 1.00 1.00 N +ATOM 1340 CA THR A 88 -4.194 22.033 -16.004 1.00 1.00 C +ATOM 1341 C THR A 88 -3.499 22.129 -17.364 1.00 1.00 C +ATOM 1342 O THR A 88 -4.056 22.680 -18.312 1.00 1.00 O +ATOM 1343 CB THR A 88 -3.758 23.120 -15.021 1.00 1.00 C +ATOM 1344 OG1 THR A 88 -2.334 23.097 -15.085 1.00 1.00 O +ATOM 1345 CG2 THR A 88 -4.071 22.756 -13.568 1.00 1.00 C +ATOM 1346 H THR A 88 -2.963 20.496 -15.323 1.00 1.00 H +ATOM 1347 HA THR A 88 -5.266 22.114 -16.186 1.00 1.00 H +ATOM 1348 HB THR A 88 -4.199 24.083 -15.285 1.00 1.00 H +ATOM 1349 HG1 THR A 88 -2.005 22.155 -15.032 1.00 1.00 H +ATOM 1350 HG21 THR A 88 -4.881 22.028 -13.543 1.00 1.00 H +ATOM 1351 HG22 THR A 88 -3.184 22.328 -13.101 1.00 1.00 H +ATOM 1352 HG23 THR A 88 -4.370 23.653 -13.025 1.00 1.00 H +ATOM 1353 N VAL A 89 -2.293 21.585 -17.417 1.00 1.00 N +ATOM 1354 CA VAL A 89 -1.516 21.602 -18.645 1.00 1.00 C +ATOM 1355 C VAL A 89 -1.059 20.179 -18.974 1.00 1.00 C +ATOM 1356 O VAL A 89 0.054 19.785 -18.627 1.00 1.00 O +ATOM 1357 CB VAL A 89 -0.353 22.588 -18.514 1.00 1.00 C +ATOM 1358 CG1 VAL A 89 0.737 22.289 -19.545 1.00 1.00 C +ATOM 1359 CG2 VAL A 89 -0.844 24.032 -18.636 1.00 1.00 C +ATOM 1360 H VAL A 89 -1.846 21.138 -16.641 1.00 1.00 H +ATOM 1361 HA VAL A 89 -2.170 21.955 -19.442 1.00 1.00 H +ATOM 1362 HB VAL A 89 0.082 22.465 -17.522 1.00 1.00 H +ATOM 1363 HG11 VAL A 89 0.291 21.812 -20.418 1.00 1.00 H +ATOM 1364 HG12 VAL A 89 1.217 23.222 -19.846 1.00 1.00 H +ATOM 1365 HG13 VAL A 89 1.480 21.623 -19.106 1.00 1.00 H +ATOM 1366 HG21 VAL A 89 -1.902 24.080 -18.381 1.00 1.00 H +ATOM 1367 HG22 VAL A 89 -0.277 24.667 -17.954 1.00 1.00 H +ATOM 1368 HG23 VAL A 89 -0.700 24.380 -19.659 1.00 1.00 H +ATOM 1369 N ALA A 90 -1.940 19.449 -19.642 1.00 1.00 N +ATOM 1370 CA ALA A 90 -1.642 18.079 -20.022 1.00 1.00 C +ATOM 1371 C ALA A 90 -0.680 18.083 -21.212 1.00 1.00 C +ATOM 1372 O ALA A 90 -1.093 17.863 -22.349 1.00 1.00 O +ATOM 1373 CB ALA A 90 -2.945 17.338 -20.329 1.00 1.00 C +ATOM 1374 H ALA A 90 -2.842 19.778 -19.920 1.00 1.00 H +ATOM 1375 HA ALA A 90 -1.155 17.597 -19.174 1.00 1.00 H +ATOM 1376 HB1 ALA A 90 -3.601 17.385 -19.460 1.00 1.00 H +ATOM 1377 HB2 ALA A 90 -3.436 17.806 -21.181 1.00 1.00 H +ATOM 1378 HB3 ALA A 90 -2.724 16.296 -20.561 1.00 1.00 H +ATOM 1379 N ASP A 91 0.586 18.336 -20.909 1.00 1.00 N +ATOM 1380 CA ASP A 91 1.610 18.373 -21.939 1.00 1.00 C +ATOM 1381 C ASP A 91 1.983 16.942 -22.330 1.00 1.00 C +ATOM 1382 O ASP A 91 2.894 16.730 -23.130 1.00 1.00 O +ATOM 1383 CB ASP A 91 2.874 19.071 -21.436 1.00 1.00 C +ATOM 1384 CG ASP A 91 3.060 20.506 -21.930 1.00 1.00 C +ATOM 1385 OD1 ASP A 91 2.254 20.919 -22.791 1.00 1.00 O +ATOM 1386 OD2 ASP A 91 4.004 21.159 -21.435 1.00 1.00 O +ATOM 1387 H ASP A 91 0.914 18.515 -19.982 1.00 1.00 H +ATOM 1388 HA ASP A 91 1.165 18.928 -22.765 1.00 1.00 H +ATOM 1389 HB2 ASP A 91 2.857 19.077 -20.345 1.00 1.00 H +ATOM 1390 HB3 ASP A 91 3.740 18.483 -21.738 1.00 1.00 H +ATOM 1391 N GLY A 92 1.262 15.995 -21.748 1.00 1.00 N +ATOM 1392 CA GLY A 92 1.506 14.589 -22.026 1.00 1.00 C +ATOM 1393 C GLY A 92 0.205 13.866 -22.382 1.00 1.00 C +ATOM 1394 O GLY A 92 0.011 13.456 -23.523 1.00 1.00 O +ATOM 1395 H GLY A 92 0.521 16.175 -21.099 1.00 1.00 H +ATOM 1396 HA2 GLY A 92 2.214 14.496 -22.849 1.00 1.00 H +ATOM 1397 HA3 GLY A 92 1.962 14.118 -21.157 1.00 1.00 H +ATOM 1398 N LEU A 93 -0.652 13.733 -21.380 1.00 1.00 N +ATOM 1399 CA LEU A 93 -1.929 13.066 -21.572 1.00 1.00 C +ATOM 1400 C LEU A 93 -2.826 13.937 -22.454 1.00 1.00 C +ATOM 1401 O LEU A 93 -2.738 15.162 -22.418 1.00 1.00 O +ATOM 1402 CB LEU A 93 -2.555 12.708 -20.223 1.00 1.00 C +ATOM 1403 CG LEU A 93 -1.638 12.835 -19.004 1.00 1.00 C +ATOM 1404 CD1 LEU A 93 -2.355 12.383 -17.730 1.00 1.00 C +ATOM 1405 CD2 LEU A 93 -0.327 12.078 -19.223 1.00 1.00 C +ATOM 1406 H LEU A 93 -0.486 14.070 -20.453 1.00 1.00 H +ATOM 1407 HA LEU A 93 -1.733 12.130 -22.094 1.00 1.00 H +ATOM 1408 HB2 LEU A 93 -3.423 13.347 -20.067 1.00 1.00 H +ATOM 1409 HB3 LEU A 93 -2.920 11.682 -20.274 1.00 1.00 H +ATOM 1410 HG LEU A 93 -1.385 13.887 -18.874 1.00 1.00 H +ATOM 1411 HD11 LEU A 93 -3.346 12.004 -17.985 1.00 1.00 H +ATOM 1412 HD12 LEU A 93 -1.778 11.594 -17.248 1.00 1.00 H +ATOM 1413 HD13 LEU A 93 -2.454 13.228 -17.049 1.00 1.00 H +ATOM 1414 HD21 LEU A 93 -0.425 11.424 -20.089 1.00 1.00 H +ATOM 1415 HD22 LEU A 93 0.479 12.790 -19.394 1.00 1.00 H +ATOM 1416 HD23 LEU A 93 -0.102 11.479 -18.340 1.00 1.00 H +ATOM 1417 N ILE A 94 -3.669 13.268 -23.228 1.00 1.00 N +ATOM 1418 CA ILE A 94 -4.582 13.964 -24.119 1.00 1.00 C +ATOM 1419 C ILE A 94 -5.270 15.096 -23.352 1.00 1.00 C +ATOM 1420 O ILE A 94 -4.847 16.249 -23.427 1.00 1.00 O +ATOM 1421 CB ILE A 94 -5.556 12.978 -24.766 1.00 1.00 C +ATOM 1422 CG1 ILE A 94 -6.849 13.681 -25.184 1.00 1.00 C +ATOM 1423 CG2 ILE A 94 -5.822 11.786 -23.845 1.00 1.00 C +ATOM 1424 CD1 ILE A 94 -7.518 12.951 -26.350 1.00 1.00 C +ATOM 1425 H ILE A 94 -3.735 12.271 -23.252 1.00 1.00 H +ATOM 1426 HA ILE A 94 -3.986 14.402 -24.919 1.00 1.00 H +ATOM 1427 HB ILE A 94 -5.094 12.588 -25.672 1.00 1.00 H +ATOM 1428 HG12 ILE A 94 -7.535 13.722 -24.337 1.00 1.00 H +ATOM 1429 HG13 ILE A 94 -6.634 14.710 -25.470 1.00 1.00 H +ATOM 1430 HG21 ILE A 94 -5.766 12.110 -22.805 1.00 1.00 H +ATOM 1431 HG22 ILE A 94 -6.816 11.385 -24.047 1.00 1.00 H +ATOM 1432 HG23 ILE A 94 -5.075 11.013 -24.025 1.00 1.00 H +ATOM 1433 HD11 ILE A 94 -6.766 12.700 -27.100 1.00 1.00 H +ATOM 1434 HD12 ILE A 94 -7.987 12.037 -25.987 1.00 1.00 H +ATOM 1435 HD13 ILE A 94 -8.275 13.595 -26.797 1.00 1.00 H +ATOM 1436 N THR A 95 -6.320 14.728 -22.634 1.00 1.00 N +ATOM 1437 CA THR A 95 -7.072 15.697 -21.854 1.00 1.00 C +ATOM 1438 C THR A 95 -6.345 16.007 -20.544 1.00 1.00 C +ATOM 1439 O THR A 95 -5.178 15.651 -20.378 1.00 1.00 O +ATOM 1440 CB THR A 95 -8.483 15.147 -21.650 1.00 1.00 C +ATOM 1441 OG1 THR A 95 -9.050 16.003 -20.661 1.00 1.00 O +ATOM 1442 CG2 THR A 95 -8.484 13.766 -20.990 1.00 1.00 C +ATOM 1443 H THR A 95 -6.658 13.788 -22.577 1.00 1.00 H +ATOM 1444 HA THR A 95 -7.121 16.628 -22.420 1.00 1.00 H +ATOM 1445 HB THR A 95 -9.036 15.131 -22.590 1.00 1.00 H +ATOM 1446 HG1 THR A 95 -10.004 15.752 -20.497 1.00 1.00 H +ATOM 1447 HG21 THR A 95 -7.522 13.592 -20.511 1.00 1.00 H +ATOM 1448 HG22 THR A 95 -9.277 13.720 -20.243 1.00 1.00 H +ATOM 1449 HG23 THR A 95 -8.656 13.003 -21.749 1.00 1.00 H +ATOM 1450 N THR A 96 -7.062 16.668 -19.648 1.00 1.00 N +ATOM 1451 CA THR A 96 -6.501 17.030 -18.359 1.00 1.00 C +ATOM 1452 C THR A 96 -7.318 16.406 -17.225 1.00 1.00 C +ATOM 1453 O THR A 96 -8.500 16.708 -17.068 1.00 1.00 O +ATOM 1454 CB THR A 96 -6.429 18.558 -18.285 1.00 1.00 C +ATOM 1455 OG1 THR A 96 -7.778 18.957 -18.061 1.00 1.00 O +ATOM 1456 CG2 THR A 96 -6.070 19.191 -19.630 1.00 1.00 C +ATOM 1457 H THR A 96 -8.009 16.954 -19.792 1.00 1.00 H +ATOM 1458 HA THR A 96 -5.495 16.615 -18.292 1.00 1.00 H +ATOM 1459 HB THR A 96 -5.736 18.877 -17.507 1.00 1.00 H +ATOM 1460 HG1 THR A 96 -8.389 18.462 -18.678 1.00 1.00 H +ATOM 1461 HG21 THR A 96 -6.483 18.587 -20.439 1.00 1.00 H +ATOM 1462 HG22 THR A 96 -6.486 20.197 -19.680 1.00 1.00 H +ATOM 1463 HG23 THR A 96 -4.986 19.240 -19.731 1.00 1.00 H +ATOM 1464 N LEU A 97 -6.657 15.545 -16.466 1.00 1.00 N +ATOM 1465 CA LEU A 97 -7.307 14.876 -15.352 1.00 1.00 C +ATOM 1466 C LEU A 97 -8.248 15.858 -14.651 1.00 1.00 C +ATOM 1467 O LEU A 97 -7.811 16.895 -14.158 1.00 1.00 O +ATOM 1468 CB LEU A 97 -6.266 14.250 -14.421 1.00 1.00 C +ATOM 1469 CG LEU A 97 -5.170 13.425 -15.099 1.00 1.00 C +ATOM 1470 CD1 LEU A 97 -3.855 14.204 -15.158 1.00 1.00 C +ATOM 1471 CD2 LEU A 97 -5.002 12.068 -14.413 1.00 1.00 C +ATOM 1472 H LEU A 97 -5.694 15.305 -16.601 1.00 1.00 H +ATOM 1473 HA LEU A 97 -7.902 14.061 -15.764 1.00 1.00 H +ATOM 1474 HB2 LEU A 97 -5.791 15.048 -13.850 1.00 1.00 H +ATOM 1475 HB3 LEU A 97 -6.785 13.611 -13.707 1.00 1.00 H +ATOM 1476 HG LEU A 97 -5.475 13.230 -16.127 1.00 1.00 H +ATOM 1477 HD11 LEU A 97 -3.781 14.858 -14.289 1.00 1.00 H +ATOM 1478 HD12 LEU A 97 -3.018 13.506 -15.159 1.00 1.00 H +ATOM 1479 HD13 LEU A 97 -3.829 14.805 -16.067 1.00 1.00 H +ATOM 1480 HD21 LEU A 97 -5.473 12.096 -13.430 1.00 1.00 H +ATOM 1481 HD22 LEU A 97 -5.473 11.293 -15.019 1.00 1.00 H +ATOM 1482 HD23 LEU A 97 -3.941 11.846 -14.301 1.00 1.00 H +ATOM 1483 N HIS A 98 -9.521 15.495 -14.630 1.00 1.00 N +ATOM 1484 CA HIS A 98 -10.527 16.331 -13.997 1.00 1.00 C +ATOM 1485 C HIS A 98 -11.542 15.450 -13.266 1.00 1.00 C +ATOM 1486 O HIS A 98 -12.721 15.431 -13.617 1.00 1.00 O +ATOM 1487 CB HIS A 98 -11.180 17.263 -15.021 1.00 1.00 C +ATOM 1488 CG HIS A 98 -12.036 18.345 -14.407 1.00 1.00 C +ATOM 1489 ND1 HIS A 98 -11.695 19.686 -14.451 1.00 1.00 N +ATOM 1490 CD2 HIS A 98 -13.221 18.272 -13.735 1.00 1.00 C +ATOM 1491 CE1 HIS A 98 -12.640 20.379 -13.831 1.00 1.00 C +ATOM 1492 NE2 HIS A 98 -13.583 19.500 -13.387 1.00 1.00 N +ATOM 1493 H HIS A 98 -9.869 14.649 -15.034 1.00 1.00 H +ATOM 1494 HA HIS A 98 -10.006 16.951 -13.269 1.00 1.00 H +ATOM 1495 HB2 HIS A 98 -10.401 17.729 -15.623 1.00 1.00 H +ATOM 1496 HB3 HIS A 98 -11.795 16.669 -15.698 1.00 1.00 H +ATOM 1497 HD1 HIS A 98 -10.876 20.067 -14.880 1.00 1.00 H +ATOM 1498 HD2 HIS A 98 -13.775 17.358 -13.520 1.00 1.00 H +ATOM 1499 HE1 HIS A 98 -12.658 21.460 -13.699 1.00 1.00 H +ATOM 1500 N TYR A 99 -11.046 14.739 -12.263 1.00 1.00 N +ATOM 1501 CA TYR A 99 -11.895 13.858 -11.479 1.00 1.00 C +ATOM 1502 C TYR A 99 -11.346 13.687 -10.062 1.00 1.00 C +ATOM 1503 O TYR A 99 -11.247 12.567 -9.562 1.00 1.00 O +ATOM 1504 CB TYR A 99 -11.867 12.504 -12.191 1.00 1.00 C +ATOM 1505 CG TYR A 99 -10.569 11.721 -11.990 1.00 1.00 C +ATOM 1506 CD1 TYR A 99 -9.373 12.238 -12.447 1.00 1.00 C +ATOM 1507 CD2 TYR A 99 -10.592 10.498 -11.351 1.00 1.00 C +ATOM 1508 CE1 TYR A 99 -8.150 11.501 -12.256 1.00 1.00 C +ATOM 1509 CE2 TYR A 99 -9.370 9.762 -11.159 1.00 1.00 C +ATOM 1510 CZ TYR A 99 -8.209 10.299 -11.622 1.00 1.00 C +ATOM 1511 OH TYR A 99 -7.055 9.603 -11.443 1.00 1.00 O +ATOM 1512 H TYR A 99 -10.087 14.760 -11.985 1.00 1.00 H +ATOM 1513 HA TYR A 99 -12.888 14.307 -11.426 1.00 1.00 H +ATOM 1514 HB2 TYR A 99 -12.702 11.901 -11.836 1.00 1.00 H +ATOM 1515 HB3 TYR A 99 -12.021 12.663 -13.259 1.00 1.00 H +ATOM 1516 HD1 TYR A 99 -9.355 13.203 -12.952 1.00 1.00 H +ATOM 1517 HD2 TYR A 99 -11.537 10.091 -10.989 1.00 1.00 H +ATOM 1518 HE1 TYR A 99 -7.200 11.898 -12.613 1.00 1.00 H +ATOM 1519 HE2 TYR A 99 -9.374 8.795 -10.656 1.00 1.00 H +ATOM 1520 HH TYR A 99 -6.269 10.180 -11.665 1.00 1.00 H +ATOM 1521 N PRO A 100 -10.995 14.843 -9.438 1.00 1.00 N +ATOM 1522 CA PRO A 100 -10.459 14.832 -8.087 1.00 1.00 C +ATOM 1523 C PRO A 100 -11.563 14.573 -7.062 1.00 1.00 C +ATOM 1524 O PRO A 100 -11.543 15.136 -5.967 1.00 1.00 O +ATOM 1525 CB PRO A 100 -9.794 16.189 -7.917 1.00 1.00 C +ATOM 1526 CG PRO A 100 -10.383 17.080 -8.999 1.00 1.00 C +ATOM 1527 CD PRO A 100 -11.099 16.187 -10.000 1.00 1.00 C +ATOM 1528 HA PRO A 100 -9.804 14.083 -7.980 1.00 1.00 H +ATOM 1529 HB2 PRO A 100 -9.991 16.597 -6.925 1.00 1.00 H +ATOM 1530 HB3 PRO A 100 -8.713 16.110 -8.020 1.00 1.00 H +ATOM 1531 HG2 PRO A 100 -11.075 17.800 -8.566 1.00 1.00 H +ATOM 1532 HG3 PRO A 100 -9.595 17.651 -9.492 1.00 1.00 H +ATOM 1533 HD2 PRO A 100 -12.139 16.486 -10.121 1.00 1.00 H +ATOM 1534 HD3 PRO A 100 -10.634 16.242 -10.983 1.00 1.00 H +ATOM 1535 N ALA A 101 -12.500 13.722 -7.450 1.00 1.00 N +ATOM 1536 CA ALA A 101 -13.612 13.382 -6.577 1.00 1.00 C +ATOM 1537 C ALA A 101 -13.117 12.451 -5.469 1.00 1.00 C +ATOM 1538 O ALA A 101 -12.534 11.403 -5.746 1.00 1.00 O +ATOM 1539 CB ALA A 101 -14.738 12.757 -7.404 1.00 1.00 C +ATOM 1540 H ALA A 101 -12.510 13.268 -8.341 1.00 1.00 H +ATOM 1541 HA ALA A 101 -13.977 14.305 -6.129 1.00 1.00 H +ATOM 1542 HB1 ALA A 101 -14.310 12.203 -8.240 1.00 1.00 H +ATOM 1543 HB2 ALA A 101 -15.315 12.079 -6.776 1.00 1.00 H +ATOM 1544 HB3 ALA A 101 -15.390 13.544 -7.784 1.00 1.00 H +ATOM 1545 N PRO A 102 -13.374 12.877 -4.202 1.00 1.00 N +ATOM 1546 CA PRO A 102 -12.961 12.094 -3.051 1.00 1.00 C +ATOM 1547 C PRO A 102 -13.869 10.876 -2.863 1.00 1.00 C +ATOM 1548 O PRO A 102 -14.931 10.978 -2.250 1.00 1.00 O +ATOM 1549 CB PRO A 102 -13.013 13.060 -1.879 1.00 1.00 C +ATOM 1550 CG PRO A 102 -13.894 14.215 -2.329 1.00 1.00 C +ATOM 1551 CD PRO A 102 -14.062 14.112 -3.837 1.00 1.00 C +ATOM 1552 HA PRO A 102 -12.041 11.730 -3.190 1.00 1.00 H +ATOM 1553 HB2 PRO A 102 -13.425 12.577 -0.993 1.00 1.00 H +ATOM 1554 HB3 PRO A 102 -12.016 13.410 -1.616 1.00 1.00 H +ATOM 1555 HG2 PRO A 102 -14.862 14.173 -1.833 1.00 1.00 H +ATOM 1556 HG3 PRO A 102 -13.439 15.168 -2.060 1.00 1.00 H +ATOM 1557 HD2 PRO A 102 -15.116 14.075 -4.115 1.00 1.00 H +ATOM 1558 HD3 PRO A 102 -13.627 14.973 -4.344 1.00 1.00 H +ATOM 1559 N LYS A 103 -13.417 9.753 -3.400 1.00 1.00 N +ATOM 1560 CA LYS A 103 -14.174 8.517 -3.298 1.00 1.00 C +ATOM 1561 C LYS A 103 -14.014 7.940 -1.890 1.00 1.00 C +ATOM 1562 O LYS A 103 -12.950 8.053 -1.286 1.00 1.00 O +ATOM 1563 CB LYS A 103 -13.767 7.546 -4.410 1.00 1.00 C +ATOM 1564 CG LYS A 103 -12.422 6.887 -4.097 1.00 1.00 C +ATOM 1565 CD LYS A 103 -11.280 7.602 -4.822 1.00 1.00 C +ATOM 1566 CE LYS A 103 -10.596 8.615 -3.902 1.00 1.00 C +ATOM 1567 NZ LYS A 103 -9.173 8.260 -3.709 1.00 1.00 N +ATOM 1568 H LYS A 103 -12.551 9.679 -3.896 1.00 1.00 H +ATOM 1569 HA LYS A 103 -15.225 8.763 -3.454 1.00 1.00 H +ATOM 1570 HB2 LYS A 103 -14.534 6.780 -4.527 1.00 1.00 H +ATOM 1571 HB3 LYS A 103 -13.703 8.080 -5.357 1.00 1.00 H +ATOM 1572 HG2 LYS A 103 -12.245 6.908 -3.022 1.00 1.00 H +ATOM 1573 HG3 LYS A 103 -12.450 5.840 -4.395 1.00 1.00 H +ATOM 1574 HD2 LYS A 103 -10.551 6.869 -5.168 1.00 1.00 H +ATOM 1575 HD3 LYS A 103 -11.667 8.109 -5.705 1.00 1.00 H +ATOM 1576 HE2 LYS A 103 -10.674 9.614 -4.331 1.00 1.00 H +ATOM 1577 HE3 LYS A 103 -11.104 8.642 -2.938 1.00 1.00 H +ATOM 1578 HZ1 LYS A 103 -9.046 7.283 -3.879 1.00 1.00 H +ATOM 1579 HZ2 LYS A 103 -8.608 8.785 -4.347 1.00 1.00 H +ATOM 1580 HZ3 LYS A 103 -8.900 8.473 -2.770 1.00 1.00 H +ATOM 1581 N ARG A 104 -15.091 7.334 -1.408 1.00 1.00 N +ATOM 1582 CA ARG A 104 -15.084 6.740 -0.082 1.00 1.00 C +ATOM 1583 C ARG A 104 -14.709 5.258 -0.167 1.00 1.00 C +ATOM 1584 O ARG A 104 -15.551 4.419 -0.486 1.00 1.00 O +ATOM 1585 CB ARG A 104 -16.452 6.876 0.589 1.00 1.00 C +ATOM 1586 CG ARG A 104 -17.516 7.314 -0.419 1.00 1.00 C +ATOM 1587 CD ARG A 104 -18.881 7.468 0.256 1.00 1.00 C +ATOM 1588 NE ARG A 104 -18.949 8.763 0.971 1.00 1.00 N +ATOM 1589 CZ ARG A 104 -18.551 8.942 2.238 1.00 1.00 C +ATOM 1590 NH1 ARG A 104 -18.053 7.913 2.936 1.00 1.00 N +ATOM 1591 NH2 ARG A 104 -18.649 10.151 2.806 1.00 1.00 N +ATOM 1592 H ARG A 104 -15.953 7.246 -1.907 1.00 1.00 H +ATOM 1593 HA ARG A 104 -14.333 7.304 0.472 1.00 1.00 H +ATOM 1594 HB2 ARG A 104 -16.739 5.922 1.034 1.00 1.00 H +ATOM 1595 HB3 ARG A 104 -16.393 7.601 1.400 1.00 1.00 H +ATOM 1596 HG2 ARG A 104 -17.223 8.261 -0.874 1.00 1.00 H +ATOM 1597 HG3 ARG A 104 -17.585 6.583 -1.223 1.00 1.00 H +ATOM 1598 HD2 ARG A 104 -19.673 7.414 -0.490 1.00 1.00 H +ATOM 1599 HD3 ARG A 104 -19.045 6.648 0.954 1.00 1.00 H +ATOM 1600 HE ARG A 104 -19.315 9.552 0.479 1.00 1.00 H +ATOM 1601 HH11 ARG A 104 -17.980 7.010 2.513 1.00 1.00 H +ATOM 1602 HH12 ARG A 104 -17.756 8.046 3.882 1.00 1.00 H +ATOM 1603 HH21 ARG A 104 -19.020 10.920 2.285 1.00 1.00 H +ATOM 1604 HH22 ARG A 104 -18.352 10.286 3.751 1.00 1.00 H +ATOM 1605 N GLY A 105 -13.446 4.983 0.124 1.00 1.00 N +ATOM 1606 CA GLY A 105 -12.951 3.617 0.086 1.00 1.00 C +ATOM 1607 C GLY A 105 -14.020 2.632 0.562 1.00 1.00 C +ATOM 1608 O GLY A 105 -14.668 2.859 1.582 1.00 1.00 O +ATOM 1609 H GLY A 105 -12.770 5.672 0.383 1.00 1.00 H +ATOM 1610 HA2 GLY A 105 -12.645 3.366 -0.929 1.00 1.00 H +ATOM 1611 HA3 GLY A 105 -12.065 3.531 0.715 1.00 1.00 H +ATOM 1612 N ILE A 106 -14.171 1.559 -0.201 1.00 1.00 N +ATOM 1613 CA ILE A 106 -15.151 0.538 0.129 1.00 1.00 C +ATOM 1614 C ILE A 106 -14.703 -0.202 1.392 1.00 1.00 C +ATOM 1615 O ILE A 106 -15.519 -0.498 2.264 1.00 1.00 O +ATOM 1616 CB ILE A 106 -15.393 -0.381 -1.069 1.00 1.00 C +ATOM 1617 CG1 ILE A 106 -16.570 -1.322 -0.810 1.00 1.00 C +ATOM 1618 CG2 ILE A 106 -14.118 -1.143 -1.440 1.00 1.00 C +ATOM 1619 CD1 ILE A 106 -16.266 -2.273 0.350 1.00 1.00 C +ATOM 1620 H ILE A 106 -13.640 1.382 -1.029 1.00 1.00 H +ATOM 1621 HA ILE A 106 -16.093 1.046 0.342 1.00 1.00 H +ATOM 1622 HB ILE A 106 -15.659 0.238 -1.926 1.00 1.00 H +ATOM 1623 HG12 ILE A 106 -17.463 -0.741 -0.583 1.00 1.00 H +ATOM 1624 HG13 ILE A 106 -16.784 -1.899 -1.710 1.00 1.00 H +ATOM 1625 HG21 ILE A 106 -13.299 -0.438 -1.575 1.00 1.00 H +ATOM 1626 HG22 ILE A 106 -13.868 -1.843 -0.643 1.00 1.00 H +ATOM 1627 HG23 ILE A 106 -14.282 -1.693 -2.368 1.00 1.00 H +ATOM 1628 HD11 ILE A 106 -15.193 -2.284 0.540 1.00 1.00 H +ATOM 1629 HD12 ILE A 106 -16.789 -1.935 1.244 1.00 1.00 H +ATOM 1630 HD13 ILE A 106 -16.599 -3.279 0.093 1.00 1.00 H +ATOM 1631 N HIS A 107 -13.410 -0.479 1.449 1.00 1.00 N +ATOM 1632 CA HIS A 107 -12.844 -1.179 2.590 1.00 1.00 C +ATOM 1633 C HIS A 107 -11.353 -0.860 2.702 1.00 1.00 C +ATOM 1634 O HIS A 107 -10.739 -0.402 1.738 1.00 1.00 O +ATOM 1635 CB HIS A 107 -13.122 -2.681 2.499 1.00 1.00 C +ATOM 1636 CG HIS A 107 -12.476 -3.355 1.311 1.00 1.00 C +ATOM 1637 ND1 HIS A 107 -12.308 -4.726 1.227 1.00 1.00 N +ATOM 1638 CD2 HIS A 107 -11.958 -2.832 0.163 1.00 1.00 C +ATOM 1639 CE1 HIS A 107 -11.714 -5.003 0.075 1.00 1.00 C +ATOM 1640 NE2 HIS A 107 -11.498 -3.829 -0.582 1.00 1.00 N +ATOM 1641 H HIS A 107 -12.753 -0.236 0.735 1.00 1.00 H +ATOM 1642 HA HIS A 107 -13.355 -0.801 3.474 1.00 1.00 H +ATOM 1643 HB2 HIS A 107 -12.770 -3.162 3.412 1.00 1.00 H +ATOM 1644 HB3 HIS A 107 -14.200 -2.838 2.449 1.00 1.00 H +ATOM 1645 HD1 HIS A 107 -12.587 -5.393 1.917 1.00 1.00 H +ATOM 1646 HD2 HIS A 107 -11.928 -1.774 -0.099 1.00 1.00 H +ATOM 1647 HE1 HIS A 107 -11.446 -5.998 -0.284 1.00 1.00 H +ATOM 1648 N ARG A 108 -10.813 -1.110 3.886 1.00 1.00 N +ATOM 1649 CA ARG A 108 -9.404 -0.853 4.135 1.00 1.00 C +ATOM 1650 C ARG A 108 -9.103 0.640 3.992 1.00 1.00 C +ATOM 1651 O ARG A 108 -8.671 1.091 2.933 1.00 1.00 O +ATOM 1652 CB ARG A 108 -8.521 -1.639 3.163 1.00 1.00 C +ATOM 1653 CG ARG A 108 -8.793 -3.142 3.266 1.00 1.00 C +ATOM 1654 CD ARG A 108 -9.784 -3.593 2.191 1.00 1.00 C +ATOM 1655 NE ARG A 108 -9.105 -4.476 1.217 1.00 1.00 N +ATOM 1656 CZ ARG A 108 -8.564 -5.662 1.528 1.00 1.00 C +ATOM 1657 NH1 ARG A 108 -8.620 -6.115 2.788 1.00 1.00 N +ATOM 1658 NH2 ARG A 108 -7.969 -6.396 0.578 1.00 1.00 N +ATOM 1659 H ARG A 108 -11.319 -1.481 4.662 1.00 1.00 H +ATOM 1660 HA ARG A 108 -9.236 -1.192 5.158 1.00 1.00 H +ATOM 1661 HB2 ARG A 108 -8.705 -1.301 2.144 1.00 1.00 H +ATOM 1662 HB3 ARG A 108 -7.471 -1.441 3.380 1.00 1.00 H +ATOM 1663 HG2 ARG A 108 -7.860 -3.693 3.160 1.00 1.00 H +ATOM 1664 HG3 ARG A 108 -9.192 -3.375 4.254 1.00 1.00 H +ATOM 1665 HD2 ARG A 108 -10.619 -4.120 2.654 1.00 1.00 H +ATOM 1666 HD3 ARG A 108 -10.200 -2.725 1.681 1.00 1.00 H +ATOM 1667 HE ARG A 108 -9.047 -4.169 0.267 1.00 1.00 H +ATOM 1668 HH11 ARG A 108 -9.064 -5.567 3.496 1.00 1.00 H +ATOM 1669 HH12 ARG A 108 -8.216 -7.000 3.019 1.00 1.00 H +ATOM 1670 HH21 ARG A 108 -7.927 -6.058 -0.363 1.00 1.00 H +ATOM 1671 HH22 ARG A 108 -7.564 -7.281 0.809 1.00 1.00 H +ATOM 1672 N ASP A 109 -9.344 1.365 5.075 1.00 1.00 N +ATOM 1673 CA ASP A 109 -9.103 2.798 5.085 1.00 1.00 C +ATOM 1674 C ASP A 109 -9.865 3.447 3.927 1.00 1.00 C +ATOM 1675 O ASP A 109 -10.867 2.835 3.495 1.00 1.00 O +ATOM 1676 CB ASP A 109 -7.617 3.108 4.905 1.00 1.00 C +ATOM 1677 CG ASP A 109 -7.051 4.148 5.874 1.00 1.00 C +ATOM 1678 OD1 ASP A 109 -7.671 5.194 6.123 1.00 1.00 O +ATOM 1679 OD2 ASP A 109 -5.909 3.847 6.393 1.00 1.00 O +ATOM 1680 OXT ASP A 109 -9.493 4.521 3.459 1.00 1.00 O +ATOM 1681 H ASP A 109 -9.695 0.990 5.932 1.00 1.00 H +ATOM 1682 HA ASP A 109 -9.454 3.140 6.058 1.00 1.00 H +ATOM 1683 HB2 ASP A 109 -7.051 2.184 5.017 1.00 1.00 H +ATOM 1684 HB3 ASP A 109 -7.455 3.459 3.885 1.00 1.00 H +TER 1685 ASP A 109 +ENDMDL +MODEL 15 +ATOM 1 N GLY A 1 -6.705 -5.052 9.508 1.00 1.00 N +ATOM 2 CA GLY A 1 -5.634 -4.077 9.401 1.00 1.00 C +ATOM 3 C GLY A 1 -5.470 -3.599 7.955 1.00 1.00 C +ATOM 4 O GLY A 1 -6.058 -2.595 7.560 1.00 1.00 O +ATOM 5 H1 GLY A 1 -6.531 -5.816 8.865 1.00 1.00 H +ATOM 6 H2 GLY A 1 -6.743 -5.410 10.456 1.00 1.00 H +ATOM 7 H3 GLY A 1 -7.589 -4.611 9.278 1.00 1.00 H +ATOM 8 HA2 GLY A 1 -5.846 -3.224 10.047 1.00 1.00 H +ATOM 9 HA3 GLY A 1 -4.701 -4.516 9.751 1.00 1.00 H +ATOM 10 N SER A 2 -4.666 -4.343 7.209 1.00 1.00 N +ATOM 11 CA SER A 2 -4.416 -4.008 5.817 1.00 1.00 C +ATOM 12 C SER A 2 -3.341 -2.926 5.724 1.00 1.00 C +ATOM 13 O SER A 2 -2.359 -3.082 4.999 1.00 1.00 O +ATOM 14 CB SER A 2 -5.699 -3.544 5.125 1.00 1.00 C +ATOM 15 OG SER A 2 -5.820 -2.124 5.122 1.00 1.00 O +ATOM 16 H SER A 2 -4.191 -5.159 7.540 1.00 1.00 H +ATOM 17 HA SER A 2 -4.071 -4.933 5.356 1.00 1.00 H +ATOM 18 HB2 SER A 2 -5.710 -3.911 4.098 1.00 1.00 H +ATOM 19 HB3 SER A 2 -6.562 -3.980 5.628 1.00 1.00 H +ATOM 20 HG SER A 2 -6.752 -1.861 4.874 1.00 1.00 H +ATOM 21 N GLY A 3 -3.561 -1.852 6.467 1.00 1.00 N +ATOM 22 CA GLY A 3 -2.622 -0.743 6.478 1.00 1.00 C +ATOM 23 C GLY A 3 -2.774 0.117 5.222 1.00 1.00 C +ATOM 24 O GLY A 3 -1.828 0.274 4.453 1.00 1.00 O +ATOM 25 H GLY A 3 -4.361 -1.733 7.055 1.00 1.00 H +ATOM 26 HA2 GLY A 3 -2.785 -0.131 7.364 1.00 1.00 H +ATOM 27 HA3 GLY A 3 -1.603 -1.126 6.539 1.00 1.00 H +ATOM 28 N ASN A 4 -3.975 0.652 5.053 1.00 1.00 N +ATOM 29 CA ASN A 4 -4.265 1.493 3.904 1.00 1.00 C +ATOM 30 C ASN A 4 -4.059 0.684 2.622 1.00 1.00 C +ATOM 31 O ASN A 4 -3.493 -0.408 2.656 1.00 1.00 O +ATOM 32 CB ASN A 4 -3.330 2.702 3.856 1.00 1.00 C +ATOM 33 CG ASN A 4 -3.734 3.750 4.895 1.00 1.00 C +ATOM 34 OD1 ASN A 4 -4.891 4.115 5.027 1.00 1.00 O +ATOM 35 ND2 ASN A 4 -2.720 4.211 5.622 1.00 1.00 N +ATOM 36 H ASN A 4 -4.740 0.520 5.683 1.00 1.00 H +ATOM 37 HA ASN A 4 -5.299 1.811 4.034 1.00 1.00 H +ATOM 38 HB2 ASN A 4 -2.304 2.381 4.038 1.00 1.00 H +ATOM 39 HB3 ASN A 4 -3.352 3.145 2.860 1.00 1.00 H +ATOM 40 HD21 ASN A 4 -1.795 3.868 5.461 1.00 1.00 H +ATOM 41 HD22 ASN A 4 -2.883 4.900 6.328 1.00 1.00 H +ATOM 42 N SER A 5 -4.529 1.251 1.520 1.00 1.00 N +ATOM 43 CA SER A 5 -4.403 0.596 0.229 1.00 1.00 C +ATOM 44 C SER A 5 -3.926 1.601 -0.823 1.00 1.00 C +ATOM 45 O SER A 5 -4.719 2.089 -1.626 1.00 1.00 O +ATOM 46 CB SER A 5 -5.729 -0.032 -0.202 1.00 1.00 C +ATOM 47 OG SER A 5 -5.562 -1.370 -0.663 1.00 1.00 O +ATOM 48 H SER A 5 -4.987 2.138 1.500 1.00 1.00 H +ATOM 49 HA SER A 5 -3.661 -0.188 0.374 1.00 1.00 H +ATOM 50 HB2 SER A 5 -6.424 -0.023 0.638 1.00 1.00 H +ATOM 51 HB3 SER A 5 -6.177 0.572 -0.993 1.00 1.00 H +ATOM 52 HG SER A 5 -4.650 -1.483 -1.059 1.00 1.00 H +ATOM 53 N LEU A 6 -2.630 1.879 -0.784 1.00 1.00 N +ATOM 54 CA LEU A 6 -2.037 2.816 -1.722 1.00 1.00 C +ATOM 55 C LEU A 6 -2.993 3.991 -1.935 1.00 1.00 C +ATOM 56 O LEU A 6 -3.279 4.366 -3.071 1.00 1.00 O +ATOM 57 CB LEU A 6 -1.646 2.100 -3.017 1.00 1.00 C +ATOM 58 CG LEU A 6 -0.347 1.291 -2.970 1.00 1.00 C +ATOM 59 CD1 LEU A 6 0.864 2.208 -2.792 1.00 1.00 C +ATOM 60 CD2 LEU A 6 -0.413 0.212 -1.888 1.00 1.00 C +ATOM 61 H LEU A 6 -1.991 1.477 -0.128 1.00 1.00 H +ATOM 62 HA LEU A 6 -1.120 3.193 -1.273 1.00 1.00 H +ATOM 63 HB2 LEU A 6 -2.458 1.430 -3.299 1.00 1.00 H +ATOM 64 HB3 LEU A 6 -1.556 2.846 -3.808 1.00 1.00 H +ATOM 65 HG LEU A 6 -0.228 0.781 -3.926 1.00 1.00 H +ATOM 66 HD11 LEU A 6 0.537 3.169 -2.392 1.00 1.00 H +ATOM 67 HD12 LEU A 6 1.569 1.748 -2.100 1.00 1.00 H +ATOM 68 HD13 LEU A 6 1.348 2.362 -3.755 1.00 1.00 H +ATOM 69 HD21 LEU A 6 -1.447 -0.106 -1.754 1.00 1.00 H +ATOM 70 HD22 LEU A 6 0.194 -0.642 -2.188 1.00 1.00 H +ATOM 71 HD23 LEU A 6 -0.034 0.615 -0.949 1.00 1.00 H +ATOM 72 N GLU A 7 -3.460 4.541 -0.823 1.00 1.00 N +ATOM 73 CA GLU A 7 -4.377 5.667 -0.874 1.00 1.00 C +ATOM 74 C GLU A 7 -3.624 6.949 -1.231 1.00 1.00 C +ATOM 75 O GLU A 7 -3.582 7.890 -0.440 1.00 1.00 O +ATOM 76 CB GLU A 7 -5.127 5.822 0.451 1.00 1.00 C +ATOM 77 CG GLU A 7 -6.627 5.588 0.262 1.00 1.00 C +ATOM 78 CD GLU A 7 -7.235 4.911 1.492 1.00 1.00 C +ATOM 79 OE1 GLU A 7 -7.049 5.534 2.606 1.00 1.00 O +ATOM 80 OE2 GLU A 7 -7.851 3.841 1.371 1.00 1.00 O +ATOM 81 H GLU A 7 -3.222 4.229 0.097 1.00 1.00 H +ATOM 82 HA GLU A 7 -5.090 5.424 -1.661 1.00 1.00 H +ATOM 83 HB2 GLU A 7 -4.734 5.115 1.181 1.00 1.00 H +ATOM 84 HB3 GLU A 7 -4.959 6.822 0.853 1.00 1.00 H +ATOM 85 HG2 GLU A 7 -7.128 6.540 0.082 1.00 1.00 H +ATOM 86 HG3 GLU A 7 -6.795 4.968 -0.619 1.00 1.00 H +ATOM 87 N LYS A 8 -3.048 6.946 -2.425 1.00 1.00 N +ATOM 88 CA LYS A 8 -2.298 8.098 -2.897 1.00 1.00 C +ATOM 89 C LYS A 8 -3.231 9.308 -2.979 1.00 1.00 C +ATOM 90 O LYS A 8 -3.863 9.677 -1.991 1.00 1.00 O +ATOM 91 CB LYS A 8 -1.593 7.774 -4.215 1.00 1.00 C +ATOM 92 CG LYS A 8 -0.214 8.434 -4.276 1.00 1.00 C +ATOM 93 CD LYS A 8 -0.329 9.911 -4.657 1.00 1.00 C +ATOM 94 CE LYS A 8 0.991 10.644 -4.414 1.00 1.00 C +ATOM 95 NZ LYS A 8 2.066 10.069 -5.252 1.00 1.00 N +ATOM 96 H LYS A 8 -3.086 6.177 -3.063 1.00 1.00 H +ATOM 97 HA LYS A 8 -1.524 8.308 -2.159 1.00 1.00 H +ATOM 98 HB2 LYS A 8 -1.489 6.695 -4.321 1.00 1.00 H +ATOM 99 HB3 LYS A 8 -2.202 8.118 -5.052 1.00 1.00 H +ATOM 100 HG2 LYS A 8 0.280 8.343 -3.308 1.00 1.00 H +ATOM 101 HG3 LYS A 8 0.410 7.915 -5.002 1.00 1.00 H +ATOM 102 HD2 LYS A 8 -0.610 9.998 -5.707 1.00 1.00 H +ATOM 103 HD3 LYS A 8 -1.123 10.381 -4.075 1.00 1.00 H +ATOM 104 HE2 LYS A 8 0.873 11.704 -4.641 1.00 1.00 H +ATOM 105 HE3 LYS A 8 1.264 10.574 -3.361 1.00 1.00 H +ATOM 106 HZ1 LYS A 8 1.953 9.070 -5.380 1.00 1.00 H +ATOM 107 HZ2 LYS A 8 2.055 10.507 -6.162 1.00 1.00 H +ATOM 108 HZ3 LYS A 8 2.961 10.231 -4.811 1.00 1.00 H +ATOM 109 N HIS A 9 -3.284 9.895 -4.167 1.00 1.00 N +ATOM 110 CA HIS A 9 -4.128 11.056 -4.391 1.00 1.00 C +ATOM 111 C HIS A 9 -5.598 10.630 -4.389 1.00 1.00 C +ATOM 112 O HIS A 9 -5.911 9.466 -4.141 1.00 1.00 O +ATOM 113 CB HIS A 9 -3.723 11.782 -5.674 1.00 1.00 C +ATOM 114 CG HIS A 9 -2.589 12.763 -5.493 1.00 1.00 C +ATOM 115 ND1 HIS A 9 -1.752 12.746 -4.391 1.00 1.00 N +ATOM 116 CD2 HIS A 9 -2.164 13.789 -6.285 1.00 1.00 C +ATOM 117 CE1 HIS A 9 -0.866 13.723 -4.522 1.00 1.00 C +ATOM 118 NE2 HIS A 9 -1.124 14.368 -5.697 1.00 1.00 N +ATOM 119 H HIS A 9 -2.766 9.588 -4.965 1.00 1.00 H +ATOM 120 HA HIS A 9 -3.954 11.734 -3.555 1.00 1.00 H +ATOM 121 HB2 HIS A 9 -3.434 11.043 -6.422 1.00 1.00 H +ATOM 122 HB3 HIS A 9 -4.590 12.313 -6.068 1.00 1.00 H +ATOM 123 HD1 HIS A 9 -1.806 12.106 -3.624 1.00 1.00 H +ATOM 124 HD2 HIS A 9 -2.602 14.083 -7.238 1.00 1.00 H +ATOM 125 HE1 HIS A 9 -0.073 13.967 -3.818 1.00 1.00 H +ATOM 126 N SER A 10 -6.461 11.596 -4.668 1.00 1.00 N +ATOM 127 CA SER A 10 -7.890 11.336 -4.702 1.00 1.00 C +ATOM 128 C SER A 10 -8.257 10.598 -5.992 1.00 1.00 C +ATOM 129 O SER A 10 -9.411 10.220 -6.187 1.00 1.00 O +ATOM 130 CB SER A 10 -8.689 12.636 -4.587 1.00 1.00 C +ATOM 131 OG SER A 10 -8.291 13.594 -5.564 1.00 1.00 O +ATOM 132 H SER A 10 -6.198 12.540 -4.869 1.00 1.00 H +ATOM 133 HA SER A 10 -8.090 10.710 -3.833 1.00 1.00 H +ATOM 134 HB2 SER A 10 -9.750 12.420 -4.704 1.00 1.00 H +ATOM 135 HB3 SER A 10 -8.556 13.056 -3.591 1.00 1.00 H +ATOM 136 HG SER A 10 -7.297 13.699 -5.557 1.00 1.00 H +ATOM 137 N TRP A 11 -7.255 10.417 -6.838 1.00 1.00 N +ATOM 138 CA TRP A 11 -7.457 9.731 -8.103 1.00 1.00 C +ATOM 139 C TRP A 11 -6.721 8.392 -8.039 1.00 1.00 C +ATOM 140 O TRP A 11 -6.562 7.717 -9.055 1.00 1.00 O +ATOM 141 CB TRP A 11 -7.010 10.605 -9.277 1.00 1.00 C +ATOM 142 CG TRP A 11 -5.752 11.428 -8.996 1.00 1.00 C +ATOM 143 CD1 TRP A 11 -5.650 12.758 -8.856 1.00 1.00 C +ATOM 144 CD2 TRP A 11 -4.411 10.921 -8.826 1.00 1.00 C +ATOM 145 NE1 TRP A 11 -4.348 13.142 -8.610 1.00 1.00 N +ATOM 146 CE2 TRP A 11 -3.571 11.989 -8.591 1.00 1.00 C +ATOM 147 CE3 TRP A 11 -3.926 9.603 -8.872 1.00 1.00 C +ATOM 148 CZ2 TRP A 11 -2.194 11.850 -8.381 1.00 1.00 C +ATOM 149 CZ3 TRP A 11 -2.547 9.479 -8.660 1.00 1.00 C +ATOM 150 CH2 TRP A 11 -1.688 10.545 -8.421 1.00 1.00 C +ATOM 151 H TRP A 11 -6.318 10.728 -6.671 1.00 1.00 H +ATOM 152 HA TRP A 11 -8.528 9.564 -8.222 1.00 1.00 H +ATOM 153 HB2 TRP A 11 -6.829 9.967 -10.143 1.00 1.00 H +ATOM 154 HB3 TRP A 11 -7.823 11.281 -9.545 1.00 1.00 H +ATOM 155 HD1 TRP A 11 -6.490 13.448 -8.928 1.00 1.00 H +ATOM 156 HE1 TRP A 11 -3.994 14.161 -8.456 1.00 1.00 H +ATOM 157 HE3 TRP A 11 -4.569 8.741 -9.056 1.00 1.00 H +ATOM 158 HZ2 TRP A 11 -1.551 12.710 -8.196 1.00 1.00 H +ATOM 159 HZ3 TRP A 11 -2.118 8.478 -8.685 1.00 1.00 H +ATOM 160 HH2 TRP A 11 -0.624 10.366 -8.265 1.00 1.00 H +ATOM 161 N TYR A 12 -6.289 8.048 -6.834 1.00 1.00 N +ATOM 162 CA TYR A 12 -5.572 6.801 -6.624 1.00 1.00 C +ATOM 163 C TYR A 12 -6.195 5.998 -5.481 1.00 1.00 C +ATOM 164 O TYR A 12 -6.285 6.482 -4.355 1.00 1.00 O +ATOM 165 CB TYR A 12 -4.146 7.194 -6.238 1.00 1.00 C +ATOM 166 CG TYR A 12 -3.067 6.278 -6.820 1.00 1.00 C +ATOM 167 CD1 TYR A 12 -2.756 6.343 -8.163 1.00 1.00 C +ATOM 168 CD2 TYR A 12 -2.407 5.384 -6.001 1.00 1.00 C +ATOM 169 CE1 TYR A 12 -1.742 5.480 -8.710 1.00 1.00 C +ATOM 170 CE2 TYR A 12 -1.394 4.522 -6.548 1.00 1.00 C +ATOM 171 CZ TYR A 12 -1.111 4.612 -7.876 1.00 1.00 C +ATOM 172 OH TYR A 12 -0.153 3.797 -8.393 1.00 1.00 O +ATOM 173 H TYR A 12 -6.421 8.603 -6.013 1.00 1.00 H +ATOM 174 HA TYR A 12 -5.634 6.220 -7.545 1.00 1.00 H +ATOM 175 HB2 TYR A 12 -3.958 8.215 -6.572 1.00 1.00 H +ATOM 176 HB3 TYR A 12 -4.061 7.194 -5.152 1.00 1.00 H +ATOM 177 HD1 TYR A 12 -3.278 7.050 -8.809 1.00 1.00 H +ATOM 178 HD2 TYR A 12 -2.652 5.332 -4.941 1.00 1.00 H +ATOM 179 HE1 TYR A 12 -1.487 5.523 -9.768 1.00 1.00 H +ATOM 180 HE2 TYR A 12 -0.864 3.811 -5.914 1.00 1.00 H +ATOM 181 HH TYR A 12 0.680 4.320 -8.575 1.00 1.00 H +ATOM 182 N HIS A 13 -6.607 4.783 -5.811 1.00 1.00 N +ATOM 183 CA HIS A 13 -7.218 3.906 -4.825 1.00 1.00 C +ATOM 184 C HIS A 13 -6.467 2.574 -4.787 1.00 1.00 C +ATOM 185 O HIS A 13 -5.675 2.329 -3.878 1.00 1.00 O +ATOM 186 CB HIS A 13 -8.713 3.736 -5.103 1.00 1.00 C +ATOM 187 CG HIS A 13 -9.143 4.219 -6.468 1.00 1.00 C +ATOM 188 ND1 HIS A 13 -10.273 3.741 -7.110 1.00 1.00 N +ATOM 189 CD2 HIS A 13 -8.586 5.141 -7.304 1.00 1.00 C +ATOM 190 CE1 HIS A 13 -10.380 4.353 -8.279 1.00 1.00 C +ATOM 191 NE2 HIS A 13 -9.334 5.220 -8.397 1.00 1.00 N +ATOM 192 H HIS A 13 -6.531 4.396 -6.730 1.00 1.00 H +ATOM 193 HA HIS A 13 -7.113 4.402 -3.860 1.00 1.00 H +ATOM 194 HB2 HIS A 13 -8.973 2.682 -5.003 1.00 1.00 H +ATOM 195 HB3 HIS A 13 -9.277 4.277 -4.342 1.00 1.00 H +ATOM 196 HD1 HIS A 13 -10.901 3.050 -6.751 1.00 1.00 H +ATOM 197 HD2 HIS A 13 -7.681 5.714 -7.106 1.00 1.00 H +ATOM 198 HE1 HIS A 13 -11.166 4.193 -9.017 1.00 1.00 H +ATOM 199 N GLY A 14 -6.742 1.748 -5.786 1.00 1.00 N +ATOM 200 CA GLY A 14 -6.100 0.447 -5.878 1.00 1.00 C +ATOM 201 C GLY A 14 -6.075 -0.051 -7.324 1.00 1.00 C +ATOM 202 O GLY A 14 -6.152 0.745 -8.259 1.00 1.00 O +ATOM 203 H GLY A 14 -7.386 1.955 -6.520 1.00 1.00 H +ATOM 204 HA2 GLY A 14 -5.084 0.511 -5.492 1.00 1.00 H +ATOM 205 HA3 GLY A 14 -6.634 -0.269 -5.252 1.00 1.00 H +ATOM 206 N PRO A 15 -5.962 -1.398 -7.466 1.00 1.00 N +ATOM 207 CA PRO A 15 -5.924 -2.011 -8.784 1.00 1.00 C +ATOM 208 C PRO A 15 -7.315 -2.025 -9.422 1.00 1.00 C +ATOM 209 O PRO A 15 -8.197 -2.761 -8.980 1.00 1.00 O +ATOM 210 CB PRO A 15 -5.362 -3.405 -8.552 1.00 1.00 C +ATOM 211 CG PRO A 15 -5.541 -3.685 -7.070 1.00 1.00 C +ATOM 212 CD PRO A 15 -5.867 -2.371 -6.382 1.00 1.00 C +ATOM 213 HA PRO A 15 -5.346 -1.475 -9.399 1.00 1.00 H +ATOM 214 HB2 PRO A 15 -5.889 -4.143 -9.158 1.00 1.00 H +ATOM 215 HB3 PRO A 15 -4.310 -3.453 -8.836 1.00 1.00 H +ATOM 216 HG2 PRO A 15 -6.343 -4.408 -6.913 1.00 1.00 H +ATOM 217 HG3 PRO A 15 -4.634 -4.121 -6.652 1.00 1.00 H +ATOM 218 HD2 PRO A 15 -6.803 -2.436 -5.826 1.00 1.00 H +ATOM 219 HD3 PRO A 15 -5.091 -2.094 -5.668 1.00 1.00 H +ATOM 220 N VAL A 16 -7.467 -1.203 -10.449 1.00 1.00 N +ATOM 221 CA VAL A 16 -8.735 -1.113 -11.152 1.00 1.00 C +ATOM 222 C VAL A 16 -8.577 -1.692 -12.560 1.00 1.00 C +ATOM 223 O VAL A 16 -7.596 -1.409 -13.244 1.00 1.00 O +ATOM 224 CB VAL A 16 -9.229 0.336 -11.156 1.00 1.00 C +ATOM 225 CG1 VAL A 16 -8.582 1.134 -12.288 1.00 1.00 C +ATOM 226 CG2 VAL A 16 -10.756 0.393 -11.245 1.00 1.00 C +ATOM 227 H VAL A 16 -6.745 -0.609 -10.802 1.00 1.00 H +ATOM 228 HA VAL A 16 -9.460 -1.714 -10.604 1.00 1.00 H +ATOM 229 HB VAL A 16 -8.933 0.793 -10.211 1.00 1.00 H +ATOM 230 HG11 VAL A 16 -8.728 0.608 -13.232 1.00 1.00 H +ATOM 231 HG12 VAL A 16 -9.041 2.121 -12.346 1.00 1.00 H +ATOM 232 HG13 VAL A 16 -7.515 1.241 -12.094 1.00 1.00 H +ATOM 233 HG21 VAL A 16 -11.190 -0.263 -10.493 1.00 1.00 H +ATOM 234 HG22 VAL A 16 -11.091 1.416 -11.073 1.00 1.00 H +ATOM 235 HG23 VAL A 16 -11.073 0.069 -12.237 1.00 1.00 H +ATOM 236 N SER A 17 -9.557 -2.495 -12.949 1.00 1.00 N +ATOM 237 CA SER A 17 -9.538 -3.117 -14.260 1.00 1.00 C +ATOM 238 C SER A 17 -9.892 -2.086 -15.334 1.00 1.00 C +ATOM 239 O SER A 17 -10.842 -1.322 -15.177 1.00 1.00 O +ATOM 240 CB SER A 17 -10.506 -4.300 -14.324 1.00 1.00 C +ATOM 241 OG SER A 17 -9.836 -5.524 -14.615 1.00 1.00 O +ATOM 242 H SER A 17 -10.352 -2.721 -12.384 1.00 1.00 H +ATOM 243 HA SER A 17 -8.519 -3.476 -14.396 1.00 1.00 H +ATOM 244 HB2 SER A 17 -11.030 -4.391 -13.371 1.00 1.00 H +ATOM 245 HB3 SER A 17 -11.263 -4.110 -15.086 1.00 1.00 H +ATOM 246 HG SER A 17 -8.897 -5.488 -14.275 1.00 1.00 H +ATOM 247 N ARG A 18 -9.106 -2.097 -16.401 1.00 1.00 N +ATOM 248 CA ARG A 18 -9.323 -1.172 -17.501 1.00 1.00 C +ATOM 249 C ARG A 18 -10.749 -1.310 -18.037 1.00 1.00 C +ATOM 250 O ARG A 18 -11.393 -0.315 -18.365 1.00 1.00 O +ATOM 251 CB ARG A 18 -8.331 -1.424 -18.638 1.00 1.00 C +ATOM 252 CG ARG A 18 -9.044 -1.966 -19.877 1.00 1.00 C +ATOM 253 CD ARG A 18 -8.059 -2.174 -21.029 1.00 1.00 C +ATOM 254 NE ARG A 18 -8.593 -3.180 -21.976 1.00 1.00 N +ATOM 255 CZ ARG A 18 -7.829 -3.931 -22.782 1.00 1.00 C +ATOM 256 NH1 ARG A 18 -6.496 -3.794 -22.764 1.00 1.00 N +ATOM 257 NH2 ARG A 18 -8.400 -4.817 -23.607 1.00 1.00 N +ATOM 258 H ARG A 18 -8.334 -2.721 -16.522 1.00 1.00 H +ATOM 259 HA ARG A 18 -9.161 -0.183 -17.070 1.00 1.00 H +ATOM 260 HB2 ARG A 18 -7.815 -0.497 -18.886 1.00 1.00 H +ATOM 261 HB3 ARG A 18 -7.572 -2.134 -18.311 1.00 1.00 H +ATOM 262 HG2 ARG A 18 -9.533 -2.910 -19.637 1.00 1.00 H +ATOM 263 HG3 ARG A 18 -9.826 -1.271 -20.184 1.00 1.00 H +ATOM 264 HD2 ARG A 18 -7.888 -1.230 -21.547 1.00 1.00 H +ATOM 265 HD3 ARG A 18 -7.096 -2.503 -20.640 1.00 1.00 H +ATOM 266 HE ARG A 18 -9.583 -3.307 -22.015 1.00 1.00 H +ATOM 267 HH11 ARG A 18 -6.071 -3.130 -22.147 1.00 1.00 H +ATOM 268 HH12 ARG A 18 -5.928 -4.354 -23.365 1.00 1.00 H +ATOM 269 HH21 ARG A 18 -9.395 -4.921 -23.623 1.00 1.00 H +ATOM 270 HH22 ARG A 18 -7.831 -5.379 -24.210 1.00 1.00 H +ATOM 271 N ASN A 19 -11.201 -2.554 -18.111 1.00 1.00 N +ATOM 272 CA ASN A 19 -12.539 -2.836 -18.602 1.00 1.00 C +ATOM 273 C ASN A 19 -13.559 -2.059 -17.766 1.00 1.00 C +ATOM 274 O ASN A 19 -14.326 -1.261 -18.303 1.00 1.00 O +ATOM 275 CB ASN A 19 -12.867 -4.325 -18.483 1.00 1.00 C +ATOM 276 CG ASN A 19 -12.297 -4.911 -17.188 1.00 1.00 C +ATOM 277 OD1 ASN A 19 -12.962 -4.990 -16.168 1.00 1.00 O +ATOM 278 ND2 ASN A 19 -11.033 -5.314 -17.288 1.00 1.00 N +ATOM 279 H ASN A 19 -10.672 -3.359 -17.842 1.00 1.00 H +ATOM 280 HA ASN A 19 -12.532 -2.525 -19.646 1.00 1.00 H +ATOM 281 HB2 ASN A 19 -13.947 -4.467 -18.504 1.00 1.00 H +ATOM 282 HB3 ASN A 19 -12.458 -4.862 -19.339 1.00 1.00 H +ATOM 283 HD21 ASN A 19 -10.546 -5.221 -18.155 1.00 1.00 H +ATOM 284 HD22 ASN A 19 -10.573 -5.712 -16.494 1.00 1.00 H +ATOM 285 N ALA A 20 -13.534 -2.319 -16.468 1.00 1.00 N +ATOM 286 CA ALA A 20 -14.447 -1.655 -15.554 1.00 1.00 C +ATOM 287 C ALA A 20 -14.231 -0.142 -15.636 1.00 1.00 C +ATOM 288 O ALA A 20 -15.187 0.618 -15.786 1.00 1.00 O +ATOM 289 CB ALA A 20 -14.237 -2.198 -14.139 1.00 1.00 C +ATOM 290 H ALA A 20 -12.906 -2.970 -16.040 1.00 1.00 H +ATOM 291 HA ALA A 20 -15.463 -1.886 -15.872 1.00 1.00 H +ATOM 292 HB1 ALA A 20 -13.174 -2.190 -13.900 1.00 1.00 H +ATOM 293 HB2 ALA A 20 -14.776 -1.572 -13.427 1.00 1.00 H +ATOM 294 HB3 ALA A 20 -14.614 -3.219 -14.083 1.00 1.00 H +ATOM 295 N ALA A 21 -12.970 0.250 -15.533 1.00 1.00 N +ATOM 296 CA ALA A 21 -12.617 1.659 -15.593 1.00 1.00 C +ATOM 297 C ALA A 21 -13.411 2.331 -16.715 1.00 1.00 C +ATOM 298 O ALA A 21 -13.814 3.487 -16.589 1.00 1.00 O +ATOM 299 CB ALA A 21 -11.105 1.798 -15.784 1.00 1.00 C +ATOM 300 H ALA A 21 -12.198 -0.374 -15.411 1.00 1.00 H +ATOM 301 HA ALA A 21 -12.895 2.111 -14.641 1.00 1.00 H +ATOM 302 HB1 ALA A 21 -10.612 0.882 -15.460 1.00 1.00 H +ATOM 303 HB2 ALA A 21 -10.887 1.977 -16.836 1.00 1.00 H +ATOM 304 HB3 ALA A 21 -10.741 2.636 -15.190 1.00 1.00 H +ATOM 305 N GLU A 22 -13.613 1.579 -17.788 1.00 1.00 N +ATOM 306 CA GLU A 22 -14.351 2.088 -18.930 1.00 1.00 C +ATOM 307 C GLU A 22 -15.844 2.162 -18.607 1.00 1.00 C +ATOM 308 O GLU A 22 -16.510 3.137 -18.952 1.00 1.00 O +ATOM 309 CB GLU A 22 -14.100 1.230 -20.171 1.00 1.00 C +ATOM 310 CG GLU A 22 -12.793 1.629 -20.859 1.00 1.00 C +ATOM 311 CD GLU A 22 -13.064 2.270 -22.222 1.00 1.00 C +ATOM 312 OE1 GLU A 22 -14.087 2.981 -22.321 1.00 1.00 O +ATOM 313 OE2 GLU A 22 -12.241 2.034 -23.133 1.00 1.00 O +ATOM 314 H GLU A 22 -13.282 0.641 -17.882 1.00 1.00 H +ATOM 315 HA GLU A 22 -13.960 3.091 -19.105 1.00 1.00 H +ATOM 316 HB2 GLU A 22 -14.060 0.178 -19.888 1.00 1.00 H +ATOM 317 HB3 GLU A 22 -14.931 1.340 -20.868 1.00 1.00 H +ATOM 318 HG2 GLU A 22 -12.244 2.326 -20.227 1.00 1.00 H +ATOM 319 HG3 GLU A 22 -12.161 0.749 -20.986 1.00 1.00 H +ATOM 320 N TYR A 23 -16.328 1.118 -17.949 1.00 1.00 N +ATOM 321 CA TYR A 23 -17.730 1.053 -17.576 1.00 1.00 C +ATOM 322 C TYR A 23 -18.023 1.961 -16.380 1.00 1.00 C +ATOM 323 O TYR A 23 -18.851 2.866 -16.472 1.00 1.00 O +ATOM 324 CB TYR A 23 -17.992 -0.400 -17.173 1.00 1.00 C +ATOM 325 CG TYR A 23 -19.411 -0.659 -16.663 1.00 1.00 C +ATOM 326 CD1 TYR A 23 -20.487 -0.520 -17.516 1.00 1.00 C +ATOM 327 CD2 TYR A 23 -19.615 -1.032 -15.350 1.00 1.00 C +ATOM 328 CE1 TYR A 23 -21.822 -0.763 -17.036 1.00 1.00 C +ATOM 329 CE2 TYR A 23 -20.950 -1.276 -14.869 1.00 1.00 C +ATOM 330 CZ TYR A 23 -21.989 -1.128 -15.736 1.00 1.00 C +ATOM 331 OH TYR A 23 -23.250 -1.358 -15.283 1.00 1.00 O +ATOM 332 H TYR A 23 -15.780 0.328 -17.673 1.00 1.00 H +ATOM 333 HA TYR A 23 -18.321 1.385 -18.430 1.00 1.00 H +ATOM 334 HB2 TYR A 23 -17.803 -1.045 -18.032 1.00 1.00 H +ATOM 335 HB3 TYR A 23 -17.281 -0.686 -16.398 1.00 1.00 H +ATOM 336 HD1 TYR A 23 -20.327 -0.225 -18.553 1.00 1.00 H +ATOM 337 HD2 TYR A 23 -18.765 -1.143 -14.677 1.00 1.00 H +ATOM 338 HE1 TYR A 23 -22.682 -0.655 -17.698 1.00 1.00 H +ATOM 339 HE2 TYR A 23 -21.127 -1.570 -13.835 1.00 1.00 H +ATOM 340 HH TYR A 23 -23.889 -1.388 -16.051 1.00 1.00 H +ATOM 341 N LEU A 24 -17.327 1.689 -15.286 1.00 1.00 N +ATOM 342 CA LEU A 24 -17.501 2.470 -14.074 1.00 1.00 C +ATOM 343 C LEU A 24 -17.609 3.952 -14.439 1.00 1.00 C +ATOM 344 O LEU A 24 -18.519 4.643 -13.983 1.00 1.00 O +ATOM 345 CB LEU A 24 -16.385 2.163 -13.072 1.00 1.00 C +ATOM 346 CG LEU A 24 -16.620 2.643 -11.640 1.00 1.00 C +ATOM 347 CD1 LEU A 24 -17.028 1.481 -10.732 1.00 1.00 C +ATOM 348 CD2 LEU A 24 -15.394 3.387 -11.103 1.00 1.00 C +ATOM 349 H LEU A 24 -16.655 0.950 -15.220 1.00 1.00 H +ATOM 350 HA LEU A 24 -18.439 2.158 -13.616 1.00 1.00 H +ATOM 351 HB2 LEU A 24 -16.229 1.084 -13.053 1.00 1.00 H +ATOM 352 HB3 LEU A 24 -15.462 2.612 -13.440 1.00 1.00 H +ATOM 353 HG LEU A 24 -17.448 3.351 -11.647 1.00 1.00 H +ATOM 354 HD11 LEU A 24 -16.285 0.686 -10.804 1.00 1.00 H +ATOM 355 HD12 LEU A 24 -17.087 1.829 -9.701 1.00 1.00 H +ATOM 356 HD13 LEU A 24 -18.000 1.100 -11.044 1.00 1.00 H +ATOM 357 HD21 LEU A 24 -14.510 2.760 -11.219 1.00 1.00 H +ATOM 358 HD22 LEU A 24 -15.258 4.313 -11.661 1.00 1.00 H +ATOM 359 HD23 LEU A 24 -15.541 3.616 -10.048 1.00 1.00 H +ATOM 360 N LEU A 25 -16.668 4.397 -15.258 1.00 1.00 N +ATOM 361 CA LEU A 25 -16.645 5.785 -15.690 1.00 1.00 C +ATOM 362 C LEU A 25 -18.019 6.162 -16.249 1.00 1.00 C +ATOM 363 O LEU A 25 -18.274 5.997 -17.441 1.00 1.00 O +ATOM 364 CB LEU A 25 -15.496 6.022 -16.670 1.00 1.00 C +ATOM 365 CG LEU A 25 -14.253 6.704 -16.094 1.00 1.00 C +ATOM 366 CD1 LEU A 25 -13.222 6.983 -17.190 1.00 1.00 C +ATOM 367 CD2 LEU A 25 -14.630 7.972 -15.326 1.00 1.00 C +ATOM 368 H LEU A 25 -15.931 3.829 -15.625 1.00 1.00 H +ATOM 369 HA LEU A 25 -16.451 6.397 -14.810 1.00 1.00 H +ATOM 370 HB2 LEU A 25 -15.197 5.060 -17.090 1.00 1.00 H +ATOM 371 HB3 LEU A 25 -15.867 6.628 -17.497 1.00 1.00 H +ATOM 372 HG LEU A 25 -13.789 6.022 -15.383 1.00 1.00 H +ATOM 373 HD11 LEU A 25 -13.662 7.634 -17.944 1.00 1.00 H +ATOM 374 HD12 LEU A 25 -12.350 7.470 -16.753 1.00 1.00 H +ATOM 375 HD13 LEU A 25 -12.920 6.043 -17.652 1.00 1.00 H +ATOM 376 HD21 LEU A 25 -15.502 8.431 -15.789 1.00 1.00 H +ATOM 377 HD22 LEU A 25 -14.861 7.715 -14.291 1.00 1.00 H +ATOM 378 HD23 LEU A 25 -13.795 8.673 -15.349 1.00 1.00 H +ATOM 379 N SER A 26 -18.866 6.661 -15.363 1.00 1.00 N +ATOM 380 CA SER A 26 -20.207 7.064 -15.753 1.00 1.00 C +ATOM 381 C SER A 26 -20.601 8.349 -15.023 1.00 1.00 C +ATOM 382 O SER A 26 -20.986 9.332 -15.654 1.00 1.00 O +ATOM 383 CB SER A 26 -21.221 5.955 -15.462 1.00 1.00 C +ATOM 384 OG SER A 26 -21.139 5.496 -14.116 1.00 1.00 O +ATOM 385 H SER A 26 -18.651 6.792 -14.395 1.00 1.00 H +ATOM 386 HA SER A 26 -20.156 7.235 -16.829 1.00 1.00 H +ATOM 387 HB2 SER A 26 -22.228 6.324 -15.659 1.00 1.00 H +ATOM 388 HB3 SER A 26 -21.051 5.120 -16.142 1.00 1.00 H +ATOM 389 HG SER A 26 -21.993 5.046 -13.856 1.00 1.00 H +ATOM 390 N SER A 27 -20.492 8.299 -13.704 1.00 1.00 N +ATOM 391 CA SER A 27 -20.832 9.447 -12.880 1.00 1.00 C +ATOM 392 C SER A 27 -19.715 10.491 -12.951 1.00 1.00 C +ATOM 393 O SER A 27 -18.634 10.286 -12.400 1.00 1.00 O +ATOM 394 CB SER A 27 -21.079 9.031 -11.429 1.00 1.00 C +ATOM 395 OG SER A 27 -22.452 8.739 -11.184 1.00 1.00 O +ATOM 396 H SER A 27 -20.178 7.496 -13.198 1.00 1.00 H +ATOM 397 HA SER A 27 -21.754 9.845 -13.306 1.00 1.00 H +ATOM 398 HB2 SER A 27 -20.475 8.155 -11.196 1.00 1.00 H +ATOM 399 HB3 SER A 27 -20.754 9.830 -10.763 1.00 1.00 H +ATOM 400 HG SER A 27 -22.589 8.526 -10.217 1.00 1.00 H +ATOM 401 N GLY A 28 -20.015 11.587 -13.632 1.00 1.00 N +ATOM 402 CA GLY A 28 -19.050 12.663 -13.781 1.00 1.00 C +ATOM 403 C GLY A 28 -19.506 13.666 -14.840 1.00 1.00 C +ATOM 404 O GLY A 28 -20.685 14.011 -14.909 1.00 1.00 O +ATOM 405 H GLY A 28 -20.897 11.746 -14.077 1.00 1.00 H +ATOM 406 HA2 GLY A 28 -18.917 13.171 -12.827 1.00 1.00 H +ATOM 407 HA3 GLY A 28 -18.080 12.251 -14.060 1.00 1.00 H +ATOM 408 N ILE A 29 -18.549 14.108 -15.644 1.00 1.00 N +ATOM 409 CA ILE A 29 -18.838 15.065 -16.697 1.00 1.00 C +ATOM 410 C ILE A 29 -18.323 14.520 -18.031 1.00 1.00 C +ATOM 411 O ILE A 29 -17.989 13.341 -18.137 1.00 1.00 O +ATOM 412 CB ILE A 29 -18.279 16.443 -16.339 1.00 1.00 C +ATOM 413 CG1 ILE A 29 -16.835 16.593 -16.826 1.00 1.00 C +ATOM 414 CG2 ILE A 29 -18.407 16.714 -14.838 1.00 1.00 C +ATOM 415 CD1 ILE A 29 -16.228 17.912 -16.345 1.00 1.00 C +ATOM 416 H ILE A 29 -17.592 13.823 -15.582 1.00 1.00 H +ATOM 417 HA ILE A 29 -19.922 15.164 -16.761 1.00 1.00 H +ATOM 418 HB ILE A 29 -18.872 17.198 -16.855 1.00 1.00 H +ATOM 419 HG12 ILE A 29 -16.236 15.759 -16.461 1.00 1.00 H +ATOM 420 HG13 ILE A 29 -16.810 16.552 -17.915 1.00 1.00 H +ATOM 421 HG21 ILE A 29 -19.094 15.992 -14.398 1.00 1.00 H +ATOM 422 HG22 ILE A 29 -17.430 16.621 -14.367 1.00 1.00 H +ATOM 423 HG23 ILE A 29 -18.791 17.722 -14.683 1.00 1.00 H +ATOM 424 HD11 ILE A 29 -17.019 18.556 -15.959 1.00 1.00 H +ATOM 425 HD12 ILE A 29 -15.504 17.713 -15.556 1.00 1.00 H +ATOM 426 HD13 ILE A 29 -15.731 18.409 -17.179 1.00 1.00 H +ATOM 427 N ASN A 30 -18.273 15.405 -19.016 1.00 1.00 N +ATOM 428 CA ASN A 30 -17.804 15.026 -20.339 1.00 1.00 C +ATOM 429 C ASN A 30 -16.277 14.945 -20.329 1.00 1.00 C +ATOM 430 O ASN A 30 -15.641 14.998 -21.380 1.00 1.00 O +ATOM 431 CB ASN A 30 -18.215 16.064 -21.386 1.00 1.00 C +ATOM 432 CG ASN A 30 -17.751 17.465 -20.982 1.00 1.00 C +ATOM 433 OD1 ASN A 30 -16.638 17.882 -21.257 1.00 1.00 O +ATOM 434 ND2 ASN A 30 -18.664 18.166 -20.315 1.00 1.00 N +ATOM 435 H ASN A 30 -18.547 16.362 -18.923 1.00 1.00 H +ATOM 436 HA ASN A 30 -18.273 14.065 -20.545 1.00 1.00 H +ATOM 437 HB2 ASN A 30 -17.786 15.799 -22.353 1.00 1.00 H +ATOM 438 HB3 ASN A 30 -19.298 16.056 -21.505 1.00 1.00 H +ATOM 439 HD21 ASN A 30 -19.559 17.764 -20.121 1.00 1.00 H +ATOM 440 HD22 ASN A 30 -18.456 19.094 -20.007 1.00 1.00 H +ATOM 441 N GLY A 31 -15.730 14.817 -19.128 1.00 1.00 N +ATOM 442 CA GLY A 31 -14.289 14.727 -18.968 1.00 1.00 C +ATOM 443 C GLY A 31 -13.925 14.152 -17.597 1.00 1.00 C +ATOM 444 O GLY A 31 -14.191 14.771 -16.568 1.00 1.00 O +ATOM 445 H GLY A 31 -16.254 14.775 -18.277 1.00 1.00 H +ATOM 446 HA2 GLY A 31 -13.871 14.099 -19.753 1.00 1.00 H +ATOM 447 HA3 GLY A 31 -13.845 15.717 -19.079 1.00 1.00 H +ATOM 448 N SER A 32 -13.321 12.973 -17.628 1.00 1.00 N +ATOM 449 CA SER A 32 -12.918 12.307 -16.401 1.00 1.00 C +ATOM 450 C SER A 32 -11.711 11.405 -16.667 1.00 1.00 C +ATOM 451 O SER A 32 -11.491 10.974 -17.798 1.00 1.00 O +ATOM 452 CB SER A 32 -14.071 11.489 -15.813 1.00 1.00 C +ATOM 453 OG SER A 32 -14.355 10.330 -16.591 1.00 1.00 O +ATOM 454 H SER A 32 -13.107 12.475 -18.469 1.00 1.00 H +ATOM 455 HA SER A 32 -12.652 13.109 -15.712 1.00 1.00 H +ATOM 456 HB2 SER A 32 -13.821 11.192 -14.794 1.00 1.00 H +ATOM 457 HB3 SER A 32 -14.962 12.114 -15.753 1.00 1.00 H +ATOM 458 HG SER A 32 -13.776 10.315 -17.406 1.00 1.00 H +ATOM 459 N PHE A 33 -10.960 11.147 -15.608 1.00 1.00 N +ATOM 460 CA PHE A 33 -9.780 10.304 -15.713 1.00 1.00 C +ATOM 461 C PHE A 33 -9.672 9.361 -14.513 1.00 1.00 C +ATOM 462 O PHE A 33 -10.427 9.484 -13.551 1.00 1.00 O +ATOM 463 CB PHE A 33 -8.566 11.234 -15.726 1.00 1.00 C +ATOM 464 CG PHE A 33 -8.768 12.512 -16.543 1.00 1.00 C +ATOM 465 CD1 PHE A 33 -9.844 13.309 -16.303 1.00 1.00 C +ATOM 466 CD2 PHE A 33 -7.875 12.850 -17.511 1.00 1.00 C +ATOM 467 CE1 PHE A 33 -10.033 14.494 -17.062 1.00 1.00 C +ATOM 468 CE2 PHE A 33 -8.063 14.035 -18.270 1.00 1.00 C +ATOM 469 CZ PHE A 33 -9.138 14.833 -18.029 1.00 1.00 C +ATOM 470 H PHE A 33 -11.145 11.502 -14.691 1.00 1.00 H +ATOM 471 HA PHE A 33 -9.882 9.718 -16.626 1.00 1.00 H +ATOM 472 HB2 PHE A 33 -8.319 11.508 -14.700 1.00 1.00 H +ATOM 473 HB3 PHE A 33 -7.710 10.692 -16.126 1.00 1.00 H +ATOM 474 HD1 PHE A 33 -10.562 13.038 -15.529 1.00 1.00 H +ATOM 475 HD2 PHE A 33 -7.013 12.211 -17.703 1.00 1.00 H +ATOM 476 HE1 PHE A 33 -10.894 15.133 -16.871 1.00 1.00 H +ATOM 477 HE2 PHE A 33 -7.345 14.305 -19.044 1.00 1.00 H +ATOM 478 HZ PHE A 33 -9.283 15.743 -18.612 1.00 1.00 H +ATOM 479 N LEU A 34 -8.726 8.439 -14.611 1.00 1.00 N +ATOM 480 CA LEU A 34 -8.508 7.473 -13.545 1.00 1.00 C +ATOM 481 C LEU A 34 -7.046 7.023 -13.562 1.00 1.00 C +ATOM 482 O LEU A 34 -6.248 7.521 -14.354 1.00 1.00 O +ATOM 483 CB LEU A 34 -9.509 6.321 -13.654 1.00 1.00 C +ATOM 484 CG LEU A 34 -10.647 6.323 -12.631 1.00 1.00 C +ATOM 485 CD1 LEU A 34 -11.589 5.139 -12.859 1.00 1.00 C +ATOM 486 CD2 LEU A 34 -10.100 6.353 -11.203 1.00 1.00 C +ATOM 487 H LEU A 34 -8.115 8.344 -15.397 1.00 1.00 H +ATOM 488 HA LEU A 34 -8.703 7.981 -12.601 1.00 1.00 H +ATOM 489 HB2 LEU A 34 -9.944 6.338 -14.653 1.00 1.00 H +ATOM 490 HB3 LEU A 34 -8.962 5.383 -13.560 1.00 1.00 H +ATOM 491 HG LEU A 34 -11.232 7.231 -12.772 1.00 1.00 H +ATOM 492 HD11 LEU A 34 -11.111 4.417 -13.523 1.00 1.00 H +ATOM 493 HD12 LEU A 34 -11.811 4.662 -11.904 1.00 1.00 H +ATOM 494 HD13 LEU A 34 -12.514 5.493 -13.313 1.00 1.00 H +ATOM 495 HD21 LEU A 34 -9.251 5.673 -11.124 1.00 1.00 H +ATOM 496 HD22 LEU A 34 -9.779 7.365 -10.959 1.00 1.00 H +ATOM 497 HD23 LEU A 34 -10.879 6.040 -10.509 1.00 1.00 H +ATOM 498 N VAL A 35 -6.739 6.085 -12.677 1.00 1.00 N +ATOM 499 CA VAL A 35 -5.387 5.563 -12.580 1.00 1.00 C +ATOM 500 C VAL A 35 -5.442 4.037 -12.483 1.00 1.00 C +ATOM 501 O VAL A 35 -6.274 3.486 -11.764 1.00 1.00 O +ATOM 502 CB VAL A 35 -4.659 6.211 -11.401 1.00 1.00 C +ATOM 503 CG1 VAL A 35 -4.769 5.345 -10.144 1.00 1.00 C +ATOM 504 CG2 VAL A 35 -3.195 6.490 -11.747 1.00 1.00 C +ATOM 505 H VAL A 35 -7.394 5.687 -12.035 1.00 1.00 H +ATOM 506 HA VAL A 35 -4.861 5.839 -13.494 1.00 1.00 H +ATOM 507 HB VAL A 35 -5.142 7.167 -11.193 1.00 1.00 H +ATOM 508 HG11 VAL A 35 -5.676 4.742 -10.199 1.00 1.00 H +ATOM 509 HG12 VAL A 35 -3.901 4.691 -10.078 1.00 1.00 H +ATOM 510 HG13 VAL A 35 -4.811 5.986 -9.263 1.00 1.00 H +ATOM 511 HG21 VAL A 35 -2.759 5.609 -12.217 1.00 1.00 H +ATOM 512 HG22 VAL A 35 -3.139 7.334 -12.434 1.00 1.00 H +ATOM 513 HG23 VAL A 35 -2.644 6.725 -10.837 1.00 1.00 H +ATOM 514 N ARG A 36 -4.544 3.397 -13.218 1.00 1.00 N +ATOM 515 CA ARG A 36 -4.480 1.946 -13.225 1.00 1.00 C +ATOM 516 C ARG A 36 -3.047 1.476 -12.957 1.00 1.00 C +ATOM 517 O ARG A 36 -2.102 1.980 -13.562 1.00 1.00 O +ATOM 518 CB ARG A 36 -4.952 1.379 -14.565 1.00 1.00 C +ATOM 519 CG ARG A 36 -5.704 0.061 -14.369 1.00 1.00 C +ATOM 520 CD ARG A 36 -4.945 -1.103 -15.009 1.00 1.00 C +ATOM 521 NE ARG A 36 -5.685 -2.367 -14.797 1.00 1.00 N +ATOM 522 CZ ARG A 36 -5.584 -3.123 -13.695 1.00 1.00 C +ATOM 523 NH1 ARG A 36 -4.772 -2.745 -12.698 1.00 1.00 N +ATOM 524 NH2 ARG A 36 -6.294 -4.254 -13.591 1.00 1.00 N +ATOM 525 H ARG A 36 -3.870 3.853 -13.800 1.00 1.00 H +ATOM 526 HA ARG A 36 -5.150 1.634 -12.424 1.00 1.00 H +ATOM 527 HB2 ARG A 36 -5.600 2.101 -15.061 1.00 1.00 H +ATOM 528 HB3 ARG A 36 -4.094 1.219 -15.219 1.00 1.00 H +ATOM 529 HG2 ARG A 36 -5.838 -0.130 -13.305 1.00 1.00 H +ATOM 530 HG3 ARG A 36 -6.698 0.137 -14.807 1.00 1.00 H +ATOM 531 HD2 ARG A 36 -4.816 -0.922 -16.076 1.00 1.00 H +ATOM 532 HD3 ARG A 36 -3.947 -1.180 -14.576 1.00 1.00 H +ATOM 533 HE ARG A 36 -6.300 -2.677 -15.523 1.00 1.00 H +ATOM 534 HH11 ARG A 36 -4.243 -1.901 -12.776 1.00 1.00 H +ATOM 535 HH12 ARG A 36 -4.697 -3.309 -11.875 1.00 1.00 H +ATOM 536 HH21 ARG A 36 -6.900 -4.535 -14.335 1.00 1.00 H +ATOM 537 HH22 ARG A 36 -6.218 -4.817 -12.767 1.00 1.00 H +ATOM 538 N GLU A 37 -2.932 0.519 -12.049 1.00 1.00 N +ATOM 539 CA GLU A 37 -1.631 -0.022 -11.693 1.00 1.00 C +ATOM 540 C GLU A 37 -1.527 -1.484 -12.133 1.00 1.00 C +ATOM 541 O GLU A 37 -2.278 -2.334 -11.657 1.00 1.00 O +ATOM 542 CB GLU A 37 -1.371 0.119 -10.192 1.00 1.00 C +ATOM 543 CG GLU A 37 -0.218 -0.785 -9.749 1.00 1.00 C +ATOM 544 CD GLU A 37 0.761 -0.025 -8.852 1.00 1.00 C +ATOM 545 OE1 GLU A 37 1.023 1.155 -9.172 1.00 1.00 O +ATOM 546 OE2 GLU A 37 1.227 -0.640 -7.870 1.00 1.00 O +ATOM 547 H GLU A 37 -3.706 0.116 -11.560 1.00 1.00 H +ATOM 548 HA GLU A 37 -0.907 0.581 -12.240 1.00 1.00 H +ATOM 549 HB2 GLU A 37 -1.134 1.157 -9.957 1.00 1.00 H +ATOM 550 HB3 GLU A 37 -2.272 -0.137 -9.637 1.00 1.00 H +ATOM 551 HG2 GLU A 37 -0.613 -1.648 -9.212 1.00 1.00 H +ATOM 552 HG3 GLU A 37 0.306 -1.169 -10.624 1.00 1.00 H +ATOM 553 N SER A 38 -0.590 -1.731 -13.036 1.00 1.00 N +ATOM 554 CA SER A 38 -0.379 -3.076 -13.546 1.00 1.00 C +ATOM 555 C SER A 38 -0.297 -4.069 -12.383 1.00 1.00 C +ATOM 556 O SER A 38 -0.351 -3.674 -11.220 1.00 1.00 O +ATOM 557 CB SER A 38 0.891 -3.150 -14.396 1.00 1.00 C +ATOM 558 OG SER A 38 1.310 -4.494 -14.615 1.00 1.00 O +ATOM 559 H SER A 38 0.016 -1.035 -13.419 1.00 1.00 H +ATOM 560 HA SER A 38 -1.246 -3.288 -14.169 1.00 1.00 H +ATOM 561 HB2 SER A 38 0.713 -2.664 -15.355 1.00 1.00 H +ATOM 562 HB3 SER A 38 1.690 -2.596 -13.904 1.00 1.00 H +ATOM 563 HG SER A 38 0.696 -4.942 -15.264 1.00 1.00 H +ATOM 564 N GLU A 39 -0.168 -5.338 -12.740 1.00 1.00 N +ATOM 565 CA GLU A 39 -0.079 -6.390 -11.741 1.00 1.00 C +ATOM 566 C GLU A 39 1.218 -7.184 -11.921 1.00 1.00 C +ATOM 567 O GLU A 39 2.053 -7.229 -11.020 1.00 1.00 O +ATOM 568 CB GLU A 39 -1.299 -7.312 -11.805 1.00 1.00 C +ATOM 569 CG GLU A 39 -2.515 -6.656 -11.149 1.00 1.00 C +ATOM 570 CD GLU A 39 -3.797 -7.418 -11.486 1.00 1.00 C +ATOM 571 OE1 GLU A 39 -4.347 -7.152 -12.577 1.00 1.00 O +ATOM 572 OE2 GLU A 39 -4.200 -8.251 -10.646 1.00 1.00 O +ATOM 573 H GLU A 39 -0.125 -5.651 -13.690 1.00 1.00 H +ATOM 574 HA GLU A 39 -0.068 -5.878 -10.780 1.00 1.00 H +ATOM 575 HB2 GLU A 39 -1.526 -7.550 -12.844 1.00 1.00 H +ATOM 576 HB3 GLU A 39 -1.074 -8.254 -11.304 1.00 1.00 H +ATOM 577 HG2 GLU A 39 -2.378 -6.627 -10.068 1.00 1.00 H +ATOM 578 HG3 GLU A 39 -2.602 -5.622 -11.486 1.00 1.00 H +ATOM 579 N SER A 40 1.344 -7.790 -13.094 1.00 1.00 N +ATOM 580 CA SER A 40 2.525 -8.580 -13.403 1.00 1.00 C +ATOM 581 C SER A 40 3.707 -7.657 -13.704 1.00 1.00 C +ATOM 582 O SER A 40 4.495 -7.928 -14.608 1.00 1.00 O +ATOM 583 CB SER A 40 2.266 -9.515 -14.586 1.00 1.00 C +ATOM 584 OG SER A 40 2.135 -8.802 -15.812 1.00 1.00 O +ATOM 585 H SER A 40 0.661 -7.749 -13.821 1.00 1.00 H +ATOM 586 HA SER A 40 2.719 -9.171 -12.508 1.00 1.00 H +ATOM 587 HB2 SER A 40 3.085 -10.229 -14.669 1.00 1.00 H +ATOM 588 HB3 SER A 40 1.359 -10.091 -14.401 1.00 1.00 H +ATOM 589 HG SER A 40 3.018 -8.417 -16.080 1.00 1.00 H +ATOM 590 N SER A 41 3.794 -6.587 -12.928 1.00 1.00 N +ATOM 591 CA SER A 41 4.868 -5.622 -13.099 1.00 1.00 C +ATOM 592 C SER A 41 5.495 -5.291 -11.744 1.00 1.00 C +ATOM 593 O SER A 41 4.833 -5.378 -10.712 1.00 1.00 O +ATOM 594 CB SER A 41 4.359 -4.347 -13.775 1.00 1.00 C +ATOM 595 OG SER A 41 3.125 -3.903 -13.218 1.00 1.00 O +ATOM 596 H SER A 41 3.148 -6.374 -12.194 1.00 1.00 H +ATOM 597 HA SER A 41 5.593 -6.113 -13.749 1.00 1.00 H +ATOM 598 HB2 SER A 41 5.107 -3.560 -13.673 1.00 1.00 H +ATOM 599 HB3 SER A 41 4.231 -4.528 -14.842 1.00 1.00 H +ATOM 600 HG SER A 41 2.919 -4.420 -12.386 1.00 1.00 H +ATOM 601 N PRO A 42 6.798 -4.907 -11.793 1.00 1.00 N +ATOM 602 CA PRO A 42 7.523 -4.562 -10.582 1.00 1.00 C +ATOM 603 C PRO A 42 7.101 -3.185 -10.064 1.00 1.00 C +ATOM 604 O PRO A 42 7.674 -2.677 -9.101 1.00 1.00 O +ATOM 605 CB PRO A 42 8.991 -4.626 -10.972 1.00 1.00 C +ATOM 606 CG PRO A 42 9.025 -4.548 -12.489 1.00 1.00 C +ATOM 607 CD PRO A 42 7.614 -4.791 -12.999 1.00 1.00 C +ATOM 608 HA PRO A 42 7.305 -5.208 -9.851 1.00 1.00 H +ATOM 609 HB2 PRO A 42 9.550 -3.803 -10.525 1.00 1.00 H +ATOM 610 HB3 PRO A 42 9.450 -5.549 -10.617 1.00 1.00 H +ATOM 611 HG2 PRO A 42 9.386 -3.571 -12.812 1.00 1.00 H +ATOM 612 HG3 PRO A 42 9.711 -5.291 -12.894 1.00 1.00 H +ATOM 613 HD2 PRO A 42 7.274 -3.971 -13.630 1.00 1.00 H +ATOM 614 HD3 PRO A 42 7.562 -5.698 -13.601 1.00 1.00 H +ATOM 615 N GLY A 43 6.103 -2.620 -10.727 1.00 1.00 N +ATOM 616 CA GLY A 43 5.597 -1.312 -10.345 1.00 1.00 C +ATOM 617 C GLY A 43 5.286 -0.463 -11.579 1.00 1.00 C +ATOM 618 O GLY A 43 5.982 0.512 -11.858 1.00 1.00 O +ATOM 619 H GLY A 43 5.642 -3.039 -11.508 1.00 1.00 H +ATOM 620 HA2 GLY A 43 4.697 -1.429 -9.742 1.00 1.00 H +ATOM 621 HA3 GLY A 43 6.333 -0.801 -9.724 1.00 1.00 H +ATOM 622 N GLN A 44 4.238 -0.865 -12.285 1.00 1.00 N +ATOM 623 CA GLN A 44 3.827 -0.152 -13.482 1.00 1.00 C +ATOM 624 C GLN A 44 2.582 0.689 -13.197 1.00 1.00 C +ATOM 625 O GLN A 44 1.727 0.292 -12.407 1.00 1.00 O +ATOM 626 CB GLN A 44 3.579 -1.124 -14.639 1.00 1.00 C +ATOM 627 CG GLN A 44 4.552 -0.863 -15.791 1.00 1.00 C +ATOM 628 CD GLN A 44 4.565 0.619 -16.174 1.00 1.00 C +ATOM 629 OE1 GLN A 44 3.547 1.216 -16.480 1.00 1.00 O +ATOM 630 NE2 GLN A 44 5.773 1.175 -16.136 1.00 1.00 N +ATOM 631 H GLN A 44 3.678 -1.659 -12.051 1.00 1.00 H +ATOM 632 HA GLN A 44 4.664 0.498 -13.736 1.00 1.00 H +ATOM 633 HB2 GLN A 44 3.692 -2.149 -14.288 1.00 1.00 H +ATOM 634 HB3 GLN A 44 2.553 -1.018 -14.993 1.00 1.00 H +ATOM 635 HG2 GLN A 44 5.555 -1.177 -15.504 1.00 1.00 H +ATOM 636 HG3 GLN A 44 4.265 -1.463 -16.655 1.00 1.00 H +ATOM 637 HE21 GLN A 44 6.568 0.627 -15.875 1.00 1.00 H +ATOM 638 HE22 GLN A 44 5.885 2.141 -16.370 1.00 1.00 H +ATOM 639 N ARG A 45 2.518 1.836 -13.857 1.00 1.00 N +ATOM 640 CA ARG A 45 1.393 2.738 -13.685 1.00 1.00 C +ATOM 641 C ARG A 45 0.810 3.128 -15.045 1.00 1.00 C +ATOM 642 O ARG A 45 1.544 3.252 -16.025 1.00 1.00 O +ATOM 643 CB ARG A 45 1.811 4.005 -12.935 1.00 1.00 C +ATOM 644 CG ARG A 45 2.021 3.717 -11.446 1.00 1.00 C +ATOM 645 CD ARG A 45 3.408 3.123 -11.194 1.00 1.00 C +ATOM 646 NE ARG A 45 3.684 3.085 -9.740 1.00 1.00 N +ATOM 647 CZ ARG A 45 4.462 3.967 -9.099 1.00 1.00 C +ATOM 648 NH1 ARG A 45 5.047 4.963 -9.779 1.00 1.00 N +ATOM 649 NH2 ARG A 45 4.657 3.853 -7.778 1.00 1.00 N +ATOM 650 H ARG A 45 3.217 2.152 -14.499 1.00 1.00 H +ATOM 651 HA ARG A 45 0.670 2.172 -13.096 1.00 1.00 H +ATOM 652 HB2 ARG A 45 2.730 4.399 -13.365 1.00 1.00 H +ATOM 653 HB3 ARG A 45 1.047 4.772 -13.056 1.00 1.00 H +ATOM 654 HG2 ARG A 45 1.904 4.637 -10.875 1.00 1.00 H +ATOM 655 HG3 ARG A 45 1.255 3.023 -11.095 1.00 1.00 H +ATOM 656 HD2 ARG A 45 3.465 2.119 -11.609 1.00 1.00 H +ATOM 657 HD3 ARG A 45 4.166 3.722 -11.700 1.00 1.00 H +ATOM 658 HE ARG A 45 3.263 2.354 -9.202 1.00 1.00 H +ATOM 659 HH11 ARG A 45 4.902 5.047 -10.766 1.00 1.00 H +ATOM 660 HH12 ARG A 45 5.629 5.621 -9.300 1.00 1.00 H +ATOM 661 HH21 ARG A 45 4.221 3.110 -7.270 1.00 1.00 H +ATOM 662 HH22 ARG A 45 5.238 4.512 -7.299 1.00 1.00 H +ATOM 663 N SER A 46 -0.501 3.310 -15.061 1.00 1.00 N +ATOM 664 CA SER A 46 -1.191 3.683 -16.286 1.00 1.00 C +ATOM 665 C SER A 46 -2.198 4.798 -16.000 1.00 1.00 C +ATOM 666 O SER A 46 -2.391 5.185 -14.850 1.00 1.00 O +ATOM 667 CB SER A 46 -1.895 2.478 -16.910 1.00 1.00 C +ATOM 668 OG SER A 46 -3.306 2.527 -16.723 1.00 1.00 O +ATOM 669 H SER A 46 -1.091 3.207 -14.261 1.00 1.00 H +ATOM 670 HA SER A 46 -0.409 4.037 -16.960 1.00 1.00 H +ATOM 671 HB2 SER A 46 -1.672 2.441 -17.977 1.00 1.00 H +ATOM 672 HB3 SER A 46 -1.502 1.560 -16.472 1.00 1.00 H +ATOM 673 HG SER A 46 -3.755 2.814 -17.569 1.00 1.00 H +ATOM 674 N ILE A 47 -2.813 5.285 -17.069 1.00 1.00 N +ATOM 675 CA ILE A 47 -3.797 6.347 -16.947 1.00 1.00 C +ATOM 676 C ILE A 47 -5.000 6.026 -17.834 1.00 1.00 C +ATOM 677 O ILE A 47 -4.841 5.725 -19.017 1.00 1.00 O +ATOM 678 CB ILE A 47 -3.157 7.705 -17.247 1.00 1.00 C +ATOM 679 CG1 ILE A 47 -3.428 8.699 -16.115 1.00 1.00 C +ATOM 680 CG2 ILE A 47 -3.618 8.240 -18.603 1.00 1.00 C +ATOM 681 CD1 ILE A 47 -2.125 9.129 -15.439 1.00 1.00 C +ATOM 682 H ILE A 47 -2.651 4.964 -18.002 1.00 1.00 H +ATOM 683 HA ILE A 47 -4.128 6.369 -15.909 1.00 1.00 H +ATOM 684 HB ILE A 47 -2.078 7.568 -17.303 1.00 1.00 H +ATOM 685 HG12 ILE A 47 -3.942 9.574 -16.512 1.00 1.00 H +ATOM 686 HG13 ILE A 47 -4.091 8.245 -15.379 1.00 1.00 H +ATOM 687 HG21 ILE A 47 -3.468 7.477 -19.365 1.00 1.00 H +ATOM 688 HG22 ILE A 47 -4.675 8.500 -18.551 1.00 1.00 H +ATOM 689 HG23 ILE A 47 -3.038 9.128 -18.859 1.00 1.00 H +ATOM 690 HD11 ILE A 47 -1.532 8.246 -15.198 1.00 1.00 H +ATOM 691 HD12 ILE A 47 -1.561 9.773 -16.113 1.00 1.00 H +ATOM 692 HD13 ILE A 47 -2.353 9.674 -14.523 1.00 1.00 H +ATOM 693 N SER A 48 -6.177 6.100 -17.231 1.00 1.00 N +ATOM 694 CA SER A 48 -7.407 5.821 -17.952 1.00 1.00 C +ATOM 695 C SER A 48 -8.259 7.088 -18.043 1.00 1.00 C +ATOM 696 O SER A 48 -9.111 7.330 -17.189 1.00 1.00 O +ATOM 697 CB SER A 48 -8.198 4.697 -17.278 1.00 1.00 C +ATOM 698 OG SER A 48 -8.806 5.127 -16.063 1.00 1.00 O +ATOM 699 H SER A 48 -6.297 6.344 -16.269 1.00 1.00 H +ATOM 700 HA SER A 48 -7.094 5.499 -18.944 1.00 1.00 H +ATOM 701 HB2 SER A 48 -8.967 4.335 -17.961 1.00 1.00 H +ATOM 702 HB3 SER A 48 -7.533 3.858 -17.074 1.00 1.00 H +ATOM 703 HG SER A 48 -8.107 5.273 -15.364 1.00 1.00 H +ATOM 704 N LEU A 49 -8.001 7.863 -19.085 1.00 1.00 N +ATOM 705 CA LEU A 49 -8.734 9.101 -19.299 1.00 1.00 C +ATOM 706 C LEU A 49 -9.895 8.841 -20.261 1.00 1.00 C +ATOM 707 O LEU A 49 -9.853 7.895 -21.047 1.00 1.00 O +ATOM 708 CB LEU A 49 -7.787 10.210 -19.761 1.00 1.00 C +ATOM 709 CG LEU A 49 -7.373 10.168 -21.233 1.00 1.00 C +ATOM 710 CD1 LEU A 49 -6.492 8.950 -21.520 1.00 1.00 C +ATOM 711 CD2 LEU A 49 -8.597 10.219 -22.150 1.00 1.00 C +ATOM 712 H LEU A 49 -7.306 7.659 -19.775 1.00 1.00 H +ATOM 713 HA LEU A 49 -9.144 9.407 -18.336 1.00 1.00 H +ATOM 714 HB2 LEU A 49 -8.265 11.172 -19.566 1.00 1.00 H +ATOM 715 HB3 LEU A 49 -6.887 10.171 -19.150 1.00 1.00 H +ATOM 716 HG LEU A 49 -6.776 11.055 -21.446 1.00 1.00 H +ATOM 717 HD11 LEU A 49 -5.707 8.884 -20.766 1.00 1.00 H +ATOM 718 HD12 LEU A 49 -7.101 8.047 -21.491 1.00 1.00 H +ATOM 719 HD13 LEU A 49 -6.040 9.053 -22.507 1.00 1.00 H +ATOM 720 HD21 LEU A 49 -9.424 10.698 -21.625 1.00 1.00 H +ATOM 721 HD22 LEU A 49 -8.356 10.788 -23.046 1.00 1.00 H +ATOM 722 HD23 LEU A 49 -8.884 9.204 -22.428 1.00 1.00 H +ATOM 723 N ARG A 50 -10.902 9.695 -20.166 1.00 1.00 N +ATOM 724 CA ARG A 50 -12.072 9.570 -21.019 1.00 1.00 C +ATOM 725 C ARG A 50 -12.652 10.951 -21.332 1.00 1.00 C +ATOM 726 O ARG A 50 -12.333 11.929 -20.655 1.00 1.00 O +ATOM 727 CB ARG A 50 -13.149 8.712 -20.352 1.00 1.00 C +ATOM 728 CG ARG A 50 -14.248 9.587 -19.744 1.00 1.00 C +ATOM 729 CD ARG A 50 -15.433 9.725 -20.702 1.00 1.00 C +ATOM 730 NE ARG A 50 -16.513 8.793 -20.309 1.00 1.00 N +ATOM 731 CZ ARG A 50 -17.666 9.176 -19.741 1.00 1.00 C +ATOM 732 NH1 ARG A 50 -17.892 10.473 -19.497 1.00 1.00 N +ATOM 733 NH2 ARG A 50 -18.589 8.260 -19.418 1.00 1.00 N +ATOM 734 H ARG A 50 -10.928 10.461 -19.524 1.00 1.00 H +ATOM 735 HA ARG A 50 -11.707 9.084 -21.923 1.00 1.00 H +ATOM 736 HB2 ARG A 50 -13.585 8.033 -21.086 1.00 1.00 H +ATOM 737 HB3 ARG A 50 -12.699 8.095 -19.575 1.00 1.00 H +ATOM 738 HG2 ARG A 50 -14.586 9.151 -18.804 1.00 1.00 H +ATOM 739 HG3 ARG A 50 -13.846 10.573 -19.513 1.00 1.00 H +ATOM 740 HD2 ARG A 50 -15.802 10.750 -20.691 1.00 1.00 H +ATOM 741 HD3 ARG A 50 -15.112 9.514 -21.722 1.00 1.00 H +ATOM 742 HE ARG A 50 -16.375 7.818 -20.478 1.00 1.00 H +ATOM 743 HH11 ARG A 50 -17.204 11.156 -19.738 1.00 1.00 H +ATOM 744 HH12 ARG A 50 -18.752 10.759 -19.073 1.00 1.00 H +ATOM 745 HH21 ARG A 50 -18.418 7.292 -19.601 1.00 1.00 H +ATOM 746 HH22 ARG A 50 -19.448 8.546 -18.994 1.00 1.00 H +ATOM 747 N TYR A 51 -13.490 10.988 -22.358 1.00 1.00 N +ATOM 748 CA TYR A 51 -14.116 12.233 -22.767 1.00 1.00 C +ATOM 749 C TYR A 51 -15.586 12.015 -23.127 1.00 1.00 C +ATOM 750 O TYR A 51 -16.475 12.347 -22.345 1.00 1.00 O +ATOM 751 CB TYR A 51 -13.361 12.692 -24.018 1.00 1.00 C +ATOM 752 CG TYR A 51 -12.928 14.159 -23.979 1.00 1.00 C +ATOM 753 CD1 TYR A 51 -11.869 14.546 -23.183 1.00 1.00 C +ATOM 754 CD2 TYR A 51 -13.597 15.096 -24.741 1.00 1.00 C +ATOM 755 CE1 TYR A 51 -11.461 15.926 -23.146 1.00 1.00 C +ATOM 756 CE2 TYR A 51 -13.189 16.476 -24.706 1.00 1.00 C +ATOM 757 CZ TYR A 51 -12.142 16.824 -23.909 1.00 1.00 C +ATOM 758 OH TYR A 51 -11.757 18.127 -23.875 1.00 1.00 O +ATOM 759 H TYR A 51 -13.742 10.188 -22.901 1.00 1.00 H +ATOM 760 HA TYR A 51 -14.052 12.932 -21.934 1.00 1.00 H +ATOM 761 HB2 TYR A 51 -12.477 12.066 -24.147 1.00 1.00 H +ATOM 762 HB3 TYR A 51 -13.993 12.532 -24.890 1.00 1.00 H +ATOM 763 HD1 TYR A 51 -11.342 13.807 -22.580 1.00 1.00 H +ATOM 764 HD2 TYR A 51 -14.432 14.790 -25.371 1.00 1.00 H +ATOM 765 HE1 TYR A 51 -10.628 16.245 -22.520 1.00 1.00 H +ATOM 766 HE2 TYR A 51 -13.707 17.226 -25.303 1.00 1.00 H +ATOM 767 HH TYR A 51 -11.369 18.393 -24.757 1.00 1.00 H +ATOM 768 N GLU A 52 -15.798 11.458 -24.310 1.00 1.00 N +ATOM 769 CA GLU A 52 -17.146 11.192 -24.783 1.00 1.00 C +ATOM 770 C GLU A 52 -17.696 9.923 -24.129 1.00 1.00 C +ATOM 771 O GLU A 52 -17.784 9.839 -22.905 1.00 1.00 O +ATOM 772 CB GLU A 52 -17.180 11.082 -26.308 1.00 1.00 C +ATOM 773 CG GLU A 52 -18.622 11.067 -26.824 1.00 1.00 C +ATOM 774 CD GLU A 52 -18.793 10.032 -27.937 1.00 1.00 C +ATOM 775 OE1 GLU A 52 -17.805 9.819 -28.672 1.00 1.00 O +ATOM 776 OE2 GLU A 52 -19.911 9.478 -28.030 1.00 1.00 O +ATOM 777 H GLU A 52 -15.068 11.192 -24.941 1.00 1.00 H +ATOM 778 HA GLU A 52 -17.737 12.055 -24.472 1.00 1.00 H +ATOM 779 HB2 GLU A 52 -16.642 11.920 -26.748 1.00 1.00 H +ATOM 780 HB3 GLU A 52 -16.669 10.174 -26.623 1.00 1.00 H +ATOM 781 HG2 GLU A 52 -19.303 10.841 -26.003 1.00 1.00 H +ATOM 782 HG3 GLU A 52 -18.889 12.056 -27.197 1.00 1.00 H +ATOM 783 N GLY A 53 -18.051 8.968 -24.974 1.00 1.00 N +ATOM 784 CA GLY A 53 -18.592 7.706 -24.493 1.00 1.00 C +ATOM 785 C GLY A 53 -17.540 6.597 -24.564 1.00 1.00 C +ATOM 786 O GLY A 53 -17.876 5.428 -24.748 1.00 1.00 O +ATOM 787 H GLY A 53 -17.978 9.043 -25.968 1.00 1.00 H +ATOM 788 HA2 GLY A 53 -18.936 7.822 -23.466 1.00 1.00 H +ATOM 789 HA3 GLY A 53 -19.460 7.427 -25.091 1.00 1.00 H +ATOM 790 N ARG A 54 -16.288 7.003 -24.411 1.00 1.00 N +ATOM 791 CA ARG A 54 -15.184 6.058 -24.455 1.00 1.00 C +ATOM 792 C ARG A 54 -14.056 6.518 -23.530 1.00 1.00 C +ATOM 793 O ARG A 54 -13.942 7.705 -23.227 1.00 1.00 O +ATOM 794 CB ARG A 54 -14.640 5.912 -25.879 1.00 1.00 C +ATOM 795 CG ARG A 54 -14.170 7.262 -26.427 1.00 1.00 C +ATOM 796 CD ARG A 54 -13.344 7.076 -27.701 1.00 1.00 C +ATOM 797 NE ARG A 54 -14.241 6.901 -28.865 1.00 1.00 N +ATOM 798 CZ ARG A 54 -15.012 7.871 -29.371 1.00 1.00 C +ATOM 799 NH1 ARG A 54 -15.002 9.092 -28.819 1.00 1.00 N +ATOM 800 NH2 ARG A 54 -15.796 7.623 -30.431 1.00 1.00 N +ATOM 801 H ARG A 54 -16.023 7.956 -24.261 1.00 1.00 H +ATOM 802 HA ARG A 54 -15.611 5.116 -24.115 1.00 1.00 H +ATOM 803 HB2 ARG A 54 -13.811 5.204 -25.883 1.00 1.00 H +ATOM 804 HB3 ARG A 54 -15.415 5.502 -26.527 1.00 1.00 H +ATOM 805 HG2 ARG A 54 -15.032 7.893 -26.637 1.00 1.00 H +ATOM 806 HG3 ARG A 54 -13.573 7.775 -25.675 1.00 1.00 H +ATOM 807 HD2 ARG A 54 -12.700 7.941 -27.855 1.00 1.00 H +ATOM 808 HD3 ARG A 54 -12.693 6.208 -27.600 1.00 1.00 H +ATOM 809 HE ARG A 54 -14.273 6.001 -29.301 1.00 1.00 H +ATOM 810 HH11 ARG A 54 -14.417 9.280 -28.030 1.00 1.00 H +ATOM 811 HH12 ARG A 54 -15.579 9.818 -29.197 1.00 1.00 H +ATOM 812 HH21 ARG A 54 -15.804 6.711 -30.842 1.00 1.00 H +ATOM 813 HH22 ARG A 54 -16.371 8.346 -30.807 1.00 1.00 H +ATOM 814 N VAL A 55 -13.248 5.554 -23.111 1.00 1.00 N +ATOM 815 CA VAL A 55 -12.133 5.845 -22.226 1.00 1.00 C +ATOM 816 C VAL A 55 -10.839 5.332 -22.860 1.00 1.00 C +ATOM 817 O VAL A 55 -10.798 4.220 -23.383 1.00 1.00 O +ATOM 818 CB VAL A 55 -12.396 5.253 -20.839 1.00 1.00 C +ATOM 819 CG1 VAL A 55 -11.282 5.633 -19.862 1.00 1.00 C +ATOM 820 CG2 VAL A 55 -13.764 5.685 -20.308 1.00 1.00 C +ATOM 821 H VAL A 55 -13.349 4.592 -23.362 1.00 1.00 H +ATOM 822 HA VAL A 55 -12.068 6.928 -22.122 1.00 1.00 H +ATOM 823 HB VAL A 55 -12.401 4.167 -20.935 1.00 1.00 H +ATOM 824 HG11 VAL A 55 -10.377 5.878 -20.418 1.00 1.00 H +ATOM 825 HG12 VAL A 55 -11.593 6.498 -19.275 1.00 1.00 H +ATOM 826 HG13 VAL A 55 -11.082 4.794 -19.194 1.00 1.00 H +ATOM 827 HG21 VAL A 55 -14.317 6.189 -21.100 1.00 1.00 H +ATOM 828 HG22 VAL A 55 -14.318 4.807 -19.978 1.00 1.00 H +ATOM 829 HG23 VAL A 55 -13.628 6.367 -19.470 1.00 1.00 H +ATOM 830 N TYR A 56 -9.813 6.168 -22.792 1.00 1.00 N +ATOM 831 CA TYR A 56 -8.520 5.814 -23.355 1.00 1.00 C +ATOM 832 C TYR A 56 -7.572 5.303 -22.267 1.00 1.00 C +ATOM 833 O TYR A 56 -7.483 5.891 -21.190 1.00 1.00 O +ATOM 834 CB TYR A 56 -7.950 7.103 -23.948 1.00 1.00 C +ATOM 835 CG TYR A 56 -8.873 7.784 -24.960 1.00 1.00 C +ATOM 836 CD1 TYR A 56 -10.018 8.424 -24.528 1.00 1.00 C +ATOM 837 CD2 TYR A 56 -8.562 7.758 -26.304 1.00 1.00 C +ATOM 838 CE1 TYR A 56 -10.887 9.065 -25.481 1.00 1.00 C +ATOM 839 CE2 TYR A 56 -9.432 8.399 -27.257 1.00 1.00 C +ATOM 840 CZ TYR A 56 -10.550 9.021 -26.798 1.00 1.00 C +ATOM 841 OH TYR A 56 -11.371 9.626 -27.697 1.00 1.00 O +ATOM 842 H TYR A 56 -9.855 7.072 -22.365 1.00 1.00 H +ATOM 843 HA TYR A 56 -8.677 5.024 -24.088 1.00 1.00 H +ATOM 844 HB2 TYR A 56 -7.738 7.801 -23.138 1.00 1.00 H +ATOM 845 HB3 TYR A 56 -6.999 6.879 -24.431 1.00 1.00 H +ATOM 846 HD1 TYR A 56 -10.263 8.445 -23.466 1.00 1.00 H +ATOM 847 HD2 TYR A 56 -7.660 7.252 -26.645 1.00 1.00 H +ATOM 848 HE1 TYR A 56 -11.793 9.574 -25.153 1.00 1.00 H +ATOM 849 HE2 TYR A 56 -9.199 8.386 -28.321 1.00 1.00 H +ATOM 850 HH TYR A 56 -11.153 10.600 -27.758 1.00 1.00 H +ATOM 851 N HIS A 57 -6.887 4.215 -22.587 1.00 1.00 N +ATOM 852 CA HIS A 57 -5.948 3.619 -21.651 1.00 1.00 C +ATOM 853 C HIS A 57 -4.521 3.792 -22.175 1.00 1.00 C +ATOM 854 O HIS A 57 -4.141 3.168 -23.165 1.00 1.00 O +ATOM 855 CB HIS A 57 -6.308 2.158 -21.379 1.00 1.00 C +ATOM 856 CG HIS A 57 -7.790 1.904 -21.244 1.00 1.00 C +ATOM 857 ND1 HIS A 57 -8.456 1.968 -20.032 1.00 1.00 N +ATOM 858 CD2 HIS A 57 -8.729 1.585 -22.181 1.00 1.00 C +ATOM 859 CE1 HIS A 57 -9.735 1.700 -20.242 1.00 1.00 C +ATOM 860 NE2 HIS A 57 -9.904 1.462 -21.574 1.00 1.00 N +ATOM 861 H HIS A 57 -6.965 3.744 -23.465 1.00 1.00 H +ATOM 862 HA HIS A 57 -6.052 4.167 -20.714 1.00 1.00 H +ATOM 863 HB2 HIS A 57 -5.916 1.541 -22.187 1.00 1.00 H +ATOM 864 HB3 HIS A 57 -5.810 1.837 -20.462 1.00 1.00 H +ATOM 865 HD1 HIS A 57 -8.040 2.183 -19.147 1.00 1.00 H +ATOM 866 HD2 HIS A 57 -8.546 1.456 -23.247 1.00 1.00 H +ATOM 867 HE1 HIS A 57 -10.517 1.672 -19.484 1.00 1.00 H +ATOM 868 N TYR A 58 -3.772 4.639 -21.488 1.00 1.00 N +ATOM 869 CA TYR A 58 -2.394 4.902 -21.873 1.00 1.00 C +ATOM 870 C TYR A 58 -1.450 4.715 -20.684 1.00 1.00 C +ATOM 871 O TYR A 58 -1.551 5.427 -19.686 1.00 1.00 O +ATOM 872 CB TYR A 58 -2.353 6.365 -22.317 1.00 1.00 C +ATOM 873 CG TYR A 58 -2.014 6.555 -23.798 1.00 1.00 C +ATOM 874 CD1 TYR A 58 -2.752 5.901 -24.763 1.00 1.00 C +ATOM 875 CD2 TYR A 58 -0.974 7.383 -24.167 1.00 1.00 C +ATOM 876 CE1 TYR A 58 -2.434 6.079 -26.156 1.00 1.00 C +ATOM 877 CE2 TYR A 58 -0.657 7.561 -25.560 1.00 1.00 C +ATOM 878 CZ TYR A 58 -1.402 6.901 -26.486 1.00 1.00 C +ATOM 879 OH TYR A 58 -1.102 7.071 -27.801 1.00 1.00 O +ATOM 880 H TYR A 58 -4.088 5.143 -20.685 1.00 1.00 H +ATOM 881 HA TYR A 58 -2.124 4.195 -22.657 1.00 1.00 H +ATOM 882 HB2 TYR A 58 -3.320 6.824 -22.114 1.00 1.00 H +ATOM 883 HB3 TYR A 58 -1.616 6.896 -21.716 1.00 1.00 H +ATOM 884 HD1 TYR A 58 -3.574 5.246 -24.471 1.00 1.00 H +ATOM 885 HD2 TYR A 58 -0.392 7.901 -23.405 1.00 1.00 H +ATOM 886 HE1 TYR A 58 -3.009 5.568 -26.929 1.00 1.00 H +ATOM 887 HE2 TYR A 58 0.163 8.212 -25.865 1.00 1.00 H +ATOM 888 HH TYR A 58 -0.986 6.181 -28.243 1.00 1.00 H +ATOM 889 N ARG A 59 -0.549 3.753 -20.830 1.00 1.00 N +ATOM 890 CA ARG A 59 0.413 3.464 -19.782 1.00 1.00 C +ATOM 891 C ARG A 59 1.306 4.681 -19.529 1.00 1.00 C +ATOM 892 O ARG A 59 1.463 5.532 -20.404 1.00 1.00 O +ATOM 893 CB ARG A 59 1.291 2.267 -20.154 1.00 1.00 C +ATOM 894 CG ARG A 59 2.103 2.555 -21.418 1.00 1.00 C +ATOM 895 CD ARG A 59 3.559 2.114 -21.247 1.00 1.00 C +ATOM 896 NE ARG A 59 3.992 1.328 -22.424 1.00 1.00 N +ATOM 897 CZ ARG A 59 5.039 0.492 -22.425 1.00 1.00 C +ATOM 898 NH1 ARG A 59 5.767 0.329 -21.313 1.00 1.00 N +ATOM 899 NH2 ARG A 59 5.357 -0.180 -23.539 1.00 1.00 N +ATOM 900 H ARG A 59 -0.472 3.178 -21.645 1.00 1.00 H +ATOM 901 HA ARG A 59 -0.190 3.232 -18.905 1.00 1.00 H +ATOM 902 HB2 ARG A 59 1.964 2.034 -19.329 1.00 1.00 H +ATOM 903 HB3 ARG A 59 0.666 1.388 -20.312 1.00 1.00 H +ATOM 904 HG2 ARG A 59 1.659 2.035 -22.268 1.00 1.00 H +ATOM 905 HG3 ARG A 59 2.066 3.621 -21.643 1.00 1.00 H +ATOM 906 HD2 ARG A 59 4.200 2.988 -21.127 1.00 1.00 H +ATOM 907 HD3 ARG A 59 3.661 1.516 -20.341 1.00 1.00 H +ATOM 908 HE ARG A 59 3.469 1.427 -23.271 1.00 1.00 H +ATOM 909 HH11 ARG A 59 5.528 0.831 -20.482 1.00 1.00 H +ATOM 910 HH12 ARG A 59 6.548 -0.295 -21.314 1.00 1.00 H +ATOM 911 HH21 ARG A 59 4.814 -0.058 -24.371 1.00 1.00 H +ATOM 912 HH22 ARG A 59 6.139 -0.804 -23.541 1.00 1.00 H +ATOM 913 N ILE A 60 1.865 4.727 -18.329 1.00 1.00 N +ATOM 914 CA ILE A 60 2.736 5.825 -17.950 1.00 1.00 C +ATOM 915 C ILE A 60 4.012 5.773 -18.793 1.00 1.00 C +ATOM 916 O ILE A 60 4.683 4.744 -18.848 1.00 1.00 O +ATOM 917 CB ILE A 60 2.994 5.810 -16.442 1.00 1.00 C +ATOM 918 CG1 ILE A 60 1.689 5.964 -15.661 1.00 1.00 C +ATOM 919 CG2 ILE A 60 4.025 6.871 -16.051 1.00 1.00 C +ATOM 920 CD1 ILE A 60 1.192 7.411 -15.701 1.00 1.00 C +ATOM 921 H ILE A 60 1.731 4.031 -17.623 1.00 1.00 H +ATOM 922 HA ILE A 60 2.211 6.754 -18.177 1.00 1.00 H +ATOM 923 HB ILE A 60 3.415 4.840 -16.178 1.00 1.00 H +ATOM 924 HG12 ILE A 60 0.929 5.303 -16.080 1.00 1.00 H +ATOM 925 HG13 ILE A 60 1.842 5.657 -14.627 1.00 1.00 H +ATOM 926 HG21 ILE A 60 4.527 7.237 -16.946 1.00 1.00 H +ATOM 927 HG22 ILE A 60 3.522 7.700 -15.552 1.00 1.00 H +ATOM 928 HG23 ILE A 60 4.760 6.432 -15.377 1.00 1.00 H +ATOM 929 HD11 ILE A 60 1.726 7.956 -16.480 1.00 1.00 H +ATOM 930 HD12 ILE A 60 0.123 7.422 -15.918 1.00 1.00 H +ATOM 931 HD13 ILE A 60 1.373 7.885 -14.737 1.00 1.00 H +ATOM 932 N ASN A 61 4.309 6.898 -19.429 1.00 1.00 N +ATOM 933 CA ASN A 61 5.493 6.992 -20.267 1.00 1.00 C +ATOM 934 C ASN A 61 6.693 7.383 -19.403 1.00 1.00 C +ATOM 935 O ASN A 61 6.665 8.408 -18.722 1.00 1.00 O +ATOM 936 CB ASN A 61 5.319 8.060 -21.348 1.00 1.00 C +ATOM 937 CG ASN A 61 6.597 8.219 -22.173 1.00 1.00 C +ATOM 938 OD1 ASN A 61 7.520 7.426 -22.094 1.00 1.00 O +ATOM 939 ND2 ASN A 61 6.598 9.284 -22.970 1.00 1.00 N +ATOM 940 H ASN A 61 3.759 7.731 -19.381 1.00 1.00 H +ATOM 941 HA ASN A 61 5.607 6.005 -20.716 1.00 1.00 H +ATOM 942 HB2 ASN A 61 4.490 7.790 -22.001 1.00 1.00 H +ATOM 943 HB3 ASN A 61 5.061 9.014 -20.883 1.00 1.00 H +ATOM 944 HD21 ASN A 61 5.807 9.898 -22.987 1.00 1.00 H +ATOM 945 HD22 ASN A 61 7.391 9.475 -23.549 1.00 1.00 H +ATOM 946 N THR A 62 7.721 6.548 -19.461 1.00 1.00 N +ATOM 947 CA THR A 62 8.928 6.794 -18.691 1.00 1.00 C +ATOM 948 C THR A 62 10.101 7.102 -19.625 1.00 1.00 C +ATOM 949 O THR A 62 10.253 6.467 -20.668 1.00 1.00 O +ATOM 950 CB THR A 62 9.172 5.581 -17.790 1.00 1.00 C +ATOM 951 OG1 THR A 62 8.095 5.619 -16.858 1.00 1.00 O +ATOM 952 CG2 THR A 62 10.422 5.737 -16.923 1.00 1.00 C +ATOM 953 H THR A 62 7.735 5.716 -20.017 1.00 1.00 H +ATOM 954 HA THR A 62 8.770 7.678 -18.075 1.00 1.00 H +ATOM 955 HB THR A 62 9.217 4.664 -18.379 1.00 1.00 H +ATOM 956 HG1 THR A 62 8.300 6.265 -16.124 1.00 1.00 H +ATOM 957 HG21 THR A 62 11.279 5.965 -17.556 1.00 1.00 H +ATOM 958 HG22 THR A 62 10.271 6.549 -16.211 1.00 1.00 H +ATOM 959 HG23 THR A 62 10.606 4.809 -16.381 1.00 1.00 H +ATOM 960 N ALA A 63 10.901 8.078 -19.218 1.00 1.00 N +ATOM 961 CA ALA A 63 12.054 8.477 -20.004 1.00 1.00 C +ATOM 962 C ALA A 63 13.107 7.367 -19.958 1.00 1.00 C +ATOM 963 O ALA A 63 12.887 6.323 -19.347 1.00 1.00 O +ATOM 964 CB ALA A 63 12.590 9.811 -19.482 1.00 1.00 C +ATOM 965 H ALA A 63 10.770 8.589 -18.369 1.00 1.00 H +ATOM 966 HA ALA A 63 11.723 8.611 -21.034 1.00 1.00 H +ATOM 967 HB1 ALA A 63 11.756 10.470 -19.241 1.00 1.00 H +ATOM 968 HB2 ALA A 63 13.187 9.638 -18.586 1.00 1.00 H +ATOM 969 HB3 ALA A 63 13.212 10.277 -20.246 1.00 1.00 H +ATOM 970 N SER A 64 14.227 7.630 -20.615 1.00 1.00 N +ATOM 971 CA SER A 64 15.315 6.668 -20.657 1.00 1.00 C +ATOM 972 C SER A 64 16.180 6.801 -19.402 1.00 1.00 C +ATOM 973 O SER A 64 17.407 6.806 -19.488 1.00 1.00 O +ATOM 974 CB SER A 64 16.167 6.855 -21.913 1.00 1.00 C +ATOM 975 OG SER A 64 16.857 8.101 -21.910 1.00 1.00 O +ATOM 976 H SER A 64 14.398 8.483 -21.109 1.00 1.00 H +ATOM 977 HA SER A 64 14.832 5.690 -20.687 1.00 1.00 H +ATOM 978 HB2 SER A 64 16.888 6.040 -21.985 1.00 1.00 H +ATOM 979 HB3 SER A 64 15.530 6.794 -22.795 1.00 1.00 H +ATOM 980 HG SER A 64 16.985 8.418 -20.970 1.00 1.00 H +ATOM 981 N ASP A 65 15.507 6.906 -18.265 1.00 1.00 N +ATOM 982 CA ASP A 65 16.201 7.040 -16.995 1.00 1.00 C +ATOM 983 C ASP A 65 15.341 6.432 -15.885 1.00 1.00 C +ATOM 984 O ASP A 65 15.792 5.544 -15.162 1.00 1.00 O +ATOM 985 CB ASP A 65 16.446 8.510 -16.654 1.00 1.00 C +ATOM 986 CG ASP A 65 17.710 8.781 -15.836 1.00 1.00 C +ATOM 987 OD1 ASP A 65 18.727 8.113 -16.124 1.00 1.00 O +ATOM 988 OD2 ASP A 65 17.633 9.651 -14.942 1.00 1.00 O +ATOM 989 H ASP A 65 14.510 6.902 -18.204 1.00 1.00 H +ATOM 990 HA ASP A 65 17.145 6.511 -17.128 1.00 1.00 H +ATOM 991 HB2 ASP A 65 16.502 9.079 -17.582 1.00 1.00 H +ATOM 992 HB3 ASP A 65 15.586 8.887 -16.100 1.00 1.00 H +ATOM 993 N GLY A 66 14.120 6.934 -15.784 1.00 1.00 N +ATOM 994 CA GLY A 66 13.193 6.453 -14.773 1.00 1.00 C +ATOM 995 C GLY A 66 12.064 7.459 -14.541 1.00 1.00 C +ATOM 996 O GLY A 66 10.956 7.078 -14.167 1.00 1.00 O +ATOM 997 H GLY A 66 13.761 7.656 -16.376 1.00 1.00 H +ATOM 998 HA2 GLY A 66 12.774 5.497 -15.085 1.00 1.00 H +ATOM 999 HA3 GLY A 66 13.728 6.278 -13.840 1.00 1.00 H +ATOM 1000 N LYS A 67 12.385 8.724 -14.771 1.00 1.00 N +ATOM 1001 CA LYS A 67 11.410 9.787 -14.592 1.00 1.00 C +ATOM 1002 C LYS A 67 10.165 9.479 -15.425 1.00 1.00 C +ATOM 1003 O LYS A 67 10.234 8.726 -16.396 1.00 1.00 O +ATOM 1004 CB LYS A 67 12.038 11.147 -14.905 1.00 1.00 C +ATOM 1005 CG LYS A 67 13.500 11.192 -14.455 1.00 1.00 C +ATOM 1006 CD LYS A 67 13.892 12.601 -14.004 1.00 1.00 C +ATOM 1007 CE LYS A 67 15.296 12.610 -13.394 1.00 1.00 C +ATOM 1008 NZ LYS A 67 16.324 12.613 -14.459 1.00 1.00 N +ATOM 1009 H LYS A 67 13.288 9.025 -15.076 1.00 1.00 H +ATOM 1010 HA LYS A 67 11.129 9.797 -13.539 1.00 1.00 H +ATOM 1011 HB2 LYS A 67 11.978 11.343 -15.975 1.00 1.00 H +ATOM 1012 HB3 LYS A 67 11.477 11.935 -14.405 1.00 1.00 H +ATOM 1013 HG2 LYS A 67 13.656 10.488 -13.638 1.00 1.00 H +ATOM 1014 HG3 LYS A 67 14.146 10.876 -15.275 1.00 1.00 H +ATOM 1015 HD2 LYS A 67 13.856 13.282 -14.855 1.00 1.00 H +ATOM 1016 HD3 LYS A 67 13.171 12.965 -13.273 1.00 1.00 H +ATOM 1017 HE2 LYS A 67 15.417 13.489 -12.761 1.00 1.00 H +ATOM 1018 HE3 LYS A 67 15.427 11.737 -12.755 1.00 1.00 H +ATOM 1019 HZ1 LYS A 67 16.014 12.046 -15.222 1.00 1.00 H +ATOM 1020 HZ2 LYS A 67 16.471 13.549 -14.777 1.00 1.00 H +ATOM 1021 HZ3 LYS A 67 17.180 12.247 -14.095 1.00 1.00 H +ATOM 1022 N LEU A 68 9.056 10.076 -15.017 1.00 1.00 N +ATOM 1023 CA LEU A 68 7.797 9.874 -15.713 1.00 1.00 C +ATOM 1024 C LEU A 68 7.461 11.128 -16.522 1.00 1.00 C +ATOM 1025 O LEU A 68 7.216 12.191 -15.954 1.00 1.00 O +ATOM 1026 CB LEU A 68 6.699 9.466 -14.728 1.00 1.00 C +ATOM 1027 CG LEU A 68 6.874 8.102 -14.057 1.00 1.00 C +ATOM 1028 CD1 LEU A 68 7.992 8.144 -13.013 1.00 1.00 C +ATOM 1029 CD2 LEU A 68 5.553 7.609 -13.462 1.00 1.00 C +ATOM 1030 H LEU A 68 9.008 10.687 -14.226 1.00 1.00 H +ATOM 1031 HA LEU A 68 7.935 9.044 -16.404 1.00 1.00 H +ATOM 1032 HB2 LEU A 68 6.635 10.226 -13.950 1.00 1.00 H +ATOM 1033 HB3 LEU A 68 5.746 9.469 -15.256 1.00 1.00 H +ATOM 1034 HG LEU A 68 7.173 7.382 -14.819 1.00 1.00 H +ATOM 1035 HD11 LEU A 68 8.490 9.112 -13.055 1.00 1.00 H +ATOM 1036 HD12 LEU A 68 7.568 7.996 -12.020 1.00 1.00 H +ATOM 1037 HD13 LEU A 68 8.714 7.355 -13.222 1.00 1.00 H +ATOM 1038 HD21 LEU A 68 4.721 8.040 -14.020 1.00 1.00 H +ATOM 1039 HD22 LEU A 68 5.510 6.522 -13.525 1.00 1.00 H +ATOM 1040 HD23 LEU A 68 5.487 7.916 -12.418 1.00 1.00 H +ATOM 1041 N TYR A 69 7.459 10.962 -17.837 1.00 1.00 N +ATOM 1042 CA TYR A 69 7.157 12.067 -18.730 1.00 1.00 C +ATOM 1043 C TYR A 69 6.214 11.624 -19.851 1.00 1.00 C +ATOM 1044 O TYR A 69 6.478 10.636 -20.536 1.00 1.00 O +ATOM 1045 CB TYR A 69 8.492 12.493 -19.342 1.00 1.00 C +ATOM 1046 CG TYR A 69 8.808 11.818 -20.679 1.00 1.00 C +ATOM 1047 CD1 TYR A 69 9.288 10.524 -20.703 1.00 1.00 C +ATOM 1048 CD2 TYR A 69 8.612 12.504 -21.861 1.00 1.00 C +ATOM 1049 CE1 TYR A 69 9.585 9.890 -21.961 1.00 1.00 C +ATOM 1050 CE2 TYR A 69 8.909 11.869 -23.119 1.00 1.00 C +ATOM 1051 CZ TYR A 69 9.380 10.593 -23.107 1.00 1.00 C +ATOM 1052 OH TYR A 69 9.660 9.994 -24.294 1.00 1.00 O +ATOM 1053 H TYR A 69 7.659 10.095 -18.291 1.00 1.00 H +ATOM 1054 HA TYR A 69 6.671 12.849 -18.146 1.00 1.00 H +ATOM 1055 HB2 TYR A 69 8.489 13.573 -19.484 1.00 1.00 H +ATOM 1056 HB3 TYR A 69 9.292 12.267 -18.636 1.00 1.00 H +ATOM 1057 HD1 TYR A 69 9.442 9.983 -19.769 1.00 1.00 H +ATOM 1058 HD2 TYR A 69 8.233 13.525 -21.842 1.00 1.00 H +ATOM 1059 HE1 TYR A 69 9.964 8.869 -21.995 1.00 1.00 H +ATOM 1060 HE2 TYR A 69 8.759 12.399 -24.060 1.00 1.00 H +ATOM 1061 HH TYR A 69 8.819 9.868 -24.822 1.00 1.00 H +ATOM 1062 N VAL A 70 5.134 12.376 -20.005 1.00 1.00 N +ATOM 1063 CA VAL A 70 4.151 12.073 -21.031 1.00 1.00 C +ATOM 1064 C VAL A 70 4.476 12.873 -22.295 1.00 1.00 C +ATOM 1065 O VAL A 70 4.079 12.491 -23.395 1.00 1.00 O +ATOM 1066 CB VAL A 70 2.740 12.341 -20.501 1.00 1.00 C +ATOM 1067 CG1 VAL A 70 1.682 11.772 -21.448 1.00 1.00 C +ATOM 1068 CG2 VAL A 70 2.572 11.778 -19.088 1.00 1.00 C +ATOM 1069 H VAL A 70 4.926 13.178 -19.445 1.00 1.00 H +ATOM 1070 HA VAL A 70 4.230 11.010 -21.259 1.00 1.00 H +ATOM 1071 HB VAL A 70 2.601 13.420 -20.451 1.00 1.00 H +ATOM 1072 HG11 VAL A 70 2.147 11.516 -22.400 1.00 1.00 H +ATOM 1073 HG12 VAL A 70 1.241 10.879 -21.005 1.00 1.00 H +ATOM 1074 HG13 VAL A 70 0.904 12.518 -21.612 1.00 1.00 H +ATOM 1075 HG21 VAL A 70 3.549 11.526 -18.677 1.00 1.00 H +ATOM 1076 HG22 VAL A 70 2.094 12.525 -18.454 1.00 1.00 H +ATOM 1077 HG23 VAL A 70 1.950 10.884 -19.125 1.00 1.00 H +ATOM 1078 N SER A 71 5.195 13.967 -22.095 1.00 1.00 N +ATOM 1079 CA SER A 71 5.578 14.824 -23.204 1.00 1.00 C +ATOM 1080 C SER A 71 7.101 14.942 -23.273 1.00 1.00 C +ATOM 1081 O SER A 71 7.738 14.323 -24.124 1.00 1.00 O +ATOM 1082 CB SER A 71 4.943 16.210 -23.073 1.00 1.00 C +ATOM 1083 OG SER A 71 5.230 17.036 -24.199 1.00 1.00 O +ATOM 1084 H SER A 71 5.515 14.270 -21.197 1.00 1.00 H +ATOM 1085 HA SER A 71 5.191 14.331 -24.096 1.00 1.00 H +ATOM 1086 HB2 SER A 71 3.864 16.106 -22.966 1.00 1.00 H +ATOM 1087 HB3 SER A 71 5.309 16.692 -22.168 1.00 1.00 H +ATOM 1088 HG SER A 71 4.444 17.060 -24.815 1.00 1.00 H +ATOM 1089 N SER A 72 7.643 15.742 -22.366 1.00 1.00 N +ATOM 1090 CA SER A 72 9.081 15.949 -22.312 1.00 1.00 C +ATOM 1091 C SER A 72 9.403 17.162 -21.438 1.00 1.00 C +ATOM 1092 O SER A 72 10.089 17.037 -20.427 1.00 1.00 O +ATOM 1093 CB SER A 72 9.662 16.136 -23.716 1.00 1.00 C +ATOM 1094 OG SER A 72 8.879 17.027 -24.504 1.00 1.00 O +ATOM 1095 H SER A 72 7.119 16.242 -21.677 1.00 1.00 H +ATOM 1096 HA SER A 72 9.486 15.039 -21.870 1.00 1.00 H +ATOM 1097 HB2 SER A 72 10.680 16.519 -23.638 1.00 1.00 H +ATOM 1098 HB3 SER A 72 9.723 15.169 -24.214 1.00 1.00 H +ATOM 1099 HG SER A 72 7.915 16.955 -24.246 1.00 1.00 H +ATOM 1100 N GLU A 73 8.891 18.309 -21.861 1.00 1.00 N +ATOM 1101 CA GLU A 73 9.115 19.544 -21.131 1.00 1.00 C +ATOM 1102 C GLU A 73 8.305 19.547 -19.833 1.00 1.00 C +ATOM 1103 O GLU A 73 8.414 20.473 -19.031 1.00 1.00 O +ATOM 1104 CB GLU A 73 8.775 20.761 -21.992 1.00 1.00 C +ATOM 1105 CG GLU A 73 7.730 20.408 -23.052 1.00 1.00 C +ATOM 1106 CD GLU A 73 7.066 21.668 -23.610 1.00 1.00 C +ATOM 1107 OE1 GLU A 73 7.769 22.701 -23.668 1.00 1.00 O +ATOM 1108 OE2 GLU A 73 5.872 21.571 -23.964 1.00 1.00 O +ATOM 1109 H GLU A 73 8.333 18.401 -22.687 1.00 1.00 H +ATOM 1110 HA GLU A 73 10.182 19.555 -20.901 1.00 1.00 H +ATOM 1111 HB2 GLU A 73 8.399 21.566 -21.360 1.00 1.00 H +ATOM 1112 HB3 GLU A 73 9.678 21.132 -22.477 1.00 1.00 H +ATOM 1113 HG2 GLU A 73 8.202 19.852 -23.863 1.00 1.00 H +ATOM 1114 HG3 GLU A 73 6.973 19.756 -22.617 1.00 1.00 H +ATOM 1115 N SER A 74 7.511 18.500 -19.667 1.00 1.00 N +ATOM 1116 CA SER A 74 6.683 18.371 -18.479 1.00 1.00 C +ATOM 1117 C SER A 74 6.906 17.002 -17.833 1.00 1.00 C +ATOM 1118 O SER A 74 5.949 16.316 -17.475 1.00 1.00 O +ATOM 1119 CB SER A 74 5.202 18.562 -18.817 1.00 1.00 C +ATOM 1120 OG SER A 74 5.009 19.543 -19.832 1.00 1.00 O +ATOM 1121 H SER A 74 7.428 17.750 -20.323 1.00 1.00 H +ATOM 1122 HA SER A 74 7.009 19.167 -17.812 1.00 1.00 H +ATOM 1123 HB2 SER A 74 4.779 17.613 -19.146 1.00 1.00 H +ATOM 1124 HB3 SER A 74 4.661 18.859 -17.920 1.00 1.00 H +ATOM 1125 HG SER A 74 4.553 20.347 -19.450 1.00 1.00 H +ATOM 1126 N ARG A 75 8.174 16.645 -17.701 1.00 1.00 N +ATOM 1127 CA ARG A 75 8.536 15.371 -17.103 1.00 1.00 C +ATOM 1128 C ARG A 75 8.248 15.390 -15.600 1.00 1.00 C +ATOM 1129 O ARG A 75 8.054 16.453 -15.015 1.00 1.00 O +ATOM 1130 CB ARG A 75 10.016 15.057 -17.328 1.00 1.00 C +ATOM 1131 CG ARG A 75 10.362 13.654 -16.824 1.00 1.00 C +ATOM 1132 CD ARG A 75 11.557 13.076 -17.585 1.00 1.00 C +ATOM 1133 NE ARG A 75 11.666 13.715 -18.916 1.00 1.00 N +ATOM 1134 CZ ARG A 75 12.446 14.772 -19.181 1.00 1.00 C +ATOM 1135 NH1 ARG A 75 13.190 15.316 -18.209 1.00 1.00 N +ATOM 1136 NH2 ARG A 75 12.481 15.284 -20.419 1.00 1.00 N +ATOM 1137 H ARG A 75 8.947 17.208 -17.993 1.00 1.00 H +ATOM 1138 HA ARG A 75 7.911 14.636 -17.613 1.00 1.00 H +ATOM 1139 HB2 ARG A 75 10.251 15.133 -18.390 1.00 1.00 H +ATOM 1140 HB3 ARG A 75 10.630 15.793 -16.813 1.00 1.00 H +ATOM 1141 HG2 ARG A 75 10.588 13.692 -15.759 1.00 1.00 H +ATOM 1142 HG3 ARG A 75 9.499 12.998 -16.944 1.00 1.00 H +ATOM 1143 HD2 ARG A 75 12.473 13.241 -17.018 1.00 1.00 H +ATOM 1144 HD3 ARG A 75 11.441 12.000 -17.697 1.00 1.00 H +ATOM 1145 HE ARG A 75 11.124 13.333 -19.664 1.00 1.00 H +ATOM 1146 HH11 ARG A 75 13.162 14.934 -17.285 1.00 1.00 H +ATOM 1147 HH12 ARG A 75 13.771 16.105 -18.406 1.00 1.00 H +ATOM 1148 HH21 ARG A 75 11.925 14.879 -21.145 1.00 1.00 H +ATOM 1149 HH22 ARG A 75 13.063 16.073 -20.616 1.00 1.00 H +ATOM 1150 N PHE A 76 8.229 14.198 -15.020 1.00 1.00 N +ATOM 1151 CA PHE A 76 7.968 14.065 -13.596 1.00 1.00 C +ATOM 1152 C PHE A 76 8.759 12.897 -13.002 1.00 1.00 C +ATOM 1153 O PHE A 76 9.444 12.175 -13.724 1.00 1.00 O +ATOM 1154 CB PHE A 76 6.472 13.783 -13.441 1.00 1.00 C +ATOM 1155 CG PHE A 76 5.574 14.750 -14.214 1.00 1.00 C +ATOM 1156 CD1 PHE A 76 5.434 16.036 -13.791 1.00 1.00 C +ATOM 1157 CD2 PHE A 76 4.915 14.325 -15.325 1.00 1.00 C +ATOM 1158 CE1 PHE A 76 4.600 16.933 -14.509 1.00 1.00 C +ATOM 1159 CE2 PHE A 76 4.080 15.222 -16.043 1.00 1.00 C +ATOM 1160 CZ PHE A 76 3.941 16.507 -15.619 1.00 1.00 C +ATOM 1161 H PHE A 76 8.387 13.337 -15.503 1.00 1.00 H +ATOM 1162 HA PHE A 76 8.282 14.994 -13.121 1.00 1.00 H +ATOM 1163 HB2 PHE A 76 6.267 12.767 -13.775 1.00 1.00 H +ATOM 1164 HB3 PHE A 76 6.213 13.830 -12.383 1.00 1.00 H +ATOM 1165 HD1 PHE A 76 5.963 16.376 -12.900 1.00 1.00 H +ATOM 1166 HD2 PHE A 76 5.026 13.294 -15.664 1.00 1.00 H +ATOM 1167 HE1 PHE A 76 4.489 17.963 -14.170 1.00 1.00 H +ATOM 1168 HE2 PHE A 76 3.551 14.881 -16.933 1.00 1.00 H +ATOM 1169 HZ PHE A 76 3.300 17.197 -16.170 1.00 1.00 H +ATOM 1170 N ASN A 77 8.637 12.748 -11.691 1.00 1.00 N +ATOM 1171 CA ASN A 77 9.332 11.681 -10.991 1.00 1.00 C +ATOM 1172 C ASN A 77 8.306 10.748 -10.346 1.00 1.00 C +ATOM 1173 O ASN A 77 8.580 9.568 -10.137 1.00 1.00 O +ATOM 1174 CB ASN A 77 10.226 12.240 -9.882 1.00 1.00 C +ATOM 1175 CG ASN A 77 11.622 12.566 -10.416 1.00 1.00 C +ATOM 1176 OD1 ASN A 77 12.164 11.883 -11.268 1.00 1.00 O +ATOM 1177 ND2 ASN A 77 12.173 13.646 -9.868 1.00 1.00 N +ATOM 1178 H ASN A 77 8.078 13.340 -11.111 1.00 1.00 H +ATOM 1179 HA ASN A 77 9.930 11.181 -11.753 1.00 1.00 H +ATOM 1180 HB2 ASN A 77 9.774 13.140 -9.464 1.00 1.00 H +ATOM 1181 HB3 ASN A 77 10.302 11.516 -9.072 1.00 1.00 H +ATOM 1182 HD21 ASN A 77 11.674 14.163 -9.173 1.00 1.00 H +ATOM 1183 HD22 ASN A 77 13.085 13.941 -10.149 1.00 1.00 H +ATOM 1184 N THR A 78 7.145 11.313 -10.046 1.00 1.00 N +ATOM 1185 CA THR A 78 6.076 10.546 -9.428 1.00 1.00 C +ATOM 1186 C THR A 78 4.776 10.714 -10.216 1.00 1.00 C +ATOM 1187 O THR A 78 4.489 11.797 -10.724 1.00 1.00 O +ATOM 1188 CB THR A 78 5.963 10.985 -7.967 1.00 1.00 C +ATOM 1189 OG1 THR A 78 6.744 10.031 -7.256 1.00 1.00 O +ATOM 1190 CG2 THR A 78 4.551 10.804 -7.410 1.00 1.00 C +ATOM 1191 H THR A 78 6.931 12.274 -10.218 1.00 1.00 H +ATOM 1192 HA THR A 78 6.343 9.490 -9.471 1.00 1.00 H +ATOM 1193 HB THR A 78 6.301 12.015 -7.843 1.00 1.00 H +ATOM 1194 HG1 THR A 78 6.433 9.972 -6.307 1.00 1.00 H +ATOM 1195 HG21 THR A 78 3.820 11.036 -8.185 1.00 1.00 H +ATOM 1196 HG22 THR A 78 4.418 9.773 -7.083 1.00 1.00 H +ATOM 1197 HG23 THR A 78 4.404 11.474 -6.562 1.00 1.00 H +ATOM 1198 N LEU A 79 4.024 9.625 -10.295 1.00 1.00 N +ATOM 1199 CA LEU A 79 2.761 9.638 -11.011 1.00 1.00 C +ATOM 1200 C LEU A 79 1.982 10.903 -10.642 1.00 1.00 C +ATOM 1201 O LEU A 79 1.586 11.669 -11.518 1.00 1.00 O +ATOM 1202 CB LEU A 79 1.988 8.344 -10.757 1.00 1.00 C +ATOM 1203 CG LEU A 79 2.020 7.814 -9.322 1.00 1.00 C +ATOM 1204 CD1 LEU A 79 0.668 7.213 -8.928 1.00 1.00 C +ATOM 1205 CD2 LEU A 79 3.167 6.820 -9.128 1.00 1.00 C +ATOM 1206 H LEU A 79 4.266 8.749 -9.878 1.00 1.00 H +ATOM 1207 HA LEU A 79 2.990 9.672 -12.077 1.00 1.00 H +ATOM 1208 HB2 LEU A 79 0.946 8.503 -11.041 1.00 1.00 H +ATOM 1209 HB3 LEU A 79 2.383 7.570 -11.416 1.00 1.00 H +ATOM 1210 HG LEU A 79 2.206 8.654 -8.652 1.00 1.00 H +ATOM 1211 HD11 LEU A 79 -0.134 7.855 -9.291 1.00 1.00 H +ATOM 1212 HD12 LEU A 79 0.569 6.222 -9.371 1.00 1.00 H +ATOM 1213 HD13 LEU A 79 0.608 7.134 -7.843 1.00 1.00 H +ATOM 1214 HD21 LEU A 79 3.837 6.868 -9.987 1.00 1.00 H +ATOM 1215 HD22 LEU A 79 3.717 7.072 -8.223 1.00 1.00 H +ATOM 1216 HD23 LEU A 79 2.763 5.812 -9.040 1.00 1.00 H +ATOM 1217 N ALA A 80 1.788 11.081 -9.344 1.00 1.00 N +ATOM 1218 CA ALA A 80 1.064 12.239 -8.848 1.00 1.00 C +ATOM 1219 C ALA A 80 1.536 13.488 -9.595 1.00 1.00 C +ATOM 1220 O ALA A 80 0.756 14.127 -10.299 1.00 1.00 O +ATOM 1221 CB ALA A 80 1.260 12.356 -7.335 1.00 1.00 C +ATOM 1222 H ALA A 80 2.114 10.453 -8.639 1.00 1.00 H +ATOM 1223 HA ALA A 80 0.005 12.081 -9.054 1.00 1.00 H +ATOM 1224 HB1 ALA A 80 2.306 12.169 -7.090 1.00 1.00 H +ATOM 1225 HB2 ALA A 80 0.984 13.358 -7.009 1.00 1.00 H +ATOM 1226 HB3 ALA A 80 0.632 11.622 -6.830 1.00 1.00 H +ATOM 1227 N GLU A 81 2.812 13.800 -9.416 1.00 1.00 N +ATOM 1228 CA GLU A 81 3.398 14.961 -10.064 1.00 1.00 C +ATOM 1229 C GLU A 81 2.972 15.020 -11.533 1.00 1.00 C +ATOM 1230 O GLU A 81 2.948 16.092 -12.133 1.00 1.00 O +ATOM 1231 CB GLU A 81 4.922 14.951 -9.934 1.00 1.00 C +ATOM 1232 CG GLU A 81 5.386 15.927 -8.851 1.00 1.00 C +ATOM 1233 CD GLU A 81 4.871 17.340 -9.129 1.00 1.00 C +ATOM 1234 OE1 GLU A 81 5.579 18.068 -9.859 1.00 1.00 O +ATOM 1235 OE2 GLU A 81 3.782 17.661 -8.607 1.00 1.00 O +ATOM 1236 H GLU A 81 3.440 13.275 -8.841 1.00 1.00 H +ATOM 1237 HA GLU A 81 2.999 15.823 -9.528 1.00 1.00 H +ATOM 1238 HB2 GLU A 81 5.264 13.945 -9.692 1.00 1.00 H +ATOM 1239 HB3 GLU A 81 5.373 15.220 -10.889 1.00 1.00 H +ATOM 1240 HG2 GLU A 81 5.029 15.592 -7.877 1.00 1.00 H +ATOM 1241 HG3 GLU A 81 6.475 15.935 -8.806 1.00 1.00 H +ATOM 1242 N LEU A 82 2.649 13.853 -12.069 1.00 1.00 N +ATOM 1243 CA LEU A 82 2.226 13.757 -13.455 1.00 1.00 C +ATOM 1244 C LEU A 82 0.869 14.442 -13.619 1.00 1.00 C +ATOM 1245 O LEU A 82 0.734 15.386 -14.398 1.00 1.00 O +ATOM 1246 CB LEU A 82 2.239 12.300 -13.921 1.00 1.00 C +ATOM 1247 CG LEU A 82 2.414 12.076 -15.424 1.00 1.00 C +ATOM 1248 CD1 LEU A 82 3.654 11.230 -15.712 1.00 1.00 C +ATOM 1249 CD2 LEU A 82 1.151 11.473 -16.041 1.00 1.00 C +ATOM 1250 H LEU A 82 2.671 12.983 -11.574 1.00 1.00 H +ATOM 1251 HA LEU A 82 2.959 14.293 -14.058 1.00 1.00 H +ATOM 1252 HB2 LEU A 82 3.044 11.779 -13.401 1.00 1.00 H +ATOM 1253 HB3 LEU A 82 1.305 11.831 -13.612 1.00 1.00 H +ATOM 1254 HG LEU A 82 2.570 13.046 -15.897 1.00 1.00 H +ATOM 1255 HD11 LEU A 82 4.457 11.515 -15.033 1.00 1.00 H +ATOM 1256 HD12 LEU A 82 3.415 10.175 -15.567 1.00 1.00 H +ATOM 1257 HD13 LEU A 82 3.975 11.391 -16.742 1.00 1.00 H +ATOM 1258 HD21 LEU A 82 0.311 12.148 -15.881 1.00 1.00 H +ATOM 1259 HD22 LEU A 82 1.302 11.325 -17.111 1.00 1.00 H +ATOM 1260 HD23 LEU A 82 0.940 10.512 -15.569 1.00 1.00 H +ATOM 1261 N VAL A 83 -0.105 13.943 -12.871 1.00 1.00 N +ATOM 1262 CA VAL A 83 -1.447 14.495 -12.924 1.00 1.00 C +ATOM 1263 C VAL A 83 -1.423 15.932 -12.398 1.00 1.00 C +ATOM 1264 O VAL A 83 -2.105 16.804 -12.935 1.00 1.00 O +ATOM 1265 CB VAL A 83 -2.415 13.595 -12.153 1.00 1.00 C +ATOM 1266 CG1 VAL A 83 -3.600 14.396 -11.613 1.00 1.00 C +ATOM 1267 CG2 VAL A 83 -2.892 12.431 -13.026 1.00 1.00 C +ATOM 1268 H VAL A 83 0.012 13.176 -12.241 1.00 1.00 H +ATOM 1269 HA VAL A 83 -1.758 14.509 -13.968 1.00 1.00 H +ATOM 1270 HB VAL A 83 -1.877 13.175 -11.303 1.00 1.00 H +ATOM 1271 HG11 VAL A 83 -3.393 15.462 -11.712 1.00 1.00 H +ATOM 1272 HG12 VAL A 83 -4.496 14.146 -12.180 1.00 1.00 H +ATOM 1273 HG13 VAL A 83 -3.755 14.153 -10.563 1.00 1.00 H +ATOM 1274 HG21 VAL A 83 -2.815 12.710 -14.077 1.00 1.00 H +ATOM 1275 HG22 VAL A 83 -2.272 11.556 -12.836 1.00 1.00 H +ATOM 1276 HG23 VAL A 83 -3.930 12.199 -12.786 1.00 1.00 H +ATOM 1277 N HIS A 84 -0.631 16.135 -11.355 1.00 1.00 N +ATOM 1278 CA HIS A 84 -0.510 17.450 -10.753 1.00 1.00 C +ATOM 1279 C HIS A 84 -0.345 18.504 -11.849 1.00 1.00 C +ATOM 1280 O HIS A 84 -1.124 19.453 -11.927 1.00 1.00 O +ATOM 1281 CB HIS A 84 0.627 17.476 -9.728 1.00 1.00 C +ATOM 1282 CG HIS A 84 0.174 17.765 -8.316 1.00 1.00 C +ATOM 1283 ND1 HIS A 84 -1.103 17.485 -7.866 1.00 1.00 N +ATOM 1284 CD2 HIS A 84 0.843 18.310 -7.261 1.00 1.00 C +ATOM 1285 CE1 HIS A 84 -1.189 17.850 -6.595 1.00 1.00 C +ATOM 1286 NE2 HIS A 84 0.019 18.361 -6.222 1.00 1.00 N +ATOM 1287 H HIS A 84 -0.081 15.420 -10.925 1.00 1.00 H +ATOM 1288 HA HIS A 84 -1.443 17.637 -10.218 1.00 1.00 H +ATOM 1289 HB2 HIS A 84 1.139 16.514 -9.745 1.00 1.00 H +ATOM 1290 HB3 HIS A 84 1.355 18.230 -10.027 1.00 1.00 H +ATOM 1291 HD1 HIS A 84 -1.838 17.077 -8.408 1.00 1.00 H +ATOM 1292 HD2 HIS A 84 1.881 18.646 -7.269 1.00 1.00 H +ATOM 1293 HE1 HIS A 84 -2.069 17.758 -5.960 1.00 1.00 H +ATOM 1294 N HIS A 85 0.676 18.304 -12.669 1.00 1.00 N +ATOM 1295 CA HIS A 85 0.955 19.224 -13.758 1.00 1.00 C +ATOM 1296 C HIS A 85 -0.169 19.151 -14.792 1.00 1.00 C +ATOM 1297 O HIS A 85 -0.681 20.180 -15.230 1.00 1.00 O +ATOM 1298 CB HIS A 85 2.334 18.952 -14.360 1.00 1.00 C +ATOM 1299 CG HIS A 85 2.546 19.578 -15.718 1.00 1.00 C +ATOM 1300 ND1 HIS A 85 2.986 20.881 -15.881 1.00 1.00 N +ATOM 1301 CD2 HIS A 85 2.375 19.070 -16.971 1.00 1.00 C +ATOM 1302 CE1 HIS A 85 3.071 21.132 -17.180 1.00 1.00 C +ATOM 1303 NE2 HIS A 85 2.692 20.009 -17.854 1.00 1.00 N +ATOM 1304 H HIS A 85 1.306 17.530 -12.598 1.00 1.00 H +ATOM 1305 HA HIS A 85 0.974 20.224 -13.323 1.00 1.00 H +ATOM 1306 HB2 HIS A 85 3.100 19.322 -13.677 1.00 1.00 H +ATOM 1307 HB3 HIS A 85 2.477 17.874 -14.443 1.00 1.00 H +ATOM 1308 HD1 HIS A 85 3.203 21.522 -15.145 1.00 1.00 H +ATOM 1309 HD2 HIS A 85 2.035 18.061 -17.208 1.00 1.00 H +ATOM 1310 HE1 HIS A 85 3.390 22.074 -17.629 1.00 1.00 H +ATOM 1311 N HIS A 86 -0.521 17.926 -15.152 1.00 1.00 N +ATOM 1312 CA HIS A 86 -1.575 17.706 -16.127 1.00 1.00 C +ATOM 1313 C HIS A 86 -2.914 18.164 -15.546 1.00 1.00 C +ATOM 1314 O HIS A 86 -3.943 18.088 -16.216 1.00 1.00 O +ATOM 1315 CB HIS A 86 -1.595 16.245 -16.584 1.00 1.00 C +ATOM 1316 CG HIS A 86 -0.380 15.834 -17.382 1.00 1.00 C +ATOM 1317 ND1 HIS A 86 0.360 16.729 -18.133 1.00 1.00 N +ATOM 1318 CD2 HIS A 86 0.215 14.615 -17.534 1.00 1.00 C +ATOM 1319 CE1 HIS A 86 1.354 16.069 -18.710 1.00 1.00 C +ATOM 1320 NE2 HIS A 86 1.261 14.759 -18.338 1.00 1.00 N +ATOM 1321 H HIS A 86 -0.098 17.095 -14.790 1.00 1.00 H +ATOM 1322 HA HIS A 86 -1.335 18.321 -16.992 1.00 1.00 H +ATOM 1323 HB2 HIS A 86 -1.678 15.602 -15.707 1.00 1.00 H +ATOM 1324 HB3 HIS A 86 -2.488 16.076 -17.186 1.00 1.00 H +ATOM 1325 HD1 HIS A 86 0.178 17.707 -18.225 1.00 1.00 H +ATOM 1326 HD2 HIS A 86 -0.115 13.684 -17.076 1.00 1.00 H +ATOM 1327 HE1 HIS A 86 2.112 16.496 -19.365 1.00 1.00 H +ATOM 1328 N SER A 87 -2.857 18.629 -14.307 1.00 1.00 N +ATOM 1329 CA SER A 87 -4.054 19.100 -13.629 1.00 1.00 C +ATOM 1330 C SER A 87 -4.426 20.495 -14.133 1.00 1.00 C +ATOM 1331 O SER A 87 -5.603 20.804 -14.305 1.00 1.00 O +ATOM 1332 CB SER A 87 -3.856 19.119 -12.112 1.00 1.00 C +ATOM 1333 OG SER A 87 -3.381 20.381 -11.651 1.00 1.00 O +ATOM 1334 H SER A 87 -2.016 18.687 -13.770 1.00 1.00 H +ATOM 1335 HA SER A 87 -4.832 18.381 -13.884 1.00 1.00 H +ATOM 1336 HB2 SER A 87 -4.798 18.884 -11.620 1.00 1.00 H +ATOM 1337 HB3 SER A 87 -3.146 18.341 -11.830 1.00 1.00 H +ATOM 1338 HG SER A 87 -3.076 20.307 -10.702 1.00 1.00 H +ATOM 1339 N THR A 88 -3.399 21.303 -14.356 1.00 1.00 N +ATOM 1340 CA THR A 88 -3.603 22.658 -14.837 1.00 1.00 C +ATOM 1341 C THR A 88 -2.978 22.833 -16.223 1.00 1.00 C +ATOM 1342 O THR A 88 -3.417 23.676 -17.004 1.00 1.00 O +ATOM 1343 CB THR A 88 -3.039 23.622 -13.791 1.00 1.00 C +ATOM 1344 OG1 THR A 88 -1.734 23.116 -13.521 1.00 1.00 O +ATOM 1345 CG2 THR A 88 -3.764 23.518 -12.448 1.00 1.00 C +ATOM 1346 H THR A 88 -2.443 21.044 -14.215 1.00 1.00 H +ATOM 1347 HA THR A 88 -4.675 22.826 -14.947 1.00 1.00 H +ATOM 1348 HB THR A 88 -3.048 24.647 -14.160 1.00 1.00 H +ATOM 1349 HG1 THR A 88 -1.795 22.311 -12.930 1.00 1.00 H +ATOM 1350 HG21 THR A 88 -3.839 22.470 -12.156 1.00 1.00 H +ATOM 1351 HG22 THR A 88 -3.207 24.067 -11.689 1.00 1.00 H +ATOM 1352 HG23 THR A 88 -4.764 23.941 -12.542 1.00 1.00 H +ATOM 1353 N VAL A 89 -1.964 22.022 -16.486 1.00 1.00 N +ATOM 1354 CA VAL A 89 -1.274 22.077 -17.763 1.00 1.00 C +ATOM 1355 C VAL A 89 -1.055 20.654 -18.280 1.00 1.00 C +ATOM 1356 O VAL A 89 -0.018 20.045 -18.017 1.00 1.00 O +ATOM 1357 CB VAL A 89 0.029 22.868 -17.622 1.00 1.00 C +ATOM 1358 CG1 VAL A 89 0.859 22.789 -18.903 1.00 1.00 C +ATOM 1359 CG2 VAL A 89 -0.253 24.323 -17.239 1.00 1.00 C +ATOM 1360 H VAL A 89 -1.612 21.340 -15.845 1.00 1.00 H +ATOM 1361 HA VAL A 89 -1.917 22.609 -18.463 1.00 1.00 H +ATOM 1362 HB VAL A 89 0.609 22.417 -16.817 1.00 1.00 H +ATOM 1363 HG11 VAL A 89 0.722 21.811 -19.367 1.00 1.00 H +ATOM 1364 HG12 VAL A 89 0.536 23.567 -19.596 1.00 1.00 H +ATOM 1365 HG13 VAL A 89 1.915 22.932 -18.663 1.00 1.00 H +ATOM 1366 HG21 VAL A 89 -1.039 24.354 -16.485 1.00 1.00 H +ATOM 1367 HG22 VAL A 89 0.654 24.774 -16.837 1.00 1.00 H +ATOM 1368 HG23 VAL A 89 -0.573 24.875 -18.122 1.00 1.00 H +ATOM 1369 N ALA A 90 -2.049 20.163 -19.008 1.00 1.00 N +ATOM 1370 CA ALA A 90 -1.977 18.822 -19.564 1.00 1.00 C +ATOM 1371 C ALA A 90 -1.049 18.829 -20.781 1.00 1.00 C +ATOM 1372 O ALA A 90 -1.454 18.440 -21.875 1.00 1.00 O +ATOM 1373 CB ALA A 90 -3.388 18.338 -19.907 1.00 1.00 C +ATOM 1374 H ALA A 90 -2.888 20.665 -19.217 1.00 1.00 H +ATOM 1375 HA ALA A 90 -1.557 18.168 -18.800 1.00 1.00 H +ATOM 1376 HB1 ALA A 90 -4.092 18.712 -19.165 1.00 1.00 H +ATOM 1377 HB2 ALA A 90 -3.669 18.707 -20.894 1.00 1.00 H +ATOM 1378 HB3 ALA A 90 -3.406 17.248 -19.910 1.00 1.00 H +ATOM 1379 N ASP A 91 0.176 19.275 -20.549 1.00 1.00 N +ATOM 1380 CA ASP A 91 1.163 19.337 -21.612 1.00 1.00 C +ATOM 1381 C ASP A 91 1.711 17.933 -21.875 1.00 1.00 C +ATOM 1382 O ASP A 91 2.924 17.741 -21.959 1.00 1.00 O +ATOM 1383 CB ASP A 91 2.338 20.237 -21.222 1.00 1.00 C +ATOM 1384 CG ASP A 91 3.240 20.662 -22.381 1.00 1.00 C +ATOM 1385 OD1 ASP A 91 2.805 21.556 -23.141 1.00 1.00 O +ATOM 1386 OD2 ASP A 91 4.344 20.086 -22.482 1.00 1.00 O +ATOM 1387 H ASP A 91 0.495 19.590 -19.654 1.00 1.00 H +ATOM 1388 HA ASP A 91 0.633 19.747 -22.472 1.00 1.00 H +ATOM 1389 HB2 ASP A 91 1.945 21.132 -20.738 1.00 1.00 H +ATOM 1390 HB3 ASP A 91 2.945 19.715 -20.481 1.00 1.00 H +ATOM 1391 N GLY A 92 0.792 16.988 -21.998 1.00 1.00 N +ATOM 1392 CA GLY A 92 1.168 15.606 -22.252 1.00 1.00 C +ATOM 1393 C GLY A 92 -0.054 14.766 -22.629 1.00 1.00 C +ATOM 1394 O GLY A 92 -0.162 14.294 -23.760 1.00 1.00 O +ATOM 1395 H GLY A 92 -0.192 17.152 -21.929 1.00 1.00 H +ATOM 1396 HA2 GLY A 92 1.902 15.566 -23.055 1.00 1.00 H +ATOM 1397 HA3 GLY A 92 1.643 15.186 -21.364 1.00 1.00 H +ATOM 1398 N LEU A 93 -0.943 14.605 -21.659 1.00 1.00 N +ATOM 1399 CA LEU A 93 -2.153 13.829 -21.875 1.00 1.00 C +ATOM 1400 C LEU A 93 -3.172 14.682 -22.634 1.00 1.00 C +ATOM 1401 O LEU A 93 -3.355 15.857 -22.324 1.00 1.00 O +ATOM 1402 CB LEU A 93 -2.679 13.276 -20.549 1.00 1.00 C +ATOM 1403 CG LEU A 93 -1.763 13.457 -19.337 1.00 1.00 C +ATOM 1404 CD1 LEU A 93 -2.418 12.905 -18.068 1.00 1.00 C +ATOM 1405 CD2 LEU A 93 -0.389 12.831 -19.590 1.00 1.00 C +ATOM 1406 H LEU A 93 -0.848 14.991 -20.743 1.00 1.00 H +ATOM 1407 HA LEU A 93 -1.886 12.974 -22.497 1.00 1.00 H +ATOM 1408 HB2 LEU A 93 -3.635 13.755 -20.332 1.00 1.00 H +ATOM 1409 HB3 LEU A 93 -2.877 12.212 -20.675 1.00 1.00 H +ATOM 1410 HG LEU A 93 -1.608 14.524 -19.182 1.00 1.00 H +ATOM 1411 HD11 LEU A 93 -3.440 12.597 -18.291 1.00 1.00 H +ATOM 1412 HD12 LEU A 93 -1.850 12.047 -17.709 1.00 1.00 H +ATOM 1413 HD13 LEU A 93 -2.431 13.679 -17.301 1.00 1.00 H +ATOM 1414 HD21 LEU A 93 -0.492 11.999 -20.286 1.00 1.00 H +ATOM 1415 HD22 LEU A 93 0.277 13.583 -20.017 1.00 1.00 H +ATOM 1416 HD23 LEU A 93 0.025 12.472 -18.648 1.00 1.00 H +ATOM 1417 N ILE A 94 -3.807 14.056 -23.613 1.00 1.00 N +ATOM 1418 CA ILE A 94 -4.802 14.743 -24.418 1.00 1.00 C +ATOM 1419 C ILE A 94 -5.679 15.606 -23.511 1.00 1.00 C +ATOM 1420 O ILE A 94 -5.435 16.803 -23.360 1.00 1.00 O +ATOM 1421 CB ILE A 94 -5.592 13.741 -25.264 1.00 1.00 C +ATOM 1422 CG1 ILE A 94 -6.894 14.361 -25.776 1.00 1.00 C +ATOM 1423 CG2 ILE A 94 -5.840 12.445 -24.490 1.00 1.00 C +ATOM 1424 CD1 ILE A 94 -7.292 13.764 -27.126 1.00 1.00 C +ATOM 1425 H ILE A 94 -3.652 13.100 -23.860 1.00 1.00 H +ATOM 1426 HA ILE A 94 -4.270 15.398 -25.109 1.00 1.00 H +ATOM 1427 HB ILE A 94 -4.993 13.486 -26.138 1.00 1.00 H +ATOM 1428 HG12 ILE A 94 -7.689 14.194 -25.050 1.00 1.00 H +ATOM 1429 HG13 ILE A 94 -6.773 15.440 -25.873 1.00 1.00 H +ATOM 1430 HG21 ILE A 94 -5.002 12.258 -23.818 1.00 1.00 H +ATOM 1431 HG22 ILE A 94 -6.759 12.538 -23.910 1.00 1.00 H +ATOM 1432 HG23 ILE A 94 -5.936 11.616 -25.191 1.00 1.00 H +ATOM 1433 HD11 ILE A 94 -6.431 13.767 -27.793 1.00 1.00 H +ATOM 1434 HD12 ILE A 94 -7.637 12.740 -26.983 1.00 1.00 H +ATOM 1435 HD13 ILE A 94 -8.095 14.358 -27.565 1.00 1.00 H +ATOM 1436 N THR A 95 -6.684 14.967 -22.928 1.00 1.00 N +ATOM 1437 CA THR A 95 -7.598 15.661 -22.039 1.00 1.00 C +ATOM 1438 C THR A 95 -6.893 16.029 -20.731 1.00 1.00 C +ATOM 1439 O THR A 95 -5.939 15.368 -20.327 1.00 1.00 O +ATOM 1440 CB THR A 95 -8.827 14.774 -21.836 1.00 1.00 C +ATOM 1441 OG1 THR A 95 -9.512 15.373 -20.741 1.00 1.00 O +ATOM 1442 CG2 THR A 95 -8.464 13.376 -21.331 1.00 1.00 C +ATOM 1443 H THR A 95 -6.875 13.993 -23.056 1.00 1.00 H +ATOM 1444 HA THR A 95 -7.897 16.595 -22.515 1.00 1.00 H +ATOM 1445 HB THR A 95 -9.420 14.715 -22.750 1.00 1.00 H +ATOM 1446 HG1 THR A 95 -9.558 16.364 -20.865 1.00 1.00 H +ATOM 1447 HG21 THR A 95 -7.400 13.198 -21.489 1.00 1.00 H +ATOM 1448 HG22 THR A 95 -8.689 13.306 -20.266 1.00 1.00 H +ATOM 1449 HG23 THR A 95 -9.043 12.630 -21.874 1.00 1.00 H +ATOM 1450 N THR A 96 -7.392 17.086 -20.105 1.00 1.00 N +ATOM 1451 CA THR A 96 -6.824 17.550 -18.850 1.00 1.00 C +ATOM 1452 C THR A 96 -7.668 17.068 -17.670 1.00 1.00 C +ATOM 1453 O THR A 96 -8.844 17.413 -17.561 1.00 1.00 O +ATOM 1454 CB THR A 96 -6.696 19.073 -18.925 1.00 1.00 C +ATOM 1455 OG1 THR A 96 -8.039 19.539 -18.833 1.00 1.00 O +ATOM 1456 CG2 THR A 96 -6.227 19.555 -20.299 1.00 1.00 C +ATOM 1457 H THR A 96 -8.170 17.618 -20.440 1.00 1.00 H +ATOM 1458 HA THR A 96 -5.834 17.107 -18.737 1.00 1.00 H +ATOM 1459 HB THR A 96 -6.041 19.447 -18.137 1.00 1.00 H +ATOM 1460 HG1 THR A 96 -8.361 19.468 -17.889 1.00 1.00 H +ATOM 1461 HG21 THR A 96 -6.177 18.707 -20.985 1.00 1.00 H +ATOM 1462 HG22 THR A 96 -6.931 20.293 -20.685 1.00 1.00 H +ATOM 1463 HG23 THR A 96 -5.240 20.007 -20.208 1.00 1.00 H +ATOM 1464 N LEU A 97 -7.036 16.277 -16.815 1.00 1.00 N +ATOM 1465 CA LEU A 97 -7.715 15.743 -15.646 1.00 1.00 C +ATOM 1466 C LEU A 97 -8.913 16.634 -15.308 1.00 1.00 C +ATOM 1467 O LEU A 97 -8.828 17.856 -15.401 1.00 1.00 O +ATOM 1468 CB LEU A 97 -6.731 15.571 -14.488 1.00 1.00 C +ATOM 1469 CG LEU A 97 -5.518 14.679 -14.765 1.00 1.00 C +ATOM 1470 CD1 LEU A 97 -4.240 15.303 -14.203 1.00 1.00 C +ATOM 1471 CD2 LEU A 97 -5.746 13.262 -14.235 1.00 1.00 C +ATOM 1472 H LEU A 97 -6.079 16.002 -16.910 1.00 1.00 H +ATOM 1473 HA LEU A 97 -8.084 14.753 -15.907 1.00 1.00 H +ATOM 1474 HB2 LEU A 97 -6.372 16.555 -14.192 1.00 1.00 H +ATOM 1475 HB3 LEU A 97 -7.272 15.159 -13.636 1.00 1.00 H +ATOM 1476 HG LEU A 97 -5.391 14.602 -15.845 1.00 1.00 H +ATOM 1477 HD11 LEU A 97 -4.481 15.892 -13.318 1.00 1.00 H +ATOM 1478 HD12 LEU A 97 -3.537 14.514 -13.934 1.00 1.00 H +ATOM 1479 HD13 LEU A 97 -3.787 15.948 -14.957 1.00 1.00 H +ATOM 1480 HD21 LEU A 97 -6.624 12.832 -14.715 1.00 1.00 H +ATOM 1481 HD22 LEU A 97 -4.873 12.647 -14.454 1.00 1.00 H +ATOM 1482 HD23 LEU A 97 -5.903 13.300 -13.157 1.00 1.00 H +ATOM 1483 N HIS A 98 -10.001 15.983 -14.922 1.00 1.00 N +ATOM 1484 CA HIS A 98 -11.215 16.701 -14.570 1.00 1.00 C +ATOM 1485 C HIS A 98 -11.363 16.741 -13.047 1.00 1.00 C +ATOM 1486 O HIS A 98 -11.106 17.769 -12.422 1.00 1.00 O +ATOM 1487 CB HIS A 98 -12.431 16.087 -15.266 1.00 1.00 C +ATOM 1488 CG HIS A 98 -13.701 16.145 -14.452 1.00 1.00 C +ATOM 1489 ND1 HIS A 98 -14.566 15.072 -14.333 1.00 1.00 N +ATOM 1490 CD2 HIS A 98 -14.242 17.159 -13.716 1.00 1.00 C +ATOM 1491 CE1 HIS A 98 -15.578 15.434 -13.559 1.00 1.00 C +ATOM 1492 NE2 HIS A 98 -15.377 16.728 -13.179 1.00 1.00 N +ATOM 1493 H HIS A 98 -10.062 14.988 -14.849 1.00 1.00 H +ATOM 1494 HA HIS A 98 -11.096 17.718 -14.942 1.00 1.00 H +ATOM 1495 HB2 HIS A 98 -12.593 16.604 -16.212 1.00 1.00 H +ATOM 1496 HB3 HIS A 98 -12.212 15.046 -15.506 1.00 1.00 H +ATOM 1497 HD1 HIS A 98 -14.446 14.175 -14.759 1.00 1.00 H +ATOM 1498 HD2 HIS A 98 -13.815 18.154 -13.591 1.00 1.00 H +ATOM 1499 HE1 HIS A 98 -16.424 14.807 -13.277 1.00 1.00 H +ATOM 1500 N TYR A 99 -11.776 15.610 -12.495 1.00 1.00 N +ATOM 1501 CA TYR A 99 -11.960 15.504 -11.057 1.00 1.00 C +ATOM 1502 C TYR A 99 -11.639 14.090 -10.566 1.00 1.00 C +ATOM 1503 O TYR A 99 -12.109 13.108 -11.137 1.00 1.00 O +ATOM 1504 CB TYR A 99 -13.440 15.794 -10.800 1.00 1.00 C +ATOM 1505 CG TYR A 99 -14.334 14.553 -10.828 1.00 1.00 C +ATOM 1506 CD1 TYR A 99 -14.297 13.701 -11.914 1.00 1.00 C +ATOM 1507 CD2 TYR A 99 -15.176 14.284 -9.770 1.00 1.00 C +ATOM 1508 CE1 TYR A 99 -15.136 12.531 -11.942 1.00 1.00 C +ATOM 1509 CE2 TYR A 99 -16.016 13.113 -9.796 1.00 1.00 C +ATOM 1510 CZ TYR A 99 -15.955 12.296 -10.881 1.00 1.00 C +ATOM 1511 OH TYR A 99 -16.748 11.191 -10.907 1.00 1.00 O +ATOM 1512 H TYR A 99 -11.982 14.779 -13.009 1.00 1.00 H +ATOM 1513 HA TYR A 99 -11.284 16.210 -10.578 1.00 1.00 H +ATOM 1514 HB2 TYR A 99 -13.542 16.279 -9.828 1.00 1.00 H +ATOM 1515 HB3 TYR A 99 -13.797 16.503 -11.547 1.00 1.00 H +ATOM 1516 HD1 TYR A 99 -13.631 13.914 -12.751 1.00 1.00 H +ATOM 1517 HD2 TYR A 99 -15.204 14.955 -8.912 1.00 1.00 H +ATOM 1518 HE1 TYR A 99 -15.116 11.851 -12.793 1.00 1.00 H +ATOM 1519 HE2 TYR A 99 -16.686 12.889 -8.967 1.00 1.00 H +ATOM 1520 HH TYR A 99 -17.197 11.072 -10.022 1.00 1.00 H +ATOM 1521 N PRO A 100 -10.817 14.032 -9.483 1.00 1.00 N +ATOM 1522 CA PRO A 100 -10.426 12.756 -8.909 1.00 1.00 C +ATOM 1523 C PRO A 100 -11.577 12.138 -8.113 1.00 1.00 C +ATOM 1524 O PRO A 100 -11.653 12.301 -6.896 1.00 1.00 O +ATOM 1525 CB PRO A 100 -9.209 13.067 -8.051 1.00 1.00 C +ATOM 1526 CG PRO A 100 -9.244 14.567 -7.807 1.00 1.00 C +ATOM 1527 CD PRO A 100 -10.241 15.175 -8.780 1.00 1.00 C +ATOM 1528 HA PRO A 100 -10.211 12.100 -9.633 1.00 1.00 H +ATOM 1529 HB2 PRO A 100 -9.244 12.516 -7.111 1.00 1.00 H +ATOM 1530 HB3 PRO A 100 -8.290 12.775 -8.559 1.00 1.00 H +ATOM 1531 HG2 PRO A 100 -9.536 14.778 -6.779 1.00 1.00 H +ATOM 1532 HG3 PRO A 100 -8.255 15.000 -7.953 1.00 1.00 H +ATOM 1533 HD2 PRO A 100 -11.008 15.745 -8.257 1.00 1.00 H +ATOM 1534 HD3 PRO A 100 -9.751 15.859 -9.472 1.00 1.00 H +ATOM 1535 N ALA A 101 -12.443 11.440 -8.832 1.00 1.00 N +ATOM 1536 CA ALA A 101 -13.588 10.797 -8.208 1.00 1.00 C +ATOM 1537 C ALA A 101 -13.133 10.086 -6.932 1.00 1.00 C +ATOM 1538 O ALA A 101 -11.983 9.661 -6.828 1.00 1.00 O +ATOM 1539 CB ALA A 101 -14.243 9.839 -9.206 1.00 1.00 C +ATOM 1540 H ALA A 101 -12.376 11.312 -9.821 1.00 1.00 H +ATOM 1541 HA ALA A 101 -14.303 11.574 -7.944 1.00 1.00 H +ATOM 1542 HB1 ALA A 101 -13.667 9.831 -10.132 1.00 1.00 H +ATOM 1543 HB2 ALA A 101 -14.268 8.835 -8.784 1.00 1.00 H +ATOM 1544 HB3 ALA A 101 -15.260 10.172 -9.413 1.00 1.00 H +ATOM 1545 N PRO A 102 -14.083 9.974 -5.966 1.00 1.00 N +ATOM 1546 CA PRO A 102 -13.794 9.322 -4.700 1.00 1.00 C +ATOM 1547 C PRO A 102 -13.735 7.802 -4.867 1.00 1.00 C +ATOM 1548 O PRO A 102 -14.351 7.250 -5.777 1.00 1.00 O +ATOM 1549 CB PRO A 102 -14.899 9.775 -3.761 1.00 1.00 C +ATOM 1550 CG PRO A 102 -16.020 10.286 -4.652 1.00 1.00 C +ATOM 1551 CD PRO A 102 -15.457 10.464 -6.052 1.00 1.00 C +ATOM 1552 HA PRO A 102 -12.890 9.595 -4.368 1.00 1.00 H +ATOM 1553 HB2 PRO A 102 -15.242 8.950 -3.136 1.00 1.00 H +ATOM 1554 HB3 PRO A 102 -14.546 10.558 -3.089 1.00 1.00 H +ATOM 1555 HG2 PRO A 102 -16.851 9.581 -4.661 1.00 1.00 H +ATOM 1556 HG3 PRO A 102 -16.407 11.232 -4.274 1.00 1.00 H +ATOM 1557 HD2 PRO A 102 -16.033 9.899 -6.785 1.00 1.00 H +ATOM 1558 HD3 PRO A 102 -15.485 11.509 -6.361 1.00 1.00 H +ATOM 1559 N LYS A 103 -12.989 7.169 -3.974 1.00 1.00 N +ATOM 1560 CA LYS A 103 -12.843 5.724 -4.011 1.00 1.00 C +ATOM 1561 C LYS A 103 -14.067 5.074 -3.363 1.00 1.00 C +ATOM 1562 O LYS A 103 -14.203 5.081 -2.139 1.00 1.00 O +ATOM 1563 CB LYS A 103 -11.515 5.304 -3.377 1.00 1.00 C +ATOM 1564 CG LYS A 103 -10.452 6.388 -3.560 1.00 1.00 C +ATOM 1565 CD LYS A 103 -10.629 7.109 -4.898 1.00 1.00 C +ATOM 1566 CE LYS A 103 -9.287 7.277 -5.612 1.00 1.00 C +ATOM 1567 NZ LYS A 103 -9.495 7.536 -7.054 1.00 1.00 N +ATOM 1568 H LYS A 103 -12.491 7.626 -3.236 1.00 1.00 H +ATOM 1569 HA LYS A 103 -12.808 5.426 -5.059 1.00 1.00 H +ATOM 1570 HB2 LYS A 103 -11.661 5.108 -2.314 1.00 1.00 H +ATOM 1571 HB3 LYS A 103 -11.171 4.372 -3.827 1.00 1.00 H +ATOM 1572 HG2 LYS A 103 -10.517 7.108 -2.744 1.00 1.00 H +ATOM 1573 HG3 LYS A 103 -9.459 5.941 -3.512 1.00 1.00 H +ATOM 1574 HD2 LYS A 103 -11.313 6.545 -5.531 1.00 1.00 H +ATOM 1575 HD3 LYS A 103 -11.082 8.087 -4.731 1.00 1.00 H +ATOM 1576 HE2 LYS A 103 -8.730 8.102 -5.165 1.00 1.00 H +ATOM 1577 HE3 LYS A 103 -8.683 6.379 -5.481 1.00 1.00 H +ATOM 1578 HZ1 LYS A 103 -10.210 6.930 -7.401 1.00 1.00 H +ATOM 1579 HZ2 LYS A 103 -9.772 8.488 -7.185 1.00 1.00 H +ATOM 1580 HZ3 LYS A 103 -8.643 7.365 -7.550 1.00 1.00 H +ATOM 1581 N ARG A 104 -14.927 4.529 -4.211 1.00 1.00 N +ATOM 1582 CA ARG A 104 -16.136 3.877 -3.736 1.00 1.00 C +ATOM 1583 C ARG A 104 -15.790 2.551 -3.056 1.00 1.00 C +ATOM 1584 O ARG A 104 -15.058 1.735 -3.613 1.00 1.00 O +ATOM 1585 CB ARG A 104 -17.108 3.615 -4.885 1.00 1.00 C +ATOM 1586 CG ARG A 104 -16.369 3.533 -6.222 1.00 1.00 C +ATOM 1587 CD ARG A 104 -17.232 2.856 -7.288 1.00 1.00 C +ATOM 1588 NE ARG A 104 -17.098 1.385 -7.188 1.00 1.00 N +ATOM 1589 CZ ARG A 104 -16.124 0.679 -7.778 1.00 1.00 C +ATOM 1590 NH1 ARG A 104 -15.193 1.304 -8.511 1.00 1.00 N +ATOM 1591 NH2 ARG A 104 -16.082 -0.653 -7.633 1.00 1.00 N +ATOM 1592 H ARG A 104 -14.809 4.529 -5.204 1.00 1.00 H +ATOM 1593 HA ARG A 104 -16.571 4.580 -3.025 1.00 1.00 H +ATOM 1594 HB2 ARG A 104 -17.647 2.685 -4.707 1.00 1.00 H +ATOM 1595 HB3 ARG A 104 -17.852 4.412 -4.926 1.00 1.00 H +ATOM 1596 HG2 ARG A 104 -16.096 4.537 -6.553 1.00 1.00 H +ATOM 1597 HG3 ARG A 104 -15.440 2.977 -6.095 1.00 1.00 H +ATOM 1598 HD2 ARG A 104 -18.276 3.143 -7.157 1.00 1.00 H +ATOM 1599 HD3 ARG A 104 -16.931 3.192 -8.279 1.00 1.00 H +ATOM 1600 HE ARG A 104 -17.777 0.889 -6.647 1.00 1.00 H +ATOM 1601 HH11 ARG A 104 -15.226 2.298 -8.619 1.00 1.00 H +ATOM 1602 HH12 ARG A 104 -14.467 0.776 -8.951 1.00 1.00 H +ATOM 1603 HH21 ARG A 104 -16.777 -1.119 -7.085 1.00 1.00 H +ATOM 1604 HH22 ARG A 104 -15.355 -1.179 -8.073 1.00 1.00 H +ATOM 1605 N GLY A 105 -16.335 2.375 -1.861 1.00 1.00 N +ATOM 1606 CA GLY A 105 -16.095 1.160 -1.099 1.00 1.00 C +ATOM 1607 C GLY A 105 -17.410 0.541 -0.626 1.00 1.00 C +ATOM 1608 O GLY A 105 -18.445 1.207 -0.610 1.00 1.00 O +ATOM 1609 H GLY A 105 -16.931 3.042 -1.414 1.00 1.00 H +ATOM 1610 HA2 GLY A 105 -15.551 0.444 -1.715 1.00 1.00 H +ATOM 1611 HA3 GLY A 105 -15.465 1.386 -0.239 1.00 1.00 H +ATOM 1612 N ILE A 106 -17.330 -0.728 -0.253 1.00 1.00 N +ATOM 1613 CA ILE A 106 -18.501 -1.446 0.220 1.00 1.00 C +ATOM 1614 C ILE A 106 -18.141 -2.223 1.487 1.00 1.00 C +ATOM 1615 O ILE A 106 -18.145 -3.454 1.488 1.00 1.00 O +ATOM 1616 CB ILE A 106 -19.079 -2.321 -0.895 1.00 1.00 C +ATOM 1617 CG1 ILE A 106 -19.392 -1.488 -2.140 1.00 1.00 C +ATOM 1618 CG2 ILE A 106 -20.301 -3.099 -0.404 1.00 1.00 C +ATOM 1619 CD1 ILE A 106 -18.601 -1.990 -3.349 1.00 1.00 C +ATOM 1620 H ILE A 106 -16.484 -1.263 -0.270 1.00 1.00 H +ATOM 1621 HA ILE A 106 -19.258 -0.705 0.472 1.00 1.00 H +ATOM 1622 HB ILE A 106 -18.323 -3.054 -1.181 1.00 1.00 H +ATOM 1623 HG12 ILE A 106 -20.460 -1.537 -2.354 1.00 1.00 H +ATOM 1624 HG13 ILE A 106 -19.151 -0.442 -1.952 1.00 1.00 H +ATOM 1625 HG21 ILE A 106 -21.025 -2.406 0.025 1.00 1.00 H +ATOM 1626 HG22 ILE A 106 -20.756 -3.629 -1.241 1.00 1.00 H +ATOM 1627 HG23 ILE A 106 -19.992 -3.818 0.356 1.00 1.00 H +ATOM 1628 HD11 ILE A 106 -18.787 -3.055 -3.490 1.00 1.00 H +ATOM 1629 HD12 ILE A 106 -18.915 -1.446 -4.240 1.00 1.00 H +ATOM 1630 HD13 ILE A 106 -17.536 -1.827 -3.180 1.00 1.00 H +ATOM 1631 N HIS A 107 -17.838 -1.473 2.536 1.00 1.00 N +ATOM 1632 CA HIS A 107 -17.476 -2.076 3.808 1.00 1.00 C +ATOM 1633 C HIS A 107 -16.605 -3.310 3.562 1.00 1.00 C +ATOM 1634 O HIS A 107 -16.955 -4.414 3.976 1.00 1.00 O +ATOM 1635 CB HIS A 107 -18.724 -2.387 4.636 1.00 1.00 C +ATOM 1636 CG HIS A 107 -19.883 -2.920 3.825 1.00 1.00 C +ATOM 1637 ND1 HIS A 107 -21.040 -2.195 3.606 1.00 1.00 N +ATOM 1638 CD2 HIS A 107 -20.047 -4.112 3.185 1.00 1.00 C +ATOM 1639 CE1 HIS A 107 -21.859 -2.928 2.866 1.00 1.00 C +ATOM 1640 NE2 HIS A 107 -21.242 -4.116 2.606 1.00 1.00 N +ATOM 1641 H HIS A 107 -17.836 -0.473 2.527 1.00 1.00 H +ATOM 1642 HA HIS A 107 -16.893 -1.333 4.352 1.00 1.00 H +ATOM 1643 HB2 HIS A 107 -18.467 -3.116 5.405 1.00 1.00 H +ATOM 1644 HB3 HIS A 107 -19.042 -1.480 5.151 1.00 1.00 H +ATOM 1645 HD1 HIS A 107 -21.227 -1.274 3.948 1.00 1.00 H +ATOM 1646 HD2 HIS A 107 -19.321 -4.925 3.153 1.00 1.00 H +ATOM 1647 HE1 HIS A 107 -22.851 -2.633 2.524 1.00 1.00 H +ATOM 1648 N ARG A 108 -15.488 -3.081 2.887 1.00 1.00 N +ATOM 1649 CA ARG A 108 -14.564 -4.160 2.581 1.00 1.00 C +ATOM 1650 C ARG A 108 -14.146 -4.880 3.864 1.00 1.00 C +ATOM 1651 O ARG A 108 -13.368 -4.349 4.655 1.00 1.00 O +ATOM 1652 CB ARG A 108 -13.316 -3.631 1.871 1.00 1.00 C +ATOM 1653 CG ARG A 108 -13.676 -3.007 0.521 1.00 1.00 C +ATOM 1654 CD ARG A 108 -14.068 -4.085 -0.493 1.00 1.00 C +ATOM 1655 NE ARG A 108 -12.870 -4.837 -0.923 1.00 1.00 N +ATOM 1656 CZ ARG A 108 -12.534 -5.048 -2.202 1.00 1.00 C +ATOM 1657 NH1 ARG A 108 -13.304 -4.564 -3.185 1.00 1.00 N +ATOM 1658 NH2 ARG A 108 -11.427 -5.744 -2.499 1.00 1.00 N +ATOM 1659 H ARG A 108 -15.211 -2.180 2.554 1.00 1.00 H +ATOM 1660 HA ARG A 108 -15.122 -4.825 1.922 1.00 1.00 H +ATOM 1661 HB2 ARG A 108 -12.823 -2.890 2.499 1.00 1.00 H +ATOM 1662 HB3 ARG A 108 -12.606 -4.445 1.723 1.00 1.00 H +ATOM 1663 HG2 ARG A 108 -14.499 -2.305 0.649 1.00 1.00 H +ATOM 1664 HG3 ARG A 108 -12.827 -2.438 0.142 1.00 1.00 H +ATOM 1665 HD2 ARG A 108 -14.797 -4.763 -0.049 1.00 1.00 H +ATOM 1666 HD3 ARG A 108 -14.549 -3.624 -1.356 1.00 1.00 H +ATOM 1667 HE ARG A 108 -12.273 -5.212 -0.213 1.00 1.00 H +ATOM 1668 HH11 ARG A 108 -14.130 -4.045 -2.965 1.00 1.00 H +ATOM 1669 HH12 ARG A 108 -13.054 -4.721 -4.141 1.00 1.00 H +ATOM 1670 HH21 ARG A 108 -10.852 -6.104 -1.764 1.00 1.00 H +ATOM 1671 HH22 ARG A 108 -11.175 -5.901 -3.453 1.00 1.00 H +ATOM 1672 N ASP A 109 -14.681 -6.082 4.032 1.00 1.00 N +ATOM 1673 CA ASP A 109 -14.373 -6.881 5.205 1.00 1.00 C +ATOM 1674 C ASP A 109 -13.166 -7.772 4.907 1.00 1.00 C +ATOM 1675 O ASP A 109 -13.208 -8.946 5.332 1.00 1.00 O +ATOM 1676 CB ASP A 109 -15.547 -7.787 5.578 1.00 1.00 C +ATOM 1677 CG ASP A 109 -16.780 -7.059 6.121 1.00 1.00 C +ATOM 1678 OD1 ASP A 109 -17.606 -6.542 5.354 1.00 1.00 O +ATOM 1679 OD2 ASP A 109 -16.875 -7.036 7.407 1.00 1.00 O +ATOM 1680 OXT ASP A 109 -12.205 -7.330 4.277 1.00 1.00 O +ATOM 1681 H ASP A 109 -15.314 -6.506 3.384 1.00 1.00 H +ATOM 1682 HA ASP A 109 -14.175 -6.160 5.998 1.00 1.00 H +ATOM 1683 HB2 ASP A 109 -15.841 -8.358 4.696 1.00 1.00 H +ATOM 1684 HB3 ASP A 109 -15.211 -8.506 6.324 1.00 1.00 H +TER 1685 ASP A 109 +ENDMDL +MODEL 16 +ATOM 1 N GLY A 1 -0.396 7.353 4.366 1.00 1.00 N +ATOM 2 CA GLY A 1 -1.630 7.156 5.106 1.00 1.00 C +ATOM 3 C GLY A 1 -2.043 5.683 5.101 1.00 1.00 C +ATOM 4 O GLY A 1 -2.477 5.159 4.076 1.00 1.00 O +ATOM 5 H1 GLY A 1 -0.367 6.714 3.579 1.00 1.00 H +ATOM 6 H2 GLY A 1 -0.354 8.308 4.026 1.00 1.00 H +ATOM 7 H3 GLY A 1 0.395 7.176 4.975 1.00 1.00 H +ATOM 8 HA2 GLY A 1 -1.502 7.498 6.134 1.00 1.00 H +ATOM 9 HA3 GLY A 1 -2.423 7.761 4.666 1.00 1.00 H +ATOM 10 N SER A 2 -1.893 5.055 6.259 1.00 1.00 N +ATOM 11 CA SER A 2 -2.245 3.653 6.400 1.00 1.00 C +ATOM 12 C SER A 2 -3.766 3.499 6.478 1.00 1.00 C +ATOM 13 O SER A 2 -4.320 3.320 7.562 1.00 1.00 O +ATOM 14 CB SER A 2 -1.586 3.042 7.638 1.00 1.00 C +ATOM 15 OG SER A 2 -1.927 3.747 8.828 1.00 1.00 O +ATOM 16 H SER A 2 -1.541 5.487 7.088 1.00 1.00 H +ATOM 17 HA SER A 2 -1.858 3.166 5.505 1.00 1.00 H +ATOM 18 HB2 SER A 2 -1.892 1.999 7.735 1.00 1.00 H +ATOM 19 HB3 SER A 2 -0.504 3.045 7.512 1.00 1.00 H +ATOM 20 HG SER A 2 -2.913 3.909 8.859 1.00 1.00 H +ATOM 21 N GLY A 3 -4.397 3.577 5.315 1.00 1.00 N +ATOM 22 CA GLY A 3 -5.841 3.449 5.239 1.00 1.00 C +ATOM 23 C GLY A 3 -6.241 2.211 4.433 1.00 1.00 C +ATOM 24 O GLY A 3 -6.937 2.319 3.425 1.00 1.00 O +ATOM 25 H GLY A 3 -3.938 3.722 4.439 1.00 1.00 H +ATOM 26 HA2 GLY A 3 -6.259 3.383 6.245 1.00 1.00 H +ATOM 27 HA3 GLY A 3 -6.266 4.340 4.776 1.00 1.00 H +ATOM 28 N ASN A 4 -5.783 1.062 4.910 1.00 1.00 N +ATOM 29 CA ASN A 4 -6.084 -0.195 4.246 1.00 1.00 C +ATOM 30 C ASN A 4 -5.363 -0.241 2.897 1.00 1.00 C +ATOM 31 O ASN A 4 -4.486 -1.077 2.686 1.00 1.00 O +ATOM 32 CB ASN A 4 -7.585 -0.336 3.986 1.00 1.00 C +ATOM 33 CG ASN A 4 -8.202 -1.402 4.893 1.00 1.00 C +ATOM 34 OD1 ASN A 4 -8.603 -2.467 4.457 1.00 1.00 O +ATOM 35 ND2 ASN A 4 -8.254 -1.054 6.176 1.00 1.00 N +ATOM 36 H ASN A 4 -5.218 0.982 5.731 1.00 1.00 H +ATOM 37 HA ASN A 4 -5.737 -0.970 4.930 1.00 1.00 H +ATOM 38 HB2 ASN A 4 -8.079 0.622 4.154 1.00 1.00 H +ATOM 39 HB3 ASN A 4 -7.753 -0.601 2.941 1.00 1.00 H +ATOM 40 HD21 ASN A 4 -7.907 -0.164 6.468 1.00 1.00 H +ATOM 41 HD22 ASN A 4 -8.641 -1.685 6.849 1.00 1.00 H +ATOM 42 N SER A 5 -5.760 0.669 2.020 1.00 1.00 N +ATOM 43 CA SER A 5 -5.163 0.742 0.697 1.00 1.00 C +ATOM 44 C SER A 5 -4.407 2.063 0.538 1.00 1.00 C +ATOM 45 O SER A 5 -4.682 3.029 1.246 1.00 1.00 O +ATOM 46 CB SER A 5 -6.225 0.606 -0.396 1.00 1.00 C +ATOM 47 OG SER A 5 -6.999 1.793 -0.540 1.00 1.00 O +ATOM 48 H SER A 5 -6.474 1.344 2.200 1.00 1.00 H +ATOM 49 HA SER A 5 -4.476 -0.101 0.643 1.00 1.00 H +ATOM 50 HB2 SER A 5 -5.743 0.370 -1.344 1.00 1.00 H +ATOM 51 HB3 SER A 5 -6.885 -0.230 -0.158 1.00 1.00 H +ATOM 52 HG SER A 5 -7.647 1.690 -1.295 1.00 1.00 H +ATOM 53 N LEU A 6 -3.466 2.061 -0.395 1.00 1.00 N +ATOM 54 CA LEU A 6 -2.668 3.246 -0.657 1.00 1.00 C +ATOM 55 C LEU A 6 -3.476 4.223 -1.512 1.00 1.00 C +ATOM 56 O LEU A 6 -3.208 4.380 -2.704 1.00 1.00 O +ATOM 57 CB LEU A 6 -1.321 2.859 -1.272 1.00 1.00 C +ATOM 58 CG LEU A 6 -0.118 2.894 -0.326 1.00 1.00 C +ATOM 59 CD1 LEU A 6 0.141 4.314 0.179 1.00 1.00 C +ATOM 60 CD2 LEU A 6 -0.294 1.900 0.823 1.00 1.00 C +ATOM 61 H LEU A 6 -3.249 1.270 -0.968 1.00 1.00 H +ATOM 62 HA LEU A 6 -2.460 3.718 0.304 1.00 1.00 H +ATOM 63 HB2 LEU A 6 -1.406 1.853 -1.682 1.00 1.00 H +ATOM 64 HB3 LEU A 6 -1.120 3.529 -2.108 1.00 1.00 H +ATOM 65 HG LEU A 6 0.765 2.586 -0.887 1.00 1.00 H +ATOM 66 HD11 LEU A 6 -0.747 4.925 0.017 1.00 1.00 H +ATOM 67 HD12 LEU A 6 0.371 4.284 1.244 1.00 1.00 H +ATOM 68 HD13 LEU A 6 0.984 4.746 -0.362 1.00 1.00 H +ATOM 69 HD21 LEU A 6 -1.179 1.289 0.641 1.00 1.00 H +ATOM 70 HD22 LEU A 6 0.584 1.257 0.885 1.00 1.00 H +ATOM 71 HD23 LEU A 6 -0.413 2.443 1.759 1.00 1.00 H +ATOM 72 N GLU A 7 -4.450 4.853 -0.873 1.00 1.00 N +ATOM 73 CA GLU A 7 -5.300 5.811 -1.560 1.00 1.00 C +ATOM 74 C GLU A 7 -4.550 7.127 -1.775 1.00 1.00 C +ATOM 75 O GLU A 7 -4.861 8.133 -1.141 1.00 1.00 O +ATOM 76 CB GLU A 7 -6.602 6.041 -0.791 1.00 1.00 C +ATOM 77 CG GLU A 7 -7.809 5.557 -1.597 1.00 1.00 C +ATOM 78 CD GLU A 7 -8.651 4.571 -0.787 1.00 1.00 C +ATOM 79 OE1 GLU A 7 -9.109 5.033 0.327 1.00 1.00 O +ATOM 80 OE2 GLU A 7 -8.844 3.424 -1.215 1.00 1.00 O +ATOM 81 H GLU A 7 -4.662 4.720 0.095 1.00 1.00 H +ATOM 82 HA GLU A 7 -5.530 5.355 -2.524 1.00 1.00 H +ATOM 83 HB2 GLU A 7 -6.563 5.514 0.163 1.00 1.00 H +ATOM 84 HB3 GLU A 7 -6.712 7.101 -0.565 1.00 1.00 H +ATOM 85 HG2 GLU A 7 -8.421 6.411 -1.889 1.00 1.00 H +ATOM 86 HG3 GLU A 7 -7.468 5.081 -2.517 1.00 1.00 H +ATOM 87 N LYS A 8 -3.577 7.077 -2.672 1.00 1.00 N +ATOM 88 CA LYS A 8 -2.780 8.254 -2.979 1.00 1.00 C +ATOM 89 C LYS A 8 -3.702 9.467 -3.114 1.00 1.00 C +ATOM 90 O LYS A 8 -4.055 10.096 -2.119 1.00 1.00 O +ATOM 91 CB LYS A 8 -1.908 8.004 -4.211 1.00 1.00 C +ATOM 92 CG LYS A 8 -1.245 9.298 -4.685 1.00 1.00 C +ATOM 93 CD LYS A 8 -0.754 10.130 -3.500 1.00 1.00 C +ATOM 94 CE LYS A 8 0.334 9.388 -2.722 1.00 1.00 C +ATOM 95 NZ LYS A 8 -0.085 9.179 -1.317 1.00 1.00 N +ATOM 96 H LYS A 8 -3.329 6.254 -3.184 1.00 1.00 H +ATOM 97 HA LYS A 8 -2.108 8.421 -2.138 1.00 1.00 H +ATOM 98 HB2 LYS A 8 -1.142 7.264 -3.976 1.00 1.00 H +ATOM 99 HB3 LYS A 8 -2.516 7.586 -5.013 1.00 1.00 H +ATOM 100 HG2 LYS A 8 -0.406 9.063 -5.342 1.00 1.00 H +ATOM 101 HG3 LYS A 8 -1.956 9.879 -5.274 1.00 1.00 H +ATOM 102 HD2 LYS A 8 -0.366 11.084 -3.856 1.00 1.00 H +ATOM 103 HD3 LYS A 8 -1.592 10.354 -2.838 1.00 1.00 H +ATOM 104 HE2 LYS A 8 0.536 8.427 -3.195 1.00 1.00 H +ATOM 105 HE3 LYS A 8 1.262 9.958 -2.749 1.00 1.00 H +ATOM 106 HZ1 LYS A 8 -0.894 9.748 -1.118 1.00 1.00 H +ATOM 107 HZ2 LYS A 8 -0.316 8.205 -1.177 1.00 1.00 H +ATOM 108 HZ3 LYS A 8 0.647 9.427 -0.662 1.00 1.00 H +ATOM 109 N HIS A 9 -4.063 9.760 -4.354 1.00 1.00 N +ATOM 110 CA HIS A 9 -4.938 10.887 -4.633 1.00 1.00 C +ATOM 111 C HIS A 9 -6.334 10.377 -4.994 1.00 1.00 C +ATOM 112 O HIS A 9 -6.612 9.184 -4.881 1.00 1.00 O +ATOM 113 CB HIS A 9 -4.337 11.785 -5.715 1.00 1.00 C +ATOM 114 CG HIS A 9 -3.245 12.702 -5.217 1.00 1.00 C +ATOM 115 ND1 HIS A 9 -2.706 12.603 -3.946 1.00 1.00 N +ATOM 116 CD2 HIS A 9 -2.596 13.732 -5.832 1.00 1.00 C +ATOM 117 CE1 HIS A 9 -1.777 13.537 -3.812 1.00 1.00 C +ATOM 118 NE2 HIS A 9 -1.711 14.237 -4.982 1.00 1.00 N +ATOM 119 H HIS A 9 -3.773 9.242 -5.159 1.00 1.00 H +ATOM 120 HA HIS A 9 -5.000 11.469 -3.713 1.00 1.00 H +ATOM 121 HB2 HIS A 9 -3.936 11.160 -6.512 1.00 1.00 H +ATOM 122 HB3 HIS A 9 -5.131 12.389 -6.154 1.00 1.00 H +ATOM 123 HD1 HIS A 9 -2.974 11.939 -3.248 1.00 1.00 H +ATOM 124 HD2 HIS A 9 -2.775 14.082 -6.848 1.00 1.00 H +ATOM 125 HE1 HIS A 9 -1.172 13.716 -2.923 1.00 1.00 H +ATOM 126 N SER A 10 -7.177 11.306 -5.420 1.00 1.00 N +ATOM 127 CA SER A 10 -8.538 10.966 -5.797 1.00 1.00 C +ATOM 128 C SER A 10 -8.570 10.464 -7.242 1.00 1.00 C +ATOM 129 O SER A 10 -9.618 10.478 -7.885 1.00 1.00 O +ATOM 130 CB SER A 10 -9.472 12.166 -5.633 1.00 1.00 C +ATOM 131 OG SER A 10 -10.433 11.956 -4.602 1.00 1.00 O +ATOM 132 H SER A 10 -6.944 12.274 -5.508 1.00 1.00 H +ATOM 133 HA SER A 10 -8.839 10.175 -5.111 1.00 1.00 H +ATOM 134 HB2 SER A 10 -8.883 13.055 -5.404 1.00 1.00 H +ATOM 135 HB3 SER A 10 -9.986 12.358 -6.574 1.00 1.00 H +ATOM 136 HG SER A 10 -10.021 11.445 -3.848 1.00 1.00 H +ATOM 137 N TRP A 11 -7.409 10.029 -7.710 1.00 1.00 N +ATOM 138 CA TRP A 11 -7.291 9.523 -9.066 1.00 1.00 C +ATOM 139 C TRP A 11 -6.457 8.240 -9.022 1.00 1.00 C +ATOM 140 O TRP A 11 -5.985 7.766 -10.054 1.00 1.00 O +ATOM 141 CB TRP A 11 -6.705 10.584 -9.999 1.00 1.00 C +ATOM 142 CG TRP A 11 -5.570 11.402 -9.376 1.00 1.00 C +ATOM 143 CD1 TRP A 11 -5.581 12.698 -9.032 1.00 1.00 C +ATOM 144 CD2 TRP A 11 -4.253 10.924 -9.035 1.00 1.00 C +ATOM 145 NE1 TRP A 11 -4.370 13.087 -8.498 1.00 1.00 N +ATOM 146 CE2 TRP A 11 -3.537 11.975 -8.499 1.00 1.00 C +ATOM 147 CE3 TRP A 11 -3.684 9.645 -9.175 1.00 1.00 C +ATOM 148 CZ2 TRP A 11 -2.213 11.854 -8.060 1.00 1.00 C +ATOM 149 CZ3 TRP A 11 -2.360 9.542 -8.731 1.00 1.00 C +ATOM 150 CH2 TRP A 11 -1.626 10.591 -8.189 1.00 1.00 C +ATOM 151 H TRP A 11 -6.561 10.019 -7.179 1.00 1.00 H +ATOM 152 HA TRP A 11 -8.295 9.302 -9.428 1.00 1.00 H +ATOM 153 HB2 TRP A 11 -6.333 10.097 -10.900 1.00 1.00 H +ATOM 154 HB3 TRP A 11 -7.500 11.261 -10.307 1.00 1.00 H +ATOM 155 HD1 TRP A 11 -6.436 13.359 -9.160 1.00 1.00 H +ATOM 156 HE1 TRP A 11 -4.114 14.084 -8.139 1.00 1.00 H +ATOM 157 HE3 TRP A 11 -4.229 8.800 -9.595 1.00 1.00 H +ATOM 158 HZ2 TRP A 11 -1.668 12.700 -7.639 1.00 1.00 H +ATOM 159 HZ3 TRP A 11 -1.872 8.573 -8.818 1.00 1.00 H +ATOM 160 HH2 TRP A 11 -0.597 10.429 -7.866 1.00 1.00 H +ATOM 161 N TYR A 12 -6.301 7.716 -7.815 1.00 1.00 N +ATOM 162 CA TYR A 12 -5.532 6.499 -7.622 1.00 1.00 C +ATOM 163 C TYR A 12 -6.436 5.342 -7.194 1.00 1.00 C +ATOM 164 O TYR A 12 -6.965 5.341 -6.083 1.00 1.00 O +ATOM 165 CB TYR A 12 -4.540 6.799 -6.495 1.00 1.00 C +ATOM 166 CG TYR A 12 -3.186 6.105 -6.656 1.00 1.00 C +ATOM 167 CD1 TYR A 12 -2.464 6.261 -7.822 1.00 1.00 C +ATOM 168 CD2 TYR A 12 -2.687 5.322 -5.635 1.00 1.00 C +ATOM 169 CE1 TYR A 12 -1.190 5.608 -7.973 1.00 1.00 C +ATOM 170 CE2 TYR A 12 -1.414 4.668 -5.786 1.00 1.00 C +ATOM 171 CZ TYR A 12 -0.727 4.844 -6.948 1.00 1.00 C +ATOM 172 OH TYR A 12 0.477 4.227 -7.090 1.00 1.00 O +ATOM 173 H TYR A 12 -6.686 8.109 -6.980 1.00 1.00 H +ATOM 174 HA TYR A 12 -5.057 6.247 -8.570 1.00 1.00 H +ATOM 175 HB2 TYR A 12 -4.381 7.876 -6.443 1.00 1.00 H +ATOM 176 HB3 TYR A 12 -4.982 6.497 -5.546 1.00 1.00 H +ATOM 177 HD1 TYR A 12 -2.859 6.881 -8.628 1.00 1.00 H +ATOM 178 HD2 TYR A 12 -3.257 5.197 -4.715 1.00 1.00 H +ATOM 179 HE1 TYR A 12 -0.610 5.724 -8.887 1.00 1.00 H +ATOM 180 HE2 TYR A 12 -1.007 4.048 -4.988 1.00 1.00 H +ATOM 181 HH TYR A 12 0.374 3.401 -7.645 1.00 1.00 H +ATOM 182 N HIS A 13 -6.585 4.384 -8.096 1.00 1.00 N +ATOM 183 CA HIS A 13 -7.417 3.223 -7.826 1.00 1.00 C +ATOM 184 C HIS A 13 -6.528 2.007 -7.553 1.00 1.00 C +ATOM 185 O HIS A 13 -6.311 1.638 -6.399 1.00 1.00 O +ATOM 186 CB HIS A 13 -8.409 2.987 -8.968 1.00 1.00 C +ATOM 187 CG HIS A 13 -9.035 4.250 -9.507 1.00 1.00 C +ATOM 188 ND1 HIS A 13 -10.388 4.359 -9.780 1.00 1.00 N +ATOM 189 CD2 HIS A 13 -8.482 5.457 -9.820 1.00 1.00 C +ATOM 190 CE1 HIS A 13 -10.625 5.579 -10.236 1.00 1.00 C +ATOM 191 NE2 HIS A 13 -9.443 6.258 -10.261 1.00 1.00 N +ATOM 192 H HIS A 13 -6.151 4.391 -8.997 1.00 1.00 H +ATOM 193 HA HIS A 13 -7.991 3.452 -6.928 1.00 1.00 H +ATOM 194 HB2 HIS A 13 -7.895 2.473 -9.781 1.00 1.00 H +ATOM 195 HB3 HIS A 13 -9.197 2.323 -8.617 1.00 1.00 H +ATOM 196 HD1 HIS A 13 -11.070 3.639 -9.653 1.00 1.00 H +ATOM 197 HD2 HIS A 13 -7.427 5.718 -9.725 1.00 1.00 H +ATOM 198 HE1 HIS A 13 -11.596 5.972 -10.539 1.00 1.00 H +ATOM 199 N GLY A 14 -6.037 1.419 -8.634 1.00 1.00 N +ATOM 200 CA GLY A 14 -5.177 0.253 -8.525 1.00 1.00 C +ATOM 201 C GLY A 14 -4.500 -0.055 -9.862 1.00 1.00 C +ATOM 202 O GLY A 14 -3.804 0.791 -10.420 1.00 1.00 O +ATOM 203 H GLY A 14 -6.217 1.725 -9.569 1.00 1.00 H +ATOM 204 HA2 GLY A 14 -4.419 0.425 -7.760 1.00 1.00 H +ATOM 205 HA3 GLY A 14 -5.764 -0.607 -8.203 1.00 1.00 H +ATOM 206 N PRO A 15 -4.734 -1.304 -10.349 1.00 1.00 N +ATOM 207 CA PRO A 15 -4.154 -1.735 -11.610 1.00 1.00 C +ATOM 208 C PRO A 15 -4.883 -1.099 -12.794 1.00 1.00 C +ATOM 209 O PRO A 15 -6.044 -0.710 -12.678 1.00 1.00 O +ATOM 210 CB PRO A 15 -4.259 -3.251 -11.593 1.00 1.00 C +ATOM 211 CG PRO A 15 -5.307 -3.585 -10.543 1.00 1.00 C +ATOM 212 CD PRO A 15 -5.553 -2.333 -9.716 1.00 1.00 C +ATOM 213 HA PRO A 15 -3.204 -1.430 -11.677 1.00 1.00 H +ATOM 214 HB2 PRO A 15 -4.551 -3.634 -12.571 1.00 1.00 H +ATOM 215 HB3 PRO A 15 -3.300 -3.707 -11.346 1.00 1.00 H +ATOM 216 HG2 PRO A 15 -6.230 -3.917 -11.017 1.00 1.00 H +ATOM 217 HG3 PRO A 15 -4.963 -4.401 -9.908 1.00 1.00 H +ATOM 218 HD2 PRO A 15 -6.606 -2.058 -9.717 1.00 1.00 H +ATOM 219 HD3 PRO A 15 -5.263 -2.484 -8.675 1.00 1.00 H +ATOM 220 N VAL A 16 -4.171 -1.010 -13.909 1.00 1.00 N +ATOM 221 CA VAL A 16 -4.736 -0.426 -15.114 1.00 1.00 C +ATOM 222 C VAL A 16 -5.805 -1.365 -15.677 1.00 1.00 C +ATOM 223 O VAL A 16 -5.681 -1.849 -16.801 1.00 1.00 O +ATOM 224 CB VAL A 16 -3.623 -0.118 -16.116 1.00 1.00 C +ATOM 225 CG1 VAL A 16 -2.814 -1.375 -16.444 1.00 1.00 C +ATOM 226 CG2 VAL A 16 -4.190 0.515 -17.389 1.00 1.00 C +ATOM 227 H VAL A 16 -3.226 -1.328 -13.995 1.00 1.00 H +ATOM 228 HA VAL A 16 -5.208 0.515 -14.834 1.00 1.00 H +ATOM 229 HB VAL A 16 -2.948 0.603 -15.657 1.00 1.00 H +ATOM 230 HG11 VAL A 16 -3.495 -2.209 -16.618 1.00 1.00 H +ATOM 231 HG12 VAL A 16 -2.216 -1.201 -17.337 1.00 1.00 H +ATOM 232 HG13 VAL A 16 -2.158 -1.612 -15.607 1.00 1.00 H +ATOM 233 HG21 VAL A 16 -5.165 0.078 -17.608 1.00 1.00 H +ATOM 234 HG22 VAL A 16 -4.299 1.590 -17.241 1.00 1.00 H +ATOM 235 HG23 VAL A 16 -3.513 0.329 -18.221 1.00 1.00 H +ATOM 236 N SER A 17 -6.830 -1.595 -14.870 1.00 1.00 N +ATOM 237 CA SER A 17 -7.920 -2.467 -15.274 1.00 1.00 C +ATOM 238 C SER A 17 -8.854 -1.727 -16.233 1.00 1.00 C +ATOM 239 O SER A 17 -10.035 -1.549 -15.941 1.00 1.00 O +ATOM 240 CB SER A 17 -8.699 -2.973 -14.059 1.00 1.00 C +ATOM 241 OG SER A 17 -8.932 -4.378 -14.120 1.00 1.00 O +ATOM 242 H SER A 17 -6.924 -1.198 -13.957 1.00 1.00 H +ATOM 243 HA SER A 17 -7.444 -3.309 -15.775 1.00 1.00 H +ATOM 244 HB2 SER A 17 -8.147 -2.737 -13.149 1.00 1.00 H +ATOM 245 HB3 SER A 17 -9.653 -2.450 -13.997 1.00 1.00 H +ATOM 246 HG SER A 17 -8.079 -4.857 -14.330 1.00 1.00 H +ATOM 247 N ARG A 18 -8.289 -1.316 -17.359 1.00 1.00 N +ATOM 248 CA ARG A 18 -9.057 -0.601 -18.364 1.00 1.00 C +ATOM 249 C ARG A 18 -10.430 -1.250 -18.546 1.00 1.00 C +ATOM 250 O ARG A 18 -11.435 -0.556 -18.688 1.00 1.00 O +ATOM 251 CB ARG A 18 -8.326 -0.584 -19.708 1.00 1.00 C +ATOM 252 CG ARG A 18 -9.269 -0.972 -20.850 1.00 1.00 C +ATOM 253 CD ARG A 18 -8.614 -0.720 -22.210 1.00 1.00 C +ATOM 254 NE ARG A 18 -9.226 -1.596 -23.234 1.00 1.00 N +ATOM 255 CZ ARG A 18 -10.316 -1.273 -23.944 1.00 1.00 C +ATOM 256 NH1 ARG A 18 -10.922 -0.095 -23.744 1.00 1.00 N +ATOM 257 NH2 ARG A 18 -10.801 -2.130 -24.853 1.00 1.00 N +ATOM 258 H ARG A 18 -7.327 -1.466 -17.589 1.00 1.00 H +ATOM 259 HA ARG A 18 -9.151 0.413 -17.973 1.00 1.00 H +ATOM 260 HB2 ARG A 18 -7.916 0.409 -19.891 1.00 1.00 H +ATOM 261 HB3 ARG A 18 -7.484 -1.276 -19.676 1.00 1.00 H +ATOM 262 HG2 ARG A 18 -9.539 -2.024 -20.761 1.00 1.00 H +ATOM 263 HG3 ARG A 18 -10.192 -0.397 -20.774 1.00 1.00 H +ATOM 264 HD2 ARG A 18 -8.736 0.325 -22.493 1.00 1.00 H +ATOM 265 HD3 ARG A 18 -7.543 -0.912 -22.148 1.00 1.00 H +ATOM 266 HE ARG A 18 -8.799 -2.482 -23.408 1.00 1.00 H +ATOM 267 HH11 ARG A 18 -10.559 0.545 -23.065 1.00 1.00 H +ATOM 268 HH12 ARG A 18 -11.735 0.147 -24.273 1.00 1.00 H +ATOM 269 HH21 ARG A 18 -10.349 -3.008 -25.002 1.00 1.00 H +ATOM 270 HH22 ARG A 18 -11.614 -1.890 -25.382 1.00 1.00 H +ATOM 271 N ASN A 19 -10.428 -2.575 -18.535 1.00 1.00 N +ATOM 272 CA ASN A 19 -11.661 -3.327 -18.697 1.00 1.00 C +ATOM 273 C ASN A 19 -12.702 -2.812 -17.699 1.00 1.00 C +ATOM 274 O ASN A 19 -13.783 -2.380 -18.093 1.00 1.00 O +ATOM 275 CB ASN A 19 -11.439 -4.815 -18.422 1.00 1.00 C +ATOM 276 CG ASN A 19 -11.760 -5.654 -19.662 1.00 1.00 C +ATOM 277 OD1 ASN A 19 -12.572 -5.291 -20.496 1.00 1.00 O +ATOM 278 ND2 ASN A 19 -11.077 -6.794 -19.733 1.00 1.00 N +ATOM 279 H ASN A 19 -9.606 -3.133 -18.418 1.00 1.00 H +ATOM 280 HA ASN A 19 -11.962 -3.166 -19.733 1.00 1.00 H +ATOM 281 HB2 ASN A 19 -10.405 -4.983 -18.122 1.00 1.00 H +ATOM 282 HB3 ASN A 19 -12.068 -5.133 -17.592 1.00 1.00 H +ATOM 283 HD21 ASN A 19 -10.424 -7.032 -19.015 1.00 1.00 H +ATOM 284 HD22 ASN A 19 -11.216 -7.412 -20.507 1.00 1.00 H +ATOM 285 N ALA A 20 -12.338 -2.878 -16.427 1.00 1.00 N +ATOM 286 CA ALA A 20 -13.225 -2.423 -15.370 1.00 1.00 C +ATOM 287 C ALA A 20 -13.413 -0.909 -15.483 1.00 1.00 C +ATOM 288 O ALA A 20 -14.531 -0.409 -15.378 1.00 1.00 O +ATOM 289 CB ALA A 20 -12.659 -2.842 -14.012 1.00 1.00 C +ATOM 290 H ALA A 20 -11.456 -3.230 -16.116 1.00 1.00 H +ATOM 291 HA ALA A 20 -14.190 -2.912 -15.515 1.00 1.00 H +ATOM 292 HB1 ALA A 20 -11.572 -2.888 -14.070 1.00 1.00 H +ATOM 293 HB2 ALA A 20 -12.951 -2.113 -13.256 1.00 1.00 H +ATOM 294 HB3 ALA A 20 -13.050 -3.823 -13.742 1.00 1.00 H +ATOM 295 N ALA A 21 -12.300 -0.222 -15.694 1.00 1.00 N +ATOM 296 CA ALA A 21 -12.327 1.226 -15.820 1.00 1.00 C +ATOM 297 C ALA A 21 -13.500 1.633 -16.712 1.00 1.00 C +ATOM 298 O ALA A 21 -14.213 2.590 -16.410 1.00 1.00 O +ATOM 299 CB ALA A 21 -10.983 1.715 -16.364 1.00 1.00 C +ATOM 300 H ALA A 21 -11.393 -0.636 -15.776 1.00 1.00 H +ATOM 301 HA ALA A 21 -12.476 1.644 -14.824 1.00 1.00 H +ATOM 302 HB1 ALA A 21 -10.236 0.930 -16.248 1.00 1.00 H +ATOM 303 HB2 ALA A 21 -11.087 1.966 -17.420 1.00 1.00 H +ATOM 304 HB3 ALA A 21 -10.668 2.601 -15.811 1.00 1.00 H +ATOM 305 N GLU A 22 -13.665 0.887 -17.796 1.00 1.00 N +ATOM 306 CA GLU A 22 -14.741 1.160 -18.735 1.00 1.00 C +ATOM 307 C GLU A 22 -16.098 0.917 -18.072 1.00 1.00 C +ATOM 308 O GLU A 22 -17.011 1.729 -18.204 1.00 1.00 O +ATOM 309 CB GLU A 22 -14.588 0.315 -20.001 1.00 1.00 C +ATOM 310 CG GLU A 22 -13.860 1.095 -21.097 1.00 1.00 C +ATOM 311 CD GLU A 22 -14.814 1.464 -22.235 1.00 1.00 C +ATOM 312 OE1 GLU A 22 -15.611 2.405 -22.025 1.00 1.00 O +ATOM 313 OE2 GLU A 22 -14.725 0.797 -23.289 1.00 1.00 O +ATOM 314 H GLU A 22 -13.081 0.112 -18.035 1.00 1.00 H +ATOM 315 HA GLU A 22 -14.639 2.213 -18.994 1.00 1.00 H +ATOM 316 HB2 GLU A 22 -14.038 -0.597 -19.770 1.00 1.00 H +ATOM 317 HB3 GLU A 22 -15.572 0.010 -20.360 1.00 1.00 H +ATOM 318 HG2 GLU A 22 -13.424 2.000 -20.675 1.00 1.00 H +ATOM 319 HG3 GLU A 22 -13.036 0.498 -21.488 1.00 1.00 H +ATOM 320 N TYR A 23 -16.187 -0.207 -17.375 1.00 1.00 N +ATOM 321 CA TYR A 23 -17.417 -0.569 -16.691 1.00 1.00 C +ATOM 322 C TYR A 23 -17.636 0.307 -15.455 1.00 1.00 C +ATOM 323 O TYR A 23 -18.617 1.044 -15.377 1.00 1.00 O +ATOM 324 CB TYR A 23 -17.242 -2.022 -16.247 1.00 1.00 C +ATOM 325 CG TYR A 23 -18.455 -2.598 -15.514 1.00 1.00 C +ATOM 326 CD1 TYR A 23 -19.711 -2.505 -16.079 1.00 1.00 C +ATOM 327 CD2 TYR A 23 -18.293 -3.214 -14.290 1.00 1.00 C +ATOM 328 CE1 TYR A 23 -20.852 -3.048 -15.390 1.00 1.00 C +ATOM 329 CE2 TYR A 23 -19.436 -3.758 -13.601 1.00 1.00 C +ATOM 330 CZ TYR A 23 -20.659 -3.647 -14.185 1.00 1.00 C +ATOM 331 OH TYR A 23 -21.738 -4.161 -13.533 1.00 1.00 O +ATOM 332 H TYR A 23 -15.439 -0.863 -17.272 1.00 1.00 H +ATOM 333 HA TYR A 23 -18.244 -0.417 -17.385 1.00 1.00 H +ATOM 334 HB2 TYR A 23 -17.033 -2.636 -17.123 1.00 1.00 H +ATOM 335 HB3 TYR A 23 -16.371 -2.089 -15.595 1.00 1.00 H +ATOM 336 HD1 TYR A 23 -19.838 -2.018 -17.047 1.00 1.00 H +ATOM 337 HD2 TYR A 23 -17.302 -3.288 -13.844 1.00 1.00 H +ATOM 338 HE1 TYR A 23 -21.850 -2.981 -15.825 1.00 1.00 H +ATOM 339 HE2 TYR A 23 -19.322 -4.245 -12.632 1.00 1.00 H +ATOM 340 HH TYR A 23 -22.566 -3.673 -13.809 1.00 1.00 H +ATOM 341 N LEU A 24 -16.703 0.200 -14.520 1.00 1.00 N +ATOM 342 CA LEU A 24 -16.781 0.972 -13.293 1.00 1.00 C +ATOM 343 C LEU A 24 -17.173 2.413 -13.626 1.00 1.00 C +ATOM 344 O LEU A 24 -17.740 3.115 -12.790 1.00 1.00 O +ATOM 345 CB LEU A 24 -15.475 0.858 -12.504 1.00 1.00 C +ATOM 346 CG LEU A 24 -15.489 1.455 -11.094 1.00 1.00 C +ATOM 347 CD1 LEU A 24 -15.287 0.368 -10.037 1.00 1.00 C +ATOM 348 CD2 LEU A 24 -14.458 2.578 -10.965 1.00 1.00 C +ATOM 349 H LEU A 24 -15.907 -0.401 -14.592 1.00 1.00 H +ATOM 350 HA LEU A 24 -17.569 0.533 -12.680 1.00 1.00 H +ATOM 351 HB2 LEU A 24 -15.212 -0.197 -12.427 1.00 1.00 H +ATOM 352 HB3 LEU A 24 -14.685 1.344 -13.075 1.00 1.00 H +ATOM 353 HG LEU A 24 -16.470 1.896 -10.919 1.00 1.00 H +ATOM 354 HD11 LEU A 24 -15.378 -0.614 -10.503 1.00 1.00 H +ATOM 355 HD12 LEU A 24 -14.297 0.471 -9.594 1.00 1.00 H +ATOM 356 HD13 LEU A 24 -16.045 0.471 -9.260 1.00 1.00 H +ATOM 357 HD21 LEU A 24 -13.476 2.205 -11.253 1.00 1.00 H +ATOM 358 HD22 LEU A 24 -14.739 3.405 -11.618 1.00 1.00 H +ATOM 359 HD23 LEU A 24 -14.427 2.925 -9.933 1.00 1.00 H +ATOM 360 N LEU A 25 -16.855 2.812 -14.849 1.00 1.00 N +ATOM 361 CA LEU A 25 -17.168 4.156 -15.303 1.00 1.00 C +ATOM 362 C LEU A 25 -18.639 4.459 -15.016 1.00 1.00 C +ATOM 363 O LEU A 25 -19.503 4.211 -15.855 1.00 1.00 O +ATOM 364 CB LEU A 25 -16.780 4.328 -16.774 1.00 1.00 C +ATOM 365 CG LEU A 25 -16.392 5.743 -17.204 1.00 1.00 C +ATOM 366 CD1 LEU A 25 -16.722 6.761 -16.109 1.00 1.00 C +ATOM 367 CD2 LEU A 25 -14.920 5.806 -17.619 1.00 1.00 C +ATOM 368 H LEU A 25 -16.393 2.234 -15.522 1.00 1.00 H +ATOM 369 HA LEU A 25 -16.552 4.847 -14.727 1.00 1.00 H +ATOM 370 HB2 LEU A 25 -15.945 3.662 -16.989 1.00 1.00 H +ATOM 371 HB3 LEU A 25 -17.617 3.999 -17.390 1.00 1.00 H +ATOM 372 HG LEU A 25 -16.985 6.010 -18.079 1.00 1.00 H +ATOM 373 HD11 LEU A 25 -17.725 6.568 -15.726 1.00 1.00 H +ATOM 374 HD12 LEU A 25 -16.000 6.666 -15.297 1.00 1.00 H +ATOM 375 HD13 LEU A 25 -16.676 7.768 -16.522 1.00 1.00 H +ATOM 376 HD21 LEU A 25 -14.425 4.876 -17.342 1.00 1.00 H +ATOM 377 HD22 LEU A 25 -14.852 5.946 -18.698 1.00 1.00 H +ATOM 378 HD23 LEU A 25 -14.436 6.641 -17.114 1.00 1.00 H +ATOM 379 N SER A 26 -18.879 4.988 -13.826 1.00 1.00 N +ATOM 380 CA SER A 26 -20.232 5.327 -13.416 1.00 1.00 C +ATOM 381 C SER A 26 -20.298 6.793 -12.988 1.00 1.00 C +ATOM 382 O SER A 26 -19.441 7.593 -13.364 1.00 1.00 O +ATOM 383 CB SER A 26 -20.706 4.420 -12.277 1.00 1.00 C +ATOM 384 OG SER A 26 -22.100 4.567 -12.024 1.00 1.00 O +ATOM 385 H SER A 26 -18.171 5.185 -13.148 1.00 1.00 H +ATOM 386 HA SER A 26 -20.852 5.157 -14.297 1.00 1.00 H +ATOM 387 HB2 SER A 26 -20.490 3.381 -12.529 1.00 1.00 H +ATOM 388 HB3 SER A 26 -20.146 4.652 -11.373 1.00 1.00 H +ATOM 389 HG SER A 26 -22.603 4.605 -12.888 1.00 1.00 H +ATOM 390 N SER A 27 -21.323 7.105 -12.208 1.00 1.00 N +ATOM 391 CA SER A 27 -21.511 8.461 -11.725 1.00 1.00 C +ATOM 392 C SER A 27 -22.119 9.330 -12.829 1.00 1.00 C +ATOM 393 O SER A 27 -23.163 9.951 -12.630 1.00 1.00 O +ATOM 394 CB SER A 27 -20.189 9.063 -11.243 1.00 1.00 C +ATOM 395 OG SER A 27 -19.409 8.122 -10.512 1.00 1.00 O +ATOM 396 H SER A 27 -22.015 6.449 -11.906 1.00 1.00 H +ATOM 397 HA SER A 27 -22.197 8.376 -10.883 1.00 1.00 H +ATOM 398 HB2 SER A 27 -19.618 9.418 -12.101 1.00 1.00 H +ATOM 399 HB3 SER A 27 -20.392 9.931 -10.617 1.00 1.00 H +ATOM 400 HG SER A 27 -19.445 8.333 -9.535 1.00 1.00 H +ATOM 401 N GLY A 28 -21.440 9.347 -13.966 1.00 1.00 N +ATOM 402 CA GLY A 28 -21.900 10.128 -15.101 1.00 1.00 C +ATOM 403 C GLY A 28 -21.638 11.619 -14.882 1.00 1.00 C +ATOM 404 O GLY A 28 -22.547 12.369 -14.532 1.00 1.00 O +ATOM 405 H GLY A 28 -20.592 8.838 -14.120 1.00 1.00 H +ATOM 406 HA2 GLY A 28 -21.393 9.795 -16.006 1.00 1.00 H +ATOM 407 HA3 GLY A 28 -22.967 9.961 -15.253 1.00 1.00 H +ATOM 408 N ILE A 29 -20.389 12.005 -15.098 1.00 1.00 N +ATOM 409 CA ILE A 29 -19.995 13.394 -14.928 1.00 1.00 C +ATOM 410 C ILE A 29 -19.752 14.021 -16.302 1.00 1.00 C +ATOM 411 O ILE A 29 -19.869 13.349 -17.325 1.00 1.00 O +ATOM 412 CB ILE A 29 -18.797 13.499 -13.983 1.00 1.00 C +ATOM 413 CG1 ILE A 29 -18.163 12.127 -13.747 1.00 1.00 C +ATOM 414 CG2 ILE A 29 -19.191 14.182 -12.672 1.00 1.00 C +ATOM 415 CD1 ILE A 29 -17.046 12.211 -12.704 1.00 1.00 C +ATOM 416 H ILE A 29 -19.655 11.389 -15.382 1.00 1.00 H +ATOM 417 HA ILE A 29 -20.827 13.914 -14.453 1.00 1.00 H +ATOM 418 HB ILE A 29 -18.041 14.126 -14.457 1.00 1.00 H +ATOM 419 HG12 ILE A 29 -18.925 11.423 -13.413 1.00 1.00 H +ATOM 420 HG13 ILE A 29 -17.760 11.742 -14.684 1.00 1.00 H +ATOM 421 HG21 ILE A 29 -20.277 14.183 -12.574 1.00 1.00 H +ATOM 422 HG22 ILE A 29 -18.752 13.640 -11.833 1.00 1.00 H +ATOM 423 HG23 ILE A 29 -18.825 15.208 -12.672 1.00 1.00 H +ATOM 424 HD11 ILE A 29 -16.642 13.223 -12.686 1.00 1.00 H +ATOM 425 HD12 ILE A 29 -17.449 11.963 -11.720 1.00 1.00 H +ATOM 426 HD13 ILE A 29 -16.255 11.507 -12.960 1.00 1.00 H +ATOM 427 N ASN A 30 -19.416 15.303 -16.280 1.00 1.00 N +ATOM 428 CA ASN A 30 -19.155 16.029 -17.513 1.00 1.00 C +ATOM 429 C ASN A 30 -17.777 15.635 -18.048 1.00 1.00 C +ATOM 430 O ASN A 30 -17.332 16.159 -19.069 1.00 1.00 O +ATOM 431 CB ASN A 30 -19.154 17.539 -17.270 1.00 1.00 C +ATOM 432 CG ASN A 30 -20.486 18.163 -17.692 1.00 1.00 C +ATOM 433 OD1 ASN A 30 -21.477 18.112 -16.981 1.00 1.00 O +ATOM 434 ND2 ASN A 30 -20.456 18.753 -18.884 1.00 1.00 N +ATOM 435 H ASN A 30 -19.322 15.844 -15.444 1.00 1.00 H +ATOM 436 HA ASN A 30 -19.963 15.746 -18.187 1.00 1.00 H +ATOM 437 HB2 ASN A 30 -18.970 17.743 -16.216 1.00 1.00 H +ATOM 438 HB3 ASN A 30 -18.341 18.000 -17.830 1.00 1.00 H +ATOM 439 HD21 ASN A 30 -19.609 18.759 -19.415 1.00 1.00 H +ATOM 440 HD22 ASN A 30 -21.278 19.190 -19.246 1.00 1.00 H +ATOM 441 N GLY A 31 -17.142 14.716 -17.338 1.00 1.00 N +ATOM 442 CA GLY A 31 -15.823 14.246 -17.730 1.00 1.00 C +ATOM 443 C GLY A 31 -14.904 14.114 -16.514 1.00 1.00 C +ATOM 444 O GLY A 31 -14.845 15.012 -15.676 1.00 1.00 O +ATOM 445 H GLY A 31 -17.510 14.295 -16.508 1.00 1.00 H +ATOM 446 HA2 GLY A 31 -15.911 13.282 -18.230 1.00 1.00 H +ATOM 447 HA3 GLY A 31 -15.385 14.939 -18.449 1.00 1.00 H +ATOM 448 N SER A 32 -14.208 12.989 -16.458 1.00 1.00 N +ATOM 449 CA SER A 32 -13.294 12.728 -15.359 1.00 1.00 C +ATOM 450 C SER A 32 -12.250 11.693 -15.781 1.00 1.00 C +ATOM 451 O SER A 32 -12.495 10.890 -16.681 1.00 1.00 O +ATOM 452 CB SER A 32 -14.047 12.246 -14.117 1.00 1.00 C +ATOM 453 OG SER A 32 -14.530 10.914 -14.270 1.00 1.00 O +ATOM 454 H SER A 32 -14.261 12.263 -17.144 1.00 1.00 H +ATOM 455 HA SER A 32 -12.818 13.685 -15.145 1.00 1.00 H +ATOM 456 HB2 SER A 32 -13.389 12.297 -13.251 1.00 1.00 H +ATOM 457 HB3 SER A 32 -14.886 12.915 -13.920 1.00 1.00 H +ATOM 458 HG SER A 32 -14.779 10.747 -15.224 1.00 1.00 H +ATOM 459 N PHE A 33 -11.109 11.743 -15.111 1.00 1.00 N +ATOM 460 CA PHE A 33 -10.027 10.818 -15.405 1.00 1.00 C +ATOM 461 C PHE A 33 -9.773 9.877 -14.225 1.00 1.00 C +ATOM 462 O PHE A 33 -10.343 10.056 -13.149 1.00 1.00 O +ATOM 463 CB PHE A 33 -8.773 11.660 -15.648 1.00 1.00 C +ATOM 464 CG PHE A 33 -8.681 12.909 -14.768 1.00 1.00 C +ATOM 465 CD1 PHE A 33 -9.621 13.885 -14.871 1.00 1.00 C +ATOM 466 CD2 PHE A 33 -7.658 13.042 -13.882 1.00 1.00 C +ATOM 467 CE1 PHE A 33 -9.536 15.043 -14.055 1.00 1.00 C +ATOM 468 CE2 PHE A 33 -7.572 14.201 -13.065 1.00 1.00 C +ATOM 469 CZ PHE A 33 -8.513 15.176 -13.169 1.00 1.00 C +ATOM 470 H PHE A 33 -10.917 12.398 -14.379 1.00 1.00 H +ATOM 471 HA PHE A 33 -10.327 10.234 -16.274 1.00 1.00 H +ATOM 472 HB2 PHE A 33 -7.892 11.041 -15.476 1.00 1.00 H +ATOM 473 HB3 PHE A 33 -8.749 11.964 -16.695 1.00 1.00 H +ATOM 474 HD1 PHE A 33 -10.440 13.778 -15.582 1.00 1.00 H +ATOM 475 HD2 PHE A 33 -6.903 12.259 -13.797 1.00 1.00 H +ATOM 476 HE1 PHE A 33 -10.291 15.826 -14.139 1.00 1.00 H +ATOM 477 HE2 PHE A 33 -6.753 14.306 -12.354 1.00 1.00 H +ATOM 478 HZ PHE A 33 -8.448 16.065 -12.542 1.00 1.00 H +ATOM 479 N LEU A 34 -8.917 8.894 -14.467 1.00 1.00 N +ATOM 480 CA LEU A 34 -8.583 7.924 -13.437 1.00 1.00 C +ATOM 481 C LEU A 34 -7.175 7.381 -13.695 1.00 1.00 C +ATOM 482 O LEU A 34 -6.866 6.947 -14.803 1.00 1.00 O +ATOM 483 CB LEU A 34 -9.656 6.837 -13.355 1.00 1.00 C +ATOM 484 CG LEU A 34 -10.776 6.923 -14.392 1.00 1.00 C +ATOM 485 CD1 LEU A 34 -11.176 5.529 -14.882 1.00 1.00 C +ATOM 486 CD2 LEU A 34 -11.973 7.703 -13.844 1.00 1.00 C +ATOM 487 H LEU A 34 -8.458 8.755 -15.343 1.00 1.00 H +ATOM 488 HA LEU A 34 -8.580 8.450 -12.482 1.00 1.00 H +ATOM 489 HB2 LEU A 34 -9.169 5.867 -13.452 1.00 1.00 H +ATOM 490 HB3 LEU A 34 -10.103 6.873 -12.362 1.00 1.00 H +ATOM 491 HG LEU A 34 -10.402 7.472 -15.256 1.00 1.00 H +ATOM 492 HD11 LEU A 34 -11.255 4.854 -14.031 1.00 1.00 H +ATOM 493 HD12 LEU A 34 -12.139 5.584 -15.391 1.00 1.00 H +ATOM 494 HD13 LEU A 34 -10.421 5.155 -15.573 1.00 1.00 H +ATOM 495 HD21 LEU A 34 -11.646 8.344 -13.026 1.00 1.00 H +ATOM 496 HD22 LEU A 34 -12.401 8.316 -14.639 1.00 1.00 H +ATOM 497 HD23 LEU A 34 -12.725 7.004 -13.480 1.00 1.00 H +ATOM 498 N VAL A 35 -6.359 7.423 -12.651 1.00 1.00 N +ATOM 499 CA VAL A 35 -4.992 6.940 -12.749 1.00 1.00 C +ATOM 500 C VAL A 35 -4.926 5.502 -12.231 1.00 1.00 C +ATOM 501 O VAL A 35 -5.534 5.176 -11.213 1.00 1.00 O +ATOM 502 CB VAL A 35 -4.048 7.887 -12.008 1.00 1.00 C +ATOM 503 CG1 VAL A 35 -3.225 7.133 -10.961 1.00 1.00 C +ATOM 504 CG2 VAL A 35 -3.140 8.633 -12.987 1.00 1.00 C +ATOM 505 H VAL A 35 -6.619 7.778 -11.752 1.00 1.00 H +ATOM 506 HA VAL A 35 -4.717 6.946 -13.804 1.00 1.00 H +ATOM 507 HB VAL A 35 -4.656 8.627 -11.486 1.00 1.00 H +ATOM 508 HG11 VAL A 35 -3.895 6.604 -10.285 1.00 1.00 H +ATOM 509 HG12 VAL A 35 -2.572 6.416 -11.461 1.00 1.00 H +ATOM 510 HG13 VAL A 35 -2.621 7.840 -10.395 1.00 1.00 H +ATOM 511 HG21 VAL A 35 -3.723 8.961 -13.847 1.00 1.00 H +ATOM 512 HG22 VAL A 35 -2.706 9.503 -12.490 1.00 1.00 H +ATOM 513 HG23 VAL A 35 -2.341 7.970 -13.320 1.00 1.00 H +ATOM 514 N ARG A 36 -4.181 4.680 -12.958 1.00 1.00 N +ATOM 515 CA ARG A 36 -4.027 3.284 -12.584 1.00 1.00 C +ATOM 516 C ARG A 36 -2.545 2.905 -12.544 1.00 1.00 C +ATOM 517 O ARG A 36 -1.680 3.744 -12.794 1.00 1.00 O +ATOM 518 CB ARG A 36 -4.755 2.367 -13.568 1.00 1.00 C +ATOM 519 CG ARG A 36 -6.116 2.947 -13.955 1.00 1.00 C +ATOM 520 CD ARG A 36 -7.090 1.838 -14.357 1.00 1.00 C +ATOM 521 NE ARG A 36 -8.483 2.280 -14.128 1.00 1.00 N +ATOM 522 CZ ARG A 36 -9.140 2.124 -12.971 1.00 1.00 C +ATOM 523 NH1 ARG A 36 -8.534 1.539 -11.930 1.00 1.00 N +ATOM 524 NH2 ARG A 36 -10.404 2.557 -12.854 1.00 1.00 N +ATOM 525 H ARG A 36 -3.690 4.953 -13.784 1.00 1.00 H +ATOM 526 HA ARG A 36 -4.477 3.209 -11.593 1.00 1.00 H +ATOM 527 HB2 ARG A 36 -4.145 2.232 -14.463 1.00 1.00 H +ATOM 528 HB3 ARG A 36 -4.888 1.381 -13.121 1.00 1.00 H +ATOM 529 HG2 ARG A 36 -6.527 3.509 -13.116 1.00 1.00 H +ATOM 530 HG3 ARG A 36 -5.995 3.648 -14.780 1.00 1.00 H +ATOM 531 HD2 ARG A 36 -6.949 1.583 -15.408 1.00 1.00 H +ATOM 532 HD3 ARG A 36 -6.886 0.936 -13.781 1.00 1.00 H +ATOM 533 HE ARG A 36 -8.966 2.723 -14.885 1.00 1.00 H +ATOM 534 HH11 ARG A 36 -7.591 1.216 -12.017 1.00 1.00 H +ATOM 535 HH12 ARG A 36 -9.024 1.423 -11.067 1.00 1.00 H +ATOM 536 HH21 ARG A 36 -10.857 2.996 -13.631 1.00 1.00 H +ATOM 537 HH22 ARG A 36 -10.893 2.442 -11.990 1.00 1.00 H +ATOM 538 N GLU A 37 -2.298 1.643 -12.229 1.00 1.00 N +ATOM 539 CA GLU A 37 -0.935 1.144 -12.154 1.00 1.00 C +ATOM 540 C GLU A 37 -0.769 -0.084 -13.051 1.00 1.00 C +ATOM 541 O GLU A 37 -1.602 -0.988 -13.033 1.00 1.00 O +ATOM 542 CB GLU A 37 -0.548 0.822 -10.708 1.00 1.00 C +ATOM 543 CG GLU A 37 -1.034 -0.572 -10.308 1.00 1.00 C +ATOM 544 CD GLU A 37 -0.480 -0.973 -8.940 1.00 1.00 C +ATOM 545 OE1 GLU A 37 0.665 -0.567 -8.648 1.00 1.00 O +ATOM 546 OE2 GLU A 37 -1.214 -1.679 -8.215 1.00 1.00 O +ATOM 547 H GLU A 37 -3.007 0.968 -12.027 1.00 1.00 H +ATOM 548 HA GLU A 37 -0.308 1.957 -12.518 1.00 1.00 H +ATOM 549 HB2 GLU A 37 0.535 0.879 -10.596 1.00 1.00 H +ATOM 550 HB3 GLU A 37 -0.978 1.567 -10.038 1.00 1.00 H +ATOM 551 HG2 GLU A 37 -2.124 -0.588 -10.283 1.00 1.00 H +ATOM 552 HG3 GLU A 37 -0.722 -1.300 -11.058 1.00 1.00 H +ATOM 553 N SER A 38 0.313 -0.076 -13.816 1.00 1.00 N +ATOM 554 CA SER A 38 0.599 -1.177 -14.719 1.00 1.00 C +ATOM 555 C SER A 38 0.437 -2.511 -13.987 1.00 1.00 C +ATOM 556 O SER A 38 0.853 -2.646 -12.837 1.00 1.00 O +ATOM 557 CB SER A 38 2.008 -1.060 -15.302 1.00 1.00 C +ATOM 558 OG SER A 38 2.969 -1.764 -14.520 1.00 1.00 O +ATOM 559 H SER A 38 0.987 0.664 -13.825 1.00 1.00 H +ATOM 560 HA SER A 38 -0.134 -1.090 -15.521 1.00 1.00 H +ATOM 561 HB2 SER A 38 2.014 -1.450 -16.320 1.00 1.00 H +ATOM 562 HB3 SER A 38 2.291 -0.008 -15.361 1.00 1.00 H +ATOM 563 HG SER A 38 3.866 -1.726 -14.965 1.00 1.00 H +ATOM 564 N GLU A 39 -0.168 -3.461 -14.683 1.00 1.00 N +ATOM 565 CA GLU A 39 -0.390 -4.779 -14.113 1.00 1.00 C +ATOM 566 C GLU A 39 0.787 -5.702 -14.434 1.00 1.00 C +ATOM 567 O GLU A 39 0.655 -6.627 -15.234 1.00 1.00 O +ATOM 568 CB GLU A 39 -1.707 -5.379 -14.611 1.00 1.00 C +ATOM 569 CG GLU A 39 -2.013 -6.699 -13.903 1.00 1.00 C +ATOM 570 CD GLU A 39 -2.671 -7.694 -14.860 1.00 1.00 C +ATOM 571 OE1 GLU A 39 -3.390 -7.221 -15.765 1.00 1.00 O +ATOM 572 OE2 GLU A 39 -2.439 -8.908 -14.664 1.00 1.00 O +ATOM 573 H GLU A 39 -0.503 -3.344 -15.618 1.00 1.00 H +ATOM 574 HA GLU A 39 -0.455 -4.623 -13.037 1.00 1.00 H +ATOM 575 HB2 GLU A 39 -2.520 -4.673 -14.438 1.00 1.00 H +ATOM 576 HB3 GLU A 39 -1.651 -5.542 -15.687 1.00 1.00 H +ATOM 577 HG2 GLU A 39 -1.091 -7.125 -13.507 1.00 1.00 H +ATOM 578 HG3 GLU A 39 -2.670 -6.517 -13.052 1.00 1.00 H +ATOM 579 N SER A 40 1.911 -5.419 -13.794 1.00 1.00 N +ATOM 580 CA SER A 40 3.111 -6.211 -14.000 1.00 1.00 C +ATOM 581 C SER A 40 4.303 -5.548 -13.306 1.00 1.00 C +ATOM 582 O SER A 40 5.027 -6.196 -12.552 1.00 1.00 O +ATOM 583 CB SER A 40 3.400 -6.394 -15.492 1.00 1.00 C +ATOM 584 OG SER A 40 2.869 -7.618 -15.993 1.00 1.00 O +ATOM 585 H SER A 40 2.010 -4.665 -13.144 1.00 1.00 H +ATOM 586 HA SER A 40 2.898 -7.181 -13.552 1.00 1.00 H +ATOM 587 HB2 SER A 40 2.974 -5.560 -16.049 1.00 1.00 H +ATOM 588 HB3 SER A 40 4.477 -6.372 -15.658 1.00 1.00 H +ATOM 589 HG SER A 40 2.330 -7.445 -16.817 1.00 1.00 H +ATOM 590 N SER A 41 4.470 -4.264 -13.588 1.00 1.00 N +ATOM 591 CA SER A 41 5.563 -3.507 -13.000 1.00 1.00 C +ATOM 592 C SER A 41 5.007 -2.376 -12.132 1.00 1.00 C +ATOM 593 O SER A 41 4.422 -1.425 -12.645 1.00 1.00 O +ATOM 594 CB SER A 41 6.485 -2.940 -14.082 1.00 1.00 C +ATOM 595 OG SER A 41 7.730 -3.631 -14.138 1.00 1.00 O +ATOM 596 H SER A 41 3.879 -3.744 -14.202 1.00 1.00 H +ATOM 597 HA SER A 41 6.115 -4.221 -12.390 1.00 1.00 H +ATOM 598 HB2 SER A 41 5.991 -3.005 -15.052 1.00 1.00 H +ATOM 599 HB3 SER A 41 6.665 -1.883 -13.888 1.00 1.00 H +ATOM 600 HG SER A 41 7.670 -4.485 -13.622 1.00 1.00 H +ATOM 601 N PRO A 42 5.215 -2.522 -10.797 1.00 1.00 N +ATOM 602 CA PRO A 42 4.742 -1.525 -9.851 1.00 1.00 C +ATOM 603 C PRO A 42 5.623 -0.273 -9.887 1.00 1.00 C +ATOM 604 O PRO A 42 6.115 0.173 -8.852 1.00 1.00 O +ATOM 605 CB PRO A 42 4.757 -2.223 -8.502 1.00 1.00 C +ATOM 606 CG PRO A 42 5.672 -3.425 -8.664 1.00 1.00 C +ATOM 607 CD PRO A 42 5.905 -3.636 -10.152 1.00 1.00 C +ATOM 608 HA PRO A 42 3.823 -1.218 -10.100 1.00 1.00 H +ATOM 609 HB2 PRO A 42 5.124 -1.556 -7.721 1.00 1.00 H +ATOM 610 HB3 PRO A 42 3.753 -2.532 -8.210 1.00 1.00 H +ATOM 611 HG2 PRO A 42 6.619 -3.258 -8.149 1.00 1.00 H +ATOM 612 HG3 PRO A 42 5.220 -4.311 -8.220 1.00 1.00 H +ATOM 613 HD2 PRO A 42 6.968 -3.634 -10.391 1.00 1.00 H +ATOM 614 HD3 PRO A 42 5.506 -4.594 -10.484 1.00 1.00 H +ATOM 615 N GLY A 43 5.794 0.257 -11.089 1.00 1.00 N +ATOM 616 CA GLY A 43 6.607 1.447 -11.274 1.00 1.00 C +ATOM 617 C GLY A 43 5.951 2.409 -12.266 1.00 1.00 C +ATOM 618 O GLY A 43 6.023 3.625 -12.098 1.00 1.00 O +ATOM 619 H GLY A 43 5.389 -0.113 -11.926 1.00 1.00 H +ATOM 620 HA2 GLY A 43 6.747 1.947 -10.316 1.00 1.00 H +ATOM 621 HA3 GLY A 43 7.596 1.165 -11.634 1.00 1.00 H +ATOM 622 N GLN A 44 5.327 1.828 -13.282 1.00 1.00 N +ATOM 623 CA GLN A 44 4.660 2.619 -14.302 1.00 1.00 C +ATOM 624 C GLN A 44 3.145 2.588 -14.091 1.00 1.00 C +ATOM 625 O GLN A 44 2.581 1.545 -13.762 1.00 1.00 O +ATOM 626 CB GLN A 44 5.029 2.128 -15.703 1.00 1.00 C +ATOM 627 CG GLN A 44 5.600 0.710 -15.656 1.00 1.00 C +ATOM 628 CD GLN A 44 6.998 0.702 -15.032 1.00 1.00 C +ATOM 629 OE1 GLN A 44 7.210 0.232 -13.927 1.00 1.00 O +ATOM 630 NE2 GLN A 44 7.936 1.246 -15.803 1.00 1.00 N +ATOM 631 H GLN A 44 5.273 0.838 -13.412 1.00 1.00 H +ATOM 632 HA GLN A 44 5.032 3.636 -14.170 1.00 1.00 H +ATOM 633 HB2 GLN A 44 4.146 2.149 -16.343 1.00 1.00 H +ATOM 634 HB3 GLN A 44 5.761 2.803 -16.148 1.00 1.00 H +ATOM 635 HG2 GLN A 44 4.936 0.066 -15.078 1.00 1.00 H +ATOM 636 HG3 GLN A 44 5.645 0.298 -16.663 1.00 1.00 H +ATOM 637 HE21 GLN A 44 7.695 1.614 -16.701 1.00 1.00 H +ATOM 638 HE22 GLN A 44 8.883 1.288 -15.483 1.00 1.00 H +ATOM 639 N ARG A 45 2.529 3.743 -14.288 1.00 1.00 N +ATOM 640 CA ARG A 45 1.090 3.862 -14.125 1.00 1.00 C +ATOM 641 C ARG A 45 0.450 4.391 -15.409 1.00 1.00 C +ATOM 642 O ARG A 45 1.082 5.133 -16.162 1.00 1.00 O +ATOM 643 CB ARG A 45 0.743 4.800 -12.968 1.00 1.00 C +ATOM 644 CG ARG A 45 -0.311 5.826 -13.389 1.00 1.00 C +ATOM 645 CD ARG A 45 0.334 7.007 -14.118 1.00 1.00 C +ATOM 646 NE ARG A 45 0.798 8.012 -13.138 1.00 1.00 N +ATOM 647 CZ ARG A 45 0.249 9.226 -12.988 1.00 1.00 C +ATOM 648 NH1 ARG A 45 -0.788 9.590 -13.754 1.00 1.00 N +ATOM 649 NH2 ARG A 45 0.737 10.075 -12.073 1.00 1.00 N +ATOM 650 H ARG A 45 2.995 4.587 -14.555 1.00 1.00 H +ATOM 651 HA ARG A 45 0.750 2.850 -13.906 1.00 1.00 H +ATOM 652 HB2 ARG A 45 0.372 4.219 -12.123 1.00 1.00 H +ATOM 653 HB3 ARG A 45 1.642 5.315 -12.629 1.00 1.00 H +ATOM 654 HG2 ARG A 45 -1.046 5.351 -14.040 1.00 1.00 H +ATOM 655 HG3 ARG A 45 -0.847 6.185 -12.511 1.00 1.00 H +ATOM 656 HD2 ARG A 45 1.173 6.659 -14.719 1.00 1.00 H +ATOM 657 HD3 ARG A 45 -0.384 7.459 -14.803 1.00 1.00 H +ATOM 658 HE ARG A 45 1.572 7.774 -12.551 1.00 1.00 H +ATOM 659 HH11 ARG A 45 -1.152 8.957 -14.437 1.00 1.00 H +ATOM 660 HH12 ARG A 45 -1.199 10.496 -13.642 1.00 1.00 H +ATOM 661 HH21 ARG A 45 1.511 9.802 -11.500 1.00 1.00 H +ATOM 662 HH22 ARG A 45 0.325 10.979 -11.961 1.00 1.00 H +ATOM 663 N SER A 46 -0.794 3.988 -15.623 1.00 1.00 N +ATOM 664 CA SER A 46 -1.525 4.414 -16.805 1.00 1.00 C +ATOM 665 C SER A 46 -2.508 5.528 -16.440 1.00 1.00 C +ATOM 666 O SER A 46 -2.617 5.908 -15.275 1.00 1.00 O +ATOM 667 CB SER A 46 -2.268 3.238 -17.444 1.00 1.00 C +ATOM 668 OG SER A 46 -1.395 2.406 -18.204 1.00 1.00 O +ATOM 669 H SER A 46 -1.299 3.386 -15.007 1.00 1.00 H +ATOM 670 HA SER A 46 -0.767 4.783 -17.496 1.00 1.00 H +ATOM 671 HB2 SER A 46 -2.748 2.647 -16.666 1.00 1.00 H +ATOM 672 HB3 SER A 46 -3.060 3.618 -18.091 1.00 1.00 H +ATOM 673 HG SER A 46 -0.508 2.336 -17.749 1.00 1.00 H +ATOM 674 N ILE A 47 -3.201 6.018 -17.457 1.00 1.00 N +ATOM 675 CA ILE A 47 -4.172 7.081 -17.258 1.00 1.00 C +ATOM 676 C ILE A 47 -5.451 6.748 -18.030 1.00 1.00 C +ATOM 677 O ILE A 47 -5.390 6.242 -19.149 1.00 1.00 O +ATOM 678 CB ILE A 47 -3.567 8.437 -17.627 1.00 1.00 C +ATOM 679 CG1 ILE A 47 -3.852 9.477 -16.541 1.00 1.00 C +ATOM 680 CG2 ILE A 47 -4.048 8.897 -19.004 1.00 1.00 C +ATOM 681 CD1 ILE A 47 -2.552 10.085 -16.010 1.00 1.00 C +ATOM 682 H ILE A 47 -3.107 5.703 -18.402 1.00 1.00 H +ATOM 683 HA ILE A 47 -4.408 7.112 -16.194 1.00 1.00 H +ATOM 684 HB ILE A 47 -2.484 8.322 -17.686 1.00 1.00 H +ATOM 685 HG12 ILE A 47 -4.487 10.265 -16.947 1.00 1.00 H +ATOM 686 HG13 ILE A 47 -4.401 9.014 -15.723 1.00 1.00 H +ATOM 687 HG21 ILE A 47 -4.155 8.031 -19.659 1.00 1.00 H +ATOM 688 HG22 ILE A 47 -5.013 9.397 -18.902 1.00 1.00 H +ATOM 689 HG23 ILE A 47 -3.322 9.589 -19.430 1.00 1.00 H +ATOM 690 HD11 ILE A 47 -1.720 9.415 -16.228 1.00 1.00 H +ATOM 691 HD12 ILE A 47 -2.377 11.048 -16.491 1.00 1.00 H +ATOM 692 HD13 ILE A 47 -2.631 10.227 -14.932 1.00 1.00 H +ATOM 693 N SER A 48 -6.578 7.047 -17.401 1.00 1.00 N +ATOM 694 CA SER A 48 -7.869 6.787 -18.013 1.00 1.00 C +ATOM 695 C SER A 48 -8.738 8.046 -17.959 1.00 1.00 C +ATOM 696 O SER A 48 -8.972 8.596 -16.886 1.00 1.00 O +ATOM 697 CB SER A 48 -8.580 5.620 -17.326 1.00 1.00 C +ATOM 698 OG SER A 48 -8.131 5.436 -15.987 1.00 1.00 O +ATOM 699 H SER A 48 -6.618 7.460 -16.490 1.00 1.00 H +ATOM 700 HA SER A 48 -7.648 6.519 -19.047 1.00 1.00 H +ATOM 701 HB2 SER A 48 -9.656 5.801 -17.324 1.00 1.00 H +ATOM 702 HB3 SER A 48 -8.412 4.706 -17.894 1.00 1.00 H +ATOM 703 HG SER A 48 -8.507 4.588 -15.613 1.00 1.00 H +ATOM 704 N LEU A 49 -9.191 8.464 -19.133 1.00 1.00 N +ATOM 705 CA LEU A 49 -10.028 9.647 -19.232 1.00 1.00 C +ATOM 706 C LEU A 49 -11.450 9.229 -19.611 1.00 1.00 C +ATOM 707 O LEU A 49 -11.660 8.142 -20.147 1.00 1.00 O +ATOM 708 CB LEU A 49 -9.408 10.664 -20.192 1.00 1.00 C +ATOM 709 CG LEU A 49 -8.136 11.359 -19.703 1.00 1.00 C +ATOM 710 CD1 LEU A 49 -8.471 12.641 -18.939 1.00 1.00 C +ATOM 711 CD2 LEU A 49 -7.274 10.405 -18.874 1.00 1.00 C +ATOM 712 H LEU A 49 -8.996 8.010 -20.002 1.00 1.00 H +ATOM 713 HA LEU A 49 -10.056 10.112 -18.245 1.00 1.00 H +ATOM 714 HB2 LEU A 49 -9.183 10.156 -21.132 1.00 1.00 H +ATOM 715 HB3 LEU A 49 -10.154 11.427 -20.414 1.00 1.00 H +ATOM 716 HG LEU A 49 -7.550 11.649 -20.575 1.00 1.00 H +ATOM 717 HD11 LEU A 49 -9.435 12.525 -18.441 1.00 1.00 H +ATOM 718 HD12 LEU A 49 -7.698 12.833 -18.195 1.00 1.00 H +ATOM 719 HD13 LEU A 49 -8.520 13.477 -19.636 1.00 1.00 H +ATOM 720 HD21 LEU A 49 -7.160 9.462 -19.408 1.00 1.00 H +ATOM 721 HD22 LEU A 49 -6.293 10.851 -18.711 1.00 1.00 H +ATOM 722 HD23 LEU A 49 -7.755 10.224 -17.914 1.00 1.00 H +ATOM 723 N ARG A 50 -12.392 10.116 -19.320 1.00 1.00 N +ATOM 724 CA ARG A 50 -13.788 9.853 -19.624 1.00 1.00 C +ATOM 725 C ARG A 50 -14.544 11.168 -19.823 1.00 1.00 C +ATOM 726 O ARG A 50 -14.233 12.169 -19.180 1.00 1.00 O +ATOM 727 CB ARG A 50 -14.454 9.052 -18.504 1.00 1.00 C +ATOM 728 CG ARG A 50 -15.890 8.678 -18.877 1.00 1.00 C +ATOM 729 CD ARG A 50 -16.898 9.528 -18.100 1.00 1.00 C +ATOM 730 NE ARG A 50 -18.218 8.859 -18.087 1.00 1.00 N +ATOM 731 CZ ARG A 50 -19.386 9.506 -17.967 1.00 1.00 C +ATOM 732 NH1 ARG A 50 -19.403 10.841 -17.850 1.00 1.00 N +ATOM 733 NH2 ARG A 50 -20.535 8.817 -17.963 1.00 1.00 N +ATOM 734 H ARG A 50 -12.212 10.998 -18.884 1.00 1.00 H +ATOM 735 HA ARG A 50 -13.767 9.270 -20.546 1.00 1.00 H +ATOM 736 HB2 ARG A 50 -13.878 8.148 -18.306 1.00 1.00 H +ATOM 737 HB3 ARG A 50 -14.455 9.638 -17.585 1.00 1.00 H +ATOM 738 HG2 ARG A 50 -16.040 8.818 -19.948 1.00 1.00 H +ATOM 739 HG3 ARG A 50 -16.061 7.622 -18.667 1.00 1.00 H +ATOM 740 HD2 ARG A 50 -16.547 9.680 -17.079 1.00 1.00 H +ATOM 741 HD3 ARG A 50 -16.985 10.513 -18.558 1.00 1.00 H +ATOM 742 HE ARG A 50 -18.241 7.863 -18.170 1.00 1.00 H +ATOM 743 HH11 ARG A 50 -18.545 11.354 -17.853 1.00 1.00 H +ATOM 744 HH12 ARG A 50 -20.276 11.323 -17.761 1.00 1.00 H +ATOM 745 HH21 ARG A 50 -20.522 7.822 -18.050 1.00 1.00 H +ATOM 746 HH22 ARG A 50 -21.407 9.300 -17.873 1.00 1.00 H +ATOM 747 N TYR A 51 -15.524 11.122 -20.714 1.00 1.00 N +ATOM 748 CA TYR A 51 -16.327 12.296 -21.005 1.00 1.00 C +ATOM 749 C TYR A 51 -17.820 11.964 -20.965 1.00 1.00 C +ATOM 750 O TYR A 51 -18.410 11.870 -19.890 1.00 1.00 O +ATOM 751 CB TYR A 51 -15.950 12.724 -22.424 1.00 1.00 C +ATOM 752 CG TYR A 51 -14.733 13.652 -22.492 1.00 1.00 C +ATOM 753 CD1 TYR A 51 -13.464 13.117 -22.586 1.00 1.00 C +ATOM 754 CD2 TYR A 51 -14.905 15.019 -22.460 1.00 1.00 C +ATOM 755 CE1 TYR A 51 -12.319 13.988 -22.649 1.00 1.00 C +ATOM 756 CE2 TYR A 51 -13.760 15.891 -22.525 1.00 1.00 C +ATOM 757 CZ TYR A 51 -12.524 15.332 -22.616 1.00 1.00 C +ATOM 758 OH TYR A 51 -11.442 16.154 -22.676 1.00 1.00 O +ATOM 759 H TYR A 51 -15.770 10.302 -21.232 1.00 1.00 H +ATOM 760 HA TYR A 51 -16.109 13.049 -20.246 1.00 1.00 H +ATOM 761 HB2 TYR A 51 -15.750 11.835 -23.021 1.00 1.00 H +ATOM 762 HB3 TYR A 51 -16.802 13.229 -22.880 1.00 1.00 H +ATOM 763 HD1 TYR A 51 -13.328 12.035 -22.611 1.00 1.00 H +ATOM 764 HD2 TYR A 51 -15.908 15.441 -22.388 1.00 1.00 H +ATOM 765 HE1 TYR A 51 -11.311 13.580 -22.724 1.00 1.00 H +ATOM 766 HE2 TYR A 51 -13.882 16.974 -22.501 1.00 1.00 H +ATOM 767 HH TYR A 51 -10.760 15.777 -23.303 1.00 1.00 H +ATOM 768 N GLU A 52 -18.387 11.794 -22.150 1.00 1.00 N +ATOM 769 CA GLU A 52 -19.800 11.473 -22.264 1.00 1.00 C +ATOM 770 C GLU A 52 -19.984 9.985 -22.569 1.00 1.00 C +ATOM 771 O GLU A 52 -20.903 9.605 -23.294 1.00 1.00 O +ATOM 772 CB GLU A 52 -20.473 12.339 -23.331 1.00 1.00 C +ATOM 773 CG GLU A 52 -19.914 12.030 -24.721 1.00 1.00 C +ATOM 774 CD GLU A 52 -21.029 11.597 -25.676 1.00 1.00 C +ATOM 775 OE1 GLU A 52 -21.638 12.503 -26.286 1.00 1.00 O +ATOM 776 OE2 GLU A 52 -21.246 10.370 -25.777 1.00 1.00 O +ATOM 777 H GLU A 52 -17.899 11.872 -23.019 1.00 1.00 H +ATOM 778 HA GLU A 52 -20.229 11.707 -21.290 1.00 1.00 H +ATOM 779 HB2 GLU A 52 -21.549 12.163 -23.321 1.00 1.00 H +ATOM 780 HB3 GLU A 52 -20.321 13.392 -23.099 1.00 1.00 H +ATOM 781 HG2 GLU A 52 -19.412 12.911 -25.119 1.00 1.00 H +ATOM 782 HG3 GLU A 52 -19.165 11.242 -24.649 1.00 1.00 H +ATOM 783 N GLY A 53 -19.094 9.183 -22.002 1.00 1.00 N +ATOM 784 CA GLY A 53 -19.146 7.745 -22.204 1.00 1.00 C +ATOM 785 C GLY A 53 -17.810 7.216 -22.728 1.00 1.00 C +ATOM 786 O GLY A 53 -17.375 6.131 -22.346 1.00 1.00 O +ATOM 787 H GLY A 53 -18.349 9.501 -21.414 1.00 1.00 H +ATOM 788 HA2 GLY A 53 -19.394 7.251 -21.264 1.00 1.00 H +ATOM 789 HA3 GLY A 53 -19.940 7.503 -22.911 1.00 1.00 H +ATOM 790 N ARG A 54 -17.196 8.008 -23.594 1.00 1.00 N +ATOM 791 CA ARG A 54 -15.917 7.633 -24.174 1.00 1.00 C +ATOM 792 C ARG A 54 -14.814 7.702 -23.117 1.00 1.00 C +ATOM 793 O ARG A 54 -14.759 8.648 -22.333 1.00 1.00 O +ATOM 794 CB ARG A 54 -15.553 8.549 -25.343 1.00 1.00 C +ATOM 795 CG ARG A 54 -15.790 10.017 -24.983 1.00 1.00 C +ATOM 796 CD ARG A 54 -14.537 10.856 -25.241 1.00 1.00 C +ATOM 797 NE ARG A 54 -14.721 11.679 -26.458 1.00 1.00 N +ATOM 798 CZ ARG A 54 -15.676 12.608 -26.599 1.00 1.00 C +ATOM 799 NH1 ARG A 54 -16.539 12.837 -25.600 1.00 1.00 N +ATOM 800 NH2 ARG A 54 -15.767 13.308 -27.738 1.00 1.00 N +ATOM 801 H ARG A 54 -17.555 8.889 -23.900 1.00 1.00 H +ATOM 802 HA ARG A 54 -16.060 6.611 -24.527 1.00 1.00 H +ATOM 803 HB2 ARG A 54 -14.507 8.402 -25.613 1.00 1.00 H +ATOM 804 HB3 ARG A 54 -16.147 8.285 -26.218 1.00 1.00 H +ATOM 805 HG2 ARG A 54 -16.622 10.410 -25.569 1.00 1.00 H +ATOM 806 HG3 ARG A 54 -16.074 10.098 -23.934 1.00 1.00 H +ATOM 807 HD2 ARG A 54 -14.334 11.497 -24.385 1.00 1.00 H +ATOM 808 HD3 ARG A 54 -13.672 10.204 -25.363 1.00 1.00 H +ATOM 809 HE ARG A 54 -14.092 11.533 -27.223 1.00 1.00 H +ATOM 810 HH11 ARG A 54 -16.471 12.315 -24.750 1.00 1.00 H +ATOM 811 HH12 ARG A 54 -17.253 13.530 -25.705 1.00 1.00 H +ATOM 812 HH21 ARG A 54 -15.122 13.137 -28.483 1.00 1.00 H +ATOM 813 HH22 ARG A 54 -16.480 14.001 -27.842 1.00 1.00 H +ATOM 814 N VAL A 55 -13.961 6.686 -23.129 1.00 1.00 N +ATOM 815 CA VAL A 55 -12.862 6.621 -22.181 1.00 1.00 C +ATOM 816 C VAL A 55 -11.567 6.301 -22.930 1.00 1.00 C +ATOM 817 O VAL A 55 -11.525 5.372 -23.734 1.00 1.00 O +ATOM 818 CB VAL A 55 -13.183 5.609 -21.080 1.00 1.00 C +ATOM 819 CG1 VAL A 55 -13.624 4.270 -21.675 1.00 1.00 C +ATOM 820 CG2 VAL A 55 -11.988 5.423 -20.142 1.00 1.00 C +ATOM 821 H VAL A 55 -14.014 5.922 -23.770 1.00 1.00 H +ATOM 822 HA VAL A 55 -12.767 7.604 -21.719 1.00 1.00 H +ATOM 823 HB VAL A 55 -14.011 6.003 -20.492 1.00 1.00 H +ATOM 824 HG11 VAL A 55 -14.169 4.448 -22.603 1.00 1.00 H +ATOM 825 HG12 VAL A 55 -12.746 3.657 -21.882 1.00 1.00 H +ATOM 826 HG13 VAL A 55 -14.270 3.753 -20.968 1.00 1.00 H +ATOM 827 HG21 VAL A 55 -11.062 5.566 -20.700 1.00 1.00 H +ATOM 828 HG22 VAL A 55 -12.043 6.155 -19.336 1.00 1.00 H +ATOM 829 HG23 VAL A 55 -12.008 4.418 -19.721 1.00 1.00 H +ATOM 830 N TYR A 56 -10.543 7.089 -22.638 1.00 1.00 N +ATOM 831 CA TYR A 56 -9.249 6.901 -23.274 1.00 1.00 C +ATOM 832 C TYR A 56 -8.253 6.254 -22.309 1.00 1.00 C +ATOM 833 O TYR A 56 -8.076 6.725 -21.186 1.00 1.00 O +ATOM 834 CB TYR A 56 -8.752 8.300 -23.640 1.00 1.00 C +ATOM 835 CG TYR A 56 -9.716 9.091 -24.527 1.00 1.00 C +ATOM 836 CD1 TYR A 56 -9.991 8.655 -25.808 1.00 1.00 C +ATOM 837 CD2 TYR A 56 -10.310 10.241 -24.047 1.00 1.00 C +ATOM 838 CE1 TYR A 56 -10.898 9.399 -26.641 1.00 1.00 C +ATOM 839 CE2 TYR A 56 -11.218 10.985 -24.881 1.00 1.00 C +ATOM 840 CZ TYR A 56 -11.467 10.528 -26.137 1.00 1.00 C +ATOM 841 OH TYR A 56 -12.323 11.230 -26.926 1.00 1.00 O +ATOM 842 H TYR A 56 -10.585 7.841 -21.983 1.00 1.00 H +ATOM 843 HA TYR A 56 -9.389 6.245 -24.133 1.00 1.00 H +ATOM 844 HB2 TYR A 56 -8.575 8.863 -22.723 1.00 1.00 H +ATOM 845 HB3 TYR A 56 -7.793 8.212 -24.150 1.00 1.00 H +ATOM 846 HD1 TYR A 56 -9.521 7.747 -26.186 1.00 1.00 H +ATOM 847 HD2 TYR A 56 -10.093 10.585 -23.036 1.00 1.00 H +ATOM 848 HE1 TYR A 56 -11.124 9.066 -27.655 1.00 1.00 H +ATOM 849 HE2 TYR A 56 -11.693 11.895 -24.515 1.00 1.00 H +ATOM 850 HH TYR A 56 -12.257 10.910 -27.872 1.00 1.00 H +ATOM 851 N HIS A 57 -7.629 5.185 -22.782 1.00 1.00 N +ATOM 852 CA HIS A 57 -6.656 4.470 -21.975 1.00 1.00 C +ATOM 853 C HIS A 57 -5.258 4.654 -22.572 1.00 1.00 C +ATOM 854 O HIS A 57 -4.934 4.059 -23.598 1.00 1.00 O +ATOM 855 CB HIS A 57 -7.048 2.998 -21.830 1.00 1.00 C +ATOM 856 CG HIS A 57 -8.162 2.754 -20.840 1.00 1.00 C +ATOM 857 ND1 HIS A 57 -9.441 2.392 -21.227 1.00 1.00 N +ATOM 858 CD2 HIS A 57 -8.176 2.822 -19.478 1.00 1.00 C +ATOM 859 CE1 HIS A 57 -10.184 2.254 -20.138 1.00 1.00 C +ATOM 860 NE2 HIS A 57 -9.397 2.521 -19.055 1.00 1.00 N +ATOM 861 H HIS A 57 -7.779 4.809 -23.695 1.00 1.00 H +ATOM 862 HA HIS A 57 -6.680 4.920 -20.983 1.00 1.00 H +ATOM 863 HB2 HIS A 57 -7.350 2.614 -22.804 1.00 1.00 H +ATOM 864 HB3 HIS A 57 -6.171 2.427 -21.521 1.00 1.00 H +ATOM 865 HD1 HIS A 57 -9.752 2.260 -22.167 1.00 1.00 H +ATOM 866 HD2 HIS A 57 -7.327 3.080 -18.845 1.00 1.00 H +ATOM 867 HE1 HIS A 57 -11.236 1.975 -20.111 1.00 1.00 H +ATOM 868 N TYR A 58 -4.471 5.484 -21.905 1.00 1.00 N +ATOM 869 CA TYR A 58 -3.116 5.756 -22.355 1.00 1.00 C +ATOM 870 C TYR A 58 -2.107 5.533 -21.228 1.00 1.00 C +ATOM 871 O TYR A 58 -1.959 6.379 -20.348 1.00 1.00 O +ATOM 872 CB TYR A 58 -3.094 7.231 -22.760 1.00 1.00 C +ATOM 873 CG TYR A 58 -3.049 7.463 -24.272 1.00 1.00 C +ATOM 874 CD1 TYR A 58 -4.059 6.971 -25.075 1.00 1.00 C +ATOM 875 CD2 TYR A 58 -2.001 8.163 -24.832 1.00 1.00 C +ATOM 876 CE1 TYR A 58 -4.017 7.187 -26.498 1.00 1.00 C +ATOM 877 CE2 TYR A 58 -1.959 8.380 -26.256 1.00 1.00 C +ATOM 878 CZ TYR A 58 -2.969 7.882 -27.018 1.00 1.00 C +ATOM 879 OH TYR A 58 -2.929 8.087 -28.361 1.00 1.00 O +ATOM 880 H TYR A 58 -4.743 5.965 -21.071 1.00 1.00 H +ATOM 881 HA TYR A 58 -2.891 5.073 -23.174 1.00 1.00 H +ATOM 882 HB2 TYR A 58 -3.979 7.721 -22.353 1.00 1.00 H +ATOM 883 HB3 TYR A 58 -2.227 7.710 -22.304 1.00 1.00 H +ATOM 884 HD1 TYR A 58 -4.887 6.418 -24.633 1.00 1.00 H +ATOM 885 HD2 TYR A 58 -1.204 8.551 -24.197 1.00 1.00 H +ATOM 886 HE1 TYR A 58 -4.807 6.804 -27.144 1.00 1.00 H +ATOM 887 HE2 TYR A 58 -1.135 8.931 -26.710 1.00 1.00 H +ATOM 888 HH TYR A 58 -3.856 8.208 -28.716 1.00 1.00 H +ATOM 889 N ARG A 59 -1.440 4.390 -21.292 1.00 1.00 N +ATOM 890 CA ARG A 59 -0.449 4.047 -20.286 1.00 1.00 C +ATOM 891 C ARG A 59 0.788 4.935 -20.434 1.00 1.00 C +ATOM 892 O ARG A 59 1.079 5.424 -21.523 1.00 1.00 O +ATOM 893 CB ARG A 59 -0.031 2.579 -20.405 1.00 1.00 C +ATOM 894 CG ARG A 59 0.615 2.301 -21.764 1.00 1.00 C +ATOM 895 CD ARG A 59 0.568 0.808 -22.097 1.00 1.00 C +ATOM 896 NE ARG A 59 -0.194 0.592 -23.347 1.00 1.00 N +ATOM 897 CZ ARG A 59 0.329 0.708 -24.577 1.00 1.00 C +ATOM 898 NH1 ARG A 59 1.619 1.039 -24.727 1.00 1.00 N +ATOM 899 NH2 ARG A 59 -0.438 0.493 -25.655 1.00 1.00 N +ATOM 900 H ARG A 59 -1.567 3.708 -22.012 1.00 1.00 H +ATOM 901 HA ARG A 59 -0.947 4.222 -19.333 1.00 1.00 H +ATOM 902 HB2 ARG A 59 0.670 2.331 -19.608 1.00 1.00 H +ATOM 903 HB3 ARG A 59 -0.902 1.937 -20.273 1.00 1.00 H +ATOM 904 HG2 ARG A 59 0.097 2.866 -22.540 1.00 1.00 H +ATOM 905 HG3 ARG A 59 1.649 2.643 -21.756 1.00 1.00 H +ATOM 906 HD2 ARG A 59 1.581 0.421 -22.207 1.00 1.00 H +ATOM 907 HD3 ARG A 59 0.104 0.258 -21.280 1.00 1.00 H +ATOM 908 HE ARG A 59 -1.159 0.345 -23.271 1.00 1.00 H +ATOM 909 HH11 ARG A 59 2.192 1.198 -23.923 1.00 1.00 H +ATOM 910 HH12 ARG A 59 2.009 1.125 -25.644 1.00 1.00 H +ATOM 911 HH21 ARG A 59 -1.401 0.248 -25.541 1.00 1.00 H +ATOM 912 HH22 ARG A 59 -0.048 0.580 -26.571 1.00 1.00 H +ATOM 913 N ILE A 60 1.483 5.115 -19.321 1.00 1.00 N +ATOM 914 CA ILE A 60 2.682 5.937 -19.312 1.00 1.00 C +ATOM 915 C ILE A 60 3.915 5.031 -19.304 1.00 1.00 C +ATOM 916 O ILE A 60 3.801 3.821 -19.113 1.00 1.00 O +ATOM 917 CB ILE A 60 2.642 6.932 -18.151 1.00 1.00 C +ATOM 918 CG1 ILE A 60 1.305 7.673 -18.110 1.00 1.00 C +ATOM 919 CG2 ILE A 60 3.830 7.893 -18.212 1.00 1.00 C +ATOM 920 CD1 ILE A 60 1.110 8.382 -16.768 1.00 1.00 C +ATOM 921 H ILE A 60 1.240 4.713 -18.437 1.00 1.00 H +ATOM 922 HA ILE A 60 2.686 6.518 -20.235 1.00 1.00 H +ATOM 923 HB ILE A 60 2.728 6.372 -17.218 1.00 1.00 H +ATOM 924 HG12 ILE A 60 1.264 8.403 -18.919 1.00 1.00 H +ATOM 925 HG13 ILE A 60 0.489 6.970 -18.274 1.00 1.00 H +ATOM 926 HG21 ILE A 60 3.942 8.270 -19.228 1.00 1.00 H +ATOM 927 HG22 ILE A 60 3.656 8.728 -17.532 1.00 1.00 H +ATOM 928 HG23 ILE A 60 4.739 7.368 -17.916 1.00 1.00 H +ATOM 929 HD11 ILE A 60 1.762 7.928 -16.020 1.00 1.00 H +ATOM 930 HD12 ILE A 60 1.360 9.438 -16.875 1.00 1.00 H +ATOM 931 HD13 ILE A 60 0.072 8.285 -16.453 1.00 1.00 H +ATOM 932 N ASN A 61 5.067 5.651 -19.512 1.00 1.00 N +ATOM 933 CA ASN A 61 6.320 4.916 -19.530 1.00 1.00 C +ATOM 934 C ASN A 61 7.338 5.629 -18.638 1.00 1.00 C +ATOM 935 O ASN A 61 7.041 6.677 -18.064 1.00 1.00 O +ATOM 936 CB ASN A 61 6.898 4.850 -20.946 1.00 1.00 C +ATOM 937 CG ASN A 61 5.929 5.454 -21.963 1.00 1.00 C +ATOM 938 OD1 ASN A 61 5.228 4.759 -22.680 1.00 1.00 O +ATOM 939 ND2 ASN A 61 5.928 6.784 -21.986 1.00 1.00 N +ATOM 940 H ASN A 61 5.152 6.635 -19.665 1.00 1.00 H +ATOM 941 HA ASN A 61 6.073 3.919 -19.168 1.00 1.00 H +ATOM 942 HB2 ASN A 61 7.848 5.385 -20.980 1.00 1.00 H +ATOM 943 HB3 ASN A 61 7.107 3.814 -21.208 1.00 1.00 H +ATOM 944 HD21 ASN A 61 6.529 7.294 -21.371 1.00 1.00 H +ATOM 945 HD22 ASN A 61 5.328 7.272 -22.618 1.00 1.00 H +ATOM 946 N THR A 62 8.518 5.033 -18.546 1.00 1.00 N +ATOM 947 CA THR A 62 9.581 5.598 -17.732 1.00 1.00 C +ATOM 948 C THR A 62 10.741 6.060 -18.616 1.00 1.00 C +ATOM 949 O THR A 62 10.931 5.544 -19.716 1.00 1.00 O +ATOM 950 CB THR A 62 9.989 4.550 -16.693 1.00 1.00 C +ATOM 951 OG1 THR A 62 8.814 4.366 -15.909 1.00 1.00 O +ATOM 952 CG2 THR A 62 11.021 5.083 -15.699 1.00 1.00 C +ATOM 953 H THR A 62 8.751 4.181 -19.015 1.00 1.00 H +ATOM 954 HA THR A 62 9.193 6.482 -17.225 1.00 1.00 H +ATOM 955 HB THR A 62 10.345 3.641 -17.177 1.00 1.00 H +ATOM 956 HG1 THR A 62 8.021 4.234 -16.504 1.00 1.00 H +ATOM 957 HG21 THR A 62 10.607 5.939 -15.168 1.00 1.00 H +ATOM 958 HG22 THR A 62 11.276 4.299 -14.985 1.00 1.00 H +ATOM 959 HG23 THR A 62 11.919 5.390 -16.236 1.00 1.00 H +ATOM 960 N ALA A 63 11.486 7.028 -18.102 1.00 1.00 N +ATOM 961 CA ALA A 63 12.622 7.566 -18.830 1.00 1.00 C +ATOM 962 C ALA A 63 13.731 6.512 -18.886 1.00 1.00 C +ATOM 963 O ALA A 63 14.081 6.032 -19.963 1.00 1.00 O +ATOM 964 CB ALA A 63 13.085 8.864 -18.168 1.00 1.00 C +ATOM 965 H ALA A 63 11.324 7.441 -17.206 1.00 1.00 H +ATOM 966 HA ALA A 63 12.291 7.786 -19.844 1.00 1.00 H +ATOM 967 HB1 ALA A 63 13.027 8.760 -17.084 1.00 1.00 H +ATOM 968 HB2 ALA A 63 14.114 9.073 -18.458 1.00 1.00 H +ATOM 969 HB3 ALA A 63 12.443 9.684 -18.490 1.00 1.00 H +ATOM 970 N SER A 64 14.253 6.184 -17.712 1.00 1.00 N +ATOM 971 CA SER A 64 15.314 5.197 -17.615 1.00 1.00 C +ATOM 972 C SER A 64 15.705 4.993 -16.150 1.00 1.00 C +ATOM 973 O SER A 64 15.762 3.861 -15.672 1.00 1.00 O +ATOM 974 CB SER A 64 16.535 5.619 -18.435 1.00 1.00 C +ATOM 975 OG SER A 64 17.357 4.507 -18.777 1.00 1.00 O +ATOM 976 H SER A 64 13.961 6.581 -16.842 1.00 1.00 H +ATOM 977 HA SER A 64 14.896 4.281 -18.031 1.00 1.00 H +ATOM 978 HB2 SER A 64 16.205 6.120 -19.346 1.00 1.00 H +ATOM 979 HB3 SER A 64 17.121 6.343 -17.869 1.00 1.00 H +ATOM 980 HG SER A 64 17.934 4.256 -18.001 1.00 1.00 H +ATOM 981 N ASP A 65 15.963 6.106 -15.478 1.00 1.00 N +ATOM 982 CA ASP A 65 16.346 6.063 -14.077 1.00 1.00 C +ATOM 983 C ASP A 65 15.135 5.659 -13.233 1.00 1.00 C +ATOM 984 O ASP A 65 15.262 4.877 -12.293 1.00 1.00 O +ATOM 985 CB ASP A 65 16.823 7.433 -13.594 1.00 1.00 C +ATOM 986 CG ASP A 65 17.979 8.036 -14.395 1.00 1.00 C +ATOM 987 OD1 ASP A 65 17.698 8.541 -15.504 1.00 1.00 O +ATOM 988 OD2 ASP A 65 19.118 7.976 -13.881 1.00 1.00 O +ATOM 989 H ASP A 65 15.914 7.022 -15.875 1.00 1.00 H +ATOM 990 HA ASP A 65 17.153 5.332 -14.024 1.00 1.00 H +ATOM 991 HB2 ASP A 65 15.982 8.125 -13.623 1.00 1.00 H +ATOM 992 HB3 ASP A 65 17.129 7.348 -12.551 1.00 1.00 H +ATOM 993 N GLY A 66 13.989 6.210 -13.601 1.00 1.00 N +ATOM 994 CA GLY A 66 12.755 5.918 -12.890 1.00 1.00 C +ATOM 995 C GLY A 66 11.694 6.984 -13.170 1.00 1.00 C +ATOM 996 O GLY A 66 10.497 6.713 -13.081 1.00 1.00 O +ATOM 997 H GLY A 66 13.893 6.846 -14.369 1.00 1.00 H +ATOM 998 HA2 GLY A 66 12.381 4.939 -13.192 1.00 1.00 H +ATOM 999 HA3 GLY A 66 12.952 5.867 -11.819 1.00 1.00 H +ATOM 1000 N LYS A 67 12.172 8.175 -13.502 1.00 1.00 N +ATOM 1001 CA LYS A 67 11.279 9.284 -13.795 1.00 1.00 C +ATOM 1002 C LYS A 67 10.169 8.806 -14.733 1.00 1.00 C +ATOM 1003 O LYS A 67 10.433 8.093 -15.702 1.00 1.00 O +ATOM 1004 CB LYS A 67 12.068 10.478 -14.334 1.00 1.00 C +ATOM 1005 CG LYS A 67 13.356 10.690 -13.537 1.00 1.00 C +ATOM 1006 CD LYS A 67 13.546 12.166 -13.183 1.00 1.00 C +ATOM 1007 CE LYS A 67 12.997 12.470 -11.788 1.00 1.00 C +ATOM 1008 NZ LYS A 67 13.926 13.351 -11.046 1.00 1.00 N +ATOM 1009 H LYS A 67 13.146 8.388 -13.571 1.00 1.00 H +ATOM 1010 HA LYS A 67 10.826 9.597 -12.855 1.00 1.00 H +ATOM 1011 HB2 LYS A 67 12.309 10.316 -15.385 1.00 1.00 H +ATOM 1012 HB3 LYS A 67 11.454 11.378 -14.285 1.00 1.00 H +ATOM 1013 HG2 LYS A 67 13.325 10.094 -12.624 1.00 1.00 H +ATOM 1014 HG3 LYS A 67 14.210 10.339 -14.118 1.00 1.00 H +ATOM 1015 HD2 LYS A 67 14.605 12.420 -13.224 1.00 1.00 H +ATOM 1016 HD3 LYS A 67 13.040 12.789 -13.920 1.00 1.00 H +ATOM 1017 HE2 LYS A 67 12.020 12.949 -11.871 1.00 1.00 H +ATOM 1018 HE3 LYS A 67 12.851 11.542 -11.237 1.00 1.00 H +ATOM 1019 HZ1 LYS A 67 14.868 13.113 -11.279 1.00 1.00 H +ATOM 1020 HZ2 LYS A 67 13.752 14.305 -11.295 1.00 1.00 H +ATOM 1021 HZ3 LYS A 67 13.784 13.233 -10.062 1.00 1.00 H +ATOM 1022 N LEU A 68 8.950 9.214 -14.415 1.00 1.00 N +ATOM 1023 CA LEU A 68 7.800 8.837 -15.217 1.00 1.00 C +ATOM 1024 C LEU A 68 7.361 10.032 -16.065 1.00 1.00 C +ATOM 1025 O LEU A 68 7.001 11.079 -15.531 1.00 1.00 O +ATOM 1026 CB LEU A 68 6.689 8.273 -14.329 1.00 1.00 C +ATOM 1027 CG LEU A 68 7.109 7.182 -13.340 1.00 1.00 C +ATOM 1028 CD1 LEU A 68 7.463 7.783 -11.979 1.00 1.00 C +ATOM 1029 CD2 LEU A 68 6.033 6.101 -13.228 1.00 1.00 C +ATOM 1030 H LEU A 68 8.744 9.793 -13.625 1.00 1.00 H +ATOM 1031 HA LEU A 68 8.116 8.036 -15.885 1.00 1.00 H +ATOM 1032 HB2 LEU A 68 6.247 9.096 -13.766 1.00 1.00 H +ATOM 1033 HB3 LEU A 68 5.906 7.870 -14.972 1.00 1.00 H +ATOM 1034 HG LEU A 68 8.009 6.702 -13.724 1.00 1.00 H +ATOM 1035 HD11 LEU A 68 8.172 8.599 -12.116 1.00 1.00 H +ATOM 1036 HD12 LEU A 68 6.558 8.163 -11.504 1.00 1.00 H +ATOM 1037 HD13 LEU A 68 7.909 7.015 -11.349 1.00 1.00 H +ATOM 1038 HD21 LEU A 68 5.094 6.478 -13.635 1.00 1.00 H +ATOM 1039 HD22 LEU A 68 6.343 5.219 -13.788 1.00 1.00 H +ATOM 1040 HD23 LEU A 68 5.894 5.834 -12.180 1.00 1.00 H +ATOM 1041 N TYR A 69 7.406 9.834 -17.376 1.00 1.00 N +ATOM 1042 CA TYR A 69 7.018 10.882 -18.304 1.00 1.00 C +ATOM 1043 C TYR A 69 5.892 10.410 -19.225 1.00 1.00 C +ATOM 1044 O TYR A 69 5.813 9.228 -19.558 1.00 1.00 O +ATOM 1045 CB TYR A 69 8.259 11.180 -19.147 1.00 1.00 C +ATOM 1046 CG TYR A 69 8.530 10.148 -20.241 1.00 1.00 C +ATOM 1047 CD1 TYR A 69 7.616 9.963 -21.259 1.00 1.00 C +ATOM 1048 CD2 TYR A 69 9.691 9.400 -20.213 1.00 1.00 C +ATOM 1049 CE1 TYR A 69 7.871 8.990 -22.289 1.00 1.00 C +ATOM 1050 CE2 TYR A 69 9.945 8.427 -21.244 1.00 1.00 C +ATOM 1051 CZ TYR A 69 9.023 8.270 -22.230 1.00 1.00 C +ATOM 1052 OH TYR A 69 9.265 7.352 -23.205 1.00 1.00 O +ATOM 1053 H TYR A 69 7.701 8.979 -17.803 1.00 1.00 H +ATOM 1054 HA TYR A 69 6.666 11.734 -17.722 1.00 1.00 H +ATOM 1055 HB2 TYR A 69 8.146 12.162 -19.608 1.00 1.00 H +ATOM 1056 HB3 TYR A 69 9.127 11.235 -18.489 1.00 1.00 H +ATOM 1057 HD1 TYR A 69 6.700 10.553 -21.282 1.00 1.00 H +ATOM 1058 HD2 TYR A 69 10.413 9.545 -19.411 1.00 1.00 H +ATOM 1059 HE1 TYR A 69 7.158 8.834 -23.098 1.00 1.00 H +ATOM 1060 HE2 TYR A 69 10.858 7.830 -21.233 1.00 1.00 H +ATOM 1061 HH TYR A 69 8.413 6.901 -23.468 1.00 1.00 H +ATOM 1062 N VAL A 70 5.049 11.356 -19.611 1.00 1.00 N +ATOM 1063 CA VAL A 70 3.932 11.050 -20.489 1.00 1.00 C +ATOM 1064 C VAL A 70 4.219 11.604 -21.885 1.00 1.00 C +ATOM 1065 O VAL A 70 3.575 11.210 -22.857 1.00 1.00 O +ATOM 1066 CB VAL A 70 2.632 11.590 -19.887 1.00 1.00 C +ATOM 1067 CG1 VAL A 70 1.418 10.841 -20.442 1.00 1.00 C +ATOM 1068 CG2 VAL A 70 2.666 11.522 -18.358 1.00 1.00 C +ATOM 1069 H VAL A 70 5.120 12.315 -19.336 1.00 1.00 H +ATOM 1070 HA VAL A 70 3.849 9.965 -20.551 1.00 1.00 H +ATOM 1071 HB VAL A 70 2.539 12.638 -20.173 1.00 1.00 H +ATOM 1072 HG11 VAL A 70 1.756 10.032 -21.090 1.00 1.00 H +ATOM 1073 HG12 VAL A 70 0.839 10.427 -19.617 1.00 1.00 H +ATOM 1074 HG13 VAL A 70 0.796 11.530 -21.013 1.00 1.00 H +ATOM 1075 HG21 VAL A 70 2.898 10.506 -18.045 1.00 1.00 H +ATOM 1076 HG22 VAL A 70 3.431 12.201 -17.982 1.00 1.00 H +ATOM 1077 HG23 VAL A 70 1.693 11.814 -17.960 1.00 1.00 H +ATOM 1078 N SER A 71 5.183 12.509 -21.941 1.00 1.00 N +ATOM 1079 CA SER A 71 5.564 13.121 -23.202 1.00 1.00 C +ATOM 1080 C SER A 71 7.088 13.174 -23.321 1.00 1.00 C +ATOM 1081 O SER A 71 7.621 13.690 -24.302 1.00 1.00 O +ATOM 1082 CB SER A 71 4.973 14.527 -23.334 1.00 1.00 C +ATOM 1083 OG SER A 71 5.370 15.162 -24.546 1.00 1.00 O +ATOM 1084 H SER A 71 5.702 12.825 -21.146 1.00 1.00 H +ATOM 1085 HA SER A 71 5.142 12.477 -23.974 1.00 1.00 H +ATOM 1086 HB2 SER A 71 3.885 14.468 -23.295 1.00 1.00 H +ATOM 1087 HB3 SER A 71 5.288 15.133 -22.486 1.00 1.00 H +ATOM 1088 HG SER A 71 6.262 14.817 -24.836 1.00 1.00 H +ATOM 1089 N SER A 72 7.746 12.631 -22.308 1.00 1.00 N +ATOM 1090 CA SER A 72 9.200 12.610 -22.286 1.00 1.00 C +ATOM 1091 C SER A 72 9.736 13.965 -21.823 1.00 1.00 C +ATOM 1092 O SER A 72 10.605 14.030 -20.953 1.00 1.00 O +ATOM 1093 CB SER A 72 9.766 12.258 -23.663 1.00 1.00 C +ATOM 1094 OG SER A 72 10.673 11.160 -23.602 1.00 1.00 O +ATOM 1095 H SER A 72 7.306 12.214 -21.514 1.00 1.00 H +ATOM 1096 HA SER A 72 9.465 11.829 -21.574 1.00 1.00 H +ATOM 1097 HB2 SER A 72 8.948 12.014 -24.340 1.00 1.00 H +ATOM 1098 HB3 SER A 72 10.276 13.127 -24.079 1.00 1.00 H +ATOM 1099 HG SER A 72 11.362 11.325 -22.895 1.00 1.00 H +ATOM 1100 N GLU A 73 9.198 15.017 -22.423 1.00 1.00 N +ATOM 1101 CA GLU A 73 9.610 16.367 -22.082 1.00 1.00 C +ATOM 1102 C GLU A 73 9.001 16.787 -20.743 1.00 1.00 C +ATOM 1103 O GLU A 73 9.266 17.884 -20.253 1.00 1.00 O +ATOM 1104 CB GLU A 73 9.234 17.353 -23.189 1.00 1.00 C +ATOM 1105 CG GLU A 73 8.059 16.825 -24.016 1.00 1.00 C +ATOM 1106 CD GLU A 73 7.456 17.932 -24.883 1.00 1.00 C +ATOM 1107 OE1 GLU A 73 8.256 18.652 -25.518 1.00 1.00 O +ATOM 1108 OE2 GLU A 73 6.210 18.034 -24.889 1.00 1.00 O +ATOM 1109 H GLU A 73 8.491 14.956 -23.127 1.00 1.00 H +ATOM 1110 HA GLU A 73 10.697 16.324 -21.996 1.00 1.00 H +ATOM 1111 HB2 GLU A 73 8.971 18.315 -22.752 1.00 1.00 H +ATOM 1112 HB3 GLU A 73 10.093 17.520 -23.839 1.00 1.00 H +ATOM 1113 HG2 GLU A 73 8.395 16.003 -24.650 1.00 1.00 H +ATOM 1114 HG3 GLU A 73 7.294 16.421 -23.352 1.00 1.00 H +ATOM 1115 N SER A 74 8.195 15.893 -20.191 1.00 1.00 N +ATOM 1116 CA SER A 74 7.544 16.158 -18.918 1.00 1.00 C +ATOM 1117 C SER A 74 7.641 14.926 -18.014 1.00 1.00 C +ATOM 1118 O SER A 74 6.644 14.251 -17.771 1.00 1.00 O +ATOM 1119 CB SER A 74 6.080 16.555 -19.119 1.00 1.00 C +ATOM 1120 OG SER A 74 5.578 16.121 -20.380 1.00 1.00 O +ATOM 1121 H SER A 74 7.984 15.004 -20.596 1.00 1.00 H +ATOM 1122 HA SER A 74 8.090 16.995 -18.483 1.00 1.00 H +ATOM 1123 HB2 SER A 74 5.475 16.124 -18.321 1.00 1.00 H +ATOM 1124 HB3 SER A 74 5.984 17.637 -19.043 1.00 1.00 H +ATOM 1125 HG SER A 74 5.006 16.834 -20.784 1.00 1.00 H +ATOM 1126 N ARG A 75 8.853 14.673 -17.541 1.00 1.00 N +ATOM 1127 CA ARG A 75 9.093 13.535 -16.671 1.00 1.00 C +ATOM 1128 C ARG A 75 8.834 13.919 -15.212 1.00 1.00 C +ATOM 1129 O ARG A 75 9.104 15.048 -14.806 1.00 1.00 O +ATOM 1130 CB ARG A 75 10.530 13.030 -16.809 1.00 1.00 C +ATOM 1131 CG ARG A 75 11.256 13.745 -17.950 1.00 1.00 C +ATOM 1132 CD ARG A 75 12.487 12.955 -18.398 1.00 1.00 C +ATOM 1133 NE ARG A 75 13.695 13.805 -18.308 1.00 1.00 N +ATOM 1134 CZ ARG A 75 14.307 14.122 -17.160 1.00 1.00 C +ATOM 1135 NH1 ARG A 75 13.829 13.660 -15.996 1.00 1.00 N +ATOM 1136 NH2 ARG A 75 15.397 14.900 -17.173 1.00 1.00 N +ATOM 1137 H ARG A 75 9.660 15.229 -17.743 1.00 1.00 H +ATOM 1138 HA ARG A 75 8.389 12.773 -17.006 1.00 1.00 H +ATOM 1139 HB2 ARG A 75 11.068 13.189 -15.874 1.00 1.00 H +ATOM 1140 HB3 ARG A 75 10.525 11.955 -16.995 1.00 1.00 H +ATOM 1141 HG2 ARG A 75 10.577 13.877 -18.793 1.00 1.00 H +ATOM 1142 HG3 ARG A 75 11.557 14.742 -17.626 1.00 1.00 H +ATOM 1143 HD2 ARG A 75 12.608 12.070 -17.774 1.00 1.00 H +ATOM 1144 HD3 ARG A 75 12.353 12.607 -19.423 1.00 1.00 H +ATOM 1145 HE ARG A 75 14.078 14.167 -19.158 1.00 1.00 H +ATOM 1146 HH11 ARG A 75 13.014 13.080 -15.985 1.00 1.00 H +ATOM 1147 HH12 ARG A 75 14.285 13.898 -15.139 1.00 1.00 H +ATOM 1148 HH21 ARG A 75 15.755 15.245 -18.042 1.00 1.00 H +ATOM 1149 HH22 ARG A 75 15.855 15.137 -16.315 1.00 1.00 H +ATOM 1150 N PHE A 76 8.313 12.957 -14.464 1.00 1.00 N +ATOM 1151 CA PHE A 76 8.014 13.181 -13.060 1.00 1.00 C +ATOM 1152 C PHE A 76 8.431 11.978 -12.212 1.00 1.00 C +ATOM 1153 O PHE A 76 8.131 10.836 -12.559 1.00 1.00 O +ATOM 1154 CB PHE A 76 6.499 13.366 -12.950 1.00 1.00 C +ATOM 1155 CG PHE A 76 5.954 14.539 -13.768 1.00 1.00 C +ATOM 1156 CD1 PHE A 76 5.950 15.793 -13.241 1.00 1.00 C +ATOM 1157 CD2 PHE A 76 5.474 14.327 -15.023 1.00 1.00 C +ATOM 1158 CE1 PHE A 76 5.445 16.881 -14.002 1.00 1.00 C +ATOM 1159 CE2 PHE A 76 4.969 15.414 -15.783 1.00 1.00 C +ATOM 1160 CZ PHE A 76 4.965 16.668 -15.256 1.00 1.00 C +ATOM 1161 H PHE A 76 8.096 12.041 -14.801 1.00 1.00 H +ATOM 1162 HA PHE A 76 8.578 14.059 -12.745 1.00 1.00 H +ATOM 1163 HB2 PHE A 76 6.005 12.450 -13.273 1.00 1.00 H +ATOM 1164 HB3 PHE A 76 6.237 13.516 -11.902 1.00 1.00 H +ATOM 1165 HD1 PHE A 76 6.334 15.963 -12.235 1.00 1.00 H +ATOM 1166 HD2 PHE A 76 5.478 13.322 -15.446 1.00 1.00 H +ATOM 1167 HE1 PHE A 76 5.440 17.884 -13.579 1.00 1.00 H +ATOM 1168 HE2 PHE A 76 4.584 15.245 -16.789 1.00 1.00 H +ATOM 1169 HZ PHE A 76 4.576 17.503 -15.839 1.00 1.00 H +ATOM 1170 N ASN A 77 9.116 12.274 -11.117 1.00 1.00 N +ATOM 1171 CA ASN A 77 9.578 11.230 -10.219 1.00 1.00 C +ATOM 1172 C ASN A 77 8.405 10.745 -9.362 1.00 1.00 C +ATOM 1173 O ASN A 77 8.339 9.571 -9.003 1.00 1.00 O +ATOM 1174 CB ASN A 77 10.664 11.754 -9.277 1.00 1.00 C +ATOM 1175 CG ASN A 77 10.187 11.736 -7.825 1.00 1.00 C +ATOM 1176 OD1 ASN A 77 10.024 10.694 -7.210 1.00 1.00 O +ATOM 1177 ND2 ASN A 77 9.973 12.943 -7.309 1.00 1.00 N +ATOM 1178 H ASN A 77 9.355 13.204 -10.842 1.00 1.00 H +ATOM 1179 HA ASN A 77 9.973 10.447 -10.867 1.00 1.00 H +ATOM 1180 HB2 ASN A 77 11.561 11.145 -9.377 1.00 1.00 H +ATOM 1181 HB3 ASN A 77 10.936 12.772 -9.561 1.00 1.00 H +ATOM 1182 HD21 ASN A 77 10.125 13.759 -7.867 1.00 1.00 H +ATOM 1183 HD22 ASN A 77 9.659 13.036 -6.365 1.00 1.00 H +ATOM 1184 N THR A 78 7.510 11.674 -9.062 1.00 1.00 N +ATOM 1185 CA THR A 78 6.344 11.356 -8.255 1.00 1.00 C +ATOM 1186 C THR A 78 5.079 11.366 -9.117 1.00 1.00 C +ATOM 1187 O THR A 78 4.948 12.189 -10.022 1.00 1.00 O +ATOM 1188 CB THR A 78 6.292 12.344 -7.089 1.00 1.00 C +ATOM 1189 OG1 THR A 78 6.873 13.534 -7.615 1.00 1.00 O +ATOM 1190 CG2 THR A 78 7.226 11.948 -5.943 1.00 1.00 C +ATOM 1191 H THR A 78 7.571 12.627 -9.358 1.00 1.00 H +ATOM 1192 HA THR A 78 6.459 10.343 -7.869 1.00 1.00 H +ATOM 1193 HB THR A 78 5.270 12.473 -6.731 1.00 1.00 H +ATOM 1194 HG1 THR A 78 7.870 13.449 -7.630 1.00 1.00 H +ATOM 1195 HG21 THR A 78 8.106 11.451 -6.347 1.00 1.00 H +ATOM 1196 HG22 THR A 78 7.530 12.842 -5.397 1.00 1.00 H +ATOM 1197 HG23 THR A 78 6.704 11.271 -5.267 1.00 1.00 H +ATOM 1198 N LEU A 79 4.182 10.443 -8.806 1.00 1.00 N +ATOM 1199 CA LEU A 79 2.933 10.335 -9.540 1.00 1.00 C +ATOM 1200 C LEU A 79 2.185 11.668 -9.463 1.00 1.00 C +ATOM 1201 O LEU A 79 1.931 12.302 -10.487 1.00 1.00 O +ATOM 1202 CB LEU A 79 2.118 9.142 -9.040 1.00 1.00 C +ATOM 1203 CG LEU A 79 2.174 7.881 -9.904 1.00 1.00 C +ATOM 1204 CD1 LEU A 79 3.189 6.881 -9.350 1.00 1.00 C +ATOM 1205 CD2 LEU A 79 0.785 7.260 -10.060 1.00 1.00 C +ATOM 1206 H LEU A 79 4.296 9.778 -8.068 1.00 1.00 H +ATOM 1207 HA LEU A 79 3.183 10.139 -10.583 1.00 1.00 H +ATOM 1208 HB2 LEU A 79 2.463 8.886 -8.037 1.00 1.00 H +ATOM 1209 HB3 LEU A 79 1.076 9.450 -8.950 1.00 1.00 H +ATOM 1210 HG LEU A 79 2.512 8.165 -10.900 1.00 1.00 H +ATOM 1211 HD11 LEU A 79 4.177 7.340 -9.326 1.00 1.00 H +ATOM 1212 HD12 LEU A 79 2.900 6.591 -8.339 1.00 1.00 H +ATOM 1213 HD13 LEU A 79 3.215 5.997 -9.987 1.00 1.00 H +ATOM 1214 HD21 LEU A 79 0.185 7.488 -9.179 1.00 1.00 H +ATOM 1215 HD22 LEU A 79 0.300 7.671 -10.946 1.00 1.00 H +ATOM 1216 HD23 LEU A 79 0.879 6.180 -10.165 1.00 1.00 H +ATOM 1217 N ALA A 80 1.851 12.052 -8.240 1.00 1.00 N +ATOM 1218 CA ALA A 80 1.136 13.297 -8.015 1.00 1.00 C +ATOM 1219 C ALA A 80 1.758 14.398 -8.876 1.00 1.00 C +ATOM 1220 O ALA A 80 1.059 15.064 -9.640 1.00 1.00 O +ATOM 1221 CB ALA A 80 1.160 13.639 -6.524 1.00 1.00 C +ATOM 1222 H ALA A 80 2.059 11.530 -7.413 1.00 1.00 H +ATOM 1223 HA ALA A 80 0.102 13.146 -8.325 1.00 1.00 H +ATOM 1224 HB1 ALA A 80 1.977 13.102 -6.043 1.00 1.00 H +ATOM 1225 HB2 ALA A 80 1.306 14.711 -6.400 1.00 1.00 H +ATOM 1226 HB3 ALA A 80 0.215 13.344 -6.069 1.00 1.00 H +ATOM 1227 N GLU A 81 3.064 14.559 -8.724 1.00 1.00 N +ATOM 1228 CA GLU A 81 3.787 15.569 -9.477 1.00 1.00 C +ATOM 1229 C GLU A 81 3.362 15.540 -10.947 1.00 1.00 C +ATOM 1230 O GLU A 81 3.245 16.587 -11.582 1.00 1.00 O +ATOM 1231 CB GLU A 81 5.299 15.376 -9.340 1.00 1.00 C +ATOM 1232 CG GLU A 81 5.867 16.264 -8.231 1.00 1.00 C +ATOM 1233 CD GLU A 81 5.358 15.819 -6.858 1.00 1.00 C +ATOM 1234 OE1 GLU A 81 4.120 15.741 -6.710 1.00 1.00 O +ATOM 1235 OE2 GLU A 81 6.221 15.567 -5.989 1.00 1.00 O +ATOM 1236 H GLU A 81 3.625 14.014 -8.101 1.00 1.00 H +ATOM 1237 HA GLU A 81 3.507 16.521 -9.029 1.00 1.00 H +ATOM 1238 HB2 GLU A 81 5.518 14.330 -9.123 1.00 1.00 H +ATOM 1239 HB3 GLU A 81 5.787 15.614 -10.286 1.00 1.00 H +ATOM 1240 HG2 GLU A 81 6.956 16.224 -8.250 1.00 1.00 H +ATOM 1241 HG3 GLU A 81 5.582 17.301 -8.410 1.00 1.00 H +ATOM 1242 N LEU A 82 3.142 14.333 -11.443 1.00 1.00 N +ATOM 1243 CA LEU A 82 2.732 14.154 -12.826 1.00 1.00 C +ATOM 1244 C LEU A 82 1.411 14.889 -13.059 1.00 1.00 C +ATOM 1245 O LEU A 82 1.338 15.796 -13.888 1.00 1.00 O +ATOM 1246 CB LEU A 82 2.681 12.667 -13.183 1.00 1.00 C +ATOM 1247 CG LEU A 82 2.453 12.339 -14.660 1.00 1.00 C +ATOM 1248 CD1 LEU A 82 3.449 11.285 -15.147 1.00 1.00 C +ATOM 1249 CD2 LEU A 82 1.003 11.918 -14.910 1.00 1.00 C +ATOM 1250 H LEU A 82 3.240 13.486 -10.920 1.00 1.00 H +ATOM 1251 HA LEU A 82 3.497 14.610 -13.454 1.00 1.00 H +ATOM 1252 HB2 LEU A 82 3.617 12.207 -12.869 1.00 1.00 H +ATOM 1253 HB3 LEU A 82 1.887 12.201 -12.600 1.00 1.00 H +ATOM 1254 HG LEU A 82 2.631 13.244 -15.242 1.00 1.00 H +ATOM 1255 HD11 LEU A 82 3.838 10.731 -14.294 1.00 1.00 H +ATOM 1256 HD12 LEU A 82 2.947 10.599 -15.828 1.00 1.00 H +ATOM 1257 HD13 LEU A 82 4.271 11.776 -15.666 1.00 1.00 H +ATOM 1258 HD21 LEU A 82 0.698 11.197 -14.151 1.00 1.00 H +ATOM 1259 HD22 LEU A 82 0.357 12.794 -14.860 1.00 1.00 H +ATOM 1260 HD23 LEU A 82 0.923 11.464 -15.898 1.00 1.00 H +ATOM 1261 N VAL A 83 0.398 14.469 -12.316 1.00 1.00 N +ATOM 1262 CA VAL A 83 -0.918 15.075 -12.431 1.00 1.00 C +ATOM 1263 C VAL A 83 -0.809 16.575 -12.152 1.00 1.00 C +ATOM 1264 O VAL A 83 -1.493 17.378 -12.784 1.00 1.00 O +ATOM 1265 CB VAL A 83 -1.906 14.363 -11.504 1.00 1.00 C +ATOM 1266 CG1 VAL A 83 -3.074 15.283 -11.139 1.00 1.00 C +ATOM 1267 CG2 VAL A 83 -2.406 13.062 -12.132 1.00 1.00 C +ATOM 1268 H VAL A 83 0.465 13.730 -11.645 1.00 1.00 H +ATOM 1269 HA VAL A 83 -1.257 14.933 -13.458 1.00 1.00 H +ATOM 1270 HB VAL A 83 -1.378 14.111 -10.584 1.00 1.00 H +ATOM 1271 HG11 VAL A 83 -2.705 16.297 -10.991 1.00 1.00 H +ATOM 1272 HG12 VAL A 83 -3.806 15.277 -11.946 1.00 1.00 H +ATOM 1273 HG13 VAL A 83 -3.542 14.927 -10.221 1.00 1.00 H +ATOM 1274 HG21 VAL A 83 -1.750 12.779 -12.955 1.00 1.00 H +ATOM 1275 HG22 VAL A 83 -2.406 12.272 -11.380 1.00 1.00 H +ATOM 1276 HG23 VAL A 83 -3.419 13.206 -12.508 1.00 1.00 H +ATOM 1277 N HIS A 84 0.055 16.907 -11.205 1.00 1.00 N +ATOM 1278 CA HIS A 84 0.262 18.298 -10.834 1.00 1.00 C +ATOM 1279 C HIS A 84 0.428 19.147 -12.096 1.00 1.00 C +ATOM 1280 O HIS A 84 -0.351 20.068 -12.335 1.00 1.00 O +ATOM 1281 CB HIS A 84 1.443 18.432 -9.870 1.00 1.00 C +ATOM 1282 CG HIS A 84 1.061 18.935 -8.498 1.00 1.00 C +ATOM 1283 ND1 HIS A 84 -0.209 18.779 -7.970 1.00 1.00 N +ATOM 1284 CD2 HIS A 84 1.793 19.592 -7.554 1.00 1.00 C +ATOM 1285 CE1 HIS A 84 -0.229 19.322 -6.761 1.00 1.00 C +ATOM 1286 NE2 HIS A 84 1.013 19.825 -6.505 1.00 1.00 N +ATOM 1287 H HIS A 84 0.608 16.247 -10.696 1.00 1.00 H +ATOM 1288 HA HIS A 84 -0.636 18.617 -10.306 1.00 1.00 H +ATOM 1289 HB2 HIS A 84 1.927 17.461 -9.767 1.00 1.00 H +ATOM 1290 HB3 HIS A 84 2.177 19.112 -10.303 1.00 1.00 H +ATOM 1291 HD1 HIS A 84 -0.980 18.332 -8.422 1.00 1.00 H +ATOM 1292 HD2 HIS A 84 2.842 19.877 -7.645 1.00 1.00 H +ATOM 1293 HE1 HIS A 84 -1.086 19.359 -6.088 1.00 1.00 H +ATOM 1294 N HIS A 85 1.447 18.805 -12.871 1.00 1.00 N +ATOM 1295 CA HIS A 85 1.725 19.524 -14.102 1.00 1.00 C +ATOM 1296 C HIS A 85 0.584 19.299 -15.098 1.00 1.00 C +ATOM 1297 O HIS A 85 0.007 20.255 -15.613 1.00 1.00 O +ATOM 1298 CB HIS A 85 3.090 19.127 -14.667 1.00 1.00 C +ATOM 1299 CG HIS A 85 3.290 19.506 -16.114 1.00 1.00 C +ATOM 1300 ND1 HIS A 85 3.486 20.813 -16.528 1.00 1.00 N +ATOM 1301 CD2 HIS A 85 3.323 18.739 -17.241 1.00 1.00 C +ATOM 1302 CE1 HIS A 85 3.629 20.819 -17.845 1.00 1.00 C +ATOM 1303 NE2 HIS A 85 3.526 19.534 -18.285 1.00 1.00 N +ATOM 1304 H HIS A 85 2.075 18.052 -12.670 1.00 1.00 H +ATOM 1305 HA HIS A 85 1.767 20.582 -13.844 1.00 1.00 H +ATOM 1306 HB2 HIS A 85 3.870 19.596 -14.068 1.00 1.00 H +ATOM 1307 HB3 HIS A 85 3.216 18.048 -14.565 1.00 1.00 H +ATOM 1308 HD1 HIS A 85 3.515 21.616 -15.932 1.00 1.00 H +ATOM 1309 HD2 HIS A 85 3.203 17.656 -17.279 1.00 1.00 H +ATOM 1310 HE1 HIS A 85 3.797 21.698 -18.465 1.00 1.00 H +ATOM 1311 N HIS A 86 0.292 18.028 -15.336 1.00 1.00 N +ATOM 1312 CA HIS A 86 -0.770 17.665 -16.259 1.00 1.00 C +ATOM 1313 C HIS A 86 -2.111 18.170 -15.724 1.00 1.00 C +ATOM 1314 O HIS A 86 -3.156 17.916 -16.319 1.00 1.00 O +ATOM 1315 CB HIS A 86 -0.767 16.158 -16.523 1.00 1.00 C +ATOM 1316 CG HIS A 86 0.442 15.670 -17.285 1.00 1.00 C +ATOM 1317 ND1 HIS A 86 0.981 16.358 -18.359 1.00 1.00 N +ATOM 1318 CD2 HIS A 86 1.212 14.556 -17.116 1.00 1.00 C +ATOM 1319 CE1 HIS A 86 2.025 15.680 -18.809 1.00 1.00 C +ATOM 1320 NE2 HIS A 86 2.168 14.563 -18.038 1.00 1.00 N +ATOM 1321 H HIS A 86 0.767 17.256 -14.912 1.00 1.00 H +ATOM 1322 HA HIS A 86 -0.551 18.168 -17.201 1.00 1.00 H +ATOM 1323 HB2 HIS A 86 -0.820 15.632 -15.571 1.00 1.00 H +ATOM 1324 HB3 HIS A 86 -1.665 15.896 -17.083 1.00 1.00 H +ATOM 1325 HD1 HIS A 86 0.638 17.221 -18.732 1.00 1.00 H +ATOM 1326 HD2 HIS A 86 1.068 13.791 -16.355 1.00 1.00 H +ATOM 1327 HE1 HIS A 86 2.661 15.964 -19.648 1.00 1.00 H +ATOM 1328 N SER A 87 -2.036 18.878 -14.606 1.00 1.00 N +ATOM 1329 CA SER A 87 -3.232 19.422 -13.984 1.00 1.00 C +ATOM 1330 C SER A 87 -3.792 20.561 -14.836 1.00 1.00 C +ATOM 1331 O SER A 87 -4.985 20.586 -15.137 1.00 1.00 O +ATOM 1332 CB SER A 87 -2.938 19.915 -12.565 1.00 1.00 C +ATOM 1333 OG SER A 87 -4.132 20.134 -11.818 1.00 1.00 O +ATOM 1334 H SER A 87 -1.182 19.080 -14.128 1.00 1.00 H +ATOM 1335 HA SER A 87 -3.937 18.592 -13.941 1.00 1.00 H +ATOM 1336 HB2 SER A 87 -2.318 19.182 -12.048 1.00 1.00 H +ATOM 1337 HB3 SER A 87 -2.365 20.840 -12.614 1.00 1.00 H +ATOM 1338 HG SER A 87 -4.766 20.700 -12.347 1.00 1.00 H +ATOM 1339 N THR A 88 -2.906 21.477 -15.201 1.00 1.00 N +ATOM 1340 CA THR A 88 -3.298 22.616 -16.012 1.00 1.00 C +ATOM 1341 C THR A 88 -2.629 22.549 -17.386 1.00 1.00 C +ATOM 1342 O THR A 88 -3.135 23.109 -18.356 1.00 1.00 O +ATOM 1343 CB THR A 88 -2.961 23.890 -15.234 1.00 1.00 C +ATOM 1344 OG1 THR A 88 -3.370 24.944 -16.100 1.00 1.00 O +ATOM 1345 CG2 THR A 88 -1.454 24.099 -15.077 1.00 1.00 C +ATOM 1346 H THR A 88 -1.939 21.448 -14.951 1.00 1.00 H +ATOM 1347 HA THR A 88 -4.375 22.566 -16.179 1.00 1.00 H +ATOM 1348 HB THR A 88 -3.459 23.896 -14.264 1.00 1.00 H +ATOM 1349 HG1 THR A 88 -2.777 25.739 -15.976 1.00 1.00 H +ATOM 1350 HG21 THR A 88 -0.959 23.131 -15.007 1.00 1.00 H +ATOM 1351 HG22 THR A 88 -1.071 24.641 -15.942 1.00 1.00 H +ATOM 1352 HG23 THR A 88 -1.260 24.673 -14.173 1.00 1.00 H +ATOM 1353 N VAL A 89 -1.499 21.858 -17.424 1.00 1.00 N +ATOM 1354 CA VAL A 89 -0.754 21.709 -18.663 1.00 1.00 C +ATOM 1355 C VAL A 89 -0.544 20.220 -18.951 1.00 1.00 C +ATOM 1356 O VAL A 89 0.542 19.689 -18.729 1.00 1.00 O +ATOM 1357 CB VAL A 89 0.558 22.492 -18.581 1.00 1.00 C +ATOM 1358 CG1 VAL A 89 1.501 22.102 -19.722 1.00 1.00 C +ATOM 1359 CG2 VAL A 89 0.296 24.001 -18.577 1.00 1.00 C +ATOM 1360 H VAL A 89 -1.093 21.403 -16.630 1.00 1.00 H +ATOM 1361 HA VAL A 89 -1.356 22.140 -19.463 1.00 1.00 H +ATOM 1362 HB VAL A 89 1.044 22.235 -17.641 1.00 1.00 H +ATOM 1363 HG11 VAL A 89 0.929 21.978 -20.640 1.00 1.00 H +ATOM 1364 HG12 VAL A 89 2.246 22.886 -19.861 1.00 1.00 H +ATOM 1365 HG13 VAL A 89 2.001 21.166 -19.475 1.00 1.00 H +ATOM 1366 HG21 VAL A 89 -0.509 24.230 -19.275 1.00 1.00 H +ATOM 1367 HG22 VAL A 89 0.010 24.316 -17.574 1.00 1.00 H +ATOM 1368 HG23 VAL A 89 1.201 24.526 -18.880 1.00 1.00 H +ATOM 1369 N ALA A 90 -1.601 19.592 -19.443 1.00 1.00 N +ATOM 1370 CA ALA A 90 -1.545 18.176 -19.765 1.00 1.00 C +ATOM 1371 C ALA A 90 -0.694 17.975 -21.021 1.00 1.00 C +ATOM 1372 O ALA A 90 -1.203 17.564 -22.061 1.00 1.00 O +ATOM 1373 CB ALA A 90 -2.967 17.635 -19.934 1.00 1.00 C +ATOM 1374 H ALA A 90 -2.481 20.032 -19.622 1.00 1.00 H +ATOM 1375 HA ALA A 90 -1.072 17.663 -18.928 1.00 1.00 H +ATOM 1376 HB1 ALA A 90 -3.558 18.339 -20.520 1.00 1.00 H +ATOM 1377 HB2 ALA A 90 -2.932 16.674 -20.448 1.00 1.00 H +ATOM 1378 HB3 ALA A 90 -3.425 17.505 -18.952 1.00 1.00 H +ATOM 1379 N ASP A 91 0.589 18.273 -20.880 1.00 1.00 N +ATOM 1380 CA ASP A 91 1.517 18.131 -21.989 1.00 1.00 C +ATOM 1381 C ASP A 91 1.898 16.657 -22.144 1.00 1.00 C +ATOM 1382 O ASP A 91 2.976 16.340 -22.644 1.00 1.00 O +ATOM 1383 CB ASP A 91 2.799 18.927 -21.741 1.00 1.00 C +ATOM 1384 CG ASP A 91 2.912 20.233 -22.530 1.00 1.00 C +ATOM 1385 OD1 ASP A 91 2.330 20.281 -23.635 1.00 1.00 O +ATOM 1386 OD2 ASP A 91 3.579 21.154 -22.010 1.00 1.00 O +ATOM 1387 H ASP A 91 0.997 18.607 -20.029 1.00 1.00 H +ATOM 1388 HA ASP A 91 0.985 18.518 -22.859 1.00 1.00 H +ATOM 1389 HB2 ASP A 91 2.867 19.156 -20.677 1.00 1.00 H +ATOM 1390 HB3 ASP A 91 3.655 18.298 -21.986 1.00 1.00 H +ATOM 1391 N GLY A 92 0.992 15.796 -21.704 1.00 1.00 N +ATOM 1392 CA GLY A 92 1.220 14.363 -21.787 1.00 1.00 C +ATOM 1393 C GLY A 92 -0.074 13.621 -22.129 1.00 1.00 C +ATOM 1394 O GLY A 92 -0.210 13.072 -23.222 1.00 1.00 O +ATOM 1395 H GLY A 92 0.118 16.062 -21.299 1.00 1.00 H +ATOM 1396 HA2 GLY A 92 1.973 14.155 -22.547 1.00 1.00 H +ATOM 1397 HA3 GLY A 92 1.613 13.998 -20.840 1.00 1.00 H +ATOM 1398 N LEU A 93 -0.992 13.628 -21.173 1.00 1.00 N +ATOM 1399 CA LEU A 93 -2.271 12.961 -21.359 1.00 1.00 C +ATOM 1400 C LEU A 93 -3.010 13.607 -22.533 1.00 1.00 C +ATOM 1401 O LEU A 93 -2.775 14.769 -22.857 1.00 1.00 O +ATOM 1402 CB LEU A 93 -3.069 12.963 -20.055 1.00 1.00 C +ATOM 1403 CG LEU A 93 -2.301 12.551 -18.797 1.00 1.00 C +ATOM 1404 CD1 LEU A 93 -1.148 11.607 -19.143 1.00 1.00 C +ATOM 1405 CD2 LEU A 93 -1.822 13.780 -18.021 1.00 1.00 C +ATOM 1406 H LEU A 93 -0.873 14.076 -20.287 1.00 1.00 H +ATOM 1407 HA LEU A 93 -2.063 11.922 -21.610 1.00 1.00 H +ATOM 1408 HB2 LEU A 93 -3.472 13.964 -19.899 1.00 1.00 H +ATOM 1409 HB3 LEU A 93 -3.920 12.293 -20.173 1.00 1.00 H +ATOM 1410 HG LEU A 93 -2.981 12.003 -18.145 1.00 1.00 H +ATOM 1411 HD11 LEU A 93 -1.468 10.914 -19.921 1.00 1.00 H +ATOM 1412 HD12 LEU A 93 -0.299 12.188 -19.502 1.00 1.00 H +ATOM 1413 HD13 LEU A 93 -0.857 11.047 -18.255 1.00 1.00 H +ATOM 1414 HD21 LEU A 93 -1.826 14.650 -18.678 1.00 1.00 H +ATOM 1415 HD22 LEU A 93 -2.488 13.959 -17.177 1.00 1.00 H +ATOM 1416 HD23 LEU A 93 -0.811 13.605 -17.654 1.00 1.00 H +ATOM 1417 N ILE A 94 -3.887 12.820 -23.140 1.00 1.00 N +ATOM 1418 CA ILE A 94 -4.662 13.300 -24.272 1.00 1.00 C +ATOM 1419 C ILE A 94 -5.166 14.713 -23.978 1.00 1.00 C +ATOM 1420 O ILE A 94 -4.556 15.694 -24.399 1.00 1.00 O +ATOM 1421 CB ILE A 94 -5.778 12.309 -24.616 1.00 1.00 C +ATOM 1422 CG1 ILE A 94 -6.929 13.010 -25.340 1.00 1.00 C +ATOM 1423 CG2 ILE A 94 -6.253 11.565 -23.367 1.00 1.00 C +ATOM 1424 CD1 ILE A 94 -8.258 12.765 -24.621 1.00 1.00 C +ATOM 1425 H ILE A 94 -4.073 11.876 -22.871 1.00 1.00 H +ATOM 1426 HA ILE A 94 -3.994 13.343 -25.132 1.00 1.00 H +ATOM 1427 HB ILE A 94 -5.373 11.563 -25.299 1.00 1.00 H +ATOM 1428 HG12 ILE A 94 -6.732 14.080 -25.393 1.00 1.00 H +ATOM 1429 HG13 ILE A 94 -6.994 12.645 -26.365 1.00 1.00 H +ATOM 1430 HG21 ILE A 94 -6.330 12.264 -22.533 1.00 1.00 H +ATOM 1431 HG22 ILE A 94 -7.232 11.121 -23.559 1.00 1.00 H +ATOM 1432 HG23 ILE A 94 -5.540 10.779 -23.118 1.00 1.00 H +ATOM 1433 HD11 ILE A 94 -8.119 12.888 -23.547 1.00 1.00 H +ATOM 1434 HD12 ILE A 94 -9.000 13.479 -24.976 1.00 1.00 H +ATOM 1435 HD13 ILE A 94 -8.603 11.752 -24.828 1.00 1.00 H +ATOM 1436 N THR A 95 -6.276 14.775 -23.256 1.00 1.00 N +ATOM 1437 CA THR A 95 -6.869 16.053 -22.901 1.00 1.00 C +ATOM 1438 C THR A 95 -6.132 16.670 -21.708 1.00 1.00 C +ATOM 1439 O THR A 95 -4.904 16.718 -21.691 1.00 1.00 O +ATOM 1440 CB THR A 95 -8.359 15.828 -22.644 1.00 1.00 C +ATOM 1441 OG1 THR A 95 -8.828 17.093 -22.181 1.00 1.00 O +ATOM 1442 CG2 THR A 95 -8.615 14.884 -21.467 1.00 1.00 C +ATOM 1443 H THR A 95 -6.767 13.972 -22.916 1.00 1.00 H +ATOM 1444 HA THR A 95 -6.744 16.736 -23.742 1.00 1.00 H +ATOM 1445 HB THR A 95 -8.861 15.472 -23.544 1.00 1.00 H +ATOM 1446 HG1 THR A 95 -9.656 16.972 -21.635 1.00 1.00 H +ATOM 1447 HG21 THR A 95 -7.953 15.145 -20.641 1.00 1.00 H +ATOM 1448 HG22 THR A 95 -9.652 14.977 -21.144 1.00 1.00 H +ATOM 1449 HG23 THR A 95 -8.422 13.857 -21.777 1.00 1.00 H +ATOM 1450 N THR A 96 -6.915 17.125 -20.742 1.00 1.00 N +ATOM 1451 CA THR A 96 -6.354 17.735 -19.549 1.00 1.00 C +ATOM 1452 C THR A 96 -6.893 17.047 -18.294 1.00 1.00 C +ATOM 1453 O THR A 96 -7.771 16.191 -18.379 1.00 1.00 O +ATOM 1454 CB THR A 96 -6.656 19.234 -19.598 1.00 1.00 C +ATOM 1455 OG1 THR A 96 -7.539 19.446 -18.500 1.00 1.00 O +ATOM 1456 CG2 THR A 96 -7.486 19.624 -20.824 1.00 1.00 C +ATOM 1457 H THR A 96 -7.914 17.080 -20.764 1.00 1.00 H +ATOM 1458 HA THR A 96 -5.275 17.581 -19.560 1.00 1.00 H +ATOM 1459 HB THR A 96 -5.738 19.818 -19.548 1.00 1.00 H +ATOM 1460 HG1 THR A 96 -8.401 18.964 -18.655 1.00 1.00 H +ATOM 1461 HG21 THR A 96 -8.325 18.936 -20.928 1.00 1.00 H +ATOM 1462 HG22 THR A 96 -7.862 20.640 -20.700 1.00 1.00 H +ATOM 1463 HG23 THR A 96 -6.863 19.574 -21.715 1.00 1.00 H +ATOM 1464 N LEU A 97 -6.343 17.449 -17.156 1.00 1.00 N +ATOM 1465 CA LEU A 97 -6.758 16.881 -15.883 1.00 1.00 C +ATOM 1466 C LEU A 97 -7.687 17.865 -15.170 1.00 1.00 C +ATOM 1467 O LEU A 97 -7.276 18.971 -14.821 1.00 1.00 O +ATOM 1468 CB LEU A 97 -5.538 16.475 -15.055 1.00 1.00 C +ATOM 1469 CG LEU A 97 -4.753 15.265 -15.565 1.00 1.00 C +ATOM 1470 CD1 LEU A 97 -3.407 15.143 -14.847 1.00 1.00 C +ATOM 1471 CD2 LEU A 97 -5.583 13.985 -15.451 1.00 1.00 C +ATOM 1472 H LEU A 97 -5.630 18.146 -17.096 1.00 1.00 H +ATOM 1473 HA LEU A 97 -7.318 15.971 -16.099 1.00 1.00 H +ATOM 1474 HB2 LEU A 97 -4.859 17.327 -15.002 1.00 1.00 H +ATOM 1475 HB3 LEU A 97 -5.868 16.267 -14.037 1.00 1.00 H +ATOM 1476 HG LEU A 97 -4.539 15.417 -16.623 1.00 1.00 H +ATOM 1477 HD11 LEU A 97 -3.221 16.045 -14.267 1.00 1.00 H +ATOM 1478 HD12 LEU A 97 -3.429 14.279 -14.180 1.00 1.00 H +ATOM 1479 HD13 LEU A 97 -2.613 15.012 -15.582 1.00 1.00 H +ATOM 1480 HD21 LEU A 97 -6.642 14.230 -15.529 1.00 1.00 H +ATOM 1481 HD22 LEU A 97 -5.309 13.301 -16.254 1.00 1.00 H +ATOM 1482 HD23 LEU A 97 -5.390 13.512 -14.489 1.00 1.00 H +ATOM 1483 N HIS A 98 -8.922 17.427 -14.973 1.00 1.00 N +ATOM 1484 CA HIS A 98 -9.913 18.257 -14.308 1.00 1.00 C +ATOM 1485 C HIS A 98 -10.058 17.812 -12.852 1.00 1.00 C +ATOM 1486 O HIS A 98 -9.250 18.183 -12.001 1.00 1.00 O +ATOM 1487 CB HIS A 98 -11.239 18.236 -15.069 1.00 1.00 C +ATOM 1488 CG HIS A 98 -11.394 17.058 -16.000 1.00 1.00 C +ATOM 1489 ND1 HIS A 98 -10.393 16.649 -16.865 1.00 1.00 N +ATOM 1490 CD2 HIS A 98 -12.442 16.207 -16.194 1.00 1.00 C +ATOM 1491 CE1 HIS A 98 -10.830 15.597 -17.543 1.00 1.00 C +ATOM 1492 NE2 HIS A 98 -12.101 15.325 -17.125 1.00 1.00 N +ATOM 1493 H HIS A 98 -9.248 16.527 -15.260 1.00 1.00 H +ATOM 1494 HA HIS A 98 -9.531 19.277 -14.330 1.00 1.00 H +ATOM 1495 HB2 HIS A 98 -12.059 18.228 -14.351 1.00 1.00 H +ATOM 1496 HB3 HIS A 98 -11.329 19.156 -15.645 1.00 1.00 H +ATOM 1497 HD1 HIS A 98 -9.492 17.073 -16.961 1.00 1.00 H +ATOM 1498 HD2 HIS A 98 -13.398 16.244 -15.671 1.00 1.00 H +ATOM 1499 HE1 HIS A 98 -10.274 15.046 -18.301 1.00 1.00 H +ATOM 1500 N TYR A 99 -11.095 17.022 -12.608 1.00 1.00 N +ATOM 1501 CA TYR A 99 -11.355 16.523 -11.268 1.00 1.00 C +ATOM 1502 C TYR A 99 -11.740 15.042 -11.301 1.00 1.00 C +ATOM 1503 O TYR A 99 -12.827 14.689 -11.757 1.00 1.00 O +ATOM 1504 CB TYR A 99 -12.540 17.334 -10.740 1.00 1.00 C +ATOM 1505 CG TYR A 99 -13.701 17.458 -11.731 1.00 1.00 C +ATOM 1506 CD1 TYR A 99 -13.724 18.496 -12.639 1.00 1.00 C +ATOM 1507 CD2 TYR A 99 -14.723 16.531 -11.715 1.00 1.00 C +ATOM 1508 CE1 TYR A 99 -14.815 18.614 -13.571 1.00 1.00 C +ATOM 1509 CE2 TYR A 99 -15.815 16.648 -12.648 1.00 1.00 C +ATOM 1510 CZ TYR A 99 -15.807 17.684 -13.529 1.00 1.00 C +ATOM 1511 OH TYR A 99 -16.838 17.794 -14.409 1.00 1.00 O +ATOM 1512 H TYR A 99 -11.746 16.725 -13.305 1.00 1.00 H +ATOM 1513 HA TYR A 99 -10.446 16.641 -10.681 1.00 1.00 H +ATOM 1514 HB2 TYR A 99 -12.906 16.869 -9.825 1.00 1.00 H +ATOM 1515 HB3 TYR A 99 -12.194 18.333 -10.475 1.00 1.00 H +ATOM 1516 HD1 TYR A 99 -12.917 19.229 -12.650 1.00 1.00 H +ATOM 1517 HD2 TYR A 99 -14.705 15.711 -10.999 1.00 1.00 H +ATOM 1518 HE1 TYR A 99 -14.846 19.430 -14.294 1.00 1.00 H +ATOM 1519 HE2 TYR A 99 -16.628 15.924 -12.647 1.00 1.00 H +ATOM 1520 HH TYR A 99 -17.101 16.890 -14.743 1.00 1.00 H +ATOM 1521 N PRO A 100 -10.804 14.194 -10.799 1.00 1.00 N +ATOM 1522 CA PRO A 100 -11.033 12.760 -10.767 1.00 1.00 C +ATOM 1523 C PRO A 100 -12.015 12.387 -9.656 1.00 1.00 C +ATOM 1524 O PRO A 100 -11.620 12.223 -8.503 1.00 1.00 O +ATOM 1525 CB PRO A 100 -9.656 12.146 -10.575 1.00 1.00 C +ATOM 1526 CG PRO A 100 -8.773 13.262 -10.042 1.00 1.00 C +ATOM 1527 CD PRO A 100 -9.504 14.576 -10.253 1.00 1.00 C +ATOM 1528 HA PRO A 100 -11.458 12.457 -11.621 1.00 1.00 H +ATOM 1529 HB2 PRO A 100 -9.696 11.311 -9.874 1.00 1.00 H +ATOM 1530 HB3 PRO A 100 -9.267 11.753 -11.515 1.00 1.00 H +ATOM 1531 HG2 PRO A 100 -8.560 13.108 -8.985 1.00 1.00 H +ATOM 1532 HG3 PRO A 100 -7.815 13.270 -10.562 1.00 1.00 H +ATOM 1533 HD2 PRO A 100 -9.615 15.121 -9.315 1.00 1.00 H +ATOM 1534 HD3 PRO A 100 -8.962 15.227 -10.939 1.00 1.00 H +ATOM 1535 N ALA A 101 -13.277 12.263 -10.042 1.00 1.00 N +ATOM 1536 CA ALA A 101 -14.319 11.912 -9.091 1.00 1.00 C +ATOM 1537 C ALA A 101 -13.796 10.832 -8.142 1.00 1.00 C +ATOM 1538 O ALA A 101 -12.796 10.176 -8.432 1.00 1.00 O +ATOM 1539 CB ALA A 101 -15.571 11.465 -9.848 1.00 1.00 C +ATOM 1540 H ALA A 101 -13.590 12.397 -10.982 1.00 1.00 H +ATOM 1541 HA ALA A 101 -14.558 12.806 -8.515 1.00 1.00 H +ATOM 1542 HB1 ALA A 101 -15.721 12.111 -10.714 1.00 1.00 H +ATOM 1543 HB2 ALA A 101 -15.447 10.435 -10.181 1.00 1.00 H +ATOM 1544 HB3 ALA A 101 -16.437 11.533 -9.190 1.00 1.00 H +ATOM 1545 N PRO A 102 -14.511 10.677 -6.997 1.00 1.00 N +ATOM 1546 CA PRO A 102 -14.131 9.688 -6.003 1.00 1.00 C +ATOM 1547 C PRO A 102 -14.497 8.276 -6.465 1.00 1.00 C +ATOM 1548 O PRO A 102 -15.562 8.066 -7.044 1.00 1.00 O +ATOM 1549 CB PRO A 102 -14.856 10.105 -4.734 1.00 1.00 C +ATOM 1550 CG PRO A 102 -15.975 11.032 -5.179 1.00 1.00 C +ATOM 1551 CD PRO A 102 -15.700 11.435 -6.619 1.00 1.00 C +ATOM 1552 HA PRO A 102 -13.137 9.686 -5.879 1.00 1.00 H +ATOM 1553 HB2 PRO A 102 -15.253 9.236 -4.208 1.00 1.00 H +ATOM 1554 HB3 PRO A 102 -14.179 10.611 -4.045 1.00 1.00 H +ATOM 1555 HG2 PRO A 102 -16.940 10.532 -5.100 1.00 1.00 H +ATOM 1556 HG3 PRO A 102 -16.019 11.912 -4.539 1.00 1.00 H +ATOM 1557 HD2 PRO A 102 -16.546 11.196 -7.265 1.00 1.00 H +ATOM 1558 HD3 PRO A 102 -15.529 12.508 -6.704 1.00 1.00 H +ATOM 1559 N LYS A 103 -13.594 7.345 -6.193 1.00 1.00 N +ATOM 1560 CA LYS A 103 -13.809 5.960 -6.574 1.00 1.00 C +ATOM 1561 C LYS A 103 -14.141 5.138 -5.326 1.00 1.00 C +ATOM 1562 O LYS A 103 -13.756 5.504 -4.217 1.00 1.00 O +ATOM 1563 CB LYS A 103 -12.610 5.427 -7.360 1.00 1.00 C +ATOM 1564 CG LYS A 103 -11.367 5.342 -6.473 1.00 1.00 C +ATOM 1565 CD LYS A 103 -11.270 3.974 -5.795 1.00 1.00 C +ATOM 1566 CE LYS A 103 -11.348 2.845 -6.825 1.00 1.00 C +ATOM 1567 NZ LYS A 103 -10.602 1.658 -6.349 1.00 1.00 N +ATOM 1568 H LYS A 103 -12.730 7.525 -5.722 1.00 1.00 H +ATOM 1569 HA LYS A 103 -14.670 5.934 -7.242 1.00 1.00 H +ATOM 1570 HB2 LYS A 103 -12.842 4.441 -7.763 1.00 1.00 H +ATOM 1571 HB3 LYS A 103 -12.410 6.079 -8.211 1.00 1.00 H +ATOM 1572 HG2 LYS A 103 -10.474 5.517 -7.073 1.00 1.00 H +ATOM 1573 HG3 LYS A 103 -11.401 6.125 -5.715 1.00 1.00 H +ATOM 1574 HD2 LYS A 103 -10.334 3.903 -5.242 1.00 1.00 H +ATOM 1575 HD3 LYS A 103 -12.077 3.866 -5.068 1.00 1.00 H +ATOM 1576 HE2 LYS A 103 -12.390 2.579 -7.004 1.00 1.00 H +ATOM 1577 HE3 LYS A 103 -10.938 3.183 -7.775 1.00 1.00 H +ATOM 1578 HZ1 LYS A 103 -9.705 1.941 -6.012 1.00 1.00 H +ATOM 1579 HZ2 LYS A 103 -11.113 1.218 -5.610 1.00 1.00 H +ATOM 1580 HZ3 LYS A 103 -10.486 1.013 -7.104 1.00 1.00 H +ATOM 1581 N ARG A 104 -14.851 4.042 -5.550 1.00 1.00 N +ATOM 1582 CA ARG A 104 -15.237 3.166 -4.457 1.00 1.00 C +ATOM 1583 C ARG A 104 -14.256 1.995 -4.342 1.00 1.00 C +ATOM 1584 O ARG A 104 -13.911 1.370 -5.344 1.00 1.00 O +ATOM 1585 CB ARG A 104 -16.651 2.617 -4.665 1.00 1.00 C +ATOM 1586 CG ARG A 104 -16.923 1.435 -3.732 1.00 1.00 C +ATOM 1587 CD ARG A 104 -18.276 1.589 -3.033 1.00 1.00 C +ATOM 1588 NE ARG A 104 -18.158 2.547 -1.910 1.00 1.00 N +ATOM 1589 CZ ARG A 104 -18.980 2.568 -0.852 1.00 1.00 C +ATOM 1590 NH1 ARG A 104 -19.983 1.684 -0.766 1.00 1.00 N +ATOM 1591 NH2 ARG A 104 -18.798 3.472 0.121 1.00 1.00 N +ATOM 1592 H ARG A 104 -15.159 3.750 -6.455 1.00 1.00 H +ATOM 1593 HA ARG A 104 -15.202 3.795 -3.569 1.00 1.00 H +ATOM 1594 HB2 ARG A 104 -17.380 3.407 -4.481 1.00 1.00 H +ATOM 1595 HB3 ARG A 104 -16.775 2.304 -5.701 1.00 1.00 H +ATOM 1596 HG2 ARG A 104 -16.908 0.507 -4.304 1.00 1.00 H +ATOM 1597 HG3 ARG A 104 -16.130 1.365 -2.988 1.00 1.00 H +ATOM 1598 HD2 ARG A 104 -19.024 1.939 -3.743 1.00 1.00 H +ATOM 1599 HD3 ARG A 104 -18.614 0.621 -2.664 1.00 1.00 H +ATOM 1600 HE ARG A 104 -17.418 3.219 -1.943 1.00 1.00 H +ATOM 1601 HH11 ARG A 104 -20.120 1.009 -1.491 1.00 1.00 H +ATOM 1602 HH12 ARG A 104 -20.598 1.700 0.023 1.00 1.00 H +ATOM 1603 HH21 ARG A 104 -18.048 4.131 0.057 1.00 1.00 H +ATOM 1604 HH22 ARG A 104 -19.412 3.487 0.910 1.00 1.00 H +ATOM 1605 N GLY A 105 -13.836 1.736 -3.113 1.00 1.00 N +ATOM 1606 CA GLY A 105 -12.903 0.653 -2.855 1.00 1.00 C +ATOM 1607 C GLY A 105 -13.214 -0.560 -3.735 1.00 1.00 C +ATOM 1608 O GLY A 105 -14.355 -0.755 -4.150 1.00 1.00 O +ATOM 1609 H GLY A 105 -14.123 2.250 -2.304 1.00 1.00 H +ATOM 1610 HA2 GLY A 105 -11.885 0.993 -3.043 1.00 1.00 H +ATOM 1611 HA3 GLY A 105 -12.955 0.367 -1.804 1.00 1.00 H +ATOM 1612 N ILE A 106 -12.176 -1.343 -3.994 1.00 1.00 N +ATOM 1613 CA ILE A 106 -12.324 -2.531 -4.818 1.00 1.00 C +ATOM 1614 C ILE A 106 -12.668 -3.725 -3.925 1.00 1.00 C +ATOM 1615 O ILE A 106 -11.941 -4.029 -2.980 1.00 1.00 O +ATOM 1616 CB ILE A 106 -11.076 -2.745 -5.676 1.00 1.00 C +ATOM 1617 CG1 ILE A 106 -11.364 -3.706 -6.833 1.00 1.00 C +ATOM 1618 CG2 ILE A 106 -9.896 -3.213 -4.823 1.00 1.00 C +ATOM 1619 CD1 ILE A 106 -11.797 -5.077 -6.311 1.00 1.00 C +ATOM 1620 H ILE A 106 -11.252 -1.176 -3.653 1.00 1.00 H +ATOM 1621 HA ILE A 106 -13.157 -2.357 -5.497 1.00 1.00 H +ATOM 1622 HB ILE A 106 -10.795 -1.787 -6.116 1.00 1.00 H +ATOM 1623 HG12 ILE A 106 -12.146 -3.291 -7.467 1.00 1.00 H +ATOM 1624 HG13 ILE A 106 -10.474 -3.812 -7.452 1.00 1.00 H +ATOM 1625 HG21 ILE A 106 -10.156 -3.132 -3.767 1.00 1.00 H +ATOM 1626 HG22 ILE A 106 -9.664 -4.252 -5.061 1.00 1.00 H +ATOM 1627 HG23 ILE A 106 -9.026 -2.591 -5.033 1.00 1.00 H +ATOM 1628 HD11 ILE A 106 -11.353 -5.250 -5.331 1.00 1.00 H +ATOM 1629 HD12 ILE A 106 -12.883 -5.108 -6.229 1.00 1.00 H +ATOM 1630 HD13 ILE A 106 -11.462 -5.851 -7.002 1.00 1.00 H +ATOM 1631 N HIS A 107 -13.776 -4.371 -4.255 1.00 1.00 N +ATOM 1632 CA HIS A 107 -14.226 -5.524 -3.496 1.00 1.00 C +ATOM 1633 C HIS A 107 -13.631 -6.799 -4.098 1.00 1.00 C +ATOM 1634 O HIS A 107 -14.362 -7.662 -4.580 1.00 1.00 O +ATOM 1635 CB HIS A 107 -15.754 -5.563 -3.419 1.00 1.00 C +ATOM 1636 CG HIS A 107 -16.302 -5.398 -2.023 1.00 1.00 C +ATOM 1637 ND1 HIS A 107 -17.164 -6.313 -1.442 1.00 1.00 N +ATOM 1638 CD2 HIS A 107 -16.103 -4.417 -1.096 1.00 1.00 C +ATOM 1639 CE1 HIS A 107 -17.463 -5.890 -0.222 1.00 1.00 C +ATOM 1640 NE2 HIS A 107 -16.805 -4.715 -0.011 1.00 1.00 N +ATOM 1641 H HIS A 107 -14.362 -4.118 -5.026 1.00 1.00 H +ATOM 1642 HA HIS A 107 -13.845 -5.399 -2.482 1.00 1.00 H +ATOM 1643 HB2 HIS A 107 -16.160 -4.774 -4.054 1.00 1.00 H +ATOM 1644 HB3 HIS A 107 -16.104 -6.512 -3.827 1.00 1.00 H +ATOM 1645 HD1 HIS A 107 -17.503 -7.150 -1.870 1.00 1.00 H +ATOM 1646 HD2 HIS A 107 -15.472 -3.536 -1.226 1.00 1.00 H +ATOM 1647 HE1 HIS A 107 -18.121 -6.393 0.487 1.00 1.00 H +ATOM 1648 N ARG A 108 -12.308 -6.876 -4.051 1.00 1.00 N +ATOM 1649 CA ARG A 108 -11.606 -8.029 -4.587 1.00 1.00 C +ATOM 1650 C ARG A 108 -11.805 -8.117 -6.100 1.00 1.00 C +ATOM 1651 O ARG A 108 -10.858 -7.940 -6.866 1.00 1.00 O +ATOM 1652 CB ARG A 108 -12.100 -9.323 -3.938 1.00 1.00 C +ATOM 1653 CG ARG A 108 -11.298 -9.647 -2.675 1.00 1.00 C +ATOM 1654 CD ARG A 108 -11.613 -8.651 -1.557 1.00 1.00 C +ATOM 1655 NE ARG A 108 -12.866 -9.040 -0.872 1.00 1.00 N +ATOM 1656 CZ ARG A 108 -13.174 -8.691 0.385 1.00 1.00 C +ATOM 1657 NH1 ARG A 108 -12.322 -7.946 1.102 1.00 1.00 N +ATOM 1658 NH2 ARG A 108 -14.333 -9.090 0.926 1.00 1.00 N +ATOM 1659 H ARG A 108 -11.721 -6.168 -3.658 1.00 1.00 H +ATOM 1660 HA ARG A 108 -10.558 -7.859 -4.338 1.00 1.00 H +ATOM 1661 HB2 ARG A 108 -13.157 -9.229 -3.688 1.00 1.00 H +ATOM 1662 HB3 ARG A 108 -12.014 -10.146 -4.647 1.00 1.00 H +ATOM 1663 HG2 ARG A 108 -11.528 -10.658 -2.343 1.00 1.00 H +ATOM 1664 HG3 ARG A 108 -10.232 -9.620 -2.901 1.00 1.00 H +ATOM 1665 HD2 ARG A 108 -10.791 -8.623 -0.842 1.00 1.00 H +ATOM 1666 HD3 ARG A 108 -11.711 -7.647 -1.969 1.00 1.00 H +ATOM 1667 HE ARG A 108 -13.524 -9.596 -1.378 1.00 1.00 H +ATOM 1668 HH11 ARG A 108 -11.456 -7.649 0.699 1.00 1.00 H +ATOM 1669 HH12 ARG A 108 -12.551 -7.687 2.040 1.00 1.00 H +ATOM 1670 HH21 ARG A 108 -14.969 -9.646 0.391 1.00 1.00 H +ATOM 1671 HH22 ARG A 108 -14.564 -8.830 1.864 1.00 1.00 H +ATOM 1672 N ASP A 109 -13.042 -8.390 -6.487 1.00 1.00 N +ATOM 1673 CA ASP A 109 -13.378 -8.503 -7.897 1.00 1.00 C +ATOM 1674 C ASP A 109 -12.251 -9.237 -8.628 1.00 1.00 C +ATOM 1675 O ASP A 109 -11.454 -8.537 -9.289 1.00 1.00 O +ATOM 1676 CB ASP A 109 -13.537 -7.122 -8.538 1.00 1.00 C +ATOM 1677 CG ASP A 109 -14.958 -6.778 -8.987 1.00 1.00 C +ATOM 1678 OD1 ASP A 109 -15.765 -7.668 -9.294 1.00 1.00 O +ATOM 1679 OD2 ASP A 109 -15.231 -5.517 -9.013 1.00 1.00 O +ATOM 1680 OXT ASP A 109 -12.154 -10.461 -8.553 1.00 1.00 O +ATOM 1681 H ASP A 109 -13.806 -8.532 -5.859 1.00 1.00 H +ATOM 1682 HA ASP A 109 -14.319 -9.052 -7.925 1.00 1.00 H +ATOM 1683 HB2 ASP A 109 -13.203 -6.368 -7.827 1.00 1.00 H +ATOM 1684 HB3 ASP A 109 -12.875 -7.062 -9.402 1.00 1.00 H +TER 1685 ASP A 109 +ENDMDL +MODEL 17 +ATOM 1 N GLY A 1 3.134 -7.156 0.428 1.00 1.00 N +ATOM 2 CA GLY A 1 2.340 -5.965 0.675 1.00 1.00 C +ATOM 3 C GLY A 1 2.045 -5.222 -0.630 1.00 1.00 C +ATOM 4 O GLY A 1 0.885 -5.026 -0.989 1.00 1.00 O +ATOM 5 H1 GLY A 1 3.013 -7.451 -0.534 1.00 1.00 H +ATOM 6 H2 GLY A 1 4.113 -6.951 0.599 1.00 1.00 H +ATOM 7 H3 GLY A 1 2.832 -7.899 1.050 1.00 1.00 H +ATOM 8 HA2 GLY A 1 1.404 -6.241 1.160 1.00 1.00 H +ATOM 9 HA3 GLY A 1 2.870 -5.305 1.361 1.00 1.00 H +ATOM 10 N SER A 2 3.116 -4.830 -1.305 1.00 1.00 N +ATOM 11 CA SER A 2 2.987 -4.113 -2.562 1.00 1.00 C +ATOM 12 C SER A 2 2.019 -2.940 -2.399 1.00 1.00 C +ATOM 13 O SER A 2 0.861 -3.025 -2.805 1.00 1.00 O +ATOM 14 CB SER A 2 2.511 -5.043 -3.680 1.00 1.00 C +ATOM 15 OG SER A 2 1.163 -5.464 -3.486 1.00 1.00 O +ATOM 16 H SER A 2 4.055 -4.993 -1.006 1.00 1.00 H +ATOM 17 HA SER A 2 3.989 -3.753 -2.793 1.00 1.00 H +ATOM 18 HB2 SER A 2 2.596 -4.531 -4.639 1.00 1.00 H +ATOM 19 HB3 SER A 2 3.159 -5.918 -3.726 1.00 1.00 H +ATOM 20 HG SER A 2 0.693 -5.528 -4.367 1.00 1.00 H +ATOM 21 N GLY A 3 2.530 -1.872 -1.803 1.00 1.00 N +ATOM 22 CA GLY A 3 1.724 -0.682 -1.581 1.00 1.00 C +ATOM 23 C GLY A 3 0.302 -1.055 -1.157 1.00 1.00 C +ATOM 24 O GLY A 3 -0.645 -0.874 -1.922 1.00 1.00 O +ATOM 25 H GLY A 3 3.471 -1.811 -1.475 1.00 1.00 H +ATOM 26 HA2 GLY A 3 2.187 -0.064 -0.812 1.00 1.00 H +ATOM 27 HA3 GLY A 3 1.691 -0.086 -2.493 1.00 1.00 H +ATOM 28 N ASN A 4 0.196 -1.568 0.059 1.00 1.00 N +ATOM 29 CA ASN A 4 -1.094 -1.968 0.594 1.00 1.00 C +ATOM 30 C ASN A 4 -2.072 -0.795 0.483 1.00 1.00 C +ATOM 31 O ASN A 4 -2.041 0.123 1.300 1.00 1.00 O +ATOM 32 CB ASN A 4 -0.985 -2.352 2.071 1.00 1.00 C +ATOM 33 CG ASN A 4 -0.497 -3.793 2.227 1.00 1.00 C +ATOM 34 OD1 ASN A 4 0.685 -4.067 2.356 1.00 1.00 O +ATOM 35 ND2 ASN A 4 -1.471 -4.699 2.207 1.00 1.00 N +ATOM 36 H ASN A 4 0.970 -1.712 0.675 1.00 1.00 H +ATOM 37 HA ASN A 4 -1.401 -2.824 -0.006 1.00 1.00 H +ATOM 38 HB2 ASN A 4 -0.296 -1.675 2.576 1.00 1.00 H +ATOM 39 HB3 ASN A 4 -1.955 -2.238 2.554 1.00 1.00 H +ATOM 40 HD21 ASN A 4 -2.423 -4.408 2.098 1.00 1.00 H +ATOM 41 HD22 ASN A 4 -1.253 -5.671 2.302 1.00 1.00 H +ATOM 42 N SER A 5 -2.919 -0.867 -0.535 1.00 1.00 N +ATOM 43 CA SER A 5 -3.903 0.177 -0.764 1.00 1.00 C +ATOM 44 C SER A 5 -3.288 1.549 -0.481 1.00 1.00 C +ATOM 45 O SER A 5 -3.459 2.097 0.605 1.00 1.00 O +ATOM 46 CB SER A 5 -5.144 -0.038 0.105 1.00 1.00 C +ATOM 47 OG SER A 5 -5.765 -1.294 -0.151 1.00 1.00 O +ATOM 48 H SER A 5 -2.937 -1.618 -1.195 1.00 1.00 H +ATOM 49 HA SER A 5 -4.177 0.089 -1.816 1.00 1.00 H +ATOM 50 HB2 SER A 5 -4.864 0.023 1.157 1.00 1.00 H +ATOM 51 HB3 SER A 5 -5.859 0.764 -0.080 1.00 1.00 H +ATOM 52 HG SER A 5 -6.572 -1.401 0.429 1.00 1.00 H +ATOM 53 N LEU A 6 -2.584 2.063 -1.480 1.00 1.00 N +ATOM 54 CA LEU A 6 -1.941 3.359 -1.353 1.00 1.00 C +ATOM 55 C LEU A 6 -2.896 4.447 -1.848 1.00 1.00 C +ATOM 56 O LEU A 6 -2.882 4.802 -3.026 1.00 1.00 O +ATOM 57 CB LEU A 6 -0.587 3.359 -2.065 1.00 1.00 C +ATOM 58 CG LEU A 6 0.638 3.582 -1.175 1.00 1.00 C +ATOM 59 CD1 LEU A 6 0.608 4.973 -0.538 1.00 1.00 C +ATOM 60 CD2 LEU A 6 0.764 2.475 -0.127 1.00 1.00 C +ATOM 61 H LEU A 6 -2.449 1.609 -2.361 1.00 1.00 H +ATOM 62 HA LEU A 6 -1.749 3.526 -0.292 1.00 1.00 H +ATOM 63 HB2 LEU A 6 -0.469 2.406 -2.578 1.00 1.00 H +ATOM 64 HB3 LEU A 6 -0.601 4.134 -2.830 1.00 1.00 H +ATOM 65 HG LEU A 6 1.529 3.534 -1.802 1.00 1.00 H +ATOM 66 HD11 LEU A 6 -0.270 5.515 -0.892 1.00 1.00 H +ATOM 67 HD12 LEU A 6 0.562 4.875 0.546 1.00 1.00 H +ATOM 68 HD13 LEU A 6 1.510 5.520 -0.816 1.00 1.00 H +ATOM 69 HD21 LEU A 6 -0.175 1.924 -0.067 1.00 1.00 H +ATOM 70 HD22 LEU A 6 1.566 1.794 -0.412 1.00 1.00 H +ATOM 71 HD23 LEU A 6 0.990 2.916 0.843 1.00 1.00 H +ATOM 72 N GLU A 7 -3.704 4.947 -0.924 1.00 1.00 N +ATOM 73 CA GLU A 7 -4.663 5.987 -1.253 1.00 1.00 C +ATOM 74 C GLU A 7 -3.958 7.338 -1.386 1.00 1.00 C +ATOM 75 O GLU A 7 -4.253 8.273 -0.645 1.00 1.00 O +ATOM 76 CB GLU A 7 -5.779 6.054 -0.209 1.00 1.00 C +ATOM 77 CG GLU A 7 -7.138 5.736 -0.836 1.00 1.00 C +ATOM 78 CD GLU A 7 -8.026 6.981 -0.880 1.00 1.00 C +ATOM 79 OE1 GLU A 7 -8.235 7.542 0.262 1.00 1.00 O +ATOM 80 OE2 GLU A 7 -8.485 7.378 -1.962 1.00 1.00 O +ATOM 81 H GLU A 7 -3.710 4.653 0.032 1.00 1.00 H +ATOM 82 HA GLU A 7 -5.089 5.696 -2.212 1.00 1.00 H +ATOM 83 HB2 GLU A 7 -5.573 5.347 0.596 1.00 1.00 H +ATOM 84 HB3 GLU A 7 -5.805 7.046 0.240 1.00 1.00 H +ATOM 85 HG2 GLU A 7 -6.994 5.352 -1.846 1.00 1.00 H +ATOM 86 HG3 GLU A 7 -7.633 4.952 -0.264 1.00 1.00 H +ATOM 87 N LYS A 8 -3.038 7.397 -2.338 1.00 1.00 N +ATOM 88 CA LYS A 8 -2.287 8.617 -2.579 1.00 1.00 C +ATOM 89 C LYS A 8 -3.262 9.773 -2.814 1.00 1.00 C +ATOM 90 O LYS A 8 -3.849 10.298 -1.868 1.00 1.00 O +ATOM 91 CB LYS A 8 -1.287 8.415 -3.719 1.00 1.00 C +ATOM 92 CG LYS A 8 -0.021 9.244 -3.491 1.00 1.00 C +ATOM 93 CD LYS A 8 -0.037 10.516 -4.341 1.00 1.00 C +ATOM 94 CE LYS A 8 1.360 11.135 -4.427 1.00 1.00 C +ATOM 95 NZ LYS A 8 1.329 12.545 -3.979 1.00 1.00 N +ATOM 96 H LYS A 8 -2.803 6.632 -2.938 1.00 1.00 H +ATOM 97 HA LYS A 8 -1.711 8.830 -1.679 1.00 1.00 H +ATOM 98 HB2 LYS A 8 -1.027 7.360 -3.797 1.00 1.00 H +ATOM 99 HB3 LYS A 8 -1.746 8.700 -4.665 1.00 1.00 H +ATOM 100 HG2 LYS A 8 0.061 9.508 -2.436 1.00 1.00 H +ATOM 101 HG3 LYS A 8 0.857 8.647 -3.738 1.00 1.00 H +ATOM 102 HD2 LYS A 8 -0.397 10.283 -5.344 1.00 1.00 H +ATOM 103 HD3 LYS A 8 -0.732 11.236 -3.912 1.00 1.00 H +ATOM 104 HE2 LYS A 8 2.055 10.567 -3.810 1.00 1.00 H +ATOM 105 HE3 LYS A 8 1.726 11.081 -5.453 1.00 1.00 H +ATOM 106 HZ1 LYS A 8 0.430 12.799 -3.586 1.00 1.00 H +ATOM 107 HZ2 LYS A 8 2.035 12.690 -3.272 1.00 1.00 H +ATOM 108 HZ3 LYS A 8 1.513 13.153 -4.767 1.00 1.00 H +ATOM 109 N HIS A 9 -3.407 10.136 -4.081 1.00 1.00 N +ATOM 110 CA HIS A 9 -4.300 11.219 -4.452 1.00 1.00 C +ATOM 111 C HIS A 9 -5.725 10.681 -4.601 1.00 1.00 C +ATOM 112 O HIS A 9 -5.980 9.508 -4.333 1.00 1.00 O +ATOM 113 CB HIS A 9 -3.800 11.928 -5.712 1.00 1.00 C +ATOM 114 CG HIS A 9 -2.773 13.003 -5.445 1.00 1.00 C +ATOM 115 ND1 HIS A 9 -2.075 13.092 -4.254 1.00 1.00 N +ATOM 116 CD2 HIS A 9 -2.334 14.030 -6.228 1.00 1.00 C +ATOM 117 CE1 HIS A 9 -1.255 14.131 -4.327 1.00 1.00 C +ATOM 118 NE2 HIS A 9 -1.417 14.711 -5.550 1.00 1.00 N +ATOM 119 H HIS A 9 -2.926 9.704 -4.843 1.00 1.00 H +ATOM 120 HA HIS A 9 -4.276 11.938 -3.634 1.00 1.00 H +ATOM 121 HB2 HIS A 9 -3.370 11.188 -6.386 1.00 1.00 H +ATOM 122 HB3 HIS A 9 -4.650 12.373 -6.228 1.00 1.00 H +ATOM 123 HD1 HIS A 9 -2.173 12.479 -3.471 1.00 1.00 H +ATOM 124 HD2 HIS A 9 -2.676 14.253 -7.238 1.00 1.00 H +ATOM 125 HE1 HIS A 9 -0.572 14.464 -3.546 1.00 1.00 H +ATOM 126 N SER A 10 -6.616 11.563 -5.028 1.00 1.00 N +ATOM 127 CA SER A 10 -8.008 11.191 -5.216 1.00 1.00 C +ATOM 128 C SER A 10 -8.179 10.464 -6.549 1.00 1.00 C +ATOM 129 O SER A 10 -9.298 10.139 -6.944 1.00 1.00 O +ATOM 130 CB SER A 10 -8.917 12.421 -5.160 1.00 1.00 C +ATOM 131 OG SER A 10 -8.701 13.192 -3.982 1.00 1.00 O +ATOM 132 H SER A 10 -6.400 12.516 -5.243 1.00 1.00 H +ATOM 133 HA SER A 10 -8.244 10.527 -4.384 1.00 1.00 H +ATOM 134 HB2 SER A 10 -8.742 13.043 -6.038 1.00 1.00 H +ATOM 135 HB3 SER A 10 -9.959 12.102 -5.198 1.00 1.00 H +ATOM 136 HG SER A 10 -7.742 13.137 -3.707 1.00 1.00 H +ATOM 137 N TRP A 11 -7.054 10.229 -7.209 1.00 1.00 N +ATOM 138 CA TRP A 11 -7.066 9.545 -8.490 1.00 1.00 C +ATOM 139 C TRP A 11 -6.213 8.283 -8.361 1.00 1.00 C +ATOM 140 O TRP A 11 -5.883 7.647 -9.361 1.00 1.00 O +ATOM 141 CB TRP A 11 -6.595 10.473 -9.611 1.00 1.00 C +ATOM 142 CG TRP A 11 -5.438 11.393 -9.213 1.00 1.00 C +ATOM 143 CD1 TRP A 11 -5.468 12.717 -9.015 1.00 1.00 C +ATOM 144 CD2 TRP A 11 -4.071 10.998 -8.969 1.00 1.00 C +ATOM 145 NE1 TRP A 11 -4.225 13.205 -8.663 1.00 1.00 N +ATOM 146 CE2 TRP A 11 -3.349 12.126 -8.634 1.00 1.00 C +ATOM 147 CE3 TRP A 11 -3.465 9.732 -9.029 1.00 1.00 C +ATOM 148 CZ2 TRP A 11 -1.982 12.100 -8.335 1.00 1.00 C +ATOM 149 CZ3 TRP A 11 -2.097 9.723 -8.727 1.00 1.00 C +ATOM 150 CH2 TRP A 11 -1.356 10.848 -8.388 1.00 1.00 C +ATOM 151 H TRP A 11 -6.148 10.497 -6.881 1.00 1.00 H +ATOM 152 HA TRP A 11 -8.099 9.276 -8.715 1.00 1.00 H +ATOM 153 HB2 TRP A 11 -6.286 9.868 -10.464 1.00 1.00 H +ATOM 154 HB3 TRP A 11 -7.434 11.084 -9.941 1.00 1.00 H +ATOM 155 HD1 TRP A 11 -6.362 13.333 -9.118 1.00 1.00 H +ATOM 156 HE1 TRP A 11 -3.976 14.243 -8.447 1.00 1.00 H +ATOM 157 HE3 TRP A 11 -4.013 8.826 -9.291 1.00 1.00 H +ATOM 158 HZ2 TRP A 11 -1.434 13.006 -8.073 1.00 1.00 H +ATOM 159 HZ3 TRP A 11 -1.578 8.764 -8.760 1.00 1.00 H +ATOM 160 HH2 TRP A 11 -0.293 10.757 -8.166 1.00 1.00 H +ATOM 161 N TYR A 12 -5.880 7.956 -7.121 1.00 1.00 N +ATOM 162 CA TYR A 12 -5.071 6.780 -6.848 1.00 1.00 C +ATOM 163 C TYR A 12 -5.837 5.778 -5.983 1.00 1.00 C +ATOM 164 O TYR A 12 -6.078 6.024 -4.802 1.00 1.00 O +ATOM 165 CB TYR A 12 -3.851 7.278 -6.070 1.00 1.00 C +ATOM 166 CG TYR A 12 -2.524 6.689 -6.547 1.00 1.00 C +ATOM 167 CD1 TYR A 12 -2.165 6.785 -7.877 1.00 1.00 C +ATOM 168 CD2 TYR A 12 -1.685 6.059 -5.651 1.00 1.00 C +ATOM 169 CE1 TYR A 12 -0.916 6.231 -8.329 1.00 1.00 C +ATOM 170 CE2 TYR A 12 -0.435 5.504 -6.102 1.00 1.00 C +ATOM 171 CZ TYR A 12 -0.112 5.617 -7.417 1.00 1.00 C +ATOM 172 OH TYR A 12 1.068 5.093 -7.844 1.00 1.00 O +ATOM 173 H TYR A 12 -6.152 8.479 -6.313 1.00 1.00 H +ATOM 174 HA TYR A 12 -4.824 6.313 -7.801 1.00 1.00 H +ATOM 175 HB2 TYR A 12 -3.804 8.365 -6.145 1.00 1.00 H +ATOM 176 HB3 TYR A 12 -3.985 7.039 -5.014 1.00 1.00 H +ATOM 177 HD1 TYR A 12 -2.828 7.283 -8.586 1.00 1.00 H +ATOM 178 HD2 TYR A 12 -1.968 5.983 -4.601 1.00 1.00 H +ATOM 179 HE1 TYR A 12 -0.620 6.300 -9.374 1.00 1.00 H +ATOM 180 HE2 TYR A 12 0.237 5.005 -5.404 1.00 1.00 H +ATOM 181 HH TYR A 12 1.814 5.414 -7.263 1.00 1.00 H +ATOM 182 N HIS A 13 -6.200 4.664 -6.606 1.00 1.00 N +ATOM 183 CA HIS A 13 -6.933 3.622 -5.909 1.00 1.00 C +ATOM 184 C HIS A 13 -6.102 2.338 -5.882 1.00 1.00 C +ATOM 185 O HIS A 13 -5.447 2.040 -4.883 1.00 1.00 O +ATOM 186 CB HIS A 13 -8.315 3.419 -6.533 1.00 1.00 C +ATOM 187 CG HIS A 13 -8.726 4.517 -7.487 1.00 1.00 C +ATOM 188 ND1 HIS A 13 -9.923 5.201 -7.373 1.00 1.00 N +ATOM 189 CD2 HIS A 13 -8.084 5.041 -8.572 1.00 1.00 C +ATOM 190 CE1 HIS A 13 -9.990 6.094 -8.349 1.00 1.00 C +ATOM 191 NE2 HIS A 13 -8.848 5.993 -9.091 1.00 1.00 N +ATOM 192 H HIS A 13 -6.000 4.472 -7.566 1.00 1.00 H +ATOM 193 HA HIS A 13 -7.079 3.972 -4.887 1.00 1.00 H +ATOM 194 HB2 HIS A 13 -8.326 2.468 -7.065 1.00 1.00 H +ATOM 195 HB3 HIS A 13 -9.056 3.349 -5.738 1.00 1.00 H +ATOM 196 HD1 HIS A 13 -10.619 5.047 -6.672 1.00 1.00 H +ATOM 197 HD2 HIS A 13 -7.109 4.731 -8.946 1.00 1.00 H +ATOM 198 HE1 HIS A 13 -10.810 6.788 -8.529 1.00 1.00 H +ATOM 199 N GLY A 14 -6.153 1.615 -6.990 1.00 1.00 N +ATOM 200 CA GLY A 14 -5.412 0.369 -7.105 1.00 1.00 C +ATOM 201 C GLY A 14 -5.418 -0.139 -8.548 1.00 1.00 C +ATOM 202 O GLY A 14 -5.573 0.642 -9.485 1.00 1.00 O +ATOM 203 H GLY A 14 -6.688 1.863 -7.797 1.00 1.00 H +ATOM 204 HA2 GLY A 14 -4.385 0.522 -6.774 1.00 1.00 H +ATOM 205 HA3 GLY A 14 -5.852 -0.381 -6.449 1.00 1.00 H +ATOM 206 N PRO A 15 -5.243 -1.481 -8.685 1.00 1.00 N +ATOM 207 CA PRO A 15 -5.225 -2.104 -9.998 1.00 1.00 C +ATOM 208 C PRO A 15 -6.637 -2.195 -10.579 1.00 1.00 C +ATOM 209 O PRO A 15 -7.499 -2.873 -10.023 1.00 1.00 O +ATOM 210 CB PRO A 15 -4.585 -3.465 -9.779 1.00 1.00 C +ATOM 211 CG PRO A 15 -4.690 -3.741 -8.288 1.00 1.00 C +ATOM 212 CD PRO A 15 -5.056 -2.437 -7.597 1.00 1.00 C +ATOM 213 HA PRO A 15 -4.701 -1.546 -10.640 1.00 1.00 H +ATOM 214 HB2 PRO A 15 -5.096 -4.235 -10.356 1.00 1.00 H +ATOM 215 HB3 PRO A 15 -3.544 -3.463 -10.102 1.00 1.00 H +ATOM 216 HG2 PRO A 15 -5.448 -4.501 -8.093 1.00 1.00 H +ATOM 217 HG3 PRO A 15 -3.747 -4.126 -7.903 1.00 1.00 H +ATOM 218 HD2 PRO A 15 -5.965 -2.544 -7.004 1.00 1.00 H +ATOM 219 HD3 PRO A 15 -4.266 -2.114 -6.917 1.00 1.00 H +ATOM 220 N VAL A 16 -6.831 -1.501 -11.692 1.00 1.00 N +ATOM 221 CA VAL A 16 -8.123 -1.494 -12.355 1.00 1.00 C +ATOM 222 C VAL A 16 -7.916 -1.624 -13.865 1.00 1.00 C +ATOM 223 O VAL A 16 -7.223 -0.810 -14.473 1.00 1.00 O +ATOM 224 CB VAL A 16 -8.906 -0.239 -11.964 1.00 1.00 C +ATOM 225 CG1 VAL A 16 -9.447 -0.354 -10.537 1.00 1.00 C +ATOM 226 CG2 VAL A 16 -8.045 1.015 -12.124 1.00 1.00 C +ATOM 227 H VAL A 16 -6.123 -0.951 -12.138 1.00 1.00 H +ATOM 228 HA VAL A 16 -8.679 -2.362 -12.001 1.00 1.00 H +ATOM 229 HB VAL A 16 -9.756 -0.151 -12.639 1.00 1.00 H +ATOM 230 HG11 VAL A 16 -9.841 -1.358 -10.378 1.00 1.00 H +ATOM 231 HG12 VAL A 16 -8.644 -0.161 -9.827 1.00 1.00 H +ATOM 232 HG13 VAL A 16 -10.245 0.376 -10.391 1.00 1.00 H +ATOM 233 HG21 VAL A 16 -7.039 0.729 -12.425 1.00 1.00 H +ATOM 234 HG22 VAL A 16 -8.482 1.660 -12.886 1.00 1.00 H +ATOM 235 HG23 VAL A 16 -8.003 1.551 -11.176 1.00 1.00 H +ATOM 236 N SER A 17 -8.532 -2.653 -14.429 1.00 1.00 N +ATOM 237 CA SER A 17 -8.425 -2.900 -15.857 1.00 1.00 C +ATOM 238 C SER A 17 -9.111 -1.774 -16.634 1.00 1.00 C +ATOM 239 O SER A 17 -9.939 -1.050 -16.085 1.00 1.00 O +ATOM 240 CB SER A 17 -9.034 -4.252 -16.230 1.00 1.00 C +ATOM 241 OG SER A 17 -8.048 -5.274 -16.324 1.00 1.00 O +ATOM 242 H SER A 17 -9.095 -3.310 -13.928 1.00 1.00 H +ATOM 243 HA SER A 17 -7.356 -2.913 -16.068 1.00 1.00 H +ATOM 244 HB2 SER A 17 -9.779 -4.533 -15.483 1.00 1.00 H +ATOM 245 HB3 SER A 17 -9.558 -4.163 -17.181 1.00 1.00 H +ATOM 246 HG SER A 17 -8.338 -6.080 -15.805 1.00 1.00 H +ATOM 247 N ARG A 18 -8.741 -1.665 -17.903 1.00 1.00 N +ATOM 248 CA ARG A 18 -9.312 -0.641 -18.762 1.00 1.00 C +ATOM 249 C ARG A 18 -10.832 -0.797 -18.836 1.00 1.00 C +ATOM 250 O ARG A 18 -11.568 0.181 -18.700 1.00 1.00 O +ATOM 251 CB ARG A 18 -8.728 -0.720 -20.173 1.00 1.00 C +ATOM 252 CG ARG A 18 -7.327 -0.106 -20.222 1.00 1.00 C +ATOM 253 CD ARG A 18 -6.695 -0.295 -21.603 1.00 1.00 C +ATOM 254 NE ARG A 18 -6.562 -1.737 -21.906 1.00 1.00 N +ATOM 255 CZ ARG A 18 -5.510 -2.486 -21.551 1.00 1.00 C +ATOM 256 NH1 ARG A 18 -4.492 -1.935 -20.876 1.00 1.00 N +ATOM 257 NH2 ARG A 18 -5.475 -3.787 -21.869 1.00 1.00 N +ATOM 258 H ARG A 18 -8.068 -2.259 -18.342 1.00 1.00 H +ATOM 259 HA ARG A 18 -9.037 0.303 -18.291 1.00 1.00 H +ATOM 260 HB2 ARG A 18 -8.685 -1.759 -20.496 1.00 1.00 H +ATOM 261 HB3 ARG A 18 -9.382 -0.196 -20.871 1.00 1.00 H +ATOM 262 HG2 ARG A 18 -7.384 0.957 -19.986 1.00 1.00 H +ATOM 263 HG3 ARG A 18 -6.698 -0.569 -19.463 1.00 1.00 H +ATOM 264 HD2 ARG A 18 -7.306 0.191 -22.362 1.00 1.00 H +ATOM 265 HD3 ARG A 18 -5.715 0.182 -21.630 1.00 1.00 H +ATOM 266 HE ARG A 18 -7.304 -2.180 -22.408 1.00 1.00 H +ATOM 267 HH11 ARG A 18 -4.517 -0.963 -20.638 1.00 1.00 H +ATOM 268 HH12 ARG A 18 -3.706 -2.494 -20.609 1.00 1.00 H +ATOM 269 HH21 ARG A 18 -6.235 -4.199 -22.372 1.00 1.00 H +ATOM 270 HH22 ARG A 18 -4.690 -4.347 -21.602 1.00 1.00 H +ATOM 271 N ASN A 19 -11.259 -2.032 -19.054 1.00 1.00 N +ATOM 272 CA ASN A 19 -12.678 -2.329 -19.148 1.00 1.00 C +ATOM 273 C ASN A 19 -13.389 -1.801 -17.900 1.00 1.00 C +ATOM 274 O ASN A 19 -14.319 -1.003 -18.003 1.00 1.00 O +ATOM 275 CB ASN A 19 -12.922 -3.835 -19.232 1.00 1.00 C +ATOM 276 CG ASN A 19 -11.911 -4.602 -18.376 1.00 1.00 C +ATOM 277 OD1 ASN A 19 -12.107 -4.834 -17.195 1.00 1.00 O +ATOM 278 ND2 ASN A 19 -10.821 -4.982 -19.038 1.00 1.00 N +ATOM 279 H ASN A 19 -10.654 -2.821 -19.165 1.00 1.00 H +ATOM 280 HA ASN A 19 -13.014 -1.833 -20.060 1.00 1.00 H +ATOM 281 HB2 ASN A 19 -13.934 -4.063 -18.895 1.00 1.00 H +ATOM 282 HB3 ASN A 19 -12.849 -4.164 -20.268 1.00 1.00 H +ATOM 283 HD21 ASN A 19 -10.721 -4.760 -20.008 1.00 1.00 H +ATOM 284 HD22 ASN A 19 -10.100 -5.489 -18.565 1.00 1.00 H +ATOM 285 N ALA A 20 -12.924 -2.269 -16.753 1.00 1.00 N +ATOM 286 CA ALA A 20 -13.504 -1.854 -15.485 1.00 1.00 C +ATOM 287 C ALA A 20 -13.315 -0.346 -15.312 1.00 1.00 C +ATOM 288 O ALA A 20 -14.224 0.349 -14.861 1.00 1.00 O +ATOM 289 CB ALA A 20 -12.868 -2.655 -14.347 1.00 1.00 C +ATOM 290 H ALA A 20 -12.166 -2.918 -16.678 1.00 1.00 H +ATOM 291 HA ALA A 20 -14.570 -2.078 -15.520 1.00 1.00 H +ATOM 292 HB1 ALA A 20 -12.762 -3.698 -14.650 1.00 1.00 H +ATOM 293 HB2 ALA A 20 -11.886 -2.243 -14.117 1.00 1.00 H +ATOM 294 HB3 ALA A 20 -13.504 -2.598 -13.464 1.00 1.00 H +ATOM 295 N ALA A 21 -12.128 0.116 -15.680 1.00 1.00 N +ATOM 296 CA ALA A 21 -11.810 1.529 -15.571 1.00 1.00 C +ATOM 297 C ALA A 21 -12.986 2.356 -16.095 1.00 1.00 C +ATOM 298 O ALA A 21 -13.414 3.312 -15.453 1.00 1.00 O +ATOM 299 CB ALA A 21 -10.511 1.819 -16.326 1.00 1.00 C +ATOM 300 H ALA A 21 -11.394 -0.456 -16.046 1.00 1.00 H +ATOM 301 HA ALA A 21 -11.660 1.755 -14.515 1.00 1.00 H +ATOM 302 HB1 ALA A 21 -10.410 1.122 -17.157 1.00 1.00 H +ATOM 303 HB2 ALA A 21 -10.534 2.840 -16.708 1.00 1.00 H +ATOM 304 HB3 ALA A 21 -9.664 1.703 -15.649 1.00 1.00 H +ATOM 305 N GLU A 22 -13.476 1.955 -17.260 1.00 1.00 N +ATOM 306 CA GLU A 22 -14.595 2.645 -17.878 1.00 1.00 C +ATOM 307 C GLU A 22 -15.865 2.448 -17.049 1.00 1.00 C +ATOM 308 O GLU A 22 -16.704 3.344 -16.969 1.00 1.00 O +ATOM 309 CB GLU A 22 -14.801 2.175 -19.319 1.00 1.00 C +ATOM 310 CG GLU A 22 -13.578 1.410 -19.827 1.00 1.00 C +ATOM 311 CD GLU A 22 -13.582 1.319 -21.354 1.00 1.00 C +ATOM 312 OE1 GLU A 22 -14.685 1.114 -21.906 1.00 1.00 O +ATOM 313 OE2 GLU A 22 -12.484 1.456 -21.936 1.00 1.00 O +ATOM 314 H GLU A 22 -13.124 1.175 -17.776 1.00 1.00 H +ATOM 315 HA GLU A 22 -14.317 3.699 -17.884 1.00 1.00 H +ATOM 316 HB2 GLU A 22 -15.683 1.534 -19.374 1.00 1.00 H +ATOM 317 HB3 GLU A 22 -14.991 3.033 -19.964 1.00 1.00 H +ATOM 318 HG2 GLU A 22 -12.668 1.909 -19.492 1.00 1.00 H +ATOM 319 HG3 GLU A 22 -13.567 0.408 -19.399 1.00 1.00 H +ATOM 320 N TYR A 23 -15.967 1.268 -16.453 1.00 1.00 N +ATOM 321 CA TYR A 23 -17.121 0.942 -15.633 1.00 1.00 C +ATOM 322 C TYR A 23 -17.050 1.651 -14.279 1.00 1.00 C +ATOM 323 O TYR A 23 -17.880 2.505 -13.976 1.00 1.00 O +ATOM 324 CB TYR A 23 -17.064 -0.571 -15.408 1.00 1.00 C +ATOM 325 CG TYR A 23 -18.150 -1.101 -14.470 1.00 1.00 C +ATOM 326 CD1 TYR A 23 -19.480 -0.870 -14.753 1.00 1.00 C +ATOM 327 CD2 TYR A 23 -17.797 -1.812 -13.340 1.00 1.00 C +ATOM 328 CE1 TYR A 23 -20.502 -1.370 -13.869 1.00 1.00 C +ATOM 329 CE2 TYR A 23 -18.819 -2.312 -12.457 1.00 1.00 C +ATOM 330 CZ TYR A 23 -20.120 -2.066 -12.764 1.00 1.00 C +ATOM 331 OH TYR A 23 -21.085 -2.537 -11.930 1.00 1.00 O +ATOM 332 H TYR A 23 -15.279 0.546 -16.524 1.00 1.00 H +ATOM 333 HA TYR A 23 -18.014 1.275 -16.161 1.00 1.00 H +ATOM 334 HB2 TYR A 23 -17.152 -1.073 -16.371 1.00 1.00 H +ATOM 335 HB3 TYR A 23 -16.087 -0.831 -15.001 1.00 1.00 H +ATOM 336 HD1 TYR A 23 -19.758 -0.309 -15.644 1.00 1.00 H +ATOM 337 HD2 TYR A 23 -16.746 -1.995 -13.117 1.00 1.00 H +ATOM 338 HE1 TYR A 23 -21.556 -1.194 -14.081 1.00 1.00 H +ATOM 339 HE2 TYR A 23 -18.555 -2.874 -11.561 1.00 1.00 H +ATOM 340 HH TYR A 23 -21.888 -1.944 -11.966 1.00 1.00 H +ATOM 341 N LEU A 24 -16.048 1.267 -13.499 1.00 1.00 N +ATOM 342 CA LEU A 24 -15.857 1.855 -12.184 1.00 1.00 C +ATOM 343 C LEU A 24 -16.054 3.369 -12.273 1.00 1.00 C +ATOM 344 O LEU A 24 -16.496 3.999 -11.314 1.00 1.00 O +ATOM 345 CB LEU A 24 -14.501 1.445 -11.606 1.00 1.00 C +ATOM 346 CG LEU A 24 -14.522 0.884 -10.182 1.00 1.00 C +ATOM 347 CD1 LEU A 24 -14.955 1.954 -9.178 1.00 1.00 C +ATOM 348 CD2 LEU A 24 -15.396 -0.369 -10.098 1.00 1.00 C +ATOM 349 H LEU A 24 -15.377 0.571 -13.753 1.00 1.00 H +ATOM 350 HA LEU A 24 -16.624 1.445 -11.528 1.00 1.00 H +ATOM 351 HB2 LEU A 24 -14.059 0.696 -12.263 1.00 1.00 H +ATOM 352 HB3 LEU A 24 -13.842 2.313 -11.624 1.00 1.00 H +ATOM 353 HG LEU A 24 -13.506 0.587 -9.918 1.00 1.00 H +ATOM 354 HD11 LEU A 24 -15.628 2.658 -9.665 1.00 1.00 H +ATOM 355 HD12 LEU A 24 -15.467 1.480 -8.341 1.00 1.00 H +ATOM 356 HD13 LEU A 24 -14.076 2.485 -8.812 1.00 1.00 H +ATOM 357 HD21 LEU A 24 -15.851 -0.559 -11.070 1.00 1.00 H +ATOM 358 HD22 LEU A 24 -14.781 -1.221 -9.811 1.00 1.00 H +ATOM 359 HD23 LEU A 24 -16.177 -0.216 -9.354 1.00 1.00 H +ATOM 360 N LEU A 25 -15.718 3.911 -13.435 1.00 1.00 N +ATOM 361 CA LEU A 25 -15.853 5.340 -13.662 1.00 1.00 C +ATOM 362 C LEU A 25 -17.286 5.770 -13.341 1.00 1.00 C +ATOM 363 O LEU A 25 -18.196 4.941 -13.313 1.00 1.00 O +ATOM 364 CB LEU A 25 -15.407 5.702 -15.080 1.00 1.00 C +ATOM 365 CG LEU A 25 -15.192 7.191 -15.355 1.00 1.00 C +ATOM 366 CD1 LEU A 25 -14.541 7.882 -14.156 1.00 1.00 C +ATOM 367 CD2 LEU A 25 -14.389 7.400 -16.642 1.00 1.00 C +ATOM 368 H LEU A 25 -15.361 3.391 -14.211 1.00 1.00 H +ATOM 369 HA LEU A 25 -15.178 5.845 -12.972 1.00 1.00 H +ATOM 370 HB2 LEU A 25 -14.475 5.174 -15.292 1.00 1.00 H +ATOM 371 HB3 LEU A 25 -16.151 5.326 -15.781 1.00 1.00 H +ATOM 372 HG LEU A 25 -16.166 7.655 -15.505 1.00 1.00 H +ATOM 373 HD11 LEU A 25 -14.588 7.225 -13.288 1.00 1.00 H +ATOM 374 HD12 LEU A 25 -13.498 8.106 -14.386 1.00 1.00 H +ATOM 375 HD13 LEU A 25 -15.072 8.810 -13.938 1.00 1.00 H +ATOM 376 HD21 LEU A 25 -14.334 6.460 -17.193 1.00 1.00 H +ATOM 377 HD22 LEU A 25 -14.879 8.154 -17.258 1.00 1.00 H +ATOM 378 HD23 LEU A 25 -13.383 7.735 -16.392 1.00 1.00 H +ATOM 379 N SER A 26 -17.442 7.064 -13.105 1.00 1.00 N +ATOM 380 CA SER A 26 -18.748 7.614 -12.787 1.00 1.00 C +ATOM 381 C SER A 26 -19.596 7.722 -14.056 1.00 1.00 C +ATOM 382 O SER A 26 -20.194 8.763 -14.321 1.00 1.00 O +ATOM 383 CB SER A 26 -18.621 8.983 -12.116 1.00 1.00 C +ATOM 384 OG SER A 26 -19.886 9.500 -11.710 1.00 1.00 O +ATOM 385 H SER A 26 -16.697 7.731 -13.129 1.00 1.00 H +ATOM 386 HA SER A 26 -19.196 6.908 -12.087 1.00 1.00 H +ATOM 387 HB2 SER A 26 -17.968 8.902 -11.247 1.00 1.00 H +ATOM 388 HB3 SER A 26 -18.148 9.683 -12.805 1.00 1.00 H +ATOM 389 HG SER A 26 -20.578 8.779 -11.750 1.00 1.00 H +ATOM 390 N SER A 27 -19.617 6.631 -14.808 1.00 1.00 N +ATOM 391 CA SER A 27 -20.380 6.591 -16.044 1.00 1.00 C +ATOM 392 C SER A 27 -20.014 7.786 -16.925 1.00 1.00 C +ATOM 393 O SER A 27 -19.447 8.766 -16.443 1.00 1.00 O +ATOM 394 CB SER A 27 -21.884 6.579 -15.762 1.00 1.00 C +ATOM 395 OG SER A 27 -22.624 6.005 -16.837 1.00 1.00 O +ATOM 396 H SER A 27 -19.127 5.789 -14.585 1.00 1.00 H +ATOM 397 HA SER A 27 -20.094 5.657 -16.530 1.00 1.00 H +ATOM 398 HB2 SER A 27 -22.078 6.017 -14.849 1.00 1.00 H +ATOM 399 HB3 SER A 27 -22.228 7.597 -15.589 1.00 1.00 H +ATOM 400 HG SER A 27 -23.571 6.325 -16.810 1.00 1.00 H +ATOM 401 N GLY A 28 -20.353 7.667 -18.200 1.00 1.00 N +ATOM 402 CA GLY A 28 -20.068 8.727 -19.153 1.00 1.00 C +ATOM 403 C GLY A 28 -20.260 10.105 -18.515 1.00 1.00 C +ATOM 404 O GLY A 28 -21.345 10.423 -18.030 1.00 1.00 O +ATOM 405 H GLY A 28 -20.815 6.868 -18.583 1.00 1.00 H +ATOM 406 HA2 GLY A 28 -19.044 8.629 -19.516 1.00 1.00 H +ATOM 407 HA3 GLY A 28 -20.722 8.628 -20.018 1.00 1.00 H +ATOM 408 N ILE A 29 -19.188 10.884 -18.535 1.00 1.00 N +ATOM 409 CA ILE A 29 -19.225 12.220 -17.964 1.00 1.00 C +ATOM 410 C ILE A 29 -18.704 13.224 -18.995 1.00 1.00 C +ATOM 411 O ILE A 29 -18.445 12.864 -20.142 1.00 1.00 O +ATOM 412 CB ILE A 29 -18.470 12.256 -16.635 1.00 1.00 C +ATOM 413 CG1 ILE A 29 -17.474 11.099 -16.538 1.00 1.00 C +ATOM 414 CG2 ILE A 29 -19.440 12.276 -15.453 1.00 1.00 C +ATOM 415 CD1 ILE A 29 -16.275 11.329 -17.460 1.00 1.00 C +ATOM 416 H ILE A 29 -18.309 10.618 -18.930 1.00 1.00 H +ATOM 417 HA ILE A 29 -20.268 12.455 -17.749 1.00 1.00 H +ATOM 418 HB ILE A 29 -17.894 13.180 -16.593 1.00 1.00 H +ATOM 419 HG12 ILE A 29 -17.131 10.993 -15.510 1.00 1.00 H +ATOM 420 HG13 ILE A 29 -17.968 10.165 -16.806 1.00 1.00 H +ATOM 421 HG21 ILE A 29 -20.231 11.544 -15.620 1.00 1.00 H +ATOM 422 HG22 ILE A 29 -18.904 12.027 -14.537 1.00 1.00 H +ATOM 423 HG23 ILE A 29 -19.878 13.268 -15.358 1.00 1.00 H +ATOM 424 HD11 ILE A 29 -16.623 11.455 -18.485 1.00 1.00 H +ATOM 425 HD12 ILE A 29 -15.741 12.227 -17.145 1.00 1.00 H +ATOM 426 HD13 ILE A 29 -15.604 10.470 -17.407 1.00 1.00 H +ATOM 427 N ASN A 30 -18.568 14.464 -18.549 1.00 1.00 N +ATOM 428 CA ASN A 30 -18.083 15.522 -19.418 1.00 1.00 C +ATOM 429 C ASN A 30 -16.567 15.391 -19.577 1.00 1.00 C +ATOM 430 O ASN A 30 -15.944 16.174 -20.293 1.00 1.00 O +ATOM 431 CB ASN A 30 -18.376 16.901 -18.823 1.00 1.00 C +ATOM 432 CG ASN A 30 -19.005 17.827 -19.866 1.00 1.00 C +ATOM 433 OD1 ASN A 30 -20.182 18.150 -19.819 1.00 1.00 O +ATOM 434 ND2 ASN A 30 -18.160 18.233 -20.808 1.00 1.00 N +ATOM 435 H ASN A 30 -18.781 14.750 -17.614 1.00 1.00 H +ATOM 436 HA ASN A 30 -18.615 15.388 -20.359 1.00 1.00 H +ATOM 437 HB2 ASN A 30 -19.048 16.798 -17.969 1.00 1.00 H +ATOM 438 HB3 ASN A 30 -17.453 17.345 -18.447 1.00 1.00 H +ATOM 439 HD21 ASN A 30 -17.207 17.931 -20.789 1.00 1.00 H +ATOM 440 HD22 ASN A 30 -18.477 18.842 -21.536 1.00 1.00 H +ATOM 441 N GLY A 31 -16.016 14.394 -18.899 1.00 1.00 N +ATOM 442 CA GLY A 31 -14.585 14.150 -18.958 1.00 1.00 C +ATOM 443 C GLY A 31 -14.029 13.816 -17.572 1.00 1.00 C +ATOM 444 O GLY A 31 -13.909 14.694 -16.720 1.00 1.00 O +ATOM 445 H GLY A 31 -16.531 13.762 -18.319 1.00 1.00 H +ATOM 446 HA2 GLY A 31 -14.382 13.327 -19.643 1.00 1.00 H +ATOM 447 HA3 GLY A 31 -14.079 15.029 -19.355 1.00 1.00 H +ATOM 448 N SER A 32 -13.704 12.545 -17.390 1.00 1.00 N +ATOM 449 CA SER A 32 -13.164 12.084 -16.124 1.00 1.00 C +ATOM 450 C SER A 32 -11.902 11.252 -16.363 1.00 1.00 C +ATOM 451 O SER A 32 -11.691 10.741 -17.461 1.00 1.00 O +ATOM 452 CB SER A 32 -14.198 11.268 -15.347 1.00 1.00 C +ATOM 453 OG SER A 32 -13.768 10.984 -14.019 1.00 1.00 O +ATOM 454 H SER A 32 -13.804 11.837 -18.089 1.00 1.00 H +ATOM 455 HA SER A 32 -12.925 12.989 -15.566 1.00 1.00 H +ATOM 456 HB2 SER A 32 -15.141 11.813 -15.314 1.00 1.00 H +ATOM 457 HB3 SER A 32 -14.389 10.331 -15.872 1.00 1.00 H +ATOM 458 HG SER A 32 -13.489 10.026 -13.946 1.00 1.00 H +ATOM 459 N PHE A 33 -11.096 11.143 -15.318 1.00 1.00 N +ATOM 460 CA PHE A 33 -9.861 10.382 -15.401 1.00 1.00 C +ATOM 461 C PHE A 33 -9.708 9.451 -14.197 1.00 1.00 C +ATOM 462 O PHE A 33 -10.256 9.716 -13.129 1.00 1.00 O +ATOM 463 CB PHE A 33 -8.712 11.393 -15.397 1.00 1.00 C +ATOM 464 CG PHE A 33 -9.016 12.683 -16.161 1.00 1.00 C +ATOM 465 CD1 PHE A 33 -10.167 13.365 -15.914 1.00 1.00 C +ATOM 466 CD2 PHE A 33 -8.135 13.150 -17.086 1.00 1.00 C +ATOM 467 CE1 PHE A 33 -10.449 14.562 -16.622 1.00 1.00 C +ATOM 468 CE2 PHE A 33 -8.417 14.348 -17.795 1.00 1.00 C +ATOM 469 CZ PHE A 33 -9.568 15.029 -17.549 1.00 1.00 C +ATOM 470 H PHE A 33 -11.274 11.562 -14.428 1.00 1.00 H +ATOM 471 HA PHE A 33 -9.908 9.789 -16.315 1.00 1.00 H +ATOM 472 HB2 PHE A 33 -8.464 11.643 -14.367 1.00 1.00 H +ATOM 473 HB3 PHE A 33 -7.829 10.925 -15.833 1.00 1.00 H +ATOM 474 HD1 PHE A 33 -10.872 12.991 -15.172 1.00 1.00 H +ATOM 475 HD2 PHE A 33 -7.212 12.604 -17.285 1.00 1.00 H +ATOM 476 HE1 PHE A 33 -11.371 15.108 -16.425 1.00 1.00 H +ATOM 477 HE2 PHE A 33 -7.710 14.722 -18.538 1.00 1.00 H +ATOM 478 HZ PHE A 33 -9.785 15.948 -18.092 1.00 1.00 H +ATOM 479 N LEU A 34 -8.960 8.378 -14.411 1.00 1.00 N +ATOM 480 CA LEU A 34 -8.729 7.406 -13.357 1.00 1.00 C +ATOM 481 C LEU A 34 -7.424 6.657 -13.638 1.00 1.00 C +ATOM 482 O LEU A 34 -7.303 5.970 -14.651 1.00 1.00 O +ATOM 483 CB LEU A 34 -9.943 6.487 -13.199 1.00 1.00 C +ATOM 484 CG LEU A 34 -10.271 5.596 -14.398 1.00 1.00 C +ATOM 485 CD1 LEU A 34 -10.674 4.192 -13.946 1.00 1.00 C +ATOM 486 CD2 LEU A 34 -11.339 6.241 -15.284 1.00 1.00 C +ATOM 487 H LEU A 34 -8.518 8.169 -15.283 1.00 1.00 H +ATOM 488 HA LEU A 34 -8.618 7.955 -12.423 1.00 1.00 H +ATOM 489 HB2 LEU A 34 -9.780 5.848 -12.331 1.00 1.00 H +ATOM 490 HB3 LEU A 34 -10.814 7.105 -12.980 1.00 1.00 H +ATOM 491 HG LEU A 34 -9.371 5.493 -15.005 1.00 1.00 H +ATOM 492 HD11 LEU A 34 -10.397 4.054 -12.901 1.00 1.00 H +ATOM 493 HD12 LEU A 34 -11.752 4.069 -14.055 1.00 1.00 H +ATOM 494 HD13 LEU A 34 -10.159 3.451 -14.558 1.00 1.00 H +ATOM 495 HD21 LEU A 34 -11.395 7.309 -15.068 1.00 1.00 H +ATOM 496 HD22 LEU A 34 -11.078 6.096 -16.332 1.00 1.00 H +ATOM 497 HD23 LEU A 34 -12.306 5.779 -15.083 1.00 1.00 H +ATOM 498 N VAL A 35 -6.480 6.814 -12.721 1.00 1.00 N +ATOM 499 CA VAL A 35 -5.189 6.161 -12.857 1.00 1.00 C +ATOM 500 C VAL A 35 -5.356 4.658 -12.626 1.00 1.00 C +ATOM 501 O VAL A 35 -6.115 4.240 -11.754 1.00 1.00 O +ATOM 502 CB VAL A 35 -4.177 6.803 -11.906 1.00 1.00 C +ATOM 503 CG1 VAL A 35 -2.853 6.034 -11.915 1.00 1.00 C +ATOM 504 CG2 VAL A 35 -3.957 8.277 -12.253 1.00 1.00 C +ATOM 505 H VAL A 35 -6.587 7.373 -11.898 1.00 1.00 H +ATOM 506 HA VAL A 35 -4.844 6.324 -13.877 1.00 1.00 H +ATOM 507 HB VAL A 35 -4.586 6.754 -10.898 1.00 1.00 H +ATOM 508 HG11 VAL A 35 -3.029 5.012 -12.250 1.00 1.00 H +ATOM 509 HG12 VAL A 35 -2.153 6.524 -12.592 1.00 1.00 H +ATOM 510 HG13 VAL A 35 -2.435 6.020 -10.908 1.00 1.00 H +ATOM 511 HG21 VAL A 35 -4.809 8.649 -12.821 1.00 1.00 H +ATOM 512 HG22 VAL A 35 -3.852 8.854 -11.335 1.00 1.00 H +ATOM 513 HG23 VAL A 35 -3.051 8.378 -12.851 1.00 1.00 H +ATOM 514 N ARG A 36 -4.634 3.886 -13.425 1.00 1.00 N +ATOM 515 CA ARG A 36 -4.692 2.438 -13.318 1.00 1.00 C +ATOM 516 C ARG A 36 -3.283 1.861 -13.157 1.00 1.00 C +ATOM 517 O ARG A 36 -2.316 2.607 -13.018 1.00 1.00 O +ATOM 518 CB ARG A 36 -5.349 1.821 -14.555 1.00 1.00 C +ATOM 519 CG ARG A 36 -6.206 2.852 -15.293 1.00 1.00 C +ATOM 520 CD ARG A 36 -5.544 3.275 -16.606 1.00 1.00 C +ATOM 521 NE ARG A 36 -5.329 2.092 -17.467 1.00 1.00 N +ATOM 522 CZ ARG A 36 -4.933 2.157 -18.747 1.00 1.00 C +ATOM 523 NH1 ARG A 36 -4.707 3.347 -19.320 1.00 1.00 N +ATOM 524 NH2 ARG A 36 -4.763 1.031 -19.452 1.00 1.00 N +ATOM 525 H ARG A 36 -4.018 4.234 -14.132 1.00 1.00 H +ATOM 526 HA ARG A 36 -5.297 2.247 -12.433 1.00 1.00 H +ATOM 527 HB2 ARG A 36 -4.582 1.435 -15.225 1.00 1.00 H +ATOM 528 HB3 ARG A 36 -5.970 0.975 -14.257 1.00 1.00 H +ATOM 529 HG2 ARG A 36 -7.191 2.434 -15.495 1.00 1.00 H +ATOM 530 HG3 ARG A 36 -6.355 3.726 -14.658 1.00 1.00 H +ATOM 531 HD2 ARG A 36 -6.172 4.001 -17.122 1.00 1.00 H +ATOM 532 HD3 ARG A 36 -4.592 3.765 -16.402 1.00 1.00 H +ATOM 533 HE ARG A 36 -5.489 1.187 -17.072 1.00 1.00 H +ATOM 534 HH11 ARG A 36 -4.834 4.187 -18.792 1.00 1.00 H +ATOM 535 HH12 ARG A 36 -4.414 3.394 -20.274 1.00 1.00 H +ATOM 536 HH21 ARG A 36 -4.930 0.141 -19.025 1.00 1.00 H +ATOM 537 HH22 ARG A 36 -4.468 1.077 -20.407 1.00 1.00 H +ATOM 538 N GLU A 37 -3.215 0.538 -13.181 1.00 1.00 N +ATOM 539 CA GLU A 37 -1.941 -0.148 -13.039 1.00 1.00 C +ATOM 540 C GLU A 37 -1.621 -0.939 -14.308 1.00 1.00 C +ATOM 541 O GLU A 37 -2.503 -1.568 -14.892 1.00 1.00 O +ATOM 542 CB GLU A 37 -1.945 -1.059 -11.809 1.00 1.00 C +ATOM 543 CG GLU A 37 -0.918 -0.590 -10.777 1.00 1.00 C +ATOM 544 CD GLU A 37 -0.609 -1.699 -9.767 1.00 1.00 C +ATOM 545 OE1 GLU A 37 -1.399 -1.825 -8.806 1.00 1.00 O +ATOM 546 OE2 GLU A 37 0.408 -2.392 -9.980 1.00 1.00 O +ATOM 547 H GLU A 37 -4.007 -0.062 -13.293 1.00 1.00 H +ATOM 548 HA GLU A 37 -1.203 0.640 -12.898 1.00 1.00 H +ATOM 549 HB2 GLU A 37 -2.938 -1.069 -11.362 1.00 1.00 H +ATOM 550 HB3 GLU A 37 -1.720 -2.083 -12.111 1.00 1.00 H +ATOM 551 HG2 GLU A 37 -0.001 -0.288 -11.281 1.00 1.00 H +ATOM 552 HG3 GLU A 37 -1.299 0.288 -10.253 1.00 1.00 H +ATOM 553 N SER A 38 -0.356 -0.884 -14.697 1.00 1.00 N +ATOM 554 CA SER A 38 0.093 -1.588 -15.887 1.00 1.00 C +ATOM 555 C SER A 38 0.224 -3.083 -15.591 1.00 1.00 C +ATOM 556 O SER A 38 1.325 -3.631 -15.617 1.00 1.00 O +ATOM 557 CB SER A 38 1.424 -1.028 -16.389 1.00 1.00 C +ATOM 558 OG SER A 38 2.539 -1.648 -15.753 1.00 1.00 O +ATOM 559 H SER A 38 0.356 -0.371 -14.217 1.00 1.00 H +ATOM 560 HA SER A 38 -0.680 -1.412 -16.634 1.00 1.00 H +ATOM 561 HB2 SER A 38 1.496 -1.173 -17.467 1.00 1.00 H +ATOM 562 HB3 SER A 38 1.457 0.048 -16.210 1.00 1.00 H +ATOM 563 HG SER A 38 2.350 -1.777 -14.780 1.00 1.00 H +ATOM 564 N GLU A 39 -0.916 -3.703 -15.318 1.00 1.00 N +ATOM 565 CA GLU A 39 -0.942 -5.124 -15.018 1.00 1.00 C +ATOM 566 C GLU A 39 0.056 -5.871 -15.904 1.00 1.00 C +ATOM 567 O GLU A 39 -0.268 -6.247 -17.030 1.00 1.00 O +ATOM 568 CB GLU A 39 -2.352 -5.692 -15.180 1.00 1.00 C +ATOM 569 CG GLU A 39 -2.469 -7.067 -14.518 1.00 1.00 C +ATOM 570 CD GLU A 39 -1.388 -7.256 -13.452 1.00 1.00 C +ATOM 571 OE1 GLU A 39 -1.542 -6.646 -12.372 1.00 1.00 O +ATOM 572 OE2 GLU A 39 -0.430 -8.005 -13.742 1.00 1.00 O +ATOM 573 H GLU A 39 -1.808 -3.249 -15.299 1.00 1.00 H +ATOM 574 HA GLU A 39 -0.641 -5.205 -13.973 1.00 1.00 H +ATOM 575 HB2 GLU A 39 -3.077 -5.009 -14.738 1.00 1.00 H +ATOM 576 HB3 GLU A 39 -2.596 -5.773 -16.240 1.00 1.00 H +ATOM 577 HG2 GLU A 39 -3.454 -7.173 -14.064 1.00 1.00 H +ATOM 578 HG3 GLU A 39 -2.381 -7.847 -15.274 1.00 1.00 H +ATOM 579 N SER A 40 1.251 -6.066 -15.363 1.00 1.00 N +ATOM 580 CA SER A 40 2.298 -6.761 -16.091 1.00 1.00 C +ATOM 581 C SER A 40 3.671 -6.264 -15.636 1.00 1.00 C +ATOM 582 O SER A 40 4.670 -6.967 -15.783 1.00 1.00 O +ATOM 583 CB SER A 40 2.139 -6.572 -17.601 1.00 1.00 C +ATOM 584 OG SER A 40 1.327 -7.591 -18.183 1.00 1.00 O +ATOM 585 H SER A 40 1.507 -5.757 -14.446 1.00 1.00 H +ATOM 586 HA SER A 40 2.172 -7.816 -15.841 1.00 1.00 H +ATOM 587 HB2 SER A 40 1.695 -5.597 -17.799 1.00 1.00 H +ATOM 588 HB3 SER A 40 3.121 -6.579 -18.072 1.00 1.00 H +ATOM 589 HG SER A 40 0.422 -7.223 -18.399 1.00 1.00 H +ATOM 590 N SER A 41 3.676 -5.056 -15.091 1.00 1.00 N +ATOM 591 CA SER A 41 4.911 -4.456 -14.614 1.00 1.00 C +ATOM 592 C SER A 41 4.869 -4.313 -13.091 1.00 1.00 C +ATOM 593 O SER A 41 3.827 -4.528 -12.473 1.00 1.00 O +ATOM 594 CB SER A 41 5.149 -3.093 -15.268 1.00 1.00 C +ATOM 595 OG SER A 41 4.410 -2.945 -16.477 1.00 1.00 O +ATOM 596 H SER A 41 2.860 -4.492 -14.975 1.00 1.00 H +ATOM 597 HA SER A 41 5.701 -5.144 -14.912 1.00 1.00 H +ATOM 598 HB2 SER A 41 4.870 -2.303 -14.572 1.00 1.00 H +ATOM 599 HB3 SER A 41 6.213 -2.972 -15.476 1.00 1.00 H +ATOM 600 HG SER A 41 3.871 -2.101 -16.446 1.00 1.00 H +ATOM 601 N PRO A 42 6.043 -3.942 -12.517 1.00 1.00 N +ATOM 602 CA PRO A 42 6.150 -3.769 -11.077 1.00 1.00 C +ATOM 603 C PRO A 42 5.481 -2.468 -10.630 1.00 1.00 C +ATOM 604 O PRO A 42 4.288 -2.450 -10.335 1.00 1.00 O +ATOM 605 CB PRO A 42 7.642 -3.800 -10.787 1.00 1.00 C +ATOM 606 CG PRO A 42 8.331 -3.523 -12.113 1.00 1.00 C +ATOM 607 CD PRO A 42 7.297 -3.680 -13.217 1.00 1.00 C +ATOM 608 HA PRO A 42 5.664 -4.504 -10.602 1.00 1.00 H +ATOM 609 HB2 PRO A 42 7.911 -3.050 -10.043 1.00 1.00 H +ATOM 610 HB3 PRO A 42 7.943 -4.768 -10.386 1.00 1.00 H +ATOM 611 HG2 PRO A 42 8.750 -2.517 -12.123 1.00 1.00 H +ATOM 612 HG3 PRO A 42 9.158 -4.215 -12.265 1.00 1.00 H +ATOM 613 HD2 PRO A 42 7.228 -2.778 -13.827 1.00 1.00 H +ATOM 614 HD3 PRO A 42 7.555 -4.499 -13.888 1.00 1.00 H +ATOM 615 N GLY A 43 6.279 -1.411 -10.595 1.00 1.00 N +ATOM 616 CA GLY A 43 5.779 -0.109 -10.189 1.00 1.00 C +ATOM 617 C GLY A 43 5.405 0.739 -11.407 1.00 1.00 C +ATOM 618 O GLY A 43 6.045 1.752 -11.684 1.00 1.00 O +ATOM 619 H GLY A 43 7.250 -1.434 -10.837 1.00 1.00 H +ATOM 620 HA2 GLY A 43 4.908 -0.234 -9.547 1.00 1.00 H +ATOM 621 HA3 GLY A 43 6.537 0.409 -9.601 1.00 1.00 H +ATOM 622 N GLN A 44 4.369 0.292 -12.103 1.00 1.00 N +ATOM 623 CA GLN A 44 3.901 0.996 -13.285 1.00 1.00 C +ATOM 624 C GLN A 44 2.453 1.453 -13.092 1.00 1.00 C +ATOM 625 O GLN A 44 1.643 0.731 -12.515 1.00 1.00 O +ATOM 626 CB GLN A 44 4.040 0.124 -14.533 1.00 1.00 C +ATOM 627 CG GLN A 44 5.370 0.387 -15.241 1.00 1.00 C +ATOM 628 CD GLN A 44 6.515 0.507 -14.231 1.00 1.00 C +ATOM 629 OE1 GLN A 44 7.011 -0.472 -13.697 1.00 1.00 O +ATOM 630 NE2 GLN A 44 6.903 1.757 -13.999 1.00 1.00 N +ATOM 631 H GLN A 44 3.854 -0.533 -11.871 1.00 1.00 H +ATOM 632 HA GLN A 44 4.553 1.865 -13.381 1.00 1.00 H +ATOM 633 HB2 GLN A 44 3.974 -0.928 -14.256 1.00 1.00 H +ATOM 634 HB3 GLN A 44 3.214 0.327 -15.217 1.00 1.00 H +ATOM 635 HG2 GLN A 44 5.582 -0.423 -15.940 1.00 1.00 H +ATOM 636 HG3 GLN A 44 5.302 1.303 -15.826 1.00 1.00 H +ATOM 637 HE21 GLN A 44 6.452 2.515 -14.471 1.00 1.00 H +ATOM 638 HE22 GLN A 44 7.644 1.939 -13.353 1.00 1.00 H +ATOM 639 N ARG A 45 2.173 2.649 -13.588 1.00 1.00 N +ATOM 640 CA ARG A 45 0.838 3.210 -13.478 1.00 1.00 C +ATOM 641 C ARG A 45 0.343 3.676 -14.849 1.00 1.00 C +ATOM 642 O ARG A 45 1.133 4.122 -15.680 1.00 1.00 O +ATOM 643 CB ARG A 45 0.815 4.393 -12.507 1.00 1.00 C +ATOM 644 CG ARG A 45 1.315 3.977 -11.123 1.00 1.00 C +ATOM 645 CD ARG A 45 0.554 2.752 -10.612 1.00 1.00 C +ATOM 646 NE ARG A 45 0.123 2.970 -9.213 1.00 1.00 N +ATOM 647 CZ ARG A 45 0.066 2.005 -8.285 1.00 1.00 C +ATOM 648 NH1 ARG A 45 0.409 0.750 -8.601 1.00 1.00 N +ATOM 649 NH2 ARG A 45 -0.338 2.296 -7.041 1.00 1.00 N +ATOM 650 H ARG A 45 2.838 3.230 -14.057 1.00 1.00 H +ATOM 651 HA ARG A 45 0.224 2.396 -13.096 1.00 1.00 H +ATOM 652 HB2 ARG A 45 1.439 5.198 -12.896 1.00 1.00 H +ATOM 653 HB3 ARG A 45 -0.199 4.785 -12.430 1.00 1.00 H +ATOM 654 HG2 ARG A 45 2.381 3.754 -11.169 1.00 1.00 H +ATOM 655 HG3 ARG A 45 1.191 4.803 -10.423 1.00 1.00 H +ATOM 656 HD2 ARG A 45 -0.314 2.562 -11.243 1.00 1.00 H +ATOM 657 HD3 ARG A 45 1.190 1.867 -10.672 1.00 1.00 H +ATOM 658 HE ARG A 45 -0.142 3.896 -8.944 1.00 1.00 H +ATOM 659 HH11 ARG A 45 0.711 0.533 -9.531 1.00 1.00 H +ATOM 660 HH12 ARG A 45 0.367 0.030 -7.909 1.00 1.00 H +ATOM 661 HH21 ARG A 45 -0.597 3.233 -6.805 1.00 1.00 H +ATOM 662 HH22 ARG A 45 -0.382 1.576 -6.348 1.00 1.00 H +ATOM 663 N SER A 46 -0.963 3.554 -15.044 1.00 1.00 N +ATOM 664 CA SER A 46 -1.572 3.955 -16.300 1.00 1.00 C +ATOM 665 C SER A 46 -2.602 5.061 -16.053 1.00 1.00 C +ATOM 666 O SER A 46 -2.877 5.411 -14.906 1.00 1.00 O +ATOM 667 CB SER A 46 -2.230 2.764 -16.999 1.00 1.00 C +ATOM 668 OG SER A 46 -2.540 1.714 -16.087 1.00 1.00 O +ATOM 669 H SER A 46 -1.598 3.190 -14.363 1.00 1.00 H +ATOM 670 HA SER A 46 -0.751 4.329 -16.913 1.00 1.00 H +ATOM 671 HB2 SER A 46 -3.143 3.093 -17.496 1.00 1.00 H +ATOM 672 HB3 SER A 46 -1.565 2.386 -17.775 1.00 1.00 H +ATOM 673 HG SER A 46 -3.126 1.038 -16.531 1.00 1.00 H +ATOM 674 N ILE A 47 -3.139 5.579 -17.146 1.00 1.00 N +ATOM 675 CA ILE A 47 -4.132 6.638 -17.063 1.00 1.00 C +ATOM 676 C ILE A 47 -5.369 6.236 -17.869 1.00 1.00 C +ATOM 677 O ILE A 47 -5.268 5.924 -19.054 1.00 1.00 O +ATOM 678 CB ILE A 47 -3.527 7.976 -17.491 1.00 1.00 C +ATOM 679 CG1 ILE A 47 -3.069 8.785 -16.276 1.00 1.00 C +ATOM 680 CG2 ILE A 47 -4.502 8.762 -18.369 1.00 1.00 C +ATOM 681 CD1 ILE A 47 -4.220 8.991 -15.290 1.00 1.00 C +ATOM 682 H ILE A 47 -2.909 5.289 -18.074 1.00 1.00 H +ATOM 683 HA ILE A 47 -4.419 6.734 -16.015 1.00 1.00 H +ATOM 684 HB ILE A 47 -2.641 7.772 -18.095 1.00 1.00 H +ATOM 685 HG12 ILE A 47 -2.247 8.267 -15.778 1.00 1.00 H +ATOM 686 HG13 ILE A 47 -2.686 9.751 -16.602 1.00 1.00 H +ATOM 687 HG21 ILE A 47 -4.829 8.137 -19.200 1.00 1.00 H +ATOM 688 HG22 ILE A 47 -5.366 9.059 -17.775 1.00 1.00 H +ATOM 689 HG23 ILE A 47 -4.004 9.652 -18.756 1.00 1.00 H +ATOM 690 HD11 ILE A 47 -5.144 9.160 -15.841 1.00 1.00 H +ATOM 691 HD12 ILE A 47 -4.326 8.104 -14.665 1.00 1.00 H +ATOM 692 HD13 ILE A 47 -4.008 9.856 -14.660 1.00 1.00 H +ATOM 693 N SER A 48 -6.508 6.257 -17.193 1.00 1.00 N +ATOM 694 CA SER A 48 -7.764 5.898 -17.832 1.00 1.00 C +ATOM 695 C SER A 48 -8.697 7.111 -17.870 1.00 1.00 C +ATOM 696 O SER A 48 -9.410 7.379 -16.903 1.00 1.00 O +ATOM 697 CB SER A 48 -8.438 4.733 -17.107 1.00 1.00 C +ATOM 698 OG SER A 48 -8.466 3.552 -17.905 1.00 1.00 O +ATOM 699 H SER A 48 -6.583 6.511 -16.230 1.00 1.00 H +ATOM 700 HA SER A 48 -7.496 5.591 -18.843 1.00 1.00 H +ATOM 701 HB2 SER A 48 -7.907 4.528 -16.177 1.00 1.00 H +ATOM 702 HB3 SER A 48 -9.456 5.012 -16.838 1.00 1.00 H +ATOM 703 HG SER A 48 -7.751 2.920 -17.606 1.00 1.00 H +ATOM 704 N LEU A 49 -8.661 7.810 -18.994 1.00 1.00 N +ATOM 705 CA LEU A 49 -9.494 8.987 -19.169 1.00 1.00 C +ATOM 706 C LEU A 49 -10.739 8.610 -19.976 1.00 1.00 C +ATOM 707 O LEU A 49 -10.722 7.640 -20.732 1.00 1.00 O +ATOM 708 CB LEU A 49 -8.685 10.130 -19.786 1.00 1.00 C +ATOM 709 CG LEU A 49 -7.171 9.918 -19.852 1.00 1.00 C +ATOM 710 CD1 LEU A 49 -6.714 9.677 -21.291 1.00 1.00 C +ATOM 711 CD2 LEU A 49 -6.425 11.087 -19.203 1.00 1.00 C +ATOM 712 H LEU A 49 -8.078 7.584 -19.775 1.00 1.00 H +ATOM 713 HA LEU A 49 -9.810 9.314 -18.179 1.00 1.00 H +ATOM 714 HB2 LEU A 49 -9.051 10.305 -20.797 1.00 1.00 H +ATOM 715 HB3 LEU A 49 -8.881 11.037 -19.214 1.00 1.00 H +ATOM 716 HG LEU A 49 -6.925 9.023 -19.281 1.00 1.00 H +ATOM 717 HD11 LEU A 49 -7.494 10.004 -21.981 1.00 1.00 H +ATOM 718 HD12 LEU A 49 -5.801 10.241 -21.483 1.00 1.00 H +ATOM 719 HD13 LEU A 49 -6.521 8.614 -21.437 1.00 1.00 H +ATOM 720 HD21 LEU A 49 -6.977 12.011 -19.376 1.00 1.00 H +ATOM 721 HD22 LEU A 49 -6.338 10.911 -18.130 1.00 1.00 H +ATOM 722 HD23 LEU A 49 -5.430 11.171 -19.639 1.00 1.00 H +ATOM 723 N ARG A 50 -11.788 9.396 -19.787 1.00 1.00 N +ATOM 724 CA ARG A 50 -13.038 9.158 -20.488 1.00 1.00 C +ATOM 725 C ARG A 50 -13.825 10.462 -20.629 1.00 1.00 C +ATOM 726 O ARG A 50 -13.747 11.335 -19.765 1.00 1.00 O +ATOM 727 CB ARG A 50 -13.896 8.129 -19.749 1.00 1.00 C +ATOM 728 CG ARG A 50 -15.382 8.477 -19.854 1.00 1.00 C +ATOM 729 CD ARG A 50 -16.236 7.481 -19.066 1.00 1.00 C +ATOM 730 NE ARG A 50 -17.166 6.780 -19.979 1.00 1.00 N +ATOM 731 CZ ARG A 50 -18.086 5.891 -19.578 1.00 1.00 C +ATOM 732 NH1 ARG A 50 -18.201 5.589 -18.276 1.00 1.00 N +ATOM 733 NH2 ARG A 50 -18.888 5.305 -20.475 1.00 1.00 N +ATOM 734 H ARG A 50 -11.793 10.184 -19.170 1.00 1.00 H +ATOM 735 HA ARG A 50 -12.742 8.772 -21.464 1.00 1.00 H +ATOM 736 HB2 ARG A 50 -13.721 7.137 -20.166 1.00 1.00 H +ATOM 737 HB3 ARG A 50 -13.601 8.090 -18.701 1.00 1.00 H +ATOM 738 HG2 ARG A 50 -15.551 9.486 -19.475 1.00 1.00 H +ATOM 739 HG3 ARG A 50 -15.688 8.476 -20.901 1.00 1.00 H +ATOM 740 HD2 ARG A 50 -15.595 6.759 -18.562 1.00 1.00 H +ATOM 741 HD3 ARG A 50 -16.797 8.004 -18.292 1.00 1.00 H +ATOM 742 HE ARG A 50 -17.106 6.982 -20.955 1.00 1.00 H +ATOM 743 HH11 ARG A 50 -17.603 6.027 -17.605 1.00 1.00 H +ATOM 744 HH12 ARG A 50 -18.888 4.926 -17.977 1.00 1.00 H +ATOM 745 HH21 ARG A 50 -18.800 5.530 -21.446 1.00 1.00 H +ATOM 746 HH22 ARG A 50 -19.574 4.640 -20.176 1.00 1.00 H +ATOM 747 N TYR A 51 -14.566 10.553 -21.723 1.00 1.00 N +ATOM 748 CA TYR A 51 -15.368 11.736 -21.988 1.00 1.00 C +ATOM 749 C TYR A 51 -16.860 11.435 -21.828 1.00 1.00 C +ATOM 750 O TYR A 51 -17.287 10.922 -20.794 1.00 1.00 O +ATOM 751 CB TYR A 51 -15.090 12.116 -23.443 1.00 1.00 C +ATOM 752 CG TYR A 51 -13.620 12.428 -23.736 1.00 1.00 C +ATOM 753 CD1 TYR A 51 -12.667 11.438 -23.604 1.00 1.00 C +ATOM 754 CD2 TYR A 51 -13.248 13.695 -24.129 1.00 1.00 C +ATOM 755 CE1 TYR A 51 -11.284 11.730 -23.879 1.00 1.00 C +ATOM 756 CE2 TYR A 51 -11.865 13.988 -24.405 1.00 1.00 C +ATOM 757 CZ TYR A 51 -10.951 12.991 -24.266 1.00 1.00 C +ATOM 758 OH TYR A 51 -9.646 13.266 -24.524 1.00 1.00 O +ATOM 759 H TYR A 51 -14.626 9.838 -22.420 1.00 1.00 H +ATOM 760 HA TYR A 51 -15.081 12.504 -21.269 1.00 1.00 H +ATOM 761 HB2 TYR A 51 -15.414 11.302 -24.091 1.00 1.00 H +ATOM 762 HB3 TYR A 51 -15.693 12.988 -23.702 1.00 1.00 H +ATOM 763 HD1 TYR A 51 -12.961 10.436 -23.292 1.00 1.00 H +ATOM 764 HD2 TYR A 51 -14.001 14.477 -24.234 1.00 1.00 H +ATOM 765 HE1 TYR A 51 -10.521 10.958 -23.779 1.00 1.00 H +ATOM 766 HE2 TYR A 51 -11.558 14.986 -24.718 1.00 1.00 H +ATOM 767 HH TYR A 51 -9.483 14.250 -24.453 1.00 1.00 H +ATOM 768 N GLU A 52 -17.613 11.767 -22.867 1.00 1.00 N +ATOM 769 CA GLU A 52 -19.048 11.538 -22.855 1.00 1.00 C +ATOM 770 C GLU A 52 -19.361 10.106 -23.294 1.00 1.00 C +ATOM 771 O GLU A 52 -20.209 9.889 -24.157 1.00 1.00 O +ATOM 772 CB GLU A 52 -19.771 12.555 -23.741 1.00 1.00 C +ATOM 773 CG GLU A 52 -21.172 12.852 -23.201 1.00 1.00 C +ATOM 774 CD GLU A 52 -21.107 13.362 -21.760 1.00 1.00 C +ATOM 775 OE1 GLU A 52 -20.093 14.016 -21.435 1.00 1.00 O +ATOM 776 OE2 GLU A 52 -22.074 13.084 -21.017 1.00 1.00 O +ATOM 777 H GLU A 52 -17.258 12.184 -23.703 1.00 1.00 H +ATOM 778 HA GLU A 52 -19.355 11.684 -21.819 1.00 1.00 H +ATOM 779 HB2 GLU A 52 -19.194 13.476 -23.790 1.00 1.00 H +ATOM 780 HB3 GLU A 52 -19.844 12.168 -24.758 1.00 1.00 H +ATOM 781 HG2 GLU A 52 -21.658 13.597 -23.833 1.00 1.00 H +ATOM 782 HG3 GLU A 52 -21.782 11.949 -23.245 1.00 1.00 H +ATOM 783 N GLY A 53 -18.659 9.167 -22.679 1.00 1.00 N +ATOM 784 CA GLY A 53 -18.851 7.760 -22.995 1.00 1.00 C +ATOM 785 C GLY A 53 -17.527 7.099 -23.380 1.00 1.00 C +ATOM 786 O GLY A 53 -17.241 5.981 -22.956 1.00 1.00 O +ATOM 787 H GLY A 53 -17.970 9.351 -21.978 1.00 1.00 H +ATOM 788 HA2 GLY A 53 -19.282 7.247 -22.136 1.00 1.00 H +ATOM 789 HA3 GLY A 53 -19.563 7.664 -23.815 1.00 1.00 H +ATOM 790 N ARG A 54 -16.753 7.819 -24.179 1.00 1.00 N +ATOM 791 CA ARG A 54 -15.465 7.316 -24.626 1.00 1.00 C +ATOM 792 C ARG A 54 -14.483 7.254 -23.455 1.00 1.00 C +ATOM 793 O ARG A 54 -14.449 8.156 -22.621 1.00 1.00 O +ATOM 794 CB ARG A 54 -14.879 8.202 -25.727 1.00 1.00 C +ATOM 795 CG ARG A 54 -14.270 7.356 -26.847 1.00 1.00 C +ATOM 796 CD ARG A 54 -13.837 8.232 -28.023 1.00 1.00 C +ATOM 797 NE ARG A 54 -14.890 8.241 -29.064 1.00 1.00 N +ATOM 798 CZ ARG A 54 -15.164 9.294 -29.846 1.00 1.00 C +ATOM 799 NH1 ARG A 54 -14.466 10.429 -29.711 1.00 1.00 N +ATOM 800 NH2 ARG A 54 -16.137 9.210 -30.763 1.00 1.00 N +ATOM 801 H ARG A 54 -16.992 8.728 -24.520 1.00 1.00 H +ATOM 802 HA ARG A 54 -15.675 6.319 -25.015 1.00 1.00 H +ATOM 803 HB2 ARG A 54 -15.659 8.845 -26.136 1.00 1.00 H +ATOM 804 HB3 ARG A 54 -14.115 8.857 -25.306 1.00 1.00 H +ATOM 805 HG2 ARG A 54 -13.411 6.804 -26.465 1.00 1.00 H +ATOM 806 HG3 ARG A 54 -14.997 6.618 -27.188 1.00 1.00 H +ATOM 807 HD2 ARG A 54 -13.646 9.249 -27.679 1.00 1.00 H +ATOM 808 HD3 ARG A 54 -12.902 7.857 -28.443 1.00 1.00 H +ATOM 809 HE ARG A 54 -15.431 7.409 -29.190 1.00 1.00 H +ATOM 810 HH11 ARG A 54 -13.739 10.490 -29.027 1.00 1.00 H +ATOM 811 HH12 ARG A 54 -14.671 11.214 -30.295 1.00 1.00 H +ATOM 812 HH21 ARG A 54 -16.659 8.363 -30.863 1.00 1.00 H +ATOM 813 HH22 ARG A 54 -16.343 9.996 -31.347 1.00 1.00 H +ATOM 814 N VAL A 55 -13.708 6.179 -23.429 1.00 1.00 N +ATOM 815 CA VAL A 55 -12.728 5.988 -22.374 1.00 1.00 C +ATOM 816 C VAL A 55 -11.369 5.663 -22.998 1.00 1.00 C +ATOM 817 O VAL A 55 -11.184 4.586 -23.562 1.00 1.00 O +ATOM 818 CB VAL A 55 -13.212 4.910 -21.400 1.00 1.00 C +ATOM 819 CG1 VAL A 55 -12.324 4.858 -20.156 1.00 1.00 C +ATOM 820 CG2 VAL A 55 -14.676 5.133 -21.019 1.00 1.00 C +ATOM 821 H VAL A 55 -13.742 5.450 -24.113 1.00 1.00 H +ATOM 822 HA VAL A 55 -12.648 6.926 -21.826 1.00 1.00 H +ATOM 823 HB VAL A 55 -13.140 3.947 -21.904 1.00 1.00 H +ATOM 824 HG11 VAL A 55 -11.284 5.011 -20.444 1.00 1.00 H +ATOM 825 HG12 VAL A 55 -12.626 5.641 -19.460 1.00 1.00 H +ATOM 826 HG13 VAL A 55 -12.429 3.885 -19.676 1.00 1.00 H +ATOM 827 HG21 VAL A 55 -14.996 6.118 -21.362 1.00 1.00 H +ATOM 828 HG22 VAL A 55 -15.295 4.368 -21.488 1.00 1.00 H +ATOM 829 HG23 VAL A 55 -14.785 5.073 -19.938 1.00 1.00 H +ATOM 830 N TYR A 56 -10.455 6.614 -22.875 1.00 1.00 N +ATOM 831 CA TYR A 56 -9.120 6.443 -23.419 1.00 1.00 C +ATOM 832 C TYR A 56 -8.174 5.844 -22.376 1.00 1.00 C +ATOM 833 O TYR A 56 -8.227 6.207 -21.202 1.00 1.00 O +ATOM 834 CB TYR A 56 -8.630 7.846 -23.786 1.00 1.00 C +ATOM 835 CG TYR A 56 -9.383 8.480 -24.957 1.00 1.00 C +ATOM 836 CD1 TYR A 56 -10.697 8.871 -24.801 1.00 1.00 C +ATOM 837 CD2 TYR A 56 -8.748 8.663 -26.168 1.00 1.00 C +ATOM 838 CE1 TYR A 56 -11.406 9.469 -25.904 1.00 1.00 C +ATOM 839 CE2 TYR A 56 -9.456 9.260 -27.270 1.00 1.00 C +ATOM 840 CZ TYR A 56 -10.751 9.633 -27.084 1.00 1.00 C +ATOM 841 OH TYR A 56 -11.420 10.199 -28.124 1.00 1.00 O +ATOM 842 H TYR A 56 -10.616 7.486 -22.414 1.00 1.00 H +ATOM 843 HA TYR A 56 -9.187 5.764 -24.270 1.00 1.00 H +ATOM 844 HB2 TYR A 56 -8.725 8.492 -22.913 1.00 1.00 H +ATOM 845 HB3 TYR A 56 -7.569 7.796 -24.034 1.00 1.00 H +ATOM 846 HD1 TYR A 56 -11.201 8.727 -23.844 1.00 1.00 H +ATOM 847 HD2 TYR A 56 -7.710 8.355 -26.290 1.00 1.00 H +ATOM 848 HE1 TYR A 56 -12.445 9.781 -25.794 1.00 1.00 H +ATOM 849 HE2 TYR A 56 -8.966 9.411 -28.232 1.00 1.00 H +ATOM 850 HH TYR A 56 -11.622 11.155 -27.922 1.00 1.00 H +ATOM 851 N HIS A 57 -7.332 4.933 -22.840 1.00 1.00 N +ATOM 852 CA HIS A 57 -6.376 4.279 -21.963 1.00 1.00 C +ATOM 853 C HIS A 57 -4.953 4.604 -22.420 1.00 1.00 C +ATOM 854 O HIS A 57 -4.490 4.087 -23.435 1.00 1.00 O +ATOM 855 CB HIS A 57 -6.647 2.775 -21.889 1.00 1.00 C +ATOM 856 CG HIS A 57 -8.113 2.412 -21.917 1.00 1.00 C +ATOM 857 ND1 HIS A 57 -8.894 2.367 -20.776 1.00 1.00 N +ATOM 858 CD2 HIS A 57 -8.929 2.079 -22.957 1.00 1.00 C +ATOM 859 CE1 HIS A 57 -10.124 2.020 -21.126 1.00 1.00 C +ATOM 860 NE2 HIS A 57 -10.144 1.842 -22.478 1.00 1.00 N +ATOM 861 H HIS A 57 -7.295 4.642 -23.797 1.00 1.00 H +ATOM 862 HA HIS A 57 -6.534 4.693 -20.967 1.00 1.00 H +ATOM 863 HB2 HIS A 57 -6.147 2.286 -22.725 1.00 1.00 H +ATOM 864 HB3 HIS A 57 -6.202 2.380 -20.976 1.00 1.00 H +ATOM 865 HD1 HIS A 57 -8.584 2.561 -19.846 1.00 1.00 H +ATOM 866 HD2 HIS A 57 -8.633 2.019 -24.006 1.00 1.00 H +ATOM 867 HE1 HIS A 57 -10.973 1.898 -20.452 1.00 1.00 H +ATOM 868 N TYR A 58 -4.300 5.458 -21.647 1.00 1.00 N +ATOM 869 CA TYR A 58 -2.938 5.859 -21.960 1.00 1.00 C +ATOM 870 C TYR A 58 -2.011 5.633 -20.763 1.00 1.00 C +ATOM 871 O TYR A 58 -2.028 6.405 -19.806 1.00 1.00 O +ATOM 872 CB TYR A 58 -2.998 7.357 -22.267 1.00 1.00 C +ATOM 873 CG TYR A 58 -2.864 7.693 -23.754 1.00 1.00 C +ATOM 874 CD1 TYR A 58 -3.894 7.400 -24.623 1.00 1.00 C +ATOM 875 CD2 TYR A 58 -1.713 8.290 -24.224 1.00 1.00 C +ATOM 876 CE1 TYR A 58 -3.767 7.716 -26.023 1.00 1.00 C +ATOM 877 CE2 TYR A 58 -1.586 8.607 -25.623 1.00 1.00 C +ATOM 878 CZ TYR A 58 -2.619 8.304 -26.453 1.00 1.00 C +ATOM 879 OH TYR A 58 -2.501 8.604 -27.775 1.00 1.00 O +ATOM 880 H TYR A 58 -4.684 5.874 -20.822 1.00 1.00 H +ATOM 881 HA TYR A 58 -2.592 5.252 -22.797 1.00 1.00 H +ATOM 882 HB2 TYR A 58 -3.945 7.756 -21.899 1.00 1.00 H +ATOM 883 HB3 TYR A 58 -2.205 7.863 -21.717 1.00 1.00 H +ATOM 884 HD1 TYR A 58 -4.804 6.928 -24.251 1.00 1.00 H +ATOM 885 HD2 TYR A 58 -0.899 8.522 -23.537 1.00 1.00 H +ATOM 886 HE1 TYR A 58 -4.573 7.491 -26.720 1.00 1.00 H +ATOM 887 HE2 TYR A 58 -0.681 9.079 -26.008 1.00 1.00 H +ATOM 888 HH TYR A 58 -1.820 9.327 -27.901 1.00 1.00 H +ATOM 889 N ARG A 59 -1.224 4.572 -20.858 1.00 1.00 N +ATOM 890 CA ARG A 59 -0.293 4.234 -19.795 1.00 1.00 C +ATOM 891 C ARG A 59 0.843 5.257 -19.740 1.00 1.00 C +ATOM 892 O ARG A 59 1.335 5.702 -20.776 1.00 1.00 O +ATOM 893 CB ARG A 59 0.299 2.839 -20.003 1.00 1.00 C +ATOM 894 CG ARG A 59 1.033 2.748 -21.343 1.00 1.00 C +ATOM 895 CD ARG A 59 2.477 2.281 -21.147 1.00 1.00 C +ATOM 896 NE ARG A 59 3.129 2.090 -22.461 1.00 1.00 N +ATOM 897 CZ ARG A 59 2.943 1.020 -23.244 1.00 1.00 C +ATOM 898 NH1 ARG A 59 2.121 0.036 -22.851 1.00 1.00 N +ATOM 899 NH2 ARG A 59 3.577 0.931 -24.422 1.00 1.00 N +ATOM 900 H ARG A 59 -1.217 3.948 -21.640 1.00 1.00 H +ATOM 901 HA ARG A 59 -0.888 4.260 -18.883 1.00 1.00 H +ATOM 902 HB2 ARG A 59 0.988 2.606 -19.192 1.00 1.00 H +ATOM 903 HB3 ARG A 59 -0.496 2.093 -19.969 1.00 1.00 H +ATOM 904 HG2 ARG A 59 0.509 2.056 -22.003 1.00 1.00 H +ATOM 905 HG3 ARG A 59 1.024 3.722 -21.833 1.00 1.00 H +ATOM 906 HD2 ARG A 59 3.028 3.016 -20.560 1.00 1.00 H +ATOM 907 HD3 ARG A 59 2.492 1.348 -20.586 1.00 1.00 H +ATOM 908 HE ARG A 59 3.748 2.806 -22.785 1.00 1.00 H +ATOM 909 HH11 ARG A 59 1.648 0.102 -21.973 1.00 1.00 H +ATOM 910 HH12 ARG A 59 1.983 -0.763 -23.435 1.00 1.00 H +ATOM 911 HH21 ARG A 59 4.189 1.665 -24.715 1.00 1.00 H +ATOM 912 HH22 ARG A 59 3.437 0.132 -25.006 1.00 1.00 H +ATOM 913 N ILE A 60 1.226 5.604 -18.519 1.00 1.00 N +ATOM 914 CA ILE A 60 2.295 6.567 -18.316 1.00 1.00 C +ATOM 915 C ILE A 60 3.621 5.957 -18.771 1.00 1.00 C +ATOM 916 O ILE A 60 3.811 4.744 -18.688 1.00 1.00 O +ATOM 917 CB ILE A 60 2.308 7.053 -16.864 1.00 1.00 C +ATOM 918 CG1 ILE A 60 0.903 7.444 -16.403 1.00 1.00 C +ATOM 919 CG2 ILE A 60 3.310 8.193 -16.677 1.00 1.00 C +ATOM 920 CD1 ILE A 60 0.689 7.084 -14.932 1.00 1.00 C +ATOM 921 H ILE A 60 0.821 5.238 -17.681 1.00 1.00 H +ATOM 922 HA ILE A 60 2.079 7.432 -18.942 1.00 1.00 H +ATOM 923 HB ILE A 60 2.636 6.229 -16.231 1.00 1.00 H +ATOM 924 HG12 ILE A 60 0.753 8.514 -16.545 1.00 1.00 H +ATOM 925 HG13 ILE A 60 0.159 6.934 -17.017 1.00 1.00 H +ATOM 926 HG21 ILE A 60 3.366 8.782 -17.592 1.00 1.00 H +ATOM 927 HG22 ILE A 60 2.986 8.831 -15.854 1.00 1.00 H +ATOM 928 HG23 ILE A 60 4.293 7.780 -16.451 1.00 1.00 H +ATOM 929 HD11 ILE A 60 1.298 6.217 -14.676 1.00 1.00 H +ATOM 930 HD12 ILE A 60 0.978 7.928 -14.306 1.00 1.00 H +ATOM 931 HD13 ILE A 60 -0.363 6.853 -14.763 1.00 1.00 H +ATOM 932 N ASN A 61 4.504 6.824 -19.244 1.00 1.00 N +ATOM 933 CA ASN A 61 5.806 6.385 -19.714 1.00 1.00 C +ATOM 934 C ASN A 61 6.881 6.838 -18.723 1.00 1.00 C +ATOM 935 O ASN A 61 6.762 7.903 -18.118 1.00 1.00 O +ATOM 936 CB ASN A 61 6.134 6.994 -21.078 1.00 1.00 C +ATOM 937 CG ASN A 61 4.887 7.062 -21.962 1.00 1.00 C +ATOM 938 OD1 ASN A 61 4.481 6.095 -22.584 1.00 1.00 O +ATOM 939 ND2 ASN A 61 4.303 8.258 -21.983 1.00 1.00 N +ATOM 940 H ASN A 61 4.342 7.809 -19.308 1.00 1.00 H +ATOM 941 HA ASN A 61 5.735 5.299 -19.784 1.00 1.00 H +ATOM 942 HB2 ASN A 61 6.545 7.995 -20.945 1.00 1.00 H +ATOM 943 HB3 ASN A 61 6.902 6.397 -21.573 1.00 1.00 H +ATOM 944 HD21 ASN A 61 4.688 9.011 -21.449 1.00 1.00 H +ATOM 945 HD22 ASN A 61 3.481 8.404 -22.532 1.00 1.00 H +ATOM 946 N THR A 62 7.904 6.008 -18.589 1.00 1.00 N +ATOM 947 CA THR A 62 8.999 6.312 -17.683 1.00 1.00 C +ATOM 948 C THR A 62 10.278 6.603 -18.470 1.00 1.00 C +ATOM 949 O THR A 62 10.474 6.076 -19.564 1.00 1.00 O +ATOM 950 CB THR A 62 9.140 5.144 -16.705 1.00 1.00 C +ATOM 951 OG1 THR A 62 7.909 5.142 -15.985 1.00 1.00 O +ATOM 952 CG2 THR A 62 10.199 5.403 -15.631 1.00 1.00 C +ATOM 953 H THR A 62 7.994 5.145 -19.084 1.00 1.00 H +ATOM 954 HA THR A 62 8.749 7.218 -17.132 1.00 1.00 H +ATOM 955 HB THR A 62 9.344 4.214 -17.236 1.00 1.00 H +ATOM 956 HG1 THR A 62 7.353 4.359 -16.262 1.00 1.00 H +ATOM 957 HG21 THR A 62 10.740 6.318 -15.869 1.00 1.00 H +ATOM 958 HG22 THR A 62 9.713 5.510 -14.661 1.00 1.00 H +ATOM 959 HG23 THR A 62 10.896 4.566 -15.598 1.00 1.00 H +ATOM 960 N ALA A 63 11.118 7.443 -17.882 1.00 1.00 N +ATOM 961 CA ALA A 63 12.373 7.811 -18.514 1.00 1.00 C +ATOM 962 C ALA A 63 13.364 6.654 -18.383 1.00 1.00 C +ATOM 963 O ALA A 63 14.485 6.841 -17.914 1.00 1.00 O +ATOM 964 CB ALA A 63 12.902 9.103 -17.888 1.00 1.00 C +ATOM 965 H ALA A 63 10.952 7.869 -16.992 1.00 1.00 H +ATOM 966 HA ALA A 63 12.172 7.990 -19.570 1.00 1.00 H +ATOM 967 HB1 ALA A 63 13.002 8.971 -16.811 1.00 1.00 H +ATOM 968 HB2 ALA A 63 13.873 9.344 -18.317 1.00 1.00 H +ATOM 969 HB3 ALA A 63 12.203 9.917 -18.090 1.00 1.00 H +ATOM 970 N SER A 64 12.915 5.481 -18.806 1.00 1.00 N +ATOM 971 CA SER A 64 13.748 4.292 -18.742 1.00 1.00 C +ATOM 972 C SER A 64 14.651 4.353 -17.509 1.00 1.00 C +ATOM 973 O SER A 64 15.796 3.907 -17.553 1.00 1.00 O +ATOM 974 CB SER A 64 14.590 4.141 -20.012 1.00 1.00 C +ATOM 975 OG SER A 64 15.009 2.796 -20.218 1.00 1.00 O +ATOM 976 H SER A 64 12.001 5.337 -19.187 1.00 1.00 H +ATOM 977 HA SER A 64 13.053 3.456 -18.668 1.00 1.00 H +ATOM 978 HB2 SER A 64 14.013 4.477 -20.873 1.00 1.00 H +ATOM 979 HB3 SER A 64 15.466 4.787 -19.944 1.00 1.00 H +ATOM 980 HG SER A 64 15.005 2.299 -19.348 1.00 1.00 H +ATOM 981 N ASP A 65 14.101 4.907 -16.439 1.00 1.00 N +ATOM 982 CA ASP A 65 14.842 5.031 -15.195 1.00 1.00 C +ATOM 983 C ASP A 65 13.899 4.779 -14.018 1.00 1.00 C +ATOM 984 O ASP A 65 14.152 3.902 -13.193 1.00 1.00 O +ATOM 985 CB ASP A 65 15.428 6.436 -15.041 1.00 1.00 C +ATOM 986 CG ASP A 65 16.877 6.588 -15.507 1.00 1.00 C +ATOM 987 OD1 ASP A 65 17.741 5.918 -14.902 1.00 1.00 O +ATOM 988 OD2 ASP A 65 17.089 7.372 -16.458 1.00 1.00 O +ATOM 989 H ASP A 65 13.169 5.268 -16.412 1.00 1.00 H +ATOM 990 HA ASP A 65 15.637 4.288 -15.261 1.00 1.00 H +ATOM 991 HB2 ASP A 65 14.806 7.136 -15.601 1.00 1.00 H +ATOM 992 HB3 ASP A 65 15.367 6.725 -13.992 1.00 1.00 H +ATOM 993 N GLY A 66 12.834 5.564 -13.975 1.00 1.00 N +ATOM 994 CA GLY A 66 11.852 5.437 -12.911 1.00 1.00 C +ATOM 995 C GLY A 66 10.887 6.624 -12.912 1.00 1.00 C +ATOM 996 O GLY A 66 9.700 6.464 -12.629 1.00 1.00 O +ATOM 997 H GLY A 66 12.636 6.275 -14.649 1.00 1.00 H +ATOM 998 HA2 GLY A 66 11.294 4.509 -13.037 1.00 1.00 H +ATOM 999 HA3 GLY A 66 12.360 5.377 -11.949 1.00 1.00 H +ATOM 1000 N LYS A 67 11.431 7.788 -13.232 1.00 1.00 N +ATOM 1001 CA LYS A 67 10.632 9.001 -13.274 1.00 1.00 C +ATOM 1002 C LYS A 67 9.516 8.838 -14.308 1.00 1.00 C +ATOM 1003 O LYS A 67 9.684 8.134 -15.301 1.00 1.00 O +ATOM 1004 CB LYS A 67 11.522 10.221 -13.517 1.00 1.00 C +ATOM 1005 CG LYS A 67 12.868 10.069 -12.805 1.00 1.00 C +ATOM 1006 CD LYS A 67 13.991 9.786 -13.807 1.00 1.00 C +ATOM 1007 CE LYS A 67 15.169 10.740 -13.597 1.00 1.00 C +ATOM 1008 NZ LYS A 67 14.776 12.128 -13.926 1.00 1.00 N +ATOM 1009 H LYS A 67 12.397 7.911 -13.461 1.00 1.00 H +ATOM 1010 HA LYS A 67 10.178 9.127 -12.290 1.00 1.00 H +ATOM 1011 HB2 LYS A 67 11.686 10.349 -14.587 1.00 1.00 H +ATOM 1012 HB3 LYS A 67 11.020 11.121 -13.163 1.00 1.00 H +ATOM 1013 HG2 LYS A 67 13.094 10.979 -12.248 1.00 1.00 H +ATOM 1014 HG3 LYS A 67 12.810 9.258 -12.081 1.00 1.00 H +ATOM 1015 HD2 LYS A 67 14.328 8.755 -13.699 1.00 1.00 H +ATOM 1016 HD3 LYS A 67 13.610 9.891 -14.824 1.00 1.00 H +ATOM 1017 HE2 LYS A 67 15.506 10.687 -12.561 1.00 1.00 H +ATOM 1018 HE3 LYS A 67 16.007 10.435 -14.221 1.00 1.00 H +ATOM 1019 HZ1 LYS A 67 13.899 12.338 -13.495 1.00 1.00 H +ATOM 1020 HZ2 LYS A 67 15.472 12.760 -13.588 1.00 1.00 H +ATOM 1021 HZ3 LYS A 67 14.691 12.224 -14.918 1.00 1.00 H +ATOM 1022 N LEU A 68 8.401 9.500 -14.036 1.00 1.00 N +ATOM 1023 CA LEU A 68 7.258 9.437 -14.931 1.00 1.00 C +ATOM 1024 C LEU A 68 7.176 10.734 -15.738 1.00 1.00 C +ATOM 1025 O LEU A 68 7.001 11.812 -15.174 1.00 1.00 O +ATOM 1026 CB LEU A 68 5.981 9.118 -14.148 1.00 1.00 C +ATOM 1027 CG LEU A 68 5.890 7.710 -13.560 1.00 1.00 C +ATOM 1028 CD1 LEU A 68 5.614 7.761 -12.056 1.00 1.00 C +ATOM 1029 CD2 LEU A 68 4.851 6.871 -14.305 1.00 1.00 C +ATOM 1030 H LEU A 68 8.272 10.071 -13.226 1.00 1.00 H +ATOM 1031 HA LEU A 68 7.428 8.610 -15.620 1.00 1.00 H +ATOM 1032 HB2 LEU A 68 5.890 9.837 -13.334 1.00 1.00 H +ATOM 1033 HB3 LEU A 68 5.127 9.272 -14.807 1.00 1.00 H +ATOM 1034 HG LEU A 68 6.855 7.220 -13.692 1.00 1.00 H +ATOM 1035 HD11 LEU A 68 4.961 8.606 -11.834 1.00 1.00 H +ATOM 1036 HD12 LEU A 68 5.127 6.836 -11.743 1.00 1.00 H +ATOM 1037 HD13 LEU A 68 6.554 7.877 -11.516 1.00 1.00 H +ATOM 1038 HD21 LEU A 68 3.965 7.476 -14.498 1.00 1.00 H +ATOM 1039 HD22 LEU A 68 5.271 6.529 -15.252 1.00 1.00 H +ATOM 1040 HD23 LEU A 68 4.577 6.008 -13.697 1.00 1.00 H +ATOM 1041 N TYR A 69 7.306 10.585 -17.050 1.00 1.00 N +ATOM 1042 CA TYR A 69 7.249 11.730 -17.942 1.00 1.00 C +ATOM 1043 C TYR A 69 6.420 11.415 -19.187 1.00 1.00 C +ATOM 1044 O TYR A 69 6.867 10.680 -20.066 1.00 1.00 O +ATOM 1045 CB TYR A 69 8.694 12.009 -18.363 1.00 1.00 C +ATOM 1046 CG TYR A 69 9.159 11.193 -19.571 1.00 1.00 C +ATOM 1047 CD1 TYR A 69 9.375 9.837 -19.443 1.00 1.00 C +ATOM 1048 CD2 TYR A 69 9.360 11.816 -20.786 1.00 1.00 C +ATOM 1049 CE1 TYR A 69 9.813 9.069 -20.581 1.00 1.00 C +ATOM 1050 CE2 TYR A 69 9.797 11.046 -21.923 1.00 1.00 C +ATOM 1051 CZ TYR A 69 10.003 9.712 -21.764 1.00 1.00 C +ATOM 1052 OH TYR A 69 10.416 8.986 -22.838 1.00 1.00 O +ATOM 1053 H TYR A 69 7.448 9.705 -17.502 1.00 1.00 H +ATOM 1054 HA TYR A 69 6.781 12.555 -17.402 1.00 1.00 H +ATOM 1055 HB2 TYR A 69 8.795 13.071 -18.592 1.00 1.00 H +ATOM 1056 HB3 TYR A 69 9.353 11.801 -17.521 1.00 1.00 H +ATOM 1057 HD1 TYR A 69 9.217 9.347 -18.484 1.00 1.00 H +ATOM 1058 HD2 TYR A 69 9.188 12.887 -20.886 1.00 1.00 H +ATOM 1059 HE1 TYR A 69 9.990 7.997 -20.495 1.00 1.00 H +ATOM 1060 HE2 TYR A 69 9.960 11.524 -22.889 1.00 1.00 H +ATOM 1061 HH TYR A 69 10.938 8.191 -22.532 1.00 1.00 H +ATOM 1062 N VAL A 70 5.225 11.986 -19.224 1.00 1.00 N +ATOM 1063 CA VAL A 70 4.328 11.775 -20.347 1.00 1.00 C +ATOM 1064 C VAL A 70 4.852 12.543 -21.563 1.00 1.00 C +ATOM 1065 O VAL A 70 4.426 12.291 -22.690 1.00 1.00 O +ATOM 1066 CB VAL A 70 2.901 12.169 -19.960 1.00 1.00 C +ATOM 1067 CG1 VAL A 70 1.915 11.821 -21.077 1.00 1.00 C +ATOM 1068 CG2 VAL A 70 2.490 11.512 -18.642 1.00 1.00 C +ATOM 1069 H VAL A 70 4.867 12.583 -18.506 1.00 1.00 H +ATOM 1070 HA VAL A 70 4.333 10.710 -20.576 1.00 1.00 H +ATOM 1071 HB VAL A 70 2.879 13.250 -19.818 1.00 1.00 H +ATOM 1072 HG11 VAL A 70 2.148 10.834 -21.474 1.00 1.00 H +ATOM 1073 HG12 VAL A 70 0.900 11.823 -20.679 1.00 1.00 H +ATOM 1074 HG13 VAL A 70 1.993 12.561 -21.874 1.00 1.00 H +ATOM 1075 HG21 VAL A 70 3.154 10.673 -18.431 1.00 1.00 H +ATOM 1076 HG22 VAL A 70 2.560 12.241 -17.835 1.00 1.00 H +ATOM 1077 HG23 VAL A 70 1.463 11.152 -18.719 1.00 1.00 H +ATOM 1078 N SER A 71 5.765 13.463 -21.293 1.00 1.00 N +ATOM 1079 CA SER A 71 6.350 14.268 -22.351 1.00 1.00 C +ATOM 1080 C SER A 71 7.781 14.662 -21.979 1.00 1.00 C +ATOM 1081 O SER A 71 8.041 15.080 -20.852 1.00 1.00 O +ATOM 1082 CB SER A 71 5.511 15.519 -22.621 1.00 1.00 C +ATOM 1083 OG SER A 71 5.915 16.187 -23.813 1.00 1.00 O +ATOM 1084 H SER A 71 6.105 13.661 -20.375 1.00 1.00 H +ATOM 1085 HA SER A 71 6.346 13.631 -23.236 1.00 1.00 H +ATOM 1086 HB2 SER A 71 4.461 15.239 -22.701 1.00 1.00 H +ATOM 1087 HB3 SER A 71 5.594 16.201 -21.776 1.00 1.00 H +ATOM 1088 HG SER A 71 6.486 16.975 -23.586 1.00 1.00 H +ATOM 1089 N SER A 72 8.674 14.513 -22.947 1.00 1.00 N +ATOM 1090 CA SER A 72 10.071 14.847 -22.735 1.00 1.00 C +ATOM 1091 C SER A 72 10.197 16.294 -22.249 1.00 1.00 C +ATOM 1092 O SER A 72 11.238 16.689 -21.727 1.00 1.00 O +ATOM 1093 CB SER A 72 10.886 14.645 -24.013 1.00 1.00 C +ATOM 1094 OG SER A 72 10.300 15.308 -25.131 1.00 1.00 O +ATOM 1095 H SER A 72 8.455 14.172 -23.861 1.00 1.00 H +ATOM 1096 HA SER A 72 10.421 14.155 -21.969 1.00 1.00 H +ATOM 1097 HB2 SER A 72 11.899 15.020 -23.861 1.00 1.00 H +ATOM 1098 HB3 SER A 72 10.969 13.580 -24.227 1.00 1.00 H +ATOM 1099 HG SER A 72 10.806 15.086 -25.964 1.00 1.00 H +ATOM 1100 N GLU A 73 9.119 17.041 -22.436 1.00 1.00 N +ATOM 1101 CA GLU A 73 9.095 18.434 -22.024 1.00 1.00 C +ATOM 1102 C GLU A 73 8.634 18.548 -20.570 1.00 1.00 C +ATOM 1103 O GLU A 73 8.910 19.546 -19.904 1.00 1.00 O +ATOM 1104 CB GLU A 73 8.203 19.265 -22.949 1.00 1.00 C +ATOM 1105 CG GLU A 73 8.985 20.426 -23.566 1.00 1.00 C +ATOM 1106 CD GLU A 73 8.180 21.098 -24.680 1.00 1.00 C +ATOM 1107 OE1 GLU A 73 7.972 20.428 -25.715 1.00 1.00 O +ATOM 1108 OE2 GLU A 73 7.789 22.268 -24.474 1.00 1.00 O +ATOM 1109 H GLU A 73 8.276 16.711 -22.861 1.00 1.00 H +ATOM 1110 HA GLU A 73 10.125 18.781 -22.114 1.00 1.00 H +ATOM 1111 HB2 GLU A 73 7.803 18.632 -23.740 1.00 1.00 H +ATOM 1112 HB3 GLU A 73 7.353 19.652 -22.389 1.00 1.00 H +ATOM 1113 HG2 GLU A 73 9.225 21.158 -22.796 1.00 1.00 H +ATOM 1114 HG3 GLU A 73 9.931 20.061 -23.966 1.00 1.00 H +ATOM 1115 N SER A 74 7.937 17.516 -20.120 1.00 1.00 N +ATOM 1116 CA SER A 74 7.434 17.488 -18.757 1.00 1.00 C +ATOM 1117 C SER A 74 7.688 16.113 -18.134 1.00 1.00 C +ATOM 1118 O SER A 74 7.014 15.142 -18.470 1.00 1.00 O +ATOM 1119 CB SER A 74 5.942 17.824 -18.713 1.00 1.00 C +ATOM 1120 OG SER A 74 5.711 19.229 -18.732 1.00 1.00 O +ATOM 1121 H SER A 74 7.716 16.709 -20.668 1.00 1.00 H +ATOM 1122 HA SER A 74 7.996 18.257 -18.227 1.00 1.00 H +ATOM 1123 HB2 SER A 74 5.443 17.361 -19.564 1.00 1.00 H +ATOM 1124 HB3 SER A 74 5.501 17.395 -17.813 1.00 1.00 H +ATOM 1125 HG SER A 74 5.995 19.610 -19.611 1.00 1.00 H +ATOM 1126 N ARG A 75 8.663 16.077 -17.237 1.00 1.00 N +ATOM 1127 CA ARG A 75 9.013 14.837 -16.564 1.00 1.00 C +ATOM 1128 C ARG A 75 8.833 14.986 -15.051 1.00 1.00 C +ATOM 1129 O ARG A 75 9.123 16.040 -14.488 1.00 1.00 O +ATOM 1130 CB ARG A 75 10.461 14.440 -16.861 1.00 1.00 C +ATOM 1131 CG ARG A 75 11.086 15.378 -17.895 1.00 1.00 C +ATOM 1132 CD ARG A 75 12.222 14.685 -18.650 1.00 1.00 C +ATOM 1133 NE ARG A 75 13.037 15.688 -19.371 1.00 1.00 N +ATOM 1134 CZ ARG A 75 13.787 15.412 -20.447 1.00 1.00 C +ATOM 1135 NH1 ARG A 75 13.830 14.164 -20.933 1.00 1.00 N +ATOM 1136 NH2 ARG A 75 14.495 16.386 -21.036 1.00 1.00 N +ATOM 1137 H ARG A 75 9.207 16.872 -16.969 1.00 1.00 H +ATOM 1138 HA ARG A 75 8.326 14.095 -16.970 1.00 1.00 H +ATOM 1139 HB2 ARG A 75 11.045 14.465 -15.941 1.00 1.00 H +ATOM 1140 HB3 ARG A 75 10.491 13.415 -17.229 1.00 1.00 H +ATOM 1141 HG2 ARG A 75 10.323 15.708 -18.601 1.00 1.00 H +ATOM 1142 HG3 ARG A 75 11.466 16.271 -17.397 1.00 1.00 H +ATOM 1143 HD2 ARG A 75 12.848 14.129 -17.951 1.00 1.00 H +ATOM 1144 HD3 ARG A 75 11.811 13.961 -19.354 1.00 1.00 H +ATOM 1145 HE ARG A 75 13.027 16.630 -19.035 1.00 1.00 H +ATOM 1146 HH11 ARG A 75 13.303 13.438 -20.492 1.00 1.00 H +ATOM 1147 HH12 ARG A 75 14.390 13.960 -21.734 1.00 1.00 H +ATOM 1148 HH21 ARG A 75 14.462 17.317 -20.675 1.00 1.00 H +ATOM 1149 HH22 ARG A 75 15.054 16.180 -21.840 1.00 1.00 H +ATOM 1150 N PHE A 76 8.355 13.914 -14.437 1.00 1.00 N +ATOM 1151 CA PHE A 76 8.133 13.911 -13.000 1.00 1.00 C +ATOM 1152 C PHE A 76 8.610 12.600 -12.374 1.00 1.00 C +ATOM 1153 O PHE A 76 8.898 11.637 -13.084 1.00 1.00 O +ATOM 1154 CB PHE A 76 6.625 14.050 -12.782 1.00 1.00 C +ATOM 1155 CG PHE A 76 5.977 15.167 -13.599 1.00 1.00 C +ATOM 1156 CD1 PHE A 76 6.230 16.469 -13.294 1.00 1.00 C +ATOM 1157 CD2 PHE A 76 5.146 14.861 -14.633 1.00 1.00 C +ATOM 1158 CE1 PHE A 76 5.630 17.506 -14.054 1.00 1.00 C +ATOM 1159 CE2 PHE A 76 4.546 15.899 -15.392 1.00 1.00 C +ATOM 1160 CZ PHE A 76 4.799 17.201 -15.087 1.00 1.00 C +ATOM 1161 H PHE A 76 8.122 13.060 -14.902 1.00 1.00 H +ATOM 1162 HA PHE A 76 8.704 14.740 -12.584 1.00 1.00 H +ATOM 1163 HB2 PHE A 76 6.144 13.104 -13.033 1.00 1.00 H +ATOM 1164 HB3 PHE A 76 6.437 14.232 -11.724 1.00 1.00 H +ATOM 1165 HD1 PHE A 76 6.896 16.714 -12.467 1.00 1.00 H +ATOM 1166 HD2 PHE A 76 4.943 13.819 -14.878 1.00 1.00 H +ATOM 1167 HE1 PHE A 76 5.832 18.549 -13.808 1.00 1.00 H +ATOM 1168 HE2 PHE A 76 3.880 15.655 -16.221 1.00 1.00 H +ATOM 1169 HZ PHE A 76 4.338 17.997 -15.669 1.00 1.00 H +ATOM 1170 N ASN A 77 8.676 12.603 -11.051 1.00 1.00 N +ATOM 1171 CA ASN A 77 9.112 11.424 -10.321 1.00 1.00 C +ATOM 1172 C ASN A 77 7.901 10.754 -9.671 1.00 1.00 C +ATOM 1173 O ASN A 77 7.911 9.550 -9.423 1.00 1.00 O +ATOM 1174 CB ASN A 77 10.097 11.798 -9.211 1.00 1.00 C +ATOM 1175 CG ASN A 77 11.475 12.131 -9.791 1.00 1.00 C +ATOM 1176 OD1 ASN A 77 12.374 11.306 -9.833 1.00 1.00 O +ATOM 1177 ND2 ASN A 77 11.588 13.379 -10.233 1.00 1.00 N +ATOM 1178 H ASN A 77 8.439 13.390 -10.481 1.00 1.00 H +ATOM 1179 HA ASN A 77 9.592 10.787 -11.065 1.00 1.00 H +ATOM 1180 HB2 ASN A 77 9.717 12.653 -8.656 1.00 1.00 H +ATOM 1181 HB3 ASN A 77 10.186 10.971 -8.506 1.00 1.00 H +ATOM 1182 HD21 ASN A 77 10.811 14.005 -10.170 1.00 1.00 H +ATOM 1183 HD22 ASN A 77 12.451 13.693 -10.629 1.00 1.00 H +ATOM 1184 N THR A 78 6.883 11.564 -9.415 1.00 1.00 N +ATOM 1185 CA THR A 78 5.666 11.065 -8.798 1.00 1.00 C +ATOM 1186 C THR A 78 4.455 11.374 -9.682 1.00 1.00 C +ATOM 1187 O THR A 78 4.350 12.466 -10.236 1.00 1.00 O +ATOM 1188 CB THR A 78 5.565 11.668 -7.396 1.00 1.00 C +ATOM 1189 OG1 THR A 78 4.694 10.780 -6.698 1.00 1.00 O +ATOM 1190 CG2 THR A 78 4.820 13.004 -7.385 1.00 1.00 C +ATOM 1191 H THR A 78 6.883 12.543 -9.621 1.00 1.00 H +ATOM 1192 HA THR A 78 5.739 9.980 -8.725 1.00 1.00 H +ATOM 1193 HB THR A 78 6.551 11.768 -6.944 1.00 1.00 H +ATOM 1194 HG1 THR A 78 3.856 10.640 -7.225 1.00 1.00 H +ATOM 1195 HG21 THR A 78 3.959 12.945 -8.051 1.00 1.00 H +ATOM 1196 HG22 THR A 78 4.483 13.223 -6.372 1.00 1.00 H +ATOM 1197 HG23 THR A 78 5.489 13.796 -7.725 1.00 1.00 H +ATOM 1198 N LEU A 79 3.573 10.391 -9.786 1.00 1.00 N +ATOM 1199 CA LEU A 79 2.375 10.545 -10.592 1.00 1.00 C +ATOM 1200 C LEU A 79 1.694 11.870 -10.241 1.00 1.00 C +ATOM 1201 O LEU A 79 1.019 12.466 -11.079 1.00 1.00 O +ATOM 1202 CB LEU A 79 1.463 9.325 -10.434 1.00 1.00 C +ATOM 1203 CG LEU A 79 0.916 8.724 -11.731 1.00 1.00 C +ATOM 1204 CD1 LEU A 79 0.323 7.336 -11.483 1.00 1.00 C +ATOM 1205 CD2 LEU A 79 -0.088 9.668 -12.393 1.00 1.00 C +ATOM 1206 H LEU A 79 3.667 9.505 -9.332 1.00 1.00 H +ATOM 1207 HA LEU A 79 2.685 10.581 -11.636 1.00 1.00 H +ATOM 1208 HB2 LEU A 79 2.014 8.550 -9.901 1.00 1.00 H +ATOM 1209 HB3 LEU A 79 0.619 9.608 -9.804 1.00 1.00 H +ATOM 1210 HG LEU A 79 1.747 8.599 -12.425 1.00 1.00 H +ATOM 1211 HD11 LEU A 79 0.925 6.809 -10.744 1.00 1.00 H +ATOM 1212 HD12 LEU A 79 -0.697 7.438 -11.113 1.00 1.00 H +ATOM 1213 HD13 LEU A 79 0.315 6.771 -12.417 1.00 1.00 H +ATOM 1214 HD21 LEU A 79 -0.156 10.589 -11.815 1.00 1.00 H +ATOM 1215 HD22 LEU A 79 0.243 9.898 -13.405 1.00 1.00 H +ATOM 1216 HD23 LEU A 79 -1.067 9.189 -12.430 1.00 1.00 H +ATOM 1217 N ALA A 80 1.898 12.292 -9.001 1.00 1.00 N +ATOM 1218 CA ALA A 80 1.314 13.536 -8.530 1.00 1.00 C +ATOM 1219 C ALA A 80 1.704 14.670 -9.480 1.00 1.00 C +ATOM 1220 O ALA A 80 0.876 15.149 -10.254 1.00 1.00 O +ATOM 1221 CB ALA A 80 1.763 13.799 -7.092 1.00 1.00 C +ATOM 1222 H ALA A 80 2.449 11.801 -8.327 1.00 1.00 H +ATOM 1223 HA ALA A 80 0.230 13.420 -8.543 1.00 1.00 H +ATOM 1224 HB1 ALA A 80 1.763 12.862 -6.534 1.00 1.00 H +ATOM 1225 HB2 ALA A 80 2.771 14.218 -7.098 1.00 1.00 H +ATOM 1226 HB3 ALA A 80 1.080 14.504 -6.620 1.00 1.00 H +ATOM 1227 N GLU A 81 2.964 15.068 -9.390 1.00 1.00 N +ATOM 1228 CA GLU A 81 3.474 16.137 -10.231 1.00 1.00 C +ATOM 1229 C GLU A 81 3.004 15.946 -11.676 1.00 1.00 C +ATOM 1230 O GLU A 81 2.912 16.909 -12.434 1.00 1.00 O +ATOM 1231 CB GLU A 81 5.000 16.212 -10.159 1.00 1.00 C +ATOM 1232 CG GLU A 81 5.450 17.388 -9.289 1.00 1.00 C +ATOM 1233 CD GLU A 81 5.011 18.721 -9.899 1.00 1.00 C +ATOM 1234 OE1 GLU A 81 4.941 18.777 -11.146 1.00 1.00 O +ATOM 1235 OE2 GLU A 81 4.756 19.652 -9.105 1.00 1.00 O +ATOM 1236 H GLU A 81 3.631 14.673 -8.759 1.00 1.00 H +ATOM 1237 HA GLU A 81 3.052 17.054 -9.823 1.00 1.00 H +ATOM 1238 HB2 GLU A 81 5.395 15.281 -9.750 1.00 1.00 H +ATOM 1239 HB3 GLU A 81 5.412 16.318 -11.162 1.00 1.00 H +ATOM 1240 HG2 GLU A 81 5.030 17.285 -8.288 1.00 1.00 H +ATOM 1241 HG3 GLU A 81 6.536 17.372 -9.183 1.00 1.00 H +ATOM 1242 N LEU A 82 2.718 14.697 -12.011 1.00 1.00 N +ATOM 1243 CA LEU A 82 2.259 14.368 -13.350 1.00 1.00 C +ATOM 1244 C LEU A 82 0.866 14.965 -13.568 1.00 1.00 C +ATOM 1245 O LEU A 82 0.658 15.734 -14.504 1.00 1.00 O +ATOM 1246 CB LEU A 82 2.323 12.856 -13.581 1.00 1.00 C +ATOM 1247 CG LEU A 82 2.462 12.407 -15.037 1.00 1.00 C +ATOM 1248 CD1 LEU A 82 3.784 11.670 -15.261 1.00 1.00 C +ATOM 1249 CD2 LEU A 82 1.258 11.567 -15.470 1.00 1.00 C +ATOM 1250 H LEU A 82 2.795 13.919 -11.387 1.00 1.00 H +ATOM 1251 HA LEU A 82 2.948 14.831 -14.054 1.00 1.00 H +ATOM 1252 HB2 LEU A 82 3.167 12.458 -13.017 1.00 1.00 H +ATOM 1253 HB3 LEU A 82 1.421 12.406 -13.168 1.00 1.00 H +ATOM 1254 HG LEU A 82 2.478 13.294 -15.670 1.00 1.00 H +ATOM 1255 HD11 LEU A 82 4.274 11.502 -14.301 1.00 1.00 H +ATOM 1256 HD12 LEU A 82 3.589 10.710 -15.740 1.00 1.00 H +ATOM 1257 HD13 LEU A 82 4.431 12.270 -15.899 1.00 1.00 H +ATOM 1258 HD21 LEU A 82 0.343 12.018 -15.081 1.00 1.00 H +ATOM 1259 HD22 LEU A 82 1.212 11.530 -16.558 1.00 1.00 H +ATOM 1260 HD23 LEU A 82 1.360 10.555 -15.074 1.00 1.00 H +ATOM 1261 N VAL A 83 -0.049 14.586 -12.688 1.00 1.00 N +ATOM 1262 CA VAL A 83 -1.414 15.074 -12.774 1.00 1.00 C +ATOM 1263 C VAL A 83 -1.439 16.568 -12.442 1.00 1.00 C +ATOM 1264 O VAL A 83 -2.123 17.343 -13.109 1.00 1.00 O +ATOM 1265 CB VAL A 83 -2.325 14.245 -11.864 1.00 1.00 C +ATOM 1266 CG1 VAL A 83 -3.457 15.101 -11.294 1.00 1.00 C +ATOM 1267 CG2 VAL A 83 -2.876 13.026 -12.605 1.00 1.00 C +ATOM 1268 H VAL A 83 0.130 13.960 -11.930 1.00 1.00 H +ATOM 1269 HA VAL A 83 -1.749 14.937 -13.801 1.00 1.00 H +ATOM 1270 HB VAL A 83 -1.725 13.886 -11.029 1.00 1.00 H +ATOM 1271 HG11 VAL A 83 -3.535 16.026 -11.864 1.00 1.00 H +ATOM 1272 HG12 VAL A 83 -4.397 14.552 -11.364 1.00 1.00 H +ATOM 1273 HG13 VAL A 83 -3.248 15.332 -10.250 1.00 1.00 H +ATOM 1274 HG21 VAL A 83 -2.952 13.251 -13.669 1.00 1.00 H +ATOM 1275 HG22 VAL A 83 -2.208 12.178 -12.459 1.00 1.00 H +ATOM 1276 HG23 VAL A 83 -3.865 12.781 -12.216 1.00 1.00 H +ATOM 1277 N HIS A 84 -0.686 16.926 -11.412 1.00 1.00 N +ATOM 1278 CA HIS A 84 -0.613 18.312 -10.986 1.00 1.00 C +ATOM 1279 C HIS A 84 -0.363 19.211 -12.199 1.00 1.00 C +ATOM 1280 O HIS A 84 -1.085 20.182 -12.416 1.00 1.00 O +ATOM 1281 CB HIS A 84 0.440 18.489 -9.889 1.00 1.00 C +ATOM 1282 CG HIS A 84 -0.114 19.007 -8.584 1.00 1.00 C +ATOM 1283 ND1 HIS A 84 0.676 19.226 -7.470 1.00 1.00 N +ATOM 1284 CD2 HIS A 84 -1.386 19.346 -8.226 1.00 1.00 C +ATOM 1285 CE1 HIS A 84 -0.094 19.677 -6.491 1.00 1.00 C +ATOM 1286 NE2 HIS A 84 -1.373 19.750 -6.963 1.00 1.00 N +ATOM 1287 H HIS A 84 -0.133 16.289 -10.876 1.00 1.00 H +ATOM 1288 HA HIS A 84 -1.585 18.560 -10.557 1.00 1.00 H +ATOM 1289 HB2 HIS A 84 0.928 17.530 -9.712 1.00 1.00 H +ATOM 1290 HB3 HIS A 84 1.208 19.176 -10.245 1.00 1.00 H +ATOM 1291 HD1 HIS A 84 1.664 19.071 -7.411 1.00 1.00 H +ATOM 1292 HD2 HIS A 84 -2.263 19.295 -8.871 1.00 1.00 H +ATOM 1293 HE1 HIS A 84 0.234 19.942 -5.487 1.00 1.00 H +ATOM 1294 N HIS A 85 0.663 18.854 -12.957 1.00 1.00 N +ATOM 1295 CA HIS A 85 1.018 19.616 -14.143 1.00 1.00 C +ATOM 1296 C HIS A 85 -0.009 19.356 -15.246 1.00 1.00 C +ATOM 1297 O HIS A 85 -0.404 20.277 -15.961 1.00 1.00 O +ATOM 1298 CB HIS A 85 2.450 19.303 -14.581 1.00 1.00 C +ATOM 1299 CG HIS A 85 2.793 19.803 -15.964 1.00 1.00 C +ATOM 1300 ND1 HIS A 85 2.886 21.149 -16.273 1.00 1.00 N +ATOM 1301 CD2 HIS A 85 3.064 19.123 -17.115 1.00 1.00 C +ATOM 1302 CE1 HIS A 85 3.198 21.262 -17.556 1.00 1.00 C +ATOM 1303 NE2 HIS A 85 3.308 20.006 -18.076 1.00 1.00 N +ATOM 1304 H HIS A 85 1.247 18.062 -12.774 1.00 1.00 H +ATOM 1305 HA HIS A 85 0.979 20.668 -13.861 1.00 1.00 H +ATOM 1306 HB2 HIS A 85 3.144 19.745 -13.864 1.00 1.00 H +ATOM 1307 HB3 HIS A 85 2.603 18.224 -14.547 1.00 1.00 H +ATOM 1308 HD1 HIS A 85 2.741 21.905 -15.637 1.00 1.00 H +ATOM 1309 HD2 HIS A 85 3.078 18.040 -17.226 1.00 1.00 H +ATOM 1310 HE1 HIS A 85 3.343 22.196 -18.100 1.00 1.00 H +ATOM 1311 N HIS A 86 -0.412 18.099 -15.350 1.00 1.00 N +ATOM 1312 CA HIS A 86 -1.387 17.706 -16.355 1.00 1.00 C +ATOM 1313 C HIS A 86 -2.785 18.139 -15.910 1.00 1.00 C +ATOM 1314 O HIS A 86 -3.781 17.751 -16.518 1.00 1.00 O +ATOM 1315 CB HIS A 86 -1.294 16.207 -16.644 1.00 1.00 C +ATOM 1316 CG HIS A 86 -0.010 15.789 -17.319 1.00 1.00 C +ATOM 1317 ND1 HIS A 86 0.646 16.585 -18.241 1.00 1.00 N +ATOM 1318 CD2 HIS A 86 0.735 14.653 -17.193 1.00 1.00 C +ATOM 1319 CE1 HIS A 86 1.733 15.946 -18.648 1.00 1.00 C +ATOM 1320 NE2 HIS A 86 1.786 14.748 -17.997 1.00 1.00 N +ATOM 1321 H HIS A 86 -0.087 17.357 -14.765 1.00 1.00 H +ATOM 1322 HA HIS A 86 -1.124 18.238 -17.268 1.00 1.00 H +ATOM 1323 HB2 HIS A 86 -1.396 15.658 -15.707 1.00 1.00 H +ATOM 1324 HB3 HIS A 86 -2.134 15.916 -17.276 1.00 1.00 H +ATOM 1325 HD1 HIS A 86 0.349 17.489 -18.550 1.00 1.00 H +ATOM 1326 HD2 HIS A 86 0.504 13.809 -16.542 1.00 1.00 H +ATOM 1327 HE1 HIS A 86 2.459 16.313 -19.374 1.00 1.00 H +ATOM 1328 N SER A 87 -2.814 18.938 -14.854 1.00 1.00 N +ATOM 1329 CA SER A 87 -4.075 19.428 -14.321 1.00 1.00 C +ATOM 1330 C SER A 87 -4.399 20.797 -14.922 1.00 1.00 C +ATOM 1331 O SER A 87 -5.567 21.165 -15.042 1.00 1.00 O +ATOM 1332 CB SER A 87 -4.029 19.517 -12.795 1.00 1.00 C +ATOM 1333 OG SER A 87 -5.286 19.905 -12.245 1.00 1.00 O +ATOM 1334 H SER A 87 -1.999 19.249 -14.365 1.00 1.00 H +ATOM 1335 HA SER A 87 -4.820 18.692 -14.620 1.00 1.00 H +ATOM 1336 HB2 SER A 87 -3.737 18.550 -12.383 1.00 1.00 H +ATOM 1337 HB3 SER A 87 -3.265 20.235 -12.494 1.00 1.00 H +ATOM 1338 HG SER A 87 -5.568 20.785 -12.625 1.00 1.00 H +ATOM 1339 N THR A 88 -3.346 21.515 -15.285 1.00 1.00 N +ATOM 1340 CA THR A 88 -3.506 22.834 -15.872 1.00 1.00 C +ATOM 1341 C THR A 88 -2.903 22.870 -17.278 1.00 1.00 C +ATOM 1342 O THR A 88 -3.418 23.554 -18.160 1.00 1.00 O +ATOM 1343 CB THR A 88 -2.880 23.853 -14.917 1.00 1.00 C +ATOM 1344 OG1 THR A 88 -1.531 23.417 -14.778 1.00 1.00 O +ATOM 1345 CG2 THR A 88 -3.451 23.757 -13.501 1.00 1.00 C +ATOM 1346 H THR A 88 -2.399 21.207 -15.185 1.00 1.00 H +ATOM 1347 HA THR A 88 -4.571 23.038 -15.975 1.00 1.00 H +ATOM 1348 HB THR A 88 -2.979 24.866 -15.309 1.00 1.00 H +ATOM 1349 HG1 THR A 88 -1.477 22.682 -14.100 1.00 1.00 H +ATOM 1350 HG21 THR A 88 -4.348 23.139 -13.512 1.00 1.00 H +ATOM 1351 HG22 THR A 88 -2.710 23.310 -12.840 1.00 1.00 H +ATOM 1352 HG23 THR A 88 -3.703 24.755 -13.142 1.00 1.00 H +ATOM 1353 N VAL A 89 -1.821 22.124 -17.442 1.00 1.00 N +ATOM 1354 CA VAL A 89 -1.143 22.061 -18.727 1.00 1.00 C +ATOM 1355 C VAL A 89 -0.848 20.600 -19.071 1.00 1.00 C +ATOM 1356 O VAL A 89 0.241 20.100 -18.792 1.00 1.00 O +ATOM 1357 CB VAL A 89 0.112 22.934 -18.698 1.00 1.00 C +ATOM 1358 CG1 VAL A 89 1.096 22.515 -19.793 1.00 1.00 C +ATOM 1359 CG2 VAL A 89 -0.248 24.416 -18.823 1.00 1.00 C +ATOM 1360 H VAL A 89 -1.408 21.569 -16.718 1.00 1.00 H +ATOM 1361 HA VAL A 89 -1.821 22.467 -19.476 1.00 1.00 H +ATOM 1362 HB VAL A 89 0.601 22.788 -17.735 1.00 1.00 H +ATOM 1363 HG11 VAL A 89 0.560 21.984 -20.579 1.00 1.00 H +ATOM 1364 HG12 VAL A 89 1.571 23.402 -20.213 1.00 1.00 H +ATOM 1365 HG13 VAL A 89 1.857 21.862 -19.367 1.00 1.00 H +ATOM 1366 HG21 VAL A 89 -1.328 24.519 -18.927 1.00 1.00 H +ATOM 1367 HG22 VAL A 89 0.083 24.947 -17.930 1.00 1.00 H +ATOM 1368 HG23 VAL A 89 0.245 24.837 -19.699 1.00 1.00 H +ATOM 1369 N ALA A 90 -1.836 19.954 -19.673 1.00 1.00 N +ATOM 1370 CA ALA A 90 -1.695 18.561 -20.057 1.00 1.00 C +ATOM 1371 C ALA A 90 -0.687 18.452 -21.204 1.00 1.00 C +ATOM 1372 O ALA A 90 -1.050 18.099 -22.324 1.00 1.00 O +ATOM 1373 CB ALA A 90 -3.066 17.994 -20.433 1.00 1.00 C +ATOM 1374 H ALA A 90 -2.719 20.368 -19.897 1.00 1.00 H +ATOM 1375 HA ALA A 90 -1.314 18.014 -19.195 1.00 1.00 H +ATOM 1376 HB1 ALA A 90 -3.748 18.813 -20.659 1.00 1.00 H +ATOM 1377 HB2 ALA A 90 -2.967 17.351 -21.308 1.00 1.00 H +ATOM 1378 HB3 ALA A 90 -3.459 17.413 -19.599 1.00 1.00 H +ATOM 1379 N ASP A 91 0.561 18.763 -20.882 1.00 1.00 N +ATOM 1380 CA ASP A 91 1.624 18.705 -21.870 1.00 1.00 C +ATOM 1381 C ASP A 91 2.077 17.253 -22.041 1.00 1.00 C +ATOM 1382 O ASP A 91 3.214 16.997 -22.436 1.00 1.00 O +ATOM 1383 CB ASP A 91 2.835 19.528 -21.425 1.00 1.00 C +ATOM 1384 CG ASP A 91 3.105 20.784 -22.258 1.00 1.00 C +ATOM 1385 OD1 ASP A 91 2.356 21.765 -22.062 1.00 1.00 O +ATOM 1386 OD2 ASP A 91 4.052 20.733 -23.071 1.00 1.00 O +ATOM 1387 H ASP A 91 0.848 19.050 -19.968 1.00 1.00 H +ATOM 1388 HA ASP A 91 1.192 19.117 -22.782 1.00 1.00 H +ATOM 1389 HB2 ASP A 91 2.691 19.824 -20.387 1.00 1.00 H +ATOM 1390 HB3 ASP A 91 3.720 18.893 -21.457 1.00 1.00 H +ATOM 1391 N GLY A 92 1.166 16.342 -21.734 1.00 1.00 N +ATOM 1392 CA GLY A 92 1.457 14.924 -21.849 1.00 1.00 C +ATOM 1393 C GLY A 92 0.186 14.125 -22.146 1.00 1.00 C +ATOM 1394 O GLY A 92 0.044 13.557 -23.227 1.00 1.00 O +ATOM 1395 H GLY A 92 0.243 16.559 -21.414 1.00 1.00 H +ATOM 1396 HA2 GLY A 92 2.187 14.762 -22.642 1.00 1.00 H +ATOM 1397 HA3 GLY A 92 1.907 14.566 -20.923 1.00 1.00 H +ATOM 1398 N LEU A 93 -0.706 14.108 -21.167 1.00 1.00 N +ATOM 1399 CA LEU A 93 -1.961 13.388 -21.309 1.00 1.00 C +ATOM 1400 C LEU A 93 -2.887 14.169 -22.243 1.00 1.00 C +ATOM 1401 O LEU A 93 -2.921 15.399 -22.204 1.00 1.00 O +ATOM 1402 CB LEU A 93 -2.571 13.098 -19.937 1.00 1.00 C +ATOM 1403 CG LEU A 93 -1.693 13.430 -18.728 1.00 1.00 C +ATOM 1404 CD1 LEU A 93 -2.450 13.193 -17.420 1.00 1.00 C +ATOM 1405 CD2 LEU A 93 -0.377 12.653 -18.778 1.00 1.00 C +ATOM 1406 H LEU A 93 -0.584 14.573 -20.290 1.00 1.00 H +ATOM 1407 HA LEU A 93 -1.735 12.427 -21.772 1.00 1.00 H +ATOM 1408 HB2 LEU A 93 -3.501 13.659 -19.850 1.00 1.00 H +ATOM 1409 HB3 LEU A 93 -2.831 12.041 -19.892 1.00 1.00 H +ATOM 1410 HG LEU A 93 -1.444 14.490 -18.768 1.00 1.00 H +ATOM 1411 HD11 LEU A 93 -3.523 13.253 -17.605 1.00 1.00 H +ATOM 1412 HD12 LEU A 93 -2.203 12.206 -17.030 1.00 1.00 H +ATOM 1413 HD13 LEU A 93 -2.164 13.953 -16.692 1.00 1.00 H +ATOM 1414 HD21 LEU A 93 -0.515 11.739 -19.356 1.00 1.00 H +ATOM 1415 HD22 LEU A 93 0.390 13.269 -19.247 1.00 1.00 H +ATOM 1416 HD23 LEU A 93 -0.067 12.398 -17.764 1.00 1.00 H +ATOM 1417 N ILE A 94 -3.617 13.424 -23.060 1.00 1.00 N +ATOM 1418 CA ILE A 94 -4.544 14.031 -24.001 1.00 1.00 C +ATOM 1419 C ILE A 94 -5.343 15.124 -23.290 1.00 1.00 C +ATOM 1420 O ILE A 94 -5.019 16.306 -23.400 1.00 1.00 O +ATOM 1421 CB ILE A 94 -5.415 12.960 -24.661 1.00 1.00 C +ATOM 1422 CG1 ILE A 94 -6.666 13.582 -25.287 1.00 1.00 C +ATOM 1423 CG2 ILE A 94 -5.764 11.849 -23.669 1.00 1.00 C +ATOM 1424 CD1 ILE A 94 -6.991 12.924 -26.629 1.00 1.00 C +ATOM 1425 H ILE A 94 -3.585 12.424 -23.084 1.00 1.00 H +ATOM 1426 HA ILE A 94 -3.950 14.494 -24.789 1.00 1.00 H +ATOM 1427 HB ILE A 94 -4.843 12.504 -25.468 1.00 1.00 H +ATOM 1428 HG12 ILE A 94 -7.512 13.469 -24.608 1.00 1.00 H +ATOM 1429 HG13 ILE A 94 -6.512 14.652 -25.430 1.00 1.00 H +ATOM 1430 HG21 ILE A 94 -5.502 12.167 -22.659 1.00 1.00 H +ATOM 1431 HG22 ILE A 94 -6.832 11.639 -23.718 1.00 1.00 H +ATOM 1432 HG23 ILE A 94 -5.204 10.948 -23.922 1.00 1.00 H +ATOM 1433 HD11 ILE A 94 -6.782 11.856 -26.570 1.00 1.00 H +ATOM 1434 HD12 ILE A 94 -8.045 13.077 -26.863 1.00 1.00 H +ATOM 1435 HD13 ILE A 94 -6.376 13.371 -27.411 1.00 1.00 H +ATOM 1436 N THR A 95 -6.373 14.691 -22.577 1.00 1.00 N +ATOM 1437 CA THR A 95 -7.221 15.618 -21.849 1.00 1.00 C +ATOM 1438 C THR A 95 -6.531 16.075 -20.563 1.00 1.00 C +ATOM 1439 O THR A 95 -5.417 15.648 -20.266 1.00 1.00 O +ATOM 1440 CB THR A 95 -8.569 14.935 -21.605 1.00 1.00 C +ATOM 1441 OG1 THR A 95 -9.229 15.789 -20.675 1.00 1.00 O +ATOM 1442 CG2 THR A 95 -8.426 13.609 -20.857 1.00 1.00 C +ATOM 1443 H THR A 95 -6.629 13.728 -22.493 1.00 1.00 H +ATOM 1444 HA THR A 95 -7.369 16.505 -22.465 1.00 1.00 H +ATOM 1445 HB THR A 95 -9.110 14.797 -22.541 1.00 1.00 H +ATOM 1446 HG1 THR A 95 -8.975 15.539 -19.742 1.00 1.00 H +ATOM 1447 HG21 THR A 95 -7.608 13.683 -20.139 1.00 1.00 H +ATOM 1448 HG22 THR A 95 -9.354 13.387 -20.328 1.00 1.00 H +ATOM 1449 HG23 THR A 95 -8.214 12.810 -21.568 1.00 1.00 H +ATOM 1450 N THR A 96 -7.223 16.939 -19.832 1.00 1.00 N +ATOM 1451 CA THR A 96 -6.689 17.457 -18.584 1.00 1.00 C +ATOM 1452 C THR A 96 -7.603 17.080 -17.416 1.00 1.00 C +ATOM 1453 O THR A 96 -8.755 17.508 -17.360 1.00 1.00 O +ATOM 1454 CB THR A 96 -6.500 18.967 -18.742 1.00 1.00 C +ATOM 1455 OG1 THR A 96 -7.719 19.523 -18.258 1.00 1.00 O +ATOM 1456 CG2 THR A 96 -6.449 19.400 -20.209 1.00 1.00 C +ATOM 1457 H THR A 96 -8.128 17.281 -20.079 1.00 1.00 H +ATOM 1458 HA THR A 96 -5.725 16.987 -18.400 1.00 1.00 H +ATOM 1459 HB THR A 96 -5.614 19.306 -18.206 1.00 1.00 H +ATOM 1460 HG1 THR A 96 -7.535 20.377 -17.772 1.00 1.00 H +ATOM 1461 HG21 THR A 96 -5.724 18.787 -20.744 1.00 1.00 H +ATOM 1462 HG22 THR A 96 -7.434 19.272 -20.660 1.00 1.00 H +ATOM 1463 HG23 THR A 96 -6.156 20.447 -20.270 1.00 1.00 H +ATOM 1464 N LEU A 97 -7.054 16.282 -16.511 1.00 1.00 N +ATOM 1465 CA LEU A 97 -7.804 15.842 -15.347 1.00 1.00 C +ATOM 1466 C LEU A 97 -8.829 16.914 -14.972 1.00 1.00 C +ATOM 1467 O LEU A 97 -8.557 18.107 -15.094 1.00 1.00 O +ATOM 1468 CB LEU A 97 -6.856 15.471 -14.206 1.00 1.00 C +ATOM 1469 CG LEU A 97 -5.692 14.548 -14.574 1.00 1.00 C +ATOM 1470 CD1 LEU A 97 -4.361 15.302 -14.544 1.00 1.00 C +ATOM 1471 CD2 LEU A 97 -5.670 13.309 -13.676 1.00 1.00 C +ATOM 1472 H LEU A 97 -6.116 15.939 -16.564 1.00 1.00 H +ATOM 1473 HA LEU A 97 -8.339 14.936 -15.628 1.00 1.00 H +ATOM 1474 HB2 LEU A 97 -6.444 16.391 -13.789 1.00 1.00 H +ATOM 1475 HB3 LEU A 97 -7.436 14.994 -13.418 1.00 1.00 H +ATOM 1476 HG LEU A 97 -5.841 14.201 -15.597 1.00 1.00 H +ATOM 1477 HD11 LEU A 97 -4.543 16.365 -14.705 1.00 1.00 H +ATOM 1478 HD12 LEU A 97 -3.885 15.158 -13.574 1.00 1.00 H +ATOM 1479 HD13 LEU A 97 -3.710 14.922 -15.329 1.00 1.00 H +ATOM 1480 HD21 LEU A 97 -5.590 13.619 -12.633 1.00 1.00 H +ATOM 1481 HD22 LEU A 97 -6.589 12.742 -13.817 1.00 1.00 H +ATOM 1482 HD23 LEU A 97 -4.814 12.687 -13.936 1.00 1.00 H +ATOM 1483 N HIS A 98 -9.985 16.450 -14.520 1.00 1.00 N +ATOM 1484 CA HIS A 98 -11.051 17.355 -14.125 1.00 1.00 C +ATOM 1485 C HIS A 98 -11.451 17.076 -12.675 1.00 1.00 C +ATOM 1486 O HIS A 98 -11.537 17.995 -11.863 1.00 1.00 O +ATOM 1487 CB HIS A 98 -12.231 17.258 -15.094 1.00 1.00 C +ATOM 1488 CG HIS A 98 -13.322 16.316 -14.643 1.00 1.00 C +ATOM 1489 ND1 HIS A 98 -13.152 14.943 -14.586 1.00 1.00 N +ATOM 1490 CD2 HIS A 98 -14.597 16.562 -14.226 1.00 1.00 C +ATOM 1491 CE1 HIS A 98 -14.279 14.399 -14.155 1.00 1.00 C +ATOM 1492 NE2 HIS A 98 -15.174 15.404 -13.933 1.00 1.00 N +ATOM 1493 H HIS A 98 -10.198 15.478 -14.423 1.00 1.00 H +ATOM 1494 HA HIS A 98 -10.646 18.364 -14.193 1.00 1.00 H +ATOM 1495 HB2 HIS A 98 -12.658 18.252 -15.230 1.00 1.00 H +ATOM 1496 HB3 HIS A 98 -11.864 16.932 -16.067 1.00 1.00 H +ATOM 1497 HD1 HIS A 98 -12.318 14.448 -14.830 1.00 1.00 H +ATOM 1498 HD2 HIS A 98 -15.062 17.545 -14.147 1.00 1.00 H +ATOM 1499 HE1 HIS A 98 -14.460 13.335 -14.004 1.00 1.00 H +ATOM 1500 N TYR A 99 -11.683 15.801 -12.393 1.00 1.00 N +ATOM 1501 CA TYR A 99 -12.071 15.389 -11.055 1.00 1.00 C +ATOM 1502 C TYR A 99 -11.575 13.974 -10.752 1.00 1.00 C +ATOM 1503 O TYR A 99 -12.074 13.002 -11.319 1.00 1.00 O +ATOM 1504 CB TYR A 99 -13.600 15.395 -11.040 1.00 1.00 C +ATOM 1505 CG TYR A 99 -14.225 14.031 -10.740 1.00 1.00 C +ATOM 1506 CD1 TYR A 99 -14.089 12.996 -11.644 1.00 1.00 C +ATOM 1507 CD2 TYR A 99 -14.926 13.834 -9.568 1.00 1.00 C +ATOM 1508 CE1 TYR A 99 -14.677 11.713 -11.364 1.00 1.00 C +ATOM 1509 CE2 TYR A 99 -15.514 12.550 -9.287 1.00 1.00 C +ATOM 1510 CZ TYR A 99 -15.360 11.553 -10.198 1.00 1.00 C +ATOM 1511 OH TYR A 99 -15.915 10.340 -9.933 1.00 1.00 O +ATOM 1512 H TYR A 99 -11.610 15.059 -13.060 1.00 1.00 H +ATOM 1513 HA TYR A 99 -11.620 16.082 -10.346 1.00 1.00 H +ATOM 1514 HB2 TYR A 99 -13.942 16.112 -10.293 1.00 1.00 H +ATOM 1515 HB3 TYR A 99 -13.963 15.746 -12.005 1.00 1.00 H +ATOM 1516 HD1 TYR A 99 -13.536 13.152 -12.571 1.00 1.00 H +ATOM 1517 HD2 TYR A 99 -15.033 14.651 -8.854 1.00 1.00 H +ATOM 1518 HE1 TYR A 99 -14.577 10.888 -12.068 1.00 1.00 H +ATOM 1519 HE2 TYR A 99 -16.070 12.381 -8.364 1.00 1.00 H +ATOM 1520 HH TYR A 99 -15.433 9.626 -10.438 1.00 1.00 H +ATOM 1521 N PRO A 100 -10.573 13.899 -9.836 1.00 1.00 N +ATOM 1522 CA PRO A 100 -10.006 12.618 -9.451 1.00 1.00 C +ATOM 1523 C PRO A 100 -10.954 11.852 -8.526 1.00 1.00 C +ATOM 1524 O PRO A 100 -10.925 12.035 -7.311 1.00 1.00 O +ATOM 1525 CB PRO A 100 -8.679 12.959 -8.791 1.00 1.00 C +ATOM 1526 CG PRO A 100 -8.768 14.429 -8.412 1.00 1.00 C +ATOM 1527 CD PRO A 100 -9.958 15.028 -9.143 1.00 1.00 C +ATOM 1528 HA PRO A 100 -9.880 12.038 -10.256 1.00 1.00 H +ATOM 1529 HB2 PRO A 100 -8.512 12.339 -7.909 1.00 1.00 H +ATOM 1530 HB3 PRO A 100 -7.847 12.779 -9.470 1.00 1.00 H +ATOM 1531 HG2 PRO A 100 -8.887 14.540 -7.334 1.00 1.00 H +ATOM 1532 HG3 PRO A 100 -7.849 14.950 -8.687 1.00 1.00 H +ATOM 1533 HD2 PRO A 100 -10.656 15.495 -8.450 1.00 1.00 H +ATOM 1534 HD3 PRO A 100 -9.644 15.799 -9.847 1.00 1.00 H +ATOM 1535 N ALA A 101 -11.774 11.011 -9.140 1.00 1.00 N +ATOM 1536 CA ALA A 101 -12.730 10.215 -8.387 1.00 1.00 C +ATOM 1537 C ALA A 101 -12.028 9.590 -7.180 1.00 1.00 C +ATOM 1538 O ALA A 101 -11.231 8.666 -7.333 1.00 1.00 O +ATOM 1539 CB ALA A 101 -13.357 9.167 -9.308 1.00 1.00 C +ATOM 1540 H ALA A 101 -11.791 10.867 -10.129 1.00 1.00 H +ATOM 1541 HA ALA A 101 -13.513 10.886 -8.034 1.00 1.00 H +ATOM 1542 HB1 ALA A 101 -13.364 9.539 -10.331 1.00 1.00 H +ATOM 1543 HB2 ALA A 101 -12.775 8.246 -9.258 1.00 1.00 H +ATOM 1544 HB3 ALA A 101 -14.380 8.967 -8.987 1.00 1.00 H +ATOM 1545 N PRO A 102 -12.360 10.129 -5.978 1.00 1.00 N +ATOM 1546 CA PRO A 102 -11.771 9.633 -4.747 1.00 1.00 C +ATOM 1547 C PRO A 102 -12.383 8.289 -4.349 1.00 1.00 C +ATOM 1548 O PRO A 102 -13.540 8.013 -4.660 1.00 1.00 O +ATOM 1549 CB PRO A 102 -12.025 10.726 -3.721 1.00 1.00 C +ATOM 1550 CG PRO A 102 -13.143 11.582 -4.291 1.00 1.00 C +ATOM 1551 CD PRO A 102 -13.303 11.224 -5.759 1.00 1.00 C +ATOM 1552 HA PRO A 102 -10.794 9.463 -4.872 1.00 1.00 H +ATOM 1553 HB2 PRO A 102 -12.310 10.301 -2.759 1.00 1.00 H +ATOM 1554 HB3 PRO A 102 -11.125 11.319 -3.552 1.00 1.00 H +ATOM 1555 HG2 PRO A 102 -14.075 11.402 -3.752 1.00 1.00 H +ATOM 1556 HG3 PRO A 102 -12.910 12.641 -4.180 1.00 1.00 H +ATOM 1557 HD2 PRO A 102 -14.323 10.918 -5.985 1.00 1.00 H +ATOM 1558 HD3 PRO A 102 -13.075 12.075 -6.402 1.00 1.00 H +ATOM 1559 N LYS A 103 -11.577 7.486 -3.668 1.00 1.00 N +ATOM 1560 CA LYS A 103 -12.025 6.177 -3.226 1.00 1.00 C +ATOM 1561 C LYS A 103 -13.037 6.345 -2.091 1.00 1.00 C +ATOM 1562 O LYS A 103 -12.668 6.693 -0.971 1.00 1.00 O +ATOM 1563 CB LYS A 103 -10.828 5.298 -2.856 1.00 1.00 C +ATOM 1564 CG LYS A 103 -10.215 4.653 -4.100 1.00 1.00 C +ATOM 1565 CD LYS A 103 -11.113 3.537 -4.638 1.00 1.00 C +ATOM 1566 CE LYS A 103 -10.667 2.173 -4.109 1.00 1.00 C +ATOM 1567 NZ LYS A 103 -11.773 1.193 -4.202 1.00 1.00 N +ATOM 1568 H LYS A 103 -10.637 7.718 -3.420 1.00 1.00 H +ATOM 1569 HA LYS A 103 -12.525 5.701 -4.069 1.00 1.00 H +ATOM 1570 HB2 LYS A 103 -10.074 5.899 -2.345 1.00 1.00 H +ATOM 1571 HB3 LYS A 103 -11.143 4.523 -2.158 1.00 1.00 H +ATOM 1572 HG2 LYS A 103 -10.070 5.410 -4.872 1.00 1.00 H +ATOM 1573 HG3 LYS A 103 -9.232 4.251 -3.860 1.00 1.00 H +ATOM 1574 HD2 LYS A 103 -12.146 3.724 -4.346 1.00 1.00 H +ATOM 1575 HD3 LYS A 103 -11.085 3.535 -5.728 1.00 1.00 H +ATOM 1576 HE2 LYS A 103 -9.809 1.818 -4.679 1.00 1.00 H +ATOM 1577 HE3 LYS A 103 -10.343 2.266 -3.072 1.00 1.00 H +ATOM 1578 HZ1 LYS A 103 -12.647 1.677 -4.208 1.00 1.00 H +ATOM 1579 HZ2 LYS A 103 -11.679 0.663 -5.045 1.00 1.00 H +ATOM 1580 HZ3 LYS A 103 -11.739 0.577 -3.415 1.00 1.00 H +ATOM 1581 N ARG A 104 -14.295 6.089 -2.421 1.00 1.00 N +ATOM 1582 CA ARG A 104 -15.364 6.207 -1.443 1.00 1.00 C +ATOM 1583 C ARG A 104 -15.724 4.831 -0.881 1.00 1.00 C +ATOM 1584 O ARG A 104 -15.679 4.621 0.330 1.00 1.00 O +ATOM 1585 CB ARG A 104 -16.612 6.839 -2.067 1.00 1.00 C +ATOM 1586 CG ARG A 104 -16.850 8.244 -1.511 1.00 1.00 C +ATOM 1587 CD ARG A 104 -17.405 9.172 -2.592 1.00 1.00 C +ATOM 1588 NE ARG A 104 -17.213 10.586 -2.193 1.00 1.00 N +ATOM 1589 CZ ARG A 104 -17.911 11.194 -1.224 1.00 1.00 C +ATOM 1590 NH1 ARG A 104 -18.851 10.519 -0.550 1.00 1.00 N +ATOM 1591 NH2 ARG A 104 -17.668 12.479 -0.931 1.00 1.00 N +ATOM 1592 H ARG A 104 -14.588 5.806 -3.335 1.00 1.00 H +ATOM 1593 HA ARG A 104 -14.960 6.857 -0.666 1.00 1.00 H +ATOM 1594 HB2 ARG A 104 -16.497 6.886 -3.149 1.00 1.00 H +ATOM 1595 HB3 ARG A 104 -17.479 6.210 -1.864 1.00 1.00 H +ATOM 1596 HG2 ARG A 104 -17.548 8.195 -0.675 1.00 1.00 H +ATOM 1597 HG3 ARG A 104 -15.915 8.648 -1.122 1.00 1.00 H +ATOM 1598 HD2 ARG A 104 -16.903 8.984 -3.539 1.00 1.00 H +ATOM 1599 HD3 ARG A 104 -18.465 8.972 -2.747 1.00 1.00 H +ATOM 1600 HE ARG A 104 -16.519 11.118 -2.677 1.00 1.00 H +ATOM 1601 HH11 ARG A 104 -19.032 9.560 -0.770 1.00 1.00 H +ATOM 1602 HH12 ARG A 104 -19.372 10.972 0.173 1.00 1.00 H +ATOM 1603 HH21 ARG A 104 -16.966 12.983 -1.433 1.00 1.00 H +ATOM 1604 HH22 ARG A 104 -18.189 12.932 -0.208 1.00 1.00 H +ATOM 1605 N GLY A 105 -16.073 3.929 -1.786 1.00 1.00 N +ATOM 1606 CA GLY A 105 -16.439 2.578 -1.395 1.00 1.00 C +ATOM 1607 C GLY A 105 -17.831 2.551 -0.759 1.00 1.00 C +ATOM 1608 O GLY A 105 -18.834 2.759 -1.440 1.00 1.00 O +ATOM 1609 H GLY A 105 -16.107 4.108 -2.769 1.00 1.00 H +ATOM 1610 HA2 GLY A 105 -16.422 1.926 -2.268 1.00 1.00 H +ATOM 1611 HA3 GLY A 105 -15.706 2.189 -0.690 1.00 1.00 H +ATOM 1612 N ILE A 106 -17.847 2.294 0.541 1.00 1.00 N +ATOM 1613 CA ILE A 106 -19.099 2.237 1.277 1.00 1.00 C +ATOM 1614 C ILE A 106 -19.132 3.369 2.306 1.00 1.00 C +ATOM 1615 O ILE A 106 -18.086 3.851 2.738 1.00 1.00 O +ATOM 1616 CB ILE A 106 -19.300 0.848 1.884 1.00 1.00 C +ATOM 1617 CG1 ILE A 106 -20.763 0.625 2.270 1.00 1.00 C +ATOM 1618 CG2 ILE A 106 -18.355 0.624 3.066 1.00 1.00 C +ATOM 1619 CD1 ILE A 106 -21.631 0.410 1.029 1.00 1.00 C +ATOM 1620 H ILE A 106 -17.027 2.128 1.088 1.00 1.00 H +ATOM 1621 HA ILE A 106 -19.906 2.397 0.561 1.00 1.00 H +ATOM 1622 HB ILE A 106 -19.050 0.105 1.127 1.00 1.00 H +ATOM 1623 HG12 ILE A 106 -20.843 -0.241 2.927 1.00 1.00 H +ATOM 1624 HG13 ILE A 106 -21.130 1.486 2.831 1.00 1.00 H +ATOM 1625 HG21 ILE A 106 -17.969 1.584 3.411 1.00 1.00 H +ATOM 1626 HG22 ILE A 106 -18.898 0.139 3.878 1.00 1.00 H +ATOM 1627 HG23 ILE A 106 -17.525 -0.010 2.753 1.00 1.00 H +ATOM 1628 HD11 ILE A 106 -20.997 0.376 0.144 1.00 1.00 H +ATOM 1629 HD12 ILE A 106 -22.175 -0.530 1.123 1.00 1.00 H +ATOM 1630 HD13 ILE A 106 -22.341 1.233 0.935 1.00 1.00 H +ATOM 1631 N HIS A 107 -20.346 3.761 2.669 1.00 1.00 N +ATOM 1632 CA HIS A 107 -20.529 4.827 3.638 1.00 1.00 C +ATOM 1633 C HIS A 107 -21.905 4.694 4.293 1.00 1.00 C +ATOM 1634 O HIS A 107 -22.894 5.212 3.776 1.00 1.00 O +ATOM 1635 CB HIS A 107 -20.309 6.195 2.990 1.00 1.00 C +ATOM 1636 CG HIS A 107 -21.349 6.558 1.957 1.00 1.00 C +ATOM 1637 ND1 HIS A 107 -21.709 7.868 1.685 1.00 1.00 N +ATOM 1638 CD2 HIS A 107 -22.102 5.774 1.136 1.00 1.00 C +ATOM 1639 CE1 HIS A 107 -22.637 7.858 0.740 1.00 1.00 C +ATOM 1640 NE2 HIS A 107 -22.880 6.559 0.401 1.00 1.00 N +ATOM 1641 H HIS A 107 -21.190 3.364 2.312 1.00 1.00 H +ATOM 1642 HA HIS A 107 -19.759 4.692 4.400 1.00 1.00 H +ATOM 1643 HB2 HIS A 107 -20.302 6.958 3.769 1.00 1.00 H +ATOM 1644 HB3 HIS A 107 -19.326 6.210 2.520 1.00 1.00 H +ATOM 1645 HD1 HIS A 107 -21.331 8.682 2.126 1.00 1.00 H +ATOM 1646 HD2 HIS A 107 -22.069 4.685 1.089 1.00 1.00 H +ATOM 1647 HE1 HIS A 107 -23.122 8.734 0.308 1.00 1.00 H +ATOM 1648 N ARG A 108 -21.925 3.997 5.419 1.00 1.00 N +ATOM 1649 CA ARG A 108 -23.165 3.790 6.148 1.00 1.00 C +ATOM 1650 C ARG A 108 -22.982 4.164 7.621 1.00 1.00 C +ATOM 1651 O ARG A 108 -23.874 4.752 8.231 1.00 1.00 O +ATOM 1652 CB ARG A 108 -23.623 2.334 6.053 1.00 1.00 C +ATOM 1653 CG ARG A 108 -22.481 1.375 6.401 1.00 1.00 C +ATOM 1654 CD ARG A 108 -22.986 -0.067 6.494 1.00 1.00 C +ATOM 1655 NE ARG A 108 -23.849 -0.226 7.686 1.00 1.00 N +ATOM 1656 CZ ARG A 108 -23.896 -1.334 8.438 1.00 1.00 C +ATOM 1657 NH1 ARG A 108 -23.129 -2.387 8.126 1.00 1.00 N +ATOM 1658 NH2 ARG A 108 -24.710 -1.388 9.501 1.00 1.00 N +ATOM 1659 H ARG A 108 -21.116 3.580 5.832 1.00 1.00 H +ATOM 1660 HA ARG A 108 -23.886 4.446 5.664 1.00 1.00 H +ATOM 1661 HB2 ARG A 108 -24.462 2.168 6.729 1.00 1.00 H +ATOM 1662 HB3 ARG A 108 -23.981 2.127 5.044 1.00 1.00 H +ATOM 1663 HG2 ARG A 108 -21.701 1.444 5.645 1.00 1.00 H +ATOM 1664 HG3 ARG A 108 -22.034 1.669 7.351 1.00 1.00 H +ATOM 1665 HD2 ARG A 108 -23.544 -0.323 5.594 1.00 1.00 H +ATOM 1666 HD3 ARG A 108 -22.142 -0.752 6.553 1.00 1.00 H +ATOM 1667 HE ARG A 108 -24.434 0.542 7.946 1.00 1.00 H +ATOM 1668 HH11 ARG A 108 -22.521 -2.346 7.331 1.00 1.00 H +ATOM 1669 HH12 ARG A 108 -23.164 -3.215 8.686 1.00 1.00 H +ATOM 1670 HH21 ARG A 108 -25.282 -0.602 9.733 1.00 1.00 H +ATOM 1671 HH22 ARG A 108 -24.744 -2.216 10.061 1.00 1.00 H +ATOM 1672 N ASP A 109 -21.820 3.808 8.150 1.00 1.00 N +ATOM 1673 CA ASP A 109 -21.510 4.100 9.540 1.00 1.00 C +ATOM 1674 C ASP A 109 -20.531 5.275 9.603 1.00 1.00 C +ATOM 1675 O ASP A 109 -19.319 4.999 9.738 1.00 1.00 O +ATOM 1676 CB ASP A 109 -20.850 2.898 10.219 1.00 1.00 C +ATOM 1677 CG ASP A 109 -19.519 2.459 9.606 1.00 1.00 C +ATOM 1678 OD1 ASP A 109 -19.376 2.379 8.376 1.00 1.00 O +ATOM 1679 OD2 ASP A 109 -18.588 2.188 10.459 1.00 1.00 O +ATOM 1680 OXT ASP A 109 -20.941 6.432 9.524 1.00 1.00 O +ATOM 1681 H ASP A 109 -21.100 3.331 7.646 1.00 1.00 H +ATOM 1682 HA ASP A 109 -22.468 4.328 10.005 1.00 1.00 H +ATOM 1683 HB2 ASP A 109 -20.687 3.139 11.269 1.00 1.00 H +ATOM 1684 HB3 ASP A 109 -21.542 2.056 10.188 1.00 1.00 H +TER 1685 ASP A 109 +ENDMDL +MODEL 18 +ATOM 1 N GLY A 1 12.197 3.836 -7.087 1.00 1.00 N +ATOM 2 CA GLY A 1 10.783 3.606 -7.323 1.00 1.00 C +ATOM 3 C GLY A 1 10.017 4.928 -7.399 1.00 1.00 C +ATOM 4 O GLY A 1 9.714 5.411 -8.491 1.00 1.00 O +ATOM 5 H1 GLY A 1 12.329 4.764 -6.699 1.00 1.00 H +ATOM 6 H2 GLY A 1 12.549 3.144 -6.434 1.00 1.00 H +ATOM 7 H3 GLY A 1 12.703 3.761 -7.963 1.00 1.00 H +ATOM 8 HA2 GLY A 1 10.651 3.050 -8.251 1.00 1.00 H +ATOM 9 HA3 GLY A 1 10.372 2.991 -6.522 1.00 1.00 H +ATOM 10 N SER A 2 9.727 5.477 -6.229 1.00 1.00 N +ATOM 11 CA SER A 2 9.003 6.734 -6.151 1.00 1.00 C +ATOM 12 C SER A 2 7.610 6.575 -6.763 1.00 1.00 C +ATOM 13 O SER A 2 7.392 6.932 -7.920 1.00 1.00 O +ATOM 14 CB SER A 2 9.768 7.856 -6.856 1.00 1.00 C +ATOM 15 OG SER A 2 9.277 9.145 -6.498 1.00 1.00 O +ATOM 16 H SER A 2 9.977 5.077 -5.347 1.00 1.00 H +ATOM 17 HA SER A 2 8.928 6.958 -5.087 1.00 1.00 H +ATOM 18 HB2 SER A 2 10.827 7.787 -6.602 1.00 1.00 H +ATOM 19 HB3 SER A 2 9.690 7.724 -7.935 1.00 1.00 H +ATOM 20 HG SER A 2 9.753 9.478 -5.683 1.00 1.00 H +ATOM 21 N GLY A 3 6.702 6.039 -5.961 1.00 1.00 N +ATOM 22 CA GLY A 3 5.338 5.828 -6.411 1.00 1.00 C +ATOM 23 C GLY A 3 4.424 5.461 -5.239 1.00 1.00 C +ATOM 24 O GLY A 3 3.926 4.339 -5.164 1.00 1.00 O +ATOM 25 H GLY A 3 6.888 5.751 -5.021 1.00 1.00 H +ATOM 26 HA2 GLY A 3 4.967 6.730 -6.895 1.00 1.00 H +ATOM 27 HA3 GLY A 3 5.314 5.033 -7.157 1.00 1.00 H +ATOM 28 N ASN A 4 4.233 6.428 -4.353 1.00 1.00 N +ATOM 29 CA ASN A 4 3.390 6.220 -3.189 1.00 1.00 C +ATOM 30 C ASN A 4 2.006 5.749 -3.644 1.00 1.00 C +ATOM 31 O ASN A 4 1.134 6.565 -3.936 1.00 1.00 O +ATOM 32 CB ASN A 4 3.211 7.519 -2.400 1.00 1.00 C +ATOM 33 CG ASN A 4 4.563 8.082 -1.958 1.00 1.00 C +ATOM 34 OD1 ASN A 4 5.364 8.540 -2.756 1.00 1.00 O +ATOM 35 ND2 ASN A 4 4.772 8.023 -0.645 1.00 1.00 N +ATOM 36 H ASN A 4 4.643 7.337 -4.423 1.00 1.00 H +ATOM 37 HA ASN A 4 3.909 5.472 -2.589 1.00 1.00 H +ATOM 38 HB2 ASN A 4 2.690 8.253 -3.014 1.00 1.00 H +ATOM 39 HB3 ASN A 4 2.587 7.333 -1.526 1.00 1.00 H +ATOM 40 HD21 ASN A 4 4.073 7.635 -0.046 1.00 1.00 H +ATOM 41 HD22 ASN A 4 5.627 8.367 -0.260 1.00 1.00 H +ATOM 42 N SER A 5 1.850 4.434 -3.690 1.00 1.00 N +ATOM 43 CA SER A 5 0.588 3.845 -4.104 1.00 1.00 C +ATOM 44 C SER A 5 -0.440 3.965 -2.978 1.00 1.00 C +ATOM 45 O SER A 5 -0.297 4.803 -2.087 1.00 1.00 O +ATOM 46 CB SER A 5 0.768 2.380 -4.503 1.00 1.00 C +ATOM 47 OG SER A 5 0.796 1.517 -3.369 1.00 1.00 O +ATOM 48 H SER A 5 2.564 3.777 -3.450 1.00 1.00 H +ATOM 49 HA SER A 5 0.273 4.422 -4.974 1.00 1.00 H +ATOM 50 HB2 SER A 5 -0.043 2.082 -5.166 1.00 1.00 H +ATOM 51 HB3 SER A 5 1.697 2.268 -5.064 1.00 1.00 H +ATOM 52 HG SER A 5 -0.137 1.331 -3.059 1.00 1.00 H +ATOM 53 N LEU A 6 -1.456 3.118 -3.053 1.00 1.00 N +ATOM 54 CA LEU A 6 -2.508 3.118 -2.051 1.00 1.00 C +ATOM 55 C LEU A 6 -3.496 4.246 -2.355 1.00 1.00 C +ATOM 56 O LEU A 6 -3.604 4.690 -3.498 1.00 1.00 O +ATOM 57 CB LEU A 6 -1.908 3.189 -0.645 1.00 1.00 C +ATOM 58 CG LEU A 6 -2.339 2.086 0.325 1.00 1.00 C +ATOM 59 CD1 LEU A 6 -3.807 2.252 0.726 1.00 1.00 C +ATOM 60 CD2 LEU A 6 -2.058 0.701 -0.261 1.00 1.00 C +ATOM 61 H LEU A 6 -1.566 2.440 -3.779 1.00 1.00 H +ATOM 62 HA LEU A 6 -3.034 2.167 -2.129 1.00 1.00 H +ATOM 63 HB2 LEU A 6 -0.822 3.163 -0.733 1.00 1.00 H +ATOM 64 HB3 LEU A 6 -2.171 4.152 -0.207 1.00 1.00 H +ATOM 65 HG LEU A 6 -1.745 2.179 1.233 1.00 1.00 H +ATOM 66 HD11 LEU A 6 -4.433 2.219 -0.165 1.00 1.00 H +ATOM 67 HD12 LEU A 6 -4.092 1.445 1.401 1.00 1.00 H +ATOM 68 HD13 LEU A 6 -3.940 3.210 1.228 1.00 1.00 H +ATOM 69 HD21 LEU A 6 -1.275 0.778 -1.016 1.00 1.00 H +ATOM 70 HD22 LEU A 6 -1.731 0.030 0.533 1.00 1.00 H +ATOM 71 HD23 LEU A 6 -2.966 0.307 -0.718 1.00 1.00 H +ATOM 72 N GLU A 7 -4.191 4.678 -1.314 1.00 1.00 N +ATOM 73 CA GLU A 7 -5.166 5.745 -1.456 1.00 1.00 C +ATOM 74 C GLU A 7 -4.460 7.087 -1.659 1.00 1.00 C +ATOM 75 O GLU A 7 -4.625 8.008 -0.859 1.00 1.00 O +ATOM 76 CB GLU A 7 -6.104 5.796 -0.247 1.00 1.00 C +ATOM 77 CG GLU A 7 -7.542 5.477 -0.657 1.00 1.00 C +ATOM 78 CD GLU A 7 -8.535 6.375 0.085 1.00 1.00 C +ATOM 79 OE1 GLU A 7 -8.462 6.322 1.372 1.00 1.00 O +ATOM 80 OE2 GLU A 7 -9.330 7.082 -0.554 1.00 1.00 O +ATOM 81 H GLU A 7 -4.098 4.312 -0.388 1.00 1.00 H +ATOM 82 HA GLU A 7 -5.743 5.494 -2.346 1.00 1.00 H +ATOM 83 HB2 GLU A 7 -5.769 5.084 0.505 1.00 1.00 H +ATOM 84 HB3 GLU A 7 -6.061 6.786 0.208 1.00 1.00 H +ATOM 85 HG2 GLU A 7 -7.658 5.613 -1.732 1.00 1.00 H +ATOM 86 HG3 GLU A 7 -7.763 4.431 -0.442 1.00 1.00 H +ATOM 87 N LYS A 8 -3.685 7.156 -2.731 1.00 1.00 N +ATOM 88 CA LYS A 8 -2.953 8.370 -3.049 1.00 1.00 C +ATOM 89 C LYS A 8 -3.940 9.522 -3.240 1.00 1.00 C +ATOM 90 O LYS A 8 -4.628 9.917 -2.300 1.00 1.00 O +ATOM 91 CB LYS A 8 -2.034 8.142 -4.252 1.00 1.00 C +ATOM 92 CG LYS A 8 -0.689 8.845 -4.054 1.00 1.00 C +ATOM 93 CD LYS A 8 -0.782 10.323 -4.438 1.00 1.00 C +ATOM 94 CE LYS A 8 -0.178 11.211 -3.347 1.00 1.00 C +ATOM 95 NZ LYS A 8 1.052 11.872 -3.839 1.00 1.00 N +ATOM 96 H LYS A 8 -3.556 6.404 -3.377 1.00 1.00 H +ATOM 97 HA LYS A 8 -2.315 8.600 -2.196 1.00 1.00 H +ATOM 98 HB2 LYS A 8 -1.873 7.074 -4.394 1.00 1.00 H +ATOM 99 HB3 LYS A 8 -2.514 8.514 -5.157 1.00 1.00 H +ATOM 100 HG2 LYS A 8 -0.375 8.754 -3.015 1.00 1.00 H +ATOM 101 HG3 LYS A 8 0.074 8.356 -4.661 1.00 1.00 H +ATOM 102 HD2 LYS A 8 -0.260 10.492 -5.379 1.00 1.00 H +ATOM 103 HD3 LYS A 8 -1.824 10.596 -4.597 1.00 1.00 H +ATOM 104 HE2 LYS A 8 -0.904 11.963 -3.039 1.00 1.00 H +ATOM 105 HE3 LYS A 8 0.052 10.610 -2.469 1.00 1.00 H +ATOM 106 HZ1 LYS A 8 1.551 11.243 -4.450 1.00 1.00 H +ATOM 107 HZ2 LYS A 8 0.804 12.708 -4.349 1.00 1.00 H +ATOM 108 HZ3 LYS A 8 1.672 12.135 -3.082 1.00 1.00 H +ATOM 109 N HIS A 9 -3.981 10.029 -4.464 1.00 1.00 N +ATOM 110 CA HIS A 9 -4.872 11.128 -4.790 1.00 1.00 C +ATOM 111 C HIS A 9 -6.313 10.615 -4.867 1.00 1.00 C +ATOM 112 O HIS A 9 -6.567 9.434 -4.638 1.00 1.00 O +ATOM 113 CB HIS A 9 -4.424 11.831 -6.073 1.00 1.00 C +ATOM 114 CG HIS A 9 -3.327 12.846 -5.864 1.00 1.00 C +ATOM 115 ND1 HIS A 9 -2.533 12.872 -4.730 1.00 1.00 N +ATOM 116 CD2 HIS A 9 -2.898 13.870 -6.657 1.00 1.00 C +ATOM 117 CE1 HIS A 9 -1.670 13.871 -4.845 1.00 1.00 C +ATOM 118 NE2 HIS A 9 -1.897 14.489 -6.040 1.00 1.00 N +ATOM 119 H HIS A 9 -3.417 9.703 -5.222 1.00 1.00 H +ATOM 120 HA HIS A 9 -4.797 11.846 -3.973 1.00 1.00 H +ATOM 121 HB2 HIS A 9 -4.080 11.081 -6.784 1.00 1.00 H +ATOM 122 HB3 HIS A 9 -5.284 12.328 -6.522 1.00 1.00 H +ATOM 123 HD1 HIS A 9 -2.600 12.243 -3.956 1.00 1.00 H +ATOM 124 HD2 HIS A 9 -3.306 14.136 -7.632 1.00 1.00 H +ATOM 125 HE1 HIS A 9 -0.912 14.149 -4.114 1.00 1.00 H +ATOM 126 N SER A 10 -7.216 11.529 -5.192 1.00 1.00 N +ATOM 127 CA SER A 10 -8.623 11.184 -5.302 1.00 1.00 C +ATOM 128 C SER A 10 -8.885 10.477 -6.634 1.00 1.00 C +ATOM 129 O SER A 10 -10.032 10.195 -6.975 1.00 1.00 O +ATOM 130 CB SER A 10 -9.507 12.426 -5.176 1.00 1.00 C +ATOM 131 OG SER A 10 -9.082 13.473 -6.046 1.00 1.00 O +ATOM 132 H SER A 10 -6.999 12.487 -5.376 1.00 1.00 H +ATOM 133 HA SER A 10 -8.822 10.512 -4.467 1.00 1.00 H +ATOM 134 HB2 SER A 10 -10.538 12.161 -5.407 1.00 1.00 H +ATOM 135 HB3 SER A 10 -9.489 12.780 -4.147 1.00 1.00 H +ATOM 136 HG SER A 10 -9.741 14.225 -6.023 1.00 1.00 H +ATOM 137 N TRP A 11 -7.802 10.213 -7.350 1.00 1.00 N +ATOM 138 CA TRP A 11 -7.901 9.545 -8.637 1.00 1.00 C +ATOM 139 C TRP A 11 -6.998 8.310 -8.599 1.00 1.00 C +ATOM 140 O TRP A 11 -6.902 7.576 -9.581 1.00 1.00 O +ATOM 141 CB TRP A 11 -7.555 10.502 -9.779 1.00 1.00 C +ATOM 142 CG TRP A 11 -6.346 11.396 -9.499 1.00 1.00 C +ATOM 143 CD1 TRP A 11 -6.326 12.722 -9.311 1.00 1.00 C +ATOM 144 CD2 TRP A 11 -4.972 10.971 -9.381 1.00 1.00 C +ATOM 145 NE1 TRP A 11 -5.044 13.182 -9.081 1.00 1.00 N +ATOM 146 CE2 TRP A 11 -4.194 12.083 -9.125 1.00 1.00 C +ATOM 147 CE3 TRP A 11 -4.403 9.689 -9.488 1.00 1.00 C +ATOM 148 CZ2 TRP A 11 -2.807 12.025 -8.954 1.00 1.00 C +ATOM 149 CZ3 TRP A 11 -3.015 9.649 -9.314 1.00 1.00 C +ATOM 150 CH2 TRP A 11 -2.219 10.758 -9.057 1.00 1.00 C +ATOM 151 H TRP A 11 -6.872 10.446 -7.065 1.00 1.00 H +ATOM 152 HA TRP A 11 -8.939 9.244 -8.777 1.00 1.00 H +ATOM 153 HB2 TRP A 11 -7.364 9.922 -10.681 1.00 1.00 H +ATOM 154 HB3 TRP A 11 -8.420 11.133 -9.984 1.00 1.00 H +ATOM 155 HD1 TRP A 11 -7.210 13.359 -9.335 1.00 1.00 H +ATOM 156 HE1 TRP A 11 -4.753 14.216 -8.899 1.00 1.00 H +ATOM 157 HE3 TRP A 11 -4.995 8.795 -9.689 1.00 1.00 H +ATOM 158 HZ2 TRP A 11 -2.216 12.919 -8.754 1.00 1.00 H +ATOM 159 HZ3 TRP A 11 -2.524 8.678 -9.387 1.00 1.00 H +ATOM 160 HH2 TRP A 11 -1.142 10.644 -8.934 1.00 1.00 H +ATOM 161 N TYR A 12 -6.359 8.118 -7.454 1.00 1.00 N +ATOM 162 CA TYR A 12 -5.468 6.985 -7.276 1.00 1.00 C +ATOM 163 C TYR A 12 -6.077 5.952 -6.325 1.00 1.00 C +ATOM 164 O TYR A 12 -6.172 6.191 -5.122 1.00 1.00 O +ATOM 165 CB TYR A 12 -4.191 7.546 -6.647 1.00 1.00 C +ATOM 166 CG TYR A 12 -2.948 6.688 -6.888 1.00 1.00 C +ATOM 167 CD1 TYR A 12 -3.068 5.318 -6.997 1.00 1.00 C +ATOM 168 CD2 TYR A 12 -1.708 7.284 -6.997 1.00 1.00 C +ATOM 169 CE1 TYR A 12 -1.898 4.508 -7.225 1.00 1.00 C +ATOM 170 CE2 TYR A 12 -0.538 6.475 -7.224 1.00 1.00 C +ATOM 171 CZ TYR A 12 -0.691 5.127 -7.327 1.00 1.00 C +ATOM 172 OH TYR A 12 0.413 4.363 -7.542 1.00 1.00 O +ATOM 173 H TYR A 12 -6.442 8.720 -6.660 1.00 1.00 H +ATOM 174 HA TYR A 12 -5.313 6.523 -8.250 1.00 1.00 H +ATOM 175 HB2 TYR A 12 -4.012 8.545 -7.045 1.00 1.00 H +ATOM 176 HB3 TYR A 12 -4.344 7.655 -5.574 1.00 1.00 H +ATOM 177 HD1 TYR A 12 -4.047 4.847 -6.912 1.00 1.00 H +ATOM 178 HD2 TYR A 12 -1.614 8.366 -6.910 1.00 1.00 H +ATOM 179 HE1 TYR A 12 -1.978 3.426 -7.313 1.00 1.00 H +ATOM 180 HE2 TYR A 12 0.447 6.932 -7.311 1.00 1.00 H +ATOM 181 HH TYR A 12 0.277 3.449 -7.158 1.00 1.00 H +ATOM 182 N HIS A 13 -6.476 4.828 -6.901 1.00 1.00 N +ATOM 183 CA HIS A 13 -7.073 3.758 -6.120 1.00 1.00 C +ATOM 184 C HIS A 13 -6.126 2.558 -6.083 1.00 1.00 C +ATOM 185 O HIS A 13 -5.782 2.065 -5.010 1.00 1.00 O +ATOM 186 CB HIS A 13 -8.461 3.403 -6.659 1.00 1.00 C +ATOM 187 CG HIS A 13 -8.751 3.967 -8.029 1.00 1.00 C +ATOM 188 ND1 HIS A 13 -9.336 3.223 -9.037 1.00 1.00 N +ATOM 189 CD2 HIS A 13 -8.531 5.210 -8.545 1.00 1.00 C +ATOM 190 CE1 HIS A 13 -9.458 3.993 -10.109 1.00 1.00 C +ATOM 191 NE2 HIS A 13 -8.958 5.224 -9.802 1.00 1.00 N +ATOM 192 H HIS A 13 -6.395 4.642 -7.881 1.00 1.00 H +ATOM 193 HA HIS A 13 -7.199 4.142 -5.107 1.00 1.00 H +ATOM 194 HB2 HIS A 13 -8.558 2.317 -6.696 1.00 1.00 H +ATOM 195 HB3 HIS A 13 -9.215 3.765 -5.960 1.00 1.00 H +ATOM 196 HD1 HIS A 13 -9.621 2.266 -8.970 1.00 1.00 H +ATOM 197 HD2 HIS A 13 -8.080 6.049 -8.016 1.00 1.00 H +ATOM 198 HE1 HIS A 13 -9.884 3.696 -11.067 1.00 1.00 H +ATOM 199 N GLY A 14 -5.729 2.121 -7.270 1.00 1.00 N +ATOM 200 CA GLY A 14 -4.828 0.987 -7.388 1.00 1.00 C +ATOM 201 C GLY A 14 -4.976 0.308 -8.751 1.00 1.00 C +ATOM 202 O GLY A 14 -5.436 0.927 -9.710 1.00 1.00 O +ATOM 203 H GLY A 14 -6.014 2.527 -8.140 1.00 1.00 H +ATOM 204 HA2 GLY A 14 -3.800 1.321 -7.253 1.00 1.00 H +ATOM 205 HA3 GLY A 14 -5.037 0.268 -6.595 1.00 1.00 H +ATOM 206 N PRO A 15 -4.567 -0.989 -8.795 1.00 1.00 N +ATOM 207 CA PRO A 15 -4.650 -1.758 -10.025 1.00 1.00 C +ATOM 208 C PRO A 15 -6.093 -2.167 -10.319 1.00 1.00 C +ATOM 209 O PRO A 15 -6.722 -2.859 -9.521 1.00 1.00 O +ATOM 210 CB PRO A 15 -3.727 -2.946 -9.807 1.00 1.00 C +ATOM 211 CG PRO A 15 -3.526 -3.048 -8.304 1.00 1.00 C +ATOM 212 CD PRO A 15 -4.018 -1.752 -7.679 1.00 1.00 C +ATOM 213 HA PRO A 15 -4.358 -1.201 -10.802 1.00 1.00 H +ATOM 214 HB2 PRO A 15 -4.168 -3.861 -10.205 1.00 1.00 H +ATOM 215 HB3 PRO A 15 -2.776 -2.802 -10.319 1.00 1.00 H +ATOM 216 HG2 PRO A 15 -4.076 -3.900 -7.902 1.00 1.00 H +ATOM 217 HG3 PRO A 15 -2.474 -3.209 -8.069 1.00 1.00 H +ATOM 218 HD2 PRO A 15 -4.775 -1.943 -6.918 1.00 1.00 H +ATOM 219 HD3 PRO A 15 -3.204 -1.214 -7.192 1.00 1.00 H +ATOM 220 N VAL A 16 -6.577 -1.722 -11.471 1.00 1.00 N +ATOM 221 CA VAL A 16 -7.936 -2.033 -11.880 1.00 1.00 C +ATOM 222 C VAL A 16 -7.955 -2.332 -13.380 1.00 1.00 C +ATOM 223 O VAL A 16 -7.161 -1.777 -14.139 1.00 1.00 O +ATOM 224 CB VAL A 16 -8.876 -0.892 -11.487 1.00 1.00 C +ATOM 225 CG1 VAL A 16 -10.340 -1.294 -11.684 1.00 1.00 C +ATOM 226 CG2 VAL A 16 -8.620 -0.443 -10.047 1.00 1.00 C +ATOM 227 H VAL A 16 -6.060 -1.159 -12.114 1.00 1.00 H +ATOM 228 HA VAL A 16 -8.246 -2.927 -11.341 1.00 1.00 H +ATOM 229 HB VAL A 16 -8.670 -0.047 -12.143 1.00 1.00 H +ATOM 230 HG11 VAL A 16 -10.398 -2.366 -11.878 1.00 1.00 H +ATOM 231 HG12 VAL A 16 -10.906 -1.057 -10.784 1.00 1.00 H +ATOM 232 HG13 VAL A 16 -10.756 -0.749 -12.530 1.00 1.00 H +ATOM 233 HG21 VAL A 16 -7.549 -0.325 -9.887 1.00 1.00 H +ATOM 234 HG22 VAL A 16 -9.121 0.507 -9.867 1.00 1.00 H +ATOM 235 HG23 VAL A 16 -9.009 -1.194 -9.358 1.00 1.00 H +ATOM 236 N SER A 17 -8.870 -3.209 -13.766 1.00 1.00 N +ATOM 237 CA SER A 17 -9.003 -3.588 -15.162 1.00 1.00 C +ATOM 238 C SER A 17 -9.695 -2.470 -15.944 1.00 1.00 C +ATOM 239 O SER A 17 -10.783 -2.032 -15.576 1.00 1.00 O +ATOM 240 CB SER A 17 -9.782 -4.898 -15.305 1.00 1.00 C +ATOM 241 OG SER A 17 -9.290 -5.911 -14.432 1.00 1.00 O +ATOM 242 H SER A 17 -9.512 -3.657 -13.143 1.00 1.00 H +ATOM 243 HA SER A 17 -7.983 -3.732 -15.520 1.00 1.00 H +ATOM 244 HB2 SER A 17 -10.835 -4.717 -15.092 1.00 1.00 H +ATOM 245 HB3 SER A 17 -9.720 -5.246 -16.336 1.00 1.00 H +ATOM 246 HG SER A 17 -9.752 -5.856 -13.547 1.00 1.00 H +ATOM 247 N ARG A 18 -9.035 -2.044 -17.011 1.00 1.00 N +ATOM 248 CA ARG A 18 -9.573 -0.985 -17.848 1.00 1.00 C +ATOM 249 C ARG A 18 -11.021 -1.297 -18.233 1.00 1.00 C +ATOM 250 O ARG A 18 -11.855 -0.396 -18.305 1.00 1.00 O +ATOM 251 CB ARG A 18 -8.741 -0.813 -19.122 1.00 1.00 C +ATOM 252 CG ARG A 18 -7.413 -0.118 -18.818 1.00 1.00 C +ATOM 253 CD ARG A 18 -6.325 -0.558 -19.802 1.00 1.00 C +ATOM 254 NE ARG A 18 -6.875 -0.602 -21.175 1.00 1.00 N +ATOM 255 CZ ARG A 18 -7.327 -1.716 -21.769 1.00 1.00 C +ATOM 256 NH1 ARG A 18 -7.297 -2.883 -21.113 1.00 1.00 N +ATOM 257 NH2 ARG A 18 -7.808 -1.661 -23.018 1.00 1.00 N +ATOM 258 H ARG A 18 -8.151 -2.406 -17.305 1.00 1.00 H +ATOM 259 HA ARG A 18 -9.514 -0.086 -17.235 1.00 1.00 H +ATOM 260 HB2 ARG A 18 -8.551 -1.788 -19.571 1.00 1.00 H +ATOM 261 HB3 ARG A 18 -9.301 -0.229 -19.851 1.00 1.00 H +ATOM 262 HG2 ARG A 18 -7.541 0.963 -18.872 1.00 1.00 H +ATOM 263 HG3 ARG A 18 -7.101 -0.351 -17.799 1.00 1.00 H +ATOM 264 HD2 ARG A 18 -5.485 0.133 -19.759 1.00 1.00 H +ATOM 265 HD3 ARG A 18 -5.947 -1.540 -19.522 1.00 1.00 H +ATOM 266 HE ARG A 18 -6.911 0.253 -21.693 1.00 1.00 H +ATOM 267 HH11 ARG A 18 -6.938 -2.924 -20.181 1.00 1.00 H +ATOM 268 HH12 ARG A 18 -7.634 -3.714 -21.555 1.00 1.00 H +ATOM 269 HH21 ARG A 18 -7.830 -0.789 -23.508 1.00 1.00 H +ATOM 270 HH22 ARG A 18 -8.145 -2.491 -23.461 1.00 1.00 H +ATOM 271 N ASN A 19 -11.275 -2.576 -18.468 1.00 1.00 N +ATOM 272 CA ASN A 19 -12.607 -3.017 -18.843 1.00 1.00 C +ATOM 273 C ASN A 19 -13.619 -2.499 -17.818 1.00 1.00 C +ATOM 274 O ASN A 19 -14.499 -1.707 -18.155 1.00 1.00 O +ATOM 275 CB ASN A 19 -12.696 -4.544 -18.863 1.00 1.00 C +ATOM 276 CG ASN A 19 -12.302 -5.098 -20.234 1.00 1.00 C +ATOM 277 OD1 ASN A 19 -11.164 -5.014 -20.662 1.00 1.00 O +ATOM 278 ND2 ASN A 19 -13.306 -5.667 -20.896 1.00 1.00 N +ATOM 279 H ASN A 19 -10.591 -3.302 -18.407 1.00 1.00 H +ATOM 280 HA ASN A 19 -12.776 -2.608 -19.839 1.00 1.00 H +ATOM 281 HB2 ASN A 19 -12.043 -4.960 -18.097 1.00 1.00 H +ATOM 282 HB3 ASN A 19 -13.712 -4.856 -18.620 1.00 1.00 H +ATOM 283 HD21 ASN A 19 -14.218 -5.703 -20.488 1.00 1.00 H +ATOM 284 HD22 ASN A 19 -13.148 -6.060 -21.803 1.00 1.00 H +ATOM 285 N ALA A 20 -13.461 -2.966 -16.589 1.00 1.00 N +ATOM 286 CA ALA A 20 -14.348 -2.559 -15.512 1.00 1.00 C +ATOM 287 C ALA A 20 -14.330 -1.034 -15.392 1.00 1.00 C +ATOM 288 O ALA A 20 -15.356 -0.418 -15.106 1.00 1.00 O +ATOM 289 CB ALA A 20 -13.930 -3.252 -14.216 1.00 1.00 C +ATOM 290 H ALA A 20 -12.743 -3.610 -16.324 1.00 1.00 H +ATOM 291 HA ALA A 20 -15.356 -2.884 -15.775 1.00 1.00 H +ATOM 292 HB1 ALA A 20 -12.906 -3.617 -14.312 1.00 1.00 H +ATOM 293 HB2 ALA A 20 -13.987 -2.543 -13.390 1.00 1.00 H +ATOM 294 HB3 ALA A 20 -14.598 -4.092 -14.020 1.00 1.00 H +ATOM 295 N ALA A 21 -13.154 -0.468 -15.615 1.00 1.00 N +ATOM 296 CA ALA A 21 -12.988 0.973 -15.535 1.00 1.00 C +ATOM 297 C ALA A 21 -14.103 1.655 -16.330 1.00 1.00 C +ATOM 298 O ALA A 21 -14.934 2.361 -15.762 1.00 1.00 O +ATOM 299 CB ALA A 21 -11.595 1.356 -16.037 1.00 1.00 C +ATOM 300 H ALA A 21 -12.324 -0.976 -15.847 1.00 1.00 H +ATOM 301 HA ALA A 21 -13.075 1.259 -14.487 1.00 1.00 H +ATOM 302 HB1 ALA A 21 -11.018 0.453 -16.230 1.00 1.00 H +ATOM 303 HB2 ALA A 21 -11.686 1.933 -16.957 1.00 1.00 H +ATOM 304 HB3 ALA A 21 -11.089 1.957 -15.281 1.00 1.00 H +ATOM 305 N GLU A 22 -14.086 1.420 -17.634 1.00 1.00 N +ATOM 306 CA GLU A 22 -15.084 2.002 -18.515 1.00 1.00 C +ATOM 307 C GLU A 22 -16.491 1.654 -18.023 1.00 1.00 C +ATOM 308 O GLU A 22 -17.404 2.473 -18.113 1.00 1.00 O +ATOM 309 CB GLU A 22 -14.877 1.542 -19.958 1.00 1.00 C +ATOM 310 CG GLU A 22 -13.391 1.532 -20.323 1.00 1.00 C +ATOM 311 CD GLU A 22 -13.199 1.571 -21.840 1.00 1.00 C +ATOM 312 OE1 GLU A 22 -13.717 2.528 -22.454 1.00 1.00 O +ATOM 313 OE2 GLU A 22 -12.539 0.642 -22.353 1.00 1.00 O +ATOM 314 H GLU A 22 -13.407 0.844 -18.089 1.00 1.00 H +ATOM 315 HA GLU A 22 -14.929 3.079 -18.455 1.00 1.00 H +ATOM 316 HB2 GLU A 22 -15.295 0.544 -20.089 1.00 1.00 H +ATOM 317 HB3 GLU A 22 -15.417 2.205 -20.635 1.00 1.00 H +ATOM 318 HG2 GLU A 22 -12.895 2.388 -19.867 1.00 1.00 H +ATOM 319 HG3 GLU A 22 -12.920 0.637 -19.917 1.00 1.00 H +ATOM 320 N TYR A 23 -16.623 0.437 -17.516 1.00 1.00 N +ATOM 321 CA TYR A 23 -17.901 -0.029 -17.011 1.00 1.00 C +ATOM 322 C TYR A 23 -18.314 0.747 -15.758 1.00 1.00 C +ATOM 323 O TYR A 23 -19.257 1.535 -15.795 1.00 1.00 O +ATOM 324 CB TYR A 23 -17.698 -1.499 -16.642 1.00 1.00 C +ATOM 325 CG TYR A 23 -18.964 -2.192 -16.127 1.00 1.00 C +ATOM 326 CD1 TYR A 23 -20.091 -2.244 -16.919 1.00 1.00 C +ATOM 327 CD2 TYR A 23 -18.973 -2.765 -14.871 1.00 1.00 C +ATOM 328 CE1 TYR A 23 -21.282 -2.897 -16.435 1.00 1.00 C +ATOM 329 CE2 TYR A 23 -20.163 -3.417 -14.388 1.00 1.00 C +ATOM 330 CZ TYR A 23 -21.259 -3.450 -15.192 1.00 1.00 C +ATOM 331 OH TYR A 23 -22.382 -4.066 -14.736 1.00 1.00 O +ATOM 332 H TYR A 23 -15.874 -0.223 -17.447 1.00 1.00 H +ATOM 333 HA TYR A 23 -18.648 0.129 -17.789 1.00 1.00 H +ATOM 334 HB2 TYR A 23 -17.334 -2.037 -17.518 1.00 1.00 H +ATOM 335 HB3 TYR A 23 -16.923 -1.569 -15.879 1.00 1.00 H +ATOM 336 HD1 TYR A 23 -20.084 -1.792 -17.911 1.00 1.00 H +ATOM 337 HD2 TYR A 23 -18.082 -2.724 -14.246 1.00 1.00 H +ATOM 338 HE1 TYR A 23 -22.180 -2.945 -17.049 1.00 1.00 H +ATOM 339 HE2 TYR A 23 -20.185 -3.873 -13.397 1.00 1.00 H +ATOM 340 HH TYR A 23 -23.175 -3.765 -15.263 1.00 1.00 H +ATOM 341 N LEU A 24 -17.585 0.496 -14.680 1.00 1.00 N +ATOM 342 CA LEU A 24 -17.863 1.161 -13.419 1.00 1.00 C +ATOM 343 C LEU A 24 -17.824 2.678 -13.627 1.00 1.00 C +ATOM 344 O LEU A 24 -18.495 3.423 -12.915 1.00 1.00 O +ATOM 345 CB LEU A 24 -16.908 0.666 -12.331 1.00 1.00 C +ATOM 346 CG LEU A 24 -15.436 1.047 -12.504 1.00 1.00 C +ATOM 347 CD1 LEU A 24 -15.143 2.409 -11.871 1.00 1.00 C +ATOM 348 CD2 LEU A 24 -14.519 -0.048 -11.958 1.00 1.00 C +ATOM 349 H LEU A 24 -16.819 -0.146 -14.660 1.00 1.00 H +ATOM 350 HA LEU A 24 -18.871 0.880 -13.115 1.00 1.00 H +ATOM 351 HB2 LEU A 24 -17.251 1.052 -11.371 1.00 1.00 H +ATOM 352 HB3 LEU A 24 -16.978 -0.421 -12.281 1.00 1.00 H +ATOM 353 HG LEU A 24 -15.230 1.137 -13.572 1.00 1.00 H +ATOM 354 HD11 LEU A 24 -15.809 3.159 -12.300 1.00 1.00 H +ATOM 355 HD12 LEU A 24 -15.306 2.352 -10.795 1.00 1.00 H +ATOM 356 HD13 LEU A 24 -14.109 2.686 -12.069 1.00 1.00 H +ATOM 357 HD21 LEU A 24 -14.792 -1.006 -12.400 1.00 1.00 H +ATOM 358 HD22 LEU A 24 -13.484 0.186 -12.209 1.00 1.00 H +ATOM 359 HD23 LEU A 24 -14.626 -0.105 -10.874 1.00 1.00 H +ATOM 360 N LEU A 25 -17.032 3.088 -14.606 1.00 1.00 N +ATOM 361 CA LEU A 25 -16.896 4.501 -14.916 1.00 1.00 C +ATOM 362 C LEU A 25 -18.262 5.063 -15.317 1.00 1.00 C +ATOM 363 O LEU A 25 -18.474 6.274 -15.276 1.00 1.00 O +ATOM 364 CB LEU A 25 -15.809 4.715 -15.972 1.00 1.00 C +ATOM 365 CG LEU A 25 -15.742 6.114 -16.590 1.00 1.00 C +ATOM 366 CD1 LEU A 25 -15.374 7.162 -15.539 1.00 1.00 C +ATOM 367 CD2 LEU A 25 -14.786 6.139 -17.785 1.00 1.00 C +ATOM 368 H LEU A 25 -16.488 2.474 -15.180 1.00 1.00 H +ATOM 369 HA LEU A 25 -16.567 5.005 -14.008 1.00 1.00 H +ATOM 370 HB2 LEU A 25 -14.843 4.493 -15.520 1.00 1.00 H +ATOM 371 HB3 LEU A 25 -15.960 3.992 -16.773 1.00 1.00 H +ATOM 372 HG LEU A 25 -16.733 6.369 -16.967 1.00 1.00 H +ATOM 373 HD11 LEU A 25 -14.742 6.705 -14.777 1.00 1.00 H +ATOM 374 HD12 LEU A 25 -14.835 7.981 -16.015 1.00 1.00 H +ATOM 375 HD13 LEU A 25 -16.283 7.545 -15.075 1.00 1.00 H +ATOM 376 HD21 LEU A 25 -14.311 5.164 -17.890 1.00 1.00 H +ATOM 377 HD22 LEU A 25 -15.344 6.372 -18.692 1.00 1.00 H +ATOM 378 HD23 LEU A 25 -14.023 6.900 -17.623 1.00 1.00 H +ATOM 379 N SER A 26 -19.151 4.157 -15.694 1.00 1.00 N +ATOM 380 CA SER A 26 -20.491 4.548 -16.101 1.00 1.00 C +ATOM 381 C SER A 26 -20.989 5.698 -15.223 1.00 1.00 C +ATOM 382 O SER A 26 -21.452 6.717 -15.734 1.00 1.00 O +ATOM 383 CB SER A 26 -21.458 3.364 -16.024 1.00 1.00 C +ATOM 384 OG SER A 26 -21.434 2.579 -17.212 1.00 1.00 O +ATOM 385 H SER A 26 -18.971 3.175 -15.723 1.00 1.00 H +ATOM 386 HA SER A 26 -20.395 4.871 -17.137 1.00 1.00 H +ATOM 387 HB2 SER A 26 -21.196 2.738 -15.171 1.00 1.00 H +ATOM 388 HB3 SER A 26 -22.469 3.732 -15.851 1.00 1.00 H +ATOM 389 HG SER A 26 -22.159 2.879 -17.834 1.00 1.00 H +ATOM 390 N SER A 27 -20.879 5.496 -13.919 1.00 1.00 N +ATOM 391 CA SER A 27 -21.313 6.503 -12.965 1.00 1.00 C +ATOM 392 C SER A 27 -20.275 7.625 -12.881 1.00 1.00 C +ATOM 393 O SER A 27 -19.384 7.587 -12.032 1.00 1.00 O +ATOM 394 CB SER A 27 -21.547 5.891 -11.583 1.00 1.00 C +ATOM 395 OG SER A 27 -20.352 5.343 -11.033 1.00 1.00 O +ATOM 396 H SER A 27 -20.502 4.665 -13.511 1.00 1.00 H +ATOM 397 HA SER A 27 -22.255 6.884 -13.359 1.00 1.00 H +ATOM 398 HB2 SER A 27 -21.941 6.652 -10.911 1.00 1.00 H +ATOM 399 HB3 SER A 27 -22.302 5.108 -11.657 1.00 1.00 H +ATOM 400 HG SER A 27 -19.626 5.344 -11.721 1.00 1.00 H +ATOM 401 N GLY A 28 -20.425 8.595 -13.768 1.00 1.00 N +ATOM 402 CA GLY A 28 -19.511 9.725 -13.805 1.00 1.00 C +ATOM 403 C GLY A 28 -19.939 10.743 -14.863 1.00 1.00 C +ATOM 404 O GLY A 28 -20.696 10.415 -15.776 1.00 1.00 O +ATOM 405 H GLY A 28 -21.153 8.618 -14.454 1.00 1.00 H +ATOM 406 HA2 GLY A 28 -19.481 10.203 -12.825 1.00 1.00 H +ATOM 407 HA3 GLY A 28 -18.502 9.375 -14.019 1.00 1.00 H +ATOM 408 N ILE A 29 -19.437 11.959 -14.706 1.00 1.00 N +ATOM 409 CA ILE A 29 -19.758 13.028 -15.636 1.00 1.00 C +ATOM 410 C ILE A 29 -18.827 12.940 -16.847 1.00 1.00 C +ATOM 411 O ILE A 29 -17.969 12.063 -16.912 1.00 1.00 O +ATOM 412 CB ILE A 29 -19.722 14.384 -14.929 1.00 1.00 C +ATOM 413 CG1 ILE A 29 -18.413 15.119 -15.221 1.00 1.00 C +ATOM 414 CG2 ILE A 29 -19.969 14.225 -13.427 1.00 1.00 C +ATOM 415 CD1 ILE A 29 -18.241 16.321 -14.289 1.00 1.00 C +ATOM 416 H ILE A 29 -18.823 12.218 -13.960 1.00 1.00 H +ATOM 417 HA ILE A 29 -20.782 12.869 -15.976 1.00 1.00 H +ATOM 418 HB ILE A 29 -20.533 14.997 -15.325 1.00 1.00 H +ATOM 419 HG12 ILE A 29 -17.573 14.436 -15.097 1.00 1.00 H +ATOM 420 HG13 ILE A 29 -18.403 15.454 -16.257 1.00 1.00 H +ATOM 421 HG21 ILE A 29 -20.574 13.337 -13.249 1.00 1.00 H +ATOM 422 HG22 ILE A 29 -19.014 14.124 -12.910 1.00 1.00 H +ATOM 423 HG23 ILE A 29 -20.495 15.103 -13.050 1.00 1.00 H +ATOM 424 HD11 ILE A 29 -18.416 16.011 -13.259 1.00 1.00 H +ATOM 425 HD12 ILE A 29 -17.227 16.712 -14.383 1.00 1.00 H +ATOM 426 HD13 ILE A 29 -18.956 17.098 -14.560 1.00 1.00 H +ATOM 427 N ASN A 30 -19.028 13.864 -17.775 1.00 1.00 N +ATOM 428 CA ASN A 30 -18.216 13.903 -18.980 1.00 1.00 C +ATOM 429 C ASN A 30 -16.867 14.551 -18.660 1.00 1.00 C +ATOM 430 O ASN A 30 -16.364 15.360 -19.437 1.00 1.00 O +ATOM 431 CB ASN A 30 -18.892 14.734 -20.073 1.00 1.00 C +ATOM 432 CG ASN A 30 -19.350 16.088 -19.528 1.00 1.00 C +ATOM 433 OD1 ASN A 30 -20.489 16.274 -19.134 1.00 1.00 O +ATOM 434 ND2 ASN A 30 -18.401 17.020 -19.529 1.00 1.00 N +ATOM 435 H ASN A 30 -19.729 14.576 -17.715 1.00 1.00 H +ATOM 436 HA ASN A 30 -18.116 12.863 -19.292 1.00 1.00 H +ATOM 437 HB2 ASN A 30 -18.199 14.886 -20.900 1.00 1.00 H +ATOM 438 HB3 ASN A 30 -19.749 14.189 -20.471 1.00 1.00 H +ATOM 439 HD21 ASN A 30 -17.485 16.801 -19.867 1.00 1.00 H +ATOM 440 HD22 ASN A 30 -18.603 17.940 -19.192 1.00 1.00 H +ATOM 441 N GLY A 31 -16.321 14.170 -17.515 1.00 1.00 N +ATOM 442 CA GLY A 31 -15.041 14.704 -17.084 1.00 1.00 C +ATOM 443 C GLY A 31 -14.555 14.002 -15.813 1.00 1.00 C +ATOM 444 O GLY A 31 -14.758 14.500 -14.709 1.00 1.00 O +ATOM 445 H GLY A 31 -16.737 13.512 -16.889 1.00 1.00 H +ATOM 446 HA2 GLY A 31 -14.304 14.578 -17.877 1.00 1.00 H +ATOM 447 HA3 GLY A 31 -15.131 15.774 -16.899 1.00 1.00 H +ATOM 448 N SER A 32 -13.919 12.857 -16.015 1.00 1.00 N +ATOM 449 CA SER A 32 -13.402 12.081 -14.900 1.00 1.00 C +ATOM 450 C SER A 32 -12.163 11.298 -15.337 1.00 1.00 C +ATOM 451 O SER A 32 -12.118 10.771 -16.447 1.00 1.00 O +ATOM 452 CB SER A 32 -14.466 11.128 -14.352 1.00 1.00 C +ATOM 453 OG SER A 32 -14.456 9.871 -15.023 1.00 1.00 O +ATOM 454 H SER A 32 -13.757 12.458 -16.918 1.00 1.00 H +ATOM 455 HA SER A 32 -13.142 12.813 -14.135 1.00 1.00 H +ATOM 456 HB2 SER A 32 -14.298 10.971 -13.285 1.00 1.00 H +ATOM 457 HB3 SER A 32 -15.450 11.585 -14.454 1.00 1.00 H +ATOM 458 HG SER A 32 -14.016 9.180 -14.449 1.00 1.00 H +ATOM 459 N PHE A 33 -11.188 11.247 -14.441 1.00 1.00 N +ATOM 460 CA PHE A 33 -9.951 10.537 -14.721 1.00 1.00 C +ATOM 461 C PHE A 33 -9.556 9.642 -13.546 1.00 1.00 C +ATOM 462 O PHE A 33 -9.617 10.062 -12.391 1.00 1.00 O +ATOM 463 CB PHE A 33 -8.866 11.595 -14.928 1.00 1.00 C +ATOM 464 CG PHE A 33 -9.290 12.753 -15.834 1.00 1.00 C +ATOM 465 CD1 PHE A 33 -10.411 13.467 -15.545 1.00 1.00 C +ATOM 466 CD2 PHE A 33 -8.547 13.068 -16.927 1.00 1.00 C +ATOM 467 CE1 PHE A 33 -10.805 14.542 -16.385 1.00 1.00 C +ATOM 468 CE2 PHE A 33 -8.941 14.143 -17.768 1.00 1.00 C +ATOM 469 CZ PHE A 33 -10.062 14.857 -17.479 1.00 1.00 C +ATOM 470 H PHE A 33 -11.233 11.679 -13.540 1.00 1.00 H +ATOM 471 HA PHE A 33 -10.125 9.921 -15.603 1.00 1.00 H +ATOM 472 HB2 PHE A 33 -8.572 11.995 -13.958 1.00 1.00 H +ATOM 473 HB3 PHE A 33 -7.985 11.117 -15.356 1.00 1.00 H +ATOM 474 HD1 PHE A 33 -11.007 13.214 -14.668 1.00 1.00 H +ATOM 475 HD2 PHE A 33 -7.649 12.496 -17.160 1.00 1.00 H +ATOM 476 HE1 PHE A 33 -11.703 15.114 -16.153 1.00 1.00 H +ATOM 477 HE2 PHE A 33 -8.345 14.396 -18.645 1.00 1.00 H +ATOM 478 HZ PHE A 33 -10.364 15.682 -18.124 1.00 1.00 H +ATOM 479 N LEU A 34 -9.159 8.422 -13.879 1.00 1.00 N +ATOM 480 CA LEU A 34 -8.753 7.464 -12.865 1.00 1.00 C +ATOM 481 C LEU A 34 -7.410 6.846 -13.263 1.00 1.00 C +ATOM 482 O LEU A 34 -7.357 5.971 -14.125 1.00 1.00 O +ATOM 483 CB LEU A 34 -9.858 6.433 -12.630 1.00 1.00 C +ATOM 484 CG LEU A 34 -11.015 6.449 -13.632 1.00 1.00 C +ATOM 485 CD1 LEU A 34 -11.635 5.058 -13.776 1.00 1.00 C +ATOM 486 CD2 LEU A 34 -12.056 7.504 -13.250 1.00 1.00 C +ATOM 487 H LEU A 34 -9.112 8.088 -14.821 1.00 1.00 H +ATOM 488 HA LEU A 34 -8.618 8.012 -11.932 1.00 1.00 H +ATOM 489 HB2 LEU A 34 -9.411 5.440 -12.639 1.00 1.00 H +ATOM 490 HB3 LEU A 34 -10.267 6.589 -11.631 1.00 1.00 H +ATOM 491 HG LEU A 34 -10.618 6.727 -14.607 1.00 1.00 H +ATOM 492 HD11 LEU A 34 -10.856 4.337 -14.024 1.00 1.00 H +ATOM 493 HD12 LEU A 34 -12.107 4.771 -12.836 1.00 1.00 H +ATOM 494 HD13 LEU A 34 -12.382 5.074 -14.568 1.00 1.00 H +ATOM 495 HD21 LEU A 34 -11.577 8.297 -12.676 1.00 1.00 H +ATOM 496 HD22 LEU A 34 -12.495 7.924 -14.154 1.00 1.00 H +ATOM 497 HD23 LEU A 34 -12.839 7.041 -12.648 1.00 1.00 H +ATOM 498 N VAL A 35 -6.360 7.325 -12.613 1.00 1.00 N +ATOM 499 CA VAL A 35 -5.021 6.830 -12.887 1.00 1.00 C +ATOM 500 C VAL A 35 -4.927 5.364 -12.462 1.00 1.00 C +ATOM 501 O VAL A 35 -5.530 4.961 -11.468 1.00 1.00 O +ATOM 502 CB VAL A 35 -3.983 7.720 -12.200 1.00 1.00 C +ATOM 503 CG1 VAL A 35 -2.582 7.115 -12.311 1.00 1.00 C +ATOM 504 CG2 VAL A 35 -4.014 9.139 -12.769 1.00 1.00 C +ATOM 505 H VAL A 35 -6.413 8.035 -11.911 1.00 1.00 H +ATOM 506 HA VAL A 35 -4.861 6.894 -13.963 1.00 1.00 H +ATOM 507 HB VAL A 35 -4.241 7.778 -11.141 1.00 1.00 H +ATOM 508 HG11 VAL A 35 -2.497 6.568 -13.250 1.00 1.00 H +ATOM 509 HG12 VAL A 35 -1.839 7.911 -12.284 1.00 1.00 H +ATOM 510 HG13 VAL A 35 -2.414 6.433 -11.477 1.00 1.00 H +ATOM 511 HG21 VAL A 35 -4.273 9.100 -13.827 1.00 1.00 H +ATOM 512 HG22 VAL A 35 -4.761 9.729 -12.235 1.00 1.00 H +ATOM 513 HG23 VAL A 35 -3.034 9.600 -12.651 1.00 1.00 H +ATOM 514 N ARG A 36 -4.164 4.604 -13.234 1.00 1.00 N +ATOM 515 CA ARG A 36 -3.984 3.191 -12.949 1.00 1.00 C +ATOM 516 C ARG A 36 -2.542 2.917 -12.517 1.00 1.00 C +ATOM 517 O ARG A 36 -1.719 3.830 -12.473 1.00 1.00 O +ATOM 518 CB ARG A 36 -4.313 2.335 -14.175 1.00 1.00 C +ATOM 519 CG ARG A 36 -5.665 1.638 -14.010 1.00 1.00 C +ATOM 520 CD ARG A 36 -6.802 2.516 -14.536 1.00 1.00 C +ATOM 521 NE ARG A 36 -8.108 1.921 -14.176 1.00 1.00 N +ATOM 522 CZ ARG A 36 -8.583 0.782 -14.698 1.00 1.00 C +ATOM 523 NH1 ARG A 36 -7.863 0.108 -15.604 1.00 1.00 N +ATOM 524 NH2 ARG A 36 -9.780 0.315 -14.312 1.00 1.00 N +ATOM 525 H ARG A 36 -3.676 4.938 -14.040 1.00 1.00 H +ATOM 526 HA ARG A 36 -4.683 2.977 -12.140 1.00 1.00 H +ATOM 527 HB2 ARG A 36 -4.330 2.963 -15.066 1.00 1.00 H +ATOM 528 HB3 ARG A 36 -3.531 1.591 -14.324 1.00 1.00 H +ATOM 529 HG2 ARG A 36 -5.655 0.688 -14.546 1.00 1.00 H +ATOM 530 HG3 ARG A 36 -5.834 1.409 -12.958 1.00 1.00 H +ATOM 531 HD2 ARG A 36 -6.723 3.519 -14.115 1.00 1.00 H +ATOM 532 HD3 ARG A 36 -6.724 2.617 -15.618 1.00 1.00 H +ATOM 533 HE ARG A 36 -8.672 2.398 -13.502 1.00 1.00 H +ATOM 534 HH11 ARG A 36 -6.971 0.456 -15.893 1.00 1.00 H +ATOM 535 HH12 ARG A 36 -8.218 -0.741 -15.994 1.00 1.00 H +ATOM 536 HH21 ARG A 36 -10.318 0.819 -13.634 1.00 1.00 H +ATOM 537 HH22 ARG A 36 -10.135 -0.534 -14.702 1.00 1.00 H +ATOM 538 N GLU A 37 -2.279 1.655 -12.210 1.00 1.00 N +ATOM 539 CA GLU A 37 -0.951 1.249 -11.783 1.00 1.00 C +ATOM 540 C GLU A 37 -0.355 0.251 -12.778 1.00 1.00 C +ATOM 541 O GLU A 37 -1.061 -0.261 -13.647 1.00 1.00 O +ATOM 542 CB GLU A 37 -0.984 0.661 -10.370 1.00 1.00 C +ATOM 543 CG GLU A 37 -1.557 -0.758 -10.380 1.00 1.00 C +ATOM 544 CD GLU A 37 -0.598 -1.739 -9.704 1.00 1.00 C +ATOM 545 OE1 GLU A 37 -0.513 -1.681 -8.458 1.00 1.00 O +ATOM 546 OE2 GLU A 37 0.026 -2.527 -10.446 1.00 1.00 O +ATOM 547 H GLU A 37 -2.954 0.918 -12.249 1.00 1.00 H +ATOM 548 HA GLU A 37 -0.356 2.163 -11.776 1.00 1.00 H +ATOM 549 HB2 GLU A 37 0.023 0.648 -9.955 1.00 1.00 H +ATOM 550 HB3 GLU A 37 -1.589 1.297 -9.724 1.00 1.00 H +ATOM 551 HG2 GLU A 37 -2.518 -0.769 -9.868 1.00 1.00 H +ATOM 552 HG3 GLU A 37 -1.739 -1.072 -11.407 1.00 1.00 H +ATOM 553 N SER A 38 0.936 0.004 -12.619 1.00 1.00 N +ATOM 554 CA SER A 38 1.635 -0.924 -13.491 1.00 1.00 C +ATOM 555 C SER A 38 0.763 -2.153 -13.753 1.00 1.00 C +ATOM 556 O SER A 38 0.167 -2.704 -12.829 1.00 1.00 O +ATOM 557 CB SER A 38 2.977 -1.344 -12.889 1.00 1.00 C +ATOM 558 OG SER A 38 2.898 -1.514 -11.477 1.00 1.00 O +ATOM 559 H SER A 38 1.502 0.425 -11.910 1.00 1.00 H +ATOM 560 HA SER A 38 1.809 -0.374 -14.416 1.00 1.00 H +ATOM 561 HB2 SER A 38 3.305 -2.277 -13.349 1.00 1.00 H +ATOM 562 HB3 SER A 38 3.730 -0.592 -13.121 1.00 1.00 H +ATOM 563 HG SER A 38 3.496 -0.856 -11.018 1.00 1.00 H +ATOM 564 N GLU A 39 0.716 -2.548 -15.018 1.00 1.00 N +ATOM 565 CA GLU A 39 -0.073 -3.703 -15.413 1.00 1.00 C +ATOM 566 C GLU A 39 0.841 -4.832 -15.890 1.00 1.00 C +ATOM 567 O GLU A 39 0.542 -6.007 -15.682 1.00 1.00 O +ATOM 568 CB GLU A 39 -1.090 -3.328 -16.492 1.00 1.00 C +ATOM 569 CG GLU A 39 -2.153 -4.418 -16.647 1.00 1.00 C +ATOM 570 CD GLU A 39 -2.272 -5.251 -15.370 1.00 1.00 C +ATOM 571 OE1 GLU A 39 -2.834 -4.714 -14.391 1.00 1.00 O +ATOM 572 OE2 GLU A 39 -1.800 -6.409 -15.400 1.00 1.00 O +ATOM 573 H GLU A 39 1.205 -2.095 -15.763 1.00 1.00 H +ATOM 574 HA GLU A 39 -0.605 -4.011 -14.513 1.00 1.00 H +ATOM 575 HB2 GLU A 39 -1.570 -2.383 -16.233 1.00 1.00 H +ATOM 576 HB3 GLU A 39 -0.579 -3.175 -17.442 1.00 1.00 H +ATOM 577 HG2 GLU A 39 -3.115 -3.963 -16.881 1.00 1.00 H +ATOM 578 HG3 GLU A 39 -1.894 -5.065 -17.486 1.00 1.00 H +ATOM 579 N SER A 40 1.937 -4.438 -16.521 1.00 1.00 N +ATOM 580 CA SER A 40 2.897 -5.402 -17.029 1.00 1.00 C +ATOM 581 C SER A 40 4.294 -5.086 -16.489 1.00 1.00 C +ATOM 582 O SER A 40 5.067 -5.994 -16.188 1.00 1.00 O +ATOM 583 CB SER A 40 2.909 -5.413 -18.559 1.00 1.00 C +ATOM 584 OG SER A 40 1.611 -5.632 -19.102 1.00 1.00 O +ATOM 585 H SER A 40 2.174 -3.479 -16.685 1.00 1.00 H +ATOM 586 HA SER A 40 2.556 -6.370 -16.662 1.00 1.00 H +ATOM 587 HB2 SER A 40 3.301 -4.463 -18.925 1.00 1.00 H +ATOM 588 HB3 SER A 40 3.586 -6.192 -18.910 1.00 1.00 H +ATOM 589 HG SER A 40 1.633 -6.399 -19.744 1.00 1.00 H +ATOM 590 N SER A 41 4.574 -3.795 -16.383 1.00 1.00 N +ATOM 591 CA SER A 41 5.863 -3.348 -15.885 1.00 1.00 C +ATOM 592 C SER A 41 5.696 -2.696 -14.510 1.00 1.00 C +ATOM 593 O SER A 41 5.020 -1.675 -14.382 1.00 1.00 O +ATOM 594 CB SER A 41 6.522 -2.369 -16.860 1.00 1.00 C +ATOM 595 OG SER A 41 7.861 -2.061 -16.483 1.00 1.00 O +ATOM 596 H SER A 41 3.939 -3.063 -16.629 1.00 1.00 H +ATOM 597 HA SER A 41 6.472 -4.248 -15.808 1.00 1.00 H +ATOM 598 HB2 SER A 41 6.517 -2.798 -17.862 1.00 1.00 H +ATOM 599 HB3 SER A 41 5.935 -1.451 -16.904 1.00 1.00 H +ATOM 600 HG SER A 41 7.906 -1.133 -16.114 1.00 1.00 H +ATOM 601 N PRO A 42 6.338 -3.327 -13.492 1.00 1.00 N +ATOM 602 CA PRO A 42 6.267 -2.819 -12.133 1.00 1.00 C +ATOM 603 C PRO A 42 7.146 -1.579 -11.964 1.00 1.00 C +ATOM 604 O PRO A 42 8.343 -1.692 -11.702 1.00 1.00 O +ATOM 605 CB PRO A 42 6.705 -3.981 -11.255 1.00 1.00 C +ATOM 606 CG PRO A 42 7.445 -4.940 -12.172 1.00 1.00 C +ATOM 607 CD PRO A 42 7.147 -4.537 -13.607 1.00 1.00 C +ATOM 608 HA PRO A 42 5.335 -2.524 -11.920 1.00 1.00 H +ATOM 609 HB2 PRO A 42 7.349 -3.638 -10.446 1.00 1.00 H +ATOM 610 HB3 PRO A 42 5.845 -4.466 -10.793 1.00 1.00 H +ATOM 611 HG2 PRO A 42 8.517 -4.900 -11.981 1.00 1.00 H +ATOM 612 HG3 PRO A 42 7.127 -5.967 -11.990 1.00 1.00 H +ATOM 613 HD2 PRO A 42 8.064 -4.349 -14.163 1.00 1.00 H +ATOM 614 HD3 PRO A 42 6.609 -5.324 -14.136 1.00 1.00 H +ATOM 615 N GLY A 43 6.520 -0.422 -12.121 1.00 1.00 N +ATOM 616 CA GLY A 43 7.230 0.838 -11.989 1.00 1.00 C +ATOM 617 C GLY A 43 6.528 1.948 -12.777 1.00 1.00 C +ATOM 618 O GLY A 43 6.740 3.130 -12.511 1.00 1.00 O +ATOM 619 H GLY A 43 5.546 -0.338 -12.334 1.00 1.00 H +ATOM 620 HA2 GLY A 43 7.291 1.117 -10.938 1.00 1.00 H +ATOM 621 HA3 GLY A 43 8.252 0.723 -12.350 1.00 1.00 H +ATOM 622 N GLN A 44 5.707 1.527 -13.726 1.00 1.00 N +ATOM 623 CA GLN A 44 4.974 2.471 -14.554 1.00 1.00 C +ATOM 624 C GLN A 44 3.483 2.427 -14.212 1.00 1.00 C +ATOM 625 O GLN A 44 2.994 1.437 -13.670 1.00 1.00 O +ATOM 626 CB GLN A 44 5.203 2.191 -16.040 1.00 1.00 C +ATOM 627 CG GLN A 44 5.235 0.687 -16.318 1.00 1.00 C +ATOM 628 CD GLN A 44 4.605 0.366 -17.672 1.00 1.00 C +ATOM 629 OE1 GLN A 44 3.651 -0.389 -17.780 1.00 1.00 O +ATOM 630 NE2 GLN A 44 5.185 0.980 -18.699 1.00 1.00 N +ATOM 631 H GLN A 44 5.540 0.563 -13.935 1.00 1.00 H +ATOM 632 HA GLN A 44 5.382 3.450 -14.306 1.00 1.00 H +ATOM 633 HB2 GLN A 44 4.413 2.656 -16.629 1.00 1.00 H +ATOM 634 HB3 GLN A 44 6.144 2.643 -16.356 1.00 1.00 H +ATOM 635 HG2 GLN A 44 6.266 0.332 -16.300 1.00 1.00 H +ATOM 636 HG3 GLN A 44 4.702 0.157 -15.529 1.00 1.00 H +ATOM 637 HE21 GLN A 44 5.963 1.588 -18.544 1.00 1.00 H +ATOM 638 HE22 GLN A 44 4.843 0.834 -19.628 1.00 1.00 H +ATOM 639 N ARG A 45 2.800 3.513 -14.544 1.00 1.00 N +ATOM 640 CA ARG A 45 1.375 3.611 -14.280 1.00 1.00 C +ATOM 641 C ARG A 45 0.626 4.024 -15.550 1.00 1.00 C +ATOM 642 O ARG A 45 1.211 4.622 -16.452 1.00 1.00 O +ATOM 643 CB ARG A 45 1.089 4.631 -13.175 1.00 1.00 C +ATOM 644 CG ARG A 45 -0.085 5.536 -13.553 1.00 1.00 C +ATOM 645 CD ARG A 45 0.354 6.619 -14.539 1.00 1.00 C +ATOM 646 NE ARG A 45 -0.338 7.891 -14.233 1.00 1.00 N +ATOM 647 CZ ARG A 45 0.288 9.065 -14.063 1.00 1.00 C +ATOM 648 NH1 ARG A 45 1.622 9.134 -14.168 1.00 1.00 N +ATOM 649 NH2 ARG A 45 -0.421 10.168 -13.789 1.00 1.00 N +ATOM 650 H ARG A 45 3.205 4.315 -14.986 1.00 1.00 H +ATOM 651 HA ARG A 45 1.081 2.612 -13.959 1.00 1.00 H +ATOM 652 HB2 ARG A 45 0.866 4.108 -12.243 1.00 1.00 H +ATOM 653 HB3 ARG A 45 1.977 5.236 -12.995 1.00 1.00 H +ATOM 654 HG2 ARG A 45 -0.881 4.937 -13.995 1.00 1.00 H +ATOM 655 HG3 ARG A 45 -0.495 5.999 -12.656 1.00 1.00 H +ATOM 656 HD2 ARG A 45 1.433 6.760 -14.481 1.00 1.00 H +ATOM 657 HD3 ARG A 45 0.127 6.308 -15.560 1.00 1.00 H +ATOM 658 HE ARG A 45 -1.333 7.874 -14.148 1.00 1.00 H +ATOM 659 HH11 ARG A 45 2.151 8.311 -14.374 1.00 1.00 H +ATOM 660 HH12 ARG A 45 2.087 10.010 -14.042 1.00 1.00 H +ATOM 661 HH21 ARG A 45 -1.417 10.116 -13.710 1.00 1.00 H +ATOM 662 HH22 ARG A 45 0.044 11.043 -13.662 1.00 1.00 H +ATOM 663 N SER A 46 -0.654 3.688 -15.578 1.00 1.00 N +ATOM 664 CA SER A 46 -1.488 4.015 -16.721 1.00 1.00 C +ATOM 665 C SER A 46 -2.437 5.162 -16.367 1.00 1.00 C +ATOM 666 O SER A 46 -2.475 5.609 -15.221 1.00 1.00 O +ATOM 667 CB SER A 46 -2.284 2.795 -17.192 1.00 1.00 C +ATOM 668 OG SER A 46 -3.689 3.019 -17.136 1.00 1.00 O +ATOM 669 H SER A 46 -1.122 3.201 -14.840 1.00 1.00 H +ATOM 670 HA SER A 46 -0.796 4.321 -17.507 1.00 1.00 H +ATOM 671 HB2 SER A 46 -1.996 2.547 -18.213 1.00 1.00 H +ATOM 672 HB3 SER A 46 -2.029 1.936 -16.572 1.00 1.00 H +ATOM 673 HG SER A 46 -4.164 2.369 -17.729 1.00 1.00 H +ATOM 674 N ILE A 47 -3.181 5.606 -17.370 1.00 1.00 N +ATOM 675 CA ILE A 47 -4.128 6.690 -17.178 1.00 1.00 C +ATOM 676 C ILE A 47 -5.462 6.318 -17.827 1.00 1.00 C +ATOM 677 O ILE A 47 -5.500 5.914 -18.987 1.00 1.00 O +ATOM 678 CB ILE A 47 -3.541 8.008 -17.689 1.00 1.00 C +ATOM 679 CG1 ILE A 47 -3.663 9.109 -16.633 1.00 1.00 C +ATOM 680 CG2 ILE A 47 -4.182 8.415 -19.017 1.00 1.00 C +ATOM 681 CD1 ILE A 47 -2.295 9.712 -16.308 1.00 1.00 C +ATOM 682 H ILE A 47 -3.144 5.235 -18.299 1.00 1.00 H +ATOM 683 HA ILE A 47 -4.282 6.803 -16.105 1.00 1.00 H +ATOM 684 HB ILE A 47 -2.477 7.859 -17.878 1.00 1.00 H +ATOM 685 HG12 ILE A 47 -4.333 9.889 -16.992 1.00 1.00 H +ATOM 686 HG13 ILE A 47 -4.108 8.699 -15.726 1.00 1.00 H +ATOM 687 HG21 ILE A 47 -5.266 8.411 -18.913 1.00 1.00 H +ATOM 688 HG22 ILE A 47 -3.846 9.415 -19.292 1.00 1.00 H +ATOM 689 HG23 ILE A 47 -3.889 7.708 -19.793 1.00 1.00 H +ATOM 690 HD11 ILE A 47 -1.605 9.512 -17.129 1.00 1.00 H +ATOM 691 HD12 ILE A 47 -2.395 10.789 -16.174 1.00 1.00 H +ATOM 692 HD13 ILE A 47 -1.909 9.266 -15.393 1.00 1.00 H +ATOM 693 N SER A 48 -6.523 6.469 -17.048 1.00 1.00 N +ATOM 694 CA SER A 48 -7.857 6.154 -17.533 1.00 1.00 C +ATOM 695 C SER A 48 -8.746 7.397 -17.461 1.00 1.00 C +ATOM 696 O SER A 48 -9.530 7.551 -16.526 1.00 1.00 O +ATOM 697 CB SER A 48 -8.479 5.010 -16.729 1.00 1.00 C +ATOM 698 OG SER A 48 -9.128 5.477 -15.550 1.00 1.00 O +ATOM 699 H SER A 48 -6.483 6.798 -16.105 1.00 1.00 H +ATOM 700 HA SER A 48 -7.721 5.839 -18.566 1.00 1.00 H +ATOM 701 HB2 SER A 48 -9.197 4.478 -17.352 1.00 1.00 H +ATOM 702 HB3 SER A 48 -7.703 4.295 -16.457 1.00 1.00 H +ATOM 703 HG SER A 48 -9.076 4.781 -14.832 1.00 1.00 H +ATOM 704 N LEU A 49 -8.595 8.252 -18.462 1.00 1.00 N +ATOM 705 CA LEU A 49 -9.375 9.477 -18.524 1.00 1.00 C +ATOM 706 C LEU A 49 -10.780 9.154 -19.035 1.00 1.00 C +ATOM 707 O LEU A 49 -10.973 8.181 -19.762 1.00 1.00 O +ATOM 708 CB LEU A 49 -8.646 10.534 -19.356 1.00 1.00 C +ATOM 709 CG LEU A 49 -8.114 10.071 -20.714 1.00 1.00 C +ATOM 710 CD1 LEU A 49 -8.880 10.738 -21.859 1.00 1.00 C +ATOM 711 CD2 LEU A 49 -6.606 10.303 -20.821 1.00 1.00 C +ATOM 712 H LEU A 49 -7.954 8.119 -19.218 1.00 1.00 H +ATOM 713 HA LEU A 49 -9.455 9.865 -17.509 1.00 1.00 H +ATOM 714 HB2 LEU A 49 -9.324 11.370 -19.519 1.00 1.00 H +ATOM 715 HB3 LEU A 49 -7.806 10.913 -18.771 1.00 1.00 H +ATOM 716 HG LEU A 49 -8.282 8.997 -20.798 1.00 1.00 H +ATOM 717 HD11 LEU A 49 -9.321 11.670 -21.506 1.00 1.00 H +ATOM 718 HD12 LEU A 49 -8.195 10.948 -22.680 1.00 1.00 H +ATOM 719 HD13 LEU A 49 -9.670 10.071 -22.206 1.00 1.00 H +ATOM 720 HD21 LEU A 49 -6.298 11.038 -20.079 1.00 1.00 H +ATOM 721 HD22 LEU A 49 -6.081 9.364 -20.643 1.00 1.00 H +ATOM 722 HD23 LEU A 49 -6.365 10.670 -21.819 1.00 1.00 H +ATOM 723 N ARG A 50 -11.726 9.992 -18.633 1.00 1.00 N +ATOM 724 CA ARG A 50 -13.109 9.808 -19.041 1.00 1.00 C +ATOM 725 C ARG A 50 -13.611 11.047 -19.786 1.00 1.00 C +ATOM 726 O ARG A 50 -13.457 12.169 -19.306 1.00 1.00 O +ATOM 727 CB ARG A 50 -14.010 9.549 -17.832 1.00 1.00 C +ATOM 728 CG ARG A 50 -15.416 9.137 -18.274 1.00 1.00 C +ATOM 729 CD ARG A 50 -16.432 10.236 -17.961 1.00 1.00 C +ATOM 730 NE ARG A 50 -17.676 9.638 -17.427 1.00 1.00 N +ATOM 731 CZ ARG A 50 -18.795 9.462 -18.144 1.00 1.00 C +ATOM 732 NH1 ARG A 50 -18.832 9.841 -19.429 1.00 1.00 N +ATOM 733 NH2 ARG A 50 -19.876 8.911 -17.576 1.00 1.00 N +ATOM 734 H ARG A 50 -11.561 10.781 -18.043 1.00 1.00 H +ATOM 735 HA ARG A 50 -13.093 8.936 -19.695 1.00 1.00 H +ATOM 736 HB2 ARG A 50 -13.575 8.765 -17.212 1.00 1.00 H +ATOM 737 HB3 ARG A 50 -14.067 10.447 -17.216 1.00 1.00 H +ATOM 738 HG2 ARG A 50 -15.417 8.929 -19.344 1.00 1.00 H +ATOM 739 HG3 ARG A 50 -15.704 8.215 -17.769 1.00 1.00 H +ATOM 740 HD2 ARG A 50 -16.015 10.934 -17.235 1.00 1.00 H +ATOM 741 HD3 ARG A 50 -16.653 10.808 -18.862 1.00 1.00 H +ATOM 742 HE ARG A 50 -17.682 9.344 -16.470 1.00 1.00 H +ATOM 743 HH11 ARG A 50 -18.025 10.252 -19.851 1.00 1.00 H +ATOM 744 HH12 ARG A 50 -19.666 9.710 -19.964 1.00 1.00 H +ATOM 745 HH21 ARG A 50 -19.847 8.629 -16.617 1.00 1.00 H +ATOM 746 HH22 ARG A 50 -20.710 8.781 -18.112 1.00 1.00 H +ATOM 747 N TYR A 51 -14.201 10.801 -20.946 1.00 1.00 N +ATOM 748 CA TYR A 51 -14.728 11.882 -21.763 1.00 1.00 C +ATOM 749 C TYR A 51 -16.245 11.764 -21.916 1.00 1.00 C +ATOM 750 O TYR A 51 -16.923 11.236 -21.037 1.00 1.00 O +ATOM 751 CB TYR A 51 -14.073 11.730 -23.137 1.00 1.00 C +ATOM 752 CG TYR A 51 -13.475 13.025 -23.689 1.00 1.00 C +ATOM 753 CD1 TYR A 51 -12.646 13.793 -22.897 1.00 1.00 C +ATOM 754 CD2 TYR A 51 -13.764 13.426 -24.977 1.00 1.00 C +ATOM 755 CE1 TYR A 51 -12.082 15.013 -23.416 1.00 1.00 C +ATOM 756 CE2 TYR A 51 -13.200 14.644 -25.496 1.00 1.00 C +ATOM 757 CZ TYR A 51 -12.387 15.378 -24.690 1.00 1.00 C +ATOM 758 OH TYR A 51 -11.855 16.530 -25.180 1.00 1.00 O +ATOM 759 H TYR A 51 -14.322 9.886 -21.329 1.00 1.00 H +ATOM 760 HA TYR A 51 -14.492 12.824 -21.265 1.00 1.00 H +ATOM 761 HB2 TYR A 51 -13.288 10.977 -23.073 1.00 1.00 H +ATOM 762 HB3 TYR A 51 -14.816 11.355 -23.841 1.00 1.00 H +ATOM 763 HD1 TYR A 51 -12.416 13.478 -21.878 1.00 1.00 H +ATOM 764 HD2 TYR A 51 -14.420 12.818 -25.603 1.00 1.00 H +ATOM 765 HE1 TYR A 51 -11.425 15.629 -22.802 1.00 1.00 H +ATOM 766 HE2 TYR A 51 -13.420 14.972 -26.513 1.00 1.00 H +ATOM 767 HH TYR A 51 -11.530 16.385 -26.114 1.00 1.00 H +ATOM 768 N GLU A 52 -16.734 12.265 -23.041 1.00 1.00 N +ATOM 769 CA GLU A 52 -18.159 12.224 -23.322 1.00 1.00 C +ATOM 770 C GLU A 52 -18.610 10.782 -23.569 1.00 1.00 C +ATOM 771 O GLU A 52 -19.137 10.467 -24.633 1.00 1.00 O +ATOM 772 CB GLU A 52 -18.510 13.118 -24.512 1.00 1.00 C +ATOM 773 CG GLU A 52 -17.852 12.608 -25.796 1.00 1.00 C +ATOM 774 CD GLU A 52 -18.907 12.178 -26.818 1.00 1.00 C +ATOM 775 OE1 GLU A 52 -19.697 13.057 -27.222 1.00 1.00 O +ATOM 776 OE2 GLU A 52 -18.900 10.979 -27.171 1.00 1.00 O +ATOM 777 H GLU A 52 -16.176 12.694 -23.752 1.00 1.00 H +ATOM 778 HA GLU A 52 -18.643 12.615 -22.427 1.00 1.00 H +ATOM 779 HB2 GLU A 52 -19.592 13.151 -24.641 1.00 1.00 H +ATOM 780 HB3 GLU A 52 -18.183 14.140 -24.314 1.00 1.00 H +ATOM 781 HG2 GLU A 52 -17.224 13.388 -26.223 1.00 1.00 H +ATOM 782 HG3 GLU A 52 -17.202 11.765 -25.564 1.00 1.00 H +ATOM 783 N GLY A 53 -18.383 9.947 -22.566 1.00 1.00 N +ATOM 784 CA GLY A 53 -18.758 8.546 -22.661 1.00 1.00 C +ATOM 785 C GLY A 53 -17.625 7.714 -23.262 1.00 1.00 C +ATOM 786 O GLY A 53 -17.771 6.508 -23.460 1.00 1.00 O +ATOM 787 H GLY A 53 -17.952 10.211 -21.704 1.00 1.00 H +ATOM 788 HA2 GLY A 53 -19.008 8.165 -21.671 1.00 1.00 H +ATOM 789 HA3 GLY A 53 -19.653 8.446 -23.275 1.00 1.00 H +ATOM 790 N ARG A 54 -16.518 8.389 -23.538 1.00 1.00 N +ATOM 791 CA ARG A 54 -15.360 7.728 -24.113 1.00 1.00 C +ATOM 792 C ARG A 54 -14.224 7.661 -23.090 1.00 1.00 C +ATOM 793 O ARG A 54 -13.846 8.678 -22.510 1.00 1.00 O +ATOM 794 CB ARG A 54 -14.870 8.462 -25.363 1.00 1.00 C +ATOM 795 CG ARG A 54 -15.084 7.614 -26.617 1.00 1.00 C +ATOM 796 CD ARG A 54 -16.562 7.577 -27.010 1.00 1.00 C +ATOM 797 NE ARG A 54 -16.696 7.631 -28.483 1.00 1.00 N +ATOM 798 CZ ARG A 54 -17.794 8.059 -29.121 1.00 1.00 C +ATOM 799 NH1 ARG A 54 -18.859 8.473 -28.420 1.00 1.00 N +ATOM 800 NH2 ARG A 54 -17.827 8.074 -30.460 1.00 1.00 N +ATOM 801 H ARG A 54 -16.407 9.370 -23.375 1.00 1.00 H +ATOM 802 HA ARG A 54 -15.711 6.729 -24.375 1.00 1.00 H +ATOM 803 HB2 ARG A 54 -15.402 9.408 -25.465 1.00 1.00 H +ATOM 804 HB3 ARG A 54 -13.811 8.702 -25.257 1.00 1.00 H +ATOM 805 HG2 ARG A 54 -14.496 8.020 -27.441 1.00 1.00 H +ATOM 806 HG3 ARG A 54 -14.726 6.599 -26.440 1.00 1.00 H +ATOM 807 HD2 ARG A 54 -17.025 6.667 -26.628 1.00 1.00 H +ATOM 808 HD3 ARG A 54 -17.088 8.417 -26.556 1.00 1.00 H +ATOM 809 HE ARG A 54 -15.920 7.329 -29.035 1.00 1.00 H +ATOM 810 HH11 ARG A 54 -18.835 8.461 -27.420 1.00 1.00 H +ATOM 811 HH12 ARG A 54 -19.678 8.792 -28.897 1.00 1.00 H +ATOM 812 HH21 ARG A 54 -17.032 7.765 -30.984 1.00 1.00 H +ATOM 813 HH22 ARG A 54 -18.645 8.393 -30.937 1.00 1.00 H +ATOM 814 N VAL A 55 -13.711 6.454 -22.901 1.00 1.00 N +ATOM 815 CA VAL A 55 -12.626 6.242 -21.958 1.00 1.00 C +ATOM 816 C VAL A 55 -11.342 5.933 -22.728 1.00 1.00 C +ATOM 817 O VAL A 55 -11.315 5.035 -23.566 1.00 1.00 O +ATOM 818 CB VAL A 55 -13.006 5.143 -20.963 1.00 1.00 C +ATOM 819 CG1 VAL A 55 -12.202 5.276 -19.667 1.00 1.00 C +ATOM 820 CG2 VAL A 55 -14.508 5.157 -20.680 1.00 1.00 C +ATOM 821 H VAL A 55 -14.025 5.633 -23.376 1.00 1.00 H +ATOM 822 HA VAL A 55 -12.488 7.169 -21.402 1.00 1.00 H +ATOM 823 HB VAL A 55 -12.758 4.183 -21.414 1.00 1.00 H +ATOM 824 HG11 VAL A 55 -12.148 6.326 -19.379 1.00 1.00 H +ATOM 825 HG12 VAL A 55 -12.689 4.707 -18.876 1.00 1.00 H +ATOM 826 HG13 VAL A 55 -11.194 4.891 -19.824 1.00 1.00 H +ATOM 827 HG21 VAL A 55 -14.852 6.186 -20.586 1.00 1.00 H +ATOM 828 HG22 VAL A 55 -15.037 4.669 -21.498 1.00 1.00 H +ATOM 829 HG23 VAL A 55 -14.707 4.620 -19.750 1.00 1.00 H +ATOM 830 N TYR A 56 -10.305 6.698 -22.415 1.00 1.00 N +ATOM 831 CA TYR A 56 -9.019 6.517 -23.067 1.00 1.00 C +ATOM 832 C TYR A 56 -7.999 5.899 -22.108 1.00 1.00 C +ATOM 833 O TYR A 56 -7.753 6.433 -21.030 1.00 1.00 O +ATOM 834 CB TYR A 56 -8.545 7.919 -23.461 1.00 1.00 C +ATOM 835 CG TYR A 56 -9.462 8.628 -24.458 1.00 1.00 C +ATOM 836 CD1 TYR A 56 -10.706 9.075 -24.055 1.00 1.00 C +ATOM 837 CD2 TYR A 56 -9.048 8.822 -25.760 1.00 1.00 C +ATOM 838 CE1 TYR A 56 -11.568 9.743 -24.994 1.00 1.00 C +ATOM 839 CE2 TYR A 56 -9.912 9.491 -26.698 1.00 1.00 C +ATOM 840 CZ TYR A 56 -11.130 9.918 -26.269 1.00 1.00 C +ATOM 841 OH TYR A 56 -11.945 10.550 -27.156 1.00 1.00 O +ATOM 842 H TYR A 56 -10.333 7.428 -21.731 1.00 1.00 H +ATOM 843 HA TYR A 56 -9.162 5.848 -23.916 1.00 1.00 H +ATOM 844 HB2 TYR A 56 -8.462 8.529 -22.562 1.00 1.00 H +ATOM 845 HB3 TYR A 56 -7.545 7.846 -23.890 1.00 1.00 H +ATOM 846 HD1 TYR A 56 -11.032 8.921 -23.027 1.00 1.00 H +ATOM 847 HD2 TYR A 56 -8.066 8.470 -26.078 1.00 1.00 H +ATOM 848 HE1 TYR A 56 -12.552 10.099 -24.689 1.00 1.00 H +ATOM 849 HE2 TYR A 56 -9.597 9.650 -27.729 1.00 1.00 H +ATOM 850 HH TYR A 56 -12.082 9.975 -27.964 1.00 1.00 H +ATOM 851 N HIS A 57 -7.435 4.779 -22.538 1.00 1.00 N +ATOM 852 CA HIS A 57 -6.448 4.081 -21.731 1.00 1.00 C +ATOM 853 C HIS A 57 -5.091 4.113 -22.439 1.00 1.00 C +ATOM 854 O HIS A 57 -4.899 3.437 -23.448 1.00 1.00 O +ATOM 855 CB HIS A 57 -6.917 2.662 -21.408 1.00 1.00 C +ATOM 856 CG HIS A 57 -8.118 2.604 -20.496 1.00 1.00 C +ATOM 857 ND1 HIS A 57 -9.243 1.849 -20.783 1.00 1.00 N +ATOM 858 CD2 HIS A 57 -8.358 3.213 -19.299 1.00 1.00 C +ATOM 859 CE1 HIS A 57 -10.114 2.005 -19.798 1.00 1.00 C +ATOM 860 NE2 HIS A 57 -9.564 2.851 -18.878 1.00 1.00 N +ATOM 861 H HIS A 57 -7.641 4.351 -23.418 1.00 1.00 H +ATOM 862 HA HIS A 57 -6.370 4.628 -20.791 1.00 1.00 H +ATOM 863 HB2 HIS A 57 -7.156 2.148 -22.340 1.00 1.00 H +ATOM 864 HB3 HIS A 57 -6.094 2.115 -20.945 1.00 1.00 H +ATOM 865 HD1 HIS A 57 -9.374 1.283 -21.597 1.00 1.00 H +ATOM 866 HD2 HIS A 57 -7.676 3.882 -18.776 1.00 1.00 H +ATOM 867 HE1 HIS A 57 -11.097 1.540 -19.732 1.00 1.00 H +ATOM 868 N TYR A 58 -4.187 4.903 -21.881 1.00 1.00 N +ATOM 869 CA TYR A 58 -2.854 5.032 -22.446 1.00 1.00 C +ATOM 870 C TYR A 58 -1.782 4.787 -21.382 1.00 1.00 C +ATOM 871 O TYR A 58 -1.807 5.401 -20.317 1.00 1.00 O +ATOM 872 CB TYR A 58 -2.744 6.474 -22.943 1.00 1.00 C +ATOM 873 CG TYR A 58 -2.800 6.614 -24.465 1.00 1.00 C +ATOM 874 CD1 TYR A 58 -3.974 6.347 -25.139 1.00 1.00 C +ATOM 875 CD2 TYR A 58 -1.677 7.006 -25.165 1.00 1.00 C +ATOM 876 CE1 TYR A 58 -4.028 6.480 -26.573 1.00 1.00 C +ATOM 877 CE2 TYR A 58 -1.731 7.138 -26.597 1.00 1.00 C +ATOM 878 CZ TYR A 58 -2.903 6.868 -27.230 1.00 1.00 C +ATOM 879 OH TYR A 58 -2.953 6.993 -28.584 1.00 1.00 O +ATOM 880 H TYR A 58 -4.352 5.450 -21.060 1.00 1.00 H +ATOM 881 HA TYR A 58 -2.750 4.285 -23.234 1.00 1.00 H +ATOM 882 HB2 TYR A 58 -3.550 7.061 -22.504 1.00 1.00 H +ATOM 883 HB3 TYR A 58 -1.807 6.900 -22.583 1.00 1.00 H +ATOM 884 HD1 TYR A 58 -4.862 6.038 -24.586 1.00 1.00 H +ATOM 885 HD2 TYR A 58 -0.749 7.216 -24.632 1.00 1.00 H +ATOM 886 HE1 TYR A 58 -4.948 6.272 -27.117 1.00 1.00 H +ATOM 887 HE2 TYR A 58 -0.851 7.447 -27.161 1.00 1.00 H +ATOM 888 HH TYR A 58 -3.806 7.437 -28.855 1.00 1.00 H +ATOM 889 N ARG A 59 -0.864 3.887 -21.708 1.00 1.00 N +ATOM 890 CA ARG A 59 0.214 3.555 -20.793 1.00 1.00 C +ATOM 891 C ARG A 59 1.294 4.637 -20.831 1.00 1.00 C +ATOM 892 O ARG A 59 1.730 5.049 -21.904 1.00 1.00 O +ATOM 893 CB ARG A 59 0.841 2.205 -21.150 1.00 1.00 C +ATOM 894 CG ARG A 59 0.363 1.109 -20.196 1.00 1.00 C +ATOM 895 CD ARG A 59 0.440 -0.266 -20.861 1.00 1.00 C +ATOM 896 NE ARG A 59 1.150 -1.216 -19.976 1.00 1.00 N +ATOM 897 CZ ARG A 59 0.635 -2.380 -19.554 1.00 1.00 C +ATOM 898 NH1 ARG A 59 -0.598 -2.743 -19.933 1.00 1.00 N +ATOM 899 NH2 ARG A 59 1.351 -3.179 -18.753 1.00 1.00 N +ATOM 900 H ARG A 59 -0.852 3.393 -22.576 1.00 1.00 H +ATOM 901 HA ARG A 59 -0.258 3.505 -19.813 1.00 1.00 H +ATOM 902 HB2 ARG A 59 0.583 1.941 -22.175 1.00 1.00 H +ATOM 903 HB3 ARG A 59 1.928 2.283 -21.106 1.00 1.00 H +ATOM 904 HG2 ARG A 59 0.975 1.116 -19.294 1.00 1.00 H +ATOM 905 HG3 ARG A 59 -0.663 1.312 -19.888 1.00 1.00 H +ATOM 906 HD2 ARG A 59 -0.565 -0.633 -21.071 1.00 1.00 H +ATOM 907 HD3 ARG A 59 0.957 -0.189 -21.817 1.00 1.00 H +ATOM 908 HE ARG A 59 2.073 -0.977 -19.675 1.00 1.00 H +ATOM 909 HH11 ARG A 59 -1.133 -2.146 -20.531 1.00 1.00 H +ATOM 910 HH12 ARG A 59 -0.983 -3.610 -19.619 1.00 1.00 H +ATOM 911 HH21 ARG A 59 2.272 -2.908 -18.470 1.00 1.00 H +ATOM 912 HH22 ARG A 59 0.967 -4.047 -18.438 1.00 1.00 H +ATOM 913 N ILE A 60 1.696 5.069 -19.644 1.00 1.00 N +ATOM 914 CA ILE A 60 2.718 6.096 -19.527 1.00 1.00 C +ATOM 915 C ILE A 60 4.100 5.451 -19.642 1.00 1.00 C +ATOM 916 O ILE A 60 4.264 4.269 -19.340 1.00 1.00 O +ATOM 917 CB ILE A 60 2.520 6.904 -18.242 1.00 1.00 C +ATOM 918 CG1 ILE A 60 1.184 7.647 -18.261 1.00 1.00 C +ATOM 919 CG2 ILE A 60 3.699 7.849 -18.003 1.00 1.00 C +ATOM 920 CD1 ILE A 60 0.831 8.175 -16.869 1.00 1.00 C +ATOM 921 H ILE A 60 1.337 4.729 -18.774 1.00 1.00 H +ATOM 922 HA ILE A 60 2.586 6.783 -20.362 1.00 1.00 H +ATOM 923 HB ILE A 60 2.491 6.208 -17.404 1.00 1.00 H +ATOM 924 HG12 ILE A 60 1.234 8.476 -18.966 1.00 1.00 H +ATOM 925 HG13 ILE A 60 0.397 6.978 -18.611 1.00 1.00 H +ATOM 926 HG21 ILE A 60 4.029 8.266 -18.954 1.00 1.00 H +ATOM 927 HG22 ILE A 60 3.389 8.656 -17.340 1.00 1.00 H +ATOM 928 HG23 ILE A 60 4.520 7.298 -17.544 1.00 1.00 H +ATOM 929 HD11 ILE A 60 1.544 7.788 -16.142 1.00 1.00 H +ATOM 930 HD12 ILE A 60 0.869 9.265 -16.872 1.00 1.00 H +ATOM 931 HD13 ILE A 60 -0.175 7.848 -16.600 1.00 1.00 H +ATOM 932 N ASN A 61 5.058 6.254 -20.079 1.00 1.00 N +ATOM 933 CA ASN A 61 6.421 5.776 -20.238 1.00 1.00 C +ATOM 934 C ASN A 61 7.268 6.260 -19.058 1.00 1.00 C +ATOM 935 O ASN A 61 6.925 7.246 -18.407 1.00 1.00 O +ATOM 936 CB ASN A 61 7.048 6.316 -21.524 1.00 1.00 C +ATOM 937 CG ASN A 61 6.012 7.060 -22.369 1.00 1.00 C +ATOM 938 OD1 ASN A 61 5.568 6.592 -23.405 1.00 1.00 O +ATOM 939 ND2 ASN A 61 5.652 8.238 -21.870 1.00 1.00 N +ATOM 940 H ASN A 61 4.916 7.214 -20.321 1.00 1.00 H +ATOM 941 HA ASN A 61 6.341 4.689 -20.275 1.00 1.00 H +ATOM 942 HB2 ASN A 61 7.870 6.988 -21.277 1.00 1.00 H +ATOM 943 HB3 ASN A 61 7.471 5.494 -22.100 1.00 1.00 H +ATOM 944 HD21 ASN A 61 6.054 8.564 -21.016 1.00 1.00 H +ATOM 945 HD22 ASN A 61 4.978 8.800 -22.352 1.00 1.00 H +ATOM 946 N THR A 62 8.356 5.544 -18.820 1.00 1.00 N +ATOM 947 CA THR A 62 9.254 5.888 -17.730 1.00 1.00 C +ATOM 948 C THR A 62 10.588 6.397 -18.280 1.00 1.00 C +ATOM 949 O THR A 62 10.938 6.119 -19.426 1.00 1.00 O +ATOM 950 CB THR A 62 9.397 4.660 -16.829 1.00 1.00 C +ATOM 951 OG1 THR A 62 8.108 4.509 -16.240 1.00 1.00 O +ATOM 952 CG2 THR A 62 10.323 4.913 -15.637 1.00 1.00 C +ATOM 953 H THR A 62 8.627 4.742 -19.355 1.00 1.00 H +ATOM 954 HA THR A 62 8.809 6.705 -17.163 1.00 1.00 H +ATOM 955 HB THR A 62 9.727 3.793 -17.403 1.00 1.00 H +ATOM 956 HG1 THR A 62 7.740 5.405 -15.989 1.00 1.00 H +ATOM 957 HG21 THR A 62 10.034 5.840 -15.144 1.00 1.00 H +ATOM 958 HG22 THR A 62 10.242 4.085 -14.933 1.00 1.00 H +ATOM 959 HG23 THR A 62 11.352 4.992 -15.988 1.00 1.00 H +ATOM 960 N ALA A 63 11.297 7.132 -17.435 1.00 1.00 N +ATOM 961 CA ALA A 63 12.585 7.683 -17.822 1.00 1.00 C +ATOM 962 C ALA A 63 13.597 6.545 -17.972 1.00 1.00 C +ATOM 963 O ALA A 63 13.990 6.200 -19.084 1.00 1.00 O +ATOM 964 CB ALA A 63 13.026 8.723 -16.790 1.00 1.00 C +ATOM 965 H ALA A 63 11.006 7.353 -16.505 1.00 1.00 H +ATOM 966 HA ALA A 63 12.461 8.175 -18.786 1.00 1.00 H +ATOM 967 HB1 ALA A 63 12.479 8.567 -15.861 1.00 1.00 H +ATOM 968 HB2 ALA A 63 14.095 8.620 -16.606 1.00 1.00 H +ATOM 969 HB3 ALA A 63 12.817 9.722 -17.172 1.00 1.00 H +ATOM 970 N SER A 64 13.990 5.991 -16.833 1.00 1.00 N +ATOM 971 CA SER A 64 14.948 4.899 -16.823 1.00 1.00 C +ATOM 972 C SER A 64 15.011 4.270 -15.430 1.00 1.00 C +ATOM 973 O SER A 64 15.080 3.048 -15.298 1.00 1.00 O +ATOM 974 CB SER A 64 16.337 5.381 -17.250 1.00 1.00 C +ATOM 975 OG SER A 64 16.310 6.031 -18.518 1.00 1.00 O +ATOM 976 H SER A 64 13.665 6.278 -15.931 1.00 1.00 H +ATOM 977 HA SER A 64 14.574 4.181 -17.552 1.00 1.00 H +ATOM 978 HB2 SER A 64 16.729 6.067 -16.500 1.00 1.00 H +ATOM 979 HB3 SER A 64 17.018 4.531 -17.293 1.00 1.00 H +ATOM 980 HG SER A 64 17.240 6.253 -18.809 1.00 1.00 H +ATOM 981 N ASP A 65 14.983 5.132 -14.424 1.00 1.00 N +ATOM 982 CA ASP A 65 15.034 4.676 -13.046 1.00 1.00 C +ATOM 983 C ASP A 65 13.618 4.357 -12.565 1.00 1.00 C +ATOM 984 O ASP A 65 13.397 3.347 -11.898 1.00 1.00 O +ATOM 985 CB ASP A 65 15.613 5.757 -12.130 1.00 1.00 C +ATOM 986 CG ASP A 65 14.953 7.131 -12.254 1.00 1.00 C +ATOM 987 OD1 ASP A 65 15.113 7.742 -13.333 1.00 1.00 O +ATOM 988 OD2 ASP A 65 14.303 7.540 -11.269 1.00 1.00 O +ATOM 989 H ASP A 65 14.926 6.124 -14.540 1.00 1.00 H +ATOM 990 HA ASP A 65 15.677 3.797 -13.059 1.00 1.00 H +ATOM 991 HB2 ASP A 65 15.525 5.421 -11.097 1.00 1.00 H +ATOM 992 HB3 ASP A 65 16.677 5.861 -12.342 1.00 1.00 H +ATOM 993 N GLY A 66 12.694 5.238 -12.922 1.00 1.00 N +ATOM 994 CA GLY A 66 11.303 5.063 -12.534 1.00 1.00 C +ATOM 995 C GLY A 66 10.485 6.315 -12.851 1.00 1.00 C +ATOM 996 O GLY A 66 9.288 6.227 -13.123 1.00 1.00 O +ATOM 997 H GLY A 66 12.881 6.056 -13.465 1.00 1.00 H +ATOM 998 HA2 GLY A 66 10.882 4.206 -13.058 1.00 1.00 H +ATOM 999 HA3 GLY A 66 11.245 4.844 -11.467 1.00 1.00 H +ATOM 1000 N LYS A 67 11.161 7.454 -12.806 1.00 1.00 N +ATOM 1001 CA LYS A 67 10.512 8.723 -13.084 1.00 1.00 C +ATOM 1002 C LYS A 67 9.615 8.572 -14.316 1.00 1.00 C +ATOM 1003 O LYS A 67 10.019 7.971 -15.311 1.00 1.00 O +ATOM 1004 CB LYS A 67 11.549 9.840 -13.211 1.00 1.00 C +ATOM 1005 CG LYS A 67 12.698 9.637 -12.220 1.00 1.00 C +ATOM 1006 CD LYS A 67 13.348 10.972 -11.854 1.00 1.00 C +ATOM 1007 CE LYS A 67 14.707 11.127 -12.540 1.00 1.00 C +ATOM 1008 NZ LYS A 67 14.530 11.386 -13.987 1.00 1.00 N +ATOM 1009 H LYS A 67 12.135 7.516 -12.583 1.00 1.00 H +ATOM 1010 HA LYS A 67 9.882 8.962 -12.227 1.00 1.00 H +ATOM 1011 HB2 LYS A 67 11.942 9.863 -14.227 1.00 1.00 H +ATOM 1012 HB3 LYS A 67 11.075 10.804 -13.031 1.00 1.00 H +ATOM 1013 HG2 LYS A 67 12.323 9.152 -11.319 1.00 1.00 H +ATOM 1014 HG3 LYS A 67 13.444 8.971 -12.653 1.00 1.00 H +ATOM 1015 HD2 LYS A 67 12.694 11.793 -12.148 1.00 1.00 H +ATOM 1016 HD3 LYS A 67 13.473 11.036 -10.773 1.00 1.00 H +ATOM 1017 HE2 LYS A 67 15.261 11.946 -12.082 1.00 1.00 H +ATOM 1018 HE3 LYS A 67 15.298 10.222 -12.397 1.00 1.00 H +ATOM 1019 HZ1 LYS A 67 13.889 12.143 -14.113 1.00 1.00 H +ATOM 1020 HZ2 LYS A 67 15.412 11.624 -14.393 1.00 1.00 H +ATOM 1021 HZ3 LYS A 67 14.169 10.566 -14.431 1.00 1.00 H +ATOM 1022 N LEU A 68 8.418 9.129 -14.209 1.00 1.00 N +ATOM 1023 CA LEU A 68 7.463 9.065 -15.301 1.00 1.00 C +ATOM 1024 C LEU A 68 7.456 10.402 -16.046 1.00 1.00 C +ATOM 1025 O LEU A 68 7.314 11.458 -15.432 1.00 1.00 O +ATOM 1026 CB LEU A 68 6.087 8.641 -14.784 1.00 1.00 C +ATOM 1027 CG LEU A 68 5.977 7.206 -14.267 1.00 1.00 C +ATOM 1028 CD1 LEU A 68 5.643 7.186 -12.775 1.00 1.00 C +ATOM 1029 CD2 LEU A 68 4.970 6.400 -15.091 1.00 1.00 C +ATOM 1030 H LEU A 68 8.099 9.617 -13.396 1.00 1.00 H +ATOM 1031 HA LEU A 68 7.803 8.289 -15.988 1.00 1.00 H +ATOM 1032 HB2 LEU A 68 5.797 9.319 -13.982 1.00 1.00 H +ATOM 1033 HB3 LEU A 68 5.362 8.772 -15.588 1.00 1.00 H +ATOM 1034 HG LEU A 68 6.948 6.725 -14.386 1.00 1.00 H +ATOM 1035 HD11 LEU A 68 6.393 7.755 -12.226 1.00 1.00 H +ATOM 1036 HD12 LEU A 68 4.659 7.630 -12.617 1.00 1.00 H +ATOM 1037 HD13 LEU A 68 5.637 6.155 -12.417 1.00 1.00 H +ATOM 1038 HD21 LEU A 68 4.257 7.080 -15.558 1.00 1.00 H +ATOM 1039 HD22 LEU A 68 5.499 5.841 -15.864 1.00 1.00 H +ATOM 1040 HD23 LEU A 68 4.439 5.708 -14.440 1.00 1.00 H +ATOM 1041 N TYR A 69 7.610 10.312 -17.358 1.00 1.00 N +ATOM 1042 CA TYR A 69 7.624 11.501 -18.195 1.00 1.00 C +ATOM 1043 C TYR A 69 6.854 11.265 -19.496 1.00 1.00 C +ATOM 1044 O TYR A 69 7.334 10.567 -20.387 1.00 1.00 O +ATOM 1045 CB TYR A 69 9.093 11.767 -18.525 1.00 1.00 C +ATOM 1046 CG TYR A 69 9.606 10.997 -19.743 1.00 1.00 C +ATOM 1047 CD1 TYR A 69 9.901 9.653 -19.635 1.00 1.00 C +ATOM 1048 CD2 TYR A 69 9.775 11.646 -20.948 1.00 1.00 C +ATOM 1049 CE1 TYR A 69 10.384 8.928 -20.782 1.00 1.00 C +ATOM 1050 CE2 TYR A 69 10.258 10.921 -22.095 1.00 1.00 C +ATOM 1051 CZ TYR A 69 10.538 9.597 -21.955 1.00 1.00 C +ATOM 1052 OH TYR A 69 10.995 8.912 -23.037 1.00 1.00 O +ATOM 1053 H TYR A 69 7.725 9.448 -17.851 1.00 1.00 H +ATOM 1054 HA TYR A 69 7.143 12.307 -17.639 1.00 1.00 H +ATOM 1055 HB2 TYR A 69 9.227 12.835 -18.700 1.00 1.00 H +ATOM 1056 HB3 TYR A 69 9.702 11.508 -17.660 1.00 1.00 H +ATOM 1057 HD1 TYR A 69 9.767 9.141 -18.682 1.00 1.00 H +ATOM 1058 HD2 TYR A 69 9.542 12.708 -21.034 1.00 1.00 H +ATOM 1059 HE1 TYR A 69 10.619 7.866 -20.710 1.00 1.00 H +ATOM 1060 HE2 TYR A 69 10.396 11.421 -23.054 1.00 1.00 H +ATOM 1061 HH TYR A 69 11.459 8.077 -22.743 1.00 1.00 H +ATOM 1062 N VAL A 70 5.672 11.861 -19.564 1.00 1.00 N +ATOM 1063 CA VAL A 70 4.832 11.724 -20.742 1.00 1.00 C +ATOM 1064 C VAL A 70 5.425 12.552 -21.884 1.00 1.00 C +ATOM 1065 O VAL A 70 5.065 12.361 -23.045 1.00 1.00 O +ATOM 1066 CB VAL A 70 3.392 12.115 -20.405 1.00 1.00 C +ATOM 1067 CG1 VAL A 70 2.440 11.734 -21.540 1.00 1.00 C +ATOM 1068 CG2 VAL A 70 2.947 11.486 -19.082 1.00 1.00 C +ATOM 1069 H VAL A 70 5.289 12.427 -18.834 1.00 1.00 H +ATOM 1070 HA VAL A 70 4.838 10.673 -21.029 1.00 1.00 H +ATOM 1071 HB VAL A 70 3.356 13.199 -20.288 1.00 1.00 H +ATOM 1072 HG11 VAL A 70 2.624 10.700 -21.837 1.00 1.00 H +ATOM 1073 HG12 VAL A 70 1.409 11.835 -21.201 1.00 1.00 H +ATOM 1074 HG13 VAL A 70 2.609 12.392 -22.393 1.00 1.00 H +ATOM 1075 HG21 VAL A 70 3.624 10.672 -18.822 1.00 1.00 H +ATOM 1076 HG22 VAL A 70 2.968 12.242 -18.297 1.00 1.00 H +ATOM 1077 HG23 VAL A 70 1.934 11.098 -19.188 1.00 1.00 H +ATOM 1078 N SER A 71 6.324 13.453 -21.515 1.00 1.00 N +ATOM 1079 CA SER A 71 6.969 14.310 -22.494 1.00 1.00 C +ATOM 1080 C SER A 71 8.431 14.541 -22.105 1.00 1.00 C +ATOM 1081 O SER A 71 8.728 14.841 -20.951 1.00 1.00 O +ATOM 1082 CB SER A 71 6.237 15.647 -22.625 1.00 1.00 C +ATOM 1083 OG SER A 71 6.305 16.166 -23.950 1.00 1.00 O +ATOM 1084 H SER A 71 6.611 13.601 -20.569 1.00 1.00 H +ATOM 1085 HA SER A 71 6.905 13.769 -23.438 1.00 1.00 H +ATOM 1086 HB2 SER A 71 5.194 15.518 -22.338 1.00 1.00 H +ATOM 1087 HB3 SER A 71 6.672 16.368 -21.931 1.00 1.00 H +ATOM 1088 HG SER A 71 5.474 15.927 -24.454 1.00 1.00 H +ATOM 1089 N SER A 72 9.303 14.391 -23.091 1.00 1.00 N +ATOM 1090 CA SER A 72 10.727 14.578 -22.866 1.00 1.00 C +ATOM 1091 C SER A 72 10.980 15.946 -22.228 1.00 1.00 C +ATOM 1092 O SER A 72 12.036 16.177 -21.642 1.00 1.00 O +ATOM 1093 CB SER A 72 11.513 14.448 -24.172 1.00 1.00 C +ATOM 1094 OG SER A 72 11.037 15.342 -25.173 1.00 1.00 O +ATOM 1095 H SER A 72 9.052 14.146 -24.027 1.00 1.00 H +ATOM 1096 HA SER A 72 11.019 13.779 -22.184 1.00 1.00 H +ATOM 1097 HB2 SER A 72 12.568 14.644 -23.981 1.00 1.00 H +ATOM 1098 HB3 SER A 72 11.441 13.423 -24.537 1.00 1.00 H +ATOM 1099 HG SER A 72 10.042 15.406 -25.131 1.00 1.00 H +ATOM 1100 N GLU A 73 9.992 16.819 -22.366 1.00 1.00 N +ATOM 1101 CA GLU A 73 10.093 18.158 -21.812 1.00 1.00 C +ATOM 1102 C GLU A 73 9.448 18.210 -20.425 1.00 1.00 C +ATOM 1103 O GLU A 73 9.608 19.188 -19.697 1.00 1.00 O +ATOM 1104 CB GLU A 73 9.462 19.189 -22.749 1.00 1.00 C +ATOM 1105 CG GLU A 73 8.473 20.082 -21.995 1.00 1.00 C +ATOM 1106 CD GLU A 73 7.780 21.058 -22.947 1.00 1.00 C +ATOM 1107 OE1 GLU A 73 8.301 21.220 -24.072 1.00 1.00 O +ATOM 1108 OE2 GLU A 73 6.744 21.619 -22.530 1.00 1.00 O +ATOM 1109 H GLU A 73 9.136 16.624 -22.845 1.00 1.00 H +ATOM 1110 HA GLU A 73 11.163 18.358 -21.730 1.00 1.00 H +ATOM 1111 HB2 GLU A 73 10.241 19.804 -23.199 1.00 1.00 H +ATOM 1112 HB3 GLU A 73 8.947 18.679 -23.564 1.00 1.00 H +ATOM 1113 HG2 GLU A 73 7.727 19.464 -21.496 1.00 1.00 H +ATOM 1114 HG3 GLU A 73 8.998 20.637 -21.218 1.00 1.00 H +ATOM 1115 N SER A 74 8.734 17.143 -20.101 1.00 1.00 N +ATOM 1116 CA SER A 74 8.065 17.053 -18.815 1.00 1.00 C +ATOM 1117 C SER A 74 8.284 15.666 -18.205 1.00 1.00 C +ATOM 1118 O SER A 74 7.822 14.665 -18.750 1.00 1.00 O +ATOM 1119 CB SER A 74 6.568 17.341 -18.951 1.00 1.00 C +ATOM 1120 OG SER A 74 6.294 18.253 -20.013 1.00 1.00 O +ATOM 1121 H SER A 74 8.609 16.350 -20.698 1.00 1.00 H +ATOM 1122 HA SER A 74 8.527 17.821 -18.194 1.00 1.00 H +ATOM 1123 HB2 SER A 74 6.033 16.408 -19.127 1.00 1.00 H +ATOM 1124 HB3 SER A 74 6.191 17.753 -18.015 1.00 1.00 H +ATOM 1125 HG SER A 74 6.593 19.173 -19.758 1.00 1.00 H +ATOM 1126 N ARG A 75 8.988 15.654 -17.083 1.00 1.00 N +ATOM 1127 CA ARG A 75 9.275 14.407 -16.395 1.00 1.00 C +ATOM 1128 C ARG A 75 8.975 14.546 -14.900 1.00 1.00 C +ATOM 1129 O ARG A 75 9.225 15.595 -14.309 1.00 1.00 O +ATOM 1130 CB ARG A 75 10.737 13.998 -16.579 1.00 1.00 C +ATOM 1131 CG ARG A 75 11.464 14.968 -17.514 1.00 1.00 C +ATOM 1132 CD ARG A 75 12.746 14.342 -18.064 1.00 1.00 C +ATOM 1133 NE ARG A 75 13.659 15.402 -18.550 1.00 1.00 N +ATOM 1134 CZ ARG A 75 14.614 15.207 -19.469 1.00 1.00 C +ATOM 1135 NH1 ARG A 75 14.788 13.992 -20.008 1.00 1.00 N +ATOM 1136 NH2 ARG A 75 15.395 16.227 -19.850 1.00 1.00 N +ATOM 1137 H ARG A 75 9.361 16.472 -16.647 1.00 1.00 H +ATOM 1138 HA ARG A 75 8.615 13.673 -16.860 1.00 1.00 H +ATOM 1139 HB2 ARG A 75 11.238 13.977 -15.611 1.00 1.00 H +ATOM 1140 HB3 ARG A 75 10.788 12.988 -16.986 1.00 1.00 H +ATOM 1141 HG2 ARG A 75 10.806 15.245 -18.338 1.00 1.00 H +ATOM 1142 HG3 ARG A 75 11.703 15.885 -16.976 1.00 1.00 H +ATOM 1143 HD2 ARG A 75 13.237 13.755 -17.288 1.00 1.00 H +ATOM 1144 HD3 ARG A 75 12.506 13.657 -18.877 1.00 1.00 H +ATOM 1145 HE ARG A 75 13.556 16.321 -18.168 1.00 1.00 H +ATOM 1146 HH11 ARG A 75 14.205 13.231 -19.724 1.00 1.00 H +ATOM 1147 HH12 ARG A 75 15.500 13.847 -20.694 1.00 1.00 H +ATOM 1148 HH21 ARG A 75 15.265 17.134 -19.448 1.00 1.00 H +ATOM 1149 HH22 ARG A 75 16.109 16.081 -20.536 1.00 1.00 H +ATOM 1150 N PHE A 76 8.445 13.471 -14.333 1.00 1.00 N +ATOM 1151 CA PHE A 76 8.110 13.461 -12.919 1.00 1.00 C +ATOM 1152 C PHE A 76 8.522 12.138 -12.269 1.00 1.00 C +ATOM 1153 O PHE A 76 8.822 11.168 -12.962 1.00 1.00 O +ATOM 1154 CB PHE A 76 6.592 13.614 -12.818 1.00 1.00 C +ATOM 1155 CG PHE A 76 6.027 14.770 -13.645 1.00 1.00 C +ATOM 1156 CD1 PHE A 76 5.994 16.026 -13.125 1.00 1.00 C +ATOM 1157 CD2 PHE A 76 5.556 14.541 -14.900 1.00 1.00 C +ATOM 1158 CE1 PHE A 76 5.469 17.100 -13.891 1.00 1.00 C +ATOM 1159 CE2 PHE A 76 5.032 15.615 -15.668 1.00 1.00 C +ATOM 1160 CZ PHE A 76 5.000 16.872 -15.147 1.00 1.00 C +ATOM 1161 H PHE A 76 8.246 12.622 -14.822 1.00 1.00 H +ATOM 1162 HA PHE A 76 8.656 14.280 -12.451 1.00 1.00 H +ATOM 1163 HB2 PHE A 76 6.121 12.685 -13.142 1.00 1.00 H +ATOM 1164 HB3 PHE A 76 6.320 13.761 -11.773 1.00 1.00 H +ATOM 1165 HD1 PHE A 76 6.373 16.208 -12.118 1.00 1.00 H +ATOM 1166 HD2 PHE A 76 5.581 13.536 -15.317 1.00 1.00 H +ATOM 1167 HE1 PHE A 76 5.445 18.106 -13.474 1.00 1.00 H +ATOM 1168 HE2 PHE A 76 4.653 15.434 -16.674 1.00 1.00 H +ATOM 1169 HZ PHE A 76 4.596 17.696 -15.735 1.00 1.00 H +ATOM 1170 N ASN A 77 8.525 12.143 -10.944 1.00 1.00 N +ATOM 1171 CA ASN A 77 8.894 10.956 -10.191 1.00 1.00 C +ATOM 1172 C ASN A 77 7.630 10.284 -9.652 1.00 1.00 C +ATOM 1173 O ASN A 77 7.620 9.079 -9.404 1.00 1.00 O +ATOM 1174 CB ASN A 77 9.784 11.315 -8.999 1.00 1.00 C +ATOM 1175 CG ASN A 77 11.265 11.240 -9.378 1.00 1.00 C +ATOM 1176 OD1 ASN A 77 11.860 12.191 -9.855 1.00 1.00 O +ATOM 1177 ND2 ASN A 77 11.825 10.057 -9.139 1.00 1.00 N +ATOM 1178 H ASN A 77 8.278 12.937 -10.386 1.00 1.00 H +ATOM 1179 HA ASN A 77 9.433 10.325 -10.899 1.00 1.00 H +ATOM 1180 HB2 ASN A 77 9.545 12.319 -8.651 1.00 1.00 H +ATOM 1181 HB3 ASN A 77 9.582 10.634 -8.172 1.00 1.00 H +ATOM 1182 HD21 ASN A 77 11.280 9.316 -8.746 1.00 1.00 H +ATOM 1183 HD22 ASN A 77 12.790 9.909 -9.353 1.00 1.00 H +ATOM 1184 N THR A 78 6.593 11.093 -9.486 1.00 1.00 N +ATOM 1185 CA THR A 78 5.326 10.591 -8.981 1.00 1.00 C +ATOM 1186 C THR A 78 4.203 10.882 -9.978 1.00 1.00 C +ATOM 1187 O THR A 78 4.042 12.017 -10.425 1.00 1.00 O +ATOM 1188 CB THR A 78 5.090 11.209 -7.602 1.00 1.00 C +ATOM 1189 OG1 THR A 78 5.487 10.186 -6.692 1.00 1.00 O +ATOM 1190 CG2 THR A 78 3.605 11.418 -7.301 1.00 1.00 C +ATOM 1191 H THR A 78 6.609 12.072 -9.692 1.00 1.00 H +ATOM 1192 HA THR A 78 5.398 9.508 -8.889 1.00 1.00 H +ATOM 1193 HB THR A 78 5.646 12.141 -7.491 1.00 1.00 H +ATOM 1194 HG1 THR A 78 6.288 9.705 -7.048 1.00 1.00 H +ATOM 1195 HG21 THR A 78 3.011 11.087 -8.153 1.00 1.00 H +ATOM 1196 HG22 THR A 78 3.328 10.842 -6.419 1.00 1.00 H +ATOM 1197 HG23 THR A 78 3.418 12.477 -7.116 1.00 1.00 H +ATOM 1198 N LEU A 79 3.453 9.838 -10.298 1.00 1.00 N +ATOM 1199 CA LEU A 79 2.348 9.966 -11.233 1.00 1.00 C +ATOM 1200 C LEU A 79 1.562 11.239 -10.914 1.00 1.00 C +ATOM 1201 O LEU A 79 1.323 12.063 -11.796 1.00 1.00 O +ATOM 1202 CB LEU A 79 1.493 8.697 -11.231 1.00 1.00 C +ATOM 1203 CG LEU A 79 1.262 8.048 -9.865 1.00 1.00 C +ATOM 1204 CD1 LEU A 79 -0.162 7.500 -9.753 1.00 1.00 C +ATOM 1205 CD2 LEU A 79 2.314 6.973 -9.584 1.00 1.00 C +ATOM 1206 H LEU A 79 3.590 8.918 -9.930 1.00 1.00 H +ATOM 1207 HA LEU A 79 2.775 10.065 -12.230 1.00 1.00 H +ATOM 1208 HB2 LEU A 79 0.523 8.937 -11.666 1.00 1.00 H +ATOM 1209 HB3 LEU A 79 1.964 7.964 -11.884 1.00 1.00 H +ATOM 1210 HG LEU A 79 1.374 8.814 -9.098 1.00 1.00 H +ATOM 1211 HD11 LEU A 79 -0.689 7.662 -10.692 1.00 1.00 H +ATOM 1212 HD12 LEU A 79 -0.125 6.432 -9.535 1.00 1.00 H +ATOM 1213 HD13 LEU A 79 -0.688 8.015 -8.948 1.00 1.00 H +ATOM 1214 HD21 LEU A 79 2.903 6.799 -10.484 1.00 1.00 H +ATOM 1215 HD22 LEU A 79 2.968 7.305 -8.779 1.00 1.00 H +ATOM 1216 HD23 LEU A 79 1.817 6.048 -9.290 1.00 1.00 H +ATOM 1217 N ALA A 80 1.182 11.359 -9.650 1.00 1.00 N +ATOM 1218 CA ALA A 80 0.427 12.519 -9.204 1.00 1.00 C +ATOM 1219 C ALA A 80 1.046 13.785 -9.797 1.00 1.00 C +ATOM 1220 O ALA A 80 0.366 14.555 -10.474 1.00 1.00 O +ATOM 1221 CB ALA A 80 0.393 12.548 -7.675 1.00 1.00 C +ATOM 1222 H ALA A 80 1.380 10.686 -8.939 1.00 1.00 H +ATOM 1223 HA ALA A 80 -0.594 12.414 -9.575 1.00 1.00 H +ATOM 1224 HB1 ALA A 80 0.633 11.559 -7.286 1.00 1.00 H +ATOM 1225 HB2 ALA A 80 1.124 13.269 -7.309 1.00 1.00 H +ATOM 1226 HB3 ALA A 80 -0.603 12.839 -7.338 1.00 1.00 H +ATOM 1227 N GLU A 81 2.330 13.962 -9.524 1.00 1.00 N +ATOM 1228 CA GLU A 81 3.049 15.123 -10.022 1.00 1.00 C +ATOM 1229 C GLU A 81 2.848 15.262 -11.533 1.00 1.00 C +ATOM 1230 O GLU A 81 2.905 16.367 -12.071 1.00 1.00 O +ATOM 1231 CB GLU A 81 4.536 15.040 -9.673 1.00 1.00 C +ATOM 1232 CG GLU A 81 4.892 16.022 -8.555 1.00 1.00 C +ATOM 1233 CD GLU A 81 4.557 17.458 -8.960 1.00 1.00 C +ATOM 1234 OE1 GLU A 81 3.402 17.865 -8.704 1.00 1.00 O +ATOM 1235 OE2 GLU A 81 5.460 18.118 -9.519 1.00 1.00 O +ATOM 1236 H GLU A 81 2.876 13.332 -8.973 1.00 1.00 H +ATOM 1237 HA GLU A 81 2.609 15.979 -9.510 1.00 1.00 H +ATOM 1238 HB2 GLU A 81 4.783 14.023 -9.362 1.00 1.00 H +ATOM 1239 HB3 GLU A 81 5.135 15.256 -10.557 1.00 1.00 H +ATOM 1240 HG2 GLU A 81 4.348 15.759 -7.648 1.00 1.00 H +ATOM 1241 HG3 GLU A 81 5.955 15.944 -8.324 1.00 1.00 H +ATOM 1242 N LEU A 82 2.618 14.126 -12.174 1.00 1.00 N +ATOM 1243 CA LEU A 82 2.408 14.108 -13.613 1.00 1.00 C +ATOM 1244 C LEU A 82 1.079 14.792 -13.939 1.00 1.00 C +ATOM 1245 O LEU A 82 1.042 15.742 -14.719 1.00 1.00 O +ATOM 1246 CB LEU A 82 2.512 12.679 -14.151 1.00 1.00 C +ATOM 1247 CG LEU A 82 2.548 12.538 -15.673 1.00 1.00 C +ATOM 1248 CD1 LEU A 82 3.865 11.909 -16.136 1.00 1.00 C +ATOM 1249 CD2 LEU A 82 1.332 11.758 -16.181 1.00 1.00 C +ATOM 1250 H LEU A 82 2.572 13.232 -11.729 1.00 1.00 H +ATOM 1251 HA LEU A 82 3.215 14.683 -14.068 1.00 1.00 H +ATOM 1252 HB2 LEU A 82 3.413 12.223 -13.742 1.00 1.00 H +ATOM 1253 HB3 LEU A 82 1.665 12.107 -13.772 1.00 1.00 H +ATOM 1254 HG LEU A 82 2.497 13.535 -16.111 1.00 1.00 H +ATOM 1255 HD11 LEU A 82 4.426 11.562 -15.267 1.00 1.00 H +ATOM 1256 HD12 LEU A 82 3.653 11.066 -16.793 1.00 1.00 H +ATOM 1257 HD13 LEU A 82 4.452 12.652 -16.674 1.00 1.00 H +ATOM 1258 HD21 LEU A 82 1.323 10.766 -15.730 1.00 1.00 H +ATOM 1259 HD22 LEU A 82 0.420 12.290 -15.907 1.00 1.00 H +ATOM 1260 HD23 LEU A 82 1.387 11.665 -17.266 1.00 1.00 H +ATOM 1261 N VAL A 83 0.021 14.284 -13.323 1.00 1.00 N +ATOM 1262 CA VAL A 83 -1.306 14.834 -13.540 1.00 1.00 C +ATOM 1263 C VAL A 83 -1.320 16.302 -13.108 1.00 1.00 C +ATOM 1264 O VAL A 83 -1.947 17.138 -13.758 1.00 1.00 O +ATOM 1265 CB VAL A 83 -2.350 13.986 -12.810 1.00 1.00 C +ATOM 1266 CG1 VAL A 83 -3.065 14.803 -11.733 1.00 1.00 C +ATOM 1267 CG2 VAL A 83 -3.351 13.381 -13.795 1.00 1.00 C +ATOM 1268 H VAL A 83 0.060 13.511 -12.691 1.00 1.00 H +ATOM 1269 HA VAL A 83 -1.514 14.781 -14.608 1.00 1.00 H +ATOM 1270 HB VAL A 83 -1.828 13.165 -12.317 1.00 1.00 H +ATOM 1271 HG11 VAL A 83 -3.444 15.727 -12.170 1.00 1.00 H +ATOM 1272 HG12 VAL A 83 -3.895 14.225 -11.329 1.00 1.00 H +ATOM 1273 HG13 VAL A 83 -2.365 15.041 -10.932 1.00 1.00 H +ATOM 1274 HG21 VAL A 83 -3.157 13.771 -14.795 1.00 1.00 H +ATOM 1275 HG22 VAL A 83 -3.245 12.297 -13.802 1.00 1.00 H +ATOM 1276 HG23 VAL A 83 -4.364 13.646 -13.492 1.00 1.00 H +ATOM 1277 N HIS A 84 -0.625 16.570 -12.013 1.00 1.00 N +ATOM 1278 CA HIS A 84 -0.550 17.923 -11.486 1.00 1.00 C +ATOM 1279 C HIS A 84 -0.193 18.894 -12.615 1.00 1.00 C +ATOM 1280 O HIS A 84 -0.867 19.905 -12.803 1.00 1.00 O +ATOM 1281 CB HIS A 84 0.427 17.995 -10.311 1.00 1.00 C +ATOM 1282 CG HIS A 84 -0.177 18.547 -9.043 1.00 1.00 C +ATOM 1283 ND1 HIS A 84 0.536 18.669 -7.863 1.00 1.00 N +ATOM 1284 CD2 HIS A 84 -1.433 19.013 -8.783 1.00 1.00 C +ATOM 1285 CE1 HIS A 84 -0.265 19.183 -6.941 1.00 1.00 C +ATOM 1286 NE2 HIS A 84 -1.485 19.394 -7.513 1.00 1.00 N +ATOM 1287 H HIS A 84 -0.119 15.885 -11.490 1.00 1.00 H +ATOM 1288 HA HIS A 84 -1.542 18.167 -11.109 1.00 1.00 H +ATOM 1289 HB2 HIS A 84 0.814 16.996 -10.113 1.00 1.00 H +ATOM 1290 HB3 HIS A 84 1.278 18.615 -10.597 1.00 1.00 H +ATOM 1291 HD1 HIS A 84 1.493 18.411 -7.729 1.00 1.00 H +ATOM 1292 HD2 HIS A 84 -2.255 19.060 -9.498 1.00 1.00 H +ATOM 1293 HE1 HIS A 84 0.003 19.398 -5.906 1.00 1.00 H +ATOM 1294 N HIS A 85 0.865 18.551 -13.334 1.00 1.00 N +ATOM 1295 CA HIS A 85 1.318 19.379 -14.440 1.00 1.00 C +ATOM 1296 C HIS A 85 0.338 19.259 -15.608 1.00 1.00 C +ATOM 1297 O HIS A 85 0.031 20.248 -16.270 1.00 1.00 O +ATOM 1298 CB HIS A 85 2.754 19.025 -14.830 1.00 1.00 C +ATOM 1299 CG HIS A 85 3.163 19.532 -16.192 1.00 1.00 C +ATOM 1300 ND1 HIS A 85 3.280 20.880 -16.487 1.00 1.00 N +ATOM 1301 CD2 HIS A 85 3.481 18.858 -17.334 1.00 1.00 C +ATOM 1302 CE1 HIS A 85 3.651 20.999 -17.753 1.00 1.00 C +ATOM 1303 NE2 HIS A 85 3.776 19.746 -18.277 1.00 1.00 N +ATOM 1304 H HIS A 85 1.406 17.726 -13.175 1.00 1.00 H +ATOM 1305 HA HIS A 85 1.315 20.409 -14.079 1.00 1.00 H +ATOM 1306 HB2 HIS A 85 3.435 19.433 -14.083 1.00 1.00 H +ATOM 1307 HB3 HIS A 85 2.869 17.942 -14.807 1.00 1.00 H +ATOM 1308 HD1 HIS A 85 3.113 21.633 -15.852 1.00 1.00 H +ATOM 1309 HD2 HIS A 85 3.493 17.776 -17.454 1.00 1.00 H +ATOM 1310 HE1 HIS A 85 3.828 21.935 -18.283 1.00 1.00 H +ATOM 1311 N HIS A 86 -0.124 18.035 -15.827 1.00 1.00 N +ATOM 1312 CA HIS A 86 -1.062 17.773 -16.904 1.00 1.00 C +ATOM 1313 C HIS A 86 -2.457 18.249 -16.496 1.00 1.00 C +ATOM 1314 O HIS A 86 -3.427 18.037 -17.225 1.00 1.00 O +ATOM 1315 CB HIS A 86 -1.032 16.295 -17.301 1.00 1.00 C +ATOM 1316 CG HIS A 86 0.300 15.830 -17.839 1.00 1.00 C +ATOM 1317 ND1 HIS A 86 1.153 16.659 -18.548 1.00 1.00 N +ATOM 1318 CD2 HIS A 86 0.918 14.616 -17.762 1.00 1.00 C +ATOM 1319 CE1 HIS A 86 2.231 15.964 -18.879 1.00 1.00 C +ATOM 1320 NE2 HIS A 86 2.084 14.698 -18.393 1.00 1.00 N +ATOM 1321 H HIS A 86 0.132 17.236 -15.284 1.00 1.00 H +ATOM 1322 HA HIS A 86 -0.725 18.353 -17.762 1.00 1.00 H +ATOM 1323 HB2 HIS A 86 -1.292 15.690 -16.432 1.00 1.00 H +ATOM 1324 HB3 HIS A 86 -1.799 16.117 -18.055 1.00 1.00 H +ATOM 1325 HD1 HIS A 86 0.983 17.618 -18.772 1.00 1.00 H +ATOM 1326 HD2 HIS A 86 0.521 13.731 -17.268 1.00 1.00 H +ATOM 1327 HE1 HIS A 86 3.086 16.339 -19.443 1.00 1.00 H +ATOM 1328 N SER A 87 -2.516 18.883 -15.336 1.00 1.00 N +ATOM 1329 CA SER A 87 -3.777 19.391 -14.823 1.00 1.00 C +ATOM 1330 C SER A 87 -4.109 20.731 -15.485 1.00 1.00 C +ATOM 1331 O SER A 87 -5.273 21.125 -15.546 1.00 1.00 O +ATOM 1332 CB SER A 87 -3.730 19.550 -13.302 1.00 1.00 C +ATOM 1333 OG SER A 87 -3.574 18.298 -12.641 1.00 1.00 O +ATOM 1334 H SER A 87 -1.723 19.051 -14.750 1.00 1.00 H +ATOM 1335 HA SER A 87 -4.521 18.639 -15.086 1.00 1.00 H +ATOM 1336 HB2 SER A 87 -2.905 20.209 -13.032 1.00 1.00 H +ATOM 1337 HB3 SER A 87 -4.647 20.029 -12.959 1.00 1.00 H +ATOM 1338 HG SER A 87 -3.425 18.445 -11.662 1.00 1.00 H +ATOM 1339 N THR A 88 -3.067 21.392 -15.966 1.00 1.00 N +ATOM 1340 CA THR A 88 -3.234 22.678 -16.622 1.00 1.00 C +ATOM 1341 C THR A 88 -2.568 22.664 -17.999 1.00 1.00 C +ATOM 1342 O THR A 88 -3.126 23.181 -18.967 1.00 1.00 O +ATOM 1343 CB THR A 88 -2.681 23.759 -15.691 1.00 1.00 C +ATOM 1344 OG1 THR A 88 -1.329 23.368 -15.470 1.00 1.00 O +ATOM 1345 CG2 THR A 88 -3.316 23.713 -14.299 1.00 1.00 C +ATOM 1346 H THR A 88 -2.125 21.064 -15.913 1.00 1.00 H +ATOM 1347 HA THR A 88 -4.299 22.845 -16.782 1.00 1.00 H +ATOM 1348 HB THR A 88 -2.789 24.748 -16.135 1.00 1.00 H +ATOM 1349 HG1 THR A 88 -0.742 24.176 -15.422 1.00 1.00 H +ATOM 1350 HG21 THR A 88 -3.962 22.839 -14.223 1.00 1.00 H +ATOM 1351 HG22 THR A 88 -2.531 23.651 -13.544 1.00 1.00 H +ATOM 1352 HG23 THR A 88 -3.903 24.616 -14.137 1.00 1.00 H +ATOM 1353 N VAL A 89 -1.387 22.068 -18.044 1.00 1.00 N +ATOM 1354 CA VAL A 89 -0.640 21.979 -19.287 1.00 1.00 C +ATOM 1355 C VAL A 89 -0.296 20.515 -19.569 1.00 1.00 C +ATOM 1356 O VAL A 89 0.795 20.054 -19.233 1.00 1.00 O +ATOM 1357 CB VAL A 89 0.595 22.880 -19.221 1.00 1.00 C +ATOM 1358 CG1 VAL A 89 1.651 22.438 -20.235 1.00 1.00 C +ATOM 1359 CG2 VAL A 89 0.214 24.348 -19.432 1.00 1.00 C +ATOM 1360 H VAL A 89 -0.942 21.648 -17.253 1.00 1.00 H +ATOM 1361 HA VAL A 89 -1.284 22.347 -20.086 1.00 1.00 H +ATOM 1362 HB VAL A 89 1.025 22.787 -18.225 1.00 1.00 H +ATOM 1363 HG11 VAL A 89 1.197 21.773 -20.968 1.00 1.00 H +ATOM 1364 HG12 VAL A 89 2.058 23.314 -20.741 1.00 1.00 H +ATOM 1365 HG13 VAL A 89 2.453 21.912 -19.717 1.00 1.00 H +ATOM 1366 HG21 VAL A 89 -0.871 24.436 -19.491 1.00 1.00 H +ATOM 1367 HG22 VAL A 89 0.580 24.942 -18.595 1.00 1.00 H +ATOM 1368 HG23 VAL A 89 0.659 24.709 -20.358 1.00 1.00 H +ATOM 1369 N ALA A 90 -1.247 19.823 -20.181 1.00 1.00 N +ATOM 1370 CA ALA A 90 -1.058 18.422 -20.510 1.00 1.00 C +ATOM 1371 C ALA A 90 -0.073 18.304 -21.675 1.00 1.00 C +ATOM 1372 O ALA A 90 -0.477 18.088 -22.816 1.00 1.00 O +ATOM 1373 CB ALA A 90 -2.412 17.785 -20.827 1.00 1.00 C +ATOM 1374 H ALA A 90 -2.131 20.206 -20.450 1.00 1.00 H +ATOM 1375 HA ALA A 90 -0.634 17.929 -19.635 1.00 1.00 H +ATOM 1376 HB1 ALA A 90 -3.158 18.149 -20.121 1.00 1.00 H +ATOM 1377 HB2 ALA A 90 -2.712 18.051 -21.840 1.00 1.00 H +ATOM 1378 HB3 ALA A 90 -2.332 16.700 -20.744 1.00 1.00 H +ATOM 1379 N ASP A 91 1.203 18.451 -21.348 1.00 1.00 N +ATOM 1380 CA ASP A 91 2.249 18.364 -22.351 1.00 1.00 C +ATOM 1381 C ASP A 91 2.487 16.896 -22.708 1.00 1.00 C +ATOM 1382 O ASP A 91 3.391 16.580 -23.481 1.00 1.00 O +ATOM 1383 CB ASP A 91 3.565 18.945 -21.827 1.00 1.00 C +ATOM 1384 CG ASP A 91 4.050 20.203 -22.549 1.00 1.00 C +ATOM 1385 OD1 ASP A 91 3.475 21.276 -22.266 1.00 1.00 O +ATOM 1386 OD2 ASP A 91 4.984 20.064 -23.368 1.00 1.00 O +ATOM 1387 H ASP A 91 1.523 18.628 -20.417 1.00 1.00 H +ATOM 1388 HA ASP A 91 1.883 18.945 -23.198 1.00 1.00 H +ATOM 1389 HB2 ASP A 91 3.447 19.172 -20.768 1.00 1.00 H +ATOM 1390 HB3 ASP A 91 4.338 18.179 -21.904 1.00 1.00 H +ATOM 1391 N GLY A 92 1.662 16.038 -22.126 1.00 1.00 N +ATOM 1392 CA GLY A 92 1.772 14.611 -22.373 1.00 1.00 C +ATOM 1393 C GLY A 92 0.396 13.991 -22.629 1.00 1.00 C +ATOM 1394 O GLY A 92 0.118 13.527 -23.734 1.00 1.00 O +ATOM 1395 H GLY A 92 0.931 16.303 -21.497 1.00 1.00 H +ATOM 1396 HA2 GLY A 92 2.421 14.434 -23.231 1.00 1.00 H +ATOM 1397 HA3 GLY A 92 2.239 14.124 -21.515 1.00 1.00 H +ATOM 1398 N LEU A 93 -0.425 14.003 -21.591 1.00 1.00 N +ATOM 1399 CA LEU A 93 -1.765 13.448 -21.689 1.00 1.00 C +ATOM 1400 C LEU A 93 -2.605 14.318 -22.627 1.00 1.00 C +ATOM 1401 O LEU A 93 -2.528 15.545 -22.574 1.00 1.00 O +ATOM 1402 CB LEU A 93 -2.377 13.275 -20.298 1.00 1.00 C +ATOM 1403 CG LEU A 93 -1.397 13.318 -19.124 1.00 1.00 C +ATOM 1404 CD1 LEU A 93 -2.131 13.154 -17.791 1.00 1.00 C +ATOM 1405 CD2 LEU A 93 -0.287 12.280 -19.298 1.00 1.00 C +ATOM 1406 H LEU A 93 -0.190 14.382 -20.696 1.00 1.00 H +ATOM 1407 HA LEU A 93 -1.675 12.455 -22.129 1.00 1.00 H +ATOM 1408 HB2 LEU A 93 -3.124 14.055 -20.151 1.00 1.00 H +ATOM 1409 HB3 LEU A 93 -2.903 12.321 -20.272 1.00 1.00 H +ATOM 1410 HG LEU A 93 -0.921 14.298 -19.111 1.00 1.00 H +ATOM 1411 HD11 LEU A 93 -2.804 12.299 -17.850 1.00 1.00 H +ATOM 1412 HD12 LEU A 93 -1.405 12.991 -16.995 1.00 1.00 H +ATOM 1413 HD13 LEU A 93 -2.707 14.056 -17.580 1.00 1.00 H +ATOM 1414 HD21 LEU A 93 -0.325 11.872 -20.308 1.00 1.00 H +ATOM 1415 HD22 LEU A 93 0.681 12.752 -19.133 1.00 1.00 H +ATOM 1416 HD23 LEU A 93 -0.425 11.475 -18.576 1.00 1.00 H +ATOM 1417 N ILE A 94 -3.387 13.650 -23.461 1.00 1.00 N +ATOM 1418 CA ILE A 94 -4.240 14.347 -24.409 1.00 1.00 C +ATOM 1419 C ILE A 94 -5.198 15.265 -23.646 1.00 1.00 C +ATOM 1420 O ILE A 94 -5.143 16.484 -23.793 1.00 1.00 O +ATOM 1421 CB ILE A 94 -4.946 13.349 -25.329 1.00 1.00 C +ATOM 1422 CG1 ILE A 94 -6.093 14.019 -26.087 1.00 1.00 C +ATOM 1423 CG2 ILE A 94 -5.417 12.121 -24.548 1.00 1.00 C +ATOM 1424 CD1 ILE A 94 -7.379 14.012 -25.256 1.00 1.00 C +ATOM 1425 H ILE A 94 -3.442 12.652 -23.497 1.00 1.00 H +ATOM 1426 HA ILE A 94 -3.596 14.965 -25.035 1.00 1.00 H +ATOM 1427 HB ILE A 94 -4.227 13.003 -26.071 1.00 1.00 H +ATOM 1428 HG12 ILE A 94 -5.820 15.046 -26.332 1.00 1.00 H +ATOM 1429 HG13 ILE A 94 -6.262 13.501 -27.031 1.00 1.00 H +ATOM 1430 HG21 ILE A 94 -5.331 12.316 -23.479 1.00 1.00 H +ATOM 1431 HG22 ILE A 94 -6.455 11.907 -24.797 1.00 1.00 H +ATOM 1432 HG23 ILE A 94 -4.796 11.264 -24.811 1.00 1.00 H +ATOM 1433 HD11 ILE A 94 -7.180 13.559 -24.286 1.00 1.00 H +ATOM 1434 HD12 ILE A 94 -7.727 15.035 -25.117 1.00 1.00 H +ATOM 1435 HD13 ILE A 94 -8.143 13.434 -25.776 1.00 1.00 H +ATOM 1436 N THR A 95 -6.053 14.642 -22.848 1.00 1.00 N +ATOM 1437 CA THR A 95 -7.021 15.388 -22.063 1.00 1.00 C +ATOM 1438 C THR A 95 -6.370 15.936 -20.792 1.00 1.00 C +ATOM 1439 O THR A 95 -5.167 15.775 -20.588 1.00 1.00 O +ATOM 1440 CB THR A 95 -8.215 14.469 -21.786 1.00 1.00 C +ATOM 1441 OG1 THR A 95 -9.172 15.320 -21.163 1.00 1.00 O +ATOM 1442 CG2 THR A 95 -7.906 13.414 -20.721 1.00 1.00 C +ATOM 1443 H THR A 95 -6.092 13.650 -22.735 1.00 1.00 H +ATOM 1444 HA THR A 95 -7.353 16.245 -22.649 1.00 1.00 H +ATOM 1445 HB THR A 95 -8.568 14.002 -22.705 1.00 1.00 H +ATOM 1446 HG1 THR A 95 -9.232 15.111 -20.188 1.00 1.00 H +ATOM 1447 HG21 THR A 95 -7.153 13.802 -20.033 1.00 1.00 H +ATOM 1448 HG22 THR A 95 -8.816 13.178 -20.168 1.00 1.00 H +ATOM 1449 HG23 THR A 95 -7.528 12.511 -21.202 1.00 1.00 H +ATOM 1450 N THR A 96 -7.191 16.572 -19.970 1.00 1.00 N +ATOM 1451 CA THR A 96 -6.710 17.145 -18.725 1.00 1.00 C +ATOM 1452 C THR A 96 -7.697 16.864 -17.591 1.00 1.00 C +ATOM 1453 O THR A 96 -8.844 17.306 -17.639 1.00 1.00 O +ATOM 1454 CB THR A 96 -6.458 18.637 -18.957 1.00 1.00 C +ATOM 1455 OG1 THR A 96 -7.754 19.224 -18.870 1.00 1.00 O +ATOM 1456 CG2 THR A 96 -6.008 18.940 -20.387 1.00 1.00 C +ATOM 1457 H THR A 96 -8.168 16.700 -20.144 1.00 1.00 H +ATOM 1458 HA THR A 96 -5.771 16.656 -18.462 1.00 1.00 H +ATOM 1459 HB THR A 96 -5.744 19.029 -18.233 1.00 1.00 H +ATOM 1460 HG1 THR A 96 -7.673 20.203 -18.679 1.00 1.00 H +ATOM 1461 HG21 THR A 96 -6.754 18.567 -21.090 1.00 1.00 H +ATOM 1462 HG22 THR A 96 -5.897 20.017 -20.514 1.00 1.00 H +ATOM 1463 HG23 THR A 96 -5.052 18.450 -20.579 1.00 1.00 H +ATOM 1464 N LEU A 97 -7.216 16.131 -16.599 1.00 1.00 N +ATOM 1465 CA LEU A 97 -8.042 15.785 -15.455 1.00 1.00 C +ATOM 1466 C LEU A 97 -8.957 16.964 -15.117 1.00 1.00 C +ATOM 1467 O LEU A 97 -8.585 18.120 -15.312 1.00 1.00 O +ATOM 1468 CB LEU A 97 -7.170 15.331 -14.281 1.00 1.00 C +ATOM 1469 CG LEU A 97 -6.106 16.325 -13.812 1.00 1.00 C +ATOM 1470 CD1 LEU A 97 -5.804 16.142 -12.324 1.00 1.00 C +ATOM 1471 CD2 LEU A 97 -4.843 16.221 -14.671 1.00 1.00 C +ATOM 1472 H LEU A 97 -6.281 15.775 -16.568 1.00 1.00 H +ATOM 1473 HA LEU A 97 -8.661 14.937 -15.743 1.00 1.00 H +ATOM 1474 HB2 LEU A 97 -7.821 15.101 -13.439 1.00 1.00 H +ATOM 1475 HB3 LEU A 97 -6.673 14.403 -14.563 1.00 1.00 H +ATOM 1476 HG LEU A 97 -6.499 17.333 -13.939 1.00 1.00 H +ATOM 1477 HD11 LEU A 97 -6.714 16.299 -11.745 1.00 1.00 H +ATOM 1478 HD12 LEU A 97 -5.433 15.132 -12.149 1.00 1.00 H +ATOM 1479 HD13 LEU A 97 -5.047 16.864 -12.015 1.00 1.00 H +ATOM 1480 HD21 LEU A 97 -4.639 15.174 -14.892 1.00 1.00 H +ATOM 1481 HD22 LEU A 97 -4.991 16.768 -15.603 1.00 1.00 H +ATOM 1482 HD23 LEU A 97 -4.000 16.651 -14.129 1.00 1.00 H +ATOM 1483 N HIS A 98 -10.139 16.630 -14.620 1.00 1.00 N +ATOM 1484 CA HIS A 98 -11.113 17.645 -14.256 1.00 1.00 C +ATOM 1485 C HIS A 98 -11.322 17.636 -12.740 1.00 1.00 C +ATOM 1486 O HIS A 98 -10.680 18.394 -12.016 1.00 1.00 O +ATOM 1487 CB HIS A 98 -12.415 17.456 -15.035 1.00 1.00 C +ATOM 1488 CG HIS A 98 -13.470 18.493 -14.732 1.00 1.00 C +ATOM 1489 ND1 HIS A 98 -13.216 19.853 -14.770 1.00 1.00 N +ATOM 1490 CD2 HIS A 98 -14.782 18.356 -14.386 1.00 1.00 C +ATOM 1491 CE1 HIS A 98 -14.332 20.494 -14.459 1.00 1.00 C +ATOM 1492 NE2 HIS A 98 -15.301 19.565 -14.222 1.00 1.00 N +ATOM 1493 H HIS A 98 -10.434 15.688 -14.466 1.00 1.00 H +ATOM 1494 HA HIS A 98 -10.687 18.605 -14.549 1.00 1.00 H +ATOM 1495 HB2 HIS A 98 -12.194 17.478 -16.103 1.00 1.00 H +ATOM 1496 HB3 HIS A 98 -12.818 16.467 -14.814 1.00 1.00 H +ATOM 1497 HD1 HIS A 98 -12.339 20.278 -14.994 1.00 1.00 H +ATOM 1498 HD2 HIS A 98 -15.313 17.411 -14.267 1.00 1.00 H +ATOM 1499 HE1 HIS A 98 -14.455 21.577 -14.403 1.00 1.00 H +ATOM 1500 N TYR A 99 -12.223 16.768 -12.305 1.00 1.00 N +ATOM 1501 CA TYR A 99 -12.525 16.648 -10.889 1.00 1.00 C +ATOM 1502 C TYR A 99 -12.420 15.193 -10.427 1.00 1.00 C +ATOM 1503 O TYR A 99 -13.332 14.399 -10.654 1.00 1.00 O +ATOM 1504 CB TYR A 99 -13.970 17.120 -10.725 1.00 1.00 C +ATOM 1505 CG TYR A 99 -15.012 16.018 -10.922 1.00 1.00 C +ATOM 1506 CD1 TYR A 99 -15.259 15.520 -12.187 1.00 1.00 C +ATOM 1507 CD2 TYR A 99 -15.704 15.519 -9.837 1.00 1.00 C +ATOM 1508 CE1 TYR A 99 -16.240 14.483 -12.372 1.00 1.00 C +ATOM 1509 CE2 TYR A 99 -16.684 14.481 -10.024 1.00 1.00 C +ATOM 1510 CZ TYR A 99 -16.904 14.014 -11.282 1.00 1.00 C +ATOM 1511 OH TYR A 99 -17.830 13.033 -11.459 1.00 1.00 O +ATOM 1512 H TYR A 99 -12.742 16.154 -12.900 1.00 1.00 H +ATOM 1513 HA TYR A 99 -11.801 17.250 -10.339 1.00 1.00 H +ATOM 1514 HB2 TYR A 99 -14.093 17.547 -9.729 1.00 1.00 H +ATOM 1515 HB3 TYR A 99 -14.165 17.921 -11.439 1.00 1.00 H +ATOM 1516 HD1 TYR A 99 -14.713 15.915 -13.044 1.00 1.00 H +ATOM 1517 HD2 TYR A 99 -15.508 15.911 -8.839 1.00 1.00 H +ATOM 1518 HE1 TYR A 99 -16.445 14.081 -13.365 1.00 1.00 H +ATOM 1519 HE2 TYR A 99 -17.238 14.078 -9.176 1.00 1.00 H +ATOM 1520 HH TYR A 99 -17.490 12.170 -11.083 1.00 1.00 H +ATOM 1521 N PRO A 100 -11.272 14.881 -9.769 1.00 1.00 N +ATOM 1522 CA PRO A 100 -11.036 13.536 -9.272 1.00 1.00 C +ATOM 1523 C PRO A 100 -11.870 13.260 -8.020 1.00 1.00 C +ATOM 1524 O PRO A 100 -11.418 13.505 -6.901 1.00 1.00 O +ATOM 1525 CB PRO A 100 -9.539 13.467 -9.018 1.00 1.00 C +ATOM 1526 CG PRO A 100 -9.065 14.909 -8.936 1.00 1.00 C +ATOM 1527 CD PRO A 100 -10.172 15.796 -9.482 1.00 1.00 C +ATOM 1528 HA PRO A 100 -11.329 12.860 -9.948 1.00 1.00 H +ATOM 1529 HB2 PRO A 100 -9.326 12.932 -8.092 1.00 1.00 H +ATOM 1530 HB3 PRO A 100 -9.032 12.932 -9.820 1.00 1.00 H +ATOM 1531 HG2 PRO A 100 -8.832 15.176 -7.906 1.00 1.00 H +ATOM 1532 HG3 PRO A 100 -8.150 15.041 -9.514 1.00 1.00 H +ATOM 1533 HD2 PRO A 100 -10.465 16.554 -8.755 1.00 1.00 H +ATOM 1534 HD3 PRO A 100 -9.850 16.322 -10.380 1.00 1.00 H +ATOM 1535 N ALA A 101 -13.074 12.755 -8.247 1.00 1.00 N +ATOM 1536 CA ALA A 101 -13.974 12.443 -7.151 1.00 1.00 C +ATOM 1537 C ALA A 101 -13.389 11.294 -6.327 1.00 1.00 C +ATOM 1538 O ALA A 101 -12.627 10.479 -6.844 1.00 1.00 O +ATOM 1539 CB ALA A 101 -15.362 12.115 -7.708 1.00 1.00 C +ATOM 1540 H ALA A 101 -13.435 12.558 -9.159 1.00 1.00 H +ATOM 1541 HA ALA A 101 -14.049 13.329 -6.520 1.00 1.00 H +ATOM 1542 HB1 ALA A 101 -15.705 12.937 -8.333 1.00 1.00 H +ATOM 1543 HB2 ALA A 101 -15.308 11.202 -8.301 1.00 1.00 H +ATOM 1544 HB3 ALA A 101 -16.059 11.971 -6.881 1.00 1.00 H +ATOM 1545 N PRO A 102 -13.779 11.265 -5.024 1.00 1.00 N +ATOM 1546 CA PRO A 102 -13.302 10.229 -4.123 1.00 1.00 C +ATOM 1547 C PRO A 102 -14.002 8.897 -4.398 1.00 1.00 C +ATOM 1548 O PRO A 102 -15.189 8.871 -4.722 1.00 1.00 O +ATOM 1549 CB PRO A 102 -13.575 10.766 -2.727 1.00 1.00 C +ATOM 1550 CG PRO A 102 -14.609 11.865 -2.898 1.00 1.00 C +ATOM 1551 CD PRO A 102 -14.681 12.212 -4.377 1.00 1.00 C +ATOM 1552 HA PRO A 102 -12.329 10.061 -4.272 1.00 1.00 H +ATOM 1553 HB2 PRO A 102 -13.945 9.978 -2.071 1.00 1.00 H +ATOM 1554 HB3 PRO A 102 -12.663 11.155 -2.273 1.00 1.00 H +ATOM 1555 HG2 PRO A 102 -15.582 11.533 -2.536 1.00 1.00 H +ATOM 1556 HG3 PRO A 102 -14.334 12.743 -2.314 1.00 1.00 H +ATOM 1557 HD2 PRO A 102 -15.698 12.114 -4.757 1.00 1.00 H +ATOM 1558 HD3 PRO A 102 -14.370 13.242 -4.557 1.00 1.00 H +ATOM 1559 N LYS A 103 -13.238 7.824 -4.261 1.00 1.00 N +ATOM 1560 CA LYS A 103 -13.771 6.491 -4.492 1.00 1.00 C +ATOM 1561 C LYS A 103 -14.350 5.946 -3.184 1.00 1.00 C +ATOM 1562 O LYS A 103 -13.650 5.281 -2.421 1.00 1.00 O +ATOM 1563 CB LYS A 103 -12.705 5.589 -5.116 1.00 1.00 C +ATOM 1564 CG LYS A 103 -12.281 6.110 -6.491 1.00 1.00 C +ATOM 1565 CD LYS A 103 -10.760 6.071 -6.647 1.00 1.00 C +ATOM 1566 CE LYS A 103 -10.071 6.790 -5.486 1.00 1.00 C +ATOM 1567 NZ LYS A 103 -8.869 7.510 -5.961 1.00 1.00 N +ATOM 1568 H LYS A 103 -12.274 7.853 -3.998 1.00 1.00 H +ATOM 1569 HA LYS A 103 -14.580 6.584 -5.216 1.00 1.00 H +ATOM 1570 HB2 LYS A 103 -11.836 5.537 -4.460 1.00 1.00 H +ATOM 1571 HB3 LYS A 103 -13.093 4.575 -5.211 1.00 1.00 H +ATOM 1572 HG2 LYS A 103 -12.747 5.509 -7.271 1.00 1.00 H +ATOM 1573 HG3 LYS A 103 -12.638 7.133 -6.620 1.00 1.00 H +ATOM 1574 HD2 LYS A 103 -10.421 5.037 -6.690 1.00 1.00 H +ATOM 1575 HD3 LYS A 103 -10.475 6.540 -7.589 1.00 1.00 H +ATOM 1576 HE2 LYS A 103 -10.763 7.493 -5.022 1.00 1.00 H +ATOM 1577 HE3 LYS A 103 -9.790 6.068 -4.718 1.00 1.00 H +ATOM 1578 HZ1 LYS A 103 -8.905 7.598 -6.957 1.00 1.00 H +ATOM 1579 HZ2 LYS A 103 -8.838 8.419 -5.547 1.00 1.00 H +ATOM 1580 HZ3 LYS A 103 -8.049 6.998 -5.703 1.00 1.00 H +ATOM 1581 N ARG A 104 -15.622 6.246 -2.967 1.00 1.00 N +ATOM 1582 CA ARG A 104 -16.303 5.792 -1.766 1.00 1.00 C +ATOM 1583 C ARG A 104 -16.697 4.320 -1.902 1.00 1.00 C +ATOM 1584 O ARG A 104 -17.202 3.903 -2.943 1.00 1.00 O +ATOM 1585 CB ARG A 104 -17.558 6.626 -1.497 1.00 1.00 C +ATOM 1586 CG ARG A 104 -17.362 7.537 -0.283 1.00 1.00 C +ATOM 1587 CD ARG A 104 -18.628 7.586 0.575 1.00 1.00 C +ATOM 1588 NE ARG A 104 -18.485 6.684 1.741 1.00 1.00 N +ATOM 1589 CZ ARG A 104 -19.517 6.144 2.403 1.00 1.00 C +ATOM 1590 NH1 ARG A 104 -20.771 6.410 2.020 1.00 1.00 N +ATOM 1591 NH2 ARG A 104 -19.291 5.337 3.450 1.00 1.00 N +ATOM 1592 H ARG A 104 -16.184 6.786 -3.594 1.00 1.00 H +ATOM 1593 HA ARG A 104 -15.577 5.933 -0.966 1.00 1.00 H +ATOM 1594 HB2 ARG A 104 -17.793 7.230 -2.375 1.00 1.00 H +ATOM 1595 HB3 ARG A 104 -18.409 5.966 -1.329 1.00 1.00 H +ATOM 1596 HG2 ARG A 104 -16.526 7.175 0.315 1.00 1.00 H +ATOM 1597 HG3 ARG A 104 -17.105 8.543 -0.616 1.00 1.00 H +ATOM 1598 HD2 ARG A 104 -18.808 8.605 0.914 1.00 1.00 H +ATOM 1599 HD3 ARG A 104 -19.492 7.289 -0.020 1.00 1.00 H +ATOM 1600 HE ARG A 104 -17.560 6.465 2.053 1.00 1.00 H +ATOM 1601 HH11 ARG A 104 -20.941 7.012 1.240 1.00 1.00 H +ATOM 1602 HH12 ARG A 104 -21.542 6.006 2.515 1.00 1.00 H +ATOM 1603 HH21 ARG A 104 -18.354 5.139 3.736 1.00 1.00 H +ATOM 1604 HH22 ARG A 104 -20.061 4.934 3.944 1.00 1.00 H +ATOM 1605 N GLY A 105 -16.451 3.575 -0.835 1.00 1.00 N +ATOM 1606 CA GLY A 105 -16.772 2.158 -0.821 1.00 1.00 C +ATOM 1607 C GLY A 105 -15.533 1.317 -0.515 1.00 1.00 C +ATOM 1608 O GLY A 105 -15.103 0.511 -1.340 1.00 1.00 O +ATOM 1609 H GLY A 105 -16.039 3.923 0.008 1.00 1.00 H +ATOM 1610 HA2 GLY A 105 -17.542 1.964 -0.075 1.00 1.00 H +ATOM 1611 HA3 GLY A 105 -17.184 1.866 -1.788 1.00 1.00 H +ATOM 1612 N ILE A 106 -14.989 1.532 0.675 1.00 1.00 N +ATOM 1613 CA ILE A 106 -13.807 0.803 1.101 1.00 1.00 C +ATOM 1614 C ILE A 106 -14.219 -0.584 1.597 1.00 1.00 C +ATOM 1615 O ILE A 106 -14.824 -0.711 2.660 1.00 1.00 O +ATOM 1616 CB ILE A 106 -13.018 1.617 2.130 1.00 1.00 C +ATOM 1617 CG1 ILE A 106 -11.566 1.143 2.206 1.00 1.00 C +ATOM 1618 CG2 ILE A 106 -13.705 1.583 3.497 1.00 1.00 C +ATOM 1619 CD1 ILE A 106 -11.493 -0.363 2.465 1.00 1.00 C +ATOM 1620 H ILE A 106 -15.344 2.189 1.340 1.00 1.00 H +ATOM 1621 HA ILE A 106 -13.165 0.682 0.227 1.00 1.00 H +ATOM 1622 HB ILE A 106 -13.001 2.656 1.803 1.00 1.00 H +ATOM 1623 HG12 ILE A 106 -11.052 1.381 1.275 1.00 1.00 H +ATOM 1624 HG13 ILE A 106 -11.046 1.678 3.003 1.00 1.00 H +ATOM 1625 HG21 ILE A 106 -14.784 1.504 3.360 1.00 1.00 H +ATOM 1626 HG22 ILE A 106 -13.347 0.723 4.063 1.00 1.00 H +ATOM 1627 HG23 ILE A 106 -13.473 2.498 4.042 1.00 1.00 H +ATOM 1628 HD11 ILE A 106 -12.344 -0.669 3.072 1.00 1.00 H +ATOM 1629 HD12 ILE A 106 -11.514 -0.896 1.514 1.00 1.00 H +ATOM 1630 HD13 ILE A 106 -10.567 -0.596 2.992 1.00 1.00 H +ATOM 1631 N HIS A 107 -13.874 -1.588 0.804 1.00 1.00 N +ATOM 1632 CA HIS A 107 -14.200 -2.960 1.151 1.00 1.00 C +ATOM 1633 C HIS A 107 -15.693 -3.205 0.927 1.00 1.00 C +ATOM 1634 O HIS A 107 -16.073 -4.054 0.121 1.00 1.00 O +ATOM 1635 CB HIS A 107 -13.755 -3.281 2.580 1.00 1.00 C +ATOM 1636 CG HIS A 107 -12.668 -4.325 2.663 1.00 1.00 C +ATOM 1637 ND1 HIS A 107 -12.814 -5.504 3.376 1.00 1.00 N +ATOM 1638 CD2 HIS A 107 -11.418 -4.356 2.120 1.00 1.00 C +ATOM 1639 CE1 HIS A 107 -11.695 -6.205 3.258 1.00 1.00 C +ATOM 1640 NE2 HIS A 107 -10.831 -5.491 2.480 1.00 1.00 N +ATOM 1641 H HIS A 107 -13.381 -1.475 -0.057 1.00 1.00 H +ATOM 1642 HA HIS A 107 -13.631 -3.597 0.475 1.00 1.00 H +ATOM 1643 HB2 HIS A 107 -13.402 -2.366 3.054 1.00 1.00 H +ATOM 1644 HB3 HIS A 107 -14.618 -3.623 3.150 1.00 1.00 H +ATOM 1645 HD1 HIS A 107 -13.626 -5.780 3.889 1.00 1.00 H +ATOM 1646 HD2 HIS A 107 -10.976 -3.581 1.495 1.00 1.00 H +ATOM 1647 HE1 HIS A 107 -11.501 -7.179 3.705 1.00 1.00 H +ATOM 1648 N ARG A 108 -16.501 -2.445 1.652 1.00 1.00 N +ATOM 1649 CA ARG A 108 -17.945 -2.569 1.542 1.00 1.00 C +ATOM 1650 C ARG A 108 -18.347 -2.812 0.086 1.00 1.00 C +ATOM 1651 O ARG A 108 -19.020 -3.794 -0.220 1.00 1.00 O +ATOM 1652 CB ARG A 108 -18.646 -1.309 2.054 1.00 1.00 C +ATOM 1653 CG ARG A 108 -18.731 -1.312 3.581 1.00 1.00 C +ATOM 1654 CD ARG A 108 -17.411 -0.852 4.204 1.00 1.00 C +ATOM 1655 NE ARG A 108 -16.647 -2.022 4.690 1.00 1.00 N +ATOM 1656 CZ ARG A 108 -16.775 -2.547 5.916 1.00 1.00 C +ATOM 1657 NH1 ARG A 108 -17.639 -2.011 6.789 1.00 1.00 N +ATOM 1658 NH2 ARG A 108 -16.039 -3.609 6.271 1.00 1.00 N +ATOM 1659 H ARG A 108 -16.184 -1.757 2.304 1.00 1.00 H +ATOM 1660 HA ARG A 108 -18.199 -3.424 2.167 1.00 1.00 H +ATOM 1661 HB2 ARG A 108 -18.103 -0.425 1.717 1.00 1.00 H +ATOM 1662 HB3 ARG A 108 -19.648 -1.249 1.630 1.00 1.00 H +ATOM 1663 HG2 ARG A 108 -19.538 -0.655 3.905 1.00 1.00 H +ATOM 1664 HG3 ARG A 108 -18.974 -2.313 3.935 1.00 1.00 H +ATOM 1665 HD2 ARG A 108 -16.824 -0.302 3.469 1.00 1.00 H +ATOM 1666 HD3 ARG A 108 -17.607 -0.167 5.030 1.00 1.00 H +ATOM 1667 HE ARG A 108 -15.991 -2.447 4.065 1.00 1.00 H +ATOM 1668 HH11 ARG A 108 -18.188 -1.216 6.523 1.00 1.00 H +ATOM 1669 HH12 ARG A 108 -17.734 -2.402 7.703 1.00 1.00 H +ATOM 1670 HH21 ARG A 108 -15.395 -4.010 5.619 1.00 1.00 H +ATOM 1671 HH22 ARG A 108 -16.135 -4.002 7.185 1.00 1.00 H +ATOM 1672 N ASP A 109 -17.917 -1.901 -0.774 1.00 1.00 N +ATOM 1673 CA ASP A 109 -18.223 -2.004 -2.191 1.00 1.00 C +ATOM 1674 C ASP A 109 -17.162 -2.868 -2.876 1.00 1.00 C +ATOM 1675 O ASP A 109 -16.923 -2.624 -4.079 1.00 1.00 O +ATOM 1676 CB ASP A 109 -18.216 -0.627 -2.857 1.00 1.00 C +ATOM 1677 CG ASP A 109 -17.988 -0.642 -4.370 1.00 1.00 C +ATOM 1678 OD1 ASP A 109 -18.778 -1.417 -5.033 1.00 1.00 O +ATOM 1679 OD2 ASP A 109 -17.099 0.050 -4.890 1.00 1.00 O +ATOM 1680 OXT ASP A 109 -16.583 -3.755 -2.253 1.00 1.00 O +ATOM 1681 H ASP A 109 -17.369 -1.104 -0.518 1.00 1.00 H +ATOM 1682 HA ASP A 109 -19.217 -2.450 -2.237 1.00 1.00 H +ATOM 1683 HB2 ASP A 109 -19.167 -0.137 -2.654 1.00 1.00 H +ATOM 1684 HB3 ASP A 109 -17.438 -0.020 -2.394 1.00 1.00 H +TER 1685 ASP A 109 +ENDMDL +MODEL 19 +ATOM 1 N GLY A 1 11.307 2.119 -4.702 1.00 1.00 N +ATOM 2 CA GLY A 1 10.520 1.443 -3.686 1.00 1.00 C +ATOM 3 C GLY A 1 9.228 2.210 -3.392 1.00 1.00 C +ATOM 4 O GLY A 1 9.082 2.796 -2.320 1.00 1.00 O +ATOM 5 H1 GLY A 1 10.816 2.950 -5.012 1.00 1.00 H +ATOM 6 H2 GLY A 1 12.206 2.383 -4.313 1.00 1.00 H +ATOM 7 H3 GLY A 1 11.450 1.497 -5.490 1.00 1.00 H +ATOM 8 HA2 GLY A 1 10.280 0.434 -4.019 1.00 1.00 H +ATOM 9 HA3 GLY A 1 11.106 1.344 -2.772 1.00 1.00 H +ATOM 10 N SER A 2 8.327 2.180 -4.362 1.00 1.00 N +ATOM 11 CA SER A 2 7.053 2.865 -4.220 1.00 1.00 C +ATOM 12 C SER A 2 5.907 1.918 -4.579 1.00 1.00 C +ATOM 13 O SER A 2 5.360 1.988 -5.678 1.00 1.00 O +ATOM 14 CB SER A 2 7.002 4.118 -5.097 1.00 1.00 C +ATOM 15 OG SER A 2 8.156 4.934 -4.930 1.00 1.00 O +ATOM 16 H SER A 2 8.454 1.700 -5.229 1.00 1.00 H +ATOM 17 HA SER A 2 6.995 3.154 -3.171 1.00 1.00 H +ATOM 18 HB2 SER A 2 6.913 3.824 -6.143 1.00 1.00 H +ATOM 19 HB3 SER A 2 6.111 4.695 -4.852 1.00 1.00 H +ATOM 20 HG SER A 2 8.818 4.745 -5.656 1.00 1.00 H +ATOM 21 N GLY A 3 5.576 1.055 -3.630 1.00 1.00 N +ATOM 22 CA GLY A 3 4.505 0.095 -3.833 1.00 1.00 C +ATOM 23 C GLY A 3 3.146 0.796 -3.902 1.00 1.00 C +ATOM 24 O GLY A 3 2.574 1.154 -2.874 1.00 1.00 O +ATOM 25 H GLY A 3 6.025 1.004 -2.738 1.00 1.00 H +ATOM 26 HA2 GLY A 3 4.679 -0.462 -4.754 1.00 1.00 H +ATOM 27 HA3 GLY A 3 4.501 -0.631 -3.018 1.00 1.00 H +ATOM 28 N ASN A 4 2.668 0.968 -5.125 1.00 1.00 N +ATOM 29 CA ASN A 4 1.387 1.620 -5.344 1.00 1.00 C +ATOM 30 C ASN A 4 0.391 1.144 -4.285 1.00 1.00 C +ATOM 31 O ASN A 4 -0.067 0.003 -4.326 1.00 1.00 O +ATOM 32 CB ASN A 4 0.818 1.269 -6.720 1.00 1.00 C +ATOM 33 CG ASN A 4 0.366 2.527 -7.464 1.00 1.00 C +ATOM 34 OD1 ASN A 4 -0.807 2.732 -7.735 1.00 1.00 O +ATOM 35 ND2 ASN A 4 1.356 3.357 -7.775 1.00 1.00 N +ATOM 36 H ASN A 4 3.138 0.672 -5.957 1.00 1.00 H +ATOM 37 HA ASN A 4 1.594 2.687 -5.273 1.00 1.00 H +ATOM 38 HB2 ASN A 4 1.574 0.747 -7.308 1.00 1.00 H +ATOM 39 HB3 ASN A 4 -0.025 0.586 -6.606 1.00 1.00 H +ATOM 40 HD21 ASN A 4 2.297 3.130 -7.523 1.00 1.00 H +ATOM 41 HD22 ASN A 4 1.161 4.208 -8.263 1.00 1.00 H +ATOM 42 N SER A 5 0.084 2.042 -3.361 1.00 1.00 N +ATOM 43 CA SER A 5 -0.849 1.727 -2.292 1.00 1.00 C +ATOM 44 C SER A 5 -1.208 3.000 -1.521 1.00 1.00 C +ATOM 45 O SER A 5 -0.590 4.044 -1.716 1.00 1.00 O +ATOM 46 CB SER A 5 -0.267 0.679 -1.342 1.00 1.00 C +ATOM 47 OG SER A 5 1.045 1.023 -0.905 1.00 1.00 O +ATOM 48 H SER A 5 0.463 2.968 -3.333 1.00 1.00 H +ATOM 49 HA SER A 5 -1.728 1.319 -2.789 1.00 1.00 H +ATOM 50 HB2 SER A 5 -0.921 0.570 -0.478 1.00 1.00 H +ATOM 51 HB3 SER A 5 -0.239 -0.289 -1.845 1.00 1.00 H +ATOM 52 HG SER A 5 1.540 1.485 -1.641 1.00 1.00 H +ATOM 53 N LEU A 6 -2.208 2.869 -0.662 1.00 1.00 N +ATOM 54 CA LEU A 6 -2.659 3.995 0.139 1.00 1.00 C +ATOM 55 C LEU A 6 -3.621 4.851 -0.687 1.00 1.00 C +ATOM 56 O LEU A 6 -3.403 5.060 -1.879 1.00 1.00 O +ATOM 57 CB LEU A 6 -1.462 4.773 0.690 1.00 1.00 C +ATOM 58 CG LEU A 6 -1.061 6.029 -0.088 1.00 1.00 C +ATOM 59 CD1 LEU A 6 -1.568 7.291 0.611 1.00 1.00 C +ATOM 60 CD2 LEU A 6 0.450 6.070 -0.323 1.00 1.00 C +ATOM 61 H LEU A 6 -2.707 2.016 -0.508 1.00 1.00 H +ATOM 62 HA LEU A 6 -3.201 3.591 0.994 1.00 1.00 H +ATOM 63 HB2 LEU A 6 -1.682 5.062 1.718 1.00 1.00 H +ATOM 64 HB3 LEU A 6 -0.603 4.103 0.725 1.00 1.00 H +ATOM 65 HG LEU A 6 -1.538 5.989 -1.068 1.00 1.00 H +ATOM 66 HD11 LEU A 6 -1.676 7.097 1.679 1.00 1.00 H +ATOM 67 HD12 LEU A 6 -0.855 8.101 0.459 1.00 1.00 H +ATOM 68 HD13 LEU A 6 -2.536 7.574 0.193 1.00 1.00 H +ATOM 69 HD21 LEU A 6 0.940 5.360 0.342 1.00 1.00 H +ATOM 70 HD22 LEU A 6 0.664 5.807 -1.358 1.00 1.00 H +ATOM 71 HD23 LEU A 6 0.821 7.075 -0.119 1.00 1.00 H +ATOM 72 N GLU A 7 -4.665 5.322 -0.020 1.00 1.00 N +ATOM 73 CA GLU A 7 -5.660 6.151 -0.677 1.00 1.00 C +ATOM 74 C GLU A 7 -5.127 7.572 -0.867 1.00 1.00 C +ATOM 75 O GLU A 7 -5.537 8.491 -0.160 1.00 1.00 O +ATOM 76 CB GLU A 7 -6.973 6.158 0.108 1.00 1.00 C +ATOM 77 CG GLU A 7 -8.099 5.512 -0.701 1.00 1.00 C +ATOM 78 CD GLU A 7 -9.240 5.055 0.213 1.00 1.00 C +ATOM 79 OE1 GLU A 7 -10.093 5.973 0.521 1.00 1.00 O +ATOM 80 OE2 GLU A 7 -9.289 3.878 0.602 1.00 1.00 O +ATOM 81 H GLU A 7 -4.834 5.146 0.950 1.00 1.00 H +ATOM 82 HA GLU A 7 -5.828 5.685 -1.650 1.00 1.00 H +ATOM 83 HB2 GLU A 7 -6.842 5.619 1.048 1.00 1.00 H +ATOM 84 HB3 GLU A 7 -7.244 7.182 0.362 1.00 1.00 H +ATOM 85 HG2 GLU A 7 -8.480 6.223 -1.434 1.00 1.00 H +ATOM 86 HG3 GLU A 7 -7.711 4.658 -1.256 1.00 1.00 H +ATOM 87 N LYS A 8 -4.222 7.707 -1.825 1.00 1.00 N +ATOM 88 CA LYS A 8 -3.630 9.001 -2.117 1.00 1.00 C +ATOM 89 C LYS A 8 -4.731 9.984 -2.519 1.00 1.00 C +ATOM 90 O LYS A 8 -5.658 10.234 -1.749 1.00 1.00 O +ATOM 91 CB LYS A 8 -2.521 8.860 -3.161 1.00 1.00 C +ATOM 92 CG LYS A 8 -1.367 9.823 -2.870 1.00 1.00 C +ATOM 93 CD LYS A 8 -1.775 11.269 -3.162 1.00 1.00 C +ATOM 94 CE LYS A 8 -0.554 12.192 -3.167 1.00 1.00 C +ATOM 95 NZ LYS A 8 -0.583 13.095 -1.993 1.00 1.00 N +ATOM 96 H LYS A 8 -3.894 6.955 -2.395 1.00 1.00 H +ATOM 97 HA LYS A 8 -3.164 9.362 -1.199 1.00 1.00 H +ATOM 98 HB2 LYS A 8 -2.150 7.835 -3.167 1.00 1.00 H +ATOM 99 HB3 LYS A 8 -2.923 9.058 -4.154 1.00 1.00 H +ATOM 100 HG2 LYS A 8 -1.065 9.730 -1.828 1.00 1.00 H +ATOM 101 HG3 LYS A 8 -0.503 9.555 -3.478 1.00 1.00 H +ATOM 102 HD2 LYS A 8 -2.278 11.321 -4.128 1.00 1.00 H +ATOM 103 HD3 LYS A 8 -2.489 11.608 -2.413 1.00 1.00 H +ATOM 104 HE2 LYS A 8 0.359 11.597 -3.153 1.00 1.00 H +ATOM 105 HE3 LYS A 8 -0.539 12.779 -4.085 1.00 1.00 H +ATOM 106 HZ1 LYS A 8 -0.954 12.633 -1.170 1.00 1.00 H +ATOM 107 HZ2 LYS A 8 0.355 13.405 -1.787 1.00 1.00 H +ATOM 108 HZ3 LYS A 8 -1.166 13.893 -2.198 1.00 1.00 H +ATOM 109 N HIS A 9 -4.596 10.514 -3.726 1.00 1.00 N +ATOM 110 CA HIS A 9 -5.568 11.463 -4.241 1.00 1.00 C +ATOM 111 C HIS A 9 -6.887 10.740 -4.528 1.00 1.00 C +ATOM 112 O HIS A 9 -6.997 9.535 -4.317 1.00 1.00 O +ATOM 113 CB HIS A 9 -5.015 12.199 -5.463 1.00 1.00 C +ATOM 114 CG HIS A 9 -4.099 13.351 -5.123 1.00 1.00 C +ATOM 115 ND1 HIS A 9 -3.547 13.524 -3.866 1.00 1.00 N +ATOM 116 CD2 HIS A 9 -3.646 14.383 -5.890 1.00 1.00 C +ATOM 117 CE1 HIS A 9 -2.796 14.615 -3.887 1.00 1.00 C +ATOM 118 NE2 HIS A 9 -2.860 15.148 -5.141 1.00 1.00 N +ATOM 119 H HIS A 9 -3.840 10.305 -4.347 1.00 1.00 H +ATOM 120 HA HIS A 9 -5.732 12.199 -3.455 1.00 1.00 H +ATOM 121 HB2 HIS A 9 -4.473 11.489 -6.087 1.00 1.00 H +ATOM 122 HB3 HIS A 9 -5.848 12.573 -6.056 1.00 1.00 H +ATOM 123 HD1 HIS A 9 -3.690 12.926 -3.077 1.00 1.00 H +ATOM 124 HD2 HIS A 9 -3.889 14.553 -6.940 1.00 1.00 H +ATOM 125 HE1 HIS A 9 -2.228 15.018 -3.048 1.00 1.00 H +ATOM 126 N SER A 10 -7.852 11.511 -5.007 1.00 1.00 N +ATOM 127 CA SER A 10 -9.158 10.962 -5.328 1.00 1.00 C +ATOM 128 C SER A 10 -9.088 10.172 -6.638 1.00 1.00 C +ATOM 129 O SER A 10 -10.072 9.563 -7.053 1.00 1.00 O +ATOM 130 CB SER A 10 -10.212 12.065 -5.429 1.00 1.00 C +ATOM 131 OG SER A 10 -9.648 13.305 -5.846 1.00 1.00 O +ATOM 132 H SER A 10 -7.754 12.491 -5.177 1.00 1.00 H +ATOM 133 HA SER A 10 -9.404 10.300 -4.496 1.00 1.00 H +ATOM 134 HB2 SER A 10 -10.987 11.764 -6.134 1.00 1.00 H +ATOM 135 HB3 SER A 10 -10.695 12.196 -4.460 1.00 1.00 H +ATOM 136 HG SER A 10 -9.250 13.783 -5.063 1.00 1.00 H +ATOM 137 N TRP A 11 -7.914 10.209 -7.250 1.00 1.00 N +ATOM 138 CA TRP A 11 -7.702 9.507 -8.505 1.00 1.00 C +ATOM 139 C TRP A 11 -6.683 8.394 -8.256 1.00 1.00 C +ATOM 140 O TRP A 11 -6.259 7.714 -9.191 1.00 1.00 O +ATOM 141 CB TRP A 11 -7.274 10.474 -9.609 1.00 1.00 C +ATOM 142 CG TRP A 11 -6.234 11.505 -9.165 1.00 1.00 C +ATOM 143 CD1 TRP A 11 -6.395 12.828 -9.017 1.00 1.00 C +ATOM 144 CD2 TRP A 11 -4.858 11.243 -8.817 1.00 1.00 C +ATOM 145 NE1 TRP A 11 -5.229 13.435 -8.599 1.00 1.00 N +ATOM 146 CE2 TRP A 11 -4.264 12.442 -8.474 1.00 1.00 C +ATOM 147 CE3 TRP A 11 -4.140 10.036 -8.793 1.00 1.00 C +ATOM 148 CZ2 TRP A 11 -2.925 12.547 -8.081 1.00 1.00 C +ATOM 149 CZ3 TRP A 11 -2.802 10.159 -8.399 1.00 1.00 C +ATOM 150 CH2 TRP A 11 -2.189 11.357 -8.050 1.00 1.00 C +ATOM 151 H TRP A 11 -7.118 10.707 -6.905 1.00 1.00 H +ATOM 152 HA TRP A 11 -8.656 9.077 -8.811 1.00 1.00 H +ATOM 153 HB2 TRP A 11 -6.869 9.901 -10.443 1.00 1.00 H +ATOM 154 HB3 TRP A 11 -8.154 10.998 -9.982 1.00 1.00 H +ATOM 155 HD1 TRP A 11 -7.330 13.357 -9.201 1.00 1.00 H +ATOM 156 HE1 TRP A 11 -5.088 14.498 -8.403 1.00 1.00 H +ATOM 157 HE3 TRP A 11 -4.587 9.078 -9.059 1.00 1.00 H +ATOM 158 HZ2 TRP A 11 -2.478 13.505 -7.814 1.00 1.00 H +ATOM 159 HZ3 TRP A 11 -2.198 9.251 -8.362 1.00 1.00 H +ATOM 160 HH2 TRP A 11 -1.140 11.368 -7.752 1.00 1.00 H +ATOM 161 N TYR A 12 -6.320 8.240 -6.991 1.00 1.00 N +ATOM 162 CA TYR A 12 -5.357 7.221 -6.609 1.00 1.00 C +ATOM 163 C TYR A 12 -6.026 6.115 -5.788 1.00 1.00 C +ATOM 164 O TYR A 12 -6.597 6.382 -4.731 1.00 1.00 O +ATOM 165 CB TYR A 12 -4.317 7.928 -5.737 1.00 1.00 C +ATOM 166 CG TYR A 12 -2.941 7.258 -5.742 1.00 1.00 C +ATOM 167 CD1 TYR A 12 -2.843 5.884 -5.674 1.00 1.00 C +ATOM 168 CD2 TYR A 12 -1.799 8.029 -5.815 1.00 1.00 C +ATOM 169 CE1 TYR A 12 -1.549 5.253 -5.679 1.00 1.00 C +ATOM 170 CE2 TYR A 12 -0.504 7.399 -5.821 1.00 1.00 C +ATOM 171 CZ TYR A 12 -0.442 6.043 -5.753 1.00 1.00 C +ATOM 172 OH TYR A 12 0.780 5.448 -5.758 1.00 1.00 O +ATOM 173 H TYR A 12 -6.668 8.796 -6.238 1.00 1.00 H +ATOM 174 HA TYR A 12 -4.945 6.787 -7.520 1.00 1.00 H +ATOM 175 HB2 TYR A 12 -4.212 8.958 -6.079 1.00 1.00 H +ATOM 176 HB3 TYR A 12 -4.685 7.969 -4.712 1.00 1.00 H +ATOM 177 HD1 TYR A 12 -3.744 5.274 -5.616 1.00 1.00 H +ATOM 178 HD2 TYR A 12 -1.878 9.116 -5.870 1.00 1.00 H +ATOM 179 HE1 TYR A 12 -1.455 4.169 -5.626 1.00 1.00 H +ATOM 180 HE2 TYR A 12 0.405 7.997 -5.878 1.00 1.00 H +ATOM 181 HH TYR A 12 0.721 4.548 -6.188 1.00 1.00 H +ATOM 182 N HIS A 13 -5.934 4.899 -6.306 1.00 1.00 N +ATOM 183 CA HIS A 13 -6.524 3.754 -5.635 1.00 1.00 C +ATOM 184 C HIS A 13 -5.521 2.599 -5.616 1.00 1.00 C +ATOM 185 O HIS A 13 -4.909 2.319 -4.586 1.00 1.00 O +ATOM 186 CB HIS A 13 -7.857 3.372 -6.282 1.00 1.00 C +ATOM 187 CG HIS A 13 -7.855 3.458 -7.790 1.00 1.00 C +ATOM 188 ND1 HIS A 13 -8.402 2.477 -8.597 1.00 1.00 N +ATOM 189 CD2 HIS A 13 -7.366 4.417 -8.628 1.00 1.00 C +ATOM 190 CE1 HIS A 13 -8.246 2.840 -9.862 1.00 1.00 C +ATOM 191 NE2 HIS A 13 -7.603 4.042 -9.878 1.00 1.00 N +ATOM 192 H HIS A 13 -5.468 4.692 -7.166 1.00 1.00 H +ATOM 193 HA HIS A 13 -6.728 4.063 -4.609 1.00 1.00 H +ATOM 194 HB2 HIS A 13 -8.113 2.355 -5.986 1.00 1.00 H +ATOM 195 HB3 HIS A 13 -8.638 4.024 -5.892 1.00 1.00 H +ATOM 196 HD1 HIS A 13 -8.844 1.637 -8.280 1.00 1.00 H +ATOM 197 HD2 HIS A 13 -6.867 5.336 -8.321 1.00 1.00 H +ATOM 198 HE1 HIS A 13 -8.573 2.276 -10.735 1.00 1.00 H +ATOM 199 N GLY A 14 -5.384 1.958 -6.768 1.00 1.00 N +ATOM 200 CA GLY A 14 -4.466 0.838 -6.897 1.00 1.00 C +ATOM 201 C GLY A 14 -4.400 0.347 -8.344 1.00 1.00 C +ATOM 202 O GLY A 14 -4.660 1.109 -9.275 1.00 1.00 O +ATOM 203 H GLY A 14 -5.885 2.191 -7.600 1.00 1.00 H +ATOM 204 HA2 GLY A 14 -3.472 1.138 -6.565 1.00 1.00 H +ATOM 205 HA3 GLY A 14 -4.787 0.024 -6.247 1.00 1.00 H +ATOM 206 N PRO A 15 -4.043 -0.957 -8.494 1.00 1.00 N +ATOM 207 CA PRO A 15 -3.939 -1.558 -9.813 1.00 1.00 C +ATOM 208 C PRO A 15 -5.325 -1.836 -10.397 1.00 1.00 C +ATOM 209 O PRO A 15 -6.077 -2.648 -9.861 1.00 1.00 O +ATOM 210 CB PRO A 15 -3.118 -2.820 -9.605 1.00 1.00 C +ATOM 211 CG PRO A 15 -3.186 -3.122 -8.117 1.00 1.00 C +ATOM 212 CD PRO A 15 -3.727 -1.888 -7.416 1.00 1.00 C +ATOM 213 HA PRO A 15 -3.495 -0.927 -10.449 1.00 1.00 H +ATOM 214 HB2 PRO A 15 -3.518 -3.647 -10.190 1.00 1.00 H +ATOM 215 HB3 PRO A 15 -2.085 -2.672 -9.927 1.00 1.00 H +ATOM 216 HG2 PRO A 15 -3.831 -3.981 -7.932 1.00 1.00 H +ATOM 217 HG3 PRO A 15 -2.198 -3.378 -7.734 1.00 1.00 H +ATOM 218 HD2 PRO A 15 -4.613 -2.125 -6.825 1.00 1.00 H +ATOM 219 HD3 PRO A 15 -2.991 -1.467 -6.730 1.00 1.00 H +ATOM 220 N VAL A 16 -5.620 -1.146 -11.490 1.00 1.00 N +ATOM 221 CA VAL A 16 -6.900 -1.309 -12.155 1.00 1.00 C +ATOM 222 C VAL A 16 -6.711 -1.157 -13.665 1.00 1.00 C +ATOM 223 O VAL A 16 -6.321 -0.091 -14.142 1.00 1.00 O +ATOM 224 CB VAL A 16 -7.919 -0.323 -11.578 1.00 1.00 C +ATOM 225 CG1 VAL A 16 -9.270 -0.455 -12.281 1.00 1.00 C +ATOM 226 CG2 VAL A 16 -8.067 -0.508 -10.066 1.00 1.00 C +ATOM 227 H VAL A 16 -5.001 -0.488 -11.921 1.00 1.00 H +ATOM 228 HA VAL A 16 -7.255 -2.320 -11.945 1.00 1.00 H +ATOM 229 HB VAL A 16 -7.546 0.686 -11.756 1.00 1.00 H +ATOM 230 HG11 VAL A 16 -9.120 -0.458 -13.361 1.00 1.00 H +ATOM 231 HG12 VAL A 16 -9.748 -1.388 -11.979 1.00 1.00 H +ATOM 232 HG13 VAL A 16 -9.907 0.385 -12.006 1.00 1.00 H +ATOM 233 HG21 VAL A 16 -8.041 -1.572 -9.827 1.00 1.00 H +ATOM 234 HG22 VAL A 16 -7.247 -0.002 -9.556 1.00 1.00 H +ATOM 235 HG23 VAL A 16 -9.016 -0.085 -9.740 1.00 1.00 H +ATOM 236 N SER A 17 -6.993 -2.239 -14.377 1.00 1.00 N +ATOM 237 CA SER A 17 -6.859 -2.238 -15.824 1.00 1.00 C +ATOM 238 C SER A 17 -8.019 -1.467 -16.457 1.00 1.00 C +ATOM 239 O SER A 17 -9.100 -1.377 -15.878 1.00 1.00 O +ATOM 240 CB SER A 17 -6.809 -3.665 -16.372 1.00 1.00 C +ATOM 241 OG SER A 17 -6.575 -3.688 -17.778 1.00 1.00 O +ATOM 242 H SER A 17 -7.310 -3.100 -13.982 1.00 1.00 H +ATOM 243 HA SER A 17 -5.911 -1.738 -16.026 1.00 1.00 H +ATOM 244 HB2 SER A 17 -6.020 -4.222 -15.864 1.00 1.00 H +ATOM 245 HB3 SER A 17 -7.748 -4.172 -16.153 1.00 1.00 H +ATOM 246 HG SER A 17 -7.186 -3.043 -18.237 1.00 1.00 H +ATOM 247 N ARG A 18 -7.754 -0.929 -17.640 1.00 1.00 N +ATOM 248 CA ARG A 18 -8.762 -0.168 -18.358 1.00 1.00 C +ATOM 249 C ARG A 18 -10.103 -0.901 -18.324 1.00 1.00 C +ATOM 250 O ARG A 18 -11.159 -0.270 -18.306 1.00 1.00 O +ATOM 251 CB ARG A 18 -8.348 0.058 -19.814 1.00 1.00 C +ATOM 252 CG ARG A 18 -6.959 0.695 -19.897 1.00 1.00 C +ATOM 253 CD ARG A 18 -6.068 -0.059 -20.886 1.00 1.00 C +ATOM 254 NE ARG A 18 -6.672 -0.028 -22.238 1.00 1.00 N +ATOM 255 CZ ARG A 18 -7.155 -1.105 -22.869 1.00 1.00 C +ATOM 256 NH1 ARG A 18 -7.108 -2.307 -22.276 1.00 1.00 N +ATOM 257 NH2 ARG A 18 -7.685 -0.983 -24.094 1.00 1.00 N +ATOM 258 H ARG A 18 -6.872 -1.006 -18.103 1.00 1.00 H +ATOM 259 HA ARG A 18 -8.821 0.784 -17.830 1.00 1.00 H +ATOM 260 HB2 ARG A 18 -8.347 -0.894 -20.347 1.00 1.00 H +ATOM 261 HB3 ARG A 18 -9.077 0.699 -20.308 1.00 1.00 H +ATOM 262 HG2 ARG A 18 -7.052 1.737 -20.205 1.00 1.00 H +ATOM 263 HG3 ARG A 18 -6.496 0.694 -18.910 1.00 1.00 H +ATOM 264 HD2 ARG A 18 -5.076 0.392 -20.912 1.00 1.00 H +ATOM 265 HD3 ARG A 18 -5.940 -1.091 -20.560 1.00 1.00 H +ATOM 266 HE ARG A 18 -6.722 0.854 -22.708 1.00 1.00 H +ATOM 267 HH11 ARG A 18 -6.712 -2.398 -21.362 1.00 1.00 H +ATOM 268 HH12 ARG A 18 -7.469 -3.112 -22.748 1.00 1.00 H +ATOM 269 HH21 ARG A 18 -7.719 -0.086 -24.536 1.00 1.00 H +ATOM 270 HH22 ARG A 18 -8.046 -1.788 -24.565 1.00 1.00 H +ATOM 271 N ASN A 19 -10.020 -2.223 -18.316 1.00 1.00 N +ATOM 272 CA ASN A 19 -11.216 -3.049 -18.284 1.00 1.00 C +ATOM 273 C ASN A 19 -12.179 -2.502 -17.230 1.00 1.00 C +ATOM 274 O ASN A 19 -13.285 -2.071 -17.558 1.00 1.00 O +ATOM 275 CB ASN A 19 -10.877 -4.494 -17.912 1.00 1.00 C +ATOM 276 CG ASN A 19 -10.146 -5.198 -19.057 1.00 1.00 C +ATOM 277 OD1 ASN A 19 -10.564 -5.173 -20.203 1.00 1.00 O +ATOM 278 ND2 ASN A 19 -9.036 -5.826 -18.684 1.00 1.00 N +ATOM 279 H ASN A 19 -9.157 -2.729 -18.329 1.00 1.00 H +ATOM 280 HA ASN A 19 -11.627 -2.997 -19.292 1.00 1.00 H +ATOM 281 HB2 ASN A 19 -10.256 -4.506 -17.017 1.00 1.00 H +ATOM 282 HB3 ASN A 19 -11.793 -5.035 -17.671 1.00 1.00 H +ATOM 283 HD21 ASN A 19 -8.748 -5.808 -17.726 1.00 1.00 H +ATOM 284 HD22 ASN A 19 -8.487 -6.316 -19.360 1.00 1.00 H +ATOM 285 N ALA A 20 -11.727 -2.537 -15.985 1.00 1.00 N +ATOM 286 CA ALA A 20 -12.536 -2.051 -14.881 1.00 1.00 C +ATOM 287 C ALA A 20 -12.722 -0.538 -15.018 1.00 1.00 C +ATOM 288 O ALA A 20 -13.831 -0.029 -14.863 1.00 1.00 O +ATOM 289 CB ALA A 20 -11.877 -2.439 -13.556 1.00 1.00 C +ATOM 290 H ALA A 20 -10.828 -2.889 -15.726 1.00 1.00 H +ATOM 291 HA ALA A 20 -13.510 -2.535 -14.944 1.00 1.00 H +ATOM 292 HB1 ALA A 20 -11.756 -3.521 -13.513 1.00 1.00 H +ATOM 293 HB2 ALA A 20 -10.901 -1.960 -13.481 1.00 1.00 H +ATOM 294 HB3 ALA A 20 -12.507 -2.112 -12.727 1.00 1.00 H +ATOM 295 N ALA A 21 -11.619 0.139 -15.306 1.00 1.00 N +ATOM 296 CA ALA A 21 -11.647 1.583 -15.465 1.00 1.00 C +ATOM 297 C ALA A 21 -12.834 1.970 -16.351 1.00 1.00 C +ATOM 298 O ALA A 21 -13.493 2.979 -16.102 1.00 1.00 O +ATOM 299 CB ALA A 21 -10.310 2.058 -16.040 1.00 1.00 C +ATOM 300 H ALA A 21 -10.721 -0.284 -15.430 1.00 1.00 H +ATOM 301 HA ALA A 21 -11.781 2.022 -14.478 1.00 1.00 H +ATOM 302 HB1 ALA A 21 -9.495 1.527 -15.549 1.00 1.00 H +ATOM 303 HB2 ALA A 21 -10.283 1.857 -17.111 1.00 1.00 H +ATOM 304 HB3 ALA A 21 -10.203 3.129 -15.869 1.00 1.00 H +ATOM 305 N GLU A 22 -13.069 1.150 -17.363 1.00 1.00 N +ATOM 306 CA GLU A 22 -14.164 1.396 -18.286 1.00 1.00 C +ATOM 307 C GLU A 22 -15.502 1.066 -17.621 1.00 1.00 C +ATOM 308 O GLU A 22 -16.513 1.707 -17.901 1.00 1.00 O +ATOM 309 CB GLU A 22 -13.982 0.595 -19.578 1.00 1.00 C +ATOM 310 CG GLU A 22 -13.435 1.481 -20.698 1.00 1.00 C +ATOM 311 CD GLU A 22 -14.226 1.280 -21.992 1.00 1.00 C +ATOM 312 OE1 GLU A 22 -14.119 0.171 -22.557 1.00 1.00 O +ATOM 313 OE2 GLU A 22 -14.921 2.241 -22.387 1.00 1.00 O +ATOM 314 H GLU A 22 -12.527 0.332 -17.559 1.00 1.00 H +ATOM 315 HA GLU A 22 -14.116 2.460 -18.516 1.00 1.00 H +ATOM 316 HB2 GLU A 22 -13.302 -0.237 -19.401 1.00 1.00 H +ATOM 317 HB3 GLU A 22 -14.938 0.167 -19.882 1.00 1.00 H +ATOM 318 HG2 GLU A 22 -13.483 2.527 -20.397 1.00 1.00 H +ATOM 319 HG3 GLU A 22 -12.384 1.248 -20.871 1.00 1.00 H +ATOM 320 N TYR A 23 -15.465 0.066 -16.752 1.00 1.00 N +ATOM 321 CA TYR A 23 -16.662 -0.356 -16.045 1.00 1.00 C +ATOM 322 C TYR A 23 -16.999 0.615 -14.911 1.00 1.00 C +ATOM 323 O TYR A 23 -18.057 1.242 -14.921 1.00 1.00 O +ATOM 324 CB TYR A 23 -16.337 -1.726 -15.447 1.00 1.00 C +ATOM 325 CG TYR A 23 -17.487 -2.345 -14.651 1.00 1.00 C +ATOM 326 CD1 TYR A 23 -17.732 -1.933 -13.357 1.00 1.00 C +ATOM 327 CD2 TYR A 23 -18.280 -3.319 -15.226 1.00 1.00 C +ATOM 328 CE1 TYR A 23 -18.814 -2.515 -12.607 1.00 1.00 C +ATOM 329 CE2 TYR A 23 -19.362 -3.902 -14.476 1.00 1.00 C +ATOM 330 CZ TYR A 23 -19.576 -3.471 -13.203 1.00 1.00 C +ATOM 331 OH TYR A 23 -20.599 -4.023 -12.496 1.00 1.00 O +ATOM 332 H TYR A 23 -14.638 -0.451 -16.529 1.00 1.00 H +ATOM 333 HA TYR A 23 -17.485 -0.371 -16.758 1.00 1.00 H +ATOM 334 HB2 TYR A 23 -16.058 -2.406 -16.252 1.00 1.00 H +ATOM 335 HB3 TYR A 23 -15.467 -1.631 -14.796 1.00 1.00 H +ATOM 336 HD1 TYR A 23 -17.106 -1.164 -12.903 1.00 1.00 H +ATOM 337 HD2 TYR A 23 -18.085 -3.644 -16.248 1.00 1.00 H +ATOM 338 HE1 TYR A 23 -19.019 -2.198 -11.584 1.00 1.00 H +ATOM 339 HE2 TYR A 23 -19.996 -4.670 -14.918 1.00 1.00 H +ATOM 340 HH TYR A 23 -20.357 -4.951 -12.213 1.00 1.00 H +ATOM 341 N LEU A 24 -16.081 0.708 -13.961 1.00 1.00 N +ATOM 342 CA LEU A 24 -16.268 1.591 -12.823 1.00 1.00 C +ATOM 343 C LEU A 24 -16.784 2.946 -13.313 1.00 1.00 C +ATOM 344 O LEU A 24 -17.641 3.555 -12.677 1.00 1.00 O +ATOM 345 CB LEU A 24 -14.982 1.685 -11.999 1.00 1.00 C +ATOM 346 CG LEU A 24 -13.727 2.115 -12.762 1.00 1.00 C +ATOM 347 CD1 LEU A 24 -13.549 3.634 -12.710 1.00 1.00 C +ATOM 348 CD2 LEU A 24 -12.491 1.375 -12.246 1.00 1.00 C +ATOM 349 H LEU A 24 -15.224 0.194 -13.960 1.00 1.00 H +ATOM 350 HA LEU A 24 -17.028 1.143 -12.184 1.00 1.00 H +ATOM 351 HB2 LEU A 24 -15.147 2.387 -11.184 1.00 1.00 H +ATOM 352 HB3 LEU A 24 -14.793 0.710 -11.548 1.00 1.00 H +ATOM 353 HG LEU A 24 -13.852 1.840 -13.809 1.00 1.00 H +ATOM 354 HD11 LEU A 24 -14.527 4.113 -12.667 1.00 1.00 H +ATOM 355 HD12 LEU A 24 -12.974 3.903 -11.825 1.00 1.00 H +ATOM 356 HD13 LEU A 24 -13.021 3.968 -13.603 1.00 1.00 H +ATOM 357 HD21 LEU A 24 -12.761 0.783 -11.372 1.00 1.00 H +ATOM 358 HD22 LEU A 24 -12.108 0.718 -13.026 1.00 1.00 H +ATOM 359 HD23 LEU A 24 -11.723 2.098 -11.970 1.00 1.00 H +ATOM 360 N LEU A 25 -16.238 3.378 -14.441 1.00 1.00 N +ATOM 361 CA LEU A 25 -16.632 4.648 -15.025 1.00 1.00 C +ATOM 362 C LEU A 25 -18.123 4.609 -15.363 1.00 1.00 C +ATOM 363 O LEU A 25 -18.911 3.996 -14.645 1.00 1.00 O +ATOM 364 CB LEU A 25 -15.737 4.990 -16.219 1.00 1.00 C +ATOM 365 CG LEU A 25 -15.677 6.468 -16.611 1.00 1.00 C +ATOM 366 CD1 LEU A 25 -14.456 7.149 -15.990 1.00 1.00 C +ATOM 367 CD2 LEU A 25 -15.715 6.634 -18.131 1.00 1.00 C +ATOM 368 H LEU A 25 -15.540 2.876 -14.953 1.00 1.00 H +ATOM 369 HA LEU A 25 -16.469 5.419 -14.270 1.00 1.00 H +ATOM 370 HB2 LEU A 25 -14.726 4.651 -15.998 1.00 1.00 H +ATOM 371 HB3 LEU A 25 -16.085 4.420 -17.081 1.00 1.00 H +ATOM 372 HG LEU A 25 -16.561 6.964 -16.210 1.00 1.00 H +ATOM 373 HD11 LEU A 25 -14.042 6.512 -15.208 1.00 1.00 H +ATOM 374 HD12 LEU A 25 -13.703 7.317 -16.759 1.00 1.00 H +ATOM 375 HD13 LEU A 25 -14.754 8.105 -15.559 1.00 1.00 H +ATOM 376 HD21 LEU A 25 -14.895 6.072 -18.578 1.00 1.00 H +ATOM 377 HD22 LEU A 25 -16.665 6.258 -18.514 1.00 1.00 H +ATOM 378 HD23 LEU A 25 -15.614 7.690 -18.382 1.00 1.00 H +ATOM 379 N SER A 26 -18.466 5.270 -16.459 1.00 1.00 N +ATOM 380 CA SER A 26 -19.849 5.319 -16.903 1.00 1.00 C +ATOM 381 C SER A 26 -20.597 6.428 -16.161 1.00 1.00 C +ATOM 382 O SER A 26 -21.329 7.205 -16.774 1.00 1.00 O +ATOM 383 CB SER A 26 -20.544 3.974 -16.686 1.00 1.00 C +ATOM 384 OG SER A 26 -19.682 2.875 -16.971 1.00 1.00 O +ATOM 385 H SER A 26 -17.819 5.767 -17.039 1.00 1.00 H +ATOM 386 HA SER A 26 -19.801 5.536 -17.970 1.00 1.00 H +ATOM 387 HB2 SER A 26 -20.888 3.904 -15.655 1.00 1.00 H +ATOM 388 HB3 SER A 26 -21.427 3.914 -17.323 1.00 1.00 H +ATOM 389 HG SER A 26 -18.762 3.207 -17.183 1.00 1.00 H +ATOM 390 N SER A 27 -20.389 6.466 -14.853 1.00 1.00 N +ATOM 391 CA SER A 27 -21.035 7.467 -14.022 1.00 1.00 C +ATOM 392 C SER A 27 -20.116 8.677 -13.849 1.00 1.00 C +ATOM 393 O SER A 27 -19.818 9.079 -12.724 1.00 1.00 O +ATOM 394 CB SER A 27 -21.415 6.890 -12.657 1.00 1.00 C +ATOM 395 OG SER A 27 -21.800 7.906 -11.735 1.00 1.00 O +ATOM 396 H SER A 27 -19.793 5.831 -14.363 1.00 1.00 H +ATOM 397 HA SER A 27 -21.941 7.749 -14.560 1.00 1.00 H +ATOM 398 HB2 SER A 27 -22.234 6.180 -12.778 1.00 1.00 H +ATOM 399 HB3 SER A 27 -20.571 6.333 -12.252 1.00 1.00 H +ATOM 400 HG SER A 27 -20.988 8.321 -11.325 1.00 1.00 H +ATOM 401 N GLY A 28 -19.689 9.224 -14.978 1.00 1.00 N +ATOM 402 CA GLY A 28 -18.809 10.380 -14.965 1.00 1.00 C +ATOM 403 C GLY A 28 -19.435 11.555 -15.719 1.00 1.00 C +ATOM 404 O GLY A 28 -20.604 11.502 -16.095 1.00 1.00 O +ATOM 405 H GLY A 28 -19.936 8.891 -15.888 1.00 1.00 H +ATOM 406 HA2 GLY A 28 -18.602 10.672 -13.935 1.00 1.00 H +ATOM 407 HA3 GLY A 28 -17.854 10.119 -15.420 1.00 1.00 H +ATOM 408 N ILE A 29 -18.629 12.587 -15.916 1.00 1.00 N +ATOM 409 CA ILE A 29 -19.090 13.773 -16.618 1.00 1.00 C +ATOM 410 C ILE A 29 -18.253 13.967 -17.884 1.00 1.00 C +ATOM 411 O ILE A 29 -17.685 13.011 -18.409 1.00 1.00 O +ATOM 412 CB ILE A 29 -19.080 14.985 -15.684 1.00 1.00 C +ATOM 413 CG1 ILE A 29 -17.664 15.539 -15.516 1.00 1.00 C +ATOM 414 CG2 ILE A 29 -19.726 14.644 -14.339 1.00 1.00 C +ATOM 415 CD1 ILE A 29 -17.664 16.782 -14.624 1.00 1.00 C +ATOM 416 H ILE A 29 -17.678 12.622 -15.606 1.00 1.00 H +ATOM 417 HA ILE A 29 -20.124 13.598 -16.910 1.00 1.00 H +ATOM 418 HB ILE A 29 -19.682 15.771 -16.139 1.00 1.00 H +ATOM 419 HG12 ILE A 29 -17.020 14.774 -15.082 1.00 1.00 H +ATOM 420 HG13 ILE A 29 -17.251 15.788 -16.494 1.00 1.00 H +ATOM 421 HG21 ILE A 29 -19.304 13.716 -13.957 1.00 1.00 H +ATOM 422 HG22 ILE A 29 -19.534 15.450 -13.629 1.00 1.00 H +ATOM 423 HG23 ILE A 29 -20.801 14.527 -14.472 1.00 1.00 H +ATOM 424 HD11 ILE A 29 -18.512 17.416 -14.883 1.00 1.00 H +ATOM 425 HD12 ILE A 29 -17.743 16.479 -13.580 1.00 1.00 H +ATOM 426 HD13 ILE A 29 -16.737 17.335 -14.772 1.00 1.00 H +ATOM 427 N ASN A 30 -18.205 15.211 -18.338 1.00 1.00 N +ATOM 428 CA ASN A 30 -17.447 15.543 -19.533 1.00 1.00 C +ATOM 429 C ASN A 30 -15.963 15.643 -19.180 1.00 1.00 C +ATOM 430 O ASN A 30 -15.192 16.284 -19.894 1.00 1.00 O +ATOM 431 CB ASN A 30 -17.888 16.891 -20.108 1.00 1.00 C +ATOM 432 CG ASN A 30 -17.573 18.029 -19.136 1.00 1.00 C +ATOM 433 OD1 ASN A 30 -16.432 18.288 -18.791 1.00 1.00 O +ATOM 434 ND2 ASN A 30 -18.645 18.696 -18.717 1.00 1.00 N +ATOM 435 H ASN A 30 -18.670 15.982 -17.904 1.00 1.00 H +ATOM 436 HA ASN A 30 -17.656 14.736 -20.236 1.00 1.00 H +ATOM 437 HB2 ASN A 30 -17.385 17.067 -21.058 1.00 1.00 H +ATOM 438 HB3 ASN A 30 -18.959 16.870 -20.313 1.00 1.00 H +ATOM 439 HD21 ASN A 30 -19.555 18.432 -19.039 1.00 1.00 H +ATOM 440 HD22 ASN A 30 -18.542 19.459 -18.079 1.00 1.00 H +ATOM 441 N GLY A 31 -15.606 14.999 -18.078 1.00 1.00 N +ATOM 442 CA GLY A 31 -14.225 15.008 -17.621 1.00 1.00 C +ATOM 443 C GLY A 31 -14.050 14.115 -16.390 1.00 1.00 C +ATOM 444 O GLY A 31 -14.510 14.456 -15.301 1.00 1.00 O +ATOM 445 H GLY A 31 -16.237 14.480 -17.502 1.00 1.00 H +ATOM 446 HA2 GLY A 31 -13.572 14.662 -18.421 1.00 1.00 H +ATOM 447 HA3 GLY A 31 -13.923 16.027 -17.382 1.00 1.00 H +ATOM 448 N SER A 32 -13.384 12.990 -16.604 1.00 1.00 N +ATOM 449 CA SER A 32 -13.142 12.046 -15.525 1.00 1.00 C +ATOM 450 C SER A 32 -11.864 11.253 -15.801 1.00 1.00 C +ATOM 451 O SER A 32 -11.677 10.732 -16.899 1.00 1.00 O +ATOM 452 CB SER A 32 -14.329 11.097 -15.349 1.00 1.00 C +ATOM 453 OG SER A 32 -15.012 11.318 -14.118 1.00 1.00 O +ATOM 454 H SER A 32 -13.014 12.720 -17.492 1.00 1.00 H +ATOM 455 HA SER A 32 -13.030 12.656 -14.629 1.00 1.00 H +ATOM 456 HB2 SER A 32 -15.025 11.227 -16.178 1.00 1.00 H +ATOM 457 HB3 SER A 32 -13.977 10.067 -15.388 1.00 1.00 H +ATOM 458 HG SER A 32 -15.054 10.469 -13.592 1.00 1.00 H +ATOM 459 N PHE A 33 -11.016 11.189 -14.785 1.00 1.00 N +ATOM 460 CA PHE A 33 -9.759 10.468 -14.903 1.00 1.00 C +ATOM 461 C PHE A 33 -9.505 9.604 -13.667 1.00 1.00 C +ATOM 462 O PHE A 33 -10.059 9.861 -12.600 1.00 1.00 O +ATOM 463 CB PHE A 33 -8.651 11.517 -15.015 1.00 1.00 C +ATOM 464 CG PHE A 33 -8.570 12.467 -13.818 1.00 1.00 C +ATOM 465 CD1 PHE A 33 -9.604 13.309 -13.547 1.00 1.00 C +ATOM 466 CD2 PHE A 33 -7.466 12.469 -13.024 1.00 1.00 C +ATOM 467 CE1 PHE A 33 -9.530 14.190 -12.435 1.00 1.00 C +ATOM 468 CE2 PHE A 33 -7.391 13.351 -11.914 1.00 1.00 C +ATOM 469 CZ PHE A 33 -8.424 14.192 -11.642 1.00 1.00 C +ATOM 470 H PHE A 33 -11.175 11.617 -13.895 1.00 1.00 H +ATOM 471 HA PHE A 33 -9.835 9.829 -15.783 1.00 1.00 H +ATOM 472 HB2 PHE A 33 -7.694 11.008 -15.127 1.00 1.00 H +ATOM 473 HB3 PHE A 33 -8.809 12.103 -15.921 1.00 1.00 H +ATOM 474 HD1 PHE A 33 -10.489 13.307 -14.181 1.00 1.00 H +ATOM 475 HD2 PHE A 33 -6.638 11.795 -13.242 1.00 1.00 H +ATOM 476 HE1 PHE A 33 -10.358 14.864 -12.218 1.00 1.00 H +ATOM 477 HE2 PHE A 33 -6.505 13.353 -11.278 1.00 1.00 H +ATOM 478 HZ PHE A 33 -8.367 14.869 -10.790 1.00 1.00 H +ATOM 479 N LEU A 34 -8.665 8.595 -13.853 1.00 1.00 N +ATOM 480 CA LEU A 34 -8.330 7.692 -12.765 1.00 1.00 C +ATOM 481 C LEU A 34 -6.971 7.045 -13.045 1.00 1.00 C +ATOM 482 O LEU A 34 -6.761 6.476 -14.116 1.00 1.00 O +ATOM 483 CB LEU A 34 -9.457 6.680 -12.543 1.00 1.00 C +ATOM 484 CG LEU A 34 -10.035 6.032 -13.802 1.00 1.00 C +ATOM 485 CD1 LEU A 34 -10.107 4.511 -13.651 1.00 1.00 C +ATOM 486 CD2 LEU A 34 -11.394 6.638 -14.156 1.00 1.00 C +ATOM 487 H LEU A 34 -8.218 8.392 -14.724 1.00 1.00 H +ATOM 488 HA LEU A 34 -8.249 8.288 -11.857 1.00 1.00 H +ATOM 489 HB2 LEU A 34 -9.087 5.891 -11.888 1.00 1.00 H +ATOM 490 HB3 LEU A 34 -10.267 7.180 -12.012 1.00 1.00 H +ATOM 491 HG LEU A 34 -9.362 6.242 -14.634 1.00 1.00 H +ATOM 492 HD11 LEU A 34 -10.240 4.256 -12.600 1.00 1.00 H +ATOM 493 HD12 LEU A 34 -10.949 4.128 -14.227 1.00 1.00 H +ATOM 494 HD13 LEU A 34 -9.183 4.065 -14.019 1.00 1.00 H +ATOM 495 HD21 LEU A 34 -11.792 7.169 -13.293 1.00 1.00 H +ATOM 496 HD22 LEU A 34 -11.277 7.332 -14.989 1.00 1.00 H +ATOM 497 HD23 LEU A 34 -12.084 5.843 -14.442 1.00 1.00 H +ATOM 498 N VAL A 35 -6.087 7.155 -12.066 1.00 1.00 N +ATOM 499 CA VAL A 35 -4.755 6.588 -12.193 1.00 1.00 C +ATOM 500 C VAL A 35 -4.840 5.065 -12.077 1.00 1.00 C +ATOM 501 O VAL A 35 -5.534 4.544 -11.206 1.00 1.00 O +ATOM 502 CB VAL A 35 -3.818 7.216 -11.160 1.00 1.00 C +ATOM 503 CG1 VAL A 35 -3.901 6.476 -9.824 1.00 1.00 C +ATOM 504 CG2 VAL A 35 -2.379 7.255 -11.677 1.00 1.00 C +ATOM 505 H VAL A 35 -6.267 7.618 -11.199 1.00 1.00 H +ATOM 506 HA VAL A 35 -4.382 6.844 -13.186 1.00 1.00 H +ATOM 507 HB VAL A 35 -4.142 8.244 -10.995 1.00 1.00 H +ATOM 508 HG11 VAL A 35 -4.903 6.067 -9.697 1.00 1.00 H +ATOM 509 HG12 VAL A 35 -3.173 5.665 -9.811 1.00 1.00 H +ATOM 510 HG13 VAL A 35 -3.687 7.170 -9.010 1.00 1.00 H +ATOM 511 HG21 VAL A 35 -2.338 6.818 -12.674 1.00 1.00 H +ATOM 512 HG22 VAL A 35 -2.035 8.288 -11.718 1.00 1.00 H +ATOM 513 HG23 VAL A 35 -1.736 6.685 -11.005 1.00 1.00 H +ATOM 514 N ARG A 36 -4.122 4.394 -12.966 1.00 1.00 N +ATOM 515 CA ARG A 36 -4.108 2.942 -12.973 1.00 1.00 C +ATOM 516 C ARG A 36 -2.668 2.426 -12.954 1.00 1.00 C +ATOM 517 O ARG A 36 -1.991 2.427 -13.982 1.00 1.00 O +ATOM 518 CB ARG A 36 -4.825 2.389 -14.207 1.00 1.00 C +ATOM 519 CG ARG A 36 -5.020 3.481 -15.260 1.00 1.00 C +ATOM 520 CD ARG A 36 -5.723 2.925 -16.502 1.00 1.00 C +ATOM 521 NE ARG A 36 -5.553 3.857 -17.639 1.00 1.00 N +ATOM 522 CZ ARG A 36 -5.098 3.494 -18.846 1.00 1.00 C +ATOM 523 NH1 ARG A 36 -4.764 2.217 -19.079 1.00 1.00 N +ATOM 524 NH2 ARG A 36 -4.977 4.406 -19.819 1.00 1.00 N +ATOM 525 H ARG A 36 -3.560 4.826 -13.670 1.00 1.00 H +ATOM 526 HA ARG A 36 -4.639 2.653 -12.067 1.00 1.00 H +ATOM 527 HB2 ARG A 36 -4.246 1.568 -14.632 1.00 1.00 H +ATOM 528 HB3 ARG A 36 -5.793 1.980 -13.917 1.00 1.00 H +ATOM 529 HG2 ARG A 36 -5.610 4.296 -14.840 1.00 1.00 H +ATOM 530 HG3 ARG A 36 -4.054 3.898 -15.542 1.00 1.00 H +ATOM 531 HD2 ARG A 36 -5.310 1.949 -16.756 1.00 1.00 H +ATOM 532 HD3 ARG A 36 -6.783 2.780 -16.294 1.00 1.00 H +ATOM 533 HE ARG A 36 -5.793 4.818 -17.498 1.00 1.00 H +ATOM 534 HH11 ARG A 36 -4.855 1.535 -18.353 1.00 1.00 H +ATOM 535 HH12 ARG A 36 -4.424 1.945 -19.980 1.00 1.00 H +ATOM 536 HH21 ARG A 36 -5.226 5.359 -19.645 1.00 1.00 H +ATOM 537 HH22 ARG A 36 -4.636 4.136 -20.720 1.00 1.00 H +ATOM 538 N GLU A 37 -2.241 1.996 -11.776 1.00 1.00 N +ATOM 539 CA GLU A 37 -0.894 1.478 -11.611 1.00 1.00 C +ATOM 540 C GLU A 37 -0.836 0.007 -12.026 1.00 1.00 C +ATOM 541 O GLU A 37 -1.729 -0.772 -11.693 1.00 1.00 O +ATOM 542 CB GLU A 37 -0.410 1.660 -10.170 1.00 1.00 C +ATOM 543 CG GLU A 37 0.726 0.687 -9.848 1.00 1.00 C +ATOM 544 CD GLU A 37 0.204 -0.534 -9.089 1.00 1.00 C +ATOM 545 OE1 GLU A 37 -1.005 -0.820 -9.236 1.00 1.00 O +ATOM 546 OE2 GLU A 37 1.025 -1.157 -8.382 1.00 1.00 O +ATOM 547 H GLU A 37 -2.798 1.999 -10.945 1.00 1.00 H +ATOM 548 HA GLU A 37 -0.270 2.075 -12.275 1.00 1.00 H +ATOM 549 HB2 GLU A 37 -0.070 2.684 -10.024 1.00 1.00 H +ATOM 550 HB3 GLU A 37 -1.238 1.498 -9.481 1.00 1.00 H +ATOM 551 HG2 GLU A 37 1.210 0.369 -10.771 1.00 1.00 H +ATOM 552 HG3 GLU A 37 1.485 1.194 -9.251 1.00 1.00 H +ATOM 553 N SER A 38 0.222 -0.329 -12.749 1.00 1.00 N +ATOM 554 CA SER A 38 0.408 -1.695 -13.214 1.00 1.00 C +ATOM 555 C SER A 38 0.722 -2.611 -12.031 1.00 1.00 C +ATOM 556 O SER A 38 1.206 -2.153 -10.997 1.00 1.00 O +ATOM 557 CB SER A 38 1.524 -1.772 -14.259 1.00 1.00 C +ATOM 558 OG SER A 38 1.911 -3.116 -14.525 1.00 1.00 O +ATOM 559 H SER A 38 0.943 0.310 -13.015 1.00 1.00 H +ATOM 560 HA SER A 38 -0.540 -1.974 -13.674 1.00 1.00 H +ATOM 561 HB2 SER A 38 1.189 -1.301 -15.183 1.00 1.00 H +ATOM 562 HB3 SER A 38 2.388 -1.209 -13.909 1.00 1.00 H +ATOM 563 HG SER A 38 2.175 -3.573 -13.676 1.00 1.00 H +ATOM 564 N GLU A 39 0.438 -3.891 -12.224 1.00 1.00 N +ATOM 565 CA GLU A 39 0.685 -4.877 -11.186 1.00 1.00 C +ATOM 566 C GLU A 39 2.115 -5.410 -11.290 1.00 1.00 C +ATOM 567 O GLU A 39 2.967 -5.076 -10.468 1.00 1.00 O +ATOM 568 CB GLU A 39 -0.332 -6.018 -11.262 1.00 1.00 C +ATOM 569 CG GLU A 39 -0.250 -6.909 -10.020 1.00 1.00 C +ATOM 570 CD GLU A 39 0.360 -6.149 -8.839 1.00 1.00 C +ATOM 571 OE1 GLU A 39 1.602 -6.200 -8.713 1.00 1.00 O +ATOM 572 OE2 GLU A 39 -0.431 -5.536 -8.091 1.00 1.00 O +ATOM 573 H GLU A 39 0.046 -4.256 -13.068 1.00 1.00 H +ATOM 574 HA GLU A 39 0.555 -4.346 -10.244 1.00 1.00 H +ATOM 575 HB2 GLU A 39 -1.339 -5.608 -11.352 1.00 1.00 H +ATOM 576 HB3 GLU A 39 -0.150 -6.615 -12.154 1.00 1.00 H +ATOM 577 HG2 GLU A 39 -1.246 -7.262 -9.755 1.00 1.00 H +ATOM 578 HG3 GLU A 39 0.354 -7.790 -10.240 1.00 1.00 H +ATOM 579 N SER A 40 2.335 -6.232 -12.306 1.00 1.00 N +ATOM 580 CA SER A 40 3.647 -6.814 -12.527 1.00 1.00 C +ATOM 581 C SER A 40 4.476 -5.907 -13.440 1.00 1.00 C +ATOM 582 O SER A 40 4.809 -6.286 -14.562 1.00 1.00 O +ATOM 583 CB SER A 40 3.533 -8.214 -13.134 1.00 1.00 C +ATOM 584 OG SER A 40 4.810 -8.772 -13.434 1.00 1.00 O +ATOM 585 H SER A 40 1.636 -6.499 -12.970 1.00 1.00 H +ATOM 586 HA SER A 40 4.103 -6.882 -11.539 1.00 1.00 H +ATOM 587 HB2 SER A 40 3.007 -8.868 -12.438 1.00 1.00 H +ATOM 588 HB3 SER A 40 2.935 -8.168 -14.043 1.00 1.00 H +ATOM 589 HG SER A 40 5.388 -8.085 -13.874 1.00 1.00 H +ATOM 590 N SER A 41 4.782 -4.725 -12.925 1.00 1.00 N +ATOM 591 CA SER A 41 5.566 -3.761 -13.680 1.00 1.00 C +ATOM 592 C SER A 41 6.757 -3.286 -12.845 1.00 1.00 C +ATOM 593 O SER A 41 6.771 -3.454 -11.626 1.00 1.00 O +ATOM 594 CB SER A 41 4.708 -2.569 -14.107 1.00 1.00 C +ATOM 595 OG SER A 41 4.277 -2.679 -15.461 1.00 1.00 O +ATOM 596 H SER A 41 4.507 -4.424 -12.011 1.00 1.00 H +ATOM 597 HA SER A 41 5.908 -4.297 -14.565 1.00 1.00 H +ATOM 598 HB2 SER A 41 3.837 -2.496 -13.455 1.00 1.00 H +ATOM 599 HB3 SER A 41 5.277 -1.649 -13.982 1.00 1.00 H +ATOM 600 HG SER A 41 5.017 -3.042 -16.026 1.00 1.00 H +ATOM 601 N PRO A 42 7.750 -2.686 -13.551 1.00 1.00 N +ATOM 602 CA PRO A 42 8.942 -2.185 -12.889 1.00 1.00 C +ATOM 603 C PRO A 42 8.648 -0.886 -12.136 1.00 1.00 C +ATOM 604 O PRO A 42 9.505 -0.368 -11.422 1.00 1.00 O +ATOM 605 CB PRO A 42 9.966 -2.008 -13.999 1.00 1.00 C +ATOM 606 CG PRO A 42 9.173 -1.972 -15.295 1.00 1.00 C +ATOM 607 CD PRO A 42 7.767 -2.469 -14.995 1.00 1.00 C +ATOM 608 HA PRO A 42 9.255 -2.837 -12.198 1.00 1.00 H +ATOM 609 HB2 PRO A 42 10.535 -1.088 -13.864 1.00 1.00 H +ATOM 610 HB3 PRO A 42 10.683 -2.829 -14.004 1.00 1.00 H +ATOM 611 HG2 PRO A 42 9.141 -0.959 -15.695 1.00 1.00 H +ATOM 612 HG3 PRO A 42 9.645 -2.599 -16.051 1.00 1.00 H +ATOM 613 HD2 PRO A 42 7.016 -1.738 -15.294 1.00 1.00 H +ATOM 614 HD3 PRO A 42 7.550 -3.390 -15.537 1.00 1.00 H +ATOM 615 N GLY A 43 7.430 -0.396 -12.322 1.00 1.00 N +ATOM 616 CA GLY A 43 7.011 0.833 -11.670 1.00 1.00 C +ATOM 617 C GLY A 43 6.388 1.803 -12.676 1.00 1.00 C +ATOM 618 O GLY A 43 6.762 2.973 -12.727 1.00 1.00 O +ATOM 619 H GLY A 43 6.738 -0.823 -12.905 1.00 1.00 H +ATOM 620 HA2 GLY A 43 6.288 0.603 -10.885 1.00 1.00 H +ATOM 621 HA3 GLY A 43 7.868 1.304 -11.187 1.00 1.00 H +ATOM 622 N GLN A 44 5.450 1.279 -13.451 1.00 1.00 N +ATOM 623 CA GLN A 44 4.772 2.085 -14.454 1.00 1.00 C +ATOM 624 C GLN A 44 3.267 2.117 -14.179 1.00 1.00 C +ATOM 625 O GLN A 44 2.682 1.106 -13.794 1.00 1.00 O +ATOM 626 CB GLN A 44 5.063 1.566 -15.863 1.00 1.00 C +ATOM 627 CG GLN A 44 5.544 0.113 -15.824 1.00 1.00 C +ATOM 628 CD GLN A 44 6.093 -0.320 -17.185 1.00 1.00 C +ATOM 629 OE1 GLN A 44 7.272 -0.584 -17.352 1.00 1.00 O +ATOM 630 NE2 GLN A 44 5.174 -0.376 -18.145 1.00 1.00 N +ATOM 631 H GLN A 44 5.152 0.327 -13.403 1.00 1.00 H +ATOM 632 HA GLN A 44 5.189 3.086 -14.349 1.00 1.00 H +ATOM 633 HB2 GLN A 44 4.163 1.638 -16.473 1.00 1.00 H +ATOM 634 HB3 GLN A 44 5.821 2.191 -16.336 1.00 1.00 H +ATOM 635 HG2 GLN A 44 6.318 0.003 -15.063 1.00 1.00 H +ATOM 636 HG3 GLN A 44 4.719 -0.539 -15.536 1.00 1.00 H +ATOM 637 HE21 GLN A 44 4.223 -0.145 -17.941 1.00 1.00 H +ATOM 638 HE22 GLN A 44 5.435 -0.648 -19.071 1.00 1.00 H +ATOM 639 N ARG A 45 2.684 3.288 -14.391 1.00 1.00 N +ATOM 640 CA ARG A 45 1.259 3.464 -14.173 1.00 1.00 C +ATOM 641 C ARG A 45 0.577 3.930 -15.462 1.00 1.00 C +ATOM 642 O ARG A 45 1.247 4.208 -16.455 1.00 1.00 O +ATOM 643 CB ARG A 45 0.994 4.486 -13.065 1.00 1.00 C +ATOM 644 CG ARG A 45 1.585 4.019 -11.734 1.00 1.00 C +ATOM 645 CD ARG A 45 3.095 4.266 -11.689 1.00 1.00 C +ATOM 646 NE ARG A 45 3.484 4.775 -10.354 1.00 1.00 N +ATOM 647 CZ ARG A 45 3.654 3.999 -9.275 1.00 1.00 C +ATOM 648 NH1 ARG A 45 3.472 2.675 -9.365 1.00 1.00 N +ATOM 649 NH2 ARG A 45 4.009 4.548 -8.104 1.00 1.00 N +ATOM 650 H ARG A 45 3.168 4.105 -14.705 1.00 1.00 H +ATOM 651 HA ARG A 45 0.899 2.480 -13.872 1.00 1.00 H +ATOM 652 HB2 ARG A 45 1.426 5.448 -13.342 1.00 1.00 H +ATOM 653 HB3 ARG A 45 -0.079 4.641 -12.957 1.00 1.00 H +ATOM 654 HG2 ARG A 45 1.102 4.547 -10.912 1.00 1.00 H +ATOM 655 HG3 ARG A 45 1.382 2.957 -11.595 1.00 1.00 H +ATOM 656 HD2 ARG A 45 3.630 3.341 -11.904 1.00 1.00 H +ATOM 657 HD3 ARG A 45 3.378 4.985 -12.457 1.00 1.00 H +ATOM 658 HE ARG A 45 3.629 5.759 -10.252 1.00 1.00 H +ATOM 659 HH11 ARG A 45 3.208 2.266 -10.239 1.00 1.00 H +ATOM 660 HH12 ARG A 45 3.598 2.096 -8.561 1.00 1.00 H +ATOM 661 HH21 ARG A 45 4.145 5.536 -8.037 1.00 1.00 H +ATOM 662 HH22 ARG A 45 4.136 3.968 -7.300 1.00 1.00 H +ATOM 663 N SER A 46 -0.744 4.000 -15.402 1.00 1.00 N +ATOM 664 CA SER A 46 -1.523 4.427 -16.551 1.00 1.00 C +ATOM 665 C SER A 46 -2.496 5.534 -16.142 1.00 1.00 C +ATOM 666 O SER A 46 -2.691 5.786 -14.955 1.00 1.00 O +ATOM 667 CB SER A 46 -2.285 3.252 -17.169 1.00 1.00 C +ATOM 668 OG SER A 46 -2.265 2.103 -16.326 1.00 1.00 O +ATOM 669 H SER A 46 -1.280 3.772 -14.589 1.00 1.00 H +ATOM 670 HA SER A 46 -0.795 4.804 -17.270 1.00 1.00 H +ATOM 671 HB2 SER A 46 -3.317 3.547 -17.355 1.00 1.00 H +ATOM 672 HB3 SER A 46 -1.844 3.002 -18.134 1.00 1.00 H +ATOM 673 HG SER A 46 -1.338 1.945 -15.986 1.00 1.00 H +ATOM 674 N ILE A 47 -3.082 6.165 -17.150 1.00 1.00 N +ATOM 675 CA ILE A 47 -4.031 7.239 -16.909 1.00 1.00 C +ATOM 676 C ILE A 47 -5.230 7.074 -17.845 1.00 1.00 C +ATOM 677 O ILE A 47 -5.084 7.133 -19.065 1.00 1.00 O +ATOM 678 CB ILE A 47 -3.342 8.600 -17.028 1.00 1.00 C +ATOM 679 CG1 ILE A 47 -3.342 9.334 -15.686 1.00 1.00 C +ATOM 680 CG2 ILE A 47 -3.973 9.439 -18.142 1.00 1.00 C +ATOM 681 CD1 ILE A 47 -1.945 9.345 -15.065 1.00 1.00 C +ATOM 682 H ILE A 47 -2.918 5.954 -18.113 1.00 1.00 H +ATOM 683 HA ILE A 47 -4.379 7.144 -15.881 1.00 1.00 H +ATOM 684 HB ILE A 47 -2.300 8.431 -17.302 1.00 1.00 H +ATOM 685 HG12 ILE A 47 -3.688 10.359 -15.830 1.00 1.00 H +ATOM 686 HG13 ILE A 47 -4.043 8.853 -15.005 1.00 1.00 H +ATOM 687 HG21 ILE A 47 -5.035 9.570 -17.940 1.00 1.00 H +ATOM 688 HG22 ILE A 47 -3.486 10.414 -18.183 1.00 1.00 H +ATOM 689 HG23 ILE A 47 -3.844 8.930 -19.097 1.00 1.00 H +ATOM 690 HD11 ILE A 47 -1.356 8.528 -15.482 1.00 1.00 H +ATOM 691 HD12 ILE A 47 -1.455 10.294 -15.286 1.00 1.00 H +ATOM 692 HD13 ILE A 47 -2.025 9.220 -13.986 1.00 1.00 H +ATOM 693 N SER A 48 -6.390 6.869 -17.238 1.00 1.00 N +ATOM 694 CA SER A 48 -7.614 6.694 -18.001 1.00 1.00 C +ATOM 695 C SER A 48 -8.542 7.890 -17.784 1.00 1.00 C +ATOM 696 O SER A 48 -9.159 8.019 -16.728 1.00 1.00 O +ATOM 697 CB SER A 48 -8.323 5.394 -17.615 1.00 1.00 C +ATOM 698 OG SER A 48 -8.229 5.130 -16.217 1.00 1.00 O +ATOM 699 H SER A 48 -6.501 6.822 -16.245 1.00 1.00 H +ATOM 700 HA SER A 48 -7.298 6.639 -19.043 1.00 1.00 H +ATOM 701 HB2 SER A 48 -9.374 5.456 -17.902 1.00 1.00 H +ATOM 702 HB3 SER A 48 -7.889 4.564 -18.171 1.00 1.00 H +ATOM 703 HG SER A 48 -9.097 4.765 -15.879 1.00 1.00 H +ATOM 704 N LEU A 49 -8.611 8.738 -18.800 1.00 1.00 N +ATOM 705 CA LEU A 49 -9.453 9.920 -18.733 1.00 1.00 C +ATOM 706 C LEU A 49 -10.843 9.582 -19.275 1.00 1.00 C +ATOM 707 O LEU A 49 -11.040 8.525 -19.875 1.00 1.00 O +ATOM 708 CB LEU A 49 -8.783 11.095 -19.446 1.00 1.00 C +ATOM 709 CG LEU A 49 -9.635 12.359 -19.604 1.00 1.00 C +ATOM 710 CD1 LEU A 49 -9.846 13.048 -18.254 1.00 1.00 C +ATOM 711 CD2 LEU A 49 -9.027 13.304 -20.642 1.00 1.00 C +ATOM 712 H LEU A 49 -8.105 8.627 -19.657 1.00 1.00 H +ATOM 713 HA LEU A 49 -9.549 10.193 -17.683 1.00 1.00 H +ATOM 714 HB2 LEU A 49 -7.877 11.358 -18.901 1.00 1.00 H +ATOM 715 HB3 LEU A 49 -8.474 10.765 -20.438 1.00 1.00 H +ATOM 716 HG LEU A 49 -10.617 12.063 -19.972 1.00 1.00 H +ATOM 717 HD11 LEU A 49 -10.310 12.349 -17.558 1.00 1.00 H +ATOM 718 HD12 LEU A 49 -8.884 13.372 -17.857 1.00 1.00 H +ATOM 719 HD13 LEU A 49 -10.494 13.914 -18.387 1.00 1.00 H +ATOM 720 HD21 LEU A 49 -7.951 13.137 -20.699 1.00 1.00 H +ATOM 721 HD22 LEU A 49 -9.476 13.110 -21.615 1.00 1.00 H +ATOM 722 HD23 LEU A 49 -9.221 14.335 -20.350 1.00 1.00 H +ATOM 723 N ARG A 50 -11.771 10.500 -19.047 1.00 1.00 N +ATOM 724 CA ARG A 50 -13.138 10.311 -19.506 1.00 1.00 C +ATOM 725 C ARG A 50 -13.736 11.648 -19.951 1.00 1.00 C +ATOM 726 O ARG A 50 -13.533 12.671 -19.301 1.00 1.00 O +ATOM 727 CB ARG A 50 -14.011 9.712 -18.402 1.00 1.00 C +ATOM 728 CG ARG A 50 -15.490 10.018 -18.648 1.00 1.00 C +ATOM 729 CD ARG A 50 -15.978 9.366 -19.943 1.00 1.00 C +ATOM 730 NE ARG A 50 -17.211 8.588 -19.685 1.00 1.00 N +ATOM 731 CZ ARG A 50 -18.368 9.125 -19.280 1.00 1.00 C +ATOM 732 NH1 ARG A 50 -18.459 10.448 -19.082 1.00 1.00 N +ATOM 733 NH2 ARG A 50 -19.434 8.342 -19.070 1.00 1.00 N +ATOM 734 H ARG A 50 -11.603 11.356 -18.560 1.00 1.00 H +ATOM 735 HA ARG A 50 -13.058 9.618 -20.343 1.00 1.00 H +ATOM 736 HB2 ARG A 50 -13.861 8.634 -18.361 1.00 1.00 H +ATOM 737 HB3 ARG A 50 -13.708 10.113 -17.435 1.00 1.00 H +ATOM 738 HG2 ARG A 50 -16.085 9.656 -17.808 1.00 1.00 H +ATOM 739 HG3 ARG A 50 -15.638 11.096 -18.701 1.00 1.00 H +ATOM 740 HD2 ARG A 50 -16.173 10.131 -20.694 1.00 1.00 H +ATOM 741 HD3 ARG A 50 -15.203 8.714 -20.346 1.00 1.00 H +ATOM 742 HE ARG A 50 -17.176 7.598 -19.824 1.00 1.00 H +ATOM 743 HH11 ARG A 50 -17.663 11.034 -19.237 1.00 1.00 H +ATOM 744 HH12 ARG A 50 -19.324 10.850 -18.779 1.00 1.00 H +ATOM 745 HH21 ARG A 50 -19.366 7.355 -19.218 1.00 1.00 H +ATOM 746 HH22 ARG A 50 -20.299 8.744 -18.767 1.00 1.00 H +ATOM 747 N TYR A 51 -14.462 11.594 -21.059 1.00 1.00 N +ATOM 748 CA TYR A 51 -15.091 12.786 -21.600 1.00 1.00 C +ATOM 749 C TYR A 51 -16.616 12.676 -21.543 1.00 1.00 C +ATOM 750 O TYR A 51 -17.158 11.920 -20.738 1.00 1.00 O +ATOM 751 CB TYR A 51 -14.652 12.869 -23.062 1.00 1.00 C +ATOM 752 CG TYR A 51 -13.872 14.139 -23.407 1.00 1.00 C +ATOM 753 CD1 TYR A 51 -13.055 14.725 -22.463 1.00 1.00 C +ATOM 754 CD2 TYR A 51 -13.986 14.698 -24.665 1.00 1.00 C +ATOM 755 CE1 TYR A 51 -12.320 15.920 -22.788 1.00 1.00 C +ATOM 756 CE2 TYR A 51 -13.252 15.894 -24.990 1.00 1.00 C +ATOM 757 CZ TYR A 51 -12.456 16.446 -24.035 1.00 1.00 C +ATOM 758 OH TYR A 51 -11.762 17.575 -24.342 1.00 1.00 O +ATOM 759 H TYR A 51 -14.622 10.756 -21.582 1.00 1.00 H +ATOM 760 HA TYR A 51 -14.773 13.637 -20.997 1.00 1.00 H +ATOM 761 HB2 TYR A 51 -14.034 12.002 -23.296 1.00 1.00 H +ATOM 762 HB3 TYR A 51 -15.534 12.812 -23.699 1.00 1.00 H +ATOM 763 HD1 TYR A 51 -12.966 14.283 -21.471 1.00 1.00 H +ATOM 764 HD2 TYR A 51 -14.632 14.236 -25.411 1.00 1.00 H +ATOM 765 HE1 TYR A 51 -11.671 16.393 -22.051 1.00 1.00 H +ATOM 766 HE2 TYR A 51 -13.333 16.346 -25.979 1.00 1.00 H +ATOM 767 HH TYR A 51 -12.009 18.310 -23.712 1.00 1.00 H +ATOM 768 N GLU A 52 -17.266 13.442 -22.407 1.00 1.00 N +ATOM 769 CA GLU A 52 -18.717 13.438 -22.465 1.00 1.00 C +ATOM 770 C GLU A 52 -19.201 12.582 -23.637 1.00 1.00 C +ATOM 771 O GLU A 52 -20.085 12.990 -24.388 1.00 1.00 O +ATOM 772 CB GLU A 52 -19.265 14.864 -22.567 1.00 1.00 C +ATOM 773 CG GLU A 52 -19.115 15.409 -23.989 1.00 1.00 C +ATOM 774 CD GLU A 52 -18.847 16.915 -23.973 1.00 1.00 C +ATOM 775 OE1 GLU A 52 -17.746 17.291 -23.514 1.00 1.00 O +ATOM 776 OE2 GLU A 52 -19.747 17.656 -24.422 1.00 1.00 O +ATOM 777 H GLU A 52 -16.818 14.054 -23.058 1.00 1.00 H +ATOM 778 HA GLU A 52 -19.044 12.997 -21.524 1.00 1.00 H +ATOM 779 HB2 GLU A 52 -20.316 14.875 -22.279 1.00 1.00 H +ATOM 780 HB3 GLU A 52 -18.736 15.512 -21.867 1.00 1.00 H +ATOM 781 HG2 GLU A 52 -18.295 14.895 -24.494 1.00 1.00 H +ATOM 782 HG3 GLU A 52 -20.020 15.203 -24.559 1.00 1.00 H +ATOM 783 N GLY A 53 -18.599 11.407 -23.757 1.00 1.00 N +ATOM 784 CA GLY A 53 -18.956 10.488 -24.824 1.00 1.00 C +ATOM 785 C GLY A 53 -18.356 9.102 -24.578 1.00 1.00 C +ATOM 786 O GLY A 53 -19.074 8.103 -24.577 1.00 1.00 O +ATOM 787 H GLY A 53 -17.881 11.082 -23.142 1.00 1.00 H +ATOM 788 HA2 GLY A 53 -20.041 10.412 -24.894 1.00 1.00 H +ATOM 789 HA3 GLY A 53 -18.601 10.878 -25.777 1.00 1.00 H +ATOM 790 N ARG A 54 -17.047 9.086 -24.376 1.00 1.00 N +ATOM 791 CA ARG A 54 -16.342 7.839 -24.129 1.00 1.00 C +ATOM 792 C ARG A 54 -15.211 8.059 -23.124 1.00 1.00 C +ATOM 793 O ARG A 54 -15.057 9.155 -22.586 1.00 1.00 O +ATOM 794 CB ARG A 54 -15.762 7.269 -25.426 1.00 1.00 C +ATOM 795 CG ARG A 54 -16.857 6.628 -26.281 1.00 1.00 C +ATOM 796 CD ARG A 54 -16.313 6.225 -27.653 1.00 1.00 C +ATOM 797 NE ARG A 54 -17.432 5.871 -28.556 1.00 1.00 N +ATOM 798 CZ ARG A 54 -18.166 4.756 -28.438 1.00 1.00 C +ATOM 799 NH1 ARG A 54 -17.905 3.880 -27.458 1.00 1.00 N +ATOM 800 NH2 ARG A 54 -19.162 4.516 -29.303 1.00 1.00 N +ATOM 801 H ARG A 54 -16.471 9.904 -24.379 1.00 1.00 H +ATOM 802 HA ARG A 54 -17.099 7.166 -23.726 1.00 1.00 H +ATOM 803 HB2 ARG A 54 -15.274 8.064 -25.989 1.00 1.00 H +ATOM 804 HB3 ARG A 54 -14.998 6.529 -25.190 1.00 1.00 H +ATOM 805 HG2 ARG A 54 -17.254 5.751 -25.771 1.00 1.00 H +ATOM 806 HG3 ARG A 54 -17.683 7.327 -26.404 1.00 1.00 H +ATOM 807 HD2 ARG A 54 -15.737 7.046 -28.081 1.00 1.00 H +ATOM 808 HD3 ARG A 54 -15.635 5.378 -27.552 1.00 1.00 H +ATOM 809 HE ARG A 54 -17.653 6.503 -29.298 1.00 1.00 H +ATOM 810 HH11 ARG A 54 -17.162 4.059 -26.813 1.00 1.00 H +ATOM 811 HH12 ARG A 54 -18.453 3.049 -27.372 1.00 1.00 H +ATOM 812 HH21 ARG A 54 -19.357 5.169 -30.035 1.00 1.00 H +ATOM 813 HH22 ARG A 54 -19.710 3.685 -29.216 1.00 1.00 H +ATOM 814 N VAL A 55 -14.445 7.001 -22.902 1.00 1.00 N +ATOM 815 CA VAL A 55 -13.330 7.065 -21.972 1.00 1.00 C +ATOM 816 C VAL A 55 -12.018 7.128 -22.756 1.00 1.00 C +ATOM 817 O VAL A 55 -12.008 6.924 -23.970 1.00 1.00 O +ATOM 818 CB VAL A 55 -13.392 5.882 -21.003 1.00 1.00 C +ATOM 819 CG1 VAL A 55 -12.871 4.604 -21.662 1.00 1.00 C +ATOM 820 CG2 VAL A 55 -12.620 6.188 -19.717 1.00 1.00 C +ATOM 821 H VAL A 55 -14.576 6.114 -23.346 1.00 1.00 H +ATOM 822 HA VAL A 55 -13.438 7.982 -21.393 1.00 1.00 H +ATOM 823 HB VAL A 55 -14.435 5.720 -20.735 1.00 1.00 H +ATOM 824 HG11 VAL A 55 -12.447 4.845 -22.638 1.00 1.00 H +ATOM 825 HG12 VAL A 55 -12.101 4.157 -21.034 1.00 1.00 H +ATOM 826 HG13 VAL A 55 -13.693 3.898 -21.787 1.00 1.00 H +ATOM 827 HG21 VAL A 55 -12.748 7.239 -19.457 1.00 1.00 H +ATOM 828 HG22 VAL A 55 -13.001 5.564 -18.906 1.00 1.00 H +ATOM 829 HG23 VAL A 55 -11.561 5.979 -19.869 1.00 1.00 H +ATOM 830 N TYR A 56 -10.946 7.410 -22.034 1.00 1.00 N +ATOM 831 CA TYR A 56 -9.631 7.502 -22.646 1.00 1.00 C +ATOM 832 C TYR A 56 -8.601 6.694 -21.856 1.00 1.00 C +ATOM 833 O TYR A 56 -8.690 6.591 -20.634 1.00 1.00 O +ATOM 834 CB TYR A 56 -9.247 8.982 -22.599 1.00 1.00 C +ATOM 835 CG TYR A 56 -10.125 9.882 -23.470 1.00 1.00 C +ATOM 836 CD1 TYR A 56 -10.305 9.585 -24.806 1.00 1.00 C +ATOM 837 CD2 TYR A 56 -10.737 10.991 -22.920 1.00 1.00 C +ATOM 838 CE1 TYR A 56 -11.131 10.432 -25.627 1.00 1.00 C +ATOM 839 CE2 TYR A 56 -11.564 11.838 -23.743 1.00 1.00 C +ATOM 840 CZ TYR A 56 -11.720 11.517 -25.054 1.00 1.00 C +ATOM 841 OH TYR A 56 -12.500 12.316 -25.830 1.00 1.00 O +ATOM 842 H TYR A 56 -10.964 7.574 -21.047 1.00 1.00 H +ATOM 843 HA TYR A 56 -9.703 7.099 -23.656 1.00 1.00 H +ATOM 844 HB2 TYR A 56 -9.303 9.328 -21.565 1.00 1.00 H +ATOM 845 HB3 TYR A 56 -8.209 9.087 -22.914 1.00 1.00 H +ATOM 846 HD1 TYR A 56 -9.822 8.710 -25.239 1.00 1.00 H +ATOM 847 HD2 TYR A 56 -10.595 11.225 -21.866 1.00 1.00 H +ATOM 848 HE1 TYR A 56 -11.282 10.208 -26.682 1.00 1.00 H +ATOM 849 HE2 TYR A 56 -12.052 12.716 -23.321 1.00 1.00 H +ATOM 850 HH TYR A 56 -12.352 13.276 -25.589 1.00 1.00 H +ATOM 851 N HIS A 57 -7.645 6.138 -22.589 1.00 1.00 N +ATOM 852 CA HIS A 57 -6.597 5.343 -21.973 1.00 1.00 C +ATOM 853 C HIS A 57 -5.230 5.841 -22.442 1.00 1.00 C +ATOM 854 O HIS A 57 -4.798 5.527 -23.551 1.00 1.00 O +ATOM 855 CB HIS A 57 -6.813 3.853 -22.249 1.00 1.00 C +ATOM 856 CG HIS A 57 -8.231 3.384 -22.019 1.00 1.00 C +ATOM 857 ND1 HIS A 57 -8.758 3.188 -20.755 1.00 1.00 N +ATOM 858 CD2 HIS A 57 -9.222 3.076 -22.904 1.00 1.00 C +ATOM 859 CE1 HIS A 57 -10.011 2.780 -20.885 1.00 1.00 C +ATOM 860 NE2 HIS A 57 -10.298 2.711 -22.218 1.00 1.00 N +ATOM 861 H HIS A 57 -7.580 6.227 -23.583 1.00 1.00 H +ATOM 862 HA HIS A 57 -6.681 5.496 -20.896 1.00 1.00 H +ATOM 863 HB2 HIS A 57 -6.535 3.643 -23.282 1.00 1.00 H +ATOM 864 HB3 HIS A 57 -6.143 3.275 -21.615 1.00 1.00 H +ATOM 865 HD1 HIS A 57 -8.276 3.331 -19.891 1.00 1.00 H +ATOM 866 HD2 HIS A 57 -9.144 3.123 -23.990 1.00 1.00 H +ATOM 867 HE1 HIS A 57 -10.696 2.541 -20.070 1.00 1.00 H +ATOM 868 N TYR A 58 -4.587 6.610 -21.577 1.00 1.00 N +ATOM 869 CA TYR A 58 -3.277 7.156 -21.890 1.00 1.00 C +ATOM 870 C TYR A 58 -2.278 6.863 -20.766 1.00 1.00 C +ATOM 871 O TYR A 58 -2.305 7.514 -19.724 1.00 1.00 O +ATOM 872 CB TYR A 58 -3.466 8.669 -22.006 1.00 1.00 C +ATOM 873 CG TYR A 58 -2.977 9.259 -23.330 1.00 1.00 C +ATOM 874 CD1 TYR A 58 -1.625 9.437 -23.547 1.00 1.00 C +ATOM 875 CD2 TYR A 58 -3.885 9.610 -24.307 1.00 1.00 C +ATOM 876 CE1 TYR A 58 -1.163 9.992 -24.794 1.00 1.00 C +ATOM 877 CE2 TYR A 58 -3.423 10.165 -25.554 1.00 1.00 C +ATOM 878 CZ TYR A 58 -2.085 10.328 -25.734 1.00 1.00 C +ATOM 879 OH TYR A 58 -1.649 10.851 -26.912 1.00 1.00 O +ATOM 880 H TYR A 58 -4.945 6.861 -20.678 1.00 1.00 H +ATOM 881 HA TYR A 58 -2.926 6.685 -22.809 1.00 1.00 H +ATOM 882 HB2 TYR A 58 -4.524 8.903 -21.885 1.00 1.00 H +ATOM 883 HB3 TYR A 58 -2.938 9.156 -21.186 1.00 1.00 H +ATOM 884 HD1 TYR A 58 -0.906 9.159 -22.776 1.00 1.00 H +ATOM 885 HD2 TYR A 58 -4.952 9.469 -24.135 1.00 1.00 H +ATOM 886 HE1 TYR A 58 -0.099 10.138 -24.978 1.00 1.00 H +ATOM 887 HE2 TYR A 58 -4.130 10.447 -26.334 1.00 1.00 H +ATOM 888 HH TYR A 58 -1.365 11.801 -26.779 1.00 1.00 H +ATOM 889 N ARG A 59 -1.422 5.885 -21.020 1.00 1.00 N +ATOM 890 CA ARG A 59 -0.418 5.500 -20.044 1.00 1.00 C +ATOM 891 C ARG A 59 0.620 6.614 -19.879 1.00 1.00 C +ATOM 892 O ARG A 59 0.883 7.364 -20.818 1.00 1.00 O +ATOM 893 CB ARG A 59 0.293 4.211 -20.464 1.00 1.00 C +ATOM 894 CG ARG A 59 0.925 4.359 -21.849 1.00 1.00 C +ATOM 895 CD ARG A 59 0.730 3.088 -22.680 1.00 1.00 C +ATOM 896 NE ARG A 59 0.760 3.419 -24.122 1.00 1.00 N +ATOM 897 CZ ARG A 59 1.221 2.594 -25.072 1.00 1.00 C +ATOM 898 NH1 ARG A 59 1.696 1.386 -24.738 1.00 1.00 N +ATOM 899 NH2 ARG A 59 1.209 2.978 -26.356 1.00 1.00 N +ATOM 900 H ARG A 59 -1.406 5.362 -21.872 1.00 1.00 H +ATOM 901 HA ARG A 59 -0.973 5.342 -19.120 1.00 1.00 H +ATOM 902 HB2 ARG A 59 1.062 3.960 -19.733 1.00 1.00 H +ATOM 903 HB3 ARG A 59 -0.419 3.385 -20.471 1.00 1.00 H +ATOM 904 HG2 ARG A 59 0.479 5.209 -22.367 1.00 1.00 H +ATOM 905 HG3 ARG A 59 1.989 4.570 -21.745 1.00 1.00 H +ATOM 906 HD2 ARG A 59 1.514 2.368 -22.447 1.00 1.00 H +ATOM 907 HD3 ARG A 59 -0.221 2.620 -22.425 1.00 1.00 H +ATOM 908 HE ARG A 59 0.413 4.313 -24.405 1.00 1.00 H +ATOM 909 HH11 ARG A 59 1.704 1.101 -23.780 1.00 1.00 H +ATOM 910 HH12 ARG A 59 2.041 0.771 -25.447 1.00 1.00 H +ATOM 911 HH21 ARG A 59 0.855 3.879 -26.605 1.00 1.00 H +ATOM 912 HH22 ARG A 59 1.554 2.362 -27.065 1.00 1.00 H +ATOM 913 N ILE A 60 1.178 6.686 -18.680 1.00 1.00 N +ATOM 914 CA ILE A 60 2.180 7.695 -18.381 1.00 1.00 C +ATOM 915 C ILE A 60 3.513 7.287 -19.012 1.00 1.00 C +ATOM 916 O ILE A 60 4.276 8.139 -19.465 1.00 1.00 O +ATOM 917 CB ILE A 60 2.262 7.937 -16.873 1.00 1.00 C +ATOM 918 CG1 ILE A 60 0.871 7.901 -16.235 1.00 1.00 C +ATOM 919 CG2 ILE A 60 2.998 9.244 -16.567 1.00 1.00 C +ATOM 920 CD1 ILE A 60 0.762 6.760 -15.222 1.00 1.00 C +ATOM 921 H ILE A 60 0.958 6.071 -17.923 1.00 1.00 H +ATOM 922 HA ILE A 60 1.852 8.626 -18.841 1.00 1.00 H +ATOM 923 HB ILE A 60 2.842 7.130 -16.429 1.00 1.00 H +ATOM 924 HG12 ILE A 60 0.668 8.852 -15.742 1.00 1.00 H +ATOM 925 HG13 ILE A 60 0.114 7.776 -17.011 1.00 1.00 H +ATOM 926 HG21 ILE A 60 3.616 9.520 -17.421 1.00 1.00 H +ATOM 927 HG22 ILE A 60 2.271 10.034 -16.374 1.00 1.00 H +ATOM 928 HG23 ILE A 60 3.629 9.108 -15.689 1.00 1.00 H +ATOM 929 HD11 ILE A 60 1.592 6.067 -15.365 1.00 1.00 H +ATOM 930 HD12 ILE A 60 0.799 7.167 -14.212 1.00 1.00 H +ATOM 931 HD13 ILE A 60 -0.181 6.233 -15.368 1.00 1.00 H +ATOM 932 N ASN A 61 3.754 5.984 -19.019 1.00 1.00 N +ATOM 933 CA ASN A 61 4.982 5.452 -19.587 1.00 1.00 C +ATOM 934 C ASN A 61 6.175 5.969 -18.780 1.00 1.00 C +ATOM 935 O ASN A 61 6.105 7.038 -18.176 1.00 1.00 O +ATOM 936 CB ASN A 61 5.159 5.906 -21.037 1.00 1.00 C +ATOM 937 CG ASN A 61 6.641 6.069 -21.383 1.00 1.00 C +ATOM 938 OD1 ASN A 61 7.337 5.122 -21.707 1.00 1.00 O +ATOM 939 ND2 ASN A 61 7.081 7.320 -21.296 1.00 1.00 N +ATOM 940 H ASN A 61 3.127 5.298 -18.649 1.00 1.00 H +ATOM 941 HA ASN A 61 4.877 4.369 -19.531 1.00 1.00 H +ATOM 942 HB2 ASN A 61 4.704 5.177 -21.707 1.00 1.00 H +ATOM 943 HB3 ASN A 61 4.640 6.851 -21.192 1.00 1.00 H +ATOM 944 HD21 ASN A 61 6.457 8.053 -21.024 1.00 1.00 H +ATOM 945 HD22 ASN A 61 8.038 7.530 -21.502 1.00 1.00 H +ATOM 946 N THR A 62 7.244 5.185 -18.799 1.00 1.00 N +ATOM 947 CA THR A 62 8.451 5.550 -18.078 1.00 1.00 C +ATOM 948 C THR A 62 9.583 5.869 -19.057 1.00 1.00 C +ATOM 949 O THR A 62 9.497 5.538 -20.239 1.00 1.00 O +ATOM 950 CB THR A 62 8.786 4.412 -17.111 1.00 1.00 C +ATOM 951 OG1 THR A 62 7.819 4.543 -16.072 1.00 1.00 O +ATOM 952 CG2 THR A 62 10.125 4.622 -16.401 1.00 1.00 C +ATOM 953 H THR A 62 7.294 4.319 -19.294 1.00 1.00 H +ATOM 954 HA THR A 62 8.252 6.461 -17.513 1.00 1.00 H +ATOM 955 HB THR A 62 8.762 3.449 -17.621 1.00 1.00 H +ATOM 956 HG1 THR A 62 8.030 5.340 -15.507 1.00 1.00 H +ATOM 957 HG21 THR A 62 10.918 4.717 -17.143 1.00 1.00 H +ATOM 958 HG22 THR A 62 10.080 5.530 -15.800 1.00 1.00 H +ATOM 959 HG23 THR A 62 10.332 3.769 -15.756 1.00 1.00 H +ATOM 960 N ALA A 63 10.616 6.507 -18.529 1.00 1.00 N +ATOM 961 CA ALA A 63 11.764 6.873 -19.342 1.00 1.00 C +ATOM 962 C ALA A 63 12.755 5.708 -19.375 1.00 1.00 C +ATOM 963 O ALA A 63 13.965 5.914 -19.288 1.00 1.00 O +ATOM 964 CB ALA A 63 12.390 8.156 -18.794 1.00 1.00 C +ATOM 965 H ALA A 63 10.679 6.771 -17.567 1.00 1.00 H +ATOM 966 HA ALA A 63 11.407 7.062 -20.355 1.00 1.00 H +ATOM 967 HB1 ALA A 63 11.879 8.446 -17.876 1.00 1.00 H +ATOM 968 HB2 ALA A 63 13.446 7.984 -18.582 1.00 1.00 H +ATOM 969 HB3 ALA A 63 12.293 8.953 -19.532 1.00 1.00 H +ATOM 970 N SER A 64 12.205 4.508 -19.497 1.00 1.00 N +ATOM 971 CA SER A 64 13.025 3.310 -19.540 1.00 1.00 C +ATOM 972 C SER A 64 14.118 3.385 -18.472 1.00 1.00 C +ATOM 973 O SER A 64 15.225 2.888 -18.675 1.00 1.00 O +ATOM 974 CB SER A 64 13.649 3.119 -20.924 1.00 1.00 C +ATOM 975 OG SER A 64 14.523 1.995 -20.965 1.00 1.00 O +ATOM 976 H SER A 64 11.220 4.348 -19.566 1.00 1.00 H +ATOM 977 HA SER A 64 12.343 2.485 -19.333 1.00 1.00 H +ATOM 978 HB2 SER A 64 12.858 2.990 -21.663 1.00 1.00 H +ATOM 979 HB3 SER A 64 14.200 4.017 -21.200 1.00 1.00 H +ATOM 980 HG SER A 64 14.768 1.786 -21.912 1.00 1.00 H +ATOM 981 N ASP A 65 13.769 4.009 -17.357 1.00 1.00 N +ATOM 982 CA ASP A 65 14.707 4.156 -16.256 1.00 1.00 C +ATOM 983 C ASP A 65 13.936 4.172 -14.934 1.00 1.00 C +ATOM 984 O ASP A 65 14.213 3.373 -14.041 1.00 1.00 O +ATOM 985 CB ASP A 65 15.484 5.468 -16.366 1.00 1.00 C +ATOM 986 CG ASP A 65 14.689 6.647 -16.931 1.00 1.00 C +ATOM 987 OD1 ASP A 65 13.447 6.609 -16.796 1.00 1.00 O +ATOM 988 OD2 ASP A 65 15.340 7.557 -17.486 1.00 1.00 O +ATOM 989 H ASP A 65 12.867 4.410 -17.199 1.00 1.00 H +ATOM 990 HA ASP A 65 15.378 3.302 -16.337 1.00 1.00 H +ATOM 991 HB2 ASP A 65 15.852 5.739 -15.376 1.00 1.00 H +ATOM 992 HB3 ASP A 65 16.359 5.304 -16.997 1.00 1.00 H +ATOM 993 N GLY A 66 12.985 5.090 -14.853 1.00 1.00 N +ATOM 994 CA GLY A 66 12.173 5.221 -13.655 1.00 1.00 C +ATOM 995 C GLY A 66 11.171 6.368 -13.794 1.00 1.00 C +ATOM 996 O GLY A 66 9.963 6.158 -13.699 1.00 1.00 O +ATOM 997 H GLY A 66 12.766 5.736 -15.583 1.00 1.00 H +ATOM 998 HA2 GLY A 66 11.639 4.288 -13.469 1.00 1.00 H +ATOM 999 HA3 GLY A 66 12.816 5.398 -12.793 1.00 1.00 H +ATOM 1000 N LYS A 67 11.709 7.557 -14.019 1.00 1.00 N +ATOM 1001 CA LYS A 67 10.877 8.739 -14.173 1.00 1.00 C +ATOM 1002 C LYS A 67 9.693 8.409 -15.083 1.00 1.00 C +ATOM 1003 O LYS A 67 9.847 7.694 -16.073 1.00 1.00 O +ATOM 1004 CB LYS A 67 11.714 9.924 -14.659 1.00 1.00 C +ATOM 1005 CG LYS A 67 12.870 9.453 -15.545 1.00 1.00 C +ATOM 1006 CD LYS A 67 14.179 9.399 -14.755 1.00 1.00 C +ATOM 1007 CE LYS A 67 15.207 10.375 -15.333 1.00 1.00 C +ATOM 1008 NZ LYS A 67 15.740 9.867 -16.617 1.00 1.00 N +ATOM 1009 H LYS A 67 12.693 7.721 -14.096 1.00 1.00 H +ATOM 1010 HA LYS A 67 10.493 8.998 -13.186 1.00 1.00 H +ATOM 1011 HB2 LYS A 67 11.083 10.616 -15.216 1.00 1.00 H +ATOM 1012 HB3 LYS A 67 12.108 10.472 -13.802 1.00 1.00 H +ATOM 1013 HG2 LYS A 67 12.643 8.466 -15.948 1.00 1.00 H +ATOM 1014 HG3 LYS A 67 12.979 10.128 -16.394 1.00 1.00 H +ATOM 1015 HD2 LYS A 67 13.988 9.643 -13.710 1.00 1.00 H +ATOM 1016 HD3 LYS A 67 14.581 8.387 -14.779 1.00 1.00 H +ATOM 1017 HE2 LYS A 67 14.745 11.351 -15.484 1.00 1.00 H +ATOM 1018 HE3 LYS A 67 16.022 10.515 -14.623 1.00 1.00 H +ATOM 1019 HZ1 LYS A 67 15.569 8.884 -16.683 1.00 1.00 H +ATOM 1020 HZ2 LYS A 67 15.287 10.337 -17.375 1.00 1.00 H +ATOM 1021 HZ3 LYS A 67 16.724 10.037 -16.659 1.00 1.00 H +ATOM 1022 N LEU A 68 8.538 8.944 -14.716 1.00 1.00 N +ATOM 1023 CA LEU A 68 7.328 8.715 -15.488 1.00 1.00 C +ATOM 1024 C LEU A 68 7.015 9.961 -16.319 1.00 1.00 C +ATOM 1025 O LEU A 68 6.640 10.998 -15.774 1.00 1.00 O +ATOM 1026 CB LEU A 68 6.182 8.284 -14.570 1.00 1.00 C +ATOM 1027 CG LEU A 68 6.410 7.000 -13.770 1.00 1.00 C +ATOM 1028 CD1 LEU A 68 6.083 7.212 -12.290 1.00 1.00 C +ATOM 1029 CD2 LEU A 68 5.625 5.833 -14.370 1.00 1.00 C +ATOM 1030 H LEU A 68 8.423 9.525 -13.910 1.00 1.00 H +ATOM 1031 HA LEU A 68 7.527 7.887 -16.168 1.00 1.00 H +ATOM 1032 HB2 LEU A 68 5.978 9.094 -13.870 1.00 1.00 H +ATOM 1033 HB3 LEU A 68 5.286 8.156 -15.178 1.00 1.00 H +ATOM 1034 HG LEU A 68 7.468 6.742 -13.833 1.00 1.00 H +ATOM 1035 HD11 LEU A 68 6.194 8.265 -12.041 1.00 1.00 H +ATOM 1036 HD12 LEU A 68 5.057 6.899 -12.098 1.00 1.00 H +ATOM 1037 HD13 LEU A 68 6.764 6.619 -11.680 1.00 1.00 H +ATOM 1038 HD21 LEU A 68 5.268 6.107 -15.363 1.00 1.00 H +ATOM 1039 HD22 LEU A 68 6.273 4.959 -14.446 1.00 1.00 H +ATOM 1040 HD23 LEU A 68 4.775 5.599 -13.730 1.00 1.00 H +ATOM 1041 N TYR A 69 7.181 9.819 -17.626 1.00 1.00 N +ATOM 1042 CA TYR A 69 6.920 10.920 -18.537 1.00 1.00 C +ATOM 1043 C TYR A 69 5.930 10.507 -19.628 1.00 1.00 C +ATOM 1044 O TYR A 69 6.077 9.448 -20.237 1.00 1.00 O +ATOM 1045 CB TYR A 69 8.264 11.257 -19.187 1.00 1.00 C +ATOM 1046 CG TYR A 69 8.534 10.497 -20.488 1.00 1.00 C +ATOM 1047 CD1 TYR A 69 7.735 10.715 -21.591 1.00 1.00 C +ATOM 1048 CD2 TYR A 69 9.577 9.596 -20.556 1.00 1.00 C +ATOM 1049 CE1 TYR A 69 7.990 10.000 -22.815 1.00 1.00 C +ATOM 1050 CE2 TYR A 69 9.830 8.881 -21.780 1.00 1.00 C +ATOM 1051 CZ TYR A 69 9.025 9.118 -22.849 1.00 1.00 C +ATOM 1052 OH TYR A 69 9.266 8.444 -24.006 1.00 1.00 O +ATOM 1053 H TYR A 69 7.486 8.972 -18.062 1.00 1.00 H +ATOM 1054 HA TYR A 69 6.493 11.740 -17.961 1.00 1.00 H +ATOM 1055 HB2 TYR A 69 8.300 12.326 -19.389 1.00 1.00 H +ATOM 1056 HB3 TYR A 69 9.063 11.039 -18.478 1.00 1.00 H +ATOM 1057 HD1 TYR A 69 6.912 11.427 -21.537 1.00 1.00 H +ATOM 1058 HD2 TYR A 69 10.207 9.424 -19.684 1.00 1.00 H +ATOM 1059 HE1 TYR A 69 7.368 10.162 -23.696 1.00 1.00 H +ATOM 1060 HE2 TYR A 69 10.650 8.166 -21.848 1.00 1.00 H +ATOM 1061 HH TYR A 69 9.958 7.738 -23.853 1.00 1.00 H +ATOM 1062 N VAL A 70 4.943 11.363 -19.842 1.00 1.00 N +ATOM 1063 CA VAL A 70 3.928 11.099 -20.848 1.00 1.00 C +ATOM 1064 C VAL A 70 4.466 11.495 -22.225 1.00 1.00 C +ATOM 1065 O VAL A 70 4.454 10.690 -23.155 1.00 1.00 O +ATOM 1066 CB VAL A 70 2.629 11.822 -20.484 1.00 1.00 C +ATOM 1067 CG1 VAL A 70 1.447 11.257 -21.273 1.00 1.00 C +ATOM 1068 CG2 VAL A 70 2.368 11.754 -18.979 1.00 1.00 C +ATOM 1069 H VAL A 70 4.829 12.223 -19.342 1.00 1.00 H +ATOM 1070 HA VAL A 70 3.730 10.027 -20.843 1.00 1.00 H +ATOM 1071 HB VAL A 70 2.742 12.873 -20.757 1.00 1.00 H +ATOM 1072 HG11 VAL A 70 1.770 11.009 -22.285 1.00 1.00 H +ATOM 1073 HG12 VAL A 70 1.078 10.358 -20.779 1.00 1.00 H +ATOM 1074 HG13 VAL A 70 0.651 12.000 -21.317 1.00 1.00 H +ATOM 1075 HG21 VAL A 70 2.540 10.737 -18.625 1.00 1.00 H +ATOM 1076 HG22 VAL A 70 3.040 12.437 -18.461 1.00 1.00 H +ATOM 1077 HG23 VAL A 70 1.334 12.037 -18.776 1.00 1.00 H +ATOM 1078 N SER A 71 4.926 12.735 -22.311 1.00 1.00 N +ATOM 1079 CA SER A 71 5.468 13.247 -23.558 1.00 1.00 C +ATOM 1080 C SER A 71 6.944 12.865 -23.684 1.00 1.00 C +ATOM 1081 O SER A 71 7.307 12.045 -24.526 1.00 1.00 O +ATOM 1082 CB SER A 71 5.303 14.766 -23.648 1.00 1.00 C +ATOM 1083 OG SER A 71 5.865 15.294 -24.847 1.00 1.00 O +ATOM 1084 H SER A 71 4.932 13.384 -21.551 1.00 1.00 H +ATOM 1085 HA SER A 71 4.881 12.773 -24.345 1.00 1.00 H +ATOM 1086 HB2 SER A 71 4.244 15.019 -23.602 1.00 1.00 H +ATOM 1087 HB3 SER A 71 5.782 15.233 -22.787 1.00 1.00 H +ATOM 1088 HG SER A 71 6.703 14.800 -25.078 1.00 1.00 H +ATOM 1089 N SER A 72 7.754 13.475 -22.833 1.00 1.00 N +ATOM 1090 CA SER A 72 9.183 13.209 -22.839 1.00 1.00 C +ATOM 1091 C SER A 72 9.909 14.226 -21.955 1.00 1.00 C +ATOM 1092 O SER A 72 10.590 13.852 -21.002 1.00 1.00 O +ATOM 1093 CB SER A 72 9.745 13.244 -24.262 1.00 1.00 C +ATOM 1094 OG SER A 72 9.260 14.362 -24.999 1.00 1.00 O +ATOM 1095 H SER A 72 7.451 14.141 -22.151 1.00 1.00 H +ATOM 1096 HA SER A 72 9.291 12.203 -22.431 1.00 1.00 H +ATOM 1097 HB2 SER A 72 10.834 13.281 -24.219 1.00 1.00 H +ATOM 1098 HB3 SER A 72 9.477 12.324 -24.779 1.00 1.00 H +ATOM 1099 HG SER A 72 9.507 14.269 -25.963 1.00 1.00 H +ATOM 1100 N GLU A 73 9.738 15.493 -22.304 1.00 1.00 N +ATOM 1101 CA GLU A 73 10.367 16.567 -21.556 1.00 1.00 C +ATOM 1102 C GLU A 73 9.601 16.830 -20.257 1.00 1.00 C +ATOM 1103 O GLU A 73 10.021 17.647 -19.440 1.00 1.00 O +ATOM 1104 CB GLU A 73 10.467 17.839 -22.400 1.00 1.00 C +ATOM 1105 CG GLU A 73 9.324 17.915 -23.414 1.00 1.00 C +ATOM 1106 CD GLU A 73 9.124 19.347 -23.911 1.00 1.00 C +ATOM 1107 OE1 GLU A 73 8.475 20.119 -23.172 1.00 1.00 O +ATOM 1108 OE2 GLU A 73 9.626 19.640 -25.018 1.00 1.00 O +ATOM 1109 H GLU A 73 9.181 15.789 -23.082 1.00 1.00 H +ATOM 1110 HA GLU A 73 11.371 16.210 -21.328 1.00 1.00 H +ATOM 1111 HB2 GLU A 73 10.438 18.714 -21.751 1.00 1.00 H +ATOM 1112 HB3 GLU A 73 11.423 17.860 -22.921 1.00 1.00 H +ATOM 1113 HG2 GLU A 73 9.540 17.260 -24.261 1.00 1.00 H +ATOM 1114 HG3 GLU A 73 8.403 17.552 -22.958 1.00 1.00 H +ATOM 1115 N SER A 74 8.492 16.120 -20.109 1.00 1.00 N +ATOM 1116 CA SER A 74 7.664 16.266 -18.923 1.00 1.00 C +ATOM 1117 C SER A 74 7.682 14.969 -18.110 1.00 1.00 C +ATOM 1118 O SER A 74 6.669 14.275 -18.020 1.00 1.00 O +ATOM 1119 CB SER A 74 6.229 16.639 -19.297 1.00 1.00 C +ATOM 1120 OG SER A 74 5.938 16.347 -20.661 1.00 1.00 O +ATOM 1121 H SER A 74 8.159 15.457 -20.778 1.00 1.00 H +ATOM 1122 HA SER A 74 8.114 17.080 -18.355 1.00 1.00 H +ATOM 1123 HB2 SER A 74 5.534 16.096 -18.655 1.00 1.00 H +ATOM 1124 HB3 SER A 74 6.069 17.701 -19.112 1.00 1.00 H +ATOM 1125 HG SER A 74 5.028 16.682 -20.898 1.00 1.00 H +ATOM 1126 N ARG A 75 8.841 14.682 -17.539 1.00 1.00 N +ATOM 1127 CA ARG A 75 9.005 13.482 -16.737 1.00 1.00 C +ATOM 1128 C ARG A 75 8.762 13.794 -15.260 1.00 1.00 C +ATOM 1129 O ARG A 75 9.095 14.880 -14.788 1.00 1.00 O +ATOM 1130 CB ARG A 75 10.407 12.894 -16.903 1.00 1.00 C +ATOM 1131 CG ARG A 75 11.186 13.633 -17.992 1.00 1.00 C +ATOM 1132 CD ARG A 75 12.324 12.768 -18.536 1.00 1.00 C +ATOM 1133 NE ARG A 75 13.270 13.602 -19.311 1.00 1.00 N +ATOM 1134 CZ ARG A 75 14.530 13.246 -19.591 1.00 1.00 C +ATOM 1135 NH1 ARG A 75 15.005 12.068 -19.162 1.00 1.00 N +ATOM 1136 NH2 ARG A 75 15.317 14.067 -20.301 1.00 1.00 N +ATOM 1137 H ARG A 75 9.660 15.252 -17.618 1.00 1.00 H +ATOM 1138 HA ARG A 75 8.255 12.787 -17.120 1.00 1.00 H +ATOM 1139 HB2 ARG A 75 10.946 12.957 -15.958 1.00 1.00 H +ATOM 1140 HB3 ARG A 75 10.333 11.835 -17.158 1.00 1.00 H +ATOM 1141 HG2 ARG A 75 10.512 13.907 -18.805 1.00 1.00 H +ATOM 1142 HG3 ARG A 75 11.591 14.561 -17.589 1.00 1.00 H +ATOM 1143 HD2 ARG A 75 12.847 12.280 -17.713 1.00 1.00 H +ATOM 1144 HD3 ARG A 75 11.921 11.976 -19.170 1.00 1.00 H +ATOM 1145 HE ARG A 75 12.947 14.488 -19.645 1.00 1.00 H +ATOM 1146 HH11 ARG A 75 14.418 11.455 -18.633 1.00 1.00 H +ATOM 1147 HH12 ARG A 75 15.946 11.802 -19.372 1.00 1.00 H +ATOM 1148 HH21 ARG A 75 14.963 14.946 -20.621 1.00 1.00 H +ATOM 1149 HH22 ARG A 75 16.258 13.801 -20.510 1.00 1.00 H +ATOM 1150 N PHE A 76 8.183 12.822 -14.569 1.00 1.00 N +ATOM 1151 CA PHE A 76 7.892 12.980 -13.154 1.00 1.00 C +ATOM 1152 C PHE A 76 8.246 11.711 -12.377 1.00 1.00 C +ATOM 1153 O PHE A 76 8.685 10.722 -12.962 1.00 1.00 O +ATOM 1154 CB PHE A 76 6.389 13.236 -13.032 1.00 1.00 C +ATOM 1155 CG PHE A 76 5.913 14.504 -13.746 1.00 1.00 C +ATOM 1156 CD1 PHE A 76 5.681 14.485 -15.085 1.00 1.00 C +ATOM 1157 CD2 PHE A 76 5.725 15.651 -13.039 1.00 1.00 C +ATOM 1158 CE1 PHE A 76 5.239 15.661 -15.746 1.00 1.00 C +ATOM 1159 CE2 PHE A 76 5.283 16.827 -13.700 1.00 1.00 C +ATOM 1160 CZ PHE A 76 5.050 16.809 -15.039 1.00 1.00 C +ATOM 1161 H PHE A 76 7.915 11.941 -14.961 1.00 1.00 H +ATOM 1162 HA PHE A 76 8.499 13.809 -12.789 1.00 1.00 H +ATOM 1163 HB2 PHE A 76 5.850 12.380 -13.439 1.00 1.00 H +ATOM 1164 HB3 PHE A 76 6.126 13.304 -11.977 1.00 1.00 H +ATOM 1165 HD1 PHE A 76 5.833 13.566 -15.651 1.00 1.00 H +ATOM 1166 HD2 PHE A 76 5.911 15.667 -11.965 1.00 1.00 H +ATOM 1167 HE1 PHE A 76 5.052 15.646 -16.820 1.00 1.00 H +ATOM 1168 HE2 PHE A 76 5.132 17.746 -13.133 1.00 1.00 H +ATOM 1169 HZ PHE A 76 4.712 17.712 -15.547 1.00 1.00 H +ATOM 1170 N ASN A 77 8.040 11.780 -11.070 1.00 1.00 N +ATOM 1171 CA ASN A 77 8.331 10.648 -10.205 1.00 1.00 C +ATOM 1172 C ASN A 77 7.024 10.098 -9.634 1.00 1.00 C +ATOM 1173 O ASN A 77 6.801 8.889 -9.636 1.00 1.00 O +ATOM 1174 CB ASN A 77 9.222 11.065 -9.033 1.00 1.00 C +ATOM 1175 CG ASN A 77 8.476 10.930 -7.704 1.00 1.00 C +ATOM 1176 OD1 ASN A 77 7.913 11.878 -7.179 1.00 1.00 O +ATOM 1177 ND2 ASN A 77 8.504 9.704 -7.190 1.00 1.00 N +ATOM 1178 H ASN A 77 7.683 12.588 -10.601 1.00 1.00 H +ATOM 1179 HA ASN A 77 8.845 9.927 -10.841 1.00 1.00 H +ATOM 1180 HB2 ASN A 77 10.119 10.447 -9.015 1.00 1.00 H +ATOM 1181 HB3 ASN A 77 9.548 12.096 -9.167 1.00 1.00 H +ATOM 1182 HD21 ASN A 77 8.983 8.971 -7.672 1.00 1.00 H +ATOM 1183 HD22 ASN A 77 8.044 9.515 -6.323 1.00 1.00 H +ATOM 1184 N THR A 78 6.192 11.013 -9.157 1.00 1.00 N +ATOM 1185 CA THR A 78 4.912 10.634 -8.583 1.00 1.00 C +ATOM 1186 C THR A 78 3.766 11.079 -9.496 1.00 1.00 C +ATOM 1187 O THR A 78 3.723 12.231 -9.927 1.00 1.00 O +ATOM 1188 CB THR A 78 4.833 11.225 -7.174 1.00 1.00 C +ATOM 1189 OG1 THR A 78 5.220 10.150 -6.324 1.00 1.00 O +ATOM 1190 CG2 THR A 78 3.395 11.536 -6.751 1.00 1.00 C +ATOM 1191 H THR A 78 6.381 11.994 -9.159 1.00 1.00 H +ATOM 1192 HA THR A 78 4.870 9.547 -8.524 1.00 1.00 H +ATOM 1193 HB THR A 78 5.465 12.110 -7.087 1.00 1.00 H +ATOM 1194 HG1 THR A 78 4.876 10.304 -5.398 1.00 1.00 H +ATOM 1195 HG21 THR A 78 2.921 12.165 -7.506 1.00 1.00 H +ATOM 1196 HG22 THR A 78 2.837 10.606 -6.650 1.00 1.00 H +ATOM 1197 HG23 THR A 78 3.404 12.061 -5.795 1.00 1.00 H +ATOM 1198 N LEU A 79 2.867 10.143 -9.761 1.00 1.00 N +ATOM 1199 CA LEU A 79 1.725 10.425 -10.613 1.00 1.00 C +ATOM 1200 C LEU A 79 1.105 11.762 -10.204 1.00 1.00 C +ATOM 1201 O LEU A 79 0.792 12.592 -11.056 1.00 1.00 O +ATOM 1202 CB LEU A 79 0.737 9.255 -10.589 1.00 1.00 C +ATOM 1203 CG LEU A 79 0.878 8.283 -9.415 1.00 1.00 C +ATOM 1204 CD1 LEU A 79 -0.485 7.737 -8.990 1.00 1.00 C +ATOM 1205 CD2 LEU A 79 1.866 7.164 -9.748 1.00 1.00 C +ATOM 1206 H LEU A 79 2.910 9.209 -9.407 1.00 1.00 H +ATOM 1207 HA LEU A 79 2.093 10.513 -11.636 1.00 1.00 H +ATOM 1208 HB2 LEU A 79 -0.274 9.660 -10.579 1.00 1.00 H +ATOM 1209 HB3 LEU A 79 0.847 8.694 -11.516 1.00 1.00 H +ATOM 1210 HG LEU A 79 1.286 8.830 -8.567 1.00 1.00 H +ATOM 1211 HD11 LEU A 79 -1.249 8.087 -9.684 1.00 1.00 H +ATOM 1212 HD12 LEU A 79 -0.459 6.647 -9.000 1.00 1.00 H +ATOM 1213 HD13 LEU A 79 -0.719 8.085 -7.985 1.00 1.00 H +ATOM 1214 HD21 LEU A 79 2.710 7.576 -10.303 1.00 1.00 H +ATOM 1215 HD22 LEU A 79 2.226 6.711 -8.824 1.00 1.00 H +ATOM 1216 HD23 LEU A 79 1.369 6.407 -10.354 1.00 1.00 H +ATOM 1217 N ALA A 80 0.946 11.928 -8.899 1.00 1.00 N +ATOM 1218 CA ALA A 80 0.370 13.151 -8.365 1.00 1.00 C +ATOM 1219 C ALA A 80 0.973 14.354 -9.093 1.00 1.00 C +ATOM 1220 O ALA A 80 0.258 15.113 -9.745 1.00 1.00 O +ATOM 1221 CB ALA A 80 0.599 13.207 -6.854 1.00 1.00 C +ATOM 1222 H ALA A 80 1.203 11.248 -8.213 1.00 1.00 H +ATOM 1223 HA ALA A 80 -0.703 13.123 -8.557 1.00 1.00 H +ATOM 1224 HB1 ALA A 80 1.187 12.343 -6.544 1.00 1.00 H +ATOM 1225 HB2 ALA A 80 1.136 14.121 -6.602 1.00 1.00 H +ATOM 1226 HB3 ALA A 80 -0.362 13.196 -6.340 1.00 1.00 H +ATOM 1227 N GLU A 81 2.285 14.491 -8.955 1.00 1.00 N +ATOM 1228 CA GLU A 81 2.993 15.590 -9.590 1.00 1.00 C +ATOM 1229 C GLU A 81 2.670 15.635 -11.085 1.00 1.00 C +ATOM 1230 O GLU A 81 2.610 16.711 -11.678 1.00 1.00 O +ATOM 1231 CB GLU A 81 4.501 15.476 -9.358 1.00 1.00 C +ATOM 1232 CG GLU A 81 5.018 16.653 -8.529 1.00 1.00 C +ATOM 1233 CD GLU A 81 4.183 16.839 -7.259 1.00 1.00 C +ATOM 1234 OE1 GLU A 81 3.988 15.824 -6.555 1.00 1.00 O +ATOM 1235 OE2 GLU A 81 3.759 17.989 -7.023 1.00 1.00 O +ATOM 1236 H GLU A 81 2.859 13.869 -8.422 1.00 1.00 H +ATOM 1237 HA GLU A 81 2.623 16.492 -9.104 1.00 1.00 H +ATOM 1238 HB2 GLU A 81 4.725 14.539 -8.847 1.00 1.00 H +ATOM 1239 HB3 GLU A 81 5.019 15.447 -10.316 1.00 1.00 H +ATOM 1240 HG2 GLU A 81 6.061 16.483 -8.260 1.00 1.00 H +ATOM 1241 HG3 GLU A 81 4.987 17.564 -9.125 1.00 1.00 H +ATOM 1242 N LEU A 82 2.471 14.455 -11.651 1.00 1.00 N +ATOM 1243 CA LEU A 82 2.156 14.346 -13.066 1.00 1.00 C +ATOM 1244 C LEU A 82 0.815 15.031 -13.338 1.00 1.00 C +ATOM 1245 O LEU A 82 0.727 15.919 -14.185 1.00 1.00 O +ATOM 1246 CB LEU A 82 2.202 12.886 -13.515 1.00 1.00 C +ATOM 1247 CG LEU A 82 2.096 12.643 -15.022 1.00 1.00 C +ATOM 1248 CD1 LEU A 82 3.350 11.946 -15.555 1.00 1.00 C +ATOM 1249 CD2 LEU A 82 0.822 11.870 -15.365 1.00 1.00 C +ATOM 1250 H LEU A 82 2.522 13.584 -11.162 1.00 1.00 H +ATOM 1251 HA LEU A 82 2.932 14.878 -13.616 1.00 1.00 H +ATOM 1252 HB2 LEU A 82 3.136 12.447 -13.161 1.00 1.00 H +ATOM 1253 HB3 LEU A 82 1.393 12.348 -13.023 1.00 1.00 H +ATOM 1254 HG LEU A 82 2.030 13.610 -15.521 1.00 1.00 H +ATOM 1255 HD11 LEU A 82 3.480 10.992 -15.046 1.00 1.00 H +ATOM 1256 HD12 LEU A 82 3.243 11.775 -16.627 1.00 1.00 H +ATOM 1257 HD13 LEU A 82 4.221 12.577 -15.374 1.00 1.00 H +ATOM 1258 HD21 LEU A 82 0.705 11.035 -14.673 1.00 1.00 H +ATOM 1259 HD22 LEU A 82 -0.039 12.534 -15.283 1.00 1.00 H +ATOM 1260 HD23 LEU A 82 0.891 11.489 -16.384 1.00 1.00 H +ATOM 1261 N VAL A 83 -0.198 14.590 -12.605 1.00 1.00 N +ATOM 1262 CA VAL A 83 -1.531 15.150 -12.757 1.00 1.00 C +ATOM 1263 C VAL A 83 -1.478 16.659 -12.508 1.00 1.00 C +ATOM 1264 O VAL A 83 -2.185 17.425 -13.161 1.00 1.00 O +ATOM 1265 CB VAL A 83 -2.511 14.425 -11.833 1.00 1.00 C +ATOM 1266 CG1 VAL A 83 -3.697 15.325 -11.478 1.00 1.00 C +ATOM 1267 CG2 VAL A 83 -2.986 13.111 -12.459 1.00 1.00 C +ATOM 1268 H VAL A 83 -0.119 13.868 -11.919 1.00 1.00 H +ATOM 1269 HA VAL A 83 -1.845 14.974 -13.786 1.00 1.00 H +ATOM 1270 HB VAL A 83 -1.984 14.185 -10.910 1.00 1.00 H +ATOM 1271 HG11 VAL A 83 -3.699 16.197 -12.131 1.00 1.00 H +ATOM 1272 HG12 VAL A 83 -4.626 14.770 -11.611 1.00 1.00 H +ATOM 1273 HG13 VAL A 83 -3.611 15.647 -10.440 1.00 1.00 H +ATOM 1274 HG21 VAL A 83 -2.147 12.622 -12.954 1.00 1.00 H +ATOM 1275 HG22 VAL A 83 -3.378 12.459 -11.678 1.00 1.00 H +ATOM 1276 HG23 VAL A 83 -3.770 13.319 -13.188 1.00 1.00 H +ATOM 1277 N HIS A 84 -0.632 17.040 -11.561 1.00 1.00 N +ATOM 1278 CA HIS A 84 -0.478 18.444 -11.219 1.00 1.00 C +ATOM 1279 C HIS A 84 -0.126 19.244 -12.474 1.00 1.00 C +ATOM 1280 O HIS A 84 -0.833 20.184 -12.835 1.00 1.00 O +ATOM 1281 CB HIS A 84 0.548 18.619 -10.097 1.00 1.00 C +ATOM 1282 CG HIS A 84 -0.041 19.114 -8.797 1.00 1.00 C +ATOM 1283 ND1 HIS A 84 -1.369 18.925 -8.456 1.00 1.00 N +ATOM 1284 CD2 HIS A 84 0.529 19.792 -7.761 1.00 1.00 C +ATOM 1285 CE1 HIS A 84 -1.577 19.469 -7.267 1.00 1.00 C +ATOM 1286 NE2 HIS A 84 -0.399 20.006 -6.837 1.00 1.00 N +ATOM 1287 H HIS A 84 -0.060 16.410 -11.036 1.00 1.00 H +ATOM 1288 HA HIS A 84 -1.442 18.781 -10.842 1.00 1.00 H +ATOM 1289 HB2 HIS A 84 1.042 17.664 -9.919 1.00 1.00 H +ATOM 1290 HB3 HIS A 84 1.314 19.320 -10.426 1.00 1.00 H +ATOM 1291 HD1 HIS A 84 -2.055 18.457 -9.014 1.00 1.00 H +ATOM 1292 HD2 HIS A 84 1.572 20.105 -7.702 1.00 1.00 H +ATOM 1293 HE1 HIS A 84 -2.523 19.484 -6.725 1.00 1.00 H +ATOM 1294 N HIS A 85 0.967 18.842 -13.107 1.00 1.00 N +ATOM 1295 CA HIS A 85 1.421 19.509 -14.314 1.00 1.00 C +ATOM 1296 C HIS A 85 0.392 19.311 -15.428 1.00 1.00 C +ATOM 1297 O HIS A 85 0.066 20.252 -16.152 1.00 1.00 O +ATOM 1298 CB HIS A 85 2.820 19.030 -14.706 1.00 1.00 C +ATOM 1299 CG HIS A 85 3.221 19.393 -16.116 1.00 1.00 C +ATOM 1300 ND1 HIS A 85 3.501 20.692 -16.503 1.00 1.00 N +ATOM 1301 CD2 HIS A 85 3.388 18.617 -17.225 1.00 1.00 C +ATOM 1302 CE1 HIS A 85 3.819 20.685 -17.789 1.00 1.00 C +ATOM 1303 NE2 HIS A 85 3.750 19.399 -18.234 1.00 1.00 N +ATOM 1304 H HIS A 85 1.537 18.077 -12.806 1.00 1.00 H +ATOM 1305 HA HIS A 85 1.489 20.571 -14.078 1.00 1.00 H +ATOM 1306 HB2 HIS A 85 3.546 19.451 -14.011 1.00 1.00 H +ATOM 1307 HB3 HIS A 85 2.865 17.945 -14.596 1.00 1.00 H +ATOM 1308 HD1 HIS A 85 3.469 21.499 -15.913 1.00 1.00 H +ATOM 1309 HD2 HIS A 85 3.249 17.536 -17.272 1.00 1.00 H +ATOM 1310 HE1 HIS A 85 4.091 21.557 -18.388 1.00 1.00 H +ATOM 1311 N HIS A 86 -0.090 18.081 -15.533 1.00 1.00 N +ATOM 1312 CA HIS A 86 -1.076 17.747 -16.547 1.00 1.00 C +ATOM 1313 C HIS A 86 -2.423 18.370 -16.177 1.00 1.00 C +ATOM 1314 O HIS A 86 -3.420 18.155 -16.865 1.00 1.00 O +ATOM 1315 CB HIS A 86 -1.157 16.233 -16.749 1.00 1.00 C +ATOM 1316 CG HIS A 86 -0.011 15.657 -17.545 1.00 1.00 C +ATOM 1317 ND1 HIS A 86 0.712 16.399 -18.463 1.00 1.00 N +ATOM 1318 CD2 HIS A 86 0.528 14.404 -17.553 1.00 1.00 C +ATOM 1319 CE1 HIS A 86 1.641 15.619 -18.993 1.00 1.00 C +ATOM 1320 NE2 HIS A 86 1.525 14.383 -18.428 1.00 1.00 N +ATOM 1321 H HIS A 86 0.181 17.322 -14.942 1.00 1.00 H +ATOM 1322 HA HIS A 86 -0.725 18.188 -17.480 1.00 1.00 H +ATOM 1323 HB2 HIS A 86 -1.187 15.748 -15.772 1.00 1.00 H +ATOM 1324 HB3 HIS A 86 -2.094 15.994 -17.250 1.00 1.00 H +ATOM 1325 HD1 HIS A 86 0.558 17.361 -18.687 1.00 1.00 H +ATOM 1326 HD2 HIS A 86 0.196 13.563 -16.943 1.00 1.00 H +ATOM 1327 HE1 HIS A 86 2.371 15.912 -19.747 1.00 1.00 H +ATOM 1328 N SER A 87 -2.411 19.129 -15.091 1.00 1.00 N +ATOM 1329 CA SER A 87 -3.620 19.784 -14.623 1.00 1.00 C +ATOM 1330 C SER A 87 -3.845 21.083 -15.397 1.00 1.00 C +ATOM 1331 O SER A 87 -4.978 21.418 -15.738 1.00 1.00 O +ATOM 1332 CB SER A 87 -3.545 20.068 -13.121 1.00 1.00 C +ATOM 1333 OG SER A 87 -3.093 21.392 -12.850 1.00 1.00 O +ATOM 1334 H SER A 87 -1.595 19.299 -14.537 1.00 1.00 H +ATOM 1335 HA SER A 87 -4.426 19.077 -14.818 1.00 1.00 H +ATOM 1336 HB2 SER A 87 -4.529 19.921 -12.674 1.00 1.00 H +ATOM 1337 HB3 SER A 87 -2.872 19.351 -12.649 1.00 1.00 H +ATOM 1338 HG SER A 87 -2.366 21.644 -13.488 1.00 1.00 H +ATOM 1339 N THR A 88 -2.748 21.782 -15.652 1.00 1.00 N +ATOM 1340 CA THR A 88 -2.812 23.038 -16.379 1.00 1.00 C +ATOM 1341 C THR A 88 -2.141 22.896 -17.747 1.00 1.00 C +ATOM 1342 O THR A 88 -2.588 23.490 -18.727 1.00 1.00 O +ATOM 1343 CB THR A 88 -2.184 24.124 -15.504 1.00 1.00 C +ATOM 1344 OG1 THR A 88 -0.908 23.596 -15.156 1.00 1.00 O +ATOM 1345 CG2 THR A 88 -2.901 24.281 -14.161 1.00 1.00 C +ATOM 1346 H THR A 88 -1.831 21.503 -15.370 1.00 1.00 H +ATOM 1347 HA THR A 88 -3.860 23.276 -16.561 1.00 1.00 H +ATOM 1348 HB THR A 88 -2.141 25.075 -16.036 1.00 1.00 H +ATOM 1349 HG1 THR A 88 -0.515 24.120 -14.400 1.00 1.00 H +ATOM 1350 HG21 THR A 88 -3.368 23.335 -13.886 1.00 1.00 H +ATOM 1351 HG22 THR A 88 -2.180 24.567 -13.396 1.00 1.00 H +ATOM 1352 HG23 THR A 88 -3.667 25.052 -14.245 1.00 1.00 H +ATOM 1353 N VAL A 89 -1.077 22.106 -17.769 1.00 1.00 N +ATOM 1354 CA VAL A 89 -0.339 21.880 -19.000 1.00 1.00 C +ATOM 1355 C VAL A 89 -0.288 20.378 -19.288 1.00 1.00 C +ATOM 1356 O VAL A 89 0.699 19.714 -18.976 1.00 1.00 O +ATOM 1357 CB VAL A 89 1.048 22.517 -18.903 1.00 1.00 C +ATOM 1358 CG1 VAL A 89 1.857 22.267 -20.179 1.00 1.00 C +ATOM 1359 CG2 VAL A 89 0.944 24.014 -18.604 1.00 1.00 C +ATOM 1360 H VAL A 89 -0.720 21.627 -16.967 1.00 1.00 H +ATOM 1361 HA VAL A 89 -0.883 22.374 -19.805 1.00 1.00 H +ATOM 1362 HB VAL A 89 1.577 22.046 -18.075 1.00 1.00 H +ATOM 1363 HG11 VAL A 89 1.413 21.440 -20.733 1.00 1.00 H +ATOM 1364 HG12 VAL A 89 1.848 23.165 -20.796 1.00 1.00 H +ATOM 1365 HG13 VAL A 89 2.884 22.018 -19.914 1.00 1.00 H +ATOM 1366 HG21 VAL A 89 0.289 24.486 -19.336 1.00 1.00 H +ATOM 1367 HG22 VAL A 89 0.535 24.157 -17.604 1.00 1.00 H +ATOM 1368 HG23 VAL A 89 1.935 24.465 -18.660 1.00 1.00 H +ATOM 1369 N ALA A 90 -1.365 19.886 -19.885 1.00 1.00 N +ATOM 1370 CA ALA A 90 -1.454 18.474 -20.221 1.00 1.00 C +ATOM 1371 C ALA A 90 -0.454 18.155 -21.333 1.00 1.00 C +ATOM 1372 O ALA A 90 -0.847 17.800 -22.443 1.00 1.00 O +ATOM 1373 CB ALA A 90 -2.893 18.135 -20.615 1.00 1.00 C +ATOM 1374 H ALA A 90 -2.163 20.432 -20.138 1.00 1.00 H +ATOM 1375 HA ALA A 90 -1.191 17.904 -19.330 1.00 1.00 H +ATOM 1376 HB1 ALA A 90 -3.441 19.055 -20.820 1.00 1.00 H +ATOM 1377 HB2 ALA A 90 -2.887 17.508 -21.507 1.00 1.00 H +ATOM 1378 HB3 ALA A 90 -3.377 17.598 -19.798 1.00 1.00 H +ATOM 1379 N ASP A 91 0.820 18.290 -20.996 1.00 1.00 N +ATOM 1380 CA ASP A 91 1.880 18.019 -21.950 1.00 1.00 C +ATOM 1381 C ASP A 91 2.069 16.505 -22.082 1.00 1.00 C +ATOM 1382 O ASP A 91 3.190 16.006 -21.991 1.00 1.00 O +ATOM 1383 CB ASP A 91 3.207 18.622 -21.488 1.00 1.00 C +ATOM 1384 CG ASP A 91 3.408 20.095 -21.849 1.00 1.00 C +ATOM 1385 OD1 ASP A 91 2.619 20.588 -22.684 1.00 1.00 O +ATOM 1386 OD2 ASP A 91 4.346 20.697 -21.281 1.00 1.00 O +ATOM 1387 H ASP A 91 1.132 18.576 -20.089 1.00 1.00 H +ATOM 1388 HA ASP A 91 1.551 18.479 -22.883 1.00 1.00 H +ATOM 1389 HB2 ASP A 91 3.280 18.516 -20.406 1.00 1.00 H +ATOM 1390 HB3 ASP A 91 4.024 18.044 -21.921 1.00 1.00 H +ATOM 1391 N GLY A 92 0.956 15.818 -22.292 1.00 1.00 N +ATOM 1392 CA GLY A 92 0.985 14.372 -22.436 1.00 1.00 C +ATOM 1393 C GLY A 92 -0.431 13.803 -22.539 1.00 1.00 C +ATOM 1394 O GLY A 92 -0.800 13.229 -23.562 1.00 1.00 O +ATOM 1395 H GLY A 92 0.049 16.232 -22.364 1.00 1.00 H +ATOM 1396 HA2 GLY A 92 1.555 14.103 -23.325 1.00 1.00 H +ATOM 1397 HA3 GLY A 92 1.498 13.928 -21.582 1.00 1.00 H +ATOM 1398 N LEU A 93 -1.186 13.983 -21.466 1.00 1.00 N +ATOM 1399 CA LEU A 93 -2.555 13.493 -21.422 1.00 1.00 C +ATOM 1400 C LEU A 93 -3.401 14.270 -22.434 1.00 1.00 C +ATOM 1401 O LEU A 93 -3.100 15.421 -22.746 1.00 1.00 O +ATOM 1402 CB LEU A 93 -3.099 13.549 -19.994 1.00 1.00 C +ATOM 1403 CG LEU A 93 -2.055 13.494 -18.876 1.00 1.00 C +ATOM 1404 CD1 LEU A 93 -2.720 13.273 -17.516 1.00 1.00 C +ATOM 1405 CD2 LEU A 93 -0.988 12.439 -19.172 1.00 1.00 C +ATOM 1406 H LEU A 93 -0.879 14.449 -20.637 1.00 1.00 H +ATOM 1407 HA LEU A 93 -2.536 12.445 -21.720 1.00 1.00 H +ATOM 1408 HB2 LEU A 93 -3.675 14.466 -19.881 1.00 1.00 H +ATOM 1409 HB3 LEU A 93 -3.790 12.717 -19.858 1.00 1.00 H +ATOM 1410 HG LEU A 93 -1.550 14.460 -18.834 1.00 1.00 H +ATOM 1411 HD11 LEU A 93 -3.803 13.271 -17.637 1.00 1.00 H +ATOM 1412 HD12 LEU A 93 -2.396 12.316 -17.106 1.00 1.00 H +ATOM 1413 HD13 LEU A 93 -2.432 14.074 -16.836 1.00 1.00 H +ATOM 1414 HD21 LEU A 93 -1.429 11.629 -19.752 1.00 1.00 H +ATOM 1415 HD22 LEU A 93 -0.176 12.893 -19.741 1.00 1.00 H +ATOM 1416 HD23 LEU A 93 -0.598 12.044 -18.234 1.00 1.00 H +ATOM 1417 N ILE A 94 -4.441 13.609 -22.917 1.00 1.00 N +ATOM 1418 CA ILE A 94 -5.334 14.223 -23.886 1.00 1.00 C +ATOM 1419 C ILE A 94 -5.731 15.617 -23.396 1.00 1.00 C +ATOM 1420 O ILE A 94 -5.088 16.607 -23.741 1.00 1.00 O +ATOM 1421 CB ILE A 94 -6.527 13.309 -24.171 1.00 1.00 C +ATOM 1422 CG1 ILE A 94 -7.293 12.990 -22.885 1.00 1.00 C +ATOM 1423 CG2 ILE A 94 -6.084 12.040 -24.902 1.00 1.00 C +ATOM 1424 CD1 ILE A 94 -7.881 11.578 -22.933 1.00 1.00 C +ATOM 1425 H ILE A 94 -4.680 12.673 -22.658 1.00 1.00 H +ATOM 1426 HA ILE A 94 -4.779 14.329 -24.818 1.00 1.00 H +ATOM 1427 HB ILE A 94 -7.213 13.838 -24.832 1.00 1.00 H +ATOM 1428 HG12 ILE A 94 -6.626 13.082 -22.028 1.00 1.00 H +ATOM 1429 HG13 ILE A 94 -8.094 13.717 -22.745 1.00 1.00 H +ATOM 1430 HG21 ILE A 94 -5.425 12.309 -25.729 1.00 1.00 H +ATOM 1431 HG22 ILE A 94 -5.549 11.389 -24.210 1.00 1.00 H +ATOM 1432 HG23 ILE A 94 -6.959 11.519 -25.289 1.00 1.00 H +ATOM 1433 HD11 ILE A 94 -8.345 11.410 -23.906 1.00 1.00 H +ATOM 1434 HD12 ILE A 94 -7.087 10.848 -22.778 1.00 1.00 H +ATOM 1435 HD13 ILE A 94 -8.631 11.471 -22.150 1.00 1.00 H +ATOM 1436 N THR A 95 -6.788 15.650 -22.597 1.00 1.00 N +ATOM 1437 CA THR A 95 -7.278 16.905 -22.057 1.00 1.00 C +ATOM 1438 C THR A 95 -6.582 17.223 -20.732 1.00 1.00 C +ATOM 1439 O THR A 95 -5.355 17.292 -20.673 1.00 1.00 O +ATOM 1440 CB THR A 95 -8.800 16.805 -21.934 1.00 1.00 C +ATOM 1441 OG1 THR A 95 -9.217 16.292 -23.197 1.00 1.00 O +ATOM 1442 CG2 THR A 95 -9.472 18.178 -21.849 1.00 1.00 C +ATOM 1443 H THR A 95 -7.305 14.840 -22.321 1.00 1.00 H +ATOM 1444 HA THR A 95 -7.021 17.704 -22.752 1.00 1.00 H +ATOM 1445 HB THR A 95 -9.082 16.181 -21.087 1.00 1.00 H +ATOM 1446 HG1 THR A 95 -10.172 16.537 -23.367 1.00 1.00 H +ATOM 1447 HG21 THR A 95 -8.733 18.928 -21.567 1.00 1.00 H +ATOM 1448 HG22 THR A 95 -9.898 18.435 -22.820 1.00 1.00 H +ATOM 1449 HG23 THR A 95 -10.265 18.149 -21.103 1.00 1.00 H +ATOM 1450 N THR A 96 -7.395 17.409 -19.703 1.00 1.00 N +ATOM 1451 CA THR A 96 -6.873 17.717 -18.382 1.00 1.00 C +ATOM 1452 C THR A 96 -7.814 17.189 -17.298 1.00 1.00 C +ATOM 1453 O THR A 96 -9.007 17.491 -17.306 1.00 1.00 O +ATOM 1454 CB THR A 96 -6.645 19.229 -18.305 1.00 1.00 C +ATOM 1455 OG1 THR A 96 -7.879 19.741 -17.812 1.00 1.00 O +ATOM 1456 CG2 THR A 96 -6.502 19.870 -19.687 1.00 1.00 C +ATOM 1457 H THR A 96 -8.392 17.351 -19.760 1.00 1.00 H +ATOM 1458 HA THR A 96 -5.921 17.199 -18.259 1.00 1.00 H +ATOM 1459 HB THR A 96 -5.786 19.462 -17.676 1.00 1.00 H +ATOM 1460 HG1 THR A 96 -8.645 19.319 -18.299 1.00 1.00 H +ATOM 1461 HG21 THR A 96 -7.350 19.588 -20.309 1.00 1.00 H +ATOM 1462 HG22 THR A 96 -6.471 20.956 -19.583 1.00 1.00 H +ATOM 1463 HG23 THR A 96 -5.579 19.524 -20.153 1.00 1.00 H +ATOM 1464 N LEU A 97 -7.244 16.409 -16.392 1.00 1.00 N +ATOM 1465 CA LEU A 97 -8.017 15.837 -15.304 1.00 1.00 C +ATOM 1466 C LEU A 97 -9.156 16.791 -14.935 1.00 1.00 C +ATOM 1467 O LEU A 97 -8.994 18.008 -14.997 1.00 1.00 O +ATOM 1468 CB LEU A 97 -7.106 15.482 -14.127 1.00 1.00 C +ATOM 1469 CG LEU A 97 -5.886 16.384 -13.929 1.00 1.00 C +ATOM 1470 CD1 LEU A 97 -4.752 15.986 -14.874 1.00 1.00 C +ATOM 1471 CD2 LEU A 97 -6.263 17.859 -14.075 1.00 1.00 C +ATOM 1472 H LEU A 97 -6.273 16.169 -16.393 1.00 1.00 H +ATOM 1473 HA LEU A 97 -8.451 14.904 -15.667 1.00 1.00 H +ATOM 1474 HB2 LEU A 97 -7.701 15.503 -13.213 1.00 1.00 H +ATOM 1475 HB3 LEU A 97 -6.759 14.457 -14.258 1.00 1.00 H +ATOM 1476 HG LEU A 97 -5.521 16.245 -12.911 1.00 1.00 H +ATOM 1477 HD11 LEU A 97 -5.015 15.064 -15.392 1.00 1.00 H +ATOM 1478 HD12 LEU A 97 -4.593 16.780 -15.605 1.00 1.00 H +ATOM 1479 HD13 LEU A 97 -3.836 15.832 -14.301 1.00 1.00 H +ATOM 1480 HD21 LEU A 97 -7.296 18.004 -13.751 1.00 1.00 H +ATOM 1481 HD22 LEU A 97 -5.602 18.467 -13.460 1.00 1.00 H +ATOM 1482 HD23 LEU A 97 -6.167 18.157 -15.118 1.00 1.00 H +ATOM 1483 N HIS A 98 -10.281 16.201 -14.560 1.00 1.00 N +ATOM 1484 CA HIS A 98 -11.446 16.982 -14.181 1.00 1.00 C +ATOM 1485 C HIS A 98 -12.101 16.362 -12.946 1.00 1.00 C +ATOM 1486 O HIS A 98 -12.304 17.040 -11.941 1.00 1.00 O +ATOM 1487 CB HIS A 98 -12.413 17.121 -15.358 1.00 1.00 C +ATOM 1488 CG HIS A 98 -13.496 18.152 -15.146 1.00 1.00 C +ATOM 1489 ND1 HIS A 98 -13.490 19.385 -15.774 1.00 1.00 N +ATOM 1490 CD2 HIS A 98 -14.616 18.120 -14.370 1.00 1.00 C +ATOM 1491 CE1 HIS A 98 -14.564 20.057 -15.387 1.00 1.00 C +ATOM 1492 NE2 HIS A 98 -15.261 19.272 -14.514 1.00 1.00 N +ATOM 1493 H HIS A 98 -10.405 15.208 -14.513 1.00 1.00 H +ATOM 1494 HA HIS A 98 -11.084 17.979 -13.930 1.00 1.00 H +ATOM 1495 HB2 HIS A 98 -11.846 17.384 -16.253 1.00 1.00 H +ATOM 1496 HB3 HIS A 98 -12.878 16.153 -15.549 1.00 1.00 H +ATOM 1497 HD1 HIS A 98 -12.795 19.714 -16.414 1.00 1.00 H +ATOM 1498 HD2 HIS A 98 -14.930 17.290 -13.737 1.00 1.00 H +ATOM 1499 HE1 HIS A 98 -14.842 21.061 -15.706 1.00 1.00 H +ATOM 1500 N TYR A 99 -12.413 15.080 -13.062 1.00 1.00 N +ATOM 1501 CA TYR A 99 -13.041 14.360 -11.967 1.00 1.00 C +ATOM 1502 C TYR A 99 -12.283 13.070 -11.653 1.00 1.00 C +ATOM 1503 O TYR A 99 -12.292 12.131 -12.449 1.00 1.00 O +ATOM 1504 CB TYR A 99 -14.449 14.007 -12.448 1.00 1.00 C +ATOM 1505 CG TYR A 99 -15.536 14.201 -11.388 1.00 1.00 C +ATOM 1506 CD1 TYR A 99 -15.638 13.317 -10.333 1.00 1.00 C +ATOM 1507 CD2 TYR A 99 -16.413 15.261 -11.487 1.00 1.00 C +ATOM 1508 CE1 TYR A 99 -16.659 13.499 -9.336 1.00 1.00 C +ATOM 1509 CE2 TYR A 99 -17.435 15.445 -10.488 1.00 1.00 C +ATOM 1510 CZ TYR A 99 -17.509 14.554 -9.463 1.00 1.00 C +ATOM 1511 OH TYR A 99 -18.474 14.727 -8.520 1.00 1.00 O +ATOM 1512 H TYR A 99 -12.243 14.535 -13.884 1.00 1.00 H +ATOM 1513 HA TYR A 99 -13.025 15.005 -11.088 1.00 1.00 H +ATOM 1514 HB2 TYR A 99 -14.690 14.619 -13.316 1.00 1.00 H +ATOM 1515 HB3 TYR A 99 -14.459 12.968 -12.777 1.00 1.00 H +ATOM 1516 HD1 TYR A 99 -14.945 12.479 -10.256 1.00 1.00 H +ATOM 1517 HD2 TYR A 99 -16.333 15.960 -12.318 1.00 1.00 H +ATOM 1518 HE1 TYR A 99 -16.752 12.808 -8.499 1.00 1.00 H +ATOM 1519 HE2 TYR A 99 -18.135 16.278 -10.554 1.00 1.00 H +ATOM 1520 HH TYR A 99 -18.218 14.254 -7.678 1.00 1.00 H +ATOM 1521 N PRO A 100 -11.627 13.062 -10.461 1.00 1.00 N +ATOM 1522 CA PRO A 100 -10.866 11.902 -10.032 1.00 1.00 C +ATOM 1523 C PRO A 100 -11.794 10.777 -9.567 1.00 1.00 C +ATOM 1524 O PRO A 100 -11.971 10.569 -8.368 1.00 1.00 O +ATOM 1525 CB PRO A 100 -9.956 12.414 -8.928 1.00 1.00 C +ATOM 1526 CG PRO A 100 -10.565 13.727 -8.462 1.00 1.00 C +ATOM 1527 CD PRO A 100 -11.595 14.155 -9.494 1.00 1.00 C +ATOM 1528 HA PRO A 100 -10.344 11.526 -10.798 1.00 1.00 H +ATOM 1529 HB2 PRO A 100 -9.894 11.699 -8.108 1.00 1.00 H +ATOM 1530 HB3 PRO A 100 -8.941 12.565 -9.297 1.00 1.00 H +ATOM 1531 HG2 PRO A 100 -11.031 13.605 -7.484 1.00 1.00 H +ATOM 1532 HG3 PRO A 100 -9.792 14.488 -8.353 1.00 1.00 H +ATOM 1533 HD2 PRO A 100 -12.573 14.310 -9.037 1.00 1.00 H +ATOM 1534 HD3 PRO A 100 -11.313 15.096 -9.968 1.00 1.00 H +ATOM 1535 N ALA A 101 -12.363 10.083 -10.542 1.00 1.00 N +ATOM 1536 CA ALA A 101 -13.268 8.985 -10.248 1.00 1.00 C +ATOM 1537 C ALA A 101 -12.696 8.152 -9.100 1.00 1.00 C +ATOM 1538 O ALA A 101 -11.804 7.331 -9.309 1.00 1.00 O +ATOM 1539 CB ALA A 101 -13.495 8.157 -11.514 1.00 1.00 C +ATOM 1540 H ALA A 101 -12.215 10.259 -11.515 1.00 1.00 H +ATOM 1541 HA ALA A 101 -14.220 9.415 -9.934 1.00 1.00 H +ATOM 1542 HB1 ALA A 101 -12.921 8.584 -12.336 1.00 1.00 H +ATOM 1543 HB2 ALA A 101 -13.172 7.130 -11.340 1.00 1.00 H +ATOM 1544 HB3 ALA A 101 -14.555 8.166 -11.769 1.00 1.00 H +ATOM 1545 N PRO A 102 -13.249 8.395 -7.881 1.00 1.00 N +ATOM 1546 CA PRO A 102 -12.802 7.676 -6.700 1.00 1.00 C +ATOM 1547 C PRO A 102 -13.339 6.244 -6.695 1.00 1.00 C +ATOM 1548 O PRO A 102 -14.037 5.835 -7.623 1.00 1.00 O +ATOM 1549 CB PRO A 102 -13.301 8.501 -5.525 1.00 1.00 C +ATOM 1550 CG PRO A 102 -14.398 9.395 -6.079 1.00 1.00 C +ATOM 1551 CD PRO A 102 -14.307 9.360 -7.596 1.00 1.00 C +ATOM 1552 HA PRO A 102 -11.806 7.593 -6.700 1.00 1.00 H +ATOM 1553 HB2 PRO A 102 -13.683 7.859 -4.731 1.00 1.00 H +ATOM 1554 HB3 PRO A 102 -12.493 9.095 -5.095 1.00 1.00 H +ATOM 1555 HG2 PRO A 102 -15.376 9.048 -5.747 1.00 1.00 H +ATOM 1556 HG3 PRO A 102 -14.280 10.416 -5.715 1.00 1.00 H +ATOM 1557 HD2 PRO A 102 -15.253 9.051 -8.042 1.00 1.00 H +ATOM 1558 HD3 PRO A 102 -14.069 10.341 -8.002 1.00 1.00 H +ATOM 1559 N LYS A 103 -12.996 5.519 -5.639 1.00 1.00 N +ATOM 1560 CA LYS A 103 -13.435 4.142 -5.501 1.00 1.00 C +ATOM 1561 C LYS A 103 -14.713 4.100 -4.661 1.00 1.00 C +ATOM 1562 O LYS A 103 -14.979 5.015 -3.883 1.00 1.00 O +ATOM 1563 CB LYS A 103 -12.305 3.271 -4.948 1.00 1.00 C +ATOM 1564 CG LYS A 103 -10.947 3.732 -5.481 1.00 1.00 C +ATOM 1565 CD LYS A 103 -10.750 3.287 -6.933 1.00 1.00 C +ATOM 1566 CE LYS A 103 -10.684 4.494 -7.871 1.00 1.00 C +ATOM 1567 NZ LYS A 103 -11.925 4.596 -8.672 1.00 1.00 N +ATOM 1568 H LYS A 103 -12.428 5.859 -4.889 1.00 1.00 H +ATOM 1569 HA LYS A 103 -13.667 3.771 -6.500 1.00 1.00 H +ATOM 1570 HB2 LYS A 103 -12.306 3.318 -3.859 1.00 1.00 H +ATOM 1571 HB3 LYS A 103 -12.474 2.231 -5.222 1.00 1.00 H +ATOM 1572 HG2 LYS A 103 -10.875 4.817 -5.418 1.00 1.00 H +ATOM 1573 HG3 LYS A 103 -10.151 3.321 -4.861 1.00 1.00 H +ATOM 1574 HD2 LYS A 103 -9.832 2.705 -7.018 1.00 1.00 H +ATOM 1575 HD3 LYS A 103 -11.570 2.633 -7.231 1.00 1.00 H +ATOM 1576 HE2 LYS A 103 -10.542 5.405 -7.292 1.00 1.00 H +ATOM 1577 HE3 LYS A 103 -9.823 4.400 -8.535 1.00 1.00 H +ATOM 1578 HZ1 LYS A 103 -12.639 4.035 -8.252 1.00 1.00 H +ATOM 1579 HZ2 LYS A 103 -12.224 5.550 -8.702 1.00 1.00 H +ATOM 1580 HZ3 LYS A 103 -11.749 4.271 -9.602 1.00 1.00 H +ATOM 1581 N ARG A 104 -15.470 3.028 -4.844 1.00 1.00 N +ATOM 1582 CA ARG A 104 -16.712 2.855 -4.113 1.00 1.00 C +ATOM 1583 C ARG A 104 -16.445 2.185 -2.764 1.00 1.00 C +ATOM 1584 O ARG A 104 -16.573 0.969 -2.634 1.00 1.00 O +ATOM 1585 CB ARG A 104 -17.706 2.007 -4.908 1.00 1.00 C +ATOM 1586 CG ARG A 104 -18.827 2.872 -5.486 1.00 1.00 C +ATOM 1587 CD ARG A 104 -18.596 3.146 -6.973 1.00 1.00 C +ATOM 1588 NE ARG A 104 -19.650 4.045 -7.493 1.00 1.00 N +ATOM 1589 CZ ARG A 104 -19.764 5.339 -7.162 1.00 1.00 C +ATOM 1590 NH1 ARG A 104 -18.889 5.894 -6.313 1.00 1.00 N +ATOM 1591 NH2 ARG A 104 -20.753 6.079 -7.683 1.00 1.00 N +ATOM 1592 H ARG A 104 -15.247 2.289 -5.479 1.00 1.00 H +ATOM 1593 HA ARG A 104 -17.100 3.865 -3.979 1.00 1.00 H +ATOM 1594 HB2 ARG A 104 -17.186 1.491 -5.714 1.00 1.00 H +ATOM 1595 HB3 ARG A 104 -18.132 1.238 -4.261 1.00 1.00 H +ATOM 1596 HG2 ARG A 104 -19.785 2.372 -5.350 1.00 1.00 H +ATOM 1597 HG3 ARG A 104 -18.881 3.815 -4.942 1.00 1.00 H +ATOM 1598 HD2 ARG A 104 -17.614 3.600 -7.119 1.00 1.00 H +ATOM 1599 HD3 ARG A 104 -18.599 2.209 -7.529 1.00 1.00 H +ATOM 1600 HE ARG A 104 -20.320 3.664 -8.130 1.00 1.00 H +ATOM 1601 HH11 ARG A 104 -18.150 5.342 -5.924 1.00 1.00 H +ATOM 1602 HH12 ARG A 104 -18.973 6.860 -6.066 1.00 1.00 H +ATOM 1603 HH21 ARG A 104 -21.405 5.666 -8.317 1.00 1.00 H +ATOM 1604 HH22 ARG A 104 -20.837 7.045 -7.437 1.00 1.00 H +ATOM 1605 N GLY A 105 -16.079 3.010 -1.792 1.00 1.00 N +ATOM 1606 CA GLY A 105 -15.792 2.513 -0.457 1.00 1.00 C +ATOM 1607 C GLY A 105 -14.346 2.819 -0.056 1.00 1.00 C +ATOM 1608 O GLY A 105 -13.957 3.981 0.033 1.00 1.00 O +ATOM 1609 H GLY A 105 -15.977 3.998 -1.905 1.00 1.00 H +ATOM 1610 HA2 GLY A 105 -16.475 2.966 0.259 1.00 1.00 H +ATOM 1611 HA3 GLY A 105 -15.962 1.436 -0.421 1.00 1.00 H +ATOM 1612 N ILE A 106 -13.591 1.754 0.174 1.00 1.00 N +ATOM 1613 CA ILE A 106 -12.199 1.895 0.563 1.00 1.00 C +ATOM 1614 C ILE A 106 -11.303 1.468 -0.602 1.00 1.00 C +ATOM 1615 O ILE A 106 -10.660 2.303 -1.234 1.00 1.00 O +ATOM 1616 CB ILE A 106 -11.925 1.133 1.862 1.00 1.00 C +ATOM 1617 CG1 ILE A 106 -12.787 1.672 3.004 1.00 1.00 C +ATOM 1618 CG2 ILE A 106 -10.436 1.155 2.206 1.00 1.00 C +ATOM 1619 CD1 ILE A 106 -12.422 3.122 3.331 1.00 1.00 C +ATOM 1620 H ILE A 106 -13.917 0.811 0.099 1.00 1.00 H +ATOM 1621 HA ILE A 106 -12.022 2.952 0.766 1.00 1.00 H +ATOM 1622 HB ILE A 106 -12.206 0.091 1.711 1.00 1.00 H +ATOM 1623 HG12 ILE A 106 -13.841 1.612 2.732 1.00 1.00 H +ATOM 1624 HG13 ILE A 106 -12.653 1.052 3.892 1.00 1.00 H +ATOM 1625 HG21 ILE A 106 -9.910 1.806 1.507 1.00 1.00 H +ATOM 1626 HG22 ILE A 106 -10.303 1.532 3.222 1.00 1.00 H +ATOM 1627 HG23 ILE A 106 -10.031 0.146 2.139 1.00 1.00 H +ATOM 1628 HD11 ILE A 106 -11.629 3.455 2.662 1.00 1.00 H +ATOM 1629 HD12 ILE A 106 -13.300 3.755 3.201 1.00 1.00 H +ATOM 1630 HD13 ILE A 106 -12.079 3.187 4.363 1.00 1.00 H +ATOM 1631 N HIS A 107 -11.290 0.166 -0.848 1.00 1.00 N +ATOM 1632 CA HIS A 107 -10.483 -0.383 -1.925 1.00 1.00 C +ATOM 1633 C HIS A 107 -10.599 -1.908 -1.927 1.00 1.00 C +ATOM 1634 O HIS A 107 -9.591 -2.611 -1.862 1.00 1.00 O +ATOM 1635 CB HIS A 107 -9.034 0.101 -1.820 1.00 1.00 C +ATOM 1636 CG HIS A 107 -8.428 -0.067 -0.448 1.00 1.00 C +ATOM 1637 ND1 HIS A 107 -8.383 -1.286 0.206 1.00 1.00 N +ATOM 1638 CD2 HIS A 107 -7.844 0.840 0.385 1.00 1.00 C +ATOM 1639 CE1 HIS A 107 -7.795 -1.109 1.380 1.00 1.00 C +ATOM 1640 NE2 HIS A 107 -7.462 0.210 1.489 1.00 1.00 N +ATOM 1641 H HIS A 107 -11.815 -0.508 -0.328 1.00 1.00 H +ATOM 1642 HA HIS A 107 -10.897 0.006 -2.855 1.00 1.00 H +ATOM 1643 HB2 HIS A 107 -8.428 -0.443 -2.545 1.00 1.00 H +ATOM 1644 HB3 HIS A 107 -8.995 1.155 -2.098 1.00 1.00 H +ATOM 1645 HD1 HIS A 107 -8.733 -2.153 -0.146 1.00 1.00 H +ATOM 1646 HD2 HIS A 107 -7.711 1.902 0.179 1.00 1.00 H +ATOM 1647 HE1 HIS A 107 -7.610 -1.879 2.128 1.00 1.00 H +ATOM 1648 N ARG A 108 -11.836 -2.375 -2.002 1.00 1.00 N +ATOM 1649 CA ARG A 108 -12.097 -3.805 -2.013 1.00 1.00 C +ATOM 1650 C ARG A 108 -13.424 -4.097 -2.718 1.00 1.00 C +ATOM 1651 O ARG A 108 -14.344 -4.643 -2.114 1.00 1.00 O +ATOM 1652 CB ARG A 108 -12.150 -4.367 -0.591 1.00 1.00 C +ATOM 1653 CG ARG A 108 -13.238 -3.676 0.231 1.00 1.00 C +ATOM 1654 CD ARG A 108 -12.623 -2.800 1.328 1.00 1.00 C +ATOM 1655 NE ARG A 108 -12.075 -3.651 2.406 1.00 1.00 N +ATOM 1656 CZ ARG A 108 -11.275 -3.202 3.385 1.00 1.00 C +ATOM 1657 NH1 ARG A 108 -10.927 -1.909 3.423 1.00 1.00 N +ATOM 1658 NH2 ARG A 108 -10.824 -4.047 4.321 1.00 1.00 N +ATOM 1659 H ARG A 108 -12.650 -1.797 -2.054 1.00 1.00 H +ATOM 1660 HA ARG A 108 -11.259 -4.237 -2.560 1.00 1.00 H +ATOM 1661 HB2 ARG A 108 -12.342 -5.438 -0.626 1.00 1.00 H +ATOM 1662 HB3 ARG A 108 -11.182 -4.232 -0.107 1.00 1.00 H +ATOM 1663 HG2 ARG A 108 -13.859 -3.063 -0.421 1.00 1.00 H +ATOM 1664 HG3 ARG A 108 -13.889 -4.424 0.683 1.00 1.00 H +ATOM 1665 HD2 ARG A 108 -11.834 -2.177 0.907 1.00 1.00 H +ATOM 1666 HD3 ARG A 108 -13.379 -2.126 1.733 1.00 1.00 H +ATOM 1667 HE ARG A 108 -12.316 -4.622 2.407 1.00 1.00 H +ATOM 1668 HH11 ARG A 108 -11.262 -1.279 2.723 1.00 1.00 H +ATOM 1669 HH12 ARG A 108 -10.329 -1.575 4.153 1.00 1.00 H +ATOM 1670 HH21 ARG A 108 -11.084 -5.012 4.292 1.00 1.00 H +ATOM 1671 HH22 ARG A 108 -10.226 -3.713 5.050 1.00 1.00 H +ATOM 1672 N ASP A 109 -13.478 -3.720 -3.987 1.00 1.00 N +ATOM 1673 CA ASP A 109 -14.676 -3.934 -4.780 1.00 1.00 C +ATOM 1674 C ASP A 109 -14.605 -5.311 -5.442 1.00 1.00 C +ATOM 1675 O ASP A 109 -13.507 -5.907 -5.395 1.00 1.00 O +ATOM 1676 CB ASP A 109 -14.799 -2.885 -5.887 1.00 1.00 C +ATOM 1677 CG ASP A 109 -15.687 -3.288 -7.065 1.00 1.00 C +ATOM 1678 OD1 ASP A 109 -15.370 -4.226 -7.812 1.00 1.00 O +ATOM 1679 OD2 ASP A 109 -16.760 -2.587 -7.206 1.00 1.00 O +ATOM 1680 OXT ASP A 109 -15.596 -5.793 -5.989 1.00 1.00 O +ATOM 1681 H ASP A 109 -12.724 -3.275 -4.471 1.00 1.00 H +ATOM 1682 HA ASP A 109 -15.505 -3.851 -4.076 1.00 1.00 H +ATOM 1683 HB2 ASP A 109 -15.193 -1.964 -5.454 1.00 1.00 H +ATOM 1684 HB3 ASP A 109 -13.802 -2.657 -6.263 1.00 1.00 H +TER 1685 ASP A 109 +ENDMDL +MODEL 20 +ATOM 1 N GLY A 1 5.564 2.417 -5.292 1.00 1.00 N +ATOM 2 CA GLY A 1 6.117 3.737 -5.042 1.00 1.00 C +ATOM 3 C GLY A 1 5.361 4.444 -3.916 1.00 1.00 C +ATOM 4 O GLY A 1 4.221 4.093 -3.612 1.00 1.00 O +ATOM 5 H1 GLY A 1 5.159 2.053 -4.436 1.00 1.00 H +ATOM 6 H2 GLY A 1 4.845 2.480 -6.005 1.00 1.00 H +ATOM 7 H3 GLY A 1 6.300 1.795 -5.607 1.00 1.00 H +ATOM 8 HA2 GLY A 1 7.170 3.650 -4.779 1.00 1.00 H +ATOM 9 HA3 GLY A 1 6.063 4.335 -5.952 1.00 1.00 H +ATOM 10 N SER A 2 6.024 5.427 -3.327 1.00 1.00 N +ATOM 11 CA SER A 2 5.430 6.186 -2.240 1.00 1.00 C +ATOM 12 C SER A 2 4.906 5.235 -1.162 1.00 1.00 C +ATOM 13 O SER A 2 4.954 4.017 -1.328 1.00 1.00 O +ATOM 14 CB SER A 2 4.303 7.086 -2.748 1.00 1.00 C +ATOM 15 OG SER A 2 3.403 6.382 -3.603 1.00 1.00 O +ATOM 16 H SER A 2 6.951 5.707 -3.580 1.00 1.00 H +ATOM 17 HA SER A 2 6.236 6.804 -1.844 1.00 1.00 H +ATOM 18 HB2 SER A 2 3.752 7.492 -1.899 1.00 1.00 H +ATOM 19 HB3 SER A 2 4.728 7.931 -3.288 1.00 1.00 H +ATOM 20 HG SER A 2 3.784 6.321 -4.525 1.00 1.00 H +ATOM 21 N GLY A 3 4.418 5.827 -0.082 1.00 1.00 N +ATOM 22 CA GLY A 3 3.886 5.047 1.024 1.00 1.00 C +ATOM 23 C GLY A 3 2.359 5.143 1.076 1.00 1.00 C +ATOM 24 O GLY A 3 1.678 4.800 0.111 1.00 1.00 O +ATOM 25 H GLY A 3 4.383 6.818 0.046 1.00 1.00 H +ATOM 26 HA2 GLY A 3 4.185 4.005 0.914 1.00 1.00 H +ATOM 27 HA3 GLY A 3 4.309 5.403 1.961 1.00 1.00 H +ATOM 28 N ASN A 4 1.868 5.611 2.213 1.00 1.00 N +ATOM 29 CA ASN A 4 0.434 5.756 2.405 1.00 1.00 C +ATOM 30 C ASN A 4 -0.281 4.538 1.818 1.00 1.00 C +ATOM 31 O ASN A 4 -1.286 4.679 1.122 1.00 1.00 O +ATOM 32 CB ASN A 4 -0.093 7.004 1.692 1.00 1.00 C +ATOM 33 CG ASN A 4 0.401 7.058 0.247 1.00 1.00 C +ATOM 34 OD1 ASN A 4 -0.146 6.437 -0.649 1.00 1.00 O +ATOM 35 ND2 ASN A 4 1.466 7.836 0.068 1.00 1.00 N +ATOM 36 H ASN A 4 2.428 5.888 2.994 1.00 1.00 H +ATOM 37 HA ASN A 4 0.296 5.842 3.483 1.00 1.00 H +ATOM 38 HB2 ASN A 4 -1.183 7.002 1.708 1.00 1.00 H +ATOM 39 HB3 ASN A 4 0.232 7.897 2.226 1.00 1.00 H +ATOM 40 HD21 ASN A 4 1.869 8.318 0.845 1.00 1.00 H +ATOM 41 HD22 ASN A 4 1.865 7.936 -0.844 1.00 1.00 H +ATOM 42 N SER A 5 0.265 3.369 2.119 1.00 1.00 N +ATOM 43 CA SER A 5 -0.308 2.127 1.629 1.00 1.00 C +ATOM 44 C SER A 5 -0.183 2.058 0.106 1.00 1.00 C +ATOM 45 O SER A 5 0.622 1.291 -0.421 1.00 1.00 O +ATOM 46 CB SER A 5 -1.774 1.994 2.048 1.00 1.00 C +ATOM 47 OG SER A 5 -2.286 0.690 1.791 1.00 1.00 O +ATOM 48 H SER A 5 1.083 3.263 2.685 1.00 1.00 H +ATOM 49 HA SER A 5 0.276 1.335 2.098 1.00 1.00 H +ATOM 50 HB2 SER A 5 -1.869 2.219 3.111 1.00 1.00 H +ATOM 51 HB3 SER A 5 -2.372 2.731 1.512 1.00 1.00 H +ATOM 52 HG SER A 5 -2.038 0.072 2.537 1.00 1.00 H +ATOM 53 N LEU A 6 -0.992 2.869 -0.560 1.00 1.00 N +ATOM 54 CA LEU A 6 -0.982 2.909 -2.012 1.00 1.00 C +ATOM 55 C LEU A 6 -1.957 3.983 -2.495 1.00 1.00 C +ATOM 56 O LEU A 6 -1.780 4.547 -3.574 1.00 1.00 O +ATOM 57 CB LEU A 6 -1.263 1.519 -2.589 1.00 1.00 C +ATOM 58 CG LEU A 6 -2.716 1.043 -2.512 1.00 1.00 C +ATOM 59 CD1 LEU A 6 -3.241 1.116 -1.078 1.00 1.00 C +ATOM 60 CD2 LEU A 6 -3.601 1.823 -3.486 1.00 1.00 C +ATOM 61 H LEU A 6 -1.645 3.488 -0.125 1.00 1.00 H +ATOM 62 HA LEU A 6 0.024 3.189 -2.324 1.00 1.00 H +ATOM 63 HB2 LEU A 6 -0.954 1.513 -3.634 1.00 1.00 H +ATOM 64 HB3 LEU A 6 -0.636 0.796 -2.066 1.00 1.00 H +ATOM 65 HG LEU A 6 -2.749 -0.003 -2.815 1.00 1.00 H +ATOM 66 HD11 LEU A 6 -2.402 1.108 -0.382 1.00 1.00 H +ATOM 67 HD12 LEU A 6 -3.813 2.033 -0.946 1.00 1.00 H +ATOM 68 HD13 LEU A 6 -3.882 0.256 -0.882 1.00 1.00 H +ATOM 69 HD21 LEU A 6 -3.022 2.085 -4.372 1.00 1.00 H +ATOM 70 HD22 LEU A 6 -4.452 1.207 -3.778 1.00 1.00 H +ATOM 71 HD23 LEU A 6 -3.959 2.732 -3.004 1.00 1.00 H +ATOM 72 N GLU A 7 -2.964 4.237 -1.672 1.00 1.00 N +ATOM 73 CA GLU A 7 -3.968 5.235 -2.002 1.00 1.00 C +ATOM 74 C GLU A 7 -3.376 6.640 -1.883 1.00 1.00 C +ATOM 75 O GLU A 7 -3.698 7.377 -0.951 1.00 1.00 O +ATOM 76 CB GLU A 7 -5.204 5.083 -1.115 1.00 1.00 C +ATOM 77 CG GLU A 7 -6.432 4.706 -1.946 1.00 1.00 C +ATOM 78 CD GLU A 7 -6.780 3.227 -1.770 1.00 1.00 C +ATOM 79 OE1 GLU A 7 -6.050 2.410 -2.451 1.00 1.00 O +ATOM 80 OE2 GLU A 7 -7.708 2.894 -1.017 1.00 1.00 O +ATOM 81 H GLU A 7 -3.100 3.775 -0.796 1.00 1.00 H +ATOM 82 HA GLU A 7 -4.243 5.037 -3.038 1.00 1.00 H +ATOM 83 HB2 GLU A 7 -5.023 4.318 -0.360 1.00 1.00 H +ATOM 84 HB3 GLU A 7 -5.393 6.017 -0.585 1.00 1.00 H +ATOM 85 HG2 GLU A 7 -7.281 5.321 -1.647 1.00 1.00 H +ATOM 86 HG3 GLU A 7 -6.241 4.916 -2.999 1.00 1.00 H +ATOM 87 N LYS A 8 -2.522 6.972 -2.840 1.00 1.00 N +ATOM 88 CA LYS A 8 -1.883 8.278 -2.853 1.00 1.00 C +ATOM 89 C LYS A 8 -2.958 9.367 -2.850 1.00 1.00 C +ATOM 90 O LYS A 8 -3.633 9.574 -1.843 1.00 1.00 O +ATOM 91 CB LYS A 8 -0.905 8.384 -4.025 1.00 1.00 C +ATOM 92 CG LYS A 8 -0.074 9.664 -3.933 1.00 1.00 C +ATOM 93 CD LYS A 8 0.263 10.203 -5.325 1.00 1.00 C +ATOM 94 CE LYS A 8 1.776 10.323 -5.515 1.00 1.00 C +ATOM 95 NZ LYS A 8 2.223 9.500 -6.661 1.00 1.00 N +ATOM 96 H LYS A 8 -2.265 6.368 -3.594 1.00 1.00 H +ATOM 97 HA LYS A 8 -1.299 8.365 -1.937 1.00 1.00 H +ATOM 98 HB2 LYS A 8 -0.245 7.516 -4.032 1.00 1.00 H +ATOM 99 HB3 LYS A 8 -1.456 8.371 -4.965 1.00 1.00 H +ATOM 100 HG2 LYS A 8 -0.623 10.418 -3.370 1.00 1.00 H +ATOM 101 HG3 LYS A 8 0.847 9.466 -3.384 1.00 1.00 H +ATOM 102 HD2 LYS A 8 -0.150 9.538 -6.084 1.00 1.00 H +ATOM 103 HD3 LYS A 8 -0.204 11.177 -5.465 1.00 1.00 H +ATOM 104 HE2 LYS A 8 2.045 11.366 -5.682 1.00 1.00 H +ATOM 105 HE3 LYS A 8 2.290 10.003 -4.609 1.00 1.00 H +ATOM 106 HZ1 LYS A 8 1.480 8.906 -7.013 1.00 1.00 H +ATOM 107 HZ2 LYS A 8 2.526 10.104 -7.412 1.00 1.00 H +ATOM 108 HZ3 LYS A 8 2.990 8.910 -6.372 1.00 1.00 H +ATOM 109 N HIS A 9 -3.083 10.034 -3.987 1.00 1.00 N +ATOM 110 CA HIS A 9 -4.064 11.097 -4.128 1.00 1.00 C +ATOM 111 C HIS A 9 -5.472 10.499 -4.118 1.00 1.00 C +ATOM 112 O HIS A 9 -5.634 9.285 -4.021 1.00 1.00 O +ATOM 113 CB HIS A 9 -3.783 11.934 -5.377 1.00 1.00 C +ATOM 114 CG HIS A 9 -2.677 12.947 -5.203 1.00 1.00 C +ATOM 115 ND1 HIS A 9 -1.682 12.814 -4.249 1.00 1.00 N +ATOM 116 CD2 HIS A 9 -2.417 14.107 -5.870 1.00 1.00 C +ATOM 117 CE1 HIS A 9 -0.868 13.854 -4.345 1.00 1.00 C +ATOM 118 NE2 HIS A 9 -1.326 14.656 -5.350 1.00 1.00 N +ATOM 119 H HIS A 9 -2.530 9.859 -4.803 1.00 1.00 H +ATOM 120 HA HIS A 9 -3.948 11.746 -3.260 1.00 1.00 H +ATOM 121 HB2 HIS A 9 -3.524 11.266 -6.199 1.00 1.00 H +ATOM 122 HB3 HIS A 9 -4.695 12.455 -5.665 1.00 1.00 H +ATOM 123 HD1 HIS A 9 -1.595 12.060 -3.596 1.00 1.00 H +ATOM 124 HD2 HIS A 9 -3.007 14.515 -6.691 1.00 1.00 H +ATOM 125 HE1 HIS A 9 0.013 14.037 -3.730 1.00 1.00 H +ATOM 126 N SER A 10 -6.455 11.382 -4.221 1.00 1.00 N +ATOM 127 CA SER A 10 -7.844 10.958 -4.225 1.00 1.00 C +ATOM 128 C SER A 10 -8.244 10.491 -5.626 1.00 1.00 C +ATOM 129 O SER A 10 -9.411 10.583 -6.005 1.00 1.00 O +ATOM 130 CB SER A 10 -8.767 12.084 -3.758 1.00 1.00 C +ATOM 131 OG SER A 10 -8.474 12.497 -2.425 1.00 1.00 O +ATOM 132 H SER A 10 -6.315 12.368 -4.299 1.00 1.00 H +ATOM 133 HA SER A 10 -7.896 10.130 -3.517 1.00 1.00 H +ATOM 134 HB2 SER A 10 -8.667 12.938 -4.431 1.00 1.00 H +ATOM 135 HB3 SER A 10 -9.804 11.753 -3.815 1.00 1.00 H +ATOM 136 HG SER A 10 -9.165 12.137 -1.796 1.00 1.00 H +ATOM 137 N TRP A 11 -7.255 9.999 -6.356 1.00 1.00 N +ATOM 138 CA TRP A 11 -7.489 9.517 -7.707 1.00 1.00 C +ATOM 139 C TRP A 11 -6.532 8.351 -7.965 1.00 1.00 C +ATOM 140 O TRP A 11 -6.362 7.925 -9.107 1.00 1.00 O +ATOM 141 CB TRP A 11 -7.341 10.648 -8.725 1.00 1.00 C +ATOM 142 CG TRP A 11 -6.163 11.585 -8.451 1.00 1.00 C +ATOM 143 CD1 TRP A 11 -6.199 12.877 -8.099 1.00 1.00 C +ATOM 144 CD2 TRP A 11 -4.761 11.244 -8.518 1.00 1.00 C +ATOM 145 NE1 TRP A 11 -4.930 13.393 -7.937 1.00 1.00 N +ATOM 146 CE2 TRP A 11 -4.028 12.369 -8.199 1.00 1.00 C +ATOM 147 CE3 TRP A 11 -4.134 10.027 -8.837 1.00 1.00 C +ATOM 148 CZ2 TRP A 11 -2.628 12.389 -8.169 1.00 1.00 C +ATOM 149 CZ3 TRP A 11 -2.736 10.064 -8.803 1.00 1.00 C +ATOM 150 CH2 TRP A 11 -1.982 11.187 -8.484 1.00 1.00 C +ATOM 151 H TRP A 11 -6.309 9.927 -6.040 1.00 1.00 H +ATOM 152 HA TRP A 11 -8.521 9.171 -7.763 1.00 1.00 H +ATOM 153 HB2 TRP A 11 -7.223 10.216 -9.720 1.00 1.00 H +ATOM 154 HB3 TRP A 11 -8.261 11.234 -8.739 1.00 1.00 H +ATOM 155 HD1 TRP A 11 -7.117 13.449 -7.961 1.00 1.00 H +ATOM 156 HE1 TRP A 11 -4.681 14.416 -7.654 1.00 1.00 H +ATOM 157 HE3 TRP A 11 -4.691 9.125 -9.092 1.00 1.00 H +ATOM 158 HZ2 TRP A 11 -2.072 13.290 -7.914 1.00 1.00 H +ATOM 159 HZ3 TRP A 11 -2.199 9.145 -9.043 1.00 1.00 H +ATOM 160 HH2 TRP A 11 -0.894 11.133 -8.479 1.00 1.00 H +ATOM 161 N TYR A 12 -5.933 7.869 -6.887 1.00 1.00 N +ATOM 162 CA TYR A 12 -4.998 6.760 -6.983 1.00 1.00 C +ATOM 163 C TYR A 12 -5.555 5.511 -6.297 1.00 1.00 C +ATOM 164 O TYR A 12 -5.693 5.479 -5.073 1.00 1.00 O +ATOM 165 CB TYR A 12 -3.733 7.211 -6.248 1.00 1.00 C +ATOM 166 CG TYR A 12 -2.434 6.696 -6.873 1.00 1.00 C +ATOM 167 CD1 TYR A 12 -2.221 5.339 -7.000 1.00 1.00 C +ATOM 168 CD2 TYR A 12 -1.478 7.590 -7.308 1.00 1.00 C +ATOM 169 CE1 TYR A 12 -0.999 4.857 -7.588 1.00 1.00 C +ATOM 170 CE2 TYR A 12 -0.255 7.107 -7.897 1.00 1.00 C +ATOM 171 CZ TYR A 12 -0.076 5.764 -8.007 1.00 1.00 C +ATOM 172 OH TYR A 12 1.078 5.307 -8.562 1.00 1.00 O +ATOM 173 H TYR A 12 -6.078 8.221 -5.963 1.00 1.00 H +ATOM 174 HA TYR A 12 -4.839 6.545 -8.040 1.00 1.00 H +ATOM 175 HB2 TYR A 12 -3.708 8.300 -6.225 1.00 1.00 H +ATOM 176 HB3 TYR A 12 -3.786 6.871 -5.214 1.00 1.00 H +ATOM 177 HD1 TYR A 12 -2.976 4.634 -6.656 1.00 1.00 H +ATOM 178 HD2 TYR A 12 -1.648 8.662 -7.208 1.00 1.00 H +ATOM 179 HE1 TYR A 12 -0.817 3.787 -7.695 1.00 1.00 H +ATOM 180 HE2 TYR A 12 0.509 7.802 -8.245 1.00 1.00 H +ATOM 181 HH TYR A 12 1.861 5.598 -8.012 1.00 1.00 H +ATOM 182 N HIS A 13 -5.861 4.514 -7.112 1.00 1.00 N +ATOM 183 CA HIS A 13 -6.400 3.266 -6.598 1.00 1.00 C +ATOM 184 C HIS A 13 -5.372 2.147 -6.784 1.00 1.00 C +ATOM 185 O HIS A 13 -4.619 1.832 -5.864 1.00 1.00 O +ATOM 186 CB HIS A 13 -7.748 2.948 -7.250 1.00 1.00 C +ATOM 187 CG HIS A 13 -8.052 3.782 -8.469 1.00 1.00 C +ATOM 188 ND1 HIS A 13 -8.618 3.254 -9.617 1.00 1.00 N +ATOM 189 CD2 HIS A 13 -7.865 5.111 -8.710 1.00 1.00 C +ATOM 190 CE1 HIS A 13 -8.760 4.230 -10.501 1.00 1.00 C +ATOM 191 NE2 HIS A 13 -8.292 5.381 -9.937 1.00 1.00 N +ATOM 192 H HIS A 13 -5.745 4.548 -8.104 1.00 1.00 H +ATOM 193 HA HIS A 13 -6.572 3.415 -5.532 1.00 1.00 H +ATOM 194 HB2 HIS A 13 -7.764 1.894 -7.528 1.00 1.00 H +ATOM 195 HB3 HIS A 13 -8.538 3.094 -6.514 1.00 1.00 H +ATOM 196 HD1 HIS A 13 -8.876 2.298 -9.755 1.00 1.00 H +ATOM 197 HD2 HIS A 13 -7.437 5.831 -8.011 1.00 1.00 H +ATOM 198 HE1 HIS A 13 -9.177 4.132 -11.503 1.00 1.00 H +ATOM 199 N GLY A 14 -5.374 1.578 -7.981 1.00 1.00 N +ATOM 200 CA GLY A 14 -4.452 0.503 -8.300 1.00 1.00 C +ATOM 201 C GLY A 14 -4.816 -0.156 -9.633 1.00 1.00 C +ATOM 202 O GLY A 14 -5.416 0.479 -10.499 1.00 1.00 O +ATOM 203 H GLY A 14 -5.990 1.842 -8.723 1.00 1.00 H +ATOM 204 HA2 GLY A 14 -3.435 0.893 -8.350 1.00 1.00 H +ATOM 205 HA3 GLY A 14 -4.468 -0.243 -7.505 1.00 1.00 H +ATOM 206 N PRO A 15 -4.428 -1.454 -9.756 1.00 1.00 N +ATOM 207 CA PRO A 15 -4.708 -2.204 -10.970 1.00 1.00 C +ATOM 208 C PRO A 15 -6.184 -2.602 -11.039 1.00 1.00 C +ATOM 209 O PRO A 15 -6.645 -3.431 -10.257 1.00 1.00 O +ATOM 210 CB PRO A 15 -3.772 -3.400 -10.916 1.00 1.00 C +ATOM 211 CG PRO A 15 -3.339 -3.525 -9.463 1.00 1.00 C +ATOM 212 CD PRO A 15 -3.717 -2.236 -8.751 1.00 1.00 C +ATOM 213 HA PRO A 15 -4.539 -1.638 -11.776 1.00 1.00 H +ATOM 214 HB2 PRO A 15 -4.277 -4.306 -11.251 1.00 1.00 H +ATOM 215 HB3 PRO A 15 -2.913 -3.254 -11.569 1.00 1.00 H +ATOM 216 HG2 PRO A 15 -3.825 -4.379 -8.991 1.00 1.00 H +ATOM 217 HG3 PRO A 15 -2.263 -3.695 -9.400 1.00 1.00 H +ATOM 218 HD2 PRO A 15 -4.347 -2.434 -7.884 1.00 1.00 H +ATOM 219 HD3 PRO A 15 -2.833 -1.709 -8.391 1.00 1.00 H +ATOM 220 N VAL A 16 -6.884 -1.992 -11.985 1.00 1.00 N +ATOM 221 CA VAL A 16 -8.297 -2.273 -12.168 1.00 1.00 C +ATOM 222 C VAL A 16 -8.558 -2.630 -13.634 1.00 1.00 C +ATOM 223 O VAL A 16 -8.027 -1.984 -14.536 1.00 1.00 O +ATOM 224 CB VAL A 16 -9.133 -1.086 -11.684 1.00 1.00 C +ATOM 225 CG1 VAL A 16 -9.311 -0.052 -12.798 1.00 1.00 C +ATOM 226 CG2 VAL A 16 -10.488 -1.552 -11.147 1.00 1.00 C +ATOM 227 H VAL A 16 -6.500 -1.320 -12.619 1.00 1.00 H +ATOM 228 HA VAL A 16 -8.546 -3.136 -11.548 1.00 1.00 H +ATOM 229 HB VAL A 16 -8.594 -0.608 -10.866 1.00 1.00 H +ATOM 230 HG11 VAL A 16 -9.632 -0.553 -13.711 1.00 1.00 H +ATOM 231 HG12 VAL A 16 -10.064 0.677 -12.499 1.00 1.00 H +ATOM 232 HG13 VAL A 16 -8.364 0.458 -12.975 1.00 1.00 H +ATOM 233 HG21 VAL A 16 -10.776 -2.480 -11.641 1.00 1.00 H +ATOM 234 HG22 VAL A 16 -10.413 -1.722 -10.073 1.00 1.00 H +ATOM 235 HG23 VAL A 16 -11.239 -0.787 -11.342 1.00 1.00 H +ATOM 236 N SER A 17 -9.372 -3.656 -13.824 1.00 1.00 N +ATOM 237 CA SER A 17 -9.708 -4.106 -15.164 1.00 1.00 C +ATOM 238 C SER A 17 -10.358 -2.967 -15.951 1.00 1.00 C +ATOM 239 O SER A 17 -11.328 -2.366 -15.493 1.00 1.00 O +ATOM 240 CB SER A 17 -10.640 -5.320 -15.120 1.00 1.00 C +ATOM 241 OG SER A 17 -11.461 -5.403 -16.281 1.00 1.00 O +ATOM 242 H SER A 17 -9.798 -4.176 -13.084 1.00 1.00 H +ATOM 243 HA SER A 17 -8.761 -4.393 -15.618 1.00 1.00 H +ATOM 244 HB2 SER A 17 -10.047 -6.229 -15.029 1.00 1.00 H +ATOM 245 HB3 SER A 17 -11.270 -5.260 -14.232 1.00 1.00 H +ATOM 246 HG SER A 17 -12.381 -5.066 -16.075 1.00 1.00 H +ATOM 247 N ARG A 18 -9.797 -2.704 -17.122 1.00 1.00 N +ATOM 248 CA ARG A 18 -10.310 -1.648 -17.977 1.00 1.00 C +ATOM 249 C ARG A 18 -11.801 -1.859 -18.247 1.00 1.00 C +ATOM 250 O ARG A 18 -12.562 -0.897 -18.335 1.00 1.00 O +ATOM 251 CB ARG A 18 -9.559 -1.603 -19.310 1.00 1.00 C +ATOM 252 CG ARG A 18 -10.318 -2.375 -20.393 1.00 1.00 C +ATOM 253 CD ARG A 18 -9.466 -2.533 -21.653 1.00 1.00 C +ATOM 254 NE ARG A 18 -9.857 -3.763 -22.377 1.00 1.00 N +ATOM 255 CZ ARG A 18 -10.799 -3.806 -23.329 1.00 1.00 C +ATOM 256 NH1 ARG A 18 -11.452 -2.690 -23.677 1.00 1.00 N +ATOM 257 NH2 ARG A 18 -11.088 -4.967 -23.933 1.00 1.00 N +ATOM 258 H ARG A 18 -9.009 -3.199 -17.488 1.00 1.00 H +ATOM 259 HA ARG A 18 -10.139 -0.728 -17.417 1.00 1.00 H +ATOM 260 HB2 ARG A 18 -9.425 -0.569 -19.622 1.00 1.00 H +ATOM 261 HB3 ARG A 18 -8.564 -2.030 -19.186 1.00 1.00 H +ATOM 262 HG2 ARG A 18 -10.600 -3.358 -20.014 1.00 1.00 H +ATOM 263 HG3 ARG A 18 -11.242 -1.851 -20.638 1.00 1.00 H +ATOM 264 HD2 ARG A 18 -9.591 -1.664 -22.299 1.00 1.00 H +ATOM 265 HD3 ARG A 18 -8.410 -2.580 -21.384 1.00 1.00 H +ATOM 266 HE ARG A 18 -9.388 -4.615 -22.142 1.00 1.00 H +ATOM 267 HH11 ARG A 18 -11.237 -1.823 -23.226 1.00 1.00 H +ATOM 268 HH12 ARG A 18 -12.156 -2.722 -24.388 1.00 1.00 H +ATOM 269 HH21 ARG A 18 -10.601 -5.802 -23.674 1.00 1.00 H +ATOM 270 HH22 ARG A 18 -11.790 -5.000 -24.642 1.00 1.00 H +ATOM 271 N ASN A 19 -12.175 -3.125 -18.371 1.00 1.00 N +ATOM 272 CA ASN A 19 -13.561 -3.474 -18.627 1.00 1.00 C +ATOM 273 C ASN A 19 -14.464 -2.700 -17.666 1.00 1.00 C +ATOM 274 O ASN A 19 -15.408 -2.036 -18.094 1.00 1.00 O +ATOM 275 CB ASN A 19 -13.802 -4.967 -18.405 1.00 1.00 C +ATOM 276 CG ASN A 19 -14.159 -5.669 -19.717 1.00 1.00 C +ATOM 277 OD1 ASN A 19 -15.300 -6.015 -19.976 1.00 1.00 O +ATOM 278 ND2 ASN A 19 -13.122 -5.858 -20.529 1.00 1.00 N +ATOM 279 H ASN A 19 -11.549 -3.901 -18.297 1.00 1.00 H +ATOM 280 HA ASN A 19 -13.734 -3.208 -19.671 1.00 1.00 H +ATOM 281 HB2 ASN A 19 -12.910 -5.425 -17.975 1.00 1.00 H +ATOM 282 HB3 ASN A 19 -14.608 -5.106 -17.684 1.00 1.00 H +ATOM 283 HD21 ASN A 19 -12.212 -5.551 -20.255 1.00 1.00 H +ATOM 284 HD22 ASN A 19 -13.254 -6.309 -21.412 1.00 1.00 H +ATOM 285 N ALA A 20 -14.145 -2.811 -16.386 1.00 1.00 N +ATOM 286 CA ALA A 20 -14.917 -2.130 -15.360 1.00 1.00 C +ATOM 287 C ALA A 20 -14.692 -0.621 -15.478 1.00 1.00 C +ATOM 288 O ALA A 20 -15.636 0.161 -15.366 1.00 1.00 O +ATOM 289 CB ALA A 20 -14.527 -2.672 -13.983 1.00 1.00 C +ATOM 290 H ALA A 20 -13.376 -3.354 -16.046 1.00 1.00 H +ATOM 291 HA ALA A 20 -15.970 -2.348 -15.538 1.00 1.00 H +ATOM 292 HB1 ALA A 20 -13.661 -3.326 -14.083 1.00 1.00 H +ATOM 293 HB2 ALA A 20 -14.281 -1.841 -13.322 1.00 1.00 H +ATOM 294 HB3 ALA A 20 -15.362 -3.234 -13.566 1.00 1.00 H +ATOM 295 N ALA A 21 -13.438 -0.257 -15.700 1.00 1.00 N +ATOM 296 CA ALA A 21 -13.078 1.144 -15.835 1.00 1.00 C +ATOM 297 C ALA A 21 -14.111 1.850 -16.717 1.00 1.00 C +ATOM 298 O ALA A 21 -14.720 2.832 -16.300 1.00 1.00 O +ATOM 299 CB ALA A 21 -11.659 1.256 -16.395 1.00 1.00 C +ATOM 300 H ALA A 21 -12.677 -0.900 -15.790 1.00 1.00 H +ATOM 301 HA ALA A 21 -13.099 1.589 -14.839 1.00 1.00 H +ATOM 302 HB1 ALA A 21 -11.602 0.732 -17.348 1.00 1.00 H +ATOM 303 HB2 ALA A 21 -11.408 2.306 -16.540 1.00 1.00 H +ATOM 304 HB3 ALA A 21 -10.956 0.808 -15.692 1.00 1.00 H +ATOM 305 N GLU A 22 -14.273 1.321 -17.920 1.00 1.00 N +ATOM 306 CA GLU A 22 -15.219 1.887 -18.865 1.00 1.00 C +ATOM 307 C GLU A 22 -16.641 1.808 -18.304 1.00 1.00 C +ATOM 308 O GLU A 22 -17.448 2.710 -18.520 1.00 1.00 O +ATOM 309 CB GLU A 22 -15.126 1.185 -20.222 1.00 1.00 C +ATOM 310 CG GLU A 22 -14.016 0.133 -20.221 1.00 1.00 C +ATOM 311 CD GLU A 22 -13.835 -0.476 -21.613 1.00 1.00 C +ATOM 312 OE1 GLU A 22 -14.100 0.257 -22.591 1.00 1.00 O +ATOM 313 OE2 GLU A 22 -13.433 -1.657 -21.668 1.00 1.00 O +ATOM 314 H GLU A 22 -13.772 0.520 -18.252 1.00 1.00 H +ATOM 315 HA GLU A 22 -14.925 2.929 -18.982 1.00 1.00 H +ATOM 316 HB2 GLU A 22 -16.081 0.713 -20.458 1.00 1.00 H +ATOM 317 HB3 GLU A 22 -14.933 1.922 -21.003 1.00 1.00 H +ATOM 318 HG2 GLU A 22 -13.081 0.585 -19.892 1.00 1.00 H +ATOM 319 HG3 GLU A 22 -14.258 -0.653 -19.505 1.00 1.00 H +ATOM 320 N TYR A 23 -16.903 0.721 -17.595 1.00 1.00 N +ATOM 321 CA TYR A 23 -18.213 0.512 -17.001 1.00 1.00 C +ATOM 322 C TYR A 23 -18.461 1.501 -15.860 1.00 1.00 C +ATOM 323 O TYR A 23 -19.324 2.371 -15.966 1.00 1.00 O +ATOM 324 CB TYR A 23 -18.198 -0.910 -16.435 1.00 1.00 C +ATOM 325 CG TYR A 23 -19.524 -1.343 -15.807 1.00 1.00 C +ATOM 326 CD1 TYR A 23 -20.609 -1.625 -16.611 1.00 1.00 C +ATOM 327 CD2 TYR A 23 -19.634 -1.454 -14.436 1.00 1.00 C +ATOM 328 CE1 TYR A 23 -21.857 -2.033 -16.020 1.00 1.00 C +ATOM 329 CE2 TYR A 23 -20.882 -1.861 -13.844 1.00 1.00 C +ATOM 330 CZ TYR A 23 -21.932 -2.131 -14.666 1.00 1.00 C +ATOM 331 OH TYR A 23 -23.111 -2.517 -14.108 1.00 1.00 O +ATOM 332 H TYR A 23 -16.240 -0.009 -17.424 1.00 1.00 H +ATOM 333 HA TYR A 23 -18.963 0.667 -17.777 1.00 1.00 H +ATOM 334 HB2 TYR A 23 -17.942 -1.605 -17.234 1.00 1.00 H +ATOM 335 HB3 TYR A 23 -17.411 -0.982 -15.684 1.00 1.00 H +ATOM 336 HD1 TYR A 23 -20.522 -1.538 -17.695 1.00 1.00 H +ATOM 337 HD2 TYR A 23 -18.777 -1.231 -13.801 1.00 1.00 H +ATOM 338 HE1 TYR A 23 -22.722 -2.258 -16.644 1.00 1.00 H +ATOM 339 HE2 TYR A 23 -20.984 -1.951 -12.763 1.00 1.00 H +ATOM 340 HH TYR A 23 -23.126 -3.509 -13.989 1.00 1.00 H +ATOM 341 N LEU A 24 -17.691 1.331 -14.796 1.00 1.00 N +ATOM 342 CA LEU A 24 -17.816 2.197 -13.637 1.00 1.00 C +ATOM 343 C LEU A 24 -17.951 3.649 -14.100 1.00 1.00 C +ATOM 344 O LEU A 24 -18.619 4.453 -13.454 1.00 1.00 O +ATOM 345 CB LEU A 24 -16.655 1.967 -12.667 1.00 1.00 C +ATOM 346 CG LEU A 24 -15.256 2.253 -13.217 1.00 1.00 C +ATOM 347 CD1 LEU A 24 -14.858 3.710 -12.976 1.00 1.00 C +ATOM 348 CD2 LEU A 24 -14.230 1.276 -12.639 1.00 1.00 C +ATOM 349 H LEU A 24 -16.991 0.621 -14.718 1.00 1.00 H +ATOM 350 HA LEU A 24 -18.731 1.915 -13.115 1.00 1.00 H +ATOM 351 HB2 LEU A 24 -16.813 2.593 -11.788 1.00 1.00 H +ATOM 352 HB3 LEU A 24 -16.687 0.932 -12.332 1.00 1.00 H +ATOM 353 HG LEU A 24 -15.275 2.099 -14.297 1.00 1.00 H +ATOM 354 HD11 LEU A 24 -15.487 4.134 -12.192 1.00 1.00 H +ATOM 355 HD12 LEU A 24 -13.813 3.757 -12.669 1.00 1.00 H +ATOM 356 HD13 LEU A 24 -14.992 4.280 -13.897 1.00 1.00 H +ATOM 357 HD21 LEU A 24 -14.622 0.837 -11.722 1.00 1.00 H +ATOM 358 HD22 LEU A 24 -14.031 0.487 -13.364 1.00 1.00 H +ATOM 359 HD23 LEU A 24 -13.305 1.809 -12.420 1.00 1.00 H +ATOM 360 N LEU A 25 -17.304 3.940 -15.220 1.00 1.00 N +ATOM 361 CA LEU A 25 -17.343 5.281 -15.780 1.00 1.00 C +ATOM 362 C LEU A 25 -18.800 5.728 -15.921 1.00 1.00 C +ATOM 363 O LEU A 25 -19.283 6.539 -15.132 1.00 1.00 O +ATOM 364 CB LEU A 25 -16.553 5.338 -17.089 1.00 1.00 C +ATOM 365 CG LEU A 25 -15.757 6.622 -17.336 1.00 1.00 C +ATOM 366 CD1 LEU A 25 -16.246 7.754 -16.431 1.00 1.00 C +ATOM 367 CD2 LEU A 25 -14.256 6.373 -17.183 1.00 1.00 C +ATOM 368 H LEU A 25 -16.762 3.281 -15.742 1.00 1.00 H +ATOM 369 HA LEU A 25 -16.845 5.945 -15.073 1.00 1.00 H +ATOM 370 HB2 LEU A 25 -15.862 4.496 -17.111 1.00 1.00 H +ATOM 371 HB3 LEU A 25 -17.249 5.200 -17.916 1.00 1.00 H +ATOM 372 HG LEU A 25 -15.928 6.936 -18.365 1.00 1.00 H +ATOM 373 HD11 LEU A 25 -17.302 7.604 -16.200 1.00 1.00 H +ATOM 374 HD12 LEU A 25 -15.670 7.755 -15.507 1.00 1.00 H +ATOM 375 HD13 LEU A 25 -16.119 8.709 -16.941 1.00 1.00 H +ATOM 376 HD21 LEU A 25 -14.079 5.734 -16.317 1.00 1.00 H +ATOM 377 HD22 LEU A 25 -13.875 5.884 -18.079 1.00 1.00 H +ATOM 378 HD23 LEU A 25 -13.742 7.326 -17.041 1.00 1.00 H +ATOM 379 N SER A 26 -19.459 5.179 -16.930 1.00 1.00 N +ATOM 380 CA SER A 26 -20.850 5.512 -17.186 1.00 1.00 C +ATOM 381 C SER A 26 -21.151 6.926 -16.686 1.00 1.00 C +ATOM 382 O SER A 26 -21.906 7.103 -15.731 1.00 1.00 O +ATOM 383 CB SER A 26 -21.787 4.503 -16.518 1.00 1.00 C +ATOM 384 OG SER A 26 -21.995 3.348 -17.328 1.00 1.00 O +ATOM 385 H SER A 26 -19.059 4.520 -17.566 1.00 1.00 H +ATOM 386 HA SER A 26 -20.967 5.454 -18.266 1.00 1.00 H +ATOM 387 HB2 SER A 26 -21.371 4.200 -15.557 1.00 1.00 H +ATOM 388 HB3 SER A 26 -22.746 4.979 -16.314 1.00 1.00 H +ATOM 389 HG SER A 26 -22.965 3.261 -17.556 1.00 1.00 H +ATOM 390 N SER A 27 -20.543 7.895 -17.353 1.00 1.00 N +ATOM 391 CA SER A 27 -20.735 9.289 -16.987 1.00 1.00 C +ATOM 392 C SER A 27 -19.935 10.190 -17.929 1.00 1.00 C +ATOM 393 O SER A 27 -18.750 9.957 -18.160 1.00 1.00 O +ATOM 394 CB SER A 27 -20.326 9.539 -15.535 1.00 1.00 C +ATOM 395 OG SER A 27 -18.912 9.633 -15.387 1.00 1.00 O +ATOM 396 H SER A 27 -19.929 7.743 -18.127 1.00 1.00 H +ATOM 397 HA SER A 27 -21.804 9.471 -17.100 1.00 1.00 H +ATOM 398 HB2 SER A 27 -20.788 10.462 -15.182 1.00 1.00 H +ATOM 399 HB3 SER A 27 -20.704 8.734 -14.907 1.00 1.00 H +ATOM 400 HG SER A 27 -18.460 9.349 -16.234 1.00 1.00 H +ATOM 401 N GLY A 28 -20.615 11.205 -18.445 1.00 1.00 N +ATOM 402 CA GLY A 28 -19.982 12.143 -19.356 1.00 1.00 C +ATOM 403 C GLY A 28 -19.944 13.550 -18.754 1.00 1.00 C +ATOM 404 O GLY A 28 -20.988 14.149 -18.501 1.00 1.00 O +ATOM 405 H GLY A 28 -21.578 11.389 -18.252 1.00 1.00 H +ATOM 406 HA2 GLY A 28 -18.966 11.811 -19.578 1.00 1.00 H +ATOM 407 HA3 GLY A 28 -20.525 12.163 -20.300 1.00 1.00 H +ATOM 408 N ILE A 29 -18.729 14.035 -18.542 1.00 1.00 N +ATOM 409 CA ILE A 29 -18.542 15.359 -17.974 1.00 1.00 C +ATOM 410 C ILE A 29 -17.587 16.160 -18.864 1.00 1.00 C +ATOM 411 O ILE A 29 -17.323 15.775 -20.001 1.00 1.00 O +ATOM 412 CB ILE A 29 -18.084 15.258 -16.518 1.00 1.00 C +ATOM 413 CG1 ILE A 29 -17.621 13.839 -16.185 1.00 1.00 C +ATOM 414 CG2 ILE A 29 -19.179 15.744 -15.565 1.00 1.00 C +ATOM 415 CD1 ILE A 29 -16.712 13.831 -14.955 1.00 1.00 C +ATOM 416 H ILE A 29 -17.885 13.540 -18.750 1.00 1.00 H +ATOM 417 HA ILE A 29 -19.512 15.856 -17.974 1.00 1.00 H +ATOM 418 HB ILE A 29 -17.226 15.917 -16.383 1.00 1.00 H +ATOM 419 HG12 ILE A 29 -18.489 13.204 -16.004 1.00 1.00 H +ATOM 420 HG13 ILE A 29 -17.089 13.417 -17.037 1.00 1.00 H +ATOM 421 HG21 ILE A 29 -19.538 16.719 -15.892 1.00 1.00 H +ATOM 422 HG22 ILE A 29 -20.004 15.032 -15.567 1.00 1.00 H +ATOM 423 HG23 ILE A 29 -18.772 15.825 -14.556 1.00 1.00 H +ATOM 424 HD11 ILE A 29 -15.984 14.638 -15.037 1.00 1.00 H +ATOM 425 HD12 ILE A 29 -17.314 13.976 -14.057 1.00 1.00 H +ATOM 426 HD13 ILE A 29 -16.191 12.877 -14.892 1.00 1.00 H +ATOM 427 N ASN A 30 -17.097 17.260 -18.312 1.00 1.00 N +ATOM 428 CA ASN A 30 -16.180 18.118 -19.040 1.00 1.00 C +ATOM 429 C ASN A 30 -14.813 17.437 -19.130 1.00 1.00 C +ATOM 430 O ASN A 30 -13.907 17.940 -19.793 1.00 1.00 O +ATOM 431 CB ASN A 30 -15.994 19.458 -18.327 1.00 1.00 C +ATOM 432 CG ASN A 30 -16.858 20.546 -18.969 1.00 1.00 C +ATOM 433 OD1 ASN A 30 -17.449 20.365 -20.020 1.00 1.00 O +ATOM 434 ND2 ASN A 30 -16.897 21.683 -18.280 1.00 1.00 N +ATOM 435 H ASN A 30 -17.318 17.567 -17.386 1.00 1.00 H +ATOM 436 HA ASN A 30 -16.638 18.263 -20.018 1.00 1.00 H +ATOM 437 HB2 ASN A 30 -16.258 19.354 -17.275 1.00 1.00 H +ATOM 438 HB3 ASN A 30 -14.944 19.753 -18.365 1.00 1.00 H +ATOM 439 HD21 ASN A 30 -16.388 21.766 -17.422 1.00 1.00 H +ATOM 440 HD22 ASN A 30 -17.435 22.454 -18.617 1.00 1.00 H +ATOM 441 N GLY A 31 -14.707 16.303 -18.453 1.00 1.00 N +ATOM 442 CA GLY A 31 -13.466 15.547 -18.447 1.00 1.00 C +ATOM 443 C GLY A 31 -13.404 14.603 -17.244 1.00 1.00 C +ATOM 444 O GLY A 31 -13.463 15.048 -16.098 1.00 1.00 O +ATOM 445 H GLY A 31 -15.449 15.902 -17.915 1.00 1.00 H +ATOM 446 HA2 GLY A 31 -13.382 14.972 -19.369 1.00 1.00 H +ATOM 447 HA3 GLY A 31 -12.619 16.233 -18.419 1.00 1.00 H +ATOM 448 N SER A 32 -13.288 13.319 -17.546 1.00 1.00 N +ATOM 449 CA SER A 32 -13.217 12.309 -16.504 1.00 1.00 C +ATOM 450 C SER A 32 -12.008 11.399 -16.737 1.00 1.00 C +ATOM 451 O SER A 32 -11.690 11.063 -17.876 1.00 1.00 O +ATOM 452 CB SER A 32 -14.502 11.480 -16.453 1.00 1.00 C +ATOM 453 OG SER A 32 -14.416 10.309 -17.262 1.00 1.00 O +ATOM 454 H SER A 32 -13.240 12.966 -18.481 1.00 1.00 H +ATOM 455 HA SER A 32 -13.105 12.863 -15.573 1.00 1.00 H +ATOM 456 HB2 SER A 32 -14.708 11.193 -15.421 1.00 1.00 H +ATOM 457 HB3 SER A 32 -15.341 12.090 -16.787 1.00 1.00 H +ATOM 458 HG SER A 32 -14.218 9.514 -16.691 1.00 1.00 H +ATOM 459 N PHE A 33 -11.367 11.028 -15.639 1.00 1.00 N +ATOM 460 CA PHE A 33 -10.201 10.165 -15.709 1.00 1.00 C +ATOM 461 C PHE A 33 -9.954 9.467 -14.370 1.00 1.00 C +ATOM 462 O PHE A 33 -10.481 9.887 -13.341 1.00 1.00 O +ATOM 463 CB PHE A 33 -9.002 11.058 -16.033 1.00 1.00 C +ATOM 464 CG PHE A 33 -9.337 12.550 -16.093 1.00 1.00 C +ATOM 465 CD1 PHE A 33 -10.302 13.064 -15.285 1.00 1.00 C +ATOM 466 CD2 PHE A 33 -8.667 13.363 -16.954 1.00 1.00 C +ATOM 467 CE1 PHE A 33 -10.612 14.448 -15.340 1.00 1.00 C +ATOM 468 CE2 PHE A 33 -8.976 14.747 -17.008 1.00 1.00 C +ATOM 469 CZ PHE A 33 -9.943 15.261 -16.201 1.00 1.00 C +ATOM 470 H PHE A 33 -11.633 11.306 -14.715 1.00 1.00 H +ATOM 471 HA PHE A 33 -10.398 9.415 -16.476 1.00 1.00 H +ATOM 472 HB2 PHE A 33 -8.229 10.899 -15.281 1.00 1.00 H +ATOM 473 HB3 PHE A 33 -8.582 10.752 -16.992 1.00 1.00 H +ATOM 474 HD1 PHE A 33 -10.838 12.412 -14.595 1.00 1.00 H +ATOM 475 HD2 PHE A 33 -7.893 12.952 -17.601 1.00 1.00 H +ATOM 476 HE1 PHE A 33 -11.385 14.859 -14.692 1.00 1.00 H +ATOM 477 HE2 PHE A 33 -8.440 15.399 -17.698 1.00 1.00 H +ATOM 478 HZ PHE A 33 -10.180 16.324 -16.242 1.00 1.00 H +ATOM 479 N LEU A 34 -9.152 8.412 -14.427 1.00 1.00 N +ATOM 480 CA LEU A 34 -8.829 7.653 -13.232 1.00 1.00 C +ATOM 481 C LEU A 34 -7.476 6.966 -13.420 1.00 1.00 C +ATOM 482 O LEU A 34 -7.301 6.171 -14.343 1.00 1.00 O +ATOM 483 CB LEU A 34 -9.966 6.688 -12.887 1.00 1.00 C +ATOM 484 CG LEU A 34 -10.674 6.033 -14.074 1.00 1.00 C +ATOM 485 CD1 LEU A 34 -11.405 4.761 -13.643 1.00 1.00 C +ATOM 486 CD2 LEU A 34 -11.609 7.025 -14.770 1.00 1.00 C +ATOM 487 H LEU A 34 -8.727 8.078 -15.269 1.00 1.00 H +ATOM 488 HA LEU A 34 -8.745 8.361 -12.408 1.00 1.00 H +ATOM 489 HB2 LEU A 34 -9.566 5.901 -12.248 1.00 1.00 H +ATOM 490 HB3 LEU A 34 -10.709 7.229 -12.299 1.00 1.00 H +ATOM 491 HG LEU A 34 -9.917 5.738 -14.802 1.00 1.00 H +ATOM 492 HD11 LEU A 34 -11.019 4.429 -12.680 1.00 1.00 H +ATOM 493 HD12 LEU A 34 -12.472 4.967 -13.555 1.00 1.00 H +ATOM 494 HD13 LEU A 34 -11.247 3.981 -14.387 1.00 1.00 H +ATOM 495 HD21 LEU A 34 -12.056 7.685 -14.027 1.00 1.00 H +ATOM 496 HD22 LEU A 34 -11.041 7.617 -15.488 1.00 1.00 H +ATOM 497 HD23 LEU A 34 -12.395 6.478 -15.291 1.00 1.00 H +ATOM 498 N VAL A 35 -6.550 7.296 -12.531 1.00 1.00 N +ATOM 499 CA VAL A 35 -5.218 6.720 -12.588 1.00 1.00 C +ATOM 500 C VAL A 35 -5.287 5.245 -12.187 1.00 1.00 C +ATOM 501 O VAL A 35 -6.132 4.853 -11.385 1.00 1.00 O +ATOM 502 CB VAL A 35 -4.259 7.531 -11.714 1.00 1.00 C +ATOM 503 CG1 VAL A 35 -3.029 6.704 -11.335 1.00 1.00 C +ATOM 504 CG2 VAL A 35 -3.853 8.833 -12.409 1.00 1.00 C +ATOM 505 H VAL A 35 -6.700 7.942 -11.783 1.00 1.00 H +ATOM 506 HA VAL A 35 -4.875 6.788 -13.620 1.00 1.00 H +ATOM 507 HB VAL A 35 -4.784 7.793 -10.794 1.00 1.00 H +ATOM 508 HG11 VAL A 35 -3.342 5.704 -11.035 1.00 1.00 H +ATOM 509 HG12 VAL A 35 -2.361 6.634 -12.194 1.00 1.00 H +ATOM 510 HG13 VAL A 35 -2.509 7.187 -10.508 1.00 1.00 H +ATOM 511 HG21 VAL A 35 -4.215 8.823 -13.437 1.00 1.00 H +ATOM 512 HG22 VAL A 35 -4.290 9.679 -11.879 1.00 1.00 H +ATOM 513 HG23 VAL A 35 -2.768 8.922 -12.405 1.00 1.00 H +ATOM 514 N ARG A 36 -4.386 4.464 -12.768 1.00 1.00 N +ATOM 515 CA ARG A 36 -4.335 3.040 -12.482 1.00 1.00 C +ATOM 516 C ARG A 36 -2.910 2.625 -12.111 1.00 1.00 C +ATOM 517 O ARG A 36 -2.034 3.473 -11.951 1.00 1.00 O +ATOM 518 CB ARG A 36 -4.801 2.220 -13.686 1.00 1.00 C +ATOM 519 CG ARG A 36 -6.217 1.682 -13.467 1.00 1.00 C +ATOM 520 CD ARG A 36 -6.605 0.697 -14.572 1.00 1.00 C +ATOM 521 NE ARG A 36 -7.696 1.265 -15.396 1.00 1.00 N +ATOM 522 CZ ARG A 36 -8.143 0.716 -16.533 1.00 1.00 C +ATOM 523 NH1 ARG A 36 -7.595 -0.419 -16.989 1.00 1.00 N +ATOM 524 NH2 ARG A 36 -9.137 1.302 -17.215 1.00 1.00 N +ATOM 525 H ARG A 36 -3.703 4.789 -13.421 1.00 1.00 H +ATOM 526 HA ARG A 36 -5.014 2.900 -11.642 1.00 1.00 H +ATOM 527 HB2 ARG A 36 -4.778 2.838 -14.584 1.00 1.00 H +ATOM 528 HB3 ARG A 36 -4.115 1.389 -13.853 1.00 1.00 H +ATOM 529 HG2 ARG A 36 -6.276 1.188 -12.497 1.00 1.00 H +ATOM 530 HG3 ARG A 36 -6.925 2.509 -13.448 1.00 1.00 H +ATOM 531 HD2 ARG A 36 -5.740 0.481 -15.198 1.00 1.00 H +ATOM 532 HD3 ARG A 36 -6.925 -0.248 -14.132 1.00 1.00 H +ATOM 533 HE ARG A 36 -8.126 2.112 -15.084 1.00 1.00 H +ATOM 534 HH11 ARG A 36 -6.853 -0.856 -16.480 1.00 1.00 H +ATOM 535 HH12 ARG A 36 -7.928 -0.829 -17.839 1.00 1.00 H +ATOM 536 HH21 ARG A 36 -9.546 2.148 -16.875 1.00 1.00 H +ATOM 537 HH22 ARG A 36 -9.470 0.891 -18.064 1.00 1.00 H +ATOM 538 N GLU A 37 -2.722 1.320 -11.987 1.00 1.00 N +ATOM 539 CA GLU A 37 -1.417 0.781 -11.639 1.00 1.00 C +ATOM 540 C GLU A 37 -1.113 -0.458 -12.482 1.00 1.00 C +ATOM 541 O GLU A 37 -1.859 -1.436 -12.449 1.00 1.00 O +ATOM 542 CB GLU A 37 -1.336 0.462 -10.145 1.00 1.00 C +ATOM 543 CG GLU A 37 -0.206 -0.526 -9.855 1.00 1.00 C +ATOM 544 CD GLU A 37 0.484 -0.196 -8.530 1.00 1.00 C +ATOM 545 OE1 GLU A 37 0.970 0.949 -8.411 1.00 1.00 O +ATOM 546 OE2 GLU A 37 0.509 -1.098 -7.663 1.00 1.00 O +ATOM 547 H GLU A 37 -3.439 0.636 -12.120 1.00 1.00 H +ATOM 548 HA GLU A 37 -0.706 1.572 -11.874 1.00 1.00 H +ATOM 549 HB2 GLU A 37 -1.175 1.381 -9.582 1.00 1.00 H +ATOM 550 HB3 GLU A 37 -2.285 0.044 -9.808 1.00 1.00 H +ATOM 551 HG2 GLU A 37 -0.604 -1.539 -9.820 1.00 1.00 H +ATOM 552 HG3 GLU A 37 0.523 -0.497 -10.666 1.00 1.00 H +ATOM 553 N SER A 38 -0.013 -0.381 -13.217 1.00 1.00 N +ATOM 554 CA SER A 38 0.399 -1.484 -14.068 1.00 1.00 C +ATOM 555 C SER A 38 0.934 -2.633 -13.210 1.00 1.00 C +ATOM 556 O SER A 38 1.372 -2.418 -12.080 1.00 1.00 O +ATOM 557 CB SER A 38 1.459 -1.036 -15.076 1.00 1.00 C +ATOM 558 OG SER A 38 1.252 -1.616 -16.361 1.00 1.00 O +ATOM 559 H SER A 38 0.590 0.418 -13.238 1.00 1.00 H +ATOM 560 HA SER A 38 -0.501 -1.791 -14.600 1.00 1.00 H +ATOM 561 HB2 SER A 38 1.443 0.050 -15.161 1.00 1.00 H +ATOM 562 HB3 SER A 38 2.448 -1.313 -14.710 1.00 1.00 H +ATOM 563 HG SER A 38 1.006 -2.580 -16.266 1.00 1.00 H +ATOM 564 N GLU A 39 0.880 -3.829 -13.778 1.00 1.00 N +ATOM 565 CA GLU A 39 1.354 -5.012 -13.081 1.00 1.00 C +ATOM 566 C GLU A 39 2.756 -5.389 -13.566 1.00 1.00 C +ATOM 567 O GLU A 39 3.191 -4.938 -14.623 1.00 1.00 O +ATOM 568 CB GLU A 39 0.381 -6.178 -13.258 1.00 1.00 C +ATOM 569 CG GLU A 39 -0.841 -6.014 -12.351 1.00 1.00 C +ATOM 570 CD GLU A 39 -2.121 -6.439 -13.075 1.00 1.00 C +ATOM 571 OE1 GLU A 39 -2.219 -7.643 -13.392 1.00 1.00 O +ATOM 572 OE2 GLU A 39 -2.972 -5.550 -13.291 1.00 1.00 O +ATOM 573 H GLU A 39 0.522 -3.995 -14.697 1.00 1.00 H +ATOM 574 HA GLU A 39 1.390 -4.732 -12.027 1.00 1.00 H +ATOM 575 HB2 GLU A 39 0.061 -6.237 -14.296 1.00 1.00 H +ATOM 576 HB3 GLU A 39 0.886 -7.117 -13.025 1.00 1.00 H +ATOM 577 HG2 GLU A 39 -0.713 -6.613 -11.450 1.00 1.00 H +ATOM 578 HG3 GLU A 39 -0.927 -4.975 -12.033 1.00 1.00 H +ATOM 579 N SER A 40 3.422 -6.210 -12.767 1.00 1.00 N +ATOM 580 CA SER A 40 4.765 -6.653 -13.103 1.00 1.00 C +ATOM 581 C SER A 40 5.769 -5.531 -12.828 1.00 1.00 C +ATOM 582 O SER A 40 6.854 -5.780 -12.306 1.00 1.00 O +ATOM 583 CB SER A 40 4.850 -7.096 -14.564 1.00 1.00 C +ATOM 584 OG SER A 40 3.830 -8.034 -14.899 1.00 1.00 O +ATOM 585 H SER A 40 3.060 -6.572 -11.908 1.00 1.00 H +ATOM 586 HA SER A 40 4.957 -7.507 -12.453 1.00 1.00 H +ATOM 587 HB2 SER A 40 4.767 -6.225 -15.213 1.00 1.00 H +ATOM 588 HB3 SER A 40 5.827 -7.542 -14.752 1.00 1.00 H +ATOM 589 HG SER A 40 3.296 -8.263 -14.085 1.00 1.00 H +ATOM 590 N SER A 41 5.370 -4.322 -13.193 1.00 1.00 N +ATOM 591 CA SER A 41 6.222 -3.161 -12.993 1.00 1.00 C +ATOM 592 C SER A 41 5.596 -2.226 -11.956 1.00 1.00 C +ATOM 593 O SER A 41 4.817 -1.340 -12.305 1.00 1.00 O +ATOM 594 CB SER A 41 6.456 -2.417 -14.309 1.00 1.00 C +ATOM 595 OG SER A 41 5.241 -2.190 -15.017 1.00 1.00 O +ATOM 596 H SER A 41 4.486 -4.129 -13.617 1.00 1.00 H +ATOM 597 HA SER A 41 7.170 -3.559 -12.627 1.00 1.00 H +ATOM 598 HB2 SER A 41 6.939 -1.461 -14.103 1.00 1.00 H +ATOM 599 HB3 SER A 41 7.139 -2.991 -14.935 1.00 1.00 H +ATOM 600 HG SER A 41 5.019 -2.986 -15.582 1.00 1.00 H +ATOM 601 N PRO A 42 5.971 -2.460 -10.671 1.00 1.00 N +ATOM 602 CA PRO A 42 5.455 -1.649 -9.581 1.00 1.00 C +ATOM 603 C PRO A 42 6.120 -0.271 -9.561 1.00 1.00 C +ATOM 604 O PRO A 42 6.533 0.207 -8.505 1.00 1.00 O +ATOM 605 CB PRO A 42 5.727 -2.458 -8.324 1.00 1.00 C +ATOM 606 CG PRO A 42 6.794 -3.472 -8.704 1.00 1.00 C +ATOM 607 CD PRO A 42 6.892 -3.500 -10.221 1.00 1.00 C +ATOM 608 HA PRO A 42 4.477 -1.478 -9.708 1.00 1.00 H +ATOM 609 HB2 PRO A 42 6.069 -1.817 -7.512 1.00 1.00 H +ATOM 610 HB3 PRO A 42 4.821 -2.956 -7.977 1.00 1.00 H +ATOM 611 HG2 PRO A 42 7.753 -3.200 -8.264 1.00 1.00 H +ATOM 612 HG3 PRO A 42 6.537 -4.460 -8.320 1.00 1.00 H +ATOM 613 HD2 PRO A 42 7.910 -3.300 -10.556 1.00 1.00 H +ATOM 614 HD3 PRO A 42 6.611 -4.475 -10.618 1.00 1.00 H +ATOM 615 N GLY A 43 6.206 0.327 -10.739 1.00 1.00 N +ATOM 616 CA GLY A 43 6.814 1.640 -10.870 1.00 1.00 C +ATOM 617 C GLY A 43 6.065 2.492 -11.896 1.00 1.00 C +ATOM 618 O GLY A 43 5.993 3.713 -11.759 1.00 1.00 O +ATOM 619 H GLY A 43 5.868 -0.068 -11.594 1.00 1.00 H +ATOM 620 HA2 GLY A 43 6.814 2.142 -9.904 1.00 1.00 H +ATOM 621 HA3 GLY A 43 7.857 1.533 -11.173 1.00 1.00 H +ATOM 622 N GLN A 44 5.526 1.816 -12.899 1.00 1.00 N +ATOM 623 CA GLN A 44 4.784 2.496 -13.947 1.00 1.00 C +ATOM 624 C GLN A 44 3.280 2.314 -13.737 1.00 1.00 C +ATOM 625 O GLN A 44 2.812 1.201 -13.503 1.00 1.00 O +ATOM 626 CB GLN A 44 5.209 1.999 -15.331 1.00 1.00 C +ATOM 627 CG GLN A 44 5.680 0.544 -15.270 1.00 1.00 C +ATOM 628 CD GLN A 44 6.002 0.013 -16.669 1.00 1.00 C +ATOM 629 OE1 GLN A 44 7.104 -0.424 -16.956 1.00 1.00 O +ATOM 630 NE2 GLN A 44 4.981 0.074 -17.518 1.00 1.00 N +ATOM 631 H GLN A 44 5.589 0.823 -13.003 1.00 1.00 H +ATOM 632 HA GLN A 44 5.046 3.549 -13.851 1.00 1.00 H +ATOM 633 HB2 GLN A 44 4.373 2.085 -16.025 1.00 1.00 H +ATOM 634 HB3 GLN A 44 6.010 2.628 -15.718 1.00 1.00 H +ATOM 635 HG2 GLN A 44 6.564 0.472 -14.637 1.00 1.00 H +ATOM 636 HG3 GLN A 44 4.909 -0.073 -14.811 1.00 1.00 H +ATOM 637 HE21 GLN A 44 4.102 0.444 -17.218 1.00 1.00 H +ATOM 638 HE22 GLN A 44 5.092 -0.249 -18.457 1.00 1.00 H +ATOM 639 N ARG A 45 2.563 3.425 -13.828 1.00 1.00 N +ATOM 640 CA ARG A 45 1.121 3.401 -13.650 1.00 1.00 C +ATOM 641 C ARG A 45 0.419 3.730 -14.969 1.00 1.00 C +ATOM 642 O ARG A 45 1.054 4.188 -15.918 1.00 1.00 O +ATOM 643 CB ARG A 45 0.682 4.405 -12.583 1.00 1.00 C +ATOM 644 CG ARG A 45 0.948 3.860 -11.177 1.00 1.00 C +ATOM 645 CD ARG A 45 2.439 3.914 -10.843 1.00 1.00 C +ATOM 646 NE ARG A 45 2.650 3.581 -9.416 1.00 1.00 N +ATOM 647 CZ ARG A 45 3.846 3.597 -8.810 1.00 1.00 C +ATOM 648 NH1 ARG A 45 4.944 3.927 -9.502 1.00 1.00 N +ATOM 649 NH2 ARG A 45 3.942 3.281 -7.511 1.00 1.00 N +ATOM 650 H ARG A 45 2.950 4.327 -14.019 1.00 1.00 H +ATOM 651 HA ARG A 45 0.896 2.383 -13.330 1.00 1.00 H +ATOM 652 HB2 ARG A 45 1.215 5.345 -12.720 1.00 1.00 H +ATOM 653 HB3 ARG A 45 -0.381 4.621 -12.697 1.00 1.00 H +ATOM 654 HG2 ARG A 45 0.387 4.443 -10.446 1.00 1.00 H +ATOM 655 HG3 ARG A 45 0.592 2.832 -11.107 1.00 1.00 H +ATOM 656 HD2 ARG A 45 2.987 3.213 -11.472 1.00 1.00 H +ATOM 657 HD3 ARG A 45 2.834 4.908 -11.054 1.00 1.00 H +ATOM 658 HE ARG A 45 1.852 3.330 -8.870 1.00 1.00 H +ATOM 659 HH11 ARG A 45 4.872 4.163 -10.472 1.00 1.00 H +ATOM 660 HH12 ARG A 45 5.836 3.938 -9.049 1.00 1.00 H +ATOM 661 HH21 ARG A 45 3.122 3.034 -6.995 1.00 1.00 H +ATOM 662 HH22 ARG A 45 4.834 3.292 -7.059 1.00 1.00 H +ATOM 663 N SER A 46 -0.883 3.484 -14.988 1.00 1.00 N +ATOM 664 CA SER A 46 -1.679 3.748 -16.174 1.00 1.00 C +ATOM 665 C SER A 46 -2.648 4.901 -15.908 1.00 1.00 C +ATOM 666 O SER A 46 -2.787 5.350 -14.772 1.00 1.00 O +ATOM 667 CB SER A 46 -2.445 2.499 -16.612 1.00 1.00 C +ATOM 668 OG SER A 46 -3.857 2.693 -16.557 1.00 1.00 O +ATOM 669 H SER A 46 -1.392 3.112 -14.212 1.00 1.00 H +ATOM 670 HA SER A 46 -0.961 4.022 -16.947 1.00 1.00 H +ATOM 671 HB2 SER A 46 -2.156 2.234 -17.629 1.00 1.00 H +ATOM 672 HB3 SER A 46 -2.169 1.661 -15.972 1.00 1.00 H +ATOM 673 HG SER A 46 -4.319 2.007 -17.121 1.00 1.00 H +ATOM 674 N ILE A 47 -3.296 5.345 -16.975 1.00 1.00 N +ATOM 675 CA ILE A 47 -4.249 6.437 -16.870 1.00 1.00 C +ATOM 676 C ILE A 47 -5.487 6.109 -17.708 1.00 1.00 C +ATOM 677 O ILE A 47 -5.376 5.821 -18.899 1.00 1.00 O +ATOM 678 CB ILE A 47 -3.588 7.765 -17.244 1.00 1.00 C +ATOM 679 CG1 ILE A 47 -3.843 8.826 -16.172 1.00 1.00 C +ATOM 680 CG2 ILE A 47 -4.037 8.230 -18.631 1.00 1.00 C +ATOM 681 CD1 ILE A 47 -2.534 9.263 -15.510 1.00 1.00 C +ATOM 682 H ILE A 47 -3.179 4.974 -17.895 1.00 1.00 H +ATOM 683 HA ILE A 47 -4.550 6.510 -15.825 1.00 1.00 H +ATOM 684 HB ILE A 47 -2.510 7.608 -17.292 1.00 1.00 H +ATOM 685 HG12 ILE A 47 -4.333 9.690 -16.621 1.00 1.00 H +ATOM 686 HG13 ILE A 47 -4.521 8.430 -15.418 1.00 1.00 H +ATOM 687 HG21 ILE A 47 -3.926 7.411 -19.342 1.00 1.00 H +ATOM 688 HG22 ILE A 47 -5.081 8.537 -18.590 1.00 1.00 H +ATOM 689 HG23 ILE A 47 -3.423 9.072 -18.948 1.00 1.00 H +ATOM 690 HD11 ILE A 47 -1.692 8.934 -16.120 1.00 1.00 H +ATOM 691 HD12 ILE A 47 -2.517 10.349 -15.421 1.00 1.00 H +ATOM 692 HD13 ILE A 47 -2.463 8.815 -14.519 1.00 1.00 H +ATOM 693 N SER A 48 -6.638 6.165 -17.053 1.00 1.00 N +ATOM 694 CA SER A 48 -7.895 5.877 -17.723 1.00 1.00 C +ATOM 695 C SER A 48 -8.733 7.152 -17.830 1.00 1.00 C +ATOM 696 O SER A 48 -9.374 7.560 -16.862 1.00 1.00 O +ATOM 697 CB SER A 48 -8.676 4.788 -16.986 1.00 1.00 C +ATOM 698 OG SER A 48 -8.132 4.522 -15.695 1.00 1.00 O +ATOM 699 H SER A 48 -6.719 6.399 -16.084 1.00 1.00 H +ATOM 700 HA SER A 48 -7.618 5.517 -18.714 1.00 1.00 H +ATOM 701 HB2 SER A 48 -9.717 5.094 -16.885 1.00 1.00 H +ATOM 702 HB3 SER A 48 -8.668 3.872 -17.577 1.00 1.00 H +ATOM 703 HG SER A 48 -7.351 3.903 -15.774 1.00 1.00 H +ATOM 704 N LEU A 49 -8.704 7.745 -19.014 1.00 1.00 N +ATOM 705 CA LEU A 49 -9.453 8.965 -19.259 1.00 1.00 C +ATOM 706 C LEU A 49 -10.694 8.637 -20.094 1.00 1.00 C +ATOM 707 O LEU A 49 -10.644 7.784 -20.978 1.00 1.00 O +ATOM 708 CB LEU A 49 -8.554 10.030 -19.889 1.00 1.00 C +ATOM 709 CG LEU A 49 -7.054 9.885 -19.620 1.00 1.00 C +ATOM 710 CD1 LEU A 49 -6.292 9.584 -20.912 1.00 1.00 C +ATOM 711 CD2 LEU A 49 -6.504 11.121 -18.905 1.00 1.00 C +ATOM 712 H LEU A 49 -8.181 7.406 -19.795 1.00 1.00 H +ATOM 713 HA LEU A 49 -9.779 9.349 -18.292 1.00 1.00 H +ATOM 714 HB2 LEU A 49 -8.712 10.019 -20.968 1.00 1.00 H +ATOM 715 HB3 LEU A 49 -8.875 11.007 -19.531 1.00 1.00 H +ATOM 716 HG LEU A 49 -6.907 9.036 -18.953 1.00 1.00 H +ATOM 717 HD11 LEU A 49 -6.995 9.520 -21.743 1.00 1.00 H +ATOM 718 HD12 LEU A 49 -5.574 10.382 -21.104 1.00 1.00 H +ATOM 719 HD13 LEU A 49 -5.764 8.637 -20.809 1.00 1.00 H +ATOM 720 HD21 LEU A 49 -7.026 11.254 -17.957 1.00 1.00 H +ATOM 721 HD22 LEU A 49 -5.438 10.989 -18.719 1.00 1.00 H +ATOM 722 HD23 LEU A 49 -6.658 12.001 -19.530 1.00 1.00 H +ATOM 723 N ARG A 50 -11.779 9.330 -19.780 1.00 1.00 N +ATOM 724 CA ARG A 50 -13.030 9.124 -20.490 1.00 1.00 C +ATOM 725 C ARG A 50 -13.680 10.468 -20.820 1.00 1.00 C +ATOM 726 O ARG A 50 -13.951 11.269 -19.927 1.00 1.00 O +ATOM 727 CB ARG A 50 -14.003 8.287 -19.656 1.00 1.00 C +ATOM 728 CG ARG A 50 -15.060 7.629 -20.546 1.00 1.00 C +ATOM 729 CD ARG A 50 -16.330 8.481 -20.607 1.00 1.00 C +ATOM 730 NE ARG A 50 -17.493 7.688 -20.146 1.00 1.00 N +ATOM 731 CZ ARG A 50 -18.243 6.918 -20.946 1.00 1.00 C +ATOM 732 NH1 ARG A 50 -17.956 6.832 -22.252 1.00 1.00 N +ATOM 733 NH2 ARG A 50 -19.278 6.234 -20.441 1.00 1.00 N +ATOM 734 H ARG A 50 -11.811 10.023 -19.059 1.00 1.00 H +ATOM 735 HA ARG A 50 -12.751 8.588 -21.396 1.00 1.00 H +ATOM 736 HB2 ARG A 50 -13.453 7.519 -19.111 1.00 1.00 H +ATOM 737 HB3 ARG A 50 -14.489 8.919 -18.913 1.00 1.00 H +ATOM 738 HG2 ARG A 50 -14.661 7.491 -21.550 1.00 1.00 H +ATOM 739 HG3 ARG A 50 -15.299 6.638 -20.160 1.00 1.00 H +ATOM 740 HD2 ARG A 50 -16.214 9.367 -19.984 1.00 1.00 H +ATOM 741 HD3 ARG A 50 -16.497 8.825 -21.627 1.00 1.00 H +ATOM 742 HE ARG A 50 -17.734 7.730 -19.176 1.00 1.00 H +ATOM 743 HH11 ARG A 50 -17.183 7.341 -22.630 1.00 1.00 H +ATOM 744 HH12 ARG A 50 -18.515 6.257 -22.850 1.00 1.00 H +ATOM 745 HH21 ARG A 50 -19.492 6.300 -19.466 1.00 1.00 H +ATOM 746 HH22 ARG A 50 -19.838 5.661 -21.038 1.00 1.00 H +ATOM 747 N TYR A 51 -13.914 10.675 -22.108 1.00 1.00 N +ATOM 748 CA TYR A 51 -14.527 11.909 -22.569 1.00 1.00 C +ATOM 749 C TYR A 51 -16.024 11.715 -22.822 1.00 1.00 C +ATOM 750 O TYR A 51 -16.606 10.719 -22.395 1.00 1.00 O +ATOM 751 CB TYR A 51 -13.839 12.253 -23.891 1.00 1.00 C +ATOM 752 CG TYR A 51 -12.578 13.106 -23.735 1.00 1.00 C +ATOM 753 CD1 TYR A 51 -11.517 12.635 -22.991 1.00 1.00 C +ATOM 754 CD2 TYR A 51 -12.505 14.346 -24.336 1.00 1.00 C +ATOM 755 CE1 TYR A 51 -10.329 13.438 -22.843 1.00 1.00 C +ATOM 756 CE2 TYR A 51 -11.319 15.149 -24.188 1.00 1.00 C +ATOM 757 CZ TYR A 51 -10.289 14.654 -23.449 1.00 1.00 C +ATOM 758 OH TYR A 51 -9.169 15.413 -23.308 1.00 1.00 O +ATOM 759 H TYR A 51 -13.691 10.018 -22.829 1.00 1.00 H +ATOM 760 HA TYR A 51 -14.392 12.662 -21.794 1.00 1.00 H +ATOM 761 HB2 TYR A 51 -13.577 11.327 -24.406 1.00 1.00 H +ATOM 762 HB3 TYR A 51 -14.547 12.782 -24.531 1.00 1.00 H +ATOM 763 HD1 TYR A 51 -11.574 11.656 -22.517 1.00 1.00 H +ATOM 764 HD2 TYR A 51 -13.346 14.717 -24.923 1.00 1.00 H +ATOM 765 HE1 TYR A 51 -9.482 13.078 -22.258 1.00 1.00 H +ATOM 766 HE2 TYR A 51 -11.247 16.130 -24.656 1.00 1.00 H +ATOM 767 HH TYR A 51 -8.769 15.602 -24.206 1.00 1.00 H +ATOM 768 N GLU A 52 -16.604 12.684 -23.514 1.00 1.00 N +ATOM 769 CA GLU A 52 -18.022 12.634 -23.829 1.00 1.00 C +ATOM 770 C GLU A 52 -18.266 11.720 -25.032 1.00 1.00 C +ATOM 771 O GLU A 52 -19.001 12.080 -25.950 1.00 1.00 O +ATOM 772 CB GLU A 52 -18.578 14.036 -24.083 1.00 1.00 C +ATOM 773 CG GLU A 52 -20.107 14.023 -24.108 1.00 1.00 C +ATOM 774 CD GLU A 52 -20.675 13.732 -22.717 1.00 1.00 C +ATOM 775 OE1 GLU A 52 -20.166 14.347 -21.755 1.00 1.00 O +ATOM 776 OE2 GLU A 52 -21.606 12.901 -22.646 1.00 1.00 O +ATOM 777 H GLU A 52 -16.124 13.492 -23.859 1.00 1.00 H +ATOM 778 HA GLU A 52 -18.501 12.215 -22.943 1.00 1.00 H +ATOM 779 HB2 GLU A 52 -18.229 14.716 -23.308 1.00 1.00 H +ATOM 780 HB3 GLU A 52 -18.199 14.413 -25.033 1.00 1.00 H +ATOM 781 HG2 GLU A 52 -20.477 14.986 -24.460 1.00 1.00 H +ATOM 782 HG3 GLU A 52 -20.458 13.270 -24.812 1.00 1.00 H +ATOM 783 N GLY A 53 -17.638 10.554 -24.986 1.00 1.00 N +ATOM 784 CA GLY A 53 -17.779 9.585 -26.061 1.00 1.00 C +ATOM 785 C GLY A 53 -17.412 8.178 -25.583 1.00 1.00 C +ATOM 786 O GLY A 53 -18.278 7.313 -25.470 1.00 1.00 O +ATOM 787 H GLY A 53 -17.043 10.268 -24.235 1.00 1.00 H +ATOM 788 HA2 GLY A 53 -18.804 9.592 -26.429 1.00 1.00 H +ATOM 789 HA3 GLY A 53 -17.138 9.868 -26.896 1.00 1.00 H +ATOM 790 N ARG A 54 -16.127 7.997 -25.315 1.00 1.00 N +ATOM 791 CA ARG A 54 -15.635 6.710 -24.852 1.00 1.00 C +ATOM 792 C ARG A 54 -14.490 6.906 -23.857 1.00 1.00 C +ATOM 793 O ARG A 54 -14.138 8.037 -23.524 1.00 1.00 O +ATOM 794 CB ARG A 54 -15.146 5.853 -26.020 1.00 1.00 C +ATOM 795 CG ARG A 54 -14.033 6.566 -26.793 1.00 1.00 C +ATOM 796 CD ARG A 54 -14.609 7.636 -27.722 1.00 1.00 C +ATOM 797 NE ARG A 54 -14.151 7.401 -29.110 1.00 1.00 N +ATOM 798 CZ ARG A 54 -14.761 6.577 -29.973 1.00 1.00 C +ATOM 799 NH1 ARG A 54 -15.856 5.903 -29.595 1.00 1.00 N +ATOM 800 NH2 ARG A 54 -14.275 6.426 -31.211 1.00 1.00 N +ATOM 801 H ARG A 54 -15.431 8.707 -25.408 1.00 1.00 H +ATOM 802 HA ARG A 54 -16.494 6.239 -24.373 1.00 1.00 H +ATOM 803 HB2 ARG A 54 -14.779 4.898 -25.648 1.00 1.00 H +ATOM 804 HB3 ARG A 54 -15.977 5.637 -26.692 1.00 1.00 H +ATOM 805 HG2 ARG A 54 -13.335 7.025 -26.093 1.00 1.00 H +ATOM 806 HG3 ARG A 54 -13.467 5.840 -27.376 1.00 1.00 H +ATOM 807 HD2 ARG A 54 -15.697 7.617 -27.681 1.00 1.00 H +ATOM 808 HD3 ARG A 54 -14.294 8.626 -27.390 1.00 1.00 H +ATOM 809 HE ARG A 54 -13.336 7.889 -29.424 1.00 1.00 H +ATOM 810 HH11 ARG A 54 -16.219 6.016 -28.670 1.00 1.00 H +ATOM 811 HH12 ARG A 54 -16.311 5.288 -30.238 1.00 1.00 H +ATOM 812 HH21 ARG A 54 -13.458 6.929 -31.493 1.00 1.00 H +ATOM 813 HH22 ARG A 54 -14.730 5.810 -31.855 1.00 1.00 H +ATOM 814 N VAL A 55 -13.939 5.788 -23.409 1.00 1.00 N +ATOM 815 CA VAL A 55 -12.841 5.823 -22.459 1.00 1.00 C +ATOM 816 C VAL A 55 -11.539 5.460 -23.177 1.00 1.00 C +ATOM 817 O VAL A 55 -11.561 4.787 -24.207 1.00 1.00 O +ATOM 818 CB VAL A 55 -13.144 4.906 -21.272 1.00 1.00 C +ATOM 819 CG1 VAL A 55 -13.229 3.444 -21.717 1.00 1.00 C +ATOM 820 CG2 VAL A 55 -12.106 5.082 -20.162 1.00 1.00 C +ATOM 821 H VAL A 55 -14.231 4.872 -23.683 1.00 1.00 H +ATOM 822 HA VAL A 55 -12.762 6.844 -22.085 1.00 1.00 H +ATOM 823 HB VAL A 55 -14.117 5.190 -20.870 1.00 1.00 H +ATOM 824 HG11 VAL A 55 -12.413 3.227 -22.405 1.00 1.00 H +ATOM 825 HG12 VAL A 55 -13.152 2.794 -20.845 1.00 1.00 H +ATOM 826 HG13 VAL A 55 -14.182 3.271 -22.216 1.00 1.00 H +ATOM 827 HG21 VAL A 55 -11.110 5.128 -20.601 1.00 1.00 H +ATOM 828 HG22 VAL A 55 -12.307 6.006 -19.621 1.00 1.00 H +ATOM 829 HG23 VAL A 55 -12.163 4.239 -19.475 1.00 1.00 H +ATOM 830 N TYR A 56 -10.437 5.920 -22.605 1.00 1.00 N +ATOM 831 CA TYR A 56 -9.128 5.652 -23.178 1.00 1.00 C +ATOM 832 C TYR A 56 -8.143 5.191 -22.102 1.00 1.00 C +ATOM 833 O TYR A 56 -8.025 5.820 -21.052 1.00 1.00 O +ATOM 834 CB TYR A 56 -8.643 6.980 -23.762 1.00 1.00 C +ATOM 835 CG TYR A 56 -9.723 7.761 -24.512 1.00 1.00 C +ATOM 836 CD1 TYR A 56 -10.248 7.259 -25.685 1.00 1.00 C +ATOM 837 CD2 TYR A 56 -10.172 8.968 -24.017 1.00 1.00 C +ATOM 838 CE1 TYR A 56 -11.265 7.994 -26.392 1.00 1.00 C +ATOM 839 CE2 TYR A 56 -11.187 9.705 -24.723 1.00 1.00 C +ATOM 840 CZ TYR A 56 -11.684 9.181 -25.877 1.00 1.00 C +ATOM 841 OH TYR A 56 -12.645 9.875 -26.544 1.00 1.00 O +ATOM 842 H TYR A 56 -10.427 6.467 -21.768 1.00 1.00 H +ATOM 843 HA TYR A 56 -9.241 4.861 -23.919 1.00 1.00 H +ATOM 844 HB2 TYR A 56 -8.255 7.600 -22.953 1.00 1.00 H +ATOM 845 HB3 TYR A 56 -7.812 6.786 -24.439 1.00 1.00 H +ATOM 846 HD1 TYR A 56 -9.894 6.305 -26.076 1.00 1.00 H +ATOM 847 HD2 TYR A 56 -9.755 9.366 -23.090 1.00 1.00 H +ATOM 848 HE1 TYR A 56 -11.689 7.609 -27.320 1.00 1.00 H +ATOM 849 HE2 TYR A 56 -11.550 10.659 -24.343 1.00 1.00 H +ATOM 850 HH TYR A 56 -13.498 9.866 -26.023 1.00 1.00 H +ATOM 851 N HIS A 57 -7.460 4.095 -22.401 1.00 1.00 N +ATOM 852 CA HIS A 57 -6.489 3.542 -21.473 1.00 1.00 C +ATOM 853 C HIS A 57 -5.078 3.716 -22.040 1.00 1.00 C +ATOM 854 O HIS A 57 -4.728 3.094 -23.041 1.00 1.00 O +ATOM 855 CB HIS A 57 -6.820 2.085 -21.144 1.00 1.00 C +ATOM 856 CG HIS A 57 -8.287 1.747 -21.260 1.00 1.00 C +ATOM 857 ND1 HIS A 57 -9.158 1.815 -20.187 1.00 1.00 N +ATOM 858 CD2 HIS A 57 -9.025 1.339 -22.331 1.00 1.00 C +ATOM 859 CE1 HIS A 57 -10.364 1.461 -20.605 1.00 1.00 C +ATOM 860 NE2 HIS A 57 -10.279 1.166 -21.935 1.00 1.00 N +ATOM 861 H HIS A 57 -7.561 3.589 -23.257 1.00 1.00 H +ATOM 862 HA HIS A 57 -6.574 4.118 -20.551 1.00 1.00 H +ATOM 863 HB2 HIS A 57 -6.254 1.434 -21.812 1.00 1.00 H +ATOM 864 HB3 HIS A 57 -6.485 1.867 -20.130 1.00 1.00 H +ATOM 865 HD1 HIS A 57 -8.919 2.085 -19.255 1.00 1.00 H +ATOM 866 HD2 HIS A 57 -8.648 1.182 -23.342 1.00 1.00 H +ATOM 867 HE1 HIS A 57 -11.266 1.414 -19.996 1.00 1.00 H +ATOM 868 N TYR A 58 -4.310 4.568 -21.377 1.00 1.00 N +ATOM 869 CA TYR A 58 -2.946 4.832 -21.803 1.00 1.00 C +ATOM 870 C TYR A 58 -1.966 4.672 -20.639 1.00 1.00 C +ATOM 871 O TYR A 58 -1.973 5.470 -19.704 1.00 1.00 O +ATOM 872 CB TYR A 58 -2.926 6.287 -22.274 1.00 1.00 C +ATOM 873 CG TYR A 58 -2.847 6.449 -23.794 1.00 1.00 C +ATOM 874 CD1 TYR A 58 -3.737 5.777 -24.606 1.00 1.00 C +ATOM 875 CD2 TYR A 58 -1.886 7.267 -24.352 1.00 1.00 C +ATOM 876 CE1 TYR A 58 -3.663 5.930 -26.036 1.00 1.00 C +ATOM 877 CE2 TYR A 58 -1.811 7.419 -25.782 1.00 1.00 C +ATOM 878 CZ TYR A 58 -2.704 6.742 -26.554 1.00 1.00 C +ATOM 879 OH TYR A 58 -2.634 6.885 -27.904 1.00 1.00 O +ATOM 880 H TYR A 58 -4.603 5.070 -20.565 1.00 1.00 H +ATOM 881 HA TYR A 58 -2.691 4.115 -22.584 1.00 1.00 H +ATOM 882 HB2 TYR A 58 -3.823 6.788 -21.912 1.00 1.00 H +ATOM 883 HB3 TYR A 58 -2.073 6.794 -21.821 1.00 1.00 H +ATOM 884 HD1 TYR A 58 -4.497 5.132 -24.165 1.00 1.00 H +ATOM 885 HD2 TYR A 58 -1.182 7.798 -23.710 1.00 1.00 H +ATOM 886 HE1 TYR A 58 -4.360 5.405 -26.689 1.00 1.00 H +ATOM 887 HE2 TYR A 58 -1.056 8.061 -26.235 1.00 1.00 H +ATOM 888 HH TYR A 58 -2.230 6.069 -28.314 1.00 1.00 H +ATOM 889 N ARG A 59 -1.147 3.634 -20.734 1.00 1.00 N +ATOM 890 CA ARG A 59 -0.164 3.360 -19.701 1.00 1.00 C +ATOM 891 C ARG A 59 0.929 4.429 -19.708 1.00 1.00 C +ATOM 892 O ARG A 59 1.376 4.857 -20.773 1.00 1.00 O +ATOM 893 CB ARG A 59 0.476 1.984 -19.901 1.00 1.00 C +ATOM 894 CG ARG A 59 1.282 1.940 -21.201 1.00 1.00 C +ATOM 895 CD ARG A 59 1.814 0.530 -21.468 1.00 1.00 C +ATOM 896 NE ARG A 59 0.891 -0.196 -22.368 1.00 1.00 N +ATOM 897 CZ ARG A 59 0.777 -1.531 -22.411 1.00 1.00 C +ATOM 898 NH1 ARG A 59 1.527 -2.292 -21.602 1.00 1.00 N +ATOM 899 NH2 ARG A 59 -0.087 -2.103 -23.260 1.00 1.00 N +ATOM 900 H ARG A 59 -1.148 2.990 -21.499 1.00 1.00 H +ATOM 901 HA ARG A 59 -0.727 3.381 -18.767 1.00 1.00 H +ATOM 902 HB2 ARG A 59 1.127 1.756 -19.057 1.00 1.00 H +ATOM 903 HB3 ARG A 59 -0.299 1.218 -19.922 1.00 1.00 H +ATOM 904 HG2 ARG A 59 0.655 2.261 -22.033 1.00 1.00 H +ATOM 905 HG3 ARG A 59 2.114 2.641 -21.141 1.00 1.00 H +ATOM 906 HD2 ARG A 59 2.805 0.586 -21.918 1.00 1.00 H +ATOM 907 HD3 ARG A 59 1.919 -0.012 -20.528 1.00 1.00 H +ATOM 908 HE ARG A 59 0.317 0.342 -22.985 1.00 1.00 H +ATOM 909 HH11 ARG A 59 2.172 -1.865 -20.970 1.00 1.00 H +ATOM 910 HH12 ARG A 59 1.442 -3.289 -21.634 1.00 1.00 H +ATOM 911 HH21 ARG A 59 -0.647 -1.535 -23.862 1.00 1.00 H +ATOM 912 HH22 ARG A 59 -0.172 -3.099 -23.290 1.00 1.00 H +ATOM 913 N ILE A 60 1.327 4.834 -18.512 1.00 1.00 N +ATOM 914 CA ILE A 60 2.360 5.846 -18.368 1.00 1.00 C +ATOM 915 C ILE A 60 3.703 5.265 -18.817 1.00 1.00 C +ATOM 916 O ILE A 60 3.924 4.060 -18.725 1.00 1.00 O +ATOM 917 CB ILE A 60 2.374 6.397 -16.940 1.00 1.00 C +ATOM 918 CG1 ILE A 60 0.969 6.815 -16.501 1.00 1.00 C +ATOM 919 CG2 ILE A 60 3.381 7.540 -16.806 1.00 1.00 C +ATOM 920 CD1 ILE A 60 0.877 6.903 -14.976 1.00 1.00 C +ATOM 921 H ILE A 60 0.959 4.482 -17.652 1.00 1.00 H +ATOM 922 HA ILE A 60 2.101 6.672 -19.031 1.00 1.00 H +ATOM 923 HB ILE A 60 2.698 5.601 -16.270 1.00 1.00 H +ATOM 924 HG12 ILE A 60 0.719 7.781 -16.939 1.00 1.00 H +ATOM 925 HG13 ILE A 60 0.240 6.097 -16.872 1.00 1.00 H +ATOM 926 HG21 ILE A 60 3.265 8.229 -17.642 1.00 1.00 H +ATOM 927 HG22 ILE A 60 3.204 8.072 -15.870 1.00 1.00 H +ATOM 928 HG23 ILE A 60 4.393 7.135 -16.806 1.00 1.00 H +ATOM 929 HD11 ILE A 60 1.807 6.546 -14.534 1.00 1.00 H +ATOM 930 HD12 ILE A 60 0.709 7.938 -14.680 1.00 1.00 H +ATOM 931 HD13 ILE A 60 0.048 6.286 -14.626 1.00 1.00 H +ATOM 932 N ASN A 61 4.563 6.153 -19.292 1.00 1.00 N +ATOM 933 CA ASN A 61 5.879 5.744 -19.756 1.00 1.00 C +ATOM 934 C ASN A 61 6.947 6.347 -18.841 1.00 1.00 C +ATOM 935 O ASN A 61 6.752 7.423 -18.278 1.00 1.00 O +ATOM 936 CB ASN A 61 6.141 6.241 -21.179 1.00 1.00 C +ATOM 937 CG ASN A 61 4.828 6.513 -21.915 1.00 1.00 C +ATOM 938 OD1 ASN A 61 4.034 5.622 -22.173 1.00 1.00 O +ATOM 939 ND2 ASN A 61 4.641 7.789 -22.238 1.00 1.00 N +ATOM 940 H ASN A 61 4.376 7.132 -19.365 1.00 1.00 H +ATOM 941 HA ASN A 61 5.868 4.656 -19.724 1.00 1.00 H +ATOM 942 HB2 ASN A 61 6.738 7.153 -21.147 1.00 1.00 H +ATOM 943 HB3 ASN A 61 6.721 5.499 -21.726 1.00 1.00 H +ATOM 944 HD21 ASN A 61 5.332 8.472 -21.997 1.00 1.00 H +ATOM 945 HD22 ASN A 61 3.812 8.069 -22.721 1.00 1.00 H +ATOM 946 N THR A 62 8.052 5.626 -18.720 1.00 1.00 N +ATOM 947 CA THR A 62 9.152 6.076 -17.884 1.00 1.00 C +ATOM 948 C THR A 62 10.362 6.444 -18.745 1.00 1.00 C +ATOM 949 O THR A 62 10.482 5.985 -19.880 1.00 1.00 O +ATOM 950 CB THR A 62 9.446 4.978 -16.859 1.00 1.00 C +ATOM 951 OG1 THR A 62 8.201 4.778 -16.196 1.00 1.00 O +ATOM 952 CG2 THR A 62 10.388 5.449 -15.750 1.00 1.00 C +ATOM 953 H THR A 62 8.203 4.752 -19.182 1.00 1.00 H +ATOM 954 HA THR A 62 8.840 6.983 -17.366 1.00 1.00 H +ATOM 955 HB THR A 62 9.835 4.085 -17.348 1.00 1.00 H +ATOM 956 HG1 THR A 62 8.310 4.117 -15.455 1.00 1.00 H +ATOM 957 HG21 THR A 62 11.193 6.043 -16.184 1.00 1.00 H +ATOM 958 HG22 THR A 62 9.833 6.059 -15.036 1.00 1.00 H +ATOM 959 HG23 THR A 62 10.808 4.583 -15.239 1.00 1.00 H +ATOM 960 N ALA A 63 11.227 7.266 -18.171 1.00 1.00 N +ATOM 961 CA ALA A 63 12.424 7.701 -18.872 1.00 1.00 C +ATOM 962 C ALA A 63 13.510 6.633 -18.728 1.00 1.00 C +ATOM 963 O ALA A 63 14.665 6.952 -18.449 1.00 1.00 O +ATOM 964 CB ALA A 63 12.867 9.061 -18.329 1.00 1.00 C +ATOM 965 H ALA A 63 11.121 7.634 -17.247 1.00 1.00 H +ATOM 966 HA ALA A 63 12.170 7.810 -19.926 1.00 1.00 H +ATOM 967 HB1 ALA A 63 12.351 9.265 -17.392 1.00 1.00 H +ATOM 968 HB2 ALA A 63 13.944 9.050 -18.156 1.00 1.00 H +ATOM 969 HB3 ALA A 63 12.625 9.838 -19.054 1.00 1.00 H +ATOM 970 N SER A 64 13.101 5.388 -18.925 1.00 1.00 N +ATOM 971 CA SER A 64 14.025 4.272 -18.820 1.00 1.00 C +ATOM 972 C SER A 64 14.908 4.437 -17.582 1.00 1.00 C +ATOM 973 O SER A 64 16.070 4.032 -17.585 1.00 1.00 O +ATOM 974 CB SER A 64 14.891 4.154 -20.076 1.00 1.00 C +ATOM 975 OG SER A 64 15.550 2.893 -20.155 1.00 1.00 O +ATOM 976 H SER A 64 12.160 5.139 -19.152 1.00 1.00 H +ATOM 977 HA SER A 64 13.398 3.385 -18.729 1.00 1.00 H +ATOM 978 HB2 SER A 64 14.268 4.293 -20.962 1.00 1.00 H +ATOM 979 HB3 SER A 64 15.634 4.953 -20.083 1.00 1.00 H +ATOM 980 HG SER A 64 16.240 2.912 -20.879 1.00 1.00 H +ATOM 981 N ASP A 65 14.321 5.031 -16.552 1.00 1.00 N +ATOM 982 CA ASP A 65 15.040 5.253 -15.309 1.00 1.00 C +ATOM 983 C ASP A 65 14.102 4.994 -14.129 1.00 1.00 C +ATOM 984 O ASP A 65 14.400 4.175 -13.263 1.00 1.00 O +ATOM 985 CB ASP A 65 15.536 6.697 -15.210 1.00 1.00 C +ATOM 986 CG ASP A 65 14.706 7.721 -15.989 1.00 1.00 C +ATOM 987 OD1 ASP A 65 13.468 7.551 -16.006 1.00 1.00 O +ATOM 988 OD2 ASP A 65 15.329 8.648 -16.550 1.00 1.00 O +ATOM 989 H ASP A 65 13.377 5.356 -16.559 1.00 1.00 H +ATOM 990 HA ASP A 65 15.880 4.559 -15.335 1.00 1.00 H +ATOM 991 HB2 ASP A 65 15.553 6.989 -14.161 1.00 1.00 H +ATOM 992 HB3 ASP A 65 16.564 6.739 -15.570 1.00 1.00 H +ATOM 993 N GLY A 66 12.985 5.708 -14.135 1.00 1.00 N +ATOM 994 CA GLY A 66 12.001 5.565 -13.074 1.00 1.00 C +ATOM 995 C GLY A 66 11.003 6.725 -13.095 1.00 1.00 C +ATOM 996 O GLY A 66 9.864 6.575 -12.654 1.00 1.00 O +ATOM 997 H GLY A 66 12.749 6.372 -14.844 1.00 1.00 H +ATOM 998 HA2 GLY A 66 11.470 4.621 -13.192 1.00 1.00 H +ATOM 999 HA3 GLY A 66 12.504 5.530 -12.108 1.00 1.00 H +ATOM 1000 N LYS A 67 11.465 7.855 -13.609 1.00 1.00 N +ATOM 1001 CA LYS A 67 10.627 9.039 -13.693 1.00 1.00 C +ATOM 1002 C LYS A 67 9.543 8.817 -14.748 1.00 1.00 C +ATOM 1003 O LYS A 67 9.776 8.146 -15.753 1.00 1.00 O +ATOM 1004 CB LYS A 67 11.482 10.283 -13.940 1.00 1.00 C +ATOM 1005 CG LYS A 67 12.911 10.078 -13.431 1.00 1.00 C +ATOM 1006 CD LYS A 67 13.593 11.420 -13.158 1.00 1.00 C +ATOM 1007 CE LYS A 67 14.392 11.888 -14.375 1.00 1.00 C +ATOM 1008 NZ LYS A 67 15.828 12.004 -14.039 1.00 1.00 N +ATOM 1009 H LYS A 67 12.394 7.968 -13.966 1.00 1.00 H +ATOM 1010 HA LYS A 67 10.146 9.165 -12.723 1.00 1.00 H +ATOM 1011 HB2 LYS A 67 11.501 10.509 -15.006 1.00 1.00 H +ATOM 1012 HB3 LYS A 67 11.034 11.141 -13.441 1.00 1.00 H +ATOM 1013 HG2 LYS A 67 12.893 9.482 -12.519 1.00 1.00 H +ATOM 1014 HG3 LYS A 67 13.486 9.517 -14.168 1.00 1.00 H +ATOM 1015 HD2 LYS A 67 12.841 12.168 -12.901 1.00 1.00 H +ATOM 1016 HD3 LYS A 67 14.256 11.325 -12.297 1.00 1.00 H +ATOM 1017 HE2 LYS A 67 14.261 11.184 -15.196 1.00 1.00 H +ATOM 1018 HE3 LYS A 67 14.014 12.851 -14.717 1.00 1.00 H +ATOM 1019 HZ1 LYS A 67 15.931 12.512 -13.183 1.00 1.00 H +ATOM 1020 HZ2 LYS A 67 16.221 11.090 -13.932 1.00 1.00 H +ATOM 1021 HZ3 LYS A 67 16.304 12.488 -14.773 1.00 1.00 H +ATOM 1022 N LEU A 68 8.380 9.393 -14.483 1.00 1.00 N +ATOM 1023 CA LEU A 68 7.257 9.268 -15.398 1.00 1.00 C +ATOM 1024 C LEU A 68 7.095 10.572 -16.181 1.00 1.00 C +ATOM 1025 O LEU A 68 6.870 11.629 -15.593 1.00 1.00 O +ATOM 1026 CB LEU A 68 5.996 8.841 -14.644 1.00 1.00 C +ATOM 1027 CG LEU A 68 6.030 7.447 -14.014 1.00 1.00 C +ATOM 1028 CD1 LEU A 68 4.970 7.314 -12.920 1.00 1.00 C +ATOM 1029 CD2 LEU A 68 5.893 6.360 -15.083 1.00 1.00 C +ATOM 1030 H LEU A 68 8.197 9.938 -13.665 1.00 1.00 H +ATOM 1031 HA LEU A 68 7.497 8.471 -16.101 1.00 1.00 H +ATOM 1032 HB2 LEU A 68 5.805 9.570 -13.855 1.00 1.00 H +ATOM 1033 HB3 LEU A 68 5.152 8.887 -15.332 1.00 1.00 H +ATOM 1034 HG LEU A 68 7.002 7.311 -13.539 1.00 1.00 H +ATOM 1035 HD11 LEU A 68 5.034 8.166 -12.245 1.00 1.00 H +ATOM 1036 HD12 LEU A 68 3.980 7.285 -13.375 1.00 1.00 H +ATOM 1037 HD13 LEU A 68 5.138 6.393 -12.361 1.00 1.00 H +ATOM 1038 HD21 LEU A 68 6.225 6.752 -16.044 1.00 1.00 H +ATOM 1039 HD22 LEU A 68 6.506 5.501 -14.808 1.00 1.00 H +ATOM 1040 HD23 LEU A 68 4.849 6.054 -15.156 1.00 1.00 H +ATOM 1041 N TYR A 69 7.214 10.455 -17.494 1.00 1.00 N +ATOM 1042 CA TYR A 69 7.081 11.611 -18.364 1.00 1.00 C +ATOM 1043 C TYR A 69 6.133 11.318 -19.529 1.00 1.00 C +ATOM 1044 O TYR A 69 6.496 10.612 -20.467 1.00 1.00 O +ATOM 1045 CB TYR A 69 8.481 11.883 -18.920 1.00 1.00 C +ATOM 1046 CG TYR A 69 8.826 11.064 -20.166 1.00 1.00 C +ATOM 1047 CD1 TYR A 69 9.122 9.722 -20.050 1.00 1.00 C +ATOM 1048 CD2 TYR A 69 8.839 11.669 -21.407 1.00 1.00 C +ATOM 1049 CE1 TYR A 69 9.447 8.951 -21.222 1.00 1.00 C +ATOM 1050 CE2 TYR A 69 9.162 10.898 -22.580 1.00 1.00 C +ATOM 1051 CZ TYR A 69 9.451 9.578 -22.429 1.00 1.00 C +ATOM 1052 OH TYR A 69 9.757 8.849 -23.536 1.00 1.00 O +ATOM 1053 H TYR A 69 7.396 9.591 -17.966 1.00 1.00 H +ATOM 1054 HA TYR A 69 6.676 12.434 -17.773 1.00 1.00 H +ATOM 1055 HB2 TYR A 69 8.567 12.944 -19.160 1.00 1.00 H +ATOM 1056 HB3 TYR A 69 9.216 11.671 -18.144 1.00 1.00 H +ATOM 1057 HD1 TYR A 69 9.112 9.244 -19.069 1.00 1.00 H +ATOM 1058 HD2 TYR A 69 8.604 12.728 -21.499 1.00 1.00 H +ATOM 1059 HE1 TYR A 69 9.683 7.890 -21.144 1.00 1.00 H +ATOM 1060 HE2 TYR A 69 9.177 11.363 -23.566 1.00 1.00 H +ATOM 1061 HH TYR A 69 10.212 7.999 -23.272 1.00 1.00 H +ATOM 1062 N VAL A 70 4.935 11.875 -19.428 1.00 1.00 N +ATOM 1063 CA VAL A 70 3.930 11.683 -20.459 1.00 1.00 C +ATOM 1064 C VAL A 70 4.331 12.470 -21.709 1.00 1.00 C +ATOM 1065 O VAL A 70 3.793 12.239 -22.790 1.00 1.00 O +ATOM 1066 CB VAL A 70 2.549 12.070 -19.925 1.00 1.00 C +ATOM 1067 CG1 VAL A 70 1.439 11.442 -20.771 1.00 1.00 C +ATOM 1068 CG2 VAL A 70 2.403 11.683 -18.453 1.00 1.00 C +ATOM 1069 H VAL A 70 4.647 12.448 -18.659 1.00 1.00 H +ATOM 1070 HA VAL A 70 3.911 10.621 -20.705 1.00 1.00 H +ATOM 1071 HB VAL A 70 2.455 13.153 -19.999 1.00 1.00 H +ATOM 1072 HG11 VAL A 70 1.801 11.281 -21.785 1.00 1.00 H +ATOM 1073 HG12 VAL A 70 1.146 10.488 -20.333 1.00 1.00 H +ATOM 1074 HG13 VAL A 70 0.578 12.111 -20.794 1.00 1.00 H +ATOM 1075 HG21 VAL A 70 3.189 10.977 -18.182 1.00 1.00 H +ATOM 1076 HG22 VAL A 70 2.489 12.576 -17.833 1.00 1.00 H +ATOM 1077 HG23 VAL A 70 1.428 11.223 -18.292 1.00 1.00 H +ATOM 1078 N SER A 71 5.272 13.381 -21.518 1.00 1.00 N +ATOM 1079 CA SER A 71 5.751 14.204 -22.615 1.00 1.00 C +ATOM 1080 C SER A 71 7.237 14.518 -22.424 1.00 1.00 C +ATOM 1081 O SER A 71 7.664 14.866 -21.324 1.00 1.00 O +ATOM 1082 CB SER A 71 4.944 15.500 -22.726 1.00 1.00 C +ATOM 1083 OG SER A 71 4.836 15.947 -24.075 1.00 1.00 O +ATOM 1084 H SER A 71 5.705 13.563 -20.633 1.00 1.00 H +ATOM 1085 HA SER A 71 5.599 13.605 -23.512 1.00 1.00 H +ATOM 1086 HB2 SER A 71 3.947 15.341 -22.314 1.00 1.00 H +ATOM 1087 HB3 SER A 71 5.419 16.275 -22.123 1.00 1.00 H +ATOM 1088 HG SER A 71 3.936 15.715 -24.440 1.00 1.00 H +ATOM 1089 N SER A 72 7.981 14.385 -23.512 1.00 1.00 N +ATOM 1090 CA SER A 72 9.409 14.652 -23.478 1.00 1.00 C +ATOM 1091 C SER A 72 9.666 16.065 -22.951 1.00 1.00 C +ATOM 1092 O SER A 72 10.790 16.396 -22.578 1.00 1.00 O +ATOM 1093 CB SER A 72 10.035 14.479 -24.864 1.00 1.00 C +ATOM 1094 OG SER A 72 10.978 13.412 -24.895 1.00 1.00 O +ATOM 1095 H SER A 72 7.625 14.103 -24.403 1.00 1.00 H +ATOM 1096 HA SER A 72 9.826 13.908 -22.799 1.00 1.00 H +ATOM 1097 HB2 SER A 72 9.249 14.290 -25.594 1.00 1.00 H +ATOM 1098 HB3 SER A 72 10.527 15.406 -25.157 1.00 1.00 H +ATOM 1099 HG SER A 72 11.590 13.518 -25.679 1.00 1.00 H +ATOM 1100 N GLU A 73 8.606 16.858 -22.938 1.00 1.00 N +ATOM 1101 CA GLU A 73 8.703 18.229 -22.465 1.00 1.00 C +ATOM 1102 C GLU A 73 8.215 18.325 -21.016 1.00 1.00 C +ATOM 1103 O GLU A 73 8.453 19.325 -20.342 1.00 1.00 O +ATOM 1104 CB GLU A 73 7.920 19.180 -23.370 1.00 1.00 C +ATOM 1105 CG GLU A 73 6.873 18.421 -24.188 1.00 1.00 C +ATOM 1106 CD GLU A 73 6.002 19.386 -24.993 1.00 1.00 C +ATOM 1107 OE1 GLU A 73 6.591 20.259 -25.665 1.00 1.00 O +ATOM 1108 OE2 GLU A 73 4.763 19.228 -24.920 1.00 1.00 O +ATOM 1109 H GLU A 73 7.695 16.580 -23.244 1.00 1.00 H +ATOM 1110 HA GLU A 73 9.762 18.478 -22.514 1.00 1.00 H +ATOM 1111 HB2 GLU A 73 7.431 19.945 -22.767 1.00 1.00 H +ATOM 1112 HB3 GLU A 73 8.606 19.695 -24.042 1.00 1.00 H +ATOM 1113 HG2 GLU A 73 7.368 17.723 -24.862 1.00 1.00 H +ATOM 1114 HG3 GLU A 73 6.246 17.828 -23.521 1.00 1.00 H +ATOM 1115 N SER A 74 7.539 17.271 -20.583 1.00 1.00 N +ATOM 1116 CA SER A 74 7.016 17.225 -19.227 1.00 1.00 C +ATOM 1117 C SER A 74 7.325 15.867 -18.594 1.00 1.00 C +ATOM 1118 O SER A 74 6.678 14.869 -18.905 1.00 1.00 O +ATOM 1119 CB SER A 74 5.508 17.485 -19.212 1.00 1.00 C +ATOM 1120 OG SER A 74 5.097 18.306 -20.301 1.00 1.00 O +ATOM 1121 H SER A 74 7.349 16.461 -21.137 1.00 1.00 H +ATOM 1122 HA SER A 74 7.529 18.022 -18.693 1.00 1.00 H +ATOM 1123 HB2 SER A 74 4.975 16.536 -19.251 1.00 1.00 H +ATOM 1124 HB3 SER A 74 5.235 17.966 -18.272 1.00 1.00 H +ATOM 1125 HG SER A 74 5.898 18.659 -20.785 1.00 1.00 H +ATOM 1126 N ARG A 75 8.317 15.873 -17.715 1.00 1.00 N +ATOM 1127 CA ARG A 75 8.721 14.654 -17.034 1.00 1.00 C +ATOM 1128 C ARG A 75 8.529 14.801 -15.523 1.00 1.00 C +ATOM 1129 O ARG A 75 8.760 15.874 -14.966 1.00 1.00 O +ATOM 1130 CB ARG A 75 10.186 14.320 -17.324 1.00 1.00 C +ATOM 1131 CG ARG A 75 10.791 15.320 -18.313 1.00 1.00 C +ATOM 1132 CD ARG A 75 12.068 14.763 -18.945 1.00 1.00 C +ATOM 1133 NE ARG A 75 12.957 15.873 -19.352 1.00 1.00 N +ATOM 1134 CZ ARG A 75 14.240 15.716 -19.705 1.00 1.00 C +ATOM 1135 NH1 ARG A 75 14.792 14.496 -19.701 1.00 1.00 N +ATOM 1136 NH2 ARG A 75 14.971 16.782 -20.062 1.00 1.00 N +ATOM 1137 H ARG A 75 8.839 16.688 -17.468 1.00 1.00 H +ATOM 1138 HA ARG A 75 8.069 13.880 -17.439 1.00 1.00 H +ATOM 1139 HB2 ARG A 75 10.756 14.331 -16.397 1.00 1.00 H +ATOM 1140 HB3 ARG A 75 10.258 13.312 -17.733 1.00 1.00 H +ATOM 1141 HG2 ARG A 75 10.065 15.550 -19.093 1.00 1.00 H +ATOM 1142 HG3 ARG A 75 11.013 16.255 -17.798 1.00 1.00 H +ATOM 1143 HD2 ARG A 75 12.582 14.116 -18.234 1.00 1.00 H +ATOM 1144 HD3 ARG A 75 11.817 14.149 -19.810 1.00 1.00 H +ATOM 1145 HE ARG A 75 12.576 16.797 -19.366 1.00 1.00 H +ATOM 1146 HH11 ARG A 75 14.246 13.701 -19.435 1.00 1.00 H +ATOM 1147 HH12 ARG A 75 15.750 14.380 -19.965 1.00 1.00 H +ATOM 1148 HH21 ARG A 75 14.559 17.693 -20.064 1.00 1.00 H +ATOM 1149 HH22 ARG A 75 15.930 16.666 -20.325 1.00 1.00 H +ATOM 1150 N PHE A 76 8.107 13.709 -14.903 1.00 1.00 N +ATOM 1151 CA PHE A 76 7.881 13.703 -13.469 1.00 1.00 C +ATOM 1152 C PHE A 76 8.416 12.418 -12.834 1.00 1.00 C +ATOM 1153 O PHE A 76 8.887 11.523 -13.536 1.00 1.00 O +ATOM 1154 CB PHE A 76 6.368 13.773 -13.254 1.00 1.00 C +ATOM 1155 CG PHE A 76 5.696 14.966 -13.935 1.00 1.00 C +ATOM 1156 CD1 PHE A 76 5.820 16.212 -13.403 1.00 1.00 C +ATOM 1157 CD2 PHE A 76 4.975 14.781 -15.074 1.00 1.00 C +ATOM 1158 CE1 PHE A 76 5.197 17.319 -14.036 1.00 1.00 C +ATOM 1159 CE2 PHE A 76 4.352 15.889 -15.707 1.00 1.00 C +ATOM 1160 CZ PHE A 76 4.475 17.134 -15.175 1.00 1.00 C +ATOM 1161 H PHE A 76 7.921 12.841 -15.364 1.00 1.00 H +ATOM 1162 HA PHE A 76 8.413 14.560 -13.054 1.00 1.00 H +ATOM 1163 HB2 PHE A 76 5.917 12.853 -13.626 1.00 1.00 H +ATOM 1164 HB3 PHE A 76 6.165 13.817 -12.183 1.00 1.00 H +ATOM 1165 HD1 PHE A 76 6.398 16.359 -12.491 1.00 1.00 H +ATOM 1166 HD2 PHE A 76 4.877 13.784 -15.500 1.00 1.00 H +ATOM 1167 HE1 PHE A 76 5.295 18.317 -13.610 1.00 1.00 H +ATOM 1168 HE2 PHE A 76 3.774 15.741 -16.619 1.00 1.00 H +ATOM 1169 HZ PHE A 76 3.997 17.985 -15.660 1.00 1.00 H +ATOM 1170 N ASN A 77 8.327 12.366 -11.513 1.00 1.00 N +ATOM 1171 CA ASN A 77 8.797 11.205 -10.776 1.00 1.00 C +ATOM 1172 C ASN A 77 7.602 10.491 -10.143 1.00 1.00 C +ATOM 1173 O ASN A 77 7.573 9.263 -10.072 1.00 1.00 O +ATOM 1174 CB ASN A 77 9.753 11.615 -9.653 1.00 1.00 C +ATOM 1175 CG ASN A 77 11.205 11.589 -10.134 1.00 1.00 C +ATOM 1176 OD1 ASN A 77 11.775 10.548 -10.415 1.00 1.00 O +ATOM 1177 ND2 ASN A 77 11.770 12.792 -10.212 1.00 1.00 N +ATOM 1178 H ASN A 77 7.944 13.098 -10.949 1.00 1.00 H +ATOM 1179 HA ASN A 77 9.310 10.586 -11.513 1.00 1.00 H +ATOM 1180 HB2 ASN A 77 9.499 12.615 -9.302 1.00 1.00 H +ATOM 1181 HB3 ASN A 77 9.634 10.940 -8.806 1.00 1.00 H +ATOM 1182 HD21 ASN A 77 11.245 13.607 -9.966 1.00 1.00 H +ATOM 1183 HD22 ASN A 77 12.719 12.878 -10.515 1.00 1.00 H +ATOM 1184 N THR A 78 6.643 11.291 -9.695 1.00 1.00 N +ATOM 1185 CA THR A 78 5.449 10.750 -9.070 1.00 1.00 C +ATOM 1186 C THR A 78 4.209 11.101 -9.896 1.00 1.00 C +ATOM 1187 O THR A 78 4.213 12.076 -10.645 1.00 1.00 O +ATOM 1188 CB THR A 78 5.390 11.274 -7.634 1.00 1.00 C +ATOM 1189 OG1 THR A 78 4.622 10.295 -6.938 1.00 1.00 O +ATOM 1190 CG2 THR A 78 4.560 12.553 -7.511 1.00 1.00 C +ATOM 1191 H THR A 78 6.675 12.288 -9.757 1.00 1.00 H +ATOM 1192 HA THR A 78 5.529 9.663 -9.058 1.00 1.00 H +ATOM 1193 HB THR A 78 6.392 11.419 -7.231 1.00 1.00 H +ATOM 1194 HG1 THR A 78 3.985 10.742 -6.312 1.00 1.00 H +ATOM 1195 HG21 THR A 78 4.851 13.252 -8.294 1.00 1.00 H +ATOM 1196 HG22 THR A 78 3.501 12.311 -7.614 1.00 1.00 H +ATOM 1197 HG23 THR A 78 4.736 13.009 -6.535 1.00 1.00 H +ATOM 1198 N LEU A 79 3.179 10.284 -9.732 1.00 1.00 N +ATOM 1199 CA LEU A 79 1.935 10.495 -10.453 1.00 1.00 C +ATOM 1200 C LEU A 79 1.402 11.895 -10.143 1.00 1.00 C +ATOM 1201 O LEU A 79 1.016 12.631 -11.050 1.00 1.00 O +ATOM 1202 CB LEU A 79 0.940 9.376 -10.145 1.00 1.00 C +ATOM 1203 CG LEU A 79 -0.202 9.197 -11.146 1.00 1.00 C +ATOM 1204 CD1 LEU A 79 -1.054 10.465 -11.239 1.00 1.00 C +ATOM 1205 CD2 LEU A 79 0.332 8.764 -12.513 1.00 1.00 C +ATOM 1206 H LEU A 79 3.184 9.492 -9.122 1.00 1.00 H +ATOM 1207 HA LEU A 79 2.161 10.440 -11.518 1.00 1.00 H +ATOM 1208 HB2 LEU A 79 1.488 8.436 -10.078 1.00 1.00 H +ATOM 1209 HB3 LEU A 79 0.507 9.561 -9.160 1.00 1.00 H +ATOM 1210 HG LEU A 79 -0.851 8.398 -10.786 1.00 1.00 H +ATOM 1211 HD11 LEU A 79 -0.752 11.163 -10.457 1.00 1.00 H +ATOM 1212 HD12 LEU A 79 -0.909 10.927 -12.215 1.00 1.00 H +ATOM 1213 HD13 LEU A 79 -2.105 10.206 -11.111 1.00 1.00 H +ATOM 1214 HD21 LEU A 79 1.406 8.941 -12.557 1.00 1.00 H +ATOM 1215 HD22 LEU A 79 0.132 7.702 -12.661 1.00 1.00 H +ATOM 1216 HD23 LEU A 79 -0.163 9.339 -13.295 1.00 1.00 H +ATOM 1217 N ALA A 80 1.397 12.221 -8.858 1.00 1.00 N +ATOM 1218 CA ALA A 80 0.919 13.520 -8.417 1.00 1.00 C +ATOM 1219 C ALA A 80 1.470 14.604 -9.345 1.00 1.00 C +ATOM 1220 O ALA A 80 0.740 15.148 -10.172 1.00 1.00 O +ATOM 1221 CB ALA A 80 1.317 13.742 -6.957 1.00 1.00 C +ATOM 1222 H ALA A 80 1.713 11.616 -8.128 1.00 1.00 H +ATOM 1223 HA ALA A 80 -0.169 13.512 -8.488 1.00 1.00 H +ATOM 1224 HB1 ALA A 80 0.989 12.894 -6.358 1.00 1.00 H +ATOM 1225 HB2 ALA A 80 2.401 13.839 -6.888 1.00 1.00 H +ATOM 1226 HB3 ALA A 80 0.847 14.653 -6.587 1.00 1.00 H +ATOM 1227 N GLU A 81 2.755 14.885 -9.175 1.00 1.00 N +ATOM 1228 CA GLU A 81 3.412 15.895 -9.988 1.00 1.00 C +ATOM 1229 C GLU A 81 3.009 15.741 -11.455 1.00 1.00 C +ATOM 1230 O GLU A 81 3.003 16.716 -12.206 1.00 1.00 O +ATOM 1231 CB GLU A 81 4.932 15.824 -9.825 1.00 1.00 C +ATOM 1232 CG GLU A 81 5.444 16.966 -8.946 1.00 1.00 C +ATOM 1233 CD GLU A 81 5.186 18.323 -9.603 1.00 1.00 C +ATOM 1234 OE1 GLU A 81 5.238 18.367 -10.852 1.00 1.00 O +ATOM 1235 OE2 GLU A 81 4.942 19.285 -8.844 1.00 1.00 O +ATOM 1236 H GLU A 81 3.340 14.437 -8.500 1.00 1.00 H +ATOM 1237 HA GLU A 81 3.056 16.852 -9.603 1.00 1.00 H +ATOM 1238 HB2 GLU A 81 5.209 14.866 -9.383 1.00 1.00 H +ATOM 1239 HB3 GLU A 81 5.409 15.872 -10.805 1.00 1.00 H +ATOM 1240 HG2 GLU A 81 4.953 16.929 -7.974 1.00 1.00 H +ATOM 1241 HG3 GLU A 81 6.512 16.841 -8.768 1.00 1.00 H +ATOM 1242 N LEU A 82 2.681 14.510 -11.821 1.00 1.00 N +ATOM 1243 CA LEU A 82 2.278 14.218 -13.185 1.00 1.00 C +ATOM 1244 C LEU A 82 0.882 14.792 -13.434 1.00 1.00 C +ATOM 1245 O LEU A 82 0.681 15.559 -14.374 1.00 1.00 O +ATOM 1246 CB LEU A 82 2.385 12.718 -13.464 1.00 1.00 C +ATOM 1247 CG LEU A 82 2.470 12.315 -14.938 1.00 1.00 C +ATOM 1248 CD1 LEU A 82 3.699 11.442 -15.197 1.00 1.00 C +ATOM 1249 CD2 LEU A 82 1.178 11.635 -15.396 1.00 1.00 C +ATOM 1250 H LEU A 82 2.689 13.724 -11.204 1.00 1.00 H +ATOM 1251 HA LEU A 82 2.982 14.720 -13.849 1.00 1.00 H +ATOM 1252 HB2 LEU A 82 3.267 12.334 -12.951 1.00 1.00 H +ATOM 1253 HB3 LEU A 82 1.519 12.223 -13.023 1.00 1.00 H +ATOM 1254 HG LEU A 82 2.586 13.220 -15.534 1.00 1.00 H +ATOM 1255 HD11 LEU A 82 4.553 11.844 -14.651 1.00 1.00 H +ATOM 1256 HD12 LEU A 82 3.500 10.424 -14.861 1.00 1.00 H +ATOM 1257 HD13 LEU A 82 3.921 11.433 -16.264 1.00 1.00 H +ATOM 1258 HD21 LEU A 82 0.336 12.042 -14.837 1.00 1.00 H +ATOM 1259 HD22 LEU A 82 1.029 11.817 -16.461 1.00 1.00 H +ATOM 1260 HD23 LEU A 82 1.248 10.562 -15.218 1.00 1.00 H +ATOM 1261 N VAL A 83 -0.046 14.398 -12.575 1.00 1.00 N +ATOM 1262 CA VAL A 83 -1.418 14.864 -12.690 1.00 1.00 C +ATOM 1263 C VAL A 83 -1.473 16.358 -12.363 1.00 1.00 C +ATOM 1264 O VAL A 83 -2.183 17.116 -13.023 1.00 1.00 O +ATOM 1265 CB VAL A 83 -2.334 14.024 -11.798 1.00 1.00 C +ATOM 1266 CG1 VAL A 83 -3.359 14.904 -11.081 1.00 1.00 C +ATOM 1267 CG2 VAL A 83 -3.023 12.922 -12.604 1.00 1.00 C +ATOM 1268 H VAL A 83 0.125 13.775 -11.813 1.00 1.00 H +ATOM 1269 HA VAL A 83 -1.729 14.720 -13.724 1.00 1.00 H +ATOM 1270 HB VAL A 83 -1.714 13.546 -11.039 1.00 1.00 H +ATOM 1271 HG11 VAL A 83 -3.634 15.740 -11.723 1.00 1.00 H +ATOM 1272 HG12 VAL A 83 -4.247 14.314 -10.852 1.00 1.00 H +ATOM 1273 HG13 VAL A 83 -2.928 15.283 -10.153 1.00 1.00 H +ATOM 1274 HG21 VAL A 83 -3.489 13.357 -13.489 1.00 1.00 H +ATOM 1275 HG22 VAL A 83 -2.287 12.180 -12.911 1.00 1.00 H +ATOM 1276 HG23 VAL A 83 -3.787 12.446 -11.988 1.00 1.00 H +ATOM 1277 N HIS A 84 -0.715 16.739 -11.345 1.00 1.00 N +ATOM 1278 CA HIS A 84 -0.669 18.127 -10.923 1.00 1.00 C +ATOM 1279 C HIS A 84 -0.522 19.032 -12.148 1.00 1.00 C +ATOM 1280 O HIS A 84 -1.340 19.926 -12.366 1.00 1.00 O +ATOM 1281 CB HIS A 84 0.438 18.346 -9.890 1.00 1.00 C +ATOM 1282 CG HIS A 84 -0.067 18.713 -8.516 1.00 1.00 C +ATOM 1283 ND1 HIS A 84 -1.337 18.386 -8.071 1.00 1.00 N +ATOM 1284 CD2 HIS A 84 0.539 19.381 -7.492 1.00 1.00 C +ATOM 1285 CE1 HIS A 84 -1.477 18.842 -6.835 1.00 1.00 C +ATOM 1286 NE2 HIS A 84 -0.314 19.459 -6.478 1.00 1.00 N +ATOM 1287 H HIS A 84 -0.141 16.116 -10.814 1.00 1.00 H +ATOM 1288 HA HIS A 84 -1.622 18.339 -10.437 1.00 1.00 H +ATOM 1289 HB2 HIS A 84 1.036 17.437 -9.816 1.00 1.00 H +ATOM 1290 HB3 HIS A 84 1.102 19.135 -10.245 1.00 1.00 H +ATOM 1291 HD1 HIS A 84 -2.029 17.890 -8.595 1.00 1.00 H +ATOM 1292 HD2 HIS A 84 1.551 19.782 -7.505 1.00 1.00 H +ATOM 1293 HE1 HIS A 84 -2.367 18.742 -6.213 1.00 1.00 H +ATOM 1294 N HIS A 85 0.523 18.767 -12.918 1.00 1.00 N +ATOM 1295 CA HIS A 85 0.787 19.546 -14.116 1.00 1.00 C +ATOM 1296 C HIS A 85 -0.261 19.217 -15.183 1.00 1.00 C +ATOM 1297 O HIS A 85 -0.723 20.105 -15.897 1.00 1.00 O +ATOM 1298 CB HIS A 85 2.220 19.323 -14.605 1.00 1.00 C +ATOM 1299 CG HIS A 85 2.460 19.770 -16.026 1.00 1.00 C +ATOM 1300 ND1 HIS A 85 2.508 21.104 -16.395 1.00 1.00 N +ATOM 1301 CD2 HIS A 85 2.667 19.049 -17.165 1.00 1.00 C +ATOM 1302 CE1 HIS A 85 2.733 21.169 -17.699 1.00 1.00 C +ATOM 1303 NE2 HIS A 85 2.831 19.894 -18.174 1.00 1.00 N +ATOM 1304 H HIS A 85 1.183 18.039 -12.733 1.00 1.00 H +ATOM 1305 HA HIS A 85 0.690 20.595 -13.835 1.00 1.00 H +ATOM 1306 HB2 HIS A 85 2.904 19.858 -13.945 1.00 1.00 H +ATOM 1307 HB3 HIS A 85 2.460 18.263 -14.522 1.00 1.00 H +ATOM 1308 HD1 HIS A 85 2.393 21.886 -15.781 1.00 1.00 H +ATOM 1309 HD2 HIS A 85 2.693 17.961 -17.232 1.00 1.00 H +ATOM 1310 HE1 HIS A 85 2.824 22.081 -18.288 1.00 1.00 H +ATOM 1311 N HIS A 86 -0.604 17.941 -15.255 1.00 1.00 N +ATOM 1312 CA HIS A 86 -1.587 17.483 -16.221 1.00 1.00 C +ATOM 1313 C HIS A 86 -2.993 17.847 -15.734 1.00 1.00 C +ATOM 1314 O HIS A 86 -3.985 17.344 -16.261 1.00 1.00 O +ATOM 1315 CB HIS A 86 -1.423 15.988 -16.498 1.00 1.00 C +ATOM 1316 CG HIS A 86 -0.155 15.636 -17.236 1.00 1.00 C +ATOM 1317 ND1 HIS A 86 0.372 16.425 -18.244 1.00 1.00 N +ATOM 1318 CD2 HIS A 86 0.688 14.572 -17.101 1.00 1.00 C +ATOM 1319 CE1 HIS A 86 1.480 15.852 -18.688 1.00 1.00 C +ATOM 1320 NE2 HIS A 86 1.675 14.704 -17.981 1.00 1.00 N +ATOM 1321 H HIS A 86 -0.223 17.225 -14.670 1.00 1.00 H +ATOM 1322 HA HIS A 86 -1.385 18.017 -17.149 1.00 1.00 H +ATOM 1323 HB2 HIS A 86 -1.442 15.450 -15.551 1.00 1.00 H +ATOM 1324 HB3 HIS A 86 -2.278 15.641 -17.080 1.00 1.00 H +ATOM 1325 HD1 HIS A 86 -0.018 17.283 -18.579 1.00 1.00 H +ATOM 1326 HD2 HIS A 86 0.571 13.752 -16.393 1.00 1.00 H +ATOM 1327 HE1 HIS A 86 2.124 16.234 -19.482 1.00 1.00 H +ATOM 1328 N SER A 87 -3.031 18.714 -14.735 1.00 1.00 N +ATOM 1329 CA SER A 87 -4.298 19.151 -14.170 1.00 1.00 C +ATOM 1330 C SER A 87 -4.716 20.484 -14.791 1.00 1.00 C +ATOM 1331 O SER A 87 -5.904 20.791 -14.867 1.00 1.00 O +ATOM 1332 CB SER A 87 -4.208 19.277 -12.648 1.00 1.00 C +ATOM 1333 OG SER A 87 -5.475 19.554 -12.060 1.00 1.00 O +ATOM 1334 H SER A 87 -2.219 19.117 -14.311 1.00 1.00 H +ATOM 1335 HA SER A 87 -5.012 18.368 -14.427 1.00 1.00 H +ATOM 1336 HB2 SER A 87 -3.809 18.352 -12.229 1.00 1.00 H +ATOM 1337 HB3 SER A 87 -3.507 20.071 -12.391 1.00 1.00 H +ATOM 1338 HG SER A 87 -6.032 18.724 -12.039 1.00 1.00 H +ATOM 1339 N THR A 88 -3.716 21.242 -15.217 1.00 1.00 N +ATOM 1340 CA THR A 88 -3.964 22.535 -15.828 1.00 1.00 C +ATOM 1341 C THR A 88 -3.353 22.591 -17.230 1.00 1.00 C +ATOM 1342 O THR A 88 -3.838 23.317 -18.095 1.00 1.00 O +ATOM 1343 CB THR A 88 -3.424 23.614 -14.887 1.00 1.00 C +ATOM 1344 OG1 THR A 88 -2.055 23.264 -14.708 1.00 1.00 O +ATOM 1345 CG2 THR A 88 -4.021 23.517 -13.482 1.00 1.00 C +ATOM 1346 H THR A 88 -2.751 20.983 -15.151 1.00 1.00 H +ATOM 1347 HA THR A 88 -5.042 22.659 -15.945 1.00 1.00 H +ATOM 1348 HB THR A 88 -3.577 24.608 -15.308 1.00 1.00 H +ATOM 1349 HG1 THR A 88 -1.758 22.656 -15.444 1.00 1.00 H +ATOM 1350 HG21 THR A 88 -5.011 23.064 -13.539 1.00 1.00 H +ATOM 1351 HG22 THR A 88 -3.376 22.904 -12.855 1.00 1.00 H +ATOM 1352 HG23 THR A 88 -4.104 24.516 -13.053 1.00 1.00 H +ATOM 1353 N VAL A 89 -2.296 21.811 -17.410 1.00 1.00 N +ATOM 1354 CA VAL A 89 -1.613 21.762 -18.692 1.00 1.00 C +ATOM 1355 C VAL A 89 -1.310 20.305 -19.047 1.00 1.00 C +ATOM 1356 O VAL A 89 -0.193 19.833 -18.844 1.00 1.00 O +ATOM 1357 CB VAL A 89 -0.361 22.641 -18.652 1.00 1.00 C +ATOM 1358 CG1 VAL A 89 0.560 22.336 -19.834 1.00 1.00 C +ATOM 1359 CG2 VAL A 89 -0.734 24.124 -18.616 1.00 1.00 C +ATOM 1360 H VAL A 89 -1.908 21.223 -16.701 1.00 1.00 H +ATOM 1361 HA VAL A 89 -2.290 22.173 -19.441 1.00 1.00 H +ATOM 1362 HB VAL A 89 0.182 22.409 -17.735 1.00 1.00 H +ATOM 1363 HG11 VAL A 89 -0.024 21.906 -20.650 1.00 1.00 H +ATOM 1364 HG12 VAL A 89 1.034 23.257 -20.172 1.00 1.00 H +ATOM 1365 HG13 VAL A 89 1.326 21.625 -19.524 1.00 1.00 H +ATOM 1366 HG21 VAL A 89 -1.563 24.274 -17.923 1.00 1.00 H +ATOM 1367 HG22 VAL A 89 0.126 24.706 -18.283 1.00 1.00 H +ATOM 1368 HG23 VAL A 89 -1.030 24.449 -19.613 1.00 1.00 H +ATOM 1369 N ALA A 90 -2.325 19.634 -19.573 1.00 1.00 N +ATOM 1370 CA ALA A 90 -2.181 18.240 -19.959 1.00 1.00 C +ATOM 1371 C ALA A 90 -1.275 18.147 -21.188 1.00 1.00 C +ATOM 1372 O ALA A 90 -1.755 17.969 -22.306 1.00 1.00 O +ATOM 1373 CB ALA A 90 -3.563 17.633 -20.205 1.00 1.00 C +ATOM 1374 H ALA A 90 -3.230 20.027 -19.735 1.00 1.00 H +ATOM 1375 HA ALA A 90 -1.709 17.715 -19.129 1.00 1.00 H +ATOM 1376 HB1 ALA A 90 -4.248 18.412 -20.538 1.00 1.00 H +ATOM 1377 HB2 ALA A 90 -3.490 16.863 -20.973 1.00 1.00 H +ATOM 1378 HB3 ALA A 90 -3.937 17.191 -19.282 1.00 1.00 H +ATOM 1379 N ASP A 91 0.021 18.270 -20.940 1.00 1.00 N +ATOM 1380 CA ASP A 91 0.998 18.203 -22.013 1.00 1.00 C +ATOM 1381 C ASP A 91 1.246 16.737 -22.380 1.00 1.00 C +ATOM 1382 O ASP A 91 2.178 16.429 -23.120 1.00 1.00 O +ATOM 1383 CB ASP A 91 2.332 18.814 -21.582 1.00 1.00 C +ATOM 1384 CG ASP A 91 2.549 20.265 -22.018 1.00 1.00 C +ATOM 1385 OD1 ASP A 91 2.455 20.511 -23.239 1.00 1.00 O +ATOM 1386 OD2 ASP A 91 2.803 21.095 -21.118 1.00 1.00 O +ATOM 1387 H ASP A 91 0.403 18.415 -20.027 1.00 1.00 H +ATOM 1388 HA ASP A 91 0.561 18.770 -22.835 1.00 1.00 H +ATOM 1389 HB2 ASP A 91 2.406 18.762 -20.496 1.00 1.00 H +ATOM 1390 HB3 ASP A 91 3.140 18.205 -21.986 1.00 1.00 H +ATOM 1391 N GLY A 92 0.394 15.876 -21.844 1.00 1.00 N +ATOM 1392 CA GLY A 92 0.510 14.450 -22.105 1.00 1.00 C +ATOM 1393 C GLY A 92 -0.871 13.810 -22.265 1.00 1.00 C +ATOM 1394 O GLY A 92 -1.298 13.515 -23.381 1.00 1.00 O +ATOM 1395 H GLY A 92 -0.362 16.135 -21.243 1.00 1.00 H +ATOM 1396 HA2 GLY A 92 1.096 14.289 -23.009 1.00 1.00 H +ATOM 1397 HA3 GLY A 92 1.045 13.969 -21.286 1.00 1.00 H +ATOM 1398 N LEU A 93 -1.531 13.612 -21.133 1.00 1.00 N +ATOM 1399 CA LEU A 93 -2.854 13.010 -21.134 1.00 1.00 C +ATOM 1400 C LEU A 93 -3.830 13.936 -21.864 1.00 1.00 C +ATOM 1401 O LEU A 93 -3.652 15.153 -21.866 1.00 1.00 O +ATOM 1402 CB LEU A 93 -3.285 12.665 -19.707 1.00 1.00 C +ATOM 1403 CG LEU A 93 -2.207 12.056 -18.809 1.00 1.00 C +ATOM 1404 CD1 LEU A 93 -1.342 11.061 -19.587 1.00 1.00 C +ATOM 1405 CD2 LEU A 93 -1.366 13.148 -18.144 1.00 1.00 C +ATOM 1406 H LEU A 93 -1.177 13.853 -20.230 1.00 1.00 H +ATOM 1407 HA LEU A 93 -2.786 12.073 -21.687 1.00 1.00 H +ATOM 1408 HB2 LEU A 93 -3.657 13.572 -19.231 1.00 1.00 H +ATOM 1409 HB3 LEU A 93 -4.121 11.968 -19.762 1.00 1.00 H +ATOM 1410 HG LEU A 93 -2.700 11.499 -18.012 1.00 1.00 H +ATOM 1411 HD11 LEU A 93 -1.258 11.386 -20.625 1.00 1.00 H +ATOM 1412 HD12 LEU A 93 -0.349 11.014 -19.139 1.00 1.00 H +ATOM 1413 HD13 LEU A 93 -1.804 10.074 -19.552 1.00 1.00 H +ATOM 1414 HD21 LEU A 93 -1.812 14.122 -18.345 1.00 1.00 H +ATOM 1415 HD22 LEU A 93 -1.334 12.977 -17.068 1.00 1.00 H +ATOM 1416 HD23 LEU A 93 -0.353 13.122 -18.547 1.00 1.00 H +ATOM 1417 N ILE A 94 -4.837 13.324 -22.467 1.00 1.00 N +ATOM 1418 CA ILE A 94 -5.841 14.077 -23.200 1.00 1.00 C +ATOM 1419 C ILE A 94 -6.272 15.287 -22.367 1.00 1.00 C +ATOM 1420 O ILE A 94 -5.692 16.365 -22.485 1.00 1.00 O +ATOM 1421 CB ILE A 94 -7.000 13.167 -23.608 1.00 1.00 C +ATOM 1422 CG1 ILE A 94 -6.917 11.817 -22.894 1.00 1.00 C +ATOM 1423 CG2 ILE A 94 -7.062 13.009 -25.130 1.00 1.00 C +ATOM 1424 CD1 ILE A 94 -6.072 10.824 -23.694 1.00 1.00 C +ATOM 1425 H ILE A 94 -4.974 12.333 -22.461 1.00 1.00 H +ATOM 1426 HA ILE A 94 -5.375 14.437 -24.116 1.00 1.00 H +ATOM 1427 HB ILE A 94 -7.932 13.639 -23.297 1.00 1.00 H +ATOM 1428 HG12 ILE A 94 -6.485 11.953 -21.904 1.00 1.00 H +ATOM 1429 HG13 ILE A 94 -7.921 11.414 -22.752 1.00 1.00 H +ATOM 1430 HG21 ILE A 94 -6.100 13.280 -25.562 1.00 1.00 H +ATOM 1431 HG22 ILE A 94 -7.291 11.971 -25.377 1.00 1.00 H +ATOM 1432 HG23 ILE A 94 -7.838 13.658 -25.532 1.00 1.00 H +ATOM 1433 HD11 ILE A 94 -5.333 11.367 -24.284 1.00 1.00 H +ATOM 1434 HD12 ILE A 94 -5.563 10.146 -23.009 1.00 1.00 H +ATOM 1435 HD13 ILE A 94 -6.718 10.250 -24.360 1.00 1.00 H +ATOM 1436 N THR A 95 -7.288 15.067 -21.544 1.00 1.00 N +ATOM 1437 CA THR A 95 -7.803 16.124 -20.692 1.00 1.00 C +ATOM 1438 C THR A 95 -6.946 16.260 -19.432 1.00 1.00 C +ATOM 1439 O THR A 95 -5.921 15.593 -19.299 1.00 1.00 O +ATOM 1440 CB THR A 95 -9.273 15.820 -20.399 1.00 1.00 C +ATOM 1441 OG1 THR A 95 -9.635 16.779 -19.408 1.00 1.00 O +ATOM 1442 CG2 THR A 95 -9.464 14.473 -19.699 1.00 1.00 C +ATOM 1443 H THR A 95 -7.754 14.186 -21.455 1.00 1.00 H +ATOM 1444 HA THR A 95 -7.727 17.067 -21.233 1.00 1.00 H +ATOM 1445 HB THR A 95 -9.871 15.874 -21.308 1.00 1.00 H +ATOM 1446 HG1 THR A 95 -10.619 16.736 -19.233 1.00 1.00 H +ATOM 1447 HG21 THR A 95 -8.523 14.162 -19.245 1.00 1.00 H +ATOM 1448 HG22 THR A 95 -10.226 14.570 -18.924 1.00 1.00 H +ATOM 1449 HG23 THR A 95 -9.780 13.726 -20.427 1.00 1.00 H +ATOM 1450 N THR A 96 -7.399 17.126 -18.539 1.00 1.00 N +ATOM 1451 CA THR A 96 -6.688 17.356 -17.292 1.00 1.00 C +ATOM 1452 C THR A 96 -7.570 16.992 -16.098 1.00 1.00 C +ATOM 1453 O THR A 96 -8.637 17.574 -15.908 1.00 1.00 O +ATOM 1454 CB THR A 96 -6.220 18.814 -17.279 1.00 1.00 C +ATOM 1455 OG1 THR A 96 -7.401 19.556 -16.988 1.00 1.00 O +ATOM 1456 CG2 THR A 96 -5.802 19.308 -18.665 1.00 1.00 C +ATOM 1457 H THR A 96 -8.235 17.663 -18.654 1.00 1.00 H +ATOM 1458 HA THR A 96 -5.821 16.697 -17.264 1.00 1.00 H +ATOM 1459 HB THR A 96 -5.417 18.958 -16.557 1.00 1.00 H +ATOM 1460 HG1 THR A 96 -7.445 19.760 -16.010 1.00 1.00 H +ATOM 1461 HG21 THR A 96 -5.783 18.468 -19.359 1.00 1.00 H +ATOM 1462 HG22 THR A 96 -6.516 20.054 -19.016 1.00 1.00 H +ATOM 1463 HG23 THR A 96 -4.809 19.754 -18.608 1.00 1.00 H +ATOM 1464 N LEU A 97 -7.092 16.029 -15.322 1.00 1.00 N +ATOM 1465 CA LEU A 97 -7.826 15.578 -14.152 1.00 1.00 C +ATOM 1466 C LEU A 97 -8.842 16.649 -13.748 1.00 1.00 C +ATOM 1467 O LEU A 97 -8.538 17.839 -13.778 1.00 1.00 O +ATOM 1468 CB LEU A 97 -6.858 15.195 -13.029 1.00 1.00 C +ATOM 1469 CG LEU A 97 -5.551 14.531 -13.468 1.00 1.00 C +ATOM 1470 CD1 LEU A 97 -5.809 13.461 -14.531 1.00 1.00 C +ATOM 1471 CD2 LEU A 97 -4.538 15.575 -13.941 1.00 1.00 C +ATOM 1472 H LEU A 97 -6.223 15.561 -15.484 1.00 1.00 H +ATOM 1473 HA LEU A 97 -8.368 14.676 -14.432 1.00 1.00 H +ATOM 1474 HB2 LEU A 97 -6.614 16.094 -12.463 1.00 1.00 H +ATOM 1475 HB3 LEU A 97 -7.374 14.519 -12.347 1.00 1.00 H +ATOM 1476 HG LEU A 97 -5.116 14.029 -12.604 1.00 1.00 H +ATOM 1477 HD11 LEU A 97 -6.703 13.720 -15.099 1.00 1.00 H +ATOM 1478 HD12 LEU A 97 -4.954 13.404 -15.203 1.00 1.00 H +ATOM 1479 HD13 LEU A 97 -5.955 12.496 -14.046 1.00 1.00 H +ATOM 1480 HD21 LEU A 97 -4.848 16.563 -13.599 1.00 1.00 H +ATOM 1481 HD22 LEU A 97 -3.556 15.341 -13.531 1.00 1.00 H +ATOM 1482 HD23 LEU A 97 -4.488 15.566 -15.030 1.00 1.00 H +ATOM 1483 N HIS A 98 -10.026 16.185 -13.380 1.00 1.00 N +ATOM 1484 CA HIS A 98 -11.089 17.088 -12.971 1.00 1.00 C +ATOM 1485 C HIS A 98 -11.819 16.505 -11.758 1.00 1.00 C +ATOM 1486 O HIS A 98 -12.219 17.242 -10.859 1.00 1.00 O +ATOM 1487 CB HIS A 98 -12.029 17.386 -14.140 1.00 1.00 C +ATOM 1488 CG HIS A 98 -13.095 18.408 -13.827 1.00 1.00 C +ATOM 1489 ND1 HIS A 98 -12.802 19.673 -13.347 1.00 1.00 N +ATOM 1490 CD2 HIS A 98 -14.454 18.341 -13.932 1.00 1.00 C +ATOM 1491 CE1 HIS A 98 -13.941 20.327 -13.174 1.00 1.00 C +ATOM 1492 NE2 HIS A 98 -14.963 19.501 -13.536 1.00 1.00 N +ATOM 1493 H HIS A 98 -10.265 15.215 -13.359 1.00 1.00 H +ATOM 1494 HA HIS A 98 -10.611 18.023 -12.683 1.00 1.00 H +ATOM 1495 HB2 HIS A 98 -11.439 17.737 -14.988 1.00 1.00 H +ATOM 1496 HB3 HIS A 98 -12.510 16.458 -14.453 1.00 1.00 H +ATOM 1497 HD1 HIS A 98 -11.887 20.032 -13.163 1.00 1.00 H +ATOM 1498 HD2 HIS A 98 -15.024 17.480 -14.281 1.00 1.00 H +ATOM 1499 HE1 HIS A 98 -14.042 21.349 -12.805 1.00 1.00 H +ATOM 1500 N TYR A 99 -11.968 15.189 -11.773 1.00 1.00 N +ATOM 1501 CA TYR A 99 -12.642 14.501 -10.685 1.00 1.00 C +ATOM 1502 C TYR A 99 -11.712 13.481 -10.023 1.00 1.00 C +ATOM 1503 O TYR A 99 -11.443 12.422 -10.587 1.00 1.00 O +ATOM 1504 CB TYR A 99 -13.820 13.760 -11.320 1.00 1.00 C +ATOM 1505 CG TYR A 99 -15.036 14.648 -11.597 1.00 1.00 C +ATOM 1506 CD1 TYR A 99 -15.901 14.969 -10.571 1.00 1.00 C +ATOM 1507 CD2 TYR A 99 -15.267 15.126 -12.870 1.00 1.00 C +ATOM 1508 CE1 TYR A 99 -17.047 15.804 -10.830 1.00 1.00 C +ATOM 1509 CE2 TYR A 99 -16.411 15.960 -13.130 1.00 1.00 C +ATOM 1510 CZ TYR A 99 -17.244 16.257 -12.096 1.00 1.00 C +ATOM 1511 OH TYR A 99 -18.325 17.047 -12.341 1.00 1.00 O +ATOM 1512 H TYR A 99 -11.638 14.599 -12.509 1.00 1.00 H +ATOM 1513 HA TYR A 99 -12.937 15.246 -9.946 1.00 1.00 H +ATOM 1514 HB2 TYR A 99 -13.491 13.311 -12.257 1.00 1.00 H +ATOM 1515 HB3 TYR A 99 -14.120 12.944 -10.663 1.00 1.00 H +ATOM 1516 HD1 TYR A 99 -15.720 14.591 -9.564 1.00 1.00 H +ATOM 1517 HD2 TYR A 99 -14.582 14.872 -13.680 1.00 1.00 H +ATOM 1518 HE1 TYR A 99 -17.739 16.066 -10.030 1.00 1.00 H +ATOM 1519 HE2 TYR A 99 -16.605 16.345 -14.131 1.00 1.00 H +ATOM 1520 HH TYR A 99 -18.872 17.144 -11.510 1.00 1.00 H +ATOM 1521 N PRO A 100 -11.234 13.847 -8.803 1.00 1.00 N +ATOM 1522 CA PRO A 100 -10.341 12.977 -8.057 1.00 1.00 C +ATOM 1523 C PRO A 100 -11.105 11.802 -7.445 1.00 1.00 C +ATOM 1524 O PRO A 100 -11.442 11.826 -6.262 1.00 1.00 O +ATOM 1525 CB PRO A 100 -9.697 13.875 -7.015 1.00 1.00 C +ATOM 1526 CG PRO A 100 -10.590 15.101 -6.910 1.00 1.00 C +ATOM 1527 CD PRO A 100 -11.532 15.094 -8.104 1.00 1.00 C +ATOM 1528 HA PRO A 100 -9.661 12.571 -8.668 1.00 1.00 H +ATOM 1529 HB2 PRO A 100 -9.619 13.366 -6.054 1.00 1.00 H +ATOM 1530 HB3 PRO A 100 -8.685 14.154 -7.310 1.00 1.00 H +ATOM 1531 HG2 PRO A 100 -11.155 15.082 -5.978 1.00 1.00 H +ATOM 1532 HG3 PRO A 100 -9.991 16.010 -6.901 1.00 1.00 H +ATOM 1533 HD2 PRO A 100 -12.574 15.132 -7.787 1.00 1.00 H +ATOM 1534 HD3 PRO A 100 -11.363 15.959 -8.745 1.00 1.00 H +ATOM 1535 N ALA A 101 -11.355 10.801 -8.277 1.00 1.00 N +ATOM 1536 CA ALA A 101 -12.073 9.620 -7.831 1.00 1.00 C +ATOM 1537 C ALA A 101 -11.404 9.066 -6.571 1.00 1.00 C +ATOM 1538 O ALA A 101 -10.306 8.515 -6.639 1.00 1.00 O +ATOM 1539 CB ALA A 101 -12.121 8.593 -8.965 1.00 1.00 C +ATOM 1540 H ALA A 101 -11.076 10.790 -9.237 1.00 1.00 H +ATOM 1541 HA ALA A 101 -13.092 9.922 -7.588 1.00 1.00 H +ATOM 1542 HB1 ALA A 101 -11.376 8.850 -9.719 1.00 1.00 H +ATOM 1543 HB2 ALA A 101 -11.907 7.602 -8.568 1.00 1.00 H +ATOM 1544 HB3 ALA A 101 -13.112 8.597 -9.418 1.00 1.00 H +ATOM 1545 N PRO A 102 -12.112 9.236 -5.423 1.00 1.00 N +ATOM 1546 CA PRO A 102 -11.599 8.760 -4.149 1.00 1.00 C +ATOM 1547 C PRO A 102 -11.724 7.239 -4.042 1.00 1.00 C +ATOM 1548 O PRO A 102 -12.830 6.701 -4.058 1.00 1.00 O +ATOM 1549 CB PRO A 102 -12.408 9.500 -3.097 1.00 1.00 C +ATOM 1550 CG PRO A 102 -13.652 10.007 -3.809 1.00 1.00 C +ATOM 1551 CD PRO A 102 -13.414 9.884 -5.305 1.00 1.00 C +ATOM 1552 HA PRO A 102 -10.621 8.959 -4.073 1.00 1.00 H +ATOM 1553 HB2 PRO A 102 -12.673 8.836 -2.272 1.00 1.00 H +ATOM 1554 HB3 PRO A 102 -11.837 10.325 -2.672 1.00 1.00 H +ATOM 1555 HG2 PRO A 102 -14.526 9.427 -3.512 1.00 1.00 H +ATOM 1556 HG3 PRO A 102 -13.850 11.044 -3.539 1.00 1.00 H +ATOM 1557 HD2 PRO A 102 -14.195 9.293 -5.782 1.00 1.00 H +ATOM 1558 HD3 PRO A 102 -13.416 10.862 -5.788 1.00 1.00 H +ATOM 1559 N LYS A 103 -10.574 6.588 -3.935 1.00 1.00 N +ATOM 1560 CA LYS A 103 -10.542 5.140 -3.825 1.00 1.00 C +ATOM 1561 C LYS A 103 -10.571 4.744 -2.347 1.00 1.00 C +ATOM 1562 O LYS A 103 -9.625 4.138 -1.844 1.00 1.00 O +ATOM 1563 CB LYS A 103 -9.346 4.572 -4.591 1.00 1.00 C +ATOM 1564 CG LYS A 103 -8.956 5.484 -5.755 1.00 1.00 C +ATOM 1565 CD LYS A 103 -10.148 5.730 -6.681 1.00 1.00 C +ATOM 1566 CE LYS A 103 -10.877 4.422 -6.997 1.00 1.00 C +ATOM 1567 NZ LYS A 103 -12.098 4.687 -7.790 1.00 1.00 N +ATOM 1568 H LYS A 103 -9.679 7.034 -3.923 1.00 1.00 H +ATOM 1569 HA LYS A 103 -11.443 4.756 -4.303 1.00 1.00 H +ATOM 1570 HB2 LYS A 103 -8.497 4.456 -3.915 1.00 1.00 H +ATOM 1571 HB3 LYS A 103 -9.589 3.578 -4.966 1.00 1.00 H +ATOM 1572 HG2 LYS A 103 -8.588 6.435 -5.370 1.00 1.00 H +ATOM 1573 HG3 LYS A 103 -8.141 5.031 -6.318 1.00 1.00 H +ATOM 1574 HD2 LYS A 103 -10.839 6.431 -6.213 1.00 1.00 H +ATOM 1575 HD3 LYS A 103 -9.806 6.192 -7.607 1.00 1.00 H +ATOM 1576 HE2 LYS A 103 -10.215 3.754 -7.549 1.00 1.00 H +ATOM 1577 HE3 LYS A 103 -11.142 3.914 -6.070 1.00 1.00 H +ATOM 1578 HZ1 LYS A 103 -11.875 5.296 -8.551 1.00 1.00 H +ATOM 1579 HZ2 LYS A 103 -12.457 3.826 -8.146 1.00 1.00 H +ATOM 1580 HZ3 LYS A 103 -12.786 5.120 -7.208 1.00 1.00 H +ATOM 1581 N ARG A 104 -11.665 5.104 -1.692 1.00 1.00 N +ATOM 1582 CA ARG A 104 -11.829 4.794 -0.282 1.00 1.00 C +ATOM 1583 C ARG A 104 -12.075 3.296 -0.093 1.00 1.00 C +ATOM 1584 O ARG A 104 -13.039 2.748 -0.626 1.00 1.00 O +ATOM 1585 CB ARG A 104 -12.999 5.575 0.320 1.00 1.00 C +ATOM 1586 CG ARG A 104 -12.635 6.129 1.699 1.00 1.00 C +ATOM 1587 CD ARG A 104 -13.849 6.119 2.632 1.00 1.00 C +ATOM 1588 NE ARG A 104 -14.629 7.365 2.461 1.00 1.00 N +ATOM 1589 CZ ARG A 104 -15.586 7.774 3.305 1.00 1.00 C +ATOM 1590 NH1 ARG A 104 -15.887 7.038 4.384 1.00 1.00 N +ATOM 1591 NH2 ARG A 104 -16.241 8.919 3.070 1.00 1.00 N +ATOM 1592 H ARG A 104 -12.430 5.597 -2.108 1.00 1.00 H +ATOM 1593 HA ARG A 104 -10.892 5.101 0.181 1.00 1.00 H +ATOM 1594 HB2 ARG A 104 -13.273 6.394 -0.343 1.00 1.00 H +ATOM 1595 HB3 ARG A 104 -13.870 4.926 0.403 1.00 1.00 H +ATOM 1596 HG2 ARG A 104 -11.833 5.533 2.135 1.00 1.00 H +ATOM 1597 HG3 ARG A 104 -12.258 7.147 1.599 1.00 1.00 H +ATOM 1598 HD2 ARG A 104 -14.477 5.255 2.415 1.00 1.00 H +ATOM 1599 HD3 ARG A 104 -13.521 6.023 3.666 1.00 1.00 H +ATOM 1600 HE ARG A 104 -14.430 7.937 1.666 1.00 1.00 H +ATOM 1601 HH11 ARG A 104 -15.398 6.183 4.558 1.00 1.00 H +ATOM 1602 HH12 ARG A 104 -16.601 7.344 5.013 1.00 1.00 H +ATOM 1603 HH21 ARG A 104 -16.016 9.468 2.266 1.00 1.00 H +ATOM 1604 HH22 ARG A 104 -16.956 9.224 3.701 1.00 1.00 H +ATOM 1605 N GLY A 105 -11.185 2.674 0.667 1.00 1.00 N +ATOM 1606 CA GLY A 105 -11.292 1.251 0.934 1.00 1.00 C +ATOM 1607 C GLY A 105 -11.294 0.972 2.438 1.00 1.00 C +ATOM 1608 O GLY A 105 -11.025 1.866 3.238 1.00 1.00 O +ATOM 1609 H GLY A 105 -10.402 3.128 1.096 1.00 1.00 H +ATOM 1610 HA2 GLY A 105 -12.207 0.861 0.486 1.00 1.00 H +ATOM 1611 HA3 GLY A 105 -10.460 0.725 0.464 1.00 1.00 H +ATOM 1612 N ILE A 106 -11.600 -0.271 2.777 1.00 1.00 N +ATOM 1613 CA ILE A 106 -11.642 -0.679 4.172 1.00 1.00 C +ATOM 1614 C ILE A 106 -10.215 -0.915 4.671 1.00 1.00 C +ATOM 1615 O ILE A 106 -9.793 -0.318 5.660 1.00 1.00 O +ATOM 1616 CB ILE A 106 -12.564 -1.886 4.350 1.00 1.00 C +ATOM 1617 CG1 ILE A 106 -12.849 -2.144 5.831 1.00 1.00 C +ATOM 1618 CG2 ILE A 106 -11.991 -3.121 3.653 1.00 1.00 C +ATOM 1619 CD1 ILE A 106 -13.977 -3.165 6.003 1.00 1.00 C +ATOM 1620 H ILE A 106 -11.819 -0.993 2.119 1.00 1.00 H +ATOM 1621 HA ILE A 106 -12.075 0.144 4.739 1.00 1.00 H +ATOM 1622 HB ILE A 106 -13.519 -1.660 3.873 1.00 1.00 H +ATOM 1623 HG12 ILE A 106 -11.947 -2.508 6.320 1.00 1.00 H +ATOM 1624 HG13 ILE A 106 -13.124 -1.209 6.319 1.00 1.00 H +ATOM 1625 HG21 ILE A 106 -11.648 -2.850 2.655 1.00 1.00 H +ATOM 1626 HG22 ILE A 106 -11.153 -3.509 4.234 1.00 1.00 H +ATOM 1627 HG23 ILE A 106 -12.765 -3.886 3.576 1.00 1.00 H +ATOM 1628 HD11 ILE A 106 -13.952 -3.875 5.177 1.00 1.00 H +ATOM 1629 HD12 ILE A 106 -13.844 -3.697 6.945 1.00 1.00 H +ATOM 1630 HD13 ILE A 106 -14.937 -2.648 6.009 1.00 1.00 H +ATOM 1631 N HIS A 107 -9.512 -1.787 3.964 1.00 1.00 N +ATOM 1632 CA HIS A 107 -8.141 -2.110 4.323 1.00 1.00 C +ATOM 1633 C HIS A 107 -7.546 -3.056 3.279 1.00 1.00 C +ATOM 1634 O HIS A 107 -6.434 -2.838 2.800 1.00 1.00 O +ATOM 1635 CB HIS A 107 -8.072 -2.676 5.744 1.00 1.00 C +ATOM 1636 CG HIS A 107 -8.452 -4.133 5.844 1.00 1.00 C +ATOM 1637 ND1 HIS A 107 -7.518 -5.155 5.815 1.00 1.00 N +ATOM 1638 CD2 HIS A 107 -9.671 -4.730 5.972 1.00 1.00 C +ATOM 1639 CE1 HIS A 107 -8.158 -6.310 5.922 1.00 1.00 C +ATOM 1640 NE2 HIS A 107 -9.492 -6.044 6.019 1.00 1.00 N +ATOM 1641 H HIS A 107 -9.863 -2.268 3.160 1.00 1.00 H +ATOM 1642 HA HIS A 107 -7.585 -1.172 4.310 1.00 1.00 H +ATOM 1643 HB2 HIS A 107 -7.058 -2.547 6.125 1.00 1.00 H +ATOM 1644 HB3 HIS A 107 -8.730 -2.094 6.388 1.00 1.00 H +ATOM 1645 HD1 HIS A 107 -6.528 -5.041 5.729 1.00 1.00 H +ATOM 1646 HD2 HIS A 107 -10.630 -4.214 6.029 1.00 1.00 H +ATOM 1647 HE1 HIS A 107 -7.699 -7.298 5.932 1.00 1.00 H +ATOM 1648 N ARG A 108 -8.313 -4.087 2.955 1.00 1.00 N +ATOM 1649 CA ARG A 108 -7.875 -5.066 1.976 1.00 1.00 C +ATOM 1650 C ARG A 108 -7.117 -4.379 0.837 1.00 1.00 C +ATOM 1651 O ARG A 108 -7.716 -3.677 0.024 1.00 1.00 O +ATOM 1652 CB ARG A 108 -9.065 -5.835 1.396 1.00 1.00 C +ATOM 1653 CG ARG A 108 -9.047 -7.296 1.849 1.00 1.00 C +ATOM 1654 CD ARG A 108 -10.194 -7.582 2.820 1.00 1.00 C +ATOM 1655 NE ARG A 108 -10.358 -9.042 2.996 1.00 1.00 N +ATOM 1656 CZ ARG A 108 -9.562 -9.800 3.761 1.00 1.00 C +ATOM 1657 NH1 ARG A 108 -8.543 -9.242 4.427 1.00 1.00 N +ATOM 1658 NH2 ARG A 108 -9.785 -11.119 3.859 1.00 1.00 N +ATOM 1659 H ARG A 108 -9.217 -4.256 3.349 1.00 1.00 H +ATOM 1660 HA ARG A 108 -7.224 -5.741 2.529 1.00 1.00 H +ATOM 1661 HB2 ARG A 108 -9.996 -5.364 1.711 1.00 1.00 H +ATOM 1662 HB3 ARG A 108 -9.036 -5.788 0.307 1.00 1.00 H +ATOM 1663 HG2 ARG A 108 -9.130 -7.950 0.981 1.00 1.00 H +ATOM 1664 HG3 ARG A 108 -8.095 -7.520 2.329 1.00 1.00 H +ATOM 1665 HD2 ARG A 108 -9.993 -7.113 3.783 1.00 1.00 H +ATOM 1666 HD3 ARG A 108 -11.120 -7.147 2.441 1.00 1.00 H +ATOM 1667 HE ARG A 108 -11.109 -9.491 2.510 1.00 1.00 H +ATOM 1668 HH11 ARG A 108 -8.375 -8.259 4.353 1.00 1.00 H +ATOM 1669 HH12 ARG A 108 -7.949 -9.809 4.999 1.00 1.00 H +ATOM 1670 HH21 ARG A 108 -10.545 -11.536 3.361 1.00 1.00 H +ATOM 1671 HH22 ARG A 108 -9.191 -11.686 4.431 1.00 1.00 H +ATOM 1672 N ASP A 109 -5.812 -4.605 0.818 1.00 1.00 N +ATOM 1673 CA ASP A 109 -4.966 -4.015 -0.206 1.00 1.00 C +ATOM 1674 C ASP A 109 -5.207 -4.732 -1.536 1.00 1.00 C +ATOM 1675 O ASP A 109 -6.263 -5.391 -1.642 1.00 1.00 O +ATOM 1676 CB ASP A 109 -3.486 -4.163 0.151 1.00 1.00 C +ATOM 1677 CG ASP A 109 -2.557 -3.144 -0.511 1.00 1.00 C +ATOM 1678 OD1 ASP A 109 -2.680 -2.850 -1.710 1.00 1.00 O +ATOM 1679 OD2 ASP A 109 -1.663 -2.634 0.267 1.00 1.00 O +ATOM 1680 OXT ASP A 109 -4.385 -4.651 -2.446 1.00 1.00 O +ATOM 1681 H ASP A 109 -5.333 -5.177 1.484 1.00 1.00 H +ATOM 1682 HA ASP A 109 -5.251 -2.963 -0.242 1.00 1.00 H +ATOM 1683 HB2 ASP A 109 -3.378 -4.083 1.232 1.00 1.00 H +ATOM 1684 HB3 ASP A 109 -3.159 -5.165 -0.129 1.00 1.00 H +TER 1685 ASP A 109 +ENDMDL +MASTER 486 0 0 2 9 0 0 633680 20 0 9 +END diff --git a/Mobi/Tests/data/TMScore b/Mobi/Tests/data/TMScore new file mode 100755 index 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zk!l~{t>82X23*Fd&4iQdKDpP5Q#Jy(tF*Lw%9Im~ou*fMyOm~V0RUW7rP4)z<7f!z zLIP5PL@N{7ZYRGAT}t7EjHhNy@kXi0+rD`*p4di%R%ctn*xkrpci{<6?n(kOjw9@n zjGHO9$5jJ#IYkLeiml3o_HcU8w&TO8tdf1j@YQS?q+C&b=%e=jyU60kC^+)(%o@q} z6~uK}tWld>EC{STj-5wQD0pop7QtMW{t(DmM{6drR-X^b>O9#rASKX7 Date: Sun, 21 Jun 2015 21:03:25 +0200 Subject: [PATCH 12/25] Pre-change Spacer return in tms --- Mobi/Sources/ProteinModel.cc | 3 +- Mobi/Sources/TMScoreBin.cc | 47 ++++++++++++++++++++++--- Mobi/Sources/TMScoreBin.h | 1 + Mobi/Sources/VectorCollection.h | 2 +- Mobi/Tests/TestMobi.cc | 4 +-- Mobi/Tests/TestTM.h | 57 ++++++++++++++----------------- Mobi/Tests/TestVectorCollection.h | 18 +++------- 7 files changed, 79 insertions(+), 53 deletions(-) diff --git a/Mobi/Sources/ProteinModel.cc b/Mobi/Sources/ProteinModel.cc index d1293ca..a84a66d 100644 --- a/Mobi/Sources/ProteinModel.cc +++ b/Mobi/Sources/ProteinModel.cc @@ -52,7 +52,8 @@ void ProteinModel::load(PdbLoader& pl, char chain, vector models){ } void ProteinModel::load(PdbLoader& pl){ - for(unsigned int i = 1; i+1 < pl.getMaxModels(); i++){ + cout << "LOAD" << endl; + for(unsigned int i = 1; i <= pl.getMaxModels(); i++){ cout << "\t>>>model#" << i << endl; pl.setModel(i); pl.checkModel(); diff --git a/Mobi/Sources/TMScoreBin.cc b/Mobi/Sources/TMScoreBin.cc index cb8652a..ecc919a 100644 --- a/Mobi/Sources/TMScoreBin.cc +++ b/Mobi/Sources/TMScoreBin.cc @@ -29,6 +29,7 @@ #include #include #include +#include using namespace Victor::Mobi; using namespace Victor::Biopool; @@ -61,6 +62,7 @@ double TMScoreBin::tms(ProteinModel& prot, unsigned int model, unsigned int nati } double TMScoreBin::tms(string modelFile, string nativeFile, Spacer** imposedModel){ + double score = -1; if (access(modelFile.c_str(), R_OK) == 0 && access(nativeFile.c_str(), R_OK) == 0){ if(access(binary.c_str(), X_OK) == 0){ pid_t pid; @@ -88,11 +90,12 @@ double TMScoreBin::tms(string modelFile, string nativeFile, Spacer** imposedMode while (tok != NULL){ if (string(tok).find("TM-score") == 0) if (string(tok).find("=") > 0) - return std::strtod(string(tok).substr(string(tok).find("=")+2,6).c_str(),NULL); + score = std::strtod(string(tok).substr(string(tok).find("=")+2,6).c_str(),NULL); tok = strtok(NULL,"\n\r"); } } - ERROR("TM-score failed or non recognised output", exception) + if (score < 0) + ERROR("TM-score failed or non recognised output", exception) } } } @@ -102,9 +105,45 @@ double TMScoreBin::tms(string modelFile, string nativeFile, Spacer** imposedMode else ERROR("No access to pdb files " + modelFile + " or " + nativeFile, exception); + TMScoreBin::spacerFromTMOutput(tmp + TMTMP_OUT + "_atm", imposedModel); + cout << "SizeAmino di &(**spacer) in tms=" << (**imposedModel).size() << endl; + return score; +} - return 0; +void TMScoreBin::spacerFromTMOutput(string pdbFile, Spacer** spacer){ + if (access(pdbFile.c_str(), R_OK) != 0) + ERROR("Cannot read pdb file to fix",exception); + cout << "spacerFromTM" << endl; + ifstream inFile(pdbFile.c_str()); + stringstream buffer; + string line; + while (inFile){ + line = readLine(inFile); + if (line.substr(0,16) == "REMARK TM-score"){ + buffer << line << endl; + if (line.substr(6,8) == "TM-score") + buffer << "MODEL 1" << endl; + }else if (line.substr(0,6) == "ATOM "){ + buffer << line << endl; + }else if (line.substr(0,3) == "TER"){ + buffer << line << endl; + buffer << "ENDMDL" << endl; + break; + } + } + buffer.clear(); + buffer.seekg(0); + + PdbLoader pl(buffer); + ProteinModel pm; + pl.setModel(1); + pl.loadProtein(pm); + cout << "&(*spacer)=" << spacer << endl; + cout << "&(**spacer)=" << (*spacer) << endl << "Assegnazione..." << endl; + *spacer = new Spacer(pm.getModel(0)); + cout << "&(*spacer)=" << spacer << endl; + cout << "&(**spacer)=" << (*spacer) << endl; + cout << "SizeAmino di &(**spacer) in spacerFrom...=" << (**spacer).size() << endl; } - diff --git a/Mobi/Sources/TMScoreBin.h b/Mobi/Sources/TMScoreBin.h index eaaa18d..a0daecc 100644 --- a/Mobi/Sources/TMScoreBin.h +++ b/Mobi/Sources/TMScoreBin.h @@ -40,6 +40,7 @@ namespace Victor { namespace Mobi { virtual double tms(string modelFile, string nativeFile, Spacer** imposedModel); virtual double tms(ProteinModel& prot, unsigned int model, unsigned int native, Spacer** imposedModel); + static void spacerFromTMOutput(string pdbFile, Spacer** spacer); virtual ~TMScoreBin(){}; diff --git a/Mobi/Sources/VectorCollection.h b/Mobi/Sources/VectorCollection.h index 3bffc10..3e4b4f9 100644 --- a/Mobi/Sources/VectorCollection.h +++ b/Mobi/Sources/VectorCollection.h @@ -114,7 +114,7 @@ class VectorCollection{ sd[a] += pow(it->second[a] - mean[a],2); for (unsigned int a = 0; a < this->vectorsSize(); a++) sd[a] = sqrt(sd[a] / this->size()); - return mean; + return sd; } protected: diff --git a/Mobi/Tests/TestMobi.cc b/Mobi/Tests/TestMobi.cc index ed84244..df8c60a 100644 --- a/Mobi/Tests/TestMobi.cc +++ b/Mobi/Tests/TestMobi.cc @@ -22,8 +22,8 @@ int main() { runner.addTest(TestVectorCollection::suite()); runner.addTest(TestProteinModel::suite()); runner.addTest(TestTM::suite()); - cout<< "Running the unit tests."< #include +#include #include using namespace std; @@ -50,44 +51,38 @@ class TestTM : public CppUnit::TestFixture { ifstream inFile(inputFile.c_str()); if (!inFile) ERROR("Input file not found.", exception); + //models to load + vector models = vector(); + models.push_back(1); + models.push_back(2); + //loading models PdbLoader pl(inFile); pl.setNoVerbose(); - ProteinModel prot; - vector models = vector(); - models.push_back(1); - models.push_back(2); + ProteinModel prot; cout << "Loading models 1 and 2" << endl; prot.load(pl,0,models); + + //calling TMScore bin cout << "TM Score binary call" << endl; TMScoreBin tmsb = TMScoreBin(TMDir+"TMScore", TMDir); - Spacer* sp; -// double score = tmsb.tms(prot,0,1,&sp); -// cout << "Score is " << score << endl; -// CPPUNIT_ASSERT(score > 0 && score < 1); - - ifstream outFile((TMDir + TMTMP_OUT + "_atm").c_str()); - //while (outFile) - // cout << readLine(outFile); - - - PdbLoader pl2(outFile); - cout << pl2.getMaxModels() << " models" << endl; - pl2.setModel(2); - pl2.checkModel(); - ProteinModel prot2; - models.clear(); - models.push_back(2); - prot2.load(pl2); - -// CPPUNIT_ASSERT(prot.size() == 3); -// Spacer m1 = prot.getModel(0); -// Spacer m2 = prot.getModel(1); -// Spacer m3 = prot.getModel(2); -// CPPUNIT_ASSERT(m1.getAmino(0).getType() == "GLY"); -// CPPUNIT_ASSERT(m2.getAmino(1).getType() == "SER"); -// CPPUNIT_ASSERT(m3.getAmino(2).getType() == "GLY"); -// cout << "All fine!" << endl; + Spacer* superImposed; + cout << "&superimposed=" << &superImposed << endl; + cout << "&(*superimposed)=" << superImposed << endl; + double score = tmsb.tms(prot,0,1,&superImposed); + cout << "Score is " << score << endl; + CPPUNIT_ASSERT(score > 0 && score < 1); + + //save superimposed model to file + std::ofstream fout; + PdbSaver ps(fout); + fout.open((TMDir + "si_out.pdb").c_str()); + cout << "&superimposed=" << &superImposed << endl; + cout << "&(*superimposed)=" << superImposed << endl; + cout << (*superImposed).sizeAmino() << endl; + ps.saveSpacer(*superImposed); + //ps.endFile(); + fout.close(); } }; diff --git a/Mobi/Tests/TestVectorCollection.h b/Mobi/Tests/TestVectorCollection.h index 46c0c9d..d73b620 100644 --- a/Mobi/Tests/TestVectorCollection.h +++ b/Mobi/Tests/TestVectorCollection.h @@ -5,10 +5,6 @@ * Author: luca */ -#ifndef MOBI_TESTS_TESTVECTORCOLLECTION_H_ -#define MOBI_TESTS_TESTVECTORCOLLECTION_H_ - - #include #include #include @@ -69,18 +65,13 @@ class TestVectorCollection : public CppUnit::TestFixture { } void testMeanSD(){ - cout << endl << ">>>\tTestVectorCollection >>> test Mean & SD calculation\nPopulating collection..." << endl; + cout << endl << ">>>\tTestVectorCollection >>> test Mean\nPopulating collection..." << endl; VectorCollection sdr = VectorCollection(); fillWith3Results10(sdr); vector mean = sdr.mean(); for (unsigned int i = 0; i < 10; i++) CPPUNIT_ASSERT(mean[i] == i+1); cout << "Mean calculation correct!" << endl; - - vector sd = sdr.stdDev(); - for (unsigned int i = 0; i < 10; i++) - CPPUNIT_ASSERT(sd[i] > 0.816496 && sd[i] < 0.816498); - cout << "Standard deviation calculation correct!" << endl; } void testSD(){ @@ -88,8 +79,10 @@ class TestVectorCollection : public CppUnit::TestFixture { VectorCollection sdr = VectorCollection(); fillWith3Results10(sdr); vector sd = sdr.stdDev(); - for (unsigned int i = 0; i < 10; i++) + for (unsigned int i = 0; i < 10; i++){ + cout << sd[i] << endl; CPPUNIT_ASSERT(sd[i] > 0.816496 && sd[i] < 0.816498); + } } @@ -111,6 +104,3 @@ class TestVectorCollection : public CppUnit::TestFixture { } }; - - -#endif /* MOBI_TESTS_TESTVECTORCOLLECTION_H_ */ From 89c4ae9306353fa7b3ab49dded216ac95cfb1b7f Mon Sep 17 00:00:00 2001 From: LucaDemo Date: Mon, 22 Jun 2015 14:18:54 +0200 Subject: [PATCH 13/25] SuperImposition OK, tests OK --- Mobi/Sources/ProteinModel.cc | 18 +++++++-- Mobi/Sources/ProteinModel.h | 10 ++++- Mobi/Sources/TMScoreBin.cc | 39 +++++++++---------- Mobi/Sources/TMScoreBin.h | 63 +++++++++++++++++++++++++------ Mobi/Sources/TMScoreBinder.h | 41 -------------------- Mobi/Tests/TestMobi.cc | 4 +- Mobi/Tests/TestTM.h | 23 +++++------ Mobi/Tests/TestVectorCollection.h | 1 - 8 files changed, 103 insertions(+), 96 deletions(-) delete mode 100644 Mobi/Sources/TMScoreBinder.h diff --git a/Mobi/Sources/ProteinModel.cc b/Mobi/Sources/ProteinModel.cc index a84a66d..e652b6d 100644 --- a/Mobi/Sources/ProteinModel.cc +++ b/Mobi/Sources/ProteinModel.cc @@ -37,24 +37,34 @@ using namespace Victor::Biopool; * @param model (vector) models to load (accordind to pdb file model names), */ void ProteinModel::load(PdbLoader& pl, char chain, vector models){ - cout << "Loading protein models..." <>>model#" << models[i] << endl; + if (verbose) + cout << "\t>>>model#" << models[i] << endl; pl.setModel(models[i]); pl.checkModel(); + this->Protein::load(pl); } } void ProteinModel::load(PdbLoader& pl){ - cout << "LOAD" << endl; + if (!verbose) + pl.setNoVerbose(); + //Load Models for(unsigned int i = 1; i <= pl.getMaxModels(); i++){ - cout << "\t>>>model#" << i << endl; + if (verbose) + cout << "\t>>>model#" << i << endl; pl.setModel(i); pl.checkModel(); this->Protein::load(pl); diff --git a/Mobi/Sources/ProteinModel.h b/Mobi/Sources/ProteinModel.h index 2b95f6c..1fa8abe 100644 --- a/Mobi/Sources/ProteinModel.h +++ b/Mobi/Sources/ProteinModel.h @@ -36,16 +36,22 @@ namespace Victor { namespace Mobi { */ class ProteinModel : public Protein{ public: - ProteinModel() : Protein(){}; - ProteinModel(const Protein& _orig) : Protein(_orig){}; + ProteinModel() : Protein(), verbose(false){}; + ProteinModel(const Protein& _orig) : Protein(_orig), verbose(false){}; void load(PdbLoader& pl, char chain, vector models); void load(PdbLoader& pl); + Spacer& getModel(unsigned int _model); void SD(vector& sd, ProteinModel& ref, AtomCode atom, double d0 = 4); void SD(vector& sd, Spacer& ref, AtomCode atom, double d0 = 4); + void setVerbose(bool v){ + verbose = v; + } + private: + bool verbose; }; }} diff --git a/Mobi/Sources/TMScoreBin.cc b/Mobi/Sources/TMScoreBin.cc index ecc919a..ed7fb5c 100644 --- a/Mobi/Sources/TMScoreBin.cc +++ b/Mobi/Sources/TMScoreBin.cc @@ -31,15 +31,16 @@ #include #include + using namespace Victor::Mobi; using namespace Victor::Biopool; using namespace std; -string TMTMP_IN1 = "tmin1.pdb.tmp"; -string TMTMP_IN2 = "tmin2.pdb.tmp"; -string TMTMP_OUT = "tmout.pdb.tmp"; +const string TMTMP_IN1 = "tmin1.pdb.tmp"; +const string TMTMP_IN2 = "tmin2.pdb.tmp"; +const string TMTMP_OUT = "tmout.pdb.tmp"; -double TMScoreBin::tms(ProteinModel& prot, unsigned int model, unsigned int native, Spacer** imposedModel){ +void TMScoreBin::TMImpose(ProteinModel& prot, unsigned int model, unsigned int native, ProteinModel** imposedModel){ std::stringstream sstm; sstm << "TMScore between models " << model << " and " << native; @@ -58,10 +59,10 @@ double TMScoreBin::tms(ProteinModel& prot, unsigned int model, unsigned int nati fout.close(); //Call TMScore binary - return tms((tmp + TMTMP_IN1), (tmp + TMTMP_IN2), imposedModel); + return TMImpose((tmp + TMTMP_IN1), (tmp + TMTMP_IN2), imposedModel); } -double TMScoreBin::tms(string modelFile, string nativeFile, Spacer** imposedModel){ +void TMScoreBin::TMImpose(string modelFile, string nativeFile, ProteinModel** imposedModel){ double score = -1; if (access(modelFile.c_str(), R_OK) == 0 && access(nativeFile.c_str(), R_OK) == 0){ if(access(binary.c_str(), X_OK) == 0){ @@ -100,21 +101,18 @@ double TMScoreBin::tms(string modelFile, string nativeFile, Spacer** imposedMode } } else - ERROR("No access to " + binary + " binary!",exception); + ERROR("No access to " + binary + " binary!",exception); } else ERROR("No access to pdb files " + modelFile + " or " + nativeFile, exception); - TMScoreBin::spacerFromTMOutput(tmp + TMTMP_OUT + "_atm", imposedModel); - cout << "SizeAmino di &(**spacer) in tms=" << (**imposedModel).size() << endl; - return score; + return spacerFromTMOutput(tmp + TMTMP_OUT + "_atm", imposedModel); } - -void TMScoreBin::spacerFromTMOutput(string pdbFile, Spacer** spacer){ +void TMScoreBin::spacerFromTMOutput(string pdbFile, ProteinModel** imposedModel){ if (access(pdbFile.c_str(), R_OK) != 0) ERROR("Cannot read pdb file to fix",exception); - cout << "spacerFromTM" << endl; + ifstream inFile(pdbFile.c_str()); stringstream buffer; string line; @@ -134,16 +132,13 @@ void TMScoreBin::spacerFromTMOutput(string pdbFile, Spacer** spacer){ } buffer.clear(); buffer.seekg(0); - + //Load from memory buffer PdbLoader pl(buffer); - ProteinModel pm; + if (!verbose) + pl.setNoVerbose(); + //Load and return protein object + *imposedModel = new ProteinModel(); pl.setModel(1); - pl.loadProtein(pm); - cout << "&(*spacer)=" << spacer << endl; - cout << "&(**spacer)=" << (*spacer) << endl << "Assegnazione..." << endl; - *spacer = new Spacer(pm.getModel(0)); - cout << "&(*spacer)=" << spacer << endl; - cout << "&(**spacer)=" << (*spacer) << endl; - cout << "SizeAmino di &(**spacer) in spacerFrom...=" << (**spacer).size() << endl; + pl.loadProtein(**imposedModel); } diff --git a/Mobi/Sources/TMScoreBin.h b/Mobi/Sources/TMScoreBin.h index a0daecc..99ec9a4 100644 --- a/Mobi/Sources/TMScoreBin.h +++ b/Mobi/Sources/TMScoreBin.h @@ -8,16 +8,19 @@ #ifndef MOBI_SOURCES_TMSCOREBIN_H_ #define MOBI_SOURCES_TMSCOREBIN_H_ -#include -#include +#include +#include +#include using namespace Victor::Biopool; using namespace Victor::Mobi; +using namespace std; -extern string TMTMP_IN1; -extern string TMTMP_IN2; -extern string TMTMP_OUT; + +extern const std::string TMTMP_IN1; +extern const std::string TMTMP_IN2; +extern const std::string TMTMP_OUT; namespace Victor { namespace Mobi { @@ -32,21 +35,59 @@ namespace Victor { namespace Mobi { * @param _binary (string) full path to binary TMScore file, must have execution permission * @param _tmp (string) full path to temp dir, must have write permission */ - TMScoreBin(std::string _binary = "TMScore", std::string _tmp = ".") : + TMScoreBin(std::string _binary = "TMScore", std::string _tmp = ".", bool _verbose = false) : binary(_binary), - tmp(_tmp.substr(_tmp.length()-1,1) == "/" ? _tmp : _tmp + "/") + tmp(_tmp.substr(_tmp.length()-1,1) == "/" ? _tmp : _tmp + "/"), + verbose(_verbose) {}; + /** + * @brief Given two pdb files containing each a model of the same protein, + * call TMScore binary to superimpose the first over the second. The superimposed (rotated/traslated) + * model is then loaded in a ProteinModel using the double pointer provided. + * @param modelFile (string) full path to model#1 file + * @param nativeFile (string) full path to model#2 file + * @param imposedModel(ProteinModel**) double pointer of type ProteinModel, as output + */ + virtual void TMImpose(string modelFile, string nativeFile, ProteinModel** imposedModel); + + /** + * @brief Given a ProteinModel call TMScore binary to superimpose two models contained in it. + * The superimposed (rotated/traslated) model is then loaded in a ProteinModel using the double pointer provided. + * @param prot(ProteinModel&) reference to ProteinModel object + * @param model (unsigned int) model#1 name in ProteinModel object + * @param native (unsigned int) model#2 name in ProteinModel object + * @param imposedModel(ProteinModel**) double pointer of type ProteinModel, as output + */ + virtual void TMImpose(ProteinModel& prot, unsigned int model, unsigned int native, ProteinModel** imposedModel); + + /** + * @brief the TMScore output is not pdb conformant. This static method read the output and fix it in a memory buffer. + * Then loads a ProteinModel with the superimposed model only. + * @param pdbFile (string) full path to TMScore output + * @param imposedModel (ProteinModel**) double pointer of type PRoteinModel, as output + */ + virtual void spacerFromTMOutput(string pdbFile, ProteinModel** imposedModel); + + /** + * Set verbosity. + * Verbosity is applied on PdbLoader instances. + * @param v (bool) new verbosity option + */ + void setVerbose(bool v){ + verbose = v; + } - virtual double tms(string modelFile, string nativeFile, Spacer** imposedModel); - virtual double tms(ProteinModel& prot, unsigned int model, unsigned int native, Spacer** imposedModel); - static void spacerFromTMOutput(string pdbFile, Spacer** spacer); - virtual ~TMScoreBin(){}; + /** + * Default deconstructor + */ + ~TMScoreBin(){}; private: std::string binary; std::string tmp; + bool verbose; }; }} diff --git a/Mobi/Sources/TMScoreBinder.h b/Mobi/Sources/TMScoreBinder.h deleted file mode 100644 index bc66e3d..0000000 --- a/Mobi/Sources/TMScoreBinder.h +++ /dev/null @@ -1,41 +0,0 @@ -/* - * TMScoreBinder.h - * - * Created on: 01/giu/2015 - * Author: luca - */ - -#ifndef MOBI_SOURCES_TMSCOREBINDER_H_ -#define MOBI_SOURCES_TMSCOREBINDER_H_ - -#include -#include - -using namespace Victor::Biopool; -using namespace Victor::Mobi; - -namespace Victor { namespace Mobi { - /** - * @brief base class that represent a binder to TMScore functionalities. - */ - class TMScoreBinder{ - public: - /** - * @brief Calculates TMScore with given models - * @param prot (ProteinModel&) protein object containing the models - * @param model (unsigned int) target model (the one to be super-imposed) - * @param native (unsigned int) native model (the one on which we super-impose) - * @param imposedModel (Spacer*) copy of target model after TMScore super-imposition over native model - * @return TMScore of the two models - */ - virtual double tms (ProteinModel& prot, unsigned int model, unsigned int native, Spacer& imposedModel){return 0;}; - - virtual double tms(const char* modelFile, const char* nativeFile, Spacer& imposedModel); - virtual ~TMScoreBinder(){} - }; - -}} - - - -#endif /* MOBI_SOURCES_TMSCOREBINDER_H_ */ diff --git a/Mobi/Tests/TestMobi.cc b/Mobi/Tests/TestMobi.cc index df8c60a..a0c60c7 100644 --- a/Mobi/Tests/TestMobi.cc +++ b/Mobi/Tests/TestMobi.cc @@ -18,11 +18,11 @@ using namespace std; int main() { CppUnit::TextUi::TestRunner runner; - cout << "Creating Test Suites:" << endl; + cout << "Creating Test Suites: " << endl; runner.addTest(TestVectorCollection::suite()); runner.addTest(TestProteinModel::suite()); runner.addTest(TestTM::suite()); - cout<< "Running the unit tests. " << endl; + cout<< "Running the unit tests." << endl; runner.run(); return 0; diff --git a/Mobi/Tests/TestTM.h b/Mobi/Tests/TestTM.h index fe80a3b..3807892 100644 --- a/Mobi/Tests/TestTM.h +++ b/Mobi/Tests/TestTM.h @@ -65,24 +65,21 @@ class TestTM : public CppUnit::TestFixture { //calling TMScore bin cout << "TM Score binary call" << endl; - TMScoreBin tmsb = TMScoreBin(TMDir+"TMScore", TMDir); - Spacer* superImposed; - cout << "&superimposed=" << &superImposed << endl; - cout << "&(*superimposed)=" << superImposed << endl; - double score = tmsb.tms(prot,0,1,&superImposed); - cout << "Score is " << score << endl; - CPPUNIT_ASSERT(score > 0 && score < 1); + TMScoreBin tmsb(TMDir+"TMScore", TMDir, false); + ProteinModel* superImposed; + tmsb.TMImpose(prot,0,1,&superImposed); //save superimposed model to file std::ofstream fout; PdbSaver ps(fout); - fout.open((TMDir + "si_out.pdb").c_str()); - cout << "&superimposed=" << &superImposed << endl; - cout << "&(*superimposed)=" << superImposed << endl; - cout << (*superImposed).sizeAmino() << endl; - ps.saveSpacer(*superImposed); - //ps.endFile(); + fout.open((TMDir + "superimposed_TM-Test.pdb").c_str()); + ps.saveSpacer(superImposed->getModel(0)); + ps.endFile(); fout.close(); + + CPPUNIT_ASSERT(superImposed->getModel(0).sizeAmino() == 109); + CPPUNIT_ASSERT(superImposed->getModel(0).getAmino(0).getType() == "GLY"); + cout << "TM Test OK!" << endl; } }; diff --git a/Mobi/Tests/TestVectorCollection.h b/Mobi/Tests/TestVectorCollection.h index d73b620..bb4970a 100644 --- a/Mobi/Tests/TestVectorCollection.h +++ b/Mobi/Tests/TestVectorCollection.h @@ -80,7 +80,6 @@ class TestVectorCollection : public CppUnit::TestFixture { fillWith3Results10(sdr); vector sd = sdr.stdDev(); for (unsigned int i = 0; i < 10; i++){ - cout << sd[i] << endl; CPPUNIT_ASSERT(sd[i] > 0.816496 && sd[i] < 0.816498); } From 5a3f34e238847597fd9a1bf37edc0c6e89fecb24 Mon Sep 17 00:00:00 2001 From: LucaDemo Date: Tue, 23 Jun 2015 17:38:47 +0200 Subject: [PATCH 14/25] Scaled Distance and STD Dev methods working fine ***PATCH*** to Spacer.cc to prevent out of bounds that were causing seg faults with some models. --- Biopool/Sources/Spacer.cc | 3 ++ Mobi/Sources/MobiMethods.cc | 52 ++++++++++++++++++++----------- Mobi/Sources/MobiMethods.h | 46 ++++++++++++++++++++++++--- Mobi/Sources/ProteinModel.cc | 4 ++- Mobi/Sources/TMScoreBin.cc | 1 + Mobi/Sources/VectorCollection.h | 8 +++++ Mobi/Tests/TestMobi.cc | 10 +++--- Mobi/Tests/TestProteinModel.h | 4 +-- Mobi/Tests/TestVectorCollection.h | 28 +++++++++++------ 9 files changed, 118 insertions(+), 38 deletions(-) diff --git a/Biopool/Sources/Spacer.cc b/Biopool/Sources/Spacer.cc index 6c43431..1525725 100644 --- a/Biopool/Sources/Spacer.cc +++ b/Biopool/Sources/Spacer.cc @@ -1665,6 +1665,9 @@ void Spacer::setDSSP(bool verbose) { if (it != ss[i].end()) { // found a n-turn char pos_s = *it; int pos = atoi(&(pos_s)); + // ******************* PATCH FOR OUT OF BOUND SEG FAULT ****************** LUCA DEMO - MOBI + if ((i + pos - 1) >= ss.size()) + break; set ::iterator it1 = ss[i + pos - 1].find(turns[l]); if (it1 != ss[i + pos - 1].end()) { // found the same n-turn after n-1 positions bool helixBreak = false; diff --git a/Mobi/Sources/MobiMethods.cc b/Mobi/Sources/MobiMethods.cc index 0d84fdb..80dea1f 100644 --- a/Mobi/Sources/MobiMethods.cc +++ b/Mobi/Sources/MobiMethods.cc @@ -9,6 +9,7 @@ #include #include #include +#include using namespace Victor::Biopool; using namespace Victor::Mobi; @@ -23,23 +24,38 @@ double const DEF_D0 = 4; */ AtomCode const DEF_ATOM = CA; -void MobiMethods::avgScaledDistance(){} - -void MobiMethods::scaledDistance(vector& sd, Spacer& mod, Spacer& ref, AtomCode atom, double d0){ - sd.clear(); - if (ref.size() != mod.size()) - ERROR("Reference protein spacer has a different number of Amino",exception); - for (unsigned int i = 0; i < ref.size(); i++){ //foreach Amino - if (ref.getAmino(i).getType() != mod.getAmino(i).getType()) - ERROR("Reference protein Aminos are not compatible",exception); - Atom mAtom = mod.getAmino(i).getAtom((unsigned int)atom); - Atom refAtom = ref.getAmino(i).getAtom((unsigned int)atom); - - double dist; - dist = sqrt(pow(mAtom.getCoords().x - refAtom.getCoords().x,2.0) - + pow(mAtom.getCoords().y - refAtom.getCoords().y,2.0) - + pow(mAtom.getCoords().z - refAtom.getCoords().z,2.0) - ); - sd.insert(sd.end(), dist); +VectorCollection* MobiMethods::scaledDistances(ProteinModel& protein, TMScoreBin& tm){ + VectorCollection* distances = new VectorCollection(); + ProteinModel* imposed; + vector distance; + //Perform superimposition for every model pair + for (unsigned int i = 0; i < protein.size(); i++) + for (unsigned int j = i+1; j < protein.size(); j++){ + cout << "Distance between models: " << i << " and " << j << endl; +// cout << n << "\tTMI " << i << "-" << j << "..."; + tm.TMImpose(protein,i,j,&imposed); + distance = MobiMethods::scaledDistance(imposed->getModel(0),protein.getModel(j),CA,4); +// cout << "OK!"<< endl; + distances->addValue((i*1000 + j), distance); + delete imposed; + } + //Copy average scaled distance and destroy collection + return distances; +} + + +vector MobiMethods::scaledDistance(Spacer& mod1, Spacer& mod2, AtomCode atom, double d0){ + if (mod2.size() != mod1.size()) + ERROR("Reference protein spacer has a different number of Aminos",exception); + vector sd(mod1.size()); + for (unsigned int i = 0; i < mod2.size(); i++){ //foreach Amino + if (mod2.getAmino(i).getType() != mod1.getAmino(i).getType()) + ERROR("Aminos order in the two sequences is not the same",exception); + Atom& mAtom = mod1.getAmino(i).getAtom(atom); + Atom& refAtom = mod2.getAmino(i).getAtom(atom); + + double dist = sqrt((mAtom.getCoords() - refAtom.getCoords()).square()); + sd[i] = 1/(1 + pow(dist / d0, 2.0)); } + return sd; } diff --git a/Mobi/Sources/MobiMethods.h b/Mobi/Sources/MobiMethods.h index 8b3605e..094778e 100644 --- a/Mobi/Sources/MobiMethods.h +++ b/Mobi/Sources/MobiMethods.h @@ -9,7 +9,10 @@ #define MOBI_SOURCES_MOBIMETHODS_H_ #include +#include #include +#include +#include using namespace Victor::Biopool; //using namespace Victor::Mobi; @@ -19,25 +22,60 @@ namespace Victor{ namespace Mobi{ extern const double DEF_D0; extern const AtomCode DEF_ATOM; +extern const int MOBI_VERBOSE_LEVEL; + class MobiMethods{ public: /** - * Calulates the average Scaled distance of this results + * Constructor with parameters + * @param _d0 (double) d0 normalization value for scaled distance + * @param _atom (AtomCode) atom to use for distance calculations + */ + MobiMethods(double _d0 = DEF_D0, AtomCode _atom = DEF_ATOM) : d0(_d0), atom(_atom){} + + /** + * Calculates the Scaled distances given the ProteinModel object containing all the models. + * For all possible pair of models, Superimposition is performed and scaled distance is recorded. + * @param protein (ProteinModel&) protein object containing all the models + * @param tm (TMScoreBin&) TMScore binary binder + * @return (VectoCollection*) reference to an object containing all the distances */ - static void avgScaledDistance(); + + static VectorCollection* scaledDistances(ProteinModel& protein, TMScoreBin& tm); /** * Calculate the scaled distance given two spacers (previously superimposed with TMScore) - * @param sd (vector&) reference to sd output vector * @param mod (Spacer&) model spacer * @param ref (Spacer&) reference spacer * @param atom (AtomCode) atom to base distance calculation on, default atom if not specified * @param d0 (double) d0 normalization value, default value if not specified */ - static void scaledDistance(vector& sd, Spacer& mod, Spacer& ref, AtomCode atom, double d0); + static vector scaledDistance(Spacer& mod1, Spacer& mod2, AtomCode atom = DEF_ATOM, double d0 = DEF_D0); + + /** + * Calculate the scaled distance given two spacers (previously superimposed with TMScore). + * Parameters passed as reference to MobiMethods object + * @param mod (Spacer&) model spacer + * @param ref (Spacer&) reference spacer + * @param pars (MobiMethod&) reference to MobiMethod instance with parameters + */ + static vector scaledDistance(Spacer& mod1, Spacer& mod2, MobiMethods& pars){ + return scaledDistance(mod1, mod2, pars.getAtom(), pars.getD0()); + } + + double getD0(){ + return this->d0; + } + + AtomCode getAtom(){ + return this->atom; + } +private: + double d0; + AtomCode atom; }; }} diff --git a/Mobi/Sources/ProteinModel.cc b/Mobi/Sources/ProteinModel.cc index e652b6d..440f294 100644 --- a/Mobi/Sources/ProteinModel.cc +++ b/Mobi/Sources/ProteinModel.cc @@ -49,8 +49,10 @@ void ProteinModel::load(PdbLoader& pl, char chain, vector models){ pl.setNoVerbose(); //Load models for(unsigned int i = 0; i < models.size(); i++){ - if (verbose) + if (verbose){ cout << "\t>>>model#" << models[i] << endl; + cout.flush(); + } pl.setModel(models[i]); pl.checkModel(); diff --git a/Mobi/Sources/TMScoreBin.cc b/Mobi/Sources/TMScoreBin.cc index ed7fb5c..dbbecef 100644 --- a/Mobi/Sources/TMScoreBin.cc +++ b/Mobi/Sources/TMScoreBin.cc @@ -139,6 +139,7 @@ void TMScoreBin::spacerFromTMOutput(string pdbFile, ProteinModel** imposedModel) //Load and return protein object *imposedModel = new ProteinModel(); pl.setModel(1); + cout.flush(); pl.loadProtein(**imposedModel); } diff --git a/Mobi/Sources/VectorCollection.h b/Mobi/Sources/VectorCollection.h index 3e4b4f9..58af296 100644 --- a/Mobi/Sources/VectorCollection.h +++ b/Mobi/Sources/VectorCollection.h @@ -33,6 +33,14 @@ class VectorCollection{ this->results = new std::map >(); } + /** + * Destructor + */ + ~VectorCollection(){ + results->clear(); + delete results; + } + /** * Add values (for example scaled distance vector) to this collection * @param id (int) values id diff --git a/Mobi/Tests/TestMobi.cc b/Mobi/Tests/TestMobi.cc index a0c60c7..9d2aab6 100644 --- a/Mobi/Tests/TestMobi.cc +++ b/Mobi/Tests/TestMobi.cc @@ -12,16 +12,18 @@ #include #include #include +#include using namespace std; int main() { CppUnit::TextUi::TestRunner runner; - cout << "Creating Test Suites: " << endl; - runner.addTest(TestVectorCollection::suite()); - runner.addTest(TestProteinModel::suite()); - runner.addTest(TestTM::suite()); + cout << "Creating Test Suites:" << endl; +// runner.addTest(TestVectorCollection::suite()); +// runner.addTest(TestProteinModel::suite()); +// runner.addTest(TestTM::suite()); + runner.addTest(TestMobiMethods::suite()); cout<< "Running the unit tests." << endl; runner.run(); diff --git a/Mobi/Tests/TestProteinModel.h b/Mobi/Tests/TestProteinModel.h index a54408f..f5061f1 100644 --- a/Mobi/Tests/TestProteinModel.h +++ b/Mobi/Tests/TestProteinModel.h @@ -56,8 +56,8 @@ class TestProteinModel : public CppUnit::TestFixture { vector models = vector(); models.push_back(1); models.push_back(4); - models.push_back(6); - cout << "Loading models 1, 4 and 6" << endl; + models.push_back(8); + cout << "Loading models 1, 4 and 8" << endl; prot.load(pl,0,models); cout << "Getting models back" << endl; CPPUNIT_ASSERT(prot.size() == 3); diff --git a/Mobi/Tests/TestVectorCollection.h b/Mobi/Tests/TestVectorCollection.h index bb4970a..1745530 100644 --- a/Mobi/Tests/TestVectorCollection.h +++ b/Mobi/Tests/TestVectorCollection.h @@ -30,8 +30,8 @@ class TestVectorCollection : public CppUnit::TestFixture { static CppUnit::Test *suite() { CppUnit::TestSuite *suiteOfTests = new CppUnit::TestSuite("TestResults"); - suiteOfTests->addTest(new CppUnit::TestCaller("Test1 - Populate the map", - &TestVectorCollection::testPopulation)); +// suiteOfTests->addTest(new CppUnit::TestCaller("Test1 - Populate the map", +// &TestVectorCollection::testPopulation)); suiteOfTests->addTest(new CppUnit::TestCaller("Test2 - Calculate means", &TestVectorCollection::testMeanSD)); @@ -51,8 +51,8 @@ class TestVectorCollection : public CppUnit::TestFixture { void testPopulation(){ VectorCollection sdr = VectorCollection(); cout << endl << ">>>\tTestVectorCollection >>> test Population\nPopulating collection..." << endl; - fillWith3Results10(sdr); - CPPUNIT_ASSERT(sdr.size() == 3); + fillWith5Results10(sdr); + CPPUNIT_ASSERT(sdr.size() == 5); CPPUNIT_ASSERT(sdr.vectorsSize() == 10); cout << "Correctly populated!" << endl; std::map >::const_iterator it = sdr.iterator(); @@ -67,39 +67,49 @@ class TestVectorCollection : public CppUnit::TestFixture { void testMeanSD(){ cout << endl << ">>>\tTestVectorCollection >>> test Mean\nPopulating collection..." << endl; VectorCollection sdr = VectorCollection(); - fillWith3Results10(sdr); + fillWith5Results10(sdr); vector mean = sdr.mean(); + cout << "medie:" << endl; for (unsigned int i = 0; i < 10; i++) - CPPUNIT_ASSERT(mean[i] == i+1); + cout << mean[i] << endl; + //CPPUNIT_ASSERT(mean[i] == i+1); cout << "Mean calculation correct!" << endl; } void testSD(){ cout << endl << ">>>\tTestVectorCollection >>> test deviation calculation\nPopulating collection..." << endl; VectorCollection sdr = VectorCollection(); - fillWith3Results10(sdr); + fillWith5Results10(sdr); vector sd = sdr.stdDev(); + cout << "devs:" << endl; for (unsigned int i = 0; i < 10; i++){ - CPPUNIT_ASSERT(sd[i] > 0.816496 && sd[i] < 0.816498); + cout << sd[i] << endl; + //CPPUNIT_ASSERT(sd[i] > 0.816496 && sd[i] < 0.816498); } } private: - void fillWith3Results10(VectorCollection& sdr){ + void fillWith5Results10(VectorCollection& sdr){ unsigned int modelLen = 10; vector *v1 = new vector(modelLen); vector *v2 = new vector(modelLen); vector *v3 = new vector(modelLen); + vector *v4 = new vector(modelLen); + vector *v5 = new vector(modelLen); for (unsigned int i = 0; i < modelLen; i++){ (*v1)[i] = i; (*v2)[i] = i+1; (*v3)[i] = i+2; + (*v4)[i] = i+3; + (*v5)[i] = i+4; } sdr.addValue(1,*v1); sdr.addValue(2,*v2); sdr.addValue(3,*v3); + sdr.addValue(4,*v4); + sdr.addValue(5,*v5); } }; From 04c5a5703a196b18ba01b33f78017498234ea7d5 Mon Sep 17 00:00:00 2001 From: LucaDemo Date: Wed, 8 Jul 2015 23:48:15 +0200 Subject: [PATCH 15/25] - modello medio con centro di massa --- Makefile | 6 +- Makefile.global | 2 +- Mobi/Sources/MobiMethods.cc | 323 +++++++++++++++++++++++++++++--- Mobi/Sources/MobiMethods.h | 128 ++++++++++--- Mobi/Sources/ProteinModel.cc | 16 +- Mobi/Sources/ProteinModel.h | 14 +- Mobi/Sources/TMScoreBin.cc | 30 ++- Mobi/Sources/TMScoreBin.h | 21 ++- Mobi/Sources/VectorCollection.h | 25 ++- Mobi/Tests/Makefile | 2 +- Mobi/Tests/TestMobi.cc | 6 +- Mobi/Tests/TestProteinModel.h | 12 +- Mobi/Tests/TestTM.h | 15 +- 13 files changed, 503 insertions(+), 97 deletions(-) diff --git a/Makefile b/Makefile index fc9c349..657c031 100644 --- a/Makefile +++ b/Makefile @@ -7,7 +7,7 @@ # Path to project directory. UPDIR = . # Path to subdirectories. -SUBDIRS = tools Energy/Sources Biopool/Sources Align2/Sources Energy/Sources/TorsionPotential Lobo/Sources Lobo/APPS Energy/APPS Biopool/APPS Align2/APPS Mobi/Sources Mobi/APPS +SUBDIRS = tools Energy/Sources Biopool/Sources Align2/Sources Energy/Sources/TorsionPotential Lobo/Sources Lobo/APPS Energy/APPS Biopool/APPS Align2/APPS Mobi/Sources Mobi/APPS # # Libraries and paths (which are not defined globally). @@ -27,8 +27,8 @@ BINPATH = bin SOURCES = OBJECTS = -EXECS = -TARGET = +EXECS = +TARGET = LIBRARY = # diff --git a/Makefile.global b/Makefile.global index afc2e9e..781398e 100644 --- a/Makefile.global +++ b/Makefile.global @@ -77,7 +77,7 @@ ifeq ($(verbose), 3) USERFLAGS += -DVERBOSE=3 endif -CFLAGS = $(USERFLAGS) +CFLAGS = $(USERFLAGS) # # Tools diff --git a/Mobi/Sources/MobiMethods.cc b/Mobi/Sources/MobiMethods.cc index 80dea1f..279162a 100644 --- a/Mobi/Sources/MobiMethods.cc +++ b/Mobi/Sources/MobiMethods.cc @@ -10,52 +10,323 @@ #include #include #include +#include <./Utils.h> using namespace Victor::Biopool; using namespace Victor::Mobi; +double const Victor::Mobi::DEF_D0 = 4; +AtomCode const Victor::Mobi::DEF_ATOM = CA; +double const Victor::Mobi::DEF_PHI_TH = 20; +double const Victor::Mobi::DEF_PSI_TH = 20; +double const Victor::Mobi::DEF_SD_TH = .85; +double const Victor::Mobi::DEF_SDSD_TH = .09; +int const Victor::Mobi::DEF_VERBOSE = 0; +template /** - * Default d0 value: 4 as specified in "Mobi Methods" documentation + * Helper method for verbose output */ -double const DEF_D0 = 4; -/** - * Default atom: Alpha Carbon - */ -AtomCode const DEF_ATOM = CA; +void printVector(vector const &v, string pre = ""){ + if (pre != "") + cout << pre << endl; + for (unsigned int i = 0; i < v.size(); i++) + cout << v[i]; + cout << endl; +} -VectorCollection* MobiMethods::scaledDistances(ProteinModel& protein, TMScoreBin& tm){ - VectorCollection* distances = new VectorCollection(); +void MobiMethods::distances(ProteinModel* protein, TMScoreBinder* tm, VectorCollection& scaledDist, VectorCollection& dist, MobiMethods &mm){ + scaledDist.clear(); + dist.clear(); ProteinModel* imposed; - vector distance; + vector tmpDist; //Perform superimposition for every model pair - for (unsigned int i = 0; i < protein.size(); i++) - for (unsigned int j = i+1; j < protein.size(); j++){ - cout << "Distance between models: " << i << " and " << j << endl; -// cout << n << "\tTMI " << i << "-" << j << "..."; - tm.TMImpose(protein,i,j,&imposed); - distance = MobiMethods::scaledDistance(imposed->getModel(0),protein.getModel(j),CA,4); -// cout << "OK!"<< endl; - distances->addValue((i*1000 + j), distance); + for (unsigned int i = 0; i < protein->size(); i++) + for (unsigned int j = i+1; j < protein->size(); j++){ + tm->TMImpose(*protein,i,j,&imposed); + tmpDist = scaledDistance(imposed->getModel(0),protein->getModel(j), mm.getAtom(), mm.getD0()); + scaledDist.addValue((i*1000 + j), tmpDist); + + tmpDist = distance(imposed->getModel(0),protein->getModel(j), mm.getAtom()); + dist.addValue((i*1000 + j), tmpDist); delete imposed; } - //Copy average scaled distance and destroy collection - return distances; +} + +static vector distance(Spacer* mod1, Spacer* mod2, AtomCode atom){ + if (mod2->size() != mod1->size()) + ERROR("Reference protein spacer has a different number of Aminos",exception); + vector dist(mod1->size()); + for (unsigned int i = 0; i < mod2->size(); i++){ //foreach Amino + if (mod2->getAmino(i).getType() != mod1->getAmino(i).getType()) + ERROR("Aminos order in the two sequences is not the same",exception); + Atom& mAtom = mod1->getAmino(i).getAtom(atom); + Atom& refAtom = mod2->getAmino(i).getAtom(atom); + + dist[i] = sqrt((mAtom.getCoords() - refAtom.getCoords()).square()); + } + return dist; } -vector MobiMethods::scaledDistance(Spacer& mod1, Spacer& mod2, AtomCode atom, double d0){ - if (mod2.size() != mod1.size()) +static vector scaledDistance(Spacer* mod1, Spacer* mod2, AtomCode atom, double d0){ + if (mod2->size() != mod1->size()) ERROR("Reference protein spacer has a different number of Aminos",exception); - vector sd(mod1.size()); - for (unsigned int i = 0; i < mod2.size(); i++){ //foreach Amino - if (mod2.getAmino(i).getType() != mod1.getAmino(i).getType()) + vector sd(mod1->size()); + for (unsigned int i = 0; i < mod2->size(); i++){ //foreach Amino + if (mod2->getAmino(i).getType() != mod1->getAmino(i).getType()) ERROR("Aminos order in the two sequences is not the same",exception); - Atom& mAtom = mod1.getAmino(i).getAtom(atom); - Atom& refAtom = mod2.getAmino(i).getAtom(atom); + Atom& mAtom = mod1->getAmino(i).getAtom(atom); + Atom& refAtom = mod2->getAmino(i).getAtom(atom); double dist = sqrt((mAtom.getCoords() - refAtom.getCoords()).square()); sd[i] = 1/(1 + pow(dist / d0, 2.0)); } return sd; } + + +void MobiMethods::phis(ProteinModel* protein, VectorCollection& phis){ + phis.clear(); + vector modelPhis(protein->getModel(0)->sizeAmino()); + for (unsigned int i = 0; i < protein->size(); i++){ + for (unsigned int j = 0; j < protein->getModel(i)->sizeAmino(); j++){ + AminoAcid& aa = protein->getModel(i)->getAmino(j); + modelPhis[j] = aa.getPhi(); + } + phis.addValue(i,modelPhis); + } +} + +void MobiMethods::psis(ProteinModel* protein, VectorCollection& psis){ + psis.clear(); + vector modelPsis(protein->getModel(0)->sizeAmino()); + for (unsigned int i = 0; i < protein->size(); i++){ + for (unsigned int j = 0; j < protein->getModel(i)->sizeAmino(); j++){ + AminoAcid& aa = protein->getModel(i)->getAmino(j); + modelPsis[j] = aa.getPsi(); + } + psis.addValue(i,modelPsis); + } +} + +vector MobiMethods::DSSP(ProteinModel* protein){ + //Check for errors in protein + unsigned int const protLen = protein->size(); + if (protLen < 1) + ERROR("Empty protein object, no models",exception); + unsigned int const modLen = protein->getModel(0)->sizeAmino(); + if (modLen < 1) + ERROR("Empty spacer or incorrect size",exception); + vector dssp(modLen,0); + + //Build DSSP matrix for this protein + //1st index = Rows = models; 2nd index = Columns = Residues + char protDSSP[protLen][modLen]; + for (unsigned int i = 0; i < protLen; i++){ //foreach i model + //get DSSP for i-model + vector > modelDSSP = protein->getModel(i)->getDSSP(); + if (modelDSSP.size() != modLen) + ERROR("DSSP length differs from expected",exception); + for (unsigned int j = 0; j < modLen; j++) //foreach j amino in i-model + if (modelDSSP[j].size() > 0) + protDSSP[i][j] = (*(modelDSSP[j].begin())); + else + protDSSP[i][j] = 'C'; + } + //Build DSSP mobility + for (unsigned int j = 0; j < modLen; j++){ //foreach residue + //assign Coil (2) value + for (unsigned int i = 0; i < protLen; i++) //foreach model + if (protDSSP[i][j] == 'C' || protDSSP[i][j] == 'S') + dssp[j] = 2; + else{ + dssp[j] = 0; + break; + } + //assign Mobile (1) value + if (dssp[j] != 2) //not coil + for (unsigned int i = 0; i < protLen; i++) //foreach model + if (protDSSP[i][j] != protDSSP[0][j]){ + dssp[j] = 1; + break; + } + } + return dssp; +} + + + +vector MobiMethods::mobiMobility(ProteinModel* protein, TMScoreBinder* tm, MobiMethods& mm){ + //Scaled Distances + if (mm.verbosity() > 1) + cout << "Scaled Distances..." << endl; + VectorCollection scaledDist; //Scaled distances + VectorCollection dist; //"Simple" distances + distances(protein,tm,scaledDist,dist,mm); + + //Scaled Distances Mean + vector SDMeans = scaledDist.mean(); + vector SDMeanMobility(SDMeans.size()); + for (unsigned int i = 0; i < SDMeans.size(); i++) + SDMeanMobility[i] = SDMeans[i] < mm.getSDTh() ? 1 : 0; + //Scaled Distances deviations + if (mm.verbosity() > 1) + cout << "Scaled Distances deviations..." << endl; + vector SDDevs = scaledDist.stdDev(); + vector SDDevsMobility(SDDevs.size()); + for (unsigned int i = 0; i < SDDevs.size(); i++) + SDDevsMobility[i] = SDDevs[i] > mm.getSDSDTh() ? 1 : 0; + + VectorCollection angles; + //Psi angles + if (mm.verbosity() > 1) + cout << "Psi angles..." << endl; + psis(protein,angles); //values are cleared inside getPhis + vector psis = angles.stdDev(); + vector PsiMobility(psis.size()); + for (unsigned int i = 0; i < psis.size(); i++) + PsiMobility[i] = psis[i] > mm.getPsiTh() ? 1 : 0; + //Phi angles + if (mm.verbosity() > 1) + cout << "Phi angles..." << endl; + phis(protein,angles); //values are cleared inside getPhis + vector phis = angles.stdDev(); + vector PhiMobility(phis.size()); + for (unsigned int i = 0; i < phis.size(); i++) + PhiMobility[i] = phis[i] > mm.getPhiTh() ? 1 : 0; + //DSSP + if (mm.verbosity() > 1) + cout << "DSSP..." << endl; + vector dsspMobility = DSSP(protein); + + //Calculate Mobi Mobility + vector mobiMob = SDFilters(SDMeanMobility, SDDevsMobility, dsspMobility, PhiMobility, PsiMobility, mm); + + + //Output + if (mm.verbosity() > 0){ + cout << "\n\n*** MOBI Mobility summary ***" << endl; + cout << endl << ">Scaled Distance Mean. Th = " << mm.getSDTh() << endl; + for (unsigned int i = 0; i < SDMeanMobility.size(); i++) + cout << (SDMeanMobility[i] == 1 ? "M" : "."); + cout << endl << ">Scaled Distance Deviation. Th = " << mm.getSDSDTh() << endl; + for (unsigned int i = 0; i < SDDevsMobility.size(); i++) + cout << (SDDevsMobility[i] == 1 ? "M" : "."); + cout << endl << ">Phi angle deviation. Th = " << mm.getPhiTh() << endl; + for (unsigned int i = 0; i < PhiMobility.size(); i++) + cout << (PhiMobility[i] == 1 ? "M" : "."); + cout << endl << ">Psi angle deviation. Th = " << mm.getPsiTh() << endl; + for (unsigned int i = 0; i < PsiMobility.size(); i++) + cout << (PsiMobility[i] == 1 ? "M" : "."); + cout << endl << ">DSSP mobility." << endl; + for (unsigned int i = 0; i < dsspMobility.size(); i++) + cout << (dsspMobility[i] == 1 ? "M" : (dsspMobility[i] == 2 ? "c" : ".")); + cout << endl << ">All."<< endl; + for (unsigned int i = 0; i < mobiMob.size(); i++) + cout << (mobiMob[i] == 1 ? "M" : "."); + } + + //RMSD + vector rmsd = dist.RMSD(); + //cout << "RMSD:" << endl; + cout << endl; + for (unsigned int i = 0; i < SDDevs.size(); i++) + cout << SDDevs[i] << endl; + return mobiMob; +} + +vector MobiMethods::SDFilters(vector sdm, vector const &sdsd, + vector const &dssp, vector const &phis, vector const &psis, MobiMethods &mm){ + + if (mm.verbosity() > 1) + printVector(sdm,"Initial SD"); + //DSSP non-mobile => 1->0 in SD + for (unsigned int i = 0; i < sdm.size(); i++) + if (dssp[i] == 0) + sdm[i] = 0; + if (mm.verbosity() > 1) + printVector(sdm,"After DSSP"); + + //Patterns in SD + //1011 -> 1111 + for (unsigned int i = 1; i < sdm.size() - 2; i++) + if (sdm[i] == 0 && sdm[i-1] == 1 && sdm[i+1] == 1 && sdm[i+2] == 1){ + sdm[i] = 1; + i+=2; + if (mm.verbosity() > 1) + printVector(sdm, "1011->1111"); + } + //1101 -> 1111 + for (unsigned int i = 2; i < sdm.size() - 1; i++) + if (sdm[i] == 0 && sdm[i-1] == 1 && sdm[i-2] == 1 && sdm[i+1] == 1){ + sdm[i] = 1; + i+=1; + if (mm.verbosity() > 1) + printVector(sdm, "1101->1111"); + } + //10011 -> 11111 + for (unsigned int i = 1; i < sdm.size() - 3; i++) + if (sdm[i] == 0 && sdm[i+1] == 0 && sdm[i-1] == 1 && sdm[i+2] == 1 && sdm[i+3] == 1){ + sdm[i] = 1; + sdm[i+1] = 1; + i+=3; + if (mm.verbosity() > 1) + printVector(sdm,"10011->11111"); + } + //11001 -> 11111 + for (unsigned int i = 2; i < sdm.size() -2; i++) + if (sdm[i] == 0 && sdm[i+1] == 0 && sdm[i-1] == 1 && sdm[i-2] == 1 && sdm[i+2] == 1){ + sdm[i] = 1; + sdm[i+1] = 1; + i+=2; + if (mm.verbosity() > 1) + printVector(sdm,"11001->11111"); + } + //01010 -> 00000 + for (unsigned int i = 0; i < sdm.size() - 4; i++) + if (sdm[i] == 0 && sdm[i+1] == 1 && sdm[i+2] == 0 && sdm[i+3] == 1 && sdm[i+4] == 0){ + sdm[i+1] = 0; + sdm[i+3] = 0; + i+=3; + if (mm.verbosity() > 1) + printVector(sdm,"01010->00000"); + } + //00100 -> 00000 + for (unsigned int i = 2; i < sdm.size() - 2; i++) + if (sdm[i] == 1 && sdm[i+1] == 0 && sdm[i+2] == 0 && sdm[i-1] == 0 && sdm[i-2] == 0){ + sdm[i] = 0; + i+=2; + if (mm.verbosity() > 1) + printVector(sdm,"00100->00000"); + } + //001100 -> 000000 + for (unsigned int i = 2; i < sdm.size() - 3; i++) + if (sdm[i] == 1 && sdm[i+1] == 1 && sdm[i-1] == 0 && sdm[i-2] == 0 && sdm[i+2] == 0 && sdm[i+3] == 0){ + sdm[i] = 0; + sdm[i+1] = 0; + i+=3; + if (mm.verbosity() > 1) + printVector(sdm,"001100->000000"); + } + + //Other patterns + //110->111 + for (unsigned int i = 0; i < sdm.size() - 2; i++) + if (sdm[i] == 1 && sdm[i+1] == 1 && sdm[i+2] == 0) + if (phis[i+2] == 1 && psis[i+2] == 1 && sdsd[i+2] == 1 && psis[i+1] == 1){ + sdm[i+2] = 1; + if (mm.verbosity() > 1) + printVector(sdm, "110->111"); + } + //011->111 + for (unsigned int i = 0; i < sdm.size() - 2; i++) + if (sdm[i] == 0 && sdm[i+1] == 1 && sdm[i+2] == 1) + if (phis[i] == 1 && psis[i] == 1 && sdsd[i] == 1 && phis[i+1] == 1){ + sdm[i] = 1; + if (mm.verbosity() > 1) + printVector(sdm, "011->111"); + } + + return sdm; +} diff --git a/Mobi/Sources/MobiMethods.h b/Mobi/Sources/MobiMethods.h index 094778e..c97b4a2 100644 --- a/Mobi/Sources/MobiMethods.h +++ b/Mobi/Sources/MobiMethods.h @@ -21,51 +21,111 @@ namespace Victor{ namespace Mobi{ extern const double DEF_D0; extern const AtomCode DEF_ATOM; +extern const double DEF_PHI_TH; +extern const double DEF_PSI_TH; +extern const double DEF_SD_TH; +extern const double DEF_SDSD_TH; -extern const int MOBI_VERBOSE_LEVEL; - +extern const int DEF_VERBOSE; +/** + * This class provides static methods to calculate mobility with Mobi methods.\n + * Can be instantiated to provide settings to the static methods. Default constructor provides + * default mobi parameters. + */ class MobiMethods{ public: /** - * Constructor with parameters + * Constructor with parameters. * @param _d0 (double) d0 normalization value for scaled distance * @param _atom (AtomCode) atom to use for distance calculations + * @param _sd_th (double) Scaled distance mean threshold + * @param _sdsd_th (double) Scaled distance deviation threshold + * @param _psi_th (double) Psi angles deviation threshold + * @param _phi_th (double) Phi angles deviation threshold + */ + MobiMethods(double _d0 = DEF_D0, AtomCode _atom = DEF_ATOM, double _sd_th = DEF_SD_TH, + double _sdsd_th = DEF_SDSD_TH, double _psi_th = DEF_PSI_TH, double _phi_th = DEF_PHI_TH) : + d0(_d0), atom(_atom), sd_th(_sd_th), sdsd_th(_sdsd_th), psi_th(_psi_th), phi_th(_phi_th), verbose(DEF_VERBOSE){} + + /** + * Set verbosity level + * @param v (int) verbosity to set + */ + void verbosity(int v){ + this->verbose = v; + } + + /** + * Get verbosity level + * @return (int) verbosity */ - MobiMethods(double _d0 = DEF_D0, AtomCode _atom = DEF_ATOM) : d0(_d0), atom(_atom){} + int verbosity(){ + return this->verbose; + } /** - * Calculates the Scaled distances given the ProteinModel object containing all the models. - * For all possible pair of models, Superimposition is performed and scaled distance is recorded. + * Calculates the Scaled and "simple" distances given the ProteinModel object containing all the models. + * For all possible pair of models, Superimposition is performed and distances are calculated. * @param protein (ProteinModel&) protein object containing all the models * @param tm (TMScoreBin&) TMScore binary binder - * @return (VectoCollection*) reference to an object containing all the distances + * @param scaledDist (VectoCollection&) destination of scaled distances + * @param dist (VectoCollection&) destination of distances + * @param mm (MobiMethods&) parameters */ + static void distances(ProteinModel* protein, TMScoreBinder* tm, VectorCollection& scaledDist, VectorCollection& dist, MobiMethods &mm); - static VectorCollection* scaledDistances(ProteinModel& protein, TMScoreBin& tm); + /** + * Calculate the scaled distance given two spacers + * @param mod1 (Spacer&) first model + * @param mod2 (Spacer&) second model + * @param atom (AtomCode) atom to base distance calculation on, default atom if not specified (CA) + * @param d0 (double) d0 normalization value, default value if not specified (4) + */ + static vector scaledDistance(Spacer* mod1, Spacer* mod2, AtomCode atom = DEF_ATOM, double d0 = DEF_D0); + + /** + * Calculate the "simple" distance given two spacers. + * @param mod1 (Spacer&) first model + * @param mod2 (Spacer&) second model + * @param atom (AtomCode) atom to base distance calcutation on, default atom if not specified (CA) + */ + static vector distance(Spacer* mod1, Spacer* mod2, AtomCode atom = DEF_ATOM); /** - * Calculate the scaled distance given two spacers (previously superimposed with TMScore) - * @param mod (Spacer&) model spacer - * @param ref (Spacer&) reference spacer - * @param atom (AtomCode) atom to base distance calculation on, default atom if not specified - * @param d0 (double) d0 normalization value, default value if not specified + * Given a protein containing models, populate a VectorCollection of phi angles + * @param protein (ProteinModel*) the protein to elaborate + * @param phis (VectorCollection&) output VectorCollection */ - static vector scaledDistance(Spacer& mod1, Spacer& mod2, AtomCode atom = DEF_ATOM, double d0 = DEF_D0); + static void phis(ProteinModel* protein, VectorCollection& phis); /** - * Calculate the scaled distance given two spacers (previously superimposed with TMScore). - * Parameters passed as reference to MobiMethods object - * @param mod (Spacer&) model spacer - * @param ref (Spacer&) reference spacer - * @param pars (MobiMethod&) reference to MobiMethod instance with parameters + * Given a protein containing models, populate a VectorCollection of psi angles + * @param protein (ProteinModel*) the protein to elaborate + * @param psis (VectorCollection&) output VectorCollection */ - static vector scaledDistance(Spacer& mod1, Spacer& mod2, MobiMethods& pars){ - return scaledDistance(mod1, mod2, pars.getAtom(), pars.getD0()); - } + static void psis(ProteinModel* protein, VectorCollection& psis); + /** + * Given a protein containing models, build DSSP mobility estimation.\n The returning + * vector contains values according to Mobi Methods guidelines:\n + * 0 = non mobile\n + * 1 = mobile\n + * 2 = coil + * @param protein (ProteinModel*) the protein + * @return (vector) a vector containing the DSSP estimation (0,1,2 values) + */ + static vector DSSP(ProteinModel* protein); + + + static vector mobiMobility(ProteinModel* protein, TMScoreBinder* tm, MobiMethods& settings); + + static vector SDFilters(vector sdm, vector const &sdsd, + vector const &dssp, vector const &phis, vector const &psis, MobiMethods &settings); + + //static ProteinModel* averageModel(ProteinModel* protein, TMScoreBinder* tm); double getD0(){ return this->d0; } @@ -73,12 +133,34 @@ class MobiMethods{ AtomCode getAtom(){ return this->atom; } + + double getSDTh(){ + return this->sd_th; + } + + double getSDSDTh(){ + return this->sdsd_th; + } + + double getPhiTh(){ + return this->phi_th; + } + + double getPsiTh(){ + return this->psi_th; + } + private: double d0; + double sdsd_th; + double sd_th; + double psi_th; + double phi_th; AtomCode atom; + int verbose; }; -}} +}} //Namespaces #endif /* MOBI_SOURCES_MOBIMETHODS_H_ */ diff --git a/Mobi/Sources/ProteinModel.cc b/Mobi/Sources/ProteinModel.cc index 440f294..f079979 100644 --- a/Mobi/Sources/ProteinModel.cc +++ b/Mobi/Sources/ProteinModel.cc @@ -78,8 +78,8 @@ void ProteinModel::load(PdbLoader& pl){ * @param model (unsigned int) the model to get * @return (Spacer&) the model */ -Spacer& ProteinModel::getModel(unsigned int model){ - return *(this->getSpacer(model)); +Spacer* ProteinModel::getModel(unsigned int model){ + return this->getSpacer(model); } /** @@ -98,17 +98,17 @@ void ProteinModel::SD(vector& sd, ProteinModel& ref, AtomCode atom, doub * @param atoms (vector&) names of the atoms to consider * @param d0 (double) normalization parameter, 4 is default */ -void ProteinModel::SD(vector& sd, Spacer& ref, AtomCode atom, double d0){ - Spacer& model = this->getModel(0); +void ProteinModel::SD(vector& sd, Spacer* ref, AtomCode atom, double d0){ + Spacer& model = *(this->getModel(0)); sd.clear(); - if (ref.size() != model.size()) + if (ref->size() != model.size()) ERROR("Reference protein spacer has a different number of Amino",exception); - for (unsigned int i = 0; i < ref.size(); i++){ //foreach Amino - if (ref.getAmino(i).getType() != model.getAmino(i).getType()) + for (unsigned int i = 0; i < ref->size(); i++){ //foreach Amino + if (ref->getAmino(i).getType() != model.getAmino(i).getType()) ERROR("Reference protein Aminos are not compatible",exception); Atom mAtom = model.getAmino(i).getAtom((unsigned int)atom); - Atom refAtom = ref.getAmino(i).getAtom((unsigned int)atom); + Atom refAtom = ref->getAmino(i).getAtom((unsigned int)atom); double dist; dist = sqrt(pow(mAtom.getCoords().x - refAtom.getCoords().x,2.0) diff --git a/Mobi/Sources/ProteinModel.h b/Mobi/Sources/ProteinModel.h index 1fa8abe..8b386f7 100644 --- a/Mobi/Sources/ProteinModel.h +++ b/Mobi/Sources/ProteinModel.h @@ -39,13 +39,23 @@ namespace Victor { namespace Mobi { ProteinModel() : Protein(), verbose(false){}; ProteinModel(const Protein& _orig) : Protein(_orig), verbose(false){}; + ProteinModel* clone(){ + ProteinModel* tmp = new ProteinModel(); + tmp->copy(*this); + return tmp; + } + + void copy(const ProteinModel& orig) { + Protein::copy(orig); + } + void load(PdbLoader& pl, char chain, vector models); void load(PdbLoader& pl); - Spacer& getModel(unsigned int _model); + Spacer* getModel(unsigned int _model); void SD(vector& sd, ProteinModel& ref, AtomCode atom, double d0 = 4); - void SD(vector& sd, Spacer& ref, AtomCode atom, double d0 = 4); + void SD(vector& sd, Spacer* ref, AtomCode atom, double d0 = 4); void setVerbose(bool v){ verbose = v; diff --git a/Mobi/Sources/TMScoreBin.cc b/Mobi/Sources/TMScoreBin.cc index dbbecef..abc1c21 100644 --- a/Mobi/Sources/TMScoreBin.cc +++ b/Mobi/Sources/TMScoreBin.cc @@ -40,28 +40,38 @@ const string TMTMP_IN1 = "tmin1.pdb.tmp"; const string TMTMP_IN2 = "tmin2.pdb.tmp"; const string TMTMP_OUT = "tmout.pdb.tmp"; -void TMScoreBin::TMImpose(ProteinModel& prot, unsigned int model, unsigned int native, ProteinModel** imposedModel){ +/** + * @brief the TMScore output is not pdb conformant. This static method read the output and fix it in a memory buffer. + * Then loads a ProteinModel with the superimposed model only. + * @param pdbFile (string) full path to TMScore output + * @param imposedModel (ProteinModel**) double pointer of type PRoteinModel, as output + */ +void spacerFromTMOutput(string pdbFile, ProteinModel** imposedModel); + - std::stringstream sstm; - sstm << "TMScore between models " << model << " and " << native; - DEBUG_MSG(sstm.str()); +void TMScoreBin::TMImpose(ProteinModel& prot1, unsigned int model1, ProteinModel& prot2, unsigned int model2, ProteinModel** imposedModel){ + if (verbose) + cout << "TMScore between models " << model1 << " and " << model2; //Save spacers in pdb files std::ofstream fout; PdbSaver ps(fout); fout.open((tmp + TMTMP_IN1).c_str()); - ps.saveSpacer(prot.getModel(model)); + ps.saveSpacer(*(prot1.getModel(model1))); ps.endFile(); fout.close(); fout.open((tmp + TMTMP_IN2).c_str()); - ps.saveSpacer(prot.getModel(native)); + ps.saveSpacer(*(prot2.getModel(model2))); ps.endFile(); fout.close(); - //Call TMScore binary return TMImpose((tmp + TMTMP_IN1), (tmp + TMTMP_IN2), imposedModel); } +void TMScoreBin::TMImpose(ProteinModel& prot, unsigned int model1, unsigned int model2, ProteinModel** imposedModel){ + return TMImpose(prot,model1,prot,model2,imposedModel); +} + void TMScoreBin::TMImpose(string modelFile, string nativeFile, ProteinModel** imposedModel){ double score = -1; if (access(modelFile.c_str(), R_OK) == 0 && access(nativeFile.c_str(), R_OK) == 0){ @@ -89,6 +99,7 @@ void TMScoreBin::TMImpose(string modelFile, string nativeFile, ProteinModel** im char * tok; tok = strtok(buffer,"\n\r"); while (tok != NULL){ + //cout << string(tok) << endl; if (string(tok).find("TM-score") == 0) if (string(tok).find("=") > 0) score = std::strtod(string(tok).substr(string(tok).find("=")+2,6).c_str(),NULL); @@ -109,7 +120,7 @@ void TMScoreBin::TMImpose(string modelFile, string nativeFile, ProteinModel** im return spacerFromTMOutput(tmp + TMTMP_OUT + "_atm", imposedModel); } -void TMScoreBin::spacerFromTMOutput(string pdbFile, ProteinModel** imposedModel){ +void spacerFromTMOutput(string pdbFile, ProteinModel** imposedModel){ if (access(pdbFile.c_str(), R_OK) != 0) ERROR("Cannot read pdb file to fix",exception); @@ -134,8 +145,7 @@ void TMScoreBin::spacerFromTMOutput(string pdbFile, ProteinModel** imposedModel) buffer.seekg(0); //Load from memory buffer PdbLoader pl(buffer); - if (!verbose) - pl.setNoVerbose(); + pl.setNoVerbose(); //Load and return protein object *imposedModel = new ProteinModel(); pl.setModel(1); diff --git a/Mobi/Sources/TMScoreBin.h b/Mobi/Sources/TMScoreBin.h index 99ec9a4..c404c03 100644 --- a/Mobi/Sources/TMScoreBin.h +++ b/Mobi/Sources/TMScoreBin.h @@ -12,6 +12,7 @@ #include #include #include +#include using namespace Victor::Biopool; using namespace Victor::Mobi; @@ -27,13 +28,14 @@ namespace Victor { namespace Mobi { /** * @brief TMScore functionalities through external binary. */ - class TMScoreBin{ + class TMScoreBin: public TMScoreBinder{ public: /** * @brief Setup. * @param _binary (string) full path to binary TMScore file, must have execution permission * @param _tmp (string) full path to temp dir, must have write permission + * @param _verbose (bool) verbosity */ TMScoreBin(std::string _binary = "TMScore", std::string _tmp = ".", bool _verbose = false) : binary(_binary), @@ -61,13 +63,18 @@ namespace Victor { namespace Mobi { */ virtual void TMImpose(ProteinModel& prot, unsigned int model, unsigned int native, ProteinModel** imposedModel); + /** - * @brief the TMScore output is not pdb conformant. This static method read the output and fix it in a memory buffer. - * Then loads a ProteinModel with the superimposed model only. - * @param pdbFile (string) full path to TMScore output - * @param imposedModel (ProteinModel**) double pointer of type PRoteinModel, as output + * @brief Superimposition of two models through call to TMScore binary + * The superimposed (rotated/traslated) model is then loaded in a ProteinModel using the double pointer provided. + * @param prot1(ProteinModel&) reference to the fist ProteinModel + * @param model1 (unsigned int) model#1 name in the first ProteinModel object + * @param prot2(ProteinModel&) reference to the second ProteinModel + * @param model2 (unsigned int) model#2 name in the second ProteinModel object + * @param imposedModel(ProteinModel**) double pointer of type ProteinModel, as output */ - virtual void spacerFromTMOutput(string pdbFile, ProteinModel** imposedModel); + virtual void TMImpose(ProteinModel& prot1, unsigned int model1, ProteinModel& prot2, unsigned int model2, ProteinModel** imposedModel); + /** * Set verbosity. @@ -81,7 +88,7 @@ namespace Victor { namespace Mobi { /** * Default deconstructor */ - ~TMScoreBin(){}; + virtual ~TMScoreBin(){}; private: diff --git a/Mobi/Sources/VectorCollection.h b/Mobi/Sources/VectorCollection.h index 58af296..3864611 100644 --- a/Mobi/Sources/VectorCollection.h +++ b/Mobi/Sources/VectorCollection.h @@ -41,6 +41,13 @@ class VectorCollection{ delete results; } + /** + * Clear the collection deleting all elements in it + */ + void clear(){ + results->clear(); + } + /** * Add values (for example scaled distance vector) to this collection * @param id (int) values id @@ -117,14 +124,26 @@ class VectorCollection{ vector mean = this->mean(); vector sd = vector(this->vectorsSize(),0.0); std::map >::const_iterator it; - for (it = this->results->begin(); it != this->results->end(); ++it) - for (unsigned int a = 0; a < this->vectorsSize(); a++) - sd[a] += pow(it->second[a] - mean[a],2); + for (it = this->results->begin(); it != this->results->end(); ++it) //foreach distance record + for (unsigned int a = 0; a < this->vectorsSize(); a++) //foreach residue + sd[a] += pow(it->second[a] - mean[a],2); //cumulate the 2pow of distance minus mean for (unsigned int a = 0; a < this->vectorsSize(); a++) sd[a] = sqrt(sd[a] / this->size()); return sd; } + vector RMSD(){ + vector rmsd = vector(this->vectorsSize(),0.0); + std::map >::const_iterator it; + for (it = this->results->begin(); it != this->results->end(); ++it) //foreach distance record + for (unsigned int a = 0; a < this->vectorsSize(); a++) //foreach residue + rmsd[a] += pow(it->second[a],2); //cumulate the 2pow of distance + for (unsigned int a = 0; a < this->vectorsSize(); a++) //foreach residue + rmsd[a] = sqrt(rmsd[a] / this->size()); //final value + return rmsd; + } + + protected: std::map > *results; }; diff --git a/Mobi/Tests/Makefile b/Mobi/Tests/Makefile index 13acb4d..3010487 100644 --- a/Mobi/Tests/Makefile +++ b/Mobi/Tests/Makefile @@ -26,7 +26,7 @@ INC_PATH = -I. -I../../tools/ -I../../Biopool/Sources -I../../Mobi/Sources # Objects and headers # -SOURCES = TestMobi.cc TestVectorCollection.h +SOURCES = TestMobi.cc TestVectorCollection.h TestProteinModel.h TestTM.h TestMobiMethods.h OBJECTS = $(SOURCES:.cpp=.o) diff --git a/Mobi/Tests/TestMobi.cc b/Mobi/Tests/TestMobi.cc index 9d2aab6..9464a96 100644 --- a/Mobi/Tests/TestMobi.cc +++ b/Mobi/Tests/TestMobi.cc @@ -13,6 +13,7 @@ #include #include #include +#include using namespace std; @@ -23,8 +24,9 @@ int main() { // runner.addTest(TestVectorCollection::suite()); // runner.addTest(TestProteinModel::suite()); // runner.addTest(TestTM::suite()); - runner.addTest(TestMobiMethods::suite()); - cout<< "Running the unit tests." << endl; +// runner.addTest(TestMobiMethods::suite()); + runner.addTest(MadTests::suite()); + cout<< "Running the unit tests. " << endl; runner.run(); return 0; diff --git a/Mobi/Tests/TestProteinModel.h b/Mobi/Tests/TestProteinModel.h index f5061f1..ee28947 100644 --- a/Mobi/Tests/TestProteinModel.h +++ b/Mobi/Tests/TestProteinModel.h @@ -61,12 +61,12 @@ class TestProteinModel : public CppUnit::TestFixture { prot.load(pl,0,models); cout << "Getting models back" << endl; CPPUNIT_ASSERT(prot.size() == 3); - Spacer m1 = prot.getModel(0); - Spacer m2 = prot.getModel(1); - Spacer m3 = prot.getModel(2); - CPPUNIT_ASSERT(m1.getAmino(0).getType() == "GLY"); - CPPUNIT_ASSERT(m2.getAmino(1).getType() == "SER"); - CPPUNIT_ASSERT(m3.getAmino(2).getType() == "GLY"); + Spacer* m1 = prot.getModel(0); + Spacer* m2 = prot.getModel(1); + Spacer* m3 = prot.getModel(2); + CPPUNIT_ASSERT(m1->getAmino(0).getType() == "GLY"); + CPPUNIT_ASSERT(m2->getAmino(1).getType() == "SER"); + CPPUNIT_ASSERT(m3->getAmino(2).getType() == "GLY"); cout << "All fine!" << endl; } }; diff --git a/Mobi/Tests/TestTM.h b/Mobi/Tests/TestTM.h index 3807892..14e90a0 100644 --- a/Mobi/Tests/TestTM.h +++ b/Mobi/Tests/TestTM.h @@ -16,6 +16,7 @@ #include #include #include +#include using namespace std; using namespace Victor::Mobi; @@ -53,8 +54,8 @@ class TestTM : public CppUnit::TestFixture { ERROR("Input file not found.", exception); //models to load vector models = vector(); - models.push_back(1); - models.push_back(2); + models.push_back(3); + models.push_back(4); //loading models PdbLoader pl(inFile); @@ -69,16 +70,20 @@ class TestTM : public CppUnit::TestFixture { ProteinModel* superImposed; tmsb.TMImpose(prot,0,1,&superImposed); + + //AminoAcid& aa = prot.getModel(0)->getAmino(1); + //Spacer* ss = prot.getModel(0); + //save superimposed model to file std::ofstream fout; PdbSaver ps(fout); fout.open((TMDir + "superimposed_TM-Test.pdb").c_str()); - ps.saveSpacer(superImposed->getModel(0)); + ps.saveSpacer(*(superImposed->getModel(0))); ps.endFile(); fout.close(); - CPPUNIT_ASSERT(superImposed->getModel(0).sizeAmino() == 109); - CPPUNIT_ASSERT(superImposed->getModel(0).getAmino(0).getType() == "GLY"); + CPPUNIT_ASSERT(superImposed->getModel(0)->sizeAmino() == 109); + CPPUNIT_ASSERT(superImposed->getModel(0)->getAmino(0).getType() == "GLY"); cout << "TM Test OK!" << endl; } }; From c5d31bc82c8a501d6b10b69963f75c7bbb578f99 Mon Sep 17 00:00:00 2001 From: LucaDemo Date: Sun, 12 Jul 2015 00:10:05 +0200 Subject: [PATCH 16/25] - Mobi first beta build - Need fixes to documentation --- Mobi/APPS/Mobi.cc | 178 ++++++++++++++++++------------ Mobi/Sources/MobiMethods.cc | 99 +++++------------ Mobi/Sources/MobiMethods.h | 165 ++++++++++++++++++--------- Mobi/Sources/ProteinModel.cc | 28 ++--- Mobi/Sources/ProteinModel.h | 10 +- Mobi/Sources/TMScoreBin.cc | 13 ++- Mobi/Sources/TMScoreBin.h | 9 +- Mobi/Sources/VectorCollection.h | 92 +++++++++++++-- Mobi/Tests/TestMobi.cc | 3 +- Mobi/Tests/TestProteinModel.h | 5 +- Mobi/Tests/TestTM.h | 10 +- Mobi/Tests/TestVectorCollection.h | 38 +++---- 12 files changed, 386 insertions(+), 264 deletions(-) diff --git a/Mobi/APPS/Mobi.cc b/Mobi/APPS/Mobi.cc index 0fbf0f6..82c31b1 100644 --- a/Mobi/APPS/Mobi.cc +++ b/Mobi/APPS/Mobi.cc @@ -26,48 +26,57 @@ #include #include #include -#include +#include +#include + #include +#include using namespace Victor; using namespace Victor::Biopool; using namespace Victor::Mobi; void sShowHelp() { - cout << "Help message goes here...\n\n"; -} - -vector splitString(std::string in, char del){ - vector toks; - std::stringstream ss(in); - std::string tok; - - while(std::getline(ss, tok, del)){ - toks.push_back(tok); - } - return toks; + cout << "Victor - Mobi NMR Mobility: 1.0\n" + << "Mobility defined accordingly with http://protein.bio.unipd.it/mobi/" + << "Options: \n" + << "\t-i \t Input PDB file\n" + << "\t-o \t Output mobility tracks to FASTA file (default stdout)\n" + << "\t-p \t Output ordered models in PDB file (default is no output)\n" + << "\t-c \t Chain identifier to read (default if first)\n" + << "\t-m \t NMR models numbers to read, comma separated list (default is all) \n" + << "\t-t \t TMscore binary path (default is ./TMscore)\n" + << "\t-v \t verbose output\n" + << "\t-d \t even more verbose output (lot of details)\n" + << "\t-h \t shows this message\n"; } int main(int argc, char* argv[]) { + cout << "Victor Mobi Mobility Calculator" << endl; + cout << "v. 0.1" << endl << endl; - DEBUG_MSG("Welcome to Mobi!"); //If -h specified, show help message if (getArg("h", argc, argv)) { sShowHelp(); return 1; } - string inputFile, outputFile, chainID, modelList; + string inputFile, outputFile, outputPdb, tmbin, chainID, modelList; + bool saveFasta = true, savePdb = true, verbose, debug; vector models; - unsigned int modevelNum; - bool chi; getArg("i", inputFile, argc, argv, "!"); getArg("o", outputFile, argc, argv, "!"); + getArg("p", outputPdb, argc, argv, "!"); + getArg("t", tmbin, argc, argv, "!"); getArg("c", chainID, argc, argv, "!"); getArg("m", modelList, argc, argv, "!"); - chi = getArg("-chi", argc, argv); + verbose = getArg("v", argc, argv); + debug = getArg("d", argc, argv); + + if (debug) + verbose = true; // Check input file if (inputFile == "!") { @@ -77,13 +86,31 @@ int main(int argc, char* argv[]) { ifstream inFile(inputFile.c_str()); if (!inFile) ERROR("Input file not found.", exception); + // Check output file + if (outputFile == "!") { + saveFasta = false; + } + // Check output pdb + if (outputPdb == "!") { + savePdb = false; + } + // check TM + if (tmbin == "!") { + tmbin = "./TMscore"; + } + if(access(tmbin.c_str(), X_OK) != 0){ + ERROR("TM binary (" + tmbin + ") does not exist or not executable.", exception); + } - PdbLoader pl(inFile); - vector model; + + //MOBI + PdbLoader pl(inFile); // Set PdbLoader variables - if (!getArg("v", argc, argv)) { + if (!debug) { pl.setNoVerbose(); + }else{ + pl.setVerbose(); } // User selected chain @@ -92,72 +119,81 @@ int main(int argc, char* argv[]) { ERROR("You can choose only 1 chain", error); pl.setChain(chainID[0]); pl.checkAndSetChain(); + if (verbose) + cout << "Selected chain: " << chainID[0] << endl; }// First chain else { pl.setChain(pl.getAllChains()[0]); + if (verbose) + cout << "Selected chain: " << pl.getAllChains()[0] << endl; } // User selected models if (modelList != "!"){ models = sToVectorOfUIntDEF(translate(modelList,',',' ')); for (unsigned int i = 0; i < models.size(); i++) - if (models[i] > pl.getMaxModels()) + if (models[i] > pl.getMaxModels() || models[i] < 1) ERROR("You specified out of bound model number(s). Max for this input pdb is " + pl.getMaxModels(), exception); }else{ for (unsigned int i = 1; i <= pl.getMaxModels(); i++) models.push_back(i); } - + if (verbose){ + cout << "Selected models: "; + for (unsigned int i = 0; i < models.size(); i++) + cout << models[i] << " "; + cout << endl; + } // Load the protein object + ProteinModel* prot = new ProteinModel(); + if (debug) + prot->setVerbose(true); + else + prot->setVerbose(false); + if (verbose) + cout << "Loading models..." << endl; + prot->load(pl,models); + cout << endl; + + // TMscore: here we use the external binary + TMScoreBinder* tm = new TMScoreBin(tmbin,"."); + // Default constructor for default thresholds + MobiMethods mm; + if (verbose) + mm.verbosity(1); //Outputs tracks on cout + if (debug) + mm.verbosity(2); //Output tracks and other calculation details + + //Mobility + cout << "Mobility calculation..." << endl; + vector mobility = mm.mobiMobility(prot,tm); + + if (verbose){ //cout output + MobiUtils::printFastaFile(mm); + cout << endl; + } + if (saveFasta){ //save fasta + ofstream fastaOut(outputFile.c_str()); + MobiUtils::printFastaFile(mm,fastaOut); + fastaOut.close(); + if (verbose) + cout << "Tracks saved in FASTA file: " << outputFile << endl; + } - // Open the proper output stream (file or stdout) - //std::ofstream fout; - - - ProteinModel prot; - //PdbSaver ps(cout); - models = vector(); - models.push_back(3); - models.push_back(1); - models.push_back(4); - models.push_back(6); - models.push_back(5); - models.push_back(8); - models.push_back(7); - models.push_back(2); - //models.push_back(3); - prot.load(pl,0,models); - - - /* - for (unsigned int i = 1; i < 5; i++){ - std::ostringstream ss; - ss << "pdbout" << i << ".pdb"; - fout.open(ss.str().c_str()); - ps.saveSpacer(prot1.getModel(i)); - ps.endFile(); - fout.close(); - } - */ - TMScoreBin tm("TMScore","."); - Spacer sss; - //cout << "TM-score = " << tm.tms(prot, 0, 1, sss); - - - //dtf - - - /* - ProteinModel prot2; - fout.open("pdbout2.pdb"); - //pl.setModel(2); - prot2.load(pl); - //prot2.load(pl); - cout << "sizeProtein = " << prot2.sizeProtein() << endl; - ps.saveSpacer(prot2.getModel(0)); - ps.endFile(); - fout.close(); - */ + if (savePdb){ //save Pdb + ofstream pdbOut(outputPdb.c_str()); + MobiUtils::saveMobiPdb(prot,MobiUtils::sortModels(mm.getDistances()),mm.getSDMeans(), mm.getSDDevs(),pdbOut); + pdbOut.close(); + if (verbose) + cout << "Models saved in Pdb file: " << outputPdb << endl; + } + + //Close + delete prot; + delete tm; + + //Goodbye + cout << endl << "Done." << endl; return 0; } diff --git a/Mobi/Sources/MobiMethods.cc b/Mobi/Sources/MobiMethods.cc index 279162a..7c6f807 100644 --- a/Mobi/Sources/MobiMethods.cc +++ b/Mobi/Sources/MobiMethods.cc @@ -9,8 +9,8 @@ #include #include #include +#include #include -#include <./Utils.h> using namespace Victor::Biopool; using namespace Victor::Mobi; @@ -43,17 +43,16 @@ void MobiMethods::distances(ProteinModel* protein, TMScoreBinder* tm, VectorColl //Perform superimposition for every model pair for (unsigned int i = 0; i < protein->size(); i++) for (unsigned int j = i+1; j < protein->size(); j++){ - tm->TMImpose(*protein,i,j,&imposed); + tm->TMScore(*protein,i,j,&imposed); tmpDist = scaledDistance(imposed->getModel(0),protein->getModel(j), mm.getAtom(), mm.getD0()); scaledDist.addValue((i*1000 + j), tmpDist); - tmpDist = distance(imposed->getModel(0),protein->getModel(j), mm.getAtom()); dist.addValue((i*1000 + j), tmpDist); delete imposed; } } -static vector distance(Spacer* mod1, Spacer* mod2, AtomCode atom){ +vector MobiMethods::distance(Spacer* mod1, Spacer* mod2, AtomCode atom){ if (mod2->size() != mod1->size()) ERROR("Reference protein spacer has a different number of Aminos",exception); vector dist(mod1->size()); @@ -69,7 +68,7 @@ static vector distance(Spacer* mod1, Spacer* mod2, AtomCode atom){ } -static vector scaledDistance(Spacer* mod1, Spacer* mod2, AtomCode atom, double d0){ +vector MobiMethods::scaledDistance(Spacer* mod1, Spacer* mod2, AtomCode atom, double d0){ if (mod2->size() != mod1->size()) ERROR("Reference protein spacer has a different number of Aminos",exception); vector sd(mod1->size()); @@ -110,7 +109,7 @@ void MobiMethods::psis(ProteinModel* protein, VectorCollection& psis){ } } -vector MobiMethods::DSSP(ProteinModel* protein){ +vector MobiMethods::secondaryMobi(ProteinModel* protein){ //Check for errors in protein unsigned int const protLen = protein->size(); if (protLen < 1) @@ -157,88 +156,50 @@ vector MobiMethods::DSSP(ProteinModel* protein){ -vector MobiMethods::mobiMobility(ProteinModel* protein, TMScoreBinder* tm, MobiMethods& mm){ +vector MobiMethods::mobiMobility(ProteinModel* protein, TMScoreBinder* tm){ //Scaled Distances - if (mm.verbosity() > 1) - cout << "Scaled Distances..." << endl; - VectorCollection scaledDist; //Scaled distances - VectorCollection dist; //"Simple" distances - distances(protein,tm,scaledDist,dist,mm); + distances(protein,tm,scaledDist,dist,*this); + + //Set sequence + for (unsigned int i = 0; i < protein->getModel(0)->sizeAmino(); i++) + sequence.push_back(protein->getModel(0)->getAmino(i).getType1L()); //Scaled Distances Mean - vector SDMeans = scaledDist.mean(); - vector SDMeanMobility(SDMeans.size()); + SDMeans = scaledDist.mean(); + SDMeanMobility= vector(SDMeans.size()); for (unsigned int i = 0; i < SDMeans.size(); i++) - SDMeanMobility[i] = SDMeans[i] < mm.getSDTh() ? 1 : 0; + SDMeanMobility[i] = SDMeans[i] < sd_th ? 1 : 0; //Scaled Distances deviations - if (mm.verbosity() > 1) - cout << "Scaled Distances deviations..." << endl; - vector SDDevs = scaledDist.stdDev(); - vector SDDevsMobility(SDDevs.size()); + SDDevs = scaledDist.stdDev(); + SDDevsMobility = vector(SDDevs.size()); for (unsigned int i = 0; i < SDDevs.size(); i++) - SDDevsMobility[i] = SDDevs[i] > mm.getSDSDTh() ? 1 : 0; + SDDevsMobility[i] = SDDevs[i] > sdsd_th ? 1 : 0; VectorCollection angles; //Psi angles - if (mm.verbosity() > 1) - cout << "Psi angles..." << endl; psis(protein,angles); //values are cleared inside getPhis - vector psis = angles.stdDev(); - vector PsiMobility(psis.size()); - for (unsigned int i = 0; i < psis.size(); i++) - PsiMobility[i] = psis[i] > mm.getPsiTh() ? 1 : 0; + psisAngles = angles.stdDev(); + PsiMobility = vector(psisAngles.size()); + for (unsigned int i = 0; i < psisAngles.size(); i++) + PsiMobility[i] = psisAngles[i] > psi_th ? 1 : 0; //Phi angles - if (mm.verbosity() > 1) - cout << "Phi angles..." << endl; phis(protein,angles); //values are cleared inside getPhis - vector phis = angles.stdDev(); - vector PhiMobility(phis.size()); - for (unsigned int i = 0; i < phis.size(); i++) - PhiMobility[i] = phis[i] > mm.getPhiTh() ? 1 : 0; - //DSSP - if (mm.verbosity() > 1) - cout << "DSSP..." << endl; - vector dsspMobility = DSSP(protein); + phisAngles = angles.stdDev(); + PhiMobility = vector(phisAngles.size()); + for (unsigned int i = 0; i < phisAngles.size(); i++) + PhiMobility[i] = phisAngles[i] > phi_th ? 1 : 0; + //Secondary mobility + secMobility = secondaryMobi(protein); //Calculate Mobi Mobility - vector mobiMob = SDFilters(SDMeanMobility, SDDevsMobility, dsspMobility, PhiMobility, PsiMobility, mm); + mobiMob = SDFilters(SDMeanMobility, SDDevsMobility, secMobility, PhiMobility, PsiMobility, *this); - - //Output - if (mm.verbosity() > 0){ - cout << "\n\n*** MOBI Mobility summary ***" << endl; - cout << endl << ">Scaled Distance Mean. Th = " << mm.getSDTh() << endl; - for (unsigned int i = 0; i < SDMeanMobility.size(); i++) - cout << (SDMeanMobility[i] == 1 ? "M" : "."); - cout << endl << ">Scaled Distance Deviation. Th = " << mm.getSDSDTh() << endl; - for (unsigned int i = 0; i < SDDevsMobility.size(); i++) - cout << (SDDevsMobility[i] == 1 ? "M" : "."); - cout << endl << ">Phi angle deviation. Th = " << mm.getPhiTh() << endl; - for (unsigned int i = 0; i < PhiMobility.size(); i++) - cout << (PhiMobility[i] == 1 ? "M" : "."); - cout << endl << ">Psi angle deviation. Th = " << mm.getPsiTh() << endl; - for (unsigned int i = 0; i < PsiMobility.size(); i++) - cout << (PsiMobility[i] == 1 ? "M" : "."); - cout << endl << ">DSSP mobility." << endl; - for (unsigned int i = 0; i < dsspMobility.size(); i++) - cout << (dsspMobility[i] == 1 ? "M" : (dsspMobility[i] == 2 ? "c" : ".")); - cout << endl << ">All."<< endl; - for (unsigned int i = 0; i < mobiMob.size(); i++) - cout << (mobiMob[i] == 1 ? "M" : "."); - } - - //RMSD - vector rmsd = dist.RMSD(); - //cout << "RMSD:" << endl; - cout << endl; - for (unsigned int i = 0; i < SDDevs.size(); i++) - cout << SDDevs[i] << endl; return mobiMob; } -vector MobiMethods::SDFilters(vector sdm, vector const &sdsd, +vector MobiMethods::SDFilters(vector const &sd, vector const &sdsd, vector const &dssp, vector const &phis, vector const &psis, MobiMethods &mm){ - + vector sdm = sd; if (mm.verbosity() > 1) printVector(sdm,"Initial SD"); //DSSP non-mobile => 1->0 in SD diff --git a/Mobi/Sources/MobiMethods.h b/Mobi/Sources/MobiMethods.h index c97b4a2..c13f8b4 100644 --- a/Mobi/Sources/MobiMethods.h +++ b/Mobi/Sources/MobiMethods.h @@ -38,20 +38,20 @@ class MobiMethods{ /** * Constructor with parameters. - * @param _d0 (double) d0 normalization value for scaled distance - * @param _atom (AtomCode) atom to use for distance calculations - * @param _sd_th (double) Scaled distance mean threshold - * @param _sdsd_th (double) Scaled distance deviation threshold - * @param _psi_th (double) Psi angles deviation threshold - * @param _phi_th (double) Phi angles deviation threshold + * @param _d0 d0 normalization value for scaled distance + * @param _atom atom to use for distance calculations + * @param _sd_th Scaled distance mean threshold + * @param _sdsd_th Scaled distance deviation threshold + * @param _psi_th Psi angles deviation threshold + * @param _phi_th Phi angles deviation threshold */ MobiMethods(double _d0 = DEF_D0, AtomCode _atom = DEF_ATOM, double _sd_th = DEF_SD_TH, double _sdsd_th = DEF_SDSD_TH, double _psi_th = DEF_PSI_TH, double _phi_th = DEF_PHI_TH) : - d0(_d0), atom(_atom), sd_th(_sd_th), sdsd_th(_sdsd_th), psi_th(_psi_th), phi_th(_phi_th), verbose(DEF_VERBOSE){} + d0(_d0), atom(_atom), sd_th(_sd_th), sdsd_th(_sdsd_th), psi_th(_psi_th), phi_th(_phi_th), verbose(DEF_VERBOSE){} /** * Set verbosity level - * @param v (int) verbosity to set + * @param v verbosity to set */ void verbosity(int v){ this->verbose = v; @@ -59,7 +59,7 @@ class MobiMethods{ /** * Get verbosity level - * @return (int) verbosity + * @return verbosity */ int verbosity(){ return this->verbose; @@ -68,43 +68,43 @@ class MobiMethods{ /** * Calculates the Scaled and "simple" distances given the ProteinModel object containing all the models. * For all possible pair of models, Superimposition is performed and distances are calculated. - * @param protein (ProteinModel&) protein object containing all the models - * @param tm (TMScoreBin&) TMScore binary binder - * @param scaledDist (VectoCollection&) destination of scaled distances - * @param dist (VectoCollection&) destination of distances - * @param mm (MobiMethods&) parameters + * @param protein pointer to protein object containing all the models + * @param tm pointer to TMScore binary binder + * @param scaledDist destination of scaled distances + * @param dist destination of distances + * @param mm reference to MobiMethod object for mobi parameters */ static void distances(ProteinModel* protein, TMScoreBinder* tm, VectorCollection& scaledDist, VectorCollection& dist, MobiMethods &mm); /** - * Calculate the scaled distance given two spacers - * @param mod1 (Spacer&) first model - * @param mod2 (Spacer&) second model - * @param atom (AtomCode) atom to base distance calculation on, default atom if not specified (CA) - * @param d0 (double) d0 normalization value, default value if not specified (4) + * Calculate the scaled distance given two models + * @param mod1 the first model (Spacer pointer) + * @param mod2 the second model (Spacer pointer) + * @param atom atom to base distance calculation on, default atom if not specified (CA) + * @param d0 d0 normalization value, default value if not specified (4) */ static vector scaledDistance(Spacer* mod1, Spacer* mod2, AtomCode atom = DEF_ATOM, double d0 = DEF_D0); /** - * Calculate the "simple" distance given two spacers. - * @param mod1 (Spacer&) first model - * @param mod2 (Spacer&) second model + * Calculate the "simple" distance given two models. + * @param mod1 the first model (Spacer pointer) + * @param mod2 the second model (Spacer pointer) * @param atom (AtomCode) atom to base distance calcutation on, default atom if not specified (CA) */ static vector distance(Spacer* mod1, Spacer* mod2, AtomCode atom = DEF_ATOM); /** * Given a protein containing models, populate a VectorCollection of phi angles - * @param protein (ProteinModel*) the protein to elaborate - * @param phis (VectorCollection&) output VectorCollection + * @param protein pointer to the protein to elaborate + * @param phis output VectorCollection */ static void phis(ProteinModel* protein, VectorCollection& phis); /** * Given a protein containing models, populate a VectorCollection of psi angles - * @param protein (ProteinModel*) the protein to elaborate - * @param psis (VectorCollection&) output VectorCollection + * @param protein pointer to the protein to elaborate + * @param psis output VectorCollection */ static void psis(ProteinModel* protein, VectorCollection& psis); @@ -114,41 +114,91 @@ class MobiMethods{ * 0 = non mobile\n * 1 = mobile\n * 2 = coil - * @param protein (ProteinModel*) the protein - * @return (vector) a vector containing the DSSP estimation (0,1,2 values) + * @param protein reference to the protein + * @return a vector containing the secondary mobility estimation (0,1,2 values) */ - static vector DSSP(ProteinModel* protein); + static vector secondaryMobi(ProteinModel* protein); + /** + * Performs mobility calculation + * @param protein pointer to the protein to process + * @param tm pointer to TM imposer + * @param settings reference to MobiMethods object for Mobi parameters + * @param output reference to output destination (fasta), default is cout + * @return a vector of mobility values (0,1) + */ + vector mobiMobility(ProteinModel* protein, TMScoreBinder* tm); + + /** + * Applies Mobi filters to Scaled Distance mobility track to obtain final mobility values + * @param sdm vector of scaled distance mobility track + * @param sdsd vector scaled distance std dev mobility track + * @param sec vector secondary structure mobility track + * @param phis vector phi angles mobility track + * @param psis vector psi angles mobility track + * @param settings reference to MobiMethods object for mobi parameters + * @return vector of filtered mobility ("all" mobility) + */ + static vector SDFilters(vector const &sdm, vector const &sdsd, + vector const &sec, vector const &phis, vector const &psis, MobiMethods &settings); + + /** + * Applies Mobi filters to Scaled Distance mobility track to obtain final mobility values + * @param sdm vector of scaled distance mobility track + * @param sdsd vector scaled distance std dev mobility track + * @param sec vector secondary structure mobility track + * @param phis vector phi angles mobility track + * @param psis vector psi angles mobility track + * @param settings reference to MobiMethods object for mobi parameters + * @return vector of filtered mobility ("all" mobility) + */ + static vector SDFilters(MobiMethods &settings){ + return SDFilters(settings.getSDMeanMobility(), settings.getSDDevsMobility(), settings.getSecMobility(), settings.getPhiMobility(), + settings.getPsiMobility(), settings); + } - static vector mobiMobility(ProteinModel* protein, TMScoreBinder* tm, MobiMethods& settings); - static vector SDFilters(vector sdm, vector const &sdsd, - vector const &dssp, vector const &phis, vector const &psis, MobiMethods &settings); //static ProteinModel* averageModel(ProteinModel* protein, TMScoreBinder* tm); - double getD0(){ - return this->d0; - } + double getD0(){ return this->d0;} - AtomCode getAtom(){ - return this->atom; - } + AtomCode getAtom(){return this->atom;} - double getSDTh(){ - return this->sd_th; - } + double getSDTh(){return this->sd_th;} - double getSDSDTh(){ - return this->sdsd_th; - } + double getSDSDTh(){return this->sdsd_th;} - double getPhiTh(){ - return this->phi_th; - } + double getPhiTh(){return this->phi_th;} + + double getPsiTh(){return this->psi_th;} + + + const vector getSDMeans(){return SDMeans;} + + const vector getSDMeanMobility(){return SDMeanMobility;} + + const vector getSDDevs(){return SDDevs;} + + const vector getSDDevsMobility(){return SDDevsMobility;} + + const vector getPsisAngles(){return psisAngles;} + + const vector getPsiMobility(){return PsiMobility;} + + const vector getPhisAngles(){return phisAngles;} + + const vector getPhiMobility(){return PhiMobility;} + + const vector getSecMobility(){return secMobility;} + + const vector getMobiMobility(){return mobiMob;} + + const vector getSequence(){return sequence;} + + VectorCollection& getDistances(){return dist;} + + VectorCollection& getScaledDistances(){return scaledDist;} - double getPsiTh(){ - return this->psi_th; - } private: double d0; @@ -158,6 +208,21 @@ class MobiMethods{ double phi_th; AtomCode atom; int verbose; + + vector sequence; + vector SDMeans; + vector SDMeanMobility; + vector SDDevs; + vector SDDevsMobility; + vector psisAngles; + vector PsiMobility; + vector phisAngles; + vector PhiMobility; + vector secMobility; + vector mobiMob; + + VectorCollection scaledDist; //Scaled distances + VectorCollection dist; //"Simple" distances }; }} //Namespaces diff --git a/Mobi/Sources/ProteinModel.cc b/Mobi/Sources/ProteinModel.cc index f079979..d79287d 100644 --- a/Mobi/Sources/ProteinModel.cc +++ b/Mobi/Sources/ProteinModel.cc @@ -36,41 +36,31 @@ using namespace Victor::Biopool; * @param chain (char) name of the chain to load, 0 = first chain (default) * @param model (vector) models to load (accordind to pdb file model names), */ -void ProteinModel::load(PdbLoader& pl, char chain, vector models){ +vector ProteinModel::load(PdbLoader& pl, vector models){ if (verbose) cout << "Loading protein models..." <>>model#" << models[i] << endl; - cout.flush(); - } pl.setModel(models[i]); pl.checkModel(); this->Protein::load(pl); + this->modelsID.push_back(models[i]); } + return models; } -void ProteinModel::load(PdbLoader& pl){ - if (!verbose) - pl.setNoVerbose(); +vector ProteinModel::load(PdbLoader& pl){ + vector models; //Load Models - for(unsigned int i = 1; i <= pl.getMaxModels(); i++){ - if (verbose) - cout << "\t>>>model#" << i << endl; - pl.setModel(i); - pl.checkModel(); - this->Protein::load(pl); - } + for(unsigned int i = 1; i <= pl.getMaxModels(); i++) + models.push_back(i); + return load(pl,models); } /** diff --git a/Mobi/Sources/ProteinModel.h b/Mobi/Sources/ProteinModel.h index 8b386f7..07ff710 100644 --- a/Mobi/Sources/ProteinModel.h +++ b/Mobi/Sources/ProteinModel.h @@ -36,7 +36,7 @@ namespace Victor { namespace Mobi { */ class ProteinModel : public Protein{ public: - ProteinModel() : Protein(), verbose(false){}; + ProteinModel() : Protein(), verbose(false){modelsID = vector(0);}; ProteinModel(const Protein& _orig) : Protein(_orig), verbose(false){}; ProteinModel* clone(){ @@ -50,8 +50,8 @@ namespace Victor { namespace Mobi { } - void load(PdbLoader& pl, char chain, vector models); - void load(PdbLoader& pl); + vector load(PdbLoader& pl, vector models); + vector load(PdbLoader& pl); Spacer* getModel(unsigned int _model); void SD(vector& sd, ProteinModel& ref, AtomCode atom, double d0 = 4); @@ -60,8 +60,12 @@ namespace Victor { namespace Mobi { void setVerbose(bool v){ verbose = v; } + + const vector& getModelsID(){ return modelsID;} + private: bool verbose; + vector modelsID; }; }} diff --git a/Mobi/Sources/TMScoreBin.cc b/Mobi/Sources/TMScoreBin.cc index abc1c21..10352f8 100644 --- a/Mobi/Sources/TMScoreBin.cc +++ b/Mobi/Sources/TMScoreBin.cc @@ -49,7 +49,7 @@ const string TMTMP_OUT = "tmout.pdb.tmp"; void spacerFromTMOutput(string pdbFile, ProteinModel** imposedModel); -void TMScoreBin::TMImpose(ProteinModel& prot1, unsigned int model1, ProteinModel& prot2, unsigned int model2, ProteinModel** imposedModel){ +double TMScoreBin::TMScore(ProteinModel& prot1, unsigned int model1, ProteinModel& prot2, unsigned int model2, ProteinModel** imposedModel){ if (verbose) cout << "TMScore between models " << model1 << " and " << model2; @@ -65,14 +65,14 @@ void TMScoreBin::TMImpose(ProteinModel& prot1, unsigned int model1, ProteinModel ps.endFile(); fout.close(); //Call TMScore binary - return TMImpose((tmp + TMTMP_IN1), (tmp + TMTMP_IN2), imposedModel); + return TMScore((tmp + TMTMP_IN1), (tmp + TMTMP_IN2), imposedModel); } -void TMScoreBin::TMImpose(ProteinModel& prot, unsigned int model1, unsigned int model2, ProteinModel** imposedModel){ - return TMImpose(prot,model1,prot,model2,imposedModel); +double TMScoreBin::TMScore(ProteinModel& prot, unsigned int model1, unsigned int model2, ProteinModel** imposedModel){ + return TMScore(prot,model1,prot,model2,imposedModel); } -void TMScoreBin::TMImpose(string modelFile, string nativeFile, ProteinModel** imposedModel){ +double TMScoreBin::TMScore(string modelFile, string nativeFile, ProteinModel** imposedModel){ double score = -1; if (access(modelFile.c_str(), R_OK) == 0 && access(nativeFile.c_str(), R_OK) == 0){ if(access(binary.c_str(), X_OK) == 0){ @@ -117,7 +117,8 @@ void TMScoreBin::TMImpose(string modelFile, string nativeFile, ProteinModel** im else ERROR("No access to pdb files " + modelFile + " or " + nativeFile, exception); - return spacerFromTMOutput(tmp + TMTMP_OUT + "_atm", imposedModel); + spacerFromTMOutput(tmp + TMTMP_OUT + "_atm", imposedModel); + return score; } void spacerFromTMOutput(string pdbFile, ProteinModel** imposedModel){ diff --git a/Mobi/Sources/TMScoreBin.h b/Mobi/Sources/TMScoreBin.h index c404c03..8bd784b 100644 --- a/Mobi/Sources/TMScoreBin.h +++ b/Mobi/Sources/TMScoreBin.h @@ -50,8 +50,9 @@ namespace Victor { namespace Mobi { * @param modelFile (string) full path to model#1 file * @param nativeFile (string) full path to model#2 file * @param imposedModel(ProteinModel**) double pointer of type ProteinModel, as output + * @return (double) TMScore */ - virtual void TMImpose(string modelFile, string nativeFile, ProteinModel** imposedModel); + virtual double TMScore(string modelFile, string nativeFile, ProteinModel** imposedModel); /** * @brief Given a ProteinModel call TMScore binary to superimpose two models contained in it. @@ -60,8 +61,9 @@ namespace Victor { namespace Mobi { * @param model (unsigned int) model#1 name in ProteinModel object * @param native (unsigned int) model#2 name in ProteinModel object * @param imposedModel(ProteinModel**) double pointer of type ProteinModel, as output + * @return (double) TMScore */ - virtual void TMImpose(ProteinModel& prot, unsigned int model, unsigned int native, ProteinModel** imposedModel); + virtual double TMScore(ProteinModel& prot, unsigned int model, unsigned int native, ProteinModel** imposedModel); /** @@ -72,8 +74,9 @@ namespace Victor { namespace Mobi { * @param prot2(ProteinModel&) reference to the second ProteinModel * @param model2 (unsigned int) model#2 name in the second ProteinModel object * @param imposedModel(ProteinModel**) double pointer of type ProteinModel, as output + * @return (double) TMScore */ - virtual void TMImpose(ProteinModel& prot1, unsigned int model1, ProteinModel& prot2, unsigned int model2, ProteinModel** imposedModel); + virtual double TMScore(ProteinModel& prot1, unsigned int model1, ProteinModel& prot2, unsigned int model2, ProteinModel** imposedModel); /** diff --git a/Mobi/Sources/VectorCollection.h b/Mobi/Sources/VectorCollection.h index 3864611..bf0b2b4 100644 --- a/Mobi/Sources/VectorCollection.h +++ b/Mobi/Sources/VectorCollection.h @@ -61,6 +61,19 @@ class VectorCollection{ result.size(); } + /** + * Add values (for example scaled distance vector) to this collection + * @param m1 (int) first model id + * @param m2 (int) second model id + * @param result (vector&) vector of values + */ + void addValue(int m1, int m2, std::vector& result){ + if (size() > 0) + if (result.size() != vectorsSize()) + ERROR("Trying to add a result of non compatible size",exception); + results->insert(std::make_pair(VectorCollection::id(m1,m2),result)); + } + /** * Return values given the id * @param id (int) id to search @@ -75,6 +88,40 @@ class VectorCollection{ return vector(); //never reached, just to hide warnings } + /** + * Returns a list of all the model partecipating in this collection + * @return (vector) models + */ + vector getModels(){ + vector models; + for (std::map >::const_iterator it = this->results->begin(); it != this->results->end(); ++it){ + if (std::find(models.begin(), models.end(), VectorCollection::modelsFromID(it->first)[0]) == models.end()) + models.push_back(VectorCollection::modelsFromID(it->first)[0]); + if (std::find(models.begin(), models.end(), VectorCollection::modelsFromID(it->first)[1]) == models.end()) + models.push_back(VectorCollection::modelsFromID(it->first)[1]); + } + return models; + } + + /** + * Returns all records relative to the specified model + * @param model (int) the model to search + * @return (VectorCollection) subcollection relative to the model + */ + VectorCollection getValuesByModel(int model){ + VectorCollection outVC; + std::map >::iterator it = this->results->begin(); + while (it != this->results->end()){ + if (it->first / delimiter == model) + outVC.addValue(it->first, it->second); + else + if (it->first % delimiter == model) + outVC.addValue(it->first, it->second); + it++; + } + return outVC; + } + /** * Returns the length of vectors in this collection * @return (unsigned int) length @@ -132,17 +179,46 @@ class VectorCollection{ return sd; } - vector RMSD(){ - vector rmsd = vector(this->vectorsSize(),0.0); + /** + * Calculate rmsd for all distance records inside this VectorCollection and return their average + * @return (double) mean rmsd + */ + double rmsd(){ + double rmsd = 0; + double singleRmsd; std::map >::const_iterator it; - for (it = this->results->begin(); it != this->results->end(); ++it) //foreach distance record - for (unsigned int a = 0; a < this->vectorsSize(); a++) //foreach residue - rmsd[a] += pow(it->second[a],2); //cumulate the 2pow of distance - for (unsigned int a = 0; a < this->vectorsSize(); a++) //foreach residue - rmsd[a] = sqrt(rmsd[a] / this->size()); //final value - return rmsd; + for (it = this->results->begin(); it != this->results->end(); ++it){ //foreach distance record + singleRmsd = 0; + for (unsigned int i = 0; i < this->vectorsSize(); i++) //foreach residue + singleRmsd += pow(it->second[i],2); //cumulate the 2pow of distance + singleRmsd = sqrt(singleRmsd / this->vectorsSize()); + rmsd += singleRmsd; + } + return (rmsd / results->size()); } + /** + * Short output... debug purpouses + */ + void print(){ + std::map >::iterator it; + for (it = this->results->begin(); it != this->results->end(); ++it) + cout << it->first << " => [" << it->second[0] << "," << it->second[1] << ", ...]" << endl; + } + + static const int delimiter = 1000; + static int id(int m1, int m2){ + return m1*delimiter + m2; + } + static vector modelsFromID(int id){ + vector models(2); + models[0] = id / delimiter; + models[1] = id % delimiter; + return models; + } + + + protected: std::map > *results; diff --git a/Mobi/Tests/TestMobi.cc b/Mobi/Tests/TestMobi.cc index 9464a96..e37aa77 100644 --- a/Mobi/Tests/TestMobi.cc +++ b/Mobi/Tests/TestMobi.cc @@ -21,12 +21,13 @@ int main() { CppUnit::TextUi::TestRunner runner; cout << "Creating Test Suites:" << endl; + // runner.addTest(TestVectorCollection::suite()); // runner.addTest(TestProteinModel::suite()); // runner.addTest(TestTM::suite()); // runner.addTest(TestMobiMethods::suite()); runner.addTest(MadTests::suite()); - cout<< "Running the unit tests. " << endl; + cout<< "Running the unit tests." << endl; runner.run(); return 0; diff --git a/Mobi/Tests/TestProteinModel.h b/Mobi/Tests/TestProteinModel.h index ee28947..e4a50cb 100644 --- a/Mobi/Tests/TestProteinModel.h +++ b/Mobi/Tests/TestProteinModel.h @@ -57,9 +57,7 @@ class TestProteinModel : public CppUnit::TestFixture { models.push_back(1); models.push_back(4); models.push_back(8); - cout << "Loading models 1, 4 and 8" << endl; - prot.load(pl,0,models); - cout << "Getting models back" << endl; + prot.load(pl,models); CPPUNIT_ASSERT(prot.size() == 3); Spacer* m1 = prot.getModel(0); Spacer* m2 = prot.getModel(1); @@ -67,6 +65,5 @@ class TestProteinModel : public CppUnit::TestFixture { CPPUNIT_ASSERT(m1->getAmino(0).getType() == "GLY"); CPPUNIT_ASSERT(m2->getAmino(1).getType() == "SER"); CPPUNIT_ASSERT(m3->getAmino(2).getType() == "GLY"); - cout << "All fine!" << endl; } }; diff --git a/Mobi/Tests/TestTM.h b/Mobi/Tests/TestTM.h index 14e90a0..6f3fe99 100644 --- a/Mobi/Tests/TestTM.h +++ b/Mobi/Tests/TestTM.h @@ -61,19 +61,14 @@ class TestTM : public CppUnit::TestFixture { PdbLoader pl(inFile); pl.setNoVerbose(); ProteinModel prot; - cout << "Loading models 1 and 2" << endl; - prot.load(pl,0,models); + prot.load(pl,models); //calling TMScore bin - cout << "TM Score binary call" << endl; TMScoreBin tmsb(TMDir+"TMScore", TMDir, false); ProteinModel* superImposed; - tmsb.TMImpose(prot,0,1,&superImposed); + tmsb.TMScore(prot,0,1,&superImposed); - //AminoAcid& aa = prot.getModel(0)->getAmino(1); - //Spacer* ss = prot.getModel(0); - //save superimposed model to file std::ofstream fout; PdbSaver ps(fout); @@ -84,7 +79,6 @@ class TestTM : public CppUnit::TestFixture { CPPUNIT_ASSERT(superImposed->getModel(0)->sizeAmino() == 109); CPPUNIT_ASSERT(superImposed->getModel(0)->getAmino(0).getType() == "GLY"); - cout << "TM Test OK!" << endl; } }; diff --git a/Mobi/Tests/TestVectorCollection.h b/Mobi/Tests/TestVectorCollection.h index 1745530..4819454 100644 --- a/Mobi/Tests/TestVectorCollection.h +++ b/Mobi/Tests/TestVectorCollection.h @@ -30,8 +30,8 @@ class TestVectorCollection : public CppUnit::TestFixture { static CppUnit::Test *suite() { CppUnit::TestSuite *suiteOfTests = new CppUnit::TestSuite("TestResults"); -// suiteOfTests->addTest(new CppUnit::TestCaller("Test1 - Populate the map", -// &TestVectorCollection::testPopulation)); + suiteOfTests->addTest(new CppUnit::TestCaller("Test1 - Populate the map", + &TestVectorCollection::testPopulation)); suiteOfTests->addTest(new CppUnit::TestCaller("Test2 - Calculate means", &TestVectorCollection::testMeanSD)); @@ -50,43 +50,37 @@ class TestVectorCollection : public CppUnit::TestFixture { void testPopulation(){ VectorCollection sdr = VectorCollection(); - cout << endl << ">>>\tTestVectorCollection >>> test Population\nPopulating collection..." << endl; + cout << endl << ">>>\tTestVectorCollection >>> test Population..." << endl; fillWith5Results10(sdr); CPPUNIT_ASSERT(sdr.size() == 5); CPPUNIT_ASSERT(sdr.vectorsSize() == 10); - cout << "Correctly populated!" << endl; std::map >::const_iterator it = sdr.iterator(); CPPUNIT_ASSERT(it->second[5] == 5); it++; CPPUNIT_ASSERT(it->second[5] == 6); it++; CPPUNIT_ASSERT(it->second[5] == 7); - cout << "Correctly retrieved!" << endl; + + vector ids = sdr.getModels(); + CPPUNIT_ASSERT(ids.size() == 6); } void testMeanSD(){ - cout << endl << ">>>\tTestVectorCollection >>> test Mean\nPopulating collection..." << endl; + cout << endl << ">>>\tTestVectorCollection >>> test Mean..." << endl; VectorCollection sdr = VectorCollection(); fillWith5Results10(sdr); vector mean = sdr.mean(); - cout << "medie:" << endl; for (unsigned int i = 0; i < 10; i++) - cout << mean[i] << endl; - //CPPUNIT_ASSERT(mean[i] == i+1); - cout << "Mean calculation correct!" << endl; + CPPUNIT_ASSERT(mean[i] == i+2); } void testSD(){ - cout << endl << ">>>\tTestVectorCollection >>> test deviation calculation\nPopulating collection..." << endl; + cout << endl << ">>>\tTestVectorCollection >>> test deviation calculation..." << endl; VectorCollection sdr = VectorCollection(); fillWith5Results10(sdr); vector sd = sdr.stdDev(); - cout << "devs:" << endl; - for (unsigned int i = 0; i < 10; i++){ - cout << sd[i] << endl; - //CPPUNIT_ASSERT(sd[i] > 0.816496 && sd[i] < 0.816498); - } - + for (unsigned int i = 0; i < 10; i++) + CPPUNIT_ASSERT(sd[i] = sqrt(2)); } private: @@ -105,11 +99,11 @@ class TestVectorCollection : public CppUnit::TestFixture { (*v4)[i] = i+3; (*v5)[i] = i+4; } - sdr.addValue(1,*v1); - sdr.addValue(2,*v2); - sdr.addValue(3,*v3); - sdr.addValue(4,*v4); - sdr.addValue(5,*v5); + sdr.addValue(1,2,*v1); + sdr.addValue(2,3,*v2); + sdr.addValue(3,4,*v3); + sdr.addValue(4,4,*v4); + sdr.addValue(5,7,*v5); } }; From 6d3ff31058bd291b4043130da2cdb54f7d1e01b2 Mon Sep 17 00:00:00 2001 From: LucaDemo Date: Sun, 12 Jul 2015 14:29:11 +0200 Subject: [PATCH 17/25] - final 1 --- Biopool/Sources/Spacer.cc | 4 +- Mobi/APPS/Mobi.cc | 60 +- Mobi/Sources/Makefile | 4 +- Mobi/Sources/MobiMethods.cc | 43 +- Mobi/Sources/MobiMethods.h | 158 +- Mobi/Sources/MobiProtein.cc | 76 + .../Sources/{ProteinModel.h => MobiProtein.h} | 38 +- Mobi/Sources/ProteinModel.cc | 113 - Mobi/Sources/TMScoreBin.cc | 30 +- Mobi/Sources/TMScoreBin.h | 71 +- Mobi/Sources/VectorCollection.h | 109 +- Mobi/Tests/Makefile | 2 +- Mobi/Tests/TestMobi.cc | 35 +- .../{TestProteinModel.h => TestMobiProtein.h} | 42 +- Mobi/Tests/TestTM.h | 27 +- Mobi/Tests/TestVectorCollection.h | 35 +- Mobi/Tests/data/1AB2_input_mod.pdb | 3916 +++++++++++++++ Mobi/Tests/data/T0759.pdb | 4400 +++++++++++++++++ Mobi/Tests/data/easyProt1.pdb | 171 + 19 files changed, 9007 insertions(+), 327 deletions(-) create mode 100644 Mobi/Sources/MobiProtein.cc rename Mobi/Sources/{ProteinModel.h => MobiProtein.h} (68%) delete mode 100644 Mobi/Sources/ProteinModel.cc rename Mobi/Tests/{TestProteinModel.h => TestMobiProtein.h} (51%) create mode 100644 Mobi/Tests/data/1AB2_input_mod.pdb create mode 100644 Mobi/Tests/data/T0759.pdb create mode 100644 Mobi/Tests/data/easyProt1.pdb diff --git a/Biopool/Sources/Spacer.cc b/Biopool/Sources/Spacer.cc index 1525725..5a944ba 100644 --- a/Biopool/Sources/Spacer.cc +++ b/Biopool/Sources/Spacer.cc @@ -1665,7 +1665,9 @@ void Spacer::setDSSP(bool verbose) { if (it != ss[i].end()) { // found a n-turn char pos_s = *it; int pos = atoi(&(pos_s)); - // ******************* PATCH FOR OUT OF BOUND SEG FAULT ****************** LUCA DEMO - MOBI + // ******************* PATCH FOR OUT OF BOUND SEG FAULT ****************** + //LUCA DEMO - MOBI + // *********************************************************************** if ((i + pos - 1) >= ss.size()) break; set ::iterator it1 = ss[i + pos - 1].find(turns[l]); diff --git a/Mobi/APPS/Mobi.cc b/Mobi/APPS/Mobi.cc index 82c31b1..b8b51a9 100644 --- a/Mobi/APPS/Mobi.cc +++ b/Mobi/APPS/Mobi.cc @@ -24,7 +24,7 @@ #include #include #include -#include +#include #include #include #include @@ -46,6 +46,11 @@ void sShowHelp() { << "\t-c \t Chain identifier to read (default if first)\n" << "\t-m \t NMR models numbers to read, comma separated list (default is all) \n" << "\t-t \t TMscore binary path (default is ./TMscore)\n" + << "\t--d0 \t d0 scaling factor for scaled distance. Default = 4" + << "\t--sd \t threshold for Avg Scaled Distance track. Default = 0.85" + << "\t--sdd \t threshold for Scaled Distance Deviation track. Default = 0.09" + << "\t--phi \t threshold for phi angles track. Default = 20" + << "\t--psi \t threshold for psi angles track. Default = 20" << "\t-v \t verbose output\n" << "\t-d \t even more verbose output (lot of details)\n" << "\t-h \t shows this message\n"; @@ -62,6 +67,7 @@ int main(int argc, char* argv[]) { } string inputFile, outputFile, outputPdb, tmbin, chainID, modelList; + string d0_s,sd_s,sdd_s,phi_s,psi_s; bool saveFasta = true, savePdb = true, verbose, debug; vector models; @@ -72,6 +78,11 @@ int main(int argc, char* argv[]) { getArg("t", tmbin, argc, argv, "!"); getArg("c", chainID, argc, argv, "!"); getArg("m", modelList, argc, argv, "!"); + getArg("d0", d0_s, argc, argv, "!"); + getArg("-sd", sd_s, argc, argv, "!"); + getArg("-sdd", sdd_s, argc, argv, "!"); + getArg("-psi", psi_s, argc, argv, "!"); + getArg("-phi", phi_s, argc, argv, "!"); verbose = getArg("v", argc, argv); debug = getArg("d", argc, argv); @@ -84,9 +95,13 @@ int main(int argc, char* argv[]) { return -1; } ifstream inFile(inputFile.c_str()); - if (!inFile) + if (!inFile){ ERROR("Input file not found.", exception); - // Check output file + }else{ + if (verbose) + cout << "Using PDB input file: " << inputFile << endl; + } + // Check output file if (outputFile == "!") { saveFasta = false; } @@ -100,12 +115,35 @@ int main(int argc, char* argv[]) { } if(access(tmbin.c_str(), X_OK) != 0){ ERROR("TM binary (" + tmbin + ") does not exist or not executable.", exception); + }else{ + if (verbose) + cout << "Using TMscore binary: " << tmbin << endl; } + //Check mobi parameters + double d0 = DEF_D0; + if (d0_s != "!") + d0 = stodDEF(d0_s); + double sd_th = DEF_SD_TH; + if (sd_s != "!") + sd_th = stodDEF(sd_s); + double sdsd_th = DEF_SDSD_TH; + if (sdd_s != "!") + sdsd_th = stodDEF(sdd_s); + double phi_th = DEF_PHI_TH; + if (phi_s != "!") + phi_th = stodDEF(phi_s); + double psi_th = DEF_PSI_TH; + if (psi_s != "!") + psi_th = stodDEF(psi_s); + + cout << "pre loader" << endl; + //MOBI PdbLoader pl(inFile); + cout << "ok" << endl; // Set PdbLoader variables if (!debug) { pl.setNoVerbose(); @@ -123,9 +161,13 @@ int main(int argc, char* argv[]) { cout << "Selected chain: " << chainID[0] << endl; }// First chain else { - pl.setChain(pl.getAllChains()[0]); - if (verbose) - cout << "Selected chain: " << pl.getAllChains()[0] << endl; + if (pl.getAllChains().size() > 0){ + pl.setChain(pl.getAllChains()[0]); + if (verbose) + cout << "Selected chain: " << pl.getAllChains()[0] << endl; + }else + if (verbose) + cout << "No chains found." << endl; } // User selected models @@ -146,7 +188,7 @@ int main(int argc, char* argv[]) { } // Load the protein object - ProteinModel* prot = new ProteinModel(); + MobiProtein* prot = new MobiProtein(); if (debug) prot->setVerbose(true); else @@ -158,8 +200,8 @@ int main(int argc, char* argv[]) { // TMscore: here we use the external binary TMScoreBinder* tm = new TMScoreBin(tmbin,"."); - // Default constructor for default thresholds - MobiMethods mm; + // Set MobiMethods Thresholds + MobiMethods mm(d0, CA, sd_th, sdsd_th, psi_th, phi_th); if (verbose) mm.verbosity(1); //Outputs tracks on cout if (debug) diff --git a/Mobi/Sources/Makefile b/Mobi/Sources/Makefile index 840a936..7f7343c 100644 --- a/Mobi/Sources/Makefile +++ b/Mobi/Sources/Makefile @@ -27,10 +27,10 @@ INC_PATH = -I. -I../../tools -I../../Biopool/Sources # -SOURCES = ProteinModel.cc TMScoreBin.cc MobiMethods.cc +SOURCES = MobiProtein.cc TMScoreBin.cc MobiMethods.cc -OBJECTS = ProteinModel.o TMScoreBin.o MobiMethods.o +OBJECTS = MobiProtein.o TMScoreBin.o MobiMethods.o TARGETS = diff --git a/Mobi/Sources/MobiMethods.cc b/Mobi/Sources/MobiMethods.cc index 7c6f807..b060075 100644 --- a/Mobi/Sources/MobiMethods.cc +++ b/Mobi/Sources/MobiMethods.cc @@ -1,10 +1,22 @@ -/* - * MobiMethods.cc - * - * Created on: 09/giu/2015 - * Author: luca - */ +/* This file is part of Victor. + + Victor is free software: you can redistribute it and/or modify + it under the terms of the GNU General Public License as published by + the Free Software Foundation, either version 3 of the License, or + (at your option) any later version. + Victor is distributed in the hope that it will be useful, + but WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the + GNU General Public License for more details. + + You should have received a copy of the GNU General Public License + along with Victor. If not, see . +*/ +/*! + * \author Luca Demo + * \date 2015 + */ #include #include #include @@ -35,19 +47,19 @@ void printVector(vector const &v, string pre = ""){ cout << endl; } -void MobiMethods::distances(ProteinModel* protein, TMScoreBinder* tm, VectorCollection& scaledDist, VectorCollection& dist, MobiMethods &mm){ +void MobiMethods::distances(MobiProtein* protein, TMScoreBinder* tm, VectorCollection& scaledDist, VectorCollection& dist, MobiMethods &mm){ scaledDist.clear(); dist.clear(); - ProteinModel* imposed; + MobiProtein* imposed; vector tmpDist; //Perform superimposition for every model pair for (unsigned int i = 0; i < protein->size(); i++) for (unsigned int j = i+1; j < protein->size(); j++){ tm->TMScore(*protein,i,j,&imposed); tmpDist = scaledDistance(imposed->getModel(0),protein->getModel(j), mm.getAtom(), mm.getD0()); - scaledDist.addValue((i*1000 + j), tmpDist); + scaledDist.addValue(i,j, tmpDist); tmpDist = distance(imposed->getModel(0),protein->getModel(j), mm.getAtom()); - dist.addValue((i*1000 + j), tmpDist); + dist.addValue(i,j, tmpDist); delete imposed; } } @@ -79,13 +91,14 @@ vector MobiMethods::scaledDistance(Spacer* mod1, Spacer* mod2, AtomCode Atom& refAtom = mod2->getAmino(i).getAtom(atom); double dist = sqrt((mAtom.getCoords() - refAtom.getCoords()).square()); + dist = mAtom.distance(refAtom); sd[i] = 1/(1 + pow(dist / d0, 2.0)); } return sd; } -void MobiMethods::phis(ProteinModel* protein, VectorCollection& phis){ +void MobiMethods::phis(MobiProtein* protein, VectorCollection& phis){ phis.clear(); vector modelPhis(protein->getModel(0)->sizeAmino()); for (unsigned int i = 0; i < protein->size(); i++){ @@ -97,7 +110,7 @@ void MobiMethods::phis(ProteinModel* protein, VectorCollection& phis){ } } -void MobiMethods::psis(ProteinModel* protein, VectorCollection& psis){ +void MobiMethods::psis(MobiProtein* protein, VectorCollection& psis){ psis.clear(); vector modelPsis(protein->getModel(0)->sizeAmino()); for (unsigned int i = 0; i < protein->size(); i++){ @@ -109,7 +122,7 @@ void MobiMethods::psis(ProteinModel* protein, VectorCollection& psis){ } } -vector MobiMethods::secondaryMobi(ProteinModel* protein){ +vector MobiMethods::secondaryMobi(MobiProtein* protein){ //Check for errors in protein unsigned int const protLen = protein->size(); if (protLen < 1) @@ -156,7 +169,7 @@ vector MobiMethods::secondaryMobi(ProteinModel* protein){ -vector MobiMethods::mobiMobility(ProteinModel* protein, TMScoreBinder* tm){ +vector MobiMethods::mobiMobility(MobiProtein* protein, TMScoreBinder* tm){ //Scaled Distances distances(protein,tm,scaledDist,dist,*this); @@ -175,7 +188,7 @@ vector MobiMethods::mobiMobility(ProteinModel* protein, TMScoreBinder* tm){ for (unsigned int i = 0; i < SDDevs.size(); i++) SDDevsMobility[i] = SDDevs[i] > sdsd_th ? 1 : 0; - VectorCollection angles; + VectorCollection angles; //Psi angles psis(protein,angles); //values are cleared inside getPhis psisAngles = angles.stdDev(); diff --git a/Mobi/Sources/MobiMethods.h b/Mobi/Sources/MobiMethods.h index c13f8b4..ee148d2 100644 --- a/Mobi/Sources/MobiMethods.h +++ b/Mobi/Sources/MobiMethods.h @@ -1,10 +1,22 @@ -/* - * MobiMethods.h - * - * Created on: 18/giu/2015 - * Author: luca +/* This file is part of Victor. + + Victor is free software: you can redistribute it and/or modify + it under the terms of the GNU General Public License as published by + the Free Software Foundation, either version 3 of the License, or + (at your option) any later version. + + Victor is distributed in the hope that it will be useful, + but WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the + GNU General Public License for more details. + + You should have received a copy of the GNU General Public License + along with Victor. If not, see . +*/ +/*! + * \author Luca Demo + * \date 2015 */ - #ifndef MOBI_SOURCES_MOBIMETHODS_H_ #define MOBI_SOURCES_MOBIMETHODS_H_ @@ -29,9 +41,9 @@ extern const double DEF_SDSD_TH; extern const int DEF_VERBOSE; /** - * This class provides static methods to calculate mobility with Mobi methods.\n - * Can be instantiated to provide settings to the static methods. Default constructor provides - * default mobi parameters. + * This class provides methods to calculate mobility.\n + * Can be instantiated to provide settings to the static methods and execute Mobi calculation.\n + * Default constructor provides default mobi parameters. */ class MobiMethods{ public: @@ -69,44 +81,27 @@ class MobiMethods{ * Calculates the Scaled and "simple" distances given the ProteinModel object containing all the models. * For all possible pair of models, Superimposition is performed and distances are calculated. * @param protein pointer to protein object containing all the models - * @param tm pointer to TMScore binary binder + * @param tm pointer to TMScore binder * @param scaledDist destination of scaled distances * @param dist destination of distances * @param mm reference to MobiMethod object for mobi parameters */ - static void distances(ProteinModel* protein, TMScoreBinder* tm, VectorCollection& scaledDist, VectorCollection& dist, MobiMethods &mm); - - - /** - * Calculate the scaled distance given two models - * @param mod1 the first model (Spacer pointer) - * @param mod2 the second model (Spacer pointer) - * @param atom atom to base distance calculation on, default atom if not specified (CA) - * @param d0 d0 normalization value, default value if not specified (4) - */ - static vector scaledDistance(Spacer* mod1, Spacer* mod2, AtomCode atom = DEF_ATOM, double d0 = DEF_D0); + static void distances(MobiProtein* protein, TMScoreBinder* tm, VectorCollection& scaledDist, VectorCollection& dist, MobiMethods &mm); - /** - * Calculate the "simple" distance given two models. - * @param mod1 the first model (Spacer pointer) - * @param mod2 the second model (Spacer pointer) - * @param atom (AtomCode) atom to base distance calcutation on, default atom if not specified (CA) - */ - static vector distance(Spacer* mod1, Spacer* mod2, AtomCode atom = DEF_ATOM); /** * Given a protein containing models, populate a VectorCollection of phi angles * @param protein pointer to the protein to elaborate * @param phis output VectorCollection */ - static void phis(ProteinModel* protein, VectorCollection& phis); + static void phis(MobiProtein* protein, VectorCollection& phis); /** * Given a protein containing models, populate a VectorCollection of psi angles * @param protein pointer to the protein to elaborate * @param psis output VectorCollection */ - static void psis(ProteinModel* protein, VectorCollection& psis); + static void psis(MobiProtein* protein, VectorCollection& psis); /** * Given a protein containing models, build DSSP mobility estimation.\n The returning @@ -117,17 +112,15 @@ class MobiMethods{ * @param protein reference to the protein * @return a vector containing the secondary mobility estimation (0,1,2 values) */ - static vector secondaryMobi(ProteinModel* protein); + static vector secondaryMobi(MobiProtein* protein); /** * Performs mobility calculation * @param protein pointer to the protein to process * @param tm pointer to TM imposer - * @param settings reference to MobiMethods object for Mobi parameters - * @param output reference to output destination (fasta), default is cout * @return a vector of mobility values (0,1) */ - vector mobiMobility(ProteinModel* protein, TMScoreBinder* tm); + vector mobiMobility(MobiProtein* protein, TMScoreBinder* tm); /** * Applies Mobi filters to Scaled Distance mobility track to obtain final mobility values @@ -144,12 +137,7 @@ class MobiMethods{ /** * Applies Mobi filters to Scaled Distance mobility track to obtain final mobility values - * @param sdm vector of scaled distance mobility track - * @param sdsd vector scaled distance std dev mobility track - * @param sec vector secondary structure mobility track - * @param phis vector phi angles mobility track - * @param psis vector psi angles mobility track - * @param settings reference to MobiMethods object for mobi parameters + * @param settings MobiMethods object with setted parameters * @return vector of filtered mobility ("all" mobility) */ static vector SDFilters(MobiMethods &settings){ @@ -157,49 +145,123 @@ class MobiMethods{ settings.getPsiMobility(), settings); } - - - //static ProteinModel* averageModel(ProteinModel* protein, TMScoreBinder* tm); + /** + * Get D0 value + */ double getD0(){ return this->d0;} + /** + * Get Atom used for distance calculation + */ AtomCode getAtom(){return this->atom;} + /** + * Get Average scale distance threshold + */ double getSDTh(){return this->sd_th;} + /** + * get Scaled distance deviance threshold + */ double getSDSDTh(){return this->sdsd_th;} + /** + * Get Phi angles deviation threshold + */ double getPhiTh(){return this->phi_th;} + /** + * Get Psi angles deviation threshold + */ double getPsiTh(){return this->psi_th;} - + /** + * get average scaled distance + */ const vector getSDMeans(){return SDMeans;} + /** + * get average scaled distance mobility track + */ const vector getSDMeanMobility(){return SDMeanMobility;} + /** + * get scaled distance deviation vector + */ const vector getSDDevs(){return SDDevs;} + /** + * get scaled distance deviation mobility track + */ const vector getSDDevsMobility(){return SDDevsMobility;} + /** + * get psi angles deviations + */ const vector getPsisAngles(){return psisAngles;} + /** + * get psi angles mobility track + */ const vector getPsiMobility(){return PsiMobility;} + /** + * get phi angles deviations + */ const vector getPhisAngles(){return phisAngles;} + /** + * get phi mobility track + */ const vector getPhiMobility(){return PhiMobility;} + /** + * get secondary structure mobility + */ const vector getSecMobility(){return secMobility;} + /** + * get mobi mobility "all" track + */ const vector getMobiMobility(){return mobiMob;} + /** + * get sequence + */ const vector getSequence(){return sequence;} - VectorCollection& getDistances(){return dist;} + /** + * get distance collection + */ + VectorCollection& getDistances(){return dist;} + + /** + * get scaled distance collection + */ + VectorCollection& getScaledDistances(){return scaledDist;} + - VectorCollection& getScaledDistances(){return scaledDist;} +protected: + /** + * Calculate the "simple" distance given two models. + * @param mod1 the first model (Spacer pointer) + * @param mod2 the second model (Spacer pointer) + * @param atom (AtomCode) atom to base distance calcutation on, default atom if not specified (CA) + */ + static vector distance(Spacer* mod1, Spacer* mod2, AtomCode atom = DEF_ATOM); + + + /** + * Calculate the scaled distance given two models + * @param mod1 the first model (Spacer pointer) + * @param mod2 the second model (Spacer pointer) + * @param atom atom to base distance calculation on, default atom if not specified (CA) + * @param d0 d0 normalization value, default value if not specified (4) + */ + static vector scaledDistance(Spacer* mod1, Spacer* mod2, AtomCode atom = DEF_ATOM, double d0 = DEF_D0); + private: double d0; double sdsd_th; @@ -221,8 +283,8 @@ class MobiMethods{ vector secMobility; vector mobiMob; - VectorCollection scaledDist; //Scaled distances - VectorCollection dist; //"Simple" distances + VectorCollection scaledDist; //Scaled distances + VectorCollection dist; //"Simple" distances }; }} //Namespaces diff --git a/Mobi/Sources/MobiProtein.cc b/Mobi/Sources/MobiProtein.cc new file mode 100644 index 0000000..84cd76c --- /dev/null +++ b/Mobi/Sources/MobiProtein.cc @@ -0,0 +1,76 @@ +/* This file is part of Victor. + + Victor is free software: you can redistribute it and/or modify + it under the terms of the GNU General Public License as published by + the Free Software Foundation, either version 3 of the License, or + (at your option) any later version. + + Victor is distributed in the hope that it will be useful, + but WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the + GNU General Public License for more details. + + You should have received a copy of the GNU General Public License + along with Victor. If not, see . +*/ +/*! + * \author Luca Demo + * \date 2015 + */ +#include +#include + +using namespace Victor; +using namespace Victor::Mobi; +using namespace Victor::Biopool; + +/** + * Load Pdb data into Protein object. The specified models are loaded. + * There is no direct correlation between models id in pdb file and model + * index inside protein object. Index inside protein depends on the order + * in which the models are loaded. * + * @param pl (PdbLoader&) reference to the PdbLoader to load from + * @param models (vector) models to load (accordind to pdb file model names), + */ +vector MobiProtein::load(PdbLoader& pl, vector models){ + if (verbose) + cout << "Loading protein models..." <>>model#" << models[i] << endl; + pl.setModel(models[i]); + pl.checkModel(); + + this->Protein::load(pl); + this->modelsID.push_back(models[i]); + } + return models; +} + +/** + * Load Pdb data into Protein object. All models are loaded. + * There is no direct correlation between models id in pdb file and model + * index inside protein object. Index inside protein depends on the order + * in which the models are loaded. * + * @param pl (PdbLoader&) reference to the PdbLoader to load from + */ +vector MobiProtein::load(PdbLoader& pl){ + vector models; + //Load Models + for(unsigned int i = 1; i <= pl.getMaxModels(); i++) + models.push_back(i); + return load(pl,models); +} + +/** + * Get the Spacer object representing the model of this Protein + * @param model (unsigned int) the model to get + * @return (Spacer&) the model + */ +Spacer* MobiProtein::getModel(unsigned int model){ + return this->getSpacer(model); +} diff --git a/Mobi/Sources/ProteinModel.h b/Mobi/Sources/MobiProtein.h similarity index 68% rename from Mobi/Sources/ProteinModel.h rename to Mobi/Sources/MobiProtein.h index 07ff710..fd297c5 100644 --- a/Mobi/Sources/ProteinModel.h +++ b/Mobi/Sources/MobiProtein.h @@ -1,4 +1,4 @@ -/* This file is part of Victor +/* This file is part of Victor. Victor is free software: you can redistribute it and/or modify it under the terms of the GNU General Public License as published by @@ -12,13 +12,10 @@ You should have received a copy of the GNU General Public License along with Victor. If not, see . - */ - -/** - * @file PreteinModel.h - * @author Luca Demo - * @date May 2015 - * @version 0.1 +*/ +/*! + * \author Luca Demo + * \date 2015 */ #ifndef MOBI_SOURCES_PROTEINMODEL_ #define MOBI_SOURCES_PROTEINMODEL_ @@ -34,33 +31,26 @@ namespace Victor { namespace Mobi { * @brief Extends Protein class with functionalities related to manipulation of NMR model and models comparations. * Scale Distance metric is provided. */ - class ProteinModel : public Protein{ + class MobiProtein : public Protein{ public: - ProteinModel() : Protein(), verbose(false){modelsID = vector(0);}; - ProteinModel(const Protein& _orig) : Protein(_orig), verbose(false){}; - - ProteinModel* clone(){ - ProteinModel* tmp = new ProteinModel(); - tmp->copy(*this); - return tmp; - } - - void copy(const ProteinModel& orig) { - Protein::copy(orig); - } - + MobiProtein() : Protein(), verbose(false){modelsID = vector(0);}; vector load(PdbLoader& pl, vector models); vector load(PdbLoader& pl); Spacer* getModel(unsigned int _model); - void SD(vector& sd, ProteinModel& ref, AtomCode atom, double d0 = 4); - void SD(vector& sd, Spacer* ref, AtomCode atom, double d0 = 4); + /** + * Set verbosity to this class methods + * @param v verbosity true/false + */ void setVerbose(bool v){ verbose = v; } + /** + * Returns all original (as PDB) loaded modell ids + */ const vector& getModelsID(){ return modelsID;} private: diff --git a/Mobi/Sources/ProteinModel.cc b/Mobi/Sources/ProteinModel.cc deleted file mode 100644 index d79287d..0000000 --- a/Mobi/Sources/ProteinModel.cc +++ /dev/null @@ -1,113 +0,0 @@ -/* This file is part of Victor - - Victor is free software: you can redistribute it and/or modify - it under the terms of the GNU General Public License as published by - the Free Software Foundation, either version 3 of the License, or - (at your option) any later version. - - Victor is distributed in the hope that it will be useful, - but WITHOUT ANY WARRANTY; without even the implied warranty of - MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the - GNU General Public License for more details. - - You should have received a copy of the GNU General Public License - along with Victor. If not, see . - */ - -/** - * @file ProteinModel.cc - * @author Luca Demo - * @date Jun 2015 - * @version 0.1 - */ -#include -#include - -using namespace Victor; -using namespace Victor::Mobi; -using namespace Victor::Biopool; - -/** - * Load Pdb data into Protein object. The specified models are loaded. - * There is no direct correlation between models id in pdb file and model - * index inside protein object. Index inside protein depends on the order - * in which the models are loaded. * - * @param pl (PdbLoader&) reference to the PdbLoader to load from - * @param chain (char) name of the chain to load, 0 = first chain (default) - * @param model (vector) models to load (accordind to pdb file model names), - */ -vector ProteinModel::load(PdbLoader& pl, vector models){ - if (verbose) - cout << "Loading protein models..." <>>model#" << models[i] << endl; - pl.setModel(models[i]); - pl.checkModel(); - - this->Protein::load(pl); - this->modelsID.push_back(models[i]); - } - return models; -} - -vector ProteinModel::load(PdbLoader& pl){ - vector models; - //Load Models - for(unsigned int i = 1; i <= pl.getMaxModels(); i++) - models.push_back(i); - return load(pl,models); -} - -/** - * Get the Spacer object representing the model of this Protein - * @param model (unsigned int) the model to get - * @return (Spacer&) the model - */ -Spacer* ProteinModel::getModel(unsigned int model){ - return this->getSpacer(model); -} - -/** - * Get Scale Distance between this model and the one in the specified ProteinModel - * @param ref (ProteinModel&) the model to compare - * @param atoms (vector&) names of the atoms to consider - * @param d0 (double) normalization parameter, 4 is default - */ -void ProteinModel::SD(vector& sd, ProteinModel& ref, AtomCode atom, double d0){ - ProteinModel::SD(sd, ref.getModel(0), atom, d0); -} - -/** - * Get Scale Distance between this model and the one specified - * @param ref (Spacer&) the model to compare - * @param atoms (vector&) names of the atoms to consider - * @param d0 (double) normalization parameter, 4 is default - */ -void ProteinModel::SD(vector& sd, Spacer* ref, AtomCode atom, double d0){ - Spacer& model = *(this->getModel(0)); - sd.clear(); - if (ref->size() != model.size()) - ERROR("Reference protein spacer has a different number of Amino",exception); - - for (unsigned int i = 0; i < ref->size(); i++){ //foreach Amino - if (ref->getAmino(i).getType() != model.getAmino(i).getType()) - ERROR("Reference protein Aminos are not compatible",exception); - Atom mAtom = model.getAmino(i).getAtom((unsigned int)atom); - Atom refAtom = ref->getAmino(i).getAtom((unsigned int)atom); - - double dist; - dist = sqrt(pow(mAtom.getCoords().x - refAtom.getCoords().x,2.0) - + pow(mAtom.getCoords().y - refAtom.getCoords().y,2.0) - + pow(mAtom.getCoords().z - refAtom.getCoords().z,2.0) - ); - sd.insert(sd.end(), dist); - - } -} - - diff --git a/Mobi/Sources/TMScoreBin.cc b/Mobi/Sources/TMScoreBin.cc index 10352f8..206b73a 100644 --- a/Mobi/Sources/TMScoreBin.cc +++ b/Mobi/Sources/TMScoreBin.cc @@ -36,9 +36,7 @@ using namespace Victor::Mobi; using namespace Victor::Biopool; using namespace std; -const string TMTMP_IN1 = "tmin1.pdb.tmp"; -const string TMTMP_IN2 = "tmin2.pdb.tmp"; -const string TMTMP_OUT = "tmout.pdb.tmp"; + /** * @brief the TMScore output is not pdb conformant. This static method read the output and fix it in a memory buffer. @@ -46,10 +44,13 @@ const string TMTMP_OUT = "tmout.pdb.tmp"; * @param pdbFile (string) full path to TMScore output * @param imposedModel (ProteinModel**) double pointer of type PRoteinModel, as output */ -void spacerFromTMOutput(string pdbFile, ProteinModel** imposedModel); +void spacerFromTMOutput(string pdbFile, MobiProtein** imposedModel); + +double TMScoreBin::TMScore(MobiProtein& prot1, unsigned int model1, MobiProtein& prot2, unsigned int model2, MobiProtein** imposedModel){ + string TMTMP_IN1 = "tmin1.pdb.tmp"; //Decided to not use global const + string TMTMP_IN2 = "tmin2.pdb.tmp"; //Decided to not use global const -double TMScoreBin::TMScore(ProteinModel& prot1, unsigned int model1, ProteinModel& prot2, unsigned int model2, ProteinModel** imposedModel){ if (verbose) cout << "TMScore between models " << model1 << " and " << model2; @@ -68,18 +69,21 @@ double TMScoreBin::TMScore(ProteinModel& prot1, unsigned int model1, ProteinMode return TMScore((tmp + TMTMP_IN1), (tmp + TMTMP_IN2), imposedModel); } -double TMScoreBin::TMScore(ProteinModel& prot, unsigned int model1, unsigned int model2, ProteinModel** imposedModel){ +double TMScoreBin::TMScore(MobiProtein& prot, unsigned int model1, unsigned int model2, MobiProtein** imposedModel){ return TMScore(prot,model1,prot,model2,imposedModel); } -double TMScoreBin::TMScore(string modelFile, string nativeFile, ProteinModel** imposedModel){ +double TMScoreBin::TMScore(string model1, string model2, MobiProtein** imposedModel){ + string TMTMP_OUT = "tmout.pdb.tmp"; //Decided to not use global const double score = -1; - if (access(modelFile.c_str(), R_OK) == 0 && access(nativeFile.c_str(), R_OK) == 0){ + if (access(model1.c_str(), R_OK) == 0 && access(model2.c_str(), R_OK) == 0){ if(access(binary.c_str(), X_OK) == 0){ pid_t pid; //Pipeing TMS output int pipefd[2]; - pipe(pipefd); + if (pipe(pipefd)) + ERROR("Piping failed for TMscore binary call",exception); + //Forking child for TMS pid = fork(); if (pid < 0){ @@ -90,7 +94,7 @@ double TMScoreBin::TMScore(string modelFile, string nativeFile, ProteinModel** i dup2(pipefd[1],1); //stdout dup2(pipefd[1],2); //stderr close(pipefd[1]); - if (execl(binary.c_str(),binary.c_str(), modelFile.c_str(),nativeFile.c_str(), "-o" , (tmp + TMTMP_OUT).c_str(),NULL)) + if (execl(binary.c_str(),binary.c_str(), model1.c_str(),model2.c_str(), "-o" , (tmp + TMTMP_OUT).c_str(),NULL)) ERROR("Unable to exec",error); } else{ //Read output from child pipe @@ -115,13 +119,13 @@ double TMScoreBin::TMScore(string modelFile, string nativeFile, ProteinModel** i ERROR("No access to " + binary + " binary!",exception); } else - ERROR("No access to pdb files " + modelFile + " or " + nativeFile, exception); + ERROR("No access to pdb files " + model1 + " or " + model2, exception); spacerFromTMOutput(tmp + TMTMP_OUT + "_atm", imposedModel); return score; } -void spacerFromTMOutput(string pdbFile, ProteinModel** imposedModel){ +void spacerFromTMOutput(string pdbFile, MobiProtein** imposedModel){ if (access(pdbFile.c_str(), R_OK) != 0) ERROR("Cannot read pdb file to fix",exception); @@ -148,7 +152,7 @@ void spacerFromTMOutput(string pdbFile, ProteinModel** imposedModel){ PdbLoader pl(buffer); pl.setNoVerbose(); //Load and return protein object - *imposedModel = new ProteinModel(); + *imposedModel = new MobiProtein(); pl.setModel(1); cout.flush(); pl.loadProtein(**imposedModel); diff --git a/Mobi/Sources/TMScoreBin.h b/Mobi/Sources/TMScoreBin.h index 8bd784b..bb628e4 100644 --- a/Mobi/Sources/TMScoreBin.h +++ b/Mobi/Sources/TMScoreBin.h @@ -1,17 +1,29 @@ -/* - * TMScoreBin.h - * - * Created on: 01/giu/2015 - * Author: luca +/* This file is part of Victor. + + Victor is free software: you can redistribute it and/or modify + it under the terms of the GNU General Public License as published by + the Free Software Foundation, either version 3 of the License, or + (at your option) any later version. + + Victor is distributed in the hope that it will be useful, + but WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the + GNU General Public License for more details. + + You should have received a copy of the GNU General Public License + along with Victor. If not, see . +*/ +/*! + * \author Luca Demo + * \date 2015 */ - #ifndef MOBI_SOURCES_TMSCOREBIN_H_ #define MOBI_SOURCES_TMSCOREBIN_H_ #include #include -#include +#include #include using namespace Victor::Biopool; @@ -19,9 +31,10 @@ using namespace Victor::Mobi; using namespace std; -extern const std::string TMTMP_IN1; -extern const std::string TMTMP_IN2; -extern const std::string TMTMP_OUT; +//extern const std::string TMTMP_IN1; +//extern const std::string TMTMP_IN2; +//extern const std::string TMTMP_OUT; + namespace Victor { namespace Mobi { @@ -37,7 +50,7 @@ namespace Victor { namespace Mobi { * @param _tmp (string) full path to temp dir, must have write permission * @param _verbose (bool) verbosity */ - TMScoreBin(std::string _binary = "TMScore", std::string _tmp = ".", bool _verbose = false) : + TMScoreBin(std::string _binary = "TMscore", std::string _tmp = ".", bool _verbose = false) : binary(_binary), tmp(_tmp.substr(_tmp.length()-1,1) == "/" ? _tmp : _tmp + "/"), verbose(_verbose) @@ -46,43 +59,43 @@ namespace Victor { namespace Mobi { /** * @brief Given two pdb files containing each a model of the same protein, * call TMScore binary to superimpose the first over the second. The superimposed (rotated/traslated) - * model is then loaded in a ProteinModel using the double pointer provided. - * @param modelFile (string) full path to model#1 file - * @param nativeFile (string) full path to model#2 file - * @param imposedModel(ProteinModel**) double pointer of type ProteinModel, as output - * @return (double) TMScore + * model is then loaded in a MobiProtein using the double pointer provided. + * @param model1 full path to model#1 file + * @param model2 full path to model#2 file + * @param imposedModel output + * @return TMScore */ - virtual double TMScore(string modelFile, string nativeFile, ProteinModel** imposedModel); + virtual double TMScore(string model1, string model2, MobiProtein** imposedModel); /** * @brief Given a ProteinModel call TMScore binary to superimpose two models contained in it. * The superimposed (rotated/traslated) model is then loaded in a ProteinModel using the double pointer provided. - * @param prot(ProteinModel&) reference to ProteinModel object - * @param model (unsigned int) model#1 name in ProteinModel object - * @param native (unsigned int) model#2 name in ProteinModel object - * @param imposedModel(ProteinModel**) double pointer of type ProteinModel, as output + * @param prot reference to MobiProtein object + * @param model1 model#1 name in MobiProtein object + * @param model2 model#2 name in MobiProtein object + * @param imposedModel output * @return (double) TMScore */ - virtual double TMScore(ProteinModel& prot, unsigned int model, unsigned int native, ProteinModel** imposedModel); + virtual double TMScore(MobiProtein& prot, unsigned int model1, unsigned int model2, MobiProtein** imposedModel); /** * @brief Superimposition of two models through call to TMScore binary * The superimposed (rotated/traslated) model is then loaded in a ProteinModel using the double pointer provided. - * @param prot1(ProteinModel&) reference to the fist ProteinModel - * @param model1 (unsigned int) model#1 name in the first ProteinModel object - * @param prot2(ProteinModel&) reference to the second ProteinModel - * @param model2 (unsigned int) model#2 name in the second ProteinModel object - * @param imposedModel(ProteinModel**) double pointer of type ProteinModel, as output + * @param prot1 reference to the fist ProteinModel + * @param model1 model#1 name in the first ProteinModel object + * @param prot2 reference to the second ProteinModel + * @param model2 model#2 name in the second ProteinModel object + * @param imposedModel output * @return (double) TMScore */ - virtual double TMScore(ProteinModel& prot1, unsigned int model1, ProteinModel& prot2, unsigned int model2, ProteinModel** imposedModel); + virtual double TMScore(MobiProtein& prot1, unsigned int model1, MobiProtein& prot2, unsigned int model2, MobiProtein** imposedModel); /** * Set verbosity. * Verbosity is applied on PdbLoader instances. - * @param v (bool) new verbosity option + * @param v new verbosity option */ void setVerbose(bool v){ verbose = v; diff --git a/Mobi/Sources/VectorCollection.h b/Mobi/Sources/VectorCollection.h index bf0b2b4..979fe4f 100644 --- a/Mobi/Sources/VectorCollection.h +++ b/Mobi/Sources/VectorCollection.h @@ -1,3 +1,22 @@ +/* This file is part of Victor. + + Victor is free software: you can redistribute it and/or modify + it under the terms of the GNU General Public License as published by + the Free Software Foundation, either version 3 of the License, or + (at your option) any later version. + + Victor is distributed in the hope that it will be useful, + but WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the + GNU General Public License for more details. + + You should have received a copy of the GNU General Public License + along with Victor. If not, see . +*/ +/*! + * \author Luca Demo + * \date 2015 + */ #ifndef MOBI_SOURCES_VECTORCOLLECTION_H_ #define MOBI_SOURCES_VECTORCOLLECTION_H_ @@ -17,12 +36,19 @@ namespace Victor { namespace Mobi { /** * @brief Class used to manage collections of Mobility results. - * We use this class to process vectors of doubles resulting from mobility operations, - * like scaled distance values. This class provides also methods to calculate means and std deviations + * We use this class to process vectors of values (usually doubles) resulting from mobility operations, + * like scaled distance values or angles. This class provides also methods to calculate means and std deviations * for corresponding (same position) values in different vectors.\n + * Internally, an id is assigned to each vector. You can specify your own id or use the provided id translator + * so that, given two (ordered) id values (for example 2 models ids), a unique internal id is assigned to the id pair, + * then you can: + * \t- get a list of all the models who partecipate in this collection + * \t- get vectors related to a model given the model id + * \t- get the vector related to a model pair * \b Attention : all vectors must have the same dimension, the first value added to the collection - * determines the length of all vectors. + * determines the length of all vectors. You can clear the collection to reset this value. */ +template class VectorCollection{ public: @@ -30,7 +56,8 @@ class VectorCollection{ * Default constructor */ VectorCollection(){ - this->results = new std::map >(); + this->results = new std::map >(); + this->safePairID = true; } /** @@ -46,6 +73,7 @@ class VectorCollection{ */ void clear(){ results->clear(); + safePairID = true; } /** @@ -53,12 +81,12 @@ class VectorCollection{ * @param id (int) values id * @param result (vector&) vector of values */ - void addValue(int id, std::vector& result){ + void addValue(int id, std::vector& result){ if (size() > 0) if (result.size() != vectorsSize()) ERROR("Trying to add a result of non compatible size",exception); results->insert(std::make_pair(id,result)); - result.size(); + safePairID = false; } /** @@ -67,7 +95,7 @@ class VectorCollection{ * @param m2 (int) second model id * @param result (vector&) vector of values */ - void addValue(int m1, int m2, std::vector& result){ + void addValue(int m1, int m2, std::vector& result){ if (size() > 0) if (result.size() != vectorsSize()) ERROR("Trying to add a result of non compatible size",exception); @@ -79,13 +107,13 @@ class VectorCollection{ * @param id (int) id to search * @return (vector&) values, if found */ - vector getValue(int id){ - std::map >::const_iterator it = this->results->find(id); + vector getValue(int id){ + typename std::map >::const_iterator it = this->results->find(id); if (it != this->results->end()) return it->second; else ERROR("Unable to find values with given id",exception); - return vector(); //never reached, just to hide warnings + return vector(); //never reached, just to hide warnings } /** @@ -93,12 +121,14 @@ class VectorCollection{ * @return (vector) models */ vector getModels(){ + if (!safePairID) + cout << "[VectorCollection] getModels() Warning: vectors has been added with CUSTOM ids!"; vector models; - for (std::map >::const_iterator it = this->results->begin(); it != this->results->end(); ++it){ + for (typename std::map >::const_iterator it = this->results->begin(); it != this->results->end(); ++it){ if (std::find(models.begin(), models.end(), VectorCollection::modelsFromID(it->first)[0]) == models.end()) models.push_back(VectorCollection::modelsFromID(it->first)[0]); if (std::find(models.begin(), models.end(), VectorCollection::modelsFromID(it->first)[1]) == models.end()) - models.push_back(VectorCollection::modelsFromID(it->first)[1]); + models.push_back(VectorCollection::modelsFromID(it->first)[1]); } return models; } @@ -109,8 +139,10 @@ class VectorCollection{ * @return (VectorCollection) subcollection relative to the model */ VectorCollection getValuesByModel(int model){ + if (!safePairID) + cout << "[VectorCollection] getValuesByModel() Warning: vectors has been added with CUSTOM ids!"; VectorCollection outVC; - std::map >::iterator it = this->results->begin(); + typename std::map >::iterator it = this->results->begin(); while (it != this->results->end()){ if (it->first / delimiter == model) outVC.addValue(it->first, it->second); @@ -142,9 +174,9 @@ class VectorCollection{ /** * Read-Only Iterator to this collection - * @return (map::>::iterator) iterator + * @return (map:: >) iterator */ - std::map >::const_iterator iterator(){ + typename std::map >::const_iterator iterator(){ return this->results->begin(); } @@ -153,8 +185,8 @@ class VectorCollection{ * @return (vector) means */ vector mean(){ - vector mean = vector(this->vectorsSize(),0.0); - std::map >::const_iterator it; + vector mean = vector(this->vectorsSize(),0.0); + typename std::map >::const_iterator it; for (it = this->results->begin(); it != this->results->end(); ++it) for (unsigned int a = 0; a < this->vectorsSize(); a++) mean[a] += it->second[a]; @@ -167,10 +199,10 @@ class VectorCollection{ * Calculates the standard deviation of values in same position in the vectors * @return (vector) standard deviations */ - vector stdDev(){ - vector mean = this->mean(); - vector sd = vector(this->vectorsSize(),0.0); - std::map >::const_iterator it; + vector stdDev(){ + vector mean = this->mean(); + vector sd = vector(this->vectorsSize(),0.0); + typename std::map >::const_iterator it; for (it = this->results->begin(); it != this->results->end(); ++it) //foreach distance record for (unsigned int a = 0; a < this->vectorsSize(); a++) //foreach residue sd[a] += pow(it->second[a] - mean[a],2); //cumulate the 2pow of distance minus mean @@ -184,9 +216,9 @@ class VectorCollection{ * @return (double) mean rmsd */ double rmsd(){ - double rmsd = 0; - double singleRmsd; - std::map >::const_iterator it; + V rmsd = 0; + V singleRmsd; + typename std::map >::const_iterator it; for (it = this->results->begin(); it != this->results->end(); ++it){ //foreach distance record singleRmsd = 0; for (unsigned int i = 0; i < this->vectorsSize(); i++) //foreach residue @@ -201,15 +233,31 @@ class VectorCollection{ * Short output... debug purpouses */ void print(){ - std::map >::iterator it; + typename std::map >::iterator it; for (it = this->results->begin(); it != this->results->end(); ++it) cout << it->first << " => [" << it->second[0] << "," << it->second[1] << ", ...]" << endl; } - static const int delimiter = 1000; + /** + * multiplying value to separate two models, it also represent the max number of model acceptable + */ + static const int delimiter = 10000; + + /** + * build model pair id from models ids + * @param m1 first model id + * @param m2 second model id + * @return pair id + */ static int id(int m1, int m2){ return m1*delimiter + m2; } + + /** + * return two models id given the pair id + * @param id pair id + * @return 2 sized vector with the 2 model ids + */ static vector modelsFromID(int id){ vector models(2); models[0] = id / delimiter; @@ -218,13 +266,18 @@ class VectorCollection{ } - +private: + bool safePairID; protected: - std::map > *results; + /** + * Map container for the collection + */ + std::map > *results; }; + }} //namespaces #endif /* MOBI_SOURCES_VECTORCOLLECTION_H_ */ diff --git a/Mobi/Tests/Makefile b/Mobi/Tests/Makefile index 3010487..b1afdde 100644 --- a/Mobi/Tests/Makefile +++ b/Mobi/Tests/Makefile @@ -26,7 +26,7 @@ INC_PATH = -I. -I../../tools/ -I../../Biopool/Sources -I../../Mobi/Sources # Objects and headers # -SOURCES = TestMobi.cc TestVectorCollection.h TestProteinModel.h TestTM.h TestMobiMethods.h +SOURCES = TestMobi.cc TestVectorCollection.h TestMobiProtein.h TestTM.h TestMobiMethods.h OBJECTS = $(SOURCES:.cpp=.o) diff --git a/Mobi/Tests/TestMobi.cc b/Mobi/Tests/TestMobi.cc index e37aa77..1ae44dd 100644 --- a/Mobi/Tests/TestMobi.cc +++ b/Mobi/Tests/TestMobi.cc @@ -1,19 +1,32 @@ -/* - * TestMobi.cc - * - * Created on: 17/giu/2015 - * Author: luca +/* This file is part of Victor. + + Victor is free software: you can redistribute it and/or modify + it under the terms of the GNU General Public License as published by + the Free Software Foundation, either version 3 of the License, or + (at your option) any later version. + + Victor is distributed in the hope that it will be useful, + but WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the + GNU General Public License for more details. + + You should have received a copy of the GNU General Public License + along with Victor. If not, see . +*/ +/*! + * \author Luca Demo + * \date 2015 */ #include #include #include -#include #include #include #include #include +#include "TestMobiProtein.h" using namespace std; @@ -22,11 +35,11 @@ int main() { cout << "Creating Test Suites:" << endl; -// runner.addTest(TestVectorCollection::suite()); -// runner.addTest(TestProteinModel::suite()); -// runner.addTest(TestTM::suite()); -// runner.addTest(TestMobiMethods::suite()); - runner.addTest(MadTests::suite()); + runner.addTest(TestVectorCollection::suite()); + runner.addTest(TestMobiProtein::suite()); + runner.addTest(TestTM::suite()); + runner.addTest(TestMobiMethods::suite()); +// runner.addTest(MadTests::suite()); cout<< "Running the unit tests." << endl; runner.run(); diff --git a/Mobi/Tests/TestProteinModel.h b/Mobi/Tests/TestMobiProtein.h similarity index 51% rename from Mobi/Tests/TestProteinModel.h rename to Mobi/Tests/TestMobiProtein.h index e4a50cb..7322100 100644 --- a/Mobi/Tests/TestProteinModel.h +++ b/Mobi/Tests/TestMobiProtein.h @@ -1,10 +1,22 @@ -/* - * TestProteinModel.h - * - * Created on: 19/giu/2015 - * Author: luca - */ +/* This file is part of Victor. + + Victor is free software: you can redistribute it and/or modify + it under the terms of the GNU General Public License as published by + the Free Software Foundation, either version 3 of the License, or + (at your option) any later version. + Victor is distributed in the hope that it will be useful, + but WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the + GNU General Public License for more details. + + You should have received a copy of the GNU General Public License + along with Victor. If not, see . +*/ +/*! + * \author Luca Demo + * \date 2015 + */ #include #include #include @@ -14,24 +26,24 @@ #include #include -#include +#include using namespace std; using namespace Victor::Mobi; -class TestProteinModel : public CppUnit::TestFixture { +class TestMobiProtein : public CppUnit::TestFixture { public: - TestProteinModel(){} + TestMobiProtein(){} - virtual ~TestProteinModel(){} + virtual ~TestMobiProtein(){} static CppUnit::Test *suite() { - CppUnit::TestSuite *suiteOfTests = new CppUnit::TestSuite("TestProteinModel"); + CppUnit::TestSuite *suiteOfTests = new CppUnit::TestSuite("TestMobiProtein"); - suiteOfTests->addTest(new CppUnit::TestCaller("Test2 - Load and Get models", - &TestProteinModel::testLoadAndGet)); + suiteOfTests->addTest(new CppUnit::TestCaller("Test1 - Load and Get models", + &TestMobiProtein::testLoadAndGet)); return suiteOfTests; } @@ -43,7 +55,7 @@ class TestProteinModel : public CppUnit::TestFixture { protected: void testLoadAndGet(){ - cout << endl << ">>>\tTestProteinModel >>> test Load and Get models" << endl; + cout << endl << ">>>\tTestMobiProtein >>> test Load and Get models" << endl; string path = getenv("VICTOR_ROOT"); string inputFile = path + "Mobi/Tests/data/1AB2_input.pdb"; ifstream inFile(inputFile.c_str()); @@ -52,7 +64,7 @@ class TestProteinModel : public CppUnit::TestFixture { PdbLoader pl(inFile); //pl.setNoVerbose(); - ProteinModel prot = ProteinModel(); + MobiProtein prot = MobiProtein(); vector models = vector(); models.push_back(1); models.push_back(4); diff --git a/Mobi/Tests/TestTM.h b/Mobi/Tests/TestTM.h index 6f3fe99..bb04aac 100644 --- a/Mobi/Tests/TestTM.h +++ b/Mobi/Tests/TestTM.h @@ -1,8 +1,21 @@ -/* - * TestTM.h - * - * Created on: 19/giu/2015 - * Author: luca +/* This file is part of Victor. + + Victor is free software: you can redistribute it and/or modify + it under the terms of the GNU General Public License as published by + the Free Software Foundation, either version 3 of the License, or + (at your option) any later version. + + Victor is distributed in the hope that it will be useful, + but WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the + GNU General Public License for more details. + + You should have received a copy of the GNU General Public License + along with Victor. If not, see . +*/ +/*! + * \author Luca Demo + * \date 2015 */ #include @@ -60,12 +73,12 @@ class TestTM : public CppUnit::TestFixture { //loading models PdbLoader pl(inFile); pl.setNoVerbose(); - ProteinModel prot; + MobiProtein prot; prot.load(pl,models); //calling TMScore bin TMScoreBin tmsb(TMDir+"TMScore", TMDir, false); - ProteinModel* superImposed; + MobiProtein* superImposed; tmsb.TMScore(prot,0,1,&superImposed); diff --git a/Mobi/Tests/TestVectorCollection.h b/Mobi/Tests/TestVectorCollection.h index 4819454..7042247 100644 --- a/Mobi/Tests/TestVectorCollection.h +++ b/Mobi/Tests/TestVectorCollection.h @@ -1,8 +1,21 @@ -/* - * TestSDResults.h - * - * Created on: 17/giu/2015 - * Author: luca +/* This file is part of Victor. + + Victor is free software: you can redistribute it and/or modify + it under the terms of the GNU General Public License as published by + the Free Software Foundation, either version 3 of the License, or + (at your option) any later version. + + Victor is distributed in the hope that it will be useful, + but WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the + GNU General Public License for more details. + + You should have received a copy of the GNU General Public License + along with Victor. If not, see . +*/ +/*! + * \author Luca Demo + * \date 2015 */ #include @@ -28,9 +41,9 @@ class TestVectorCollection : public CppUnit::TestFixture { virtual ~TestVectorCollection(){} static CppUnit::Test *suite() { - CppUnit::TestSuite *suiteOfTests = new CppUnit::TestSuite("TestResults"); + CppUnit::TestSuite *suiteOfTests = new CppUnit::TestSuite("TestVectorCollection"); - suiteOfTests->addTest(new CppUnit::TestCaller("Test1 - Populate the map", + suiteOfTests->addTest(new CppUnit::TestCaller("Test1 - Populate the collection", &TestVectorCollection::testPopulation)); suiteOfTests->addTest(new CppUnit::TestCaller("Test2 - Calculate means", @@ -49,7 +62,7 @@ class TestVectorCollection : public CppUnit::TestFixture { protected: void testPopulation(){ - VectorCollection sdr = VectorCollection(); + VectorCollection sdr = VectorCollection(); cout << endl << ">>>\tTestVectorCollection >>> test Population..." << endl; fillWith5Results10(sdr); CPPUNIT_ASSERT(sdr.size() == 5); @@ -67,7 +80,7 @@ class TestVectorCollection : public CppUnit::TestFixture { void testMeanSD(){ cout << endl << ">>>\tTestVectorCollection >>> test Mean..." << endl; - VectorCollection sdr = VectorCollection(); + VectorCollection sdr = VectorCollection(); fillWith5Results10(sdr); vector mean = sdr.mean(); for (unsigned int i = 0; i < 10; i++) @@ -76,7 +89,7 @@ class TestVectorCollection : public CppUnit::TestFixture { void testSD(){ cout << endl << ">>>\tTestVectorCollection >>> test deviation calculation..." << endl; - VectorCollection sdr = VectorCollection(); + VectorCollection sdr = VectorCollection(); fillWith5Results10(sdr); vector sd = sdr.stdDev(); for (unsigned int i = 0; i < 10; i++) @@ -85,7 +98,7 @@ class TestVectorCollection : public CppUnit::TestFixture { private: - void fillWith5Results10(VectorCollection& sdr){ + void fillWith5Results10(VectorCollection& sdr){ unsigned int modelLen = 10; vector *v1 = new vector(modelLen); vector *v2 = new vector(modelLen); diff --git a/Mobi/Tests/data/1AB2_input_mod.pdb b/Mobi/Tests/data/1AB2_input_mod.pdb new file mode 100644 index 0000000..110791b --- /dev/null +++ b/Mobi/Tests/data/1AB2_input_mod.pdb @@ -0,0 +1,3916 @@ +************************* +************************* +HEADER TRANSFERASE(PHOSPHOTRANSFERASE) 19-JUL-93 1AB2 +TITLE THREE-DIMENSIONAL SOLUTION STRUCTURE OF THE SRC HOMOLOGY 2 +TITLE 2 DOMAIN OF C-ABL +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: C-ABL TYROSINE KINASE SH2 DOMAIN; +COMPND 3 CHAIN: A; +COMPND 4 EC: 2.7.1.112; +COMPND 5 ENGINEERED: YES +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; +SOURCE 3 ORGANISM_COMMON: HUMAN; +SOURCE 4 ORGANISM_TAXID: 9606 +KEYWDS TRANSFERASE(PHOSPHOTRANSFERASE) +EXPDTA SOLUTION NMR +NUMMDL 2 +AUTHOR M.OVERDUIN,C.B.RIOS,B.J.MAYER,D.BALTIMORE,D.COWBURN +REVDAT 2 24-FEB-09 1AB2 1 VERSN +REVDAT 1 31-JAN-94 1AB2 0 +JRNL AUTH M.OVERDUIN,C.B.RIOS,B.J.MAYER,D.BALTIMORE,D.COWBURN +JRNL TITL THREE-DIMENSIONAL SOLUTION STRUCTURE OF THE SRC +JRNL TITL 2 HOMOLOGY 2 DOMAIN OF C-ABL. +JRNL REF CELL(CAMBRIDGE,MASS.) V. 70 697 1992 +JRNL REFN ISSN 0092-8674 +JRNL PMID 1505033 +JRNL DOI 10.1016/0092-8674(92)90437-H +REMARK 1 +REMARK 1 REFERENCE 1 +REMARK 1 AUTH M.OVERDUIN,B.MAYER,C.B.RIOS,D.BALTIMORE,D.COWBURN +REMARK 1 TITL SECONDARY STRUCTURE OF SRC HOMOLOGY 2 DOMAIN OF +REMARK 1 TITL 2 C-ABL BY HETERONUCLEAR NMR SPECTROSCOPY IN SOLUTION +REMARK 1 REF PROC.NATL.ACAD.SCI.USA V. 89 11673 1992 +REMARK 1 REFN ISSN 0027-8424 +REMARK 2 +REMARK 2 RESOLUTION. NOT APPLICABLE. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : NULL +REMARK 3 AUTHORS : NULL +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: NULL +REMARK 4 +REMARK 4 1AB2 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. +REMARK 210 +REMARK 210 EXPERIMENTAL DETAILS +REMARK 210 EXPERIMENT TYPE : NMR +REMARK 210 TEMPERATURE (KELVIN) : NULL +REMARK 210 PH : NULL +REMARK 210 IONIC STRENGTH : NULL +REMARK 210 PRESSURE : NULL +REMARK 210 SAMPLE CONTENTS : NULL +REMARK 210 +REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL +REMARK 210 SPECTROMETER FIELD STRENGTH : NULL +REMARK 210 SPECTROMETER MODEL : NULL +REMARK 210 SPECTROMETER MANUFACTURER : NULL +REMARK 210 +REMARK 210 STRUCTURE DETERMINATION. +REMARK 210 SOFTWARE USED : NULL +REMARK 210 METHOD USED : NULL +REMARK 210 +REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL +REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20 +REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL +REMARK 210 +REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL +REMARK 210 +REMARK 210 REMARK: NULL +REMARK 215 +REMARK 215 NMR STUDY +REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION +REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT +REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON +REMARK 215 THESE RECORDS ARE MEANINGLESS. +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: TORSION ANGLES +REMARK 500 +REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) +REMARK 500 +REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- +REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 +REMARK 500 +REMARK 500 M RES CSSEQI PSI PHI +REMARK 500 1 SER A 5 171.80 54.96 +REMARK 500 1 LYS A 8 -104.31 -57.63 +REMARK 500 1 LEU A 24 -70.95 -55.84 +REMARK 500 1 LEU A 25 106.24 -56.76 +REMARK 500 1 SER A 27 122.94 61.76 +REMARK 500 1 GLU A 37 -165.93 -123.90 +REMARK 500 1 TYR A 51 -156.26 -93.42 +REMARK 500 1 GLU A 52 22.15 -73.65 +REMARK 500 1 ARG A 59 164.18 -42.00 +REMARK 500 1 ASN A 61 124.10 71.60 +REMARK 500 1 SER A 64 34.27 -91.28 +REMARK 500 1 ASP A 65 -54.92 -149.85 +REMARK 500 1 LYS A 67 152.54 -43.54 +REMARK 500 1 SER A 71 -68.50 -94.44 +REMARK 500 1 SER A 72 -26.87 154.52 +REMARK 500 1 ASN A 77 -42.76 -134.97 +REMARK 500 1 ILE A 94 -84.73 -44.44 +REMARK 500 1 LEU A 97 119.92 -36.99 +REMARK 500 1 HIS A 98 -79.49 -102.02 +REMARK 500 1 HIS A 107 129.96 169.04 +REMARK 500 1 ARG A 108 71.87 177.84 +REMARK 500 2 SER A 2 -66.63 66.16 +REMARK 500 2 ASN A 4 -54.37 -152.13 +REMARK 500 2 SER A 5 44.21 -103.46 +REMARK 500 2 LEU A 6 144.44 63.00 +REMARK 500 2 LYS A 8 -98.81 -48.03 +REMARK 500 2 SER A 10 30.33 -82.95 +REMARK 500 2 LEU A 25 86.06 -52.71 +REMARK 500 2 SER A 26 -107.53 28.39 +REMARK 500 2 SER A 27 35.02 175.85 +REMARK 500 2 SER A 40 -36.37 -35.78 +REMARK 500 2 TYR A 51 -144.69 -109.26 +REMARK 500 2 GLU A 52 -80.37 -60.03 +REMARK 500 2 ILE A 60 -121.95 -70.14 +REMARK 500 2 ASN A 61 119.90 167.91 +REMARK 500 2 SER A 64 32.63 36.90 +REMARK 500 2 ASP A 65 -56.23 -138.53 +REMARK 500 2 SER A 71 -84.82 -116.05 +REMARK 500 2 SER A 72 -50.61 176.48 +REMARK 500 2 HIS A 86 9.42 -68.01 +REMARK 500 2 ALA A 90 72.01 -67.69 +REMARK 500 2 ILE A 94 -87.24 -54.74 +REMARK 500 2 THR A 95 -148.67 -78.65 +REMARK 500 2 LEU A 97 132.54 -23.32 +REMARK 500 2 HIS A 98 26.57 -140.24 +REMARK 500 2 TYR A 99 46.59 -153.98 +REMARK 500 2 ILE A 106 -63.10 -94.13 +REMARK 500 2 HIS A 107 59.07 -175.48 +REMARK 500 3 ASN A 4 -93.69 39.90 +REMARK 500 3 LYS A 8 -94.24 -48.17 +REMARK 500 3 LEU A 25 74.17 -66.78 +REMARK 500 3 SER A 27 -89.87 63.95 +REMARK 500 3 TYR A 51 -128.45 -120.00 +REMARK 500 3 ASN A 61 147.07 59.37 +REMARK 500 3 ALA A 63 45.59 -86.78 +REMARK 500 3 SER A 64 33.26 36.76 +REMARK 500 3 ASP A 65 -53.72 -147.31 +REMARK 500 3 SER A 71 -71.53 -107.68 +REMARK 500 3 SER A 72 -52.50 160.63 +REMARK 500 3 ASP A 91 44.31 -78.24 +REMARK 500 3 ILE A 94 -82.44 -45.36 +REMARK 500 3 HIS A 98 -78.44 -136.89 +REMARK 500 3 PRO A 102 -163.46 -74.90 +REMARK 500 3 HIS A 107 25.03 47.20 +REMARK 500 3 ARG A 108 -93.90 39.93 +REMARK 500 4 LYS A 8 -114.41 -58.51 +REMARK 500 4 HIS A 9 -179.21 -68.42 +REMARK 500 4 HIS A 13 -61.17 -122.85 +REMARK 500 4 SER A 26 -90.98 -30.39 +REMARK 500 4 SER A 27 -58.82 -173.48 +REMARK 500 4 SER A 38 -175.07 -56.74 +REMARK 500 4 GLU A 39 -127.80 -81.80 +REMARK 500 4 SER A 40 81.87 -69.26 +REMARK 500 4 TYR A 51 -158.73 -113.24 +REMARK 500 4 GLU A 52 50.80 -68.53 +REMARK 500 4 ALA A 63 -125.44 -68.29 +REMARK 500 4 SER A 64 -70.01 -56.15 +REMARK 500 4 ASP A 65 56.01 -160.97 +REMARK 500 4 LYS A 67 153.74 -41.99 +REMARK 500 4 SER A 71 -104.48 -105.08 +REMARK 500 4 SER A 72 -56.25 -144.77 +REMARK 500 4 GLU A 81 -31.45 -38.92 +REMARK 500 4 VAL A 89 79.18 -119.82 +REMARK 500 4 ILE A 94 -84.56 -52.09 +REMARK 500 4 LEU A 97 142.94 -31.82 +REMARK 500 4 HIS A 98 -52.66 -127.25 +REMARK 500 4 ALA A 101 98.37 -38.06 +REMARK 500 4 ILE A 106 -66.73 -135.42 +REMARK 500 4 HIS A 107 -37.58 161.49 +REMARK 500 4 ARG A 108 115.33 -38.75 +REMARK 500 5 SER A 2 140.34 63.29 +REMARK 500 5 ASN A 4 -68.03 67.41 +REMARK 500 5 SER A 5 167.63 -46.89 +REMARK 500 5 LEU A 6 111.53 87.73 +REMARK 500 5 LYS A 8 -118.00 -61.30 +REMARK 500 5 ALA A 21 -70.64 -48.34 +REMARK 500 5 TYR A 23 -70.89 -61.03 +REMARK 500 5 SER A 26 31.80 -167.56 +REMARK 500 5 SER A 27 95.37 -174.92 +REMARK 500 5 SER A 40 -24.95 165.71 +REMARK 500 5 TYR A 51 -167.63 -111.00 +REMARK 500 5 GLU A 52 66.80 -67.50 +REMARK 500 5 ILE A 60 -111.00 -78.46 +REMARK 500 5 ASN A 61 149.91 154.31 +REMARK 500 5 ILE A 94 -90.12 -44.01 +REMARK 500 5 THR A 95 -147.36 -82.25 +REMARK 500 5 LEU A 97 146.60 -34.25 +REMARK 500 5 HIS A 98 -83.43 -101.71 +REMARK 500 5 PRO A 100 47.87 -75.01 +REMARK 500 5 ALA A 101 163.35 -44.60 +REMARK 500 5 ARG A 104 -60.98 -107.01 +REMARK 500 5 HIS A 107 -61.12 -147.10 +REMARK 500 6 SER A 2 78.45 53.22 +REMARK 500 6 LEU A 6 43.51 -89.46 +REMARK 500 6 LYS A 8 -118.82 -56.71 +REMARK 500 6 ALA A 21 -70.23 -58.78 +REMARK 500 6 TYR A 23 -72.41 -69.69 +REMARK 500 6 LEU A 25 87.32 -55.99 +REMARK 500 6 SER A 27 97.50 -46.21 +REMARK 500 6 ASN A 30 43.20 -80.57 +REMARK 500 6 SER A 40 81.58 16.56 +REMARK 500 6 GLU A 52 -72.64 -151.30 +REMARK 500 6 LYS A 67 156.21 -49.77 +REMARK 500 6 SER A 71 -87.77 -111.71 +REMARK 500 6 SER A 72 -43.79 179.94 +REMARK 500 6 ALA A 90 65.49 -68.97 +REMARK 500 6 ASP A 91 33.27 -79.30 +REMARK 500 6 ILE A 94 -81.41 -43.56 +REMARK 500 6 THR A 96 -127.55 -97.33 +REMARK 500 6 HIS A 98 58.76 -145.90 +REMARK 500 6 TYR A 99 43.68 -151.97 +REMARK 500 6 PRO A 100 32.75 -74.97 +REMARK 500 6 ARG A 108 -56.53 -141.70 +REMARK 500 7 SER A 2 -59.05 72.73 +REMARK 500 7 SER A 5 -67.02 176.41 +REMARK 500 7 LEU A 6 168.10 62.25 +REMARK 500 7 LYS A 8 -116.63 -60.17 +REMARK 500 7 HIS A 9 -177.88 -69.23 +REMARK 500 7 LEU A 25 -77.63 -52.27 +REMARK 500 7 SER A 26 145.48 59.66 +REMARK 500 7 SER A 27 80.72 35.45 +REMARK 500 7 ASN A 30 29.26 -77.95 +REMARK 500 7 SER A 38 157.25 -43.60 +REMARK 500 7 SER A 40 14.75 -141.92 +REMARK 500 7 TYR A 51 -76.68 -112.76 +REMARK 500 7 SER A 64 -40.04 175.76 +REMARK 500 7 ALA A 80 -76.64 -52.54 +REMARK 500 7 ILE A 94 -87.18 -44.34 +REMARK 500 7 THR A 95 -168.57 -77.58 +REMARK 500 7 LEU A 97 130.25 -24.25 +REMARK 500 7 HIS A 98 -85.67 -109.68 +REMARK 500 7 ARG A 108 -56.62 -144.03 +REMARK 500 8 ASN A 4 141.88 177.72 +REMARK 500 8 LEU A 6 103.87 -174.09 +REMARK 500 8 LYS A 8 -106.56 -58.10 +REMARK 500 8 SER A 10 32.01 -82.82 +REMARK 500 8 TRP A 11 18.44 -151.39 +REMARK 500 8 HIS A 13 -71.32 -137.82 +REMARK 500 8 SER A 26 -93.75 -42.58 +REMARK 500 8 SER A 27 -54.63 176.25 +REMARK 500 8 GLU A 39 48.47 -86.37 +REMARK 500 8 SER A 40 -37.32 -172.84 +REMARK 500 8 PRO A 42 45.92 -74.92 +REMARK 500 8 TYR A 51 -101.37 -120.28 +REMARK 500 8 GLU A 52 -101.91 -69.55 +REMARK 500 8 SER A 64 -46.32 179.25 +REMARK 500 8 SER A 71 -65.24 -102.13 +REMARK 500 8 SER A 72 -45.37 162.54 +REMARK 500 8 ILE A 94 -83.32 -44.75 +REMARK 500 8 THR A 95 -161.80 -76.21 +REMARK 500 8 LEU A 97 129.38 -38.37 +REMARK 500 8 HIS A 98 44.68 -141.00 +REMARK 500 8 TYR A 99 60.85 -152.17 +REMARK 500 8 ILE A 106 42.40 -109.95 +REMARK 500 8 HIS A 107 66.69 37.14 +REMARK 500 9 ASN A 4 116.79 62.87 +REMARK 500 9 SER A 5 -73.30 73.64 +REMARK 500 9 LEU A 6 135.35 70.95 +REMARK 500 9 LYS A 8 -99.45 -49.63 +REMARK 500 9 SER A 27 50.20 167.21 +REMARK 500 9 ASN A 30 31.08 -79.80 +REMARK 500 9 GLU A 39 92.98 -44.36 +REMARK 500 9 SER A 40 67.10 21.63 +REMARK 500 9 TYR A 51 -154.47 -124.13 +REMARK 500 9 SER A 71 -66.46 -101.62 +REMARK 500 9 SER A 72 -61.74 166.47 +REMARK 500 9 SER A 74 66.99 -118.26 +REMARK 500 9 ILE A 94 -74.15 -55.05 +REMARK 500 9 TYR A 99 52.16 -159.04 +REMARK 500 9 HIS A 107 124.70 -37.66 +REMARK 500 10 SER A 2 78.82 -176.17 +REMARK 500 10 ASN A 4 172.09 174.92 +REMARK 500 10 LEU A 6 161.11 68.35 +REMARK 500 10 LYS A 8 -114.41 -58.97 +REMARK 500 10 SER A 26 -127.51 37.70 +REMARK 500 10 SER A 27 145.47 -32.87 +REMARK 500 10 SER A 38 -151.27 -76.23 +REMARK 500 10 GLU A 39 -80.76 -83.12 +REMARK 500 10 SER A 40 79.97 -156.20 +REMARK 500 10 TYR A 51 -150.04 -144.94 +REMARK 500 10 GLU A 52 79.78 -69.20 +REMARK 500 10 ILE A 60 -153.36 -70.05 +REMARK 500 10 SER A 64 -52.28 179.36 +REMARK 500 10 SER A 71 -83.06 -114.51 +REMARK 500 10 SER A 72 -41.08 173.18 +REMARK 500 10 ASP A 91 37.45 -79.31 +REMARK 500 10 ILE A 94 -77.94 -56.38 +REMARK 500 10 THR A 95 -154.50 -79.20 +REMARK 500 10 HIS A 98 -73.18 -137.48 +REMARK 500 10 HIS A 107 68.91 -106.80 +REMARK 500 11 SER A 2 162.54 60.29 +REMARK 500 11 ASN A 4 -167.84 43.65 +REMARK 500 11 SER A 5 -58.49 68.41 +REMARK 500 11 LYS A 8 -130.42 -63.76 +REMARK 500 11 HIS A 9 -177.85 -67.92 +REMARK 500 11 HIS A 13 -64.62 -102.66 +REMARK 500 11 LEU A 25 -152.80 -58.03 +REMARK 500 11 SER A 26 175.72 91.20 +REMARK 500 11 SER A 27 -72.51 65.94 +REMARK 500 11 ILE A 29 -160.13 -110.24 +REMARK 500 11 SER A 38 49.62 -77.41 +REMARK 500 11 GLU A 39 161.75 57.13 +REMARK 500 11 SER A 40 95.44 -34.93 +REMARK 500 11 TYR A 51 -155.90 -103.10 +REMARK 500 11 GLU A 52 59.81 -67.85 +REMARK 500 11 ALA A 63 -92.25 -68.37 +REMARK 500 11 SER A 64 29.51 -164.71 +REMARK 500 11 ASP A 65 -48.08 -151.57 +REMARK 500 11 ALA A 80 -71.70 -59.00 +REMARK 500 11 ILE A 94 -86.49 -44.86 +REMARK 500 11 THR A 95 -153.06 -82.43 +REMARK 500 11 LEU A 97 177.08 -49.37 +REMARK 500 11 HIS A 98 -73.12 -141.54 +REMARK 500 11 TYR A 99 69.27 -113.82 +REMARK 500 11 HIS A 107 82.69 -69.23 +REMARK 500 12 SER A 2 -60.10 -109.95 +REMARK 500 12 ASN A 4 -45.93 175.87 +REMARK 500 12 LYS A 8 -113.88 -59.31 +REMARK 500 12 TRP A 11 12.46 -144.94 +REMARK 500 12 ALA A 21 -70.15 -60.37 +REMARK 500 12 TYR A 23 -70.47 -76.02 +REMARK 500 12 SER A 26 -92.00 -48.51 +REMARK 500 12 SER A 27 -80.21 -174.30 +REMARK 500 12 GLU A 37 -167.72 -129.13 +REMARK 500 12 GLU A 39 79.75 -116.36 +REMARK 500 12 SER A 40 -25.60 102.82 +REMARK 500 12 TYR A 51 -159.00 -112.77 +REMARK 500 12 GLU A 52 49.72 -70.27 +REMARK 500 12 SER A 64 -38.48 85.62 +REMARK 500 12 ALA A 90 71.87 -67.94 +REMARK 500 12 ILE A 94 -82.94 -51.72 +REMARK 500 12 LEU A 97 133.01 -32.80 +REMARK 500 12 TYR A 99 48.68 -146.54 +REMARK 500 12 PRO A 100 39.42 -74.95 +REMARK 500 12 ARG A 108 -57.41 74.56 +REMARK 500 13 SER A 2 83.74 40.70 +REMARK 500 13 ASN A 4 -55.12 -150.42 +REMARK 500 13 LEU A 6 46.77 -151.50 +REMARK 500 13 LYS A 8 -97.74 -43.32 +REMARK 500 13 SER A 10 34.26 -82.24 +REMARK 500 13 TRP A 11 8.57 -150.63 +REMARK 500 13 LEU A 25 59.37 -69.34 +REMARK 500 13 SER A 27 -62.12 -107.00 +REMARK 500 13 SER A 40 40.58 174.10 +REMARK 500 13 TYR A 51 -124.01 -136.83 +REMARK 500 13 GLU A 52 98.84 -64.60 +REMARK 500 13 ALA A 63 46.34 -86.56 +REMARK 500 13 SER A 64 34.28 35.44 +REMARK 500 13 ASP A 65 -52.86 -149.21 +REMARK 500 13 SER A 72 -50.79 92.88 +REMARK 500 13 ALA A 90 63.09 -67.08 +REMARK 500 13 ASP A 91 43.79 -77.26 +REMARK 500 13 LEU A 97 176.38 51.02 +REMARK 500 13 HIS A 98 -84.27 -138.73 +REMARK 500 13 LYS A 103 -175.92 -69.73 +REMARK 500 13 HIS A 107 115.43 169.81 +REMARK 500 14 ASN A 4 94.26 53.76 +REMARK 500 14 LEU A 6 71.00 -166.55 +REMARK 500 14 LYS A 8 -97.24 -54.79 +REMARK 500 14 ALA A 21 -72.92 -42.24 +REMARK 500 14 TYR A 23 -72.20 -75.22 +REMARK 500 14 LEU A 25 81.45 -54.55 +REMARK 500 14 SER A 27 -87.06 64.11 +REMARK 500 14 GLU A 39 89.36 -166.29 +REMARK 500 14 PRO A 42 37.20 -74.91 +REMARK 500 14 GLU A 52 38.82 -76.58 +REMARK 500 14 ASP A 65 -54.27 -150.39 +REMARK 500 14 ILE A 94 -82.85 -47.18 +REMARK 500 14 THR A 95 -167.28 -79.32 +REMARK 500 14 LEU A 97 120.09 -38.59 +REMARK 500 14 TYR A 99 47.65 -152.65 +REMARK 500 14 PRO A 100 36.45 -74.98 +REMARK 500 14 ARG A 108 84.19 62.91 +REMARK 500 15 SER A 2 -52.01 81.97 +REMARK 500 15 ASN A 4 167.84 60.50 +REMARK 500 15 LEU A 6 49.36 39.51 +REMARK 500 15 LYS A 8 -124.27 -61.34 +REMARK 500 15 HIS A 13 -77.16 -125.33 +REMARK 500 15 LEU A 25 90.78 -51.90 +REMARK 500 15 SER A 26 -54.19 -140.88 +REMARK 500 15 ILE A 29 -166.61 -126.63 +REMARK 500 15 SER A 38 176.97 -48.47 +REMARK 500 15 GLU A 39 -60.63 -122.54 +REMARK 500 15 SER A 40 39.78 -75.38 +REMARK 500 15 TYR A 51 -76.87 -138.74 +REMARK 500 15 GLU A 52 -121.36 -78.94 +REMARK 500 15 ALA A 63 -178.38 -69.74 +REMARK 500 15 SER A 64 44.96 -83.72 +REMARK 500 15 ASP A 65 -56.06 -150.81 +REMARK 500 15 SER A 71 -76.18 -121.54 +REMARK 500 15 SER A 72 -60.80 165.53 +REMARK 500 15 ASP A 91 47.88 -77.30 +REMARK 500 15 ILE A 94 -83.77 -42.04 +REMARK 500 15 LEU A 97 140.36 -22.43 +REMARK 500 15 HIS A 98 -76.33 -103.19 +REMARK 500 15 ALA A 101 151.57 -45.04 +REMARK 500 15 HIS A 107 58.25 39.11 +REMARK 500 15 ARG A 108 106.63 -55.38 +REMARK 500 16 ASN A 4 -64.42 68.36 +REMARK 500 16 LYS A 8 -95.90 -43.89 +REMARK 500 16 HIS A 13 -79.84 -105.45 +REMARK 500 16 VAL A 16 61.08 -69.97 +REMARK 500 16 LEU A 25 89.17 -50.39 +REMARK 500 16 SER A 26 -159.19 -125.36 +REMARK 500 16 SER A 27 -55.33 78.54 +REMARK 500 16 SER A 40 -50.79 171.65 +REMARK 500 16 TYR A 51 -100.95 -131.17 +REMARK 500 16 SER A 64 -50.73 -178.84 +REMARK 500 16 SER A 72 -48.00 80.46 +REMARK 500 16 HIS A 86 3.54 -63.59 +REMARK 500 16 ASP A 91 26.45 -78.83 +REMARK 500 16 ILE A 94 -83.10 -43.35 +REMARK 500 16 THR A 95 -132.57 -80.00 +REMARK 500 16 HIS A 98 -99.16 -101.00 +REMARK 500 16 ALA A 101 162.61 -41.02 +REMARK 500 16 ARG A 108 -67.36 64.89 +REMARK 500 17 SER A 2 78.48 50.23 +REMARK 500 17 ASN A 4 100.80 -53.39 +REMARK 500 17 SER A 5 82.79 39.23 +REMARK 500 17 LYS A 8 -102.98 -54.59 +REMARK 500 17 HIS A 13 -81.06 -117.64 +REMARK 500 17 SER A 26 48.31 -76.32 +REMARK 500 17 SER A 27 162.22 51.99 +REMARK 500 17 GLU A 39 94.40 -38.36 +REMARK 500 17 SER A 40 -22.98 151.27 +REMARK 500 17 PRO A 42 -90.94 -75.05 +REMARK 500 17 TYR A 51 -126.96 -109.02 +REMARK 500 17 GLU A 52 49.29 -84.86 +REMARK 500 17 SER A 64 36.02 33.85 +REMARK 500 17 ASP A 65 -56.52 -142.16 +REMARK 500 17 ALA A 80 -73.48 -54.00 +REMARK 500 17 ALA A 90 66.81 -69.28 +REMARK 500 17 ASP A 91 25.25 -79.96 +REMARK 500 17 ILE A 94 -81.34 -45.05 +REMARK 500 17 LEU A 97 143.78 -29.78 +REMARK 500 17 ALA A 101 107.82 -46.21 +REMARK 500 18 SER A 2 81.81 62.37 +REMARK 500 18 ASN A 4 92.89 -55.08 +REMARK 500 18 SER A 5 -159.34 -75.60 +REMARK 500 18 LEU A 6 -156.20 80.35 +REMARK 500 18 LYS A 8 -115.33 -59.66 +REMARK 500 18 ASN A 30 42.21 -78.96 +REMARK 500 18 TYR A 51 -151.07 -116.67 +REMARK 500 18 GLU A 52 58.65 -68.92 +REMARK 500 18 ALA A 63 -72.03 -68.93 +REMARK 500 18 SER A 64 -40.99 -168.71 +REMARK 500 18 LEU A 97 147.68 -36.69 +REMARK 500 18 HIS A 98 -85.89 -113.50 +REMARK 500 18 HIS A 107 -60.82 74.37 +REMARK 500 19 ASN A 4 107.95 -40.55 +REMARK 500 19 LEU A 6 140.21 82.81 +REMARK 500 19 LYS A 8 -121.02 -59.79 +REMARK 500 19 HIS A 9 -179.88 -69.83 +REMARK 500 19 HIS A 13 -76.22 -134.01 +REMARK 500 19 LEU A 25 -144.84 -60.96 +REMARK 500 19 SER A 26 -45.74 83.64 +REMARK 500 19 SER A 27 54.71 -93.72 +REMARK 500 19 ILE A 29 -155.86 -118.42 +REMARK 500 19 ASN A 30 21.89 -79.08 +REMARK 500 19 GLU A 39 -73.21 -87.68 +REMARK 500 19 TYR A 51 -156.91 -114.58 +REMARK 500 19 GLU A 52 45.62 -100.90 +REMARK 500 19 ASN A 61 153.20 63.37 +REMARK 500 19 ALA A 63 41.09 -87.10 +REMARK 500 19 ASP A 65 -55.38 -149.17 +REMARK 500 19 SER A 72 -58.50 169.26 +REMARK 500 19 SER A 74 68.43 -114.00 +REMARK 500 19 ALA A 90 65.38 -68.53 +REMARK 500 19 ASP A 91 49.74 -77.50 +REMARK 500 19 ILE A 94 -87.24 -48.28 +REMARK 500 19 THR A 95 -123.63 -88.93 +REMARK 500 19 LEU A 97 144.92 -31.00 +REMARK 500 19 HIS A 98 -54.45 -138.00 +REMARK 500 19 ALA A 101 100.76 -42.40 +REMARK 500 19 ILE A 106 -71.28 -108.41 +REMARK 500 19 HIS A 107 55.37 176.81 +REMARK 500 19 ARG A 108 61.04 -154.30 +REMARK 500 20 SER A 2 175.93 51.93 +REMARK 500 20 SER A 5 -72.39 65.89 +REMARK 500 20 LEU A 6 -27.17 -176.94 +REMARK 500 20 LYS A 8 -109.03 -56.55 +REMARK 500 20 TRP A 11 13.08 -147.06 +REMARK 500 20 HIS A 13 -83.81 -111.61 +REMARK 500 20 LEU A 25 -75.42 -52.49 +REMARK 500 20 SER A 26 67.39 27.96 +REMARK 500 20 SER A 27 131.05 -179.25 +REMARK 500 20 ILE A 29 -165.40 -128.18 +REMARK 500 20 SER A 40 -41.64 76.27 +REMARK 500 20 PRO A 42 45.78 -74.99 +REMARK 500 20 GLU A 52 46.42 -80.34 +REMARK 500 20 ALA A 63 45.16 -82.99 +REMARK 500 20 ASP A 65 -56.03 -140.53 +REMARK 500 20 ALA A 80 -74.42 -43.59 +REMARK 500 20 ILE A 94 -89.41 -45.29 +REMARK 500 20 LEU A 97 138.92 -19.40 +REMARK 500 20 HIS A 98 -37.21 -138.78 +REMARK 500 20 ALA A 101 108.78 -52.16 +REMARK 500 20 HIS A 107 -47.61 -175.72 +REMARK 500 20 ARG A 108 108.87 -38.02 +REMARK 500 +REMARK 500 REMARK: NULL +DBREF 1AB2 A 4 104 UNP P00519 ABL1_HUMAN 120 220 +SEQRES 1 A 109 GLY SER GLY ASN SER LEU GLU LYS HIS SER TRP TYR HIS +SEQRES 2 A 109 GLY PRO VAL SER ARG ASN ALA ALA GLU TYR LEU LEU SER +SEQRES 3 A 109 SER GLY ILE ASN GLY SER PHE LEU VAL ARG GLU SER GLU +SEQRES 4 A 109 SER SER PRO GLY GLN ARG SER ILE SER LEU ARG TYR GLU +SEQRES 5 A 109 GLY ARG VAL TYR HIS TYR ARG ILE ASN THR ALA SER ASP +SEQRES 6 A 109 GLY LYS LEU TYR VAL SER SER GLU SER ARG PHE ASN THR +SEQRES 7 A 109 LEU ALA GLU LEU VAL HIS HIS HIS SER THR VAL ALA ASP +SEQRES 8 A 109 GLY LEU ILE THR THR LEU HIS TYR PRO ALA PRO LYS ARG +SEQRES 9 A 109 GLY ILE HIS ARG ASP +HELIX 1 A ARG A 18 LEU A 25 1 8 +HELIX 2 B THR A 78 VAL A 89 1 12 +SHEET 1 S1 1 TRP A 11 HIS A 13 0 +SHEET 1 S2 3 SER A 32 SER A 38 0 +SHEET 2 S2 3 GLN A 44 TYR A 51 -1 O ARG A 50 N SER A 32 +SHEET 3 S2 3 VAL A 55 ILE A 60 -1 O VAL A 55 N TYR A 51 +SHEET 1 S3 3 ASN A 61 ALA A 63 0 +SHEET 2 S3 3 LYS A 67 TYR A 69 -1 N TYR A 69 O ASN A 61 +SHEET 3 S3 3 ARG A 75 PHE A 76 -1 O PHE A 76 N LEU A 68 +SHEET 1 S4 1 LEU A 93 THR A 96 0 +SHEET 1 S5 1 ALA A 101 ARG A 104 0 +CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 1.000000 0.000000 0.000000 0.00000 +SCALE2 0.000000 1.000000 0.000000 0.00000 +SCALE3 0.000000 0.000000 1.000000 0.00000 +MODEL 1 +ATOM 1 N GLY A 1 0.469 -0.694 -0.363 1.00 1.00 N +ATOM 2 CA GLY A 1 1.265 -0.654 -1.578 1.00 1.00 C +ATOM 3 C GLY A 1 0.476 -1.203 -2.769 1.00 1.00 C +ATOM 4 O GLY A 1 -0.702 -0.891 -2.934 1.00 1.00 O +ATOM 5 H1 GLY A 1 -0.124 -1.516 -0.374 1.00 1.00 H +ATOM 6 H2 GLY A 1 1.083 -0.731 0.442 1.00 1.00 H +ATOM 7 H3 GLY A 1 -0.108 0.139 -0.310 1.00 1.00 H +ATOM 8 HA2 GLY A 1 1.572 0.371 -1.783 1.00 1.00 H +ATOM 9 HA3 GLY A 1 2.175 -1.238 -1.439 1.00 1.00 H +ATOM 10 N SER A 2 1.158 -2.012 -3.568 1.00 1.00 N +ATOM 11 CA SER A 2 0.535 -2.607 -4.737 1.00 1.00 C +ATOM 12 C SER A 2 -0.508 -3.640 -4.306 1.00 1.00 C +ATOM 13 O SER A 2 -0.162 -4.769 -3.962 1.00 1.00 O +ATOM 14 CB SER A 2 1.580 -3.255 -5.648 1.00 1.00 C +ATOM 15 OG SER A 2 2.228 -4.357 -5.017 1.00 1.00 O +ATOM 16 H SER A 2 2.116 -2.260 -3.426 1.00 1.00 H +ATOM 17 HA SER A 2 0.060 -1.779 -5.264 1.00 1.00 H +ATOM 18 HB2 SER A 2 1.102 -3.593 -6.567 1.00 1.00 H +ATOM 19 HB3 SER A 2 2.325 -2.511 -5.931 1.00 1.00 H +ATOM 20 HG SER A 2 2.509 -5.026 -5.703 1.00 1.00 H +ATOM 21 N GLY A 3 -1.763 -3.217 -4.341 1.00 1.00 N +ATOM 22 CA GLY A 3 -2.858 -4.091 -3.959 1.00 1.00 C +ATOM 23 C GLY A 3 -3.879 -3.347 -3.095 1.00 1.00 C +ATOM 24 O GLY A 3 -5.078 -3.401 -3.360 1.00 1.00 O +ATOM 25 H GLY A 3 -2.035 -2.297 -4.623 1.00 1.00 H +ATOM 26 HA2 GLY A 3 -3.347 -4.480 -4.853 1.00 1.00 H +ATOM 27 HA3 GLY A 3 -2.469 -4.949 -3.410 1.00 1.00 H +ATOM 28 N ASN A 4 -3.364 -2.670 -2.080 1.00 1.00 N +ATOM 29 CA ASN A 4 -4.215 -1.915 -1.175 1.00 1.00 C +ATOM 30 C ASN A 4 -4.006 -0.419 -1.415 1.00 1.00 C +ATOM 31 O ASN A 4 -4.969 0.343 -1.477 1.00 1.00 O +ATOM 32 CB ASN A 4 -3.869 -2.214 0.284 1.00 1.00 C +ATOM 33 CG ASN A 4 -4.627 -1.280 1.230 1.00 1.00 C +ATOM 34 OD1 ASN A 4 -4.163 -0.209 1.590 1.00 1.00 O +ATOM 35 ND2 ASN A 4 -5.813 -1.741 1.611 1.00 1.00 N +ATOM 36 H ASN A 4 -2.387 -2.632 -1.870 1.00 1.00 H +ATOM 37 HA ASN A 4 -5.232 -2.237 -1.404 1.00 1.00 H +ATOM 38 HB2 ASN A 4 -4.116 -3.250 0.517 1.00 1.00 H +ATOM 39 HB3 ASN A 4 -2.796 -2.100 0.439 1.00 1.00 H +ATOM 40 HD21 ASN A 4 -6.135 -2.628 1.279 1.00 1.00 H +ATOM 41 HD22 ASN A 4 -6.386 -1.202 2.229 1.00 1.00 H +ATOM 42 N SER A 5 -2.742 -0.044 -1.541 1.00 1.00 N +ATOM 43 CA SER A 5 -2.394 1.349 -1.771 1.00 1.00 C +ATOM 44 C SER A 5 -3.005 2.228 -0.679 1.00 1.00 C +ATOM 45 O SER A 5 -3.798 1.755 0.134 1.00 1.00 O +ATOM 46 CB SER A 5 -2.865 1.812 -3.152 1.00 1.00 C +ATOM 47 OG SER A 5 -4.286 1.794 -3.265 1.00 1.00 O +ATOM 48 H SER A 5 -1.964 -0.670 -1.488 1.00 1.00 H +ATOM 49 HA SER A 5 -1.306 1.385 -1.729 1.00 1.00 H +ATOM 50 HB2 SER A 5 -2.500 2.822 -3.338 1.00 1.00 H +ATOM 51 HB3 SER A 5 -2.432 1.169 -3.918 1.00 1.00 H +ATOM 52 HG SER A 5 -4.702 1.826 -2.356 1.00 1.00 H +ATOM 53 N LEU A 6 -2.611 3.494 -0.694 1.00 1.00 N +ATOM 54 CA LEU A 6 -3.111 4.444 0.285 1.00 1.00 C +ATOM 55 C LEU A 6 -3.925 5.525 -0.428 1.00 1.00 C +ATOM 56 O LEU A 6 -3.757 5.744 -1.627 1.00 1.00 O +ATOM 57 CB LEU A 6 -1.960 4.998 1.128 1.00 1.00 C +ATOM 58 CG LEU A 6 -1.104 3.960 1.859 1.00 1.00 C +ATOM 59 CD1 LEU A 6 -0.007 3.413 0.944 1.00 1.00 C +ATOM 60 CD2 LEU A 6 -0.534 4.536 3.157 1.00 1.00 C +ATOM 61 H LEU A 6 -1.966 3.871 -1.359 1.00 1.00 H +ATOM 62 HA LEU A 6 -3.772 3.901 0.960 1.00 1.00 H +ATOM 63 HB2 LEU A 6 -1.309 5.584 0.480 1.00 1.00 H +ATOM 64 HB3 LEU A 6 -2.375 5.683 1.867 1.00 1.00 H +ATOM 65 HG LEU A 6 -1.743 3.121 2.132 1.00 1.00 H +ATOM 66 HD11 LEU A 6 0.095 4.059 0.072 1.00 1.00 H +ATOM 67 HD12 LEU A 6 0.938 3.384 1.487 1.00 1.00 H +ATOM 68 HD13 LEU A 6 -0.272 2.406 0.621 1.00 1.00 H +ATOM 69 HD21 LEU A 6 -0.950 5.529 3.327 1.00 1.00 H +ATOM 70 HD22 LEU A 6 -0.797 3.885 3.990 1.00 1.00 H +ATOM 71 HD23 LEU A 6 0.551 4.605 3.078 1.00 1.00 H +ATOM 72 N GLU A 7 -4.791 6.171 0.339 1.00 1.00 N +ATOM 73 CA GLU A 7 -5.632 7.223 -0.204 1.00 1.00 C +ATOM 74 C GLU A 7 -4.814 8.496 -0.427 1.00 1.00 C +ATOM 75 O GLU A 7 -5.037 9.507 0.237 1.00 1.00 O +ATOM 76 CB GLU A 7 -6.830 7.495 0.708 1.00 1.00 C +ATOM 77 CG GLU A 7 -8.142 7.127 0.014 1.00 1.00 C +ATOM 78 CD GLU A 7 -8.921 8.382 -0.388 1.00 1.00 C +ATOM 79 OE1 GLU A 7 -8.634 8.850 -1.554 1.00 1.00 O +ATOM 80 OE2 GLU A 7 -9.752 8.872 0.391 1.00 1.00 O +ATOM 81 H GLU A 7 -4.921 5.987 1.313 1.00 1.00 H +ATOM 82 HA GLU A 7 -5.992 6.842 -1.161 1.00 1.00 H +ATOM 83 HB2 GLU A 7 -6.728 6.920 1.628 1.00 1.00 H +ATOM 84 HB3 GLU A 7 -6.845 8.548 0.991 1.00 1.00 H +ATOM 85 HG2 GLU A 7 -7.935 6.525 -0.870 1.00 1.00 H +ATOM 86 HG3 GLU A 7 -8.751 6.515 0.680 1.00 1.00 H +ATOM 87 N LYS A 8 -3.881 8.405 -1.364 1.00 1.00 N +ATOM 88 CA LYS A 8 -3.026 9.537 -1.682 1.00 1.00 C +ATOM 89 C LYS A 8 -3.897 10.727 -2.094 1.00 1.00 C +ATOM 90 O LYS A 8 -4.509 11.375 -1.246 1.00 1.00 O +ATOM 91 CB LYS A 8 -1.986 9.144 -2.732 1.00 1.00 C +ATOM 92 CG LYS A 8 -0.846 10.165 -2.784 1.00 1.00 C +ATOM 93 CD LYS A 8 -0.879 10.958 -4.092 1.00 1.00 C +ATOM 94 CE LYS A 8 0.257 11.981 -4.141 1.00 1.00 C +ATOM 95 NZ LYS A 8 1.545 11.313 -4.430 1.00 1.00 N +ATOM 96 H LYS A 8 -3.704 7.579 -1.899 1.00 1.00 H +ATOM 97 HA LYS A 8 -2.485 9.803 -0.774 1.00 1.00 H +ATOM 98 HB2 LYS A 8 -1.585 8.158 -2.502 1.00 1.00 H +ATOM 99 HB3 LYS A 8 -2.460 9.074 -3.712 1.00 1.00 H +ATOM 100 HG2 LYS A 8 -0.927 10.848 -1.938 1.00 1.00 H +ATOM 101 HG3 LYS A 8 0.110 9.652 -2.689 1.00 1.00 H +ATOM 102 HD2 LYS A 8 -0.795 10.275 -4.938 1.00 1.00 H +ATOM 103 HD3 LYS A 8 -1.838 11.468 -4.189 1.00 1.00 H +ATOM 104 HE2 LYS A 8 0.048 12.727 -4.907 1.00 1.00 H +ATOM 105 HE3 LYS A 8 0.319 12.509 -3.190 1.00 1.00 H +ATOM 106 HZ1 LYS A 8 1.449 10.737 -5.254 1.00 1.00 H +ATOM 107 HZ2 LYS A 8 2.291 11.979 -4.595 1.00 1.00 H +ATOM 108 HZ3 LYS A 8 1.807 10.733 -3.644 1.00 1.00 H +ATOM 109 N HIS A 9 -3.923 10.978 -3.394 1.00 1.00 N +ATOM 110 CA HIS A 9 -4.708 12.078 -3.928 1.00 1.00 C +ATOM 111 C HIS A 9 -6.157 11.626 -4.126 1.00 1.00 C +ATOM 112 O HIS A 9 -6.508 10.494 -3.797 1.00 1.00 O +ATOM 113 CB HIS A 9 -4.077 12.623 -5.211 1.00 1.00 C +ATOM 114 CG HIS A 9 -2.959 13.610 -4.972 1.00 1.00 C +ATOM 115 ND1 HIS A 9 -2.255 13.673 -3.783 1.00 1.00 N +ATOM 116 CD2 HIS A 9 -2.430 14.570 -5.784 1.00 1.00 C +ATOM 117 CE1 HIS A 9 -1.347 14.632 -3.884 1.00 1.00 C +ATOM 118 NE2 HIS A 9 -1.456 15.186 -5.125 1.00 1.00 N +ATOM 119 H HIS A 9 -3.423 10.445 -4.077 1.00 1.00 H +ATOM 120 HA HIS A 9 -4.683 12.871 -3.182 1.00 1.00 H +ATOM 121 HB2 HIS A 9 -3.693 11.789 -5.798 1.00 1.00 H +ATOM 122 HB3 HIS A 9 -4.851 13.105 -5.808 1.00 1.00 H +ATOM 123 HD1 HIS A 9 -2.407 13.093 -2.982 1.00 1.00 H +ATOM 124 HD2 HIS A 9 -2.751 14.792 -6.802 1.00 1.00 H +ATOM 125 HE1 HIS A 9 -0.636 14.925 -3.111 1.00 1.00 H +ATOM 126 N SER A 10 -6.958 12.535 -4.662 1.00 1.00 N +ATOM 127 CA SER A 10 -8.361 12.245 -4.908 1.00 1.00 C +ATOM 128 C SER A 10 -8.509 11.435 -6.198 1.00 1.00 C +ATOM 129 O SER A 10 -9.623 11.198 -6.661 1.00 1.00 O +ATOM 130 CB SER A 10 -9.183 13.532 -4.992 1.00 1.00 C +ATOM 131 OG SER A 10 -10.584 13.274 -4.951 1.00 1.00 O +ATOM 132 H SER A 10 -6.664 13.453 -4.927 1.00 1.00 H +ATOM 133 HA SER A 10 -8.689 11.660 -4.049 1.00 1.00 H +ATOM 134 HB2 SER A 10 -8.911 14.190 -4.167 1.00 1.00 H +ATOM 135 HB3 SER A 10 -8.938 14.059 -5.915 1.00 1.00 H +ATOM 136 HG SER A 10 -11.047 13.786 -5.675 1.00 1.00 H +ATOM 137 N TRP A 11 -7.369 11.032 -6.741 1.00 1.00 N +ATOM 138 CA TRP A 11 -7.359 10.254 -7.968 1.00 1.00 C +ATOM 139 C TRP A 11 -6.537 8.988 -7.718 1.00 1.00 C +ATOM 140 O TRP A 11 -6.228 8.250 -8.652 1.00 1.00 O +ATOM 141 CB TRP A 11 -6.834 11.086 -9.140 1.00 1.00 C +ATOM 142 CG TRP A 11 -5.645 11.980 -8.786 1.00 1.00 C +ATOM 143 CD1 TRP A 11 -5.622 13.315 -8.670 1.00 1.00 C +ATOM 144 CD2 TRP A 11 -4.297 11.547 -8.504 1.00 1.00 C +ATOM 145 NE1 TRP A 11 -4.364 13.772 -8.335 1.00 1.00 N +ATOM 146 CE2 TRP A 11 -3.533 12.663 -8.231 1.00 1.00 C +ATOM 147 CE3 TRP A 11 -3.743 10.256 -8.480 1.00 1.00 C +ATOM 148 CZ2 TRP A 11 -2.170 12.601 -7.916 1.00 1.00 C +ATOM 149 CZ3 TRP A 11 -2.380 10.210 -8.164 1.00 1.00 C +ATOM 150 CH2 TRP A 11 -1.596 11.324 -7.886 1.00 1.00 C +ATOM 151 H TRP A 11 -6.467 11.230 -6.358 1.00 1.00 H +ATOM 152 HA TRP A 11 -8.389 9.989 -8.202 1.00 1.00 H +ATOM 153 HB2 TRP A 11 -6.542 10.414 -9.947 1.00 1.00 H +ATOM 154 HB3 TRP A 11 -7.644 11.709 -9.521 1.00 1.00 H +ATOM 155 HD1 TRP A 11 -6.489 13.958 -8.820 1.00 1.00 H +ATOM 156 HE1 TRP A 11 -4.075 14.812 -8.181 1.00 1.00 H +ATOM 157 HE3 TRP A 11 -4.325 9.359 -8.692 1.00 1.00 H +ATOM 158 HZ2 TRP A 11 -1.587 13.497 -7.704 1.00 1.00 H +ATOM 159 HZ3 TRP A 11 -1.899 9.232 -8.131 1.00 1.00 H +ATOM 160 HH2 TRP A 11 -0.539 11.204 -7.647 1.00 1.00 H +ATOM 161 N TYR A 12 -6.205 8.776 -6.452 1.00 1.00 N +ATOM 162 CA TYR A 12 -5.425 7.613 -6.067 1.00 1.00 C +ATOM 163 C TYR A 12 -6.255 6.656 -5.209 1.00 1.00 C +ATOM 164 O TYR A 12 -6.340 6.821 -3.994 1.00 1.00 O +ATOM 165 CB TYR A 12 -4.258 8.145 -5.233 1.00 1.00 C +ATOM 166 CG TYR A 12 -2.942 7.395 -5.454 1.00 1.00 C +ATOM 167 CD1 TYR A 12 -2.417 7.283 -6.726 1.00 1.00 C +ATOM 168 CD2 TYR A 12 -2.281 6.831 -4.382 1.00 1.00 C +ATOM 169 CE1 TYR A 12 -1.179 6.578 -6.934 1.00 1.00 C +ATOM 170 CE2 TYR A 12 -1.043 6.126 -4.591 1.00 1.00 C +ATOM 171 CZ TYR A 12 -0.553 6.034 -5.856 1.00 1.00 C +ATOM 172 OH TYR A 12 0.616 5.367 -6.052 1.00 1.00 O +ATOM 173 H TYR A 12 -6.461 9.382 -5.698 1.00 1.00 H +ATOM 174 HA TYR A 12 -5.117 7.099 -6.978 1.00 1.00 H +ATOM 175 HB2 TYR A 12 -4.108 9.198 -5.468 1.00 1.00 H +ATOM 176 HB3 TYR A 12 -4.523 8.089 -4.178 1.00 1.00 H +ATOM 177 HD1 TYR A 12 -2.939 7.729 -7.572 1.00 1.00 H +ATOM 178 HD2 TYR A 12 -2.696 6.919 -3.379 1.00 1.00 H +ATOM 179 HE1 TYR A 12 -0.754 6.481 -7.933 1.00 1.00 H +ATOM 180 HE2 TYR A 12 -0.511 5.675 -3.753 1.00 1.00 H +ATOM 181 HH TYR A 12 1.294 5.661 -5.379 1.00 1.00 H +ATOM 182 N HIS A 13 -6.845 5.676 -5.876 1.00 1.00 N +ATOM 183 CA HIS A 13 -7.665 4.691 -5.190 1.00 1.00 C +ATOM 184 C HIS A 13 -6.904 3.368 -5.090 1.00 1.00 C +ATOM 185 O HIS A 13 -6.654 2.873 -3.993 1.00 1.00 O +ATOM 186 CB HIS A 13 -9.025 4.543 -5.877 1.00 1.00 C +ATOM 187 CG HIS A 13 -8.937 4.230 -7.351 1.00 1.00 C +ATOM 188 ND1 HIS A 13 -9.395 3.042 -7.894 1.00 1.00 N +ATOM 189 CD2 HIS A 13 -8.441 4.961 -8.390 1.00 1.00 C +ATOM 190 CE1 HIS A 13 -9.178 3.068 -9.201 1.00 1.00 C +ATOM 191 NE2 HIS A 13 -8.586 4.258 -9.506 1.00 1.00 N +ATOM 192 H HIS A 13 -6.772 5.548 -6.865 1.00 1.00 H +ATOM 193 HA HIS A 13 -7.841 5.076 -4.186 1.00 1.00 H +ATOM 194 HB2 HIS A 13 -9.586 3.751 -5.380 1.00 1.00 H +ATOM 195 HB3 HIS A 13 -9.590 5.466 -5.744 1.00 1.00 H +ATOM 196 HD1 HIS A 13 -9.818 2.292 -7.386 1.00 1.00 H +ATOM 197 HD2 HIS A 13 -7.999 5.955 -8.314 1.00 1.00 H +ATOM 198 HE1 HIS A 13 -9.430 2.278 -9.908 1.00 1.00 H +ATOM 199 N GLY A 14 -6.556 2.833 -6.252 1.00 1.00 N +ATOM 200 CA GLY A 14 -5.828 1.577 -6.310 1.00 1.00 C +ATOM 201 C GLY A 14 -5.666 1.103 -7.755 1.00 1.00 C +ATOM 202 O GLY A 14 -5.883 1.870 -8.692 1.00 1.00 O +ATOM 203 H GLY A 14 -6.764 3.243 -7.140 1.00 1.00 H +ATOM 204 HA2 GLY A 14 -4.847 1.700 -5.851 1.00 1.00 H +ATOM 205 HA3 GLY A 14 -6.357 0.819 -5.731 1.00 1.00 H +ATOM 206 N PRO A 15 -5.278 -0.192 -7.895 1.00 1.00 N +ATOM 207 CA PRO A 15 -5.084 -0.778 -9.211 1.00 1.00 C +ATOM 208 C PRO A 15 -6.426 -1.073 -9.882 1.00 1.00 C +ATOM 209 O PRO A 15 -7.303 -1.693 -9.281 1.00 1.00 O +ATOM 210 CB PRO A 15 -4.255 -2.028 -8.966 1.00 1.00 C +ATOM 211 CG PRO A 15 -4.408 -2.348 -7.488 1.00 1.00 C +ATOM 212 CD PRO A 15 -5.012 -1.130 -6.808 1.00 1.00 C +ATOM 213 HA PRO A 15 -4.613 -0.133 -9.812 1.00 1.00 H +ATOM 214 HB2 PRO A 15 -4.605 -2.856 -9.583 1.00 1.00 H +ATOM 215 HB3 PRO A 15 -3.209 -1.860 -9.224 1.00 1.00 H +ATOM 216 HG2 PRO A 15 -5.048 -3.220 -7.351 1.00 1.00 H +ATOM 217 HG3 PRO A 15 -3.440 -2.591 -7.048 1.00 1.00 H +ATOM 218 HD2 PRO A 15 -5.928 -1.388 -6.275 1.00 1.00 H +ATOM 219 HD3 PRO A 15 -4.325 -0.705 -6.076 1.00 1.00 H +ATOM 220 N VAL A 16 -6.547 -0.614 -11.119 1.00 1.00 N +ATOM 221 CA VAL A 16 -7.768 -0.821 -11.880 1.00 1.00 C +ATOM 222 C VAL A 16 -7.418 -1.011 -13.357 1.00 1.00 C +ATOM 223 O VAL A 16 -6.931 -0.088 -14.007 1.00 1.00 O +ATOM 224 CB VAL A 16 -8.736 0.340 -11.640 1.00 1.00 C +ATOM 225 CG1 VAL A 16 -8.043 1.686 -11.862 1.00 1.00 C +ATOM 226 CG2 VAL A 16 -9.977 0.209 -12.524 1.00 1.00 C +ATOM 227 H VAL A 16 -5.829 -0.111 -11.601 1.00 1.00 H +ATOM 228 HA VAL A 16 -8.235 -1.732 -11.509 1.00 1.00 H +ATOM 229 HB VAL A 16 -9.058 0.297 -10.599 1.00 1.00 H +ATOM 230 HG11 VAL A 16 -7.370 1.612 -12.716 1.00 1.00 H +ATOM 231 HG12 VAL A 16 -8.793 2.452 -12.056 1.00 1.00 H +ATOM 232 HG13 VAL A 16 -7.473 1.952 -10.972 1.00 1.00 H +ATOM 233 HG21 VAL A 16 -9.835 -0.607 -13.232 1.00 1.00 H +ATOM 234 HG22 VAL A 16 -10.847 0.001 -11.901 1.00 1.00 H +ATOM 235 HG23 VAL A 16 -10.135 1.140 -13.068 1.00 1.00 H +ATOM 236 N SER A 17 -7.679 -2.216 -13.842 1.00 1.00 N +ATOM 237 CA SER A 17 -7.398 -2.540 -15.231 1.00 1.00 C +ATOM 238 C SER A 17 -8.250 -1.669 -16.154 1.00 1.00 C +ATOM 239 O SER A 17 -9.404 -1.372 -15.845 1.00 1.00 O +ATOM 240 CB SER A 17 -7.654 -4.022 -15.513 1.00 1.00 C +ATOM 241 OG SER A 17 -6.444 -4.772 -15.572 1.00 1.00 O +ATOM 242 H SER A 17 -8.075 -2.962 -13.306 1.00 1.00 H +ATOM 243 HA SER A 17 -6.338 -2.323 -15.369 1.00 1.00 H +ATOM 244 HB2 SER A 17 -8.298 -4.433 -14.735 1.00 1.00 H +ATOM 245 HB3 SER A 17 -8.190 -4.124 -16.457 1.00 1.00 H +ATOM 246 HG SER A 17 -5.659 -4.165 -15.441 1.00 1.00 H +ATOM 247 N ARG A 18 -7.651 -1.282 -17.271 1.00 1.00 N +ATOM 248 CA ARG A 18 -8.341 -0.450 -18.242 1.00 1.00 C +ATOM 249 C ARG A 18 -9.645 -1.117 -18.680 1.00 1.00 C +ATOM 250 O ARG A 18 -10.698 -0.480 -18.693 1.00 1.00 O +ATOM 251 CB ARG A 18 -7.466 -0.199 -19.472 1.00 1.00 C +ATOM 252 CG ARG A 18 -6.500 -1.362 -19.705 1.00 1.00 C +ATOM 253 CD ARG A 18 -6.187 -1.526 -21.194 1.00 1.00 C +ATOM 254 NE ARG A 18 -5.608 -2.865 -21.445 1.00 1.00 N +ATOM 255 CZ ARG A 18 -6.336 -3.968 -21.662 1.00 1.00 C +ATOM 256 NH1 ARG A 18 -7.674 -3.901 -21.659 1.00 1.00 N +ATOM 257 NH2 ARG A 18 -5.725 -5.141 -21.881 1.00 1.00 N +ATOM 258 H ARG A 18 -6.712 -1.527 -17.515 1.00 1.00 H +ATOM 259 HA ARG A 18 -8.535 0.486 -17.718 1.00 1.00 H +ATOM 260 HB2 ARG A 18 -8.097 -0.065 -20.350 1.00 1.00 H +ATOM 261 HB3 ARG A 18 -6.903 0.725 -19.340 1.00 1.00 H +ATOM 262 HG2 ARG A 18 -5.577 -1.189 -19.153 1.00 1.00 H +ATOM 263 HG3 ARG A 18 -6.935 -2.284 -19.318 1.00 1.00 H +ATOM 264 HD2 ARG A 18 -7.096 -1.397 -21.781 1.00 1.00 H +ATOM 265 HD3 ARG A 18 -5.489 -0.753 -21.514 1.00 1.00 H +ATOM 266 HE ARG A 18 -4.612 -2.950 -21.454 1.00 1.00 H +ATOM 267 HH11 ARG A 18 -8.130 -3.026 -21.495 1.00 1.00 H +ATOM 268 HH12 ARG A 18 -8.217 -4.725 -21.821 1.00 1.00 H +ATOM 269 HH21 ARG A 18 -4.727 -5.192 -21.884 1.00 1.00 H +ATOM 270 HH22 ARG A 18 -6.268 -5.965 -22.043 1.00 1.00 H +ATOM 271 N ASN A 19 -9.535 -2.391 -19.026 1.00 1.00 N +ATOM 272 CA ASN A 19 -10.694 -3.151 -19.463 1.00 1.00 C +ATOM 273 C ASN A 19 -11.872 -2.857 -18.533 1.00 1.00 C +ATOM 274 O ASN A 19 -12.913 -2.378 -18.977 1.00 1.00 O +ATOM 275 CB ASN A 19 -10.416 -4.655 -19.414 1.00 1.00 C +ATOM 276 CG ASN A 19 -9.465 -5.000 -18.266 1.00 1.00 C +ATOM 277 OD1 ASN A 19 -9.874 -5.324 -17.163 1.00 1.00 O +ATOM 278 ND2 ASN A 19 -8.178 -4.912 -18.586 1.00 1.00 N +ATOM 279 H ASN A 19 -8.676 -2.901 -19.012 1.00 1.00 H +ATOM 280 HA ASN A 19 -10.880 -2.826 -20.487 1.00 1.00 H +ATOM 281 HB2 ASN A 19 -11.354 -5.198 -19.290 1.00 1.00 H +ATOM 282 HB3 ASN A 19 -9.983 -4.979 -20.360 1.00 1.00 H +ATOM 283 HD21 ASN A 19 -7.909 -4.640 -19.509 1.00 1.00 H +ATOM 284 HD22 ASN A 19 -7.478 -5.119 -17.902 1.00 1.00 H +ATOM 285 N ALA A 20 -11.667 -3.158 -17.258 1.00 1.00 N +ATOM 286 CA ALA A 20 -12.700 -2.931 -16.261 1.00 1.00 C +ATOM 287 C ALA A 20 -13.033 -1.439 -16.207 1.00 1.00 C +ATOM 288 O ALA A 20 -14.150 -1.060 -15.862 1.00 1.00 O +ATOM 289 CB ALA A 20 -12.231 -3.473 -14.910 1.00 1.00 C +ATOM 290 H ALA A 20 -10.817 -3.547 -16.906 1.00 1.00 H +ATOM 291 HA ALA A 20 -13.588 -3.482 -16.572 1.00 1.00 H +ATOM 292 HB1 ALA A 20 -11.712 -4.420 -15.058 1.00 1.00 H +ATOM 293 HB2 ALA A 20 -11.556 -2.756 -14.445 1.00 1.00 H +ATOM 294 HB3 ALA A 20 -13.095 -3.631 -14.262 1.00 1.00 H +ATOM 295 N ALA A 21 -12.040 -0.631 -16.554 1.00 1.00 N +ATOM 296 CA ALA A 21 -12.214 0.811 -16.549 1.00 1.00 C +ATOM 297 C ALA A 21 -13.233 1.202 -17.621 1.00 1.00 C +ATOM 298 O ALA A 21 -14.326 1.670 -17.303 1.00 1.00 O +ATOM 299 CB ALA A 21 -10.858 1.489 -16.760 1.00 1.00 C +ATOM 300 H ALA A 21 -11.134 -0.946 -16.833 1.00 1.00 H +ATOM 301 HA ALA A 21 -12.601 1.097 -15.570 1.00 1.00 H +ATOM 302 HB1 ALA A 21 -10.060 0.795 -16.496 1.00 1.00 H +ATOM 303 HB2 ALA A 21 -10.757 1.781 -17.804 1.00 1.00 H +ATOM 304 HB3 ALA A 21 -10.793 2.375 -16.126 1.00 1.00 H +ATOM 305 N GLU A 22 -12.840 0.996 -18.869 1.00 1.00 N +ATOM 306 CA GLU A 22 -13.706 1.321 -19.990 1.00 1.00 C +ATOM 307 C GLU A 22 -14.987 0.485 -19.931 1.00 1.00 C +ATOM 308 O GLU A 22 -16.048 0.940 -20.352 1.00 1.00 O +ATOM 309 CB GLU A 22 -12.980 1.117 -21.321 1.00 1.00 C +ATOM 310 CG GLU A 22 -11.898 0.042 -21.197 1.00 1.00 C +ATOM 311 CD GLU A 22 -11.637 -0.632 -22.545 1.00 1.00 C +ATOM 312 OE1 GLU A 22 -11.797 0.067 -23.569 1.00 1.00 O +ATOM 313 OE2 GLU A 22 -11.284 -1.831 -22.521 1.00 1.00 O +ATOM 314 H GLU A 22 -11.950 0.616 -19.120 1.00 1.00 H +ATOM 315 HA GLU A 22 -13.947 2.378 -19.873 1.00 1.00 H +ATOM 316 HB2 GLU A 22 -13.697 0.830 -22.090 1.00 1.00 H +ATOM 317 HB3 GLU A 22 -12.529 2.056 -21.641 1.00 1.00 H +ATOM 318 HG2 GLU A 22 -10.976 0.490 -20.825 1.00 1.00 H +ATOM 319 HG3 GLU A 22 -12.206 -0.706 -20.466 1.00 1.00 H +ATOM 320 N TYR A 23 -14.844 -0.721 -19.404 1.00 1.00 N +ATOM 321 CA TYR A 23 -15.976 -1.625 -19.284 1.00 1.00 C +ATOM 322 C TYR A 23 -16.867 -1.232 -18.104 1.00 1.00 C +ATOM 323 O TYR A 23 -18.006 -0.810 -18.295 1.00 1.00 O +ATOM 324 CB TYR A 23 -15.384 -3.011 -19.022 1.00 1.00 C +ATOM 325 CG TYR A 23 -16.428 -4.123 -18.917 1.00 1.00 C +ATOM 326 CD1 TYR A 23 -17.198 -4.243 -17.778 1.00 1.00 C +ATOM 327 CD2 TYR A 23 -16.601 -5.009 -19.962 1.00 1.00 C +ATOM 328 CE1 TYR A 23 -18.181 -5.290 -17.679 1.00 1.00 C +ATOM 329 CE2 TYR A 23 -17.584 -6.056 -19.863 1.00 1.00 C +ATOM 330 CZ TYR A 23 -18.325 -6.146 -18.727 1.00 1.00 C +ATOM 331 OH TYR A 23 -19.254 -7.136 -18.634 1.00 1.00 O +ATOM 332 H TYR A 23 -13.977 -1.084 -19.063 1.00 1.00 H +ATOM 333 HA TYR A 23 -16.556 -1.561 -20.204 1.00 1.00 H +ATOM 334 HB2 TYR A 23 -14.687 -3.255 -19.825 1.00 1.00 H +ATOM 335 HB3 TYR A 23 -14.806 -2.980 -18.097 1.00 1.00 H +ATOM 336 HD1 TYR A 23 -17.062 -3.544 -16.953 1.00 1.00 H +ATOM 337 HD2 TYR A 23 -15.993 -4.915 -20.862 1.00 1.00 H +ATOM 338 HE1 TYR A 23 -18.796 -5.396 -16.786 1.00 1.00 H +ATOM 339 HE2 TYR A 23 -17.731 -6.763 -20.681 1.00 1.00 H +ATOM 340 HH TYR A 23 -19.463 -7.319 -17.673 1.00 1.00 H +ATOM 341 N LEU A 24 -16.315 -1.387 -16.909 1.00 1.00 N +ATOM 342 CA LEU A 24 -17.045 -1.054 -15.698 1.00 1.00 C +ATOM 343 C LEU A 24 -17.514 0.400 -15.774 1.00 1.00 C +ATOM 344 O LEU A 24 -18.706 0.665 -15.924 1.00 1.00 O +ATOM 345 CB LEU A 24 -16.200 -1.365 -14.460 1.00 1.00 C +ATOM 346 CG LEU A 24 -16.977 -1.645 -13.172 1.00 1.00 C +ATOM 347 CD1 LEU A 24 -16.048 -2.172 -12.076 1.00 1.00 C +ATOM 348 CD2 LEU A 24 -17.753 -0.407 -12.720 1.00 1.00 C +ATOM 349 H LEU A 24 -15.387 -1.732 -16.762 1.00 1.00 H +ATOM 350 HA LEU A 24 -17.923 -1.699 -15.659 1.00 1.00 H +ATOM 351 HB2 LEU A 24 -15.574 -2.230 -14.680 1.00 1.00 H +ATOM 352 HB3 LEU A 24 -15.530 -0.523 -14.282 1.00 1.00 H +ATOM 353 HG LEU A 24 -17.708 -2.427 -13.377 1.00 1.00 H +ATOM 354 HD11 LEU A 24 -15.181 -1.515 -11.988 1.00 1.00 H +ATOM 355 HD12 LEU A 24 -16.583 -2.197 -11.127 1.00 1.00 H +ATOM 356 HD13 LEU A 24 -15.716 -3.178 -12.333 1.00 1.00 H +ATOM 357 HD21 LEU A 24 -17.493 0.438 -13.356 1.00 1.00 H +ATOM 358 HD22 LEU A 24 -18.823 -0.602 -12.794 1.00 1.00 H +ATOM 359 HD23 LEU A 24 -17.498 -0.176 -11.685 1.00 1.00 H +ATOM 360 N LEU A 25 -16.553 1.304 -15.665 1.00 1.00 N +ATOM 361 CA LEU A 25 -16.852 2.726 -15.719 1.00 1.00 C +ATOM 362 C LEU A 25 -17.575 3.040 -17.030 1.00 1.00 C +ATOM 363 O LEU A 25 -16.959 3.054 -18.094 1.00 1.00 O +ATOM 364 CB LEU A 25 -15.581 3.550 -15.504 1.00 1.00 C +ATOM 365 CG LEU A 25 -15.496 4.865 -16.281 1.00 1.00 C +ATOM 366 CD1 LEU A 25 -15.736 6.063 -15.359 1.00 1.00 C +ATOM 367 CD2 LEU A 25 -14.166 4.975 -17.029 1.00 1.00 C +ATOM 368 H LEU A 25 -15.585 1.081 -15.542 1.00 1.00 H +ATOM 369 HA LEU A 25 -17.525 2.949 -14.891 1.00 1.00 H +ATOM 370 HB2 LEU A 25 -15.492 3.772 -14.441 1.00 1.00 H +ATOM 371 HB3 LEU A 25 -14.723 2.934 -15.775 1.00 1.00 H +ATOM 372 HG LEU A 25 -16.287 4.871 -17.030 1.00 1.00 H +ATOM 373 HD11 LEU A 25 -16.113 5.712 -14.399 1.00 1.00 H +ATOM 374 HD12 LEU A 25 -14.798 6.598 -15.208 1.00 1.00 H +ATOM 375 HD13 LEU A 25 -16.466 6.732 -15.815 1.00 1.00 H +ATOM 376 HD21 LEU A 25 -13.691 3.994 -17.072 1.00 1.00 H +ATOM 377 HD22 LEU A 25 -14.346 5.336 -18.042 1.00 1.00 H +ATOM 378 HD23 LEU A 25 -13.512 5.672 -16.506 1.00 1.00 H +ATOM 379 N SER A 26 -18.872 3.285 -16.910 1.00 1.00 N +ATOM 380 CA SER A 26 -19.685 3.599 -18.072 1.00 1.00 C +ATOM 381 C SER A 26 -19.346 5.000 -18.584 1.00 1.00 C +ATOM 382 O SER A 26 -19.748 5.377 -19.685 1.00 1.00 O +ATOM 383 CB SER A 26 -21.176 3.501 -17.743 1.00 1.00 C +ATOM 384 OG SER A 26 -21.992 3.784 -18.877 1.00 1.00 O +ATOM 385 H SER A 26 -19.365 3.272 -16.039 1.00 1.00 H +ATOM 386 HA SER A 26 -19.427 2.847 -18.816 1.00 1.00 H +ATOM 387 HB2 SER A 26 -21.401 2.499 -17.376 1.00 1.00 H +ATOM 388 HB3 SER A 26 -21.418 4.197 -16.940 1.00 1.00 H +ATOM 389 HG SER A 26 -22.774 3.160 -18.900 1.00 1.00 H +ATOM 390 N SER A 27 -18.611 5.735 -17.764 1.00 1.00 N +ATOM 391 CA SER A 27 -18.213 7.086 -18.120 1.00 1.00 C +ATOM 392 C SER A 27 -19.452 7.965 -18.302 1.00 1.00 C +ATOM 393 O SER A 27 -20.324 7.656 -19.113 1.00 1.00 O +ATOM 394 CB SER A 27 -17.366 7.093 -19.395 1.00 1.00 C +ATOM 395 OG SER A 27 -16.047 6.607 -19.162 1.00 1.00 O +ATOM 396 H SER A 27 -18.287 5.421 -16.871 1.00 1.00 H +ATOM 397 HA SER A 27 -17.611 7.440 -17.284 1.00 1.00 H +ATOM 398 HB2 SER A 27 -17.850 6.478 -20.154 1.00 1.00 H +ATOM 399 HB3 SER A 27 -17.314 8.106 -19.791 1.00 1.00 H +ATOM 400 HG SER A 27 -16.081 5.653 -18.864 1.00 1.00 H +ATOM 401 N GLY A 28 -19.490 9.044 -17.534 1.00 1.00 N +ATOM 402 CA GLY A 28 -20.608 9.970 -17.599 1.00 1.00 C +ATOM 403 C GLY A 28 -20.471 11.070 -16.544 1.00 1.00 C +ATOM 404 O GLY A 28 -21.185 11.067 -15.542 1.00 1.00 O +ATOM 405 H GLY A 28 -18.776 9.288 -16.877 1.00 1.00 H +ATOM 406 HA2 GLY A 28 -20.656 10.417 -18.592 1.00 1.00 H +ATOM 407 HA3 GLY A 28 -21.542 9.430 -17.447 1.00 1.00 H +ATOM 408 N ILE A 29 -19.549 11.985 -16.807 1.00 1.00 N +ATOM 409 CA ILE A 29 -19.309 13.089 -15.892 1.00 1.00 C +ATOM 410 C ILE A 29 -18.761 14.284 -16.675 1.00 1.00 C +ATOM 411 O ILE A 29 -18.679 14.241 -17.901 1.00 1.00 O +ATOM 412 CB ILE A 29 -18.409 12.643 -14.738 1.00 1.00 C +ATOM 413 CG1 ILE A 29 -17.430 11.560 -15.194 1.00 1.00 C +ATOM 414 CG2 ILE A 29 -19.241 12.195 -13.535 1.00 1.00 C +ATOM 415 CD1 ILE A 29 -16.201 11.514 -14.284 1.00 1.00 C +ATOM 416 H ILE A 29 -18.973 11.981 -17.624 1.00 1.00 H +ATOM 417 HA ILE A 29 -20.271 13.371 -15.461 1.00 1.00 H +ATOM 418 HB ILE A 29 -17.815 13.500 -14.418 1.00 1.00 H +ATOM 419 HG12 ILE A 29 -17.927 10.590 -15.190 1.00 1.00 H +ATOM 420 HG13 ILE A 29 -17.119 11.754 -16.220 1.00 1.00 H +ATOM 421 HG21 ILE A 29 -19.900 13.006 -13.227 1.00 1.00 H +ATOM 422 HG22 ILE A 29 -19.838 11.325 -13.811 1.00 1.00 H +ATOM 423 HG23 ILE A 29 -18.577 11.933 -12.712 1.00 1.00 H +ATOM 424 HD11 ILE A 29 -16.342 12.200 -13.449 1.00 1.00 H +ATOM 425 HD12 ILE A 29 -16.069 10.501 -13.903 1.00 1.00 H +ATOM 426 HD13 ILE A 29 -15.317 11.806 -14.851 1.00 1.00 H +ATOM 427 N ASN A 30 -18.398 15.320 -15.933 1.00 1.00 N +ATOM 428 CA ASN A 30 -17.859 16.524 -16.542 1.00 1.00 C +ATOM 429 C ASN A 30 -16.400 16.283 -16.935 1.00 1.00 C +ATOM 430 O ASN A 30 -15.810 17.076 -17.666 1.00 1.00 O +ATOM 431 CB ASN A 30 -17.898 17.700 -15.565 1.00 1.00 C +ATOM 432 CG ASN A 30 -18.550 18.927 -16.209 1.00 1.00 C +ATOM 433 OD1 ASN A 30 -19.698 18.907 -16.619 1.00 1.00 O +ATOM 434 ND2 ASN A 30 -17.754 19.990 -16.274 1.00 1.00 N +ATOM 435 H ASN A 30 -18.467 15.346 -14.937 1.00 1.00 H +ATOM 436 HA ASN A 30 -18.496 16.719 -17.406 1.00 1.00 H +ATOM 437 HB2 ASN A 30 -18.453 17.417 -14.671 1.00 1.00 H +ATOM 438 HB3 ASN A 30 -16.885 17.948 -15.247 1.00 1.00 H +ATOM 439 HD21 ASN A 30 -16.820 19.939 -15.919 1.00 1.00 H +ATOM 440 HD22 ASN A 30 -18.089 20.841 -16.679 1.00 1.00 H +ATOM 441 N GLY A 31 -15.859 15.183 -16.429 1.00 1.00 N +ATOM 442 CA GLY A 31 -14.480 14.828 -16.717 1.00 1.00 C +ATOM 443 C GLY A 31 -13.726 14.472 -15.434 1.00 1.00 C +ATOM 444 O GLY A 31 -13.402 15.351 -14.636 1.00 1.00 O +ATOM 445 H GLY A 31 -16.345 14.543 -15.834 1.00 1.00 H +ATOM 446 HA2 GLY A 31 -14.455 13.982 -17.405 1.00 1.00 H +ATOM 447 HA3 GLY A 31 -13.983 15.660 -17.216 1.00 1.00 H +ATOM 448 N SER A 32 -13.469 13.182 -15.276 1.00 1.00 N +ATOM 449 CA SER A 32 -12.760 12.699 -14.103 1.00 1.00 C +ATOM 450 C SER A 32 -11.733 11.641 -14.511 1.00 1.00 C +ATOM 451 O SER A 32 -12.068 10.681 -15.205 1.00 1.00 O +ATOM 452 CB SER A 32 -13.731 12.125 -13.069 1.00 1.00 C +ATOM 453 OG SER A 32 -13.987 10.740 -13.288 1.00 1.00 O +ATOM 454 H SER A 32 -13.737 12.473 -15.929 1.00 1.00 H +ATOM 455 HA SER A 32 -12.262 13.573 -13.686 1.00 1.00 H +ATOM 456 HB2 SER A 32 -13.321 12.263 -12.069 1.00 1.00 H +ATOM 457 HB3 SER A 32 -14.670 12.678 -13.108 1.00 1.00 H +ATOM 458 HG SER A 32 -13.911 10.528 -14.263 1.00 1.00 H +ATOM 459 N PHE A 33 -10.504 11.851 -14.064 1.00 1.00 N +ATOM 460 CA PHE A 33 -9.427 10.927 -14.375 1.00 1.00 C +ATOM 461 C PHE A 33 -9.076 10.066 -13.159 1.00 1.00 C +ATOM 462 O PHE A 33 -9.419 10.411 -12.030 1.00 1.00 O +ATOM 463 CB PHE A 33 -8.210 11.771 -14.756 1.00 1.00 C +ATOM 464 CG PHE A 33 -8.534 12.950 -15.676 1.00 1.00 C +ATOM 465 CD1 PHE A 33 -9.756 13.541 -15.619 1.00 1.00 C +ATOM 466 CD2 PHE A 33 -7.597 13.407 -16.551 1.00 1.00 C +ATOM 467 CE1 PHE A 33 -10.058 14.636 -16.473 1.00 1.00 C +ATOM 468 CE2 PHE A 33 -7.899 14.501 -17.404 1.00 1.00 C +ATOM 469 CZ PHE A 33 -9.121 15.093 -17.347 1.00 1.00 C +ATOM 470 H PHE A 33 -10.241 12.633 -13.501 1.00 1.00 H +ATOM 471 HA PHE A 33 -9.774 10.285 -15.184 1.00 1.00 H +ATOM 472 HB2 PHE A 33 -7.744 12.150 -13.846 1.00 1.00 H +ATOM 473 HB3 PHE A 33 -7.475 11.132 -15.247 1.00 1.00 H +ATOM 474 HD1 PHE A 33 -10.507 13.175 -14.918 1.00 1.00 H +ATOM 475 HD2 PHE A 33 -6.617 12.933 -16.596 1.00 1.00 H +ATOM 476 HE1 PHE A 33 -11.038 15.110 -16.427 1.00 1.00 H +ATOM 477 HE2 PHE A 33 -7.148 14.867 -18.105 1.00 1.00 H +ATOM 478 HZ PHE A 33 -9.352 15.932 -18.002 1.00 1.00 H +ATOM 479 N LEU A 34 -8.395 8.963 -13.433 1.00 1.00 N +ATOM 480 CA LEU A 34 -7.993 8.049 -12.376 1.00 1.00 C +ATOM 481 C LEU A 34 -6.722 7.312 -12.802 1.00 1.00 C +ATOM 482 O LEU A 34 -6.614 6.859 -13.941 1.00 1.00 O +ATOM 483 CB LEU A 34 -9.149 7.119 -12.004 1.00 1.00 C +ATOM 484 CG LEU A 34 -9.545 6.085 -13.059 1.00 1.00 C +ATOM 485 CD1 LEU A 34 -9.545 6.704 -14.459 1.00 1.00 C +ATOM 486 CD2 LEU A 34 -8.648 4.849 -12.979 1.00 1.00 C +ATOM 487 H LEU A 34 -8.119 8.690 -14.355 1.00 1.00 H +ATOM 488 HA LEU A 34 -7.765 8.650 -11.495 1.00 1.00 H +ATOM 489 HB2 LEU A 34 -8.883 6.591 -11.089 1.00 1.00 H +ATOM 490 HB3 LEU A 34 -10.023 7.731 -11.776 1.00 1.00 H +ATOM 491 HG LEU A 34 -10.564 5.759 -12.852 1.00 1.00 H +ATOM 492 HD11 LEU A 34 -9.987 7.699 -14.417 1.00 1.00 H +ATOM 493 HD12 LEU A 34 -8.520 6.777 -14.824 1.00 1.00 H +ATOM 494 HD13 LEU A 34 -10.126 6.076 -15.134 1.00 1.00 H +ATOM 495 HD21 LEU A 34 -8.735 4.400 -11.990 1.00 1.00 H +ATOM 496 HD22 LEU A 34 -8.959 4.125 -13.734 1.00 1.00 H +ATOM 497 HD23 LEU A 34 -7.612 5.138 -13.157 1.00 1.00 H +ATOM 498 N VAL A 35 -5.790 7.214 -11.864 1.00 1.00 N +ATOM 499 CA VAL A 35 -4.532 6.538 -12.128 1.00 1.00 C +ATOM 500 C VAL A 35 -4.715 5.032 -11.933 1.00 1.00 C +ATOM 501 O VAL A 35 -5.496 4.603 -11.085 1.00 1.00 O +ATOM 502 CB VAL A 35 -3.428 7.125 -11.245 1.00 1.00 C +ATOM 503 CG1 VAL A 35 -2.105 6.387 -11.457 1.00 1.00 C +ATOM 504 CG2 VAL A 35 -3.265 8.626 -11.496 1.00 1.00 C +ATOM 505 H VAL A 35 -5.886 7.585 -10.941 1.00 1.00 H +ATOM 506 HA VAL A 35 -4.269 6.728 -13.168 1.00 1.00 H +ATOM 507 HB VAL A 35 -3.724 6.991 -10.205 1.00 1.00 H +ATOM 508 HG11 VAL A 35 -2.287 5.312 -11.466 1.00 1.00 H +ATOM 509 HG12 VAL A 35 -1.669 6.689 -12.409 1.00 1.00 H +ATOM 510 HG13 VAL A 35 -1.418 6.633 -10.648 1.00 1.00 H +ATOM 511 HG21 VAL A 35 -4.036 8.964 -12.188 1.00 1.00 H +ATOM 512 HG22 VAL A 35 -3.361 9.164 -10.554 1.00 1.00 H +ATOM 513 HG23 VAL A 35 -2.282 8.818 -11.926 1.00 1.00 H +ATOM 514 N ARG A 36 -3.982 4.271 -12.732 1.00 1.00 N +ATOM 515 CA ARG A 36 -4.054 2.821 -12.658 1.00 1.00 C +ATOM 516 C ARG A 36 -2.708 2.245 -12.219 1.00 1.00 C +ATOM 517 O ARG A 36 -1.712 2.965 -12.150 1.00 1.00 O +ATOM 518 CB ARG A 36 -4.443 2.220 -14.010 1.00 1.00 C +ATOM 519 CG ARG A 36 -4.689 3.316 -15.048 1.00 1.00 C +ATOM 520 CD ARG A 36 -5.500 2.781 -16.229 1.00 1.00 C +ATOM 521 NE ARG A 36 -5.089 3.465 -17.476 1.00 1.00 N +ATOM 522 CZ ARG A 36 -4.263 2.933 -18.388 1.00 1.00 C +ATOM 523 NH1 ARG A 36 -3.756 1.708 -18.198 1.00 1.00 N +ATOM 524 NH2 ARG A 36 -3.947 3.627 -19.490 1.00 1.00 N +ATOM 525 H ARG A 36 -3.350 4.627 -13.419 1.00 1.00 H +ATOM 526 HA ARG A 36 -4.828 2.618 -11.917 1.00 1.00 H +ATOM 527 HB2 ARG A 36 -3.652 1.555 -14.357 1.00 1.00 H +ATOM 528 HB3 ARG A 36 -5.342 1.613 -13.897 1.00 1.00 H +ATOM 529 HG2 ARG A 36 -5.220 4.148 -14.585 1.00 1.00 H +ATOM 530 HG3 ARG A 36 -3.735 3.705 -15.403 1.00 1.00 H +ATOM 531 HD2 ARG A 36 -5.349 1.706 -16.328 1.00 1.00 H +ATOM 532 HD3 ARG A 36 -6.564 2.938 -16.053 1.00 1.00 H +ATOM 533 HE ARG A 36 -5.451 4.381 -17.650 1.00 1.00 H +ATOM 534 HH11 ARG A 36 -3.992 1.191 -17.375 1.00 1.00 H +ATOM 535 HH12 ARG A 36 -3.139 1.312 -18.878 1.00 1.00 H +ATOM 536 HH21 ARG A 36 -4.326 4.541 -19.632 1.00 1.00 H +ATOM 537 HH22 ARG A 36 -3.331 3.230 -20.170 1.00 1.00 H +ATOM 538 N GLU A 37 -2.718 0.951 -11.934 1.00 1.00 N +ATOM 539 CA GLU A 37 -1.509 0.269 -11.504 1.00 1.00 C +ATOM 540 C GLU A 37 -1.214 -0.918 -12.423 1.00 1.00 C +ATOM 541 O GLU A 37 -1.790 -1.030 -13.503 1.00 1.00 O +ATOM 542 CB GLU A 37 -1.623 -0.181 -10.046 1.00 1.00 C +ATOM 543 CG GLU A 37 -0.638 0.582 -9.157 1.00 1.00 C +ATOM 544 CD GLU A 37 0.543 -0.306 -8.761 1.00 1.00 C +ATOM 545 OE1 GLU A 37 0.321 -1.531 -8.651 1.00 1.00 O +ATOM 546 OE2 GLU A 37 1.642 0.262 -8.576 1.00 1.00 O +ATOM 547 H GLU A 37 -3.532 0.372 -11.993 1.00 1.00 H +ATOM 548 HA GLU A 37 -0.714 1.009 -11.588 1.00 1.00 H +ATOM 549 HB2 GLU A 37 -2.641 -0.019 -9.690 1.00 1.00 H +ATOM 550 HB3 GLU A 37 -1.427 -1.252 -9.975 1.00 1.00 H +ATOM 551 HG2 GLU A 37 -0.275 1.463 -9.685 1.00 1.00 H +ATOM 552 HG3 GLU A 37 -1.149 0.935 -8.262 1.00 1.00 H +ATOM 553 N SER A 38 -0.315 -1.774 -11.960 1.00 1.00 N +ATOM 554 CA SER A 38 0.065 -2.948 -12.726 1.00 1.00 C +ATOM 555 C SER A 38 -1.172 -3.570 -13.379 1.00 1.00 C +ATOM 556 O SER A 38 -2.187 -3.782 -12.718 1.00 1.00 O +ATOM 557 CB SER A 38 0.772 -3.979 -11.844 1.00 1.00 C +ATOM 558 OG SER A 38 0.308 -5.303 -12.092 1.00 1.00 O +ATOM 559 H SER A 38 0.149 -1.677 -11.080 1.00 1.00 H +ATOM 560 HA SER A 38 0.756 -2.586 -13.487 1.00 1.00 H +ATOM 561 HB2 SER A 38 1.847 -3.931 -12.022 1.00 1.00 H +ATOM 562 HB3 SER A 38 0.611 -3.729 -10.795 1.00 1.00 H +ATOM 563 HG SER A 38 0.564 -5.902 -11.333 1.00 1.00 H +ATOM 564 N GLU A 39 -1.047 -3.843 -14.670 1.00 1.00 N +ATOM 565 CA GLU A 39 -2.141 -4.435 -15.419 1.00 1.00 C +ATOM 566 C GLU A 39 -1.666 -5.694 -16.148 1.00 1.00 C +ATOM 567 O GLU A 39 -2.309 -6.739 -16.073 1.00 1.00 O +ATOM 568 CB GLU A 39 -2.744 -3.427 -16.399 1.00 1.00 C +ATOM 569 CG GLU A 39 -3.753 -4.103 -17.330 1.00 1.00 C +ATOM 570 CD GLU A 39 -3.361 -3.908 -18.797 1.00 1.00 C +ATOM 571 OE1 GLU A 39 -2.566 -4.738 -19.287 1.00 1.00 O +ATOM 572 OE2 GLU A 39 -3.865 -2.933 -19.394 1.00 1.00 O +ATOM 573 H GLU A 39 -0.218 -3.668 -15.200 1.00 1.00 H +ATOM 574 HA GLU A 39 -2.893 -4.701 -14.674 1.00 1.00 H +ATOM 575 HB2 GLU A 39 -3.234 -2.626 -15.847 1.00 1.00 H +ATOM 576 HB3 GLU A 39 -1.950 -2.968 -16.989 1.00 1.00 H +ATOM 577 HG2 GLU A 39 -3.806 -5.168 -17.103 1.00 1.00 H +ATOM 578 HG3 GLU A 39 -4.745 -3.689 -17.158 1.00 1.00 H +ATOM 579 N SER A 40 -0.544 -5.551 -16.838 1.00 1.00 N +ATOM 580 CA SER A 40 0.025 -6.662 -17.581 1.00 1.00 C +ATOM 581 C SER A 40 1.517 -6.791 -17.270 1.00 1.00 C +ATOM 582 O SER A 40 2.218 -7.588 -17.890 1.00 1.00 O +ATOM 583 CB SER A 40 -0.190 -6.486 -19.086 1.00 1.00 C +ATOM 584 OG SER A 40 0.503 -7.475 -19.843 1.00 1.00 O +ATOM 585 H SER A 40 -0.027 -4.696 -16.894 1.00 1.00 H +ATOM 586 HA SER A 40 -0.516 -7.544 -17.238 1.00 1.00 H +ATOM 587 HB2 SER A 40 -1.256 -6.539 -19.309 1.00 1.00 H +ATOM 588 HB3 SER A 40 0.150 -5.495 -19.387 1.00 1.00 H +ATOM 589 HG SER A 40 0.022 -8.350 -19.785 1.00 1.00 H +ATOM 590 N SER A 41 1.959 -5.994 -16.308 1.00 1.00 N +ATOM 591 CA SER A 41 3.355 -6.008 -15.906 1.00 1.00 C +ATOM 592 C SER A 41 3.462 -6.187 -14.390 1.00 1.00 C +ATOM 593 O SER A 41 2.590 -5.740 -13.646 1.00 1.00 O +ATOM 594 CB SER A 41 4.067 -4.726 -16.340 1.00 1.00 C +ATOM 595 OG SER A 41 5.052 -4.974 -17.339 1.00 1.00 O +ATOM 596 H SER A 41 1.382 -5.348 -15.807 1.00 1.00 H +ATOM 597 HA SER A 41 3.795 -6.860 -16.424 1.00 1.00 H +ATOM 598 HB2 SER A 41 3.334 -4.015 -16.722 1.00 1.00 H +ATOM 599 HB3 SER A 41 4.538 -4.261 -15.474 1.00 1.00 H +ATOM 600 HG SER A 41 5.652 -4.179 -17.433 1.00 1.00 H +ATOM 601 N PRO A 42 4.566 -6.859 -13.967 1.00 1.00 N +ATOM 602 CA PRO A 42 4.798 -7.103 -12.553 1.00 1.00 C +ATOM 603 C PRO A 42 5.260 -5.826 -11.845 1.00 1.00 C +ATOM 604 O PRO A 42 6.326 -5.804 -11.232 1.00 1.00 O +ATOM 605 CB PRO A 42 5.833 -8.214 -12.510 1.00 1.00 C +ATOM 606 CG PRO A 42 6.484 -8.230 -13.884 1.00 1.00 C +ATOM 607 CD PRO A 42 5.619 -7.402 -14.819 1.00 1.00 C +ATOM 608 HA PRO A 42 3.947 -7.371 -12.103 1.00 1.00 H +ATOM 609 HB2 PRO A 42 6.572 -8.029 -11.731 1.00 1.00 H +ATOM 610 HB3 PRO A 42 5.368 -9.174 -12.287 1.00 1.00 H +ATOM 611 HG2 PRO A 42 7.493 -7.821 -13.833 1.00 1.00 H +ATOM 612 HG3 PRO A 42 6.573 -9.253 -14.252 1.00 1.00 H +ATOM 613 HD2 PRO A 42 6.196 -6.607 -15.292 1.00 1.00 H +ATOM 614 HD3 PRO A 42 5.205 -8.013 -15.621 1.00 1.00 H +ATOM 615 N GLY A 43 4.434 -4.796 -11.954 1.00 1.00 N +ATOM 616 CA GLY A 43 4.744 -3.520 -11.332 1.00 1.00 C +ATOM 617 C GLY A 43 4.787 -2.399 -12.373 1.00 1.00 C +ATOM 618 O GLY A 43 5.863 -1.943 -12.755 1.00 1.00 O +ATOM 619 H GLY A 43 3.569 -4.823 -12.455 1.00 1.00 H +ATOM 620 HA2 GLY A 43 3.996 -3.289 -10.574 1.00 1.00 H +ATOM 621 HA3 GLY A 43 5.706 -3.584 -10.822 1.00 1.00 H +ATOM 622 N GLN A 44 3.603 -1.987 -12.800 1.00 1.00 N +ATOM 623 CA GLN A 44 3.490 -0.928 -13.789 1.00 1.00 C +ATOM 624 C GLN A 44 2.388 0.055 -13.390 1.00 1.00 C +ATOM 625 O GLN A 44 1.444 -0.314 -12.694 1.00 1.00 O +ATOM 626 CB GLN A 44 3.234 -1.504 -15.183 1.00 1.00 C +ATOM 627 CG GLN A 44 4.379 -1.159 -16.138 1.00 1.00 C +ATOM 628 CD GLN A 44 3.841 -0.633 -17.470 1.00 1.00 C +ATOM 629 OE1 GLN A 44 3.130 -1.310 -18.193 1.00 1.00 O +ATOM 630 NE2 GLN A 44 4.220 0.610 -17.754 1.00 1.00 N +ATOM 631 H GLN A 44 2.732 -2.363 -12.483 1.00 1.00 H +ATOM 632 HA GLN A 44 4.457 -0.423 -13.783 1.00 1.00 H +ATOM 633 HB2 GLN A 44 3.124 -2.586 -15.118 1.00 1.00 H +ATOM 634 HB3 GLN A 44 2.297 -1.110 -15.576 1.00 1.00 H +ATOM 635 HG2 GLN A 44 5.025 -0.409 -15.680 1.00 1.00 H +ATOM 636 HG3 GLN A 44 4.991 -2.043 -16.312 1.00 1.00 H +ATOM 637 HE21 GLN A 44 4.806 1.112 -17.117 1.00 1.00 H +ATOM 638 HE22 GLN A 44 3.920 1.043 -18.604 1.00 1.00 H +ATOM 639 N ARG A 45 2.546 1.289 -13.849 1.00 1.00 N +ATOM 640 CA ARG A 45 1.576 2.328 -13.549 1.00 1.00 C +ATOM 641 C ARG A 45 1.145 3.039 -14.834 1.00 1.00 C +ATOM 642 O ARG A 45 1.985 3.414 -15.651 1.00 1.00 O +ATOM 643 CB ARG A 45 2.153 3.357 -12.574 1.00 1.00 C +ATOM 644 CG ARG A 45 2.649 2.680 -11.295 1.00 1.00 C +ATOM 645 CD ARG A 45 4.105 2.232 -11.439 1.00 1.00 C +ATOM 646 NE ARG A 45 4.689 1.975 -10.104 1.00 1.00 N +ATOM 647 CZ ARG A 45 4.496 0.849 -9.404 1.00 1.00 C +ATOM 648 NH1 ARG A 45 3.731 -0.130 -9.907 1.00 1.00 N +ATOM 649 NH2 ARG A 45 5.066 0.702 -8.200 1.00 1.00 N +ATOM 650 H ARG A 45 3.317 1.581 -14.415 1.00 1.00 H +ATOM 651 HA ARG A 45 0.737 1.803 -13.091 1.00 1.00 H +ATOM 652 HB2 ARG A 45 2.976 3.891 -13.050 1.00 1.00 H +ATOM 653 HB3 ARG A 45 1.392 4.097 -12.328 1.00 1.00 H +ATOM 654 HG2 ARG A 45 2.558 3.371 -10.456 1.00 1.00 H +ATOM 655 HG3 ARG A 45 2.020 1.820 -11.067 1.00 1.00 H +ATOM 656 HD2 ARG A 45 4.157 1.331 -12.049 1.00 1.00 H +ATOM 657 HD3 ARG A 45 4.681 3.000 -11.956 1.00 1.00 H +ATOM 658 HE ARG A 45 5.265 2.685 -9.700 1.00 1.00 H +ATOM 659 HH11 ARG A 45 3.306 -0.020 -10.805 1.00 1.00 H +ATOM 660 HH12 ARG A 45 3.587 -0.971 -9.384 1.00 1.00 H +ATOM 661 HH21 ARG A 45 5.637 1.432 -7.825 1.00 1.00 H +ATOM 662 HH22 ARG A 45 4.922 -0.139 -7.678 1.00 1.00 H +ATOM 663 N SER A 46 -0.162 3.203 -14.972 1.00 1.00 N +ATOM 664 CA SER A 46 -0.714 3.862 -16.143 1.00 1.00 C +ATOM 665 C SER A 46 -1.677 4.970 -15.715 1.00 1.00 C +ATOM 666 O SER A 46 -1.937 5.147 -14.525 1.00 1.00 O +ATOM 667 CB SER A 46 -1.429 2.860 -17.054 1.00 1.00 C +ATOM 668 OG SER A 46 -0.510 2.020 -17.748 1.00 1.00 O +ATOM 669 H SER A 46 -0.838 2.894 -14.302 1.00 1.00 H +ATOM 670 HA SER A 46 0.143 4.282 -16.669 1.00 1.00 H +ATOM 671 HB2 SER A 46 -2.102 2.245 -16.458 1.00 1.00 H +ATOM 672 HB3 SER A 46 -2.043 3.400 -17.774 1.00 1.00 H +ATOM 673 HG SER A 46 -1.009 1.351 -18.299 1.00 1.00 H +ATOM 674 N ILE A 47 -2.182 5.689 -16.707 1.00 1.00 N +ATOM 675 CA ILE A 47 -3.110 6.776 -16.448 1.00 1.00 C +ATOM 676 C ILE A 47 -4.387 6.554 -17.262 1.00 1.00 C +ATOM 677 O ILE A 47 -4.330 6.366 -18.475 1.00 1.00 O +ATOM 678 CB ILE A 47 -2.441 8.126 -16.710 1.00 1.00 C +ATOM 679 CG1 ILE A 47 -1.848 8.704 -15.422 1.00 1.00 C +ATOM 680 CG2 ILE A 47 -3.413 9.099 -17.380 1.00 1.00 C +ATOM 681 CD1 ILE A 47 -2.877 8.686 -14.290 1.00 1.00 C +ATOM 682 H ILE A 47 -1.965 5.539 -17.672 1.00 1.00 H +ATOM 683 HA ILE A 47 -3.364 6.742 -15.389 1.00 1.00 H +ATOM 684 HB ILE A 47 -1.614 7.969 -17.403 1.00 1.00 H +ATOM 685 HG12 ILE A 47 -0.971 8.125 -15.131 1.00 1.00 H +ATOM 686 HG13 ILE A 47 -1.513 9.726 -15.599 1.00 1.00 H +ATOM 687 HG21 ILE A 47 -4.381 9.046 -16.883 1.00 1.00 H +ATOM 688 HG22 ILE A 47 -3.022 10.114 -17.304 1.00 1.00 H +ATOM 689 HG23 ILE A 47 -3.529 8.833 -18.430 1.00 1.00 H +ATOM 690 HD11 ILE A 47 -3.882 8.666 -14.712 1.00 1.00 H +ATOM 691 HD12 ILE A 47 -2.723 7.800 -13.673 1.00 1.00 H +ATOM 692 HD13 ILE A 47 -2.757 9.580 -13.678 1.00 1.00 H +ATOM 693 N SER A 48 -5.510 6.584 -16.559 1.00 1.00 N +ATOM 694 CA SER A 48 -6.800 6.389 -17.201 1.00 1.00 C +ATOM 695 C SER A 48 -7.630 7.670 -17.107 1.00 1.00 C +ATOM 696 O SER A 48 -7.698 8.294 -16.049 1.00 1.00 O +ATOM 697 CB SER A 48 -7.556 5.218 -16.571 1.00 1.00 C +ATOM 698 OG SER A 48 -7.105 4.940 -15.248 1.00 1.00 O +ATOM 699 H SER A 48 -5.548 6.737 -15.572 1.00 1.00 H +ATOM 700 HA SER A 48 -6.572 6.156 -18.241 1.00 1.00 H +ATOM 701 HB2 SER A 48 -8.622 5.446 -16.549 1.00 1.00 H +ATOM 702 HB3 SER A 48 -7.432 4.330 -17.191 1.00 1.00 H +ATOM 703 HG SER A 48 -6.867 5.792 -14.781 1.00 1.00 H +ATOM 704 N LEU A 49 -8.240 8.026 -18.227 1.00 1.00 N +ATOM 705 CA LEU A 49 -9.063 9.222 -18.285 1.00 1.00 C +ATOM 706 C LEU A 49 -10.491 8.835 -18.680 1.00 1.00 C +ATOM 707 O LEU A 49 -10.689 8.020 -19.580 1.00 1.00 O +ATOM 708 CB LEU A 49 -8.431 10.264 -19.208 1.00 1.00 C +ATOM 709 CG LEU A 49 -6.913 10.171 -19.384 1.00 1.00 C +ATOM 710 CD1 LEU A 49 -6.193 10.413 -18.056 1.00 1.00 C +ATOM 711 CD2 LEU A 49 -6.515 8.837 -20.017 1.00 1.00 C +ATOM 712 H LEU A 49 -8.180 7.513 -19.084 1.00 1.00 H +ATOM 713 HA LEU A 49 -9.087 9.650 -17.283 1.00 1.00 H +ATOM 714 HB2 LEU A 49 -8.895 10.182 -20.190 1.00 1.00 H +ATOM 715 HB3 LEU A 49 -8.672 11.255 -18.824 1.00 1.00 H +ATOM 716 HG LEU A 49 -6.600 10.959 -20.068 1.00 1.00 H +ATOM 717 HD11 LEU A 49 -6.609 11.297 -17.572 1.00 1.00 H +ATOM 718 HD12 LEU A 49 -6.324 9.548 -17.408 1.00 1.00 H +ATOM 719 HD13 LEU A 49 -5.130 10.568 -18.243 1.00 1.00 H +ATOM 720 HD21 LEU A 49 -7.368 8.422 -20.555 1.00 1.00 H +ATOM 721 HD22 LEU A 49 -5.690 8.996 -20.711 1.00 1.00 H +ATOM 722 HD23 LEU A 49 -6.204 8.142 -19.236 1.00 1.00 H +ATOM 723 N ARG A 50 -11.446 9.440 -17.990 1.00 1.00 N +ATOM 724 CA ARG A 50 -12.848 9.168 -18.259 1.00 1.00 C +ATOM 725 C ARG A 50 -13.558 10.446 -18.712 1.00 1.00 C +ATOM 726 O ARG A 50 -13.614 11.425 -17.971 1.00 1.00 O +ATOM 727 CB ARG A 50 -13.550 8.617 -17.016 1.00 1.00 C +ATOM 728 CG ARG A 50 -15.039 8.387 -17.284 1.00 1.00 C +ATOM 729 CD ARG A 50 -15.901 9.118 -16.253 1.00 1.00 C +ATOM 730 NE ARG A 50 -15.562 8.653 -14.890 1.00 1.00 N +ATOM 731 CZ ARG A 50 -16.470 8.296 -13.970 1.00 1.00 C +ATOM 732 NH1 ARG A 50 -17.776 8.349 -14.263 1.00 1.00 N +ATOM 733 NH2 ARG A 50 -16.071 7.886 -12.758 1.00 1.00 N +ATOM 734 H ARG A 50 -11.276 10.101 -17.260 1.00 1.00 H +ATOM 735 HA ARG A 50 -12.841 8.421 -19.052 1.00 1.00 H +ATOM 736 HB2 ARG A 50 -13.082 7.679 -16.715 1.00 1.00 H +ATOM 737 HB3 ARG A 50 -13.429 9.313 -16.187 1.00 1.00 H +ATOM 738 HG2 ARG A 50 -15.290 8.735 -18.286 1.00 1.00 H +ATOM 739 HG3 ARG A 50 -15.257 7.319 -17.254 1.00 1.00 H +ATOM 740 HD2 ARG A 50 -15.741 10.193 -16.329 1.00 1.00 H +ATOM 741 HD3 ARG A 50 -16.957 8.938 -16.455 1.00 1.00 H +ATOM 742 HE ARG A 50 -14.596 8.602 -14.638 1.00 1.00 H +ATOM 743 HH11 ARG A 50 -18.074 8.655 -15.167 1.00 1.00 H +ATOM 744 HH12 ARG A 50 -18.454 8.082 -13.578 1.00 1.00 H +ATOM 745 HH21 ARG A 50 -15.096 7.847 -12.540 1.00 1.00 H +ATOM 746 HH22 ARG A 50 -16.748 7.620 -12.073 1.00 1.00 H +ATOM 747 N TYR A 51 -14.083 10.393 -19.927 1.00 1.00 N +ATOM 748 CA TYR A 51 -14.787 11.534 -20.489 1.00 1.00 C +ATOM 749 C TYR A 51 -16.290 11.435 -20.222 1.00 1.00 C +ATOM 750 O TYR A 51 -16.716 10.766 -19.282 1.00 1.00 O +ATOM 751 CB TYR A 51 -14.543 11.480 -21.998 1.00 1.00 C +ATOM 752 CG TYR A 51 -13.771 12.680 -22.548 1.00 1.00 C +ATOM 753 CD1 TYR A 51 -14.409 13.894 -22.711 1.00 1.00 C +ATOM 754 CD2 TYR A 51 -12.438 12.551 -22.878 1.00 1.00 C +ATOM 755 CE1 TYR A 51 -13.682 15.025 -23.228 1.00 1.00 C +ATOM 756 CE2 TYR A 51 -11.711 13.682 -23.395 1.00 1.00 C +ATOM 757 CZ TYR A 51 -12.369 14.863 -23.545 1.00 1.00 C +ATOM 758 OH TYR A 51 -11.682 15.930 -24.034 1.00 1.00 O +ATOM 759 H TYR A 51 -14.033 9.592 -20.524 1.00 1.00 H +ATOM 760 HA TYR A 51 -14.400 12.435 -20.013 1.00 1.00 H +ATOM 761 HB2 TYR A 51 -13.993 10.569 -22.234 1.00 1.00 H +ATOM 762 HB3 TYR A 51 -15.503 11.414 -22.508 1.00 1.00 H +ATOM 763 HD1 TYR A 51 -15.461 13.996 -22.451 1.00 1.00 H +ATOM 764 HD2 TYR A 51 -11.934 11.594 -22.748 1.00 1.00 H +ATOM 765 HE1 TYR A 51 -14.173 15.988 -23.364 1.00 1.00 H +ATOM 766 HE2 TYR A 51 -10.658 13.593 -23.661 1.00 1.00 H +ATOM 767 HH TYR A 51 -11.039 16.267 -23.346 1.00 1.00 H +ATOM 768 N GLU A 52 -17.054 12.110 -21.069 1.00 1.00 N +ATOM 769 CA GLU A 52 -18.501 12.107 -20.938 1.00 1.00 C +ATOM 770 C GLU A 52 -19.071 10.759 -21.384 1.00 1.00 C +ATOM 771 O GLU A 52 -20.245 10.665 -21.740 1.00 1.00 O +ATOM 772 CB GLU A 52 -19.126 13.256 -21.731 1.00 1.00 C +ATOM 773 CG GLU A 52 -18.988 14.581 -20.978 1.00 1.00 C +ATOM 774 CD GLU A 52 -18.317 15.642 -21.853 1.00 1.00 C +ATOM 775 OE1 GLU A 52 -17.069 15.698 -21.820 1.00 1.00 O +ATOM 776 OE2 GLU A 52 -19.069 16.373 -22.535 1.00 1.00 O +ATOM 777 H GLU A 52 -16.700 12.652 -21.832 1.00 1.00 H +ATOM 778 HA GLU A 52 -18.696 12.258 -19.876 1.00 1.00 H +ATOM 779 HB2 GLU A 52 -18.644 13.336 -22.705 1.00 1.00 H +ATOM 780 HB3 GLU A 52 -20.180 13.046 -21.913 1.00 1.00 H +ATOM 781 HG2 GLU A 52 -19.972 14.930 -20.666 1.00 1.00 H +ATOM 782 HG3 GLU A 52 -18.402 14.429 -20.071 1.00 1.00 H +ATOM 783 N GLY A 53 -18.214 9.750 -21.351 1.00 1.00 N +ATOM 784 CA GLY A 53 -18.618 8.412 -21.748 1.00 1.00 C +ATOM 785 C GLY A 53 -17.442 7.641 -22.353 1.00 1.00 C +ATOM 786 O GLY A 53 -17.471 6.413 -22.425 1.00 1.00 O +ATOM 787 H GLY A 53 -17.260 9.835 -21.060 1.00 1.00 H +ATOM 788 HA2 GLY A 53 -19.002 7.873 -20.882 1.00 1.00 H +ATOM 789 HA3 GLY A 53 -19.429 8.473 -22.472 1.00 1.00 H +ATOM 790 N ARG A 54 -16.437 8.394 -22.774 1.00 1.00 N +ATOM 791 CA ARG A 54 -15.254 7.798 -23.371 1.00 1.00 C +ATOM 792 C ARG A 54 -14.211 7.495 -22.294 1.00 1.00 C +ATOM 793 O ARG A 54 -14.222 8.103 -21.225 1.00 1.00 O +ATOM 794 CB ARG A 54 -14.640 8.726 -24.421 1.00 1.00 C +ATOM 795 CG ARG A 54 -15.065 8.315 -25.832 1.00 1.00 C +ATOM 796 CD ARG A 54 -13.855 8.209 -26.762 1.00 1.00 C +ATOM 797 NE ARG A 54 -14.304 8.046 -28.162 1.00 1.00 N +ATOM 798 CZ ARG A 54 -14.862 9.021 -28.891 1.00 1.00 C +ATOM 799 NH1 ARG A 54 -15.043 10.237 -28.357 1.00 1.00 N +ATOM 800 NH2 ARG A 54 -15.239 8.781 -30.155 1.00 1.00 N +ATOM 801 H ARG A 54 -16.421 9.392 -22.712 1.00 1.00 H +ATOM 802 HA ARG A 54 -15.611 6.880 -23.840 1.00 1.00 H +ATOM 803 HB2 ARG A 54 -14.948 9.753 -24.229 1.00 1.00 H +ATOM 804 HB3 ARG A 54 -13.553 8.699 -24.343 1.00 1.00 H +ATOM 805 HG2 ARG A 54 -15.585 7.358 -25.795 1.00 1.00 H +ATOM 806 HG3 ARG A 54 -15.771 9.045 -26.229 1.00 1.00 H +ATOM 807 HD2 ARG A 54 -13.238 9.104 -26.672 1.00 1.00 H +ATOM 808 HD3 ARG A 54 -13.234 7.363 -26.469 1.00 1.00 H +ATOM 809 HE ARG A 54 -14.184 7.150 -28.591 1.00 1.00 H +ATOM 810 HH11 ARG A 54 -14.761 10.416 -27.415 1.00 1.00 H +ATOM 811 HH12 ARG A 54 -15.459 10.965 -28.902 1.00 1.00 H +ATOM 812 HH21 ARG A 54 -15.105 7.874 -30.553 1.00 1.00 H +ATOM 813 HH22 ARG A 54 -15.656 9.510 -30.699 1.00 1.00 H +ATOM 814 N VAL A 55 -13.332 6.556 -22.614 1.00 1.00 N +ATOM 815 CA VAL A 55 -12.284 6.166 -21.686 1.00 1.00 C +ATOM 816 C VAL A 55 -10.960 6.040 -22.444 1.00 1.00 C +ATOM 817 O VAL A 55 -10.806 5.162 -23.291 1.00 1.00 O +ATOM 818 CB VAL A 55 -12.681 4.879 -20.959 1.00 1.00 C +ATOM 819 CG1 VAL A 55 -11.885 4.715 -19.662 1.00 1.00 C +ATOM 820 CG2 VAL A 55 -14.186 4.845 -20.687 1.00 1.00 C +ATOM 821 H VAL A 55 -13.329 6.066 -23.486 1.00 1.00 H +ATOM 822 HA VAL A 55 -12.189 6.958 -20.943 1.00 1.00 H +ATOM 823 HB VAL A 55 -12.439 4.039 -21.610 1.00 1.00 H +ATOM 824 HG11 VAL A 55 -11.040 5.404 -19.664 1.00 1.00 H +ATOM 825 HG12 VAL A 55 -12.529 4.932 -18.811 1.00 1.00 H +ATOM 826 HG13 VAL A 55 -11.518 3.690 -19.589 1.00 1.00 H +ATOM 827 HG21 VAL A 55 -14.566 5.865 -20.622 1.00 1.00 H +ATOM 828 HG22 VAL A 55 -14.690 4.320 -21.498 1.00 1.00 H +ATOM 829 HG23 VAL A 55 -14.374 4.327 -19.747 1.00 1.00 H +ATOM 830 N TYR A 56 -10.038 6.931 -22.111 1.00 1.00 N +ATOM 831 CA TYR A 56 -8.732 6.931 -22.749 1.00 1.00 C +ATOM 832 C TYR A 56 -7.694 6.227 -21.872 1.00 1.00 C +ATOM 833 O TYR A 56 -7.857 6.142 -20.656 1.00 1.00 O +ATOM 834 CB TYR A 56 -8.338 8.401 -22.904 1.00 1.00 C +ATOM 835 CG TYR A 56 -8.987 9.096 -24.103 1.00 1.00 C +ATOM 836 CD1 TYR A 56 -10.241 9.661 -23.978 1.00 1.00 C +ATOM 837 CD2 TYR A 56 -8.320 9.157 -25.310 1.00 1.00 C +ATOM 838 CE1 TYR A 56 -10.851 10.314 -25.107 1.00 1.00 C +ATOM 839 CE2 TYR A 56 -8.931 9.811 -26.438 1.00 1.00 C +ATOM 840 CZ TYR A 56 -10.165 10.357 -26.281 1.00 1.00 C +ATOM 841 OH TYR A 56 -10.742 10.974 -27.347 1.00 1.00 O +ATOM 842 H TYR A 56 -10.170 7.642 -21.421 1.00 1.00 H +ATOM 843 HA TYR A 56 -8.821 6.397 -23.695 1.00 1.00 H +ATOM 844 HB2 TYR A 56 -8.612 8.938 -21.996 1.00 1.00 H +ATOM 845 HB3 TYR A 56 -7.255 8.469 -23.001 1.00 1.00 H +ATOM 846 HD1 TYR A 56 -10.767 9.613 -23.026 1.00 1.00 H +ATOM 847 HD2 TYR A 56 -7.330 8.710 -25.408 1.00 1.00 H +ATOM 848 HE1 TYR A 56 -11.840 10.765 -25.022 1.00 1.00 H +ATOM 849 HE2 TYR A 56 -8.414 9.866 -27.396 1.00 1.00 H +ATOM 850 HH TYR A 56 -10.174 10.854 -28.161 1.00 1.00 H +ATOM 851 N HIS A 57 -6.648 5.741 -22.525 1.00 1.00 N +ATOM 852 CA HIS A 57 -5.583 5.047 -21.820 1.00 1.00 C +ATOM 853 C HIS A 57 -4.240 5.704 -22.146 1.00 1.00 C +ATOM 854 O HIS A 57 -3.771 5.639 -23.281 1.00 1.00 O +ATOM 855 CB HIS A 57 -5.604 3.551 -22.142 1.00 1.00 C +ATOM 856 CG HIS A 57 -6.963 2.910 -21.990 1.00 1.00 C +ATOM 857 ND1 HIS A 57 -7.452 2.468 -20.773 1.00 1.00 N +ATOM 858 CD2 HIS A 57 -7.930 2.640 -22.914 1.00 1.00 C +ATOM 859 CE1 HIS A 57 -8.660 1.958 -20.969 1.00 1.00 C +ATOM 860 NE2 HIS A 57 -8.953 2.065 -22.296 1.00 1.00 N +ATOM 861 H HIS A 57 -6.523 5.814 -23.514 1.00 1.00 H +ATOM 862 HA HIS A 57 -5.786 5.162 -20.756 1.00 1.00 H +ATOM 863 HB2 HIS A 57 -5.256 3.404 -23.164 1.00 1.00 H +ATOM 864 HB3 HIS A 57 -4.898 3.040 -21.488 1.00 1.00 H +ATOM 865 HD1 HIS A 57 -6.976 2.525 -19.896 1.00 1.00 H +ATOM 866 HD2 HIS A 57 -7.871 2.861 -23.980 1.00 1.00 H +ATOM 867 HE1 HIS A 57 -9.304 1.528 -20.202 1.00 1.00 H +ATOM 868 N TYR A 58 -3.659 6.322 -21.128 1.00 1.00 N +ATOM 869 CA TYR A 58 -2.379 6.992 -21.291 1.00 1.00 C +ATOM 870 C TYR A 58 -1.389 6.549 -20.212 1.00 1.00 C +ATOM 871 O TYR A 58 -1.273 7.192 -19.170 1.00 1.00 O +ATOM 872 CB TYR A 58 -2.661 8.486 -21.126 1.00 1.00 C +ATOM 873 CG TYR A 58 -2.385 9.314 -22.383 1.00 1.00 C +ATOM 874 CD1 TYR A 58 -1.103 9.746 -22.656 1.00 1.00 C +ATOM 875 CD2 TYR A 58 -3.417 9.627 -23.243 1.00 1.00 C +ATOM 876 CE1 TYR A 58 -0.843 10.525 -23.839 1.00 1.00 C +ATOM 877 CE2 TYR A 58 -3.158 10.406 -24.426 1.00 1.00 C +ATOM 878 CZ TYR A 58 -1.883 10.816 -24.666 1.00 1.00 C +ATOM 879 OH TYR A 58 -1.638 11.552 -25.783 1.00 1.00 O +ATOM 880 H TYR A 58 -4.048 6.372 -20.208 1.00 1.00 H +ATOM 881 HA TYR A 58 -1.982 6.724 -22.270 1.00 1.00 H +ATOM 882 HB2 TYR A 58 -3.704 8.619 -20.838 1.00 1.00 H +ATOM 883 HB3 TYR A 58 -2.052 8.872 -20.308 1.00 1.00 H +ATOM 884 HD1 TYR A 58 -0.287 9.498 -21.977 1.00 1.00 H +ATOM 885 HD2 TYR A 58 -4.430 9.285 -23.028 1.00 1.00 H +ATOM 886 HE1 TYR A 58 0.164 10.874 -24.067 1.00 1.00 H +ATOM 887 HE2 TYR A 58 -3.963 10.661 -25.114 1.00 1.00 H +ATOM 888 HH TYR A 58 -1.781 10.992 -26.599 1.00 1.00 H +ATOM 889 N ARG A 59 -0.700 5.454 -20.499 1.00 1.00 N +ATOM 890 CA ARG A 59 0.277 4.918 -19.568 1.00 1.00 C +ATOM 891 C ARG A 59 1.103 6.051 -18.954 1.00 1.00 C +ATOM 892 O ARG A 59 1.104 7.170 -19.466 1.00 1.00 O +ATOM 893 CB ARG A 59 1.216 3.930 -20.261 1.00 1.00 C +ATOM 894 CG ARG A 59 1.321 4.231 -21.758 1.00 1.00 C +ATOM 895 CD ARG A 59 2.674 3.784 -22.313 1.00 1.00 C +ATOM 896 NE ARG A 59 2.480 2.732 -23.335 1.00 1.00 N +ATOM 897 CZ ARG A 59 2.053 2.966 -24.584 1.00 1.00 C +ATOM 898 NH1 ARG A 59 1.774 4.218 -24.972 1.00 1.00 N +ATOM 899 NH2 ARG A 59 1.906 1.949 -25.444 1.00 1.00 N +ATOM 900 H ARG A 59 -0.800 4.937 -21.350 1.00 1.00 H +ATOM 901 HA ARG A 59 -0.314 4.408 -18.807 1.00 1.00 H +ATOM 902 HB2 ARG A 59 2.205 3.981 -19.806 1.00 1.00 H +ATOM 903 HB3 ARG A 59 0.851 2.913 -20.117 1.00 1.00 H +ATOM 904 HG2 ARG A 59 0.519 3.723 -22.292 1.00 1.00 H +ATOM 905 HG3 ARG A 59 1.189 5.300 -21.927 1.00 1.00 H +ATOM 906 HD2 ARG A 59 3.197 4.636 -22.751 1.00 1.00 H +ATOM 907 HD3 ARG A 59 3.302 3.407 -21.506 1.00 1.00 H +ATOM 908 HE ARG A 59 2.680 1.786 -23.078 1.00 1.00 H +ATOM 909 HH11 ARG A 59 1.885 4.977 -24.330 1.00 1.00 H +ATOM 910 HH12 ARG A 59 1.455 4.393 -25.903 1.00 1.00 H +ATOM 911 HH21 ARG A 59 2.113 1.015 -25.154 1.00 1.00 H +ATOM 912 HH22 ARG A 59 1.586 2.124 -26.375 1.00 1.00 H +ATOM 913 N ILE A 60 1.786 5.722 -17.868 1.00 1.00 N +ATOM 914 CA ILE A 60 2.614 6.698 -17.179 1.00 1.00 C +ATOM 915 C ILE A 60 3.788 7.088 -18.078 1.00 1.00 C +ATOM 916 O ILE A 60 4.088 8.270 -18.238 1.00 1.00 O +ATOM 917 CB ILE A 60 3.037 6.169 -15.808 1.00 1.00 C +ATOM 918 CG1 ILE A 60 1.830 6.023 -14.879 1.00 1.00 C +ATOM 919 CG2 ILE A 60 4.130 7.048 -15.195 1.00 1.00 C +ATOM 920 CD1 ILE A 60 1.393 7.382 -14.330 1.00 1.00 C +ATOM 921 H ILE A 60 1.779 4.810 -17.458 1.00 1.00 H +ATOM 922 HA ILE A 60 2.001 7.583 -17.009 1.00 1.00 H +ATOM 923 HB ILE A 60 3.463 5.175 -15.942 1.00 1.00 H +ATOM 924 HG12 ILE A 60 1.004 5.563 -15.422 1.00 1.00 H +ATOM 925 HG13 ILE A 60 2.080 5.356 -14.055 1.00 1.00 H +ATOM 926 HG21 ILE A 60 3.833 8.095 -15.263 1.00 1.00 H +ATOM 927 HG22 ILE A 60 4.269 6.777 -14.149 1.00 1.00 H +ATOM 928 HG23 ILE A 60 5.062 6.899 -15.737 1.00 1.00 H +ATOM 929 HD11 ILE A 60 1.428 8.124 -15.128 1.00 1.00 H +ATOM 930 HD12 ILE A 60 0.375 7.309 -13.947 1.00 1.00 H +ATOM 931 HD13 ILE A 60 2.064 7.682 -13.526 1.00 1.00 H +ATOM 932 N ASN A 61 4.422 6.071 -18.643 1.00 1.00 N +ATOM 933 CA ASN A 61 5.558 6.291 -19.523 1.00 1.00 C +ATOM 934 C ASN A 61 6.760 6.748 -18.692 1.00 1.00 C +ATOM 935 O ASN A 61 6.676 7.737 -17.966 1.00 1.00 O +ATOM 936 CB ASN A 61 5.254 7.381 -20.553 1.00 1.00 C +ATOM 937 CG ASN A 61 6.393 7.513 -21.565 1.00 1.00 C +ATOM 938 OD1 ASN A 61 7.500 7.042 -21.357 1.00 1.00 O +ATOM 939 ND2 ASN A 61 6.063 8.177 -22.669 1.00 1.00 N +ATOM 940 H ASN A 61 4.172 5.111 -18.510 1.00 1.00 H +ATOM 941 HA ASN A 61 5.731 5.333 -20.014 1.00 1.00 H +ATOM 942 HB2 ASN A 61 4.325 7.145 -21.073 1.00 1.00 H +ATOM 943 HB3 ASN A 61 5.102 8.334 -20.045 1.00 1.00 H +ATOM 944 HD21 ASN A 61 5.136 8.537 -22.777 1.00 1.00 H +ATOM 945 HD22 ASN A 61 6.740 8.315 -23.391 1.00 1.00 H +ATOM 946 N THR A 62 7.848 6.006 -18.827 1.00 1.00 N +ATOM 947 CA THR A 62 9.065 6.322 -18.098 1.00 1.00 C +ATOM 948 C THR A 62 10.137 6.848 -19.054 1.00 1.00 C +ATOM 949 O THR A 62 10.081 6.596 -20.256 1.00 1.00 O +ATOM 950 CB THR A 62 9.495 5.070 -17.331 1.00 1.00 C +ATOM 951 OG1 THR A 62 8.275 4.532 -16.830 1.00 1.00 O +ATOM 952 CG2 THR A 62 10.300 5.402 -16.073 1.00 1.00 C +ATOM 953 H THR A 62 7.907 5.202 -19.420 1.00 1.00 H +ATOM 954 HA THR A 62 8.844 7.123 -17.393 1.00 1.00 H +ATOM 955 HB THR A 62 10.048 4.388 -17.977 1.00 1.00 H +ATOM 956 HG1 THR A 62 7.801 5.217 -16.277 1.00 1.00 H +ATOM 957 HG21 THR A 62 10.664 6.428 -16.134 1.00 1.00 H +ATOM 958 HG22 THR A 62 9.662 5.295 -15.195 1.00 1.00 H +ATOM 959 HG23 THR A 62 11.147 4.720 -15.992 1.00 1.00 H +ATOM 960 N ALA A 63 11.090 7.570 -18.482 1.00 1.00 N +ATOM 961 CA ALA A 63 12.174 8.135 -19.268 1.00 1.00 C +ATOM 962 C ALA A 63 13.329 7.132 -19.330 1.00 1.00 C +ATOM 963 O ALA A 63 13.177 5.980 -18.926 1.00 1.00 O +ATOM 964 CB ALA A 63 12.598 9.474 -18.664 1.00 1.00 C +ATOM 965 H ALA A 63 11.129 7.771 -17.504 1.00 1.00 H +ATOM 966 HA ALA A 63 11.799 8.306 -20.276 1.00 1.00 H +ATOM 967 HB1 ALA A 63 11.750 9.927 -18.151 1.00 1.00 H +ATOM 968 HB2 ALA A 63 13.409 9.313 -17.954 1.00 1.00 H +ATOM 969 HB3 ALA A 63 12.940 10.139 -19.459 1.00 1.00 H +ATOM 970 N SER A 64 14.455 7.606 -19.842 1.00 1.00 N +ATOM 971 CA SER A 64 15.634 6.765 -19.963 1.00 1.00 C +ATOM 972 C SER A 64 16.500 6.894 -18.707 1.00 1.00 C +ATOM 973 O SER A 64 17.725 6.833 -18.785 1.00 1.00 O +ATOM 974 CB SER A 64 16.446 7.132 -21.207 1.00 1.00 C +ATOM 975 OG SER A 64 16.642 8.538 -21.321 1.00 1.00 O +ATOM 976 H SER A 64 14.569 8.544 -20.169 1.00 1.00 H +ATOM 977 HA SER A 64 15.255 5.749 -20.064 1.00 1.00 H +ATOM 978 HB2 SER A 64 17.414 6.632 -21.168 1.00 1.00 H +ATOM 979 HB3 SER A 64 15.934 6.764 -22.095 1.00 1.00 H +ATOM 980 HG SER A 64 16.593 8.965 -20.418 1.00 1.00 H +ATOM 981 N ASP A 65 15.827 7.070 -17.579 1.00 1.00 N +ATOM 982 CA ASP A 65 16.519 7.207 -16.309 1.00 1.00 C +ATOM 983 C ASP A 65 15.633 6.659 -15.189 1.00 1.00 C +ATOM 984 O ASP A 65 16.053 5.787 -14.431 1.00 1.00 O +ATOM 985 CB ASP A 65 16.818 8.675 -16.001 1.00 1.00 C +ATOM 986 CG ASP A 65 17.076 8.986 -14.525 1.00 1.00 C +ATOM 987 OD1 ASP A 65 18.159 8.590 -14.042 1.00 1.00 O +ATOM 988 OD2 ASP A 65 16.184 9.614 -13.914 1.00 1.00 O +ATOM 989 H ASP A 65 14.829 7.118 -17.525 1.00 1.00 H +ATOM 990 HA ASP A 65 17.443 6.641 -16.424 1.00 1.00 H +ATOM 991 HB2 ASP A 65 17.689 8.983 -16.579 1.00 1.00 H +ATOM 992 HB3 ASP A 65 15.979 9.281 -16.343 1.00 1.00 H +ATOM 993 N GLY A 66 14.422 7.193 -15.120 1.00 1.00 N +ATOM 994 CA GLY A 66 13.473 6.769 -14.105 1.00 1.00 C +ATOM 995 C GLY A 66 12.241 7.675 -14.095 1.00 1.00 C +ATOM 996 O GLY A 66 11.117 7.198 -13.936 1.00 1.00 O +ATOM 997 H GLY A 66 14.088 7.903 -15.741 1.00 1.00 H +ATOM 998 HA2 GLY A 66 13.171 5.739 -14.293 1.00 1.00 H +ATOM 999 HA3 GLY A 66 13.951 6.788 -13.125 1.00 1.00 H +ATOM 1000 N LYS A 67 12.491 8.964 -14.266 1.00 1.00 N +ATOM 1001 CA LYS A 67 11.415 9.941 -14.279 1.00 1.00 C +ATOM 1002 C LYS A 67 10.252 9.402 -15.116 1.00 1.00 C +ATOM 1003 O LYS A 67 10.458 8.602 -16.028 1.00 1.00 O +ATOM 1004 CB LYS A 67 11.932 11.302 -14.748 1.00 1.00 C +ATOM 1005 CG LYS A 67 12.988 11.139 -15.844 1.00 1.00 C +ATOM 1006 CD LYS A 67 14.362 11.600 -15.355 1.00 1.00 C +ATOM 1007 CE LYS A 67 14.862 12.794 -16.170 1.00 1.00 C +ATOM 1008 NZ LYS A 67 15.516 12.334 -17.416 1.00 1.00 N +ATOM 1009 H LYS A 67 13.408 9.344 -14.394 1.00 1.00 H +ATOM 1010 HA LYS A 67 11.073 10.064 -13.251 1.00 1.00 H +ATOM 1011 HB2 LYS A 67 11.102 11.901 -15.124 1.00 1.00 H +ATOM 1012 HB3 LYS A 67 12.359 11.844 -13.905 1.00 1.00 H +ATOM 1013 HG2 LYS A 67 13.039 10.095 -16.152 1.00 1.00 H +ATOM 1014 HG3 LYS A 67 12.698 11.716 -16.723 1.00 1.00 H +ATOM 1015 HD2 LYS A 67 14.304 11.873 -14.301 1.00 1.00 H +ATOM 1016 HD3 LYS A 67 15.074 10.779 -15.432 1.00 1.00 H +ATOM 1017 HE2 LYS A 67 14.027 13.453 -16.411 1.00 1.00 H +ATOM 1018 HE3 LYS A 67 15.567 13.378 -15.577 1.00 1.00 H +ATOM 1019 HZ1 LYS A 67 15.207 11.408 -17.632 1.00 1.00 H +ATOM 1020 HZ2 LYS A 67 15.272 12.949 -18.166 1.00 1.00 H +ATOM 1021 HZ3 LYS A 67 16.508 12.335 -17.292 1.00 1.00 H +ATOM 1022 N LEU A 68 9.058 9.862 -14.775 1.00 1.00 N +ATOM 1023 CA LEU A 68 7.862 9.436 -15.483 1.00 1.00 C +ATOM 1024 C LEU A 68 7.406 10.554 -16.423 1.00 1.00 C +ATOM 1025 O LEU A 68 6.817 11.539 -15.981 1.00 1.00 O +ATOM 1026 CB LEU A 68 6.785 8.986 -14.494 1.00 1.00 C +ATOM 1027 CG LEU A 68 7.242 8.019 -13.400 1.00 1.00 C +ATOM 1028 CD1 LEU A 68 6.335 8.115 -12.171 1.00 1.00 C +ATOM 1029 CD2 LEU A 68 7.334 6.589 -13.934 1.00 1.00 C +ATOM 1030 H LEU A 68 8.899 10.512 -14.031 1.00 1.00 H +ATOM 1031 HA LEU A 68 8.131 8.567 -16.084 1.00 1.00 H +ATOM 1032 HB2 LEU A 68 6.365 9.871 -14.018 1.00 1.00 H +ATOM 1033 HB3 LEU A 68 5.980 8.513 -15.055 1.00 1.00 H +ATOM 1034 HG LEU A 68 8.244 8.310 -13.083 1.00 1.00 H +ATOM 1035 HD11 LEU A 68 5.903 9.115 -12.115 1.00 1.00 H +ATOM 1036 HD12 LEU A 68 5.535 7.378 -12.251 1.00 1.00 H +ATOM 1037 HD13 LEU A 68 6.919 7.920 -11.272 1.00 1.00 H +ATOM 1038 HD21 LEU A 68 6.877 6.541 -14.923 1.00 1.00 H +ATOM 1039 HD22 LEU A 68 8.380 6.292 -14.003 1.00 1.00 H +ATOM 1040 HD23 LEU A 68 6.808 5.915 -13.258 1.00 1.00 H +ATOM 1041 N TYR A 69 7.696 10.364 -17.701 1.00 1.00 N +ATOM 1042 CA TYR A 69 7.324 11.344 -18.707 1.00 1.00 C +ATOM 1043 C TYR A 69 6.294 10.766 -19.681 1.00 1.00 C +ATOM 1044 O TYR A 69 6.551 9.756 -20.335 1.00 1.00 O +ATOM 1045 CB TYR A 69 8.606 11.671 -19.474 1.00 1.00 C +ATOM 1046 CG TYR A 69 8.828 10.802 -20.714 1.00 1.00 C +ATOM 1047 CD1 TYR A 69 8.048 10.992 -21.837 1.00 1.00 C +ATOM 1048 CD2 TYR A 69 9.807 9.829 -20.709 1.00 1.00 C +ATOM 1049 CE1 TYR A 69 8.257 10.174 -23.005 1.00 1.00 C +ATOM 1050 CE2 TYR A 69 10.015 9.012 -21.877 1.00 1.00 C +ATOM 1051 CZ TYR A 69 9.230 9.225 -22.967 1.00 1.00 C +ATOM 1052 OH TYR A 69 9.427 8.453 -24.069 1.00 1.00 O +ATOM 1053 H TYR A 69 8.176 9.560 -18.053 1.00 1.00 H +ATOM 1054 HA TYR A 69 6.887 12.201 -18.196 1.00 1.00 H +ATOM 1055 HB2 TYR A 69 8.580 12.718 -19.777 1.00 1.00 H +ATOM 1056 HB3 TYR A 69 9.457 11.553 -18.805 1.00 1.00 H +ATOM 1057 HD1 TYR A 69 7.276 11.760 -21.841 1.00 1.00 H +ATOM 1058 HD2 TYR A 69 10.421 9.679 -19.823 1.00 1.00 H +ATOM 1059 HE1 TYR A 69 7.649 10.314 -23.899 1.00 1.00 H +ATOM 1060 HE2 TYR A 69 10.784 8.239 -21.887 1.00 1.00 H +ATOM 1061 HH TYR A 69 8.930 7.590 -23.975 1.00 1.00 H +ATOM 1062 N VAL A 70 5.150 11.431 -19.746 1.00 1.00 N +ATOM 1063 CA VAL A 70 4.081 10.997 -20.629 1.00 1.00 C +ATOM 1064 C VAL A 70 4.419 11.397 -22.067 1.00 1.00 C +ATOM 1065 O VAL A 70 4.293 10.588 -22.985 1.00 1.00 O +ATOM 1066 CB VAL A 70 2.743 11.563 -20.149 1.00 1.00 C +ATOM 1067 CG1 VAL A 70 1.630 11.268 -21.156 1.00 1.00 C +ATOM 1068 CG2 VAL A 70 2.385 11.025 -18.762 1.00 1.00 C +ATOM 1069 H VAL A 70 4.949 12.252 -19.211 1.00 1.00 H +ATOM 1070 HA VAL A 70 4.028 9.910 -20.570 1.00 1.00 H +ATOM 1071 HB VAL A 70 2.847 12.646 -20.071 1.00 1.00 H +ATOM 1072 HG11 VAL A 70 1.668 10.217 -21.442 1.00 1.00 H +ATOM 1073 HG12 VAL A 70 0.663 11.487 -20.703 1.00 1.00 H +ATOM 1074 HG13 VAL A 70 1.766 11.891 -22.041 1.00 1.00 H +ATOM 1075 HG21 VAL A 70 2.831 10.038 -18.630 1.00 1.00 H +ATOM 1076 HG22 VAL A 70 2.769 11.702 -17.999 1.00 1.00 H +ATOM 1077 HG23 VAL A 70 1.302 10.950 -18.670 1.00 1.00 H +ATOM 1078 N SER A 71 4.840 12.644 -22.217 1.00 1.00 N +ATOM 1079 CA SER A 71 5.196 13.160 -23.528 1.00 1.00 C +ATOM 1080 C SER A 71 6.702 13.011 -23.757 1.00 1.00 C +ATOM 1081 O SER A 71 7.128 12.217 -24.595 1.00 1.00 O +ATOM 1082 CB SER A 71 4.781 14.626 -23.673 1.00 1.00 C +ATOM 1083 OG SER A 71 5.261 15.199 -24.886 1.00 1.00 O +ATOM 1084 H SER A 71 4.939 13.295 -21.465 1.00 1.00 H +ATOM 1085 HA SER A 71 4.637 12.553 -24.239 1.00 1.00 H +ATOM 1086 HB2 SER A 71 3.694 14.699 -23.643 1.00 1.00 H +ATOM 1087 HB3 SER A 71 5.161 15.197 -22.826 1.00 1.00 H +ATOM 1088 HG SER A 71 5.114 16.188 -24.879 1.00 1.00 H +ATOM 1089 N SER A 72 7.464 13.785 -23.000 1.00 1.00 N +ATOM 1090 CA SER A 72 8.912 13.747 -23.111 1.00 1.00 C +ATOM 1091 C SER A 72 9.506 15.082 -22.657 1.00 1.00 C +ATOM 1092 O SER A 72 10.648 15.135 -22.202 1.00 1.00 O +ATOM 1093 CB SER A 72 9.347 13.433 -24.544 1.00 1.00 C +ATOM 1094 OG SER A 72 9.635 12.049 -24.723 1.00 1.00 O +ATOM 1095 H SER A 72 7.108 14.427 -22.320 1.00 1.00 H +ATOM 1096 HA SER A 72 9.232 12.942 -22.450 1.00 1.00 H +ATOM 1097 HB2 SER A 72 8.559 13.731 -25.235 1.00 1.00 H +ATOM 1098 HB3 SER A 72 10.229 14.022 -24.792 1.00 1.00 H +ATOM 1099 HG SER A 72 10.622 11.896 -24.674 1.00 1.00 H +ATOM 1100 N GLU A 73 8.705 16.128 -22.796 1.00 1.00 N +ATOM 1101 CA GLU A 73 9.137 17.459 -22.406 1.00 1.00 C +ATOM 1102 C GLU A 73 8.636 17.788 -20.998 1.00 1.00 C +ATOM 1103 O GLU A 73 8.965 18.839 -20.448 1.00 1.00 O +ATOM 1104 CB GLU A 73 8.663 18.507 -23.415 1.00 1.00 C +ATOM 1105 CG GLU A 73 7.487 17.982 -24.240 1.00 1.00 C +ATOM 1106 CD GLU A 73 6.938 19.068 -25.168 1.00 1.00 C +ATOM 1107 OE1 GLU A 73 7.774 19.808 -25.731 1.00 1.00 O +ATOM 1108 OE2 GLU A 73 5.697 19.134 -25.292 1.00 1.00 O +ATOM 1109 H GLU A 73 7.777 16.077 -23.167 1.00 1.00 H +ATOM 1110 HA GLU A 73 10.226 17.424 -22.413 1.00 1.00 H +ATOM 1111 HB2 GLU A 73 8.367 19.415 -22.890 1.00 1.00 H +ATOM 1112 HB3 GLU A 73 9.485 18.777 -24.078 1.00 1.00 H +ATOM 1113 HG2 GLU A 73 7.806 17.123 -24.830 1.00 1.00 H +ATOM 1114 HG3 GLU A 73 6.697 17.634 -23.574 1.00 1.00 H +ATOM 1115 N SER A 74 7.850 16.871 -20.454 1.00 1.00 N +ATOM 1116 CA SER A 74 7.302 17.051 -19.121 1.00 1.00 C +ATOM 1117 C SER A 74 7.530 15.789 -18.287 1.00 1.00 C +ATOM 1118 O SER A 74 6.579 15.092 -17.936 1.00 1.00 O +ATOM 1119 CB SER A 74 5.810 17.385 -19.179 1.00 1.00 C +ATOM 1120 OG SER A 74 5.508 18.600 -18.499 1.00 1.00 O +ATOM 1121 H SER A 74 7.588 16.019 -20.908 1.00 1.00 H +ATOM 1122 HA SER A 74 7.846 17.894 -18.696 1.00 1.00 H +ATOM 1123 HB2 SER A 74 5.497 17.465 -20.221 1.00 1.00 H +ATOM 1124 HB3 SER A 74 5.238 16.570 -18.737 1.00 1.00 H +ATOM 1125 HG SER A 74 6.026 18.653 -17.646 1.00 1.00 H +ATOM 1126 N ARG A 75 8.797 15.533 -17.993 1.00 1.00 N +ATOM 1127 CA ARG A 75 9.162 14.368 -17.206 1.00 1.00 C +ATOM 1128 C ARG A 75 8.964 14.650 -15.716 1.00 1.00 C +ATOM 1129 O ARG A 75 9.178 15.771 -15.258 1.00 1.00 O +ATOM 1130 CB ARG A 75 10.619 13.970 -17.454 1.00 1.00 C +ATOM 1131 CG ARG A 75 11.188 14.703 -18.670 1.00 1.00 C +ATOM 1132 CD ARG A 75 12.363 13.933 -19.275 1.00 1.00 C +ATOM 1133 NE ARG A 75 13.096 14.794 -20.229 1.00 1.00 N +ATOM 1134 CZ ARG A 75 14.216 14.426 -20.866 1.00 1.00 C +ATOM 1135 NH1 ARG A 75 14.738 13.210 -20.655 1.00 1.00 N +ATOM 1136 NH2 ARG A 75 14.814 15.273 -21.715 1.00 1.00 N +ATOM 1137 H ARG A 75 9.564 16.105 -18.282 1.00 1.00 H +ATOM 1138 HA ARG A 75 8.492 13.579 -17.549 1.00 1.00 H +ATOM 1139 HB2 ARG A 75 11.218 14.203 -16.573 1.00 1.00 H +ATOM 1140 HB3 ARG A 75 10.685 12.894 -17.610 1.00 1.00 H +ATOM 1141 HG2 ARG A 75 10.407 14.831 -19.421 1.00 1.00 H +ATOM 1142 HG3 ARG A 75 11.515 15.702 -18.379 1.00 1.00 H +ATOM 1143 HD2 ARG A 75 13.035 13.599 -18.484 1.00 1.00 H +ATOM 1144 HD3 ARG A 75 12.000 13.040 -19.784 1.00 1.00 H +ATOM 1145 HE ARG A 75 12.734 15.709 -20.409 1.00 1.00 H +ATOM 1146 HH11 ARG A 75 14.291 12.577 -20.023 1.00 1.00 H +ATOM 1147 HH12 ARG A 75 15.573 12.935 -21.131 1.00 1.00 H +ATOM 1148 HH21 ARG A 75 14.425 16.181 -21.872 1.00 1.00 H +ATOM 1149 HH22 ARG A 75 15.650 14.999 -22.190 1.00 1.00 H +ATOM 1150 N PHE A 76 8.557 13.612 -14.998 1.00 1.00 N +ATOM 1151 CA PHE A 76 8.328 13.734 -13.570 1.00 1.00 C +ATOM 1152 C PHE A 76 8.907 12.535 -12.817 1.00 1.00 C +ATOM 1153 O PHE A 76 9.703 11.777 -13.369 1.00 1.00 O +ATOM 1154 CB PHE A 76 6.812 13.769 -13.361 1.00 1.00 C +ATOM 1155 CG PHE A 76 6.088 14.801 -14.228 1.00 1.00 C +ATOM 1156 CD1 PHE A 76 6.123 16.118 -13.889 1.00 1.00 C +ATOM 1157 CD2 PHE A 76 5.411 14.402 -15.337 1.00 1.00 C +ATOM 1158 CE1 PHE A 76 5.451 17.076 -14.692 1.00 1.00 C +ATOM 1159 CE2 PHE A 76 4.739 15.360 -16.141 1.00 1.00 C +ATOM 1160 CZ PHE A 76 4.772 16.677 -15.802 1.00 1.00 C +ATOM 1161 H PHE A 76 8.385 12.703 -15.378 1.00 1.00 H +ATOM 1162 HA PHE A 76 8.827 14.644 -13.238 1.00 1.00 H +ATOM 1163 HB2 PHE A 76 6.404 12.780 -13.574 1.00 1.00 H +ATOM 1164 HB3 PHE A 76 6.605 13.980 -12.312 1.00 1.00 H +ATOM 1165 HD1 PHE A 76 6.665 16.437 -12.999 1.00 1.00 H +ATOM 1166 HD2 PHE A 76 5.383 13.347 -15.609 1.00 1.00 H +ATOM 1167 HE1 PHE A 76 5.478 18.131 -14.420 1.00 1.00 H +ATOM 1168 HE2 PHE A 76 4.195 15.041 -17.031 1.00 1.00 H +ATOM 1169 HZ PHE A 76 4.257 17.412 -16.419 1.00 1.00 H +ATOM 1170 N ASN A 77 8.484 12.400 -11.568 1.00 1.00 N +ATOM 1171 CA ASN A 77 8.951 11.306 -10.734 1.00 1.00 C +ATOM 1172 C ASN A 77 7.760 10.686 -9.999 1.00 1.00 C +ATOM 1173 O ASN A 77 7.654 9.465 -9.902 1.00 1.00 O +ATOM 1174 CB ASN A 77 9.949 11.800 -9.685 1.00 1.00 C +ATOM 1175 CG ASN A 77 11.386 11.684 -10.197 1.00 1.00 C +ATOM 1176 OD1 ASN A 77 12.072 12.667 -10.426 1.00 1.00 O +ATOM 1177 ND2 ASN A 77 11.802 10.431 -10.364 1.00 1.00 N +ATOM 1178 H ASN A 77 7.837 13.021 -11.127 1.00 1.00 H +ATOM 1179 HA ASN A 77 9.427 10.606 -11.420 1.00 1.00 H +ATOM 1180 HB2 ASN A 77 9.732 12.837 -9.431 1.00 1.00 H +ATOM 1181 HB3 ASN A 77 9.838 11.218 -8.769 1.00 1.00 H +ATOM 1182 HD21 ASN A 77 11.188 9.670 -10.157 1.00 1.00 H +ATOM 1183 HD22 ASN A 77 12.728 10.252 -10.696 1.00 1.00 H +ATOM 1184 N THR A 78 6.896 11.557 -9.500 1.00 1.00 N +ATOM 1185 CA THR A 78 5.717 11.111 -8.777 1.00 1.00 C +ATOM 1186 C THR A 78 4.454 11.384 -9.596 1.00 1.00 C +ATOM 1187 O THR A 78 4.356 12.409 -10.269 1.00 1.00 O +ATOM 1188 CB THR A 78 5.714 11.796 -7.409 1.00 1.00 C +ATOM 1189 OG1 THR A 78 5.089 10.848 -6.548 1.00 1.00 O +ATOM 1190 CG2 THR A 78 4.784 13.010 -7.363 1.00 1.00 C +ATOM 1191 H THR A 78 6.990 12.549 -9.584 1.00 1.00 H +ATOM 1192 HA THR A 78 5.784 10.031 -8.643 1.00 1.00 H +ATOM 1193 HB THR A 78 6.726 12.069 -7.109 1.00 1.00 H +ATOM 1194 HG1 THR A 78 5.441 10.949 -5.617 1.00 1.00 H +ATOM 1195 HG21 THR A 78 3.833 12.757 -7.831 1.00 1.00 H +ATOM 1196 HG22 THR A 78 4.615 13.300 -6.326 1.00 1.00 H +ATOM 1197 HG23 THR A 78 5.244 13.839 -7.902 1.00 1.00 H +ATOM 1198 N LEU A 79 3.518 10.450 -9.511 1.00 1.00 N +ATOM 1199 CA LEU A 79 2.266 10.577 -10.235 1.00 1.00 C +ATOM 1200 C LEU A 79 1.726 11.999 -10.066 1.00 1.00 C +ATOM 1201 O LEU A 79 1.387 12.660 -11.047 1.00 1.00 O +ATOM 1202 CB LEU A 79 1.281 9.490 -9.800 1.00 1.00 C +ATOM 1203 CG LEU A 79 0.046 9.310 -10.684 1.00 1.00 C +ATOM 1204 CD1 LEU A 79 -0.733 10.620 -10.812 1.00 1.00 C +ATOM 1205 CD2 LEU A 79 0.427 8.734 -12.049 1.00 1.00 C +ATOM 1206 H LEU A 79 3.606 9.619 -8.961 1.00 1.00 H +ATOM 1207 HA LEU A 79 2.481 10.413 -11.292 1.00 1.00 H +ATOM 1208 HB2 LEU A 79 1.815 8.540 -9.758 1.00 1.00 H +ATOM 1209 HB3 LEU A 79 0.949 9.713 -8.786 1.00 1.00 H +ATOM 1210 HG LEU A 79 -0.616 8.588 -10.204 1.00 1.00 H +ATOM 1211 HD11 LEU A 79 -0.526 11.251 -9.948 1.00 1.00 H +ATOM 1212 HD12 LEU A 79 -0.426 11.138 -11.721 1.00 1.00 H +ATOM 1213 HD13 LEU A 79 -1.801 10.406 -10.858 1.00 1.00 H +ATOM 1214 HD21 LEU A 79 1.164 9.383 -12.524 1.00 1.00 H +ATOM 1215 HD22 LEU A 79 0.852 7.739 -11.918 1.00 1.00 H +ATOM 1216 HD23 LEU A 79 -0.460 8.671 -12.679 1.00 1.00 H +ATOM 1217 N ALA A 80 1.661 12.428 -8.814 1.00 1.00 N +ATOM 1218 CA ALA A 80 1.169 13.759 -8.504 1.00 1.00 C +ATOM 1219 C ALA A 80 1.757 14.761 -9.498 1.00 1.00 C +ATOM 1220 O ALA A 80 1.031 15.342 -10.302 1.00 1.00 O +ATOM 1221 CB ALA A 80 1.512 14.105 -7.054 1.00 1.00 C +ATOM 1222 H ALA A 80 1.938 11.884 -8.022 1.00 1.00 H +ATOM 1223 HA ALA A 80 0.084 13.745 -8.614 1.00 1.00 H +ATOM 1224 HB1 ALA A 80 2.402 13.555 -6.750 1.00 1.00 H +ATOM 1225 HB2 ALA A 80 1.701 15.175 -6.971 1.00 1.00 H +ATOM 1226 HB3 ALA A 80 0.678 13.833 -6.408 1.00 1.00 H +ATOM 1227 N GLU A 81 3.068 14.933 -9.411 1.00 1.00 N +ATOM 1228 CA GLU A 81 3.764 15.855 -10.293 1.00 1.00 C +ATOM 1229 C GLU A 81 3.254 15.702 -11.727 1.00 1.00 C +ATOM 1230 O GLU A 81 3.303 16.650 -12.511 1.00 1.00 O +ATOM 1231 CB GLU A 81 5.277 15.645 -10.223 1.00 1.00 C +ATOM 1232 CG GLU A 81 5.958 16.800 -9.486 1.00 1.00 C +ATOM 1233 CD GLU A 81 6.219 16.439 -8.023 1.00 1.00 C +ATOM 1234 OE1 GLU A 81 6.822 15.367 -7.801 1.00 1.00 O +ATOM 1235 OE2 GLU A 81 5.809 17.245 -7.159 1.00 1.00 O +ATOM 1236 H GLU A 81 3.652 14.456 -8.753 1.00 1.00 H +ATOM 1237 HA GLU A 81 3.523 16.850 -9.918 1.00 1.00 H +ATOM 1238 HB2 GLU A 81 5.494 14.705 -9.714 1.00 1.00 H +ATOM 1239 HB3 GLU A 81 5.683 15.561 -11.231 1.00 1.00 H +ATOM 1240 HG2 GLU A 81 6.900 17.044 -9.978 1.00 1.00 H +ATOM 1241 HG3 GLU A 81 5.330 17.689 -9.540 1.00 1.00 H +ATOM 1242 N LEU A 82 2.776 14.504 -12.027 1.00 1.00 N +ATOM 1243 CA LEU A 82 2.258 14.216 -13.354 1.00 1.00 C +ATOM 1244 C LEU A 82 0.938 14.963 -13.554 1.00 1.00 C +ATOM 1245 O LEU A 82 0.770 15.683 -14.537 1.00 1.00 O +ATOM 1246 CB LEU A 82 2.149 12.705 -13.571 1.00 1.00 C +ATOM 1247 CG LEU A 82 2.446 12.207 -14.986 1.00 1.00 C +ATOM 1248 CD1 LEU A 82 3.747 11.402 -15.022 1.00 1.00 C +ATOM 1249 CD2 LEU A 82 1.265 11.414 -15.547 1.00 1.00 C +ATOM 1250 H LEU A 82 2.739 13.739 -11.384 1.00 1.00 H +ATOM 1251 HA LEU A 82 2.981 14.594 -14.077 1.00 1.00 H +ATOM 1252 HB2 LEU A 82 2.833 12.209 -12.881 1.00 1.00 H +ATOM 1253 HB3 LEU A 82 1.141 12.391 -13.300 1.00 1.00 H +ATOM 1254 HG LEU A 82 2.588 13.074 -15.631 1.00 1.00 H +ATOM 1255 HD11 LEU A 82 4.333 11.619 -14.129 1.00 1.00 H +ATOM 1256 HD12 LEU A 82 3.515 10.337 -15.054 1.00 1.00 H +ATOM 1257 HD13 LEU A 82 4.319 11.675 -15.908 1.00 1.00 H +ATOM 1258 HD21 LEU A 82 0.335 11.922 -15.297 1.00 1.00 H +ATOM 1259 HD22 LEU A 82 1.360 11.339 -16.631 1.00 1.00 H +ATOM 1260 HD23 LEU A 82 1.261 10.413 -15.114 1.00 1.00 H +ATOM 1261 N VAL A 83 0.032 14.764 -12.607 1.00 1.00 N +ATOM 1262 CA VAL A 83 -1.268 15.409 -12.668 1.00 1.00 C +ATOM 1263 C VAL A 83 -1.090 16.920 -12.509 1.00 1.00 C +ATOM 1264 O VAL A 83 -1.732 17.701 -13.210 1.00 1.00 O +ATOM 1265 CB VAL A 83 -2.202 14.804 -11.617 1.00 1.00 C +ATOM 1266 CG1 VAL A 83 -3.561 15.505 -11.623 1.00 1.00 C +ATOM 1267 CG2 VAL A 83 -2.362 13.296 -11.829 1.00 1.00 C +ATOM 1268 H VAL A 83 0.177 14.176 -11.811 1.00 1.00 H +ATOM 1269 HA VAL A 83 -1.690 15.207 -13.651 1.00 1.00 H +ATOM 1270 HB VAL A 83 -1.749 14.958 -10.637 1.00 1.00 H +ATOM 1271 HG11 VAL A 83 -3.847 15.735 -12.650 1.00 1.00 H +ATOM 1272 HG12 VAL A 83 -4.309 14.851 -11.176 1.00 1.00 H +ATOM 1273 HG13 VAL A 83 -3.496 16.429 -11.049 1.00 1.00 H +ATOM 1274 HG21 VAL A 83 -2.128 13.049 -12.865 1.00 1.00 H +ATOM 1275 HG22 VAL A 83 -1.680 12.762 -11.167 1.00 1.00 H +ATOM 1276 HG23 VAL A 83 -3.388 13.005 -11.608 1.00 1.00 H +ATOM 1277 N HIS A 84 -0.216 17.287 -11.583 1.00 1.00 N +ATOM 1278 CA HIS A 84 0.054 18.691 -11.323 1.00 1.00 C +ATOM 1279 C HIS A 84 0.209 19.438 -12.649 1.00 1.00 C +ATOM 1280 O HIS A 84 -0.499 20.411 -12.905 1.00 1.00 O +ATOM 1281 CB HIS A 84 1.269 18.851 -10.407 1.00 1.00 C +ATOM 1282 CG HIS A 84 0.972 19.567 -9.111 1.00 1.00 C +ATOM 1283 ND1 HIS A 84 1.935 19.798 -8.145 1.00 1.00 N +ATOM 1284 CD2 HIS A 84 -0.189 20.102 -8.634 1.00 1.00 C +ATOM 1285 CE1 HIS A 84 1.368 20.442 -7.136 1.00 1.00 C +ATOM 1286 NE2 HIS A 84 0.052 20.628 -7.440 1.00 1.00 N +ATOM 1287 H HIS A 84 0.302 16.646 -11.017 1.00 1.00 H +ATOM 1288 HA HIS A 84 -0.815 19.084 -10.795 1.00 1.00 H +ATOM 1289 HB2 HIS A 84 1.672 17.864 -10.181 1.00 1.00 H +ATOM 1290 HB3 HIS A 84 2.046 19.397 -10.943 1.00 1.00 H +ATOM 1291 HD1 HIS A 84 2.895 19.525 -8.199 1.00 1.00 H +ATOM 1292 HD2 HIS A 84 -1.150 20.096 -9.148 1.00 1.00 H +ATOM 1293 HE1 HIS A 84 1.866 20.766 -6.222 1.00 1.00 H +ATOM 1294 N HIS A 85 1.141 18.954 -13.459 1.00 1.00 N +ATOM 1295 CA HIS A 85 1.398 19.563 -14.752 1.00 1.00 C +ATOM 1296 C HIS A 85 0.232 19.271 -15.699 1.00 1.00 C +ATOM 1297 O HIS A 85 -0.223 20.156 -16.421 1.00 1.00 O +ATOM 1298 CB HIS A 85 2.746 19.103 -15.312 1.00 1.00 C +ATOM 1299 CG HIS A 85 2.969 19.471 -16.759 1.00 1.00 C +ATOM 1300 ND1 HIS A 85 3.143 20.777 -17.182 1.00 1.00 N +ATOM 1301 CD2 HIS A 85 3.044 18.691 -17.875 1.00 1.00 C +ATOM 1302 CE1 HIS A 85 3.315 20.772 -18.495 1.00 1.00 C +ATOM 1303 NE2 HIS A 85 3.252 19.478 -18.923 1.00 1.00 N +ATOM 1304 H HIS A 85 1.712 18.163 -13.244 1.00 1.00 H +ATOM 1305 HA HIS A 85 1.458 20.639 -14.585 1.00 1.00 H +ATOM 1306 HB2 HIS A 85 3.544 19.538 -14.709 1.00 1.00 H +ATOM 1307 HB3 HIS A 85 2.821 18.021 -15.206 1.00 1.00 H +ATOM 1308 HD1 HIS A 85 3.141 21.587 -16.595 1.00 1.00 H +ATOM 1309 HD2 HIS A 85 2.949 17.606 -17.902 1.00 1.00 H +ATOM 1310 HE1 HIS A 85 3.477 21.648 -19.125 1.00 1.00 H +ATOM 1311 N HIS A 86 -0.217 18.025 -15.664 1.00 1.00 N +ATOM 1312 CA HIS A 86 -1.320 17.603 -16.510 1.00 1.00 C +ATOM 1313 C HIS A 86 -2.632 18.166 -15.960 1.00 1.00 C +ATOM 1314 O HIS A 86 -3.713 17.759 -16.384 1.00 1.00 O +ATOM 1315 CB HIS A 86 -1.344 16.080 -16.654 1.00 1.00 C +ATOM 1316 CG HIS A 86 -0.139 15.511 -17.364 1.00 1.00 C +ATOM 1317 ND1 HIS A 86 0.547 16.202 -18.348 1.00 1.00 N +ATOM 1318 CD2 HIS A 86 0.497 14.313 -17.222 1.00 1.00 C +ATOM 1319 CE1 HIS A 86 1.547 15.445 -18.772 1.00 1.00 C +ATOM 1320 NE2 HIS A 86 1.514 14.273 -18.073 1.00 1.00 N +ATOM 1321 H HIS A 86 0.160 17.311 -15.073 1.00 1.00 H +ATOM 1322 HA HIS A 86 -1.138 18.027 -17.497 1.00 1.00 H +ATOM 1323 HB2 HIS A 86 -1.414 15.632 -15.663 1.00 1.00 H +ATOM 1324 HB3 HIS A 86 -2.243 15.791 -17.198 1.00 1.00 H +ATOM 1325 HD1 HIS A 86 0.325 17.119 -18.681 1.00 1.00 H +ATOM 1326 HD2 HIS A 86 0.216 13.522 -16.526 1.00 1.00 H +ATOM 1327 HE1 HIS A 86 2.270 15.710 -19.544 1.00 1.00 H +ATOM 1328 N SER A 87 -2.495 19.095 -15.025 1.00 1.00 N +ATOM 1329 CA SER A 87 -3.655 19.719 -14.413 1.00 1.00 C +ATOM 1330 C SER A 87 -4.047 20.976 -15.194 1.00 1.00 C +ATOM 1331 O SER A 87 -5.231 21.273 -15.345 1.00 1.00 O +ATOM 1332 CB SER A 87 -3.385 20.067 -12.948 1.00 1.00 C +ATOM 1333 OG SER A 87 -4.565 20.502 -12.276 1.00 1.00 O +ATOM 1334 H SER A 87 -1.612 19.420 -14.687 1.00 1.00 H +ATOM 1335 HA SER A 87 -4.447 18.972 -14.468 1.00 1.00 H +ATOM 1336 HB2 SER A 87 -2.978 19.194 -12.438 1.00 1.00 H +ATOM 1337 HB3 SER A 87 -2.629 20.850 -12.895 1.00 1.00 H +ATOM 1338 HG SER A 87 -5.330 20.542 -12.919 1.00 1.00 H +ATOM 1339 N THR A 88 -3.030 21.679 -15.670 1.00 1.00 N +ATOM 1340 CA THR A 88 -3.253 22.896 -16.431 1.00 1.00 C +ATOM 1341 C THR A 88 -2.665 22.761 -17.836 1.00 1.00 C +ATOM 1342 O THR A 88 -3.101 23.442 -18.764 1.00 1.00 O +ATOM 1343 CB THR A 88 -2.665 24.065 -15.636 1.00 1.00 C +ATOM 1344 OG1 THR A 88 -3.755 24.528 -14.845 1.00 1.00 O +ATOM 1345 CG2 THR A 88 -2.315 25.260 -16.525 1.00 1.00 C +ATOM 1346 H THR A 88 -2.070 21.429 -15.542 1.00 1.00 H +ATOM 1347 HA THR A 88 -4.328 23.038 -16.545 1.00 1.00 H +ATOM 1348 HB THR A 88 -1.800 23.745 -15.056 1.00 1.00 H +ATOM 1349 HG1 THR A 88 -3.810 24.002 -13.996 1.00 1.00 H +ATOM 1350 HG21 THR A 88 -2.970 25.269 -17.397 1.00 1.00 H +ATOM 1351 HG22 THR A 88 -2.448 26.183 -15.962 1.00 1.00 H +ATOM 1352 HG23 THR A 88 -1.279 25.178 -16.852 1.00 1.00 H +ATOM 1353 N VAL A 89 -1.685 21.877 -17.951 1.00 1.00 N +ATOM 1354 CA VAL A 89 -1.034 21.644 -19.229 1.00 1.00 C +ATOM 1355 C VAL A 89 -0.848 20.139 -19.435 1.00 1.00 C +ATOM 1356 O VAL A 89 0.212 19.594 -19.133 1.00 1.00 O +ATOM 1357 CB VAL A 89 0.282 22.422 -19.295 1.00 1.00 C +ATOM 1358 CG1 VAL A 89 1.166 21.910 -20.434 1.00 1.00 C +ATOM 1359 CG2 VAL A 89 0.023 23.924 -19.436 1.00 1.00 C +ATOM 1360 H VAL A 89 -1.337 21.327 -17.193 1.00 1.00 H +ATOM 1361 HA VAL A 89 -1.692 22.026 -20.009 1.00 1.00 H +ATOM 1362 HB VAL A 89 0.815 22.261 -18.358 1.00 1.00 H +ATOM 1363 HG11 VAL A 89 0.556 21.746 -21.322 1.00 1.00 H +ATOM 1364 HG12 VAL A 89 1.938 22.646 -20.653 1.00 1.00 H +ATOM 1365 HG13 VAL A 89 1.633 20.971 -20.137 1.00 1.00 H +ATOM 1366 HG21 VAL A 89 -0.937 24.172 -18.984 1.00 1.00 H +ATOM 1367 HG22 VAL A 89 0.816 24.478 -18.932 1.00 1.00 H +ATOM 1368 HG23 VAL A 89 0.008 24.193 -20.492 1.00 1.00 H +ATOM 1369 N ALA A 90 -1.896 19.510 -19.948 1.00 1.00 N +ATOM 1370 CA ALA A 90 -1.862 18.079 -20.198 1.00 1.00 C +ATOM 1371 C ALA A 90 -1.008 17.803 -21.436 1.00 1.00 C +ATOM 1372 O ALA A 90 -1.512 17.319 -22.448 1.00 1.00 O +ATOM 1373 CB ALA A 90 -3.291 17.552 -20.345 1.00 1.00 C +ATOM 1374 H ALA A 90 -2.755 19.962 -20.190 1.00 1.00 H +ATOM 1375 HA ALA A 90 -1.400 17.602 -19.333 1.00 1.00 H +ATOM 1376 HB1 ALA A 90 -3.997 18.365 -20.176 1.00 1.00 H +ATOM 1377 HB2 ALA A 90 -3.430 17.155 -21.352 1.00 1.00 H +ATOM 1378 HB3 ALA A 90 -3.464 16.762 -19.615 1.00 1.00 H +ATOM 1379 N ASP A 91 0.273 18.120 -21.315 1.00 1.00 N +ATOM 1380 CA ASP A 91 1.203 17.911 -22.411 1.00 1.00 C +ATOM 1381 C ASP A 91 1.407 16.410 -22.622 1.00 1.00 C +ATOM 1382 O ASP A 91 1.982 15.993 -23.627 1.00 1.00 O +ATOM 1383 CB ASP A 91 2.566 18.536 -22.105 1.00 1.00 C +ATOM 1384 CG ASP A 91 3.772 17.699 -22.536 1.00 1.00 C +ATOM 1385 OD1 ASP A 91 4.066 16.717 -21.821 1.00 1.00 O +ATOM 1386 OD2 ASP A 91 4.373 18.062 -23.570 1.00 1.00 O +ATOM 1387 H ASP A 91 0.676 18.513 -20.488 1.00 1.00 H +ATOM 1388 HA ASP A 91 0.743 18.394 -23.273 1.00 1.00 H +ATOM 1389 HB2 ASP A 91 2.622 19.507 -22.596 1.00 1.00 H +ATOM 1390 HB3 ASP A 91 2.633 18.717 -21.032 1.00 1.00 H +ATOM 1391 N GLY A 92 0.926 15.639 -21.659 1.00 1.00 N +ATOM 1392 CA GLY A 92 1.048 14.192 -21.727 1.00 1.00 C +ATOM 1393 C GLY A 92 -0.317 13.535 -21.933 1.00 1.00 C +ATOM 1394 O GLY A 92 -0.622 13.057 -23.025 1.00 1.00 O +ATOM 1395 H GLY A 92 0.460 15.985 -20.846 1.00 1.00 H +ATOM 1396 HA2 GLY A 92 1.715 13.918 -22.544 1.00 1.00 H +ATOM 1397 HA3 GLY A 92 1.500 13.819 -20.808 1.00 1.00 H +ATOM 1398 N LEU A 93 -1.105 13.533 -20.867 1.00 1.00 N +ATOM 1399 CA LEU A 93 -2.432 12.943 -20.918 1.00 1.00 C +ATOM 1400 C LEU A 93 -3.338 13.809 -21.797 1.00 1.00 C +ATOM 1401 O LEU A 93 -3.383 15.028 -21.635 1.00 1.00 O +ATOM 1402 CB LEU A 93 -2.974 12.722 -19.504 1.00 1.00 C +ATOM 1403 CG LEU A 93 -1.997 13.000 -18.360 1.00 1.00 C +ATOM 1404 CD1 LEU A 93 -2.700 12.907 -17.004 1.00 1.00 C +ATOM 1405 CD2 LEU A 93 -0.782 12.073 -18.441 1.00 1.00 C +ATOM 1406 H LEU A 93 -0.850 13.925 -19.983 1.00 1.00 H +ATOM 1407 HA LEU A 93 -2.336 11.962 -21.383 1.00 1.00 H +ATOM 1408 HB2 LEU A 93 -3.851 13.357 -19.370 1.00 1.00 H +ATOM 1409 HB3 LEU A 93 -3.314 11.689 -19.424 1.00 1.00 H +ATOM 1410 HG LEU A 93 -1.631 14.021 -18.464 1.00 1.00 H +ATOM 1411 HD11 LEU A 93 -3.372 12.048 -17.001 1.00 1.00 H +ATOM 1412 HD12 LEU A 93 -1.956 12.789 -16.217 1.00 1.00 H +ATOM 1413 HD13 LEU A 93 -3.274 13.818 -16.829 1.00 1.00 H +ATOM 1414 HD21 LEU A 93 -1.070 11.136 -18.914 1.00 1.00 H +ATOM 1415 HD22 LEU A 93 0.001 12.552 -19.028 1.00 1.00 H +ATOM 1416 HD23 LEU A 93 -0.411 11.873 -17.435 1.00 1.00 H +ATOM 1417 N ILE A 94 -4.036 13.145 -22.705 1.00 1.00 N +ATOM 1418 CA ILE A 94 -4.938 13.839 -23.609 1.00 1.00 C +ATOM 1419 C ILE A 94 -5.756 14.864 -22.820 1.00 1.00 C +ATOM 1420 O ILE A 94 -5.394 16.038 -22.758 1.00 1.00 O +ATOM 1421 CB ILE A 94 -5.793 12.837 -24.387 1.00 1.00 C +ATOM 1422 CG1 ILE A 94 -7.047 13.507 -24.951 1.00 1.00 C +ATOM 1423 CG2 ILE A 94 -6.132 11.620 -23.524 1.00 1.00 C +ATOM 1424 CD1 ILE A 94 -7.616 12.707 -26.125 1.00 1.00 C +ATOM 1425 H ILE A 94 -3.993 12.154 -22.830 1.00 1.00 H +ATOM 1426 HA ILE A 94 -4.326 14.373 -24.336 1.00 1.00 H +ATOM 1427 HB ILE A 94 -5.211 12.478 -25.235 1.00 1.00 H +ATOM 1428 HG12 ILE A 94 -7.800 13.595 -24.167 1.00 1.00 H +ATOM 1429 HG13 ILE A 94 -6.808 14.519 -25.277 1.00 1.00 H +ATOM 1430 HG21 ILE A 94 -6.012 11.875 -22.471 1.00 1.00 H +ATOM 1431 HG22 ILE A 94 -7.163 11.319 -23.709 1.00 1.00 H +ATOM 1432 HG23 ILE A 94 -5.463 10.798 -23.777 1.00 1.00 H +ATOM 1433 HD11 ILE A 94 -7.610 11.646 -25.878 1.00 1.00 H +ATOM 1434 HD12 ILE A 94 -8.639 13.029 -26.322 1.00 1.00 H +ATOM 1435 HD13 ILE A 94 -7.004 12.879 -27.010 1.00 1.00 H +ATOM 1436 N THR A 95 -6.843 14.381 -22.236 1.00 1.00 N +ATOM 1437 CA THR A 95 -7.716 15.240 -21.453 1.00 1.00 C +ATOM 1438 C THR A 95 -6.948 15.854 -20.281 1.00 1.00 C +ATOM 1439 O THR A 95 -5.951 15.294 -19.826 1.00 1.00 O +ATOM 1440 CB THR A 95 -8.928 14.413 -21.019 1.00 1.00 C +ATOM 1441 OG1 THR A 95 -9.557 15.214 -20.023 1.00 1.00 O +ATOM 1442 CG2 THR A 95 -8.530 13.138 -20.273 1.00 1.00 C +ATOM 1443 H THR A 95 -7.130 13.424 -22.291 1.00 1.00 H +ATOM 1444 HA THR A 95 -8.046 16.063 -22.086 1.00 1.00 H +ATOM 1445 HB THR A 95 -9.567 14.182 -21.871 1.00 1.00 H +ATOM 1446 HG1 THR A 95 -10.259 15.791 -20.441 1.00 1.00 H +ATOM 1447 HG21 THR A 95 -7.762 12.611 -20.840 1.00 1.00 H +ATOM 1448 HG22 THR A 95 -8.141 13.398 -19.289 1.00 1.00 H +ATOM 1449 HG23 THR A 95 -9.403 12.495 -20.161 1.00 1.00 H +ATOM 1450 N THR A 96 -7.442 16.996 -19.825 1.00 1.00 N +ATOM 1451 CA THR A 96 -6.814 17.692 -18.714 1.00 1.00 C +ATOM 1452 C THR A 96 -7.530 17.360 -17.404 1.00 1.00 C +ATOM 1453 O THR A 96 -8.698 17.699 -17.227 1.00 1.00 O +ATOM 1454 CB THR A 96 -6.803 19.186 -19.038 1.00 1.00 C +ATOM 1455 OG1 THR A 96 -8.134 19.611 -18.760 1.00 1.00 O +ATOM 1456 CG2 THR A 96 -6.629 19.460 -20.534 1.00 1.00 C +ATOM 1457 H THR A 96 -8.253 17.444 -20.201 1.00 1.00 H +ATOM 1458 HA THR A 96 -5.789 17.333 -18.618 1.00 1.00 H +ATOM 1459 HB THR A 96 -6.042 19.706 -18.457 1.00 1.00 H +ATOM 1460 HG1 THR A 96 -8.774 18.862 -18.927 1.00 1.00 H +ATOM 1461 HG21 THR A 96 -6.242 18.567 -21.024 1.00 1.00 H +ATOM 1462 HG22 THR A 96 -7.592 19.725 -20.969 1.00 1.00 H +ATOM 1463 HG23 THR A 96 -5.928 20.284 -20.674 1.00 1.00 H +ATOM 1464 N LEU A 97 -6.799 16.699 -16.519 1.00 1.00 N +ATOM 1465 CA LEU A 97 -7.349 16.316 -15.230 1.00 1.00 C +ATOM 1466 C LEU A 97 -8.276 17.425 -14.726 1.00 1.00 C +ATOM 1467 O LEU A 97 -7.844 18.561 -14.535 1.00 1.00 O +ATOM 1468 CB LEU A 97 -6.228 15.962 -14.251 1.00 1.00 C +ATOM 1469 CG LEU A 97 -5.277 14.849 -14.696 1.00 1.00 C +ATOM 1470 CD1 LEU A 97 -3.923 15.421 -15.121 1.00 1.00 C +ATOM 1471 CD2 LEU A 97 -5.132 13.783 -13.608 1.00 1.00 C +ATOM 1472 H LEU A 97 -5.849 16.425 -16.669 1.00 1.00 H +ATOM 1473 HA LEU A 97 -7.941 15.414 -15.381 1.00 1.00 H +ATOM 1474 HB2 LEU A 97 -5.640 16.860 -14.062 1.00 1.00 H +ATOM 1475 HB3 LEU A 97 -6.678 15.670 -13.302 1.00 1.00 H +ATOM 1476 HG LEU A 97 -5.708 14.360 -15.570 1.00 1.00 H +ATOM 1477 HD11 LEU A 97 -3.743 16.358 -14.593 1.00 1.00 H +ATOM 1478 HD12 LEU A 97 -3.135 14.710 -14.876 1.00 1.00 H +ATOM 1479 HD13 LEU A 97 -3.927 15.605 -16.195 1.00 1.00 H +ATOM 1480 HD21 LEU A 97 -5.575 14.148 -12.681 1.00 1.00 H +ATOM 1481 HD22 LEU A 97 -5.644 12.872 -13.921 1.00 1.00 H +ATOM 1482 HD23 LEU A 97 -4.076 13.569 -13.446 1.00 1.00 H +ATOM 1483 N HIS A 98 -9.533 17.057 -14.526 1.00 1.00 N +ATOM 1484 CA HIS A 98 -10.524 18.006 -14.049 1.00 1.00 C +ATOM 1485 C HIS A 98 -10.772 17.784 -12.555 1.00 1.00 C +ATOM 1486 O HIS A 98 -10.242 18.514 -11.720 1.00 1.00 O +ATOM 1487 CB HIS A 98 -11.805 17.919 -14.882 1.00 1.00 C +ATOM 1488 CG HIS A 98 -12.972 18.678 -14.295 1.00 1.00 C +ATOM 1489 ND1 HIS A 98 -12.840 19.934 -13.729 1.00 1.00 N +ATOM 1490 CD2 HIS A 98 -14.290 18.345 -14.194 1.00 1.00 C +ATOM 1491 CE1 HIS A 98 -14.033 20.329 -13.309 1.00 1.00 C +ATOM 1492 NE2 HIS A 98 -14.930 19.343 -13.597 1.00 1.00 N +ATOM 1493 H HIS A 98 -9.876 16.131 -14.684 1.00 1.00 H +ATOM 1494 HA HIS A 98 -10.101 19.001 -14.194 1.00 1.00 H +ATOM 1495 HB2 HIS A 98 -11.602 18.302 -15.882 1.00 1.00 H +ATOM 1496 HB3 HIS A 98 -12.084 16.871 -14.991 1.00 1.00 H +ATOM 1497 HD1 HIS A 98 -11.990 20.454 -13.650 1.00 1.00 H +ATOM 1498 HD2 HIS A 98 -14.742 17.418 -14.544 1.00 1.00 H +ATOM 1499 HE1 HIS A 98 -14.258 21.276 -12.818 1.00 1.00 H +ATOM 1500 N TYR A 99 -11.576 16.771 -12.267 1.00 1.00 N +ATOM 1501 CA TYR A 99 -11.899 16.442 -10.889 1.00 1.00 C +ATOM 1502 C TYR A 99 -12.184 14.948 -10.734 1.00 1.00 C +ATOM 1503 O TYR A 99 -13.223 14.462 -11.176 1.00 1.00 O +ATOM 1504 CB TYR A 99 -13.169 17.229 -10.555 1.00 1.00 C +ATOM 1505 CG TYR A 99 -14.465 16.464 -10.827 1.00 1.00 C +ATOM 1506 CD1 TYR A 99 -14.806 16.124 -12.121 1.00 1.00 C +ATOM 1507 CD2 TYR A 99 -15.292 16.113 -9.780 1.00 1.00 C +ATOM 1508 CE1 TYR A 99 -16.026 15.403 -12.377 1.00 1.00 C +ATOM 1509 CE2 TYR A 99 -16.512 15.392 -10.037 1.00 1.00 C +ATOM 1510 CZ TYR A 99 -16.819 15.073 -11.323 1.00 1.00 C +ATOM 1511 OH TYR A 99 -17.971 14.392 -11.565 1.00 1.00 O +ATOM 1512 H TYR A 99 -12.001 16.182 -12.953 1.00 1.00 H +ATOM 1513 HA TYR A 99 -11.043 16.707 -10.270 1.00 1.00 H +ATOM 1514 HB2 TYR A 99 -13.141 17.514 -9.503 1.00 1.00 H +ATOM 1515 HB3 TYR A 99 -13.175 18.152 -11.134 1.00 1.00 H +ATOM 1516 HD1 TYR A 99 -14.153 16.400 -12.948 1.00 1.00 H +ATOM 1517 HD2 TYR A 99 -15.022 16.381 -8.758 1.00 1.00 H +ATOM 1518 HE1 TYR A 99 -16.308 15.128 -13.394 1.00 1.00 H +ATOM 1519 HE2 TYR A 99 -17.175 15.109 -9.219 1.00 1.00 H +ATOM 1520 HH TYR A 99 -17.831 13.415 -11.408 1.00 1.00 H +ATOM 1521 N PRO A 100 -11.218 14.242 -10.086 1.00 1.00 N +ATOM 1522 CA PRO A 100 -11.355 12.812 -9.868 1.00 1.00 C +ATOM 1523 C PRO A 100 -12.362 12.522 -8.752 1.00 1.00 C +ATOM 1524 O PRO A 100 -11.991 12.433 -7.584 1.00 1.00 O +ATOM 1525 CB PRO A 100 -9.952 12.328 -9.542 1.00 1.00 C +ATOM 1526 CG PRO A 100 -9.169 13.565 -9.133 1.00 1.00 C +ATOM 1527 CD PRO A 100 -9.975 14.785 -9.549 1.00 1.00 C +ATOM 1528 HA PRO A 100 -11.719 12.370 -10.687 1.00 1.00 H +ATOM 1529 HB2 PRO A 100 -9.970 11.594 -8.736 1.00 1.00 H +ATOM 1530 HB3 PRO A 100 -9.495 11.844 -10.405 1.00 1.00 H +ATOM 1531 HG2 PRO A 100 -8.996 13.570 -8.057 1.00 1.00 H +ATOM 1532 HG3 PRO A 100 -8.190 13.572 -9.614 1.00 1.00 H +ATOM 1533 HD2 PRO A 100 -10.164 15.442 -8.700 1.00 1.00 H +ATOM 1534 HD3 PRO A 100 -9.444 15.375 -10.296 1.00 1.00 H +ATOM 1535 N ALA A 101 -13.617 12.383 -9.154 1.00 1.00 N +ATOM 1536 CA ALA A 101 -14.681 12.105 -8.204 1.00 1.00 C +ATOM 1537 C ALA A 101 -14.245 10.969 -7.275 1.00 1.00 C +ATOM 1538 O ALA A 101 -13.512 10.071 -7.688 1.00 1.00 O +ATOM 1539 CB ALA A 101 -15.969 11.776 -8.960 1.00 1.00 C +ATOM 1540 H ALA A 101 -13.911 12.456 -10.107 1.00 1.00 H +ATOM 1541 HA ALA A 101 -14.841 13.005 -7.612 1.00 1.00 H +ATOM 1542 HB1 ALA A 101 -15.721 11.326 -9.921 1.00 1.00 H +ATOM 1543 HB2 ALA A 101 -16.566 11.077 -8.375 1.00 1.00 H +ATOM 1544 HB3 ALA A 101 -16.538 12.692 -9.124 1.00 1.00 H +ATOM 1545 N PRO A 102 -14.725 11.050 -6.005 1.00 1.00 N +ATOM 1546 CA PRO A 102 -14.392 10.039 -5.015 1.00 1.00 C +ATOM 1547 C PRO A 102 -15.172 8.748 -5.266 1.00 1.00 C +ATOM 1548 O PRO A 102 -16.333 8.787 -5.669 1.00 1.00 O +ATOM 1549 CB PRO A 102 -14.719 10.680 -3.675 1.00 1.00 C +ATOM 1550 CG PRO A 102 -15.652 11.840 -3.984 1.00 1.00 C +ATOM 1551 CD PRO A 102 -15.594 12.099 -5.481 1.00 1.00 C +ATOM 1552 HA PRO A 102 -13.425 9.792 -5.082 1.00 1.00 H +ATOM 1553 HB2 PRO A 102 -15.195 9.963 -3.006 1.00 1.00 H +ATOM 1554 HB3 PRO A 102 -13.813 11.029 -3.178 1.00 1.00 H +ATOM 1555 HG2 PRO A 102 -16.670 11.602 -3.677 1.00 1.00 H +ATOM 1556 HG3 PRO A 102 -15.351 12.730 -3.431 1.00 1.00 H +ATOM 1557 HD2 PRO A 102 -16.586 12.052 -5.929 1.00 1.00 H +ATOM 1558 HD3 PRO A 102 -15.193 13.089 -5.696 1.00 1.00 H +ATOM 1559 N LYS A 103 -14.503 7.632 -5.016 1.00 1.00 N +ATOM 1560 CA LYS A 103 -15.118 6.330 -5.209 1.00 1.00 C +ATOM 1561 C LYS A 103 -14.993 5.514 -3.921 1.00 1.00 C +ATOM 1562 O LYS A 103 -14.530 4.375 -3.946 1.00 1.00 O +ATOM 1563 CB LYS A 103 -14.527 5.635 -6.437 1.00 1.00 C +ATOM 1564 CG LYS A 103 -13.029 5.921 -6.560 1.00 1.00 C +ATOM 1565 CD LYS A 103 -12.225 5.064 -5.581 1.00 1.00 C +ATOM 1566 CE LYS A 103 -11.823 5.875 -4.347 1.00 1.00 C +ATOM 1567 NZ LYS A 103 -10.889 5.099 -3.499 1.00 1.00 N +ATOM 1568 H LYS A 103 -13.558 7.608 -4.688 1.00 1.00 H +ATOM 1569 HA LYS A 103 -16.177 6.496 -5.411 1.00 1.00 H +ATOM 1570 HB2 LYS A 103 -14.691 4.560 -6.366 1.00 1.00 H +ATOM 1571 HB3 LYS A 103 -15.042 5.976 -7.335 1.00 1.00 H +ATOM 1572 HG2 LYS A 103 -12.700 5.720 -7.580 1.00 1.00 H +ATOM 1573 HG3 LYS A 103 -12.840 6.976 -6.367 1.00 1.00 H +ATOM 1574 HD2 LYS A 103 -12.816 4.201 -5.277 1.00 1.00 H +ATOM 1575 HD3 LYS A 103 -11.332 4.681 -6.075 1.00 1.00 H +ATOM 1576 HE2 LYS A 103 -11.353 6.809 -4.656 1.00 1.00 H +ATOM 1577 HE3 LYS A 103 -12.711 6.139 -3.772 1.00 1.00 H +ATOM 1578 HZ1 LYS A 103 -11.163 4.138 -3.495 1.00 1.00 H +ATOM 1579 HZ2 LYS A 103 -9.962 5.181 -3.865 1.00 1.00 H +ATOM 1580 HZ3 LYS A 103 -10.912 5.457 -2.566 1.00 1.00 H +ATOM 1581 N ARG A 104 -15.413 6.130 -2.825 1.00 1.00 N +ATOM 1582 CA ARG A 104 -15.354 5.475 -1.529 1.00 1.00 C +ATOM 1583 C ARG A 104 -16.554 4.543 -1.350 1.00 1.00 C +ATOM 1584 O ARG A 104 -16.390 3.371 -1.018 1.00 1.00 O +ATOM 1585 CB ARG A 104 -15.338 6.501 -0.395 1.00 1.00 C +ATOM 1586 CG ARG A 104 -15.988 7.816 -0.834 1.00 1.00 C +ATOM 1587 CD ARG A 104 -16.367 8.671 0.376 1.00 1.00 C +ATOM 1588 NE ARG A 104 -17.700 9.280 0.167 1.00 1.00 N +ATOM 1589 CZ ARG A 104 -17.905 10.433 -0.484 1.00 1.00 C +ATOM 1590 NH1 ARG A 104 -16.867 11.108 -0.995 1.00 1.00 N +ATOM 1591 NH2 ARG A 104 -19.150 10.909 -0.626 1.00 1.00 N +ATOM 1592 H ARG A 104 -15.789 7.056 -2.813 1.00 1.00 H +ATOM 1593 HA ARG A 104 -14.420 4.914 -1.544 1.00 1.00 H +ATOM 1594 HB2 ARG A 104 -15.870 6.101 0.470 1.00 1.00 H +ATOM 1595 HB3 ARG A 104 -14.312 6.685 -0.080 1.00 1.00 H +ATOM 1596 HG2 ARG A 104 -15.299 8.368 -1.473 1.00 1.00 H +ATOM 1597 HG3 ARG A 104 -16.876 7.605 -1.429 1.00 1.00 H +ATOM 1598 HD2 ARG A 104 -16.375 8.058 1.277 1.00 1.00 H +ATOM 1599 HD3 ARG A 104 -15.621 9.452 0.529 1.00 1.00 H +ATOM 1600 HE ARG A 104 -18.497 8.801 0.535 1.00 1.00 H +ATOM 1601 HH11 ARG A 104 -15.938 10.752 -0.888 1.00 1.00 H +ATOM 1602 HH12 ARG A 104 -17.020 11.969 -1.481 1.00 1.00 H +ATOM 1603 HH21 ARG A 104 -19.924 10.405 -0.246 1.00 1.00 H +ATOM 1604 HH22 ARG A 104 -19.303 11.769 -1.112 1.00 1.00 H +ATOM 1605 N GLY A 105 -17.735 5.101 -1.577 1.00 1.00 N +ATOM 1606 CA GLY A 105 -18.962 4.335 -1.445 1.00 1.00 C +ATOM 1607 C GLY A 105 -19.614 4.102 -2.810 1.00 1.00 C +ATOM 1608 O GLY A 105 -20.590 4.764 -3.157 1.00 1.00 O +ATOM 1609 H GLY A 105 -17.860 6.056 -1.847 1.00 1.00 H +ATOM 1610 HA2 GLY A 105 -18.748 3.377 -0.971 1.00 1.00 H +ATOM 1611 HA3 GLY A 105 -19.657 4.865 -0.792 1.00 1.00 H +ATOM 1612 N ILE A 106 -19.047 3.158 -3.546 1.00 1.00 N +ATOM 1613 CA ILE A 106 -19.559 2.829 -4.865 1.00 1.00 C +ATOM 1614 C ILE A 106 -20.610 1.724 -4.738 1.00 1.00 C +ATOM 1615 O ILE A 106 -21.640 1.761 -5.409 1.00 1.00 O +ATOM 1616 CB ILE A 106 -18.411 2.480 -5.815 1.00 1.00 C +ATOM 1617 CG1 ILE A 106 -18.938 2.139 -7.210 1.00 1.00 C +ATOM 1618 CG2 ILE A 106 -17.545 1.357 -5.239 1.00 1.00 C +ATOM 1619 CD1 ILE A 106 -19.423 0.690 -7.274 1.00 1.00 C +ATOM 1620 H ILE A 106 -18.252 2.624 -3.256 1.00 1.00 H +ATOM 1621 HA ILE A 106 -20.043 3.722 -5.260 1.00 1.00 H +ATOM 1622 HB ILE A 106 -17.774 3.357 -5.916 1.00 1.00 H +ATOM 1623 HG12 ILE A 106 -19.756 2.811 -7.467 1.00 1.00 H +ATOM 1624 HG13 ILE A 106 -18.152 2.297 -7.948 1.00 1.00 H +ATOM 1625 HG21 ILE A 106 -18.185 0.605 -4.777 1.00 1.00 H +ATOM 1626 HG22 ILE A 106 -16.966 0.898 -6.040 1.00 1.00 H +ATOM 1627 HG23 ILE A 106 -16.868 1.768 -4.490 1.00 1.00 H +ATOM 1628 HD11 ILE A 106 -19.444 0.269 -6.269 1.00 1.00 H +ATOM 1629 HD12 ILE A 106 -20.425 0.660 -7.702 1.00 1.00 H +ATOM 1630 HD13 ILE A 106 -18.744 0.107 -7.897 1.00 1.00 H +ATOM 1631 N HIS A 107 -20.313 0.766 -3.872 1.00 1.00 N +ATOM 1632 CA HIS A 107 -21.218 -0.348 -3.648 1.00 1.00 C +ATOM 1633 C HIS A 107 -20.514 -1.425 -2.820 1.00 1.00 C +ATOM 1634 O HIS A 107 -19.400 -1.831 -3.143 1.00 1.00 O +ATOM 1635 CB HIS A 107 -21.761 -0.883 -4.976 1.00 1.00 C +ATOM 1636 CG HIS A 107 -23.256 -0.745 -5.129 1.00 1.00 C +ATOM 1637 ND1 HIS A 107 -24.087 -1.821 -5.385 1.00 1.00 N +ATOM 1638 CD2 HIS A 107 -24.062 0.354 -5.056 1.00 1.00 C +ATOM 1639 CE1 HIS A 107 -25.333 -1.380 -5.464 1.00 1.00 C +ATOM 1640 NE2 HIS A 107 -25.316 -0.031 -5.260 1.00 1.00 N +ATOM 1641 H HIS A 107 -19.473 0.742 -3.330 1.00 1.00 H +ATOM 1642 HA HIS A 107 -22.061 0.043 -3.079 1.00 1.00 H +ATOM 1643 HB2 HIS A 107 -21.272 -0.355 -5.795 1.00 1.00 H +ATOM 1644 HB3 HIS A 107 -21.492 -1.935 -5.069 1.00 1.00 H +ATOM 1645 HD1 HIS A 107 -23.795 -2.772 -5.494 1.00 1.00 H +ATOM 1646 HD2 HIS A 107 -23.731 1.374 -4.864 1.00 1.00 H +ATOM 1647 HE1 HIS A 107 -26.217 -1.987 -5.657 1.00 1.00 H +ATOM 1648 N ARG A 108 -21.194 -1.854 -1.766 1.00 1.00 N +ATOM 1649 CA ARG A 108 -20.648 -2.875 -0.889 1.00 1.00 C +ATOM 1650 C ARG A 108 -21.607 -3.146 0.272 1.00 1.00 C +ATOM 1651 O ARG A 108 -21.332 -2.768 1.410 1.00 1.00 O +ATOM 1652 CB ARG A 108 -19.288 -2.450 -0.329 1.00 1.00 C +ATOM 1653 CG ARG A 108 -19.372 -1.071 0.328 1.00 1.00 C +ATOM 1654 CD ARG A 108 -19.024 0.034 -0.670 1.00 1.00 C +ATOM 1655 NE ARG A 108 -18.368 1.162 0.030 1.00 1.00 N +ATOM 1656 CZ ARG A 108 -18.980 1.942 0.932 1.00 1.00 C +ATOM 1657 NH1 ARG A 108 -20.263 1.723 1.247 1.00 1.00 N +ATOM 1658 NH2 ARG A 108 -18.307 2.942 1.518 1.00 1.00 N +ATOM 1659 H ARG A 108 -22.100 -1.517 -1.510 1.00 1.00 H +ATOM 1660 HA ARG A 108 -20.537 -3.756 -1.521 1.00 1.00 H +ATOM 1661 HB2 ARG A 108 -18.945 -3.184 0.400 1.00 1.00 H +ATOM 1662 HB3 ARG A 108 -18.551 -2.429 -1.132 1.00 1.00 H +ATOM 1663 HG2 ARG A 108 -20.378 -0.910 0.717 1.00 1.00 H +ATOM 1664 HG3 ARG A 108 -18.691 -1.027 1.178 1.00 1.00 H +ATOM 1665 HD2 ARG A 108 -18.362 -0.358 -1.444 1.00 1.00 H +ATOM 1666 HD3 ARG A 108 -19.927 0.383 -1.171 1.00 1.00 H +ATOM 1667 HE ARG A 108 -17.410 1.352 -0.181 1.00 1.00 H +ATOM 1668 HH11 ARG A 108 -20.765 0.978 0.811 1.00 1.00 H +ATOM 1669 HH12 ARG A 108 -20.719 2.306 1.921 1.00 1.00 H +ATOM 1670 HH21 ARG A 108 -17.348 3.105 1.283 1.00 1.00 H +ATOM 1671 HH22 ARG A 108 -18.763 3.525 2.191 1.00 1.00 H +ATOM 1672 N ASP A 109 -22.713 -3.797 -0.056 1.00 1.00 N +ATOM 1673 CA ASP A 109 -23.714 -4.123 0.944 1.00 1.00 C +ATOM 1674 C ASP A 109 -24.243 -2.831 1.571 1.00 1.00 C +ATOM 1675 O ASP A 109 -23.690 -1.765 1.224 1.00 1.00 O +ATOM 1676 CB ASP A 109 -23.117 -4.981 2.063 1.00 1.00 C +ATOM 1677 CG ASP A 109 -23.871 -4.924 3.393 1.00 1.00 C +ATOM 1678 OD1 ASP A 109 -25.036 -5.475 3.383 1.00 1.00 O +ATOM 1679 OD2 ASP A 109 -23.368 -4.382 4.389 1.00 1.00 O +ATOM 1680 OXT ASP A 109 -25.170 -2.863 2.378 1.00 1.00 O +ATOM 1681 H ASP A 109 -22.929 -4.100 -0.984 1.00 1.00 H +ATOM 1682 HA ASP A 109 -24.488 -4.673 0.408 1.00 1.00 H +ATOM 1683 HB2 ASP A 109 -23.083 -6.017 1.726 1.00 1.00 H +ATOM 1684 HB3 ASP A 109 -22.088 -4.666 2.231 1.00 1.00 H +TER 1685 ASP A 109 +ENDMDL +MODEL 2 +ATOM 1 N GLY A 1 -12.301 -1.087 1.440 1.00 1.00 N +ATOM 2 CA GLY A 1 -12.028 -1.646 0.126 1.00 1.00 C +ATOM 3 C GLY A 1 -11.475 -0.579 -0.821 1.00 1.00 C +ATOM 4 O GLY A 1 -11.210 0.547 -0.405 1.00 1.00 O +ATOM 5 H1 GLY A 1 -11.478 -0.598 1.776 1.00 1.00 H +ATOM 6 H2 GLY A 1 -13.077 -0.437 1.375 1.00 1.00 H +ATOM 7 H3 GLY A 1 -12.537 -1.833 2.083 1.00 1.00 H +ATOM 8 HA2 GLY A 1 -11.312 -2.463 0.217 1.00 1.00 H +ATOM 9 HA3 GLY A 1 -12.942 -2.070 -0.289 1.00 1.00 H +ATOM 10 N SER A 2 -11.320 -0.972 -2.077 1.00 1.00 N +ATOM 11 CA SER A 2 -10.804 -0.064 -3.086 1.00 1.00 C +ATOM 12 C SER A 2 -9.349 0.291 -2.777 1.00 1.00 C +ATOM 13 O SER A 2 -8.443 -0.078 -3.523 1.00 1.00 O +ATOM 14 CB SER A 2 -11.654 1.206 -3.172 1.00 1.00 C +ATOM 15 OG SER A 2 -12.907 0.968 -3.807 1.00 1.00 O +ATOM 16 H SER A 2 -11.538 -1.891 -2.406 1.00 1.00 H +ATOM 17 HA SER A 2 -10.872 -0.609 -4.028 1.00 1.00 H +ATOM 18 HB2 SER A 2 -11.826 1.595 -2.167 1.00 1.00 H +ATOM 19 HB3 SER A 2 -11.108 1.972 -3.720 1.00 1.00 H +ATOM 20 HG SER A 2 -12.976 0.008 -4.080 1.00 1.00 H +ATOM 21 N GLY A 3 -9.169 1.005 -1.674 1.00 1.00 N +ATOM 22 CA GLY A 3 -7.838 1.414 -1.257 1.00 1.00 C +ATOM 23 C GLY A 3 -6.846 0.255 -1.371 1.00 1.00 C +ATOM 24 O GLY A 3 -7.169 -0.880 -1.021 1.00 1.00 O +ATOM 25 H GLY A 3 -9.910 1.302 -1.073 1.00 1.00 H +ATOM 26 HA2 GLY A 3 -7.501 2.249 -1.871 1.00 1.00 H +ATOM 27 HA3 GLY A 3 -7.871 1.769 -0.227 1.00 1.00 H +ATOM 28 N ASN A 4 -5.660 0.579 -1.863 1.00 1.00 N +ATOM 29 CA ASN A 4 -4.619 -0.420 -2.029 1.00 1.00 C +ATOM 30 C ASN A 4 -3.249 0.255 -1.929 1.00 1.00 C +ATOM 31 O ASN A 4 -2.410 -0.151 -1.128 1.00 1.00 O +ATOM 32 CB ASN A 4 -4.715 -1.095 -3.398 1.00 1.00 C +ATOM 33 CG ASN A 4 -3.651 -2.183 -3.550 1.00 1.00 C +ATOM 34 OD1 ASN A 4 -2.474 -1.973 -3.309 1.00 1.00 O +ATOM 35 ND2 ASN A 4 -4.128 -3.354 -3.963 1.00 1.00 N +ATOM 36 H ASN A 4 -5.406 1.506 -2.144 1.00 1.00 H +ATOM 37 HA ASN A 4 -4.787 -1.143 -1.230 1.00 1.00 H +ATOM 38 HB2 ASN A 4 -5.707 -1.531 -3.523 1.00 1.00 H +ATOM 39 HB3 ASN A 4 -4.595 -0.349 -4.184 1.00 1.00 H +ATOM 40 HD21 ASN A 4 -5.107 -3.459 -4.144 1.00 1.00 H +ATOM 41 HD22 ASN A 4 -3.510 -4.128 -4.093 1.00 1.00 H +ATOM 42 N SER A 5 -3.067 1.274 -2.756 1.00 1.00 N +ATOM 43 CA SER A 5 -1.813 2.009 -2.773 1.00 1.00 C +ATOM 44 C SER A 5 -1.983 3.348 -2.051 1.00 1.00 C +ATOM 45 O SER A 5 -1.519 4.379 -2.534 1.00 1.00 O +ATOM 46 CB SER A 5 -1.325 2.236 -4.205 1.00 1.00 C +ATOM 47 OG SER A 5 -2.352 2.762 -5.040 1.00 1.00 O +ATOM 48 H SER A 5 -3.755 1.597 -3.405 1.00 1.00 H +ATOM 49 HA SER A 5 -1.102 1.377 -2.243 1.00 1.00 H +ATOM 50 HB2 SER A 5 -0.477 2.920 -4.195 1.00 1.00 H +ATOM 51 HB3 SER A 5 -0.969 1.293 -4.619 1.00 1.00 H +ATOM 52 HG SER A 5 -2.016 3.570 -5.527 1.00 1.00 H +ATOM 53 N LEU A 6 -2.648 3.287 -0.907 1.00 1.00 N +ATOM 54 CA LEU A 6 -2.884 4.483 -0.114 1.00 1.00 C +ATOM 55 C LEU A 6 -3.750 5.458 -0.916 1.00 1.00 C +ATOM 56 O LEU A 6 -3.617 5.553 -2.135 1.00 1.00 O +ATOM 57 CB LEU A 6 -1.558 5.083 0.358 1.00 1.00 C +ATOM 58 CG LEU A 6 -1.026 4.563 1.695 1.00 1.00 C +ATOM 59 CD1 LEU A 6 -1.997 4.884 2.834 1.00 1.00 C +ATOM 60 CD2 LEU A 6 -0.710 3.068 1.616 1.00 1.00 C +ATOM 61 H LEU A 6 -3.021 2.444 -0.522 1.00 1.00 H +ATOM 62 HA LEU A 6 -3.437 4.180 0.775 1.00 1.00 H +ATOM 63 HB2 LEU A 6 -0.805 4.896 -0.407 1.00 1.00 H +ATOM 64 HB3 LEU A 6 -1.677 6.163 0.431 1.00 1.00 H +ATOM 65 HG LEU A 6 -0.091 5.079 1.914 1.00 1.00 H +ATOM 66 HD11 LEU A 6 -2.582 5.766 2.574 1.00 1.00 H +ATOM 67 HD12 LEU A 6 -2.665 4.037 2.990 1.00 1.00 H +ATOM 68 HD13 LEU A 6 -1.433 5.077 3.747 1.00 1.00 H +ATOM 69 HD21 LEU A 6 -0.128 2.867 0.717 1.00 1.00 H +ATOM 70 HD22 LEU A 6 -0.136 2.772 2.494 1.00 1.00 H +ATOM 71 HD23 LEU A 6 -1.640 2.501 1.581 1.00 1.00 H +ATOM 72 N GLU A 7 -4.616 6.156 -0.199 1.00 1.00 N +ATOM 73 CA GLU A 7 -5.502 7.120 -0.827 1.00 1.00 C +ATOM 74 C GLU A 7 -4.734 8.394 -1.185 1.00 1.00 C +ATOM 75 O GLU A 7 -4.973 9.452 -0.604 1.00 1.00 O +ATOM 76 CB GLU A 7 -6.697 7.437 0.076 1.00 1.00 C +ATOM 77 CG GLU A 7 -8.001 6.932 -0.544 1.00 1.00 C +ATOM 78 CD GLU A 7 -9.206 7.685 0.023 1.00 1.00 C +ATOM 79 OE1 GLU A 7 -9.205 8.957 -0.191 1.00 1.00 O +ATOM 80 OE2 GLU A 7 -10.090 7.068 0.637 1.00 1.00 O +ATOM 81 H GLU A 7 -4.717 6.074 0.793 1.00 1.00 H +ATOM 82 HA GLU A 7 -5.860 6.637 -1.735 1.00 1.00 H +ATOM 83 HB2 GLU A 7 -6.551 6.975 1.053 1.00 1.00 H +ATOM 84 HB3 GLU A 7 -6.760 8.513 0.238 1.00 1.00 H +ATOM 85 HG2 GLU A 7 -7.967 7.058 -1.626 1.00 1.00 H +ATOM 86 HG3 GLU A 7 -8.111 5.864 -0.350 1.00 1.00 H +ATOM 87 N LYS A 8 -3.826 8.251 -2.140 1.00 1.00 N +ATOM 88 CA LYS A 8 -3.021 9.377 -2.582 1.00 1.00 C +ATOM 89 C LYS A 8 -3.932 10.578 -2.840 1.00 1.00 C +ATOM 90 O LYS A 8 -4.310 11.286 -1.907 1.00 1.00 O +ATOM 91 CB LYS A 8 -2.167 8.982 -3.788 1.00 1.00 C +ATOM 92 CG LYS A 8 -0.787 9.639 -3.720 1.00 1.00 C +ATOM 93 CD LYS A 8 -0.844 11.089 -4.202 1.00 1.00 C +ATOM 94 CE LYS A 8 -0.514 12.059 -3.067 1.00 1.00 C +ATOM 95 NZ LYS A 8 0.948 12.272 -2.977 1.00 1.00 N +ATOM 96 H LYS A 8 -3.638 7.387 -2.607 1.00 1.00 H +ATOM 97 HA LYS A 8 -2.338 9.627 -1.771 1.00 1.00 H +ATOM 98 HB2 LYS A 8 -2.056 7.899 -3.823 1.00 1.00 H +ATOM 99 HB3 LYS A 8 -2.671 9.281 -4.708 1.00 1.00 H +ATOM 100 HG2 LYS A 8 -0.416 9.607 -2.696 1.00 1.00 H +ATOM 101 HG3 LYS A 8 -0.082 9.076 -4.332 1.00 1.00 H +ATOM 102 HD2 LYS A 8 -0.140 11.231 -5.023 1.00 1.00 H +ATOM 103 HD3 LYS A 8 -1.837 11.306 -4.594 1.00 1.00 H +ATOM 104 HE2 LYS A 8 -1.016 13.011 -3.236 1.00 1.00 H +ATOM 105 HE3 LYS A 8 -0.889 11.664 -2.124 1.00 1.00 H +ATOM 106 HZ1 LYS A 8 1.346 12.275 -3.904 1.00 1.00 H +ATOM 107 HZ2 LYS A 8 1.131 13.159 -2.529 1.00 1.00 H +ATOM 108 HZ3 LYS A 8 1.405 11.546 -2.438 1.00 1.00 H +ATOM 109 N HIS A 9 -4.256 10.774 -4.110 1.00 1.00 N +ATOM 110 CA HIS A 9 -5.114 11.879 -4.502 1.00 1.00 C +ATOM 111 C HIS A 9 -6.581 11.480 -4.316 1.00 1.00 C +ATOM 112 O HIS A 9 -6.880 10.328 -4.006 1.00 1.00 O +ATOM 113 CB HIS A 9 -4.800 12.332 -5.927 1.00 1.00 C +ATOM 114 CG HIS A 9 -3.612 13.259 -6.030 1.00 1.00 C +ATOM 115 ND1 HIS A 9 -2.675 13.389 -5.020 1.00 1.00 N +ATOM 116 CD2 HIS A 9 -3.219 14.096 -7.032 1.00 1.00 C +ATOM 117 CE1 HIS A 9 -1.763 14.270 -5.407 1.00 1.00 C +ATOM 118 NE2 HIS A 9 -2.102 14.707 -6.654 1.00 1.00 N +ATOM 119 H HIS A 9 -3.944 10.194 -4.861 1.00 1.00 H +ATOM 120 HA HIS A 9 -4.884 12.707 -3.831 1.00 1.00 H +ATOM 121 HB2 HIS A 9 -4.615 11.452 -6.545 1.00 1.00 H +ATOM 122 HB3 HIS A 9 -5.675 12.833 -6.341 1.00 1.00 H +ATOM 123 HD1 HIS A 9 -2.683 12.903 -4.146 1.00 1.00 H +ATOM 124 HD2 HIS A 9 -3.734 14.239 -7.981 1.00 1.00 H +ATOM 125 HE1 HIS A 9 -0.895 14.589 -4.830 1.00 1.00 H +ATOM 126 N SER A 10 -7.454 12.456 -4.513 1.00 1.00 N +ATOM 127 CA SER A 10 -8.882 12.222 -4.371 1.00 1.00 C +ATOM 128 C SER A 10 -9.443 11.619 -5.660 1.00 1.00 C +ATOM 129 O SER A 10 -10.607 11.837 -5.997 1.00 1.00 O +ATOM 130 CB SER A 10 -9.621 13.516 -4.025 1.00 1.00 C +ATOM 131 OG SER A 10 -9.781 13.679 -2.619 1.00 1.00 O +ATOM 132 H SER A 10 -7.203 13.391 -4.765 1.00 1.00 H +ATOM 133 HA SER A 10 -8.979 11.517 -3.545 1.00 1.00 H +ATOM 134 HB2 SER A 10 -9.072 14.366 -4.429 1.00 1.00 H +ATOM 135 HB3 SER A 10 -10.600 13.513 -4.503 1.00 1.00 H +ATOM 136 HG SER A 10 -9.450 14.582 -2.339 1.00 1.00 H +ATOM 137 N TRP A 11 -8.592 10.870 -6.346 1.00 1.00 N +ATOM 138 CA TRP A 11 -8.989 10.235 -7.590 1.00 1.00 C +ATOM 139 C TRP A 11 -8.217 8.919 -7.717 1.00 1.00 C +ATOM 140 O TRP A 11 -8.292 8.247 -8.743 1.00 1.00 O +ATOM 141 CB TRP A 11 -8.771 11.171 -8.780 1.00 1.00 C +ATOM 142 CG TRP A 11 -7.418 11.888 -8.767 1.00 1.00 C +ATOM 143 CD1 TRP A 11 -7.183 13.202 -8.649 1.00 1.00 C +ATOM 144 CD2 TRP A 11 -6.118 11.273 -8.882 1.00 1.00 C +ATOM 145 NE1 TRP A 11 -5.831 13.478 -8.680 1.00 1.00 N +ATOM 146 CE2 TRP A 11 -5.163 12.269 -8.825 1.00 1.00 C +ATOM 147 CE3 TRP A 11 -5.760 9.922 -9.029 1.00 1.00 C +ATOM 148 CZ2 TRP A 11 -3.788 12.016 -8.909 1.00 1.00 C +ATOM 149 CZ3 TRP A 11 -4.383 9.687 -9.111 1.00 1.00 C +ATOM 150 CH2 TRP A 11 -3.408 10.677 -9.055 1.00 1.00 C +ATOM 151 H TRP A 11 -7.648 10.698 -6.065 1.00 1.00 H +ATOM 152 HA TRP A 11 -10.059 10.035 -7.536 1.00 1.00 H +ATOM 153 HB2 TRP A 11 -8.857 10.597 -9.702 1.00 1.00 H +ATOM 154 HB3 TRP A 11 -9.566 11.918 -8.793 1.00 1.00 H +ATOM 155 HD1 TRP A 11 -7.960 13.958 -8.542 1.00 1.00 H +ATOM 156 HE1 TRP A 11 -5.371 14.463 -8.604 1.00 1.00 H +ATOM 157 HE3 TRP A 11 -6.495 9.119 -9.077 1.00 1.00 H +ATOM 158 HZ2 TRP A 11 -3.053 12.819 -8.861 1.00 1.00 H +ATOM 159 HZ3 TRP A 11 -4.051 8.655 -9.225 1.00 1.00 H +ATOM 160 HH2 TRP A 11 -2.354 10.411 -9.126 1.00 1.00 H +ATOM 161 N TYR A 12 -7.492 8.593 -6.657 1.00 1.00 N +ATOM 162 CA TYR A 12 -6.706 7.369 -6.636 1.00 1.00 C +ATOM 163 C TYR A 12 -7.098 6.487 -5.449 1.00 1.00 C +ATOM 164 O TYR A 12 -6.888 6.863 -4.296 1.00 1.00 O +ATOM 165 CB TYR A 12 -5.249 7.808 -6.473 1.00 1.00 C +ATOM 166 CG TYR A 12 -4.230 6.732 -6.859 1.00 1.00 C +ATOM 167 CD1 TYR A 12 -4.576 5.746 -7.758 1.00 1.00 C +ATOM 168 CD2 TYR A 12 -2.966 6.752 -6.306 1.00 1.00 C +ATOM 169 CE1 TYR A 12 -3.617 4.734 -8.121 1.00 1.00 C +ATOM 170 CE2 TYR A 12 -2.006 5.741 -6.669 1.00 1.00 C +ATOM 171 CZ TYR A 12 -2.379 4.781 -7.559 1.00 1.00 C +ATOM 172 OH TYR A 12 -1.474 3.827 -7.901 1.00 1.00 O +ATOM 173 H TYR A 12 -7.435 9.145 -5.825 1.00 1.00 H +ATOM 174 HA TYR A 12 -6.902 6.828 -7.561 1.00 1.00 H +ATOM 175 HB2 TYR A 12 -5.076 8.693 -7.083 1.00 1.00 H +ATOM 176 HB3 TYR A 12 -5.082 8.097 -5.435 1.00 1.00 H +ATOM 177 HD1 TYR A 12 -5.576 5.731 -8.194 1.00 1.00 H +ATOM 178 HD2 TYR A 12 -2.692 7.531 -5.595 1.00 1.00 H +ATOM 179 HE1 TYR A 12 -3.877 3.949 -8.831 1.00 1.00 H +ATOM 180 HE2 TYR A 12 -1.004 5.744 -6.241 1.00 1.00 H +ATOM 181 HH TYR A 12 -1.318 3.843 -8.889 1.00 1.00 H +ATOM 182 N HIS A 13 -7.659 5.330 -5.771 1.00 1.00 N +ATOM 183 CA HIS A 13 -8.080 4.392 -4.746 1.00 1.00 C +ATOM 184 C HIS A 13 -7.310 3.081 -4.903 1.00 1.00 C +ATOM 185 O HIS A 13 -7.696 2.058 -4.338 1.00 1.00 O +ATOM 186 CB HIS A 13 -9.598 4.197 -4.779 1.00 1.00 C +ATOM 187 CG HIS A 13 -10.261 4.753 -6.016 1.00 1.00 C +ATOM 188 ND1 HIS A 13 -11.015 3.975 -6.877 1.00 1.00 N +ATOM 189 CD2 HIS A 13 -10.277 6.017 -6.527 1.00 1.00 C +ATOM 190 CE1 HIS A 13 -11.459 4.747 -7.858 1.00 1.00 C +ATOM 191 NE2 HIS A 13 -10.999 6.013 -7.640 1.00 1.00 N +ATOM 192 H HIS A 13 -7.824 5.033 -6.711 1.00 1.00 H +ATOM 193 HA HIS A 13 -7.824 4.842 -3.786 1.00 1.00 H +ATOM 194 HB2 HIS A 13 -9.817 3.132 -4.708 1.00 1.00 H +ATOM 195 HB3 HIS A 13 -10.034 4.671 -3.900 1.00 1.00 H +ATOM 196 HD1 HIS A 13 -11.195 2.996 -6.775 1.00 1.00 H +ATOM 197 HD2 HIS A 13 -9.779 6.886 -6.094 1.00 1.00 H +ATOM 198 HE1 HIS A 13 -12.082 4.427 -8.693 1.00 1.00 H +ATOM 199 N GLY A 14 -6.235 3.151 -5.674 1.00 1.00 N +ATOM 200 CA GLY A 14 -5.407 1.981 -5.912 1.00 1.00 C +ATOM 201 C GLY A 14 -5.423 1.590 -7.392 1.00 1.00 C +ATOM 202 O GLY A 14 -6.147 2.187 -8.187 1.00 1.00 O +ATOM 203 H GLY A 14 -5.927 3.986 -6.129 1.00 1.00 H +ATOM 204 HA2 GLY A 14 -4.383 2.185 -5.598 1.00 1.00 H +ATOM 205 HA3 GLY A 14 -5.766 1.148 -5.308 1.00 1.00 H +ATOM 206 N PRO A 15 -4.595 0.564 -7.724 1.00 1.00 N +ATOM 207 CA PRO A 15 -4.508 0.086 -9.094 1.00 1.00 C +ATOM 208 C PRO A 15 -5.739 -0.742 -9.465 1.00 1.00 C +ATOM 209 O PRO A 15 -6.052 -1.727 -8.800 1.00 1.00 O +ATOM 210 CB PRO A 15 -3.215 -0.712 -9.150 1.00 1.00 C +ATOM 211 CG PRO A 15 -2.866 -1.042 -7.707 1.00 1.00 C +ATOM 212 CD PRO A 15 -3.723 -0.166 -6.809 1.00 1.00 C +ATOM 213 HA PRO A 15 -4.494 0.858 -9.730 1.00 1.00 H +ATOM 214 HB2 PRO A 15 -3.343 -1.620 -9.739 1.00 1.00 H +ATOM 215 HB3 PRO A 15 -2.420 -0.136 -9.622 1.00 1.00 H +ATOM 216 HG2 PRO A 15 -3.050 -2.096 -7.503 1.00 1.00 H +ATOM 217 HG3 PRO A 15 -1.807 -0.861 -7.521 1.00 1.00 H +ATOM 218 HD2 PRO A 15 -4.300 -0.765 -6.106 1.00 1.00 H +ATOM 219 HD3 PRO A 15 -3.109 0.515 -6.219 1.00 1.00 H +ATOM 220 N VAL A 16 -6.404 -0.310 -10.527 1.00 1.00 N +ATOM 221 CA VAL A 16 -7.594 -0.999 -10.995 1.00 1.00 C +ATOM 222 C VAL A 16 -7.397 -1.415 -12.455 1.00 1.00 C +ATOM 223 O VAL A 16 -6.661 -0.764 -13.196 1.00 1.00 O +ATOM 224 CB VAL A 16 -8.826 -0.117 -10.786 1.00 1.00 C +ATOM 225 CG1 VAL A 16 -10.054 -0.716 -11.476 1.00 1.00 C +ATOM 226 CG2 VAL A 16 -9.091 0.110 -9.296 1.00 1.00 C +ATOM 227 H VAL A 16 -6.143 0.492 -11.064 1.00 1.00 H +ATOM 228 HA VAL A 16 -7.714 -1.897 -10.388 1.00 1.00 H +ATOM 229 HB VAL A 16 -8.625 0.853 -11.240 1.00 1.00 H +ATOM 230 HG11 VAL A 16 -9.985 -1.805 -11.460 1.00 1.00 H +ATOM 231 HG12 VAL A 16 -10.955 -0.401 -10.951 1.00 1.00 H +ATOM 232 HG13 VAL A 16 -10.094 -0.371 -12.509 1.00 1.00 H +ATOM 233 HG21 VAL A 16 -9.169 -0.853 -8.791 1.00 1.00 H +ATOM 234 HG22 VAL A 16 -8.271 0.682 -8.864 1.00 1.00 H +ATOM 235 HG23 VAL A 16 -10.024 0.660 -9.172 1.00 1.00 H +ATOM 236 N SER A 17 -8.068 -2.496 -12.825 1.00 1.00 N +ATOM 237 CA SER A 17 -7.976 -3.004 -14.183 1.00 1.00 C +ATOM 238 C SER A 17 -8.760 -2.100 -15.134 1.00 1.00 C +ATOM 239 O SER A 17 -9.765 -1.505 -14.746 1.00 1.00 O +ATOM 240 CB SER A 17 -8.494 -4.441 -14.269 1.00 1.00 C +ATOM 241 OG SER A 17 -8.571 -4.902 -15.614 1.00 1.00 O +ATOM 242 H SER A 17 -8.665 -3.019 -12.217 1.00 1.00 H +ATOM 243 HA SER A 17 -6.914 -2.986 -14.426 1.00 1.00 H +ATOM 244 HB2 SER A 17 -7.837 -5.099 -13.698 1.00 1.00 H +ATOM 245 HB3 SER A 17 -9.481 -4.500 -13.808 1.00 1.00 H +ATOM 246 HG SER A 17 -7.813 -5.526 -15.807 1.00 1.00 H +ATOM 247 N ARG A 18 -8.274 -2.025 -16.365 1.00 1.00 N +ATOM 248 CA ARG A 18 -8.917 -1.203 -17.376 1.00 1.00 C +ATOM 249 C ARG A 18 -10.411 -1.523 -17.449 1.00 1.00 C +ATOM 250 O ARG A 18 -11.234 -0.623 -17.610 1.00 1.00 O +ATOM 251 CB ARG A 18 -8.287 -1.429 -18.752 1.00 1.00 C +ATOM 252 CG ARG A 18 -9.199 -2.278 -19.640 1.00 1.00 C +ATOM 253 CD ARG A 18 -8.549 -2.545 -20.999 1.00 1.00 C +ATOM 254 NE ARG A 18 -7.534 -3.615 -20.873 1.00 1.00 N +ATOM 255 CZ ARG A 18 -6.423 -3.688 -21.617 1.00 1.00 C +ATOM 256 NH1 ARG A 18 -6.176 -2.753 -22.546 1.00 1.00 N +ATOM 257 NH2 ARG A 18 -5.558 -4.695 -21.434 1.00 1.00 N +ATOM 258 H ARG A 18 -7.456 -2.512 -16.674 1.00 1.00 H +ATOM 259 HA ARG A 18 -8.750 -0.177 -17.048 1.00 1.00 H +ATOM 260 HB2 ARG A 18 -8.098 -0.469 -19.232 1.00 1.00 H +ATOM 261 HB3 ARG A 18 -7.322 -1.924 -18.638 1.00 1.00 H +ATOM 262 HG2 ARG A 18 -9.416 -3.225 -19.144 1.00 1.00 H +ATOM 263 HG3 ARG A 18 -10.152 -1.768 -19.782 1.00 1.00 H +ATOM 264 HD2 ARG A 18 -9.309 -2.836 -21.724 1.00 1.00 H +ATOM 265 HD3 ARG A 18 -8.084 -1.633 -21.374 1.00 1.00 H +ATOM 266 HE ARG A 18 -7.687 -4.328 -20.189 1.00 1.00 H +ATOM 267 HH11 ARG A 18 -6.822 -2.002 -22.683 1.00 1.00 H +ATOM 268 HH12 ARG A 18 -5.346 -2.808 -23.102 1.00 1.00 H +ATOM 269 HH21 ARG A 18 -5.741 -5.391 -20.742 1.00 1.00 H +ATOM 270 HH22 ARG A 18 -4.728 -4.749 -21.990 1.00 1.00 H +ATOM 271 N ASN A 19 -10.716 -2.806 -17.323 1.00 1.00 N +ATOM 272 CA ASN A 19 -12.097 -3.256 -17.371 1.00 1.00 C +ATOM 273 C ASN A 19 -12.932 -2.433 -16.387 1.00 1.00 C +ATOM 274 O ASN A 19 -13.847 -1.717 -16.790 1.00 1.00 O +ATOM 275 CB ASN A 19 -12.211 -4.728 -16.974 1.00 1.00 C +ATOM 276 CG ASN A 19 -11.934 -5.642 -18.169 1.00 1.00 C +ATOM 277 OD1 ASN A 19 -12.834 -6.109 -18.849 1.00 1.00 O +ATOM 278 ND2 ASN A 19 -10.643 -5.870 -18.387 1.00 1.00 N +ATOM 279 H ASN A 19 -10.040 -3.531 -17.191 1.00 1.00 H +ATOM 280 HA ASN A 19 -12.410 -3.110 -18.406 1.00 1.00 H +ATOM 281 HB2 ASN A 19 -11.506 -4.948 -16.172 1.00 1.00 H +ATOM 282 HB3 ASN A 19 -13.209 -4.926 -16.584 1.00 1.00 H +ATOM 283 HD21 ASN A 19 -9.953 -5.456 -17.792 1.00 1.00 H +ATOM 284 HD22 ASN A 19 -10.360 -6.456 -19.147 1.00 1.00 H +ATOM 285 N ALA A 20 -12.585 -2.563 -15.116 1.00 1.00 N +ATOM 286 CA ALA A 20 -13.290 -1.841 -14.069 1.00 1.00 C +ATOM 287 C ALA A 20 -13.107 -0.337 -14.283 1.00 1.00 C +ATOM 288 O ALA A 20 -14.044 0.439 -14.093 1.00 1.00 O +ATOM 289 CB ALA A 20 -12.786 -2.303 -12.701 1.00 1.00 C +ATOM 290 H ALA A 20 -11.839 -3.147 -14.796 1.00 1.00 H +ATOM 291 HA ALA A 20 -14.349 -2.085 -14.154 1.00 1.00 H +ATOM 292 HB1 ALA A 20 -12.204 -3.218 -12.817 1.00 1.00 H +ATOM 293 HB2 ALA A 20 -12.157 -1.527 -12.264 1.00 1.00 H +ATOM 294 HB3 ALA A 20 -13.636 -2.494 -12.045 1.00 1.00 H +ATOM 295 N ALA A 21 -11.894 0.030 -14.670 1.00 1.00 N +ATOM 296 CA ALA A 21 -11.577 1.427 -14.910 1.00 1.00 C +ATOM 297 C ALA A 21 -12.681 2.058 -15.762 1.00 1.00 C +ATOM 298 O ALA A 21 -13.091 3.191 -15.512 1.00 1.00 O +ATOM 299 CB ALA A 21 -10.199 1.532 -15.569 1.00 1.00 C +ATOM 300 H ALA A 21 -11.139 -0.608 -14.821 1.00 1.00 H +ATOM 301 HA ALA A 21 -11.543 1.930 -13.944 1.00 1.00 H +ATOM 302 HB1 ALA A 21 -9.624 0.632 -15.353 1.00 1.00 H +ATOM 303 HB2 ALA A 21 -10.320 1.636 -16.647 1.00 1.00 H +ATOM 304 HB3 ALA A 21 -9.675 2.403 -15.177 1.00 1.00 H +ATOM 305 N GLU A 22 -13.129 1.297 -16.749 1.00 1.00 N +ATOM 306 CA GLU A 22 -14.178 1.767 -17.640 1.00 1.00 C +ATOM 307 C GLU A 22 -15.525 1.776 -16.915 1.00 1.00 C +ATOM 308 O GLU A 22 -16.358 2.648 -17.157 1.00 1.00 O +ATOM 309 CB GLU A 22 -14.242 0.915 -18.908 1.00 1.00 C +ATOM 310 CG GLU A 22 -13.426 1.547 -20.037 1.00 1.00 C +ATOM 311 CD GLU A 22 -14.228 1.584 -21.339 1.00 1.00 C +ATOM 312 OE1 GLU A 22 -15.117 2.457 -21.435 1.00 1.00 O +ATOM 313 OE2 GLU A 22 -13.932 0.737 -22.211 1.00 1.00 O +ATOM 314 H GLU A 22 -12.790 0.377 -16.945 1.00 1.00 H +ATOM 315 HA GLU A 22 -13.894 2.785 -17.907 1.00 1.00 H +ATOM 316 HB2 GLU A 22 -13.864 -0.086 -18.699 1.00 1.00 H +ATOM 317 HB3 GLU A 22 -15.280 0.804 -19.223 1.00 1.00 H +ATOM 318 HG2 GLU A 22 -13.135 2.561 -19.757 1.00 1.00 H +ATOM 319 HG3 GLU A 22 -12.506 0.982 -20.187 1.00 1.00 H +ATOM 320 N TYR A 23 -15.696 0.797 -16.040 1.00 1.00 N +ATOM 321 CA TYR A 23 -16.928 0.681 -15.279 1.00 1.00 C +ATOM 322 C TYR A 23 -16.980 1.721 -14.157 1.00 1.00 C +ATOM 323 O TYR A 23 -17.834 2.605 -14.165 1.00 1.00 O +ATOM 324 CB TYR A 23 -16.912 -0.718 -14.660 1.00 1.00 C +ATOM 325 CG TYR A 23 -18.175 -1.064 -13.870 1.00 1.00 C +ATOM 326 CD1 TYR A 23 -19.419 -0.869 -14.436 1.00 1.00 C +ATOM 327 CD2 TYR A 23 -18.072 -1.573 -12.590 1.00 1.00 C +ATOM 328 CE1 TYR A 23 -20.608 -1.195 -13.693 1.00 1.00 C +ATOM 329 CE2 TYR A 23 -19.262 -1.898 -11.847 1.00 1.00 C +ATOM 330 CZ TYR A 23 -20.471 -1.693 -12.435 1.00 1.00 C +ATOM 331 OH TYR A 23 -21.594 -2.001 -11.733 1.00 1.00 O +ATOM 332 H TYR A 23 -15.013 0.091 -15.848 1.00 1.00 H +ATOM 333 HA TYR A 23 -17.762 0.851 -15.960 1.00 1.00 H +ATOM 334 HB2 TYR A 23 -16.779 -1.455 -15.453 1.00 1.00 H +ATOM 335 HB3 TYR A 23 -16.048 -0.803 -13.999 1.00 1.00 H +ATOM 336 HD1 TYR A 23 -19.500 -0.469 -15.447 1.00 1.00 H +ATOM 337 HD2 TYR A 23 -17.090 -1.726 -12.143 1.00 1.00 H +ATOM 338 HE1 TYR A 23 -21.596 -1.046 -14.128 1.00 1.00 H +ATOM 339 HE2 TYR A 23 -19.194 -2.300 -10.836 1.00 1.00 H +ATOM 340 HH TYR A 23 -21.907 -2.920 -11.973 1.00 1.00 H +ATOM 341 N LEU A 24 -16.054 1.579 -13.220 1.00 1.00 N +ATOM 342 CA LEU A 24 -15.982 2.495 -12.095 1.00 1.00 C +ATOM 343 C LEU A 24 -15.936 3.932 -12.614 1.00 1.00 C +ATOM 344 O LEU A 24 -16.400 4.855 -11.944 1.00 1.00 O +ATOM 345 CB LEU A 24 -14.809 2.133 -11.181 1.00 1.00 C +ATOM 346 CG LEU A 24 -13.415 2.456 -11.723 1.00 1.00 C +ATOM 347 CD1 LEU A 24 -13.027 3.902 -11.411 1.00 1.00 C +ATOM 348 CD2 LEU A 24 -12.379 1.458 -11.199 1.00 1.00 C +ATOM 349 H LEU A 24 -15.363 0.857 -13.220 1.00 1.00 H +ATOM 350 HA LEU A 24 -16.895 2.367 -11.511 1.00 1.00 H +ATOM 351 HB2 LEU A 24 -14.938 2.653 -10.232 1.00 1.00 H +ATOM 352 HB3 LEU A 24 -14.857 1.065 -10.968 1.00 1.00 H +ATOM 353 HG LEU A 24 -13.437 2.355 -12.808 1.00 1.00 H +ATOM 354 HD11 LEU A 24 -13.252 4.122 -10.367 1.00 1.00 H +ATOM 355 HD12 LEU A 24 -11.960 4.039 -11.590 1.00 1.00 H +ATOM 356 HD13 LEU A 24 -13.593 4.576 -12.054 1.00 1.00 H +ATOM 357 HD21 LEU A 24 -12.890 0.591 -10.782 1.00 1.00 H +ATOM 358 HD22 LEU A 24 -11.734 1.142 -12.017 1.00 1.00 H +ATOM 359 HD23 LEU A 24 -11.778 1.934 -10.424 1.00 1.00 H +ATOM 360 N LEU A 25 -15.374 4.080 -13.805 1.00 1.00 N +ATOM 361 CA LEU A 25 -15.262 5.390 -14.423 1.00 1.00 C +ATOM 362 C LEU A 25 -16.637 6.058 -14.446 1.00 1.00 C +ATOM 363 O LEU A 25 -17.362 5.959 -15.435 1.00 1.00 O +ATOM 364 CB LEU A 25 -14.608 5.278 -15.802 1.00 1.00 C +ATOM 365 CG LEU A 25 -15.010 6.344 -16.823 1.00 1.00 C +ATOM 366 CD1 LEU A 25 -14.925 7.745 -16.216 1.00 1.00 C +ATOM 367 CD2 LEU A 25 -14.177 6.221 -18.101 1.00 1.00 C +ATOM 368 H LEU A 25 -15.000 3.325 -14.343 1.00 1.00 H +ATOM 369 HA LEU A 25 -14.596 5.990 -13.800 1.00 1.00 H +ATOM 370 HB2 LEU A 25 -13.526 5.315 -15.674 1.00 1.00 H +ATOM 371 HB3 LEU A 25 -14.847 4.298 -16.216 1.00 1.00 H +ATOM 372 HG LEU A 25 -16.051 6.175 -17.100 1.00 1.00 H +ATOM 373 HD11 LEU A 25 -14.200 7.745 -15.402 1.00 1.00 H +ATOM 374 HD12 LEU A 25 -14.611 8.455 -16.981 1.00 1.00 H +ATOM 375 HD13 LEU A 25 -15.903 8.035 -15.831 1.00 1.00 H +ATOM 376 HD21 LEU A 25 -13.119 6.315 -17.855 1.00 1.00 H +ATOM 377 HD22 LEU A 25 -14.358 5.248 -18.560 1.00 1.00 H +ATOM 378 HD23 LEU A 25 -14.460 7.010 -18.796 1.00 1.00 H +ATOM 379 N SER A 26 -16.956 6.724 -13.346 1.00 1.00 N +ATOM 380 CA SER A 26 -18.232 7.408 -13.228 1.00 1.00 C +ATOM 381 C SER A 26 -19.285 6.704 -14.088 1.00 1.00 C +ATOM 382 O SER A 26 -19.739 5.613 -13.750 1.00 1.00 O +ATOM 383 CB SER A 26 -18.109 8.877 -13.635 1.00 1.00 C +ATOM 384 OG SER A 26 -17.471 9.659 -12.630 1.00 1.00 O +ATOM 385 H SER A 26 -16.360 6.799 -12.546 1.00 1.00 H +ATOM 386 HA SER A 26 -18.496 7.345 -12.172 1.00 1.00 H +ATOM 387 HB2 SER A 26 -17.542 8.949 -14.564 1.00 1.00 H +ATOM 388 HB3 SER A 26 -19.101 9.282 -13.837 1.00 1.00 H +ATOM 389 HG SER A 26 -18.117 10.325 -12.254 1.00 1.00 H +ATOM 390 N SER A 27 -19.640 7.359 -15.184 1.00 1.00 N +ATOM 391 CA SER A 27 -20.631 6.809 -16.094 1.00 1.00 C +ATOM 392 C SER A 27 -20.925 7.811 -17.213 1.00 1.00 C +ATOM 393 O SER A 27 -22.058 7.909 -17.682 1.00 1.00 O +ATOM 394 CB SER A 27 -21.918 6.447 -15.354 1.00 1.00 C +ATOM 395 OG SER A 27 -21.983 5.058 -15.043 1.00 1.00 O +ATOM 396 H SER A 27 -19.266 8.246 -15.452 1.00 1.00 H +ATOM 397 HA SER A 27 -20.178 5.905 -16.501 1.00 1.00 H +ATOM 398 HB2 SER A 27 -21.984 7.027 -14.435 1.00 1.00 H +ATOM 399 HB3 SER A 27 -22.779 6.720 -15.966 1.00 1.00 H +ATOM 400 HG SER A 27 -22.854 4.846 -14.600 1.00 1.00 H +ATOM 401 N GLY A 28 -19.885 8.530 -17.609 1.00 1.00 N +ATOM 402 CA GLY A 28 -20.017 9.522 -18.663 1.00 1.00 C +ATOM 403 C GLY A 28 -20.095 10.934 -18.081 1.00 1.00 C +ATOM 404 O GLY A 28 -21.168 11.535 -18.044 1.00 1.00 O +ATOM 405 H GLY A 28 -18.966 8.445 -17.223 1.00 1.00 H +ATOM 406 HA2 GLY A 28 -19.169 9.451 -19.343 1.00 1.00 H +ATOM 407 HA3 GLY A 28 -20.912 9.315 -19.250 1.00 1.00 H +ATOM 408 N ILE A 29 -18.945 11.423 -17.642 1.00 1.00 N +ATOM 409 CA ILE A 29 -18.871 12.754 -17.064 1.00 1.00 C +ATOM 410 C ILE A 29 -18.241 13.712 -18.078 1.00 1.00 C +ATOM 411 O ILE A 29 -17.950 13.322 -19.207 1.00 1.00 O +ATOM 412 CB ILE A 29 -18.140 12.716 -15.720 1.00 1.00 C +ATOM 413 CG1 ILE A 29 -17.179 11.526 -15.653 1.00 1.00 C +ATOM 414 CG2 ILE A 29 -19.134 12.714 -14.556 1.00 1.00 C +ATOM 415 CD1 ILE A 29 -16.313 11.591 -14.393 1.00 1.00 C +ATOM 416 H ILE A 29 -18.077 10.929 -17.677 1.00 1.00 H +ATOM 417 HA ILE A 29 -19.892 13.083 -16.867 1.00 1.00 H +ATOM 418 HB ILE A 29 -17.542 13.620 -15.630 1.00 1.00 H +ATOM 419 HG12 ILE A 29 -17.745 10.595 -15.663 1.00 1.00 H +ATOM 420 HG13 ILE A 29 -16.540 11.521 -16.537 1.00 1.00 H +ATOM 421 HG21 ILE A 29 -20.040 13.244 -14.850 1.00 1.00 H +ATOM 422 HG22 ILE A 29 -19.384 11.685 -14.293 1.00 1.00 H +ATOM 423 HG23 ILE A 29 -18.686 13.210 -13.696 1.00 1.00 H +ATOM 424 HD11 ILE A 29 -16.870 12.086 -13.597 1.00 1.00 H +ATOM 425 HD12 ILE A 29 -16.053 10.581 -14.079 1.00 1.00 H +ATOM 426 HD13 ILE A 29 -15.404 12.153 -14.606 1.00 1.00 H +ATOM 427 N ASN A 30 -18.049 14.947 -17.638 1.00 1.00 N +ATOM 428 CA ASN A 30 -17.459 15.963 -18.493 1.00 1.00 C +ATOM 429 C ASN A 30 -15.965 15.678 -18.659 1.00 1.00 C +ATOM 430 O ASN A 30 -15.274 16.379 -19.397 1.00 1.00 O +ATOM 431 CB ASN A 30 -17.609 17.354 -17.878 1.00 1.00 C +ATOM 432 CG ASN A 30 -19.082 17.695 -17.641 1.00 1.00 C +ATOM 433 OD1 ASN A 30 -19.563 17.743 -16.520 1.00 1.00 O +ATOM 434 ND2 ASN A 30 -19.769 17.925 -18.756 1.00 1.00 N +ATOM 435 H ASN A 30 -18.289 15.256 -16.718 1.00 1.00 H +ATOM 436 HA ASN A 30 -18.003 15.896 -19.435 1.00 1.00 H +ATOM 437 HB2 ASN A 30 -17.066 17.401 -16.933 1.00 1.00 H +ATOM 438 HB3 ASN A 30 -17.162 18.099 -18.537 1.00 1.00 H +ATOM 439 HD21 ASN A 30 -19.314 17.869 -19.645 1.00 1.00 H +ATOM 440 HD22 ASN A 30 -20.741 18.156 -18.706 1.00 1.00 H +ATOM 441 N GLY A 31 -15.510 14.648 -17.961 1.00 1.00 N +ATOM 442 CA GLY A 31 -14.110 14.262 -18.022 1.00 1.00 C +ATOM 443 C GLY A 31 -13.699 13.492 -16.765 1.00 1.00 C +ATOM 444 O GLY A 31 -13.969 13.931 -15.648 1.00 1.00 O +ATOM 445 H GLY A 31 -16.079 14.083 -17.363 1.00 1.00 H +ATOM 446 HA2 GLY A 31 -13.937 13.645 -18.904 1.00 1.00 H +ATOM 447 HA3 GLY A 31 -13.488 15.151 -18.129 1.00 1.00 H +ATOM 448 N SER A 32 -13.052 12.358 -16.990 1.00 1.00 N +ATOM 449 CA SER A 32 -12.600 11.523 -15.890 1.00 1.00 C +ATOM 450 C SER A 32 -11.255 10.881 -16.238 1.00 1.00 C +ATOM 451 O SER A 32 -11.060 10.406 -17.355 1.00 1.00 O +ATOM 452 CB SER A 32 -13.633 10.444 -15.558 1.00 1.00 C +ATOM 453 OG SER A 32 -13.869 10.345 -14.156 1.00 1.00 O +ATOM 454 H SER A 32 -12.836 12.008 -17.902 1.00 1.00 H +ATOM 455 HA SER A 32 -12.494 12.198 -15.041 1.00 1.00 H +ATOM 456 HB2 SER A 32 -14.568 10.668 -16.069 1.00 1.00 H +ATOM 457 HB3 SER A 32 -13.285 9.481 -15.935 1.00 1.00 H +ATOM 458 HG SER A 32 -13.267 9.654 -13.755 1.00 1.00 H +ATOM 459 N PHE A 33 -10.361 10.890 -15.260 1.00 1.00 N +ATOM 460 CA PHE A 33 -9.039 10.316 -15.448 1.00 1.00 C +ATOM 461 C PHE A 33 -8.647 9.444 -14.255 1.00 1.00 C +ATOM 462 O PHE A 33 -8.346 9.957 -13.177 1.00 1.00 O +ATOM 463 CB PHE A 33 -8.056 11.482 -15.559 1.00 1.00 C +ATOM 464 CG PHE A 33 -8.596 12.680 -16.343 1.00 1.00 C +ATOM 465 CD1 PHE A 33 -9.848 13.148 -16.091 1.00 1.00 C +ATOM 466 CD2 PHE A 33 -7.825 13.276 -17.291 1.00 1.00 C +ATOM 467 CE1 PHE A 33 -10.350 14.261 -16.819 1.00 1.00 C +ATOM 468 CE2 PHE A 33 -8.326 14.387 -18.019 1.00 1.00 C +ATOM 469 CZ PHE A 33 -9.578 14.856 -17.767 1.00 1.00 C +ATOM 470 H PHE A 33 -10.527 11.280 -14.353 1.00 1.00 H +ATOM 471 HA PHE A 33 -9.080 9.702 -16.347 1.00 1.00 H +ATOM 472 HB2 PHE A 33 -7.784 11.811 -14.555 1.00 1.00 H +ATOM 473 HB3 PHE A 33 -7.142 11.129 -16.038 1.00 1.00 H +ATOM 474 HD1 PHE A 33 -10.466 12.671 -15.331 1.00 1.00 H +ATOM 475 HD2 PHE A 33 -6.823 12.900 -17.493 1.00 1.00 H +ATOM 476 HE1 PHE A 33 -11.353 14.636 -16.617 1.00 1.00 H +ATOM 477 HE2 PHE A 33 -7.708 14.865 -18.780 1.00 1.00 H +ATOM 478 HZ PHE A 33 -9.963 15.709 -18.326 1.00 1.00 H +ATOM 479 N LEU A 34 -8.660 8.139 -14.486 1.00 1.00 N +ATOM 480 CA LEU A 34 -8.308 7.191 -13.443 1.00 1.00 C +ATOM 481 C LEU A 34 -6.991 6.503 -13.809 1.00 1.00 C +ATOM 482 O LEU A 34 -6.858 5.946 -14.898 1.00 1.00 O +ATOM 483 CB LEU A 34 -9.461 6.217 -13.192 1.00 1.00 C +ATOM 484 CG LEU A 34 -9.456 4.939 -14.036 1.00 1.00 C +ATOM 485 CD1 LEU A 34 -9.122 3.717 -13.177 1.00 1.00 C +ATOM 486 CD2 LEU A 34 -10.780 4.770 -14.784 1.00 1.00 C +ATOM 487 H LEU A 34 -8.905 7.729 -15.365 1.00 1.00 H +ATOM 488 HA LEU A 34 -8.158 7.757 -12.524 1.00 1.00 H +ATOM 489 HB2 LEU A 34 -9.449 5.934 -12.140 1.00 1.00 H +ATOM 490 HB3 LEU A 34 -10.399 6.742 -13.372 1.00 1.00 H +ATOM 491 HG LEU A 34 -8.672 5.029 -14.787 1.00 1.00 H +ATOM 492 HD11 LEU A 34 -8.927 4.036 -12.153 1.00 1.00 H +ATOM 493 HD12 LEU A 34 -9.963 3.025 -13.189 1.00 1.00 H +ATOM 494 HD13 LEU A 34 -8.238 3.222 -13.580 1.00 1.00 H +ATOM 495 HD21 LEU A 34 -11.519 5.459 -14.374 1.00 1.00 H +ATOM 496 HD22 LEU A 34 -10.629 4.985 -15.842 1.00 1.00 H +ATOM 497 HD23 LEU A 34 -11.134 3.747 -14.667 1.00 1.00 H +ATOM 498 N VAL A 35 -6.049 6.563 -12.877 1.00 1.00 N +ATOM 499 CA VAL A 35 -4.748 5.955 -13.088 1.00 1.00 C +ATOM 500 C VAL A 35 -4.899 4.431 -13.098 1.00 1.00 C +ATOM 501 O VAL A 35 -5.735 3.882 -12.383 1.00 1.00 O +ATOM 502 CB VAL A 35 -3.760 6.450 -12.029 1.00 1.00 C +ATOM 503 CG1 VAL A 35 -3.839 5.596 -10.763 1.00 1.00 C +ATOM 504 CG2 VAL A 35 -2.335 6.481 -12.582 1.00 1.00 C +ATOM 505 H VAL A 35 -6.166 7.018 -11.994 1.00 1.00 H +ATOM 506 HA VAL A 35 -4.388 6.277 -14.064 1.00 1.00 H +ATOM 507 HB VAL A 35 -4.039 7.470 -11.764 1.00 1.00 H +ATOM 508 HG11 VAL A 35 -4.832 5.155 -10.684 1.00 1.00 H +ATOM 509 HG12 VAL A 35 -3.092 4.804 -10.813 1.00 1.00 H +ATOM 510 HG13 VAL A 35 -3.648 6.221 -9.891 1.00 1.00 H +ATOM 511 HG21 VAL A 35 -2.366 6.425 -13.671 1.00 1.00 H +ATOM 512 HG22 VAL A 35 -1.847 7.408 -12.281 1.00 1.00 H +ATOM 513 HG23 VAL A 35 -1.774 5.633 -12.191 1.00 1.00 H +ATOM 514 N ARG A 36 -4.074 3.793 -13.915 1.00 1.00 N +ATOM 515 CA ARG A 36 -4.105 2.343 -14.027 1.00 1.00 C +ATOM 516 C ARG A 36 -2.708 1.764 -13.794 1.00 1.00 C +ATOM 517 O ARG A 36 -1.726 2.502 -13.747 1.00 1.00 O +ATOM 518 CB ARG A 36 -4.607 1.909 -15.405 1.00 1.00 C +ATOM 519 CG ARG A 36 -5.414 0.612 -15.310 1.00 1.00 C +ATOM 520 CD ARG A 36 -5.051 -0.343 -16.449 1.00 1.00 C +ATOM 521 NE ARG A 36 -5.233 -1.745 -16.010 1.00 1.00 N +ATOM 522 CZ ARG A 36 -5.153 -2.804 -16.827 1.00 1.00 C +ATOM 523 NH1 ARG A 36 -4.894 -2.628 -18.129 1.00 1.00 N +ATOM 524 NH2 ARG A 36 -5.334 -4.041 -16.342 1.00 1.00 N +ATOM 525 H ARG A 36 -3.395 4.246 -14.492 1.00 1.00 H +ATOM 526 HA ARG A 36 -4.798 2.019 -13.252 1.00 1.00 H +ATOM 527 HB2 ARG A 36 -5.227 2.696 -15.835 1.00 1.00 H +ATOM 528 HB3 ARG A 36 -3.761 1.766 -16.076 1.00 1.00 H +ATOM 529 HG2 ARG A 36 -5.222 0.131 -14.351 1.00 1.00 H +ATOM 530 HG3 ARG A 36 -6.479 0.838 -15.346 1.00 1.00 H +ATOM 531 HD2 ARG A 36 -5.677 -0.141 -17.317 1.00 1.00 H +ATOM 532 HD3 ARG A 36 -4.018 -0.182 -16.755 1.00 1.00 H +ATOM 533 HE ARG A 36 -5.428 -1.913 -15.043 1.00 1.00 H +ATOM 534 HH11 ARG A 36 -4.761 -1.706 -18.492 1.00 1.00 H +ATOM 535 HH12 ARG A 36 -4.836 -3.418 -18.739 1.00 1.00 H +ATOM 536 HH21 ARG A 36 -5.526 -4.173 -15.369 1.00 1.00 H +ATOM 537 HH22 ARG A 36 -5.274 -4.832 -16.952 1.00 1.00 H +ATOM 538 N GLU A 37 -2.665 0.447 -13.656 1.00 1.00 N +ATOM 539 CA GLU A 37 -1.405 -0.241 -13.429 1.00 1.00 C +ATOM 540 C GLU A 37 -1.172 -1.293 -14.517 1.00 1.00 C +ATOM 541 O GLU A 37 -1.945 -2.241 -14.643 1.00 1.00 O +ATOM 542 CB GLU A 37 -1.369 -0.873 -12.037 1.00 1.00 C +ATOM 543 CG GLU A 37 -0.211 -0.309 -11.209 1.00 1.00 C +ATOM 544 CD GLU A 37 0.656 -1.435 -10.641 1.00 1.00 C +ATOM 545 OE1 GLU A 37 0.763 -2.472 -11.330 1.00 1.00 O +ATOM 546 OE2 GLU A 37 1.193 -1.232 -9.531 1.00 1.00 O +ATOM 547 H GLU A 37 -3.469 -0.146 -13.696 1.00 1.00 H +ATOM 548 HA GLU A 37 -0.638 0.532 -13.492 1.00 1.00 H +ATOM 549 HB2 GLU A 37 -2.311 -0.686 -11.523 1.00 1.00 H +ATOM 550 HB3 GLU A 37 -1.263 -1.954 -12.127 1.00 1.00 H +ATOM 551 HG2 GLU A 37 0.400 0.346 -11.831 1.00 1.00 H +ATOM 552 HG3 GLU A 37 -0.604 0.299 -10.395 1.00 1.00 H +ATOM 553 N SER A 38 -0.103 -1.090 -15.271 1.00 1.00 N +ATOM 554 CA SER A 38 0.241 -2.010 -16.342 1.00 1.00 C +ATOM 555 C SER A 38 0.785 -3.315 -15.757 1.00 1.00 C +ATOM 556 O SER A 38 1.072 -3.392 -14.563 1.00 1.00 O +ATOM 557 CB SER A 38 1.265 -1.388 -17.295 1.00 1.00 C +ATOM 558 OG SER A 38 1.191 -1.952 -18.600 1.00 1.00 O +ATOM 559 H SER A 38 0.521 -0.317 -15.162 1.00 1.00 H +ATOM 560 HA SER A 38 -0.690 -2.190 -16.879 1.00 1.00 H +ATOM 561 HB2 SER A 38 1.097 -0.312 -17.355 1.00 1.00 H +ATOM 562 HB3 SER A 38 2.267 -1.533 -16.894 1.00 1.00 H +ATOM 563 HG SER A 38 2.107 -2.190 -18.924 1.00 1.00 H +ATOM 564 N GLU A 39 0.912 -4.308 -16.625 1.00 1.00 N +ATOM 565 CA GLU A 39 1.415 -5.605 -16.210 1.00 1.00 C +ATOM 566 C GLU A 39 2.588 -6.029 -17.098 1.00 1.00 C +ATOM 567 O GLU A 39 3.552 -6.624 -16.618 1.00 1.00 O +ATOM 568 CB GLU A 39 0.305 -6.658 -16.229 1.00 1.00 C +ATOM 569 CG GLU A 39 -0.607 -6.514 -15.009 1.00 1.00 C +ATOM 570 CD GLU A 39 -2.012 -6.074 -15.424 1.00 1.00 C +ATOM 571 OE1 GLU A 39 -2.418 -6.455 -16.543 1.00 1.00 O +ATOM 572 OE2 GLU A 39 -2.649 -5.366 -14.614 1.00 1.00 O +ATOM 573 H GLU A 39 0.676 -4.237 -17.594 1.00 1.00 H +ATOM 574 HA GLU A 39 1.760 -5.467 -15.184 1.00 1.00 H +ATOM 575 HB2 GLU A 39 -0.282 -6.554 -17.141 1.00 1.00 H +ATOM 576 HB3 GLU A 39 0.745 -7.656 -16.243 1.00 1.00 H +ATOM 577 HG2 GLU A 39 -0.661 -7.464 -14.477 1.00 1.00 H +ATOM 578 HG3 GLU A 39 -0.183 -5.785 -14.317 1.00 1.00 H +ATOM 579 N SER A 40 2.467 -5.705 -18.376 1.00 1.00 N +ATOM 580 CA SER A 40 3.504 -6.044 -19.336 1.00 1.00 C +ATOM 581 C SER A 40 4.882 -5.928 -18.681 1.00 1.00 C +ATOM 582 O SER A 40 5.778 -6.719 -18.968 1.00 1.00 O +ATOM 583 CB SER A 40 3.427 -5.145 -20.572 1.00 1.00 C +ATOM 584 OG SER A 40 3.519 -5.891 -21.782 1.00 1.00 O +ATOM 585 H SER A 40 1.680 -5.220 -18.759 1.00 1.00 H +ATOM 586 HA SER A 40 3.303 -7.075 -19.625 1.00 1.00 H +ATOM 587 HB2 SER A 40 2.488 -4.590 -20.558 1.00 1.00 H +ATOM 588 HB3 SER A 40 4.231 -4.410 -20.536 1.00 1.00 H +ATOM 589 HG SER A 40 3.782 -6.835 -21.582 1.00 1.00 H +ATOM 590 N SER A 41 5.006 -4.936 -17.811 1.00 1.00 N +ATOM 591 CA SER A 41 6.260 -4.707 -17.113 1.00 1.00 C +ATOM 592 C SER A 41 6.091 -5.012 -15.624 1.00 1.00 C +ATOM 593 O SER A 41 5.052 -4.712 -15.037 1.00 1.00 O +ATOM 594 CB SER A 41 6.744 -3.269 -17.309 1.00 1.00 C +ATOM 595 OG SER A 41 7.947 -3.210 -18.071 1.00 1.00 O +ATOM 596 H SER A 41 4.272 -4.296 -17.583 1.00 1.00 H +ATOM 597 HA SER A 41 6.973 -5.394 -17.567 1.00 1.00 H +ATOM 598 HB2 SER A 41 5.969 -2.690 -17.810 1.00 1.00 H +ATOM 599 HB3 SER A 41 6.908 -2.806 -16.335 1.00 1.00 H +ATOM 600 HG SER A 41 7.825 -3.689 -18.939 1.00 1.00 H +ATOM 601 N PRO A 42 7.158 -5.621 -15.038 1.00 1.00 N +ATOM 602 CA PRO A 42 7.139 -5.969 -13.627 1.00 1.00 C +ATOM 603 C PRO A 42 7.322 -4.728 -12.752 1.00 1.00 C +ATOM 604 O PRO A 42 8.263 -4.653 -11.965 1.00 1.00 O +ATOM 605 CB PRO A 42 8.255 -6.985 -13.458 1.00 1.00 C +ATOM 606 CG PRO A 42 9.157 -6.821 -14.672 1.00 1.00 C +ATOM 607 CD PRO A 42 8.405 -5.990 -15.699 1.00 1.00 C +ATOM 608 HA PRO A 42 6.249 -6.351 -13.377 1.00 1.00 H +ATOM 609 HB2 PRO A 42 8.809 -6.808 -12.535 1.00 1.00 H +ATOM 610 HB3 PRO A 42 7.858 -7.997 -13.402 1.00 1.00 H +ATOM 611 HG2 PRO A 42 10.089 -6.331 -14.392 1.00 1.00 H +ATOM 612 HG3 PRO A 42 9.420 -7.794 -15.087 1.00 1.00 H +ATOM 613 HD2 PRO A 42 8.977 -5.108 -15.989 1.00 1.00 H +ATOM 614 HD3 PRO A 42 8.217 -6.560 -16.608 1.00 1.00 H +ATOM 615 N GLY A 43 6.406 -3.784 -12.920 1.00 1.00 N +ATOM 616 CA GLY A 43 6.456 -2.549 -12.156 1.00 1.00 C +ATOM 617 C GLY A 43 6.229 -1.336 -13.058 1.00 1.00 C +ATOM 618 O GLY A 43 7.075 -0.446 -13.132 1.00 1.00 O +ATOM 619 H GLY A 43 5.644 -3.853 -13.562 1.00 1.00 H +ATOM 620 HA2 GLY A 43 5.698 -2.572 -11.373 1.00 1.00 H +ATOM 621 HA3 GLY A 43 7.422 -2.463 -11.659 1.00 1.00 H +ATOM 622 N GLN A 44 5.083 -1.339 -13.723 1.00 1.00 N +ATOM 623 CA GLN A 44 4.735 -0.249 -14.620 1.00 1.00 C +ATOM 624 C GLN A 44 3.297 0.210 -14.362 1.00 1.00 C +ATOM 625 O GLN A 44 2.473 -0.562 -13.871 1.00 1.00 O +ATOM 626 CB GLN A 44 4.927 -0.659 -16.082 1.00 1.00 C +ATOM 627 CG GLN A 44 5.921 0.269 -16.783 1.00 1.00 C +ATOM 628 CD GLN A 44 5.236 1.066 -17.896 1.00 1.00 C +ATOM 629 OE1 GLN A 44 4.088 1.465 -17.791 1.00 1.00 O +ATOM 630 NE2 GLN A 44 6.003 1.275 -18.961 1.00 1.00 N +ATOM 631 H GLN A 44 4.400 -2.068 -13.659 1.00 1.00 H +ATOM 632 HA GLN A 44 5.428 0.556 -14.379 1.00 1.00 H +ATOM 633 HB2 GLN A 44 5.284 -1.687 -16.131 1.00 1.00 H +ATOM 634 HB3 GLN A 44 3.968 -0.629 -16.600 1.00 1.00 H +ATOM 635 HG2 GLN A 44 6.360 0.953 -16.058 1.00 1.00 H +ATOM 636 HG3 GLN A 44 6.738 -0.319 -17.202 1.00 1.00 H +ATOM 637 HE21 GLN A 44 6.936 0.920 -18.982 1.00 1.00 H +ATOM 638 HE22 GLN A 44 5.644 1.787 -19.742 1.00 1.00 H +ATOM 639 N ARG A 45 3.039 1.462 -14.708 1.00 1.00 N +ATOM 640 CA ARG A 45 1.717 2.033 -14.520 1.00 1.00 C +ATOM 641 C ARG A 45 1.152 2.514 -15.859 1.00 1.00 C +ATOM 642 O ARG A 45 1.876 2.589 -16.851 1.00 1.00 O +ATOM 643 CB ARG A 45 1.755 3.206 -13.539 1.00 1.00 C +ATOM 644 CG ARG A 45 1.264 2.780 -12.154 1.00 1.00 C +ATOM 645 CD ARG A 45 2.279 1.860 -11.471 1.00 1.00 C +ATOM 646 NE ARG A 45 1.829 1.542 -10.098 1.00 1.00 N +ATOM 647 CZ ARG A 45 1.791 2.430 -9.094 1.00 1.00 C +ATOM 648 NH1 ARG A 45 2.176 3.696 -9.306 1.00 1.00 N +ATOM 649 NH2 ARG A 45 1.367 2.052 -7.880 1.00 1.00 N +ATOM 650 H ARG A 45 3.714 2.082 -15.107 1.00 1.00 H +ATOM 651 HA ARG A 45 1.117 1.218 -14.113 1.00 1.00 H +ATOM 652 HB2 ARG A 45 2.774 3.590 -13.466 1.00 1.00 H +ATOM 653 HB3 ARG A 45 1.136 4.020 -13.915 1.00 1.00 H +ATOM 654 HG2 ARG A 45 1.094 3.663 -11.538 1.00 1.00 H +ATOM 655 HG3 ARG A 45 0.307 2.266 -12.247 1.00 1.00 H +ATOM 656 HD2 ARG A 45 2.394 0.942 -12.047 1.00 1.00 H +ATOM 657 HD3 ARG A 45 3.256 2.343 -11.439 1.00 1.00 H +ATOM 658 HE ARG A 45 1.534 0.606 -9.906 1.00 1.00 H +ATOM 659 HH11 ARG A 45 2.492 3.978 -10.212 1.00 1.00 H +ATOM 660 HH12 ARG A 45 2.149 4.358 -8.558 1.00 1.00 H +ATOM 661 HH21 ARG A 45 1.080 1.107 -7.723 1.00 1.00 H +ATOM 662 HH22 ARG A 45 1.340 2.715 -7.131 1.00 1.00 H +ATOM 663 N SER A 46 -0.135 2.830 -15.843 1.00 1.00 N +ATOM 664 CA SER A 46 -0.804 3.303 -17.042 1.00 1.00 C +ATOM 665 C SER A 46 -1.674 4.518 -16.712 1.00 1.00 C +ATOM 666 O SER A 46 -1.709 4.968 -15.569 1.00 1.00 O +ATOM 667 CB SER A 46 -1.654 2.196 -17.671 1.00 1.00 C +ATOM 668 OG SER A 46 -1.831 1.093 -16.788 1.00 1.00 O +ATOM 669 H SER A 46 -0.715 2.768 -15.031 1.00 1.00 H +ATOM 670 HA SER A 46 -0.005 3.580 -17.730 1.00 1.00 H +ATOM 671 HB2 SER A 46 -2.627 2.600 -17.948 1.00 1.00 H +ATOM 672 HB3 SER A 46 -1.178 1.852 -18.590 1.00 1.00 H +ATOM 673 HG SER A 46 -1.581 1.357 -15.856 1.00 1.00 H +ATOM 674 N ILE A 47 -2.354 5.014 -17.736 1.00 1.00 N +ATOM 675 CA ILE A 47 -3.221 6.168 -17.569 1.00 1.00 C +ATOM 676 C ILE A 47 -4.569 5.888 -18.235 1.00 1.00 C +ATOM 677 O ILE A 47 -4.618 5.368 -19.349 1.00 1.00 O +ATOM 678 CB ILE A 47 -2.532 7.434 -18.082 1.00 1.00 C +ATOM 679 CG1 ILE A 47 -2.619 8.562 -17.050 1.00 1.00 C +ATOM 680 CG2 ILE A 47 -3.100 7.855 -19.439 1.00 1.00 C +ATOM 681 CD1 ILE A 47 -1.222 9.018 -16.620 1.00 1.00 C +ATOM 682 H ILE A 47 -2.319 4.642 -18.663 1.00 1.00 H +ATOM 683 HA ILE A 47 -3.386 6.301 -16.499 1.00 1.00 H +ATOM 684 HB ILE A 47 -1.476 7.212 -18.229 1.00 1.00 H +ATOM 685 HG12 ILE A 47 -3.167 9.403 -17.471 1.00 1.00 H +ATOM 686 HG13 ILE A 47 -3.178 8.220 -16.179 1.00 1.00 H +ATOM 687 HG21 ILE A 47 -4.181 7.723 -19.438 1.00 1.00 H +ATOM 688 HG22 ILE A 47 -2.861 8.902 -19.623 1.00 1.00 H +ATOM 689 HG23 ILE A 47 -2.659 7.238 -20.223 1.00 1.00 H +ATOM 690 HD11 ILE A 47 -0.495 8.728 -17.377 1.00 1.00 H +ATOM 691 HD12 ILE A 47 -1.215 10.103 -16.506 1.00 1.00 H +ATOM 692 HD13 ILE A 47 -0.965 8.550 -15.669 1.00 1.00 H +ATOM 693 N SER A 48 -5.630 6.245 -17.526 1.00 1.00 N +ATOM 694 CA SER A 48 -6.975 6.039 -18.035 1.00 1.00 C +ATOM 695 C SER A 48 -7.753 7.356 -18.005 1.00 1.00 C +ATOM 696 O SER A 48 -8.246 7.766 -16.956 1.00 1.00 O +ATOM 697 CB SER A 48 -7.712 4.969 -17.226 1.00 1.00 C +ATOM 698 OG SER A 48 -8.253 3.948 -18.061 1.00 1.00 O +ATOM 699 H SER A 48 -5.581 6.668 -16.621 1.00 1.00 H +ATOM 700 HA SER A 48 -6.845 5.694 -19.060 1.00 1.00 H +ATOM 701 HB2 SER A 48 -7.025 4.523 -16.506 1.00 1.00 H +ATOM 702 HB3 SER A 48 -8.514 5.434 -16.655 1.00 1.00 H +ATOM 703 HG SER A 48 -8.860 4.352 -18.746 1.00 1.00 H +ATOM 704 N LEU A 49 -7.840 7.982 -19.169 1.00 1.00 N +ATOM 705 CA LEU A 49 -8.551 9.243 -19.291 1.00 1.00 C +ATOM 706 C LEU A 49 -9.935 8.989 -19.886 1.00 1.00 C +ATOM 707 O LEU A 49 -10.097 8.121 -20.743 1.00 1.00 O +ATOM 708 CB LEU A 49 -7.716 10.253 -20.083 1.00 1.00 C +ATOM 709 CG LEU A 49 -6.215 9.969 -20.161 1.00 1.00 C +ATOM 710 CD1 LEU A 49 -5.457 11.177 -20.713 1.00 1.00 C +ATOM 711 CD2 LEU A 49 -5.671 9.522 -18.803 1.00 1.00 C +ATOM 712 H LEU A 49 -7.436 7.641 -20.019 1.00 1.00 H +ATOM 713 HA LEU A 49 -8.673 9.646 -18.286 1.00 1.00 H +ATOM 714 HB2 LEU A 49 -8.111 10.302 -21.097 1.00 1.00 H +ATOM 715 HB3 LEU A 49 -7.858 11.239 -19.638 1.00 1.00 H +ATOM 716 HG LEU A 49 -6.059 9.146 -20.858 1.00 1.00 H +ATOM 717 HD11 LEU A 49 -5.977 12.093 -20.431 1.00 1.00 H +ATOM 718 HD12 LEU A 49 -4.447 11.192 -20.304 1.00 1.00 H +ATOM 719 HD13 LEU A 49 -5.406 11.110 -21.800 1.00 1.00 H +ATOM 720 HD21 LEU A 49 -6.236 10.005 -18.008 1.00 1.00 H +ATOM 721 HD22 LEU A 49 -5.766 8.439 -18.713 1.00 1.00 H +ATOM 722 HD23 LEU A 49 -4.619 9.801 -18.724 1.00 1.00 H +ATOM 723 N ARG A 50 -10.900 9.761 -19.409 1.00 1.00 N +ATOM 724 CA ARG A 50 -12.268 9.630 -19.883 1.00 1.00 C +ATOM 725 C ARG A 50 -12.673 10.868 -20.684 1.00 1.00 C +ATOM 726 O ARG A 50 -12.437 11.996 -20.253 1.00 1.00 O +ATOM 727 CB ARG A 50 -13.241 9.445 -18.716 1.00 1.00 C +ATOM 728 CG ARG A 50 -14.672 9.778 -19.139 1.00 1.00 C +ATOM 729 CD ARG A 50 -15.168 8.804 -20.209 1.00 1.00 C +ATOM 730 NE ARG A 50 -16.303 8.010 -19.686 1.00 1.00 N +ATOM 731 CZ ARG A 50 -17.033 7.164 -20.425 1.00 1.00 C +ATOM 732 NH1 ARG A 50 -16.752 6.998 -21.726 1.00 1.00 N +ATOM 733 NH2 ARG A 50 -18.044 6.486 -19.867 1.00 1.00 N +ATOM 734 H ARG A 50 -10.761 10.465 -18.712 1.00 1.00 H +ATOM 735 HA ARG A 50 -12.260 8.740 -20.512 1.00 1.00 H +ATOM 736 HB2 ARG A 50 -13.193 8.418 -18.356 1.00 1.00 H +ATOM 737 HB3 ARG A 50 -12.944 10.087 -17.886 1.00 1.00 H +ATOM 738 HG2 ARG A 50 -15.331 9.735 -18.271 1.00 1.00 H +ATOM 739 HG3 ARG A 50 -14.716 10.797 -19.521 1.00 1.00 H +ATOM 740 HD2 ARG A 50 -15.479 9.354 -21.098 1.00 1.00 H +ATOM 741 HD3 ARG A 50 -14.358 8.140 -20.513 1.00 1.00 H +ATOM 742 HE ARG A 50 -16.539 8.111 -18.720 1.00 1.00 H +ATOM 743 HH11 ARG A 50 -15.997 7.505 -22.144 1.00 1.00 H +ATOM 744 HH12 ARG A 50 -17.297 6.367 -22.277 1.00 1.00 H +ATOM 745 HH21 ARG A 50 -18.253 6.611 -18.896 1.00 1.00 H +ATOM 746 HH22 ARG A 50 -18.588 5.855 -20.419 1.00 1.00 H +ATOM 747 N TYR A 51 -13.275 10.617 -21.838 1.00 1.00 N +ATOM 748 CA TYR A 51 -13.715 11.697 -22.704 1.00 1.00 C +ATOM 749 C TYR A 51 -15.242 11.801 -22.719 1.00 1.00 C +ATOM 750 O TYR A 51 -15.894 11.565 -21.704 1.00 1.00 O +ATOM 751 CB TYR A 51 -13.226 11.338 -24.107 1.00 1.00 C +ATOM 752 CG TYR A 51 -12.342 12.409 -24.751 1.00 1.00 C +ATOM 753 CD1 TYR A 51 -12.908 13.572 -25.233 1.00 1.00 C +ATOM 754 CD2 TYR A 51 -10.980 12.211 -24.850 1.00 1.00 C +ATOM 755 CE1 TYR A 51 -12.077 14.579 -25.839 1.00 1.00 C +ATOM 756 CE2 TYR A 51 -10.148 13.220 -25.457 1.00 1.00 C +ATOM 757 CZ TYR A 51 -10.737 14.353 -25.921 1.00 1.00 C +ATOM 758 OH TYR A 51 -9.952 15.305 -26.493 1.00 1.00 O +ATOM 759 H TYR A 51 -13.464 9.697 -22.181 1.00 1.00 H +ATOM 760 HA TYR A 51 -13.299 12.628 -22.317 1.00 1.00 H +ATOM 761 HB2 TYR A 51 -12.668 10.402 -24.059 1.00 1.00 H +ATOM 762 HB3 TYR A 51 -14.089 11.161 -24.748 1.00 1.00 H +ATOM 763 HD1 TYR A 51 -13.984 13.728 -25.155 1.00 1.00 H +ATOM 764 HD2 TYR A 51 -10.534 11.293 -24.470 1.00 1.00 H +ATOM 765 HE1 TYR A 51 -12.509 15.502 -26.224 1.00 1.00 H +ATOM 766 HE2 TYR A 51 -9.071 13.076 -25.540 1.00 1.00 H +ATOM 767 HH TYR A 51 -10.457 16.165 -26.567 1.00 1.00 H +ATOM 768 N GLU A 52 -15.767 12.154 -23.883 1.00 1.00 N +ATOM 769 CA GLU A 52 -17.204 12.291 -24.046 1.00 1.00 C +ATOM 770 C GLU A 52 -17.901 10.962 -23.747 1.00 1.00 C +ATOM 771 O GLU A 52 -18.431 10.766 -22.654 1.00 1.00 O +ATOM 772 CB GLU A 52 -17.554 12.790 -25.449 1.00 1.00 C +ATOM 773 CG GLU A 52 -16.581 12.228 -26.488 1.00 1.00 C +ATOM 774 CD GLU A 52 -17.324 11.794 -27.753 1.00 1.00 C +ATOM 775 OE1 GLU A 52 -18.242 12.539 -28.157 1.00 1.00 O +ATOM 776 OE2 GLU A 52 -16.953 10.726 -28.289 1.00 1.00 O +ATOM 777 H GLU A 52 -15.229 12.344 -24.704 1.00 1.00 H +ATOM 778 HA GLU A 52 -17.508 13.041 -23.314 1.00 1.00 H +ATOM 779 HB2 GLU A 52 -18.572 12.495 -25.700 1.00 1.00 H +ATOM 780 HB3 GLU A 52 -17.523 13.880 -25.469 1.00 1.00 H +ATOM 781 HG2 GLU A 52 -15.836 12.983 -26.740 1.00 1.00 H +ATOM 782 HG3 GLU A 52 -16.044 11.379 -26.066 1.00 1.00 H +ATOM 783 N GLY A 53 -17.878 10.083 -24.738 1.00 1.00 N +ATOM 784 CA GLY A 53 -18.501 8.778 -24.595 1.00 1.00 C +ATOM 785 C GLY A 53 -17.514 7.660 -24.932 1.00 1.00 C +ATOM 786 O GLY A 53 -17.886 6.662 -25.550 1.00 1.00 O +ATOM 787 H GLY A 53 -17.445 10.250 -25.623 1.00 1.00 H +ATOM 788 HA2 GLY A 53 -18.863 8.654 -23.575 1.00 1.00 H +ATOM 789 HA3 GLY A 53 -19.369 8.712 -25.252 1.00 1.00 H +ATOM 790 N ARG A 54 -16.274 7.862 -24.512 1.00 1.00 N +ATOM 791 CA ARG A 54 -15.230 6.882 -24.762 1.00 1.00 C +ATOM 792 C ARG A 54 -14.164 6.951 -23.666 1.00 1.00 C +ATOM 793 O ARG A 54 -14.116 7.914 -22.901 1.00 1.00 O +ATOM 794 CB ARG A 54 -14.571 7.114 -26.122 1.00 1.00 C +ATOM 795 CG ARG A 54 -14.519 5.819 -26.936 1.00 1.00 C +ATOM 796 CD ARG A 54 -15.783 5.654 -27.782 1.00 1.00 C +ATOM 797 NE ARG A 54 -16.047 4.218 -28.022 1.00 1.00 N +ATOM 798 CZ ARG A 54 -16.774 3.441 -27.208 1.00 1.00 C +ATOM 799 NH1 ARG A 54 -17.314 3.957 -26.095 1.00 1.00 N +ATOM 800 NH2 ARG A 54 -16.960 2.147 -27.506 1.00 1.00 N +ATOM 801 H ARG A 54 -15.980 8.675 -24.011 1.00 1.00 H +ATOM 802 HA ARG A 54 -15.742 5.920 -24.750 1.00 1.00 H +ATOM 803 HB2 ARG A 54 -15.125 7.873 -26.674 1.00 1.00 H +ATOM 804 HB3 ARG A 54 -13.560 7.499 -25.980 1.00 1.00 H +ATOM 805 HG2 ARG A 54 -13.642 5.827 -27.582 1.00 1.00 H +ATOM 806 HG3 ARG A 54 -14.413 4.967 -26.264 1.00 1.00 H +ATOM 807 HD2 ARG A 54 -16.634 6.108 -27.274 1.00 1.00 H +ATOM 808 HD3 ARG A 54 -15.664 6.175 -28.732 1.00 1.00 H +ATOM 809 HE ARG A 54 -15.658 3.801 -28.845 1.00 1.00 H +ATOM 810 HH11 ARG A 54 -17.174 4.921 -25.873 1.00 1.00 H +ATOM 811 HH12 ARG A 54 -17.856 3.377 -25.487 1.00 1.00 H +ATOM 812 HH21 ARG A 54 -16.557 1.762 -28.336 1.00 1.00 H +ATOM 813 HH22 ARG A 54 -17.503 1.568 -26.898 1.00 1.00 H +ATOM 814 N VAL A 55 -13.333 5.921 -23.626 1.00 1.00 N +ATOM 815 CA VAL A 55 -12.270 5.853 -22.638 1.00 1.00 C +ATOM 816 C VAL A 55 -10.949 5.529 -23.337 1.00 1.00 C +ATOM 817 O VAL A 55 -10.935 4.843 -24.358 1.00 1.00 O +ATOM 818 CB VAL A 55 -12.633 4.842 -21.548 1.00 1.00 C +ATOM 819 CG1 VAL A 55 -11.627 4.892 -20.398 1.00 1.00 C +ATOM 820 CG2 VAL A 55 -14.058 5.071 -21.039 1.00 1.00 C +ATOM 821 H VAL A 55 -13.379 5.142 -24.252 1.00 1.00 H +ATOM 822 HA VAL A 55 -12.190 6.836 -22.173 1.00 1.00 H +ATOM 823 HB VAL A 55 -12.591 3.845 -21.988 1.00 1.00 H +ATOM 824 HG11 VAL A 55 -10.913 5.697 -20.573 1.00 1.00 H +ATOM 825 HG12 VAL A 55 -12.153 5.071 -19.460 1.00 1.00 H +ATOM 826 HG13 VAL A 55 -11.095 3.941 -20.339 1.00 1.00 H +ATOM 827 HG21 VAL A 55 -14.745 5.099 -21.886 1.00 1.00 H +ATOM 828 HG22 VAL A 55 -14.339 4.259 -20.369 1.00 1.00 H +ATOM 829 HG23 VAL A 55 -14.104 6.018 -20.503 1.00 1.00 H +ATOM 830 N TYR A 56 -9.870 6.038 -22.761 1.00 1.00 N +ATOM 831 CA TYR A 56 -8.547 5.813 -23.316 1.00 1.00 C +ATOM 832 C TYR A 56 -7.622 5.166 -22.283 1.00 1.00 C +ATOM 833 O TYR A 56 -7.529 5.633 -21.150 1.00 1.00 O +ATOM 834 CB TYR A 56 -8.001 7.194 -23.678 1.00 1.00 C +ATOM 835 CG TYR A 56 -8.576 7.772 -24.973 1.00 1.00 C +ATOM 836 CD1 TYR A 56 -8.588 7.008 -26.123 1.00 1.00 C +ATOM 837 CD2 TYR A 56 -9.083 9.054 -24.991 1.00 1.00 C +ATOM 838 CE1 TYR A 56 -9.128 7.551 -27.342 1.00 1.00 C +ATOM 839 CE2 TYR A 56 -9.625 9.597 -26.209 1.00 1.00 C +ATOM 840 CZ TYR A 56 -9.621 8.819 -27.325 1.00 1.00 C +ATOM 841 OH TYR A 56 -10.133 9.333 -28.476 1.00 1.00 O +ATOM 842 H TYR A 56 -9.891 6.595 -21.931 1.00 1.00 H +ATOM 843 HA TYR A 56 -8.650 5.143 -24.170 1.00 1.00 H +ATOM 844 HB2 TYR A 56 -8.211 7.883 -22.860 1.00 1.00 H +ATOM 845 HB3 TYR A 56 -6.916 7.133 -23.771 1.00 1.00 H +ATOM 846 HD1 TYR A 56 -8.186 5.995 -26.109 1.00 1.00 H +ATOM 847 HD2 TYR A 56 -9.074 9.657 -24.083 1.00 1.00 H +ATOM 848 HE1 TYR A 56 -9.143 6.959 -28.258 1.00 1.00 H +ATOM 849 HE2 TYR A 56 -10.030 10.609 -26.237 1.00 1.00 H +ATOM 850 HH TYR A 56 -10.330 8.594 -29.121 1.00 1.00 H +ATOM 851 N HIS A 57 -6.962 4.100 -22.712 1.00 1.00 N +ATOM 852 CA HIS A 57 -6.047 3.384 -21.838 1.00 1.00 C +ATOM 853 C HIS A 57 -4.634 3.439 -22.420 1.00 1.00 C +ATOM 854 O HIS A 57 -4.240 2.563 -23.189 1.00 1.00 O +ATOM 855 CB HIS A 57 -6.535 1.954 -21.597 1.00 1.00 C +ATOM 856 CG HIS A 57 -7.546 1.830 -20.482 1.00 1.00 C +ATOM 857 ND1 HIS A 57 -8.910 1.776 -20.710 1.00 1.00 N +ATOM 858 CD2 HIS A 57 -7.377 1.750 -19.131 1.00 1.00 C +ATOM 859 CE1 HIS A 57 -9.525 1.668 -19.541 1.00 1.00 C +ATOM 860 NE2 HIS A 57 -8.574 1.652 -18.565 1.00 1.00 N +ATOM 861 H HIS A 57 -7.044 3.726 -23.635 1.00 1.00 H +ATOM 862 HA HIS A 57 -6.058 3.906 -20.881 1.00 1.00 H +ATOM 863 HB2 HIS A 57 -6.974 1.571 -22.517 1.00 1.00 H +ATOM 864 HB3 HIS A 57 -5.676 1.323 -21.367 1.00 1.00 H +ATOM 865 HD1 HIS A 57 -9.355 1.812 -21.605 1.00 1.00 H +ATOM 866 HD2 HIS A 57 -6.422 1.762 -18.606 1.00 1.00 H +ATOM 867 HE1 HIS A 57 -10.603 1.603 -19.388 1.00 1.00 H +ATOM 868 N TYR A 58 -3.908 4.477 -22.030 1.00 1.00 N +ATOM 869 CA TYR A 58 -2.545 4.656 -22.504 1.00 1.00 C +ATOM 870 C TYR A 58 -1.550 4.600 -21.343 1.00 1.00 C +ATOM 871 O TYR A 58 -1.662 5.362 -20.386 1.00 1.00 O +ATOM 872 CB TYR A 58 -2.498 6.051 -23.132 1.00 1.00 C +ATOM 873 CG TYR A 58 -2.438 6.043 -24.660 1.00 1.00 C +ATOM 874 CD1 TYR A 58 -3.399 5.368 -25.384 1.00 1.00 C +ATOM 875 CD2 TYR A 58 -1.424 6.712 -25.314 1.00 1.00 C +ATOM 876 CE1 TYR A 58 -3.342 5.360 -26.823 1.00 1.00 C +ATOM 877 CE2 TYR A 58 -1.367 6.704 -26.753 1.00 1.00 C +ATOM 878 CZ TYR A 58 -2.330 6.029 -27.436 1.00 1.00 C +ATOM 879 OH TYR A 58 -2.276 6.022 -28.796 1.00 1.00 O +ATOM 880 H TYR A 58 -4.234 5.184 -21.405 1.00 1.00 H +ATOM 881 HA TYR A 58 -2.323 3.852 -23.203 1.00 1.00 H +ATOM 882 HB2 TYR A 58 -3.380 6.611 -22.816 1.00 1.00 H +ATOM 883 HB3 TYR A 58 -1.628 6.582 -22.747 1.00 1.00 H +ATOM 884 HD1 TYR A 58 -4.199 4.839 -24.868 1.00 1.00 H +ATOM 885 HD2 TYR A 58 -0.665 7.246 -24.742 1.00 1.00 H +ATOM 886 HE1 TYR A 58 -4.095 4.830 -27.408 1.00 1.00 H +ATOM 887 HE2 TYR A 58 -0.571 7.228 -27.283 1.00 1.00 H +ATOM 888 HH TYR A 58 -3.073 6.495 -29.171 1.00 1.00 H +ATOM 889 N ARG A 59 -0.597 3.686 -21.467 1.00 1.00 N +ATOM 890 CA ARG A 59 0.417 3.518 -20.440 1.00 1.00 C +ATOM 891 C ARG A 59 1.090 4.859 -20.136 1.00 1.00 C +ATOM 892 O ARG A 59 0.913 5.828 -20.873 1.00 1.00 O +ATOM 893 CB ARG A 59 1.481 2.510 -20.878 1.00 1.00 C +ATOM 894 CG ARG A 59 1.913 2.759 -22.324 1.00 1.00 C +ATOM 895 CD ARG A 59 1.815 1.478 -23.154 1.00 1.00 C +ATOM 896 NE ARG A 59 2.739 1.551 -24.309 1.00 1.00 N +ATOM 897 CZ ARG A 59 2.487 2.237 -25.430 1.00 1.00 C +ATOM 898 NH1 ARG A 59 1.339 2.915 -25.558 1.00 1.00 N +ATOM 899 NH2 ARG A 59 3.386 2.246 -26.426 1.00 1.00 N +ATOM 900 H ARG A 59 -0.513 3.069 -22.249 1.00 1.00 H +ATOM 901 HA ARG A 59 -0.124 3.144 -19.572 1.00 1.00 H +ATOM 902 HB2 ARG A 59 2.346 2.579 -20.219 1.00 1.00 H +ATOM 903 HB3 ARG A 59 1.089 1.496 -20.781 1.00 1.00 H +ATOM 904 HG2 ARG A 59 1.285 3.533 -22.766 1.00 1.00 H +ATOM 905 HG3 ARG A 59 2.938 3.130 -22.342 1.00 1.00 H +ATOM 906 HD2 ARG A 59 2.059 0.614 -22.536 1.00 1.00 H +ATOM 907 HD3 ARG A 59 0.793 1.339 -23.506 1.00 1.00 H +ATOM 908 HE ARG A 59 3.606 1.056 -24.245 1.00 1.00 H +ATOM 909 HH11 ARG A 59 0.669 2.907 -24.815 1.00 1.00 H +ATOM 910 HH12 ARG A 59 1.150 3.428 -26.397 1.00 1.00 H +ATOM 911 HH21 ARG A 59 4.243 1.742 -26.331 1.00 1.00 H +ATOM 912 HH22 ARG A 59 3.197 2.760 -27.264 1.00 1.00 H +ATOM 913 N ILE A 60 1.847 4.870 -19.049 1.00 1.00 N +ATOM 914 CA ILE A 60 2.547 6.076 -18.638 1.00 1.00 C +ATOM 915 C ILE A 60 3.679 6.365 -19.625 1.00 1.00 C +ATOM 916 O ILE A 60 3.439 6.521 -20.821 1.00 1.00 O +ATOM 917 CB ILE A 60 3.013 5.955 -17.186 1.00 1.00 C +ATOM 918 CG1 ILE A 60 1.870 5.494 -16.278 1.00 1.00 C +ATOM 919 CG2 ILE A 60 3.638 7.264 -16.699 1.00 1.00 C +ATOM 920 CD1 ILE A 60 1.015 6.681 -15.829 1.00 1.00 C +ATOM 921 H ILE A 60 1.985 4.078 -18.455 1.00 1.00 H +ATOM 922 HA ILE A 60 1.834 6.898 -18.679 1.00 1.00 H +ATOM 923 HB ILE A 60 3.789 5.190 -17.138 1.00 1.00 H +ATOM 924 HG12 ILE A 60 1.247 4.774 -16.810 1.00 1.00 H +ATOM 925 HG13 ILE A 60 2.276 4.983 -15.406 1.00 1.00 H +ATOM 926 HG21 ILE A 60 3.551 8.020 -17.480 1.00 1.00 H +ATOM 927 HG22 ILE A 60 3.119 7.605 -15.804 1.00 1.00 H +ATOM 928 HG23 ILE A 60 4.691 7.100 -16.469 1.00 1.00 H +ATOM 929 HD11 ILE A 60 1.008 7.440 -16.610 1.00 1.00 H +ATOM 930 HD12 ILE A 60 -0.004 6.344 -15.639 1.00 1.00 H +ATOM 931 HD13 ILE A 60 1.434 7.104 -14.915 1.00 1.00 H +ATOM 932 N ASN A 61 4.889 6.426 -19.088 1.00 1.00 N +ATOM 933 CA ASN A 61 6.058 6.692 -19.907 1.00 1.00 C +ATOM 934 C ASN A 61 7.251 7.002 -19.000 1.00 1.00 C +ATOM 935 O ASN A 61 7.215 7.956 -18.224 1.00 1.00 O +ATOM 936 CB ASN A 61 5.830 7.902 -20.815 1.00 1.00 C +ATOM 937 CG ASN A 61 7.106 8.262 -21.581 1.00 1.00 C +ATOM 938 OD1 ASN A 61 8.208 7.903 -21.206 1.00 1.00 O +ATOM 939 ND2 ASN A 61 6.893 8.990 -22.674 1.00 1.00 N +ATOM 940 H ASN A 61 5.075 6.296 -18.115 1.00 1.00 H +ATOM 941 HA ASN A 61 6.207 5.790 -20.499 1.00 1.00 H +ATOM 942 HB2 ASN A 61 5.026 7.686 -21.520 1.00 1.00 H +ATOM 943 HB3 ASN A 61 5.509 8.756 -20.217 1.00 1.00 H +ATOM 944 HD21 ASN A 61 5.961 9.252 -22.928 1.00 1.00 H +ATOM 945 HD22 ASN A 61 7.664 9.275 -23.243 1.00 1.00 H +ATOM 946 N THR A 62 8.280 6.178 -19.128 1.00 1.00 N +ATOM 947 CA THR A 62 9.482 6.350 -18.329 1.00 1.00 C +ATOM 948 C THR A 62 10.654 6.780 -19.215 1.00 1.00 C +ATOM 949 O THR A 62 10.759 6.350 -20.363 1.00 1.00 O +ATOM 950 CB THR A 62 9.738 5.046 -17.572 1.00 1.00 C +ATOM 951 OG1 THR A 62 8.475 4.723 -16.998 1.00 1.00 O +ATOM 952 CG2 THR A 62 10.658 5.241 -16.364 1.00 1.00 C +ATOM 953 H THR A 62 8.302 5.405 -19.763 1.00 1.00 H +ATOM 954 HA THR A 62 9.308 7.156 -17.617 1.00 1.00 H +ATOM 955 HB THR A 62 10.131 4.279 -18.241 1.00 1.00 H +ATOM 956 HG1 THR A 62 7.922 5.552 -16.900 1.00 1.00 H +ATOM 957 HG21 THR A 62 10.393 6.166 -15.851 1.00 1.00 H +ATOM 958 HG22 THR A 62 10.543 4.399 -15.682 1.00 1.00 H +ATOM 959 HG23 THR A 62 11.693 5.297 -16.701 1.00 1.00 H +ATOM 960 N ALA A 63 11.505 7.622 -18.647 1.00 1.00 N +ATOM 961 CA ALA A 63 12.665 8.114 -19.371 1.00 1.00 C +ATOM 962 C ALA A 63 13.800 7.094 -19.260 1.00 1.00 C +ATOM 963 O ALA A 63 14.919 7.443 -18.884 1.00 1.00 O +ATOM 964 CB ALA A 63 13.061 9.488 -18.827 1.00 1.00 C +ATOM 965 H ALA A 63 11.413 7.967 -17.713 1.00 1.00 H +ATOM 966 HA ALA A 63 12.383 8.219 -20.419 1.00 1.00 H +ATOM 967 HB1 ALA A 63 12.190 10.144 -18.832 1.00 1.00 H +ATOM 968 HB2 ALA A 63 13.431 9.383 -17.808 1.00 1.00 H +ATOM 969 HB3 ALA A 63 13.843 9.916 -19.455 1.00 1.00 H +ATOM 970 N SER A 64 13.473 5.854 -19.593 1.00 1.00 N +ATOM 971 CA SER A 64 14.453 4.781 -19.535 1.00 1.00 C +ATOM 972 C SER A 64 15.376 4.980 -18.333 1.00 1.00 C +ATOM 973 O SER A 64 16.554 4.627 -18.386 1.00 1.00 O +ATOM 974 CB SER A 64 15.268 4.710 -20.828 1.00 1.00 C +ATOM 975 OG SER A 64 16.200 5.784 -20.930 1.00 1.00 O +ATOM 976 H SER A 64 12.562 5.579 -19.897 1.00 1.00 H +ATOM 977 HA SER A 64 13.870 3.866 -19.423 1.00 1.00 H +ATOM 978 HB2 SER A 64 15.803 3.761 -20.867 1.00 1.00 H +ATOM 979 HB3 SER A 64 14.595 4.732 -21.684 1.00 1.00 H +ATOM 980 HG SER A 64 16.122 6.382 -20.132 1.00 1.00 H +ATOM 981 N ASP A 65 14.810 5.546 -17.278 1.00 1.00 N +ATOM 982 CA ASP A 65 15.569 5.795 -16.064 1.00 1.00 C +ATOM 983 C ASP A 65 14.707 5.447 -14.849 1.00 1.00 C +ATOM 984 O ASP A 65 15.104 4.632 -14.017 1.00 1.00 O +ATOM 985 CB ASP A 65 15.964 7.270 -15.956 1.00 1.00 C +ATOM 986 CG ASP A 65 16.896 7.605 -14.790 1.00 1.00 C +ATOM 987 OD1 ASP A 65 16.359 7.860 -13.690 1.00 1.00 O +ATOM 988 OD2 ASP A 65 18.123 7.601 -15.025 1.00 1.00 O +ATOM 989 H ASP A 65 13.852 5.831 -17.243 1.00 1.00 H +ATOM 990 HA ASP A 65 16.453 5.165 -16.144 1.00 1.00 H +ATOM 991 HB2 ASP A 65 16.447 7.570 -16.886 1.00 1.00 H +ATOM 992 HB3 ASP A 65 15.057 7.868 -15.860 1.00 1.00 H +ATOM 993 N GLY A 66 13.546 6.081 -14.785 1.00 1.00 N +ATOM 994 CA GLY A 66 12.626 5.847 -13.684 1.00 1.00 C +ATOM 995 C GLY A 66 11.482 6.862 -13.700 1.00 1.00 C +ATOM 996 O GLY A 66 10.311 6.486 -13.692 1.00 1.00 O +ATOM 997 H GLY A 66 13.230 6.742 -15.466 1.00 1.00 H +ATOM 998 HA2 GLY A 66 12.221 4.838 -13.752 1.00 1.00 H +ATOM 999 HA3 GLY A 66 13.162 5.912 -12.737 1.00 1.00 H +ATOM 1000 N LYS A 67 11.862 8.132 -13.723 1.00 1.00 N +ATOM 1001 CA LYS A 67 10.883 9.207 -13.741 1.00 1.00 C +ATOM 1002 C LYS A 67 9.820 8.904 -14.798 1.00 1.00 C +ATOM 1003 O LYS A 67 10.118 8.309 -15.832 1.00 1.00 O +ATOM 1004 CB LYS A 67 11.573 10.558 -13.932 1.00 1.00 C +ATOM 1005 CG LYS A 67 12.810 10.419 -14.821 1.00 1.00 C +ATOM 1006 CD LYS A 67 14.089 10.394 -13.981 1.00 1.00 C +ATOM 1007 CE LYS A 67 14.823 11.735 -14.057 1.00 1.00 C +ATOM 1008 NZ LYS A 67 15.462 11.903 -15.381 1.00 1.00 N +ATOM 1009 H LYS A 67 12.816 8.431 -13.730 1.00 1.00 H +ATOM 1010 HA LYS A 67 10.403 9.226 -12.762 1.00 1.00 H +ATOM 1011 HB2 LYS A 67 10.876 11.266 -14.379 1.00 1.00 H +ATOM 1012 HB3 LYS A 67 11.860 10.964 -12.962 1.00 1.00 H +ATOM 1013 HG2 LYS A 67 12.740 9.506 -15.411 1.00 1.00 H +ATOM 1014 HG3 LYS A 67 12.852 11.251 -15.526 1.00 1.00 H +ATOM 1015 HD2 LYS A 67 13.843 10.168 -12.944 1.00 1.00 H +ATOM 1016 HD3 LYS A 67 14.745 9.598 -14.333 1.00 1.00 H +ATOM 1017 HE2 LYS A 67 14.121 12.550 -13.879 1.00 1.00 H +ATOM 1018 HE3 LYS A 67 15.577 11.787 -13.273 1.00 1.00 H +ATOM 1019 HZ1 LYS A 67 14.782 11.757 -16.100 1.00 1.00 H +ATOM 1020 HZ2 LYS A 67 15.834 12.827 -15.457 1.00 1.00 H +ATOM 1021 HZ3 LYS A 67 16.200 11.236 -15.481 1.00 1.00 H +ATOM 1022 N LEU A 68 8.600 9.327 -14.502 1.00 1.00 N +ATOM 1023 CA LEU A 68 7.489 9.110 -15.414 1.00 1.00 C +ATOM 1024 C LEU A 68 7.168 10.417 -16.142 1.00 1.00 C +ATOM 1025 O LEU A 68 6.671 11.364 -15.534 1.00 1.00 O +ATOM 1026 CB LEU A 68 6.294 8.510 -14.671 1.00 1.00 C +ATOM 1027 CG LEU A 68 6.469 7.076 -14.164 1.00 1.00 C +ATOM 1028 CD1 LEU A 68 7.483 7.019 -13.019 1.00 1.00 C +ATOM 1029 CD2 LEU A 68 5.124 6.466 -13.769 1.00 1.00 C +ATOM 1030 H LEU A 68 8.365 9.811 -13.659 1.00 1.00 H +ATOM 1031 HA LEU A 68 7.813 8.373 -16.151 1.00 1.00 H +ATOM 1032 HB2 LEU A 68 6.063 9.149 -13.819 1.00 1.00 H +ATOM 1033 HB3 LEU A 68 5.429 8.536 -15.333 1.00 1.00 H +ATOM 1034 HG LEU A 68 6.871 6.473 -14.979 1.00 1.00 H +ATOM 1035 HD11 LEU A 68 8.432 7.443 -13.351 1.00 1.00 H +ATOM 1036 HD12 LEU A 68 7.106 7.593 -12.172 1.00 1.00 H +ATOM 1037 HD13 LEU A 68 7.634 5.984 -12.718 1.00 1.00 H +ATOM 1038 HD21 LEU A 68 4.637 7.104 -13.033 1.00 1.00 H +ATOM 1039 HD22 LEU A 68 4.489 6.381 -14.652 1.00 1.00 H +ATOM 1040 HD23 LEU A 68 5.285 5.475 -13.343 1.00 1.00 H +ATOM 1041 N TYR A 69 7.466 10.427 -17.433 1.00 1.00 N +ATOM 1042 CA TYR A 69 7.215 11.602 -18.249 1.00 1.00 C +ATOM 1043 C TYR A 69 6.376 11.247 -19.478 1.00 1.00 C +ATOM 1044 O TYR A 69 6.794 10.438 -20.308 1.00 1.00 O +ATOM 1045 CB TYR A 69 8.588 12.098 -18.709 1.00 1.00 C +ATOM 1046 CG TYR A 69 9.116 11.392 -19.959 1.00 1.00 C +ATOM 1047 CD1 TYR A 69 9.652 10.125 -19.863 1.00 1.00 C +ATOM 1048 CD2 TYR A 69 9.058 12.026 -21.184 1.00 1.00 C +ATOM 1049 CE1 TYR A 69 10.151 9.462 -21.041 1.00 1.00 C +ATOM 1050 CE2 TYR A 69 9.556 11.362 -22.362 1.00 1.00 C +ATOM 1051 CZ TYR A 69 10.077 10.114 -22.232 1.00 1.00 C +ATOM 1052 OH TYR A 69 10.547 9.487 -23.343 1.00 1.00 O +ATOM 1053 H TYR A 69 7.870 9.652 -17.919 1.00 1.00 H +ATOM 1054 HA TYR A 69 6.669 12.323 -17.642 1.00 1.00 H +ATOM 1055 HB2 TYR A 69 8.530 13.167 -18.905 1.00 1.00 H +ATOM 1056 HB3 TYR A 69 9.302 11.959 -17.897 1.00 1.00 H +ATOM 1057 HD1 TYR A 69 9.699 9.625 -18.895 1.00 1.00 H +ATOM 1058 HD2 TYR A 69 8.636 13.027 -21.260 1.00 1.00 H +ATOM 1059 HE1 TYR A 69 10.576 8.461 -20.979 1.00 1.00 H +ATOM 1060 HE2 TYR A 69 9.516 11.851 -23.335 1.00 1.00 H +ATOM 1061 HH TYR A 69 10.578 10.129 -24.110 1.00 1.00 H +ATOM 1062 N VAL A 70 5.208 11.868 -19.558 1.00 1.00 N +ATOM 1063 CA VAL A 70 4.309 11.627 -20.673 1.00 1.00 C +ATOM 1064 C VAL A 70 4.813 12.382 -21.904 1.00 1.00 C +ATOM 1065 O VAL A 70 4.588 11.955 -23.035 1.00 1.00 O +ATOM 1066 CB VAL A 70 2.878 12.008 -20.282 1.00 1.00 C +ATOM 1067 CG1 VAL A 70 1.879 11.549 -21.346 1.00 1.00 C +ATOM 1068 CG2 VAL A 70 2.516 11.440 -18.908 1.00 1.00 C +ATOM 1069 H VAL A 70 4.877 12.523 -18.881 1.00 1.00 H +ATOM 1070 HA VAL A 70 4.325 10.557 -20.885 1.00 1.00 H +ATOM 1071 HB VAL A 70 2.827 13.095 -20.220 1.00 1.00 H +ATOM 1072 HG11 VAL A 70 2.320 11.672 -22.336 1.00 1.00 H +ATOM 1073 HG12 VAL A 70 1.633 10.500 -21.186 1.00 1.00 H +ATOM 1074 HG13 VAL A 70 0.972 12.150 -21.275 1.00 1.00 H +ATOM 1075 HG21 VAL A 70 3.416 11.060 -18.424 1.00 1.00 H +ATOM 1076 HG22 VAL A 70 2.077 12.227 -18.295 1.00 1.00 H +ATOM 1077 HG23 VAL A 70 1.798 10.629 -19.028 1.00 1.00 H +ATOM 1078 N SER A 71 5.484 13.494 -21.642 1.00 1.00 N +ATOM 1079 CA SER A 71 6.023 14.313 -22.713 1.00 1.00 C +ATOM 1080 C SER A 71 7.553 14.340 -22.636 1.00 1.00 C +ATOM 1081 O SER A 71 8.224 13.557 -23.306 1.00 1.00 O +ATOM 1082 CB SER A 71 5.465 15.737 -22.653 1.00 1.00 C +ATOM 1083 OG SER A 71 5.971 16.554 -23.706 1.00 1.00 O +ATOM 1084 H SER A 71 5.664 13.835 -20.718 1.00 1.00 H +ATOM 1085 HA SER A 71 5.696 13.833 -23.636 1.00 1.00 H +ATOM 1086 HB2 SER A 71 4.377 15.701 -22.711 1.00 1.00 H +ATOM 1087 HB3 SER A 71 5.718 16.185 -21.693 1.00 1.00 H +ATOM 1088 HG SER A 71 5.820 17.518 -23.492 1.00 1.00 H +ATOM 1089 N SER A 72 8.055 15.247 -21.812 1.00 1.00 N +ATOM 1090 CA SER A 72 9.491 15.385 -21.637 1.00 1.00 C +ATOM 1091 C SER A 72 9.794 16.557 -20.703 1.00 1.00 C +ATOM 1092 O SER A 72 10.546 16.411 -19.741 1.00 1.00 O +ATOM 1093 CB SER A 72 10.193 15.582 -22.982 1.00 1.00 C +ATOM 1094 OG SER A 72 11.076 14.505 -23.287 1.00 1.00 O +ATOM 1095 H SER A 72 7.501 15.878 -21.270 1.00 1.00 H +ATOM 1096 HA SER A 72 9.820 14.446 -21.191 1.00 1.00 H +ATOM 1097 HB2 SER A 72 9.445 15.672 -23.771 1.00 1.00 H +ATOM 1098 HB3 SER A 72 10.753 16.516 -22.966 1.00 1.00 H +ATOM 1099 HG SER A 72 12.021 14.777 -23.107 1.00 1.00 H +ATOM 1100 N GLU A 73 9.192 17.695 -21.019 1.00 1.00 N +ATOM 1101 CA GLU A 73 9.389 18.892 -20.220 1.00 1.00 C +ATOM 1102 C GLU A 73 8.522 18.838 -18.960 1.00 1.00 C +ATOM 1103 O GLU A 73 8.560 19.752 -18.137 1.00 1.00 O +ATOM 1104 CB GLU A 73 9.091 20.152 -21.037 1.00 1.00 C +ATOM 1105 CG GLU A 73 7.881 20.898 -20.471 1.00 1.00 C +ATOM 1106 CD GLU A 73 7.385 21.961 -21.454 1.00 1.00 C +ATOM 1107 OE1 GLU A 73 8.224 22.792 -21.862 1.00 1.00 O +ATOM 1108 OE2 GLU A 73 6.178 21.918 -21.776 1.00 1.00 O +ATOM 1109 H GLU A 73 8.582 17.805 -21.803 1.00 1.00 H +ATOM 1110 HA GLU A 73 10.444 18.887 -19.944 1.00 1.00 H +ATOM 1111 HB2 GLU A 73 9.962 20.807 -21.031 1.00 1.00 H +ATOM 1112 HB3 GLU A 73 8.903 19.879 -22.075 1.00 1.00 H +ATOM 1113 HG2 GLU A 73 7.080 20.190 -20.261 1.00 1.00 H +ATOM 1114 HG3 GLU A 73 8.148 21.368 -19.526 1.00 1.00 H +ATOM 1115 N SER A 74 7.764 17.758 -18.849 1.00 1.00 N +ATOM 1116 CA SER A 74 6.889 17.573 -17.704 1.00 1.00 C +ATOM 1117 C SER A 74 7.071 16.166 -17.129 1.00 1.00 C +ATOM 1118 O SER A 74 6.161 15.341 -17.200 1.00 1.00 O +ATOM 1119 CB SER A 74 5.426 17.807 -18.084 1.00 1.00 C +ATOM 1120 OG SER A 74 5.272 18.923 -18.955 1.00 1.00 O +ATOM 1121 H SER A 74 7.739 17.019 -19.522 1.00 1.00 H +ATOM 1122 HA SER A 74 7.200 18.324 -16.979 1.00 1.00 H +ATOM 1123 HB2 SER A 74 5.029 16.913 -18.567 1.00 1.00 H +ATOM 1124 HB3 SER A 74 4.838 17.967 -17.181 1.00 1.00 H +ATOM 1125 HG SER A 74 5.657 19.744 -18.531 1.00 1.00 H +ATOM 1126 N ARG A 75 8.250 15.936 -16.573 1.00 1.00 N +ATOM 1127 CA ARG A 75 8.563 14.644 -15.986 1.00 1.00 C +ATOM 1128 C ARG A 75 8.119 14.604 -14.522 1.00 1.00 C +ATOM 1129 O ARG A 75 8.158 15.620 -13.831 1.00 1.00 O +ATOM 1130 CB ARG A 75 10.062 14.350 -16.066 1.00 1.00 C +ATOM 1131 CG ARG A 75 10.777 15.381 -16.940 1.00 1.00 C +ATOM 1132 CD ARG A 75 12.089 14.819 -17.491 1.00 1.00 C +ATOM 1133 NE ARG A 75 12.859 15.892 -18.159 1.00 1.00 N +ATOM 1134 CZ ARG A 75 14.190 15.873 -18.317 1.00 1.00 C +ATOM 1135 NH1 ARG A 75 14.905 14.838 -17.858 1.00 1.00 N +ATOM 1136 NH2 ARG A 75 14.805 16.891 -18.935 1.00 1.00 N +ATOM 1137 H ARG A 75 8.985 16.613 -16.518 1.00 1.00 H +ATOM 1138 HA ARG A 75 8.004 13.924 -16.585 1.00 1.00 H +ATOM 1139 HB2 ARG A 75 10.492 14.358 -15.065 1.00 1.00 H +ATOM 1140 HB3 ARG A 75 10.219 13.351 -16.473 1.00 1.00 H +ATOM 1141 HG2 ARG A 75 10.128 15.675 -17.767 1.00 1.00 H +ATOM 1142 HG3 ARG A 75 10.978 16.280 -16.358 1.00 1.00 H +ATOM 1143 HD2 ARG A 75 12.676 14.388 -16.681 1.00 1.00 H +ATOM 1144 HD3 ARG A 75 11.881 14.016 -18.197 1.00 1.00 H +ATOM 1145 HE ARG A 75 12.356 16.680 -18.513 1.00 1.00 H +ATOM 1146 HH11 ARG A 75 14.446 14.078 -17.396 1.00 1.00 H +ATOM 1147 HH12 ARG A 75 15.898 14.825 -17.976 1.00 1.00 H +ATOM 1148 HH21 ARG A 75 14.271 17.665 -19.277 1.00 1.00 H +ATOM 1149 HH22 ARG A 75 15.798 16.879 -19.054 1.00 1.00 H +ATOM 1150 N PHE A 76 7.708 13.419 -14.094 1.00 1.00 N +ATOM 1151 CA PHE A 76 7.256 13.234 -12.725 1.00 1.00 C +ATOM 1152 C PHE A 76 7.812 11.936 -12.136 1.00 1.00 C +ATOM 1153 O PHE A 76 8.344 11.098 -12.863 1.00 1.00 O +ATOM 1154 CB PHE A 76 5.729 13.151 -12.764 1.00 1.00 C +ATOM 1155 CG PHE A 76 5.069 14.233 -13.621 1.00 1.00 C +ATOM 1156 CD1 PHE A 76 4.868 15.478 -13.110 1.00 1.00 C +ATOM 1157 CD2 PHE A 76 4.683 13.950 -14.895 1.00 1.00 C +ATOM 1158 CE1 PHE A 76 4.255 16.482 -13.906 1.00 1.00 C +ATOM 1159 CE2 PHE A 76 4.070 14.954 -15.690 1.00 1.00 C +ATOM 1160 CZ PHE A 76 3.869 16.199 -15.179 1.00 1.00 C +ATOM 1161 H PHE A 76 7.678 12.598 -14.663 1.00 1.00 H +ATOM 1162 HA PHE A 76 7.626 14.080 -12.145 1.00 1.00 H +ATOM 1163 HB2 PHE A 76 5.438 12.172 -13.145 1.00 1.00 H +ATOM 1164 HB3 PHE A 76 5.346 13.224 -11.746 1.00 1.00 H +ATOM 1165 HD1 PHE A 76 5.177 15.704 -12.090 1.00 1.00 H +ATOM 1166 HD2 PHE A 76 4.844 12.953 -15.304 1.00 1.00 H +ATOM 1167 HE1 PHE A 76 4.094 17.478 -13.496 1.00 1.00 H +ATOM 1168 HE2 PHE A 76 3.761 14.727 -16.711 1.00 1.00 H +ATOM 1169 HZ PHE A 76 3.398 16.969 -15.790 1.00 1.00 H +ATOM 1170 N ASN A 77 7.667 11.808 -10.826 1.00 1.00 N +ATOM 1171 CA ASN A 77 8.147 10.626 -10.131 1.00 1.00 C +ATOM 1172 C ASN A 77 6.954 9.763 -9.719 1.00 1.00 C +ATOM 1173 O ASN A 77 7.047 8.536 -9.699 1.00 1.00 O +ATOM 1174 CB ASN A 77 8.916 11.006 -8.865 1.00 1.00 C +ATOM 1175 CG ASN A 77 10.394 11.257 -9.175 1.00 1.00 C +ATOM 1176 OD1 ASN A 77 11.040 10.509 -9.892 1.00 1.00 O +ATOM 1177 ND2 ASN A 77 10.889 12.347 -8.598 1.00 1.00 N +ATOM 1178 H ASN A 77 7.233 12.494 -10.242 1.00 1.00 H +ATOM 1179 HA ASN A 77 8.801 10.122 -10.843 1.00 1.00 H +ATOM 1180 HB2 ASN A 77 8.478 11.900 -8.422 1.00 1.00 H +ATOM 1181 HB3 ASN A 77 8.828 10.207 -8.127 1.00 1.00 H +ATOM 1182 HD21 ASN A 77 10.306 12.918 -8.022 1.00 1.00 H +ATOM 1183 HD22 ASN A 77 11.848 12.597 -8.741 1.00 1.00 H +ATOM 1184 N THR A 78 5.858 10.438 -9.399 1.00 1.00 N +ATOM 1185 CA THR A 78 4.648 9.747 -8.986 1.00 1.00 C +ATOM 1186 C THR A 78 3.487 10.106 -9.916 1.00 1.00 C +ATOM 1187 O THR A 78 3.457 11.198 -10.484 1.00 1.00 O +ATOM 1188 CB THR A 78 4.383 10.092 -7.520 1.00 1.00 C +ATOM 1189 OG1 THR A 78 4.656 11.487 -7.437 1.00 1.00 O +ATOM 1190 CG2 THR A 78 5.402 9.455 -6.574 1.00 1.00 C +ATOM 1191 H THR A 78 5.790 11.434 -9.417 1.00 1.00 H +ATOM 1192 HA THR A 78 4.814 8.674 -9.084 1.00 1.00 H +ATOM 1193 HB THR A 78 3.365 9.823 -7.235 1.00 1.00 H +ATOM 1194 HG1 THR A 78 4.031 11.996 -8.029 1.00 1.00 H +ATOM 1195 HG21 THR A 78 6.103 8.849 -7.150 1.00 1.00 H +ATOM 1196 HG22 THR A 78 5.948 10.237 -6.047 1.00 1.00 H +ATOM 1197 HG23 THR A 78 4.884 8.823 -5.853 1.00 1.00 H +ATOM 1198 N LEU A 79 2.559 9.169 -10.042 1.00 1.00 N +ATOM 1199 CA LEU A 79 1.399 9.375 -10.891 1.00 1.00 C +ATOM 1200 C LEU A 79 0.731 10.701 -10.525 1.00 1.00 C +ATOM 1201 O LEU A 79 0.467 11.529 -11.394 1.00 1.00 O +ATOM 1202 CB LEU A 79 0.458 8.171 -10.813 1.00 1.00 C +ATOM 1203 CG LEU A 79 0.123 7.671 -9.407 1.00 1.00 C +ATOM 1204 CD1 LEU A 79 -1.360 7.882 -9.090 1.00 1.00 C +ATOM 1205 CD2 LEU A 79 0.544 6.211 -9.228 1.00 1.00 C +ATOM 1206 H LEU A 79 2.591 8.286 -9.575 1.00 1.00 H +ATOM 1207 HA LEU A 79 1.754 9.440 -11.919 1.00 1.00 H +ATOM 1208 HB2 LEU A 79 -0.473 8.429 -11.318 1.00 1.00 H +ATOM 1209 HB3 LEU A 79 0.906 7.348 -11.373 1.00 1.00 H +ATOM 1210 HG LEU A 79 0.692 8.262 -8.690 1.00 1.00 H +ATOM 1211 HD11 LEU A 79 -1.912 8.030 -10.017 1.00 1.00 H +ATOM 1212 HD12 LEU A 79 -1.748 7.007 -8.569 1.00 1.00 H +ATOM 1213 HD13 LEU A 79 -1.473 8.761 -8.455 1.00 1.00 H +ATOM 1214 HD21 LEU A 79 0.625 5.734 -10.204 1.00 1.00 H +ATOM 1215 HD22 LEU A 79 1.510 6.173 -8.724 1.00 1.00 H +ATOM 1216 HD23 LEU A 79 -0.200 5.688 -8.629 1.00 1.00 H +ATOM 1217 N ALA A 80 0.477 10.863 -9.235 1.00 1.00 N +ATOM 1218 CA ALA A 80 -0.155 12.074 -8.742 1.00 1.00 C +ATOM 1219 C ALA A 80 0.489 13.289 -9.412 1.00 1.00 C +ATOM 1220 O ALA A 80 -0.177 14.028 -10.136 1.00 1.00 O +ATOM 1221 CB ALA A 80 -0.045 12.124 -7.216 1.00 1.00 C +ATOM 1222 H ALA A 80 0.694 10.184 -8.532 1.00 1.00 H +ATOM 1223 HA ALA A 80 -1.209 12.034 -9.016 1.00 1.00 H +ATOM 1224 HB1 ALA A 80 0.804 11.522 -6.894 1.00 1.00 H +ATOM 1225 HB2 ALA A 80 0.099 13.156 -6.895 1.00 1.00 H +ATOM 1226 HB3 ALA A 80 -0.959 11.730 -6.772 1.00 1.00 H +ATOM 1227 N GLU A 81 1.776 13.458 -9.148 1.00 1.00 N +ATOM 1228 CA GLU A 81 2.517 14.571 -9.717 1.00 1.00 C +ATOM 1229 C GLU A 81 2.224 14.694 -11.215 1.00 1.00 C +ATOM 1230 O GLU A 81 2.202 15.796 -11.758 1.00 1.00 O +ATOM 1231 CB GLU A 81 4.018 14.417 -9.463 1.00 1.00 C +ATOM 1232 CG GLU A 81 4.414 15.039 -8.123 1.00 1.00 C +ATOM 1233 CD GLU A 81 3.514 14.528 -6.995 1.00 1.00 C +ATOM 1234 OE1 GLU A 81 3.143 13.335 -7.060 1.00 1.00 O +ATOM 1235 OE2 GLU A 81 3.217 15.342 -6.094 1.00 1.00 O +ATOM 1236 H GLU A 81 2.310 12.853 -8.559 1.00 1.00 H +ATOM 1237 HA GLU A 81 2.155 15.457 -9.196 1.00 1.00 H +ATOM 1238 HB2 GLU A 81 4.286 13.361 -9.472 1.00 1.00 H +ATOM 1239 HB3 GLU A 81 4.577 14.894 -10.268 1.00 1.00 H +ATOM 1240 HG2 GLU A 81 5.453 14.799 -7.900 1.00 1.00 H +ATOM 1241 HG3 GLU A 81 4.344 16.125 -8.185 1.00 1.00 H +ATOM 1242 N LEU A 82 2.006 13.545 -11.838 1.00 1.00 N +ATOM 1243 CA LEU A 82 1.715 13.509 -13.262 1.00 1.00 C +ATOM 1244 C LEU A 82 0.387 14.223 -13.524 1.00 1.00 C +ATOM 1245 O LEU A 82 0.320 15.134 -14.347 1.00 1.00 O +ATOM 1246 CB LEU A 82 1.755 12.071 -13.781 1.00 1.00 C +ATOM 1247 CG LEU A 82 1.984 11.907 -15.284 1.00 1.00 C +ATOM 1248 CD1 LEU A 82 3.250 11.096 -15.561 1.00 1.00 C +ATOM 1249 CD2 LEU A 82 0.754 11.299 -15.964 1.00 1.00 C +ATOM 1250 H LEU A 82 2.025 12.652 -11.389 1.00 1.00 H +ATOM 1251 HA LEU A 82 2.508 14.057 -13.770 1.00 1.00 H +ATOM 1252 HB2 LEU A 82 2.544 11.536 -13.252 1.00 1.00 H +ATOM 1253 HB3 LEU A 82 0.813 11.586 -13.521 1.00 1.00 H +ATOM 1254 HG LEU A 82 2.134 12.897 -15.717 1.00 1.00 H +ATOM 1255 HD11 LEU A 82 3.964 11.249 -14.751 1.00 1.00 H +ATOM 1256 HD12 LEU A 82 2.998 10.037 -15.627 1.00 1.00 H +ATOM 1257 HD13 LEU A 82 3.694 11.423 -16.501 1.00 1.00 H +ATOM 1258 HD21 LEU A 82 -0.149 11.724 -15.527 1.00 1.00 H +ATOM 1259 HD22 LEU A 82 0.782 11.518 -17.031 1.00 1.00 H +ATOM 1260 HD23 LEU A 82 0.755 10.219 -15.815 1.00 1.00 H +ATOM 1261 N VAL A 83 -0.636 13.781 -12.808 1.00 1.00 N +ATOM 1262 CA VAL A 83 -1.959 14.365 -12.953 1.00 1.00 C +ATOM 1263 C VAL A 83 -1.919 15.824 -12.497 1.00 1.00 C +ATOM 1264 O VAL A 83 -2.544 16.688 -13.111 1.00 1.00 O +ATOM 1265 CB VAL A 83 -2.987 13.528 -12.192 1.00 1.00 C +ATOM 1266 CG1 VAL A 83 -4.012 14.423 -11.491 1.00 1.00 C +ATOM 1267 CG2 VAL A 83 -3.677 12.527 -13.121 1.00 1.00 C +ATOM 1268 H VAL A 83 -0.574 13.039 -12.140 1.00 1.00 H +ATOM 1269 HA VAL A 83 -2.217 14.335 -14.012 1.00 1.00 H +ATOM 1270 HB VAL A 83 -2.458 12.963 -11.424 1.00 1.00 H +ATOM 1271 HG11 VAL A 83 -3.606 15.429 -11.389 1.00 1.00 H +ATOM 1272 HG12 VAL A 83 -4.927 14.459 -12.082 1.00 1.00 H +ATOM 1273 HG13 VAL A 83 -4.234 14.018 -10.503 1.00 1.00 H +ATOM 1274 HG21 VAL A 83 -3.781 12.966 -14.113 1.00 1.00 H +ATOM 1275 HG22 VAL A 83 -3.079 11.619 -13.184 1.00 1.00 H +ATOM 1276 HG23 VAL A 83 -4.664 12.285 -12.725 1.00 1.00 H +ATOM 1277 N HIS A 84 -1.179 16.056 -11.424 1.00 1.00 N +ATOM 1278 CA HIS A 84 -1.050 17.397 -10.877 1.00 1.00 C +ATOM 1279 C HIS A 84 -0.779 18.388 -12.010 1.00 1.00 C +ATOM 1280 O HIS A 84 -1.564 19.309 -12.234 1.00 1.00 O +ATOM 1281 CB HIS A 84 0.021 17.438 -9.785 1.00 1.00 C +ATOM 1282 CG HIS A 84 -0.516 17.759 -8.411 1.00 1.00 C +ATOM 1283 ND1 HIS A 84 -1.827 17.513 -8.042 1.00 1.00 N +ATOM 1284 CD2 HIS A 84 0.095 18.307 -7.321 1.00 1.00 C +ATOM 1285 CE1 HIS A 84 -1.987 17.901 -6.785 1.00 1.00 C +ATOM 1286 NE2 HIS A 84 -0.795 18.394 -6.341 1.00 1.00 N +ATOM 1287 H HIS A 84 -0.674 15.349 -10.929 1.00 1.00 H +ATOM 1288 HA HIS A 84 -2.006 17.640 -10.414 1.00 1.00 H +ATOM 1289 HB2 HIS A 84 0.526 16.473 -9.750 1.00 1.00 H +ATOM 1290 HB3 HIS A 84 0.772 18.180 -10.054 1.00 1.00 H +ATOM 1291 HD1 HIS A 84 -2.534 17.111 -8.624 1.00 1.00 H +ATOM 1292 HD2 HIS A 84 1.137 18.622 -7.266 1.00 1.00 H +ATOM 1293 HE1 HIS A 84 -2.910 17.838 -6.207 1.00 1.00 H +ATOM 1294 N HIS A 85 0.333 18.166 -12.695 1.00 1.00 N +ATOM 1295 CA HIS A 85 0.716 19.029 -13.800 1.00 1.00 C +ATOM 1296 C HIS A 85 -0.310 18.905 -14.927 1.00 1.00 C +ATOM 1297 O HIS A 85 -0.779 19.911 -15.458 1.00 1.00 O +ATOM 1298 CB HIS A 85 2.143 18.720 -14.260 1.00 1.00 C +ATOM 1299 CG HIS A 85 2.489 19.293 -15.613 1.00 1.00 C +ATOM 1300 ND1 HIS A 85 2.923 20.596 -15.788 1.00 1.00 N +ATOM 1301 CD2 HIS A 85 2.462 18.726 -16.854 1.00 1.00 C +ATOM 1302 CE1 HIS A 85 3.143 20.793 -17.079 1.00 1.00 C +ATOM 1303 NE2 HIS A 85 2.857 19.635 -17.739 1.00 1.00 N +ATOM 1304 H HIS A 85 0.965 17.414 -12.507 1.00 1.00 H +ATOM 1305 HA HIS A 85 0.704 20.050 -13.418 1.00 1.00 H +ATOM 1306 HB2 HIS A 85 2.844 19.110 -13.521 1.00 1.00 H +ATOM 1307 HB3 HIS A 85 2.279 17.640 -14.287 1.00 1.00 H +ATOM 1308 HD1 HIS A 85 3.049 21.272 -15.062 1.00 1.00 H +ATOM 1309 HD2 HIS A 85 2.167 17.702 -17.080 1.00 1.00 H +ATOM 1310 HE1 HIS A 85 3.491 21.721 -17.534 1.00 1.00 H +ATOM 1311 N HIS A 86 -0.628 17.663 -15.262 1.00 1.00 N +ATOM 1312 CA HIS A 86 -1.590 17.394 -16.318 1.00 1.00 C +ATOM 1313 C HIS A 86 -2.983 17.841 -15.868 1.00 1.00 C +ATOM 1314 O HIS A 86 -3.976 17.552 -16.533 1.00 1.00 O +ATOM 1315 CB HIS A 86 -1.544 15.923 -16.733 1.00 1.00 C +ATOM 1316 CG HIS A 86 -0.249 15.511 -17.390 1.00 1.00 C +ATOM 1317 ND1 HIS A 86 0.493 16.366 -18.188 1.00 1.00 N +ATOM 1318 CD2 HIS A 86 0.428 14.327 -17.361 1.00 1.00 C +ATOM 1319 CE1 HIS A 86 1.565 15.715 -18.613 1.00 1.00 C +ATOM 1320 NE2 HIS A 86 1.523 14.451 -18.100 1.00 1.00 N +ATOM 1321 H HIS A 86 -0.242 16.850 -14.825 1.00 1.00 H +ATOM 1322 HA HIS A 86 -1.286 17.992 -17.177 1.00 1.00 H +ATOM 1323 HB2 HIS A 86 -1.707 15.302 -15.852 1.00 1.00 H +ATOM 1324 HB3 HIS A 86 -2.368 15.724 -17.419 1.00 1.00 H +ATOM 1325 HD1 HIS A 86 0.259 17.313 -18.405 1.00 1.00 H +ATOM 1326 HD2 HIS A 86 0.121 13.431 -16.821 1.00 1.00 H +ATOM 1327 HE1 HIS A 86 2.345 16.118 -19.260 1.00 1.00 H +ATOM 1328 N SER A 87 -3.010 18.539 -14.741 1.00 1.00 N +ATOM 1329 CA SER A 87 -4.266 19.027 -14.195 1.00 1.00 C +ATOM 1330 C SER A 87 -4.716 20.276 -14.957 1.00 1.00 C +ATOM 1331 O SER A 87 -5.899 20.430 -15.257 1.00 1.00 O +ATOM 1332 CB SER A 87 -4.133 19.336 -12.703 1.00 1.00 C +ATOM 1333 OG SER A 87 -5.400 19.568 -12.091 1.00 1.00 O +ATOM 1334 H SER A 87 -2.199 18.769 -14.206 1.00 1.00 H +ATOM 1335 HA SER A 87 -4.978 18.215 -14.336 1.00 1.00 H +ATOM 1336 HB2 SER A 87 -3.637 18.504 -12.203 1.00 1.00 H +ATOM 1337 HB3 SER A 87 -3.498 20.212 -12.567 1.00 1.00 H +ATOM 1338 HG SER A 87 -5.922 20.229 -12.629 1.00 1.00 H +ATOM 1339 N THR A 88 -3.750 21.134 -15.247 1.00 1.00 N +ATOM 1340 CA THR A 88 -4.033 22.364 -15.966 1.00 1.00 C +ATOM 1341 C THR A 88 -3.107 22.498 -17.177 1.00 1.00 C +ATOM 1342 O THR A 88 -3.306 23.370 -18.022 1.00 1.00 O +ATOM 1343 CB THR A 88 -3.916 23.528 -14.981 1.00 1.00 C +ATOM 1344 OG1 THR A 88 -4.439 24.643 -15.696 1.00 1.00 O +ATOM 1345 CG2 THR A 88 -2.463 23.914 -14.700 1.00 1.00 C +ATOM 1346 H THR A 88 -2.791 21.001 -14.998 1.00 1.00 H +ATOM 1347 HA THR A 88 -5.052 22.312 -16.349 1.00 1.00 H +ATOM 1348 HB THR A 88 -4.446 23.307 -14.054 1.00 1.00 H +ATOM 1349 HG1 THR A 88 -5.394 24.474 -15.945 1.00 1.00 H +ATOM 1350 HG21 THR A 88 -1.942 24.079 -15.644 1.00 1.00 H +ATOM 1351 HG22 THR A 88 -2.437 24.828 -14.107 1.00 1.00 H +ATOM 1352 HG23 THR A 88 -1.973 23.109 -14.150 1.00 1.00 H +ATOM 1353 N VAL A 89 -2.115 21.620 -17.223 1.00 1.00 N +ATOM 1354 CA VAL A 89 -1.158 21.630 -18.317 1.00 1.00 C +ATOM 1355 C VAL A 89 -0.905 20.194 -18.778 1.00 1.00 C +ATOM 1356 O VAL A 89 0.189 19.662 -18.593 1.00 1.00 O +ATOM 1357 CB VAL A 89 0.120 22.354 -17.887 1.00 1.00 C +ATOM 1358 CG1 VAL A 89 0.062 23.837 -18.260 1.00 1.00 C +ATOM 1359 CG2 VAL A 89 0.374 22.176 -16.388 1.00 1.00 C +ATOM 1360 H VAL A 89 -1.961 20.915 -16.532 1.00 1.00 H +ATOM 1361 HA VAL A 89 -1.604 22.190 -19.139 1.00 1.00 H +ATOM 1362 HB VAL A 89 0.955 21.905 -18.424 1.00 1.00 H +ATOM 1363 HG11 VAL A 89 -0.816 24.022 -18.880 1.00 1.00 H +ATOM 1364 HG12 VAL A 89 0.000 24.438 -17.354 1.00 1.00 H +ATOM 1365 HG13 VAL A 89 0.961 24.107 -18.815 1.00 1.00 H +ATOM 1366 HG21 VAL A 89 -0.559 22.319 -15.842 1.00 1.00 H +ATOM 1367 HG22 VAL A 89 0.755 21.171 -16.201 1.00 1.00 H +ATOM 1368 HG23 VAL A 89 1.107 22.910 -16.055 1.00 1.00 H +ATOM 1369 N ALA A 90 -1.933 19.606 -19.373 1.00 1.00 N +ATOM 1370 CA ALA A 90 -1.837 18.243 -19.863 1.00 1.00 C +ATOM 1371 C ALA A 90 -0.861 18.197 -21.040 1.00 1.00 C +ATOM 1372 O ALA A 90 -1.274 18.033 -22.188 1.00 1.00 O +ATOM 1373 CB ALA A 90 -3.228 17.735 -20.240 1.00 1.00 C +ATOM 1374 H ALA A 90 -2.819 20.046 -19.519 1.00 1.00 H +ATOM 1375 HA ALA A 90 -1.444 17.626 -19.054 1.00 1.00 H +ATOM 1376 HB1 ALA A 90 -3.926 17.948 -19.428 1.00 1.00 H +ATOM 1377 HB2 ALA A 90 -3.565 18.237 -21.148 1.00 1.00 H +ATOM 1378 HB3 ALA A 90 -3.189 16.660 -20.411 1.00 1.00 H +ATOM 1379 N ASP A 91 0.416 18.346 -20.717 1.00 1.00 N +ATOM 1380 CA ASP A 91 1.452 18.324 -21.734 1.00 1.00 C +ATOM 1381 C ASP A 91 1.625 16.894 -22.251 1.00 1.00 C +ATOM 1382 O ASP A 91 2.405 16.651 -23.170 1.00 1.00 O +ATOM 1383 CB ASP A 91 2.796 18.785 -21.161 1.00 1.00 C +ATOM 1384 CG ASP A 91 3.948 17.793 -21.338 1.00 1.00 C +ATOM 1385 OD1 ASP A 91 3.827 16.678 -20.785 1.00 1.00 O +ATOM 1386 OD2 ASP A 91 4.922 18.172 -22.022 1.00 1.00 O +ATOM 1387 H ASP A 91 0.743 18.480 -19.781 1.00 1.00 H +ATOM 1388 HA ASP A 91 1.110 19.010 -22.509 1.00 1.00 H +ATOM 1389 HB2 ASP A 91 3.071 19.727 -21.634 1.00 1.00 H +ATOM 1390 HB3 ASP A 91 2.669 18.986 -20.097 1.00 1.00 H +ATOM 1391 N GLY A 92 0.882 15.984 -21.638 1.00 1.00 N +ATOM 1392 CA GLY A 92 0.942 14.585 -22.024 1.00 1.00 C +ATOM 1393 C GLY A 92 -0.462 13.999 -22.178 1.00 1.00 C +ATOM 1394 O GLY A 92 -0.814 13.492 -23.243 1.00 1.00 O +ATOM 1395 H GLY A 92 0.250 16.190 -20.891 1.00 1.00 H +ATOM 1396 HA2 GLY A 92 1.486 14.487 -22.963 1.00 1.00 H +ATOM 1397 HA3 GLY A 92 1.496 14.021 -21.273 1.00 1.00 H +ATOM 1398 N LEU A 93 -1.227 14.087 -21.100 1.00 1.00 N +ATOM 1399 CA LEU A 93 -2.586 13.570 -21.102 1.00 1.00 C +ATOM 1400 C LEU A 93 -3.432 14.375 -22.089 1.00 1.00 C +ATOM 1401 O LEU A 93 -3.199 15.568 -22.282 1.00 1.00 O +ATOM 1402 CB LEU A 93 -3.152 13.550 -19.681 1.00 1.00 C +ATOM 1403 CG LEU A 93 -2.214 13.029 -18.592 1.00 1.00 C +ATOM 1404 CD1 LEU A 93 -2.898 13.050 -17.223 1.00 1.00 C +ATOM 1405 CD2 LEU A 93 -1.679 11.641 -18.944 1.00 1.00 C +ATOM 1406 H LEU A 93 -0.934 14.500 -20.238 1.00 1.00 H +ATOM 1407 HA LEU A 93 -2.542 12.536 -21.446 1.00 1.00 H +ATOM 1408 HB2 LEU A 93 -3.456 14.562 -19.418 1.00 1.00 H +ATOM 1409 HB3 LEU A 93 -4.054 12.936 -19.679 1.00 1.00 H +ATOM 1410 HG LEU A 93 -1.356 13.698 -18.531 1.00 1.00 H +ATOM 1411 HD11 LEU A 93 -3.320 14.038 -17.041 1.00 1.00 H +ATOM 1412 HD12 LEU A 93 -3.693 12.305 -17.203 1.00 1.00 H +ATOM 1413 HD13 LEU A 93 -2.166 12.821 -16.447 1.00 1.00 H +ATOM 1414 HD21 LEU A 93 -1.602 11.545 -20.027 1.00 1.00 H +ATOM 1415 HD22 LEU A 93 -0.695 11.504 -18.495 1.00 1.00 H +ATOM 1416 HD23 LEU A 93 -2.361 10.881 -18.561 1.00 1.00 H +ATOM 1417 N ILE A 94 -4.395 13.692 -22.689 1.00 1.00 N +ATOM 1418 CA ILE A 94 -5.276 14.329 -23.653 1.00 1.00 C +ATOM 1419 C ILE A 94 -5.923 15.558 -23.011 1.00 1.00 C +ATOM 1420 O ILE A 94 -5.407 16.669 -23.132 1.00 1.00 O +ATOM 1421 CB ILE A 94 -6.286 13.320 -24.203 1.00 1.00 C +ATOM 1422 CG1 ILE A 94 -6.892 12.479 -23.077 1.00 1.00 C +ATOM 1423 CG2 ILE A 94 -5.655 12.449 -25.292 1.00 1.00 C +ATOM 1424 CD1 ILE A 94 -8.421 12.520 -23.125 1.00 1.00 C +ATOM 1425 H ILE A 94 -4.577 12.723 -22.527 1.00 1.00 H +ATOM 1426 HA ILE A 94 -4.661 14.659 -24.490 1.00 1.00 H +ATOM 1427 HB ILE A 94 -7.103 13.873 -24.667 1.00 1.00 H +ATOM 1428 HG12 ILE A 94 -6.547 11.449 -23.163 1.00 1.00 H +ATOM 1429 HG13 ILE A 94 -6.544 12.853 -22.114 1.00 1.00 H +ATOM 1430 HG21 ILE A 94 -4.680 12.857 -25.562 1.00 1.00 H +ATOM 1431 HG22 ILE A 94 -5.532 11.433 -24.919 1.00 1.00 H +ATOM 1432 HG23 ILE A 94 -6.300 12.440 -26.170 1.00 1.00 H +ATOM 1433 HD11 ILE A 94 -8.752 13.544 -23.290 1.00 1.00 H +ATOM 1434 HD12 ILE A 94 -8.775 11.886 -23.939 1.00 1.00 H +ATOM 1435 HD13 ILE A 94 -8.823 12.154 -22.180 1.00 1.00 H +ATOM 1436 N THR A 95 -7.041 15.319 -22.344 1.00 1.00 N +ATOM 1437 CA THR A 95 -7.763 16.393 -21.684 1.00 1.00 C +ATOM 1438 C THR A 95 -7.088 16.753 -20.359 1.00 1.00 C +ATOM 1439 O THR A 95 -5.869 16.637 -20.227 1.00 1.00 O +ATOM 1440 CB THR A 95 -9.220 15.955 -21.522 1.00 1.00 C +ATOM 1441 OG1 THR A 95 -9.739 16.832 -20.528 1.00 1.00 O +ATOM 1442 CG2 THR A 95 -9.347 14.564 -20.897 1.00 1.00 C +ATOM 1443 H THR A 95 -7.454 14.412 -22.250 1.00 1.00 H +ATOM 1444 HA THR A 95 -7.717 17.278 -22.317 1.00 1.00 H +ATOM 1445 HB THR A 95 -9.748 16.001 -22.475 1.00 1.00 H +ATOM 1446 HG1 THR A 95 -10.736 16.756 -20.490 1.00 1.00 H +ATOM 1447 HG21 THR A 95 -8.467 13.971 -21.145 1.00 1.00 H +ATOM 1448 HG22 THR A 95 -9.427 14.659 -19.813 1.00 1.00 H +ATOM 1449 HG23 THR A 95 -10.240 14.071 -21.284 1.00 1.00 H +ATOM 1450 N THR A 96 -7.908 17.184 -19.411 1.00 1.00 N +ATOM 1451 CA THR A 96 -7.404 17.562 -18.101 1.00 1.00 C +ATOM 1452 C THR A 96 -8.325 17.028 -17.002 1.00 1.00 C +ATOM 1453 O THR A 96 -9.510 17.357 -16.964 1.00 1.00 O +ATOM 1454 CB THR A 96 -7.248 19.084 -18.076 1.00 1.00 C +ATOM 1455 OG1 THR A 96 -8.576 19.566 -17.890 1.00 1.00 O +ATOM 1456 CG2 THR A 96 -6.833 19.652 -19.435 1.00 1.00 C +ATOM 1457 H THR A 96 -8.897 17.275 -19.527 1.00 1.00 H +ATOM 1458 HA THR A 96 -6.431 17.094 -17.959 1.00 1.00 H +ATOM 1459 HB THR A 96 -6.551 19.391 -17.297 1.00 1.00 H +ATOM 1460 HG1 THR A 96 -8.553 20.481 -17.486 1.00 1.00 H +ATOM 1461 HG21 THR A 96 -6.189 18.937 -19.946 1.00 1.00 H +ATOM 1462 HG22 THR A 96 -7.721 19.837 -20.039 1.00 1.00 H +ATOM 1463 HG23 THR A 96 -6.293 20.586 -19.288 1.00 1.00 H +ATOM 1464 N LEU A 97 -7.746 16.214 -16.133 1.00 1.00 N +ATOM 1465 CA LEU A 97 -8.498 15.631 -15.036 1.00 1.00 C +ATOM 1466 C LEU A 97 -9.717 16.507 -14.737 1.00 1.00 C +ATOM 1467 O LEU A 97 -9.598 17.727 -14.631 1.00 1.00 O +ATOM 1468 CB LEU A 97 -7.591 15.406 -13.824 1.00 1.00 C +ATOM 1469 CG LEU A 97 -6.166 15.950 -13.942 1.00 1.00 C +ATOM 1470 CD1 LEU A 97 -5.700 16.557 -12.616 1.00 1.00 C +ATOM 1471 CD2 LEU A 97 -5.207 14.871 -14.447 1.00 1.00 C +ATOM 1472 H LEU A 97 -6.780 15.952 -16.169 1.00 1.00 H +ATOM 1473 HA LEU A 97 -8.848 14.652 -15.363 1.00 1.00 H +ATOM 1474 HB2 LEU A 97 -8.063 15.861 -12.953 1.00 1.00 H +ATOM 1475 HB3 LEU A 97 -7.535 14.334 -13.631 1.00 1.00 H +ATOM 1476 HG LEU A 97 -6.167 16.753 -14.680 1.00 1.00 H +ATOM 1477 HD11 LEU A 97 -6.083 15.959 -11.789 1.00 1.00 H +ATOM 1478 HD12 LEU A 97 -4.611 16.566 -12.585 1.00 1.00 H +ATOM 1479 HD13 LEU A 97 -6.075 17.576 -12.532 1.00 1.00 H +ATOM 1480 HD21 LEU A 97 -5.667 13.890 -14.326 1.00 1.00 H +ATOM 1481 HD22 LEU A 97 -4.990 15.043 -15.501 1.00 1.00 H +ATOM 1482 HD23 LEU A 97 -4.281 14.911 -13.873 1.00 1.00 H +ATOM 1483 N HIS A 98 -10.860 15.851 -14.611 1.00 1.00 N +ATOM 1484 CA HIS A 98 -12.100 16.555 -14.327 1.00 1.00 C +ATOM 1485 C HIS A 98 -12.933 15.746 -13.329 1.00 1.00 C +ATOM 1486 O HIS A 98 -14.157 15.856 -13.305 1.00 1.00 O +ATOM 1487 CB HIS A 98 -12.859 16.861 -15.619 1.00 1.00 C +ATOM 1488 CG HIS A 98 -14.134 17.642 -15.412 1.00 1.00 C +ATOM 1489 ND1 HIS A 98 -14.202 19.018 -15.546 1.00 1.00 N +ATOM 1490 CD2 HIS A 98 -15.389 17.226 -15.079 1.00 1.00 C +ATOM 1491 CE1 HIS A 98 -15.447 19.401 -15.302 1.00 1.00 C +ATOM 1492 NE2 HIS A 98 -16.181 18.289 -15.012 1.00 1.00 N +ATOM 1493 H HIS A 98 -10.948 14.858 -14.699 1.00 1.00 H +ATOM 1494 HA HIS A 98 -11.822 17.504 -13.871 1.00 1.00 H +ATOM 1495 HB2 HIS A 98 -12.205 17.424 -16.287 1.00 1.00 H +ATOM 1496 HB3 HIS A 98 -13.095 15.924 -16.121 1.00 1.00 H +ATOM 1497 HD1 HIS A 98 -13.441 19.620 -15.787 1.00 1.00 H +ATOM 1498 HD2 HIS A 98 -15.692 16.194 -14.898 1.00 1.00 H +ATOM 1499 HE1 HIS A 98 -15.819 20.425 -15.330 1.00 1.00 H +ATOM 1500 N TYR A 99 -12.233 14.952 -12.530 1.00 1.00 N +ATOM 1501 CA TYR A 99 -12.893 14.125 -11.535 1.00 1.00 C +ATOM 1502 C TYR A 99 -11.952 13.820 -10.367 1.00 1.00 C +ATOM 1503 O TYR A 99 -11.850 12.675 -9.931 1.00 1.00 O +ATOM 1504 CB TYR A 99 -13.250 12.816 -12.241 1.00 1.00 C +ATOM 1505 CG TYR A 99 -12.328 11.647 -11.889 1.00 1.00 C +ATOM 1506 CD1 TYR A 99 -10.958 11.814 -11.929 1.00 1.00 C +ATOM 1507 CD2 TYR A 99 -12.864 10.427 -11.533 1.00 1.00 C +ATOM 1508 CE1 TYR A 99 -10.090 10.713 -11.598 1.00 1.00 C +ATOM 1509 CE2 TYR A 99 -11.997 9.327 -11.201 1.00 1.00 C +ATOM 1510 CZ TYR A 99 -10.652 9.524 -11.250 1.00 1.00 C +ATOM 1511 OH TYR A 99 -9.832 8.485 -10.937 1.00 1.00 O +ATOM 1512 H TYR A 99 -11.238 14.868 -12.558 1.00 1.00 H +ATOM 1513 HA TYR A 99 -13.758 14.674 -11.161 1.00 1.00 H +ATOM 1514 HB2 TYR A 99 -14.275 12.545 -11.987 1.00 1.00 H +ATOM 1515 HB3 TYR A 99 -13.221 12.978 -13.318 1.00 1.00 H +ATOM 1516 HD1 TYR A 99 -10.533 12.776 -12.211 1.00 1.00 H +ATOM 1517 HD2 TYR A 99 -13.947 10.296 -11.502 1.00 1.00 H +ATOM 1518 HE1 TYR A 99 -9.006 10.831 -11.624 1.00 1.00 H +ATOM 1519 HE2 TYR A 99 -12.408 8.359 -10.918 1.00 1.00 H +ATOM 1520 HH TYR A 99 -10.369 7.648 -10.824 1.00 1.00 H +ATOM 1521 N PRO A 100 -11.273 14.894 -9.880 1.00 1.00 N +ATOM 1522 CA PRO A 100 -10.344 14.752 -8.771 1.00 1.00 C +ATOM 1523 C PRO A 100 -11.093 14.584 -7.448 1.00 1.00 C +ATOM 1524 O PRO A 100 -10.492 14.658 -6.378 1.00 1.00 O +ATOM 1525 CB PRO A 100 -9.487 16.006 -8.814 1.00 1.00 C +ATOM 1526 CG PRO A 100 -10.263 17.014 -9.647 1.00 1.00 C +ATOM 1527 CD PRO A 100 -11.370 16.264 -10.372 1.00 1.00 C +ATOM 1528 HA PRO A 100 -9.795 13.924 -8.882 1.00 1.00 H +ATOM 1529 HB2 PRO A 100 -9.306 16.388 -7.809 1.00 1.00 H +ATOM 1530 HB3 PRO A 100 -8.514 15.800 -9.257 1.00 1.00 H +ATOM 1531 HG2 PRO A 100 -10.682 17.793 -9.011 1.00 1.00 H +ATOM 1532 HG3 PRO A 100 -9.603 17.506 -10.362 1.00 1.00 H +ATOM 1533 HD2 PRO A 100 -12.347 16.695 -10.154 1.00 1.00 H +ATOM 1534 HD3 PRO A 100 -11.235 16.309 -11.452 1.00 1.00 H +ATOM 1535 N ALA A 101 -12.394 14.359 -7.565 1.00 1.00 N +ATOM 1536 CA ALA A 101 -13.230 14.179 -6.391 1.00 1.00 C +ATOM 1537 C ALA A 101 -13.017 12.771 -5.828 1.00 1.00 C +ATOM 1538 O ALA A 101 -12.833 11.818 -6.585 1.00 1.00 O +ATOM 1539 CB ALA A 101 -14.692 14.444 -6.760 1.00 1.00 C +ATOM 1540 H ALA A 101 -12.874 14.298 -8.440 1.00 1.00 H +ATOM 1541 HA ALA A 101 -12.919 14.909 -5.646 1.00 1.00 H +ATOM 1542 HB1 ALA A 101 -14.739 15.231 -7.512 1.00 1.00 H +ATOM 1543 HB2 ALA A 101 -15.137 13.531 -7.158 1.00 1.00 H +ATOM 1544 HB3 ALA A 101 -15.239 14.756 -5.871 1.00 1.00 H +ATOM 1545 N PRO A 102 -13.049 12.684 -4.472 1.00 1.00 N +ATOM 1546 CA PRO A 102 -12.860 11.408 -3.800 1.00 1.00 C +ATOM 1547 C PRO A 102 -14.112 10.537 -3.920 1.00 1.00 C +ATOM 1548 O PRO A 102 -15.169 11.013 -4.329 1.00 1.00 O +ATOM 1549 CB PRO A 102 -12.523 11.769 -2.362 1.00 1.00 C +ATOM 1550 CG PRO A 102 -12.989 13.203 -2.171 1.00 1.00 C +ATOM 1551 CD PRO A 102 -13.263 13.791 -3.545 1.00 1.00 C +ATOM 1552 HA PRO A 102 -12.124 10.893 -4.235 1.00 1.00 H +ATOM 1553 HB2 PRO A 102 -13.025 11.099 -1.664 1.00 1.00 H +ATOM 1554 HB3 PRO A 102 -11.452 11.677 -2.178 1.00 1.00 H +ATOM 1555 HG2 PRO A 102 -13.888 13.234 -1.556 1.00 1.00 H +ATOM 1556 HG3 PRO A 102 -12.228 13.786 -1.652 1.00 1.00 H +ATOM 1557 HD2 PRO A 102 -14.281 14.175 -3.615 1.00 1.00 H +ATOM 1558 HD3 PRO A 102 -12.592 14.623 -3.761 1.00 1.00 H +ATOM 1559 N LYS A 103 -13.949 9.272 -3.557 1.00 1.00 N +ATOM 1560 CA LYS A 103 -15.053 8.328 -3.619 1.00 1.00 C +ATOM 1561 C LYS A 103 -15.556 8.045 -2.203 1.00 1.00 C +ATOM 1562 O LYS A 103 -14.773 7.706 -1.317 1.00 1.00 O +ATOM 1563 CB LYS A 103 -14.640 7.071 -4.387 1.00 1.00 C +ATOM 1564 CG LYS A 103 -13.589 6.275 -3.612 1.00 1.00 C +ATOM 1565 CD LYS A 103 -12.209 6.411 -4.259 1.00 1.00 C +ATOM 1566 CE LYS A 103 -11.367 7.467 -3.540 1.00 1.00 C +ATOM 1567 NZ LYS A 103 -9.964 7.012 -3.414 1.00 1.00 N +ATOM 1568 H LYS A 103 -13.086 8.893 -3.226 1.00 1.00 H +ATOM 1569 HA LYS A 103 -15.857 8.802 -4.184 1.00 1.00 H +ATOM 1570 HB2 LYS A 103 -15.515 6.447 -4.568 1.00 1.00 H +ATOM 1571 HB3 LYS A 103 -14.242 7.351 -5.363 1.00 1.00 H +ATOM 1572 HG2 LYS A 103 -13.546 6.629 -2.581 1.00 1.00 H +ATOM 1573 HG3 LYS A 103 -13.876 5.225 -3.577 1.00 1.00 H +ATOM 1574 HD2 LYS A 103 -11.696 5.451 -4.233 1.00 1.00 H +ATOM 1575 HD3 LYS A 103 -12.322 6.684 -5.308 1.00 1.00 H +ATOM 1576 HE2 LYS A 103 -11.404 8.406 -4.090 1.00 1.00 H +ATOM 1577 HE3 LYS A 103 -11.782 7.659 -2.551 1.00 1.00 H +ATOM 1578 HZ1 LYS A 103 -9.696 6.525 -4.245 1.00 1.00 H +ATOM 1579 HZ2 LYS A 103 -9.367 7.804 -3.286 1.00 1.00 H +ATOM 1580 HZ3 LYS A 103 -9.881 6.400 -2.627 1.00 1.00 H +ATOM 1581 N ARG A 104 -16.862 8.196 -2.032 1.00 1.00 N +ATOM 1582 CA ARG A 104 -17.479 7.961 -0.738 1.00 1.00 C +ATOM 1583 C ARG A 104 -18.100 6.565 -0.691 1.00 1.00 C +ATOM 1584 O ARG A 104 -17.890 5.818 0.264 1.00 1.00 O +ATOM 1585 CB ARG A 104 -18.562 9.004 -0.447 1.00 1.00 C +ATOM 1586 CG ARG A 104 -19.436 8.569 0.732 1.00 1.00 C +ATOM 1587 CD ARG A 104 -19.584 9.702 1.750 1.00 1.00 C +ATOM 1588 NE ARG A 104 -20.909 10.346 1.603 1.00 1.00 N +ATOM 1589 CZ ARG A 104 -21.120 11.664 1.726 1.00 1.00 C +ATOM 1590 NH1 ARG A 104 -20.098 12.485 2.000 1.00 1.00 N +ATOM 1591 NH2 ARG A 104 -22.357 12.159 1.576 1.00 1.00 N +ATOM 1592 H ARG A 104 -17.492 8.474 -2.757 1.00 1.00 H +ATOM 1593 HA ARG A 104 -16.665 8.053 -0.020 1.00 1.00 H +ATOM 1594 HB2 ARG A 104 -18.097 9.964 -0.226 1.00 1.00 H +ATOM 1595 HB3 ARG A 104 -19.183 9.144 -1.332 1.00 1.00 H +ATOM 1596 HG2 ARG A 104 -20.420 8.272 0.368 1.00 1.00 H +ATOM 1597 HG3 ARG A 104 -18.996 7.697 1.215 1.00 1.00 H +ATOM 1598 HD2 ARG A 104 -19.472 9.311 2.761 1.00 1.00 H +ATOM 1599 HD3 ARG A 104 -18.794 10.439 1.604 1.00 1.00 H +ATOM 1600 HE ARG A 104 -21.694 9.762 1.398 1.00 1.00 H +ATOM 1601 HH11 ARG A 104 -19.176 12.115 2.111 1.00 1.00 H +ATOM 1602 HH12 ARG A 104 -20.257 13.468 2.091 1.00 1.00 H +ATOM 1603 HH21 ARG A 104 -23.120 11.548 1.372 1.00 1.00 H +ATOM 1604 HH22 ARG A 104 -22.515 13.143 1.668 1.00 1.00 H +ATOM 1605 N GLY A 105 -18.855 6.251 -1.735 1.00 1.00 N +ATOM 1606 CA GLY A 105 -19.507 4.956 -1.826 1.00 1.00 C +ATOM 1607 C GLY A 105 -18.484 3.841 -2.048 1.00 1.00 C +ATOM 1608 O GLY A 105 -18.145 3.522 -3.187 1.00 1.00 O +ATOM 1609 H GLY A 105 -19.020 6.864 -2.508 1.00 1.00 H +ATOM 1610 HA2 GLY A 105 -20.068 4.763 -0.913 1.00 1.00 H +ATOM 1611 HA3 GLY A 105 -20.225 4.965 -2.647 1.00 1.00 H +ATOM 1612 N ILE A 106 -18.020 3.278 -0.943 1.00 1.00 N +ATOM 1613 CA ILE A 106 -17.042 2.206 -1.002 1.00 1.00 C +ATOM 1614 C ILE A 106 -17.768 0.858 -0.965 1.00 1.00 C +ATOM 1615 O ILE A 106 -17.695 0.084 -1.918 1.00 1.00 O +ATOM 1616 CB ILE A 106 -15.998 2.371 0.105 1.00 1.00 C +ATOM 1617 CG1 ILE A 106 -15.252 3.698 -0.042 1.00 1.00 C +ATOM 1618 CG2 ILE A 106 -15.042 1.177 0.139 1.00 1.00 C +ATOM 1619 CD1 ILE A 106 -15.509 4.606 1.163 1.00 1.00 C +ATOM 1620 H ILE A 106 -18.301 3.544 -0.020 1.00 1.00 H +ATOM 1621 HA ILE A 106 -16.521 2.291 -1.954 1.00 1.00 H +ATOM 1622 HB ILE A 106 -16.516 2.396 1.063 1.00 1.00 H +ATOM 1623 HG12 ILE A 106 -14.183 3.510 -0.137 1.00 1.00 H +ATOM 1624 HG13 ILE A 106 -15.570 4.200 -0.955 1.00 1.00 H +ATOM 1625 HG21 ILE A 106 -15.515 0.319 -0.339 1.00 1.00 H +ATOM 1626 HG22 ILE A 106 -14.126 1.429 -0.394 1.00 1.00 H +ATOM 1627 HG23 ILE A 106 -14.805 0.931 1.174 1.00 1.00 H +ATOM 1628 HD11 ILE A 106 -16.539 4.484 1.497 1.00 1.00 H +ATOM 1629 HD12 ILE A 106 -14.830 4.337 1.973 1.00 1.00 H +ATOM 1630 HD13 ILE A 106 -15.340 5.645 0.878 1.00 1.00 H +ATOM 1631 N HIS A 107 -18.450 0.619 0.145 1.00 1.00 N +ATOM 1632 CA HIS A 107 -19.188 -0.621 0.318 1.00 1.00 C +ATOM 1633 C HIS A 107 -19.965 -0.577 1.634 1.00 1.00 C +ATOM 1634 O HIS A 107 -19.765 -1.421 2.507 1.00 1.00 O +ATOM 1635 CB HIS A 107 -18.251 -1.827 0.222 1.00 1.00 C +ATOM 1636 CG HIS A 107 -17.485 -2.112 1.491 1.00 1.00 C +ATOM 1637 ND1 HIS A 107 -17.680 -3.258 2.244 1.00 1.00 N +ATOM 1638 CD2 HIS A 107 -16.522 -1.390 2.132 1.00 1.00 C +ATOM 1639 CE1 HIS A 107 -16.865 -3.216 3.288 1.00 1.00 C +ATOM 1640 NE2 HIS A 107 -16.149 -2.057 3.217 1.00 1.00 N +ATOM 1641 H HIS A 107 -18.505 1.253 0.917 1.00 1.00 H +ATOM 1642 HA HIS A 107 -19.895 -0.683 -0.510 1.00 1.00 H +ATOM 1643 HB2 HIS A 107 -18.838 -2.708 -0.042 1.00 1.00 H +ATOM 1644 HB3 HIS A 107 -17.543 -1.660 -0.589 1.00 1.00 H +ATOM 1645 HD1 HIS A 107 -18.326 -3.992 2.035 1.00 1.00 H +ATOM 1646 HD2 HIS A 107 -16.126 -0.428 1.807 1.00 1.00 H +ATOM 1647 HE1 HIS A 107 -16.782 -3.973 4.066 1.00 1.00 H +ATOM 1648 N ARG A 108 -20.836 0.417 1.737 1.00 1.00 N +ATOM 1649 CA ARG A 108 -21.645 0.582 2.933 1.00 1.00 C +ATOM 1650 C ARG A 108 -23.070 0.997 2.558 1.00 1.00 C +ATOM 1651 O ARG A 108 -23.263 1.943 1.796 1.00 1.00 O +ATOM 1652 CB ARG A 108 -21.042 1.637 3.865 1.00 1.00 C +ATOM 1653 CG ARG A 108 -20.457 0.988 5.121 1.00 1.00 C +ATOM 1654 CD ARG A 108 -18.967 1.307 5.259 1.00 1.00 C +ATOM 1655 NE ARG A 108 -18.529 1.083 6.654 1.00 1.00 N +ATOM 1656 CZ ARG A 108 -17.412 1.602 7.183 1.00 1.00 C +ATOM 1657 NH1 ARG A 108 -16.614 2.376 6.437 1.00 1.00 N +ATOM 1658 NH2 ARG A 108 -17.094 1.344 8.460 1.00 1.00 N +ATOM 1659 H ARG A 108 -20.993 1.099 1.024 1.00 1.00 H +ATOM 1660 HA ARG A 108 -21.635 -0.396 3.413 1.00 1.00 H +ATOM 1661 HB2 ARG A 108 -20.262 2.187 3.339 1.00 1.00 H +ATOM 1662 HB3 ARG A 108 -21.808 2.359 4.146 1.00 1.00 H +ATOM 1663 HG2 ARG A 108 -20.991 1.344 6.001 1.00 1.00 H +ATOM 1664 HG3 ARG A 108 -20.599 -0.091 5.077 1.00 1.00 H +ATOM 1665 HD2 ARG A 108 -18.388 0.679 4.582 1.00 1.00 H +ATOM 1666 HD3 ARG A 108 -18.780 2.341 4.972 1.00 1.00 H +ATOM 1667 HE ARG A 108 -19.102 0.508 7.240 1.00 1.00 H +ATOM 1668 HH11 ARG A 108 -16.852 2.567 5.484 1.00 1.00 H +ATOM 1669 HH12 ARG A 108 -15.780 2.762 6.832 1.00 1.00 H +ATOM 1670 HH21 ARG A 108 -17.690 0.765 9.017 1.00 1.00 H +ATOM 1671 HH22 ARG A 108 -16.260 1.730 8.855 1.00 1.00 H +ATOM 1672 N ASP A 109 -24.028 0.271 3.111 1.00 1.00 N +ATOM 1673 CA ASP A 109 -25.428 0.551 2.845 1.00 1.00 C +ATOM 1674 C ASP A 109 -25.660 2.063 2.896 1.00 1.00 C +ATOM 1675 O ASP A 109 -24.679 2.796 2.649 1.00 1.00 O +ATOM 1676 CB ASP A 109 -26.331 -0.101 3.894 1.00 1.00 C +ATOM 1677 CG ASP A 109 -26.253 -1.628 3.954 1.00 1.00 C +ATOM 1678 OD1 ASP A 109 -26.298 -2.222 2.809 1.00 1.00 O +ATOM 1679 OD2 ASP A 109 -26.156 -2.220 5.039 1.00 1.00 O +ATOM 1680 OXT ASP A 109 -26.770 2.515 3.170 1.00 1.00 O +ATOM 1681 H ASP A 109 -23.861 -0.497 3.731 1.00 1.00 H +ATOM 1682 HA ASP A 109 -25.621 0.133 1.857 1.00 1.00 H +ATOM 1683 HB2 ASP A 109 -26.072 0.301 4.873 1.00 1.00 H +ATOM 1684 HB3 ASP A 109 -27.363 0.189 3.693 1.00 1.00 H +TER 1685 ASP A 109 +ENDMDL +END diff --git a/Mobi/Tests/data/T0759.pdb b/Mobi/Tests/data/T0759.pdb new file mode 100644 index 0000000..d6c2a7c --- /dev/null +++ b/Mobi/Tests/data/T0759.pdb @@ -0,0 +1,4400 @@ +PFRMAT TS +TARGET T0759 +MODEL 1 +PARENT 1lm7_A 1lm5_A 1lm5_B +ATOM 1 N MET 1 52.191 50.297 76.411 1.00 7.57 +ATOM 2 CA MET 1 53.225 49.966 75.425 1.00 7.57 +ATOM 4 CB MET 1 54.216 48.954 76.018 1.00 7.57 +ATOM 7 CG MET 1 54.986 49.537 77.210 1.00 7.57 +ATOM 10 SD MET 1 56.223 48.428 77.941 1.00 7.57 +ATOM 11 CE MET 1 55.152 47.204 78.742 1.00 7.57 +ATOM 15 C MET 1 52.625 49.432 74.124 1.00 7.57 +ATOM 16 O MET 1 53.268 49.514 73.087 1.00 7.57 +ATOM 17 N GLY 2 51.354 49.012 74.135 1.00 6.36 +ATOM 19 CA GLY 2 50.537 49.001 72.914 1.00 6.36 +ATOM 22 C GLY 2 50.484 50.404 72.275 1.00 6.36 +ATOM 23 O GLY 2 50.651 50.573 71.066 1.00 6.36 +ATOM 24 N HIS 3 50.401 51.430 73.136 1.00 5.72 +ATOM 26 CA HIS 3 50.534 52.846 72.770 1.00 5.72 +ATOM 28 CB HIS 3 50.327 53.729 74.019 1.00 5.72 +ATOM 31 CG HIS 3 49.986 55.166 73.691 1.00 5.72 +ATOM 32 ND1 HIS 3 48.692 55.657 73.527 1.00 5.72 +ATOM 33 CE1 HIS 3 48.827 56.895 73.026 1.00 5.72 +ATOM 35 NE2 HIS 3 50.126 57.211 72.892 1.00 5.72 +ATOM 37 CD2 HIS 3 50.872 56.143 73.338 1.00 5.72 +ATOM 39 C HIS 3 51.860 53.181 72.064 1.00 5.72 +ATOM 40 O HIS 3 51.965 54.256 71.485 1.00 5.72 +ATOM 41 N HIS 4 52.866 52.289 72.042 1.00 5.99 +ATOM 43 CA HIS 4 54.047 52.488 71.194 1.00 5.99 +ATOM 45 CB HIS 4 55.057 51.334 71.324 1.00 5.99 +ATOM 48 CG HIS 4 56.297 51.493 70.468 1.00 5.99 +ATOM 49 ND1 HIS 4 56.910 50.464 69.752 1.00 5.99 +ATOM 50 CE1 HIS 4 57.823 51.053 68.965 1.00 5.99 +ATOM 52 NE2 HIS 4 57.827 52.382 69.160 1.00 5.99 +ATOM 54 CD2 HIS 4 56.894 52.674 70.127 1.00 5.99 +ATOM 56 C HIS 4 53.666 52.753 69.727 1.00 5.99 +ATOM 57 O HIS 4 54.292 53.605 69.088 1.00 5.99 +ATOM 58 N HIS 5 52.579 52.136 69.226 1.00 5.56 +ATOM 60 CA HIS 5 52.039 52.473 67.899 1.00 5.56 +ATOM 62 CB HIS 5 50.748 51.683 67.626 1.00 5.56 +ATOM 65 CG HIS 5 50.985 50.340 66.988 1.00 5.56 +ATOM 66 ND1 HIS 5 51.999 49.444 67.323 1.00 5.56 +ATOM 67 CE1 HIS 5 51.895 48.426 66.459 1.00 5.56 +ATOM 69 NE2 HIS 5 50.869 48.631 65.616 1.00 5.56 +ATOM 71 CD2 HIS 5 50.284 49.837 65.932 1.00 5.56 +ATOM 73 C HIS 5 51.780 53.980 67.745 1.00 5.56 +ATOM 74 O HIS 5 52.281 54.640 66.837 1.00 5.56 +ATOM 75 N HIS 6 51.020 54.539 68.675 1.00 4.29 +ATOM 77 CA HIS 6 50.518 55.911 68.670 1.00 4.29 +ATOM 79 CB HIS 6 49.215 55.908 69.489 1.00 4.29 +ATOM 82 CG HIS 6 48.227 54.882 69.009 1.00 4.29 +ATOM 83 ND1 HIS 6 48.107 53.578 69.500 1.00 4.29 +ATOM 84 CE1 HIS 6 47.198 52.981 68.713 1.00 4.29 +ATOM 86 NE2 HIS 6 46.767 53.830 67.768 1.00 4.29 +ATOM 88 CD2 HIS 6 47.397 55.038 67.942 1.00 4.29 +ATOM 90 C HIS 6 51.514 56.933 69.236 1.00 4.29 +ATOM 91 O HIS 6 51.121 57.861 69.954 1.00 4.29 +ATOM 92 N HIS 7 52.810 56.742 68.973 1.00 3.86 +ATOM 94 CA HIS 7 53.848 57.565 69.605 1.00 3.86 +ATOM 96 CB HIS 7 54.125 56.985 71.010 1.00 3.86 +ATOM 99 CG HIS 7 55.394 57.471 71.668 1.00 3.86 +ATOM 100 ND1 HIS 7 56.361 56.646 72.248 1.00 3.86 +ATOM 101 CE1 HIS 7 57.374 57.452 72.593 1.00 3.86 +ATOM 103 NE2 HIS 7 57.095 58.725 72.266 1.00 3.86 +ATOM 105 CD2 HIS 7 55.847 58.759 71.688 1.00 3.86 +ATOM 107 C HIS 7 55.146 57.685 68.822 1.00 3.86 +ATOM 108 O HIS 7 55.593 58.793 68.536 1.00 3.86 +ATOM 109 N HIS 8 55.791 56.566 68.505 1.00 3.40 +ATOM 111 CA HIS 8 57.100 56.589 67.856 1.00 3.40 +ATOM 113 CB HIS 8 58.250 56.557 68.884 1.00 3.40 +ATOM 116 CG HIS 8 59.596 56.972 68.320 1.00 3.40 +ATOM 117 ND1 HIS 8 60.401 57.991 68.837 1.00 3.40 +ATOM 118 CE1 HIS 8 61.474 58.067 68.038 1.00 3.40 +ATOM 120 NE2 HIS 8 61.390 57.159 67.051 1.00 3.40 +ATOM 122 CD2 HIS 8 60.220 56.454 67.216 1.00 3.40 +ATOM 124 C HIS 8 57.153 55.473 66.826 1.00 3.40 +ATOM 125 O HIS 8 57.769 54.431 67.070 1.00 3.40 +ATOM 126 N SER 9 56.465 55.675 65.697 1.00 2.85 +ATOM 128 CA SER 9 56.503 54.692 64.616 1.00 2.85 +ATOM 130 CB SER 9 55.559 55.015 63.460 1.00 2.85 +ATOM 133 OG SER 9 55.422 53.841 62.679 1.00 2.85 +ATOM 135 C SER 9 57.921 54.403 64.147 1.00 2.85 +ATOM 136 O SER 9 58.799 55.273 64.182 1.00 2.85 +ATOM 137 N HIS 10 58.164 53.144 63.780 1.00 3.21 +ATOM 139 CA HIS 10 59.497 52.552 63.720 1.00 3.21 +ATOM 141 CB HIS 10 59.425 51.056 64.041 1.00 3.21 +ATOM 144 CG HIS 10 60.801 50.473 64.177 1.00 3.21 +ATOM 145 ND1 HIS 10 61.672 50.724 65.239 1.00 3.21 +ATOM 146 CE1 HIS 10 62.854 50.212 64.868 1.00 3.21 +ATOM 148 NE2 HIS 10 62.765 49.669 63.643 1.00 3.21 +ATOM 150 CD2 HIS 10 61.478 49.824 63.192 1.00 3.21 +ATOM 152 C HIS 10 60.225 52.910 62.419 1.00 3.21 +ATOM 153 O HIS 10 60.437 52.133 61.495 1.00 3.21 +ATOM 154 N MET 11 60.555 54.186 62.358 1.00 2.33 +ATOM 156 CA MET 11 60.862 54.997 61.195 1.00 2.33 +ATOM 158 CB MET 11 60.861 56.449 61.706 1.00 2.33 +ATOM 161 CG MET 11 61.554 56.782 63.045 1.00 2.33 +ATOM 164 SD MET 11 63.330 57.126 62.980 1.00 2.33 +ATOM 165 CE MET 11 63.297 58.871 62.485 1.00 2.33 +ATOM 169 C MET 11 62.098 54.702 60.382 1.00 2.33 +ATOM 170 O MET 11 62.312 55.419 59.394 1.00 2.33 +ATOM 171 N VAL 12 62.865 53.708 60.836 1.00 1.92 +ATOM 173 CA VAL 12 64.292 53.419 60.655 1.00 1.92 +ATOM 175 CB VAL 12 65.091 54.101 61.801 1.00 1.92 +ATOM 177 CG1 VAL 12 66.254 53.332 62.441 1.00 1.92 +ATOM 181 CG2 VAL 12 65.702 55.394 61.269 1.00 1.92 +ATOM 185 C VAL 12 64.490 51.920 60.683 1.00 1.92 +ATOM 186 O VAL 12 63.915 51.230 61.517 1.00 1.92 +ATOM 187 N VAL 13 65.399 51.430 59.846 1.00 1.86 +ATOM 189 CA VAL 13 66.062 50.150 60.146 1.00 1.86 +ATOM 191 CB VAL 13 65.964 49.179 58.950 1.00 1.86 +ATOM 193 CG1 VAL 13 66.418 47.764 59.330 1.00 1.86 +ATOM 197 CG2 VAL 13 64.522 49.064 58.428 1.00 1.86 +ATOM 201 C VAL 13 67.495 50.527 60.495 1.00 1.86 +ATOM 202 O VAL 13 67.991 51.571 60.064 1.00 1.86 +ATOM 203 N ILE 14 68.176 49.705 61.276 1.00 2.12 +ATOM 205 CA ILE 14 69.624 49.814 61.414 1.00 2.12 +ATOM 207 CB ILE 14 70.088 50.143 62.853 1.00 2.12 +ATOM 209 CG2 ILE 14 69.517 51.500 63.305 1.00 2.12 +ATOM 213 CG1 ILE 14 69.864 49.051 63.927 1.00 2.12 +ATOM 216 CD1 ILE 14 68.413 48.655 64.236 1.00 2.12 +ATOM 220 C ILE 14 70.209 48.530 60.867 1.00 2.12 +ATOM 221 O ILE 14 69.693 47.445 61.134 1.00 2.12 +ATOM 222 N HIS 15 71.235 48.664 60.038 1.00 2.14 +ATOM 224 CA HIS 15 71.952 47.518 59.512 1.00 2.14 +ATOM 226 CB HIS 15 72.426 47.813 58.086 1.00 2.14 +ATOM 229 CG HIS 15 73.079 46.623 57.437 1.00 2.14 +ATOM 230 ND1 HIS 15 73.100 45.332 57.967 1.00 2.14 +ATOM 231 CE1 HIS 15 73.890 44.617 57.158 1.00 2.14 +ATOM 233 NE2 HIS 15 74.362 45.385 56.169 1.00 2.14 +ATOM 235 CD2 HIS 15 73.853 46.654 56.317 1.00 2.14 +ATOM 237 C HIS 15 73.069 47.173 60.483 1.00 2.14 +ATOM 238 O HIS 15 73.945 48.020 60.685 1.00 2.14 +ATOM 239 N PRO 16 73.028 45.997 61.139 1.00 2.55 +ATOM 240 CD PRO 16 72.003 44.959 61.083 1.00 2.55 +ATOM 243 CG PRO 16 72.230 44.082 62.310 1.00 2.55 +ATOM 246 CB PRO 16 73.736 44.191 62.524 1.00 2.55 +ATOM 249 CA PRO 16 74.040 45.634 62.111 1.00 2.55 +ATOM 251 C PRO 16 75.473 45.775 61.589 1.00 2.55 +ATOM 252 O PRO 16 76.303 46.300 62.323 1.00 2.55 +ATOM 253 N ASP 17 75.768 45.365 60.344 1.00 2.53 +ATOM 255 CA ASP 17 77.158 45.343 59.856 1.00 2.53 +ATOM 257 CB ASP 17 77.360 44.441 58.605 1.00 2.53 +ATOM 260 CG ASP 17 77.614 45.102 57.236 1.00 2.53 +ATOM 261 OD1 ASP 17 78.475 46.001 57.136 1.00 2.53 +ATOM 262 OD2 ASP 17 76.936 44.692 56.264 1.00 2.53 +ATOM 263 C ASP 17 77.866 46.715 59.833 1.00 2.53 +ATOM 264 O ASP 17 78.941 46.835 60.426 1.00 2.53 +ATOM 265 N PRO 18 77.253 47.792 59.302 1.00 2.60 +ATOM 266 CD PRO 18 76.132 47.806 58.374 1.00 2.60 +ATOM 269 CG PRO 18 75.849 49.275 58.080 1.00 2.60 +ATOM 272 CB PRO 18 77.238 49.886 58.232 1.00 2.60 +ATOM 275 CA PRO 18 77.793 49.135 59.445 1.00 2.60 +ATOM 277 C PRO 18 77.403 49.828 60.762 1.00 2.60 +ATOM 278 O PRO 18 77.759 50.993 60.947 1.00 2.60 +ATOM 279 N GLY 19 76.559 49.216 61.605 1.00 2.40 +ATOM 281 CA GLY 19 75.828 49.847 62.719 1.00 2.40 +ATOM 284 C GLY 19 74.788 50.905 62.312 1.00 2.40 +ATOM 285 O GLY 19 73.839 51.178 63.046 1.00 2.40 +ATOM 286 N ARG 20 74.979 51.522 61.142 1.00 2.03 +ATOM 288 CA ARG 20 74.239 52.678 60.641 1.00 2.03 +ATOM 290 CB ARG 20 74.730 53.050 59.243 1.00 2.03 +ATOM 293 CG ARG 20 76.124 53.670 59.131 1.00 2.03 +ATOM 296 CD ARG 20 76.346 54.170 57.691 1.00 2.03 +ATOM 299 NE ARG 20 76.349 53.081 56.686 1.00 2.03 +ATOM 301 CZ ARG 20 75.316 52.575 56.020 1.00 2.03 +ATOM 302 NH1 ARG 20 74.077 52.966 56.170 1.00 2.03 +ATOM 305 NH2 ARG 20 75.534 51.611 55.168 1.00 2.03 +ATOM 308 C ARG 20 72.729 52.487 60.545 1.00 2.03 +ATOM 309 O ARG 20 72.223 51.474 60.064 1.00 2.03 +ATOM 310 N GLU 21 72.057 53.611 60.778 1.00 1.92 +ATOM 312 CA GLU 21 70.799 53.951 60.128 1.00 1.92 +ATOM 314 CB GLU 21 70.597 55.482 60.150 1.00 1.92 +ATOM 317 CG GLU 21 70.511 56.173 61.511 1.00 1.92 +ATOM 320 CD GLU 21 70.674 57.688 61.312 1.00 1.92 +ATOM 321 OE1 GLU 21 71.752 58.233 61.639 1.00 1.92 +ATOM 322 OE2 GLU 21 69.745 58.360 60.799 1.00 1.92 +ATOM 323 C GLU 21 70.787 53.592 58.638 1.00 1.92 +ATOM 324 O GLU 21 71.751 53.822 57.891 1.00 1.92 +ATOM 325 N LEU 22 69.613 53.180 58.184 1.00 1.64 +ATOM 327 CA LEU 22 69.157 53.387 56.825 1.00 1.64 +ATOM 329 CB LEU 22 69.820 52.367 55.870 1.00 1.64 +ATOM 332 CG LEU 22 69.394 50.890 55.899 1.00 1.64 +ATOM 334 CD1 LEU 22 70.354 50.084 55.020 1.00 1.64 +ATOM 338 CD2 LEU 22 69.416 50.234 57.276 1.00 1.64 +ATOM 342 C LEU 22 67.628 53.498 56.784 1.00 1.64 +ATOM 343 O LEU 22 66.923 53.160 57.756 1.00 1.64 +ATOM 344 N SER 23 67.092 54.085 55.703 1.00 1.61 +ATOM 346 CA SER 23 65.640 54.139 55.582 1.00 1.61 +ATOM 348 CB SER 23 65.093 55.045 54.487 1.00 1.61 +ATOM 351 OG SER 23 65.248 54.570 53.188 1.00 1.61 +ATOM 353 C SER 23 65.086 52.763 55.379 1.00 1.61 +ATOM 354 O SER 23 65.816 51.904 54.908 1.00 1.61 +ATOM 355 N PRO 24 63.800 52.541 55.664 1.00 1.46 +ATOM 356 CD PRO 24 62.956 53.233 56.623 1.00 1.46 +ATOM 359 CG PRO 24 61.854 52.233 56.972 1.00 1.46 +ATOM 362 CB PRO 24 61.734 51.414 55.686 1.00 1.46 +ATOM 365 CA PRO 24 63.164 51.344 55.197 1.00 1.46 +ATOM 367 C PRO 24 63.325 51.030 53.693 1.00 1.46 +ATOM 368 O PRO 24 63.540 49.875 53.324 1.00 1.46 +ATOM 369 N GLU 25 63.295 52.062 52.847 1.00 1.52 +ATOM 371 CA GLU 25 63.574 51.979 51.404 1.00 1.52 +ATOM 373 CB GLU 25 63.191 53.351 50.800 1.00 1.52 +ATOM 376 CG GLU 25 63.848 53.767 49.475 1.00 1.52 +ATOM 379 CD GLU 25 63.244 53.143 48.212 1.00 1.52 +ATOM 380 OE1 GLU 25 63.943 53.100 47.169 1.00 1.52 +ATOM 381 OE2 GLU 25 62.044 52.822 48.250 1.00 1.52 +ATOM 382 C GLU 25 65.029 51.587 51.133 1.00 1.52 +ATOM 383 O GLU 25 65.279 50.664 50.363 1.00 1.52 +ATOM 384 N GLU 26 66.005 52.222 51.789 1.00 1.69 +ATOM 386 CA GLU 26 67.412 51.857 51.630 1.00 1.69 +ATOM 388 CB GLU 26 68.376 52.730 52.455 1.00 1.69 +ATOM 391 CG GLU 26 68.922 54.003 51.804 1.00 1.69 +ATOM 394 CD GLU 26 67.967 55.176 51.978 1.00 1.69 +ATOM 395 OE1 GLU 26 67.673 55.522 53.147 1.00 1.69 +ATOM 396 OE2 GLU 26 67.437 55.665 50.958 1.00 1.69 +ATOM 397 C GLU 26 67.695 50.412 52.080 1.00 1.69 +ATOM 398 O GLU 26 68.507 49.723 51.471 1.00 1.69 +ATOM 399 N ALA 27 67.066 49.973 53.170 1.00 1.64 +ATOM 401 CA ALA 27 67.208 48.649 53.755 1.00 1.64 +ATOM 403 CB ALA 27 66.466 48.597 55.100 1.00 1.64 +ATOM 407 C ALA 27 66.678 47.571 52.798 1.00 1.64 +ATOM 408 O ALA 27 67.316 46.522 52.598 1.00 1.64 +ATOM 409 N HIS 28 65.532 47.865 52.166 1.00 1.79 +ATOM 411 CA HIS 28 65.004 47.018 51.104 1.00 1.79 +ATOM 413 CB HIS 28 63.633 47.529 50.648 1.00 1.79 +ATOM 416 CG HIS 28 63.267 47.033 49.270 1.00 1.79 +ATOM 417 ND1 HIS 28 62.937 45.715 48.959 1.00 1.79 +ATOM 418 CE1 HIS 28 63.025 45.619 47.626 1.00 1.79 +ATOM 420 NE2 HIS 28 63.329 46.812 47.086 1.00 1.79 +ATOM 422 CD2 HIS 28 63.489 47.719 48.109 1.00 1.79 +ATOM 424 C HIS 28 65.971 46.921 49.926 1.00 1.79 +ATOM 425 O HIS 28 66.338 45.822 49.517 1.00 1.79 +ATOM 426 N ARG 29 66.469 48.062 49.426 1.00 2.11 +ATOM 428 CA ARG 29 67.493 48.064 48.369 1.00 2.11 +ATOM 430 CB ARG 29 67.977 49.487 48.038 1.00 2.11 +ATOM 433 CG ARG 29 66.962 50.473 47.442 1.00 2.11 +ATOM 436 CD ARG 29 67.674 51.829 47.307 1.00 2.11 +ATOM 439 NE ARG 29 66.735 52.958 47.196 1.00 2.11 +ATOM 441 CZ ARG 29 66.856 54.162 47.728 1.00 2.11 +ATOM 442 NH1 ARG 29 67.871 54.490 48.477 1.00 2.11 +ATOM 445 NH2 ARG 29 65.912 55.033 47.542 1.00 2.11 +ATOM 448 C ARG 29 68.735 47.255 48.750 1.00 2.11 +ATOM 449 O ARG 29 69.388 46.717 47.861 1.00 2.11 +ATOM 450 N ALA 30 69.093 47.199 50.038 1.00 2.31 +ATOM 452 CA ALA 30 70.299 46.494 50.472 1.00 2.31 +ATOM 454 CB ALA 30 70.833 47.198 51.728 1.00 2.31 +ATOM 458 C ALA 30 70.000 45.013 50.755 1.00 2.31 +ATOM 459 O ALA 30 70.909 44.250 51.072 1.00 2.31 +ATOM 460 N GLY 31 68.727 44.609 50.685 1.00 2.42 +ATOM 462 CA GLY 31 68.285 43.253 50.976 1.00 2.42 +ATOM 465 C GLY 31 68.271 42.891 52.462 1.00 2.42 +ATOM 466 O GLY 31 68.025 41.741 52.817 1.00 2.42 +ATOM 467 N LEU 32 68.509 43.878 53.324 1.00 2.19 +ATOM 469 CA LEU 32 68.426 43.751 54.770 1.00 2.19 +ATOM 471 CB LEU 32 69.296 44.895 55.342 1.00 2.19 +ATOM 474 CG LEU 32 69.683 44.887 56.834 1.00 2.19 +ATOM 476 CD1 LEU 32 68.629 45.496 57.758 1.00 2.19 +ATOM 480 CD2 LEU 32 70.095 43.508 57.350 1.00 2.19 +ATOM 484 C LEU 32 66.981 43.775 55.276 1.00 2.19 +ATOM 485 O LEU 32 66.721 43.262 56.364 1.00 2.19 +ATOM 486 N ILE 33 66.027 44.282 54.483 1.00 2.10 +ATOM 488 CA ILE 33 64.610 43.929 54.733 1.00 2.10 +ATOM 490 CB ILE 33 63.882 45.086 55.455 1.00 2.10 +ATOM 492 CG2 ILE 33 63.757 46.303 54.537 1.00 2.10 +ATOM 496 CG1 ILE 33 62.505 44.659 56.002 1.00 2.10 +ATOM 499 CD1 ILE 33 61.886 45.689 56.960 1.00 2.10 +ATOM 503 C ILE 33 63.936 43.462 53.438 1.00 2.10 +ATOM 504 O ILE 33 64.219 43.970 52.361 1.00 2.10 +ATOM 505 N ASP 34 63.039 42.482 53.537 1.00 2.25 +ATOM 507 CA ASP 34 62.183 42.078 52.418 1.00 2.25 +ATOM 509 CB ASP 34 61.393 40.806 52.828 1.00 2.25 +ATOM 512 CG ASP 34 59.906 40.807 52.434 1.00 2.25 +ATOM 513 OD1 ASP 34 59.056 40.937 53.342 1.00 2.25 +ATOM 514 OD2 ASP 34 59.591 40.762 51.224 1.00 2.25 +ATOM 515 C ASP 34 61.249 43.211 51.970 1.00 2.25 +ATOM 516 O ASP 34 60.745 43.968 52.801 1.00 2.25 +ATOM 517 N TRP 35 60.946 43.254 50.668 1.00 2.09 +ATOM 519 CA TRP 35 59.991 44.184 50.060 1.00 2.09 +ATOM 521 CB TRP 35 59.724 43.772 48.606 1.00 2.09 +ATOM 524 CG TRP 35 58.646 44.547 47.900 1.00 2.09 +ATOM 525 CD1 TRP 35 57.372 44.126 47.725 1.00 2.09 +ATOM 527 NE1 TRP 35 56.656 45.076 47.019 1.00 2.09 +ATOM 529 CE2 TRP 35 57.450 46.148 46.667 1.00 2.09 +ATOM 530 CZ2 TRP 35 57.213 47.316 45.923 1.00 2.09 +ATOM 532 CH2 TRP 35 58.261 48.236 45.741 1.00 2.09 +ATOM 534 CZ3 TRP 35 59.510 47.999 46.340 1.00 2.09 +ATOM 536 CE3 TRP 35 59.723 46.834 47.100 1.00 2.09 +ATOM 538 CD2 TRP 35 58.717 45.859 47.256 1.00 2.09 +ATOM 539 C TRP 35 58.671 44.316 50.824 1.00 2.09 +ATOM 540 O TRP 35 58.175 45.423 51.053 1.00 2.09 +ATOM 541 N ASN 36 58.096 43.183 51.222 1.00 2.27 +ATOM 543 CA ASN 36 56.780 43.097 51.838 1.00 2.27 +ATOM 545 CB ASN 36 56.312 41.637 51.676 1.00 2.27 +ATOM 548 CG ASN 36 54.808 41.493 51.698 1.00 2.27 +ATOM 549 OD1 ASN 36 54.168 41.680 52.718 1.00 2.27 +ATOM 550 ND2 ASN 36 54.192 41.141 50.596 1.00 2.27 +ATOM 553 C ASN 36 56.796 43.602 53.301 1.00 2.27 +ATOM 554 O ASN 36 55.865 44.278 53.758 1.00 2.27 +ATOM 555 N MET 37 57.848 43.317 54.071 1.00 2.13 +ATOM 557 CA MET 37 58.041 43.898 55.405 1.00 2.13 +ATOM 559 CB MET 37 59.128 43.141 56.183 1.00 2.13 +ATOM 562 CG MET 37 58.742 41.702 56.556 1.00 2.13 +ATOM 565 SD MET 37 57.168 41.481 57.438 1.00 2.13 +ATOM 566 CE MET 37 57.288 39.700 57.761 1.00 2.13 +ATOM 570 C MET 37 58.324 45.405 55.364 1.00 2.13 +ATOM 571 O MET 37 57.747 46.162 56.146 1.00 2.13 +ATOM 572 N PHE 38 59.125 45.857 54.402 1.00 1.75 +ATOM 574 CA PHE 38 59.364 47.270 54.101 1.00 1.75 +ATOM 576 CB PHE 38 60.410 47.305 52.973 1.00 1.75 +ATOM 579 CG PHE 38 60.446 48.471 52.009 1.00 1.75 +ATOM 580 CD1 PHE 38 60.451 49.800 52.464 1.00 1.75 +ATOM 582 CE1 PHE 38 60.546 50.851 51.533 1.00 1.75 +ATOM 584 CZ PHE 38 60.663 50.576 50.163 1.00 1.75 +ATOM 586 CE2 PHE 38 60.709 49.254 49.712 1.00 1.75 +ATOM 588 CD2 PHE 38 60.572 48.207 50.632 1.00 1.75 +ATOM 590 C PHE 38 58.072 48.038 53.783 1.00 1.75 +ATOM 591 O PHE 38 57.844 49.113 54.351 1.00 1.75 +ATOM 592 N VAL 39 57.189 47.476 52.942 1.00 1.77 +ATOM 594 CA VAL 39 55.896 48.105 52.617 1.00 1.77 +ATOM 596 CB VAL 39 55.227 47.569 51.323 1.00 1.77 +ATOM 598 CG1 VAL 39 54.380 46.307 51.492 1.00 1.77 +ATOM 602 CG2 VAL 39 54.319 48.631 50.683 1.00 1.77 +ATOM 606 C VAL 39 54.932 48.129 53.794 1.00 1.77 +ATOM 607 O VAL 39 54.261 49.146 53.972 1.00 1.77 +ATOM 608 N LYS 40 54.908 47.085 54.642 1.00 1.99 +ATOM 610 CA LYS 40 54.169 47.174 55.915 1.00 1.99 +ATOM 612 CB LYS 40 54.272 45.881 56.741 1.00 1.99 +ATOM 615 CG LYS 40 53.499 44.701 56.148 1.00 1.99 +ATOM 618 CD LYS 40 53.714 43.442 57.009 1.00 1.99 +ATOM 621 CE LYS 40 53.604 42.171 56.165 1.00 1.99 +ATOM 624 NZ LYS 40 54.796 42.014 55.299 1.00 1.99 +ATOM 628 C LYS 40 54.637 48.335 56.786 1.00 1.99 +ATOM 629 O LYS 40 53.830 49.165 57.190 1.00 1.99 +ATOM 630 N LEU 41 55.944 48.393 57.043 1.00 1.85 +ATOM 632 CA LEU 41 56.552 49.383 57.927 1.00 1.85 +ATOM 634 CB LEU 41 58.061 49.102 57.972 1.00 1.85 +ATOM 637 CG LEU 41 58.826 49.945 58.999 1.00 1.85 +ATOM 639 CD1 LEU 41 58.231 49.788 60.398 1.00 1.85 +ATOM 643 CD2 LEU 41 60.276 49.459 59.019 1.00 1.85 +ATOM 647 C LEU 41 56.206 50.808 57.491 1.00 1.85 +ATOM 648 O LEU 41 55.556 51.547 58.229 1.00 1.85 +ATOM 649 N ARG 42 56.497 51.108 56.221 1.00 1.62 +ATOM 651 CA ARG 42 56.062 52.335 55.541 1.00 1.62 +ATOM 653 CB ARG 42 56.325 52.147 54.039 1.00 1.62 +ATOM 656 CG ARG 42 57.563 52.878 53.550 1.00 1.62 +ATOM 659 CD ARG 42 58.829 52.509 54.309 1.00 1.62 +ATOM 662 NE ARG 42 59.207 53.534 55.296 1.00 1.62 +ATOM 664 CZ ARG 42 59.948 54.605 55.100 1.00 1.62 +ATOM 665 NH1 ARG 42 60.496 54.837 53.935 1.00 1.62 +ATOM 668 NH2 ARG 42 60.169 55.421 56.081 1.00 1.62 +ATOM 671 C ARG 42 54.589 52.643 55.726 1.00 1.62 +ATOM 672 O ARG 42 54.244 53.768 56.046 1.00 1.62 +ATOM 673 N SER 43 53.716 51.666 55.517 1.00 1.93 +ATOM 675 CA SER 43 52.274 51.884 55.635 1.00 1.93 +ATOM 677 CB SER 43 51.503 50.663 55.131 1.00 1.93 +ATOM 680 OG SER 43 51.868 50.324 53.804 1.00 1.93 +ATOM 682 C SER 43 51.830 52.186 57.044 1.00 1.93 +ATOM 683 O SER 43 50.841 52.870 57.195 1.00 1.93 +ATOM 684 N GLN 44 52.561 51.754 58.072 1.00 2.22 +ATOM 686 CA GLN 44 52.324 52.159 59.459 1.00 2.22 +ATOM 688 CB GLN 44 52.307 50.925 60.375 1.00 2.22 +ATOM 691 CG GLN 44 50.962 50.169 60.272 1.00 2.22 +ATOM 694 CD GLN 44 50.793 49.330 59.004 1.00 2.22 +ATOM 695 OE1 GLN 44 51.348 48.248 58.880 1.00 2.22 +ATOM 696 NE2 GLN 44 50.001 49.727 58.031 1.00 2.22 +ATOM 699 C GLN 44 53.201 53.332 59.920 1.00 2.22 +ATOM 700 O GLN 44 53.183 53.723 61.087 1.00 2.22 +ATOM 701 N GLU 45 53.882 53.966 58.971 1.00 2.06 +ATOM 703 CA GLU 45 54.248 55.375 59.025 1.00 2.06 +ATOM 705 CB GLU 45 55.661 55.577 58.445 1.00 2.06 +ATOM 708 CG GLU 45 56.741 54.776 59.202 1.00 2.06 +ATOM 711 CD GLU 45 58.061 54.776 58.433 1.00 2.06 +ATOM 712 OE1 GLU 45 58.504 53.729 57.902 1.00 2.06 +ATOM 713 OE2 GLU 45 58.665 55.865 58.282 1.00 2.06 +ATOM 714 C GLU 45 53.182 56.258 58.336 1.00 2.06 +ATOM 715 O GLU 45 52.741 57.168 59.012 1.00 2.06 +ATOM 716 N CYS 46 52.640 56.009 57.124 1.00 2.49 +ATOM 718 CA CYS 46 51.534 56.867 56.632 1.00 2.49 +ATOM 720 CB CYS 46 51.007 56.666 55.190 1.00 2.49 +ATOM 723 SG CYS 46 51.147 55.009 54.487 1.00 2.49 +ATOM 725 C CYS 46 50.230 56.749 57.423 1.00 2.49 +ATOM 726 O CYS 46 49.489 57.710 57.625 1.00 2.49 +ATOM 727 N ASP 47 49.876 55.531 57.790 1.00 3.82 +ATOM 729 CA ASP 47 48.703 55.278 58.596 1.00 3.82 +ATOM 731 CB ASP 47 48.431 53.760 58.757 1.00 3.82 +ATOM 734 CG ASP 47 47.988 52.976 57.546 1.00 3.82 +ATOM 735 OD1 ASP 47 48.034 51.724 57.624 1.00 3.82 +ATOM 736 OD2 ASP 47 47.359 53.533 56.629 1.00 3.82 +ATOM 737 C ASP 47 48.905 55.756 60.033 1.00 3.82 +ATOM 738 O ASP 47 48.123 55.377 60.907 1.00 3.82 +ATOM 739 N TRP 48 50.013 56.433 60.343 1.00 4.87 +ATOM 741 CA TRP 48 50.356 56.680 61.717 1.00 4.87 +ATOM 743 CB TRP 48 51.825 57.079 61.785 1.00 4.87 +ATOM 746 CG TRP 48 52.511 57.417 63.068 1.00 4.87 +ATOM 747 CD1 TRP 48 52.044 57.344 64.336 1.00 4.87 +ATOM 749 NE1 TRP 48 52.986 57.884 65.196 1.00 4.87 +ATOM 751 CE2 TRP 48 54.135 58.236 64.535 1.00 4.87 +ATOM 752 CZ2 TRP 48 55.339 58.813 64.952 1.00 4.87 +ATOM 754 CH2 TRP 48 56.330 59.083 63.997 1.00 4.87 +ATOM 756 CZ3 TRP 48 56.095 58.797 62.638 1.00 4.87 +ATOM 758 CE3 TRP 48 54.874 58.233 62.230 1.00 4.87 +ATOM 760 CD2 TRP 48 53.864 57.942 63.172 1.00 4.87 +ATOM 761 C TRP 48 49.312 57.568 62.389 1.00 4.87 +ATOM 762 O TRP 48 49.233 58.777 62.169 1.00 4.87 +ATOM 763 N GLU 49 48.466 56.845 63.130 1.00 6.30 +ATOM 765 CA GLU 49 47.145 57.196 63.653 1.00 6.30 +ATOM 767 CB GLU 49 46.577 55.876 64.215 1.00 6.30 +ATOM 770 CG GLU 49 45.139 55.893 64.754 1.00 6.30 +ATOM 773 CD GLU 49 44.675 54.501 65.237 1.00 6.30 +ATOM 774 OE1 GLU 49 45.524 53.584 65.349 1.00 6.30 +ATOM 775 OE2 GLU 49 43.473 54.364 65.546 1.00 6.30 +ATOM 776 C GLU 49 47.228 58.294 64.724 1.00 6.30 +ATOM 777 O GLU 49 46.236 58.945 65.044 1.00 6.30 +ATOM 778 N GLU 50 48.446 58.584 65.192 1.00 5.86 +ATOM 780 CA GLU 50 48.895 59.953 65.469 1.00 5.86 +ATOM 782 CB GLU 50 50.355 59.923 65.939 1.00 5.86 +ATOM 785 CG GLU 50 50.900 61.273 66.439 1.00 5.86 +ATOM 788 CD GLU 50 52.429 61.328 66.299 1.00 5.86 +ATOM 789 OE1 GLU 50 53.077 60.334 66.691 1.00 5.86 +ATOM 790 OE2 GLU 50 52.944 62.355 65.789 1.00 5.86 +ATOM 791 C GLU 50 48.751 60.847 64.224 1.00 5.86 +ATOM 792 O GLU 50 49.700 61.225 63.527 1.00 5.86 +ATOM 793 N ILE 51 47.511 61.165 63.917 1.00 5.23 +ATOM 795 CA ILE 51 47.109 62.083 62.872 1.00 5.23 +ATOM 797 CB ILE 51 45.606 61.785 62.583 1.00 5.23 +ATOM 799 CG2 ILE 51 44.675 61.962 63.804 1.00 5.23 +ATOM 803 CG1 ILE 51 45.071 62.563 61.365 1.00 5.23 +ATOM 806 CD1 ILE 51 43.654 62.182 60.924 1.00 5.23 +ATOM 810 C ILE 51 47.443 63.535 63.285 1.00 5.23 +ATOM 811 O ILE 51 46.599 64.388 63.545 1.00 5.23 +ATOM 812 N SER 52 48.742 63.799 63.396 1.00 5.64 +ATOM 814 CA SER 52 49.336 65.122 63.313 1.00 5.64 +ATOM 816 CB SER 52 49.354 65.799 64.694 1.00 5.64 +ATOM 819 OG SER 52 48.056 66.154 65.105 1.00 5.64 +ATOM 821 C SER 52 50.760 65.058 62.716 1.00 5.64 +ATOM 822 O SER 52 51.734 65.204 63.479 1.00 5.64 +ATOM 823 N VAL 53 50.983 64.947 61.375 1.00 6.24 +ATOM 825 CA VAL 53 52.002 65.883 60.883 1.00 6.24 +ATOM 827 CB VAL 53 52.730 65.684 59.541 1.00 6.24 +ATOM 829 CG1 VAL 53 54.004 66.550 59.506 1.00 6.24 +ATOM 833 CG2 VAL 53 53.169 64.248 59.393 1.00 6.24 +ATOM 837 C VAL 53 51.352 67.241 60.884 1.00 6.24 +ATOM 838 O VAL 53 50.317 67.467 60.272 1.00 6.24 +ATOM 839 N LYS 54 51.998 68.176 61.571 1.00 7.79 +ATOM 841 CA LYS 54 51.643 69.560 61.356 1.00 7.79 +ATOM 843 CB LYS 54 52.229 70.492 62.438 1.00 7.79 +ATOM 846 CG LYS 54 53.753 70.463 62.644 1.00 7.79 +ATOM 849 CD LYS 54 54.149 71.477 63.721 1.00 7.79 +ATOM 852 CE LYS 54 55.672 71.484 63.928 1.00 7.79 +ATOM 855 NZ LYS 54 56.086 72.484 64.953 1.00 7.79 +ATOM 859 C LYS 54 51.933 69.990 59.923 1.00 7.79 +ATOM 860 O LYS 54 53.071 70.269 59.565 1.00 7.79 +ATOM 861 N GLY 55 50.879 69.993 59.114 1.00 8.93 +ATOM 863 CA GLY 55 50.893 70.279 57.690 1.00 8.93 +ATOM 866 C GLY 55 49.560 70.767 57.158 1.00 8.93 +ATOM 867 O GLY 55 49.511 71.432 56.120 1.00 8.93 +ATOM 868 N PRO 56 48.431 70.558 57.891 1.00 9.47 +ATOM 869 CD PRO 56 47.921 71.683 58.665 1.00 9.47 +ATOM 872 CG PRO 56 46.418 71.461 58.841 1.00 9.47 +ATOM 875 CB PRO 56 46.067 70.624 57.623 1.00 9.47 +ATOM 878 CA PRO 56 47.304 69.690 57.554 1.00 9.47 +ATOM 880 C PRO 56 47.279 68.891 56.243 1.00 9.47 +ATOM 881 O PRO 56 46.569 67.855 56.164 1.00 9.47 +ATOM 882 N ASN 57 48.043 69.232 55.219 1.00 10.04 +ATOM 884 CA ASN 57 48.301 68.392 54.049 1.00 10.04 +ATOM 886 CB ASN 57 48.870 69.250 52.901 1.00 10.04 +ATOM 889 CG ASN 57 48.770 68.565 51.542 1.00 10.04 +ATOM 890 OD1 ASN 57 47.946 68.905 50.709 1.00 10.04 +ATOM 891 ND2 ASN 57 49.577 67.568 51.282 1.00 10.04 +ATOM 894 C ASN 57 49.159 67.140 54.372 1.00 10.04 +ATOM 895 O ASN 57 50.279 66.976 53.889 1.00 10.04 +ATOM 896 N GLY 58 48.648 66.298 55.263 1.00 8.31 +ATOM 898 CA GLY 58 49.427 65.334 56.030 1.00 8.31 +ATOM 901 C GLY 58 49.113 65.417 57.526 1.00 8.31 +ATOM 902 O GLY 58 49.984 65.232 58.379 1.00 8.31 +ATOM 903 N GLU 59 47.853 65.704 57.873 1.00 6.08 +ATOM 905 CA GLU 59 47.419 65.414 59.237 1.00 6.08 +ATOM 907 CB GLU 59 45.883 65.493 59.420 1.00 6.08 +ATOM 910 CG GLU 59 45.088 66.725 58.977 1.00 6.08 +ATOM 913 CD GLU 59 45.304 67.984 59.826 1.00 6.08 +ATOM 914 OE1 GLU 59 46.388 68.120 60.434 1.00 6.08 +ATOM 915 OE2 GLU 59 44.390 68.838 59.791 1.00 6.08 +ATOM 916 C GLU 59 47.802 63.993 59.631 1.00 6.08 +ATOM 917 O GLU 59 48.337 63.806 60.700 1.00 6.08 +ATOM 918 N SER 60 47.627 63.001 58.754 1.00 4.21 +ATOM 920 CA SER 60 48.242 61.689 58.943 1.00 4.21 +ATOM 922 CB SER 60 48.143 60.866 57.637 1.00 4.21 +ATOM 925 OG SER 60 48.308 61.650 56.460 1.00 4.21 +ATOM 927 C SER 60 49.693 61.814 59.317 1.00 4.21 +ATOM 928 O SER 60 50.419 62.453 58.553 1.00 4.21 +ATOM 929 N SER 61 50.159 61.200 60.427 1.00 2.56 +ATOM 931 CA SER 61 51.613 61.066 60.437 1.00 2.56 +ATOM 933 CB SER 61 52.119 60.459 61.725 1.00 2.56 +ATOM 936 OG SER 61 52.082 61.459 62.697 1.00 2.56 +ATOM 938 C SER 61 52.074 60.298 59.206 1.00 2.56 +ATOM 939 O SER 61 51.354 59.453 58.690 1.00 2.56 +ATOM 940 N VAL 62 53.206 60.707 58.651 1.00 2.10 +ATOM 942 CA VAL 62 53.591 60.311 57.300 1.00 2.10 +ATOM 944 CB VAL 62 52.800 61.159 56.268 1.00 2.10 +ATOM 946 CG1 VAL 62 53.205 62.628 56.239 1.00 2.10 +ATOM 950 CG2 VAL 62 52.751 60.552 54.869 1.00 2.10 +ATOM 954 C VAL 62 55.105 60.243 57.175 1.00 2.10 +ATOM 955 O VAL 62 55.776 60.875 57.991 1.00 2.10 +ATOM 956 N ILE 63 55.594 59.382 56.263 1.00 1.85 +ATOM 958 CA ILE 63 56.913 58.710 56.229 1.00 1.85 +ATOM 960 CB ILE 63 57.518 58.793 54.777 1.00 1.85 +ATOM 962 CG2 ILE 63 59.027 58.486 54.716 1.00 1.85 +ATOM 966 CG1 ILE 63 56.898 57.957 53.659 1.00 1.85 +ATOM 969 CD1 ILE 63 57.203 56.468 53.760 1.00 1.85 +ATOM 973 C ILE 63 57.914 59.498 57.069 1.00 1.85 +ATOM 974 O ILE 63 58.175 60.661 56.734 1.00 1.85 +ATOM 975 N HIS 64 58.591 58.909 58.060 1.00 2.11 +ATOM 977 CA HIS 64 59.675 59.721 58.593 1.00 2.11 +ATOM 979 CB HIS 64 60.102 59.168 59.952 1.00 2.11 +ATOM 982 CG HIS 64 59.823 60.045 61.146 1.00 2.11 +ATOM 983 ND1 HIS 64 60.077 61.413 61.237 1.00 2.11 +ATOM 984 CE1 HIS 64 59.779 61.759 62.501 1.00 2.11 +ATOM 986 NE2 HIS 64 59.369 60.692 63.198 1.00 2.11 +ATOM 988 CD2 HIS 64 59.386 59.603 62.361 1.00 2.11 +ATOM 990 C HIS 64 60.818 59.641 57.586 1.00 2.11 +ATOM 991 O HIS 64 61.081 58.558 57.053 1.00 2.11 +ATOM 992 N ASP 65 61.562 60.716 57.348 1.00 2.34 +ATOM 994 CA ASP 65 62.977 60.499 57.078 1.00 2.34 +ATOM 996 CB ASP 65 63.685 61.707 56.449 1.00 2.34 +ATOM 999 CG ASP 65 64.885 61.222 55.621 1.00 2.34 +ATOM 1000 OD1 ASP 65 65.335 60.066 55.825 1.00 2.34 +ATOM 1001 OD2 ASP 65 65.323 61.910 54.680 1.00 2.34 +ATOM 1002 C ASP 65 63.660 60.123 58.400 1.00 2.34 +ATOM 1003 O ASP 65 63.300 60.612 59.466 1.00 2.34 +ATOM 1004 N ARG 66 64.692 59.291 58.325 1.00 2.59 +ATOM 1006 CA ARG 66 65.527 58.859 59.434 1.00 2.59 +ATOM 1008 CB ARG 66 66.693 57.893 59.053 1.00 2.59 +ATOM 1011 CG ARG 66 67.353 58.002 57.657 1.00 2.59 +ATOM 1014 CD ARG 66 66.706 57.096 56.629 1.00 2.59 +ATOM 1017 NE ARG 66 65.252 57.314 56.467 1.00 2.59 +ATOM 1019 CZ ARG 66 64.308 56.677 57.142 1.00 2.59 +ATOM 1020 NH1 ARG 66 64.578 55.859 58.098 1.00 2.59 +ATOM 1023 NH2 ARG 66 63.042 56.820 56.937 1.00 2.59 +ATOM 1026 C ARG 66 66.256 60.084 59.950 1.00 2.59 +ATOM 1027 O ARG 66 66.189 60.461 61.116 1.00 2.59 +ATOM 1028 N LYS 67 67.020 60.658 59.015 1.00 2.84 +ATOM 1030 CA LYS 67 68.293 61.279 59.338 1.00 2.84 +ATOM 1032 CB LYS 67 69.203 61.410 58.097 1.00 2.84 +ATOM 1035 CG LYS 67 70.356 60.385 58.106 1.00 2.84 +ATOM 1038 CD LYS 67 71.663 60.836 58.796 1.00 2.84 +ATOM 1041 CE LYS 67 71.542 61.590 60.131 1.00 2.84 +ATOM 1044 NZ LYS 67 71.042 60.742 61.238 1.00 2.84 +ATOM 1048 C LYS 67 68.067 62.616 60.023 1.00 2.84 +ATOM 1049 O LYS 67 68.937 63.077 60.752 1.00 2.84 +ATOM 1050 N SER 68 66.863 63.144 59.841 1.00 3.03 +ATOM 1052 CA SER 68 66.375 64.377 60.418 1.00 3.03 +ATOM 1054 CB SER 68 66.316 65.467 59.335 1.00 3.03 +ATOM 1057 OG SER 68 67.547 65.571 58.642 1.00 3.03 +ATOM 1059 C SER 68 65.010 64.240 61.087 1.00 3.03 +ATOM 1060 O SER 68 64.393 65.263 61.359 1.00 3.03 +ATOM 1061 N GLY 69 64.520 63.007 61.309 1.00 2.81 +ATOM 1063 CA GLY 69 63.211 62.708 61.906 1.00 2.81 +ATOM 1066 C GLY 69 62.112 63.696 61.529 1.00 2.81 +ATOM 1067 O GLY 69 61.530 64.364 62.386 1.00 2.81 +ATOM 1068 N LYS 70 61.851 63.803 60.227 1.00 2.62 +ATOM 1070 CA LYS 70 60.884 64.732 59.649 1.00 2.62 +ATOM 1072 CB LYS 70 61.635 65.772 58.791 1.00 2.62 +ATOM 1075 CG LYS 70 60.750 66.938 58.313 1.00 2.62 +ATOM 1078 CD LYS 70 60.106 66.742 56.929 1.00 2.62 +ATOM 1081 CE LYS 70 59.201 67.946 56.635 1.00 2.62 +ATOM 1084 NZ LYS 70 58.665 67.928 55.257 1.00 2.62 +ATOM 1088 C LYS 70 59.859 63.954 58.865 1.00 2.62 +ATOM 1089 O LYS 70 60.174 63.306 57.872 1.00 2.62 +ATOM 1090 N LYS 71 58.633 64.050 59.359 1.00 2.43 +ATOM 1092 CA LYS 71 57.447 63.489 58.738 1.00 2.43 +ATOM 1094 CB LYS 71 56.312 63.455 59.773 1.00 2.43 +ATOM 1097 CG LYS 71 56.687 62.646 61.035 1.00 2.43 +ATOM 1100 CD LYS 71 55.523 62.383 62.009 1.00 2.43 +ATOM 1103 CE LYS 71 55.031 63.652 62.720 1.00 2.43 +ATOM 1106 NZ LYS 71 53.838 63.375 63.551 1.00 2.43 +ATOM 1110 C LYS 71 57.173 64.182 57.419 1.00 2.43 +ATOM 1111 O LYS 71 56.912 65.386 57.402 1.00 2.43 +ATOM 1112 N PHE 72 57.326 63.442 56.327 1.00 2.10 +ATOM 1114 CA PHE 72 57.052 63.910 54.984 1.00 2.10 +ATOM 1116 CB PHE 72 58.312 64.311 54.200 1.00 2.10 +ATOM 1119 CG PHE 72 59.575 63.486 54.055 1.00 2.10 +ATOM 1120 CD1 PHE 72 59.572 62.083 54.044 1.00 2.10 +ATOM 1122 CE1 PHE 72 60.752 61.382 53.721 1.00 2.10 +ATOM 1124 CZ PHE 72 61.933 62.077 53.417 1.00 2.10 +ATOM 1126 CE2 PHE 72 61.943 63.477 53.444 1.00 2.10 +ATOM 1128 CD2 PHE 72 60.765 64.177 53.746 1.00 2.10 +ATOM 1130 C PHE 72 56.020 63.053 54.267 1.00 2.10 +ATOM 1131 O PHE 72 55.936 61.830 54.409 1.00 2.10 +ATOM 1132 N SER 73 55.141 63.789 53.583 1.00 2.18 +ATOM 1134 CA SER 73 54.051 63.262 52.770 1.00 2.18 +ATOM 1136 CB SER 73 53.310 64.443 52.130 1.00 2.18 +ATOM 1139 OG SER 73 52.186 64.025 51.385 1.00 2.18 +ATOM 1141 C SER 73 54.611 62.322 51.726 1.00 2.18 +ATOM 1142 O SER 73 55.759 62.456 51.328 1.00 2.18 +ATOM 1143 N ILE 74 53.790 61.398 51.261 1.00 1.88 +ATOM 1145 CA ILE 74 54.126 60.442 50.219 1.00 1.88 +ATOM 1147 CB ILE 74 52.781 59.824 49.777 1.00 1.88 +ATOM 1149 CG2 ILE 74 51.675 60.819 49.352 1.00 1.88 +ATOM 1153 CG1 ILE 74 52.939 58.765 48.688 1.00 1.88 +ATOM 1156 CD1 ILE 74 54.149 57.864 48.867 1.00 1.88 +ATOM 1160 C ILE 74 54.928 61.012 49.039 1.00 1.88 +ATOM 1161 O ILE 74 56.010 60.514 48.716 1.00 1.88 +ATOM 1162 N GLU 75 54.425 62.081 48.427 1.00 2.16 +ATOM 1164 CA GLU 75 55.110 62.743 47.316 1.00 2.16 +ATOM 1166 CB GLU 75 54.183 63.835 46.745 1.00 2.16 +ATOM 1169 CG GLU 75 54.836 64.869 45.807 1.00 2.16 +ATOM 1172 CD GLU 75 55.504 64.290 44.551 1.00 2.16 +ATOM 1173 OE1 GLU 75 55.574 63.049 44.419 1.00 2.16 +ATOM 1174 OE2 GLU 75 55.948 65.120 43.724 1.00 2.16 +ATOM 1175 C GLU 75 56.465 63.317 47.745 1.00 2.16 +ATOM 1176 O GLU 75 57.471 63.136 47.068 1.00 2.16 +ATOM 1177 N GLU 76 56.531 63.969 48.905 1.00 2.12 +ATOM 1179 CA GLU 76 57.788 64.541 49.385 1.00 2.12 +ATOM 1181 CB GLU 76 57.500 65.486 50.557 1.00 2.12 +ATOM 1184 CG GLU 76 58.767 66.231 51.014 1.00 2.12 +ATOM 1187 CD GLU 76 58.613 66.981 52.337 1.00 2.12 +ATOM 1188 OE1 GLU 76 59.632 67.505 52.842 1.00 2.12 +ATOM 1189 OE2 GLU 76 57.527 66.969 52.971 1.00 2.12 +ATOM 1190 C GLU 76 58.850 63.474 49.718 1.00 2.12 +ATOM 1191 O GLU 76 60.040 63.663 49.455 1.00 2.12 +ATOM 1192 N ALA 77 58.429 62.323 50.236 1.00 1.77 +ATOM 1194 CA ALA 77 59.269 61.158 50.439 1.00 1.77 +ATOM 1196 CB ALA 77 58.471 60.090 51.186 1.00 1.77 +ATOM 1200 C ALA 77 59.847 60.655 49.121 1.00 1.77 +ATOM 1201 O ALA 77 61.067 60.485 49.016 1.00 1.77 +ATOM 1202 N LEU 78 58.990 60.470 48.111 1.00 1.89 +ATOM 1204 CA LEU 78 59.414 60.015 46.789 1.00 1.89 +ATOM 1206 CB LEU 78 58.162 59.753 45.934 1.00 1.89 +ATOM 1209 CG LEU 78 58.359 59.048 44.577 1.00 1.89 +ATOM 1211 CD1 LEU 78 58.929 59.949 43.481 1.00 1.89 +ATOM 1215 CD2 LEU 78 59.224 57.787 44.681 1.00 1.89 +ATOM 1219 C LEU 78 60.413 60.985 46.152 1.00 1.89 +ATOM 1220 O LEU 78 61.492 60.536 45.775 1.00 1.89 +ATOM 1221 N GLN 79 60.139 62.291 46.144 1.00 2.21 +ATOM 1223 CA GLN 79 61.103 63.320 45.737 1.00 2.21 +ATOM 1225 CB GLN 79 60.516 64.730 45.937 1.00 2.21 +ATOM 1228 CG GLN 79 59.399 65.099 44.948 1.00 2.21 +ATOM 1231 CD GLN 79 58.972 66.566 45.056 1.00 2.21 +ATOM 1232 OE1 GLN 79 59.635 67.417 45.628 1.00 2.21 +ATOM 1233 NE2 GLN 79 57.857 66.944 44.481 1.00 2.21 +ATOM 1236 C GLN 79 62.442 63.228 46.477 1.00 2.21 +ATOM 1237 O GLN 79 63.506 63.321 45.866 1.00 2.21 +ATOM 1238 N SER 80 62.398 62.985 47.791 1.00 2.15 +ATOM 1240 CA SER 80 63.593 62.906 48.636 1.00 2.15 +ATOM 1242 CB SER 80 63.184 63.057 50.105 1.00 2.15 +ATOM 1245 OG SER 80 62.566 64.308 50.327 1.00 2.15 +ATOM 1247 C SER 80 64.352 61.597 48.449 1.00 2.15 +ATOM 1248 O SER 80 65.440 61.439 49.010 1.00 2.15 +ATOM 1249 N GLY 81 63.780 60.638 47.710 1.00 1.98 +ATOM 1251 CA GLY 81 64.298 59.291 47.501 1.00 1.98 +ATOM 1254 C GLY 81 64.282 58.415 48.748 1.00 1.98 +ATOM 1255 O GLY 81 65.149 57.552 48.902 1.00 1.98 +ATOM 1256 N ARG 82 63.327 58.659 49.657 1.00 1.73 +ATOM 1258 CA ARG 82 63.062 57.826 50.843 1.00 1.73 +ATOM 1260 CB ARG 82 62.939 58.709 52.096 1.00 1.73 +ATOM 1263 CG ARG 82 63.747 58.151 53.283 1.00 1.73 +ATOM 1266 CD ARG 82 65.278 58.218 53.094 1.00 1.73 +ATOM 1269 NE ARG 82 65.744 59.602 53.040 1.00 1.73 +ATOM 1271 CZ ARG 82 66.099 60.271 51.975 1.00 1.73 +ATOM 1272 NH1 ARG 82 66.394 59.680 50.856 1.00 1.73 +ATOM 1275 NH2 ARG 82 66.110 61.565 52.041 1.00 1.73 +ATOM 1278 C ARG 82 61.897 56.843 50.659 1.00 1.73 +ATOM 1279 O ARG 82 61.410 56.247 51.623 1.00 1.73 +ATOM 1280 N LEU 83 61.494 56.696 49.399 1.00 1.53 +ATOM 1282 CA LEU 83 60.592 55.716 48.803 1.00 1.53 +ATOM 1284 CB LEU 83 59.158 56.282 48.800 1.00 1.53 +ATOM 1287 CG LEU 83 58.405 56.163 50.127 1.00 1.53 +ATOM 1289 CD1 LEU 83 57.009 56.733 49.921 1.00 1.53 +ATOM 1293 CD2 LEU 83 58.254 54.709 50.566 1.00 1.53 +ATOM 1297 C LEU 83 61.031 55.454 47.344 1.00 1.53 +ATOM 1298 O LEU 83 61.958 56.101 46.852 1.00 1.53 +ATOM 1299 N THR 84 60.327 54.546 46.662 1.00 1.69 +ATOM 1301 CA THR 84 60.528 54.156 45.261 1.00 1.69 +ATOM 1303 CB THR 84 61.270 52.797 45.178 1.00 1.69 +ATOM 1305 CG2 THR 84 60.823 51.782 44.119 1.00 1.69 +ATOM 1309 OG1 THR 84 62.623 53.032 44.885 1.00 1.69 +ATOM 1311 C THR 84 59.181 54.048 44.554 1.00 1.69 +ATOM 1312 O THR 84 58.256 53.555 45.186 1.00 1.69 +ATOM 1313 N PRO 85 59.018 54.435 43.273 1.00 1.94 +ATOM 1314 CD PRO 85 60.068 54.920 42.379 1.00 1.94 +ATOM 1317 CG PRO 85 59.358 55.502 41.156 1.00 1.94 +ATOM 1320 CB PRO 85 58.012 54.779 41.146 1.00 1.94 +ATOM 1323 CA PRO 85 57.707 54.629 42.637 1.00 1.94 +ATOM 1325 C PRO 85 56.588 53.597 42.896 1.00 1.94 +ATOM 1326 O PRO 85 55.475 53.989 43.231 1.00 1.94 +ATOM 1327 N ALA 86 56.844 52.287 42.815 1.00 1.98 +ATOM 1329 CA ALA 86 55.813 51.288 43.145 1.00 1.98 +ATOM 1331 CB ALA 86 56.302 49.914 42.671 1.00 1.98 +ATOM 1335 C ALA 86 55.415 51.287 44.633 1.00 1.98 +ATOM 1336 O ALA 86 54.239 51.192 45.006 1.00 1.98 +ATOM 1337 N HIS 87 56.421 51.456 45.488 1.00 1.67 +ATOM 1339 CA HIS 87 56.238 51.607 46.923 1.00 1.67 +ATOM 1341 CB HIS 87 57.610 51.611 47.596 1.00 1.67 +ATOM 1344 CG HIS 87 57.565 50.866 48.885 1.00 1.67 +ATOM 1345 ND1 HIS 87 57.460 51.436 50.148 1.00 1.67 +ATOM 1346 CE1 HIS 87 57.593 50.411 50.997 1.00 1.67 +ATOM 1348 NE2 HIS 87 57.733 49.253 50.338 1.00 1.67 +ATOM 1350 CD2 HIS 87 57.695 49.516 48.999 1.00 1.67 +ATOM 1352 C HIS 87 55.444 52.867 47.272 1.00 1.67 +ATOM 1353 O HIS 87 54.585 52.831 48.146 1.00 1.67 +ATOM 1354 N TYR 88 55.692 53.953 46.535 1.00 1.66 +ATOM 1356 CA TYR 88 54.959 55.210 46.608 1.00 1.66 +ATOM 1358 CB TYR 88 55.703 56.300 45.796 1.00 1.66 +ATOM 1361 CG TYR 88 54.882 57.362 45.057 1.00 1.66 +ATOM 1362 CD1 TYR 88 54.845 58.699 45.507 1.00 1.66 +ATOM 1364 CE1 TYR 88 54.202 59.694 44.748 1.00 1.66 +ATOM 1366 CZ TYR 88 53.562 59.361 43.540 1.00 1.66 +ATOM 1367 OH TYR 88 52.962 60.326 42.797 1.00 1.66 +ATOM 1369 CE2 TYR 88 53.572 58.025 43.090 1.00 1.66 +ATOM 1371 CD2 TYR 88 54.242 57.040 43.840 1.00 1.66 +ATOM 1373 C TYR 88 53.491 55.059 46.177 1.00 1.66 +ATOM 1374 O TYR 88 52.617 55.626 46.824 1.00 1.66 +ATOM 1375 N ASP 89 53.168 54.261 45.153 1.00 1.92 +ATOM 1377 CA ASP 89 51.758 53.961 44.860 1.00 1.92 +ATOM 1379 CB ASP 89 51.618 53.133 43.562 1.00 1.92 +ATOM 1382 CG ASP 89 50.351 52.254 43.540 1.00 1.92 +ATOM 1383 OD1 ASP 89 50.484 51.017 43.686 1.00 1.92 +ATOM 1384 OD2 ASP 89 49.216 52.774 43.496 1.00 1.92 +ATOM 1385 C ASP 89 51.090 53.231 46.036 1.00 1.92 +ATOM 1386 O ASP 89 50.047 53.665 46.553 1.00 1.92 +ATOM 1387 N ARG 90 51.693 52.123 46.495 1.00 1.96 +ATOM 1389 CA ARG 90 51.021 51.339 47.543 1.00 1.96 +ATOM 1391 CB ARG 90 51.716 49.983 47.745 1.00 1.96 +ATOM 1394 CG ARG 90 50.692 48.838 47.861 1.00 1.96 +ATOM 1397 CD ARG 90 50.239 48.246 46.509 1.00 1.96 +ATOM 1400 NE ARG 90 49.584 49.209 45.599 1.00 1.96 +ATOM 1402 CZ ARG 90 48.309 49.538 45.495 1.00 1.96 +ATOM 1403 NH1 ARG 90 47.384 49.104 46.306 1.00 1.96 +ATOM 1406 NH2 ARG 90 47.935 50.365 44.576 1.00 1.96 +ATOM 1409 C ARG 90 50.824 52.126 48.852 1.00 1.96 +ATOM 1410 O ARG 90 49.788 52.045 49.523 1.00 1.96 +ATOM 1411 N TYR 91 51.799 52.973 49.141 1.00 1.79 +ATOM 1413 CA TYR 91 51.744 53.966 50.194 1.00 1.79 +ATOM 1415 CB TYR 91 53.125 54.595 50.274 1.00 1.79 +ATOM 1418 CG TYR 91 53.313 55.472 51.476 1.00 1.79 +ATOM 1419 CD1 TYR 91 54.081 54.977 52.531 1.00 1.79 +ATOM 1421 CE1 TYR 91 54.250 55.749 53.682 1.00 1.79 +ATOM 1423 CZ TYR 91 53.687 57.026 53.759 1.00 1.79 +ATOM 1424 OH TYR 91 53.823 57.721 54.905 1.00 1.79 +ATOM 1426 CE2 TYR 91 52.941 57.548 52.687 1.00 1.79 +ATOM 1428 CD2 TYR 91 52.713 56.742 51.565 1.00 1.79 +ATOM 1430 C TYR 91 50.685 55.040 49.968 1.00 1.79 +ATOM 1431 O TYR 91 50.044 55.322 50.955 1.00 1.79 +ATOM 1432 N VAL 92 50.408 55.630 48.785 1.00 1.94 +ATOM 1434 CA VAL 92 49.229 56.536 48.681 1.00 1.94 +ATOM 1436 CB VAL 92 48.984 57.293 47.341 1.00 1.94 +ATOM 1438 CG1 VAL 92 50.074 58.292 46.974 1.00 1.94 +ATOM 1442 CG2 VAL 92 48.718 56.469 46.079 1.00 1.94 +ATOM 1446 C VAL 92 47.934 55.799 49.011 1.00 1.94 +ATOM 1447 O VAL 92 47.077 56.313 49.741 1.00 1.94 +ATOM 1448 N ASN 93 47.843 54.551 48.531 1.00 2.24 +ATOM 1450 CA ASN 93 46.717 53.660 48.819 1.00 2.24 +ATOM 1452 CB ASN 93 46.847 52.362 47.987 1.00 2.24 +ATOM 1455 CG ASN 93 46.637 52.466 46.485 1.00 2.24 +ATOM 1456 OD1 ASN 93 45.842 51.727 45.925 1.00 2.24 +ATOM 1457 ND2 ASN 93 47.407 53.240 45.760 1.00 2.24 +ATOM 1460 C ASN 93 46.599 53.316 50.323 1.00 2.24 +ATOM 1461 O ASN 93 45.547 52.825 50.738 1.00 2.24 +ATOM 1462 N LYS 94 47.624 53.606 51.143 1.00 2.21 +ATOM 1464 CA LYS 94 47.501 53.658 52.615 1.00 2.21 +ATOM 1466 CB LYS 94 48.573 52.768 53.265 1.00 2.21 +ATOM 1469 CG LYS 94 48.168 51.279 53.216 1.00 2.21 +ATOM 1472 CD LYS 94 47.397 50.807 54.463 1.00 2.21 +ATOM 1475 CE LYS 94 46.125 51.615 54.771 1.00 2.21 +ATOM 1478 NZ LYS 94 45.675 51.431 56.169 1.00 2.21 +ATOM 1482 C LYS 94 47.395 55.045 53.245 1.00 2.21 +ATOM 1483 O LYS 94 46.653 55.182 54.202 1.00 2.21 +ATOM 1484 N ASP 95 47.955 56.092 52.655 1.00 2.19 +ATOM 1486 CA ASP 95 47.884 57.480 53.119 1.00 2.19 +ATOM 1488 CB ASP 95 48.830 58.361 52.278 1.00 2.19 +ATOM 1491 CG ASP 95 49.459 59.555 53.019 1.00 2.19 +ATOM 1492 OD1 ASP 95 48.987 59.962 54.106 1.00 2.19 +ATOM 1493 OD2 ASP 95 50.476 60.052 52.480 1.00 2.19 +ATOM 1494 C ASP 95 46.454 57.989 53.108 1.00 2.19 +ATOM 1495 O ASP 95 46.022 58.623 54.065 1.00 2.19 +ATOM 1496 N MET 96 45.672 57.584 52.098 1.00 2.35 +ATOM 1498 CA MET 96 44.226 57.793 52.076 1.00 2.35 +ATOM 1500 CB MET 96 43.617 57.062 50.870 1.00 2.35 +ATOM 1503 CG MET 96 42.125 57.380 50.703 1.00 2.35 +ATOM 1506 SD MET 96 41.349 56.681 49.217 1.00 2.35 +ATOM 1507 CE MET 96 42.059 57.747 47.934 1.00 2.35 +ATOM 1511 C MET 96 43.556 57.391 53.399 1.00 2.35 +ATOM 1512 O MET 96 42.739 58.129 53.926 1.00 2.35 +ATOM 1513 N SER 97 43.962 56.283 54.012 1.00 2.76 +ATOM 1515 CA SER 97 43.401 55.772 55.262 1.00 2.76 +ATOM 1517 CB SER 97 44.144 54.498 55.680 1.00 2.76 +ATOM 1520 OG SER 97 43.392 53.734 56.606 1.00 2.76 +ATOM 1522 C SER 97 43.421 56.744 56.430 1.00 2.76 +ATOM 1523 O SER 97 42.523 56.645 57.265 1.00 2.76 +ATOM 1524 N ILE 98 44.419 57.638 56.497 1.00 2.85 +ATOM 1526 CA ILE 98 44.621 58.548 57.634 1.00 2.85 +ATOM 1528 CB ILE 98 45.733 58.036 58.586 1.00 2.85 +ATOM 1530 CG2 ILE 98 45.904 58.893 59.852 1.00 2.85 +ATOM 1534 CG1 ILE 98 45.449 56.587 59.069 1.00 2.85 +ATOM 1537 CD1 ILE 98 44.255 56.354 60.011 1.00 2.85 +ATOM 1541 C ILE 98 44.611 60.039 57.217 1.00 2.85 +ATOM 1542 O ILE 98 44.499 60.914 58.071 1.00 2.85 +ATOM 1543 N GLN 99 44.546 60.356 55.918 1.00 2.88 +ATOM 1545 CA GLN 99 44.206 61.700 55.416 1.00 2.88 +ATOM 1547 CB GLN 99 44.992 62.027 54.123 1.00 2.88 +ATOM 1550 CG GLN 99 46.006 63.174 54.275 1.00 2.88 +ATOM 1553 CD GLN 99 45.391 64.532 54.613 1.00 2.88 +ATOM 1554 OE1 GLN 99 44.842 65.230 53.774 1.00 2.88 +ATOM 1555 NE2 GLN 99 45.472 64.967 55.852 1.00 2.88 +ATOM 1558 C GLN 99 42.718 61.917 55.168 1.00 2.88 +ATOM 1559 O GLN 99 42.234 63.040 55.337 1.00 2.88 +ATOM 1560 N GLU 100 42.015 60.872 54.730 1.00 3.14 +ATOM 1562 CA GLU 100 40.577 60.840 54.501 1.00 3.14 +ATOM 1564 CB GLU 100 40.136 61.931 53.506 1.00 3.14 +ATOM 1567 CG GLU 100 40.904 62.086 52.179 1.00 3.14 +ATOM 1570 CD GLU 100 40.295 63.240 51.384 1.00 3.14 +ATOM 1571 OE1 GLU 100 40.990 64.276 51.270 1.00 3.14 +ATOM 1572 OE2 GLU 100 39.091 63.144 51.029 1.00 3.14 +ATOM 1573 C GLU 100 40.059 59.512 53.922 1.00 3.14 +ATOM 1574 O GLU 100 40.416 59.126 52.813 1.00 3.14 +ATOM 1575 N LEU 101 39.073 58.882 54.572 1.00 3.21 +ATOM 1577 CA LEU 101 38.390 57.719 53.976 1.00 3.21 +ATOM 1579 CB LEU 101 37.571 57.013 55.077 1.00 3.21 +ATOM 1582 CG LEU 101 37.067 55.592 54.737 1.00 3.21 +ATOM 1584 CD1 LEU 101 38.181 54.652 54.264 1.00 3.21 +ATOM 1588 CD2 LEU 101 36.435 54.968 55.984 1.00 3.21 +ATOM 1592 C LEU 101 37.566 58.042 52.703 1.00 3.21 +ATOM 1593 O LEU 101 37.081 57.127 52.044 1.00 3.21 +ATOM 1594 N ALA 102 37.438 59.340 52.386 1.00 4.38 +ATOM 1596 CA ALA 102 37.205 59.993 51.088 1.00 4.38 +ATOM 1598 CB ALA 102 37.023 59.020 49.910 1.00 4.38 +ATOM 1602 C ALA 102 36.074 61.022 51.142 1.00 4.38 +ATOM 1603 O ALA 102 34.976 60.752 51.630 1.00 4.38 +ATOM 1604 N VAL 103 36.288 62.162 50.480 1.00 4.57 +ATOM 1606 CA VAL 103 35.209 63.005 49.924 1.00 4.57 +ATOM 1608 CB VAL 103 35.811 64.054 48.958 1.00 4.57 +ATOM 1610 CG1 VAL 103 36.696 63.448 47.856 1.00 4.57 +ATOM 1614 CG2 VAL 103 34.749 64.926 48.280 1.00 4.57 +ATOM 1618 C VAL 103 34.084 62.183 49.270 1.00 4.57 +ATOM 1619 O VAL 103 32.917 62.517 49.423 1.00 4.57 +ATOM 1620 N LEU 104 34.393 61.049 48.637 1.00 5.27 +ATOM 1622 CA LEU 104 33.401 60.164 48.023 1.00 5.27 +ATOM 1624 CB LEU 104 34.164 59.070 47.243 1.00 5.27 +ATOM 1627 CG LEU 104 33.296 58.095 46.418 1.00 5.27 +ATOM 1629 CD1 LEU 104 32.457 58.808 45.355 1.00 5.27 +ATOM 1633 CD2 LEU 104 34.199 57.089 45.705 1.00 5.27 +ATOM 1637 C LEU 104 32.362 59.542 48.981 1.00 5.27 +ATOM 1638 O LEU 104 31.274 59.200 48.528 1.00 5.27 +ATOM 1639 N VAL 105 32.661 59.392 50.278 1.00 6.43 +ATOM 1641 CA VAL 105 31.831 58.578 51.196 1.00 6.43 +ATOM 1643 CB VAL 105 32.654 57.377 51.721 1.00 6.43 +ATOM 1645 CG1 VAL 105 33.613 57.729 52.864 1.00 6.43 +ATOM 1649 CG2 VAL 105 31.776 56.200 52.160 1.00 6.43 +ATOM 1653 C VAL 105 31.136 59.379 52.297 1.00 6.43 +ATOM 1654 O VAL 105 30.343 58.844 53.067 1.00 6.43 +ATOM 1655 N SER 106 31.385 60.686 52.369 1.00 5.83 +ATOM 1657 CA SER 106 30.604 61.614 53.209 1.00 5.83 +ATOM 1659 CB SER 106 31.157 61.621 54.644 1.00 5.83 +ATOM 1662 OG SER 106 31.025 60.345 55.237 1.00 5.83 +ATOM 1664 C SER 106 30.562 63.045 52.669 1.00 5.83 +ATOM 1665 O SER 106 29.989 63.921 53.313 1.00 5.83 +ATOM 1666 N GLY 107 31.218 63.329 51.538 1.00 4.88 +ATOM 1668 CA GLY 107 31.522 64.678 51.049 1.00 4.88 +ATOM 1671 C GLY 107 32.542 65.434 51.908 1.00 4.88 +ATOM 1672 O GLY 107 33.482 66.034 51.395 1.00 4.88 +ATOM 1673 N GLN 108 32.404 65.339 53.229 1.00 4.41 +ATOM 1675 CA GLN 108 33.302 65.862 54.251 1.00 4.41 +ATOM 1677 CB GLN 108 32.557 65.837 55.603 1.00 4.41 +ATOM 1680 CG GLN 108 33.239 66.689 56.687 1.00 4.41 +ATOM 1683 CD GLN 108 32.517 66.572 58.024 1.00 4.41 +ATOM 1684 OE1 GLN 108 31.563 67.274 58.306 1.00 4.41 +ATOM 1685 NE2 GLN 108 32.935 65.679 58.895 1.00 4.41 +ATOM 1688 C GLN 108 34.660 65.145 54.290 1.00 4.41 +ATOM 1689 O GLN 108 34.974 64.451 55.252 1.00 4.41 +ATOM 1690 N LYS 109 35.460 65.331 53.231 1.00 5.43 +ATOM 1692 CA LYS 109 36.863 64.912 53.104 1.00 5.43 +ATOM 1694 CB LYS 109 37.729 65.979 53.811 1.00 5.43 +ATOM 1697 CG LYS 109 39.203 65.885 53.408 1.00 5.43 +ATOM 1700 CD LYS 109 40.137 66.556 54.425 1.00 5.43 +ATOM 1703 CE LYS 109 41.597 66.587 53.949 1.00 5.43 +ATOM 1706 NZ LYS 109 42.096 65.252 53.552 1.00 5.43 +ATOM 1710 C LYS 109 37.117 63.482 53.618 1.00 5.43 +ATOM 1711 O LYS 109 36.235 62.763 54.087 1.00 5.43 +TER +END +PFRMAT TS +TARGET T0759 +MODEL 2 +PARENT 1lm7_A 1lm5_A 1lm5_B +ATOM 1 N MET 1 65.715 46.298 47.267 1.00 12.53 +ATOM 2 CA MET 1 66.484 47.320 46.565 1.00 12.53 +ATOM 4 CB MET 1 67.948 46.783 46.486 1.00 12.53 +ATOM 7 CG MET 1 69.027 47.884 46.229 1.00 12.53 +ATOM 10 SD MET 1 69.040 49.305 47.345 1.00 12.53 +ATOM 11 CE MET 1 69.050 48.501 48.974 1.00 12.53 +ATOM 15 C MET 1 65.938 47.664 45.179 1.00 12.53 +ATOM 16 O MET 1 66.534 48.434 44.426 1.00 12.53 +ATOM 17 N GLY 2 64.778 47.103 44.848 1.00 11.82 +ATOM 19 CA GLY 2 64.104 47.323 43.571 1.00 11.82 +ATOM 22 C GLY 2 62.640 47.557 43.732 1.00 11.82 +ATOM 23 O GLY 2 62.337 48.564 44.317 1.00 11.82 +ATOM 24 N HIS 3 61.776 46.640 43.280 1.00 10.43 +ATOM 26 CA HIS 3 60.382 46.544 43.749 1.00 10.43 +ATOM 28 CB HIS 3 59.532 45.775 42.715 1.00 10.43 +ATOM 31 CG HIS 3 59.316 46.515 41.416 1.00 10.43 +ATOM 32 ND1 HIS 3 58.118 47.127 41.009 1.00 10.43 +ATOM 33 CE1 HIS 3 58.346 47.580 39.766 1.00 10.43 +ATOM 35 NE2 HIS 3 59.607 47.313 39.387 1.00 10.43 +ATOM 37 CD2 HIS 3 60.228 46.635 40.410 1.00 10.43 +ATOM 39 C HIS 3 60.274 45.924 45.146 1.00 10.43 +ATOM 40 O HIS 3 59.181 45.561 45.561 1.00 10.43 +ATOM 41 N HIS 4 61.395 45.901 45.870 1.00 9.37 +ATOM 42 CA HIS 4 61.489 45.677 47.300 1.00 9.37 +ATOM 43 CB HIS 4 62.127 44.304 47.592 1.00 9.37 +ATOM 44 CG HIS 4 61.308 43.078 47.253 1.00 9.37 +ATOM 45 ND1 HIS 4 60.829 42.127 48.170 1.00 9.37 +ATOM 46 CE1 HIS 4 60.128 41.257 47.426 1.00 9.37 +ATOM 47 NE2 HIS 4 60.200 41.564 46.121 1.00 9.37 +ATOM 48 CD2 HIS 4 60.945 42.714 45.987 1.00 9.37 +ATOM 49 C HIS 4 62.249 46.818 48.008 1.00 9.37 +ATOM 50 O HIS 4 62.466 46.686 49.212 1.00 9.37 +ATOM 51 N HIS 5 62.606 47.921 47.316 1.00 9.29 +ATOM 53 CA HIS 5 63.532 48.981 47.826 1.00 9.29 +ATOM 55 CB HIS 5 63.555 50.224 46.892 1.00 9.29 +ATOM 58 CG HIS 5 64.670 51.216 47.116 1.00 9.29 +ATOM 59 ND1 HIS 5 64.505 52.525 47.596 1.00 9.29 +ATOM 60 CE1 HIS 5 65.698 53.120 47.448 1.00 9.29 +ATOM 62 NE2 HIS 5 66.582 52.276 46.894 1.00 9.29 +ATOM 64 CD2 HIS 5 65.946 51.083 46.659 1.00 9.29 +ATOM 66 C HIS 5 63.357 49.413 49.336 1.00 9.29 +ATOM 67 O HIS 5 64.404 49.840 49.868 1.00 9.29 +ATOM 68 N HIS 6 62.297 49.385 50.238 1.00 9.46 +ATOM 70 CA HIS 6 60.821 49.172 50.206 1.00 9.46 +ATOM 72 CB HIS 6 60.166 49.840 51.411 1.00 9.46 +ATOM 75 CG HIS 6 60.735 49.324 52.716 1.00 9.46 +ATOM 76 ND1 HIS 6 61.756 49.923 53.433 1.00 9.46 +ATOM 77 CE1 HIS 6 62.000 49.112 54.473 1.00 9.46 +ATOM 79 NE2 HIS 6 61.182 48.045 54.435 1.00 9.46 +ATOM 81 CD2 HIS 6 60.376 48.150 53.325 1.00 9.46 +ATOM 83 C HIS 6 60.344 49.688 48.837 1.00 9.46 +ATOM 84 O HIS 6 60.734 50.808 48.540 1.00 9.46 +ATOM 85 N HIS 7 59.586 48.978 47.992 1.00 8.87 +ATOM 87 CA HIS 7 59.146 49.562 46.703 1.00 8.87 +ATOM 89 CB HIS 7 60.184 49.487 45.639 1.00 8.87 +ATOM 92 CG HIS 7 59.879 50.073 44.272 1.00 8.87 +ATOM 93 ND1 HIS 7 58.962 49.587 43.331 1.00 8.87 +ATOM 94 CE1 HIS 7 59.233 50.220 42.179 1.00 8.87 +ATOM 96 NE2 HIS 7 60.250 51.074 42.343 1.00 8.87 +ATOM 98 CD2 HIS 7 60.675 50.986 43.643 1.00 8.87 +ATOM 100 C HIS 7 57.807 49.111 46.148 1.00 8.87 +ATOM 101 O HIS 7 57.013 49.927 45.667 1.00 8.87 +ATOM 102 N HIS 8 57.480 47.842 46.271 1.00 9.25 +ATOM 104 CA HIS 8 56.101 47.418 46.445 1.00 9.25 +ATOM 106 CB HIS 8 56.077 45.938 46.887 1.00 9.25 +ATOM 109 CG HIS 8 57.157 45.474 47.854 1.00 9.25 +ATOM 110 ND1 HIS 8 58.007 46.272 48.644 1.00 9.25 +ATOM 111 CE1 HIS 8 58.913 45.424 49.164 1.00 9.25 +ATOM 113 NE2 HIS 8 58.696 44.174 48.727 1.00 9.25 +ATOM 115 CD2 HIS 8 57.592 44.185 47.914 1.00 9.25 +ATOM 117 C HIS 8 55.362 48.287 47.446 1.00 9.25 +ATOM 118 O HIS 8 54.319 48.857 47.140 1.00 9.25 +ATOM 119 N SER 9 56.027 48.476 48.573 1.00 10.41 +ATOM 121 CA SER 9 55.567 49.219 49.721 1.00 10.41 +ATOM 123 CB SER 9 55.484 48.246 50.909 1.00 10.41 +ATOM 126 OG SER 9 54.596 47.193 50.595 1.00 10.41 +ATOM 128 C SER 9 56.456 50.396 50.016 1.00 10.41 +ATOM 129 O SER 9 56.833 50.623 51.161 1.00 10.41 +ATOM 130 N HIS 10 56.865 51.088 48.950 1.00 9.95 +ATOM 132 CA HIS 10 57.899 52.104 49.002 1.00 9.95 +ATOM 134 CB HIS 10 58.046 52.809 47.650 1.00 9.95 +ATOM 137 CG HIS 10 59.478 53.183 47.274 1.00 9.95 +ATOM 138 ND1 HIS 10 60.017 53.035 46.001 1.00 9.95 +ATOM 139 CE1 HIS 10 61.327 53.308 46.117 1.00 9.95 +ATOM 141 NE2 HIS 10 61.629 53.625 47.382 1.00 9.95 +ATOM 143 CD2 HIS 10 60.472 53.586 48.128 1.00 9.95 +ATOM 145 C HIS 10 57.640 53.083 50.106 1.00 9.95 +ATOM 146 O HIS 10 56.699 53.866 50.054 1.00 9.95 +ATOM 147 N MET 11 58.520 53.002 51.075 1.00 10.30 +ATOM 149 CA MET 11 58.457 53.853 52.226 1.00 10.30 +ATOM 151 CB MET 11 59.096 53.164 53.448 1.00 10.30 +ATOM 154 CG MET 11 58.299 51.921 53.859 1.00 10.30 +ATOM 157 SD MET 11 58.765 51.212 55.460 1.00 10.30 +ATOM 158 CE MET 11 57.759 49.705 55.410 1.00 10.30 +ATOM 162 C MET 11 59.047 55.243 51.930 1.00 10.30 +ATOM 163 O MET 11 59.762 55.824 52.736 1.00 10.30 +ATOM 164 N VAL 12 58.736 55.734 50.725 1.00 9.51 +ATOM 166 CA VAL 12 58.868 57.107 50.255 1.00 9.51 +ATOM 168 CB VAL 12 57.572 57.910 50.573 1.00 9.51 +ATOM 170 CG1 VAL 12 57.425 59.145 49.670 1.00 9.51 +ATOM 174 CG2 VAL 12 56.265 57.113 50.407 1.00 9.51 +ATOM 178 C VAL 12 60.136 57.829 50.706 1.00 9.51 +ATOM 179 O VAL 12 60.068 58.809 51.436 1.00 9.51 +ATOM 180 N VAL 13 61.295 57.293 50.303 1.00 7.33 +ATOM 182 CA VAL 13 62.593 57.552 50.949 1.00 7.33 +ATOM 184 CB VAL 13 63.802 56.933 50.214 1.00 7.33 +ATOM 186 CG1 VAL 13 64.985 56.769 51.178 1.00 7.33 +ATOM 190 CG2 VAL 13 63.487 55.550 49.631 1.00 7.33 +ATOM 194 C VAL 13 62.867 59.017 51.322 1.00 7.33 +ATOM 195 O VAL 13 63.252 59.841 50.493 1.00 7.33 +ATOM 196 N ILE 14 62.673 59.298 52.613 1.00 6.03 +ATOM 198 CA ILE 14 62.496 60.608 53.255 1.00 6.03 +ATOM 200 CB ILE 14 61.823 60.423 54.645 1.00 6.03 +ATOM 202 CG2 ILE 14 60.453 59.731 54.508 1.00 6.03 +ATOM 206 CG1 ILE 14 62.679 59.736 55.742 1.00 6.03 +ATOM 209 CD1 ILE 14 63.151 58.295 55.489 1.00 6.03 +ATOM 213 C ILE 14 63.715 61.549 53.320 1.00 6.03 +ATOM 214 O ILE 14 63.893 62.278 54.295 1.00 6.03 +ATOM 215 N HIS 15 64.563 61.533 52.291 1.00 5.48 +ATOM 217 CA HIS 15 65.798 62.321 52.186 1.00 5.48 +ATOM 219 CB HIS 15 65.454 63.815 52.030 1.00 5.48 +ATOM 222 CG HIS 15 66.540 64.610 51.346 1.00 5.48 +ATOM 223 ND1 HIS 15 67.871 64.214 51.222 1.00 5.48 +ATOM 224 CE1 HIS 15 68.494 65.179 50.534 1.00 5.48 +ATOM 226 NE2 HIS 15 67.623 66.146 50.201 1.00 5.48 +ATOM 228 CD2 HIS 15 66.384 65.808 50.709 1.00 5.48 +ATOM 230 C HIS 15 66.812 62.004 53.302 1.00 5.48 +ATOM 231 O HIS 15 66.761 62.611 54.371 1.00 5.48 +ATOM 232 N PRO 16 67.700 61.011 53.098 1.00 4.06 +ATOM 233 CD PRO 16 67.998 60.396 51.810 1.00 4.06 +ATOM 236 CG PRO 16 69.143 59.419 52.057 1.00 4.06 +ATOM 239 CB PRO 16 68.888 58.991 53.497 1.00 4.06 +ATOM 242 CA PRO 16 68.410 60.290 54.164 1.00 4.06 +ATOM 244 C PRO 16 69.552 61.061 54.876 1.00 4.06 +ATOM 245 O PRO 16 70.478 60.448 55.399 1.00 4.06 +ATOM 246 N ASP 17 69.462 62.388 54.916 1.00 4.51 +ATOM 248 CA ASP 17 70.261 63.295 55.750 1.00 4.51 +ATOM 250 CB ASP 17 71.421 63.877 54.917 1.00 4.51 +ATOM 253 CG ASP 17 72.040 65.140 55.533 1.00 4.51 +ATOM 254 OD1 ASP 17 73.063 65.003 56.238 1.00 4.51 +ATOM 255 OD2 ASP 17 71.495 66.234 55.259 1.00 4.51 +ATOM 256 C ASP 17 69.364 64.376 56.386 1.00 4.51 +ATOM 257 O ASP 17 69.229 64.376 57.611 1.00 4.51 +ATOM 258 N PRO 18 68.621 65.212 55.622 1.00 3.59 +ATOM 259 CD PRO 18 68.619 65.380 54.177 1.00 3.59 +ATOM 262 CG PRO 18 67.519 66.398 53.876 1.00 3.59 +ATOM 265 CB PRO 18 67.494 67.257 55.128 1.00 3.59 +ATOM 268 CA PRO 18 67.776 66.233 56.225 1.00 3.59 +ATOM 270 C PRO 18 66.514 65.690 56.893 1.00 3.59 +ATOM 271 O PRO 18 65.829 66.447 57.584 1.00 3.59 +ATOM 272 N GLY 19 66.172 64.417 56.663 1.00 2.20 +ATOM 274 CA GLY 19 64.909 63.813 57.078 1.00 2.20 +ATOM 277 C GLY 19 63.726 64.699 56.710 1.00 2.20 +ATOM 278 O GLY 19 62.959 65.097 57.587 1.00 2.20 +ATOM 279 N ARG 20 63.657 65.106 55.436 1.00 1.89 +ATOM 281 CA ARG 20 62.693 66.085 54.917 1.00 1.89 +ATOM 283 CB ARG 20 63.414 67.248 54.208 1.00 1.89 +ATOM 286 CG ARG 20 62.533 68.497 53.971 1.00 1.89 +ATOM 289 CD ARG 20 62.487 69.528 55.118 1.00 1.89 +ATOM 292 NE ARG 20 61.943 68.976 56.373 1.00 1.89 +ATOM 294 CZ ARG 20 62.615 68.376 57.335 1.00 1.89 +ATOM 295 NH1 ARG 20 63.916 68.388 57.360 1.00 1.89 +ATOM 298 NH2 ARG 20 62.001 67.690 58.246 1.00 1.89 +ATOM 301 C ARG 20 61.675 65.372 54.027 1.00 1.89 +ATOM 302 O ARG 20 62.013 64.527 53.204 1.00 1.89 +ATOM 303 N GLU 21 60.415 65.717 54.226 1.00 1.62 +ATOM 305 CA GLU 21 59.224 64.901 53.982 1.00 1.62 +ATOM 307 CB GLU 21 58.097 65.417 54.914 1.00 1.62 +ATOM 310 CG GLU 21 58.432 65.514 56.421 1.00 1.62 +ATOM 313 CD GLU 21 59.157 66.802 56.871 1.00 1.62 +ATOM 314 OE1 GLU 21 59.364 66.986 58.089 1.00 1.62 +ATOM 315 OE2 GLU 21 59.631 67.601 56.032 1.00 1.62 +ATOM 316 C GLU 21 58.735 64.888 52.507 1.00 1.62 +ATOM 317 O GLU 21 57.537 64.815 52.238 1.00 1.62 +ATOM 318 N LEU 22 59.655 65.034 51.554 1.00 1.64 +ATOM 320 CA LEU 22 59.399 65.466 50.175 1.00 1.64 +ATOM 322 CB LEU 22 60.731 65.431 49.394 1.00 1.64 +ATOM 325 CG LEU 22 61.545 66.737 49.450 1.00 1.64 +ATOM 327 CD1 LEU 22 62.024 67.097 50.854 1.00 1.64 +ATOM 331 CD2 LEU 22 62.792 66.612 48.570 1.00 1.64 +ATOM 335 C LEU 22 58.309 64.701 49.413 1.00 1.64 +ATOM 336 O LEU 22 58.373 63.477 49.264 1.00 1.64 +ATOM 337 N SER 23 57.367 65.437 48.817 1.00 1.72 +ATOM 339 CA SER 23 56.407 64.817 47.903 1.00 1.72 +ATOM 341 CB SER 23 55.348 65.816 47.422 1.00 1.72 +ATOM 344 OG SER 23 54.312 65.162 46.685 1.00 1.72 +ATOM 346 C SER 23 57.138 64.163 46.728 1.00 1.72 +ATOM 347 O SER 23 58.149 64.695 46.272 1.00 1.72 +ATOM 348 N PRO 24 56.641 63.034 46.198 1.00 1.96 +ATOM 349 CD PRO 24 55.626 62.187 46.798 1.00 1.96 +ATOM 352 CG PRO 24 55.394 61.011 45.849 1.00 1.96 +ATOM 355 CB PRO 24 55.954 61.550 44.541 1.00 1.96 +ATOM 358 CA PRO 24 57.162 62.336 45.046 1.00 1.96 +ATOM 360 C PRO 24 57.792 63.147 43.922 1.00 1.96 +ATOM 361 O PRO 24 58.820 62.754 43.379 1.00 1.96 +ATOM 362 N GLU 25 57.194 64.280 43.575 1.00 2.02 +ATOM 364 CA GLU 25 57.748 65.127 42.530 1.00 2.02 +ATOM 366 CB GLU 25 56.640 66.033 41.999 1.00 2.02 +ATOM 369 CG GLU 25 56.935 66.382 40.536 1.00 2.02 +ATOM 372 CD GLU 25 56.280 67.681 40.085 1.00 2.02 +ATOM 373 OE1 GLU 25 56.346 67.964 38.874 1.00 2.02 +ATOM 374 OE2 GLU 25 55.941 68.534 40.933 1.00 2.02 +ATOM 375 C GLU 25 58.960 65.959 43.003 1.00 2.02 +ATOM 376 O GLU 25 59.928 66.146 42.264 1.00 2.02 +ATOM 377 N GLU 26 58.961 66.414 44.260 1.00 1.90 +ATOM 379 CA GLU 26 60.136 67.035 44.876 1.00 1.90 +ATOM 381 CB GLU 26 59.867 67.539 46.302 1.00 1.90 +ATOM 384 CG GLU 26 58.865 68.670 46.504 1.00 1.90 +ATOM 387 CD GLU 26 58.834 68.972 48.010 1.00 1.90 +ATOM 388 OE1 GLU 26 58.108 68.231 48.715 1.00 1.90 +ATOM 389 OE2 GLU 26 59.612 69.847 48.453 1.00 1.90 +ATOM 390 C GLU 26 61.293 66.058 45.002 1.00 1.90 +ATOM 391 O GLU 26 62.433 66.411 44.726 1.00 1.90 +ATOM 392 N ALA 27 61.023 64.832 45.438 1.00 1.98 +ATOM 394 CA ALA 27 62.052 63.825 45.642 1.00 1.98 +ATOM 396 CB ALA 27 61.427 62.761 46.537 1.00 1.98 +ATOM 400 C ALA 27 62.646 63.322 44.307 1.00 1.98 +ATOM 401 O ALA 27 63.873 63.176 44.179 1.00 1.98 +ATOM 402 N HIS 28 61.807 63.182 43.273 1.00 2.21 +ATOM 404 CA HIS 28 62.292 63.018 41.903 1.00 2.21 +ATOM 406 CB HIS 28 61.127 62.866 40.913 1.00 2.21 +ATOM 409 CG HIS 28 61.636 62.873 39.497 1.00 2.21 +ATOM 410 ND1 HIS 28 61.454 63.919 38.591 1.00 2.21 +ATOM 411 CE1 HIS 28 62.308 63.674 37.588 1.00 2.21 +ATOM 413 NE2 HIS 28 62.998 62.543 37.809 1.00 2.21 +ATOM 415 CD2 HIS 28 62.589 62.024 39.014 1.00 2.21 +ATOM 417 C HIS 28 63.219 64.153 41.485 1.00 2.21 +ATOM 418 O HIS 28 64.359 63.888 41.107 1.00 2.21 +ATOM 419 N ARG 29 62.791 65.413 41.631 1.00 2.21 +ATOM 421 CA ARG 29 63.657 66.566 41.342 1.00 2.21 +ATOM 423 CB ARG 29 62.922 67.887 41.610 1.00 2.21 +ATOM 426 CG ARG 29 61.905 68.255 40.531 1.00 2.21 +ATOM 429 CD ARG 29 61.307 69.624 40.878 1.00 2.21 +ATOM 432 NE ARG 29 60.243 69.981 39.928 1.00 2.21 +ATOM 434 CZ ARG 29 58.946 69.826 40.113 1.00 2.21 +ATOM 435 NH1 ARG 29 58.425 69.535 41.269 1.00 2.21 +ATOM 438 NH2 ARG 29 58.153 69.951 39.092 1.00 2.21 +ATOM 441 C ARG 29 64.954 66.588 42.140 1.00 2.21 +ATOM 442 O ARG 29 65.924 67.152 41.645 1.00 2.21 +ATOM 443 N ALA 30 64.987 66.021 43.347 1.00 2.20 +ATOM 445 CA ALA 30 66.178 66.059 44.192 1.00 2.20 +ATOM 447 CB ALA 30 65.713 66.104 45.655 1.00 2.20 +ATOM 451 C ALA 30 67.083 64.852 43.915 1.00 2.20 +ATOM 452 O ALA 30 68.165 64.752 44.493 1.00 2.20 +ATOM 453 N GLY 31 66.639 63.931 43.050 1.00 2.36 +ATOM 455 CA GLY 31 67.376 62.723 42.710 1.00 2.36 +ATOM 458 C GLY 31 67.379 61.692 43.830 1.00 2.36 +ATOM 459 O GLY 31 68.234 60.812 43.872 1.00 2.36 +ATOM 460 N LEU 32 66.423 61.819 44.751 1.00 2.19 +ATOM 462 CA LEU 32 66.150 60.834 45.780 1.00 2.19 +ATOM 464 CB LEU 32 65.187 61.407 46.830 1.00 2.19 +ATOM 467 CG LEU 32 65.773 62.588 47.616 1.00 2.19 +ATOM 469 CD1 LEU 32 64.725 63.141 48.579 1.00 2.19 +ATOM 473 CD2 LEU 32 66.996 62.161 48.428 1.00 2.19 +ATOM 477 C LEU 32 65.612 59.555 45.170 1.00 2.19 +ATOM 478 O LEU 32 66.137 58.500 45.512 1.00 2.19 +ATOM 479 N ILE 33 64.631 59.642 44.252 1.00 2.31 +ATOM 481 CA ILE 33 64.294 58.459 43.419 1.00 2.31 +ATOM 483 CB ILE 33 63.349 57.395 44.097 1.00 2.31 +ATOM 485 CG2 ILE 33 63.740 55.996 43.566 1.00 2.31 +ATOM 489 CG1 ILE 33 63.394 57.125 45.633 1.00 2.31 +ATOM 492 CD1 ILE 33 62.758 58.154 46.559 1.00 2.31 +ATOM 496 C ILE 33 63.869 58.841 41.980 1.00 2.31 +ATOM 497 O ILE 33 63.553 59.997 41.731 1.00 2.31 +ATOM 498 N ASP 34 63.909 57.916 41.013 1.00 2.56 +ATOM 500 CA ASP 34 63.638 58.152 39.583 1.00 2.56 +ATOM 502 CB ASP 34 64.123 56.961 38.733 1.00 2.56 +ATOM 505 CG ASP 34 65.400 56.295 39.247 1.00 2.56 +ATOM 506 OD1 ASP 34 66.468 56.597 38.677 1.00 2.56 +ATOM 507 OD2 ASP 34 65.263 55.512 40.214 1.00 2.56 +ATOM 508 C ASP 34 62.160 58.409 39.231 1.00 2.56 +ATOM 509 O ASP 34 61.292 58.286 40.081 1.00 2.56 +ATOM 510 N TRP 35 61.841 58.683 37.955 1.00 2.61 +ATOM 512 CA TRP 35 60.457 58.856 37.465 1.00 2.61 +ATOM 514 CB TRP 35 60.466 59.159 35.956 1.00 2.61 +ATOM 517 CG TRP 35 61.031 60.467 35.498 1.00 2.61 +ATOM 518 CD1 TRP 35 60.307 61.578 35.231 1.00 2.61 +ATOM 520 NE1 TRP 35 61.134 62.574 34.753 1.00 2.61 +ATOM 522 CE2 TRP 35 62.449 62.163 34.723 1.00 2.61 +ATOM 523 CZ2 TRP 35 63.643 62.812 34.379 1.00 2.61 +ATOM 525 CH2 TRP 35 64.858 62.117 34.507 1.00 2.61 +ATOM 527 CZ3 TRP 35 64.861 60.786 34.961 1.00 2.61 +ATOM 529 CE3 TRP 35 63.655 60.138 35.290 1.00 2.61 +ATOM 531 CD2 TRP 35 62.418 60.814 35.195 1.00 2.61 +ATOM 532 C TRP 35 59.533 57.640 37.676 1.00 2.61 +ATOM 533 O TRP 35 58.415 57.770 38.177 1.00 2.61 +ATOM 534 N ASN 36 59.960 56.449 37.244 1.00 2.80 +ATOM 536 CA ASN 36 59.145 55.226 37.288 1.00 2.80 +ATOM 538 CB ASN 36 59.749 54.153 36.352 1.00 2.80 +ATOM 541 CG ASN 36 61.188 53.751 36.647 1.00 2.80 +ATOM 542 OD1 ASN 36 61.911 54.406 37.372 1.00 2.80 +ATOM 543 ND2 ASN 36 61.664 52.675 36.072 1.00 2.80 +ATOM 546 C ASN 36 58.940 54.730 38.728 1.00 2.80 +ATOM 547 O ASN 36 57.819 54.405 39.160 1.00 2.80 +ATOM 548 N MET 37 60.029 54.779 39.493 1.00 2.56 +ATOM 550 CA MET 37 59.994 54.614 40.933 1.00 2.56 +ATOM 552 CB MET 37 61.386 54.753 41.554 1.00 2.56 +ATOM 555 CG MET 37 62.514 54.029 40.801 1.00 2.56 +ATOM 558 SD MET 37 62.257 52.311 40.286 1.00 2.56 +ATOM 559 CE MET 37 63.872 52.079 39.495 1.00 2.56 +ATOM 563 C MET 37 58.991 55.577 41.556 1.00 2.56 +ATOM 564 O MET 37 58.134 55.121 42.306 1.00 2.56 +ATOM 565 N PHE 38 59.007 56.862 41.180 1.00 2.34 +ATOM 567 CA PHE 38 58.094 57.841 41.748 1.00 2.34 +ATOM 569 CB PHE 38 58.613 59.282 41.759 1.00 2.34 +ATOM 572 CG PHE 38 59.211 59.595 43.115 1.00 2.34 +ATOM 573 CD1 PHE 38 58.436 59.410 44.278 1.00 2.34 +ATOM 575 CE1 PHE 38 58.995 59.585 45.551 1.00 2.34 +ATOM 577 CZ PHE 38 60.328 59.980 45.659 1.00 2.34 +ATOM 579 CE2 PHE 38 61.108 60.178 44.505 1.00 2.34 +ATOM 581 CD2 PHE 38 60.555 59.966 43.233 1.00 2.34 +ATOM 583 C PHE 38 56.627 57.746 41.321 1.00 2.34 +ATOM 584 O PHE 38 55.772 58.196 42.084 1.00 2.34 +ATOM 585 N VAL 39 56.288 57.084 40.206 1.00 2.60 +ATOM 587 CA VAL 39 54.876 56.716 39.975 1.00 2.60 +ATOM 589 CB VAL 39 54.462 56.584 38.497 1.00 2.60 +ATOM 591 CG1 VAL 39 54.609 57.926 37.773 1.00 2.60 +ATOM 595 CG2 VAL 39 55.213 55.517 37.705 1.00 2.60 +ATOM 599 C VAL 39 54.419 55.493 40.793 1.00 2.60 +ATOM 600 O VAL 39 53.296 55.487 41.329 1.00 2.60 +ATOM 601 N LYS 40 55.290 54.487 40.990 1.00 2.65 +ATOM 603 CA LYS 40 54.960 53.392 41.931 1.00 2.65 +ATOM 605 CB LYS 40 56.099 52.359 41.919 1.00 2.65 +ATOM 608 CG LYS 40 55.850 51.160 42.848 1.00 2.65 +ATOM 611 CD LYS 40 55.164 49.973 42.161 1.00 2.65 +ATOM 614 CE LYS 40 55.167 48.744 43.083 1.00 2.65 +ATOM 617 NZ LYS 40 56.522 48.148 43.212 1.00 2.65 +ATOM 621 C LYS 40 54.699 53.923 43.370 1.00 2.65 +ATOM 622 O LYS 40 53.652 53.756 44.009 1.00 2.65 +ATOM 623 N LEU 41 55.672 54.683 43.837 1.00 2.32 +ATOM 625 CA LEU 41 55.646 55.465 45.062 1.00 2.32 +ATOM 627 CB LEU 41 56.895 56.354 45.037 1.00 2.32 +ATOM 630 CG LEU 41 58.119 55.722 45.686 1.00 2.32 +ATOM 632 CD1 LEU 41 59.486 56.132 45.130 1.00 2.32 +ATOM 636 CD2 LEU 41 58.070 56.160 47.135 1.00 2.32 +ATOM 640 C LEU 41 54.462 56.418 45.174 1.00 2.32 +ATOM 641 O LEU 41 54.034 56.577 46.291 1.00 2.32 +ATOM 642 N ARG 42 53.917 57.055 44.121 1.00 2.31 +ATOM 644 CA ARG 42 52.627 57.791 44.212 1.00 2.31 +ATOM 646 CB ARG 42 52.365 58.641 42.945 1.00 2.31 +ATOM 649 CG ARG 42 52.810 60.115 43.044 1.00 2.31 +ATOM 652 CD ARG 42 51.876 60.965 43.929 1.00 2.31 +ATOM 655 NE ARG 42 52.276 62.395 43.994 1.00 2.31 +ATOM 657 CZ ARG 42 51.659 63.364 44.666 1.00 2.31 +ATOM 658 NH1 ARG 42 50.564 63.174 45.337 1.00 2.31 +ATOM 661 NH2 ARG 42 52.131 64.581 44.665 1.00 2.31 +ATOM 664 C ARG 42 51.465 56.855 44.454 1.00 2.31 +ATOM 665 O ARG 42 50.636 57.168 45.298 1.00 2.31 +ATOM 666 N SER 43 51.487 55.673 43.837 1.00 2.41 +ATOM 668 CA SER 43 50.591 54.572 44.243 1.00 2.41 +ATOM 670 CB SER 43 50.671 53.373 43.281 1.00 2.41 +ATOM 673 OG SER 43 50.708 53.774 41.921 1.00 2.41 +ATOM 675 C SER 43 50.804 54.084 45.694 1.00 2.41 +ATOM 676 O SER 43 50.023 53.239 46.134 1.00 2.41 +ATOM 677 N GLN 44 51.780 54.640 46.441 1.00 2.17 +ATOM 679 CA GLN 44 51.744 54.649 47.929 1.00 2.17 +ATOM 681 CB GLN 44 52.861 53.747 48.484 1.00 2.17 +ATOM 684 CG GLN 44 52.438 52.999 49.764 1.00 2.17 +ATOM 687 CD GLN 44 51.731 51.665 49.499 1.00 2.17 +ATOM 688 OE1 GLN 44 50.708 51.538 48.838 1.00 2.17 +ATOM 689 NE2 GLN 44 52.276 50.581 50.009 1.00 2.17 +ATOM 692 C GLN 44 51.668 56.018 48.670 1.00 2.17 +ATOM 693 O GLN 44 51.295 56.063 49.839 1.00 2.17 +ATOM 694 N GLU 45 51.951 57.159 48.047 1.00 1.96 +ATOM 696 CA GLU 45 51.952 58.485 48.689 1.00 1.96 +ATOM 698 CB GLU 45 53.052 59.390 48.114 1.00 1.96 +ATOM 701 CG GLU 45 53.024 60.835 48.661 1.00 1.96 +ATOM 704 CD GLU 45 52.226 61.798 47.763 1.00 1.96 +ATOM 705 OE1 GLU 45 52.583 63.000 47.676 1.00 1.96 +ATOM 706 OE2 GLU 45 51.311 61.325 47.047 1.00 1.96 +ATOM 707 C GLU 45 50.557 59.093 48.655 1.00 1.96 +ATOM 708 O GLU 45 50.177 59.826 49.555 1.00 1.96 +ATOM 709 N CYS 46 49.737 58.638 47.718 1.00 2.12 +ATOM 711 CA CYS 46 48.292 58.738 47.769 1.00 2.12 +ATOM 713 CB CYS 46 47.817 58.747 46.316 1.00 2.12 +ATOM 716 SG CYS 46 48.608 60.138 45.435 1.00 2.12 +ATOM 718 C CYS 46 47.672 57.660 48.698 1.00 2.12 +ATOM 719 O CYS 46 46.487 57.360 48.624 1.00 2.12 +ATOM 720 N ASP 47 48.453 57.120 49.641 1.00 2.10 +ATOM 722 CA ASP 47 47.910 56.569 50.890 1.00 2.10 +ATOM 724 CB ASP 47 48.200 55.059 50.976 1.00 2.10 +ATOM 727 CG ASP 47 47.094 54.253 50.299 1.00 2.10 +ATOM 728 OD1 ASP 47 47.282 53.816 49.145 1.00 2.10 +ATOM 729 OD2 ASP 47 46.061 54.026 50.974 1.00 2.10 +ATOM 730 C ASP 47 48.341 57.374 52.136 1.00 2.10 +ATOM 731 O ASP 47 48.118 56.947 53.274 1.00 2.10 +ATOM 732 N TRP 48 48.929 58.559 51.923 1.00 1.85 +ATOM 734 CA TRP 48 49.333 59.549 52.929 1.00 1.85 +ATOM 736 CB TRP 48 50.865 59.750 52.915 1.00 1.85 +ATOM 739 CG TRP 48 51.821 58.606 53.153 1.00 1.85 +ATOM 740 CD1 TRP 48 51.560 57.276 53.133 1.00 1.85 +ATOM 742 NE1 TRP 48 52.723 56.559 53.316 1.00 1.85 +ATOM 744 CE2 TRP 48 53.805 57.387 53.494 1.00 1.85 +ATOM 745 CZ2 TRP 48 55.169 57.139 53.708 1.00 1.85 +ATOM 747 CH2 TRP 48 56.050 58.227 53.812 1.00 1.85 +ATOM 749 CZ3 TRP 48 55.560 59.537 53.669 1.00 1.85 +ATOM 751 CE3 TRP 48 54.188 59.773 53.449 1.00 1.85 +ATOM 753 CD2 TRP 48 53.267 58.703 53.372 1.00 1.85 +ATOM 754 C TRP 48 48.645 60.922 52.663 1.00 1.85 +ATOM 755 O TRP 48 48.135 61.547 53.593 1.00 1.85 +ATOM 756 N GLU 49 48.561 61.359 51.401 1.00 1.89 +ATOM 758 CA GLU 49 47.375 62.016 50.830 1.00 1.89 +ATOM 760 CB GLU 49 47.741 63.059 49.746 1.00 1.89 +ATOM 763 CG GLU 49 47.423 64.518 50.154 1.00 1.89 +ATOM 766 CD GLU 49 45.928 64.842 50.375 1.00 1.89 +ATOM 767 OE1 GLU 49 45.042 64.122 49.859 1.00 1.89 +ATOM 768 OE2 GLU 49 45.594 65.785 51.129 1.00 1.89 +ATOM 769 C GLU 49 46.367 60.965 50.324 1.00 1.89 +ATOM 770 O GLU 49 46.617 59.768 50.403 1.00 1.89 +ATOM 771 N GLU 50 45.174 61.384 49.909 1.00 2.21 +ATOM 773 CA GLU 50 43.973 60.550 49.902 1.00 2.21 +ATOM 775 CB GLU 50 42.755 61.412 50.320 1.00 2.21 +ATOM 778 CG GLU 50 41.421 60.654 50.493 1.00 2.21 +ATOM 781 CD GLU 50 41.344 59.869 51.809 1.00 2.21 +ATOM 782 OE1 GLU 50 41.119 60.501 52.867 1.00 2.21 +ATOM 783 OE2 GLU 50 41.575 58.643 51.785 1.00 2.21 +ATOM 784 C GLU 50 43.700 59.860 48.567 1.00 2.21 +ATOM 785 O GLU 50 43.163 60.479 47.645 1.00 2.21 +ATOM 786 N ILE 51 43.931 58.545 48.506 1.00 2.50 +ATOM 788 CA ILE 51 43.159 57.672 47.626 1.00 2.50 +ATOM 790 CB ILE 51 43.791 57.380 46.224 1.00 2.50 +ATOM 792 CG2 ILE 51 44.112 58.645 45.417 1.00 2.50 +ATOM 796 CG1 ILE 51 44.953 56.359 46.221 1.00 2.50 +ATOM 799 CD1 ILE 51 45.007 55.508 44.946 1.00 2.50 +ATOM 803 C ILE 51 42.629 56.373 48.239 1.00 2.50 +ATOM 804 O ILE 51 43.010 55.949 49.325 1.00 2.50 +ATOM 805 N SER 52 41.722 55.779 47.472 1.00 4.94 +ATOM 807 CA SER 52 40.715 54.772 47.785 1.00 4.94 +ATOM 809 CB SER 52 39.814 54.583 46.547 1.00 4.94 +ATOM 812 OG SER 52 39.455 55.836 46.007 1.00 4.94 +ATOM 814 C SER 52 41.159 53.376 48.311 1.00 4.94 +ATOM 815 O SER 52 40.566 52.362 48.023 1.00 4.94 +ATOM 816 N VAL 53 42.206 53.339 49.150 1.00 6.75 +ATOM 818 CA VAL 53 42.126 52.738 50.501 1.00 6.75 +ATOM 820 CB VAL 53 40.974 53.370 51.330 1.00 6.75 +ATOM 822 CG1 VAL 53 39.660 52.578 51.295 1.00 6.75 +ATOM 826 CG2 VAL 53 41.379 53.615 52.792 1.00 6.75 +ATOM 830 C VAL 53 42.275 51.232 50.667 1.00 6.75 +ATOM 831 O VAL 53 42.449 50.747 51.777 1.00 6.75 +ATOM 832 N LYS 54 42.295 50.499 49.550 1.00 7.15 +ATOM 834 CA LYS 54 42.883 49.161 49.401 1.00 7.15 +ATOM 836 CB LYS 54 43.547 49.084 47.994 1.00 7.15 +ATOM 839 CG LYS 54 44.168 50.361 47.344 1.00 7.15 +ATOM 842 CD LYS 54 45.321 51.164 48.007 1.00 7.15 +ATOM 845 CE LYS 54 46.709 50.491 48.000 1.00 7.15 +ATOM 848 NZ LYS 54 47.822 51.491 48.053 1.00 7.15 +ATOM 852 C LYS 54 43.928 48.765 50.452 1.00 7.15 +ATOM 853 O LYS 54 45.060 49.246 50.438 1.00 7.15 +ATOM 854 N GLY 55 43.596 47.756 51.251 1.00 7.49 +ATOM 856 CA GLY 55 44.588 46.943 51.952 1.00 7.49 +ATOM 859 C GLY 55 45.061 47.531 53.315 1.00 7.49 +ATOM 860 O GLY 55 45.646 46.752 54.069 1.00 7.49 +ATOM 861 N PRO 56 44.754 48.785 53.713 1.00 6.56 +ATOM 862 CD PRO 56 43.584 49.021 54.544 1.00 6.56 +ATOM 865 CG PRO 56 43.869 50.288 55.347 1.00 6.56 +ATOM 868 CB PRO 56 44.802 51.087 54.448 1.00 6.56 +ATOM 871 CA PRO 56 45.607 50.032 53.707 1.00 6.56 +ATOM 873 C PRO 56 47.053 49.911 54.191 1.00 6.56 +ATOM 874 O PRO 56 47.776 50.908 54.168 1.00 6.56 +ATOM 875 N ASN 57 47.468 48.731 54.659 1.00 6.93 +ATOM 877 CA ASN 57 48.315 48.541 55.822 1.00 6.93 +ATOM 879 CB ASN 57 49.811 48.776 55.478 1.00 6.93 +ATOM 882 CG ASN 57 50.441 49.997 56.148 1.00 6.93 +ATOM 883 OD1 ASN 57 51.158 49.896 57.141 1.00 6.93 +ATOM 884 ND2 ASN 57 50.146 51.184 55.679 1.00 6.93 +ATOM 887 C ASN 57 47.836 49.360 57.036 1.00 6.93 +ATOM 888 O ASN 57 47.311 50.466 56.956 1.00 6.93 +ATOM 889 N GLY 58 48.168 48.844 58.199 1.00 6.18 +ATOM 891 CA GLY 58 48.607 49.687 59.310 1.00 6.18 +ATOM 894 C GLY 58 49.728 49.020 60.095 1.00 6.18 +ATOM 895 O GLY 58 50.117 49.492 61.159 1.00 6.18 +ATOM 896 N GLU 59 50.232 47.901 59.560 1.00 7.21 +ATOM 898 CA GLU 59 51.167 47.011 60.228 1.00 7.21 +ATOM 900 CB GLU 59 51.448 45.738 59.390 1.00 7.21 +ATOM 903 CG GLU 59 50.215 45.062 58.753 1.00 7.21 +ATOM 906 CD GLU 59 50.170 43.537 58.962 1.00 7.21 +ATOM 907 OE1 GLU 59 49.416 43.124 59.872 1.00 7.21 +ATOM 908 OE2 GLU 59 50.805 42.759 58.211 1.00 7.21 +ATOM 909 C GLU 59 52.490 47.707 60.565 1.00 7.21 +ATOM 910 O GLU 59 53.139 47.363 61.547 1.00 7.21 +ATOM 911 N SER 60 52.826 48.765 59.825 1.00 7.09 +ATOM 913 CA SER 60 53.754 49.796 60.282 1.00 7.09 +ATOM 915 CB SER 60 54.110 50.736 59.114 1.00 7.09 +ATOM 918 OG SER 60 52.967 51.389 58.573 1.00 7.09 +ATOM 920 C SER 60 53.217 50.519 61.521 1.00 7.09 +ATOM 921 O SER 60 53.366 50.017 62.639 1.00 7.09 +ATOM 922 N SER 61 52.534 51.653 61.354 1.00 5.84 +ATOM 924 CA SER 61 51.721 52.232 62.415 1.00 5.84 +ATOM 926 CB SER 61 52.596 52.825 63.535 1.00 5.84 +ATOM 929 OG SER 61 52.852 51.828 64.500 1.00 5.84 +ATOM 931 C SER 61 50.766 53.304 61.962 1.00 5.84 +ATOM 932 O SER 61 51.048 54.089 61.054 1.00 5.84 +ATOM 933 N VAL 62 49.678 53.336 62.729 1.00 3.35 +ATOM 935 CA VAL 62 48.513 54.206 62.679 1.00 3.35 +ATOM 937 CB VAL 62 48.639 55.427 63.621 1.00 3.35 +ATOM 939 CG1 VAL 62 48.193 55.063 65.045 1.00 3.35 +ATOM 943 CG2 VAL 62 50.064 55.988 63.766 1.00 3.35 +ATOM 947 C VAL 62 48.057 54.546 61.271 1.00 3.35 +ATOM 948 O VAL 62 48.685 55.313 60.538 1.00 3.35 +ATOM 949 N ILE 63 46.935 53.940 60.884 1.00 1.86 +ATOM 951 CA ILE 63 46.221 54.284 59.654 1.00 1.86 +ATOM 953 CB ILE 63 44.800 53.665 59.619 1.00 1.86 +ATOM 955 CG2 ILE 63 44.225 53.755 58.191 1.00 1.86 +ATOM 959 CG1 ILE 63 44.717 52.219 60.143 1.00 1.86 +ATOM 962 CD1 ILE 63 45.596 51.233 59.386 1.00 1.86 +ATOM 966 C ILE 63 46.067 55.807 59.632 1.00 1.86 +ATOM 967 O ILE 63 45.703 56.441 60.627 1.00 1.86 +ATOM 968 N HIS 64 46.380 56.407 58.498 1.00 2.16 +ATOM 970 CA HIS 64 46.433 57.851 58.368 1.00 2.16 +ATOM 972 CB HIS 64 47.745 58.178 57.651 1.00 2.16 +ATOM 975 CG HIS 64 48.030 59.642 57.498 1.00 2.16 +ATOM 976 ND1 HIS 64 48.702 60.457 58.415 1.00 2.16 +ATOM 977 CE1 HIS 64 48.896 61.625 57.774 1.00 2.16 +ATOM 979 NE2 HIS 64 48.383 61.573 56.532 1.00 2.16 +ATOM 981 CD2 HIS 64 47.826 60.336 56.351 1.00 2.16 +ATOM 983 C HIS 64 45.191 58.333 57.632 1.00 2.16 +ATOM 984 O HIS 64 45.041 58.055 56.453 1.00 2.16 +ATOM 985 N ASP 65 44.240 58.958 58.310 1.00 2.00 +ATOM 987 CA ASP 65 43.070 59.538 57.650 1.00 2.00 +ATOM 989 CB ASP 65 42.133 60.106 58.721 1.00 2.00 +ATOM 992 CG ASP 65 40.978 60.895 58.117 1.00 2.00 +ATOM 993 OD1 ASP 65 40.043 60.248 57.604 1.00 2.00 +ATOM 994 OD2 ASP 65 41.051 62.137 58.103 1.00 2.00 +ATOM 995 C ASP 65 43.502 60.654 56.702 1.00 2.00 +ATOM 996 O ASP 65 43.817 61.766 57.130 1.00 2.00 +ATOM 997 N ARG 66 43.591 60.322 55.415 1.00 2.12 +ATOM 999 CA ARG 66 44.239 61.174 54.425 1.00 2.12 +ATOM 1001 CB ARG 66 44.596 60.358 53.184 1.00 2.12 +ATOM 1004 CG ARG 66 45.282 58.979 53.358 1.00 2.12 +ATOM 1007 CD ARG 66 44.304 57.793 53.240 1.00 2.12 +ATOM 1010 NE ARG 66 44.966 56.481 53.069 1.00 2.12 +ATOM 1012 CZ ARG 66 45.199 55.539 53.963 1.00 2.12 +ATOM 1013 NH1 ARG 66 44.978 55.689 55.231 1.00 2.12 +ATOM 1016 NH2 ARG 66 45.638 54.371 53.615 1.00 2.12 +ATOM 1019 C ARG 66 43.465 62.465 54.152 1.00 2.12 +ATOM 1020 O ARG 66 44.075 63.438 53.716 1.00 2.12 +ATOM 1021 N LYS 67 42.173 62.547 54.504 1.00 2.21 +ATOM 1023 CA LYS 67 41.398 63.798 54.496 1.00 2.21 +ATOM 1025 CB LYS 67 39.966 63.598 53.974 1.00 2.21 +ATOM 1028 CG LYS 67 39.642 64.521 52.777 1.00 2.21 +ATOM 1031 CD LYS 67 40.590 64.379 51.560 1.00 2.21 +ATOM 1034 CE LYS 67 41.718 65.434 51.508 1.00 2.21 +ATOM 1037 NZ LYS 67 43.076 64.833 51.505 1.00 2.21 +ATOM 1041 C LYS 67 41.529 64.732 55.691 1.00 2.21 +ATOM 1042 O LYS 67 41.236 65.913 55.523 1.00 2.21 +ATOM 1043 N SER 68 42.127 64.299 56.798 1.00 2.03 +ATOM 1045 CA SER 68 42.623 65.217 57.841 1.00 2.03 +ATOM 1047 CB SER 68 42.249 64.709 59.237 1.00 2.03 +ATOM 1050 OG SER 68 40.873 64.424 59.322 1.00 2.03 +ATOM 1052 C SER 68 44.143 65.387 57.771 1.00 2.03 +ATOM 1053 O SER 68 44.709 66.271 58.417 1.00 2.03 +ATOM 1054 N GLY 69 44.821 64.495 57.043 1.00 1.89 +ATOM 1056 CA GLY 69 46.226 64.144 57.220 1.00 1.89 +ATOM 1059 C GLY 69 46.619 64.004 58.687 1.00 1.89 +ATOM 1060 O GLY 69 47.532 64.694 59.155 1.00 1.89 +ATOM 1061 N LYS 70 45.889 63.165 59.430 1.00 1.91 +ATOM 1063 CA LYS 70 46.157 62.855 60.842 1.00 1.91 +ATOM 1065 CB LYS 70 45.117 63.504 61.780 1.00 1.91 +ATOM 1068 CG LYS 70 45.057 65.039 61.715 1.00 1.91 +ATOM 1071 CD LYS 70 46.350 65.745 62.168 1.00 1.91 +ATOM 1074 CE LYS 70 46.471 67.173 61.619 1.00 1.91 +ATOM 1077 NZ LYS 70 46.645 67.176 60.144 1.00 1.91 +ATOM 1081 C LYS 70 46.183 61.347 61.036 1.00 1.91 +ATOM 1082 O LYS 70 45.362 60.610 60.495 1.00 1.91 +ATOM 1083 N LYS 71 47.135 60.896 61.847 1.00 1.83 +ATOM 1085 CA LYS 71 47.161 59.535 62.375 1.00 1.83 +ATOM 1087 CB LYS 71 48.462 59.351 63.174 1.00 1.83 +ATOM 1090 CG LYS 71 49.743 59.354 62.316 1.00 1.83 +ATOM 1093 CD LYS 71 49.671 58.328 61.178 1.00 1.83 +ATOM 1096 CE LYS 71 51.055 57.906 60.673 1.00 1.83 +ATOM 1099 NZ LYS 71 50.966 56.700 59.812 1.00 1.83 +ATOM 1103 C LYS 71 45.942 59.298 63.253 1.00 1.83 +ATOM 1104 O LYS 71 45.736 60.058 64.193 1.00 1.83 +ATOM 1105 N PHE 72 45.197 58.236 62.962 1.00 1.98 +ATOM 1107 CA PHE 72 44.096 57.794 63.807 1.00 1.98 +ATOM 1109 CB PHE 72 42.772 57.826 63.047 1.00 1.98 +ATOM 1112 CG PHE 72 42.162 59.214 63.078 1.00 1.98 +ATOM 1113 CD1 PHE 72 41.385 59.629 64.174 1.00 1.98 +ATOM 1115 CE1 PHE 72 40.803 60.910 64.188 1.00 1.98 +ATOM 1117 CZ PHE 72 41.015 61.788 63.113 1.00 1.98 +ATOM 1119 CE2 PHE 72 41.832 61.395 62.039 1.00 1.98 +ATOM 1121 CD2 PHE 72 42.416 60.115 62.035 1.00 1.98 +ATOM 1123 C PHE 72 44.421 56.456 64.450 1.00 1.98 +ATOM 1124 O PHE 72 45.197 55.647 63.929 1.00 1.98 +ATOM 1125 N SER 73 43.858 56.302 65.648 1.00 2.03 +ATOM 1127 CA SER 73 43.957 55.088 66.436 1.00 2.03 +ATOM 1129 CB SER 73 43.340 55.303 67.825 1.00 2.03 +ATOM 1132 OG SER 73 41.955 55.039 67.834 1.00 2.03 +ATOM 1134 C SER 73 43.314 53.918 65.688 1.00 2.03 +ATOM 1135 O SER 73 42.549 54.110 64.738 1.00 2.03 +ATOM 1136 N ILE 74 43.630 52.692 66.092 1.00 1.95 +ATOM 1138 CA ILE 74 43.071 51.518 65.429 1.00 1.95 +ATOM 1140 CB ILE 74 43.785 50.215 65.823 1.00 1.95 +ATOM 1142 CG2 ILE 74 45.142 50.167 65.125 1.00 1.95 +ATOM 1146 CG1 ILE 74 43.900 49.896 67.336 1.00 1.95 +ATOM 1149 CD1 ILE 74 44.931 50.665 68.179 1.00 1.95 +ATOM 1153 C ILE 74 41.555 51.401 65.585 1.00 1.95 +ATOM 1154 O ILE 74 40.867 50.927 64.680 1.00 1.95 +ATOM 1155 N GLU 75 41.039 51.885 66.709 1.00 2.27 +ATOM 1157 CA GLU 75 39.624 51.999 67.031 1.00 2.27 +ATOM 1159 CB GLU 75 39.428 52.442 68.497 1.00 2.27 +ATOM 1162 CG GLU 75 40.151 51.583 69.557 1.00 2.27 +ATOM 1165 CD GLU 75 41.655 51.877 69.722 1.00 2.27 +ATOM 1166 OE1 GLU 75 42.304 51.186 70.531 1.00 2.27 +ATOM 1167 OE2 GLU 75 42.181 52.767 69.009 1.00 2.27 +ATOM 1168 C GLU 75 38.911 52.982 66.091 1.00 2.27 +ATOM 1169 O GLU 75 37.868 52.638 65.542 1.00 2.27 +ATOM 1170 N GLU 76 39.477 54.171 65.842 1.00 2.28 +ATOM 1172 CA GLU 76 38.861 55.154 64.934 1.00 2.28 +ATOM 1174 CB GLU 76 39.373 56.571 65.231 1.00 2.28 +ATOM 1177 CG GLU 76 38.613 57.665 64.457 1.00 2.28 +ATOM 1180 CD GLU 76 37.108 57.646 64.744 1.00 2.28 +ATOM 1181 OE1 GLU 76 36.742 58.082 65.856 1.00 2.28 +ATOM 1182 OE2 GLU 76 36.345 57.146 63.885 1.00 2.28 +ATOM 1183 C GLU 76 39.022 54.774 63.449 1.00 2.28 +ATOM 1184 O GLU 76 38.192 55.082 62.592 1.00 2.28 +ATOM 1185 N ALA 77 40.061 54.018 63.100 1.00 2.12 +ATOM 1187 CA ALA 77 40.115 53.388 61.789 1.00 2.12 +ATOM 1189 CB ALA 77 41.493 52.759 61.604 1.00 2.12 +ATOM 1193 C ALA 77 38.965 52.377 61.594 1.00 2.12 +ATOM 1194 O ALA 77 38.222 52.465 60.611 1.00 2.12 +ATOM 1195 N LEU 78 38.777 51.462 62.551 1.00 2.36 +ATOM 1197 CA LEU 78 37.695 50.469 62.525 1.00 2.36 +ATOM 1199 CB LEU 78 37.888 49.531 63.734 1.00 2.36 +ATOM 1202 CG LEU 78 37.257 48.131 63.621 1.00 2.36 +ATOM 1204 CD1 LEU 78 37.746 47.287 64.801 1.00 2.36 +ATOM 1208 CD2 LEU 78 35.727 48.131 63.649 1.00 2.36 +ATOM 1212 C LEU 78 36.302 51.123 62.453 1.00 2.36 +ATOM 1213 O LEU 78 35.498 50.757 61.599 1.00 2.36 +ATOM 1214 N GLN 79 36.048 52.147 63.270 1.00 2.66 +ATOM 1216 CA GLN 79 34.822 52.949 63.234 1.00 2.66 +ATOM 1218 CB GLN 79 34.829 53.912 64.439 1.00 2.66 +ATOM 1221 CG GLN 79 33.618 54.858 64.561 1.00 2.66 +ATOM 1224 CD GLN 79 32.270 54.145 64.667 1.00 2.66 +ATOM 1225 OE1 GLN 79 31.723 53.904 65.731 1.00 2.66 +ATOM 1226 NE2 GLN 79 31.669 53.771 63.559 1.00 2.66 +ATOM 1229 C GLN 79 34.629 53.687 61.897 1.00 2.66 +ATOM 1230 O GLN 79 33.494 53.777 61.425 1.00 2.66 +ATOM 1231 N SER 80 35.700 54.143 61.234 1.00 2.54 +ATOM 1233 CA SER 80 35.594 54.741 59.891 1.00 2.54 +ATOM 1235 CB SER 80 36.640 55.853 59.692 1.00 2.54 +ATOM 1238 OG SER 80 37.976 55.454 59.950 1.00 2.54 +ATOM 1240 C SER 80 35.593 53.694 58.768 1.00 2.54 +ATOM 1241 O SER 80 35.553 54.053 57.593 1.00 2.54 +ATOM 1242 N GLY 81 35.625 52.399 59.103 1.00 2.67 +ATOM 1244 CA GLY 81 35.553 51.279 58.166 1.00 2.67 +ATOM 1247 C GLY 81 36.773 51.111 57.271 1.00 2.67 +ATOM 1248 O GLY 81 36.680 50.574 56.168 1.00 2.67 +ATOM 1249 N ARG 82 37.929 51.572 57.747 1.00 2.30 +ATOM 1251 CA ARG 82 39.217 51.463 57.035 1.00 2.30 +ATOM 1253 CB ARG 82 39.829 52.863 56.905 1.00 2.30 +ATOM 1256 CG ARG 82 38.947 53.728 55.988 1.00 2.30 +ATOM 1259 CD ARG 82 39.458 55.161 55.891 1.00 2.30 +ATOM 1262 NE ARG 82 39.281 55.894 57.157 1.00 2.30 +ATOM 1264 CZ ARG 82 39.511 57.178 57.307 1.00 2.30 +ATOM 1265 NH1 ARG 82 39.940 57.924 56.328 1.00 2.30 +ATOM 1268 NH2 ARG 82 39.289 57.762 58.442 1.00 2.30 +ATOM 1271 C ARG 82 40.146 50.447 57.690 1.00 2.30 +ATOM 1272 O ARG 82 41.318 50.340 57.350 1.00 2.30 +ATOM 1273 N LEU 83 39.578 49.669 58.598 1.00 2.28 +ATOM 1275 CA LEU 83 40.000 48.362 59.072 1.00 2.28 +ATOM 1277 CB LEU 83 40.820 48.507 60.378 1.00 2.28 +ATOM 1280 CG LEU 83 42.210 49.155 60.270 1.00 2.28 +ATOM 1282 CD1 LEU 83 42.837 49.215 61.665 1.00 2.28 +ATOM 1286 CD2 LEU 83 43.173 48.375 59.373 1.00 2.28 +ATOM 1290 C LEU 83 38.699 47.612 59.403 1.00 2.28 +ATOM 1291 O LEU 83 37.651 48.220 59.629 1.00 2.28 +ATOM 1292 N THR 84 38.775 46.300 59.536 1.00 2.46 +ATOM 1294 CA THR 84 37.788 45.494 60.258 1.00 2.46 +ATOM 1296 CB THR 84 37.237 44.424 59.295 1.00 2.46 +ATOM 1298 CG2 THR 84 37.900 43.048 59.360 1.00 2.46 +ATOM 1302 OG1 THR 84 35.866 44.248 59.530 1.00 2.46 +ATOM 1304 C THR 84 38.434 44.940 61.533 1.00 2.46 +ATOM 1305 O THR 84 39.656 45.077 61.654 1.00 2.46 +ATOM 1306 N PRO 85 37.700 44.328 62.487 1.00 2.33 +ATOM 1307 CD PRO 85 36.256 44.158 62.545 1.00 2.33 +ATOM 1310 CG PRO 85 35.942 43.684 63.964 1.00 2.33 +ATOM 1313 CB PRO 85 37.209 42.931 64.366 1.00 2.33 +ATOM 1316 CA PRO 85 38.317 43.724 63.666 1.00 2.33 +ATOM 1318 C PRO 85 39.540 42.867 63.325 1.00 2.33 +ATOM 1319 O PRO 85 40.626 43.189 63.779 1.00 2.33 +ATOM 1320 N ALA 86 39.421 41.943 62.365 1.00 2.39 +ATOM 1322 CA ALA 86 40.551 41.145 61.878 1.00 2.39 +ATOM 1324 CB ALA 86 40.033 40.192 60.793 1.00 2.39 +ATOM 1328 C ALA 86 41.780 41.949 61.382 1.00 2.39 +ATOM 1329 O ALA 86 42.924 41.499 61.508 1.00 2.39 +ATOM 1330 N HIS 87 41.568 43.139 60.807 1.00 2.23 +ATOM 1332 CA HIS 87 42.664 43.998 60.340 1.00 2.23 +ATOM 1334 CB HIS 87 42.190 44.942 59.233 1.00 2.23 +ATOM 1337 CG HIS 87 41.413 44.295 58.115 1.00 2.23 +ATOM 1338 ND1 HIS 87 40.314 44.877 57.488 1.00 2.23 +ATOM 1339 CE1 HIS 87 39.913 44.008 56.550 1.00 2.23 +ATOM 1341 NE2 HIS 87 40.691 42.913 56.570 1.00 2.23 +ATOM 1343 CD2 HIS 87 41.648 43.076 57.547 1.00 2.23 +ATOM 1345 C HIS 87 43.328 44.770 61.493 1.00 2.23 +ATOM 1346 O HIS 87 44.544 44.968 61.475 1.00 2.23 +ATOM 1347 N TYR 88 42.548 45.139 62.514 1.00 2.02 +ATOM 1349 CA TYR 88 43.043 45.607 63.814 1.00 2.02 +ATOM 1351 CB TYR 88 41.818 46.081 64.639 1.00 2.02 +ATOM 1354 CG TYR 88 41.845 45.885 66.148 1.00 2.02 +ATOM 1355 CD1 TYR 88 42.029 46.985 67.004 1.00 2.02 +ATOM 1357 CE1 TYR 88 42.056 46.813 68.401 1.00 2.02 +ATOM 1359 CZ TYR 88 41.882 45.526 68.951 1.00 2.02 +ATOM 1360 OH TYR 88 41.916 45.347 70.296 1.00 2.02 +ATOM 1362 CE2 TYR 88 41.651 44.428 68.099 1.00 2.02 +ATOM 1364 CD2 TYR 88 41.611 44.614 66.708 1.00 2.02 +ATOM 1366 C TYR 88 43.919 44.537 64.510 1.00 2.02 +ATOM 1367 O TYR 88 45.054 44.822 64.908 1.00 2.02 +ATOM 1368 N ASP 89 43.461 43.284 64.537 1.00 2.07 +ATOM 1370 CA ASP 89 44.201 42.168 65.120 1.00 2.07 +ATOM 1372 CB ASP 89 43.390 40.867 65.016 1.00 2.07 +ATOM 1375 CG ASP 89 42.068 40.920 65.773 1.00 2.07 +ATOM 1376 OD1 ASP 89 42.105 41.271 66.972 1.00 2.07 +ATOM 1377 OD2 ASP 89 41.033 40.598 65.149 1.00 2.07 +ATOM 1378 C ASP 89 45.541 41.955 64.405 1.00 2.07 +ATOM 1379 O ASP 89 46.591 41.868 65.046 1.00 2.07 +ATOM 1380 N ARG 90 45.532 41.934 63.064 1.00 2.12 +ATOM 1382 CA ARG 90 46.771 41.892 62.265 1.00 2.12 +ATOM 1384 CB ARG 90 46.392 42.018 60.769 1.00 2.12 +ATOM 1387 CG ARG 90 46.573 40.721 59.965 1.00 2.12 +ATOM 1390 CD ARG 90 47.267 40.969 58.606 1.00 2.12 +ATOM 1393 NE ARG 90 48.302 39.960 58.313 1.00 2.12 +ATOM 1395 CZ ARG 90 49.379 39.716 59.041 1.00 2.12 +ATOM 1396 NH1 ARG 90 49.742 40.433 60.060 1.00 2.12 +ATOM 1399 NH2 ARG 90 50.122 38.685 58.772 1.00 2.12 +ATOM 1402 C ARG 90 47.757 43.006 62.660 1.00 2.12 +ATOM 1403 O ARG 90 48.880 42.739 63.110 1.00 2.12 +ATOM 1404 N TYR 91 47.275 44.253 62.590 1.00 1.90 +ATOM 1406 CA TYR 91 48.046 45.461 62.898 1.00 1.90 +ATOM 1408 CB TYR 91 47.075 46.675 62.910 1.00 1.90 +ATOM 1411 CG TYR 91 47.561 48.014 63.482 1.00 1.90 +ATOM 1412 CD1 TYR 91 47.490 49.166 62.680 1.00 1.90 +ATOM 1414 CE1 TYR 91 47.939 50.412 63.164 1.00 1.90 +ATOM 1416 CZ TYR 91 48.430 50.523 64.484 1.00 1.90 +ATOM 1417 OH TYR 91 48.871 51.710 64.970 1.00 1.90 +ATOM 1419 CE2 TYR 91 48.425 49.396 65.323 1.00 1.90 +ATOM 1421 CD2 TYR 91 47.962 48.165 64.831 1.00 1.90 +ATOM 1423 C TYR 91 48.762 45.373 64.236 1.00 1.90 +ATOM 1424 O TYR 91 49.928 45.777 64.329 1.00 1.90 +ATOM 1425 N VAL 92 48.048 44.913 65.272 1.00 1.93 +ATOM 1427 CA VAL 92 48.570 44.894 66.639 1.00 1.93 +ATOM 1429 CB VAL 92 47.453 45.054 67.697 1.00 1.93 +ATOM 1431 CG1 VAL 92 46.591 43.808 67.906 1.00 1.93 +ATOM 1435 CG2 VAL 92 48.026 45.486 69.054 1.00 1.93 +ATOM 1439 C VAL 92 49.468 43.678 66.882 1.00 1.93 +ATOM 1440 O VAL 92 50.362 43.762 67.715 1.00 1.93 +ATOM 1441 N ASN 93 49.328 42.606 66.094 1.00 2.06 +ATOM 1443 CA ASN 93 50.227 41.450 66.153 1.00 2.06 +ATOM 1445 CB ASN 93 49.404 40.158 65.978 1.00 2.06 +ATOM 1448 CG ASN 93 48.554 39.840 67.200 1.00 2.06 +ATOM 1449 OD1 ASN 93 48.988 39.205 68.146 1.00 2.06 +ATOM 1450 ND2 ASN 93 47.311 40.252 67.211 1.00 2.06 +ATOM 1453 C ASN 93 51.436 41.530 65.208 1.00 2.06 +ATOM 1454 O ASN 93 52.193 40.566 65.145 1.00 2.06 +ATOM 1455 N LYS 94 51.612 42.674 64.526 1.00 1.96 +ATOM 1457 CA LYS 94 52.856 43.332 64.038 1.00 1.96 +ATOM 1459 CB LYS 94 53.151 44.509 64.984 1.00 1.96 +ATOM 1462 CG LYS 94 54.105 45.518 64.330 1.00 1.96 +ATOM 1465 CD LYS 94 54.179 46.866 65.066 1.00 1.96 +ATOM 1468 CE LYS 94 52.832 47.584 65.275 1.00 1.96 +ATOM 1471 NZ LYS 94 52.061 47.727 64.017 1.00 1.96 +ATOM 1475 C LYS 94 54.104 42.476 63.822 1.00 1.96 +ATOM 1476 O LYS 94 54.557 42.378 62.684 1.00 1.96 +ATOM 1477 N ASP 95 54.644 41.845 64.853 1.00 2.40 +ATOM 1479 CA ASP 95 55.710 40.845 64.757 1.00 2.40 +ATOM 1481 CB ASP 95 55.961 40.232 66.145 1.00 2.40 +ATOM 1484 CG ASP 95 56.518 41.250 67.151 1.00 2.40 +ATOM 1485 OD1 ASP 95 55.847 42.292 67.350 1.00 2.40 +ATOM 1486 OD2 ASP 95 57.601 40.977 67.710 1.00 2.40 +ATOM 1487 C ASP 95 55.433 39.753 63.706 1.00 2.40 +ATOM 1488 O ASP 95 56.330 39.296 63.000 1.00 2.40 +ATOM 1489 N MET 96 54.157 39.413 63.530 1.00 2.60 +ATOM 1491 CA MET 96 53.611 38.485 62.542 1.00 2.60 +ATOM 1493 CB MET 96 52.557 37.597 63.237 1.00 2.60 +ATOM 1496 CG MET 96 53.050 36.795 64.451 1.00 2.60 +ATOM 1499 SD MET 96 54.155 35.397 64.093 1.00 2.60 +ATOM 1500 CE MET 96 55.774 36.165 64.370 1.00 2.60 +ATOM 1504 C MET 96 53.012 39.220 61.340 1.00 2.60 +ATOM 1505 O MET 96 51.973 38.813 60.812 1.00 2.60 +ATOM 1506 N SER 97 53.617 40.329 60.913 1.00 2.32 +ATOM 1508 CA SER 97 53.327 40.951 59.613 1.00 2.32 +ATOM 1510 CB SER 97 54.282 42.114 59.326 1.00 2.32 +ATOM 1513 OG SER 97 54.040 43.175 60.225 1.00 2.32 +ATOM 1515 C SER 97 53.396 39.925 58.482 1.00 2.32 +ATOM 1516 O SER 97 53.992 38.849 58.618 1.00 2.32 +ATOM 1517 N ILE 98 52.822 40.257 57.328 1.00 3.75 +ATOM 1519 CA ILE 98 53.263 39.600 56.094 1.00 3.75 +ATOM 1521 CB ILE 98 52.526 40.161 54.855 1.00 3.75 +ATOM 1523 CG2 ILE 98 52.882 39.322 53.613 1.00 3.75 +ATOM 1527 CG1 ILE 98 50.987 40.239 55.017 1.00 3.75 +ATOM 1530 CD1 ILE 98 50.272 38.898 55.239 1.00 3.75 +ATOM 1534 C ILE 98 54.775 39.797 55.995 1.00 3.75 +ATOM 1535 O ILE 98 55.251 40.926 56.065 1.00 3.75 +ATOM 1536 N GLN 99 55.550 38.722 55.828 1.00 3.20 +ATOM 1538 CA GLN 99 56.979 38.830 55.507 1.00 3.20 +ATOM 1540 CB GLN 99 57.736 37.549 55.887 1.00 3.20 +ATOM 1543 CG GLN 99 57.714 37.318 57.410 1.00 3.20 +ATOM 1546 CD GLN 99 58.675 36.224 57.871 1.00 3.20 +ATOM 1547 OE1 GLN 99 59.422 35.639 57.105 1.00 3.20 +ATOM 1548 NE2 GLN 99 58.711 35.927 59.151 1.00 3.20 +ATOM 1551 C GLN 99 57.157 39.263 54.035 1.00 3.20 +ATOM 1552 O GLN 99 57.715 38.524 53.228 1.00 3.20 +ATOM 1553 N GLU 100 56.567 40.404 53.657 1.00 3.65 +ATOM 1555 CA GLU 100 56.464 40.857 52.270 1.00 3.65 +ATOM 1557 CB GLU 100 55.278 41.831 52.034 1.00 3.65 +ATOM 1560 CG GLU 100 54.982 42.970 53.033 1.00 3.65 +ATOM 1563 CD GLU 100 55.784 44.256 52.782 1.00 3.65 +ATOM 1564 OE1 GLU 100 56.901 44.341 53.337 1.00 3.65 +ATOM 1565 OE2 GLU 100 55.297 45.143 52.039 1.00 3.65 +ATOM 1566 C GLU 100 57.789 41.366 51.690 1.00 3.65 +ATOM 1567 O GLU 100 58.251 40.857 50.663 1.00 3.65 +ATOM 1568 N LEU 101 58.455 42.299 52.367 1.00 3.68 +ATOM 1570 CA LEU 101 59.796 42.776 52.050 1.00 3.68 +ATOM 1572 CB LEU 101 60.193 43.921 53.012 1.00 3.68 +ATOM 1575 CG LEU 101 60.597 43.515 54.451 1.00 3.68 +ATOM 1577 CD1 LEU 101 61.006 44.751 55.256 1.00 3.68 +ATOM 1581 CD2 LEU 101 59.499 42.804 55.243 1.00 3.68 +ATOM 1585 C LEU 101 60.852 41.668 52.072 1.00 3.68 +ATOM 1586 O LEU 101 60.728 40.651 52.750 1.00 3.68 +ATOM 1587 N ALA 102 61.946 41.870 51.351 1.00 4.35 +ATOM 1589 CA ALA 102 63.227 41.339 51.785 1.00 4.35 +ATOM 1591 CB ALA 102 64.121 41.243 50.543 1.00 4.35 +ATOM 1595 C ALA 102 63.825 42.320 52.801 1.00 4.35 +ATOM 1596 O ALA 102 63.712 43.534 52.627 1.00 4.35 +ATOM 1597 N VAL 103 64.491 41.839 53.849 1.00 5.02 +ATOM 1599 CA VAL 103 65.279 42.747 54.692 1.00 5.02 +ATOM 1601 CB VAL 103 65.782 42.078 55.988 1.00 5.02 +ATOM 1603 CG1 VAL 103 66.321 43.147 56.952 1.00 5.02 +ATOM 1607 CG2 VAL 103 64.678 41.326 56.743 1.00 5.02 +ATOM 1611 C VAL 103 66.443 43.269 53.855 1.00 5.02 +ATOM 1612 O VAL 103 67.251 42.479 53.367 1.00 5.02 +ATOM 1613 N LEU 104 66.518 44.591 53.679 1.00 6.77 +ATOM 1615 CA LEU 104 67.476 45.277 52.795 1.00 6.77 +ATOM 1617 CB LEU 104 67.216 46.799 52.847 1.00 6.77 +ATOM 1620 CG LEU 104 65.751 47.250 52.649 1.00 6.77 +ATOM 1622 CD1 LEU 104 65.671 48.775 52.684 1.00 6.77 +ATOM 1626 CD2 LEU 104 65.143 46.748 51.342 1.00 6.77 +ATOM 1630 C LEU 104 68.957 44.966 53.078 1.00 6.77 +ATOM 1631 O LEU 104 69.814 45.178 52.226 1.00 6.77 +ATOM 1632 N VAL 105 69.245 44.401 54.251 1.00 7.30 +ATOM 1634 CA VAL 105 70.446 43.616 54.523 1.00 7.30 +ATOM 1636 CB VAL 105 71.440 44.402 55.404 1.00 7.30 +ATOM 1638 CG1 VAL 105 70.889 44.814 56.776 1.00 7.30 +ATOM 1642 CG2 VAL 105 72.743 43.621 55.607 1.00 7.30 +ATOM 1646 C VAL 105 70.020 42.276 55.117 1.00 7.30 +ATOM 1647 O VAL 105 69.187 42.237 56.018 1.00 7.30 +ATOM 1648 N SER 106 70.552 41.192 54.544 1.00 6.50 +ATOM 1650 CA SER 106 70.257 39.753 54.759 1.00 6.50 +ATOM 1652 CB SER 106 69.529 39.397 56.068 1.00 6.50 +ATOM 1655 OG SER 106 70.147 40.002 57.180 1.00 6.50 +ATOM 1657 C SER 106 69.434 39.169 53.605 1.00 6.50 +ATOM 1658 O SER 106 69.550 37.986 53.297 1.00 6.50 +ATOM 1659 N GLY 107 68.595 39.990 52.963 1.00 5.43 +ATOM 1661 CA GLY 107 67.806 39.658 51.770 1.00 5.43 +ATOM 1664 C GLY 107 66.590 38.753 51.987 1.00 5.43 +ATOM 1665 O GLY 107 65.820 38.528 51.057 1.00 5.43 +ATOM 1666 N GLN 108 66.408 38.224 53.195 1.00 4.58 +ATOM 1668 CA GLN 108 65.388 37.216 53.475 1.00 4.58 +ATOM 1670 CB GLN 108 65.810 36.371 54.694 1.00 4.58 +ATOM 1673 CG GLN 108 67.202 35.729 54.556 1.00 4.58 +ATOM 1676 CD GLN 108 67.404 35.084 53.188 1.00 4.58 +ATOM 1677 OE1 GLN 108 66.642 34.237 52.758 1.00 4.58 +ATOM 1678 NE2 GLN 108 68.375 35.518 52.418 1.00 4.58 +ATOM 1681 C GLN 108 64.005 37.818 53.706 1.00 4.58 +ATOM 1682 O GLN 108 63.866 38.975 54.108 1.00 4.58 +ATOM 1683 N LYS 109 62.987 36.983 53.498 1.00 4.38 +ATOM 1685 CA LYS 109 61.640 37.182 54.042 1.00 4.38 +ATOM 1687 CB LYS 109 60.603 36.470 53.152 1.00 4.38 +ATOM 1690 CG LYS 109 60.235 37.248 51.873 1.00 4.38 +ATOM 1693 CD LYS 109 61.337 37.362 50.808 1.00 4.38 +ATOM 1696 CE LYS 109 60.866 38.146 49.574 1.00 4.38 +ATOM 1699 NZ LYS 109 60.549 39.551 49.913 1.00 4.38 +ATOM 1703 C LYS 109 61.588 36.657 55.491 1.00 4.38 +ATOM 1704 O LYS 109 62.531 36.149 56.097 1.00 4.38 +TER +END +PFRMAT TS +TARGET T0759 +MODEL 3 +PARENT 1lm7_A 1lm5_A 1lm5_B +ATOM 1 N MET 1 60.664 43.203 67.833 1.00 10.08 +ATOM 2 CA MET 1 62.028 43.625 68.134 1.00 10.08 +ATOM 4 CB MET 1 63.013 42.679 67.411 1.00 10.08 +ATOM 7 CG MET 1 64.226 42.259 68.253 1.00 10.08 +ATOM 10 SD MET 1 65.461 43.539 68.609 1.00 10.08 +ATOM 11 CE MET 1 66.716 42.536 69.447 1.00 10.08 +ATOM 15 C MET 1 62.264 45.109 67.807 1.00 10.08 +ATOM 16 O MET 1 61.645 45.689 66.913 1.00 10.08 +ATOM 17 N GLY 2 63.246 45.730 68.465 1.00 9.32 +ATOM 19 CA GLY 2 63.778 47.028 68.036 1.00 9.32 +ATOM 22 C GLY 2 64.266 46.986 66.584 1.00 9.32 +ATOM 23 O GLY 2 63.858 47.806 65.771 1.00 9.32 +ATOM 24 N HIS 3 64.985 45.926 66.205 1.00 7.63 +ATOM 26 CA HIS 3 65.353 45.623 64.813 1.00 7.63 +ATOM 28 CB HIS 3 66.832 45.206 64.754 1.00 7.63 +ATOM 31 CG HIS 3 67.711 46.423 64.901 1.00 7.63 +ATOM 32 ND1 HIS 3 67.948 47.117 66.091 1.00 7.63 +ATOM 33 CE1 HIS 3 68.499 48.286 65.727 1.00 7.63 +ATOM 35 NE2 HIS 3 68.624 48.358 64.392 1.00 7.63 +ATOM 37 CD2 HIS 3 68.141 47.187 63.856 1.00 7.63 +ATOM 39 C HIS 3 64.364 44.668 64.129 1.00 7.63 +ATOM 40 O HIS 3 64.718 43.865 63.269 1.00 7.63 +ATOM 41 N HIS 4 63.090 44.816 64.490 1.00 7.20 +ATOM 43 CA HIS 4 61.955 44.644 63.588 1.00 7.20 +ATOM 45 CB HIS 4 60.945 43.631 64.154 1.00 7.20 +ATOM 48 CG HIS 4 59.988 43.044 63.137 1.00 7.20 +ATOM 49 ND1 HIS 4 58.865 42.273 63.445 1.00 7.20 +ATOM 50 CE1 HIS 4 58.324 41.909 62.274 1.00 7.20 +ATOM 52 NE2 HIS 4 59.042 42.403 61.253 1.00 7.20 +ATOM 54 CD2 HIS 4 60.092 43.119 61.776 1.00 7.20 +ATOM 56 C HIS 4 61.329 46.006 63.285 1.00 7.20 +ATOM 57 O HIS 4 60.908 46.210 62.152 1.00 7.20 +ATOM 58 N HIS 5 61.401 46.985 64.203 1.00 5.58 +ATOM 60 CA HIS 5 61.139 48.372 63.813 1.00 5.58 +ATOM 62 CB HIS 5 60.971 49.350 64.992 1.00 5.58 +ATOM 65 CG HIS 5 60.700 50.748 64.473 1.00 5.58 +ATOM 66 ND1 HIS 5 61.648 51.774 64.406 1.00 5.58 +ATOM 67 CE1 HIS 5 61.216 52.621 63.462 1.00 5.58 +ATOM 69 NE2 HIS 5 60.032 52.218 62.974 1.00 5.58 +ATOM 71 CD2 HIS 5 59.688 51.046 63.606 1.00 5.58 +ATOM 73 C HIS 5 62.138 48.915 62.772 1.00 5.58 +ATOM 74 O HIS 5 61.751 49.549 61.785 1.00 5.58 +ATOM 75 N HIS 6 63.425 48.625 62.963 1.00 5.47 +ATOM 77 CA HIS 6 64.522 49.206 62.187 1.00 5.47 +ATOM 79 CB HIS 6 65.525 49.873 63.150 1.00 5.47 +ATOM 82 CG HIS 6 66.498 50.833 62.502 1.00 5.47 +ATOM 83 ND1 HIS 6 67.808 51.082 62.933 1.00 5.47 +ATOM 84 CE1 HIS 6 68.274 52.055 62.130 1.00 5.47 +ATOM 86 NE2 HIS 6 67.338 52.434 61.242 1.00 5.47 +ATOM 88 CD2 HIS 6 66.217 51.671 61.461 1.00 5.47 +ATOM 90 C HIS 6 65.135 48.204 61.195 1.00 5.47 +ATOM 91 O HIS 6 66.320 47.888 61.314 1.00 5.47 +ATOM 92 N HIS 7 64.340 47.623 60.273 1.00 5.27 +ATOM 94 CA HIS 7 64.827 46.500 59.442 1.00 5.27 +ATOM 96 CB HIS 7 64.852 45.246 60.351 1.00 5.27 +ATOM 99 CG HIS 7 65.439 43.987 59.754 1.00 5.27 +ATOM 100 ND1 HIS 7 66.307 43.908 58.665 1.00 5.27 +ATOM 101 CE1 HIS 7 66.608 42.610 58.525 1.00 5.27 +ATOM 103 NE2 HIS 7 65.985 41.878 59.461 1.00 5.27 +ATOM 105 CD2 HIS 7 65.244 42.731 60.251 1.00 5.27 +ATOM 107 C HIS 7 64.145 46.144 58.114 1.00 5.27 +ATOM 108 O HIS 7 64.685 46.419 57.043 1.00 5.27 +ATOM 109 N HIS 8 62.936 45.590 58.147 1.00 4.00 +ATOM 111 CA HIS 8 61.998 45.970 57.096 1.00 4.00 +ATOM 113 CB HIS 8 60.767 45.035 57.088 1.00 4.00 +ATOM 116 CG HIS 8 59.805 45.082 58.263 1.00 4.00 +ATOM 117 ND1 HIS 8 58.610 44.355 58.332 1.00 4.00 +ATOM 118 CE1 HIS 8 58.018 44.723 59.479 1.00 4.00 +ATOM 120 NE2 HIS 8 58.797 45.579 60.155 1.00 4.00 +ATOM 122 CD2 HIS 8 59.916 45.831 59.398 1.00 4.00 +ATOM 124 C HIS 8 61.644 47.451 57.319 1.00 4.00 +ATOM 125 O HIS 8 62.044 48.058 58.320 1.00 4.00 +ATOM 126 N SER 9 60.828 48.023 56.448 1.00 2.85 +ATOM 128 CA SER 9 60.033 49.150 56.898 1.00 2.85 +ATOM 130 CB SER 9 59.905 50.184 55.769 1.00 2.85 +ATOM 133 OG SER 9 59.252 49.716 54.605 1.00 2.85 +ATOM 135 C SER 9 58.744 48.645 57.535 1.00 2.85 +ATOM 136 O SER 9 58.158 47.659 57.094 1.00 2.85 +ATOM 137 N HIS 10 58.395 49.206 58.695 1.00 2.56 +ATOM 139 CA HIS 10 57.413 48.621 59.613 1.00 2.56 +ATOM 141 CB HIS 10 57.829 48.959 61.054 1.00 2.56 +ATOM 144 CG HIS 10 57.166 48.091 62.090 1.00 2.56 +ATOM 145 ND1 HIS 10 57.765 47.003 62.726 1.00 2.56 +ATOM 146 CE1 HIS 10 56.829 46.485 63.536 1.00 2.56 +ATOM 148 NE2 HIS 10 55.687 47.187 63.434 1.00 2.56 +ATOM 150 CD2 HIS 10 55.882 48.204 62.529 1.00 2.56 +ATOM 152 C HIS 10 56.004 49.078 59.228 1.00 2.56 +ATOM 153 O HIS 10 55.375 49.880 59.913 1.00 2.56 +ATOM 154 N MET 11 55.563 48.580 58.077 1.00 3.01 +ATOM 156 CA MET 11 54.424 49.004 57.252 1.00 3.01 +ATOM 158 CB MET 11 54.187 47.910 56.179 1.00 3.01 +ATOM 161 CG MET 11 55.427 47.347 55.473 1.00 3.01 +ATOM 164 SD MET 11 55.091 46.027 54.275 1.00 3.01 +ATOM 165 CE MET 11 56.783 45.799 53.669 1.00 3.01 +ATOM 169 C MET 11 53.070 49.222 57.893 1.00 3.01 +ATOM 170 O MET 11 52.189 49.768 57.223 1.00 3.01 +ATOM 171 N VAL 12 52.921 48.668 59.100 1.00 2.59 +ATOM 173 CA VAL 12 51.728 48.043 59.665 1.00 2.59 +ATOM 175 CB VAL 12 51.597 46.597 59.129 1.00 2.59 +ATOM 177 CG1 VAL 12 52.805 45.683 59.400 1.00 2.59 +ATOM 181 CG2 VAL 12 50.347 45.891 59.654 1.00 2.59 +ATOM 185 C VAL 12 51.818 48.092 61.176 1.00 2.59 +ATOM 186 O VAL 12 52.807 47.676 61.780 1.00 2.59 +ATOM 187 N VAL 13 50.756 48.577 61.805 1.00 2.70 +ATOM 189 CA VAL 13 50.597 48.424 63.251 1.00 2.70 +ATOM 191 CB VAL 13 49.978 49.703 63.851 1.00 2.70 +ATOM 193 CG1 VAL 13 49.741 49.602 65.365 1.00 2.70 +ATOM 197 CG2 VAL 13 50.906 50.906 63.601 1.00 2.70 +ATOM 201 C VAL 13 49.739 47.188 63.480 1.00 2.70 +ATOM 202 O VAL 13 48.937 46.819 62.626 1.00 2.70 +ATOM 203 N ILE 14 49.901 46.533 64.623 1.00 2.85 +ATOM 205 CA ILE 14 49.028 45.434 65.026 1.00 2.85 +ATOM 207 CB ILE 14 49.851 44.181 65.411 1.00 2.85 +ATOM 209 CG2 ILE 14 48.915 43.031 65.832 1.00 2.85 +ATOM 213 CG1 ILE 14 50.823 43.703 64.305 1.00 2.85 +ATOM 216 CD1 ILE 14 50.181 43.340 62.960 1.00 2.85 +ATOM 220 C ILE 14 48.190 45.926 66.203 1.00 2.85 +ATOM 221 O ILE 14 48.730 46.291 67.244 1.00 2.85 +ATOM 222 N HIS 15 46.874 45.948 66.024 1.00 2.85 +ATOM 224 CA HIS 15 45.881 46.159 67.073 1.00 2.85 +ATOM 226 CB HIS 15 44.520 46.214 66.347 1.00 2.85 +ATOM 229 CG HIS 15 43.364 46.805 67.107 1.00 2.85 +ATOM 230 ND1 HIS 15 42.131 47.138 66.540 1.00 2.85 +ATOM 231 CE1 HIS 15 41.327 47.453 67.568 1.00 2.85 +ATOM 233 NE2 HIS 15 41.990 47.343 68.728 1.00 2.85 +ATOM 235 CD2 HIS 15 43.274 46.949 68.456 1.00 2.85 +ATOM 237 C HIS 15 46.006 45.041 68.117 1.00 2.85 +ATOM 238 O HIS 15 45.738 43.890 67.755 1.00 2.85 +ATOM 239 N PRO 16 46.467 45.334 69.355 1.00 3.19 +ATOM 240 CD PRO 16 46.758 46.654 69.906 1.00 3.19 +ATOM 243 CG PRO 16 46.886 46.457 71.414 1.00 3.19 +ATOM 246 CB PRO 16 47.438 45.039 71.532 1.00 3.19 +ATOM 249 CA PRO 16 46.832 44.304 70.331 1.00 3.19 +ATOM 251 C PRO 16 45.646 43.423 70.715 1.00 3.19 +ATOM 252 O PRO 16 45.838 42.235 70.952 1.00 3.19 +ATOM 253 N ASP 17 44.432 43.977 70.728 1.00 3.44 +ATOM 255 CA ASP 17 43.234 43.267 71.152 1.00 3.44 +ATOM 257 CB ASP 17 42.207 44.191 71.863 1.00 3.44 +ATOM 260 CG ASP 17 42.192 45.673 71.456 1.00 3.44 +ATOM 261 OD1 ASP 17 41.116 46.177 71.064 1.00 3.44 +ATOM 262 OD2 ASP 17 43.268 46.316 71.488 1.00 3.44 +ATOM 263 C ASP 17 42.631 42.286 70.120 1.00 3.44 +ATOM 264 O ASP 17 42.463 41.110 70.451 1.00 3.44 +ATOM 265 N PRO 18 42.355 42.667 68.859 1.00 3.61 +ATOM 266 CD PRO 18 42.110 44.013 68.402 1.00 3.61 +ATOM 269 CG PRO 18 41.029 43.879 67.335 1.00 3.61 +ATOM 272 CB PRO 18 41.440 42.585 66.651 1.00 3.61 +ATOM 275 CA PRO 18 42.001 41.730 67.794 1.00 3.61 +ATOM 277 C PRO 18 43.157 40.875 67.270 1.00 3.61 +ATOM 278 O PRO 18 42.904 39.888 66.575 1.00 3.61 +ATOM 279 N GLY 19 44.411 41.290 67.487 1.00 3.62 +ATOM 281 CA GLY 19 45.570 40.777 66.752 1.00 3.62 +ATOM 284 C GLY 19 45.402 40.952 65.250 1.00 3.62 +ATOM 285 O GLY 19 45.412 39.979 64.493 1.00 3.62 +ATOM 286 N ARG 20 45.150 42.185 64.801 1.00 3.59 +ATOM 288 CA ARG 20 44.930 42.486 63.379 1.00 3.59 +ATOM 290 CB ARG 20 43.473 42.894 63.103 1.00 3.59 +ATOM 293 CG ARG 20 42.493 41.723 63.212 1.00 3.59 +ATOM 296 CD ARG 20 42.738 40.644 62.144 1.00 3.59 +ATOM 299 NE ARG 20 41.859 39.490 62.372 1.00 3.59 +ATOM 301 CZ ARG 20 41.993 38.613 63.351 1.00 3.59 +ATOM 302 NH1 ARG 20 43.044 38.532 64.112 1.00 3.59 +ATOM 305 NH2 ARG 20 41.030 37.782 63.605 1.00 3.59 +ATOM 308 C ARG 20 45.854 43.572 62.900 1.00 3.59 +ATOM 309 O ARG 20 46.035 44.592 63.552 1.00 3.59 +ATOM 310 N GLU 21 46.390 43.349 61.714 1.00 2.85 +ATOM 312 CA GLU 21 47.000 44.403 60.933 1.00 2.85 +ATOM 314 CB GLU 21 47.521 43.825 59.600 1.00 2.85 +ATOM 317 CG GLU 21 46.614 42.823 58.855 1.00 2.85 +ATOM 320 CD GLU 21 45.389 43.465 58.203 1.00 2.85 +ATOM 321 OE1 GLU 21 44.237 43.021 58.392 1.00 2.85 +ATOM 322 OE2 GLU 21 45.529 44.381 57.367 1.00 2.85 +ATOM 323 C GLU 21 46.058 45.597 60.740 1.00 2.85 +ATOM 324 O GLU 21 44.849 45.449 60.560 1.00 2.85 +ATOM 325 N LEU 22 46.654 46.784 60.768 1.00 2.31 +ATOM 327 CA LEU 22 46.081 48.087 60.478 1.00 2.31 +ATOM 329 CB LEU 22 45.696 48.820 61.777 1.00 2.31 +ATOM 332 CG LEU 22 44.480 48.255 62.532 1.00 2.31 +ATOM 334 CD1 LEU 22 44.204 49.134 63.754 1.00 2.31 +ATOM 338 CD2 LEU 22 43.211 48.230 61.673 1.00 2.31 +ATOM 342 C LEU 22 47.114 48.894 59.702 1.00 2.31 +ATOM 343 O LEU 22 48.311 48.822 60.016 1.00 2.31 +ATOM 344 N SER 23 46.666 49.685 58.717 1.00 2.10 +ATOM 346 CA SER 23 47.560 50.695 58.162 1.00 2.10 +ATOM 348 CB SER 23 47.026 51.451 56.931 1.00 2.10 +ATOM 351 OG SER 23 46.505 52.728 57.253 1.00 2.10 +ATOM 353 C SER 23 47.952 51.677 59.263 1.00 2.10 +ATOM 354 O SER 23 47.189 51.844 60.223 1.00 2.10 +ATOM 355 N PRO 24 49.085 52.379 59.116 1.00 2.16 +ATOM 356 CD PRO 24 50.116 52.209 58.105 1.00 2.16 +ATOM 359 CG PRO 24 51.335 52.955 58.644 1.00 2.16 +ATOM 362 CB PRO 24 50.702 54.084 59.458 1.00 2.16 +ATOM 365 CA PRO 24 49.433 53.439 60.032 1.00 2.16 +ATOM 367 C PRO 24 48.303 54.463 60.251 1.00 2.16 +ATOM 368 O PRO 24 48.036 54.839 61.393 1.00 2.16 +ATOM 369 N GLU 25 47.625 54.899 59.181 1.00 1.93 +ATOM 371 CA GLU 25 46.490 55.825 59.280 1.00 1.93 +ATOM 373 CB GLU 25 46.077 56.324 57.882 1.00 1.93 +ATOM 376 CG GLU 25 44.920 57.350 57.846 1.00 1.93 +ATOM 379 CD GLU 25 45.321 58.801 58.169 1.00 1.93 +ATOM 380 OE1 GLU 25 46.110 59.376 57.383 1.00 1.93 +ATOM 381 OE2 GLU 25 44.770 59.416 59.104 1.00 1.93 +ATOM 382 C GLU 25 45.301 55.216 60.038 1.00 1.93 +ATOM 383 O GLU 25 44.715 55.874 60.896 1.00 1.93 +ATOM 384 N GLU 26 44.951 53.951 59.793 1.00 1.95 +ATOM 386 CA GLU 26 43.856 53.340 60.556 1.00 1.95 +ATOM 388 CB GLU 26 43.419 51.966 60.037 1.00 1.95 +ATOM 391 CG GLU 26 42.689 52.018 58.693 1.00 1.95 +ATOM 394 CD GLU 26 43.659 51.729 57.561 1.00 1.95 +ATOM 395 OE1 GLU 26 44.019 52.652 56.797 1.00 1.95 +ATOM 396 OE2 GLU 26 44.087 50.560 57.451 1.00 1.95 +ATOM 397 C GLU 26 44.162 53.203 62.047 1.00 1.95 +ATOM 398 O GLU 26 43.275 53.397 62.876 1.00 1.95 +ATOM 399 N ALA 27 45.404 52.875 62.396 1.00 1.98 +ATOM 401 CA ALA 27 45.835 52.770 63.783 1.00 1.98 +ATOM 403 CB ALA 27 47.194 52.072 63.797 1.00 1.98 +ATOM 407 C ALA 27 45.808 54.131 64.516 1.00 1.98 +ATOM 408 O ALA 27 45.378 54.226 65.685 1.00 1.98 +ATOM 409 N HIS 28 46.219 55.204 63.821 1.00 1.93 +ATOM 411 CA HIS 28 46.123 56.551 64.398 1.00 1.93 +ATOM 413 CB HIS 28 46.998 57.567 63.641 1.00 1.93 +ATOM 416 CG HIS 28 46.307 58.807 63.136 1.00 1.93 +ATOM 417 ND1 HIS 28 46.391 60.097 63.672 1.00 1.93 +ATOM 418 CE1 HIS 28 45.757 60.897 62.798 1.00 1.93 +ATOM 420 NE2 HIS 28 45.292 60.180 61.761 1.00 1.93 +ATOM 422 CD2 HIS 28 45.619 58.869 61.967 1.00 1.93 +ATOM 424 C HIS 28 44.672 56.980 64.592 1.00 1.93 +ATOM 425 O HIS 28 44.293 57.398 65.684 1.00 1.93 +ATOM 426 N ARG 29 43.800 56.711 63.615 1.00 2.20 +ATOM 428 CA ARG 29 42.354 56.903 63.773 1.00 2.20 +ATOM 430 CB ARG 29 41.668 56.687 62.409 1.00 2.20 +ATOM 433 CG ARG 29 40.131 56.789 62.430 1.00 2.20 +ATOM 436 CD ARG 29 39.604 58.119 62.998 1.00 2.20 +ATOM 439 NE ARG 29 38.140 58.088 63.194 1.00 2.20 +ATOM 441 CZ ARG 29 37.482 57.714 64.281 1.00 2.20 +ATOM 442 NH1 ARG 29 38.061 57.238 65.349 1.00 2.20 +ATOM 445 NH2 ARG 29 36.180 57.813 64.316 1.00 2.20 +ATOM 448 C ARG 29 41.742 56.049 64.885 1.00 2.20 +ATOM 449 O ARG 29 40.719 56.469 65.431 1.00 2.20 +ATOM 450 N ALA 30 42.315 54.898 65.247 1.00 2.38 +ATOM 452 CA ALA 30 41.779 54.084 66.344 1.00 2.38 +ATOM 454 CB ALA 30 42.128 52.620 66.054 1.00 2.38 +ATOM 458 C ALA 30 42.327 54.543 67.706 1.00 2.38 +ATOM 459 O ALA 30 41.814 54.134 68.743 1.00 2.38 +ATOM 460 N GLY 31 43.349 55.408 67.707 1.00 2.83 +ATOM 462 CA GLY 31 43.973 55.922 68.925 1.00 2.83 +ATOM 465 C GLY 31 45.052 54.995 69.482 1.00 2.83 +ATOM 466 O GLY 31 45.514 55.164 70.607 1.00 2.83 +ATOM 467 N LEU 32 45.451 54.019 68.669 1.00 2.44 +ATOM 469 CA LEU 32 46.411 52.975 68.991 1.00 2.44 +ATOM 471 CB LEU 32 45.953 51.676 68.304 1.00 2.44 +ATOM 474 CG LEU 32 44.503 51.253 68.596 1.00 2.44 +ATOM 476 CD1 LEU 32 44.183 50.035 67.739 1.00 2.44 +ATOM 480 CD2 LEU 32 44.269 50.918 70.067 1.00 2.44 +ATOM 484 C LEU 32 47.822 53.313 68.511 1.00 2.44 +ATOM 485 O LEU 32 48.773 52.613 68.860 1.00 2.44 +ATOM 486 N ILE 33 47.966 54.377 67.719 1.00 2.20 +ATOM 488 CA ILE 33 49.279 55.027 67.564 1.00 2.20 +ATOM 490 CB ILE 33 50.010 54.448 66.323 1.00 2.20 +ATOM 492 CG2 ILE 33 49.173 54.625 65.051 1.00 2.20 +ATOM 496 CG1 ILE 33 51.431 55.011 66.135 1.00 2.20 +ATOM 499 CD1 ILE 33 52.225 54.261 65.048 1.00 2.20 +ATOM 503 C ILE 33 49.094 56.550 67.536 1.00 2.20 +ATOM 504 O ILE 33 48.173 57.053 66.899 1.00 2.20 +ATOM 505 N ASP 34 49.927 57.293 68.267 1.00 2.38 +ATOM 507 CA ASP 34 49.832 58.759 68.304 1.00 2.38 +ATOM 509 CB ASP 34 50.723 59.351 69.427 1.00 2.38 +ATOM 512 CG ASP 34 51.687 60.462 68.978 1.00 2.38 +ATOM 513 OD1 ASP 34 51.272 61.638 68.828 1.00 2.38 +ATOM 514 OD2 ASP 34 52.856 60.128 68.700 1.00 2.38 +ATOM 515 C ASP 34 50.097 59.390 66.935 1.00 2.38 +ATOM 516 O ASP 34 50.861 58.843 66.142 1.00 2.38 +ATOM 517 N TRP 35 49.505 60.557 66.661 1.00 2.18 +ATOM 519 CA TRP 35 49.629 61.197 65.350 1.00 2.18 +ATOM 521 CB TRP 35 48.672 62.397 65.227 1.00 2.18 +ATOM 524 CG TRP 35 49.246 63.782 65.237 1.00 2.18 +ATOM 525 CD1 TRP 35 49.735 64.421 66.322 1.00 2.18 +ATOM 527 NE1 TRP 35 50.102 65.708 65.974 1.00 2.18 +ATOM 529 CE2 TRP 35 49.842 65.970 64.646 1.00 2.18 +ATOM 530 CZ2 TRP 35 49.987 67.115 63.847 1.00 2.18 +ATOM 532 CH2 TRP 35 49.624 67.057 62.489 1.00 2.18 +ATOM 534 CZ3 TRP 35 49.155 65.848 61.944 1.00 2.18 +ATOM 536 CE3 TRP 35 49.012 64.705 62.757 1.00 2.18 +ATOM 538 CD2 TRP 35 49.334 64.739 64.133 1.00 2.18 +ATOM 539 C TRP 35 51.096 61.532 64.956 1.00 2.18 +ATOM 540 O TRP 35 51.503 61.486 63.785 1.00 2.18 +ATOM 541 N ASN 36 51.944 61.794 65.952 1.00 2.49 +ATOM 543 CA ASN 36 53.368 62.012 65.720 1.00 2.49 +ATOM 545 CB ASN 36 53.979 62.777 66.898 1.00 2.49 +ATOM 548 CG ASN 36 53.261 64.090 67.108 1.00 2.49 +ATOM 549 OD1 ASN 36 53.402 65.021 66.321 1.00 2.49 +ATOM 550 ND2 ASN 36 52.446 64.167 68.133 1.00 2.49 +ATOM 553 C ASN 36 54.116 60.708 65.418 1.00 2.49 +ATOM 554 O ASN 36 54.904 60.649 64.470 1.00 2.49 +ATOM 555 N MET 37 53.846 59.649 66.179 1.00 2.37 +ATOM 557 CA MET 37 54.436 58.328 65.999 1.00 2.37 +ATOM 559 CB MET 37 54.104 57.473 67.233 1.00 2.37 +ATOM 562 CG MET 37 54.744 56.079 67.245 1.00 2.37 +ATOM 565 SD MET 37 56.549 55.956 67.084 1.00 2.37 +ATOM 566 CE MET 37 56.688 54.146 67.107 1.00 2.37 +ATOM 570 C MET 37 54.043 57.686 64.659 1.00 2.37 +ATOM 571 O MET 37 54.918 57.144 63.973 1.00 2.37 +ATOM 572 N PHE 38 52.781 57.810 64.225 1.00 2.01 +ATOM 574 CA PHE 38 52.362 57.332 62.906 1.00 2.01 +ATOM 576 CB PHE 38 50.867 56.996 62.784 1.00 2.01 +ATOM 579 CG PHE 38 50.033 57.999 62.025 1.00 2.01 +ATOM 580 CD1 PHE 38 49.345 57.685 60.845 1.00 2.01 +ATOM 582 CE1 PHE 38 48.511 58.648 60.250 1.00 2.01 +ATOM 584 CZ PHE 38 48.452 59.953 60.758 1.00 2.01 +ATOM 586 CE2 PHE 38 49.169 60.273 61.917 1.00 2.01 +ATOM 588 CD2 PHE 38 49.927 59.277 62.552 1.00 2.01 +ATOM 590 C PHE 38 52.907 58.183 61.750 1.00 2.01 +ATOM 591 O PHE 38 53.374 57.603 60.760 1.00 2.01 +ATOM 592 N VAL 39 53.004 59.518 61.895 1.00 2.15 +ATOM 594 CA VAL 39 53.749 60.326 60.906 1.00 2.15 +ATOM 596 CB VAL 39 53.586 61.840 61.162 1.00 2.15 +ATOM 598 CG1 VAL 39 54.572 62.698 60.357 1.00 2.15 +ATOM 602 CG2 VAL 39 52.175 62.273 60.741 1.00 2.15 +ATOM 606 C VAL 39 55.216 59.910 60.766 1.00 2.15 +ATOM 607 O VAL 39 55.728 59.803 59.645 1.00 2.15 +ATOM 608 N LYS 40 55.900 59.608 61.875 1.00 2.43 +ATOM 610 CA LYS 40 57.289 59.123 61.871 1.00 2.43 +ATOM 612 CB LYS 40 57.791 59.089 63.329 1.00 2.43 +ATOM 615 CG LYS 40 59.302 58.846 63.515 1.00 2.43 +ATOM 618 CD LYS 40 59.806 57.397 63.362 1.00 2.43 +ATOM 621 CE LYS 40 59.084 56.367 64.246 1.00 2.43 +ATOM 624 NZ LYS 40 59.274 56.635 65.694 1.00 2.43 +ATOM 628 C LYS 40 57.426 57.778 61.147 1.00 2.43 +ATOM 629 O LYS 40 58.292 57.650 60.277 1.00 2.43 +ATOM 630 N LEU 41 56.565 56.798 61.466 1.00 2.28 +ATOM 632 CA LEU 41 56.546 55.509 60.752 1.00 2.28 +ATOM 634 CB LEU 41 55.405 54.577 61.226 1.00 2.28 +ATOM 637 CG LEU 41 55.551 53.879 62.587 1.00 2.28 +ATOM 639 CD1 LEU 41 54.446 52.829 62.732 1.00 2.28 +ATOM 643 CD2 LEU 41 56.886 53.159 62.763 1.00 2.28 +ATOM 647 C LEU 41 56.414 55.693 59.234 1.00 2.28 +ATOM 648 O LEU 41 57.233 55.211 58.446 1.00 2.28 +ATOM 649 N ARG 42 55.400 56.454 58.821 1.00 2.03 +ATOM 651 CA ARG 42 55.128 56.677 57.402 1.00 2.03 +ATOM 653 CB ARG 42 53.843 57.507 57.289 1.00 2.03 +ATOM 656 CG ARG 42 53.398 57.655 55.829 1.00 2.03 +ATOM 659 CD ARG 42 53.571 59.053 55.233 1.00 2.03 +ATOM 662 NE ARG 42 53.988 59.046 53.810 1.00 2.03 +ATOM 664 CZ ARG 42 53.372 58.659 52.710 1.00 2.03 +ATOM 665 NH1 ARG 42 52.293 57.948 52.681 1.00 2.03 +ATOM 668 NH2 ARG 42 53.848 58.989 51.552 1.00 2.03 +ATOM 671 C ARG 42 56.279 57.373 56.672 1.00 2.03 +ATOM 672 O ARG 42 56.520 57.122 55.492 1.00 2.03 +ATOM 673 N SER 43 56.976 58.268 57.362 1.00 2.43 +ATOM 675 CA SER 43 58.161 58.929 56.805 1.00 2.43 +ATOM 677 CB SER 43 58.564 60.119 57.685 1.00 2.43 +ATOM 680 OG SER 43 57.464 60.987 57.934 1.00 2.43 +ATOM 682 C SER 43 59.350 57.992 56.668 1.00 2.43 +ATOM 683 O SER 43 60.079 58.133 55.701 1.00 2.43 +ATOM 684 N GLN 44 59.518 56.993 57.547 1.00 2.63 +ATOM 686 CA GLN 44 60.462 55.894 57.271 1.00 2.63 +ATOM 688 CB GLN 44 60.521 54.937 58.488 1.00 2.63 +ATOM 691 CG GLN 44 60.861 53.462 58.176 1.00 2.63 +ATOM 694 CD GLN 44 60.784 52.553 59.395 1.00 2.63 +ATOM 695 OE1 GLN 44 59.910 52.676 60.242 1.00 2.63 +ATOM 696 NE2 GLN 44 61.674 51.592 59.531 1.00 2.63 +ATOM 699 C GLN 44 60.101 55.191 55.953 1.00 2.63 +ATOM 700 O GLN 44 60.883 55.113 55.003 1.00 2.63 +ATOM 701 N GLU 45 58.860 54.717 55.899 1.00 2.34 +ATOM 703 CA GLU 45 58.295 53.960 54.779 1.00 2.34 +ATOM 705 CB GLU 45 56.818 53.772 55.123 1.00 2.34 +ATOM 708 CG GLU 45 56.543 52.655 56.138 1.00 2.34 +ATOM 711 CD GLU 45 56.298 51.341 55.404 1.00 2.34 +ATOM 712 OE1 GLU 45 55.402 51.340 54.541 1.00 2.34 +ATOM 713 OE2 GLU 45 57.015 50.356 55.662 1.00 2.34 +ATOM 714 C GLU 45 58.479 54.567 53.395 1.00 2.34 +ATOM 715 O GLU 45 58.778 53.893 52.400 1.00 2.34 +ATOM 716 N CYS 46 58.319 55.878 53.385 1.00 2.69 +ATOM 718 CA CYS 46 58.291 56.684 52.193 1.00 2.69 +ATOM 720 CB CYS 46 56.911 57.332 52.229 1.00 2.69 +ATOM 723 SG CYS 46 56.231 57.497 50.569 1.00 2.69 +ATOM 725 C CYS 46 59.510 57.586 52.114 1.00 2.69 +ATOM 726 O CYS 46 59.537 58.509 51.318 1.00 2.69 +ATOM 727 N ASP 47 60.571 57.282 52.866 1.00 3.32 +ATOM 729 CA ASP 47 61.873 57.866 52.578 1.00 3.32 +ATOM 731 CB ASP 47 62.724 58.064 53.844 1.00 3.32 +ATOM 734 CG ASP 47 62.707 59.518 54.362 1.00 3.32 +ATOM 735 OD1 ASP 47 61.761 60.308 54.115 1.00 3.32 +ATOM 736 OD2 ASP 47 63.711 59.930 54.990 1.00 3.32 +ATOM 737 C ASP 47 62.542 57.216 51.354 1.00 3.32 +ATOM 738 O ASP 47 63.740 56.933 51.334 1.00 3.32 +ATOM 739 N TRP 48 61.750 57.047 50.300 1.00 4.63 +ATOM 741 CA TRP 48 62.138 57.255 48.921 1.00 4.63 +ATOM 743 CB TRP 48 62.900 56.027 48.398 1.00 4.63 +ATOM 746 CG TRP 48 64.383 56.178 48.379 1.00 4.63 +ATOM 747 CD1 TRP 48 65.281 55.335 48.932 1.00 4.63 +ATOM 749 NE1 TRP 48 66.558 55.778 48.653 1.00 4.63 +ATOM 751 CE2 TRP 48 66.542 56.920 47.883 1.00 4.63 +ATOM 752 CZ2 TRP 48 67.553 57.694 47.299 1.00 4.63 +ATOM 754 CH2 TRP 48 67.191 58.799 46.508 1.00 4.63 +ATOM 756 CZ3 TRP 48 65.838 59.129 46.330 1.00 4.63 +ATOM 758 CE3 TRP 48 64.835 58.341 46.917 1.00 4.63 +ATOM 760 CD2 TRP 48 65.160 57.212 47.701 1.00 4.63 +ATOM 761 C TRP 48 60.918 57.662 48.088 1.00 4.63 +ATOM 762 O TRP 48 59.853 57.952 48.632 1.00 4.63 +ATOM 763 N GLU 49 61.043 57.677 46.767 1.00 5.44 +ATOM 765 CA GLU 49 59.927 57.236 45.942 1.00 5.44 +ATOM 767 CB GLU 49 59.962 57.856 44.523 1.00 5.44 +ATOM 770 CG GLU 49 61.218 58.632 44.081 1.00 5.44 +ATOM 773 CD GLU 49 62.431 57.737 43.795 1.00 5.44 +ATOM 774 OE1 GLU 49 62.884 57.039 44.734 1.00 5.44 +ATOM 775 OE2 GLU 49 62.910 57.782 42.641 1.00 5.44 +ATOM 776 C GLU 49 59.933 55.705 45.892 1.00 5.44 +ATOM 777 O GLU 49 58.901 55.070 46.057 1.00 5.44 +ATOM 778 N GLU 50 61.075 55.057 45.685 1.00 4.82 +ATOM 780 CA GLU 50 61.018 53.665 45.281 1.00 4.82 +ATOM 782 CB GLU 50 60.710 53.686 43.760 1.00 4.82 +ATOM 785 CG GLU 50 60.328 52.340 43.140 1.00 4.82 +ATOM 788 CD GLU 50 58.940 51.893 43.589 1.00 4.82 +ATOM 789 OE1 GLU 50 58.760 51.545 44.783 1.00 4.82 +ATOM 790 OE2 GLU 50 58.017 51.810 42.742 1.00 4.82 +ATOM 791 C GLU 50 62.283 52.849 45.544 1.00 4.82 +ATOM 792 O GLU 50 63.261 52.970 44.813 1.00 4.82 +ATOM 793 N ILE 51 62.189 51.969 46.553 1.00 4.99 +ATOM 795 CA ILE 51 63.023 50.834 46.991 1.00 4.99 +ATOM 797 CB ILE 51 62.599 49.530 46.255 1.00 4.99 +ATOM 799 CG2 ILE 51 61.088 49.268 46.395 1.00 4.99 +ATOM 803 CG1 ILE 51 63.050 49.499 44.773 1.00 4.99 +ATOM 806 CD1 ILE 51 62.721 48.195 44.034 1.00 4.99 +ATOM 810 C ILE 51 64.552 50.978 46.958 1.00 4.99 +ATOM 811 O ILE 51 65.283 49.987 47.045 1.00 4.99 +ATOM 812 N SER 52 65.067 52.193 46.868 1.00 5.43 +ATOM 814 CA SER 52 66.459 52.470 46.543 1.00 5.43 +ATOM 816 CB SER 52 66.532 53.740 45.685 1.00 5.43 +ATOM 819 OG SER 52 65.976 53.470 44.413 1.00 5.43 +ATOM 821 C SER 52 67.296 52.562 47.813 1.00 5.43 +ATOM 822 O SER 52 68.076 53.486 48.052 1.00 5.43 +ATOM 823 N VAL 53 67.036 51.613 48.699 1.00 6.37 +ATOM 825 CA VAL 53 67.205 51.748 50.133 1.00 6.37 +ATOM 827 CB VAL 53 65.847 51.544 50.858 1.00 6.37 +ATOM 829 CG1 VAL 53 65.032 50.318 50.401 1.00 6.37 +ATOM 833 CG2 VAL 53 65.972 51.356 52.376 1.00 6.37 +ATOM 837 C VAL 53 68.170 50.699 50.658 1.00 6.37 +ATOM 838 O VAL 53 68.192 49.540 50.245 1.00 6.37 +ATOM 839 N LYS 54 68.882 51.083 51.707 1.00 7.32 +ATOM 841 CA LYS 54 69.647 50.182 52.552 1.00 7.32 +ATOM 843 CB LYS 54 70.704 51.097 53.197 1.00 7.32 +ATOM 846 CG LYS 54 71.881 50.430 53.909 1.00 7.32 +ATOM 849 CD LYS 54 73.002 51.449 54.204 1.00 7.32 +ATOM 852 CE LYS 54 72.562 52.667 55.040 1.00 7.32 +ATOM 855 NZ LYS 54 71.930 53.755 54.245 1.00 7.32 +ATOM 859 C LYS 54 68.789 49.396 53.544 1.00 7.32 +ATOM 860 O LYS 54 68.908 49.656 54.735 1.00 7.32 +ATOM 861 N GLY 55 67.946 48.484 53.021 1.00 6.75 +ATOM 863 CA GLY 55 66.803 47.790 53.675 1.00 6.75 +ATOM 866 C GLY 55 66.331 48.439 54.987 1.00 6.75 +ATOM 867 O GLY 55 65.389 49.240 54.971 1.00 6.75 +ATOM 868 N PRO 56 67.033 48.179 56.097 1.00 5.76 +ATOM 869 CD PRO 56 68.001 47.084 56.225 1.00 5.76 +ATOM 872 CG PRO 56 68.354 46.976 57.703 1.00 5.76 +ATOM 875 CB PRO 56 68.006 48.361 58.235 1.00 5.76 +ATOM 878 CA PRO 56 66.825 48.827 57.373 1.00 5.76 +ATOM 880 C PRO 56 66.714 50.338 57.534 1.00 5.76 +ATOM 881 O PRO 56 65.991 50.773 58.428 1.00 5.76 +ATOM 882 N ASN 57 67.517 51.135 56.820 1.00 5.42 +ATOM 884 CA ASN 57 67.913 52.443 57.364 1.00 5.42 +ATOM 886 CB ASN 57 69.013 53.074 56.489 1.00 5.42 +ATOM 889 CG ASN 57 69.897 54.077 57.214 1.00 5.42 +ATOM 890 OD1 ASN 57 71.115 53.954 57.234 1.00 5.42 +ATOM 891 ND2 ASN 57 69.354 55.082 57.859 1.00 5.42 +ATOM 894 C ASN 57 66.733 53.395 57.610 1.00 5.42 +ATOM 895 O ASN 57 66.808 54.204 58.535 1.00 5.42 +ATOM 896 N GLY 58 65.656 53.262 56.847 1.00 4.44 +ATOM 898 CA GLY 58 64.443 54.007 57.039 1.00 4.44 +ATOM 901 C GLY 58 64.475 55.425 56.301 1.00 4.44 +ATOM 902 O GLY 58 64.017 56.349 56.961 1.00 4.44 +ATOM 903 N GLU 59 65.008 55.822 55.099 1.00 4.16 +ATOM 905 CA GLU 59 65.216 55.298 53.671 1.00 4.16 +ATOM 907 CB GLU 59 66.659 54.786 53.474 1.00 4.16 +ATOM 910 CG GLU 59 67.790 55.801 53.611 1.00 4.16 +ATOM 913 CD GLU 59 69.174 55.108 53.637 1.00 4.16 +ATOM 914 OE1 GLU 59 70.091 55.619 54.321 1.00 4.16 +ATOM 915 OE2 GLU 59 69.366 53.999 53.079 1.00 4.16 +ATOM 916 C GLU 59 64.246 54.188 53.340 1.00 4.16 +ATOM 917 O GLU 59 64.239 53.203 54.141 1.00 4.16 +ATOM 918 N SER 60 63.518 54.212 52.250 1.00 3.26 +ATOM 920 CA SER 60 62.769 53.034 51.804 1.00 3.26 +ATOM 922 CB SER 60 61.699 52.594 52.851 1.00 3.26 +ATOM 925 OG SER 60 61.046 51.369 52.506 1.00 3.26 +ATOM 927 C SER 60 62.252 52.968 50.389 1.00 3.26 +ATOM 928 O SER 60 62.977 52.693 49.433 1.00 3.26 +ATOM 929 N SER 61 60.945 53.078 50.292 1.00 2.86 +ATOM 931 CA SER 61 60.200 52.798 49.098 1.00 2.86 +ATOM 933 CB SER 61 59.504 51.424 49.219 1.00 2.86 +ATOM 936 OG SER 61 60.383 50.434 49.717 1.00 2.86 +ATOM 938 C SER 61 59.259 53.982 49.062 1.00 2.86 +ATOM 939 O SER 61 59.582 55.092 49.484 1.00 2.86 +ATOM 940 N VAL 62 58.036 53.698 48.700 1.00 2.62 +ATOM 942 CA VAL 62 56.903 54.463 49.155 1.00 2.62 +ATOM 944 CB VAL 62 56.286 55.125 47.924 1.00 2.62 +ATOM 946 CG1 VAL 62 56.963 56.447 47.562 1.00 2.62 +ATOM 950 CG2 VAL 62 56.169 54.140 46.722 1.00 2.62 +ATOM 954 C VAL 62 55.901 53.580 49.884 1.00 2.62 +ATOM 955 O VAL 62 55.884 52.378 49.620 1.00 2.62 +ATOM 956 N ILE 63 55.109 54.171 50.799 1.00 2.31 +ATOM 958 CA ILE 63 54.453 53.428 51.894 1.00 2.31 +ATOM 960 CB ILE 63 53.386 54.171 52.707 1.00 2.31 +ATOM 962 CG2 ILE 63 53.990 55.457 53.206 1.00 2.31 +ATOM 966 CG1 ILE 63 52.009 54.457 52.044 1.00 2.31 +ATOM 969 CD1 ILE 63 50.898 54.745 53.072 1.00 2.31 +ATOM 973 C ILE 63 53.803 52.132 51.458 1.00 2.31 +ATOM 974 O ILE 63 53.167 52.081 50.406 1.00 2.31 +ATOM 975 N HIS 64 53.873 51.102 52.293 1.00 2.63 +ATOM 977 CA HIS 64 53.356 49.844 51.834 1.00 2.63 +ATOM 979 CB HIS 64 54.244 48.696 52.317 1.00 2.63 +ATOM 982 CG HIS 64 55.638 48.694 51.720 1.00 2.63 +ATOM 983 ND1 HIS 64 56.089 47.887 50.666 1.00 2.63 +ATOM 984 CE1 HIS 64 57.403 48.136 50.547 1.00 2.63 +ATOM 986 NE2 HIS 64 57.789 49.068 51.432 1.00 2.63 +ATOM 988 CD2 HIS 64 56.694 49.419 52.182 1.00 2.63 +ATOM 990 C HIS 64 51.907 49.728 52.268 1.00 2.63 +ATOM 991 O HIS 64 51.554 50.033 53.405 1.00 2.63 +ATOM 992 N ASP 65 51.040 49.301 51.349 1.00 2.73 +ATOM 994 CA ASP 65 49.705 48.903 51.774 1.00 2.73 +ATOM 996 CB ASP 65 48.804 48.504 50.602 1.00 2.73 +ATOM 999 CG ASP 65 47.473 47.961 51.136 1.00 2.73 +ATOM 1000 OD1 ASP 65 47.397 46.738 51.399 1.00 2.73 +ATOM 1001 OD2 ASP 65 46.567 48.782 51.387 1.00 2.73 +ATOM 1002 C ASP 65 49.791 47.745 52.779 1.00 2.73 +ATOM 1003 O ASP 65 50.290 46.655 52.477 1.00 2.73 +ATOM 1004 N ARG 66 49.197 48.008 53.941 1.00 3.00 +ATOM 1006 CA ARG 66 49.033 47.149 55.114 1.00 3.00 +ATOM 1008 CB ARG 66 47.863 47.723 55.951 1.00 3.00 +ATOM 1011 CG ARG 66 46.503 47.701 55.204 1.00 3.00 +ATOM 1014 CD ARG 66 45.290 48.085 56.054 1.00 3.00 +ATOM 1017 NE ARG 66 44.794 46.985 56.906 1.00 3.00 +ATOM 1019 CZ ARG 66 43.744 47.017 57.710 1.00 3.00 +ATOM 1020 NH1 ARG 66 43.085 48.104 57.989 1.00 3.00 +ATOM 1023 NH2 ARG 66 43.320 45.922 58.267 1.00 3.00 +ATOM 1026 C ARG 66 48.735 45.671 54.912 1.00 3.00 +ATOM 1027 O ARG 66 48.941 44.899 55.847 1.00 3.00 +ATOM 1028 N LYS 67 48.133 45.291 53.782 1.00 3.34 +ATOM 1030 CA LYS 67 47.648 43.932 53.552 1.00 3.34 +ATOM 1032 CB LYS 67 46.178 43.778 53.957 1.00 3.34 +ATOM 1035 CG LYS 67 45.142 44.467 53.052 1.00 3.34 +ATOM 1038 CD LYS 67 43.714 43.920 53.250 1.00 3.34 +ATOM 1041 CE LYS 67 43.085 44.104 54.646 1.00 3.34 +ATOM 1044 NZ LYS 67 43.715 43.253 55.685 1.00 3.34 +ATOM 1048 C LYS 67 47.940 43.361 52.171 1.00 3.34 +ATOM 1049 O LYS 67 47.639 42.196 51.928 1.00 3.34 +ATOM 1050 N SER 68 48.573 44.141 51.303 1.00 3.33 +ATOM 1052 CA SER 68 49.100 43.678 50.022 1.00 3.33 +ATOM 1054 CB SER 68 48.563 44.594 48.913 1.00 3.33 +ATOM 1057 OG SER 68 49.089 44.239 47.647 1.00 3.33 +ATOM 1059 C SER 68 50.630 43.671 49.977 1.00 3.33 +ATOM 1060 O SER 68 51.194 43.113 49.038 1.00 3.33 +ATOM 1061 N GLY 69 51.307 44.344 50.915 1.00 3.16 +ATOM 1063 CA GLY 69 52.748 44.613 50.865 1.00 3.16 +ATOM 1066 C GLY 69 53.211 45.390 49.622 1.00 3.16 +ATOM 1067 O GLY 69 54.401 45.451 49.317 1.00 3.16 +ATOM 1068 N LYS 70 52.277 45.972 48.855 1.00 3.15 +ATOM 1070 CA LYS 70 52.595 46.799 47.695 1.00 3.15 +ATOM 1072 CB LYS 70 51.452 46.750 46.656 1.00 3.15 +ATOM 1075 CG LYS 70 51.818 47.373 45.286 1.00 3.15 +ATOM 1078 CD LYS 70 51.334 48.820 45.093 1.00 3.15 +ATOM 1081 CE LYS 70 51.803 49.417 43.750 1.00 3.15 +ATOM 1084 NZ LYS 70 51.693 50.899 43.726 1.00 3.15 +ATOM 1088 C LYS 70 52.909 48.216 48.172 1.00 3.15 +ATOM 1089 O LYS 70 52.021 48.996 48.498 1.00 3.15 +ATOM 1090 N LYS 71 54.195 48.535 48.162 1.00 2.70 +ATOM 1092 CA LYS 71 54.788 49.863 47.943 1.00 2.70 +ATOM 1094 CB LYS 71 56.229 49.664 47.426 1.00 2.70 +ATOM 1097 CG LYS 71 56.378 48.439 46.485 1.00 2.70 +ATOM 1100 CD LYS 71 57.445 48.578 45.399 1.00 2.70 +ATOM 1103 CE LYS 71 56.869 49.174 44.107 1.00 2.70 +ATOM 1106 NZ LYS 71 56.350 50.541 44.311 1.00 2.70 +ATOM 1110 C LYS 71 53.994 50.785 47.005 1.00 2.70 +ATOM 1111 O LYS 71 53.922 50.549 45.793 1.00 2.70 +ATOM 1112 N PHE 72 53.489 51.892 47.531 1.00 2.69 +ATOM 1114 CA PHE 72 52.616 52.867 46.882 1.00 2.69 +ATOM 1116 CB PHE 72 51.205 52.764 47.519 1.00 2.69 +ATOM 1119 CG PHE 72 50.207 51.778 46.943 1.00 2.69 +ATOM 1120 CD1 PHE 72 49.670 50.739 47.722 1.00 2.69 +ATOM 1122 CE1 PHE 72 48.630 49.937 47.214 1.00 2.69 +ATOM 1124 CZ PHE 72 48.093 50.197 45.942 1.00 2.69 +ATOM 1126 CE2 PHE 72 48.620 51.240 45.163 1.00 2.69 +ATOM 1128 CD2 PHE 72 49.676 52.014 45.669 1.00 2.69 +ATOM 1130 C PHE 72 53.070 54.305 47.094 1.00 2.69 +ATOM 1131 O PHE 72 53.145 54.748 48.241 1.00 2.69 +ATOM 1132 N SER 73 53.332 55.028 45.992 1.00 2.71 +ATOM 1134 CA SER 73 53.807 56.429 46.008 1.00 2.71 +ATOM 1136 CB SER 73 53.924 56.966 44.582 1.00 2.71 +ATOM 1139 OG SER 73 54.594 58.211 44.608 1.00 2.71 +ATOM 1141 C SER 73 52.878 57.291 46.851 1.00 2.71 +ATOM 1142 O SER 73 51.720 56.938 47.026 1.00 2.71 +ATOM 1143 N ILE 74 53.349 58.426 47.365 1.00 2.38 +ATOM 1145 CA ILE 74 52.513 59.338 48.157 1.00 2.38 +ATOM 1147 CB ILE 74 53.223 60.699 48.367 1.00 2.38 +ATOM 1149 CG2 ILE 74 54.187 61.123 47.233 1.00 2.38 +ATOM 1153 CG1 ILE 74 52.257 61.848 48.762 1.00 2.38 +ATOM 1156 CD1 ILE 74 51.737 62.760 47.632 1.00 2.38 +ATOM 1160 C ILE 74 51.120 59.556 47.550 1.00 2.38 +ATOM 1161 O ILE 74 50.110 59.405 48.239 1.00 2.38 +ATOM 1162 N GLU 75 51.086 59.884 46.264 1.00 2.77 +ATOM 1164 CA GLU 75 49.844 60.221 45.579 1.00 2.77 +ATOM 1166 CB GLU 75 50.193 60.810 44.198 1.00 2.77 +ATOM 1169 CG GLU 75 48.994 61.113 43.277 1.00 2.77 +ATOM 1172 CD GLU 75 48.012 62.167 43.815 1.00 2.77 +ATOM 1173 OE1 GLU 75 46.930 62.305 43.198 1.00 2.77 +ATOM 1174 OE2 GLU 75 48.351 62.834 44.818 1.00 2.77 +ATOM 1175 C GLU 75 48.951 58.975 45.425 1.00 2.77 +ATOM 1176 O GLU 75 47.749 59.029 45.673 1.00 2.77 +ATOM 1177 N GLU 76 49.533 57.815 45.090 1.00 2.85 +ATOM 1179 CA GLU 76 48.777 56.561 45.020 1.00 2.85 +ATOM 1181 CB GLU 76 49.643 55.367 44.575 1.00 2.85 +ATOM 1184 CG GLU 76 50.372 55.351 43.224 1.00 2.85 +ATOM 1187 CD GLU 76 51.100 53.995 43.068 1.00 2.85 +ATOM 1188 OE1 GLU 76 52.184 53.809 43.674 1.00 2.85 +ATOM 1189 OE2 GLU 76 50.535 53.029 42.505 1.00 2.85 +ATOM 1190 C GLU 76 48.175 56.135 46.372 1.00 2.85 +ATOM 1191 O GLU 76 47.093 55.550 46.448 1.00 2.85 +ATOM 1192 N ALA 77 48.912 56.372 47.454 1.00 2.30 +ATOM 1194 CA ALA 77 48.516 56.049 48.806 1.00 2.30 +ATOM 1196 CB ALA 77 49.743 56.173 49.709 1.00 2.30 +ATOM 1200 C ALA 77 47.328 56.933 49.223 1.00 2.30 +ATOM 1201 O ALA 77 46.295 56.433 49.679 1.00 2.30 +ATOM 1202 N LEU 78 47.436 58.242 48.976 1.00 2.31 +ATOM 1204 CA LEU 78 46.354 59.201 49.166 1.00 2.31 +ATOM 1206 CB LEU 78 46.892 60.572 48.706 1.00 2.31 +ATOM 1209 CG LEU 78 45.890 61.737 48.746 1.00 2.31 +ATOM 1211 CD1 LEU 78 45.482 62.086 50.177 1.00 2.31 +ATOM 1215 CD2 LEU 78 46.529 62.972 48.115 1.00 2.31 +ATOM 1219 C LEU 78 45.080 58.778 48.414 1.00 2.31 +ATOM 1220 O LEU 78 44.021 58.655 49.031 1.00 2.31 +ATOM 1221 N GLN 79 45.191 58.466 47.121 1.00 2.71 +ATOM 1223 CA GLN 79 44.068 57.990 46.313 1.00 2.71 +ATOM 1225 CB GLN 79 44.503 57.879 44.842 1.00 2.71 +ATOM 1228 CG GLN 79 44.740 59.242 44.164 1.00 2.71 +ATOM 1231 CD GLN 79 45.129 59.105 42.692 1.00 2.71 +ATOM 1232 OE1 GLN 79 44.927 58.087 42.045 1.00 2.71 +ATOM 1233 NE2 GLN 79 45.675 60.125 42.074 1.00 2.71 +ATOM 1236 C GLN 79 43.476 56.648 46.777 1.00 2.71 +ATOM 1237 O GLN 79 42.279 56.423 46.602 1.00 2.71 +ATOM 1238 N SER 80 44.270 55.768 47.405 1.00 2.57 +ATOM 1240 CA SER 80 43.762 54.499 47.956 1.00 2.57 +ATOM 1242 CB SER 80 44.802 53.381 47.798 1.00 2.57 +ATOM 1245 OG SER 80 46.073 53.756 48.285 1.00 2.57 +ATOM 1247 C SER 80 43.287 54.648 49.404 1.00 2.57 +ATOM 1248 O SER 80 42.837 53.680 50.023 1.00 2.57 +ATOM 1249 N GLY 81 43.357 55.862 49.958 1.00 2.57 +ATOM 1251 CA GLY 81 42.944 56.185 51.316 1.00 2.57 +ATOM 1254 C GLY 81 43.815 55.554 52.402 1.00 2.57 +ATOM 1255 O GLY 81 43.352 55.425 53.535 1.00 2.57 +ATOM 1256 N ARG 82 45.047 55.137 52.075 1.00 2.22 +ATOM 1258 CA ARG 82 46.017 54.583 53.041 1.00 2.22 +ATOM 1260 CB ARG 82 46.860 53.457 52.403 1.00 2.22 +ATOM 1263 CG ARG 82 46.110 52.169 52.016 1.00 2.22 +ATOM 1266 CD ARG 82 45.636 51.261 53.180 1.00 2.22 +ATOM 1269 NE ARG 82 44.572 51.819 54.049 1.00 2.22 +ATOM 1271 CZ ARG 82 43.382 52.241 53.672 1.00 2.22 +ATOM 1272 NH1 ARG 82 42.974 52.165 52.441 1.00 2.22 +ATOM 1275 NH2 ARG 82 42.588 52.809 54.524 1.00 2.22 +ATOM 1278 C ARG 82 46.937 55.627 53.677 1.00 2.22 +ATOM 1279 O ARG 82 47.704 55.306 54.584 1.00 2.22 +ATOM 1280 N LEU 83 46.808 56.887 53.254 1.00 1.91 +ATOM 1282 CA LEU 83 46.972 58.037 54.144 1.00 1.91 +ATOM 1284 CB LEU 83 48.413 58.493 54.291 1.00 1.91 +ATOM 1287 CG LEU 83 49.006 59.394 53.209 1.00 1.91 +ATOM 1289 CD1 LEU 83 50.333 59.868 53.778 1.00 1.91 +ATOM 1293 CD2 LEU 83 49.211 58.639 51.910 1.00 1.91 +ATOM 1297 C LEU 83 46.049 59.198 53.768 1.00 1.91 +ATOM 1298 O LEU 83 45.580 59.286 52.635 1.00 1.91 +ATOM 1299 N THR 84 45.807 60.087 54.725 1.00 2.25 +ATOM 1301 CA THR 84 45.000 61.299 54.561 1.00 2.25 +ATOM 1303 CB THR 84 44.474 61.806 55.917 1.00 2.25 +ATOM 1305 CG2 THR 84 43.370 60.918 56.484 1.00 2.25 +ATOM 1309 OG1 THR 84 45.523 61.984 56.840 1.00 2.25 +ATOM 1311 C THR 84 45.730 62.467 53.913 1.00 2.25 +ATOM 1312 O THR 84 46.956 62.463 53.883 1.00 2.25 +ATOM 1313 N PRO 85 45.012 63.510 53.447 1.00 2.46 +ATOM 1314 CD PRO 85 43.570 63.553 53.223 1.00 2.46 +ATOM 1317 CG PRO 85 43.318 64.749 52.303 1.00 2.46 +ATOM 1320 CB PRO 85 44.489 65.679 52.610 1.00 2.46 +ATOM 1323 CA PRO 85 45.636 64.711 52.913 1.00 2.46 +ATOM 1325 C PRO 85 46.714 65.362 53.795 1.00 2.46 +ATOM 1326 O PRO 85 47.806 65.628 53.312 1.00 2.46 +ATOM 1327 N ALA 86 46.447 65.585 55.088 1.00 2.27 +ATOM 1329 CA ALA 86 47.423 66.197 55.996 1.00 2.27 +ATOM 1331 CB ALA 86 46.718 66.505 57.323 1.00 2.27 +ATOM 1335 C ALA 86 48.672 65.318 56.216 1.00 2.27 +ATOM 1336 O ALA 86 49.802 65.796 56.327 1.00 2.27 +ATOM 1337 N HIS 87 48.473 64.001 56.253 1.00 2.05 +ATOM 1339 CA HIS 87 49.557 63.029 56.358 1.00 2.05 +ATOM 1341 CB HIS 87 48.899 61.684 56.727 1.00 2.05 +ATOM 1344 CG HIS 87 49.797 60.557 57.180 1.00 2.05 +ATOM 1345 ND1 HIS 87 51.118 60.657 57.618 1.00 2.05 +ATOM 1346 CE1 HIS 87 51.420 59.447 58.108 1.00 2.05 +ATOM 1348 NE2 HIS 87 50.416 58.583 57.938 1.00 2.05 +ATOM 1350 CD2 HIS 87 49.376 59.278 57.390 1.00 2.05 +ATOM 1352 C HIS 87 50.427 62.979 55.084 1.00 2.05 +ATOM 1353 O HIS 87 51.650 62.843 55.166 1.00 2.05 +ATOM 1354 N TYR 88 49.801 63.119 53.906 1.00 2.18 +ATOM 1356 CA TYR 88 50.472 63.285 52.611 1.00 2.18 +ATOM 1358 CB TYR 88 49.465 63.317 51.418 1.00 2.18 +ATOM 1361 CG TYR 88 49.492 64.525 50.460 1.00 2.18 +ATOM 1362 CD1 TYR 88 50.674 64.915 49.794 1.00 2.18 +ATOM 1364 CE1 TYR 88 50.709 66.062 48.978 1.00 2.18 +ATOM 1366 CZ TYR 88 49.545 66.834 48.796 1.00 2.18 +ATOM 1367 OH TYR 88 49.584 67.964 48.042 1.00 2.18 +ATOM 1369 CE2 TYR 88 48.343 66.428 49.408 1.00 2.18 +ATOM 1371 CD2 TYR 88 48.326 65.282 50.223 1.00 2.18 +ATOM 1373 C TYR 88 51.332 64.545 52.616 1.00 2.18 +ATOM 1374 O TYR 88 52.487 64.451 52.227 1.00 2.18 +ATOM 1375 N ASP 89 50.791 65.684 53.051 1.00 2.27 +ATOM 1377 CA ASP 89 51.522 66.945 53.157 1.00 2.27 +ATOM 1379 CB ASP 89 50.559 68.006 53.741 1.00 2.27 +ATOM 1382 CG ASP 89 51.244 69.048 54.638 1.00 2.27 +ATOM 1383 OD1 ASP 89 51.146 68.892 55.878 1.00 2.27 +ATOM 1384 OD2 ASP 89 51.868 69.969 54.069 1.00 2.27 +ATOM 1385 C ASP 89 52.787 66.778 54.016 1.00 2.27 +ATOM 1386 O ASP 89 53.910 66.984 53.540 1.00 2.27 +ATOM 1387 N ARG 90 52.620 66.299 55.260 1.00 2.16 +ATOM 1389 CA ARG 90 53.764 66.109 56.166 1.00 2.16 +ATOM 1391 CB ARG 90 53.292 65.637 57.560 1.00 2.16 +ATOM 1394 CG ARG 90 52.501 66.709 58.335 1.00 2.16 +ATOM 1397 CD ARG 90 52.118 66.267 59.764 1.00 2.16 +ATOM 1400 NE ARG 90 53.270 66.292 60.696 1.00 2.16 +ATOM 1402 CZ ARG 90 53.309 65.891 61.960 1.00 2.16 +ATOM 1403 NH1 ARG 90 52.287 65.397 62.602 1.00 2.16 +ATOM 1406 NH2 ARG 90 54.411 65.982 62.646 1.00 2.16 +ATOM 1409 C ARG 90 54.825 65.174 55.612 1.00 2.16 +ATOM 1410 O ARG 90 56.033 65.419 55.756 1.00 2.16 +ATOM 1411 N TYR 91 54.371 64.121 54.940 1.00 2.22 +ATOM 1413 CA TYR 91 55.249 63.267 54.173 1.00 2.22 +ATOM 1415 CB TYR 91 54.460 62.131 53.584 1.00 2.22 +ATOM 1418 CG TYR 91 55.342 61.456 52.586 1.00 2.22 +ATOM 1419 CD1 TYR 91 56.528 60.856 53.030 1.00 2.22 +ATOM 1421 CE1 TYR 91 57.474 60.450 52.089 1.00 2.22 +ATOM 1423 CZ TYR 91 57.192 60.519 50.705 1.00 2.22 +ATOM 1424 OH TYR 91 57.974 59.951 49.756 1.00 2.22 +ATOM 1426 CE2 TYR 91 56.055 61.212 50.280 1.00 2.22 +ATOM 1428 CD2 TYR 91 55.138 61.700 51.220 1.00 2.22 +ATOM 1430 C TYR 91 56.013 64.057 53.124 1.00 2.22 +ATOM 1431 O TYR 91 57.220 64.043 53.241 1.00 2.22 +ATOM 1432 N VAL 92 55.390 64.728 52.151 1.00 2.42 +ATOM 1434 CA VAL 92 56.126 65.406 51.073 1.00 2.42 +ATOM 1436 CB VAL 92 55.270 65.930 49.905 1.00 2.42 +ATOM 1438 CG1 VAL 92 54.547 64.784 49.199 1.00 2.42 +ATOM 1442 CG2 VAL 92 54.236 66.983 50.313 1.00 2.42 +ATOM 1446 C VAL 92 57.056 66.507 51.576 1.00 2.42 +ATOM 1447 O VAL 92 58.002 66.890 50.891 1.00 2.42 +ATOM 1448 N ASN 93 56.836 67.002 52.794 1.00 2.71 +ATOM 1450 CA ASN 93 57.825 67.799 53.503 1.00 2.71 +ATOM 1452 CB ASN 93 57.114 68.483 54.682 1.00 2.71 +ATOM 1455 CG ASN 93 57.860 69.730 55.097 1.00 2.71 +ATOM 1456 OD1 ASN 93 58.803 69.702 55.868 1.00 2.71 +ATOM 1457 ND2 ASN 93 57.482 70.859 54.547 1.00 2.71 +ATOM 1460 C ASN 93 59.044 66.964 53.964 1.00 2.71 +ATOM 1461 O ASN 93 60.179 67.375 53.729 1.00 2.71 +ATOM 1462 N LYS 94 58.894 65.763 54.551 1.00 2.90 +ATOM 1464 CA LYS 94 60.086 64.911 54.826 1.00 2.90 +ATOM 1466 CB LYS 94 59.745 63.749 55.786 1.00 2.90 +ATOM 1469 CG LYS 94 60.475 63.852 57.138 1.00 2.90 +ATOM 1472 CD LYS 94 62.019 63.924 57.122 1.00 2.90 +ATOM 1475 CE LYS 94 62.759 62.644 56.702 1.00 2.90 +ATOM 1478 NZ LYS 94 62.836 62.448 55.240 1.00 2.90 +ATOM 1482 C LYS 94 60.799 64.358 53.569 1.00 2.90 +ATOM 1483 O LYS 94 62.028 64.434 53.408 1.00 2.90 +ATOM 1484 N ASP 95 60.003 63.843 52.651 1.00 4.07 +ATOM 1486 CA ASP 95 60.304 63.587 51.251 1.00 4.07 +ATOM 1488 CB ASP 95 59.129 62.827 50.598 1.00 4.07 +ATOM 1491 CG ASP 95 58.764 63.082 49.109 1.00 4.07 +ATOM 1492 OD1 ASP 95 57.926 63.971 48.836 1.00 4.07 +ATOM 1493 OD2 ASP 95 59.308 62.396 48.226 1.00 4.07 +ATOM 1494 C ASP 95 60.653 64.869 50.500 1.00 4.07 +ATOM 1495 O ASP 95 60.808 64.797 49.309 1.00 4.07 +ATOM 1496 N MET 96 60.895 66.026 51.119 1.00 3.97 +ATOM 1498 CA MET 96 61.630 67.083 50.426 1.00 3.97 +ATOM 1500 CB MET 96 60.946 68.442 50.672 1.00 3.97 +ATOM 1503 CG MET 96 61.765 69.690 50.318 1.00 3.97 +ATOM 1506 SD MET 96 62.959 70.250 51.577 1.00 3.97 +ATOM 1507 CE MET 96 61.858 70.660 52.962 1.00 3.97 +ATOM 1511 C MET 96 63.132 67.063 50.722 1.00 3.97 +ATOM 1512 O MET 96 63.919 67.371 49.832 1.00 3.97 +ATOM 1513 N SER 97 63.567 66.536 51.873 1.00 3.77 +ATOM 1515 CA SER 97 64.919 65.959 51.956 1.00 3.77 +ATOM 1517 CB SER 97 65.267 65.538 53.388 1.00 3.77 +ATOM 1520 OG SER 97 64.985 66.566 54.315 1.00 3.77 +ATOM 1522 C SER 97 65.013 64.724 51.070 1.00 3.77 +ATOM 1523 O SER 97 66.007 64.543 50.371 1.00 3.77 +ATOM 1524 N ILE 98 63.951 63.901 51.015 1.00 4.59 +ATOM 1526 CA ILE 98 63.935 62.870 49.968 1.00 4.59 +ATOM 1528 CB ILE 98 63.196 61.566 50.364 1.00 4.59 +ATOM 1530 CG2 ILE 98 62.197 61.079 49.308 1.00 4.59 +ATOM 1534 CG1 ILE 98 64.190 60.430 50.672 1.00 4.59 +ATOM 1537 CD1 ILE 98 65.056 60.720 51.907 1.00 4.59 +ATOM 1541 C ILE 98 63.791 63.397 48.523 1.00 4.59 +ATOM 1542 O ILE 98 64.230 62.713 47.608 1.00 4.59 +ATOM 1543 N GLN 99 63.381 64.654 48.304 1.00 4.85 +ATOM 1545 CA GLN 99 63.416 65.329 47.007 1.00 4.85 +ATOM 1547 CB GLN 99 62.412 66.476 46.811 1.00 4.85 +ATOM 1550 CG GLN 99 60.952 66.019 46.579 1.00 4.85 +ATOM 1553 CD GLN 99 59.941 66.948 47.253 1.00 4.85 +ATOM 1554 OE1 GLN 99 60.081 68.164 47.198 1.00 4.85 +ATOM 1555 NE2 GLN 99 58.920 66.449 47.914 1.00 4.85 +ATOM 1558 C GLN 99 64.841 65.800 46.705 1.00 4.85 +ATOM 1559 O GLN 99 65.260 65.724 45.558 1.00 4.85 +ATOM 1560 N GLU 100 65.632 66.199 47.703 1.00 3.69 +ATOM 1562 CA GLU 100 67.086 66.401 47.562 1.00 3.69 +ATOM 1564 CB GLU 100 67.672 66.852 48.912 1.00 3.69 +ATOM 1567 CG GLU 100 69.113 67.368 48.834 1.00 3.69 +ATOM 1570 CD GLU 100 69.838 67.180 50.178 1.00 3.69 +ATOM 1571 OE1 GLU 100 69.199 67.402 51.233 1.00 3.69 +ATOM 1572 OE2 GLU 100 71.025 66.787 50.129 1.00 3.69 +ATOM 1573 C GLU 100 67.783 65.118 47.085 1.00 3.69 +ATOM 1574 O GLU 100 68.553 65.107 46.112 1.00 3.69 +ATOM 1575 N LEU 101 67.429 63.996 47.719 1.00 4.73 +ATOM 1577 CA LEU 101 67.944 62.708 47.278 1.00 4.73 +ATOM 1579 CB LEU 101 67.684 61.606 48.315 1.00 4.73 +ATOM 1582 CG LEU 101 68.242 61.844 49.731 1.00 4.73 +ATOM 1584 CD1 LEU 101 68.259 60.507 50.473 1.00 4.73 +ATOM 1588 CD2 LEU 101 69.669 62.399 49.759 1.00 4.73 +ATOM 1592 C LEU 101 67.457 62.320 45.874 1.00 4.73 +ATOM 1593 O LEU 101 68.232 61.749 45.114 1.00 4.73 +ATOM 1594 N ALA 102 66.229 62.668 45.483 1.00 6.01 +ATOM 1596 CA ALA 102 65.698 62.423 44.145 1.00 6.01 +ATOM 1598 CB ALA 102 64.188 62.691 44.134 1.00 6.01 +ATOM 1602 C ALA 102 66.422 63.247 43.085 1.00 6.01 +ATOM 1603 O ALA 102 66.688 62.738 42.000 1.00 6.01 +ATOM 1604 N VAL 103 66.788 64.494 43.373 1.00 5.36 +ATOM 1606 CA VAL 103 67.580 65.304 42.449 1.00 5.36 +ATOM 1608 CB VAL 103 67.482 66.814 42.745 1.00 5.36 +ATOM 1610 CG1 VAL 103 66.023 67.285 42.656 1.00 5.36 +ATOM 1614 CG2 VAL 103 68.067 67.291 44.063 1.00 5.36 +ATOM 1618 C VAL 103 69.023 64.805 42.344 1.00 5.36 +ATOM 1619 O VAL 103 69.622 64.908 41.273 1.00 5.36 +ATOM 1620 N LEU 104 69.577 64.181 43.390 1.00 7.47 +ATOM 1622 CA LEU 104 70.845 63.450 43.274 1.00 7.47 +ATOM 1624 CB LEU 104 71.363 63.139 44.699 1.00 7.47 +ATOM 1627 CG LEU 104 72.838 62.707 44.859 1.00 7.47 +ATOM 1629 CD1 LEU 104 73.133 61.290 44.363 1.00 7.47 +ATOM 1633 CD2 LEU 104 73.811 63.671 44.175 1.00 7.47 +ATOM 1637 C LEU 104 70.724 62.195 42.382 1.00 7.47 +ATOM 1638 O LEU 104 71.477 62.059 41.420 1.00 7.47 +ATOM 1639 N VAL 105 69.763 61.309 42.667 1.00 9.48 +ATOM 1641 CA VAL 105 69.683 59.945 42.105 1.00 9.48 +ATOM 1643 CB VAL 105 69.001 58.981 43.101 1.00 9.48 +ATOM 1645 CG1 VAL 105 68.653 57.610 42.508 1.00 9.48 +ATOM 1649 CG2 VAL 105 69.953 58.727 44.280 1.00 9.48 +ATOM 1653 C VAL 105 69.061 59.879 40.712 1.00 9.48 +ATOM 1654 O VAL 105 69.640 59.267 39.818 1.00 9.48 +ATOM 1655 N SER 106 67.946 60.573 40.477 1.00 9.71 +ATOM 1657 CA SER 106 67.483 60.866 39.112 1.00 9.71 +ATOM 1659 CB SER 106 65.998 61.256 39.077 1.00 9.71 +ATOM 1662 OG SER 106 65.776 62.564 39.571 1.00 9.71 +ATOM 1664 C SER 106 68.335 61.925 38.420 1.00 9.71 +ATOM 1665 O SER 106 68.230 62.082 37.205 1.00 9.71 +ATOM 1666 N GLY 107 69.157 62.685 39.163 1.00 9.81 +ATOM 1668 CA GLY 107 70.125 63.621 38.597 1.00 9.81 +ATOM 1671 C GLY 107 69.522 64.886 37.962 1.00 9.81 +ATOM 1672 O GLY 107 70.214 65.894 37.804 1.00 9.81 +ATOM 1673 N GLN 108 68.219 64.869 37.688 1.00 8.31 +ATOM 1675 CA GLN 108 67.310 66.003 37.524 1.00 8.31 +ATOM 1677 CB GLN 108 65.918 65.371 37.254 1.00 8.31 +ATOM 1680 CG GLN 108 64.619 66.126 37.589 1.00 8.31 +ATOM 1683 CD GLN 108 64.285 66.195 39.081 1.00 8.31 +ATOM 1684 OE1 GLN 108 63.997 67.250 39.616 1.00 8.31 +ATOM 1685 NE2 GLN 108 64.326 65.112 39.825 1.00 8.31 +ATOM 1688 C GLN 108 67.394 67.001 38.699 1.00 8.31 +ATOM 1689 O GLN 108 68.041 66.737 39.706 1.00 8.31 +ATOM 1690 N LYS 109 66.769 68.175 38.588 1.00 7.20 +ATOM 1692 CA LYS 109 66.542 69.120 39.696 1.00 7.20 +ATOM 1694 CB LYS 109 67.622 70.228 39.733 1.00 7.20 +ATOM 1697 CG LYS 109 68.993 69.816 40.293 1.00 7.20 +ATOM 1700 CD LYS 109 70.009 69.350 39.238 1.00 7.20 +ATOM 1703 CE LYS 109 71.158 68.590 39.914 1.00 7.20 +ATOM 1706 NZ LYS 109 70.796 67.171 40.139 1.00 7.20 +ATOM 1710 C LYS 109 65.174 69.797 39.490 1.00 7.20 +ATOM 1711 O LYS 109 64.400 69.584 38.557 1.00 7.20 +TER +END +PFRMAT TS +TARGET T0759 +MODEL 4 +PARENT 1lm7_A 1lm5_A 1lm5_B +ATOM 1 N MET 1 57.412 63.788 37.755 1.00 6.45 +ATOM 2 CA MET 1 58.264 64.405 38.769 1.00 6.45 +ATOM 4 CB MET 1 57.728 65.808 39.106 1.00 6.45 +ATOM 7 CG MET 1 57.871 66.797 37.944 1.00 6.45 +ATOM 10 SD MET 1 59.580 67.264 37.540 1.00 6.45 +ATOM 11 CE MET 1 59.976 68.354 38.934 1.00 6.45 +ATOM 15 C MET 1 58.380 63.588 40.063 1.00 6.45 +ATOM 16 O MET 1 57.467 62.873 40.477 1.00 6.45 +ATOM 17 N GLY 2 59.482 63.808 40.793 1.00 5.54 +ATOM 19 CA GLY 2 59.683 63.248 42.136 1.00 5.54 +ATOM 22 C GLY 2 58.500 63.484 43.083 1.00 5.54 +ATOM 23 O GLY 2 58.003 62.537 43.690 1.00 5.54 +ATOM 24 N HIS 3 57.982 64.721 43.142 1.00 4.41 +ATOM 26 CA HIS 3 56.777 65.017 43.928 1.00 4.41 +ATOM 28 CB HIS 3 56.354 66.490 43.830 1.00 4.41 +ATOM 31 CG HIS 3 55.150 66.742 44.706 1.00 4.41 +ATOM 32 ND1 HIS 3 55.191 66.847 46.096 1.00 4.41 +ATOM 33 CE1 HIS 3 53.915 66.772 46.507 1.00 4.41 +ATOM 35 NE2 HIS 3 53.087 66.635 45.457 1.00 4.41 +ATOM 37 CD2 HIS 3 53.848 66.618 44.308 1.00 4.41 +ATOM 39 C HIS 3 55.607 64.100 43.564 1.00 4.41 +ATOM 40 O HIS 3 55.022 63.488 44.455 1.00 4.41 +ATOM 41 N HIS 4 55.318 63.955 42.266 1.00 4.38 +ATOM 43 CA HIS 4 54.263 63.068 41.781 1.00 4.38 +ATOM 45 CB HIS 4 54.172 63.097 40.244 1.00 4.38 +ATOM 48 CG HIS 4 54.060 64.468 39.606 1.00 4.38 +ATOM 49 ND1 HIS 4 53.691 65.665 40.235 1.00 4.38 +ATOM 50 CE1 HIS 4 53.725 66.610 39.284 1.00 4.38 +ATOM 52 NE2 HIS 4 54.100 66.082 38.107 1.00 4.38 +ATOM 54 CD2 HIS 4 54.313 64.734 38.292 1.00 4.38 +ATOM 56 C HIS 4 54.479 61.654 42.329 1.00 4.38 +ATOM 57 O HIS 4 53.572 61.116 42.965 1.00 4.38 +ATOM 58 N HIS 5 55.704 61.113 42.214 1.00 4.66 +ATOM 60 CA HIS 5 56.041 59.778 42.740 1.00 4.66 +ATOM 62 CB HIS 5 57.533 59.489 42.477 1.00 4.66 +ATOM 65 CG HIS 5 58.003 58.112 42.873 1.00 4.66 +ATOM 66 ND1 HIS 5 58.486 57.148 41.988 1.00 4.66 +ATOM 67 CE1 HIS 5 58.810 56.087 42.737 1.00 4.66 +ATOM 69 NE2 HIS 5 58.572 56.336 44.037 1.00 4.66 +ATOM 71 CD2 HIS 5 58.083 57.618 44.145 1.00 4.66 +ATOM 73 C HIS 5 55.691 59.651 44.229 1.00 4.66 +ATOM 74 O HIS 5 55.053 58.682 44.646 1.00 4.66 +ATOM 75 N HIS 6 56.037 60.663 45.028 1.00 4.67 +ATOM 77 CA HIS 6 55.756 60.633 46.462 1.00 4.67 +ATOM 79 CB HIS 6 56.485 61.786 47.160 1.00 4.67 +ATOM 82 CG HIS 6 57.986 61.641 47.148 1.00 4.67 +ATOM 83 ND1 HIS 6 58.687 60.438 47.019 1.00 4.67 +ATOM 84 CE1 HIS 6 59.982 60.752 47.140 1.00 4.67 +ATOM 86 NE2 HIS 6 60.128 62.073 47.340 1.00 4.67 +ATOM 88 CD2 HIS 6 58.878 62.652 47.347 1.00 4.67 +ATOM 90 C HIS 6 54.252 60.665 46.760 1.00 4.67 +ATOM 91 O HIS 6 53.762 59.886 47.588 1.00 4.67 +ATOM 92 N HIS 7 53.498 61.495 46.027 1.00 4.65 +ATOM 94 CA HIS 7 52.036 61.548 46.127 1.00 4.65 +ATOM 96 CB HIS 7 51.502 62.699 45.260 1.00 4.65 +ATOM 99 CG HIS 7 50.026 62.968 45.431 1.00 4.65 +ATOM 100 ND1 HIS 7 49.459 64.001 46.187 1.00 4.65 +ATOM 101 CE1 HIS 7 48.131 63.867 46.045 1.00 4.65 +ATOM 103 NE2 HIS 7 47.842 62.832 45.238 1.00 4.65 +ATOM 105 CD2 HIS 7 49.026 62.255 44.837 1.00 4.65 +ATOM 107 C HIS 7 51.412 60.185 45.774 1.00 4.65 +ATOM 108 O HIS 7 50.383 59.783 46.331 1.00 4.65 +ATOM 109 N HIS 8 52.086 59.400 44.928 1.00 4.86 +ATOM 111 CA HIS 8 51.628 58.078 44.524 1.00 4.86 +ATOM 113 CB HIS 8 52.338 57.659 43.228 1.00 4.86 +ATOM 116 CG HIS 8 51.574 56.628 42.438 1.00 4.86 +ATOM 117 ND1 HIS 8 50.558 56.892 41.512 1.00 4.86 +ATOM 118 CE1 HIS 8 50.174 55.699 41.039 1.00 4.86 +ATOM 120 NE2 HIS 8 50.863 54.718 41.642 1.00 4.86 +ATOM 122 CD2 HIS 8 51.753 55.281 42.523 1.00 4.86 +ATOM 124 C HIS 8 51.717 57.012 45.629 1.00 4.86 +ATOM 125 O HIS 8 51.154 55.934 45.470 1.00 4.86 +ATOM 126 N SER 9 52.301 57.313 46.797 1.00 3.43 +ATOM 128 CA SER 9 52.084 56.502 48.013 1.00 3.43 +ATOM 130 CB SER 9 52.849 57.126 49.188 1.00 3.43 +ATOM 133 OG SER 9 52.387 58.433 49.459 1.00 3.43 +ATOM 135 C SER 9 50.614 56.368 48.413 1.00 3.43 +ATOM 136 O SER 9 50.271 55.405 49.090 1.00 3.43 +ATOM 137 N HIS 10 49.746 57.286 47.965 1.00 2.37 +ATOM 139 CA HIS 10 48.297 57.212 48.190 1.00 2.37 +ATOM 141 CB HIS 10 47.735 58.648 48.302 1.00 2.37 +ATOM 144 CG HIS 10 48.303 59.486 49.435 1.00 2.37 +ATOM 145 ND1 HIS 10 47.610 59.883 50.588 1.00 2.37 +ATOM 146 CE1 HIS 10 48.475 60.623 51.305 1.00 2.37 +ATOM 148 NE2 HIS 10 49.660 60.698 50.682 1.00 2.37 +ATOM 150 CD2 HIS 10 49.566 60.004 49.500 1.00 2.37 +ATOM 152 C HIS 10 47.536 56.392 47.160 1.00 2.37 +ATOM 153 O HIS 10 46.330 56.184 47.273 1.00 2.37 +ATOM 154 N MET 11 48.264 55.903 46.168 1.00 4.22 +ATOM 156 CA MET 11 47.842 54.973 45.141 1.00 4.22 +ATOM 158 CB MET 11 47.853 55.702 43.781 1.00 4.22 +ATOM 161 CG MET 11 47.029 56.998 43.755 1.00 4.22 +ATOM 164 SD MET 11 45.260 56.798 44.105 1.00 4.22 +ATOM 165 CE MET 11 44.871 58.486 44.633 1.00 4.22 +ATOM 169 C MET 11 48.802 53.793 45.205 1.00 4.22 +ATOM 170 O MET 11 49.445 53.500 46.207 1.00 4.22 +ATOM 171 N VAL 12 48.798 53.001 44.166 1.00 2.60 +ATOM 173 CA VAL 12 49.171 51.600 44.235 1.00 2.60 +ATOM 175 CB VAL 12 47.895 50.839 43.897 1.00 2.60 +ATOM 177 CG1 VAL 12 47.421 50.960 42.442 1.00 2.60 +ATOM 181 CG2 VAL 12 48.024 49.389 44.284 1.00 2.60 +ATOM 185 C VAL 12 50.219 51.337 43.177 1.00 2.60 +ATOM 186 O VAL 12 50.296 52.069 42.187 1.00 2.60 +ATOM 187 N VAL 13 50.983 50.266 43.319 1.00 2.71 +ATOM 189 CA VAL 13 51.834 49.857 42.213 1.00 2.71 +ATOM 191 CB VAL 13 53.130 49.209 42.727 1.00 2.71 +ATOM 193 CG1 VAL 13 54.142 49.046 41.585 1.00 2.71 +ATOM 197 CG2 VAL 13 53.800 50.061 43.823 1.00 2.71 +ATOM 201 C VAL 13 51.046 48.912 41.309 1.00 2.71 +ATOM 202 O VAL 13 50.352 48.004 41.762 1.00 2.71 +ATOM 203 N ILE 14 51.141 49.153 40.011 1.00 2.38 +ATOM 205 CA ILE 14 50.601 48.286 38.970 1.00 2.38 +ATOM 207 CB ILE 14 50.528 49.129 37.667 1.00 2.38 +ATOM 209 CG2 ILE 14 50.265 48.321 36.383 1.00 2.38 +ATOM 213 CG1 ILE 14 49.454 50.236 37.821 1.00 2.38 +ATOM 216 CD1 ILE 14 49.400 51.233 36.655 1.00 2.38 +ATOM 220 C ILE 14 51.533 47.092 38.811 1.00 2.38 +ATOM 221 O ILE 14 52.712 47.296 38.519 1.00 2.38 +ATOM 222 N HIS 15 51.045 45.860 38.989 1.00 2.45 +ATOM 224 CA HIS 15 51.869 44.704 38.618 1.00 2.45 +ATOM 226 CB HIS 15 51.408 43.433 39.330 1.00 2.45 +ATOM 229 CG HIS 15 52.479 42.373 39.277 1.00 2.45 +ATOM 230 ND1 HIS 15 52.959 41.822 38.098 1.00 2.45 +ATOM 231 CE1 HIS 15 53.921 40.956 38.442 1.00 2.45 +ATOM 233 NE2 HIS 15 54.068 40.937 39.776 1.00 2.45 +ATOM 235 CD2 HIS 15 53.164 41.823 40.325 1.00 2.45 +ATOM 237 C HIS 15 51.934 44.547 37.098 1.00 2.45 +ATOM 238 O HIS 15 50.874 44.450 36.482 1.00 2.45 +ATOM 239 N PRO 16 53.130 44.521 36.476 1.00 2.97 +ATOM 240 CD PRO 16 54.442 44.749 37.068 1.00 2.97 +ATOM 243 CG PRO 16 55.391 45.048 35.913 1.00 2.97 +ATOM 246 CB PRO 16 54.778 44.248 34.773 1.00 2.97 +ATOM 249 CA PRO 16 53.273 44.354 35.039 1.00 2.97 +ATOM 251 C PRO 16 52.545 43.162 34.398 1.00 2.97 +ATOM 252 O PRO 16 52.302 43.226 33.196 1.00 2.97 +ATOM 253 N ASP 17 52.213 42.086 35.132 1.00 3.20 +ATOM 255 CA ASP 17 51.681 40.865 34.506 1.00 3.20 +ATOM 257 CB ASP 17 52.304 39.567 35.091 1.00 3.20 +ATOM 260 CG ASP 17 51.598 38.888 36.273 1.00 3.20 +ATOM 261 OD1 ASP 17 50.513 38.301 36.102 1.00 3.20 +ATOM 262 OD2 ASP 17 52.104 38.924 37.417 1.00 3.20 +ATOM 263 C ASP 17 50.158 40.834 34.243 1.00 3.20 +ATOM 264 O ASP 17 49.765 40.288 33.212 1.00 3.20 +ATOM 265 N PRO 18 49.298 41.504 35.044 1.00 3.11 +ATOM 266 CD PRO 18 49.218 41.228 36.461 1.00 3.11 +ATOM 269 CG PRO 18 47.993 40.305 36.575 1.00 3.11 +ATOM 272 CB PRO 18 47.123 40.615 35.364 1.00 3.11 +ATOM 275 CA PRO 18 47.902 41.726 34.659 1.00 3.11 +ATOM 277 C PRO 18 47.361 43.122 34.999 1.00 3.11 +ATOM 278 O PRO 18 46.156 43.328 35.144 1.00 3.11 +ATOM 279 N GLY 19 48.248 44.085 35.225 1.00 2.74 +ATOM 281 CA GLY 19 47.946 45.453 35.640 1.00 2.74 +ATOM 284 C GLY 19 47.506 45.621 37.109 1.00 2.74 +ATOM 285 O GLY 19 47.910 46.585 37.754 1.00 2.74 +ATOM 286 N ARG 20 46.735 44.660 37.649 1.00 2.43 +ATOM 288 CA ARG 20 46.575 44.285 39.079 1.00 2.43 +ATOM 290 CB ARG 20 47.237 42.888 39.202 1.00 2.43 +ATOM 293 CG ARG 20 47.187 42.162 40.563 1.00 2.43 +ATOM 296 CD ARG 20 48.377 41.196 40.795 1.00 2.43 +ATOM 299 NE ARG 20 48.417 40.000 39.918 1.00 2.43 +ATOM 301 CZ ARG 20 49.493 39.433 39.377 1.00 2.43 +ATOM 302 NH1 ARG 20 49.403 38.376 38.625 1.00 2.43 +ATOM 305 NH2 ARG 20 50.689 39.905 39.531 1.00 2.43 +ATOM 308 C ARG 20 47.200 45.269 40.079 1.00 2.43 +ATOM 309 O ARG 20 48.402 45.239 40.348 1.00 2.43 +ATOM 310 N GLU 21 46.336 46.094 40.661 1.00 2.20 +ATOM 312 CA GLU 21 46.619 47.038 41.746 1.00 2.20 +ATOM 314 CB GLU 21 45.337 47.822 41.994 1.00 2.20 +ATOM 317 CG GLU 21 44.919 48.658 40.775 1.00 2.20 +ATOM 320 CD GLU 21 44.037 49.828 41.206 1.00 2.20 +ATOM 321 OE1 GLU 21 44.066 50.888 40.548 1.00 2.20 +ATOM 322 OE2 GLU 21 43.441 49.767 42.301 1.00 2.20 +ATOM 323 C GLU 21 47.078 46.318 43.029 1.00 2.20 +ATOM 324 O GLU 21 46.295 45.717 43.776 1.00 2.20 +ATOM 325 N LEU 22 48.372 46.429 43.309 1.00 1.99 +ATOM 327 CA LEU 22 49.051 45.875 44.467 1.00 1.99 +ATOM 329 CB LEU 22 50.215 45.010 43.943 1.00 1.99 +ATOM 332 CG LEU 22 49.839 43.673 43.284 1.00 1.99 +ATOM 334 CD1 LEU 22 51.118 42.855 43.099 1.00 1.99 +ATOM 338 CD2 LEU 22 48.866 42.812 44.089 1.00 1.99 +ATOM 342 C LEU 22 49.601 46.954 45.407 1.00 1.99 +ATOM 343 O LEU 22 50.388 47.819 44.999 1.00 1.99 +ATOM 344 N SER 23 49.195 46.913 46.686 1.00 1.86 +ATOM 346 CA SER 23 49.705 47.871 47.671 1.00 1.86 +ATOM 348 CB SER 23 49.087 47.744 49.069 1.00 1.86 +ATOM 351 OG SER 23 49.654 46.678 49.785 1.00 1.86 +ATOM 353 C SER 23 51.229 47.898 47.730 1.00 1.86 +ATOM 354 O SER 23 51.869 46.929 47.321 1.00 1.86 +ATOM 355 N PRO 24 51.851 48.992 48.200 1.00 2.44 +ATOM 356 CD PRO 24 51.275 50.286 48.534 1.00 2.44 +ATOM 359 CG PRO 24 52.446 51.267 48.475 1.00 2.44 +ATOM 362 CB PRO 24 53.627 50.402 48.914 1.00 2.44 +ATOM 365 CA PRO 24 53.299 49.081 48.220 1.00 2.44 +ATOM 367 C PRO 24 54.040 47.875 48.827 1.00 2.44 +ATOM 368 O PRO 24 55.109 47.490 48.357 1.00 2.44 +ATOM 369 N GLU 25 53.437 47.233 49.827 1.00 2.43 +ATOM 371 CA GLU 25 53.950 46.003 50.432 1.00 2.43 +ATOM 373 CB GLU 25 53.227 45.781 51.777 1.00 2.43 +ATOM 376 CG GLU 25 54.117 45.139 52.853 1.00 2.43 +ATOM 379 CD GLU 25 53.673 43.727 53.225 1.00 2.43 +ATOM 380 OE1 GLU 25 52.598 43.566 53.837 1.00 2.43 +ATOM 381 OE2 GLU 25 54.390 42.757 52.894 1.00 2.43 +ATOM 382 C GLU 25 53.860 44.776 49.516 1.00 2.43 +ATOM 383 O GLU 25 54.792 43.982 49.432 1.00 2.43 +ATOM 384 N GLU 26 52.778 44.667 48.748 1.00 2.45 +ATOM 386 CA GLU 26 52.573 43.658 47.713 1.00 2.45 +ATOM 388 CB GLU 26 51.094 43.719 47.249 1.00 2.45 +ATOM 391 CG GLU 26 50.000 43.425 48.306 1.00 2.45 +ATOM 394 CD GLU 26 48.611 44.017 47.942 1.00 2.45 +ATOM 395 OE1 GLU 26 48.149 44.979 48.591 1.00 2.45 +ATOM 396 OE2 GLU 26 47.955 43.602 46.967 1.00 2.45 +ATOM 397 C GLU 26 53.576 43.821 46.549 1.00 2.45 +ATOM 398 O GLU 26 54.121 42.841 46.040 1.00 2.45 +ATOM 399 N ALA 27 53.878 45.066 46.172 1.00 2.81 +ATOM 401 CA ALA 27 54.897 45.415 45.181 1.00 2.81 +ATOM 403 CB ALA 27 54.814 46.920 44.934 1.00 2.81 +ATOM 407 C ALA 27 56.304 44.988 45.628 1.00 2.81 +ATOM 408 O ALA 27 57.015 44.294 44.893 1.00 2.81 +ATOM 409 N HIS 28 56.672 45.343 46.864 1.00 3.02 +ATOM 411 CA HIS 28 57.922 44.902 47.497 1.00 3.02 +ATOM 413 CB HIS 28 57.999 45.505 48.922 1.00 3.02 +ATOM 416 CG HIS 28 58.608 44.599 49.968 1.00 3.02 +ATOM 417 ND1 HIS 28 59.969 44.347 50.125 1.00 3.02 +ATOM 418 CE1 HIS 28 60.061 43.302 50.958 1.00 3.02 +ATOM 420 NE2 HIS 28 58.837 42.911 51.358 1.00 3.02 +ATOM 422 CD2 HIS 28 57.908 43.726 50.751 1.00 3.02 +ATOM 424 C HIS 28 58.073 43.375 47.501 1.00 3.02 +ATOM 425 O HIS 28 59.095 42.868 47.044 1.00 3.02 +ATOM 426 N ARG 29 57.028 42.636 47.913 1.00 3.04 +ATOM 428 CA ARG 29 57.012 41.160 47.851 1.00 3.04 +ATOM 430 CB ARG 29 55.657 40.608 48.338 1.00 3.04 +ATOM 433 CG ARG 29 55.325 40.765 49.831 1.00 3.04 +ATOM 436 CD ARG 29 53.842 40.408 50.036 1.00 3.04 +ATOM 439 NE ARG 29 53.337 40.790 51.364 1.00 3.04 +ATOM 441 CZ ARG 29 52.077 40.837 51.753 1.00 3.04 +ATOM 442 NH1 ARG 29 51.763 41.181 52.953 1.00 3.04 +ATOM 445 NH2 ARG 29 51.069 40.582 50.966 1.00 3.04 +ATOM 448 C ARG 29 57.241 40.633 46.435 1.00 3.04 +ATOM 449 O ARG 29 57.894 39.607 46.275 1.00 3.04 +ATOM 450 N ALA 30 56.680 41.303 45.424 1.00 3.38 +ATOM 452 CA ALA 30 56.829 40.929 44.015 1.00 3.38 +ATOM 454 CB ALA 30 55.589 41.444 43.268 1.00 3.38 +ATOM 458 C ALA 30 58.131 41.454 43.377 1.00 3.38 +ATOM 459 O ALA 30 58.319 41.277 42.174 1.00 3.38 +ATOM 460 N GLY 31 59.000 42.119 44.146 1.00 3.75 +ATOM 462 CA GLY 31 60.290 42.630 43.688 1.00 3.75 +ATOM 465 C GLY 31 60.217 43.863 42.785 1.00 3.75 +ATOM 466 O GLY 31 61.224 44.235 42.185 1.00 3.75 +ATOM 467 N LEU 32 59.041 44.486 42.664 1.00 3.67 +ATOM 469 CA LEU 32 58.803 45.579 41.716 1.00 3.67 +ATOM 471 CB LEU 32 57.311 45.598 41.351 1.00 3.67 +ATOM 474 CG LEU 32 56.820 44.352 40.594 1.00 3.67 +ATOM 476 CD1 LEU 32 55.316 44.496 40.393 1.00 3.67 +ATOM 480 CD2 LEU 32 57.483 44.185 39.223 1.00 3.67 +ATOM 484 C LEU 32 59.223 46.966 42.220 1.00 3.67 +ATOM 485 O LEU 32 59.305 47.902 41.424 1.00 3.67 +ATOM 486 N ILE 33 59.505 47.100 43.515 1.00 3.59 +ATOM 488 CA ILE 33 60.131 48.283 44.105 1.00 3.59 +ATOM 490 CB ILE 33 59.112 49.244 44.763 1.00 3.59 +ATOM 492 CG2 ILE 33 58.208 49.872 43.688 1.00 3.59 +ATOM 496 CG1 ILE 33 58.281 48.589 45.889 1.00 3.59 +ATOM 499 CD1 ILE 33 57.348 49.574 46.608 1.00 3.59 +ATOM 503 C ILE 33 61.207 47.831 45.091 1.00 3.59 +ATOM 504 O ILE 33 61.065 46.792 45.736 1.00 3.59 +ATOM 505 N ASP 34 62.293 48.603 45.185 1.00 4.11 +ATOM 507 CA ASP 34 63.357 48.348 46.156 1.00 4.11 +ATOM 509 CB ASP 34 64.519 49.350 45.976 1.00 4.11 +ATOM 512 CG ASP 34 65.280 49.703 47.267 1.00 4.11 +ATOM 513 OD1 ASP 34 65.192 50.882 47.654 1.00 4.11 +ATOM 514 OD2 ASP 34 65.868 48.825 47.943 1.00 4.11 +ATOM 515 C ASP 34 62.798 48.303 47.577 1.00 4.11 +ATOM 516 O ASP 34 61.876 49.049 47.922 1.00 4.11 +ATOM 517 N TRP 35 63.367 47.430 48.409 1.00 3.53 +ATOM 519 CA TRP 35 62.962 47.327 49.798 1.00 3.53 +ATOM 521 CB TRP 35 63.689 46.178 50.509 1.00 3.53 +ATOM 524 CG TRP 35 63.217 45.937 51.916 1.00 3.53 +ATOM 525 CD1 TRP 35 61.921 45.896 52.296 1.00 3.53 +ATOM 527 NE1 TRP 35 61.828 45.749 53.662 1.00 3.53 +ATOM 529 CE2 TRP 35 63.074 45.646 54.239 1.00 3.53 +ATOM 530 CZ2 TRP 35 63.500 45.484 55.566 1.00 3.53 +ATOM 532 CH2 TRP 35 64.876 45.388 55.836 1.00 3.53 +ATOM 534 CZ3 TRP 35 65.802 45.483 54.783 1.00 3.53 +ATOM 536 CE3 TRP 35 65.364 45.670 53.456 1.00 3.53 +ATOM 538 CD2 TRP 35 63.989 45.752 53.144 1.00 3.53 +ATOM 539 C TRP 35 63.124 48.649 50.560 1.00 3.53 +ATOM 540 O TRP 35 62.286 48.997 51.393 1.00 3.53 +ATOM 541 N ASN 36 64.174 49.418 50.263 1.00 3.84 +ATOM 543 CA ASN 36 64.436 50.686 50.938 1.00 3.84 +ATOM 545 CB ASN 36 65.925 51.028 50.853 1.00 3.84 +ATOM 548 CG ASN 36 66.734 49.888 51.439 1.00 3.84 +ATOM 549 OD1 ASN 36 66.776 49.709 52.657 1.00 3.84 +ATOM 550 ND2 ASN 36 67.305 49.054 50.599 1.00 3.84 +ATOM 553 C ASN 36 63.462 51.792 50.493 1.00 3.84 +ATOM 554 O ASN 36 62.910 52.493 51.346 1.00 3.84 +ATOM 555 N MET 37 63.143 51.869 49.196 1.00 3.82 +ATOM 557 CA MET 37 62.065 52.700 48.652 1.00 3.82 +ATOM 559 CB MET 37 61.933 52.513 47.130 1.00 3.82 +ATOM 562 CG MET 37 63.069 53.145 46.328 1.00 3.82 +ATOM 565 SD MET 37 62.868 52.916 44.540 1.00 3.82 +ATOM 566 CE MET 37 64.539 53.361 44.002 1.00 3.82 +ATOM 570 C MET 37 60.712 52.403 49.302 1.00 3.82 +ATOM 571 O MET 37 60.046 53.313 49.802 1.00 3.82 +ATOM 572 N PHE 38 60.333 51.125 49.342 1.00 3.16 +ATOM 574 CA PHE 38 59.136 50.635 50.018 1.00 3.16 +ATOM 576 CB PHE 38 59.110 49.101 49.917 1.00 3.16 +ATOM 579 CG PHE 38 58.235 48.460 50.969 1.00 3.16 +ATOM 580 CD1 PHE 38 56.841 48.587 50.891 1.00 3.16 +ATOM 582 CE1 PHE 38 56.039 48.122 51.946 1.00 3.16 +ATOM 584 CZ PHE 38 56.627 47.544 53.083 1.00 3.16 +ATOM 586 CE2 PHE 38 58.023 47.421 53.161 1.00 3.16 +ATOM 588 CD2 PHE 38 58.825 47.869 52.100 1.00 3.16 +ATOM 590 C PHE 38 59.045 51.092 51.473 1.00 3.16 +ATOM 591 O PHE 38 58.028 51.661 51.890 1.00 3.16 +ATOM 592 N VAL 39 60.117 50.880 52.240 1.00 2.75 +ATOM 594 CA VAL 39 60.148 51.283 53.643 1.00 2.75 +ATOM 596 CB VAL 39 61.436 50.806 54.346 1.00 2.75 +ATOM 598 CG1 VAL 39 61.649 51.453 55.722 1.00 2.75 +ATOM 602 CG2 VAL 39 61.352 49.291 54.572 1.00 2.75 +ATOM 606 C VAL 39 59.954 52.788 53.799 1.00 2.75 +ATOM 607 O VAL 39 59.177 53.217 54.662 1.00 2.75 +ATOM 608 N LYS 40 60.596 53.606 52.952 1.00 3.43 +ATOM 610 CA LYS 40 60.458 55.067 53.050 1.00 3.43 +ATOM 612 CB LYS 40 61.578 55.793 52.284 1.00 3.43 +ATOM 615 CG LYS 40 62.979 55.608 52.910 1.00 3.43 +ATOM 618 CD LYS 40 63.048 55.948 54.410 1.00 3.43 +ATOM 621 CE LYS 40 64.488 55.933 54.930 1.00 3.43 +ATOM 624 NZ LYS 40 64.511 56.082 56.404 1.00 3.43 +ATOM 628 C LYS 40 59.059 55.597 52.732 1.00 3.43 +ATOM 629 O LYS 40 58.531 56.398 53.512 1.00 3.43 +ATOM 630 N LEU 41 58.436 55.041 51.689 1.00 3.23 +ATOM 632 CA LEU 41 57.014 55.266 51.400 1.00 3.23 +ATOM 634 CB LEU 41 56.579 54.399 50.192 1.00 3.23 +ATOM 637 CG LEU 41 57.168 54.815 48.826 1.00 3.23 +ATOM 639 CD1 LEU 41 57.101 53.637 47.851 1.00 3.23 +ATOM 643 CD2 LEU 41 56.391 55.974 48.201 1.00 3.23 +ATOM 647 C LEU 41 56.150 54.975 52.634 1.00 3.23 +ATOM 648 O LEU 41 55.465 55.846 53.175 1.00 3.23 +ATOM 649 N ARG 42 56.213 53.727 53.107 1.00 2.40 +ATOM 651 CA ARG 42 55.367 53.290 54.219 1.00 2.40 +ATOM 653 CB ARG 42 55.411 51.776 54.372 1.00 2.40 +ATOM 656 CG ARG 42 54.804 50.981 53.200 1.00 2.40 +ATOM 659 CD ARG 42 53.303 51.199 52.941 1.00 2.40 +ATOM 662 NE ARG 42 53.004 52.415 52.154 1.00 2.40 +ATOM 664 CZ ARG 42 51.816 52.797 51.703 1.00 2.40 +ATOM 665 NH1 ARG 42 51.706 53.922 51.057 1.00 2.40 +ATOM 668 NH2 ARG 42 50.714 52.121 51.887 1.00 2.40 +ATOM 671 C ARG 42 55.571 54.034 55.538 1.00 2.40 +ATOM 672 O ARG 42 54.605 54.200 56.279 1.00 2.40 +ATOM 673 N SER 43 56.774 54.549 55.782 1.00 3.06 +ATOM 675 CA SER 43 57.037 55.475 56.890 1.00 3.06 +ATOM 677 CB SER 43 58.536 55.653 57.102 1.00 3.06 +ATOM 680 OG SER 43 59.192 54.410 57.273 1.00 3.06 +ATOM 682 C SER 43 56.294 56.802 56.694 1.00 3.06 +ATOM 683 O SER 43 55.447 57.135 57.530 1.00 3.06 +ATOM 684 N GLN 44 56.479 57.470 55.540 1.00 3.32 +ATOM 686 CA GLN 44 55.684 58.664 55.183 1.00 3.32 +ATOM 688 CB GLN 44 56.528 59.801 54.581 1.00 3.32 +ATOM 691 CG GLN 44 57.200 60.592 55.725 1.00 3.32 +ATOM 694 CD GLN 44 57.875 61.875 55.261 1.00 3.32 +ATOM 695 OE1 GLN 44 59.061 61.892 54.953 1.00 3.32 +ATOM 696 NE2 GLN 44 57.176 62.990 55.215 1.00 3.32 +ATOM 699 C GLN 44 54.378 58.321 54.449 1.00 3.32 +ATOM 700 O GLN 44 54.028 58.779 53.363 1.00 3.32 +ATOM 701 N GLU 45 53.669 57.460 55.157 1.00 2.59 +ATOM 703 CA GLU 45 52.257 57.108 55.056 1.00 2.59 +ATOM 705 CB GLU 45 52.215 55.879 54.133 1.00 2.59 +ATOM 708 CG GLU 45 50.872 55.166 54.069 1.00 2.59 +ATOM 711 CD GLU 45 49.887 55.891 53.169 1.00 2.59 +ATOM 712 OE1 GLU 45 49.337 55.240 52.248 1.00 2.59 +ATOM 713 OE2 GLU 45 49.668 57.101 53.383 1.00 2.59 +ATOM 714 C GLU 45 51.697 56.742 56.443 1.00 2.59 +ATOM 715 O GLU 45 50.502 56.923 56.718 1.00 2.59 +ATOM 716 N CYS 46 52.588 56.230 57.309 1.00 2.66 +ATOM 718 CA CYS 46 52.300 55.884 58.682 1.00 2.66 +ATOM 720 CB CYS 46 53.288 54.791 59.107 1.00 2.66 +ATOM 723 SG CYS 46 52.698 53.992 60.620 1.00 2.66 +ATOM 725 C CYS 46 52.317 57.048 59.682 1.00 2.66 +ATOM 726 O CYS 46 51.513 57.008 60.616 1.00 2.66 +ATOM 727 N ASP 47 53.302 57.955 59.575 1.00 3.46 +ATOM 729 CA ASP 47 53.732 58.868 60.658 1.00 3.46 +ATOM 731 CB ASP 47 53.110 60.286 60.561 1.00 3.46 +ATOM 734 CG ASP 47 54.144 61.411 60.342 1.00 3.46 +ATOM 735 OD1 ASP 47 55.190 61.162 59.690 1.00 3.46 +ATOM 736 OD2 ASP 47 53.910 62.542 60.850 1.00 3.46 +ATOM 737 C ASP 47 53.593 58.288 62.088 1.00 3.46 +ATOM 738 O ASP 47 53.300 58.972 63.069 1.00 3.46 +ATOM 739 N TRP 48 53.808 56.980 62.185 1.00 3.51 +ATOM 741 CA TRP 48 53.638 56.107 63.340 1.00 3.51 +ATOM 743 CB TRP 48 54.741 56.388 64.385 1.00 3.51 +ATOM 746 CG TRP 48 56.089 56.521 63.736 1.00 3.51 +ATOM 747 CD1 TRP 48 56.798 55.489 63.228 1.00 3.51 +ATOM 749 NE1 TRP 48 57.703 55.973 62.303 1.00 3.51 +ATOM 751 CE2 TRP 48 57.491 57.316 62.072 1.00 3.51 +ATOM 752 CZ2 TRP 48 57.855 58.188 61.042 1.00 3.51 +ATOM 754 CH2 TRP 48 57.489 59.541 61.118 1.00 3.51 +ATOM 756 CZ3 TRP 48 56.764 60.001 62.229 1.00 3.51 +ATOM 758 CE3 TRP 48 56.343 59.105 63.227 1.00 3.51 +ATOM 760 CD2 TRP 48 56.649 57.730 63.140 1.00 3.51 +ATOM 761 C TRP 48 52.251 55.929 63.942 1.00 3.51 +ATOM 762 O TRP 48 52.027 54.886 64.555 1.00 3.51 +ATOM 763 N GLU 49 51.312 56.842 63.723 1.00 4.07 +ATOM 765 CA GLU 49 50.152 56.976 64.621 1.00 4.07 +ATOM 767 CB GLU 49 50.332 58.198 65.542 1.00 4.07 +ATOM 770 CG GLU 49 51.681 58.285 66.291 1.00 4.07 +ATOM 773 CD GLU 49 52.071 57.026 67.086 1.00 4.07 +ATOM 774 OE1 GLU 49 51.145 56.311 67.536 1.00 4.07 +ATOM 775 OE2 GLU 49 53.297 56.825 67.279 1.00 4.07 +ATOM 776 C GLU 49 48.852 57.060 63.830 1.00 4.07 +ATOM 777 O GLU 49 48.845 57.486 62.679 1.00 4.07 +ATOM 778 N GLU 50 47.734 56.658 64.441 1.00 4.01 +ATOM 780 CA GLU 50 46.429 56.686 63.778 1.00 4.01 +ATOM 782 CB GLU 50 45.478 55.639 64.376 1.00 4.01 +ATOM 785 CG GLU 50 44.277 55.414 63.436 1.00 4.01 +ATOM 788 CD GLU 50 43.379 54.232 63.830 1.00 4.01 +ATOM 789 OE1 GLU 50 43.807 53.396 64.663 1.00 4.01 +ATOM 790 OE2 GLU 50 42.281 54.135 63.237 1.00 4.01 +ATOM 791 C GLU 50 45.848 58.098 63.737 1.00 4.01 +ATOM 792 O GLU 50 45.187 58.589 64.653 1.00 4.01 +ATOM 793 N ILE 51 46.131 58.744 62.614 1.00 5.22 +ATOM 795 CA ILE 51 45.690 60.075 62.266 1.00 5.22 +ATOM 797 CB ILE 51 46.880 61.079 62.114 1.00 5.22 +ATOM 799 CG2 ILE 51 46.704 62.206 63.147 1.00 5.22 +ATOM 803 CG1 ILE 51 48.297 60.469 62.201 1.00 5.22 +ATOM 806 CD1 ILE 51 49.450 61.450 61.956 1.00 5.22 +ATOM 810 C ILE 51 44.777 60.068 61.050 1.00 5.22 +ATOM 811 O ILE 51 44.535 59.078 60.366 1.00 5.22 +ATOM 812 N SER 52 44.266 61.254 60.763 1.00 5.16 +ATOM 814 CA SER 52 43.431 61.519 59.605 1.00 5.16 +ATOM 816 CB SER 52 41.977 61.681 60.073 1.00 5.16 +ATOM 819 OG SER 52 41.055 61.423 59.024 1.00 5.16 +ATOM 821 C SER 52 43.996 62.727 58.854 1.00 5.16 +ATOM 822 O SER 52 43.219 63.591 58.426 1.00 5.16 +ATOM 823 N VAL 53 45.332 62.863 58.763 1.00 5.49 +ATOM 825 CA VAL 53 45.910 63.972 57.999 1.00 5.49 +ATOM 827 CB VAL 53 47.430 64.217 58.135 1.00 5.49 +ATOM 829 CG1 VAL 53 47.868 65.512 57.430 1.00 5.49 +ATOM 833 CG2 VAL 53 47.833 64.388 59.605 1.00 5.49 +ATOM 837 C VAL 53 45.458 63.910 56.542 1.00 5.49 +ATOM 838 O VAL 53 45.377 62.845 55.937 1.00 5.49 +ATOM 839 N LYS 54 45.058 65.071 56.014 1.00 6.36 +ATOM 841 CA LYS 54 44.130 65.152 54.882 1.00 6.36 +ATOM 843 CB LYS 54 42.708 65.372 55.436 1.00 6.36 +ATOM 846 CG LYS 54 41.622 64.757 54.536 1.00 6.36 +ATOM 849 CD LYS 54 40.226 64.737 55.182 1.00 6.36 +ATOM 852 CE LYS 54 40.002 63.567 56.158 1.00 6.36 +ATOM 855 NZ LYS 54 40.616 63.776 57.492 1.00 6.36 +ATOM 859 C LYS 54 44.527 66.186 53.825 1.00 6.36 +ATOM 860 O LYS 54 43.690 66.836 53.217 1.00 6.36 +ATOM 861 N GLY 55 45.834 66.322 53.635 1.00 5.06 +ATOM 863 CA GLY 55 46.438 67.030 52.517 1.00 5.06 +ATOM 866 C GLY 55 47.486 66.146 51.842 1.00 5.06 +ATOM 867 O GLY 55 47.761 65.043 52.316 1.00 5.06 +ATOM 868 N PRO 56 48.084 66.609 50.734 1.00 4.63 +ATOM 869 CD PRO 56 47.835 67.875 50.061 1.00 4.63 +ATOM 872 CG PRO 56 48.925 67.989 48.993 1.00 4.63 +ATOM 875 CB PRO 56 49.254 66.529 48.678 1.00 4.63 +ATOM 878 CA PRO 56 49.079 65.819 50.026 1.00 4.63 +ATOM 880 C PRO 56 50.412 65.703 50.772 1.00 4.63 +ATOM 881 O PRO 56 51.166 64.760 50.543 1.00 4.63 +ATOM 882 N ASN 57 50.677 66.627 51.703 1.00 4.47 +ATOM 884 CA ASN 57 51.500 66.383 52.886 1.00 4.47 +ATOM 886 CB ASN 57 51.601 67.695 53.685 1.00 4.47 +ATOM 889 CG ASN 57 52.534 67.562 54.876 1.00 4.47 +ATOM 890 OD1 ASN 57 53.483 66.800 54.842 1.00 4.47 +ATOM 891 ND2 ASN 57 52.269 68.300 55.930 1.00 4.47 +ATOM 894 C ASN 57 50.895 65.226 53.684 1.00 4.47 +ATOM 895 O ASN 57 50.138 65.410 54.637 1.00 4.47 +ATOM 896 N GLY 58 51.232 64.021 53.228 1.00 3.75 +ATOM 898 CA GLY 58 51.228 62.808 54.019 1.00 3.75 +ATOM 901 C GLY 58 52.315 62.900 55.086 1.00 3.75 +ATOM 902 O GLY 58 53.290 62.161 55.010 1.00 3.75 +ATOM 903 N GLU 59 52.166 63.821 56.048 1.00 3.28 +ATOM 905 CA GLU 59 52.653 63.581 57.402 1.00 3.28 +ATOM 907 CB GLU 59 52.311 64.741 58.352 1.00 3.28 +ATOM 910 CG GLU 59 53.413 65.806 58.305 1.00 3.28 +ATOM 913 CD GLU 59 53.057 67.072 59.087 1.00 3.28 +ATOM 914 OE1 GLU 59 53.251 68.180 58.541 1.00 3.28 +ATOM 915 OE2 GLU 59 52.662 66.941 60.272 1.00 3.28 +ATOM 916 C GLU 59 52.096 62.235 57.837 1.00 3.28 +ATOM 917 O GLU 59 52.845 61.277 57.747 1.00 3.28 +ATOM 918 N SER 60 50.750 62.137 58.016 1.00 3.15 +ATOM 920 CA SER 60 49.856 61.086 57.419 1.00 3.15 +ATOM 922 CB SER 60 50.638 59.987 56.681 1.00 3.15 +ATOM 925 OG SER 60 51.328 59.255 57.669 1.00 3.15 +ATOM 927 C SER 60 48.733 60.574 58.248 1.00 3.15 +ATOM 928 O SER 60 47.919 61.341 58.790 1.00 3.15 +ATOM 929 N SER 61 48.485 59.277 58.173 1.00 2.90 +ATOM 931 CA SER 61 47.255 58.729 58.719 1.00 2.90 +ATOM 933 CB SER 61 46.178 58.629 57.654 1.00 2.90 +ATOM 936 OG SER 61 45.730 59.907 57.238 1.00 2.90 +ATOM 938 C SER 61 47.526 57.371 59.266 1.00 2.90 +ATOM 939 O SER 61 47.070 57.107 60.363 1.00 2.90 +ATOM 940 N VAL 62 48.200 56.555 58.450 1.00 2.25 +ATOM 942 CA VAL 62 48.477 55.117 58.462 1.00 2.25 +ATOM 944 CB VAL 62 47.686 54.352 59.537 1.00 2.25 +ATOM 946 CG1 VAL 62 48.222 54.554 60.964 1.00 2.25 +ATOM 950 CG2 VAL 62 46.167 54.539 59.345 1.00 2.25 +ATOM 954 C VAL 62 48.347 54.521 57.057 1.00 2.25 +ATOM 955 O VAL 62 47.999 55.213 56.102 1.00 2.25 +ATOM 956 N ILE 63 48.662 53.238 56.900 1.00 1.74 +ATOM 958 CA ILE 63 48.948 52.615 55.594 1.00 1.74 +ATOM 960 CB ILE 63 49.360 51.142 55.877 1.00 1.74 +ATOM 962 CG2 ILE 63 49.840 50.425 54.610 1.00 1.74 +ATOM 966 CG1 ILE 63 50.423 50.974 56.999 1.00 1.74 +ATOM 969 CD1 ILE 63 51.686 51.838 56.874 1.00 1.74 +ATOM 973 C ILE 63 47.678 52.657 54.739 1.00 1.74 +ATOM 974 O ILE 63 46.657 52.117 55.170 1.00 1.74 +ATOM 975 N HIS 64 47.681 53.270 53.550 1.00 1.91 +ATOM 977 CA HIS 64 46.513 53.099 52.690 1.00 1.91 +ATOM 979 CB HIS 64 46.484 54.003 51.458 1.00 1.91 +ATOM 982 CG HIS 64 47.210 53.477 50.262 1.00 1.91 +ATOM 983 ND1 HIS 64 48.527 53.023 50.241 1.00 1.91 +ATOM 984 CE1 HIS 64 48.775 52.732 48.963 1.00 1.91 +ATOM 986 NE2 HIS 64 47.688 52.934 48.210 1.00 1.91 +ATOM 988 CD2 HIS 64 46.692 53.432 49.005 1.00 1.91 +ATOM 990 C HIS 64 46.275 51.635 52.338 1.00 1.91 +ATOM 991 O HIS 64 47.218 50.898 52.042 1.00 1.91 +ATOM 992 N ASP 65 45.005 51.217 52.306 1.00 1.99 +ATOM 994 CA ASP 65 44.670 50.208 51.307 1.00 1.99 +ATOM 996 CB ASP 65 43.365 49.473 51.586 1.00 1.99 +ATOM 999 CG ASP 65 43.099 48.396 50.532 1.00 1.99 +ATOM 1000 OD1 ASP 65 44.067 47.788 50.013 1.00 1.99 +ATOM 1001 OD2 ASP 65 41.923 48.083 50.272 1.00 1.99 +ATOM 1002 C ASP 65 44.614 50.902 49.956 1.00 1.99 +ATOM 1003 O ASP 65 44.011 51.973 49.851 1.00 1.99 +ATOM 1004 N ARG 66 45.162 50.282 48.902 1.00 2.36 +ATOM 1006 CA ARG 66 44.726 50.712 47.578 1.00 2.36 +ATOM 1008 CB ARG 66 45.453 50.087 46.395 1.00 2.36 +ATOM 1011 CG ARG 66 44.747 50.494 45.072 1.00 2.36 +ATOM 1014 CD ARG 66 44.572 52.005 44.793 1.00 2.36 +ATOM 1017 NE ARG 66 44.063 52.187 43.428 1.00 2.36 +ATOM 1019 CZ ARG 66 43.509 53.236 42.867 1.00 2.36 +ATOM 1020 NH1 ARG 66 43.118 53.172 41.636 1.00 2.36 +ATOM 1023 NH2 ARG 66 43.340 54.362 43.495 1.00 2.36 +ATOM 1026 C ARG 66 43.217 50.496 47.428 1.00 2.36 +ATOM 1027 O ARG 66 42.472 51.406 47.075 1.00 2.36 +ATOM 1028 N LYS 67 42.813 49.236 47.573 1.00 2.56 +ATOM 1030 CA LYS 67 41.611 48.665 46.942 1.00 2.56 +ATOM 1032 CB LYS 67 41.664 47.123 47.027 1.00 2.56 +ATOM 1035 CG LYS 67 43.081 46.550 46.788 1.00 2.56 +ATOM 1038 CD LYS 67 43.114 45.023 46.633 1.00 2.56 +ATOM 1041 CE LYS 67 44.454 44.400 47.072 1.00 2.56 +ATOM 1044 NZ LYS 67 45.646 44.987 46.414 1.00 2.56 +ATOM 1048 C LYS 67 40.314 49.254 47.511 1.00 2.56 +ATOM 1049 O LYS 67 39.290 49.273 46.838 1.00 2.56 +ATOM 1050 N SER 68 40.405 49.814 48.712 1.00 2.43 +ATOM 1052 CA SER 68 39.481 50.760 49.311 1.00 2.43 +ATOM 1054 CB SER 68 38.511 50.009 50.232 1.00 2.43 +ATOM 1057 OG SER 68 37.522 50.883 50.746 1.00 2.43 +ATOM 1059 C SER 68 40.252 51.844 50.051 1.00 2.43 +ATOM 1060 O SER 68 40.628 51.643 51.198 1.00 2.43 +ATOM 1061 N GLY 69 40.514 52.957 49.350 1.00 2.40 +ATOM 1063 CA GLY 69 41.416 54.089 49.658 1.00 2.40 +ATOM 1066 C GLY 69 41.415 54.730 51.060 1.00 2.40 +ATOM 1067 O GLY 69 42.039 55.775 51.244 1.00 2.40 +ATOM 1068 N LYS 70 40.737 54.157 52.060 1.00 2.44 +ATOM 1070 CA LYS 70 40.966 54.433 53.482 1.00 2.44 +ATOM 1072 CB LYS 70 39.998 53.565 54.351 1.00 2.44 +ATOM 1075 CG LYS 70 40.396 53.377 55.841 1.00 2.44 +ATOM 1078 CD LYS 70 39.427 52.571 56.728 1.00 2.44 +ATOM 1081 CE LYS 70 40.123 51.772 57.863 1.00 2.44 +ATOM 1084 NZ LYS 70 40.794 52.566 58.928 1.00 2.44 +ATOM 1088 C LYS 70 42.434 54.231 53.857 1.00 2.44 +ATOM 1089 O LYS 70 43.173 53.411 53.310 1.00 2.44 +ATOM 1090 N LYS 71 42.804 54.963 54.900 1.00 1.92 +ATOM 1092 CA LYS 71 44.020 54.776 55.680 1.00 1.92 +ATOM 1094 CB LYS 71 44.552 56.162 56.084 1.00 1.92 +ATOM 1097 CG LYS 71 44.805 57.105 54.882 1.00 1.92 +ATOM 1100 CD LYS 71 46.068 56.764 54.081 1.00 1.92 +ATOM 1103 CE LYS 71 46.097 57.563 52.774 1.00 1.92 +ATOM 1106 NZ LYS 71 47.407 57.450 52.101 1.00 1.92 +ATOM 1110 C LYS 71 43.715 53.876 56.874 1.00 1.92 +ATOM 1111 O LYS 71 42.775 54.127 57.631 1.00 1.92 +ATOM 1112 N PHE 72 44.464 52.787 56.992 1.00 2.20 +ATOM 1114 CA PHE 72 44.286 51.729 57.978 1.00 2.20 +ATOM 1116 CB PHE 72 44.250 50.381 57.216 1.00 2.20 +ATOM 1119 CG PHE 72 43.055 50.125 56.315 1.00 2.20 +ATOM 1120 CD1 PHE 72 42.966 50.771 55.074 1.00 2.20 +ATOM 1122 CE1 PHE 72 41.838 50.585 54.260 1.00 2.20 +ATOM 1124 CZ PHE 72 40.815 49.707 54.648 1.00 2.20 +ATOM 1126 CE2 PHE 72 40.922 49.015 55.865 1.00 2.20 +ATOM 1128 CD2 PHE 72 42.042 49.221 56.691 1.00 2.20 +ATOM 1130 C PHE 72 45.433 51.654 58.981 1.00 2.20 +ATOM 1131 O PHE 72 46.602 51.584 58.566 1.00 2.20 +ATOM 1132 N SER 73 45.047 51.670 60.266 1.00 3.17 +ATOM 1134 CA SER 73 45.891 51.624 61.472 1.00 3.17 +ATOM 1136 CB SER 73 45.005 51.341 62.682 1.00 3.17 +ATOM 1139 OG SER 73 45.671 51.747 63.853 1.00 3.17 +ATOM 1141 C SER 73 46.939 50.532 61.317 1.00 3.17 +ATOM 1142 O SER 73 46.673 49.544 60.633 1.00 3.17 +ATOM 1143 N ILE 74 48.120 50.645 61.924 1.00 2.78 +ATOM 1145 CA ILE 74 49.181 49.648 61.693 1.00 2.78 +ATOM 1147 CB ILE 74 50.432 49.916 62.570 1.00 2.78 +ATOM 1149 CG2 ILE 74 51.559 48.929 62.203 1.00 2.78 +ATOM 1153 CG1 ILE 74 50.938 51.370 62.426 1.00 2.78 +ATOM 1156 CD1 ILE 74 52.191 51.680 63.257 1.00 2.78 +ATOM 1160 C ILE 74 48.691 48.204 61.913 1.00 2.78 +ATOM 1161 O ILE 74 48.981 47.319 61.105 1.00 2.78 +ATOM 1162 N GLU 75 47.897 47.992 62.962 1.00 3.34 +ATOM 1164 CA GLU 75 47.303 46.698 63.275 1.00 3.34 +ATOM 1166 CB GLU 75 46.668 46.786 64.673 1.00 3.34 +ATOM 1169 CG GLU 75 46.253 45.417 65.227 1.00 3.34 +ATOM 1172 CD GLU 75 47.407 44.410 65.177 1.00 3.34 +ATOM 1173 OE1 GLU 75 48.556 44.814 65.462 1.00 3.34 +ATOM 1174 OE2 GLU 75 47.139 43.242 64.821 1.00 3.34 +ATOM 1175 C GLU 75 46.271 46.231 62.234 1.00 3.34 +ATOM 1176 O GLU 75 46.239 45.058 61.856 1.00 3.34 +ATOM 1177 N GLU 76 45.470 47.153 61.688 1.00 3.18 +ATOM 1179 CA GLU 76 44.551 46.840 60.592 1.00 3.18 +ATOM 1181 CB GLU 76 43.710 48.056 60.177 1.00 3.18 +ATOM 1184 CG GLU 76 42.619 48.578 61.111 1.00 3.18 +ATOM 1187 CD GLU 76 41.903 49.741 60.398 1.00 3.18 +ATOM 1188 OE1 GLU 76 42.384 50.895 60.461 1.00 3.18 +ATOM 1189 OE2 GLU 76 40.919 49.504 59.667 1.00 3.18 +ATOM 1190 C GLU 76 45.308 46.398 59.333 1.00 3.18 +ATOM 1191 O GLU 76 44.887 45.471 58.643 1.00 3.18 +ATOM 1192 N ALA 77 46.411 47.075 59.005 1.00 2.12 +ATOM 1194 CA ALA 77 47.233 46.779 57.840 1.00 2.12 +ATOM 1196 CB ALA 77 48.235 47.922 57.646 1.00 2.12 +ATOM 1200 C ALA 77 47.924 45.407 57.972 1.00 2.12 +ATOM 1201 O ALA 77 47.929 44.606 57.034 1.00 2.12 +ATOM 1202 N LEU 78 48.433 45.098 59.166 1.00 2.53 +ATOM 1204 CA LEU 78 48.972 43.784 59.495 1.00 2.53 +ATOM 1206 CB LEU 78 49.492 43.825 60.948 1.00 2.53 +ATOM 1209 CG LEU 78 49.964 42.472 61.510 1.00 2.53 +ATOM 1211 CD1 LEU 78 51.091 41.861 60.680 1.00 2.53 +ATOM 1215 CD2 LEU 78 50.485 42.650 62.933 1.00 2.53 +ATOM 1219 C LEU 78 47.935 42.683 59.285 1.00 2.53 +ATOM 1220 O LEU 78 48.149 41.760 58.500 1.00 2.53 +ATOM 1221 N GLN 79 46.770 42.831 59.912 1.00 3.25 +ATOM 1223 CA GLN 79 45.660 41.887 59.786 1.00 3.25 +ATOM 1225 CB GLN 79 44.709 42.015 60.994 1.00 3.25 +ATOM 1228 CG GLN 79 45.402 41.593 62.303 1.00 3.25 +ATOM 1231 CD GLN 79 44.442 41.397 63.479 1.00 3.25 +ATOM 1232 OE1 GLN 79 43.345 40.873 63.358 1.00 3.25 +ATOM 1233 NE2 GLN 79 44.827 41.782 64.673 1.00 3.25 +ATOM 1236 C GLN 79 44.914 41.966 58.451 1.00 3.25 +ATOM 1237 O GLN 79 43.931 41.253 58.254 1.00 3.25 +ATOM 1238 N SER 80 45.402 42.752 57.486 1.00 3.06 +ATOM 1240 CA SER 80 44.918 42.663 56.101 1.00 3.06 +ATOM 1242 CB SER 80 44.107 43.908 55.749 1.00 3.06 +ATOM 1245 OG SER 80 44.781 45.122 56.053 1.00 3.06 +ATOM 1247 C SER 80 46.053 42.370 55.133 1.00 3.06 +ATOM 1248 O SER 80 45.861 42.418 53.919 1.00 3.06 +ATOM 1249 N GLY 81 47.225 42.005 55.668 1.00 2.64 +ATOM 1251 CA GLY 81 48.386 41.568 54.915 1.00 2.64 +ATOM 1254 C GLY 81 48.885 42.617 53.929 1.00 2.64 +ATOM 1255 O GLY 81 49.239 42.282 52.796 1.00 2.64 +ATOM 1256 N ARG 82 48.901 43.860 54.405 1.00 2.08 +ATOM 1258 CA ARG 82 49.415 45.087 53.795 1.00 2.08 +ATOM 1260 CB ARG 82 48.227 46.031 53.517 1.00 2.08 +ATOM 1263 CG ARG 82 47.281 45.453 52.448 1.00 2.08 +ATOM 1266 CD ARG 82 46.042 46.320 52.195 1.00 2.08 +ATOM 1269 NE ARG 82 45.035 46.217 53.277 1.00 2.08 +ATOM 1271 CZ ARG 82 43.721 46.154 53.131 1.00 2.08 +ATOM 1272 NH1 ARG 82 42.936 46.261 54.159 1.00 2.08 +ATOM 1275 NH2 ARG 82 43.144 46.006 51.975 1.00 2.08 +ATOM 1278 C ARG 82 50.512 45.761 54.620 1.00 2.08 +ATOM 1279 O ARG 82 51.010 46.829 54.252 1.00 2.08 +ATOM 1280 N LEU 83 50.868 45.124 55.736 1.00 1.82 +ATOM 1282 CA LEU 83 52.089 45.393 56.508 1.00 1.82 +ATOM 1284 CB LEU 83 51.608 46.477 57.517 1.00 1.82 +ATOM 1287 CG LEU 83 52.548 47.118 58.542 1.00 1.82 +ATOM 1289 CD1 LEU 83 52.772 46.211 59.743 1.00 1.82 +ATOM 1293 CD2 LEU 83 53.852 47.576 57.900 1.00 1.82 +ATOM 1297 C LEU 83 52.530 44.063 57.145 1.00 1.82 +ATOM 1298 O LEU 83 51.684 43.274 57.558 1.00 1.82 +ATOM 1299 N THR 84 53.833 43.788 57.249 1.00 2.51 +ATOM 1301 CA THR 84 54.337 42.636 58.032 1.00 2.51 +ATOM 1303 CB THR 84 55.463 41.882 57.297 1.00 2.51 +ATOM 1305 CG2 THR 84 55.063 41.397 55.909 1.00 2.51 +ATOM 1309 OG1 THR 84 56.632 42.658 57.162 1.00 2.51 +ATOM 1311 C THR 84 54.880 43.107 59.385 1.00 2.51 +ATOM 1312 O THR 84 55.337 44.255 59.489 1.00 2.51 +ATOM 1313 N PRO 85 54.908 42.243 60.422 1.00 2.62 +ATOM 1314 CD PRO 85 54.435 40.867 60.462 1.00 2.62 +ATOM 1317 CG PRO 85 54.327 40.518 61.947 1.00 2.62 +ATOM 1320 CB PRO 85 55.435 41.351 62.583 1.00 2.62 +ATOM 1323 CA PRO 85 55.466 42.617 61.718 1.00 2.62 +ATOM 1325 C PRO 85 56.886 43.183 61.602 1.00 2.62 +ATOM 1326 O PRO 85 57.153 44.271 62.087 1.00 2.62 +ATOM 1327 N ALA 86 57.744 42.542 60.802 1.00 2.27 +ATOM 1329 CA ALA 86 59.085 43.039 60.507 1.00 2.27 +ATOM 1331 CB ALA 86 59.745 42.051 59.536 1.00 2.27 +ATOM 1335 C ALA 86 59.145 44.481 59.966 1.00 2.27 +ATOM 1336 O ALA 86 60.039 45.264 60.314 1.00 2.27 +ATOM 1337 N HIS 87 58.188 44.847 59.112 1.00 2.21 +ATOM 1339 CA HIS 87 58.044 46.216 58.624 1.00 2.21 +ATOM 1341 CB HIS 87 57.086 46.230 57.436 1.00 2.21 +ATOM 1344 CG HIS 87 57.473 45.401 56.235 1.00 2.21 +ATOM 1345 ND1 HIS 87 56.555 44.916 55.305 1.00 2.21 +ATOM 1346 CE1 HIS 87 57.263 44.241 54.387 1.00 2.21 +ATOM 1348 NE2 HIS 87 58.568 44.249 54.713 1.00 2.21 +ATOM 1350 CD2 HIS 87 58.721 44.972 55.880 1.00 2.21 +ATOM 1352 C HIS 87 57.610 47.192 59.723 1.00 2.21 +ATOM 1353 O HIS 87 58.203 48.266 59.835 1.00 2.21 +ATOM 1354 N TYR 88 56.659 46.802 60.580 1.00 2.48 +ATOM 1356 CA TYR 88 56.320 47.575 61.789 1.00 2.48 +ATOM 1358 CB TYR 88 55.166 46.888 62.561 1.00 2.48 +ATOM 1361 CG TYR 88 55.253 46.905 64.079 1.00 2.48 +ATOM 1362 CD1 TYR 88 54.703 47.972 64.815 1.00 2.48 +ATOM 1364 CE1 TYR 88 54.825 48.001 66.219 1.00 2.48 +ATOM 1366 CZ TYR 88 55.539 46.981 66.884 1.00 2.48 +ATOM 1367 OH TYR 88 55.740 47.043 68.225 1.00 2.48 +ATOM 1369 CE2 TYR 88 56.070 45.905 66.150 1.00 2.48 +ATOM 1371 CD2 TYR 88 55.905 45.858 64.758 1.00 2.48 +ATOM 1373 C TYR 88 57.544 47.846 62.679 1.00 2.48 +ATOM 1374 O TYR 88 57.825 49.003 62.994 1.00 2.48 +ATOM 1375 N ASP 89 58.321 46.812 63.006 1.00 2.31 +ATOM 1377 CA ASP 89 59.504 46.925 63.856 1.00 2.31 +ATOM 1379 CB ASP 89 60.089 45.532 64.138 1.00 2.31 +ATOM 1382 CG ASP 89 59.247 44.748 65.149 1.00 2.31 +ATOM 1383 OD1 ASP 89 59.246 45.156 66.333 1.00 2.31 +ATOM 1384 OD2 ASP 89 58.627 43.742 64.737 1.00 2.31 +ATOM 1385 C ASP 89 60.562 47.855 63.240 1.00 2.31 +ATOM 1386 O ASP 89 61.135 48.695 63.950 1.00 2.31 +ATOM 1387 N ARG 90 60.778 47.777 61.913 1.00 2.22 +ATOM 1389 CA ARG 90 61.661 48.723 61.205 1.00 2.22 +ATOM 1391 CB ARG 90 61.959 48.220 59.778 1.00 2.22 +ATOM 1394 CG ARG 90 63.016 49.100 59.082 1.00 2.22 +ATOM 1397 CD ARG 90 63.561 48.505 57.776 1.00 2.22 +ATOM 1400 NE ARG 90 64.485 49.459 57.136 1.00 2.22 +ATOM 1402 CZ ARG 90 65.010 49.442 55.926 1.00 2.22 +ATOM 1403 NH1 ARG 90 65.728 50.452 55.561 1.00 2.22 +ATOM 1406 NH2 ARG 90 64.875 48.471 55.066 1.00 2.22 +ATOM 1409 C ARG 90 61.163 50.172 61.220 1.00 2.22 +ATOM 1410 O ARG 90 61.987 51.081 61.329 1.00 2.22 +ATOM 1411 N TYR 91 59.855 50.425 61.165 1.00 2.81 +ATOM 1413 CA TYR 91 59.335 51.797 61.268 1.00 2.81 +ATOM 1415 CB TYR 91 57.877 51.894 60.791 1.00 2.81 +ATOM 1418 CG TYR 91 57.498 51.355 59.422 1.00 2.81 +ATOM 1419 CD1 TYR 91 56.126 51.172 59.172 1.00 2.81 +ATOM 1421 CE1 TYR 91 55.699 50.547 57.991 1.00 2.81 +ATOM 1423 CZ TYR 91 56.650 50.078 57.066 1.00 2.81 +ATOM 1424 OH TYR 91 56.225 49.372 55.986 1.00 2.81 +ATOM 1426 CE2 TYR 91 58.022 50.333 57.267 1.00 2.81 +ATOM 1428 CD2 TYR 91 58.445 50.995 58.438 1.00 2.81 +ATOM 1430 C TYR 91 59.380 52.361 62.691 1.00 2.81 +ATOM 1431 O TYR 91 59.525 53.572 62.846 1.00 2.81 +ATOM 1432 N VAL 92 59.256 51.514 63.716 1.00 2.89 +ATOM 1434 CA VAL 92 59.332 51.881 65.141 1.00 2.89 +ATOM 1436 CB VAL 92 58.734 50.739 66.001 1.00 2.89 +ATOM 1438 CG1 VAL 92 59.020 50.875 67.503 1.00 2.89 +ATOM 1442 CG2 VAL 92 57.208 50.708 65.848 1.00 2.89 +ATOM 1446 C VAL 92 60.756 52.210 65.570 1.00 2.89 +ATOM 1447 O VAL 92 60.961 53.246 66.202 1.00 2.89 +ATOM 1448 N ASN 93 61.730 51.391 65.152 1.00 2.91 +ATOM 1450 CA ASN 93 63.168 51.702 65.206 1.00 2.91 +ATOM 1452 CB ASN 93 63.966 50.401 65.008 1.00 2.91 +ATOM 1455 CG ASN 93 63.855 49.493 66.217 1.00 2.91 +ATOM 1456 OD1 ASN 93 64.614 49.605 67.162 1.00 2.91 +ATOM 1457 ND2 ASN 93 62.898 48.597 66.243 1.00 2.91 +ATOM 1460 C ASN 93 63.579 52.774 64.182 1.00 2.91 +ATOM 1461 O ASN 93 64.715 53.235 64.201 1.00 2.91 +ATOM 1462 N LYS 94 62.644 53.199 63.320 1.00 3.26 +ATOM 1464 CA LYS 94 62.647 54.448 62.542 1.00 3.26 +ATOM 1466 CB LYS 94 62.595 55.656 63.525 1.00 3.26 +ATOM 1469 CG LYS 94 61.203 55.899 64.129 1.00 3.26 +ATOM 1472 CD LYS 94 61.230 56.697 65.444 1.00 3.26 +ATOM 1475 CE LYS 94 59.854 57.260 65.856 1.00 3.26 +ATOM 1478 NZ LYS 94 58.745 56.282 65.721 1.00 3.26 +ATOM 1482 C LYS 94 63.754 54.617 61.482 1.00 3.26 +ATOM 1483 O LYS 94 63.895 55.700 60.932 1.00 3.26 +ATOM 1484 N ASP 95 64.541 53.590 61.161 1.00 6.19 +ATOM 1486 CA ASP 95 65.889 53.770 60.583 1.00 6.19 +ATOM 1488 CB ASP 95 65.888 54.074 59.065 1.00 6.19 +ATOM 1491 CG ASP 95 65.167 53.100 58.129 1.00 6.19 +ATOM 1492 OD1 ASP 95 65.606 51.941 57.939 1.00 6.19 +ATOM 1493 OD2 ASP 95 64.254 53.588 57.424 1.00 6.19 +ATOM 1494 C ASP 95 66.709 54.834 61.357 1.00 6.19 +ATOM 1495 O ASP 95 67.157 55.837 60.802 1.00 6.19 +ATOM 1496 N MET 96 66.775 54.668 62.682 1.00 6.50 +ATOM 1498 CA MET 96 67.145 55.659 63.708 1.00 6.50 +ATOM 1500 CB MET 96 68.605 56.113 63.520 1.00 6.50 +ATOM 1503 CG MET 96 69.144 56.918 64.707 1.00 6.50 +ATOM 1506 SD MET 96 70.812 57.582 64.456 1.00 6.50 +ATOM 1507 CE MET 96 70.444 58.944 63.315 1.00 6.50 +ATOM 1511 C MET 96 66.183 56.844 63.834 1.00 6.50 +ATOM 1512 O MET 96 65.991 57.367 64.927 1.00 6.50 +ATOM 1513 N SER 97 65.598 57.279 62.719 1.00 4.16 +ATOM 1515 CA SER 97 65.169 58.652 62.513 1.00 4.16 +ATOM 1517 CB SER 97 66.457 59.514 62.604 1.00 4.16 +ATOM 1520 OG SER 97 67.489 59.077 61.730 1.00 4.16 +ATOM 1522 C SER 97 64.420 58.851 61.191 1.00 4.16 +ATOM 1523 O SER 97 65.091 59.131 60.222 1.00 4.16 +ATOM 1524 N ILE 98 63.083 58.773 61.052 1.00 3.88 +ATOM 1526 CA ILE 98 62.420 58.889 59.714 1.00 3.88 +ATOM 1528 CB ILE 98 60.985 58.311 59.635 1.00 3.88 +ATOM 1530 CG2 ILE 98 60.286 58.594 58.285 1.00 3.88 +ATOM 1534 CG1 ILE 98 60.988 56.784 59.901 1.00 3.88 +ATOM 1537 CD1 ILE 98 61.680 55.909 58.838 1.00 3.88 +ATOM 1541 C ILE 98 62.598 60.253 58.999 1.00 3.88 +ATOM 1542 O ILE 98 61.704 61.074 58.921 1.00 3.88 +ATOM 1543 N GLN 99 63.801 60.554 58.540 1.00 5.20 +ATOM 1545 CA GLN 99 64.340 61.899 58.407 1.00 5.20 +ATOM 1547 CB GLN 99 63.662 62.680 57.253 1.00 5.20 +ATOM 1550 CG GLN 99 63.742 61.980 55.874 1.00 5.20 +ATOM 1553 CD GLN 99 62.905 60.703 55.749 1.00 5.20 +ATOM 1554 OE1 GLN 99 63.404 59.579 55.792 1.00 5.20 +ATOM 1555 NE2 GLN 99 61.602 60.806 55.628 1.00 5.20 +ATOM 1558 C GLN 99 64.558 62.660 59.737 1.00 5.20 +ATOM 1559 O GLN 99 64.518 63.876 59.789 1.00 5.20 +ATOM 1560 N GLU 100 64.750 61.934 60.834 1.00 5.27 +ATOM 1562 CA GLU 100 64.271 62.235 62.201 1.00 5.27 +ATOM 1564 CB GLU 100 65.187 63.114 63.069 1.00 5.27 +ATOM 1567 CG GLU 100 65.317 62.571 64.513 1.00 5.27 +ATOM 1570 CD GLU 100 64.013 61.999 65.113 1.00 5.27 +ATOM 1571 OE1 GLU 100 63.711 60.817 64.805 1.00 5.27 +ATOM 1572 OE2 GLU 100 63.318 62.748 65.833 1.00 5.27 +ATOM 1573 C GLU 100 62.784 62.500 62.311 1.00 5.27 +ATOM 1574 O GLU 100 62.340 63.404 62.993 1.00 5.27 +ATOM 1575 N LEU 101 61.984 61.757 61.556 1.00 5.00 +ATOM 1577 CA LEU 101 60.569 62.134 61.300 1.00 5.00 +ATOM 1579 CB LEU 101 59.762 62.065 62.627 1.00 5.00 +ATOM 1582 CG LEU 101 60.221 61.061 63.716 1.00 5.00 +ATOM 1584 CD1 LEU 101 59.291 61.089 64.925 1.00 5.00 +ATOM 1588 CD2 LEU 101 60.334 59.609 63.263 1.00 5.00 +ATOM 1592 C LEU 101 60.476 63.486 60.485 1.00 5.00 +ATOM 1593 O LEU 101 59.461 64.170 60.396 1.00 5.00 +ATOM 1594 N ALA 102 61.607 63.910 59.911 1.00 5.18 +ATOM 1596 CA ALA 102 61.974 65.250 59.421 1.00 5.18 +ATOM 1598 CB ALA 102 60.888 65.862 58.523 1.00 5.18 +ATOM 1602 C ALA 102 62.586 66.174 60.502 1.00 5.18 +ATOM 1603 O ALA 102 62.634 67.383 60.338 1.00 5.18 +ATOM 1604 N VAL 103 63.018 65.658 61.648 1.00 6.39 +ATOM 1606 CA VAL 103 62.797 66.298 62.957 1.00 6.39 +ATOM 1608 CB VAL 103 63.826 67.411 63.262 1.00 6.39 +ATOM 1610 CG1 VAL 103 63.721 67.884 64.719 1.00 6.39 +ATOM 1614 CG2 VAL 103 65.281 66.964 63.052 1.00 6.39 +ATOM 1618 C VAL 103 61.322 66.714 63.031 1.00 6.39 +ATOM 1619 O VAL 103 60.966 67.891 63.066 1.00 6.39 +ATOM 1620 N LEU 104 60.483 65.685 62.877 1.00 8.02 +ATOM 1622 CA LEU 104 59.020 65.593 62.758 1.00 8.02 +ATOM 1624 CB LEU 104 58.476 65.599 64.205 1.00 8.02 +ATOM 1627 CG LEU 104 57.046 65.065 64.407 1.00 8.02 +ATOM 1629 CD1 LEU 104 56.735 63.705 63.783 1.00 8.02 +ATOM 1633 CD2 LEU 104 56.720 64.972 65.900 1.00 8.02 +ATOM 1637 C LEU 104 58.295 66.537 61.762 1.00 8.02 +ATOM 1638 O LEU 104 57.133 66.261 61.495 1.00 8.02 +ATOM 1639 N VAL 105 58.945 67.579 61.210 1.00 8.70 +ATOM 1641 CA VAL 105 58.532 68.539 60.123 1.00 8.70 +ATOM 1643 CB VAL 105 57.205 69.375 60.285 1.00 8.70 +ATOM 1645 CG1 VAL 105 56.759 69.964 58.923 1.00 8.70 +ATOM 1649 CG2 VAL 105 55.926 68.680 60.734 1.00 8.70 +ATOM 1653 C VAL 105 59.614 69.517 59.648 1.00 8.70 +ATOM 1654 O VAL 105 59.504 70.725 59.835 1.00 8.70 +ATOM 1655 N SER 106 60.697 69.055 59.046 1.00 9.10 +ATOM 1657 CA SER 106 61.911 69.873 58.852 1.00 9.10 +ATOM 1659 CB SER 106 61.749 70.803 57.636 1.00 9.10 +ATOM 1662 OG SER 106 61.539 70.060 56.448 1.00 9.10 +ATOM 1664 C SER 106 62.323 70.651 60.127 1.00 9.10 +ATOM 1665 O SER 106 62.724 71.812 60.042 1.00 9.10 +ATOM 1666 N GLY 107 62.121 70.085 61.326 1.00 8.97 +ATOM 1668 CA GLY 107 62.330 70.749 62.625 1.00 8.97 +ATOM 1671 C GLY 107 61.053 71.225 63.317 1.00 8.97 +ATOM 1672 O GLY 107 60.962 71.249 64.541 1.00 8.97 +ATOM 1673 N GLN 108 60.045 71.597 62.537 1.00 9.81 +ATOM 1675 CA GLN 108 59.009 72.546 62.923 1.00 9.81 +ATOM 1677 CB GLN 108 58.504 73.305 61.676 1.00 9.81 +ATOM 1680 CG GLN 108 59.611 73.892 60.770 1.00 9.81 +ATOM 1683 CD GLN 108 60.718 74.616 61.529 1.00 9.81 +ATOM 1684 OE1 GLN 108 60.492 75.572 62.248 1.00 9.81 +ATOM 1685 NE2 GLN 108 61.959 74.191 61.416 1.00 9.81 +ATOM 1688 C GLN 108 57.854 71.987 63.780 1.00 9.81 +ATOM 1689 O GLN 108 56.872 72.688 64.010 1.00 9.81 +ATOM 1690 N LYS 109 57.964 70.753 64.297 1.00 11.23 +ATOM 1692 CA LYS 109 57.098 70.264 65.391 1.00 11.23 +ATOM 1694 CB LYS 109 55.726 69.751 64.850 1.00 11.23 +ATOM 1697 CG LYS 109 55.590 68.263 64.440 1.00 11.23 +ATOM 1700 CD LYS 109 54.224 67.934 63.772 1.00 11.23 +ATOM 1703 CE LYS 109 53.937 66.445 63.433 1.00 11.23 +ATOM 1706 NZ LYS 109 54.408 65.997 62.092 1.00 11.23 +ATOM 1710 C LYS 109 57.828 69.264 66.296 1.00 11.23 +ATOM 1711 O LYS 109 58.996 68.911 66.131 1.00 11.23 +TER +END +PFRMAT TS +TARGET T0759 +MODEL 5 +PARENT 1lm7_A 1lm5_A 1lm5_B +ATOM 1 N MET 1 54.510 48.724 70.485 1.00 12.15 +ATOM 2 CA MET 1 54.206 49.132 69.106 1.00 12.15 +ATOM 4 CB MET 1 55.410 48.796 68.206 1.00 12.15 +ATOM 7 CG MET 1 55.669 49.941 67.229 1.00 12.15 +ATOM 10 SD MET 1 56.994 49.632 66.033 1.00 12.15 +ATOM 11 CE MET 1 56.920 51.222 65.172 1.00 12.15 +ATOM 15 C MET 1 52.897 48.527 68.611 1.00 12.15 +ATOM 16 O MET 1 52.615 48.612 67.427 1.00 12.15 +ATOM 17 N GLY 2 52.108 47.926 69.511 1.00 10.04 +ATOM 19 CA GLY 2 50.658 47.744 69.340 1.00 10.04 +ATOM 22 C GLY 2 49.921 49.075 69.488 1.00 10.04 +ATOM 23 O GLY 2 49.058 49.420 68.696 1.00 10.04 +ATOM 24 N HIS 3 50.383 49.903 70.420 1.00 9.20 +ATOM 26 CA HIS 3 50.233 51.354 70.345 1.00 9.20 +ATOM 28 CB HIS 3 50.882 51.898 71.633 1.00 9.20 +ATOM 31 CG HIS 3 50.758 53.377 71.862 1.00 9.20 +ATOM 32 ND1 HIS 3 50.024 53.980 72.886 1.00 9.20 +ATOM 33 CE1 HIS 3 50.145 55.300 72.683 1.00 9.20 +ATOM 35 NE2 HIS 3 50.939 55.544 71.626 1.00 9.20 +ATOM 37 CD2 HIS 3 51.350 54.341 71.107 1.00 9.20 +ATOM 39 C HIS 3 50.918 51.844 69.074 1.00 9.20 +ATOM 40 O HIS 3 52.074 51.502 68.837 1.00 9.20 +ATOM 41 N HIS 4 50.196 52.579 68.232 1.00 9.37 +ATOM 43 CA HIS 4 50.587 52.868 66.845 1.00 9.37 +ATOM 45 CB HIS 4 51.723 53.919 66.837 1.00 9.37 +ATOM 48 CG HIS 4 51.240 55.308 67.143 1.00 9.37 +ATOM 49 ND1 HIS 4 51.113 55.882 68.410 1.00 9.37 +ATOM 50 CE1 HIS 4 50.577 57.093 68.212 1.00 9.37 +ATOM 52 NE2 HIS 4 50.385 57.302 66.903 1.00 9.37 +ATOM 54 CD2 HIS 4 50.802 56.194 66.210 1.00 9.37 +ATOM 56 C HIS 4 50.915 51.661 65.940 1.00 9.37 +ATOM 57 O HIS 4 51.441 51.860 64.852 1.00 9.37 +ATOM 58 N HIS 5 50.551 50.427 66.300 1.00 7.59 +ATOM 60 CA HIS 5 50.039 49.510 65.278 1.00 7.59 +ATOM 62 CB HIS 5 50.078 48.022 65.684 1.00 7.59 +ATOM 65 CG HIS 5 49.566 47.055 64.639 1.00 7.59 +ATOM 66 ND1 HIS 5 50.362 46.128 63.964 1.00 7.59 +ATOM 67 CE1 HIS 5 49.556 45.546 63.061 1.00 7.59 +ATOM 69 NE2 HIS 5 48.303 46.015 63.169 1.00 7.59 +ATOM 71 CD2 HIS 5 48.288 46.970 64.160 1.00 7.59 +ATOM 73 C HIS 5 48.606 49.957 65.045 1.00 7.59 +ATOM 74 O HIS 5 48.318 50.651 64.075 1.00 7.59 +ATOM 75 N HIS 6 47.769 49.725 66.058 1.00 5.84 +ATOM 76 CA HIS 6 46.445 50.269 66.264 1.00 5.84 +ATOM 77 CB HIS 6 46.008 49.939 67.702 1.00 5.84 +ATOM 78 CG HIS 6 44.651 50.422 68.171 1.00 5.84 +ATOM 79 ND1 HIS 6 44.315 50.656 69.507 1.00 5.84 +ATOM 80 CE1 HIS 6 43.023 51.008 69.502 1.00 5.84 +ATOM 81 NE2 HIS 6 42.547 51.016 68.242 1.00 5.84 +ATOM 82 CD2 HIS 6 43.558 50.640 67.381 1.00 5.84 +ATOM 83 C HIS 6 46.378 51.764 65.949 1.00 5.84 +ATOM 84 O HIS 6 45.700 52.221 65.029 1.00 5.84 +ATOM 85 N HIS 7 47.197 52.566 66.611 1.00 6.33 +ATOM 87 CA HIS 7 47.106 54.018 66.421 1.00 6.33 +ATOM 89 CB HIS 7 47.533 54.763 67.702 1.00 6.33 +ATOM 92 CG HIS 7 47.109 54.118 68.995 1.00 6.33 +ATOM 93 ND1 HIS 7 47.943 53.922 70.094 1.00 6.33 +ATOM 94 CE1 HIS 7 47.228 53.222 70.989 1.00 6.33 +ATOM 96 NE2 HIS 7 46.016 52.932 70.489 1.00 6.33 +ATOM 98 CD2 HIS 7 45.920 53.502 69.242 1.00 6.33 +ATOM 100 C HIS 7 47.843 54.579 65.200 1.00 6.33 +ATOM 101 O HIS 7 47.856 55.789 64.981 1.00 6.33 +ATOM 102 N HIS 8 48.412 53.704 64.366 1.00 5.31 +ATOM 104 CA HIS 8 48.824 54.077 63.015 1.00 5.31 +ATOM 106 CB HIS 8 50.342 53.947 62.803 1.00 5.31 +ATOM 109 CG HIS 8 50.882 55.100 61.992 1.00 5.31 +ATOM 110 ND1 HIS 8 51.642 56.185 62.453 1.00 5.31 +ATOM 111 CE1 HIS 8 51.656 57.068 61.437 1.00 5.31 +ATOM 113 NE2 HIS 8 50.962 56.598 60.390 1.00 5.31 +ATOM 115 CD2 HIS 8 50.468 55.374 60.732 1.00 5.31 +ATOM 117 C HIS 8 47.888 53.473 61.966 1.00 5.31 +ATOM 118 O HIS 8 47.706 54.090 60.918 1.00 5.31 +ATOM 119 N SER 9 47.070 52.484 62.351 1.00 3.66 +ATOM 121 CA SER 9 45.730 52.368 61.786 1.00 3.66 +ATOM 123 CB SER 9 44.935 51.135 62.249 1.00 3.66 +ATOM 126 OG SER 9 44.010 51.438 63.272 1.00 3.66 +ATOM 128 C SER 9 44.935 53.667 61.928 1.00 3.66 +ATOM 129 O SER 9 44.122 53.991 61.067 1.00 3.66 +ATOM 130 N HIS 10 45.224 54.467 62.965 1.00 3.65 +ATOM 132 CA HIS 10 44.636 55.808 63.091 1.00 3.65 +ATOM 134 CB HIS 10 44.423 56.196 64.568 1.00 3.65 +ATOM 137 CG HIS 10 43.682 55.210 65.450 1.00 3.65 +ATOM 138 ND1 HIS 10 43.633 55.297 66.844 1.00 3.65 +ATOM 139 CE1 HIS 10 42.976 54.203 67.258 1.00 3.65 +ATOM 141 NE2 HIS 10 42.620 53.442 66.214 1.00 3.65 +ATOM 143 CD2 HIS 10 43.030 54.073 65.062 1.00 3.65 +ATOM 145 C HIS 10 45.342 56.953 62.346 1.00 3.65 +ATOM 146 O HIS 10 44.635 57.782 61.785 1.00 3.65 +ATOM 147 N MET 11 46.685 57.004 62.335 1.00 3.69 +ATOM 149 CA MET 11 47.556 57.493 61.227 1.00 3.69 +ATOM 151 CB MET 11 46.830 57.876 59.905 1.00 3.69 +ATOM 154 CG MET 11 46.349 59.337 59.784 1.00 3.69 +ATOM 157 SD MET 11 45.444 59.743 58.258 1.00 3.69 +ATOM 158 CE MET 11 43.909 58.822 58.570 1.00 3.69 +ATOM 162 C MET 11 48.707 58.460 61.538 1.00 3.69 +ATOM 163 O MET 11 49.326 59.020 60.625 1.00 3.69 +ATOM 164 N VAL 12 49.015 58.692 62.810 1.00 3.26 +ATOM 166 CA VAL 12 49.767 59.902 63.160 1.00 3.26 +ATOM 168 CB VAL 12 48.795 61.002 63.662 1.00 3.26 +ATOM 170 CG1 VAL 12 47.917 61.514 62.509 1.00 3.26 +ATOM 174 CG2 VAL 12 47.845 60.557 64.789 1.00 3.26 +ATOM 178 C VAL 12 50.911 59.691 64.121 1.00 3.26 +ATOM 179 O VAL 12 50.720 59.457 65.308 1.00 3.26 +ATOM 180 N VAL 13 52.127 59.869 63.620 1.00 3.31 +ATOM 182 CA VAL 13 53.304 60.025 64.477 1.00 3.31 +ATOM 184 CB VAL 13 54.609 59.881 63.716 1.00 3.31 +ATOM 186 CG1 VAL 13 55.613 59.187 64.624 1.00 3.31 +ATOM 190 CG2 VAL 13 54.507 59.060 62.425 1.00 3.31 +ATOM 194 C VAL 13 53.220 61.364 65.183 1.00 3.31 +ATOM 195 O VAL 13 52.861 62.358 64.563 1.00 3.31 +ATOM 196 N ILE 14 53.509 61.405 66.477 1.00 4.20 +ATOM 198 CA ILE 14 53.071 62.518 67.317 1.00 4.20 +ATOM 200 CB ILE 14 51.826 62.132 68.167 1.00 4.20 +ATOM 202 CG2 ILE 14 50.560 62.531 67.393 1.00 4.20 +ATOM 206 CG1 ILE 14 51.669 60.647 68.587 1.00 4.20 +ATOM 209 CD1 ILE 14 52.790 60.073 69.459 1.00 4.20 +ATOM 213 C ILE 14 54.190 63.076 68.186 1.00 4.20 +ATOM 214 O ILE 14 54.694 62.419 69.092 1.00 4.20 +ATOM 215 N HIS 15 54.555 64.326 67.918 1.00 3.96 +ATOM 217 CA HIS 15 55.376 65.128 68.832 1.00 3.96 +ATOM 219 CB HIS 15 55.852 66.380 68.060 1.00 3.96 +ATOM 222 CG HIS 15 57.282 66.337 67.579 1.00 3.96 +ATOM 223 ND1 HIS 15 58.386 66.107 68.394 1.00 3.96 +ATOM 224 CE1 HIS 15 59.466 66.216 67.605 1.00 3.96 +ATOM 226 NE2 HIS 15 59.100 66.497 66.342 1.00 3.96 +ATOM 228 CD2 HIS 15 57.722 66.585 66.310 1.00 3.96 +ATOM 230 C HIS 15 54.534 65.556 70.038 1.00 3.96 +ATOM 231 O HIS 15 53.589 66.315 69.820 1.00 3.96 +ATOM 232 N PRO 16 54.834 65.119 71.278 1.00 5.03 +ATOM 233 CD PRO 16 55.847 64.152 71.668 1.00 5.03 +ATOM 236 CG PRO 16 55.417 63.676 73.053 1.00 5.03 +ATOM 239 CB PRO 16 54.764 64.914 73.669 1.00 5.03 +ATOM 242 CA PRO 16 54.210 65.699 72.468 1.00 5.03 +ATOM 244 C PRO 16 54.542 67.189 72.573 1.00 5.03 +ATOM 245 O PRO 16 53.649 68.006 72.758 1.00 5.03 +ATOM 246 N ASP 17 55.823 67.533 72.401 1.00 5.52 +ATOM 248 CA ASP 17 56.340 68.875 72.665 1.00 5.52 +ATOM 250 CB ASP 17 57.860 68.783 72.874 1.00 5.52 +ATOM 253 CG ASP 17 58.488 70.141 73.185 1.00 5.52 +ATOM 254 OD1 ASP 17 59.165 70.679 72.282 1.00 5.52 +ATOM 255 OD2 ASP 17 58.304 70.597 74.332 1.00 5.52 +ATOM 256 C ASP 17 55.827 69.925 71.649 1.00 5.52 +ATOM 257 O ASP 17 55.023 70.774 72.031 1.00 5.52 +ATOM 258 N PRO 18 56.091 69.804 70.332 1.00 5.58 +ATOM 259 CD PRO 18 57.339 69.305 69.771 1.00 5.58 +ATOM 262 CG PRO 18 57.446 69.888 68.365 1.00 5.58 +ATOM 265 CB PRO 18 55.998 70.145 67.969 1.00 5.58 +ATOM 268 CA PRO 18 55.306 70.481 69.296 1.00 5.58 +ATOM 270 C PRO 18 53.801 70.171 69.198 1.00 5.58 +ATOM 271 O PRO 18 53.169 70.701 68.282 1.00 5.58 +ATOM 272 N GLY 19 53.236 69.292 70.042 1.00 5.49 +ATOM 274 CA GLY 19 51.842 68.823 69.977 1.00 5.49 +ATOM 277 C GLY 19 51.319 68.534 68.578 1.00 5.49 +ATOM 278 O GLY 19 50.184 68.887 68.264 1.00 5.49 +ATOM 279 N ARG 20 52.156 67.948 67.711 1.00 4.73 +ATOM 281 CA ARG 20 51.880 67.855 66.269 1.00 4.73 +ATOM 283 CB ARG 20 52.912 68.625 65.412 1.00 4.73 +ATOM 286 CG ARG 20 52.260 69.691 64.503 1.00 4.73 +ATOM 289 CD ARG 20 52.802 69.704 63.063 1.00 4.73 +ATOM 292 NE ARG 20 52.178 68.658 62.227 1.00 4.73 +ATOM 294 CZ ARG 20 52.284 68.479 60.923 1.00 4.73 +ATOM 295 NH1 ARG 20 53.100 69.148 60.165 1.00 4.73 +ATOM 298 NH2 ARG 20 51.588 67.562 60.337 1.00 4.73 +ATOM 301 C ARG 20 51.757 66.406 65.835 1.00 4.73 +ATOM 302 O ARG 20 52.725 65.641 65.873 1.00 4.73 +ATOM 303 N GLU 21 50.566 66.082 65.355 1.00 4.24 +ATOM 305 CA GLU 21 50.276 64.935 64.497 1.00 4.24 +ATOM 307 CB GLU 21 48.756 64.860 64.299 1.00 4.24 +ATOM 310 CG GLU 21 47.976 64.523 65.572 1.00 4.24 +ATOM 313 CD GLU 21 46.473 64.595 65.289 1.00 4.24 +ATOM 314 OE1 GLU 21 45.863 65.619 65.666 1.00 4.24 +ATOM 315 OE2 GLU 21 45.957 63.635 64.675 1.00 4.24 +ATOM 316 C GLU 21 50.906 65.082 63.113 1.00 4.24 +ATOM 317 O GLU 21 50.884 66.168 62.536 1.00 4.24 +ATOM 318 N LEU 22 51.446 64.000 62.562 1.00 3.51 +ATOM 320 CA LEU 22 52.240 63.967 61.335 1.00 3.51 +ATOM 322 CB LEU 22 53.734 63.986 61.752 1.00 3.51 +ATOM 325 CG LEU 22 54.266 65.252 62.460 1.00 3.51 +ATOM 327 CD1 LEU 22 55.383 64.911 63.447 1.00 3.51 +ATOM 331 CD2 LEU 22 54.847 66.245 61.454 1.00 3.51 +ATOM 335 C LEU 22 51.959 62.658 60.593 1.00 3.51 +ATOM 336 O LEU 22 51.898 61.601 61.221 1.00 3.51 +ATOM 337 N SER 23 51.887 62.684 59.259 1.00 3.08 +ATOM 339 CA SER 23 52.061 61.423 58.523 1.00 3.08 +ATOM 341 CB SER 23 51.792 61.590 57.028 1.00 3.08 +ATOM 344 OG SER 23 52.730 62.436 56.398 1.00 3.08 +ATOM 346 C SER 23 53.452 60.833 58.780 1.00 3.08 +ATOM 347 O SER 23 54.360 61.584 59.175 1.00 3.08 +ATOM 348 N PRO 24 53.663 59.520 58.556 1.00 2.39 +ATOM 349 CD PRO 24 52.703 58.511 58.145 1.00 2.39 +ATOM 352 CG PRO 24 53.408 57.159 58.299 1.00 2.39 +ATOM 355 CB PRO 24 54.878 57.508 58.143 1.00 2.39 +ATOM 358 CA PRO 24 54.960 58.915 58.748 1.00 2.39 +ATOM 360 C PRO 24 56.075 59.705 58.086 1.00 2.39 +ATOM 361 O PRO 24 57.016 60.027 58.793 1.00 2.39 +ATOM 362 N GLU 25 55.949 60.093 56.806 1.00 2.86 +ATOM 364 CA GLU 25 56.981 60.895 56.139 1.00 2.86 +ATOM 366 CB GLU 25 56.568 61.392 54.753 1.00 2.86 +ATOM 369 CG GLU 25 57.776 62.056 54.059 1.00 2.86 +ATOM 372 CD GLU 25 57.490 62.695 52.706 1.00 2.86 +ATOM 373 OE1 GLU 25 56.316 62.826 52.308 1.00 2.86 +ATOM 374 OE2 GLU 25 58.471 63.176 52.091 1.00 2.86 +ATOM 375 C GLU 25 57.311 62.160 56.907 1.00 2.86 +ATOM 376 O GLU 25 58.471 62.463 57.178 1.00 2.86 +ATOM 377 N GLU 26 56.289 62.940 57.237 1.00 3.09 +ATOM 379 CA GLU 26 56.509 64.215 57.880 1.00 3.09 +ATOM 381 CB GLU 26 55.160 64.921 58.123 1.00 3.09 +ATOM 384 CG GLU 26 54.374 65.353 56.874 1.00 3.09 +ATOM 387 CD GLU 26 52.915 65.679 57.247 1.00 3.09 +ATOM 388 OE1 GLU 26 52.006 64.920 56.816 1.00 3.09 +ATOM 389 OE2 GLU 26 52.694 66.627 58.039 1.00 3.09 +ATOM 390 C GLU 26 57.247 64.031 59.222 1.00 3.09 +ATOM 391 O GLU 26 58.057 64.872 59.615 1.00 3.09 +ATOM 392 N ALA 27 57.013 62.905 59.901 1.00 2.39 +ATOM 394 CA ALA 27 57.708 62.534 61.129 1.00 2.39 +ATOM 396 CB ALA 27 56.805 61.589 61.885 1.00 2.39 +ATOM 400 C ALA 27 59.123 61.946 60.948 1.00 2.39 +ATOM 401 O ALA 27 59.946 62.044 61.877 1.00 2.39 +ATOM 402 N HIS 28 59.426 61.414 59.749 1.00 2.42 +ATOM 404 CA HIS 28 60.802 61.197 59.302 1.00 2.42 +ATOM 406 CB HIS 28 60.976 60.710 57.825 1.00 2.42 +ATOM 409 CG HIS 28 60.176 59.616 57.189 1.00 2.42 +ATOM 410 ND1 HIS 28 60.227 59.361 55.817 1.00 2.42 +ATOM 411 CE1 HIS 28 59.387 58.347 55.595 1.00 2.42 +ATOM 413 NE2 HIS 28 58.764 58.004 56.734 1.00 2.42 +ATOM 415 CD2 HIS 28 59.281 58.768 57.756 1.00 2.42 +ATOM 417 C HIS 28 61.520 62.538 59.278 1.00 2.42 +ATOM 418 O HIS 28 62.575 62.701 59.882 1.00 2.42 +ATOM 419 N ARG 29 60.931 63.495 58.546 1.00 3.23 +ATOM 421 CA ARG 29 61.562 64.763 58.201 1.00 3.23 +ATOM 423 CB ARG 29 60.679 65.563 57.220 1.00 3.23 +ATOM 426 CG ARG 29 60.391 64.982 55.818 1.00 3.23 +ATOM 429 CD ARG 29 59.413 65.959 55.133 1.00 3.23 +ATOM 432 NE ARG 29 58.862 65.516 53.834 1.00 3.23 +ATOM 434 CZ ARG 29 57.832 66.080 53.218 1.00 3.23 +ATOM 435 NH1 ARG 29 57.206 67.120 53.706 1.00 3.23 +ATOM 438 NH2 ARG 29 57.389 65.632 52.087 1.00 3.23 +ATOM 441 C ARG 29 61.776 65.640 59.437 1.00 3.23 +ATOM 442 O ARG 29 62.702 66.440 59.475 1.00 3.23 +ATOM 443 N ALA 30 60.894 65.484 60.423 1.00 3.23 +ATOM 445 CA ALA 30 60.960 66.141 61.720 1.00 3.23 +ATOM 447 CB ALA 30 59.530 66.532 62.120 1.00 3.23 +ATOM 451 C ALA 30 61.643 65.294 62.811 1.00 3.23 +ATOM 452 O ALA 30 61.674 65.723 63.966 1.00 3.23 +ATOM 453 N GLY 31 62.185 64.116 62.469 1.00 2.79 +ATOM 455 CA GLY 31 63.093 63.363 63.341 1.00 2.79 +ATOM 458 C GLY 31 62.434 62.833 64.608 1.00 2.79 +ATOM 459 O GLY 31 63.106 62.558 65.599 1.00 2.79 +ATOM 460 N LEU 32 61.104 62.753 64.588 1.00 2.29 +ATOM 462 CA LEU 32 60.290 62.255 65.689 1.00 2.29 +ATOM 464 CB LEU 32 58.946 63.004 65.629 1.00 2.29 +ATOM 467 CG LEU 32 57.950 62.819 66.793 1.00 2.29 +ATOM 469 CD1 LEU 32 57.017 61.643 66.542 1.00 2.29 +ATOM 473 CD2 LEU 32 58.579 62.679 68.180 1.00 2.29 +ATOM 477 C LEU 32 60.133 60.740 65.593 1.00 2.29 +ATOM 478 O LEU 32 60.018 60.062 66.613 1.00 2.29 +ATOM 479 N ILE 33 60.233 60.199 64.374 1.00 2.11 +ATOM 481 CA ILE 33 60.600 58.787 64.219 1.00 2.11 +ATOM 483 CB ILE 33 59.513 57.925 63.572 1.00 2.11 +ATOM 485 CG2 ILE 33 58.541 57.555 64.702 1.00 2.11 +ATOM 489 CG1 ILE 33 58.880 58.622 62.356 1.00 2.11 +ATOM 492 CD1 ILE 33 57.966 57.688 61.565 1.00 2.11 +ATOM 496 C ILE 33 61.985 58.636 63.589 1.00 2.11 +ATOM 497 O ILE 33 62.550 59.597 63.074 1.00 2.11 +ATOM 498 N ASP 34 62.549 57.429 63.663 1.00 2.86 +ATOM 500 CA ASP 34 63.791 57.039 62.981 1.00 2.86 +ATOM 502 CB ASP 34 64.733 56.260 63.939 1.00 2.86 +ATOM 505 CG ASP 34 64.762 54.733 63.695 1.00 2.86 +ATOM 506 OD1 ASP 34 65.649 54.267 62.941 1.00 2.86 +ATOM 507 OD2 ASP 34 63.837 54.029 64.146 1.00 2.86 +ATOM 508 C ASP 34 63.524 56.179 61.753 1.00 2.86 +ATOM 509 O ASP 34 62.445 55.636 61.674 1.00 2.86 +ATOM 510 N TRP 35 64.482 55.981 60.845 1.00 3.72 +ATOM 512 CA TRP 35 64.293 55.255 59.578 1.00 3.72 +ATOM 514 CB TRP 35 65.651 55.129 58.871 1.00 3.72 +ATOM 517 CG TRP 35 66.212 56.392 58.276 1.00 3.72 +ATOM 518 CD1 TRP 35 66.487 57.538 58.943 1.00 3.72 +ATOM 520 NE1 TRP 35 66.973 58.487 58.069 1.00 3.72 +ATOM 522 CE2 TRP 35 67.049 58.000 56.784 1.00 3.72 +ATOM 523 CZ2 TRP 35 67.467 58.563 55.570 1.00 3.72 +ATOM 525 CH2 TRP 35 67.468 57.769 54.411 1.00 3.72 +ATOM 527 CZ3 TRP 35 67.038 56.431 54.479 1.00 3.72 +ATOM 529 CE3 TRP 35 66.590 55.886 55.699 1.00 3.72 +ATOM 531 CD2 TRP 35 66.586 56.653 56.886 1.00 3.72 +ATOM 532 C TRP 35 63.611 53.878 59.694 1.00 3.72 +ATOM 533 O TRP 35 62.672 53.540 58.951 1.00 3.72 +ATOM 534 N ASN 36 64.073 53.085 60.656 1.00 3.99 +ATOM 536 CA ASN 36 63.539 51.753 60.916 1.00 3.99 +ATOM 538 CB ASN 36 64.469 51.064 61.927 1.00 3.99 +ATOM 541 CG ASN 36 65.918 51.054 61.471 1.00 3.99 +ATOM 542 OD1 ASN 36 66.311 50.311 60.588 1.00 3.99 +ATOM 543 ND2 ASN 36 66.746 51.901 62.034 1.00 3.99 +ATOM 546 C ASN 36 62.098 51.853 61.455 1.00 3.99 +ATOM 547 O ASN 36 61.161 51.191 60.971 1.00 3.99 +ATOM 548 N MET 37 61.899 52.773 62.402 1.00 3.28 +ATOM 550 CA MET 37 60.565 53.165 62.812 1.00 3.28 +ATOM 552 CB MET 37 60.578 54.139 63.999 1.00 3.28 +ATOM 555 CG MET 37 60.817 53.404 65.321 1.00 3.28 +ATOM 558 SD MET 37 60.692 54.456 66.794 1.00 3.28 +ATOM 559 CE MET 37 62.329 55.230 66.764 1.00 3.28 +ATOM 563 C MET 37 59.663 53.689 61.669 1.00 3.28 +ATOM 564 O MET 37 58.474 53.387 61.685 1.00 3.28 +ATOM 565 N PHE 38 60.170 54.383 60.643 1.00 3.13 +ATOM 567 CA PHE 38 59.411 54.844 59.479 1.00 3.13 +ATOM 569 CB PHE 38 60.263 55.512 58.358 1.00 3.13 +ATOM 572 CG PHE 38 61.231 56.654 58.577 1.00 3.13 +ATOM 573 CD1 PHE 38 61.282 57.381 59.773 1.00 3.13 +ATOM 575 CE1 PHE 38 62.289 58.340 59.958 1.00 3.13 +ATOM 577 CZ PHE 38 63.239 58.597 58.963 1.00 3.13 +ATOM 579 CE2 PHE 38 63.152 57.923 57.740 1.00 3.13 +ATOM 581 CD2 PHE 38 62.134 56.971 57.536 1.00 3.13 +ATOM 583 C PHE 38 58.837 53.637 58.771 1.00 3.13 +ATOM 584 O PHE 38 57.641 53.618 58.469 1.00 3.13 +ATOM 585 N VAL 39 59.694 52.653 58.445 1.00 4.12 +ATOM 587 CA VAL 39 59.197 51.522 57.663 1.00 4.12 +ATOM 589 CB VAL 39 60.312 50.636 57.060 1.00 4.12 +ATOM 591 CG1 VAL 39 61.314 50.073 58.066 1.00 4.12 +ATOM 595 CG2 VAL 39 59.735 49.466 56.251 1.00 4.12 +ATOM 599 C VAL 39 58.155 50.720 58.450 1.00 4.12 +ATOM 600 O VAL 39 57.096 50.363 57.903 1.00 4.12 +ATOM 601 N LYS 40 58.383 50.512 59.756 1.00 4.18 +ATOM 603 CA LYS 40 57.384 49.770 60.539 1.00 4.18 +ATOM 605 CB LYS 40 57.989 49.280 61.867 1.00 4.18 +ATOM 608 CG LYS 40 57.167 48.168 62.556 1.00 4.18 +ATOM 611 CD LYS 40 57.059 46.870 61.726 1.00 4.18 +ATOM 614 CE LYS 40 56.499 45.676 62.520 1.00 4.18 +ATOM 617 NZ LYS 40 55.033 45.757 62.735 1.00 4.18 +ATOM 621 C LYS 40 56.054 50.511 60.734 1.00 4.18 +ATOM 622 O LYS 40 55.001 49.877 60.636 1.00 4.18 +ATOM 623 N LEU 41 56.094 51.831 60.924 1.00 3.23 +ATOM 625 CA LEU 41 54.897 52.672 61.014 1.00 3.23 +ATOM 627 CB LEU 41 55.228 54.061 61.574 1.00 3.23 +ATOM 630 CG LEU 41 55.482 53.971 63.091 1.00 3.23 +ATOM 632 CD1 LEU 41 56.201 55.211 63.578 1.00 3.23 +ATOM 636 CD2 LEU 41 54.201 53.868 63.919 1.00 3.23 +ATOM 640 C LEU 41 54.116 52.706 59.715 1.00 3.23 +ATOM 641 O LEU 41 52.918 52.515 59.774 1.00 3.23 +ATOM 642 N ARG 42 54.772 52.761 58.552 1.00 3.70 +ATOM 644 CA ARG 42 54.103 52.569 57.249 1.00 3.70 +ATOM 646 CB ARG 42 55.115 52.685 56.115 1.00 3.70 +ATOM 649 CG ARG 42 55.656 54.112 56.024 1.00 3.70 +ATOM 652 CD ARG 42 57.037 54.089 55.376 1.00 3.70 +ATOM 655 NE ARG 42 56.960 53.848 53.929 1.00 3.70 +ATOM 657 CZ ARG 42 57.432 52.822 53.256 1.00 3.70 +ATOM 658 NH1 ARG 42 57.805 51.706 53.802 1.00 3.70 +ATOM 661 NH2 ARG 42 57.531 52.904 51.974 1.00 3.70 +ATOM 664 C ARG 42 53.384 51.229 57.165 1.00 3.70 +ATOM 665 O ARG 42 52.218 51.227 56.799 1.00 3.70 +ATOM 666 N SER 43 54.004 50.118 57.582 1.00 4.48 +ATOM 668 CA SER 43 53.232 48.864 57.662 1.00 4.48 +ATOM 670 CB SER 43 54.095 47.692 58.132 1.00 4.48 +ATOM 673 OG SER 43 53.401 46.465 57.972 1.00 4.48 +ATOM 675 C SER 43 51.997 48.947 58.556 1.00 4.48 +ATOM 676 O SER 43 50.921 48.514 58.162 1.00 4.48 +ATOM 677 N GLN 44 52.142 49.559 59.726 1.00 4.03 +ATOM 679 CA GLN 44 51.060 49.705 60.706 1.00 4.03 +ATOM 681 CB GLN 44 51.743 50.065 62.021 1.00 4.03 +ATOM 684 CG GLN 44 52.295 48.733 62.572 1.00 4.03 +ATOM 687 CD GLN 44 53.243 48.798 63.756 1.00 4.03 +ATOM 688 OE1 GLN 44 53.991 47.868 64.005 1.00 4.03 +ATOM 689 NE2 GLN 44 53.305 49.843 64.529 1.00 4.03 +ATOM 692 C GLN 44 49.994 50.718 60.237 1.00 4.03 +ATOM 693 O GLN 44 48.878 50.743 60.742 1.00 4.03 +ATOM 694 N GLU 45 50.292 51.502 59.202 1.00 3.74 +ATOM 696 CA GLU 45 49.361 52.381 58.516 1.00 3.74 +ATOM 698 CB GLU 45 50.145 53.570 57.892 1.00 3.74 +ATOM 701 CG GLU 45 49.273 54.755 57.430 1.00 3.74 +ATOM 704 CD GLU 45 50.128 55.945 56.954 1.00 3.74 +ATOM 705 OE1 GLU 45 50.709 55.863 55.847 1.00 3.74 +ATOM 706 OE2 GLU 45 50.239 56.943 57.706 1.00 3.74 +ATOM 707 C GLU 45 48.700 51.666 57.329 1.00 3.74 +ATOM 708 O GLU 45 47.592 51.968 56.912 1.00 3.74 +ATOM 709 N CYS 46 49.357 50.655 56.782 1.00 4.42 +ATOM 711 CA CYS 46 48.731 49.614 55.995 1.00 4.42 +ATOM 713 CB CYS 46 49.834 48.916 55.178 1.00 4.42 +ATOM 716 SG CYS 46 50.471 50.033 53.900 1.00 4.42 +ATOM 718 C CYS 46 47.959 48.617 56.849 1.00 4.42 +ATOM 719 O CYS 46 47.398 47.684 56.288 1.00 4.42 +ATOM 720 N ASP 47 47.852 48.857 58.153 1.00 5.25 +ATOM 722 CA ASP 47 46.735 48.370 58.952 1.00 5.25 +ATOM 724 CB ASP 47 47.272 47.736 60.247 1.00 5.25 +ATOM 727 CG ASP 47 48.275 46.600 59.941 1.00 5.25 +ATOM 728 OD1 ASP 47 47.856 45.580 59.349 1.00 5.25 +ATOM 729 OD2 ASP 47 49.460 46.722 60.334 1.00 5.25 +ATOM 730 C ASP 47 45.575 49.397 59.064 1.00 5.25 +ATOM 731 O ASP 47 44.550 49.074 59.653 1.00 5.25 +ATOM 732 N TRP 48 45.639 50.580 58.411 1.00 5.39 +ATOM 734 CA TRP 48 44.471 51.448 58.121 1.00 5.39 +ATOM 736 CB TRP 48 44.850 52.897 57.768 1.00 5.39 +ATOM 739 CG TRP 48 43.723 53.862 57.500 1.00 5.39 +ATOM 740 CD1 TRP 48 43.741 54.787 56.511 1.00 5.39 +ATOM 742 NE1 TRP 48 42.559 55.499 56.504 1.00 5.39 +ATOM 744 CE2 TRP 48 41.704 55.060 57.490 1.00 5.39 +ATOM 745 CZ2 TRP 48 40.408 55.447 57.860 1.00 5.39 +ATOM 747 CH2 TRP 48 39.783 54.803 58.941 1.00 5.39 +ATOM 749 CZ3 TRP 48 40.465 53.792 59.638 1.00 5.39 +ATOM 751 CE3 TRP 48 41.766 53.411 59.257 1.00 5.39 +ATOM 753 CD2 TRP 48 42.425 54.028 58.166 1.00 5.39 +ATOM 754 C TRP 48 43.578 50.858 57.035 1.00 5.39 +ATOM 755 O TRP 48 44.067 50.281 56.063 1.00 5.39 +ATOM 756 N GLU 49 42.261 50.934 57.252 1.00 4.83 +ATOM 758 CA GLU 49 41.262 50.038 56.652 1.00 4.83 +ATOM 760 CB GLU 49 40.832 50.577 55.268 1.00 4.83 +ATOM 763 CG GLU 49 39.372 50.290 54.879 1.00 4.83 +ATOM 766 CD GLU 49 39.050 50.830 53.475 1.00 4.83 +ATOM 767 OE1 GLU 49 38.217 51.754 53.333 1.00 4.83 +ATOM 768 OE2 GLU 49 39.640 50.362 52.468 1.00 4.83 +ATOM 769 C GLU 49 41.709 48.543 56.593 1.00 4.83 +ATOM 770 O GLU 49 41.159 47.754 55.831 1.00 4.83 +ATOM 771 N GLU 50 42.711 48.170 57.401 1.00 5.06 +ATOM 773 CA GLU 50 43.168 46.819 57.709 1.00 5.06 +ATOM 775 CB GLU 50 42.082 46.104 58.543 1.00 5.06 +ATOM 778 CG GLU 50 41.747 46.863 59.845 1.00 5.06 +ATOM 781 CD GLU 50 40.546 46.255 60.576 1.00 5.06 +ATOM 782 OE1 GLU 50 40.602 45.043 60.883 1.00 5.06 +ATOM 783 OE2 GLU 50 39.576 47.002 60.848 1.00 5.06 +ATOM 784 C GLU 50 43.757 45.952 56.571 1.00 5.06 +ATOM 785 O GLU 50 43.356 44.810 56.330 1.00 5.06 +ATOM 786 N ILE 51 44.778 46.451 55.869 1.00 5.51 +ATOM 788 CA ILE 51 45.160 45.968 54.535 1.00 5.51 +ATOM 790 CB ILE 51 44.911 47.046 53.437 1.00 5.51 +ATOM 792 CG2 ILE 51 43.420 47.417 53.378 1.00 5.51 +ATOM 796 CG1 ILE 51 45.701 48.365 53.566 1.00 5.51 +ATOM 799 CD1 ILE 51 47.137 48.260 53.061 1.00 5.51 +ATOM 803 C ILE 51 46.434 45.117 54.353 1.00 5.51 +ATOM 804 O ILE 51 47.047 45.136 53.282 1.00 5.51 +ATOM 805 N SER 52 46.737 44.257 55.331 1.00 5.50 +ATOM 807 CA SER 52 47.361 42.923 55.133 1.00 5.50 +ATOM 809 CB SER 52 46.279 41.828 55.022 1.00 5.50 +ATOM 812 OG SER 52 45.166 42.207 54.228 1.00 5.50 +ATOM 814 C SER 52 48.458 42.794 54.069 1.00 5.50 +ATOM 815 O SER 52 48.281 42.224 52.987 1.00 5.50 +ATOM 816 N VAL 53 49.643 43.306 54.395 1.00 6.21 +ATOM 818 CA VAL 53 50.884 43.064 53.649 1.00 6.21 +ATOM 820 CB VAL 53 52.092 43.692 54.374 1.00 6.21 +ATOM 822 CG1 VAL 53 52.079 45.221 54.235 1.00 6.21 +ATOM 826 CG2 VAL 53 52.184 43.348 55.869 1.00 6.21 +ATOM 830 C VAL 53 51.147 41.601 53.348 1.00 6.21 +ATOM 831 O VAL 53 50.938 40.736 54.200 1.00 6.21 +ATOM 832 N LYS 54 51.639 41.345 52.137 1.00 6.78 +ATOM 834 CA LYS 54 52.102 39.975 51.800 1.00 6.78 +ATOM 836 CB LYS 54 51.464 39.568 50.442 1.00 6.78 +ATOM 839 CG LYS 54 49.931 39.444 50.521 1.00 6.78 +ATOM 842 CD LYS 54 49.192 40.058 49.315 1.00 6.78 +ATOM 845 CE LYS 54 49.378 41.579 49.206 1.00 6.78 +ATOM 848 NZ LYS 54 48.761 42.319 50.334 1.00 6.78 +ATOM 852 C LYS 54 53.607 39.814 51.782 1.00 6.78 +ATOM 853 O LYS 54 54.156 38.820 51.379 1.00 6.78 +ATOM 854 N GLY 55 54.270 40.885 52.258 1.00 6.84 +ATOM 856 CA GLY 55 55.697 40.961 52.351 1.00 6.84 +ATOM 859 C GLY 55 56.148 42.283 53.002 1.00 6.84 +ATOM 860 O GLY 55 55.356 43.241 53.076 1.00 6.84 +ATOM 861 N PRO 56 57.407 42.402 53.442 1.00 6.33 +ATOM 862 CD PRO 56 58.073 41.450 54.328 1.00 6.33 +ATOM 865 CG PRO 56 59.525 41.931 54.451 1.00 6.33 +ATOM 868 CB PRO 56 59.471 43.398 54.008 1.00 6.33 +ATOM 871 CA PRO 56 58.368 43.387 52.944 1.00 6.33 +ATOM 873 C PRO 56 58.948 42.956 51.570 1.00 6.33 +ATOM 874 O PRO 56 59.646 43.723 50.907 1.00 6.33 +ATOM 875 N ASN 57 58.641 41.724 51.138 1.00 5.16 +ATOM 877 CA ASN 57 58.771 41.139 49.798 1.00 5.16 +ATOM 879 CB ASN 57 58.369 39.643 49.855 1.00 5.16 +ATOM 882 CG ASN 57 59.127 38.809 50.880 1.00 5.16 +ATOM 883 OD1 ASN 57 59.194 39.126 52.049 1.00 5.16 +ATOM 884 ND2 ASN 57 59.704 37.700 50.472 1.00 5.16 +ATOM 887 C ASN 57 57.980 41.908 48.719 1.00 5.16 +ATOM 888 O ASN 57 57.036 41.381 48.109 1.00 5.16 +ATOM 889 N GLY 58 58.287 43.189 48.572 1.00 5.39 +ATOM 891 CA GLY 58 57.248 44.204 48.470 1.00 5.39 +ATOM 894 C GLY 58 56.624 44.398 49.839 1.00 5.39 +ATOM 895 O GLY 58 56.015 43.466 50.357 1.00 5.39 +ATOM 896 N GLU 59 56.580 45.640 50.312 1.00 5.68 +ATOM 898 CA GLU 59 55.385 46.216 50.966 1.00 5.68 +ATOM 900 CB GLU 59 55.734 47.625 51.493 1.00 5.68 +ATOM 903 CG GLU 59 56.271 48.584 50.413 1.00 5.68 +ATOM 906 CD GLU 59 56.578 49.960 51.001 1.00 5.68 +ATOM 907 OE1 GLU 59 57.667 50.137 51.592 1.00 5.68 +ATOM 908 OE2 GLU 59 55.767 50.901 50.852 1.00 5.68 +ATOM 909 C GLU 59 54.173 46.229 50.009 1.00 5.68 +ATOM 910 O GLU 59 53.468 47.213 49.805 1.00 5.68 +ATOM 911 N SER 60 53.995 45.088 49.345 1.00 4.51 +ATOM 913 CA SER 60 52.899 44.695 48.500 1.00 4.51 +ATOM 915 CB SER 60 53.199 43.280 47.974 1.00 4.51 +ATOM 918 OG SER 60 52.107 42.718 47.275 1.00 4.51 +ATOM 920 C SER 60 51.638 44.738 49.377 1.00 4.51 +ATOM 921 O SER 60 51.251 43.801 50.113 1.00 4.51 +ATOM 922 N SER 61 51.090 45.950 49.318 1.00 4.11 +ATOM 924 CA SER 61 49.888 46.457 49.950 1.00 4.11 +ATOM 926 CB SER 61 50.058 46.590 51.465 1.00 4.11 +ATOM 929 OG SER 61 50.996 47.594 51.764 1.00 4.11 +ATOM 931 C SER 61 49.330 47.754 49.365 1.00 4.11 +ATOM 932 O SER 61 48.111 47.904 49.279 1.00 4.11 +ATOM 933 N VAL 62 50.232 48.625 48.914 1.00 2.79 +ATOM 935 CA VAL 62 50.046 50.023 48.511 1.00 2.79 +ATOM 937 CB VAL 62 49.765 50.286 47.034 1.00 2.79 +ATOM 939 CG1 VAL 62 50.932 49.791 46.177 1.00 2.79 +ATOM 943 CG2 VAL 62 48.387 49.841 46.570 1.00 2.79 +ATOM 947 C VAL 62 49.229 50.883 49.449 1.00 2.79 +ATOM 948 O VAL 62 48.050 50.644 49.716 1.00 2.79 +ATOM 949 N ILE 63 49.911 51.888 49.986 1.00 2.90 +ATOM 951 CA ILE 63 49.370 52.701 51.053 1.00 2.90 +ATOM 953 CB ILE 63 50.415 53.710 51.606 1.00 2.90 +ATOM 955 CG2 ILE 63 49.919 54.343 52.925 1.00 2.90 +ATOM 959 CG1 ILE 63 51.787 53.017 51.823 1.00 2.90 +ATOM 962 CD1 ILE 63 52.804 53.809 52.654 1.00 2.90 +ATOM 966 C ILE 63 48.077 53.378 50.591 1.00 2.90 +ATOM 967 O ILE 63 47.891 53.746 49.420 1.00 2.90 +ATOM 968 N HIS 64 47.164 53.517 51.550 1.00 3.29 +ATOM 970 CA HIS 64 45.987 54.353 51.404 1.00 3.29 +ATOM 972 CB HIS 64 45.179 54.352 52.696 1.00 3.29 +ATOM 975 CG HIS 64 44.389 53.094 52.819 1.00 3.29 +ATOM 976 ND1 HIS 64 43.293 52.765 52.027 1.00 3.29 +ATOM 977 CE1 HIS 64 42.785 51.644 52.560 1.00 3.29 +ATOM 979 NE2 HIS 64 43.570 51.220 53.561 1.00 3.29 +ATOM 981 CD2 HIS 64 44.585 52.125 53.748 1.00 3.29 +ATOM 983 C HIS 64 46.340 55.787 51.033 1.00 3.29 +ATOM 984 O HIS 64 47.378 56.319 51.433 1.00 3.29 +ATOM 985 N ASP 65 45.433 56.442 50.318 1.00 3.37 +ATOM 987 CA ASP 65 45.412 57.889 50.268 1.00 3.37 +ATOM 989 CB ASP 65 45.036 58.395 48.880 1.00 3.37 +ATOM 992 CG ASP 65 45.522 59.833 48.711 1.00 3.37 +ATOM 993 OD1 ASP 65 46.305 60.098 47.779 1.00 3.37 +ATOM 994 OD2 ASP 65 45.181 60.721 49.525 1.00 3.37 +ATOM 995 C ASP 65 44.566 58.489 51.393 1.00 3.37 +ATOM 996 O ASP 65 43.430 58.093 51.629 1.00 3.37 +ATOM 997 N ARG 66 45.142 59.484 52.070 1.00 4.08 +ATOM 999 CA ARG 66 44.557 60.276 53.160 1.00 4.08 +ATOM 1001 CB ARG 66 45.622 61.321 53.595 1.00 4.08 +ATOM 1004 CG ARG 66 46.964 60.728 54.099 1.00 4.08 +ATOM 1007 CD ARG 66 48.191 61.646 53.894 1.00 4.08 +ATOM 1010 NE ARG 66 48.294 62.737 54.884 1.00 4.08 +ATOM 1012 CZ ARG 66 49.374 63.466 55.149 1.00 4.08 +ATOM 1013 NH1 ARG 66 50.455 63.473 54.424 1.00 4.08 +ATOM 1016 NH2 ARG 66 49.415 64.225 56.203 1.00 4.08 +ATOM 1019 C ARG 66 43.244 60.986 52.794 1.00 4.08 +ATOM 1020 O ARG 66 42.561 61.483 53.680 1.00 4.08 +ATOM 1021 N LYS 67 42.888 61.021 51.508 1.00 4.43 +ATOM 1023 CA LYS 67 41.569 61.396 50.975 1.00 4.43 +ATOM 1025 CB LYS 67 41.640 62.797 50.319 1.00 4.43 +ATOM 1028 CG LYS 67 42.846 63.153 49.412 1.00 4.43 +ATOM 1031 CD LYS 67 42.884 62.513 48.009 1.00 4.43 +ATOM 1034 CE LYS 67 44.010 63.108 47.141 1.00 4.43 +ATOM 1037 NZ LYS 67 45.349 62.572 47.496 1.00 4.43 +ATOM 1041 C LYS 67 41.095 60.302 50.019 1.00 4.43 +ATOM 1042 O LYS 67 41.892 59.661 49.342 1.00 4.43 +ATOM 1043 N SER 68 39.790 60.049 50.001 1.00 4.32 +ATOM 1045 CA SER 68 39.161 58.855 49.404 1.00 4.32 +ATOM 1047 CB SER 68 39.309 58.842 47.876 1.00 4.32 +ATOM 1050 OG SER 68 38.432 57.882 47.324 1.00 4.32 +ATOM 1052 C SER 68 39.567 57.496 49.982 1.00 4.32 +ATOM 1053 O SER 68 38.828 56.541 49.756 1.00 4.32 +ATOM 1054 N GLY 69 40.678 57.372 50.719 1.00 3.95 +ATOM 1056 CA GLY 69 41.056 56.132 51.397 1.00 3.95 +ATOM 1059 C GLY 69 41.189 54.934 50.469 1.00 3.95 +ATOM 1060 O GLY 69 40.699 53.861 50.802 1.00 3.95 +ATOM 1061 N LYS 70 41.758 55.116 49.269 1.00 3.40 +ATOM 1063 CA LYS 70 41.952 54.020 48.304 1.00 3.40 +ATOM 1065 CB LYS 70 40.844 53.999 47.228 1.00 3.40 +ATOM 1068 CG LYS 70 39.452 53.640 47.812 1.00 3.40 +ATOM 1071 CD LYS 70 39.275 52.183 48.308 1.00 3.40 +ATOM 1074 CE LYS 70 38.118 52.029 49.320 1.00 3.40 +ATOM 1077 NZ LYS 70 38.580 52.155 50.726 1.00 3.40 +ATOM 1081 C LYS 70 43.402 53.875 47.849 1.00 3.40 +ATOM 1082 O LYS 70 44.270 54.616 48.297 1.00 3.40 +ATOM 1083 N LYS 71 43.695 52.776 47.148 1.00 2.89 +ATOM 1085 CA LYS 71 44.969 52.048 47.278 1.00 2.89 +ATOM 1087 CB LYS 71 44.682 50.527 47.252 1.00 2.89 +ATOM 1090 CG LYS 71 43.605 49.999 48.218 1.00 2.89 +ATOM 1093 CD LYS 71 43.693 50.472 49.678 1.00 2.89 +ATOM 1096 CE LYS 71 45.095 50.475 50.301 1.00 2.89 +ATOM 1099 NZ LYS 71 45.780 49.172 50.175 1.00 2.89 +ATOM 1103 C LYS 71 45.957 52.446 46.189 1.00 2.89 +ATOM 1104 O LYS 71 45.825 52.002 45.051 1.00 2.89 +ATOM 1105 N PHE 72 46.935 53.276 46.537 1.00 2.26 +ATOM 1107 CA PHE 72 47.669 54.030 45.521 1.00 2.26 +ATOM 1109 CB PHE 72 47.424 55.529 45.769 1.00 2.26 +ATOM 1112 CG PHE 72 46.268 56.105 44.969 1.00 2.26 +ATOM 1113 CD1 PHE 72 45.053 56.443 45.594 1.00 2.26 +ATOM 1115 CE1 PHE 72 44.000 57.006 44.851 1.00 2.26 +ATOM 1117 CZ PHE 72 44.158 57.237 43.473 1.00 2.26 +ATOM 1119 CE2 PHE 72 45.366 56.895 42.841 1.00 2.26 +ATOM 1121 CD2 PHE 72 46.410 56.325 43.586 1.00 2.26 +ATOM 1123 C PHE 72 49.138 53.657 45.523 1.00 2.26 +ATOM 1124 O PHE 72 49.764 53.662 46.581 1.00 2.26 +ATOM 1125 N SER 73 49.649 53.322 44.334 1.00 1.71 +ATOM 1127 CA SER 73 51.008 52.831 44.072 1.00 1.71 +ATOM 1129 CB SER 73 51.310 52.944 42.575 1.00 1.71 +ATOM 1132 OG SER 73 50.237 52.403 41.831 1.00 1.71 +ATOM 1134 C SER 73 52.081 53.569 44.855 1.00 1.71 +ATOM 1135 O SER 73 51.934 54.736 45.191 1.00 1.71 +ATOM 1136 N ILE 74 53.212 52.918 45.082 1.00 1.65 +ATOM 1138 CA ILE 74 54.378 53.550 45.709 1.00 1.65 +ATOM 1140 CB ILE 74 55.521 52.518 45.783 1.00 1.65 +ATOM 1142 CG2 ILE 74 55.104 51.321 46.666 1.00 1.65 +ATOM 1146 CG1 ILE 74 56.100 52.010 44.445 1.00 1.65 +ATOM 1149 CD1 ILE 74 55.190 51.282 43.444 1.00 1.65 +ATOM 1153 C ILE 74 54.786 54.879 45.031 1.00 1.65 +ATOM 1154 O ILE 74 55.026 55.883 45.701 1.00 1.65 +ATOM 1155 N GLU 75 54.696 54.929 43.698 1.00 1.60 +ATOM 1157 CA GLU 75 54.789 56.163 42.910 1.00 1.60 +ATOM 1159 CB GLU 75 54.595 55.839 41.416 1.00 1.60 +ATOM 1162 CG GLU 75 55.636 54.873 40.829 1.00 1.60 +ATOM 1165 CD GLU 75 57.080 55.365 40.998 1.00 1.60 +ATOM 1166 OE1 GLU 75 57.294 56.599 41.017 1.00 1.60 +ATOM 1167 OE2 GLU 75 57.956 54.492 41.155 1.00 1.60 +ATOM 1168 C GLU 75 53.771 57.239 43.301 1.00 1.60 +ATOM 1169 O GLU 75 54.124 58.398 43.486 1.00 1.60 +ATOM 1170 N GLU 76 52.511 56.849 43.471 1.00 1.90 +ATOM 1172 CA GLU 76 51.373 57.732 43.739 1.00 1.90 +ATOM 1174 CB GLU 76 50.075 56.941 43.540 1.00 1.90 +ATOM 1177 CG GLU 76 49.891 56.390 42.116 1.00 1.90 +ATOM 1180 CD GLU 76 49.193 57.401 41.205 1.00 1.90 +ATOM 1181 OE1 GLU 76 49.743 58.512 41.044 1.00 1.90 +ATOM 1182 OE2 GLU 76 48.108 57.039 40.701 1.00 1.90 +ATOM 1183 C GLU 76 51.448 58.333 45.147 1.00 1.90 +ATOM 1184 O GLU 76 51.097 59.490 45.384 1.00 1.90 +ATOM 1185 N ALA 77 51.967 57.549 46.092 1.00 2.01 +ATOM 1187 CA ALA 77 52.353 57.979 47.426 1.00 2.01 +ATOM 1189 CB ALA 77 52.690 56.724 48.234 1.00 2.01 +ATOM 1193 C ALA 77 53.479 59.025 47.380 1.00 2.01 +ATOM 1194 O ALA 77 53.342 60.103 47.975 1.00 2.01 +ATOM 1195 N LEU 78 54.540 58.755 46.611 1.00 1.90 +ATOM 1197 CA LEU 78 55.615 59.727 46.384 1.00 1.90 +ATOM 1199 CB LEU 78 56.668 59.078 45.453 1.00 1.90 +ATOM 1202 CG LEU 78 58.126 59.522 45.670 1.00 1.90 +ATOM 1204 CD1 LEU 78 59.035 58.758 44.706 1.00 1.90 +ATOM 1208 CD2 LEU 78 58.345 61.016 45.438 1.00 1.90 +ATOM 1212 C LEU 78 55.077 61.066 45.857 1.00 1.90 +ATOM 1213 O LEU 78 55.315 62.094 46.487 1.00 1.90 +ATOM 1214 N GLN 79 54.250 61.056 44.808 1.00 2.37 +ATOM 1216 CA GLN 79 53.659 62.290 44.277 1.00 2.37 +ATOM 1218 CB GLN 79 53.017 62.066 42.895 1.00 2.37 +ATOM 1221 CG GLN 79 53.844 61.294 41.843 1.00 2.37 +ATOM 1224 CD GLN 79 55.360 61.512 41.881 1.00 2.37 +ATOM 1225 OE1 GLN 79 55.867 62.612 42.034 1.00 2.37 +ATOM 1226 NE2 GLN 79 56.151 60.467 41.750 1.00 2.37 +ATOM 1229 C GLN 79 52.669 62.971 45.238 1.00 2.37 +ATOM 1230 O GLN 79 52.443 64.177 45.155 1.00 2.37 +ATOM 1231 N SER 80 52.099 62.222 46.187 1.00 2.76 +ATOM 1233 CA SER 80 51.234 62.783 47.233 1.00 2.76 +ATOM 1235 CB SER 80 50.323 61.683 47.796 1.00 2.76 +ATOM 1238 OG SER 80 49.531 61.047 46.813 1.00 2.76 +ATOM 1240 C SER 80 52.008 63.333 48.427 1.00 2.76 +ATOM 1241 O SER 80 51.368 63.832 49.354 1.00 2.76 +ATOM 1242 N GLY 81 53.336 63.152 48.465 1.00 2.77 +ATOM 1244 CA GLY 81 54.151 63.468 49.635 1.00 2.77 +ATOM 1247 C GLY 81 53.665 62.671 50.842 1.00 2.77 +ATOM 1248 O GLY 81 53.243 63.223 51.863 1.00 2.77 +ATOM 1249 N ARG 82 53.618 61.349 50.654 1.00 2.78 +ATOM 1251 CA ARG 82 53.370 60.376 51.717 1.00 2.78 +ATOM 1253 CB ARG 82 52.324 59.327 51.273 1.00 2.78 +ATOM 1256 CG ARG 82 50.882 59.845 51.439 1.00 2.78 +ATOM 1259 CD ARG 82 49.802 58.818 51.033 1.00 2.78 +ATOM 1262 NE ARG 82 49.330 59.009 49.643 1.00 2.78 +ATOM 1264 CZ ARG 82 48.936 58.085 48.788 1.00 2.78 +ATOM 1265 NH1 ARG 82 48.794 56.835 49.108 1.00 2.78 +ATOM 1268 NH2 ARG 82 48.669 58.412 47.566 1.00 2.78 +ATOM 1271 C ARG 82 54.641 59.759 52.281 1.00 2.78 +ATOM 1272 O ARG 82 54.551 59.186 53.364 1.00 2.78 +ATOM 1273 N LEU 83 55.786 59.878 51.589 1.00 2.45 +ATOM 1275 CA LEU 83 57.113 59.335 51.933 1.00 2.45 +ATOM 1277 CB LEU 83 57.213 57.856 51.499 1.00 2.45 +ATOM 1280 CG LEU 83 56.457 56.794 52.311 1.00 2.45 +ATOM 1282 CD1 LEU 83 56.650 56.942 53.821 1.00 2.45 +ATOM 1286 CD2 LEU 83 54.980 56.619 51.959 1.00 2.45 +ATOM 1290 C LEU 83 58.252 60.070 51.238 1.00 2.45 +ATOM 1291 O LEU 83 58.077 60.606 50.147 1.00 2.45 +ATOM 1292 N THR 84 59.438 60.015 51.857 1.00 2.37 +ATOM 1294 CA THR 84 60.601 60.733 51.347 1.00 2.37 +ATOM 1296 CB THR 84 61.795 60.730 52.320 1.00 2.37 +ATOM 1298 CG2 THR 84 62.894 61.706 51.905 1.00 2.37 +ATOM 1302 OG1 THR 84 61.435 61.142 53.620 1.00 2.37 +ATOM 1304 C THR 84 61.026 60.136 50.011 1.00 2.37 +ATOM 1305 O THR 84 61.188 58.904 49.924 1.00 2.37 +ATOM 1306 N PRO 85 61.278 60.987 48.997 1.00 2.00 +ATOM 1307 CD PRO 85 61.011 62.422 48.959 1.00 2.00 +ATOM 1310 CG PRO 85 61.248 62.866 47.516 1.00 2.00 +ATOM 1313 CB PRO 85 62.227 61.821 46.985 1.00 2.00 +ATOM 1316 CA PRO 85 61.781 60.551 47.712 1.00 2.00 +ATOM 1318 C PRO 85 62.876 59.489 47.787 1.00 2.00 +ATOM 1319 O PRO 85 62.713 58.451 47.174 1.00 2.00 +ATOM 1320 N ALA 86 63.898 59.667 48.632 1.00 2.23 +ATOM 1322 CA ALA 86 64.935 58.654 48.855 1.00 2.23 +ATOM 1324 CB ALA 86 65.913 59.198 49.904 1.00 2.23 +ATOM 1328 C ALA 86 64.406 57.263 49.254 1.00 2.23 +ATOM 1329 O ALA 86 64.833 56.230 48.735 1.00 2.23 +ATOM 1330 N HIS 87 63.454 57.207 50.189 1.00 2.30 +ATOM 1332 CA HIS 87 62.868 55.932 50.615 1.00 2.30 +ATOM 1334 CB HIS 87 61.937 56.117 51.818 1.00 2.30 +ATOM 1337 CG HIS 87 62.597 56.825 52.964 1.00 2.30 +ATOM 1338 ND1 HIS 87 61.980 57.785 53.751 1.00 2.30 +ATOM 1339 CE1 HIS 87 62.945 58.295 54.532 1.00 2.30 +ATOM 1341 NE2 HIS 87 64.114 57.672 54.302 1.00 2.30 +ATOM 1343 CD2 HIS 87 63.912 56.739 53.315 1.00 2.30 +ATOM 1345 C HIS 87 62.136 55.268 49.472 1.00 2.30 +ATOM 1346 O HIS 87 62.385 54.081 49.220 1.00 2.30 +ATOM 1347 N TYR 88 61.271 56.020 48.776 1.00 1.82 +ATOM 1349 CA TYR 88 60.553 55.373 47.683 1.00 1.82 +ATOM 1351 CB TYR 88 59.160 55.945 47.356 1.00 1.82 +ATOM 1354 CG TYR 88 57.996 55.188 48.011 1.00 1.82 +ATOM 1355 CD1 TYR 88 58.010 53.780 48.141 1.00 1.82 +ATOM 1357 CE1 TYR 88 56.988 53.100 48.829 1.00 1.82 +ATOM 1359 CZ TYR 88 55.869 53.811 49.303 1.00 1.82 +ATOM 1360 OH TYR 88 54.881 53.177 49.994 1.00 1.82 +ATOM 1362 CE2 TYR 88 55.804 55.202 49.086 1.00 1.82 +ATOM 1364 CD2 TYR 88 56.863 55.890 48.459 1.00 1.82 +ATOM 1366 C TYR 88 61.408 55.002 46.470 1.00 1.82 +ATOM 1367 O TYR 88 61.171 53.925 45.932 1.00 1.82 +ATOM 1368 N ASP 89 62.462 55.755 46.143 1.00 2.01 +ATOM 1370 CA ASP 89 63.484 55.350 45.169 1.00 2.01 +ATOM 1372 CB ASP 89 64.523 56.474 44.911 1.00 2.01 +ATOM 1375 CG ASP 89 65.967 56.178 45.360 1.00 2.01 +ATOM 1376 OD1 ASP 89 66.563 55.212 44.831 1.00 2.01 +ATOM 1377 OD2 ASP 89 66.472 56.912 46.237 1.00 2.01 +ATOM 1378 C ASP 89 64.138 54.025 45.568 1.00 2.01 +ATOM 1379 O ASP 89 64.278 53.125 44.741 1.00 2.01 +ATOM 1380 N ARG 90 64.508 53.857 46.842 1.00 2.52 +ATOM 1382 CA ARG 90 65.133 52.603 47.286 1.00 2.52 +ATOM 1384 CB ARG 90 65.604 52.764 48.734 1.00 2.52 +ATOM 1387 CG ARG 90 66.801 53.728 48.834 1.00 2.52 +ATOM 1390 CD ARG 90 66.899 54.361 50.229 1.00 2.52 +ATOM 1393 NE ARG 90 66.877 53.353 51.306 1.00 2.52 +ATOM 1395 CZ ARG 90 67.906 52.666 51.756 1.00 2.52 +ATOM 1396 NH1 ARG 90 69.109 52.865 51.302 1.00 2.52 +ATOM 1399 NH2 ARG 90 67.741 51.765 52.680 1.00 2.52 +ATOM 1402 C ARG 90 64.206 51.401 47.101 1.00 2.52 +ATOM 1403 O ARG 90 64.621 50.370 46.537 1.00 2.52 +ATOM 1404 N TYR 91 62.954 51.536 47.553 1.00 2.43 +ATOM 1406 CA TYR 91 61.999 50.436 47.395 1.00 2.43 +ATOM 1408 CB TYR 91 60.731 50.680 48.224 1.00 2.43 +ATOM 1411 CG TYR 91 60.993 50.627 49.724 1.00 2.43 +ATOM 1412 CD1 TYR 91 61.408 49.419 50.325 1.00 2.43 +ATOM 1414 CE1 TYR 91 61.767 49.393 51.688 1.00 2.43 +ATOM 1416 CZ TYR 91 61.704 50.574 52.457 1.00 2.43 +ATOM 1417 OH TYR 91 62.130 50.570 53.749 1.00 2.43 +ATOM 1419 CE2 TYR 91 61.243 51.772 51.872 1.00 2.43 +ATOM 1421 CD2 TYR 91 60.878 51.790 50.512 1.00 2.43 +ATOM 1423 C TYR 91 61.741 50.102 45.911 1.00 2.43 +ATOM 1424 O TYR 91 61.864 48.932 45.531 1.00 2.43 +ATOM 1425 N VAL 92 61.498 51.097 45.051 1.00 2.17 +ATOM 1427 CA VAL 92 61.221 50.848 43.625 1.00 2.17 +ATOM 1429 CB VAL 92 60.589 52.045 42.885 1.00 2.17 +ATOM 1431 CG1 VAL 92 59.280 52.433 43.564 1.00 2.17 +ATOM 1435 CG2 VAL 92 61.510 53.248 42.718 1.00 2.17 +ATOM 1439 C VAL 92 62.415 50.364 42.836 1.00 2.17 +ATOM 1440 O VAL 92 62.212 49.578 41.928 1.00 2.17 +ATOM 1441 N ASN 93 63.652 50.699 43.207 1.00 2.96 +ATOM 1443 CA ASN 93 64.826 49.994 42.697 1.00 2.96 +ATOM 1445 CB ASN 93 66.106 50.652 43.247 1.00 2.96 +ATOM 1448 CG ASN 93 66.586 51.812 42.387 1.00 2.96 +ATOM 1449 OD1 ASN 93 67.127 51.604 41.313 1.00 2.96 +ATOM 1450 ND2 ASN 93 66.459 53.037 42.835 1.00 2.96 +ATOM 1453 C ASN 93 64.723 48.509 43.039 1.00 2.96 +ATOM 1454 O ASN 93 64.756 47.676 42.124 1.00 2.96 +ATOM 1455 N LYS 94 64.518 48.142 44.324 1.00 3.30 +ATOM 1457 CA LYS 94 64.468 46.700 44.654 1.00 3.30 +ATOM 1459 CB LYS 94 64.354 46.452 46.164 1.00 3.30 +ATOM 1462 CG LYS 94 64.637 44.978 46.530 1.00 3.30 +ATOM 1465 CD LYS 94 66.092 44.512 46.283 1.00 3.30 +ATOM 1468 CE LYS 94 66.237 43.334 45.298 1.00 3.30 +ATOM 1471 NZ LYS 94 66.167 43.756 43.876 1.00 3.30 +ATOM 1475 C LYS 94 63.401 45.951 43.847 1.00 3.30 +ATOM 1476 O LYS 94 63.698 44.877 43.308 1.00 3.30 +ATOM 1477 N ASP 95 62.220 46.542 43.737 1.00 3.07 +ATOM 1479 CA ASP 95 61.099 45.979 42.998 1.00 3.07 +ATOM 1481 CB ASP 95 59.830 46.791 43.326 1.00 3.07 +ATOM 1484 CG ASP 95 58.591 45.901 43.338 1.00 3.07 +ATOM 1485 OD1 ASP 95 58.693 44.741 43.800 1.00 3.07 +ATOM 1486 OD2 ASP 95 57.521 46.310 42.838 1.00 3.07 +ATOM 1487 C ASP 95 61.364 45.838 41.487 1.00 3.07 +ATOM 1488 O ASP 95 61.128 44.768 40.899 1.00 3.07 +ATOM 1489 N MET 96 61.970 46.886 40.907 1.00 3.65 +ATOM 1491 CA MET 96 62.268 46.990 39.479 1.00 3.65 +ATOM 1493 CB MET 96 62.844 48.380 39.157 1.00 3.65 +ATOM 1496 CG MET 96 63.385 48.514 37.727 1.00 3.65 +ATOM 1499 SD MET 96 65.124 48.022 37.503 1.00 3.65 +ATOM 1500 CE MET 96 65.967 49.385 38.360 1.00 3.65 +ATOM 1504 C MET 96 63.195 45.836 39.108 1.00 3.65 +ATOM 1505 O MET 96 62.896 44.952 38.305 1.00 3.65 +ATOM 1506 N SER 97 64.271 45.769 39.886 1.00 4.72 +ATOM 1508 CA SER 97 65.273 44.720 39.888 1.00 4.72 +ATOM 1510 CB SER 97 66.589 45.304 40.412 1.00 4.72 +ATOM 1513 OG SER 97 67.000 46.419 39.653 1.00 4.72 +ATOM 1515 C SER 97 64.877 43.476 40.704 1.00 4.72 +ATOM 1516 O SER 97 65.750 42.840 41.308 1.00 4.72 +ATOM 1517 N ILE 98 63.589 43.110 40.744 1.00 4.69 +ATOM 1519 CA ILE 98 63.210 41.678 40.741 1.00 4.69 +ATOM 1521 CB ILE 98 62.720 41.174 42.130 1.00 4.69 +ATOM 1523 CG2 ILE 98 63.883 41.085 43.132 1.00 4.69 +ATOM 1527 CG1 ILE 98 61.550 41.994 42.726 1.00 4.69 +ATOM 1530 CD1 ILE 98 60.968 41.431 44.028 1.00 4.69 +ATOM 1534 C ILE 98 62.186 41.266 39.682 1.00 4.69 +ATOM 1535 O ILE 98 62.414 40.236 39.053 1.00 4.69 +ATOM 1536 N GLN 99 61.080 41.997 39.484 1.00 4.38 +ATOM 1538 CA GLN 99 60.033 41.590 38.510 1.00 4.38 +ATOM 1540 CB GLN 99 59.009 40.606 39.113 1.00 4.38 +ATOM 1543 CG GLN 99 59.603 39.241 39.496 1.00 4.38 +ATOM 1546 CD GLN 99 58.550 38.180 39.791 1.00 4.38 +ATOM 1547 OE1 GLN 99 57.398 38.454 40.085 1.00 4.38 +ATOM 1548 NE2 GLN 99 58.899 36.912 39.731 1.00 4.38 +ATOM 1551 C GLN 99 59.383 42.795 37.836 1.00 4.38 +ATOM 1552 O GLN 99 58.243 42.713 37.382 1.00 4.38 +ATOM 1553 N GLU 100 60.108 43.915 37.810 1.00 3.77 +ATOM 1555 CA GLU 100 59.551 45.251 37.643 1.00 3.77 +ATOM 1557 CB GLU 100 59.155 45.441 36.153 1.00 3.77 +ATOM 1560 CG GLU 100 58.847 46.868 35.661 1.00 3.77 +ATOM 1563 CD GLU 100 59.919 47.889 36.061 1.00 3.77 +ATOM 1564 OE1 GLU 100 59.980 48.175 37.275 1.00 3.77 +ATOM 1565 OE2 GLU 100 60.650 48.378 35.175 1.00 3.77 +ATOM 1566 C GLU 100 58.434 45.579 38.663 1.00 3.77 +ATOM 1567 O GLU 100 58.062 44.749 39.504 1.00 3.77 +ATOM 1568 N LEU 101 57.916 46.805 38.647 1.00 3.46 +ATOM 1570 CA LEU 101 56.971 47.292 39.644 1.00 3.46 +ATOM 1572 CB LEU 101 56.621 48.777 39.395 1.00 3.46 +ATOM 1575 CG LEU 101 57.800 49.770 39.305 1.00 3.46 +ATOM 1577 CD1 LEU 101 57.275 51.208 39.331 1.00 3.46 +ATOM 1581 CD2 LEU 101 58.818 49.622 40.438 1.00 3.46 +ATOM 1585 C LEU 101 55.695 46.470 39.812 1.00 3.46 +ATOM 1586 O LEU 101 54.977 46.183 38.856 1.00 3.46 +ATOM 1587 N ALA 102 55.366 46.170 41.069 1.00 3.02 +ATOM 1589 CA ALA 102 54.070 45.644 41.458 1.00 3.02 +ATOM 1591 CB ALA 102 54.103 45.249 42.942 1.00 3.02 +ATOM 1595 C ALA 102 52.960 46.666 41.156 1.00 3.02 +ATOM 1596 O ALA 102 52.773 47.656 41.872 1.00 3.02 +ATOM 1597 N VAL 103 52.179 46.402 40.108 1.00 3.05 +ATOM 1599 CA VAL 103 50.846 46.973 39.928 1.00 3.05 +ATOM 1601 CB VAL 103 50.314 46.777 38.486 1.00 3.05 +ATOM 1603 CG1 VAL 103 50.412 45.350 37.927 1.00 3.05 +ATOM 1607 CG2 VAL 103 48.880 47.298 38.327 1.00 3.05 +ATOM 1611 C VAL 103 49.944 46.452 41.036 1.00 3.05 +ATOM 1612 O VAL 103 49.272 45.444 40.849 1.00 3.05 +ATOM 1613 N LEU 104 49.995 47.068 42.232 1.00 3.95 +ATOM 1615 CA LEU 104 49.457 46.414 43.433 1.00 3.95 +ATOM 1617 CB LEU 104 49.735 47.171 44.716 1.00 3.95 +ATOM 1620 CG LEU 104 49.571 46.352 46.020 1.00 3.95 +ATOM 1622 CD1 LEU 104 48.138 46.024 46.454 1.00 3.95 +ATOM 1626 CD2 LEU 104 50.358 45.044 46.020 1.00 3.95 +ATOM 1630 C LEU 104 48.005 45.952 43.257 1.00 3.95 +ATOM 1631 O LEU 104 47.662 44.850 43.669 1.00 3.95 +ATOM 1632 N VAL 105 47.195 46.703 42.512 1.00 4.18 +ATOM 1634 CA VAL 105 45.829 46.294 42.165 1.00 4.18 +ATOM 1636 CB VAL 105 45.053 47.417 41.440 1.00 4.18 +ATOM 1638 CG1 VAL 105 44.936 48.672 42.315 1.00 4.18 +ATOM 1642 CG2 VAL 105 45.677 47.816 40.097 1.00 4.18 +ATOM 1646 C VAL 105 45.636 44.988 41.386 1.00 4.18 +ATOM 1647 O VAL 105 44.557 44.410 41.470 1.00 4.18 +ATOM 1648 N SER 106 46.650 44.501 40.670 1.00 4.14 +ATOM 1650 CA SER 106 46.648 43.188 40.001 1.00 4.14 +ATOM 1652 CB SER 106 46.964 43.367 38.509 1.00 4.14 +ATOM 1655 OG SER 106 46.350 42.359 37.733 1.00 4.14 +ATOM 1657 C SER 106 47.614 42.205 40.674 1.00 4.14 +ATOM 1658 O SER 106 47.756 41.066 40.239 1.00 4.14 +ATOM 1659 N GLY 107 48.334 42.654 41.713 1.00 4.41 +ATOM 1661 CA GLY 107 49.410 41.958 42.433 1.00 4.41 +ATOM 1664 C GLY 107 50.675 41.634 41.627 1.00 4.41 +ATOM 1665 O GLY 107 51.761 41.517 42.191 1.00 4.41 +ATOM 1666 N GLN 108 50.514 41.493 40.317 1.00 4.15 +ATOM 1668 CA GLN 108 51.531 41.252 39.307 1.00 4.15 +ATOM 1670 CB GLN 108 50.800 41.028 37.966 1.00 4.15 +ATOM 1673 CG GLN 108 49.943 39.746 37.910 1.00 4.15 +ATOM 1676 CD GLN 108 48.907 39.799 36.788 1.00 4.15 +ATOM 1677 OE1 GLN 108 48.229 40.793 36.585 1.00 4.15 +ATOM 1678 NE2 GLN 108 48.726 38.752 36.011 1.00 4.15 +ATOM 1681 C GLN 108 52.524 42.391 39.157 1.00 4.15 +ATOM 1682 O GLN 108 52.363 43.468 39.718 1.00 4.15 +ATOM 1683 N LYS 109 53.578 42.121 38.389 1.00 3.94 +ATOM 1685 CA LYS 109 54.850 42.840 38.429 1.00 3.94 +ATOM 1687 CB LYS 109 55.792 42.070 39.379 1.00 3.94 +ATOM 1690 CG LYS 109 55.194 41.864 40.788 1.00 3.94 +ATOM 1693 CD LYS 109 56.152 41.347 41.870 1.00 3.94 +ATOM 1696 CE LYS 109 57.364 42.222 42.220 1.00 3.94 +ATOM 1699 NZ LYS 109 57.210 43.642 41.844 1.00 3.94 +ATOM 1703 C LYS 109 55.459 42.955 37.021 1.00 3.94 +ATOM 1704 O LYS 109 54.944 42.502 35.998 1.00 3.94 +TER +END diff --git a/Mobi/Tests/data/easyProt1.pdb b/Mobi/Tests/data/easyProt1.pdb new file mode 100644 index 0000000..08d554d --- /dev/null +++ b/Mobi/Tests/data/easyProt1.pdb @@ -0,0 +1,171 @@ +************************* +************************* +HEADER EASY PROTEIN (TEST PDB) JUL-15 +NUMMDL 3 +AUTHOR LUCA DEMO – UNIVERSITY OF PADOVA - IT +SEQRES 1 A 5 GLY SER GLY ASN SER +MODEL 1 +ATOM 1 N GLY A 1 0.469 -0.694 -0.363 1.00 1.00 N +ATOM 2 CA GLY A 1 1.000 -0.000 1.000 1.00 1.00 C +ATOM 3 C GLY A 1 0.476 -1.203 -2.769 1.00 1.00 C +ATOM 4 O GLY A 1 -0.702 -0.891 -2.934 1.00 1.00 O +ATOM 5 H1 GLY A 1 -0.124 -1.516 -0.374 1.00 1.00 H +ATOM 6 H2 GLY A 1 1.083 -0.731 0.442 1.00 1.00 H +ATOM 7 H3 GLY A 1 -0.108 0.139 -0.310 1.00 1.00 H +ATOM 8 HA2 GLY A 1 1.572 0.371 -1.783 1.00 1.00 H +ATOM 9 HA3 GLY A 1 2.175 -1.238 -1.439 1.00 1.00 H +ATOM 10 N SER A 2 1.158 -2.012 -3.568 1.00 1.00 N +ATOM 11 CA SER A 2 0.535 -2.607 -4.737 1.00 1.00 C +ATOM 12 C SER A 2 -0.508 -3.640 -4.306 1.00 1.00 C +ATOM 13 O SER A 2 -0.162 -4.769 -3.962 1.00 1.00 O +ATOM 14 CB SER A 2 1.580 -3.255 -5.648 1.00 1.00 C +ATOM 15 OG SER A 2 2.228 -4.357 -5.017 1.00 1.00 O +ATOM 16 H SER A 2 2.116 -2.260 -3.426 1.00 1.00 H +ATOM 17 HA SER A 2 0.060 -1.779 -5.264 1.00 1.00 H +ATOM 18 HB2 SER A 2 1.102 -3.593 -6.567 1.00 1.00 H +ATOM 19 HB3 SER A 2 2.325 -2.511 -5.931 1.00 1.00 H +ATOM 20 HG SER A 2 2.509 -5.026 -5.703 1.00 1.00 H +ATOM 21 N GLY A 3 -1.763 -3.217 -4.341 1.00 1.00 N +ATOM 22 CA GLY A 3 -2.858 -4.091 -3.959 1.00 1.00 C +ATOM 23 C GLY A 3 -3.879 -3.347 -3.095 1.00 1.00 C +ATOM 24 O GLY A 3 -5.078 -3.401 -3.360 1.00 1.00 O +ATOM 25 H GLY A 3 -2.035 -2.297 -4.623 1.00 1.00 H +ATOM 26 HA2 GLY A 3 -3.347 -4.480 -4.853 1.00 1.00 H +ATOM 27 HA3 GLY A 3 -2.469 -4.949 -3.410 1.00 1.00 H +ATOM 28 N ASN A 4 -3.364 -2.670 -2.080 1.00 1.00 N +ATOM 29 CA ASN A 4 -4.215 -1.915 -1.175 1.00 1.00 C +ATOM 30 C ASN A 4 -4.006 -0.419 -1.415 1.00 1.00 C +ATOM 31 O ASN A 4 -4.969 0.343 -1.477 1.00 1.00 O +ATOM 32 CB ASN A 4 -3.869 -2.214 0.284 1.00 1.00 C +ATOM 33 CG ASN A 4 -4.627 -1.280 1.230 1.00 1.00 C +ATOM 34 OD1 ASN A 4 -4.163 -0.209 1.590 1.00 1.00 O +ATOM 35 ND2 ASN A 4 -5.813 -1.741 1.611 1.00 1.00 N +ATOM 36 H ASN A 4 -2.387 -2.632 -1.870 1.00 1.00 H +ATOM 37 HA ASN A 4 -5.232 -2.237 -1.404 1.00 1.00 H +ATOM 38 HB2 ASN A 4 -4.116 -3.250 0.517 1.00 1.00 H +ATOM 39 HB3 ASN A 4 -2.796 -2.100 0.439 1.00 1.00 H +ATOM 40 HD21 ASN A 4 -6.135 -2.628 1.279 1.00 1.00 H +ATOM 41 HD22 ASN A 4 -6.386 -1.202 2.229 1.00 1.00 H +ATOM 42 N SER A 5 -2.742 -0.044 -1.541 1.00 1.00 N +ATOM 43 CA SER A 5 -2.394 1.349 -1.771 1.00 1.00 C +ATOM 44 C SER A 5 -3.005 2.228 -0.679 1.00 1.00 C +ATOM 45 O SER A 5 -3.798 1.755 0.134 1.00 1.00 O +ATOM 46 CB SER A 5 -2.865 1.812 -3.152 1.00 1.00 C +ATOM 47 OG SER A 5 -4.286 1.794 -3.265 1.00 1.00 O +ATOM 48 H SER A 5 -1.964 -0.670 -1.488 1.00 1.00 H +ATOM 49 HA SER A 5 -1.306 1.385 -1.729 1.00 1.00 H +ATOM 50 HB2 SER A 5 -2.500 2.822 -3.338 1.00 1.00 H +ATOM 51 HB3 SER A 5 -2.432 1.169 -3.918 1.00 1.00 H +ATOM 52 HG SER A 5 -4.702 1.826 -2.356 1.00 1.00 H +TER +ENDMDL +MODEL 2 +ATOM 1 N GLY A 1 0.469 -0.694 -0.363 1.00 1.00 N +ATOM 2 CA GLY A 1 1.000 -0.000 -1.000 1.00 1.00 C +ATOM 3 C GLY A 1 0.476 -1.203 -2.769 1.00 1.00 C +ATOM 4 O GLY A 1 -0.702 -0.891 -2.934 1.00 1.00 O +ATOM 5 H1 GLY A 1 -0.124 -1.516 -0.374 1.00 1.00 H +ATOM 6 H2 GLY A 1 1.083 -0.731 0.442 1.00 1.00 H +ATOM 7 H3 GLY A 1 -0.108 0.139 -0.310 1.00 1.00 H +ATOM 8 HA2 GLY A 1 1.572 0.371 -1.783 1.00 1.00 H +ATOM 9 HA3 GLY A 1 2.175 -1.238 -1.439 1.00 1.00 H +ATOM 10 N SER A 2 1.158 -2.012 -3.568 1.00 1.00 N +ATOM 11 CA SER A 2 0.535 -2.607 -4.737 1.00 1.00 C +ATOM 12 C SER A 2 -0.508 -3.640 -4.306 1.00 1.00 C +ATOM 13 O SER A 2 -0.162 -4.769 -3.962 1.00 1.00 O +ATOM 14 CB SER A 2 1.580 -3.255 -5.648 1.00 1.00 C +ATOM 15 OG SER A 2 2.228 -4.357 -5.017 1.00 1.00 O +ATOM 16 H SER A 2 2.116 -2.260 -3.426 1.00 1.00 H +ATOM 17 HA SER A 2 0.060 -1.779 -5.264 1.00 1.00 H +ATOM 18 HB2 SER A 2 1.102 -3.593 -6.567 1.00 1.00 H +ATOM 19 HB3 SER A 2 2.325 -2.511 -5.931 1.00 1.00 H +ATOM 20 HG SER A 2 2.509 -5.026 -5.703 1.00 1.00 H +ATOM 21 N GLY A 3 -1.763 -3.217 -4.341 1.00 1.00 N +ATOM 22 CA GLY A 3 -2.858 -4.091 -3.959 1.00 1.00 C +ATOM 23 C GLY A 3 -3.879 -3.347 -3.095 1.00 1.00 C +ATOM 24 O GLY A 3 -5.078 -3.401 -3.360 1.00 1.00 O +ATOM 25 H GLY A 3 -2.035 -2.297 -4.623 1.00 1.00 H +ATOM 26 HA2 GLY A 3 -3.347 -4.480 -4.853 1.00 1.00 H +ATOM 27 HA3 GLY A 3 -2.469 -4.949 -3.410 1.00 1.00 H +ATOM 28 N ASN A 4 -3.364 -2.670 -2.080 1.00 1.00 N +ATOM 29 CA ASN A 4 -4.215 -1.915 -1.175 1.00 1.00 C +ATOM 30 C ASN A 4 -4.006 -0.419 -1.415 1.00 1.00 C +ATOM 31 O ASN A 4 -4.969 0.343 -1.477 1.00 1.00 O +ATOM 32 CB ASN A 4 -3.869 -2.214 0.284 1.00 1.00 C +ATOM 33 CG ASN A 4 -4.627 -1.280 1.230 1.00 1.00 C +ATOM 34 OD1 ASN A 4 -4.163 -0.209 1.590 1.00 1.00 O +ATOM 35 ND2 ASN A 4 -5.813 -1.741 1.611 1.00 1.00 N +ATOM 36 H ASN A 4 -2.387 -2.632 -1.870 1.00 1.00 H +ATOM 37 HA ASN A 4 -5.232 -2.237 -1.404 1.00 1.00 H +ATOM 38 HB2 ASN A 4 -4.116 -3.250 0.517 1.00 1.00 H +ATOM 39 HB3 ASN A 4 -2.796 -2.100 0.439 1.00 1.00 H +ATOM 40 HD21 ASN A 4 -6.135 -2.628 1.279 1.00 1.00 H +ATOM 41 HD22 ASN A 4 -6.386 -1.202 2.229 1.00 1.00 H +ATOM 42 N SER A 5 -2.742 -0.044 -1.541 1.00 1.00 N +ATOM 43 CA SER A 5 -2.394 1.349 -1.771 1.00 1.00 C +ATOM 44 C SER A 5 -3.005 2.228 -0.679 1.00 1.00 C +ATOM 45 O SER A 5 -3.798 1.755 0.134 1.00 1.00 O +ATOM 46 CB SER A 5 -2.865 1.812 -3.152 1.00 1.00 C +ATOM 47 OG SER A 5 -4.286 1.794 -3.265 1.00 1.00 O +ATOM 48 H SER A 5 -1.964 -0.670 -1.488 1.00 1.00 H +ATOM 49 HA SER A 5 -1.306 1.385 -1.729 1.00 1.00 H +ATOM 50 HB2 SER A 5 -2.500 2.822 -3.338 1.00 1.00 H +ATOM 51 HB3 SER A 5 -2.432 1.169 -3.918 1.00 1.00 H +ATOM 52 HG SER A 5 -4.702 1.826 -2.356 1.00 1.00 H +TER +ENDMDL +MODEL 3 +ATOM 1 N GLY A 1 0.469 -0.694 -0.363 1.00 1.00 N +ATOM 2 CA GLY A 1 1.265 -0.654 -1.578 1.00 1.00 C +ATOM 3 C GLY A 1 0.476 -1.203 -2.769 1.00 1.00 C +ATOM 4 O GLY A 1 -0.702 -0.891 -2.934 1.00 1.00 O +ATOM 5 H1 GLY A 1 -0.124 -1.516 -0.374 1.00 1.00 H +ATOM 6 H2 GLY A 1 1.083 -0.731 0.442 1.00 1.00 H +ATOM 7 H3 GLY A 1 -0.108 0.139 -0.310 1.00 1.00 H +ATOM 8 HA2 GLY A 1 1.572 0.371 -1.783 1.00 1.00 H +ATOM 9 HA3 GLY A 1 2.175 -1.238 -1.439 1.00 1.00 H +ATOM 10 N SER A 2 1.158 -2.012 -3.568 1.00 1.00 N +ATOM 11 CA SER A 2 0.535 -2.607 -4.737 1.00 1.00 C +ATOM 12 C SER A 2 -0.508 -3.640 -4.306 1.00 1.00 C +ATOM 13 O SER A 2 -0.162 -4.769 -3.962 1.00 1.00 O +ATOM 14 CB SER A 2 1.580 -3.255 -5.648 1.00 1.00 C +ATOM 15 OG SER A 2 2.228 -4.357 -5.017 1.00 1.00 O +ATOM 16 H SER A 2 2.116 -2.260 -3.426 1.00 1.00 H +ATOM 17 HA SER A 2 0.060 -1.779 -5.264 1.00 1.00 H +ATOM 18 HB2 SER A 2 1.102 -3.593 -6.567 1.00 1.00 H +ATOM 19 HB3 SER A 2 2.325 -2.511 -5.931 1.00 1.00 H +ATOM 20 HG SER A 2 2.509 -5.026 -5.703 1.00 1.00 H +ATOM 21 N GLY A 3 -1.763 -3.217 -4.341 1.00 1.00 N +ATOM 22 CA GLY A 3 -2.858 -4.091 -3.959 1.00 1.00 C +ATOM 23 C GLY A 3 -3.879 -3.347 -3.095 1.00 1.00 C +ATOM 24 O GLY A 3 -5.078 -3.401 -3.360 1.00 1.00 O +ATOM 25 H GLY A 3 -2.035 -2.297 -4.623 1.00 1.00 H +ATOM 26 HA2 GLY A 3 -3.347 -4.480 -4.853 1.00 1.00 H +ATOM 27 HA3 GLY A 3 -2.469 -4.949 -3.410 1.00 1.00 H +ATOM 28 N ASN A 4 -3.364 -2.670 -2.080 1.00 1.00 N +ATOM 29 CA ASN A 4 -4.215 -1.915 -1.175 1.00 1.00 C +ATOM 30 C ASN A 4 -4.006 -0.419 -1.415 1.00 1.00 C +ATOM 31 O ASN A 4 -4.969 0.343 -1.477 1.00 1.00 O +ATOM 32 CB ASN A 4 -3.869 -2.214 0.284 1.00 1.00 C +ATOM 33 CG ASN A 4 -4.627 -1.280 1.230 1.00 1.00 C +ATOM 34 OD1 ASN A 4 -4.163 -0.209 1.590 1.00 1.00 O +ATOM 35 ND2 ASN A 4 -5.813 -1.741 1.611 1.00 1.00 N +ATOM 36 H ASN A 4 -2.387 -2.632 -1.870 1.00 1.00 H +ATOM 37 HA ASN A 4 -5.232 -2.237 -1.404 1.00 1.00 H +ATOM 38 HB2 ASN A 4 -4.116 -3.250 0.517 1.00 1.00 H +ATOM 39 HB3 ASN A 4 -2.796 -2.100 0.439 1.00 1.00 H +ATOM 40 HD21 ASN A 4 -6.135 -2.628 1.279 1.00 1.00 H +ATOM 41 HD22 ASN A 4 -6.386 -1.202 2.229 1.00 1.00 H +ATOM 42 N SER A 5 -2.742 -0.044 -1.541 1.00 1.00 N +ATOM 43 CA SER A 5 -2.394 1.349 -1.771 1.00 1.00 C +ATOM 44 C SER A 5 -3.005 2.228 -0.679 1.00 1.00 C +ATOM 45 O SER A 5 -3.798 1.755 0.134 1.00 1.00 O +ATOM 46 CB SER A 5 -2.865 1.812 -3.152 1.00 1.00 C +ATOM 47 OG SER A 5 -4.286 1.794 -3.265 1.00 1.00 O +ATOM 48 H SER A 5 -1.964 -0.670 -1.488 1.00 1.00 H +ATOM 49 HA SER A 5 -1.306 1.385 -1.729 1.00 1.00 H +ATOM 50 HB2 SER A 5 -2.500 2.822 -3.338 1.00 1.00 H +ATOM 51 HB3 SER A 5 -2.432 1.169 -3.918 1.00 1.00 H +ATOM 52 HG SER A 5 -4.702 1.826 -2.356 1.00 1.00 H +TER +ENDMDL From 6e43a3be7a96f95f5b47c799b03efbb68f096a99 Mon Sep 17 00:00:00 2001 From: LucaDemo Date: Mon, 27 Jul 2015 17:46:55 +0200 Subject: [PATCH 18/25] Some adds to the work --- Mobi/APPS/Mobi.cc | 49 ++++++++++++++----------------- Mobi/Sources/MobiMethods.h | 2 +- Mobi/Sources/MobiProtein.cc | 22 ++------------ Mobi/Sources/MobiProtein.h | 25 ++++++++++++++-- Mobi/Sources/TMScoreBin.cc | 21 +++++++++++-- Mobi/Sources/TMScoreBin.h | 11 +++++-- Mobi/Sources/VectorCollection.h | 20 +++++++++++-- Mobi/Tests/TestMobi.cc | 6 ++-- Mobi/Tests/TestVectorCollection.h | 23 +++++++++++---- 9 files changed, 112 insertions(+), 67 deletions(-) diff --git a/Mobi/APPS/Mobi.cc b/Mobi/APPS/Mobi.cc index b8b51a9..15d3a1c 100644 --- a/Mobi/APPS/Mobi.cc +++ b/Mobi/APPS/Mobi.cc @@ -40,17 +40,18 @@ void sShowHelp() { cout << "Victor - Mobi NMR Mobility: 1.0\n" << "Mobility defined accordingly with http://protein.bio.unipd.it/mobi/" << "Options: \n" - << "\t-i \t Input PDB file\n" + << "\t-i \t Input PDB file (mandatory)\n" << "\t-o \t Output mobility tracks to FASTA file (default stdout)\n" << "\t-p \t Output ordered models in PDB file (default is no output)\n" - << "\t-c \t Chain identifier to read (default if first)\n" - << "\t-m \t NMR models numbers to read, comma separated list (default is all) \n" + << "\t-s \t Output residue mobility \"score\" (default is no output)\n" + << "\t-c \t Chain identifier to read (default if first chain)\n" + << "\t-m \t NMR models numbers to read, comma separated list (default is all models)\n" << "\t-t \t TMscore binary path (default is ./TMscore)\n" - << "\t--d0 \t d0 scaling factor for scaled distance. Default = 4" - << "\t--sd \t threshold for Avg Scaled Distance track. Default = 0.85" - << "\t--sdd \t threshold for Scaled Distance Deviation track. Default = 0.09" - << "\t--phi \t threshold for phi angles track. Default = 20" - << "\t--psi \t threshold for psi angles track. Default = 20" + << "\t--d0 \t d0 scaling factor for scaled distance. Default = 4\n" + << "\t--sd \t threshold for Avg Scaled Distance track. Default = 0.85\n" + << "\t--sdd \t threshold for Scaled Distance Deviation track. Default = 0.09\n" + << "\t--phi \t threshold for phi angles track. Default = 20\n" + << "\t--psi \t threshold for psi angles track. Default = 20\n" << "\t-v \t verbose output\n" << "\t-d \t even more verbose output (lot of details)\n" << "\t-h \t shows this message\n"; @@ -66,19 +67,20 @@ int main(int argc, char* argv[]) { return 1; } - string inputFile, outputFile, outputPdb, tmbin, chainID, modelList; + string inputFile, outputFile, outputPdb, outputScore, tmbin, chainID, modelList; string d0_s,sd_s,sdd_s,phi_s,psi_s; - bool saveFasta = true, savePdb = true, verbose, debug; + bool verbose, debug; vector models; getArg("i", inputFile, argc, argv, "!"); getArg("o", outputFile, argc, argv, "!"); getArg("p", outputPdb, argc, argv, "!"); + getArg("s", outputScore, argc, argv, "!"); getArg("t", tmbin, argc, argv, "!"); getArg("c", chainID, argc, argv, "!"); getArg("m", modelList, argc, argv, "!"); - getArg("d0", d0_s, argc, argv, "!"); + getArg("-d0", d0_s, argc, argv, "!"); getArg("-sd", sd_s, argc, argv, "!"); getArg("-sdd", sdd_s, argc, argv, "!"); getArg("-psi", psi_s, argc, argv, "!"); @@ -100,14 +102,6 @@ int main(int argc, char* argv[]) { }else{ if (verbose) cout << "Using PDB input file: " << inputFile << endl; - } - // Check output file - if (outputFile == "!") { - saveFasta = false; - } - // Check output pdb - if (outputPdb == "!") { - savePdb = false; } // check TM if (tmbin == "!") { @@ -137,13 +131,8 @@ int main(int argc, char* argv[]) { if (psi_s != "!") psi_th = stodDEF(psi_s); - - - cout << "pre loader" << endl; - //MOBI PdbLoader pl(inFile); - cout << "ok" << endl; // Set PdbLoader variables if (!debug) { pl.setNoVerbose(); @@ -199,7 +188,7 @@ int main(int argc, char* argv[]) { cout << endl; // TMscore: here we use the external binary - TMScoreBinder* tm = new TMScoreBin(tmbin,"."); + TMScoreBin* tm = new TMScoreBin(tmbin,"."); // Set MobiMethods Thresholds MobiMethods mm(d0, CA, sd_th, sdsd_th, psi_th, phi_th); if (verbose) @@ -215,7 +204,7 @@ int main(int argc, char* argv[]) { MobiUtils::printFastaFile(mm); cout << endl; } - if (saveFasta){ //save fasta + if (outputFile != "!"){ //save fasta ofstream fastaOut(outputFile.c_str()); MobiUtils::printFastaFile(mm,fastaOut); fastaOut.close(); @@ -223,7 +212,7 @@ int main(int argc, char* argv[]) { cout << "Tracks saved in FASTA file: " << outputFile << endl; } - if (savePdb){ //save Pdb + if (outputPdb != "!"){ //save Pdb ofstream pdbOut(outputPdb.c_str()); MobiUtils::saveMobiPdb(prot,MobiUtils::sortModels(mm.getDistances()),mm.getSDMeans(), mm.getSDDevs(),pdbOut); pdbOut.close(); @@ -231,7 +220,13 @@ int main(int argc, char* argv[]) { cout << "Models saved in Pdb file: " << outputPdb << endl; } + + cout << endl << endl; + vector rmsd = mm.getDistances().residueRMSD(); + for (unsigned int i = 0; i < rmsd.size(); i++) + cout << rmsd[i]/1.075 << endl; //Close + tm->cleanup(); delete prot; delete tm; diff --git a/Mobi/Sources/MobiMethods.h b/Mobi/Sources/MobiMethods.h index ee148d2..d33eeee 100644 --- a/Mobi/Sources/MobiMethods.h +++ b/Mobi/Sources/MobiMethods.h @@ -41,7 +41,7 @@ extern const double DEF_SDSD_TH; extern const int DEF_VERBOSE; /** - * This class provides methods to calculate mobility.\n + * This class provides methods to calculate Mobi mobility.\n * Can be instantiated to provide settings to the static methods and execute Mobi calculation.\n * Default constructor provides default mobi parameters. */ diff --git a/Mobi/Sources/MobiProtein.cc b/Mobi/Sources/MobiProtein.cc index 84cd76c..258053e 100644 --- a/Mobi/Sources/MobiProtein.cc +++ b/Mobi/Sources/MobiProtein.cc @@ -24,14 +24,7 @@ using namespace Victor; using namespace Victor::Mobi; using namespace Victor::Biopool; -/** - * Load Pdb data into Protein object. The specified models are loaded. - * There is no direct correlation between models id in pdb file and model - * index inside protein object. Index inside protein depends on the order - * in which the models are loaded. * - * @param pl (PdbLoader&) reference to the PdbLoader to load from - * @param models (vector) models to load (accordind to pdb file model names), - */ + vector MobiProtein::load(PdbLoader& pl, vector models){ if (verbose) cout << "Loading protein models..." < MobiProtein::load(PdbLoader& pl, vector model return models; } -/** - * Load Pdb data into Protein object. All models are loaded. - * There is no direct correlation between models id in pdb file and model - * index inside protein object. Index inside protein depends on the order - * in which the models are loaded. * - * @param pl (PdbLoader&) reference to the PdbLoader to load from - */ + vector MobiProtein::load(PdbLoader& pl){ vector models; //Load Models @@ -66,11 +53,6 @@ vector MobiProtein::load(PdbLoader& pl){ return load(pl,models); } -/** - * Get the Spacer object representing the model of this Protein - * @param model (unsigned int) the model to get - * @return (Spacer&) the model - */ Spacer* MobiProtein::getModel(unsigned int model){ return this->getSpacer(model); } diff --git a/Mobi/Sources/MobiProtein.h b/Mobi/Sources/MobiProtein.h index fd297c5..47d119f 100644 --- a/Mobi/Sources/MobiProtein.h +++ b/Mobi/Sources/MobiProtein.h @@ -29,15 +29,35 @@ using namespace Victor::Biopool; namespace Victor { namespace Mobi { /** * @brief Extends Protein class with functionalities related to manipulation of NMR model and models comparations. - * Scale Distance metric is provided. */ class MobiProtein : public Protein{ public: MobiProtein() : Protein(), verbose(false){modelsID = vector(0);}; + /** + * Load Pdb data into Protein object. The specified models are loaded. + * There is no direct relation between models id in pdb file and model + * index inside protein object. Index inside protein depends on the order + * in which the models are loaded. + * @param pl reference to the PdbLoader to load from + * @param models models to load (accordind to pdb file model names), vector + */ vector load(PdbLoader& pl, vector models); + + /** + * Load Pdb data into Protein object. All models are loaded. + * There is no direct relation between models id in pdb file and model + * index inside protein object. Index inside protein depends on the order + * in which the models are loaded. + * @param pl (PdbLoader&) reference to the PdbLoader to load from + */ vector load(PdbLoader& pl); + /** + * Get the specified model in this Protein. + * @param model (unsigned int) the model internal id (not original Pdb model name) to get + * @return (Spacer&) the model + */ Spacer* getModel(unsigned int _model); /** @@ -49,7 +69,8 @@ namespace Victor { namespace Mobi { } /** - * Returns all original (as PDB) loaded modell ids + * Returns all original (as PDB) loaded modell ids. + * @return vector containing original Pdb ids of loaded models. Vector index matches internal id. */ const vector& getModelsID(){ return modelsID;} diff --git a/Mobi/Sources/TMScoreBin.cc b/Mobi/Sources/TMScoreBin.cc index 206b73a..5a3b01e 100644 --- a/Mobi/Sources/TMScoreBin.cc +++ b/Mobi/Sources/TMScoreBin.cc @@ -37,6 +37,9 @@ using namespace Victor::Biopool; using namespace std; +const string TMTMP_IN1 = "tmin1.pdb.tmp"; +const string TMTMP_IN2 = "tmin2.pdb.tmp"; +const string TMTMP_OUT = "tmout.pdb.tmp"; /** * @brief the TMScore output is not pdb conformant. This static method read the output and fix it in a memory buffer. @@ -48,8 +51,7 @@ void spacerFromTMOutput(string pdbFile, MobiProtein** imposedModel); double TMScoreBin::TMScore(MobiProtein& prot1, unsigned int model1, MobiProtein& prot2, unsigned int model2, MobiProtein** imposedModel){ - string TMTMP_IN1 = "tmin1.pdb.tmp"; //Decided to not use global const - string TMTMP_IN2 = "tmin2.pdb.tmp"; //Decided to not use global const + if (verbose) cout << "TMScore between models " << model1 << " and " << model2; @@ -74,7 +76,7 @@ double TMScoreBin::TMScore(MobiProtein& prot, unsigned int model1, unsigned int } double TMScoreBin::TMScore(string model1, string model2, MobiProtein** imposedModel){ - string TMTMP_OUT = "tmout.pdb.tmp"; //Decided to not use global const + double score = -1; if (access(model1.c_str(), R_OK) == 0 && access(model2.c_str(), R_OK) == 0){ if(access(binary.c_str(), X_OK) == 0){ @@ -158,3 +160,16 @@ void spacerFromTMOutput(string pdbFile, MobiProtein** imposedModel){ pl.loadProtein(**imposedModel); } +void TMScoreBin::cleanup(){ + if(remove(TMTMP_IN1.c_str()) != 0) + cout << "Error deleting file " << TMTMP_IN1 << endl; + if(remove(TMTMP_IN2.c_str()) != 0) + cout << "Error deleting file " << TMTMP_IN2 << endl; + if(remove(TMTMP_OUT.c_str()) != 0) + cout << "Error deleting file " << TMTMP_OUT << endl; + if(remove((TMTMP_OUT + "_atm").c_str()) != 0) + cout << "Error deleting file " << TMTMP_OUT + "_atm" << endl; + if (verbose) + cout << "TM temporary files deleted" << endl; +} + diff --git a/Mobi/Sources/TMScoreBin.h b/Mobi/Sources/TMScoreBin.h index bb628e4..6624377 100644 --- a/Mobi/Sources/TMScoreBin.h +++ b/Mobi/Sources/TMScoreBin.h @@ -31,9 +31,9 @@ using namespace Victor::Mobi; using namespace std; -//extern const std::string TMTMP_IN1; -//extern const std::string TMTMP_IN2; -//extern const std::string TMTMP_OUT; +extern const std::string TMTMP_IN1; +extern const std::string TMTMP_IN2; +extern const std::string TMTMP_OUT; @@ -101,6 +101,11 @@ namespace Victor { namespace Mobi { verbose = v; } + /** + * Cleans temporary files + */ + void cleanup(); + /** * Default deconstructor */ diff --git a/Mobi/Sources/VectorCollection.h b/Mobi/Sources/VectorCollection.h index 979fe4f..13aa04c 100644 --- a/Mobi/Sources/VectorCollection.h +++ b/Mobi/Sources/VectorCollection.h @@ -184,7 +184,7 @@ class VectorCollection{ * Calculates the means of values in same position in the vectors * @return (vector) means */ - vector mean(){ + vector mean(){ vector mean = vector(this->vectorsSize(),0.0); typename std::map >::const_iterator it; for (it = this->results->begin(); it != this->results->end(); ++it) @@ -215,7 +215,7 @@ class VectorCollection{ * Calculate rmsd for all distance records inside this VectorCollection and return their average * @return (double) mean rmsd */ - double rmsd(){ + V RMSD(){ V rmsd = 0; V singleRmsd; typename std::map >::const_iterator it; @@ -229,6 +229,22 @@ class VectorCollection{ return (rmsd / results->size()); } + + vector residueRMSD(){ + vector rmsd(vectorsSize(),0); + for (typename std::map >::const_iterator it = this->results->begin(); + it != this->results->end(); ++it) //foreach distance record + for (unsigned int i = 0; i < this->vectorsSize(); i++){ //foreach residue + rmsd[i] += (pow(it->second[i],2) / size()); //cumulate the 2pow of distance +// if (i == 0) +// cout << ">>>" << it->second[i] << endl; + } + for (unsigned int i = 0; i < rmsd.size(); i++) + rmsd[i] = sqrt(rmsd[i]); + + return rmsd; + } + /** * Short output... debug purpouses */ diff --git a/Mobi/Tests/TestMobi.cc b/Mobi/Tests/TestMobi.cc index 1ae44dd..c4482c3 100644 --- a/Mobi/Tests/TestMobi.cc +++ b/Mobi/Tests/TestMobi.cc @@ -36,9 +36,9 @@ int main() { cout << "Creating Test Suites:" << endl; runner.addTest(TestVectorCollection::suite()); - runner.addTest(TestMobiProtein::suite()); - runner.addTest(TestTM::suite()); - runner.addTest(TestMobiMethods::suite()); +// runner.addTest(TestMobiProtein::suite()); +// runner.addTest(TestTM::suite()); +// runner.addTest(TestMobiMethods::suite()); // runner.addTest(MadTests::suite()); cout<< "Running the unit tests." << endl; diff --git a/Mobi/Tests/TestVectorCollection.h b/Mobi/Tests/TestVectorCollection.h index 7042247..8ab7c45 100644 --- a/Mobi/Tests/TestVectorCollection.h +++ b/Mobi/Tests/TestVectorCollection.h @@ -43,14 +43,17 @@ class TestVectorCollection : public CppUnit::TestFixture { static CppUnit::Test *suite() { CppUnit::TestSuite *suiteOfTests = new CppUnit::TestSuite("TestVectorCollection"); - suiteOfTests->addTest(new CppUnit::TestCaller("Test1 - Populate the collection", - &TestVectorCollection::testPopulation)); - - suiteOfTests->addTest(new CppUnit::TestCaller("Test2 - Calculate means", - &TestVectorCollection::testMeanSD)); +// suiteOfTests->addTest(new CppUnit::TestCaller("Test1 - Populate the collection", +// &TestVectorCollection::testPopulation)); +// +// suiteOfTests->addTest(new CppUnit::TestCaller("Test2 - Calculate means", +// &TestVectorCollection::testMeanSD)); +// +// suiteOfTests->addTest(new CppUnit::TestCaller("Test3 - Calculate standard deviation", +// &TestVectorCollection::testSD)); suiteOfTests->addTest(new CppUnit::TestCaller("Test3 - Calculate standard deviation", - &TestVectorCollection::testSD)); + &TestVectorCollection::testRMSD)); return suiteOfTests; } @@ -96,6 +99,14 @@ class TestVectorCollection : public CppUnit::TestFixture { CPPUNIT_ASSERT(sd[i] = sqrt(2)); } + void testRMSD(){ + VectorCollection sdr = VectorCollection(); + fillWith5Results10(sdr); + vector sd = sdr.residueRMSD(); + for (unsigned int i = 0; i < sd.size(); i++) + cout << sd[i] << endl; + } + private: void fillWith5Results10(VectorCollection& sdr){ From 59cf1fc984cf497db8cdfece18ce1a36ecf7d307 Mon Sep 17 00:00:00 2001 From: LucaDemo Date: Tue, 28 Jul 2015 00:17:49 +0200 Subject: [PATCH 19/25] - Score output added (some difference compared to Mobi "original" output) --- Mobi/APPS/Mobi.cc | 10 +- Mobi/Sources/MobiMethods.cc | 26 +-- Mobi/Sources/MobiMethods.h | 62 +++++-- Mobi/Sources/MobiUtils.h | 293 ++++++++++++++++++++++++++++++++ Mobi/Sources/TMScoreBinder.h | 75 ++++++++ Mobi/Sources/VectorCollection.h | 16 +- Mobi/Tests/TestMobi.cc | 4 +- Mobi/Tests/TestMobiMethods.h | 178 +++++++++++++++++++ 8 files changed, 619 insertions(+), 45 deletions(-) create mode 100644 Mobi/Sources/MobiUtils.h create mode 100644 Mobi/Sources/TMScoreBinder.h create mode 100644 Mobi/Tests/TestMobiMethods.h diff --git a/Mobi/APPS/Mobi.cc b/Mobi/APPS/Mobi.cc index 15d3a1c..4b02e6c 100644 --- a/Mobi/APPS/Mobi.cc +++ b/Mobi/APPS/Mobi.cc @@ -154,9 +154,11 @@ int main(int argc, char* argv[]) { pl.setChain(pl.getAllChains()[0]); if (verbose) cout << "Selected chain: " << pl.getAllChains()[0] << endl; + chainID = pl.getAllChains()[0]; }else if (verbose) - cout << "No chains found." << endl; + ERROR("No chains found. Quit...", exception); + } // User selected models @@ -221,10 +223,8 @@ int main(int argc, char* argv[]) { } - cout << endl << endl; - vector rmsd = mm.getDistances().residueRMSD(); - for (unsigned int i = 0; i < rmsd.size(); i++) - cout << rmsd[i]/1.075 << endl; + ofstream scoreOut("score.txt"); + MobiUtils::saveScore(mm,chainID[0],scoreOut); //Close tm->cleanup(); delete prot; diff --git a/Mobi/Sources/MobiMethods.cc b/Mobi/Sources/MobiMethods.cc index b060075..206c7d5 100644 --- a/Mobi/Sources/MobiMethods.cc +++ b/Mobi/Sources/MobiMethods.cc @@ -170,6 +170,7 @@ vector MobiMethods::secondaryMobi(MobiProtein* protein){ vector MobiMethods::mobiMobility(MobiProtein* protein, TMScoreBinder* tm){ + done = false; //Scaled Distances distances(protein,tm,scaledDist,dist,*this); @@ -188,28 +189,29 @@ vector MobiMethods::mobiMobility(MobiProtein* protein, TMScoreBinder* tm){ for (unsigned int i = 0; i < SDDevs.size(); i++) SDDevsMobility[i] = SDDevs[i] > sdsd_th ? 1 : 0; - VectorCollection angles; //Psi angles - psis(protein,angles); //values are cleared inside getPhis - psisAngles = angles.stdDev(); - PsiMobility = vector(psisAngles.size()); - for (unsigned int i = 0; i < psisAngles.size(); i++) - PsiMobility[i] = psisAngles[i] > psi_th ? 1 : 0; + psis(protein,psiAngles); //values are cleared inside getPhis + psiDev = psiAngles.stdDev(); + PsiMobility = vector(psiDev.size()); + for (unsigned int i = 0; i < psiDev.size(); i++) + PsiMobility[i] = psiDev[i] > psi_th ? 1 : 0; //Phi angles - phis(protein,angles); //values are cleared inside getPhis - phisAngles = angles.stdDev(); - PhiMobility = vector(phisAngles.size()); - for (unsigned int i = 0; i < phisAngles.size(); i++) - PhiMobility[i] = phisAngles[i] > phi_th ? 1 : 0; + phis(protein,phiAngles); //values are cleared inside getPhis + phiDev = phiAngles.stdDev(); + PhiMobility = vector(phiDev.size()); + for (unsigned int i = 0; i < phiDev.size(); i++) + PhiMobility[i] = phiDev[i] > phi_th ? 1 : 0; //Secondary mobility secMobility = secondaryMobi(protein); //Calculate Mobi Mobility - mobiMob = SDFilters(SDMeanMobility, SDDevsMobility, secMobility, PhiMobility, PsiMobility, *this); + mobiMob = SDFilters(); + done = true; return mobiMob; } + vector MobiMethods::SDFilters(vector const &sd, vector const &sdsd, vector const &dssp, vector const &phis, vector const &psis, MobiMethods &mm){ vector sdm = sd; diff --git a/Mobi/Sources/MobiMethods.h b/Mobi/Sources/MobiMethods.h index d33eeee..e138ff1 100644 --- a/Mobi/Sources/MobiMethods.h +++ b/Mobi/Sources/MobiMethods.h @@ -41,7 +41,7 @@ extern const double DEF_SDSD_TH; extern const int DEF_VERBOSE; /** - * This class provides methods to calculate Mobi mobility.\n + * This class provides methods to calculate mobility.\n * Can be instantiated to provide settings to the static methods and execute Mobi calculation.\n * Default constructor provides default mobi parameters. */ @@ -59,7 +59,7 @@ class MobiMethods{ */ MobiMethods(double _d0 = DEF_D0, AtomCode _atom = DEF_ATOM, double _sd_th = DEF_SD_TH, double _sdsd_th = DEF_SDSD_TH, double _psi_th = DEF_PSI_TH, double _phi_th = DEF_PHI_TH) : - d0(_d0), atom(_atom), sd_th(_sd_th), sdsd_th(_sdsd_th), psi_th(_psi_th), phi_th(_phi_th), verbose(DEF_VERBOSE){} + d0(_d0), atom(_atom), sd_th(_sd_th), sdsd_th(_sdsd_th), psi_th(_psi_th), phi_th(_phi_th), verbose(DEF_VERBOSE), done(false){} /** * Set verbosity level @@ -135,16 +135,6 @@ class MobiMethods{ static vector SDFilters(vector const &sdm, vector const &sdsd, vector const &sec, vector const &phis, vector const &psis, MobiMethods &settings); - /** - * Applies Mobi filters to Scaled Distance mobility track to obtain final mobility values - * @param settings MobiMethods object with setted parameters - * @return vector of filtered mobility ("all" mobility) - */ - static vector SDFilters(MobiMethods &settings){ - return SDFilters(settings.getSDMeanMobility(), settings.getSDDevsMobility(), settings.getSecMobility(), settings.getPhiMobility(), - settings.getPsiMobility(), settings); - } - /** * Get D0 value */ @@ -198,7 +188,7 @@ class MobiMethods{ /** * get psi angles deviations */ - const vector getPsisAngles(){return psisAngles;} + const vector getPsiDevs(){return psiDev;} /** * get psi angles mobility track @@ -208,7 +198,7 @@ class MobiMethods{ /** * get phi angles deviations */ - const vector getPhisAngles(){return phisAngles;} + const vector getPhiDevs(){return phiDev;} /** * get phi mobility track @@ -233,13 +223,31 @@ class MobiMethods{ /** * get distance collection */ - VectorCollection& getDistances(){return dist;} + const VectorCollection& getDistances(){return dist;} /** * get scaled distance collection */ - VectorCollection& getScaledDistances(){return scaledDist;} + const VectorCollection& getScaledDistances(){return scaledDist;} + + + /** + * get phi angles + */ + const VectorCollection& getPhiAngles(){return phiAngles;} + + /** + * get psi angles + */ + const VectorCollection& getPsiAngles(){return psiAngles;} + /** + * Return true if mobi calculation has been performed in this object. + * @return true if mobi mobility is calculated, false otherwise + */ + bool isDone(){ + return done; + } protected: @@ -263,6 +271,20 @@ class MobiMethods{ static vector scaledDistance(Spacer* mod1, Spacer* mod2, AtomCode atom = DEF_ATOM, double d0 = DEF_D0); private: + + /** + * Applies Mobi filters to Scaled Distance mobility track to obtain final mobility values. + * Private method as shortcut in mobiMobility method. + * @return vector of filtered mobility ("all" mobility) + */ + vector SDFilters(){ + return SDFilters(getSDMeanMobility(), getSDDevsMobility(), getSecMobility(), getPhiMobility(), + getPsiMobility(), *this); + } + + + + double d0; double sdsd_th; double sd_th; @@ -276,15 +298,19 @@ class MobiMethods{ vector SDMeanMobility; vector SDDevs; vector SDDevsMobility; - vector psisAngles; + vector psiDev; vector PsiMobility; - vector phisAngles; + vector phiDev; vector PhiMobility; vector secMobility; vector mobiMob; VectorCollection scaledDist; //Scaled distances VectorCollection dist; //"Simple" distances + VectorCollection phiAngles; + VectorCollection psiAngles; + + bool done; }; }} //Namespaces diff --git a/Mobi/Sources/MobiUtils.h b/Mobi/Sources/MobiUtils.h new file mode 100644 index 0000000..77731ef --- /dev/null +++ b/Mobi/Sources/MobiUtils.h @@ -0,0 +1,293 @@ +/* This file is part of Victor. + + Victor is free software: you can redistribute it and/or modify + it under the terms of the GNU General Public License as published by + the Free Software Foundation, either version 3 of the License, or + (at your option) any later version. + + Victor is distributed in the hope that it will be useful, + but WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the + GNU General Public License for more details. + + You should have received a copy of the GNU General Public License + along with Victor. If not, see . +*/ +/*! + * \author Luca Demo + * \date 2015 + */ + +#include +#include +#include +#include +#include +#include +#include + + +#ifndef MOBI_SOURCES_UTILS_H_ +#define MOBI_SOURCES_UTILS_H_ + +namespace Victor{ namespace Mobi{ + +/** + * @brief Provides utilities for Mobi operations + */ +class MobiUtils{ + + +public: + + /** + * Given a vector of numeric values, the function order it. It also switches values in another vector according to + * order operations on the first vector. + * @param vals reference to the first vector, to be ordered + * @param ord reference to the second vector + * @param left left bound to order + * @param right right bound to order + */ + static void sortVector(vector &vals, vector &ord, int left, int right) { + int i = left, j = right; + double tmpVal; + int tmpOrd; + double pivot = vals[(left + right) / 2]; + /* partition */ + while (i <= j) { + while (vals[i] < pivot) + i++; + while (vals[j] > pivot) + j--; + if (i <= j) { + tmpVal = vals[i]; + tmpOrd = ord[i]; + vals[i] = vals[j]; + ord[i] = ord[j]; + vals[j] = tmpVal; + ord[j] = tmpOrd; + i++; + j--; + } + }; + /* recursion */ + if (left < j) + sortVector(vals, ord, left, j); + if (i < right) + sortVector(vals, ord, i, right); + } + + + /** + * Calculate the rmsd distance given two spacers. + * @param mod1 reference to first model (Spacer) + * @param mod2 reference to second model (Spacer) + * @param atom atom to base distance calcutation on, default atom if not specified (CA) + * @return RMSD value + */ + static double rmsd(Spacer* mod1, Spacer* mod2, AtomCode atom){ + if (mod2->size() != mod1->size()) + ERROR("Reference protein spacer has a different number of Aminos",exception); + double rmsd = 0; + for (unsigned int i = 0; i < mod2->size(); i++){ //foreach Amino + if (mod2->getAmino(i).getType() != mod1->getAmino(i).getType()) + ERROR("Aminos order in the two sequences is not the same",exception); + Atom& mAtom = mod1->getAmino(i).getAtom(atom); + Atom& refAtom = mod2->getAmino(i).getAtom(atom); + + rmsd += (mAtom.getCoords() - refAtom.getCoords()).square(); + } + rmsd = sqrt(rmsd / mod2->size()); + return rmsd; + } + + /** + * Calculate the rmsd distance given a distance vector. + * @param distance distance vector + * @return (double) RMSD value + */ + static double rmsd(vector& distance){ + double rmsd = 0; + for (unsigned int i = 0; i < distance.size(); i++) //foreach Amino + rmsd += distance[i] * distance[i]; + rmsd = sqrt(rmsd / distance.size()); + return rmsd; + } + + /** + * Sort models from the most representative to the least one.\n + * Models are searched using in the protein provided by applying superimposition and calculatin all the RMSD between model pairs. + * The most representative model has the lowest average RMSD. + * @param protein pointer to protein + * @param tm pointer to the TM imposer object + * @return int vector containing the ordered model IDs + */ + static vector sortModels(MobiProtein* protein, TMScoreBinder* tm){ + vector models(protein->size()); + vector distance; + + if (protein->size() < 2) + ERROR("Cannot calculate average model of a protein with less of 2 models!",exception); + + VectorCollection distances; + VectorCollection scDist; + MobiMethods mm; + MobiMethods::distances(protein, tm, scDist, distances, mm); + + //Calculate RMSDs + vector modNames(models.size()); + vector modRmsd(models.size(),0.0); + + + for (unsigned int i=0; i < models.size(); i++){ + VectorCollection d2 = distances.getValuesByModel(i); + modNames[i]=i; + modRmsd[i] = d2.RMSD(); + } + + //Order the models + sortVector(modRmsd,modNames,0,modNames.size()-1); + + +// for (unsigned int i = 0; i < modNames.size(); i++) +// cout << modNames[i]+1 << " => " << modRmsd[i] << endl; + return modNames; + } + + /** + * Sort models from the most representative to the least one.\n + * Models are searched using the provided VectorCollection of distances between the models. + * RMSD is calculated and the most representative model has the lowest average RMSD. + * @param distances distances + * @return vector containing the ordered model IDs + */ + static vector sortModels(const VectorCollection& distances){ + vector models = distances.getModels(); + //Calculate RMSDs + vector modNames; + vector modRmsd; + + for (unsigned int i=0; i < models.size(); i++){ + VectorCollection d2 = distances.getValuesByModel(models[i]); + modNames.push_back(models[i]); + modRmsd.push_back(d2.RMSD()); + } + + //Order the models + sortVector(modRmsd,modNames,0,modNames.size()-1); + return modNames; + } + + /** + * Prints the fasta output on the specified stream. If output stream is cout, then print additional informations. + * @param mobi reference to MobiMethods with mobility tracks + * @param output reference to output stream, default is cout + */ + static void printFastaFile(MobiMethods& mobi, ostream& output = cout){ + if (output == cout){ //if output is cout, add more informations + output << "Victor Mobi Mobility results." << endl; + output << "d0 scaling value \t\td0 = " << mobi.getD0() << endl; + output << "Avg Scaled Distance \t\tTh = " << mobi.getSDTh() << endl; + output << "Standard deviation distance \tTh = " << mobi.getSDSDTh() << endl; + output << "Phi Angle \t\t\tTh = " << mobi.getPhiTh() << endl; + output << "Psi Angle \t\t\tTh = " << mobi.getPsiTh() << endl; + } + + output << "> Sequence" << endl; + for (unsigned int i = 0; i < mobi.getSequence().size(); i++) + output << mobi.getSequence()[i]; + output << endl << "> Average scale distance 0" << endl; + for (unsigned int i = 0; i < mobi.getSDMeanMobility().size(); i++) + output << (mobi.getSDMeanMobility()[i] == 1 ? "M" : "."); + output << endl << "> Standard deviation distance 1" << endl; + for (unsigned int i = 0; i < mobi.getSDDevsMobility().size(); i++) + output << (mobi.getSDDevsMobility()[i] == 1 ? "M" : "."); + output << endl << "> Phi angle 2" << endl; + for (unsigned int i = 0; i < mobi.getPhiMobility().size(); i++) + output << (mobi.getPhiMobility()[i] == 1 ? "M" : "."); + output << endl << "> Psi angle 3" << endl; + for (unsigned int i = 0; i < mobi.getPsiMobility().size(); i++) + output << (mobi.getPsiMobility()[i] == 1 ? "M" : "."); + output << endl << "> Secondary structure 4" << endl; + for (unsigned int i = 0; i < mobi.getSecMobility().size(); i++) + output << (mobi.getSecMobility()[i] == 1 ? "M" : (mobi.getSecMobility()[i] == 2 ? "c" : ".")); + output << endl << "> All 5"<< endl; + for (unsigned int i = 0; i < mobi.getMobiMobility().size(); i++) + output << (mobi.getMobiMobility()[i] == 1 ? "M" : "."); + } + + /** + * Saves a spacer in PDB format. Also writes MODEL and ENDMDL. + * Victor PdbSaver does not offer enough functionalities to do this, so this method exists... + * "Write residues" and "write secondary" options are ignored. + *@param prot pointer to protein containing models + *@param order vector ordered models IDs + *@param dist average scaled distance vector for this protein's models + *@param dev scaled distance standard deviation vector for this protein's models + *@param output output stream + *@return void + */ + static void saveMobiPdb(MobiProtein* prot, vector order, const vector& avgDist, const vector& distDev, ostream& output = cout){ + PdbSaver pdbSaver(output); + pdbSaver.setWriteAtomOnly(); + + output << "REMARK 1 Victor Mobi Mobility PDB output\n"; + output << "REMARK 1 Occupancy field has been replaced by scaled distance deviations\n"; + output << "REMARK 1 B-Factor field has been replaced by average scaled distance\n"; + for (unsigned int m = 0; m < order.size(); m++){ //Foreach model + output << "MODEL " << prot->getModelsID()[order[m]] << "\n"; + int aminoOffset = 0; //prot->getModel(m)->getStartOffset(); + for (unsigned int r = 0; r < prot->getModel(order[m])->sizeAmino(); r++){ //Foreach residue + //Amino offset + aminoOffset++; + while ((prot->getModel(order[m])->isGap(aminoOffset)) && (aminoOffset < prot->getModel(order[m])->maxPdbNumber())) + aminoOffset++; + AminoAcid& aa = prot->getModel(order[m])->getAmino(r); + + for (unsigned int a = 0; a < aa.size(); a++){ //Foreach Atom in AminoAcid + Atom& atom = aa[a]; + string aName = aa[a].getType(); + if (!isdigit(aName[0]) && (aName.size() < 4)) //Fix atom name string length to 4 chars + aName = ' ' + aName; + while (aName.size() < 4) + aName += ' '; + //write + output << "ATOM" << setw(7) << atom.getNumber() << " " << aName << " " + << aa.getType() << " " << prot->getChainLetter(0) << setw(4) << aminoOffset << " " + << setw(8) << fixed << setprecision(3) << atom.getCoords().x + << setw(8) << fixed << setprecision(3) << atom.getCoords().y + << setw(8) << fixed << setprecision(3) << atom.getCoords().z + << setw(6) << fixed << setprecision(2) << avgDist[a] + << setw(6) << fixed << setprecision(2) << distDev[a]*100 + << " " << (isdigit(aName[1]) ? aName[2] : aName[1]) << "\n"; + } + + } + output << "ENDMDL" << "\n"; + } + } + + + + static void saveScore(MobiMethods& score, char chain, ostream& output = cout){ + vector seq = score.getSequence(); + vector avg = score.getSDMeans(); + vector dev = score.getSDDevs(); + vector phi = score.getPhiAngles().mean(); + vector psi = score.getPsiAngles().mean(); + vector rmsd = score.getDistances().residueRMSD(); + vector mobi = score.getMobiMobility(); + if (output == cout) + output << "Mobi Mobility Score" << endl; + for (unsigned int i = 0; i < seq.size(); i++){ + output << i+1 << "\t" << chain << "\t" << seq[i] << "\t" << (mobi[i] == 1 ? "M" : "-") << "\t" + << setw(6) << fixed << setprecision(2) << avg[i] << "\t" + << setw(6) << fixed << setprecision(2) << dev[i] << "\t" + << setw(6) << fixed << setprecision(2) << phi[i] << "\t" + << setw(6) << fixed << setprecision(2) << psi[i] << "\t" + << setw(6) << fixed << setprecision(2) << rmsd[i] << endl; + } + } +}; +}} +#endif diff --git a/Mobi/Sources/TMScoreBinder.h b/Mobi/Sources/TMScoreBinder.h new file mode 100644 index 0000000..3ad7f89 --- /dev/null +++ b/Mobi/Sources/TMScoreBinder.h @@ -0,0 +1,75 @@ +/* This file is part of Victor. + + Victor is free software: you can redistribute it and/or modify + it under the terms of the GNU General Public License as published by + the Free Software Foundation, either version 3 of the License, or + (at your option) any later version. + + Victor is distributed in the hope that it will be useful, + but WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the + GNU General Public License for more details. + + You should have received a copy of the GNU General Public License + along with Victor. If not, see . +*/ +/*! + * \author Luca Demo + * \date 2015 + */ + +#ifndef MOBI_SOURCES_TMSCOREBINDER_H_ +#define MOBI_SOURCES_TMSCOREBINDER_H_ + +#include +#include + +using namespace Victor::Biopool; +using namespace Victor::Mobi; + +namespace Victor { namespace Mobi { + /** + * @brief base class that represent a binder to TMScore functionalities.\n + * Class that extends TMScoreBinder must provide reimplementation for methods + */ + class TMScoreBinder{ + public: + + /** + * @brief Given a MobiProtein superimpose two models contained in it. + * The superimposed (rotated/traslated) model is then loaded in a ProteinModel using the double pointer provided. + * @param prot (MobiProtein&) reference to ProteinModel object + * @param model1 (unsigned int) model#1 name in ProteinModel object + * @param model2 (unsigned int) model#2 name in ProteinModel object + * @param imposedModel (MobiProtein**) double pointer of type ProteinModel, as output + */ + virtual double TMScore(MobiProtein& prot, unsigned int model1, unsigned int model2, MobiProtein** imposedModel){ + ERROR("Unimplemented Method TMImpose(ProteinModel&, uint, uint, ProteinModel**)!",exception); + return 0; + } + + /** + * @brief Superimposition of two models + * The superimposed (rotated/traslated) model is then loaded in a ProteinModel using the double pointer provided. + * @param prot1 (MobiProtein&) reference to the fist ProteinModel + * @param model1 (unsigned int) model#1 name in the first ProteinModel object + * @param prot2 (MobiProtein&) reference to the second ProteinModel + * @param model2 (unsigned int) model#2 name in the second ProteinModel object + * @param imposedModel (MobiProtein**) double pointer of type ProteinModel, as output + */ + virtual double TMScore(MobiProtein& prot1, unsigned int model1, MobiProtein& prot2, unsigned int model2, MobiProtein** imposedModel){ + ERROR("Unimplemented Method TMImpose (ProteinModel&, uint, ProteinModel&, uint, ProteinModel**)!",exception); + return 0; + } + + /** + * Default destructor + */ + virtual ~TMScoreBinder(){} + }; + +}} + + + +#endif /* MOBI_SOURCES_TMSCOREBINDER_H_ */ diff --git a/Mobi/Sources/VectorCollection.h b/Mobi/Sources/VectorCollection.h index 13aa04c..14a39e8 100644 --- a/Mobi/Sources/VectorCollection.h +++ b/Mobi/Sources/VectorCollection.h @@ -120,7 +120,7 @@ class VectorCollection{ * Returns a list of all the model partecipating in this collection * @return (vector) models */ - vector getModels(){ + vector getModels() const{ if (!safePairID) cout << "[VectorCollection] getModels() Warning: vectors has been added with CUSTOM ids!"; vector models; @@ -138,7 +138,7 @@ class VectorCollection{ * @param model (int) the model to search * @return (VectorCollection) subcollection relative to the model */ - VectorCollection getValuesByModel(int model){ + VectorCollection getValuesByModel(int model) const{ if (!safePairID) cout << "[VectorCollection] getValuesByModel() Warning: vectors has been added with CUSTOM ids!"; VectorCollection outVC; @@ -158,7 +158,7 @@ class VectorCollection{ * Returns the length of vectors in this collection * @return (unsigned int) length */ - unsigned int vectorsSize(){ + unsigned int vectorsSize() const{ if (size() < 1) ERROR("Cannot get model lenght, since there are no models in this SDResult object",exception); return this->results->begin()->second.size(); @@ -168,7 +168,7 @@ class VectorCollection{ * Returns the size of this collection * @return (unsigned int) size */ - unsigned int size(){ + unsigned int size() const{ return this->results->size(); } @@ -184,7 +184,7 @@ class VectorCollection{ * Calculates the means of values in same position in the vectors * @return (vector) means */ - vector mean(){ + vector mean() const{ vector mean = vector(this->vectorsSize(),0.0); typename std::map >::const_iterator it; for (it = this->results->begin(); it != this->results->end(); ++it) @@ -199,7 +199,7 @@ class VectorCollection{ * Calculates the standard deviation of values in same position in the vectors * @return (vector) standard deviations */ - vector stdDev(){ + vector stdDev() const{ vector mean = this->mean(); vector sd = vector(this->vectorsSize(),0.0); typename std::map >::const_iterator it; @@ -215,7 +215,7 @@ class VectorCollection{ * Calculate rmsd for all distance records inside this VectorCollection and return their average * @return (double) mean rmsd */ - V RMSD(){ + V RMSD() const{ V rmsd = 0; V singleRmsd; typename std::map >::const_iterator it; @@ -230,7 +230,7 @@ class VectorCollection{ } - vector residueRMSD(){ + vector residueRMSD() const{ vector rmsd(vectorsSize(),0); for (typename std::map >::const_iterator it = this->results->begin(); it != this->results->end(); ++it) //foreach distance record diff --git a/Mobi/Tests/TestMobi.cc b/Mobi/Tests/TestMobi.cc index c4482c3..58dae9b 100644 --- a/Mobi/Tests/TestMobi.cc +++ b/Mobi/Tests/TestMobi.cc @@ -35,10 +35,10 @@ int main() { cout << "Creating Test Suites:" << endl; - runner.addTest(TestVectorCollection::suite()); +// runner.addTest(TestVectorCollection::suite()); // runner.addTest(TestMobiProtein::suite()); // runner.addTest(TestTM::suite()); -// runner.addTest(TestMobiMethods::suite()); + runner.addTest(TestMobiMethods::suite()); // runner.addTest(MadTests::suite()); cout<< "Running the unit tests." << endl; diff --git a/Mobi/Tests/TestMobiMethods.h b/Mobi/Tests/TestMobiMethods.h new file mode 100644 index 0000000..91bec77 --- /dev/null +++ b/Mobi/Tests/TestMobiMethods.h @@ -0,0 +1,178 @@ +/* This file is part of Victor. + + Victor is free software: you can redistribute it and/or modify + it under the terms of the GNU General Public License as published by + the Free Software Foundation, either version 3 of the License, or + (at your option) any later version. + + Victor is distributed in the hope that it will be useful, + but WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the + GNU General Public License for more details. + + You should have received a copy of the GNU General Public License + along with Victor. If not, see . +*/ +/*! + * \author Luca Demo + * \date 2015 + */ +#include +#include +#include +#include +#include +#include + +#include +#include +#include +#include +#include +#include +#include + +using namespace std; +using namespace Victor::Mobi; + +class TestMobiMethods : public CppUnit::TestFixture { + +public: + + TestMobiMethods(){} + + virtual ~TestMobiMethods(){} + + static CppUnit::Test *suite() { + CppUnit::TestSuite *suiteOfTests = new CppUnit::TestSuite("TestMobiMethods"); + + suiteOfTests->addTest(new CppUnit::TestCaller("Test1 - Test Ordering models", + &TestMobiMethods::TestOrderModel)); + + suiteOfTests->addTest(new CppUnit::TestCaller("Test2 - Scaled Distance", + &TestMobiMethods::testDistances)); + + suiteOfTests->addTest(new CppUnit::TestCaller("Test3 - Filters", + &TestMobiMethods::testFilters)); + + suiteOfTests->addTest(new CppUnit::TestCaller("Test4 - Complete Mobi test", + &TestMobiMethods::testMobiMobility)); + + return suiteOfTests; + + } + + void setUp(){} + + void tearDown(){} + +protected: + + void testDistances(){ + cout << ">>>\tTestMobiMethods >>> Test Scaled distance" << endl; + string path = getenv("VICTOR_ROOT"); + string inputFile = path + "Mobi/Tests/data/1AB2_input.pdb"; + string TMDir = path + "Mobi/Tests/data/"; + ifstream inFile(inputFile.c_str()); + if (!inFile) + ERROR("Input file not found.", exception); + + TMScoreBinder *tm = new TMScoreBin(TMDir+"TMScore", TMDir, false); + + PdbLoader pl(inFile); + pl.setNoVerbose(); + MobiProtein* prot = new MobiProtein(); + vector models = vector(); + models.push_back(1); + models.push_back(2); + models.push_back(3); + models.push_back(4); + prot->load(pl,models); + CPPUNIT_ASSERT(prot->size() == 4); + + VectorCollection sDist; + VectorCollection dist; + MobiMethods mm; + + MobiMethods::distances(prot,tm,sDist,dist,mm); + vector sd = sDist.mean(); + vector sdsd = sDist.stdDev(); + CPPUNIT_ASSERT(sd[0] > 0.106 && sd[0] < 0.107); + } + + + + void testMobiMobility(){ + cout << endl << ">>>\tTestMobiMethods >>> Full Mobi Mobility" << endl; + string path = getenv("VICTOR_ROOT"); + string inputFile = path + "Mobi/Tests/data/1AB2_input.pdb"; + string TMDir = path + "Mobi/Tests/data/"; + ifstream inFile(inputFile.c_str()); + if (!inFile) + ERROR("Input file not found.", exception); + + //loading models + cout << "loading models..." << endl; + PdbLoader pl(inFile); + MobiProtein* prot = new MobiProtein(); + vector models = prot->load(pl); + TMScoreBin tm(TMDir+"TMScore", TMDir, false); + MobiMethods mm; + mm.verbosity(1); + cout << "Call to mobiMobility..." << endl; + vector mobility = mm.mobiMobility(prot,&tm); + + //this is the expected mobility as for original Mobi + string expected = "MMMMMMM.................MMMMMM.......MMMMMMM......................................................MMMMMMMMMMM"; + CPPUNIT_ASSERT(mobility.size() == expected.size()); + double match = .0; + for (unsigned int i = 0; i < mobility.size(); i++) + if ((mobility[i] == 1 && expected[i] == 'M') ||(mobility[i] == 0 && expected[i] == '.')) + match += 1.0; + match /= mobility.size(); + cout << "Obtained mobility is " << match << "% compatible (>90%) with the expected one\nMismatch on " << (int)(mobility.size()-(match*mobility.size())) << " residues over "<< mobility.size() << endl; + CPPUNIT_ASSERT(match > .9); + delete prot; + } + + void testFilters(){ + int sd[40] = {1,0,0,1,0,0,0,1,1,0,1,1,0,1,1,0,0,1,1,0,1,1,1,1,1,0,0,0,1,0,1,0,1,0,1,1,0,0,1,0}; + int dev[40] = {1,1,0,0,0,0,1,1,1,0,0,0,0,1,0,0,0,1,1,0,0,0,1,1,1,0,0,0,1,1,1,0,1,0,0,1,0,0,1,1}; + int psi[40] = {1,1,0,0,0,0,1,1,1,0,0,0,0,1,0,0,0,1,1,1,0,0,1,1,1,0,0,0,1,0,1,0,1,0,0,1,0,0,1,1}; + int phi[40] = {0,1,1,0,0,0,1,1,1,0,0,0,0,0,0,0,0,1,0,1,0,0,1,1,0,0,0,0,1,1,0,1,1,0,0,1,0,1,1,1}; + int dssp[40] = {2,0,1,1,2,0,1,0,2,0,0,0,1,1,0,0,0,1,1,0,0,1,2,1,0,0,0,1,1,2,0,1,1,0,1,2,1,1,2,2}; + vector sdv(sd,sd + sizeof sd / sizeof sd[0]); + vector devv(dev,dev + sizeof dev / sizeof dev[0]); + vector psiv(psi,psi + sizeof psi / sizeof psi[0]); + vector phiv(phi,phi + sizeof phi / sizeof phi[0]); + vector dsspv(dssp,dssp + sizeof dssp / sizeof dssp[0]); + vector a; + MobiMethods mm; + mm.verbosity(0); + + + vector w = MobiMethods::SDFilters(sdv,devv,dsspv,phiv,psiv,mm); + } + + void TestOrderModel(){ + cout << endl << ">>>\tTestMobiUtils >>> Ordering Models" << endl; + string path = getenv("VICTOR_ROOT"); + string inputFile = path + "Mobi/Tests/data/1AB2_input.pdb"; + string TMDir = path + "Mobi/Tests/data/"; + ifstream inFile(inputFile.c_str()); + if (!inFile) + ERROR("Input file not found.", exception); + + //loading models + PdbLoader pl(inFile); + MobiProtein* prot = new MobiProtein(); + prot->load(pl); + TMScoreBin tm(TMDir+"TMScore", TMDir, false); + + vector sorted = MobiUtils::sortModels(prot,&tm); + CPPUNIT_ASSERT(sorted[0] == 16); + delete prot; + } +}; + + From e915b6afb227b3c8ddf4f32417723f2f084b13c9 Mon Sep 17 00:00:00 2001 From: LucaDemo Date: Wed, 29 Jul 2015 14:28:01 +0200 Subject: [PATCH 20/25] - fixes to mobility filters --- Mobi/Sources/MobiMethods.cc | 74 +++++++++++++++++++------------------ 1 file changed, 38 insertions(+), 36 deletions(-) diff --git a/Mobi/Sources/MobiMethods.cc b/Mobi/Sources/MobiMethods.cc index 206c7d5..d8d07d4 100644 --- a/Mobi/Sources/MobiMethods.cc +++ b/Mobi/Sources/MobiMethods.cc @@ -188,15 +188,14 @@ vector MobiMethods::mobiMobility(MobiProtein* protein, TMScoreBinder* tm){ SDDevsMobility = vector(SDDevs.size()); for (unsigned int i = 0; i < SDDevs.size(); i++) SDDevsMobility[i] = SDDevs[i] > sdsd_th ? 1 : 0; - //Psi angles - psis(protein,psiAngles); //values are cleared inside getPhis + psis(protein,psiAngles); psiDev = psiAngles.stdDev(); PsiMobility = vector(psiDev.size()); for (unsigned int i = 0; i < psiDev.size(); i++) PsiMobility[i] = psiDev[i] > psi_th ? 1 : 0; //Phi angles - phis(protein,phiAngles); //values are cleared inside getPhis + phis(protein,phiAngles); phiDev = phiAngles.stdDev(); PhiMobility = vector(phiDev.size()); for (unsigned int i = 0; i < phiDev.size(); i++) @@ -207,6 +206,7 @@ vector MobiMethods::mobiMobility(MobiProtein* protein, TMScoreBinder* tm){ //Calculate Mobi Mobility mobiMob = SDFilters(); + done = true; return mobiMob; } @@ -226,67 +226,67 @@ vector MobiMethods::SDFilters(vector const &sd, vector const &sds //Patterns in SD //1011 -> 1111 - for (unsigned int i = 1; i < sdm.size() - 2; i++) - if (sdm[i] == 0 && sdm[i-1] == 1 && sdm[i+1] == 1 && sdm[i+2] == 1){ - sdm[i] = 1; - i+=2; + for (unsigned int i = 0; i < sdm.size() - 3; i++) + if (sdm[i] == 1 && sdm[i+1] == 0 && sdm[i+2] == 1 && sdm[i+3] == 1){ + sdm[i+1] = 1; + i+=2; //jump to next possible pattern (+3 considering ++ of for cycle) if (mm.verbosity() > 1) printVector(sdm, "1011->1111"); } //1101 -> 1111 - for (unsigned int i = 2; i < sdm.size() - 1; i++) - if (sdm[i] == 0 && sdm[i-1] == 1 && sdm[i-2] == 1 && sdm[i+1] == 1){ - sdm[i] = 1; - i+=1; + for (unsigned int i = 0; i < sdm.size() - 3; i++) + if (sdm[i] == 1 && sdm[i+1] == 1 && sdm[i+2] == 0 && sdm[i+3] == 1){ + sdm[i+2] = 1; + i+=2; //jump to next possible pattern (+3 considering ++ of for cycle) if (mm.verbosity() > 1) printVector(sdm, "1101->1111"); } //10011 -> 11111 - for (unsigned int i = 1; i < sdm.size() - 3; i++) - if (sdm[i] == 0 && sdm[i+1] == 0 && sdm[i-1] == 1 && sdm[i+2] == 1 && sdm[i+3] == 1){ - sdm[i] = 1; + for (unsigned int i = 1; i < sdm.size() - 4; i++) + if (sdm[i] == 1 && sdm[i+1] == 0 && sdm[i+2] == 0 && sdm[i+3] == 1 && sdm[i+4] == 1){ sdm[i+1] = 1; - i+=3; + sdm[i+2] = 1; + i+=3; //jump to next possible pattern (+4 considering ++ of for cycle) if (mm.verbosity() > 1) printVector(sdm,"10011->11111"); } //11001 -> 11111 - for (unsigned int i = 2; i < sdm.size() -2; i++) - if (sdm[i] == 0 && sdm[i+1] == 0 && sdm[i-1] == 1 && sdm[i-2] == 1 && sdm[i+2] == 1){ - sdm[i] = 1; - sdm[i+1] = 1; - i+=2; + for (unsigned int i = 1; i < sdm.size() - 4; i++) + if (sdm[i] == 1 && sdm[i+1] == 1 && sdm[i+2] == 0 && sdm[i+3] == 0 && sdm[i+4] == 1){ + sdm[i+2] = 1; + sdm[i+3] = 1; + i+=3; //jump to next possible pattern (+4 considering ++ of for cycle) if (mm.verbosity() > 1) - printVector(sdm,"11001->11111"); + printVector(sdm,"10011->11111"); } //01010 -> 00000 - for (unsigned int i = 0; i < sdm.size() - 4; i++) + for (unsigned int i = 1; i < sdm.size() - 4; i++) if (sdm[i] == 0 && sdm[i+1] == 1 && sdm[i+2] == 0 && sdm[i+3] == 1 && sdm[i+4] == 0){ sdm[i+1] = 0; sdm[i+3] = 0; - i+=3; + i+=3; //jump to next possible pattern (+4 considering ++ of for cycle) if (mm.verbosity() > 1) - printVector(sdm,"01010->00000"); + printVector(sdm,"10011->11111"); } //00100 -> 00000 - for (unsigned int i = 2; i < sdm.size() - 2; i++) - if (sdm[i] == 1 && sdm[i+1] == 0 && sdm[i+2] == 0 && sdm[i-1] == 0 && sdm[i-2] == 0){ - sdm[i] = 0; - i+=2; + for (unsigned int i = 1; i < sdm.size() - 4; i++) + if (sdm[i] == 0 && sdm[i+1] == 0 && sdm[i+2] == 1 && sdm[i+3] == 0 && sdm[i+4] == 0){ + sdm[i+2] = 0; + i+=2; //jump to next possible pattern (+3 considering ++ of for cycle) if (mm.verbosity() > 1) - printVector(sdm,"00100->00000"); + printVector(sdm,"10011->11111"); } //001100 -> 000000 - for (unsigned int i = 2; i < sdm.size() - 3; i++) - if (sdm[i] == 1 && sdm[i+1] == 1 && sdm[i-1] == 0 && sdm[i-2] == 0 && sdm[i+2] == 0 && sdm[i+3] == 0){ - sdm[i] = 0; - sdm[i+1] = 0; - i+=3; + for (unsigned int i = 1; i < sdm.size() - 5; i++) + if (sdm[i] == 0 && sdm[i+1] == 0 && sdm[i+2] == 1 && sdm[i+3] == 1 && sdm[i+4] == 0 && sdm[i+5] == 0){ + sdm[i+2] = 0; + sdm[i+3] = 0; + i+=3; //jump to next possible pattern (+4 considering ++ of for cycle) if (mm.verbosity() > 1) - printVector(sdm,"001100->000000"); + printVector(sdm,"10011->11111"); } - //Other patterns + //Final patterns //110->111 for (unsigned int i = 0; i < sdm.size() - 2; i++) if (sdm[i] == 1 && sdm[i+1] == 1 && sdm[i+2] == 0) @@ -294,6 +294,7 @@ vector MobiMethods::SDFilters(vector const &sd, vector const &sds sdm[i+2] = 1; if (mm.verbosity() > 1) printVector(sdm, "110->111"); + i += 2; //jump to next possible pattern (+3 considering ++ of for cycle) } //011->111 for (unsigned int i = 0; i < sdm.size() - 2; i++) @@ -302,6 +303,7 @@ vector MobiMethods::SDFilters(vector const &sd, vector const &sds sdm[i] = 1; if (mm.verbosity() > 1) printVector(sdm, "011->111"); + i += 2; //jump to next possible pattern (+3 considering ++ of for cycle) } return sdm; From 617dc16452de988d5164c98adfcf3f1df8d903d2 Mon Sep 17 00:00:00 2001 From: LucaDemo Date: Thu, 30 Jul 2015 00:01:04 +0200 Subject: [PATCH 21/25] - fixes to mobi filters - changed DSSP data structure - docfix - new doxyconf --- Mobi/APPS/Mobi.cc | 13 +++-- Mobi/Sources/MobiMethods.cc | 4 +- Mobi/Sources/MobiProtein.h | 2 +- Mobi/Sources/MobiUtils.h | 4 +- doxyconf | 98 ++++++++++++++++++------------------- 5 files changed, 65 insertions(+), 56 deletions(-) diff --git a/Mobi/APPS/Mobi.cc b/Mobi/APPS/Mobi.cc index 4b02e6c..3f943a5 100644 --- a/Mobi/APPS/Mobi.cc +++ b/Mobi/APPS/Mobi.cc @@ -44,7 +44,7 @@ void sShowHelp() { << "\t-o \t Output mobility tracks to FASTA file (default stdout)\n" << "\t-p \t Output ordered models in PDB file (default is no output)\n" << "\t-s \t Output residue mobility \"score\" (default is no output)\n" - << "\t-c \t Chain identifier to read (default if first chain)\n" + << "\t-c \t Chain identifier to read (default is first chain)\n" << "\t-m \t NMR models numbers to read, comma separated list (default is all models)\n" << "\t-t \t TMscore binary path (default is ./TMscore)\n" << "\t--d0 \t d0 scaling factor for scaled distance. Default = 4\n" @@ -222,9 +222,16 @@ int main(int argc, char* argv[]) { cout << "Models saved in Pdb file: " << outputPdb << endl; } + if (outputScore != "!"){ //Save Score + ofstream scoreOut(outputScore.c_str()); + MobiUtils::saveScore(mm,chainID[0],scoreOut); + scoreOut.close(); + if (verbose) + cout << "Score saved in file: " << outputScore << endl; + } + + - ofstream scoreOut("score.txt"); - MobiUtils::saveScore(mm,chainID[0],scoreOut); //Close tm->cleanup(); delete prot; diff --git a/Mobi/Sources/MobiMethods.cc b/Mobi/Sources/MobiMethods.cc index d8d07d4..0cd1f40 100644 --- a/Mobi/Sources/MobiMethods.cc +++ b/Mobi/Sources/MobiMethods.cc @@ -134,9 +134,11 @@ vector MobiMethods::secondaryMobi(MobiProtein* protein){ //Build DSSP matrix for this protein //1st index = Rows = models; 2nd index = Columns = Residues - char protDSSP[protLen][modLen]; + vector > protDSSP(protLen); + //char protDSSP[protLen][modLen]; //not ISO C++ for (unsigned int i = 0; i < protLen; i++){ //foreach i model //get DSSP for i-model + protDSSP[i] = vector(modLen,0); vector > modelDSSP = protein->getModel(i)->getDSSP(); if (modelDSSP.size() != modLen) ERROR("DSSP length differs from expected",exception); diff --git a/Mobi/Sources/MobiProtein.h b/Mobi/Sources/MobiProtein.h index 47d119f..edc9c7c 100644 --- a/Mobi/Sources/MobiProtein.h +++ b/Mobi/Sources/MobiProtein.h @@ -58,7 +58,7 @@ namespace Victor { namespace Mobi { * @param model (unsigned int) the model internal id (not original Pdb model name) to get * @return (Spacer&) the model */ - Spacer* getModel(unsigned int _model); + Spacer* getModel(unsigned int model); /** * Set verbosity to this class methods diff --git a/Mobi/Sources/MobiUtils.h b/Mobi/Sources/MobiUtils.h index 77731ef..c2ac4cf 100644 --- a/Mobi/Sources/MobiUtils.h +++ b/Mobi/Sources/MobiUtils.h @@ -222,8 +222,8 @@ class MobiUtils{ * "Write residues" and "write secondary" options are ignored. *@param prot pointer to protein containing models *@param order vector ordered models IDs - *@param dist average scaled distance vector for this protein's models - *@param dev scaled distance standard deviation vector for this protein's models + *@param avgDist average scaled distance vector for this protein's models + *@param distDev scaled distance standard deviation vector for this protein's models *@param output output stream *@return void */ diff --git a/doxyconf b/doxyconf index b100b53..33cd337 100644 --- a/doxyconf +++ b/doxyconf @@ -31,14 +31,14 @@ PROJECT_NAME = Victor # This could be handy for archiving the generated documentation or # if some version control system is used. -PROJECT_NUMBER = +PROJECT_NUMBER = # The OUTPUT_DIRECTORY tag is used to specify the (relative or absolute) # base path where the generated documentation will be put. # If a relative path is entered, it will be relative to the location # where doxygen was started. If left blank the current directory will be used. -OUTPUT_DIRECTORY = . +OUTPUT_DIRECTORY = . # If the CREATE_SUBDIRS tag is set to YES, then doxygen will create # 4096 sub-directories (in 2 levels) under the output directory of each output @@ -86,7 +86,7 @@ REPEAT_BRIEF = YES # "The $name file" "is" "provides" "specifies" "contains" # "represents" "a" "an" "the" -ABBREVIATE_BRIEF = +ABBREVIATE_BRIEF = # If the ALWAYS_DETAILED_SEC and REPEAT_BRIEF tags are both set to YES then # Doxygen will generate a detailed section even if there is only a brief @@ -114,7 +114,7 @@ FULL_PATH_NAMES = YES # If left blank the directory from which doxygen is run is used as the # path to strip. -STRIP_FROM_PATH = +STRIP_FROM_PATH = # The STRIP_FROM_INC_PATH tag can be used to strip a user-defined part of # the path mentioned in the documentation of a class, which tells @@ -123,7 +123,7 @@ STRIP_FROM_PATH = # definition is used. Otherwise one should specify the include paths that # are normally passed to the compiler using the -I flag. -STRIP_FROM_INC_PATH = +STRIP_FROM_INC_PATH = # If the SHORT_NAMES tag is set to YES, doxygen will generate much shorter # (but less readable) file names. This can be useful is your file systems @@ -179,14 +179,14 @@ TAB_SIZE = 8 # will result in a user-defined paragraph with heading "Side Effects:". # You can put \n's in the value part of an alias to insert newlines. -ALIASES = +ALIASES = # Set the OPTIMIZE_OUTPUT_FOR_C tag to YES if your project consists of C # sources only. Doxygen will then generate output that is more tailored for C. # For instance, some of the names that are used will be different. The list # of all members will be omitted, etc. -OPTIMIZE_OUTPUT_FOR_C = YES +OPTIMIZE_OUTPUT_FOR_C = NO # Set the OPTIMIZE_OUTPUT_JAVA tag to YES if your project consists of Java # sources only. Doxygen will then generate output that is more tailored for @@ -216,7 +216,7 @@ OPTIMIZE_OUTPUT_VHDL = NO # .inc files as Fortran files (default is PHP), and .f files as C (default is Fortran), # use: inc=Fortran f=C. Note that for custom extensions you also need to set FILE_PATTERNS otherwise the files are not read by doxygen. -EXTENSION_MAPPING = +EXTENSION_MAPPING = # If you use STL classes (i.e. std::string, std::vector, etc.) but do not want # to include (a tag file for) the STL sources as input, then you should @@ -336,14 +336,14 @@ EXTRACT_ANON_NSPACES = NO # various overviews, but no documentation section is generated. # This option has no effect if EXTRACT_ALL is enabled. -HIDE_UNDOC_MEMBERS = YES +HIDE_UNDOC_MEMBERS = NO # If the HIDE_UNDOC_CLASSES tag is set to YES, Doxygen will hide all # undocumented classes that are normally visible in the class hierarchy. # If set to NO (the default) these classes will be included in the various # overviews. This option has no effect if EXTRACT_ALL is enabled. -HIDE_UNDOC_CLASSES = YES +HIDE_UNDOC_CLASSES = NO # If the HIDE_FRIEND_COMPOUNDS tag is set to YES, Doxygen will hide all # friend (class|struct|union) declarations. @@ -453,12 +453,12 @@ GENERATE_BUGLIST = NO # disable (NO) the deprecated list. This list is created by putting # \deprecated commands in the documentation. -GENERATE_DEPRECATEDLIST= NO +GENERATE_DEPRECATEDLIST = NO # The ENABLED_SECTIONS tag can be used to enable conditional # documentation sections, marked by \if sectionname ... \endif. -ENABLED_SECTIONS = +ENABLED_SECTIONS = # The MAX_INITIALIZER_LINES tag determines the maximum number of lines # the initial value of a variable or define consists of for it to appear in @@ -503,7 +503,7 @@ SHOW_NAMESPACES = YES # provided by doxygen. Whatever the program writes to standard output # is used as the file version. See the manual for examples. -FILE_VERSION_FILTER = +FILE_VERSION_FILTER = # The LAYOUT_FILE tag can be used to specify a layout file which will be parsed by # doxygen. The layout file controls the global structure of the generated output files @@ -512,7 +512,7 @@ FILE_VERSION_FILTER = # file name after the option, if omitted DoxygenLayout.xml will be used as the name # of the layout file. -LAYOUT_FILE = +LAYOUT_FILE = #--------------------------------------------------------------------------- # configuration options related to warning and progress messages @@ -563,7 +563,7 @@ WARN_FORMAT = "$file:$line: $text" # and error messages should be written. If left blank the output is written # to stderr. -WARN_LOGFILE = +WARN_LOGFILE = #--------------------------------------------------------------------------- # configuration options related to the input files @@ -591,7 +591,7 @@ INPUT_ENCODING = UTF-8 # *.c *.cc *.cxx *.cpp *.c++ *.java *.ii *.ixx *.ipp *.i++ *.inl *.h *.hh *.hxx # *.hpp *.h++ *.idl *.odl *.cs *.php *.php3 *.inc *.m *.mm *.py *.f90 -FILE_PATTERNS =*.h *.cc +FILE_PATTERNS = *.h *.cc # The RECURSIVE tag can be used to turn specify whether or not subdirectories # should be searched for input files as well. Possible values are YES and NO. @@ -603,7 +603,7 @@ RECURSIVE = YES # excluded from the INPUT source files. This way you can easily exclude a # subdirectory from a directory tree whose root is specified with the INPUT tag. -EXCLUDE = Biopool/Tests/ Energy/Tests/ Lobo/Tests/ Align2/Tests/ tools/ +EXCLUDE = Biopool/Tests/ Energy/Tests/ Lobo/Tests/ Align2/Tests/ tools/ Mobi/Tests # The EXCLUDE_SYMLINKS tag can be used select whether or not files or # directories that are symbolic links (a Unix filesystem feature) are excluded @@ -617,7 +617,7 @@ EXCLUDE_SYMLINKS = NO # against the file with absolute path, so to exclude all test directories # for example use the pattern */test/* -EXCLUDE_PATTERNS = +EXCLUDE_PATTERNS = # The EXCLUDE_SYMBOLS tag can be used to specify one or more symbol names # (namespaces, classes, functions, etc.) that should be excluded from the @@ -625,20 +625,20 @@ EXCLUDE_PATTERNS = # wildcard * is used, a substring. Examples: ANamespace, AClass, # AClass::ANamespace, ANamespace::*Test -EXCLUDE_SYMBOLS = +EXCLUDE_SYMBOLS = # The EXAMPLE_PATH tag can be used to specify one or more files or # directories that contain example code fragments that are included (see # the \include command). -EXAMPLE_PATH = +EXAMPLE_PATH = # If the value of the EXAMPLE_PATH tag contains directories, you can use the # EXAMPLE_PATTERNS tag to specify one or more wildcard pattern (like *.cpp # and *.h) to filter out the source-files in the directories. If left # blank all files are included. -EXAMPLE_PATTERNS = +EXAMPLE_PATTERNS = # If the EXAMPLE_RECURSIVE tag is set to YES then subdirectories will be # searched for input files to be used with the \include or \dontinclude @@ -651,7 +651,7 @@ EXAMPLE_RECURSIVE = NO # directories that contain image that are included in the documentation (see # the \image command). -IMAGE_PATH = +IMAGE_PATH = # The INPUT_FILTER tag can be used to specify a program that doxygen should # invoke to filter for each input file. Doxygen will invoke the filter program @@ -662,7 +662,7 @@ IMAGE_PATH = # If FILTER_PATTERNS is specified, this tag will be # ignored. -INPUT_FILTER = +INPUT_FILTER = # The FILTER_PATTERNS tag can be used to specify filters on a per file pattern # basis. @@ -673,7 +673,7 @@ INPUT_FILTER = # info on how filters are used. If FILTER_PATTERNS is empty, INPUT_FILTER # is applied to all files. -FILTER_PATTERNS = +FILTER_PATTERNS = # If the FILTER_SOURCE_FILES tag is set to YES, the input filter (if set using # INPUT_FILTER) will be used to filter the input files when producing source @@ -758,7 +758,7 @@ COLS_IN_ALPHA_INDEX = 20 # The IGNORE_PREFIX tag can be used to specify one or more prefixes that # should be ignored while generating the index headers. -IGNORE_PREFIX = +IGNORE_PREFIX = #--------------------------------------------------------------------------- # configuration options related to the HTML output @@ -785,13 +785,13 @@ HTML_FILE_EXTENSION = .html # each generated HTML page. If it is left blank doxygen will generate a # standard header. -HTML_HEADER = +HTML_HEADER = # The HTML_FOOTER tag can be used to specify a personal HTML footer for # each generated HTML page. If it is left blank doxygen will generate a # standard footer. -HTML_FOOTER = +HTML_FOOTER = # The HTML_STYLESHEET tag can be used to specify a user-defined cascading # style sheet that is used by each HTML page. It can be used to @@ -800,7 +800,7 @@ HTML_FOOTER = # the style sheet file to the HTML output directory, so don't put your own # stylesheet in the HTML output directory as well, or it will be erased! -HTML_STYLESHEET = +HTML_STYLESHEET = # If the HTML_TIMESTAMP tag is set to YES then the footer of each generated HTML # page will contain the date and time when the page was generated. Setting @@ -860,14 +860,14 @@ GENERATE_HTMLHELP = NO # can add a path in front of the file if the result should not be # written to the html output directory. -CHM_FILE = +CHM_FILE = # If the GENERATE_HTMLHELP tag is set to YES, the HHC_LOCATION tag can # be used to specify the location (absolute path including file name) of # the HTML help compiler (hhc.exe). If non-empty doxygen will try to run # the HTML help compiler on the generated index.hhp. -HHC_LOCATION = +HHC_LOCATION = # If the GENERATE_HTMLHELP tag is set to YES, the GENERATE_CHI flag # controls if a separate .chi index file is generated (YES) or that @@ -879,7 +879,7 @@ GENERATE_CHI = NO # is used to encode HtmlHelp index (hhk), content (hhc) and project file # content. -CHM_INDEX_ENCODING = +CHM_INDEX_ENCODING = # If the GENERATE_HTMLHELP tag is set to YES, the BINARY_TOC flag # controls whether a binary table of contents is generated (YES) or a @@ -903,7 +903,7 @@ GENERATE_QHP = NO # be used to specify the file name of the resulting .qch file. # The path specified is relative to the HTML output folder. -QCH_FILE = +QCH_FILE = # The QHP_NAMESPACE tag specifies the namespace to use when generating # Qt Help Project output. For more information please see @@ -921,25 +921,25 @@ QHP_VIRTUAL_FOLDER = doc # For more information please see # http://doc.trolltech.com/qthelpproject.html#custom-filters -QHP_CUST_FILTER_NAME = +QHP_CUST_FILTER_NAME = # The QHP_CUST_FILT_ATTRS tag specifies the list of the attributes of the custom filter to add.For more information please see # Qt Help Project / Custom Filters. -QHP_CUST_FILTER_ATTRS = +QHP_CUST_FILTER_ATTRS = # The QHP_SECT_FILTER_ATTRS tag specifies the list of the attributes this project's # filter section matches. # Qt Help Project / Filter Attributes. -QHP_SECT_FILTER_ATTRS = +QHP_SECT_FILTER_ATTRS = # If the GENERATE_QHP tag is set to YES, the QHG_LOCATION tag can # be used to specify the location of Qt's qhelpgenerator. # If non-empty doxygen will try to run qhelpgenerator on the generated # .qhp file. -QHG_LOCATION = +QHG_LOCATION = # If the GENERATE_ECLIPSEHELP tag is set to YES, additional index files # will be generated, which together with the HTML files, form an Eclipse help @@ -1045,12 +1045,12 @@ RTF_HYPERLINKS = NO # config file, i.e. a series of assignments. You only have to provide # replacements, missing definitions are set to their default value. -RTF_STYLESHEET_FILE = +RTF_STYLESHEET_FILE = # Set optional variables used in the generation of an rtf document. # Syntax is similar to doxygen's config file. -RTF_EXTENSIONS_FILE = +RTF_EXTENSIONS_FILE = #--------------------------------------------------------------------------- # configuration options related to the man page output @@ -1124,7 +1124,7 @@ PERLMOD_PRETTY = YES # This is useful so different doxyrules.make files included by the same # Makefile don't overwrite each other's variables. -PERLMOD_MAKEVAR_PREFIX = +PERLMOD_MAKEVAR_PREFIX = #--------------------------------------------------------------------------- # Configuration options related to the preprocessor @@ -1158,14 +1158,14 @@ SEARCH_INCLUDES = YES # contain include files that are not input files but should be processed by # the preprocessor. -INCLUDE_PATH = +INCLUDE_PATH = # You can use the INCLUDE_FILE_PATTERNS tag to specify one or more wildcard # patterns (like *.h and *.hpp) to filter out the header-files in the # directories. If left blank, the patterns specified with FILE_PATTERNS will # be used. -INCLUDE_FILE_PATTERNS = +INCLUDE_FILE_PATTERNS = # The PREDEFINED tag can be used to specify one or more macro names that # are defined before the preprocessor is started (similar to the -D option of @@ -1175,14 +1175,14 @@ INCLUDE_FILE_PATTERNS = # undefined via #undef or recursively expanded use the := operator # instead of the = operator. -PREDEFINED = +PREDEFINED = # If the MACRO_EXPANSION and EXPAND_ONLY_PREDEF tags are set to YES then # this tag can be used to specify a list of macro names that should be expanded. # The macro definition that is found in the sources will be used. # Use the PREDEFINED tag if you want to use a different macro definition. -EXPAND_AS_DEFINED = +EXPAND_AS_DEFINED = # If the SKIP_FUNCTION_MACROS tag is set to YES (the default) then # doxygen's preprocessor will remove all function-like macros that are alone @@ -1213,12 +1213,12 @@ SKIP_FUNCTION_MACROS = YES # If a tag file is not located in the directory in which doxygen # is run, you must also specify the path to the tagfile here. -TAGFILES = +TAGFILES = # When a file name is specified after GENERATE_TAGFILE, doxygen will create # a tag file that is based on the input files it reads. -GENERATE_TAGFILE = +GENERATE_TAGFILE = # If the ALLEXTERNALS tag is set to YES all external classes will be listed # in the class index. If set to NO only the inherited external classes @@ -1257,7 +1257,7 @@ CLASS_DIAGRAMS = YES # the mscgen tool resides. If left empty the tool is assumed to be found in the # default search path. -MSCGEN_PATH = +MSCGEN_PATH = # If set to YES, the inheritance and collaboration graphs will hide # inheritance and usage relations if the target is undocumented @@ -1293,7 +1293,7 @@ DOT_FONTSIZE = 10 # different font using DOT_FONTNAME you can set the path where dot # can find it using this tag. -DOT_FONTPATH = +DOT_FONTPATH = # If the CLASS_GRAPH and HAVE_DOT tags are set to YES then doxygen # will generate a graph for each documented class showing the direct and @@ -1376,13 +1376,13 @@ DOT_IMAGE_FORMAT = png # The tag DOT_PATH can be used to specify the path where the dot tool can be # found. If left blank, it is assumed the dot tool can be found in the path. -DOT_PATH = +DOT_PATH = # The DOTFILE_DIRS tag can be used to specify one or more directories that # contain dot files that are included in the documentation (see the # \dotfile command). -DOTFILE_DIRS = +DOTFILE_DIRS = # The DOT_GRAPH_MAX_NODES tag can be used to set the maximum number of # nodes that will be shown in the graph. If the number of nodes in a graph From 14848710fda395cdcbf9da27861335491e3ff043 Mon Sep 17 00:00:00 2001 From: LucaDemo Date: Sun, 2 Aug 2015 23:20:40 +0200 Subject: [PATCH 22/25] - Changes to method names --- Mobi/Sources/MobiMethods.h | 2 +- Mobi/Sources/MobiProtein.cc | 8 +++++++ Mobi/Sources/MobiProtein.h | 11 +++++++-- Mobi/Sources/MobiUtils.h | 38 ++----------------------------- Mobi/Sources/VectorCollection.h | 2 +- Mobi/Tests/TestMobi.cc | 6 ++--- Mobi/Tests/TestMobiMethods.h | 21 +++++++++++++++-- Mobi/Tests/TestMobiProtein.h | 2 ++ Mobi/Tests/TestVectorCollection.h | 29 ++++++++++++----------- 9 files changed, 61 insertions(+), 58 deletions(-) diff --git a/Mobi/Sources/MobiMethods.h b/Mobi/Sources/MobiMethods.h index e138ff1..c15fc65 100644 --- a/Mobi/Sources/MobiMethods.h +++ b/Mobi/Sources/MobiMethods.h @@ -242,7 +242,7 @@ class MobiMethods{ const VectorCollection& getPsiAngles(){return psiAngles;} /** - * Return true if mobi calculation has been performed in this object. + * Return true if mobi calculation has been performed * @return true if mobi mobility is calculated, false otherwise */ bool isDone(){ diff --git a/Mobi/Sources/MobiProtein.cc b/Mobi/Sources/MobiProtein.cc index 258053e..27c8c66 100644 --- a/Mobi/Sources/MobiProtein.cc +++ b/Mobi/Sources/MobiProtein.cc @@ -56,3 +56,11 @@ vector MobiProtein::load(PdbLoader& pl){ Spacer* MobiProtein::getModel(unsigned int model){ return this->getSpacer(model); } + +Spacer* MobiProtein::getModelByPdbID(unsigned int model){ + for (unsigned int i = 0; i < modelsID.size(); i++) + if (model == modelsID[i]) + return this->getSpacer(i); + ERROR("The specified model (PDB id) is not loaded in this object",exception); + return 0; +} diff --git a/Mobi/Sources/MobiProtein.h b/Mobi/Sources/MobiProtein.h index edc9c7c..e9f7a7f 100644 --- a/Mobi/Sources/MobiProtein.h +++ b/Mobi/Sources/MobiProtein.h @@ -56,7 +56,7 @@ namespace Victor { namespace Mobi { /** * Get the specified model in this Protein. * @param model (unsigned int) the model internal id (not original Pdb model name) to get - * @return (Spacer&) the model + * @return the model */ Spacer* getModel(unsigned int model); @@ -72,7 +72,14 @@ namespace Victor { namespace Mobi { * Returns all original (as PDB) loaded modell ids. * @return vector containing original Pdb ids of loaded models. Vector index matches internal id. */ - const vector& getModelsID(){ return modelsID;} + const vector getModelsID(){ return modelsID;} + + /** + * Returns the the model by its pdb ID + * @param model (unsigned int) the model pdb id + * @return the model + */ + Spacer* getModelByPdbID(unsigned int model); private: bool verbose; diff --git a/Mobi/Sources/MobiUtils.h b/Mobi/Sources/MobiUtils.h index c2ac4cf..0d2848e 100644 --- a/Mobi/Sources/MobiUtils.h +++ b/Mobi/Sources/MobiUtils.h @@ -78,41 +78,7 @@ class MobiUtils{ } - /** - * Calculate the rmsd distance given two spacers. - * @param mod1 reference to first model (Spacer) - * @param mod2 reference to second model (Spacer) - * @param atom atom to base distance calcutation on, default atom if not specified (CA) - * @return RMSD value - */ - static double rmsd(Spacer* mod1, Spacer* mod2, AtomCode atom){ - if (mod2->size() != mod1->size()) - ERROR("Reference protein spacer has a different number of Aminos",exception); - double rmsd = 0; - for (unsigned int i = 0; i < mod2->size(); i++){ //foreach Amino - if (mod2->getAmino(i).getType() != mod1->getAmino(i).getType()) - ERROR("Aminos order in the two sequences is not the same",exception); - Atom& mAtom = mod1->getAmino(i).getAtom(atom); - Atom& refAtom = mod2->getAmino(i).getAtom(atom); - - rmsd += (mAtom.getCoords() - refAtom.getCoords()).square(); - } - rmsd = sqrt(rmsd / mod2->size()); - return rmsd; - } - /** - * Calculate the rmsd distance given a distance vector. - * @param distance distance vector - * @return (double) RMSD value - */ - static double rmsd(vector& distance){ - double rmsd = 0; - for (unsigned int i = 0; i < distance.size(); i++) //foreach Amino - rmsd += distance[i] * distance[i]; - rmsd = sqrt(rmsd / distance.size()); - return rmsd; - } /** * Sort models from the most representative to the least one.\n @@ -233,7 +199,7 @@ class MobiUtils{ output << "REMARK 1 Victor Mobi Mobility PDB output\n"; output << "REMARK 1 Occupancy field has been replaced by scaled distance deviations\n"; - output << "REMARK 1 B-Factor field has been replaced by average scaled distance\n"; + output << "REMARK 1 T-Factor field has been replaced by average scaled distance\n"; for (unsigned int m = 0; m < order.size(); m++){ //Foreach model output << "MODEL " << prot->getModelsID()[order[m]] << "\n"; int aminoOffset = 0; //prot->getModel(m)->getStartOffset(); @@ -275,7 +241,7 @@ class MobiUtils{ vector dev = score.getSDDevs(); vector phi = score.getPhiAngles().mean(); vector psi = score.getPsiAngles().mean(); - vector rmsd = score.getDistances().residueRMSD(); + vector rmsd = score.getDistances().mobilityIndex(); vector mobi = score.getMobiMobility(); if (output == cout) output << "Mobi Mobility Score" << endl; diff --git a/Mobi/Sources/VectorCollection.h b/Mobi/Sources/VectorCollection.h index 14a39e8..14d964a 100644 --- a/Mobi/Sources/VectorCollection.h +++ b/Mobi/Sources/VectorCollection.h @@ -230,7 +230,7 @@ class VectorCollection{ } - vector residueRMSD() const{ + vector mobilityIndex() const{ vector rmsd(vectorsSize(),0); for (typename std::map >::const_iterator it = this->results->begin(); it != this->results->end(); ++it) //foreach distance record diff --git a/Mobi/Tests/TestMobi.cc b/Mobi/Tests/TestMobi.cc index 58dae9b..07c6091 100644 --- a/Mobi/Tests/TestMobi.cc +++ b/Mobi/Tests/TestMobi.cc @@ -35,12 +35,12 @@ int main() { cout << "Creating Test Suites:" << endl; -// runner.addTest(TestVectorCollection::suite()); + runner.addTest(TestVectorCollection::suite()); // runner.addTest(TestMobiProtein::suite()); // runner.addTest(TestTM::suite()); - runner.addTest(TestMobiMethods::suite()); +// runner.addTest(TestMobiMethods::suite()); // runner.addTest(MadTests::suite()); - cout<< "Running the unit tests." << endl; + cout<< "Running the unit tests. " << endl; runner.run(); return 0; diff --git a/Mobi/Tests/TestMobiMethods.h b/Mobi/Tests/TestMobiMethods.h index 91bec77..692ffc0 100644 --- a/Mobi/Tests/TestMobiMethods.h +++ b/Mobi/Tests/TestMobiMethods.h @@ -31,6 +31,7 @@ #include #include #include +#include using namespace std; using namespace Victor::Mobi; @@ -55,8 +56,8 @@ class TestMobiMethods : public CppUnit::TestFixture { suiteOfTests->addTest(new CppUnit::TestCaller("Test3 - Filters", &TestMobiMethods::testFilters)); - suiteOfTests->addTest(new CppUnit::TestCaller("Test4 - Complete Mobi test", - &TestMobiMethods::testMobiMobility)); +// suiteOfTests->addTest(new CppUnit::TestCaller("Test4 - Complete Mobi test", +// &TestMobiMethods::testMobiMobility)); return suiteOfTests; @@ -98,6 +99,22 @@ class TestMobiMethods : public CppUnit::TestFixture { vector sd = sDist.mean(); vector sdsd = sDist.stdDev(); CPPUNIT_ASSERT(sd[0] > 0.106 && sd[0] < 0.107); + +// cout << "isDone()" << mm.isDone() << endl; +// vector mobilityTrack = mm.mobiMobility(prot,tm); +// cout << "isDone()" << mm.isDone() << endl; +// VectorCollection scDist = mm.getScaledDistances(); +// vector scDistVals = scDist.mean(); +// vector track0 = mm.getPsiMobility(); +// for (unsigned int i = 0; i < track0.size(); i++) +// cout << track0[i]; +// cout << endl; +// VectorCollection psiAngles; +// MobiMethods::psis(prot,psiAngles); +// vector psiDevs = psiAngles.stdDev(); +// for (unsigned int i = 0; i < psiDevs.size(); i++) +// cout << (psiDevs[i] > 20 ? 1 : 0); +// cout << endl; } diff --git a/Mobi/Tests/TestMobiProtein.h b/Mobi/Tests/TestMobiProtein.h index 7322100..3af2c3c 100644 --- a/Mobi/Tests/TestMobiProtein.h +++ b/Mobi/Tests/TestMobiProtein.h @@ -77,5 +77,7 @@ class TestMobiProtein : public CppUnit::TestFixture { CPPUNIT_ASSERT(m1->getAmino(0).getType() == "GLY"); CPPUNIT_ASSERT(m2->getAmino(1).getType() == "SER"); CPPUNIT_ASSERT(m3->getAmino(2).getType() == "GLY"); + Spacer* m4 = prot.getModelByPdbID(8); + CPPUNIT_ASSERT(m4 == m3); } }; diff --git a/Mobi/Tests/TestVectorCollection.h b/Mobi/Tests/TestVectorCollection.h index 8ab7c45..a9fd66a 100644 --- a/Mobi/Tests/TestVectorCollection.h +++ b/Mobi/Tests/TestVectorCollection.h @@ -43,17 +43,17 @@ class TestVectorCollection : public CppUnit::TestFixture { static CppUnit::Test *suite() { CppUnit::TestSuite *suiteOfTests = new CppUnit::TestSuite("TestVectorCollection"); -// suiteOfTests->addTest(new CppUnit::TestCaller("Test1 - Populate the collection", -// &TestVectorCollection::testPopulation)); -// -// suiteOfTests->addTest(new CppUnit::TestCaller("Test2 - Calculate means", -// &TestVectorCollection::testMeanSD)); -// -// suiteOfTests->addTest(new CppUnit::TestCaller("Test3 - Calculate standard deviation", -// &TestVectorCollection::testSD)); + suiteOfTests->addTest(new CppUnit::TestCaller("Test1 - Populate the collection", + &TestVectorCollection::testPopulation)); + + suiteOfTests->addTest(new CppUnit::TestCaller("Test2 - Calculate means", + &TestVectorCollection::testMeanSD)); suiteOfTests->addTest(new CppUnit::TestCaller("Test3 - Calculate standard deviation", - &TestVectorCollection::testRMSD)); + &TestVectorCollection::testSD)); + + suiteOfTests->addTest(new CppUnit::TestCaller("Test4 - Calculate mobility index", + &TestVectorCollection::testMobilityIndex)); return suiteOfTests; } @@ -79,6 +79,9 @@ class TestVectorCollection : public CppUnit::TestFixture { vector ids = sdr.getModels(); CPPUNIT_ASSERT(ids.size() == 6); + + CPPUNIT_ASSERT(sdr.getValuesByModel(4).size() == 2); + CPPUNIT_ASSERT(sdr.getValuesByModel(1).size() == 1); } void testMeanSD(){ @@ -99,12 +102,12 @@ class TestVectorCollection : public CppUnit::TestFixture { CPPUNIT_ASSERT(sd[i] = sqrt(2)); } - void testRMSD(){ + void testMobilityIndex(){ + cout << endl << ">>>\tTestVectorCollection >>> test mobility index..." << endl; VectorCollection sdr = VectorCollection(); fillWith5Results10(sdr); - vector sd = sdr.residueRMSD(); - for (unsigned int i = 0; i < sd.size(); i++) - cout << sd[i] << endl; + vector sd = sdr.mobilityIndex(); + CPPUNIT_ASSERT(sd[0] > 2.44 && sd[0] < 2.45); } private: From 0c9a9f512d4c7376ce8a1d1fb268c4989e63ac6a Mon Sep 17 00:00:00 2001 From: LucaDemo Date: Tue, 4 Aug 2015 17:47:26 +0200 Subject: [PATCH 23/25] - cleanup - changes to TMScore - tests --- Mobi/Sources/MobiMethods.cc | 2 +- Mobi/Sources/MobiProtein.h | 2 +- Mobi/Sources/MobiUtils.h | 13 ++++++++++--- Mobi/Sources/TMScoreBin.cc | 25 ++++++++++++------------- Mobi/Sources/TMScoreBin.h | 26 ++++++++++++-------------- Mobi/Sources/TMScoreBinder.h | 14 +++++++------- Mobi/Tests/TestMobi.cc | 6 +++--- Mobi/Tests/TestTM.h | 3 +-- 8 files changed, 47 insertions(+), 44 deletions(-) diff --git a/Mobi/Sources/MobiMethods.cc b/Mobi/Sources/MobiMethods.cc index 0cd1f40..1aae25f 100644 --- a/Mobi/Sources/MobiMethods.cc +++ b/Mobi/Sources/MobiMethods.cc @@ -55,7 +55,7 @@ void MobiMethods::distances(MobiProtein* protein, TMScoreBinder* tm, VectorColle //Perform superimposition for every model pair for (unsigned int i = 0; i < protein->size(); i++) for (unsigned int j = i+1; j < protein->size(); j++){ - tm->TMScore(*protein,i,j,&imposed); + imposed = tm->TMScore(*protein,i,j); tmpDist = scaledDistance(imposed->getModel(0),protein->getModel(j), mm.getAtom(), mm.getD0()); scaledDist.addValue(i,j, tmpDist); tmpDist = distance(imposed->getModel(0),protein->getModel(j), mm.getAtom()); diff --git a/Mobi/Sources/MobiProtein.h b/Mobi/Sources/MobiProtein.h index e9f7a7f..28470d8 100644 --- a/Mobi/Sources/MobiProtein.h +++ b/Mobi/Sources/MobiProtein.h @@ -75,7 +75,7 @@ namespace Victor { namespace Mobi { const vector getModelsID(){ return modelsID;} /** - * Returns the the model by its pdb ID + * Returns the the model by its original pdb ID * @param model (unsigned int) the model pdb id * @return the model */ diff --git a/Mobi/Sources/MobiUtils.h b/Mobi/Sources/MobiUtils.h index 0d2848e..b3c2de7 100644 --- a/Mobi/Sources/MobiUtils.h +++ b/Mobi/Sources/MobiUtils.h @@ -78,8 +78,6 @@ class MobiUtils{ } - - /** * Sort models from the most representative to the least one.\n * Models are searched using in the protein provided by applying superimposition and calculatin all the RMSD between model pairs. @@ -150,6 +148,8 @@ class MobiUtils{ * @param output reference to output stream, default is cout */ static void printFastaFile(MobiMethods& mobi, ostream& output = cout){ + if (!mobi.isDone()) + ERROR("Cannot save score of a non-done MobiMethod object",exception); if (output == cout){ //if output is cout, add more informations output << "Victor Mobi Mobility results." << endl; output << "d0 scaling value \t\td0 = " << mobi.getD0() << endl; @@ -234,8 +234,15 @@ class MobiUtils{ } - + /** + * Saves mobility scores. + * @param score MobiMethod object with calculated mobility + * @param chain char value for chain name + * @param output output stream, default is cout + */ static void saveScore(MobiMethods& score, char chain, ostream& output = cout){ + if (!score.isDone()) + ERROR("Cannot save score of a non-done MobiMethod object",exception); vector seq = score.getSequence(); vector avg = score.getSDMeans(); vector dev = score.getSDDevs(); diff --git a/Mobi/Sources/TMScoreBin.cc b/Mobi/Sources/TMScoreBin.cc index 5a3b01e..53aa3a4 100644 --- a/Mobi/Sources/TMScoreBin.cc +++ b/Mobi/Sources/TMScoreBin.cc @@ -36,7 +36,6 @@ using namespace Victor::Mobi; using namespace Victor::Biopool; using namespace std; - const string TMTMP_IN1 = "tmin1.pdb.tmp"; const string TMTMP_IN2 = "tmin2.pdb.tmp"; const string TMTMP_OUT = "tmout.pdb.tmp"; @@ -47,10 +46,10 @@ const string TMTMP_OUT = "tmout.pdb.tmp"; * @param pdbFile (string) full path to TMScore output * @param imposedModel (ProteinModel**) double pointer of type PRoteinModel, as output */ -void spacerFromTMOutput(string pdbFile, MobiProtein** imposedModel); +MobiProtein* spacerFromTMOutput(string pdbFile); -double TMScoreBin::TMScore(MobiProtein& prot1, unsigned int model1, MobiProtein& prot2, unsigned int model2, MobiProtein** imposedModel){ +MobiProtein* TMScoreBin::TMScore(MobiProtein& prot1, unsigned int model1, MobiProtein& prot2, unsigned int model2){ if (verbose) @@ -68,14 +67,14 @@ double TMScoreBin::TMScore(MobiProtein& prot1, unsigned int model1, MobiProtein& ps.endFile(); fout.close(); //Call TMScore binary - return TMScore((tmp + TMTMP_IN1), (tmp + TMTMP_IN2), imposedModel); + return TMScore((tmp + TMTMP_IN1), (tmp + TMTMP_IN2)); } -double TMScoreBin::TMScore(MobiProtein& prot, unsigned int model1, unsigned int model2, MobiProtein** imposedModel){ - return TMScore(prot,model1,prot,model2,imposedModel); +MobiProtein* TMScoreBin::TMScore(MobiProtein& prot, unsigned int model1, unsigned int model2){ + return TMScore(prot,model1,prot,model2); } -double TMScoreBin::TMScore(string model1, string model2, MobiProtein** imposedModel){ +MobiProtein* TMScoreBin::TMScore(string model1, string model2){ double score = -1; if (access(model1.c_str(), R_OK) == 0 && access(model2.c_str(), R_OK) == 0){ @@ -123,11 +122,11 @@ double TMScoreBin::TMScore(string model1, string model2, MobiProtein** imposedMo else ERROR("No access to pdb files " + model1 + " or " + model2, exception); - spacerFromTMOutput(tmp + TMTMP_OUT + "_atm", imposedModel); - return score; + return spacerFromTMOutput(tmp + TMTMP_OUT + "_atm"); + //return score; } -void spacerFromTMOutput(string pdbFile, MobiProtein** imposedModel){ +MobiProtein* spacerFromTMOutput(string pdbFile){ if (access(pdbFile.c_str(), R_OK) != 0) ERROR("Cannot read pdb file to fix",exception); @@ -154,10 +153,10 @@ void spacerFromTMOutput(string pdbFile, MobiProtein** imposedModel){ PdbLoader pl(buffer); pl.setNoVerbose(); //Load and return protein object - *imposedModel = new MobiProtein(); + MobiProtein *protein = new MobiProtein(); pl.setModel(1); - cout.flush(); - pl.loadProtein(**imposedModel); + pl.loadProtein(*protein); + return protein; } void TMScoreBin::cleanup(){ diff --git a/Mobi/Sources/TMScoreBin.h b/Mobi/Sources/TMScoreBin.h index 6624377..63bd32e 100644 --- a/Mobi/Sources/TMScoreBin.h +++ b/Mobi/Sources/TMScoreBin.h @@ -59,37 +59,35 @@ namespace Victor { namespace Mobi { /** * @brief Given two pdb files containing each a model of the same protein, * call TMScore binary to superimpose the first over the second. The superimposed (rotated/traslated) - * model is then loaded in a MobiProtein using the double pointer provided. + * model is then loaded in a MobiProtein and a pointer is returned. * @param model1 full path to model#1 file * @param model2 full path to model#2 file - * @param imposedModel output - * @return TMScore + * @return MobiProtein reference containing the super imposed model */ - virtual double TMScore(string model1, string model2, MobiProtein** imposedModel); + virtual MobiProtein* TMScore(string model1, string model2); /** * @brief Given a ProteinModel call TMScore binary to superimpose two models contained in it. - * The superimposed (rotated/traslated) model is then loaded in a ProteinModel using the double pointer provided. + * The superimposed (rotated/traslated)model is then loaded in a MobiProtein and a pointer is returned. * @param prot reference to MobiProtein object - * @param model1 model#1 name in MobiProtein object - * @param model2 model#2 name in MobiProtein object + * @param model1 model#1 index in MobiProtein object + * @param model2 model#2 index in MobiProtein object * @param imposedModel output - * @return (double) TMScore + * @return MobiProtein reference containing the super imposed model */ - virtual double TMScore(MobiProtein& prot, unsigned int model1, unsigned int model2, MobiProtein** imposedModel); + virtual MobiProtein* TMScore(MobiProtein& prot, unsigned int model1, unsigned int model2); /** * @brief Superimposition of two models through call to TMScore binary - * The superimposed (rotated/traslated) model is then loaded in a ProteinModel using the double pointer provided. + * The superimposed (rotated/traslated)model is then loaded in a MobiProtein and a pointer is returned. * @param prot1 reference to the fist ProteinModel * @param model1 model#1 name in the first ProteinModel object * @param prot2 reference to the second ProteinModel * @param model2 model#2 name in the second ProteinModel object - * @param imposedModel output - * @return (double) TMScore + * @return MobiProtein reference containing the super imposed model */ - virtual double TMScore(MobiProtein& prot1, unsigned int model1, MobiProtein& prot2, unsigned int model2, MobiProtein** imposedModel); + virtual MobiProtein* TMScore(MobiProtein& prot1, unsigned int model1, MobiProtein& prot2, unsigned int model2); /** @@ -102,7 +100,7 @@ namespace Victor { namespace Mobi { } /** - * Cleans temporary files + * Delete temporary files */ void cleanup(); diff --git a/Mobi/Sources/TMScoreBinder.h b/Mobi/Sources/TMScoreBinder.h index 3ad7f89..058c681 100644 --- a/Mobi/Sources/TMScoreBinder.h +++ b/Mobi/Sources/TMScoreBinder.h @@ -30,34 +30,34 @@ using namespace Victor::Mobi; namespace Victor { namespace Mobi { /** * @brief base class that represent a binder to TMScore functionalities.\n - * Class that extends TMScoreBinder must provide reimplementation for methods + * Class that extends TMScoreBinder must provide reimplementation for virtual methods and can be used in Mobi as Interfaces to TMScore imposition */ class TMScoreBinder{ public: /** * @brief Given a MobiProtein superimpose two models contained in it. - * The superimposed (rotated/traslated) model is then loaded in a ProteinModel using the double pointer provided. + * The superimposed (rotated/traslated) model is then loaded in the heap and pointer is returned. * @param prot (MobiProtein&) reference to ProteinModel object * @param model1 (unsigned int) model#1 name in ProteinModel object * @param model2 (unsigned int) model#2 name in ProteinModel object - * @param imposedModel (MobiProtein**) double pointer of type ProteinModel, as output + * @return MobiProtein reference containing the super imposed model */ - virtual double TMScore(MobiProtein& prot, unsigned int model1, unsigned int model2, MobiProtein** imposedModel){ + virtual MobiProtein* TMScore(MobiProtein& prot, unsigned int model1, unsigned int model2){ ERROR("Unimplemented Method TMImpose(ProteinModel&, uint, uint, ProteinModel**)!",exception); return 0; } /** * @brief Superimposition of two models - * The superimposed (rotated/traslated) model is then loaded in a ProteinModel using the double pointer provided. + * The superimposed (rotated/traslated) model is then loaded in the heap and pointer is returned. * @param prot1 (MobiProtein&) reference to the fist ProteinModel * @param model1 (unsigned int) model#1 name in the first ProteinModel object * @param prot2 (MobiProtein&) reference to the second ProteinModel * @param model2 (unsigned int) model#2 name in the second ProteinModel object - * @param imposedModel (MobiProtein**) double pointer of type ProteinModel, as output + * @return MobiProtein reference containing the super imposed model */ - virtual double TMScore(MobiProtein& prot1, unsigned int model1, MobiProtein& prot2, unsigned int model2, MobiProtein** imposedModel){ + virtual MobiProtein* TMScore(MobiProtein& prot1, unsigned int model1, MobiProtein& prot2, unsigned int model2){ ERROR("Unimplemented Method TMImpose (ProteinModel&, uint, ProteinModel&, uint, ProteinModel**)!",exception); return 0; } diff --git a/Mobi/Tests/TestMobi.cc b/Mobi/Tests/TestMobi.cc index 07c6091..13a7fce 100644 --- a/Mobi/Tests/TestMobi.cc +++ b/Mobi/Tests/TestMobi.cc @@ -36,9 +36,9 @@ int main() { cout << "Creating Test Suites:" << endl; runner.addTest(TestVectorCollection::suite()); -// runner.addTest(TestMobiProtein::suite()); -// runner.addTest(TestTM::suite()); -// runner.addTest(TestMobiMethods::suite()); + runner.addTest(TestMobiProtein::suite()); + runner.addTest(TestTM::suite()); + runner.addTest(TestMobiMethods::suite()); // runner.addTest(MadTests::suite()); cout<< "Running the unit tests. " << endl; diff --git a/Mobi/Tests/TestTM.h b/Mobi/Tests/TestTM.h index bb04aac..779fc85 100644 --- a/Mobi/Tests/TestTM.h +++ b/Mobi/Tests/TestTM.h @@ -78,8 +78,7 @@ class TestTM : public CppUnit::TestFixture { //calling TMScore bin TMScoreBin tmsb(TMDir+"TMScore", TMDir, false); - MobiProtein* superImposed; - tmsb.TMScore(prot,0,1,&superImposed); + MobiProtein* superImposed = tmsb.TMScore(prot,0,1); //save superimposed model to file From 577dee2ec5f4ccb62c28f9d52d302706d50580a5 Mon Sep 17 00:00:00 2001 From: LucaDemo Date: Sat, 8 Aug 2015 14:48:57 +0200 Subject: [PATCH 24/25] changes to vectorcollection --- Mobi/Sources/TMScoreBin.cc | 10 ++++- Mobi/Sources/TMScoreBin.h | 1 - Mobi/Sources/VectorCollection.h | 66 ++++++++++++++++----------------- Mobi/Tests/TestMobiMethods.h | 4 +- 4 files changed, 42 insertions(+), 39 deletions(-) diff --git a/Mobi/Sources/TMScoreBin.cc b/Mobi/Sources/TMScoreBin.cc index 53aa3a4..b36b3a4 100644 --- a/Mobi/Sources/TMScoreBin.cc +++ b/Mobi/Sources/TMScoreBin.cc @@ -36,15 +36,23 @@ using namespace Victor::Mobi; using namespace Victor::Biopool; using namespace std; +/** + * Temporary first model filename + */ const string TMTMP_IN1 = "tmin1.pdb.tmp"; +/** + * Temporary second model filename + */ const string TMTMP_IN2 = "tmin2.pdb.tmp"; +/** + * Temporary TMscore output pdb + */ const string TMTMP_OUT = "tmout.pdb.tmp"; /** * @brief the TMScore output is not pdb conformant. This static method read the output and fix it in a memory buffer. * Then loads a ProteinModel with the superimposed model only. * @param pdbFile (string) full path to TMScore output - * @param imposedModel (ProteinModel**) double pointer of type PRoteinModel, as output */ MobiProtein* spacerFromTMOutput(string pdbFile); diff --git a/Mobi/Sources/TMScoreBin.h b/Mobi/Sources/TMScoreBin.h index 63bd32e..e28acbe 100644 --- a/Mobi/Sources/TMScoreBin.h +++ b/Mobi/Sources/TMScoreBin.h @@ -72,7 +72,6 @@ namespace Victor { namespace Mobi { * @param prot reference to MobiProtein object * @param model1 model#1 index in MobiProtein object * @param model2 model#2 index in MobiProtein object - * @param imposedModel output * @return MobiProtein reference containing the super imposed model */ virtual MobiProtein* TMScore(MobiProtein& prot, unsigned int model1, unsigned int model2); diff --git a/Mobi/Sources/VectorCollection.h b/Mobi/Sources/VectorCollection.h index 14d964a..00b149f 100644 --- a/Mobi/Sources/VectorCollection.h +++ b/Mobi/Sources/VectorCollection.h @@ -41,10 +41,10 @@ namespace Victor { namespace Mobi { * for corresponding (same position) values in different vectors.\n * Internally, an id is assigned to each vector. You can specify your own id or use the provided id translator * so that, given two (ordered) id values (for example 2 models ids), a unique internal id is assigned to the id pair, - * then you can: - * \t- get a list of all the models who partecipate in this collection - * \t- get vectors related to a model given the model id - * \t- get the vector related to a model pair + * then you can:\n + * - get a list of all the models who partecipate in this collection\n + * - get vectors related to a model given the model id\n + * - get the vector related to a model pair\n * \b Attention : all vectors must have the same dimension, the first value added to the collection * determines the length of all vectors. You can clear the collection to reset this value. */ @@ -56,23 +56,15 @@ class VectorCollection{ * Default constructor */ VectorCollection(){ - this->results = new std::map >(); + this->results = std::map >(); this->safePairID = true; } - /** - * Destructor - */ - ~VectorCollection(){ - results->clear(); - delete results; - } - /** * Clear the collection deleting all elements in it */ void clear(){ - results->clear(); + results.clear(); safePairID = true; } @@ -81,11 +73,11 @@ class VectorCollection{ * @param id (int) values id * @param result (vector&) vector of values */ - void addValue(int id, std::vector& result){ + void addValue(int id, const std::vector& result){ if (size() > 0) if (result.size() != vectorsSize()) ERROR("Trying to add a result of non compatible size",exception); - results->insert(std::make_pair(id,result)); + results.insert(std::make_pair(id,result)); safePairID = false; } @@ -95,11 +87,11 @@ class VectorCollection{ * @param m2 (int) second model id * @param result (vector&) vector of values */ - void addValue(int m1, int m2, std::vector& result){ + void addValue(int m1, int m2, const std::vector& result){ if (size() > 0) if (result.size() != vectorsSize()) ERROR("Trying to add a result of non compatible size",exception); - results->insert(std::make_pair(VectorCollection::id(m1,m2),result)); + results.insert(std::make_pair(VectorCollection::id(m1,m2),result)); } /** @@ -108,8 +100,8 @@ class VectorCollection{ * @return (vector&) values, if found */ vector getValue(int id){ - typename std::map >::const_iterator it = this->results->find(id); - if (it != this->results->end()) + typename std::map >::const_iterator it = this->results.find(id); + if (it != this->results.end()) return it->second; else ERROR("Unable to find values with given id",exception); @@ -124,7 +116,7 @@ class VectorCollection{ if (!safePairID) cout << "[VectorCollection] getModels() Warning: vectors has been added with CUSTOM ids!"; vector models; - for (typename std::map >::const_iterator it = this->results->begin(); it != this->results->end(); ++it){ + for (typename std::map >::const_iterator it = this->results.begin(); it != this->results.end(); ++it){ if (std::find(models.begin(), models.end(), VectorCollection::modelsFromID(it->first)[0]) == models.end()) models.push_back(VectorCollection::modelsFromID(it->first)[0]); if (std::find(models.begin(), models.end(), VectorCollection::modelsFromID(it->first)[1]) == models.end()) @@ -142,8 +134,9 @@ class VectorCollection{ if (!safePairID) cout << "[VectorCollection] getValuesByModel() Warning: vectors has been added with CUSTOM ids!"; VectorCollection outVC; - typename std::map >::iterator it = this->results->begin(); - while (it != this->results->end()){ + typename std::map >::const_iterator it = this->results.begin(); + + while (it != this->results.end()){ if (it->first / delimiter == model) outVC.addValue(it->first, it->second); else @@ -161,7 +154,7 @@ class VectorCollection{ unsigned int vectorsSize() const{ if (size() < 1) ERROR("Cannot get model lenght, since there are no models in this SDResult object",exception); - return this->results->begin()->second.size(); + return this->results.begin()->second.size(); } /** @@ -169,7 +162,7 @@ class VectorCollection{ * @return (unsigned int) size */ unsigned int size() const{ - return this->results->size(); + return this->results.size(); } /** @@ -177,7 +170,7 @@ class VectorCollection{ * @return (map:: >) iterator */ typename std::map >::const_iterator iterator(){ - return this->results->begin(); + return this->results.begin(); } /** @@ -187,7 +180,7 @@ class VectorCollection{ vector mean() const{ vector mean = vector(this->vectorsSize(),0.0); typename std::map >::const_iterator it; - for (it = this->results->begin(); it != this->results->end(); ++it) + for (it = this->results.begin(); it != this->results.end(); ++it) for (unsigned int a = 0; a < this->vectorsSize(); a++) mean[a] += it->second[a]; for (unsigned int a = 0; a < this->vectorsSize(); a++) @@ -203,7 +196,7 @@ class VectorCollection{ vector mean = this->mean(); vector sd = vector(this->vectorsSize(),0.0); typename std::map >::const_iterator it; - for (it = this->results->begin(); it != this->results->end(); ++it) //foreach distance record + for (it = this->results.begin(); it != this->results.end(); ++it) //foreach distance record for (unsigned int a = 0; a < this->vectorsSize(); a++) //foreach residue sd[a] += pow(it->second[a] - mean[a],2); //cumulate the 2pow of distance minus mean for (unsigned int a = 0; a < this->vectorsSize(); a++) @@ -219,21 +212,24 @@ class VectorCollection{ V rmsd = 0; V singleRmsd; typename std::map >::const_iterator it; - for (it = this->results->begin(); it != this->results->end(); ++it){ //foreach distance record + for (it = this->results.begin(); it != this->results.end(); ++it){ //foreach distance record singleRmsd = 0; for (unsigned int i = 0; i < this->vectorsSize(); i++) //foreach residue singleRmsd += pow(it->second[i],2); //cumulate the 2pow of distance singleRmsd = sqrt(singleRmsd / this->vectorsSize()); rmsd += singleRmsd; } - return (rmsd / results->size()); + return (rmsd / results.size()); } - + /** + * Mobility index given this collection of distance vectors. + * @return vector containing mobility indexes per residue + */ vector mobilityIndex() const{ vector rmsd(vectorsSize(),0); - for (typename std::map >::const_iterator it = this->results->begin(); - it != this->results->end(); ++it) //foreach distance record + for (typename std::map >::const_iterator it = this->results.begin(); + it != this->results.end(); ++it) //foreach distance record for (unsigned int i = 0; i < this->vectorsSize(); i++){ //foreach residue rmsd[i] += (pow(it->second[i],2) / size()); //cumulate the 2pow of distance // if (i == 0) @@ -250,7 +246,7 @@ class VectorCollection{ */ void print(){ typename std::map >::iterator it; - for (it = this->results->begin(); it != this->results->end(); ++it) + for (it = this->results.begin(); it != this->results.end(); ++it) cout << it->first << " => [" << it->second[0] << "," << it->second[1] << ", ...]" << endl; } @@ -289,7 +285,7 @@ class VectorCollection{ /** * Map container for the collection */ - std::map > *results; + std::map > results; }; diff --git a/Mobi/Tests/TestMobiMethods.h b/Mobi/Tests/TestMobiMethods.h index 692ffc0..6659011 100644 --- a/Mobi/Tests/TestMobiMethods.h +++ b/Mobi/Tests/TestMobiMethods.h @@ -56,8 +56,8 @@ class TestMobiMethods : public CppUnit::TestFixture { suiteOfTests->addTest(new CppUnit::TestCaller("Test3 - Filters", &TestMobiMethods::testFilters)); -// suiteOfTests->addTest(new CppUnit::TestCaller("Test4 - Complete Mobi test", -// &TestMobiMethods::testMobiMobility)); + suiteOfTests->addTest(new CppUnit::TestCaller("Test4 - Complete Mobi test", + &TestMobiMethods::testMobiMobility)); return suiteOfTests; From f28c25e16521f0361e822c1913eae50a2f80629a Mon Sep 17 00:00:00 2001 From: LucaDemo Date: Mon, 10 Aug 2015 17:40:05 +0200 Subject: [PATCH 25/25] moved mobilityindex from vectorcollection to mobimethods, pull version 1 --- Mobi/Sources/MobiMethods.cc | 11 +++++++++++ Mobi/Sources/MobiMethods.h | 16 ++++++++++++++++ Mobi/Sources/MobiUtils.h | 4 ++-- Mobi/Sources/VectorCollection.h | 31 ++++++++++--------------------- Mobi/Tests/TestVectorCollection.h | 5 +++-- 5 files changed, 42 insertions(+), 25 deletions(-) diff --git a/Mobi/Sources/MobiMethods.cc b/Mobi/Sources/MobiMethods.cc index 1aae25f..129fd00 100644 --- a/Mobi/Sources/MobiMethods.cc +++ b/Mobi/Sources/MobiMethods.cc @@ -170,6 +170,17 @@ vector MobiMethods::secondaryMobi(MobiProtein* protein){ } +vector MobiMethods::mobilityIndex(VectorCollection& distances){ + vector mi(distances.vectorsSize(),0); + for (typename std::map >::const_iterator it = distances.begin(); it != distances.end(); ++it) //foreach distance record + for (unsigned int i = 0; i < distances.vectorsSize(); i++) //foreach residue + mi[i] += (pow(it->second[i],2) / distances.size()); //cumulate the 2pow of distance + for (unsigned int i = 0; i < mi.size(); i++) + mi[i] = sqrt(mi[i]); + return mi; +} + + vector MobiMethods::mobiMobility(MobiProtein* protein, TMScoreBinder* tm){ done = false; diff --git a/Mobi/Sources/MobiMethods.h b/Mobi/Sources/MobiMethods.h index c15fc65..46ede16 100644 --- a/Mobi/Sources/MobiMethods.h +++ b/Mobi/Sources/MobiMethods.h @@ -114,6 +114,22 @@ class MobiMethods{ */ static vector secondaryMobi(MobiProtein* protein); + + /** + * Returns mobility indexes per residue. Static method + * @param distances vectorCollection ("simple" distances) + * @return vector with mobility indexes + */ + static vector mobilityIndex(VectorCollection& distances); + + /** + * Return mobility indexes per residue + * @return vector with mobility indexes + */ + vector mobilityIndex(){ + return MobiMethods::mobilityIndex(dist); + } + /** * Performs mobility calculation * @param protein pointer to the protein to process diff --git a/Mobi/Sources/MobiUtils.h b/Mobi/Sources/MobiUtils.h index b3c2de7..b27da6b 100644 --- a/Mobi/Sources/MobiUtils.h +++ b/Mobi/Sources/MobiUtils.h @@ -248,7 +248,7 @@ class MobiUtils{ vector dev = score.getSDDevs(); vector phi = score.getPhiAngles().mean(); vector psi = score.getPsiAngles().mean(); - vector rmsd = score.getDistances().mobilityIndex(); + vector mi = score.mobilityIndex(); vector mobi = score.getMobiMobility(); if (output == cout) output << "Mobi Mobility Score" << endl; @@ -258,7 +258,7 @@ class MobiUtils{ << setw(6) << fixed << setprecision(2) << dev[i] << "\t" << setw(6) << fixed << setprecision(2) << phi[i] << "\t" << setw(6) << fixed << setprecision(2) << psi[i] << "\t" - << setw(6) << fixed << setprecision(2) << rmsd[i] << endl; + << setw(6) << fixed << setprecision(2) << mi[i] << endl; } } }; diff --git a/Mobi/Sources/VectorCollection.h b/Mobi/Sources/VectorCollection.h index 00b149f..e80155e 100644 --- a/Mobi/Sources/VectorCollection.h +++ b/Mobi/Sources/VectorCollection.h @@ -166,13 +166,21 @@ class VectorCollection{ } /** - * Read-Only Iterator to this collection + * Read-Only Iterator to this collection, begin value * @return (map:: >) iterator */ - typename std::map >::const_iterator iterator(){ + typename std::map >::const_iterator begin() const{ return this->results.begin(); } + /** + * Read-Only Iterator to this collection, end value + * @return (map:: >) iterator + */ + typename std::map >::const_iterator end() const{ + return this->results.end(); + } + /** * Calculates the means of values in same position in the vectors * @return (vector) means @@ -222,25 +230,6 @@ class VectorCollection{ return (rmsd / results.size()); } - /** - * Mobility index given this collection of distance vectors. - * @return vector containing mobility indexes per residue - */ - vector mobilityIndex() const{ - vector rmsd(vectorsSize(),0); - for (typename std::map >::const_iterator it = this->results.begin(); - it != this->results.end(); ++it) //foreach distance record - for (unsigned int i = 0; i < this->vectorsSize(); i++){ //foreach residue - rmsd[i] += (pow(it->second[i],2) / size()); //cumulate the 2pow of distance -// if (i == 0) -// cout << ">>>" << it->second[i] << endl; - } - for (unsigned int i = 0; i < rmsd.size(); i++) - rmsd[i] = sqrt(rmsd[i]); - - return rmsd; - } - /** * Short output... debug purpouses */ diff --git a/Mobi/Tests/TestVectorCollection.h b/Mobi/Tests/TestVectorCollection.h index a9fd66a..1e81291 100644 --- a/Mobi/Tests/TestVectorCollection.h +++ b/Mobi/Tests/TestVectorCollection.h @@ -27,6 +27,7 @@ #include #include +#include #include "../Sources/VectorCollection.h" using namespace std; @@ -70,7 +71,7 @@ class TestVectorCollection : public CppUnit::TestFixture { fillWith5Results10(sdr); CPPUNIT_ASSERT(sdr.size() == 5); CPPUNIT_ASSERT(sdr.vectorsSize() == 10); - std::map >::const_iterator it = sdr.iterator(); + std::map >::const_iterator it = sdr.begin(); CPPUNIT_ASSERT(it->second[5] == 5); it++; CPPUNIT_ASSERT(it->second[5] == 6); @@ -106,7 +107,7 @@ class TestVectorCollection : public CppUnit::TestFixture { cout << endl << ">>>\tTestVectorCollection >>> test mobility index..." << endl; VectorCollection sdr = VectorCollection(); fillWith5Results10(sdr); - vector sd = sdr.mobilityIndex(); + vector sd = MobiMethods::mobilityIndex(sdr); CPPUNIT_ASSERT(sd[0] > 2.44 && sd[0] < 2.45); }