diff --git a/.travis.yml b/.travis.yml index df47f281de..61c9671867 100644 --- a/.travis.yml +++ b/.travis.yml @@ -29,7 +29,7 @@ matrix: - { os: linux, env: COMPILER=gnu USE_CMAKE=0 BUILD_FLAGS="-mpi" DO_PARALLEL="mpiexec -n 2" BUILD_TYPE=install TEST_TYPE=test.showerrors } - { os: osx, compiler: clang, env: COMPILER=clang USE_CMAKE=0 BUILD_FLAGS="-macAccelerate --with-fftw3=/usr/local --with-netcdf=/usr/local -noarpack" BUILD_TYPE=install TEST_TYPE=test.showerrors } - { os: linux, env: COMPILER=gnu USE_CMAKE=0 BUILD_FLAGS="-openmp -shared -fftw3" OPT=openmp OMP_NUM_THREADS=1 BUILD_TYPE=libcpptraj TEST_TYPE=test.libcpptraj } - - { os: linux, env: COMPILER=GNU USE_CMAKE=1 BUILD_FLAGS="-DOPENMP=TRUE" OMP_NUM_THREADS=4 TEST_TYPE=test.showerrors} + - { os: linux, env: COMPILER=GNU USE_CMAKE=1 BUILD_FLAGS="-DOPENMP=TRUE" OMP_NUM_THREADS=4 OPT=openmp TEST_TYPE=test.showerrors} - { os: osx, osx_image: xcode9.2, env: COMPILER=CLANG USE_CMAKE=1 BUILD_FLAGS="" TEST_TYPE=test.showerrors} #shell_session_update() { echo "Overriding shell_session_update"; }; diff --git a/configure b/configure index 8e034983b1..85ebc9a8f1 100755 --- a/configure +++ b/configure @@ -94,6 +94,7 @@ UsageFull() { } # ----- Script variables ------------------------------------------------------- +WORKDIR=`dirname $0` # Working directory of the configure script COMPILERS='' # User-specified compiler suite to use. FLINK='' # Flag for linking in Fortran code REQUIRES_FLINK=0 # If 1 FLINK flag required during link phase @@ -108,6 +109,7 @@ SFX='' # Binary suffix EXE='' # Binary executable suffix # ----- Configure options ------------------------ +USE_CMAKE=0 # 1 = use cmake for build COMPILE_VERBOSE=0 # 1 = show details during compile USE_MPI=0 # 0 = no MPI, 1 = mpicc etc, 2 = mpiicc etc USE_OPENMP=0 # 0 = no OpenMP, 1 = OpenMP @@ -128,6 +130,9 @@ USE_CPPTRAJDEBUG=0 # Enable internal cpptraj debug flags CLEAN='yes' # yes = clean after configure, no = do not PERFORM_CHECKS='yes' # yes = Check compilers/libraries, no = do not +AR_CMD='ar cqs' # Archive command for creating static libraries. +RM_CMD='/bin/rm -f' # Command for removing files. + # Flags for large file support LFS='-D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64' @@ -1453,6 +1458,151 @@ EOF fi } +#------------------------------------------------------------------------------- +# BuildRules {cxx|cc|f77} ... +# Write build rules for config files. +BuildRules() { + if [ -z "$1" ] ; then + echo "Internal Error: BuildRules(): No output file." > /dev/stderr + exit 1 + fi + configfile=$1 + shift + while [ ! -z "$1" ] ; do + rule='' + case "$1" in + cxx ) + echo "CXX=$CXX" >> $configfile + echo "CXXFLAGS=$CXXFLAGS \$(DBGFLAGS)" >> $configfile + rule='.cpp.o:' + cmd='CXX' + line='$(CXX) $(DIRECTIVES) $(INCLUDE) $(CXXFLAGS)' + ;; + cc ) + echo "CC=$CC" >> $configfile + echo "CFLAGS=$CFLAGS \$(DBGFLAGS)" >> $configfile + rule='.c.o:' + cmd='CC' + line='$(CC) $(DIRECTIVES) $(INCLUDE) $(CFLAGS)' + ;; + f77 ) + echo "FC=$FC" >> $configfile + echo "F77FLAGS=$F77FLAGS \$(DBGFLAGS)" >> $configfile + rule='.f.o:' + cmd='FC' + line='$(FC) $(DIRECTIVES) $(INCLUDE) $(F77FLAGS)' + ;; + f90 ) + echo "FC=$FC" >> $configfile + echo "FFLAGS=$FFLAGS \$(DBGFLAGS)" >> $configfile + # No rule needed for pub_fft.F90 + ;; + nvcc ) + echo "NVCC=$NVCC" >> $configfile + echo "NVCCFLAGS=$NVCCFLAGS" >> $configfile + rule='%%.o : %%.cu' + cmd='NVCC' + line='$(NVCC) $(DBGFLAGS) $(NVCCFLAGS)' + ;; + esac + if [ ! -z "$rule" ] ; then + printf "\n$rule\n" >> $configfile + if [ $COMPILE_VERBOSE -eq 0 ] ; then + printf "\t@echo $cmd \$<\n" >> $configfile + printf "\t@$line -c -o \$@ \$<\n\n" >> $configfile + else + printf "\n\t$line -c -o \$@ \$<\n\n" >> $configfile + fi + fi + shift + done +} + +#------------------------------------------------------------------------------- +# Use cmake to configure build. +SetupCmake() { + CMAKE=`which cmake` + if [ -z "$CMAKE" ] ; then + echo "Error: 'cmake' binary not found. Cannot configure with cmake." > /dev/stderr + exit 1 + fi + # Not recommended to run in same directory as configure + if [ "$WORKDIR" = '.' ] ; then + echo "Error: 'cmake' configure should be done in a separate directory." > /dev/stderr + echo " e.g. $ cd \$CPPTRAJHOME" > /dev/stderr + echo " $ mkdir build" > /dev/stderr + echo " $ cd build" > /dev/stderr + echo " $ ../configure -cmake " > /dev/stderr + exit 1 + fi + # Ensure cmake bnuild system exists + if [ ! -f "$WORKDIR/cmake/AmberBuildSystemInit.cmake" ] ; then + echo "Error: cmake build system is not present." > /dev/stderr + echo " If this is a GIT repostitory, you may need to initialize the" > /dev/stderr + echo " cmake submodule:" > /dev/stderr + echo " $ git submodule update --init --recursive" > /dev/stderr + exit 1 + fi + # Set up cmake options + cmake_options='' + # Figure out compilers + if [ "$COMPILERS" = 'gnu' ] ; then + cmake_options='-DCOMPILER=GNU' + elif [ "$COMPILERS" = 'intel' ] ; then + cmake_options='-DCOMPILER=INTEL' + elif [ "$COMPILERS" = 'pgi' ] ; then + cmake_options='-DCOMPILER=PGI' + elif [ "$COMPILERS" = 'clang' ] ; then + cmake_options='-DCOMPILER=CLANG' + elif [ "$COMPILERS" = 'cray' ] ; then + cmake_options='-DCOMPILER=CRAY' + fi + # Build options + if [ "$USE_MPI" -eq 0 ] ; then + cmake_options="$cmake_options -DMPI=FALSE" + else + cmake_options="$cmake_options -DMPI=TRUE" + fi + if [ "$USE_OPENMP" -eq 0 ] ; then + cmake_options="$cmake_options -DOPENMP=FALSE" + else + cmake_options="$cmake_options -DOPENMP=TRUE" + fi + if [ "$USE_CUDA" -eq 0 ] ; then + cmake_options="$cmake_options -DCUDA=FALSE" + else + cmake_options="$cmake_options -DCUDA=TRUE" + fi + #if [ "${LIB_STAT[$LFFTW3]}" = 'off' ] ; then + # cmake_options="$cmake_options -DUSE_FFT=FALSE" + #fi + if [ $USE_STATIC -eq 1 ] ; then + cmake_options="$cmake_options -DSTATIC=TRUE" + fi + if [ ! -z "$CPPTRAJHOME" ] ; then + cmake_options="$cmake_options -DCMAKE_INSTALL_PREFIX=$CPPTRAJHOME" + else + cmake_options="$cmake_options -DCMAKE_INSTALL_PREFIX=$WORKDIR" + fi + if [ $USE_OPT -eq 0 ] ; then + cmake_options="$cmake_options -DOPTIMIZE=FALSE" + else + cmake_options="$cmake_options -DOPTIMIZE=TRUE" + fi + if [ $USE_DEBUG -eq 0 ] ; then + cmake_options="$cmake_options -DCMAKE_BUILD_TYPE=Release" + else + cmake_options="$cmake_options -DCMAKE_BUILD_TYPE=Debug" + fi + if [ $COMPILE_VERBOSE -eq 1 ] ; then + cmake_options="$cmake_options -DCMAKE_VERBOSE_MAKEFILE=TRUE" + fi + echo " Cmake options: $WORKDIR $cmake_options" + # Run cmake + $CMAKE $WORKDIR $cmake_options + exit $? +} + # ============================================================================== # MAIN SCRIPT @@ -1516,6 +1666,7 @@ while [ ! -z "$1" ] ; do 'NVCCFLAGS' ) NVCCFLAGS="$VALUE" ;; 'SHADER_MODEL') SHADER_MODEL="$VALUE" ;; # Build options + '-cmake' ) USE_CMAKE=1 ;; '-mpi' ) USE_MPI=1 ;; '-intelmpi' ) USE_MPI=2 ;; '-openmp' ) USE_OPENMP=1 ;; @@ -1595,6 +1746,11 @@ if [ -z "$NBITS" ] ; then fi fi +# Should we use cmake instead? +if [ $USE_CMAKE -eq 1 ] ; then + SetupCmake +fi + # Basic checks and directives BasicChecks @@ -1727,18 +1883,12 @@ fi # ----- Determine which targets to build --------- CPPTRAJ_TARGET="" -AMBPDB_TARGET="" LIBCPPTRAJ_TARGET="" NPROC_TARGET="" INSTALL_TARGETS="" # Always build cpptraj CPPTRAJ_TARGET=cpptraj$SFX$EXE INSTALL_TARGETS=$INSTALL_TARGETS" install_cpptraj" -# Only build ambpdb in serial -if [ $USE_MPI -eq 0 -a $USE_OPENMP -eq 0 -a $USE_CUDA -eq 0 ] ; then - AMBPDB_TARGET=ambpdb - INSTALL_TARGETS=$INSTALL_TARGETS" install_ambpdb" -fi # Can we build libcpptraj? TODO serial/OpenMP only? if [ $USE_SHARED -eq 1 ] ; then LIBCPPTRAJ_TARGET='$(CPPTRAJLIB)/libcpptraj$(SHARED_SUFFIX)' @@ -1753,22 +1903,43 @@ fi # CUDA if [ $USE_CUDA -eq 1 ] ; then CUDA_TARGET='cuda_kernels/libcpptraj_cuda.a' + cat > src/cuda_kernels/cuda.config.h < src/readline/readline.config.h < src/xdrfile/xdrfile.config.h < src/arpack/arpack.config.h <> config.h fi cat >> config.h < buildrules.h < buildrules.h < // stdin, fileno -#ifdef _WIN32 - #include - #define isatty _isatty -#else - #include // isatty -#endif -#include "CpptrajStdio.h" -#include "ParmFile.h" -#include "Trajin_Single.h" -#include "Trajout_Single.h" -#include "StringRoutines.h" -#include "Traj_AmberRestart.h" -#define VERSION_STRING "V16.00" - -static void Help(const char* prgname, bool showAdditional) { - mprinterr("\nUsage: %s -p 'Top' -c 'Coords' [Additional Options]\n" - " %s -p 'Top' < 'AmberRestart' [Additional Options]\n" - " -p 'Top' Topology file (default: prmtop).\n" - " -c 'Coords' Coordinate file.\n" - " 'AmberRestart' Amber restart file from STDIN.\n" - " PDB is written to STDOUT.\n", prgname, prgname); - if (showAdditional) { - mprinterr( - " Options for alternate output format (give only one of these):\n" - " -pqr PQR (MEAD) format with charges and radii.\n" - " -mol2 TRIPOS MOL2 format.\n" - " Additional Options:\n" - " -v Print version information.\n" - " -tit Write a REMARK record containing TITLE.\n" - " (default: use prmtop title)\n" - " -aatm Left-justified Amber atom names.\n" - " -sybyl (MOL2 format only) Convert Amber atom types to SYBYL.\n" - " -ac <file> (Implies '-sybyl') Atom type corresponding file (optional).\n" - " -bc <file> (Implies '-sybyl') Bond type corresponding file (optional).\n" - " -conect Write CONECT records for all bonds.\n" - " -ep Include extra points if present.\n" - " -bres Brookhaven Residue names (HIE->HIS, etc.).\n" - " -ctr Center molecule on (0,0,0).\n" - " -noter Do not write TER records.\n" - " -ext Use PRMTOP extended PDB info, if present.\n" - " -nobox Do not write CRYST1 record if box coordinates present.\n" - " -offset <INT> Add offset to residue numbers.\n"); -// " -ene <FLOAT> Define H-bond energy cutoff for FIRST.\n" -// " -bin The coordinate file is in binary form.\n" -// " -sas PQR with 1.4 added to atom radii.\n" -// " -bnd list bonds from the PRMTOP.\n" -// " -atm Mike Connolly surface/volume format.\n" -// " -first Add REMARKs for input to FIRST.\n" - } else - mprinterr(" Use '-h' or '--help' to see additional options.\n"); - mprinterr("\n"); -} - -static bool Unsupported(std::string const& arg) { - if (arg == "-ext" || arg == "-ene" || arg == "-bin" || - arg == "-sas" || arg == "-bnd" || arg == "-atm" || - arg == "-first") return true; - return false; -} - -static void WriteVersion() { -# ifdef BUILDTYPE - mprinterr("| ambpdb (C++) Version %s (%s)\n", VERSION_STRING, BUILDTYPE); -# else - mprinterr("| ambpdb (C++) Version %s\n", VERSION_STRING); -# endif -} - -// ----- M A I N --------------------------------------------------------------- -int main(int argc, char** argv) { - SetWorldSilent(true); // No STDOUT output from cpptraj routines. - std::string topname, crdname, title, bres, pqr, sybyltype, sybylfile, writeconect; - std::string aatm(" pdbatom"), ter_opt(" terbyres"), box(" sg \"P 1\""); - TrajectoryFile::TrajFormatType fmt = TrajectoryFile::PDBFILE; - bool ctr_origin = false; - bool useExtendedInfo = false; - int res_offset = 0; - int debug = 0; - int numSoloArgs = 0; - for (int i = 1; i < argc; ++i) { - std::string arg( argv[i] ); - if (arg == "-p" && i+1 != argc && topname.empty()) // Topology - topname = std::string( argv[++i] ); - else if (arg == "-c" && i+1 != argc && crdname.empty()) // Coords - crdname = std::string( argv[++i] ); - else if (arg == "-tit" && i+1 != argc && title.empty()) // Title - title = " title " + std::string( argv[++i] ); - else if (arg == "-offset" && i+1 != argc) // Residue # offset - res_offset = convertToInteger( argv[++i] ); - else if ((arg == "-d" || arg == "--debug") && i+1 != argc) // Debug level - debug = convertToInteger( argv[++i] ); - else if (arg == "-ac" && i+1 != argc) // Amber->Sybyl atom map - sybylfile.append(" sybylatom " + std::string(argv[++i])); - else if (arg == "-bc" && i+1 != argc) // Amber->Sybyl bond map - sybylfile.append(" sybylbond " + std::string(argv[++i])); - else if (arg == "-h" || arg == "--help") { // Help - Help(argv[0], true); - return 0; - } else if (arg == "-v" || arg == "--version") { // Version info - WriteVersion(); - return 0; - } else if (arg == "-aatm") // Amber atom names, include extra pts - aatm.assign(" include_ep"); - else if (arg == "-sybyl") // Amber atom types to SYBYL - sybyltype.assign(" sybyltype"); - else if (arg == "-conect") // Write CONECT records from bond info - writeconect.assign(" conect"); - else if (arg == "-ep") // PDB atom names, include extra pts - aatm.append(" include_ep"); - else if (arg == "-bres") // PDB residue names - bres.assign(" pdbres"); - else if (arg == "-ext") // Use extended PDB info from Topology - useExtendedInfo = true; - else if (arg == "-ctr") // Center on origin - ctr_origin = true; - else if (arg == "-noter") // No TER cards - ter_opt.assign(" noter"); - else if (arg == "-nobox") // No CRYST1 record - box.assign(" nobox"); - else if (arg == "-pqr") { // Charge/Radii in occ/bfactor cols - pqr.assign(" dumpq"); - ++numSoloArgs; - } else if (arg == "-mol2") { // output as mol2 - fmt = TrajectoryFile::MOL2FILE; - ++numSoloArgs; - } else if (Unsupported(arg)) { - mprinterr("Error: Option '%s' is not yet supported.\n\n", arg.c_str()); - return 1; - } else { - mprinterr("Error: Unrecognized option '%s'\n", arg.c_str()); - Help(argv[0], false); - return 1; - } - } - if (debug > 0) WriteVersion(); - // Check command line for errors. - if (topname.empty()) topname.assign("prmtop"); - if (debug > 0 && crdname.empty()) - mprinterr("| Reading Amber restart from STDIN\n"); - if (numSoloArgs > 1) { - mprinterr("Error: Only one alternate output format option may be specified (found %i)\n", - numSoloArgs); - Help(argv[0], true); - return 1; - } - // Check SYBYL atom type args, Mol2 only - if (sybyltype.empty() && !sybylfile.empty()) - sybyltype.assign(" sybyltype"); - if (!sybyltype.empty() && fmt != TrajectoryFile::MOL2FILE) { - mprinterr("Warning: -sybyl is only valid for MOL2 file output.\n"); - sybyltype.clear(); - sybylfile.clear(); - } - sybyltype.append(sybylfile); - if (debug > 0) { - mprinterr("Warning: debug is %i; debug info will be written to STDOUT.\n", debug); - SetWorldSilent(false); - } - // Topology - ParmFile pfile; - Topology parm; - if (pfile.ReadTopology(parm, topname, debug)) { - if (topname == "prmtop") Help(argv[0], false); - return 1; - } - if (!useExtendedInfo) - parm.ResetPDBinfo(); - if (res_offset != 0) - for (int r = 0; r < parm.Nres(); r++) - parm.SetRes(r).SetOriginalNum( parm.Res(r).OriginalResNum() + res_offset ); - ArgList trajArgs; - // Input coords - Frame TrajFrame; - CoordinateInfo cInfo; - if (!crdname.empty()) { - Trajin_Single trajin; - if (trajin.SetupTrajRead(crdname, trajArgs, &parm)) return 1; - cInfo = trajin.TrajCoordInfo(); - TrajFrame.SetupFrameV(parm.Atoms(), cInfo); - trajin.BeginTraj(); - if (trajin.ReadTrajFrame(0, TrajFrame)) return 1; - trajin.EndTraj(); - } else { - // Assume Amber restart from STDIN - // Check that input is from a redirect. - if ( isatty(fileno(stdin)) ) { - mprinterr("Error: No coordinates specified with '-c' and no STDIN '<'.\n"); - return 1; - } - Traj_AmberRestart restartIn; - restartIn.SetDebug( debug ); - //restartIn.processReadArgs( trajArgs ); - int total_frames = restartIn.setupTrajin("", &parm); - if (total_frames < 1) return 1; - cInfo = restartIn.CoordInfo(); - TrajFrame.SetupFrameV(parm.Atoms(), cInfo); - if (restartIn.openTrajin()) return 1; - if (restartIn.readFrame(0, TrajFrame)) return 1; - restartIn.closeTraj(); - } - if (ctr_origin) - TrajFrame.CenterOnOrigin(false); - // Output coords - - Trajout_Single trajout; - std::string ARGS; - if (fmt == TrajectoryFile::MOL2FILE) - ARGS = title + sybyltype; - else - ARGS = aatm + bres + pqr + title + ter_opt + box + writeconect; - trajArgs.SetList( ARGS, " " ); - if ( trajout.PrepareStdoutTrajWrite(trajArgs, &parm, cInfo, 1, fmt) ) return 1; - trajout.WriteSingle(0, TrajFrame); - trajout.EndTraj(); - return 0; -} diff --git a/src/CMakeLists.txt b/src/CMakeLists.txt index 13feedccd5..05104e2f20 100644 --- a/src/CMakeLists.txt +++ b/src/CMakeLists.txt @@ -1,20 +1,18 @@ add_subdirectory(xdrfile) #--------------------------------------------------------------------------------------------------------------------------------------------------------------------- -# Parse cpptrajfiles and ambpdbfiles +# Parse cpptrajfiles # read each non-empty line into an element of a list file(STRINGS ${CMAKE_CURRENT_SOURCE_DIR}/cpptrajfiles CPPTRAJFILES_CONTENTS) -file(STRINGS ${CMAKE_CURRENT_SOURCE_DIR}/ambpdbfiles AMBPDBFILES_CONTENTS) # get rid of backslashes string(REPLACE "\\" "" CPPTRAJFILES_CONTENTS "${CPPTRAJFILES_CONTENTS}") -string(REPLACE "\\" "" AMBPDBFILES_CONTENTS "${AMBPDBFILES_CONTENTS}") # name of list that we are curreently appending to set(LIST_NAME "") -foreach(LINE ${CPPTRAJFILES_CONTENTS} ${AMBPDBFILES_CONTENTS}) +foreach(LINE ${CPPTRAJFILES_CONTENTS}) # ignore comment lines if(NOT "${LINE}" MATCHES "^#") @@ -55,7 +53,6 @@ endforeach() # CSOURCES - all C source files used for cpptraj and libcpptraj # SOURCES - C++ sources for cpptraj only # LIBCPPTRAJ_OBJECTS - C++ sources for libcpptraj that should be compiled with the LIBCPPTRAJ definition -# AMBPDBSOURCES - C++ sources for AMBPDB # pub_fft.F90 is not in the source lists set(PUBFFT_FORTRAN_SOURCE pub_fft.F90) @@ -63,7 +60,7 @@ set(PUBFFT_FORTRAN_SOURCE pub_fft.F90) #--------------------------------------------------------------------------------------------------------------------------------------------------------------------- set_property(SOURCE ${PUBFFT_FORTRAN_SOURCE} PROPERTY COMPILE_FLAGS "${OPT_FFLAGS_SPC}") -set_property(SOURCE ${COMMON_SOURCES} ${AMBPDBSOURCES} ${SOURCES} ${LIBCPPTRAJ_OBJECTS} PROPERTY COMPILE_FLAGS "${OPT_CXXFLAGS_SPC}") +set_property(SOURCE ${COMMON_SOURCES} ${SOURCES} ${LIBCPPTRAJ_OBJECTS} PROPERTY COMPILE_FLAGS "${OPT_CXXFLAGS_SPC}") set_property(SOURCE ${CSOURCES} PROPERTY COMPILE_FLAGS "${OPT_CFLAGS_SPC}") include_directories(${AMBERTOOLS_INC_DIR}) @@ -100,13 +97,7 @@ add_executable(cpptraj $<TARGET_OBJECTS:cpptraj_common_obj> ${SOURCES}) target_link_libraries(cpptraj netcdf netlib) -#------------------------------------------------------------------------------------------ -# ambpdb executable - -add_executable(ambpdb ${AMBPDBSOURCES}) -target_link_libraries(ambpdb netcdf) -install(TARGETS cpptraj ambpdb DESTINATION ${BINDIR}) - +install(TARGETS cpptraj DESTINATION ${BINDIR}) #------------------------------------------------------------------------------------------ # libcpptraj library @@ -168,13 +159,13 @@ endif() if(libbz2_ENABLED) add_definitions(-DHASBZ2) include_directories(${BZIP2_INCLUDE_DIR}) - targets_link_libraries(cpptraj libcpptraj ambpdb LIBRARIES bzip2) + targets_link_libraries(cpptraj libcpptraj LIBRARIES bzip2) endif() if(zlib_ENABLED) add_definitions(-DHASGZ) include_directories(${ZLIB_INCLUDE_DIRS}) - targets_link_libraries(cpptraj libcpptraj ambpdb LIBRARIES ${ZLIB_LIBRARIES}) + targets_link_libraries(cpptraj libcpptraj LIBRARIES ${ZLIB_LIBRARIES}) endif() if(fftw_ENABLED) @@ -191,7 +182,7 @@ else() endif() #xdrfile -targets_link_libraries(cpptraj libcpptraj ambpdb LIBRARIES xdrfile) +targets_link_libraries(cpptraj libcpptraj LIBRARIES xdrfile) # libsander if(INSIDE_AMBER AND ("${AMBER_TOOLS}" MATCHES "sander" AND BUILD_SANDER_API)) diff --git a/src/FindDepend.cpp b/src/FindDepend.cpp index f2cef3e494..2b6a4a51eb 100644 --- a/src/FindDepend.cpp +++ b/src/FindDepend.cpp @@ -44,6 +44,7 @@ bool IgnoreHeader(const char* headername) { if (strcmp(headername,"omp.h")==0) return true; if (strncmp(headername,"readline",8)==0) return true; if (strncmp(headername,"xdrfile",7)==0) return true; + if (strncmp(headername,"lisp",4)==0) return true; // for readline return false; } diff --git a/src/Makefile b/src/Makefile index 940be6524e..79024310d4 100644 --- a/src/Makefile +++ b/src/Makefile @@ -1,17 +1,10 @@ # Cpptraj standalone Makefile include ../config.h -include ../buildrules.h include cpptrajfiles OBJECTS=$(SOURCES:.cpp=.o) $(CSOURCES:.c=.o) -include ambpdbfiles - -AMBPDB_OBJECTS=$(AMBPDBSOURCES:.cpp=.o) - -CUDA_SOURCES=cuda_kernels/core_kernels.cu cuda_kernels/kernel_wrappers.cu - # Default target: cpptraj only all: cpptraj$(SFX)$(EXE) @@ -25,13 +18,6 @@ install_cpptraj: cpptraj$(SFX)$(EXE) cpptraj$(SFX)$(EXE): $(OBJECTS) $(FFT_TARGET) $(READLINE_TARGET) $(CUDA_TARGET) $(XDRFILE_TARGET) $(ARPACK_TARGET) $(CXX) -o cpptraj$(SFX)$(EXE) $(OBJECTS) $(CUDA_TARGET) $(FFT_TARGET) $(READLINE_LIB) $(CPPTRAJ_LIB) $(LDFLAGS) -# AmbPDB ------------------------------- -install_ambpdb: ambpdb$(EXE) - mv ambpdb$(EXE) $(CPPTRAJBIN) - -ambpdb$(EXE): $(AMBPDB_OBJECTS) $(XDRFILE_TARGET) - $(CXX) -o ambpdb$(EXE) $(AMBPDB_OBJECTS) $(LDFLAGS) - # libcpptraj --------------------------- # Rule to make libcpptraj-specific objects %.LIBCPPTRAJ.o : %.cpp @@ -56,13 +42,13 @@ nproc: pub_fft.o: pub_fft.F90 $(FC) $(FPPFLAGS) -c $(FFLAGS) -o $@ pub_fft.F90 -readline/libreadline.a: readline/Makefile +readline/libreadline.a: readline/readline.config.h cd readline && $(MAKE) all -xdrfile/libxdrfile.a: xdrfile/Makefile +xdrfile/libxdrfile.a: xdrfile/xdrfile.config.h cd xdrfile && $(MAKE) all -arpack/libarpack.a: arpack/Makefile +arpack/libarpack.a: arpack/arpack.config.h cd arpack && $(MAKE) install noreadline: @@ -80,7 +66,7 @@ noarpack: @echo "Skipping bundled ARPACK build" @echo "" -cuda_kernels/libcpptraj_cuda.a: $(CUDA_SOURCES) +cuda_kernels/libcpptraj_cuda.a: cuda_kernels/cuda.config.h cd cuda_kernels && $(MAKE) all # Dependency targets @@ -88,23 +74,22 @@ findDepend: FindDepend.o $(CXX) -o findDepend FindDepend.o depend: findDepend - ./findDepend $(SOURCES) $(CSOURCES) AmbPDB.cpp > cpptrajdepend + ./findDepend $(SOURCES) $(CSOURCES) > cpptrajdepend dependclean: - /bin/rm -f FindDepend.o findDepend + $(DEL_FILE) FindDepend.o findDepend # Clean/uninstall targets clean: - /bin/rm -f $(OBJECTS) $(FFT_TARGET) cpptraj$(SFX) AmbPDB.o ambpdb *.LIBCPPTRAJ.o libcpptraj$(SHARED_SUFFIX) + $(DEL_FILE) $(OBJECTS) $(FFT_TARGET) cpptraj$(SFX) *.LIBCPPTRAJ.o libcpptraj$(SHARED_SUFFIX) cd readline && $(MAKE) clean cd xdrfile && $(MAKE) clean cd arpack && $(MAKE) clean cd cuda_kernels && $(MAKE) clean uninstall: - /bin/rm -f $(CPPTRAJBIN)/cpptraj$(SFX)$(EXE) - /bin/rm -f $(CPPTRAJBIN)/ambpdb$(EXE) - /bin/rm -f $(CPPTRAJLIB)/libcpptraj$(SHARED_SUFFIX) + $(DEL_FILE) $(CPPTRAJBIN)/cpptraj$(SFX)$(EXE) + $(DEL_FILE) $(CPPTRAJLIB)/libcpptraj$(SHARED_SUFFIX) cd readline && make uninstall cd xdrfile && make uninstall cd cuda_kernels && make uninstall diff --git a/src/arpack/Makefile b/src/arpack/Makefile index 0e052e9b8f..fdd1eb1a87 100644 --- a/src/arpack/Makefile +++ b/src/arpack/Makefile @@ -1,13 +1,15 @@ -include ../../config.h +# Makefile for ARPACK bundled with cpptraj +include arpack.config.h LIBDIR = . AR = ar rv RANLIB = ranlib -.f.o: - $(FC) -c $(F77FLAGS) -o $@ $< +TARGET = libarpack.a -install: $(LIBDIR)/libarpack.a +all: install + +install: $(LIBDIR)/$(TARGET) ARPACKLIB= ivout.o dvout.o dgetv0.o dlaqrb.o dnaitr.o dnapps.o \ dnaup2.o dnaupd.o dnconv.o dneigh.o dmout.o \ @@ -21,13 +23,14 @@ sneupd.o sngets.o ssaitr.o ssapps.o ssaup2.o \ ssaupd.o ssconv.o sseigt.o ssesrt.o sseupd.o \ ssgets.o ssortc.o ssortr.o sstatn.o sstats.o sstqrb.o -$(LIBDIR)/libarpack.a: $(ARPACKLIB) - $(AR) libarpack.a $(ARPACKLIB) - $(RANLIB) libarpack.a +$(LIBDIR)/$(TARGET): $(ARPACKLIB) + -$(DEL_FILE) $(TARGET) + $(AR) $(TARGET) $(ARPACKLIB) + $(RANLIB) $(TARGET) clean: - -/bin/rm -f *.o _*.f *__genmod.* libarpack.a + $(DEL_FILE) *.o _*.f *__genmod.* $(TARGET) uninstall: - -rm -f $(LIBDIR)/libarpack.a + $(DEL_FILE) $(LIBDIR)/$(TARGET) diff --git a/src/cpptrajdepend b/src/cpptrajdepend index e4baf5c089..bd3b70b476 100644 --- a/src/cpptrajdepend +++ b/src/cpptrajdepend @@ -83,7 +83,6 @@ Action_VelocityAutoCorr.o : Action_VelocityAutoCorr.cpp Action.h ActionState.h A Action_Volmap.o : Action_Volmap.cpp Action.h ActionState.h Action_Volmap.h ArgList.h ArrayIterator.h AssociatedData.h Atom.h AtomExtra.h AtomMask.h BaseIOtype.h Box.h CharMask.h Constants.h CoordinateInfo.h CpptrajFile.h CpptrajStdio.h DataFile.h DataFileList.h DataIO.h DataSet.h DataSetList.h DataSet_3D.h DataSet_Coords.h DataSet_Coords_REF.h DataSet_GridFlt.h Dimension.h DispatchObject.h FileIO.h FileName.h FileTypes.h Frame.h Grid.h GridBin.h MaskToken.h Matrix_3x3.h MetaData.h Molecule.h NameType.h Parallel.h ParameterTypes.h Range.h ReferenceFrame.h ReplicaDimArray.h Residue.h SymbolExporting.h TextFormat.h Timer.h Topology.h Vec3.h Action_Volume.o : Action_Volume.cpp Action.h ActionState.h Action_Volume.h ArgList.h AssociatedData.h Atom.h AtomExtra.h AtomMask.h BaseIOtype.h Box.h CharMask.h CoordinateInfo.h CpptrajFile.h CpptrajStdio.h DataFile.h DataFileList.h DataIO.h DataSet.h DataSetList.h DataSet_1D.h DataSet_Coords.h DataSet_Coords_REF.h Dimension.h DispatchObject.h DistRoutines.h FileIO.h FileName.h FileTypes.h Frame.h ImagedAction.h MaskToken.h Matrix_3x3.h MetaData.h Molecule.h NameType.h Parallel.h ParameterTypes.h Range.h ReferenceFrame.h ReplicaDimArray.h Residue.h SymbolExporting.h TextFormat.h Timer.h Topology.h Vec3.h Action_Watershell.o : Action_Watershell.cpp Action.h ActionState.h Action_Watershell.h ArgList.h AssociatedData.h Atom.h AtomExtra.h AtomMask.h BaseIOtype.h Box.h CharMask.h CoordinateInfo.h CpptrajFile.h CpptrajStdio.h DataFile.h DataFileList.h DataIO.h DataSet.h DataSetList.h DataSet_Coords.h DataSet_Coords_REF.h Dimension.h DispatchObject.h DistRoutines.h FileIO.h FileName.h FileTypes.h Frame.h ImageRoutines.h ImageTypes.h ImagedAction.h MaskToken.h Matrix_3x3.h MetaData.h Molecule.h NameType.h Parallel.h ParameterTypes.h Range.h ReferenceFrame.h ReplicaDimArray.h Residue.h SymbolExporting.h TextFormat.h Timer.h Topology.h Vec3.h -AmbPDB.o : AmbPDB.cpp ActionFrameCounter.h ArgList.h Atom.h AtomExtra.h AtomMask.h BaseIOtype.h BondSearch.h Box.h BufferedFrame.h CharMask.h CoordinateInfo.h CpptrajFile.h CpptrajStdio.h FileIO.h FileName.h FileTypes.h Frame.h FrameArray.h FramePtrArray.h InputTrajCommon.h MaskToken.h Matrix_3x3.h Molecule.h NameType.h OutputTrajCommon.h Parallel.h ParameterTypes.h ParmFile.h ParmIO.h Range.h ReplicaDimArray.h Residue.h StringRoutines.h SymbolExporting.h TextFormat.h Topology.h TrajFrameCounter.h Traj_AmberRestart.h TrajectoryFile.h TrajectoryIO.h Trajin.h Trajin_Single.h Trajout_Single.h Vec3.h AnalysisList.o : AnalysisList.cpp ActionState.h Analysis.h AnalysisList.h AnalysisState.h ArgList.h AssociatedData.h Atom.h AtomExtra.h AtomMask.h BaseIOtype.h Box.h CharMask.h CoordinateInfo.h CpptrajFile.h CpptrajStdio.h DataFile.h DataFileList.h DataIO.h DataSet.h DataSetList.h DataSet_Coords.h DataSet_Coords_REF.h Dimension.h DispatchObject.h FileIO.h FileName.h FileTypes.h Frame.h MaskToken.h Matrix_3x3.h MetaData.h Molecule.h NameType.h Parallel.h ParameterTypes.h Range.h ReferenceFrame.h ReplicaDimArray.h Residue.h SymbolExporting.h TextFormat.h Timer.h Topology.h Vec3.h Analysis_AmdBias.o : Analysis_AmdBias.cpp ActionState.h Analysis.h AnalysisState.h Analysis_AmdBias.h ArgList.h AssociatedData.h Atom.h AtomExtra.h AtomMask.h BaseIOtype.h Box.h CharMask.h CoordinateInfo.h CpptrajFile.h CpptrajStdio.h DataFile.h DataFileList.h DataIO.h DataSet.h DataSetList.h DataSet_1D.h DataSet_Coords.h DataSet_Coords_REF.h DataSet_double.h Dimension.h DispatchObject.h FileIO.h FileName.h FileTypes.h Frame.h MaskToken.h Matrix_3x3.h MetaData.h Molecule.h NameType.h Parallel.h ParameterTypes.h Range.h ReferenceFrame.h ReplicaDimArray.h Residue.h SymbolExporting.h TextFormat.h Timer.h Topology.h Vec3.h Analysis_AutoCorr.o : Analysis_AutoCorr.cpp ActionState.h Analysis.h AnalysisState.h Analysis_AutoCorr.h ArgList.h ArrayIterator.h AssociatedData.h Atom.h AtomExtra.h AtomMask.h BaseIOtype.h Box.h CharMask.h ComplexArray.h CoordinateInfo.h CpptrajFile.h CpptrajStdio.h DataFile.h DataFileList.h DataIO.h DataSet.h DataSetList.h DataSet_1D.h DataSet_Coords.h DataSet_Coords_REF.h DataSet_Vector.h Dimension.h DispatchObject.h FileIO.h FileName.h FileTypes.h Frame.h MaskToken.h Matrix_3x3.h MetaData.h Molecule.h NameType.h Parallel.h ParameterTypes.h Range.h ReferenceFrame.h ReplicaDimArray.h Residue.h SymbolExporting.h TextFormat.h Timer.h Topology.h Vec3.h diff --git a/src/cuda_kernels/Makefile b/src/cuda_kernels/Makefile index 5c2b38ec9f..d85c241940 100644 --- a/src/cuda_kernels/Makefile +++ b/src/cuda_kernels/Makefile @@ -1,16 +1,11 @@ -include ../../config.h +include cuda.config.h # Variables -AR = ar cqs -DEL_FILE = /bin/rm -f TARGET = libcpptraj_cuda.a # General rules -%.o : %.cu - $(NVCC) $(DBGFLAGS) -c $(NVCCFLAGS) -o $@ $< - # Source files CUDA_SOURCES=core_kernels.cu kernel_wrappers.cu @@ -28,7 +23,7 @@ $(TARGET): $(OBJECTS) $(AR) $(TARGET) $(OBJECTS) clean: - /bin/rm -f *.o $(TARGET) + $(DEL_FILE) *.o $(TARGET) uninstall: clean diff --git a/src/readline/Makefile b/src/readline/Makefile index 6b5d283ec1..4a636c5869 100644 --- a/src/readline/Makefile +++ b/src/readline/Makefile @@ -1,43 +1,7 @@ -include ../../config.h -############################################################################# -# Makefile for building: libreadline.a -# Generated by qmake (2.01a) (Qt 4.2.3) on: Fri May 4 12:47:53 2007 -# Project: readline.pro -# Template: lib -# Command: /usr/bin/qmake -unix -o Makefile readline.pro -############################################################################# +# Makefile for readline bundled with cpptraj. +include readline.config.h -####### Compiler, tools and options - -DEFINES = -DHAVE_CONFIG_H -CFLAGS += $(DEFINES) -CXXFLAGS += $(DEFINES) -LEXFLAGS = -YACCFLAGS = -d -INCPATH = -I. -AR = ar cqs -RANLIB = -QMAKE = /usr/bin/qmake -TAR = tar -cf -COMPRESS = gzip -9f -COPY = cp -f -COPY_FILE = $(COPY) -COPY_DIR = $(COPY) -r -INSTALL_FILE = install -m 644 -p -INSTALL_DIR = $(COPY_DIR) -INSTALL_PROGRAM = install -m 755 -p -DEL_FILE = rm -f -SYMLINK = ln -sf -DEL_DIR = rmdir -MOVE = mv -f -CHK_DIR_EXISTS= test -d -MKDIR = mkdir -p - -####### Output directory - -OBJECTS_DIR = ./ - -####### Files +TARGET=libreadline.a SOURCES = bind.c \ callback.c \ @@ -73,547 +37,56 @@ SOURCES = bind.c \ util.c \ version.c \ vi_mode.c \ - xmalloc.c -OBJECTS = bind.o \ - callback.o \ - compat.o \ - complete.o \ - display.o \ - funmap.o \ - histexpand.o \ - histfile.o \ - history.o \ - histsearch.o \ - input.o \ - isearch.o \ - keymaps.o \ - kill.o \ - macro.o \ - mbutil.o \ - misc.o \ - nls.o \ - parens.o \ - readline.o \ - rltty.o \ - savestring.o \ - search.o \ - shell.o \ - signals.o \ - termcap.o \ - terminal.o \ - text.o \ - tilde.o \ - tparam.o \ - undo.o \ - util.o \ - version.o \ - vi_mode.o \ - xmalloc.o -QMAKE_TARGET = readline -DESTDIR = -TARGET = libreadline.a - -first: all -####### Implicit rules - -.SUFFIXES: .o .c .cpp .cc .cxx .C - -.cpp.o: - $(CXX) -c $(CXXFLAGS) $(INCPATH) -o "$@" "$<" + xmalloc.c -.cc.o: - $(CXX) -c $(CXXFLAGS) $(INCPATH) -o "$@" "$<" +OBJECTS=$(SOURCES:.c=.o) -.cxx.o: - $(CXX) -c $(CXXFLAGS) $(INCPATH) -o "$@" "$<" +all: $(TARGET) -.C.o: - $(CXX) -c $(CXXFLAGS) $(INCPATH) -o "$@" "$<" - -.c.o: - $(CC) -c $(CFLAGS) $(INCPATH) -o "$@" "$<" - -####### Build rules - -all: $(TARGET) - -staticlib: $(TARGET) - -$(TARGET): $(OBJECTS) $(OBJCOMP) +$(TARGET): $(OBJECTS) -$(DEL_FILE) $(TARGET) $(AR) $(TARGET) $(OBJECTS) - -####### Compile - -bind.o: bind.c config.h \ - ansi_stdlib.h \ - posixstat.h \ - rldefs.h \ - rlstdc.h \ - rlconf.h \ - readline.h \ - rltypedefs.h \ - keymaps.h \ - chardefs.h \ - tilde.h \ - history.h \ - rlprivate.h \ - posixjmp.h \ - rlshell.h \ - xmalloc.h - $(CC) -c $(CFLAGS) $(INCPATH) -o bind.o bind.c - -callback.o: callback.c config.h \ - rlconf.h \ - ansi_stdlib.h \ - rldefs.h \ - rlstdc.h \ - readline.h \ - rltypedefs.h \ - keymaps.h \ - chardefs.h \ - tilde.h \ - rlprivate.h \ - posixjmp.h \ - xmalloc.h - $(CC) -c $(CFLAGS) $(INCPATH) -o callback.o callback.c - -compat.o: compat.c config.h \ - rlstdc.h \ - rltypedefs.h - $(CC) -c $(CFLAGS) $(INCPATH) -o compat.o compat.c - -complete.o: complete.c config.h \ - ansi_stdlib.h \ - posixdir.h \ - posixstat.h \ - rldefs.h \ - rlstdc.h \ - rlconf.h \ - rlmbutil.h \ - readline.h \ - rltypedefs.h \ - keymaps.h \ - chardefs.h \ - tilde.h \ - xmalloc.h \ - rlprivate.h \ - posixjmp.h - $(CC) -c $(CFLAGS) $(INCPATH) -o complete.o complete.c - -display.o: display.c config.h \ - posixstat.h \ - ansi_stdlib.h \ - rldefs.h \ - rlstdc.h \ - rlconf.h \ - rlmbutil.h \ - tcap.h \ - rltty.h \ - rlwinsize.h \ - termcap.h \ - readline.h \ - rltypedefs.h \ - keymaps.h \ - chardefs.h \ - tilde.h \ - history.h \ - rlprivate.h \ - posixjmp.h \ - xmalloc.h - $(CC) -c $(CFLAGS) $(INCPATH) -o display.o display.c - -funmap.o: funmap.c config.h \ - ansi_stdlib.h \ - rlconf.h \ - readline.h \ - rlstdc.h \ - rltypedefs.h \ - keymaps.h \ - chardefs.h \ - tilde.h \ - xmalloc.h - $(CC) -c $(CFLAGS) $(INCPATH) -o funmap.o funmap.c - -histexpand.o: histexpand.c config.h \ - ansi_stdlib.h \ - rlmbutil.h \ - rlstdc.h \ - history.h \ - rltypedefs.h \ - histlib.h \ - rlshell.h \ - xmalloc.h - $(CC) -c $(CFLAGS) $(INCPATH) -o histexpand.o histexpand.c - -histfile.o: histfile.c config.h \ - posixstat.h \ - ansi_stdlib.h \ - history.h \ - rlstdc.h \ - rltypedefs.h \ - histlib.h \ - rlshell.h \ - xmalloc.h - $(CC) -c $(CFLAGS) $(INCPATH) -o histfile.o histfile.c - -history.o: history.c config.h \ - ansi_stdlib.h \ - history.h \ - rlstdc.h \ - rltypedefs.h \ - histlib.h \ - xmalloc.h - $(CC) -c $(CFLAGS) $(INCPATH) -o history.o history.c - -histsearch.o: histsearch.c config.h \ - ansi_stdlib.h \ - history.h \ - rlstdc.h \ - rltypedefs.h \ - histlib.h - $(CC) -c $(CFLAGS) $(INCPATH) -o histsearch.o histsearch.c - -input.o: input.c config.h \ - ansi_stdlib.h \ - rldefs.h \ - rlstdc.h \ - rlconf.h \ - rlmbutil.h \ - readline.h \ - rltypedefs.h \ - keymaps.h \ - chardefs.h \ - tilde.h \ - rlprivate.h \ - posixjmp.h \ - rlshell.h \ - xmalloc.h - $(CC) -c $(CFLAGS) $(INCPATH) -o input.o input.c - -isearch.o: isearch.c config.h \ - ansi_stdlib.h \ - rldefs.h \ - rlstdc.h \ - rlconf.h \ - rlmbutil.h \ - readline.h \ - rltypedefs.h \ - keymaps.h \ - chardefs.h \ - tilde.h \ - history.h \ - rlprivate.h \ - posixjmp.h \ - xmalloc.h - $(CC) -c $(CFLAGS) $(INCPATH) -o isearch.o isearch.c - -keymaps.o: keymaps.c config.h \ - ansi_stdlib.h \ - readline.h \ - rlstdc.h \ - rltypedefs.h \ - keymaps.h \ - chardefs.h \ - tilde.h \ - rlconf.h \ - emacs_keymap.c \ - vi_keymap.c \ - xmalloc.h - $(CC) -c $(CFLAGS) $(INCPATH) -o keymaps.o keymaps.c - -kill.o: kill.c config.h \ - ansi_stdlib.h \ - rldefs.h \ - rlstdc.h \ - rlconf.h \ - readline.h \ - rltypedefs.h \ - keymaps.h \ - chardefs.h \ - tilde.h \ - history.h \ - rlprivate.h \ - posixjmp.h \ - xmalloc.h - $(CC) -c $(CFLAGS) $(INCPATH) -o kill.o kill.c - -macro.o: macro.c config.h \ - ansi_stdlib.h \ - rldefs.h \ - rlstdc.h \ - rlconf.h \ - readline.h \ - rltypedefs.h \ - keymaps.h \ - chardefs.h \ - tilde.h \ - history.h \ - rlprivate.h \ - posixjmp.h \ - xmalloc.h - $(CC) -c $(CFLAGS) $(INCPATH) -o macro.o macro.c - -mbutil.o: mbutil.c config.h \ - posixjmp.h \ - ansi_stdlib.h \ - rldefs.h \ - rlstdc.h \ - rlconf.h \ - rlmbutil.h \ - readline.h \ - rltypedefs.h \ - keymaps.h \ - chardefs.h \ - tilde.h \ - rlprivate.h \ - xmalloc.h - $(CC) -c $(CFLAGS) $(INCPATH) -o mbutil.o mbutil.c - -misc.o: misc.c config.h \ - ansi_stdlib.h \ - rldefs.h \ - rlstdc.h \ - rlconf.h \ - rlmbutil.h \ - readline.h \ - rltypedefs.h \ - keymaps.h \ - chardefs.h \ - tilde.h \ - history.h \ - rlprivate.h \ - posixjmp.h \ - rlshell.h \ - xmalloc.h - $(CC) -c $(CFLAGS) $(INCPATH) -o misc.o misc.c - -nls.o: nls.c config.h \ - ansi_stdlib.h \ - rldefs.h \ - rlstdc.h \ - rlconf.h \ - readline.h \ - rltypedefs.h \ - keymaps.h \ - chardefs.h \ - tilde.h \ - rlshell.h \ - rlprivate.h \ - posixjmp.h - $(CC) -c $(CFLAGS) $(INCPATH) -o nls.o nls.c - -parens.o: parens.c rlconf.h \ - config.h \ - readline.h \ - rlstdc.h \ - rltypedefs.h \ - keymaps.h \ - chardefs.h \ - tilde.h \ - rlprivate.h \ - posixjmp.h - $(CC) -c $(CFLAGS) $(INCPATH) -o parens.o parens.c - -readline.o: readline.c config.h \ - posixstat.h \ - ansi_stdlib.h \ - posixjmp.h \ - rldefs.h \ - rlstdc.h \ - rlconf.h \ - rlmbutil.h \ - readline.h \ - rltypedefs.h \ - keymaps.h \ - chardefs.h \ - tilde.h \ - history.h \ - rlprivate.h \ - rlshell.h \ - xmalloc.h - $(CC) -c $(CFLAGS) $(INCPATH) -o readline.o readline.c - -rltty.o: rltty.c config.h \ - rldefs.h \ - rlstdc.h \ - rlconf.h \ - rltty.h \ - rlwinsize.h \ - readline.h \ - rltypedefs.h \ - keymaps.h \ - chardefs.h \ - tilde.h \ - rlprivate.h \ - posixjmp.h - $(CC) -c $(CFLAGS) $(INCPATH) -o rltty.o rltty.c - -savestring.o: savestring.c config.h \ - xmalloc.h \ - rlstdc.h - $(CC) -c $(CFLAGS) $(INCPATH) -o savestring.o savestring.c - -search.o: search.c config.h \ - ansi_stdlib.h \ - rldefs.h \ - rlstdc.h \ - rlconf.h \ - rlmbutil.h \ - readline.h \ - rltypedefs.h \ - keymaps.h \ - chardefs.h \ - tilde.h \ - history.h \ - rlprivate.h \ - posixjmp.h \ - xmalloc.h - $(CC) -c $(CFLAGS) $(INCPATH) -o search.o search.c - -shell.o: shell.c config.h \ - ansi_stdlib.h \ - rlstdc.h \ - rlshell.h \ - xmalloc.h - $(CC) -c $(CFLAGS) $(INCPATH) -o shell.o shell.c - -signals.o: signals.c config.h \ - rldefs.h \ - rlstdc.h \ - rlconf.h \ - readline.h \ - rltypedefs.h \ - keymaps.h \ - chardefs.h \ - tilde.h \ - history.h \ - rlprivate.h \ - posixjmp.h - $(CC) -c $(CFLAGS) $(INCPATH) -o signals.o signals.c - -termcap.o: termcap.c config.h - $(CC) -c $(CFLAGS) $(INCPATH) -o termcap.o termcap.c - -terminal.o: terminal.c config.h \ - posixstat.h \ - ansi_stdlib.h \ - rldefs.h \ - rlstdc.h \ - rlconf.h \ - rltty.h \ - rlwinsize.h \ - tcap.h \ - termcap.h \ - readline.h \ - rltypedefs.h \ - keymaps.h \ - chardefs.h \ - tilde.h \ - history.h \ - rlprivate.h \ - posixjmp.h \ - rlshell.h \ - xmalloc.h - $(CC) -c $(CFLAGS) $(INCPATH) -o terminal.o terminal.c - -text.o: text.c config.h \ - ansi_stdlib.h \ - rldefs.h \ - rlstdc.h \ - rlconf.h \ - rlmbutil.h \ - readline.h \ - rltypedefs.h \ - keymaps.h \ - chardefs.h \ - tilde.h \ - history.h \ - rlprivate.h \ - posixjmp.h \ - rlshell.h \ - xmalloc.h - $(CC) -c $(CFLAGS) $(INCPATH) -o text.o text.c - -tilde.o: tilde.c config.h \ - ansi_stdlib.h \ - tilde.h \ - xmalloc.h \ - rlstdc.h - $(CC) -c $(CFLAGS) $(INCPATH) -o tilde.o tilde.c - -tparam.o: tparam.c config.h - $(CC) -c $(CFLAGS) $(INCPATH) -o tparam.o tparam.c - -undo.o: undo.c config.h \ - ansi_stdlib.h \ - rldefs.h \ - rlstdc.h \ - rlconf.h \ - readline.h \ - rltypedefs.h \ - keymaps.h \ - chardefs.h \ - tilde.h \ - history.h \ - rlprivate.h \ - posixjmp.h \ - xmalloc.h - $(CC) -c $(CFLAGS) $(INCPATH) -o undo.o undo.c - -util.o: util.c config.h \ - posixjmp.h \ - ansi_stdlib.h \ - rldefs.h \ - rlstdc.h \ - rlconf.h \ - rlmbutil.h \ - readline.h \ - rltypedefs.h \ - keymaps.h \ - chardefs.h \ - tilde.h \ - rlprivate.h \ - xmalloc.h - $(CC) -c $(CFLAGS) $(INCPATH) -o util.o util.c - -version.o: version.c - $(CC) -c $(CFLAGS) $(INCPATH) -o version.o version.c - -vi_mode.o: vi_mode.c rlconf.h \ - config.h \ - ansi_stdlib.h \ - rldefs.h \ - rlstdc.h \ - rlmbutil.h \ - readline.h \ - rltypedefs.h \ - keymaps.h \ - chardefs.h \ - tilde.h \ - history.h \ - rlprivate.h \ - posixjmp.h \ - xmalloc.h - $(CC) -c $(CFLAGS) $(INCPATH) -o vi_mode.o vi_mode.c - -xmalloc.o: xmalloc.c config.h \ - ansi_stdlib.h \ - xmalloc.h \ - rlstdc.h - $(CC) -c $(CFLAGS) $(INCPATH) -o xmalloc.o xmalloc.c - -####### Install - -install: FORCE - uninstall: clean -FORCE: - -####### Clean - clean: - /bin/rm -f *.o $(TARGET) - + $(DEL_FILE) *.o $(TARGET) + +# Dependencies +bind.o : bind.c ansi_stdlib.h config.h history.h posixjmp.h posixstat.h rlconf.h rldefs.h rlprivate.h rlshell.h rlstdc.h rltypedefs.h xmalloc.h +callback.o : callback.c ansi_stdlib.h config.h posixjmp.h rlconf.h rldefs.h rlprivate.h rlstdc.h xmalloc.h +compat.o : compat.c rlstdc.h rltypedefs.h +complete.o : complete.c ansi_stdlib.h config.h posixdir.h posixjmp.h posixstat.h rlconf.h rldefs.h rlmbutil.h rlprivate.h rlstdc.h xmalloc.h +display.o : display.c ansi_stdlib.h config.h history.h posixjmp.h posixstat.h rlconf.h rldefs.h rlmbutil.h rlprivate.h rlstdc.h rltty.h rltypedefs.h rlwinsize.h tcap.h xmalloc.h +emacs_keymap.o : emacs_keymap.c +funmap.o : funmap.c ansi_stdlib.h rlconf.h rlstdc.h xmalloc.h +histexpand.o : histexpand.c ansi_stdlib.h histlib.h history.h rlmbutil.h rlshell.h rlstdc.h rltypedefs.h xmalloc.h +histfile.o : histfile.c ansi_stdlib.h histlib.h history.h posixstat.h rlshell.h rlstdc.h rltypedefs.h xmalloc.h +history.o : history.c ansi_stdlib.h histlib.h history.h rlstdc.h rltypedefs.h xmalloc.h +histsearch.o : histsearch.c ansi_stdlib.h histlib.h history.h rlstdc.h rltypedefs.h +input.o : input.c ansi_stdlib.h config.h posixjmp.h rlconf.h rldefs.h rlmbutil.h rlprivate.h rlshell.h rlstdc.h xmalloc.h +isearch.o : isearch.c ansi_stdlib.h config.h history.h posixjmp.h rlconf.h rldefs.h rlmbutil.h rlprivate.h rlstdc.h rltypedefs.h xmalloc.h +keymaps.o : keymaps.c ansi_stdlib.h emacs_keymap.c rlconf.h rlstdc.h vi_keymap.c xmalloc.h +kill.o : kill.c ansi_stdlib.h config.h history.h posixjmp.h rlconf.h rldefs.h rlprivate.h rlstdc.h rltypedefs.h xmalloc.h +macro.o : macro.c ansi_stdlib.h config.h history.h posixjmp.h rlconf.h rldefs.h rlprivate.h rlstdc.h rltypedefs.h xmalloc.h +mbutil.o : mbutil.c ansi_stdlib.h config.h posixjmp.h rlconf.h rldefs.h rlmbutil.h rlprivate.h rlstdc.h xmalloc.h +misc.o : misc.c ansi_stdlib.h config.h history.h posixjmp.h rlconf.h rldefs.h rlmbutil.h rlprivate.h rlshell.h rlstdc.h rltypedefs.h xmalloc.h +nls.o : nls.c ansi_stdlib.h config.h posixjmp.h rlconf.h rldefs.h rlprivate.h rlshell.h rlstdc.h +parens.o : parens.c posixjmp.h rlconf.h rlprivate.h rlstdc.h +readline.o : readline.c ansi_stdlib.h config.h history.h posixjmp.h posixstat.h rlconf.h rldefs.h rlmbutil.h rlprivate.h rlshell.h rlstdc.h rltypedefs.h xmalloc.h +rltty.o : rltty.c config.h posixjmp.h rlconf.h rldefs.h rlprivate.h rlstdc.h rltty.h rlwinsize.h +savestring.o : savestring.c rlstdc.h xmalloc.h +search.o : search.c ansi_stdlib.h config.h history.h posixjmp.h rlconf.h rldefs.h rlmbutil.h rlprivate.h rlstdc.h rltypedefs.h xmalloc.h +shell.o : shell.c ansi_stdlib.h rlshell.h rlstdc.h xmalloc.h +signals.o : signals.c config.h history.h posixjmp.h rlconf.h rldefs.h rlprivate.h rlstdc.h rltypedefs.h +termcap.o : termcap.c +terminal.o : terminal.c ansi_stdlib.h config.h history.h posixjmp.h posixstat.h rlconf.h rldefs.h rlprivate.h rlshell.h rlstdc.h rltty.h rltypedefs.h rlwinsize.h tcap.h xmalloc.h +text.o : text.c ansi_stdlib.h config.h history.h posixjmp.h rlconf.h rldefs.h rlmbutil.h rlprivate.h rlshell.h rlstdc.h rltypedefs.h xmalloc.h +tilde.o : tilde.c ansi_stdlib.h rlstdc.h tilde.h xmalloc.h +tparam.o : tparam.c +undo.o : undo.c ansi_stdlib.h config.h history.h posixjmp.h rlconf.h rldefs.h rlprivate.h rlstdc.h rltypedefs.h xmalloc.h +util.o : util.c ansi_stdlib.h config.h posixjmp.h rlconf.h rldefs.h rlmbutil.h rlprivate.h rlstdc.h xmalloc.h +version.o : version.c +vi_keymap.o : vi_keymap.c +vi_mode.o : vi_mode.c ansi_stdlib.h config.h history.h posixjmp.h rlconf.h rldefs.h rlmbutil.h rlprivate.h rlstdc.h rltypedefs.h xmalloc.h +xmalloc.o : xmalloc.c ansi_stdlib.h rlstdc.h xmalloc.h diff --git a/src/xdrfile/Makefile b/src/xdrfile/Makefile index 860b99f7fb..fb2f8f49a1 100644 --- a/src/xdrfile/Makefile +++ b/src/xdrfile/Makefile @@ -1,18 +1,13 @@ -include ../../config.h -# Variables +# Makefile for xdrfile bundled with cpptraj +include xdrfile.config.h -AR = ar cqs -DEL_FILE = /bin/rm -f +# Variables TARGET = libxdrfile.a -# General rules - # Source files - XDR_SOURCES=xdrfile.c xdr_seek.c xdrfile_trr.c xdrfile_xtc.c # Objects - OBJECTS=$(XDR_SOURCES:.c=.o) # Specific rules @@ -23,15 +18,12 @@ $(TARGET): $(OBJECTS) -$(DEL_FILE) $(TARGET) $(AR) $(TARGET) $(OBJECTS) -.c.o: - $(CC) $(CFLAGS) -c -o $@ $< - test: $(TARGET) xdrfile_c_test.o $(CC) -o a.out xdrfile_c_test.c $(TARGET) -lm ./a.out clean: - /bin/rm -f *.o $(TARGET) a.out test.trr test.xtc test.xdr + $(DEL_FILE) *.o $(TARGET) a.out test.trr test.xtc test.xdr uninstall: clean diff --git a/src/xdrfile/xdrfile.c b/src/xdrfile/xdrfile.c index d375449e4d..1d322a89ec 100644 --- a/src/xdrfile/xdrfile.c +++ b/src/xdrfile/xdrfile.c @@ -782,10 +782,12 @@ xdrfile_decompress_coord_float(float *ptr, XDRFILE* xfp) { int minint[3], maxint[3], *lip; - int smallidx, minidx, maxidx; + int smallidx; + //int minidx, maxidx; unsigned sizeint[3], sizesmall[3], bitsizeint[3], size3; int k, *buf1, *buf2, lsize, flag; - int smallnum, smaller, larger, i, is_smaller, run; + int smallnum, smaller, i, is_smaller, run; + //int larger; float *lfp, inv_precision; int tmp, *thiscoord, prevcoord[3]; unsigned int bitsize; @@ -794,6 +796,8 @@ xdrfile_decompress_coord_float(float *ptr, bitsizeint[0] = 0; bitsizeint[1] = 0; bitsizeint[2] = 0; + lsize = 0; + smallidx = 0; if(xfp==NULL || ptr==NULL) { fprintf(stderr, "(xdrfile error) Null pointer issue\n"); @@ -866,14 +870,14 @@ xdrfile_decompress_coord_float(float *ptr, return 0; /* not sure what has happened here or why we return... */ } tmp=smallidx+8; - maxidx = (LASTIDX<tmp) ? LASTIDX : tmp; - minidx = maxidx - 8; /* often this equal smallidx */ + //maxidx = (LASTIDX<tmp) ? LASTIDX : tmp; + //minidx = maxidx - 8; /* often this equal smallidx */ tmp = smallidx-1; tmp = (FIRSTIDX>tmp) ? FIRSTIDX : tmp; smaller = magicints[tmp] / 2; smallnum = magicints[smallidx] / 2; sizesmall[0] = sizesmall[1] = sizesmall[2] = magicints[smallidx] ; - larger = magicints[maxidx]; + //larger = magicints[maxidx]; /* buf2[0] holds the length in bytes */ @@ -1013,7 +1017,7 @@ xdrfile_compress_coord_float(float *ptr, float *lfp, lf; int tmp, tmpsum, *thiscoord, prevcoord[3]; unsigned int tmpcoord[30]; - int errval=1; + //int errval=1; unsigned int bitsize; if(xfp==NULL) @@ -1023,6 +1027,9 @@ xdrfile_compress_coord_float(float *ptr, bitsizeint[0] = 0; bitsizeint[1] = 0; bitsizeint[2] = 0; + prevcoord[0] = 0; + prevcoord[1] = 0; + prevcoord[2] = 0; if(size3>xfp->buf1size) { @@ -1074,7 +1081,7 @@ xdrfile_compress_coord_float(float *ptr, { /* scaling would cause overflow */ fprintf(stderr, "(xdrfile error) Internal overflow compressing coordinates.\n"); - errval=0; + //errval=0; } lint1 = lf; if (lint1 < minint[0]) minint[0] = lint1; @@ -1089,7 +1096,7 @@ xdrfile_compress_coord_float(float *ptr, { /* scaling would cause overflow */ fprintf(stderr, "(xdrfile error) Internal overflow compressing coordinates.\n"); - errval=0; + //errval=0; } lint2 = lf; if (lint2 < minint[1]) minint[1] = lint2; @@ -1102,7 +1109,7 @@ xdrfile_compress_coord_float(float *ptr, lf = *lfp * precision - 0.5; if (fabs(lf) > INT_MAX-2) { - errval=0; + //errval=0; } lint3 = lf; if (lint3 < minint[2]) minint[2] = lint3; @@ -1126,7 +1133,7 @@ xdrfile_compress_coord_float(float *ptr, * would cause overflow */ fprintf(stderr, "(xdrfile error) Internal overflow compressing coordinates.\n"); - errval=0; + //errval=0; } sizeint[0] = maxint[0] - minint[0]+1; sizeint[1] = maxint[1] - minint[1]+1; @@ -1299,10 +1306,11 @@ xdrfile_decompress_coord_double(double *ptr, XDRFILE* xfp) { int minint[3], maxint[3], *lip; - int smallidx, minidx, maxidx; + int smallidx; + //int larger, minidx, maxidx; unsigned sizeint[3], sizesmall[3], bitsizeint[3], size3; int k, *buf1, *buf2, lsize, flag; - int smallnum, smaller, larger, i, is_smaller, run; + int smallnum, smaller, i, is_smaller, run; double *lfp, inv_precision; float float_prec, tmpdata[30]; int tmp, *thiscoord, prevcoord[3]; @@ -1311,6 +1319,8 @@ xdrfile_decompress_coord_double(double *ptr, bitsizeint[0] = 0; bitsizeint[1] = 0; bitsizeint[2] = 0; + lsize = 0; + smallidx = 0; if(xfp==NULL || ptr==NULL) return -1; @@ -1380,14 +1390,14 @@ xdrfile_decompress_coord_double(double *ptr, if (xdrfile_read_int(&smallidx,1,xfp) == 0) return 0; tmp=smallidx+8; - maxidx = (LASTIDX<tmp) ? LASTIDX : tmp; - minidx = maxidx - 8; /* often this equal smallidx */ + //maxidx = (LASTIDX<tmp) ? LASTIDX : tmp; + //minidx = maxidx - 8; /* often this equal smallidx */ tmp = smallidx-1; tmp = (FIRSTIDX>tmp) ? FIRSTIDX : tmp; smaller = magicints[tmp] / 2; smallnum = magicints[smallidx] / 2; sizesmall[0] = sizesmall[1] = sizesmall[2] = magicints[smallidx] ; - larger = magicints[maxidx]; + //larger = magicints[maxidx]; /* buf2[0] holds the length in bytes */ @@ -1506,12 +1516,15 @@ xdrfile_compress_coord_double(double *ptr, float float_prec, lf,tmpdata[30]; int tmp, tmpsum, *thiscoord, prevcoord[3]; unsigned int tmpcoord[30]; - int errval=1; + //int errval=1; unsigned int bitsize; bitsizeint[0] = 0; bitsizeint[1] = 0; bitsizeint[2] = 0; + prevcoord[0] = 0; + prevcoord[1] = 0; + prevcoord[2] = 0; if(xfp==NULL) return -1; @@ -1563,7 +1576,7 @@ xdrfile_compress_coord_double(double *ptr, if (fabs(lf) > INT_MAX-2) { /* scaling would cause overflow */ fprintf(stderr, "(xdrfile error) Internal overflow compressing coordinates.\n"); - errval=0; + //errval=0; } lint1 = lf; if (lint1 < minint[0]) minint[0] = lint1; @@ -1577,7 +1590,7 @@ xdrfile_compress_coord_double(double *ptr, if (fabs(lf) > INT_MAX-2) { /* scaling would cause overflow */ fprintf(stderr, "(xdrfile error) Internal overflow compressing coordinates.\n"); - errval=0; + //errval=0; } lint2 = lf; if (lint2 < minint[1]) minint[1] = lint2; @@ -1589,7 +1602,7 @@ xdrfile_compress_coord_double(double *ptr, else lf = (float)*lfp * float_prec - 0.5; if (fabs(lf) > INT_MAX-2) { - errval=0; + //errval=0; } lint3 = lf; if (lint3 < minint[2]) minint[2] = lint3; @@ -1613,7 +1626,7 @@ xdrfile_compress_coord_double(double *ptr, * would cause overflow */ fprintf(stderr, "(xdrfile error) Internal overflow compressing coordinates.\n"); - errval=0; + //errval=0; } sizeint[0] = maxint[0] - minint[0]+1; sizeint[1] = maxint[1] - minint[1]+1; @@ -2167,7 +2180,7 @@ xdr_ntohl(int x) static int xdr_int (XDR *xdrs, int *ip) { - int32_t i32; + int32_t i32 = 0; switch (xdrs->x_op) { @@ -2347,7 +2360,7 @@ static int xdr_string (XDR *xdrs, char **cpp, unsigned int maxsize) { char *sp = *cpp; /* sp is the actual string pointer */ - unsigned int size; + unsigned int size = 0; unsigned int nodesize; /* diff --git a/src/xdrfile/xdrfile_trr.c b/src/xdrfile/xdrfile_trr.c index e1ff912658..3976dfc98b 100644 --- a/src/xdrfile/xdrfile_trr.c +++ b/src/xdrfile/xdrfile_trr.c @@ -497,6 +497,7 @@ int read_trr_nframes(char *fn, unsigned long *nframes) { rvec *x; *nframes = 0; + natoms = 0; read_trr_natoms(fn, &natoms); x = malloc(natoms * sizeof(*x)); @@ -504,13 +505,12 @@ int read_trr_nframes(char *fn, unsigned long *nframes) { if (NULL == xd) return exdrFILENOTFOUND; - do { - result = read_trr(xd, natoms, &step, &time, &lambda, - box, x, NULL, NULL); - if (exdrENDOFFILE != result) { - (*nframes)++; - } - } while (result == exdrOK); + do { + result = read_trr(xd, natoms, &step, &time, &lambda, box, x, NULL, NULL); + if (exdrENDOFFILE != result) { + (*nframes)++; + } + } while (result == exdrOK); xdrfile_close(xd); free(x); diff --git a/src/xdrfile/xdrfile_xtc.c b/src/xdrfile/xdrfile_xtc.c index c0c5bdbbda..910d4e294b 100644 --- a/src/xdrfile/xdrfile_xtc.c +++ b/src/xdrfile/xdrfile_xtc.c @@ -63,7 +63,7 @@ static int xtc_header(XDRFILE *xd,int *natoms,int *step,float *time,mybool bRead static int xtc_coord(XDRFILE *xd,int *natoms,matrix box,rvec *x,float *prec, mybool bRead) { - int i,j,result; + int result; /* box */ result = xdrfile_read_float(box[0],DIM*DIM,xd); @@ -119,12 +119,12 @@ int read_xtc_nframes(char* fn, unsigned long *nframes) { if (NULL == xd) return exdrFILENOTFOUND; - do { - result = read_xtc(xd, natoms, &step, &time, box, x, &prec); - if (exdrENDOFFILE != result) { - (*nframes)++; - } - } while (result == exdrOK); + do { + result = read_xtc(xd, natoms, &step, &time, box, x, &prec); + if (exdrENDOFFILE != result) { + (*nframes)++; + } + } while (result == exdrOK); xdrfile_close(xd); free(x); diff --git a/test/Makefile b/test/Makefile index 8406e62b0c..8e84533746 100644 --- a/test/Makefile +++ b/test/Makefile @@ -199,9 +199,6 @@ test.gist: test.readdata: @-cd Test_ReadData && ./RunTest.sh $(OPT) -test.ambpdb: - @-cd Test_AmbPDB && ./RunTest.sh $(OPT) - test.systemVF: @-cd Test_systemVF && ./RunTest.sh $(OPT) @@ -509,7 +506,6 @@ COMPLETETESTS=test.general \ test.pairdist \ test.readdata \ test.gist \ - test.ambpdb \ test.systemVF \ test.atomiccorr \ test.autocorr \ diff --git a/test/MasterTest.sh b/test/MasterTest.sh index 1156d9f2cd..423fe76802 100644 --- a/test/MasterTest.sh +++ b/test/MasterTest.sh @@ -7,7 +7,6 @@ # ----- Environment variables ------------------------------ # Binary locations # CPPTRAJ : Set to cpptraj binary being tested. -# AMBPDB : Set to ambpdb binary being tested. # VALGRIND : Set to 'valgrind' command if memory check requested. # CPPTRAJ_DIFF : Command used to check for test differences. # CPPTRAJ_DACDIF : Set if testing inside AmberTools. @@ -593,7 +592,6 @@ Help() { echo " -d : Run CPPTRAJ with global debug level 4." echo " -debug <#> : Run CPPTRAJ with global debug level #." echo " -cpptraj <file> : Use CPPTRAJ binary <file>." - echo " -ambpdb <file> : Use AMBPDB binary <file>." echo " -profile : Profile results with 'gprof' (requires special compile)." echo "Important environment variables" echo " DO_PARALLEL : MPI run command." @@ -634,7 +632,6 @@ CmdLineOpts() { "-debug" ) shift ; CPPTRAJ_DEBUG="$CPPTRAJ_DEBUG -debug $1" ;; "-nodacdif" ) USE_DACDIF=0 ;; "-cpptraj" ) shift ; export CPPTRAJ=$1 ; echo "Using cpptraj: $CPPTRAJ" ;; - "-ambpdb" ) shift ; export AMBPDB=$1 ; echo "Using ambpdb: $AMBPDB" ;; "--target" ) shift ; TARGET=$1 ;; "-profile" ) CPPTRAJ_PROFILE=1 ; echo "Performing gnu profiling during EndTest." ;; "-h" | "--help" ) Help ; exit 0 ;; @@ -785,14 +782,6 @@ SetBinaries() { fi export VALGRIND fi - # Determine location of AMBPDB if not specified. - if [ -z "$AMBPDB" ] ; then - AMBPDB=$DIRPREFIX/bin/ambpdb - if [ ! -f "$AMBPDB" ] ; then - echo "Warning: AMBPDB not present." - fi - export AMBPDB - fi # Determine location of ndiff.awk if [ -z "$CPPTRAJ_NDIFF" ] ; then if [ $STANDALONE -eq 0 ] ; then @@ -830,9 +819,6 @@ SetBinaries() { # Report binary details if [ $STANDALONE -eq 1 ] ; then ls -l $CPPTRAJ - if [ ! -z "$AMBPDB" ] ; then - ls -l $AMBPDB - fi fi # Print DEBUG info if [ ! -z "$CPPTRAJ_DEBUG" ] ; then @@ -842,7 +828,6 @@ SetBinaries() { echo "DEBUG: AmberTools mode." fi echo "DEBUG: CPPTRAJ: $CPPTRAJ" - echo "DEBUG: AMBPDB: $AMBPDB" echo "DEBUG: NPROC: $CPPTRAJ_NPROC" echo "DEBUG: NCDUMP: $CPPTRAJ_NCDUMP" echo "DEBUG: DIFFCMD: $CPPTRAJ_DIFF" @@ -853,7 +838,6 @@ SetBinaries() { # directories the path needs to be incremented one dir up. if [ "$PATH_TYPE" = 'relative' -a "$CPPTRAJ_TEST_MODE" = 'master' ] ; then CPPTRAJ="../$CPPTRAJ" - AMBPDB="../$AMBPDB" CPPTRAJ_NDIFF="../$CPPTRAJ_NDIFF" CPPTRAJ_NPROC="../$CPPTRAJ_NPROC" fi @@ -915,7 +899,6 @@ TestLibrary() { # nthreads <#> : Test requires multiples of <#> MPI threads in parallel # threads <#> : Test requires exactly <#> threads in parallel. # amberhome : Test requires AMBERHOME set -# ambpdb : Test requires ambpdb # inpath <name> : Test requires <name> to be in PATH # testos <os> : Test requires specific OS # file <file> : Test requires specified file @@ -994,12 +977,6 @@ CheckEnv() { ((CHECKERR++)) fi ;; - 'ambpdb' ) - if [ ! -f "$AMBPDB" ] ; then - echo " $DESCRIP requires AMBPDB." - ((CHECKERR++)) - fi - ;; 'inpath' ) shift if [ -z "`which $1`" ] ; then diff --git a/test/Test_AmbPDB/RunTest.sh b/test/Test_AmbPDB/RunTest.sh deleted file mode 100755 index d2ca82c97b..0000000000 --- a/test/Test_AmbPDB/RunTest.sh +++ /dev/null @@ -1,37 +0,0 @@ -#!/bin/bash - -. ../MasterTest.sh - -CleanFiles out.pdb out1.pdb out.mol2 fabi.pdb - -TESTNAME='AMBPDB tests' -Requires ambpdb - -echo "" -echo " AMBPDB: AmbPDB tests." -if [ -z "$CPPTRAJ_DACDIF" ] ; then - echo " AMBPDB: AmbPDB tests." >> $CPPTRAJ_TEST_RESULTS -fi - -$VALGRIND $AMBPDB -p ../tz2.parm7 -c ../tz2.rst7 > out.pdb 2> $CPPTRAJ_ERROR -DoTest out.pdb.save out.pdb - -$VALGRIND $AMBPDB -p ../tz2.parm7 < ../tz2.rst7 > out1.pdb 2>> $CPPTRAJ_ERROR -DoTest out.pdb.save out1.pdb - -UNITNAME='Convert NetCDF to PDB with ambpdb' -CheckFor netcdf -if [ $? -eq 0 ] ; then - $VALGRIND $AMBPDB -p ../FtuFabI.NAD.TCL.parm7 -c ../FtuFabI.NAD.TCL.nc -bres > fabi.pdb 2>> $CPPTRAJ_ERROR - DoTest fabi.pdb.save fabi.pdb -fi - -UNITNAME='Amber to SYBYL atom type conversion test' -CheckFor amberhome -if [ $? -eq 0 ] ; then - $VALGRIND $AMBPDB -p ../tz2.parm7 -mol2 -sybyl < ../tz2.rst7 > out.mol2 2>> $CPPTRAJ_ERROR - DoTest ../Test_Mol2/test2.mol2.save out.mol2 -fi - -EndTest -exit 0 diff --git a/test/Test_AmbPDB/fabi.pdb.save b/test/Test_AmbPDB/fabi.pdb.save deleted file mode 100644 index 384d459768..0000000000 --- a/test/Test_AmbPDB/fabi.pdb.save +++ /dev/null @@ -1,4242 +0,0 @@ -CRYST1 86.206 86.206 86.206 109.47 109.47 109.47 P 1 1 -ATOM 1 N MET 1 13.071 11.069 -59.314 1.00 0.00 N -ATOM 2 H1 MET 1 13.503 11.675 -58.631 1.00 0.00 H -ATOM 3 H2 MET 1 13.814 10.730 -59.908 1.00 0.00 H -ATOM 4 H3 MET 1 12.714 10.339 -58.714 1.00 0.00 H -ATOM 5 CA MET 1 11.916 11.673 -59.985 1.00 0.00 C -ATOM 6 HA MET 1 11.159 11.717 -59.202 1.00 0.00 H -ATOM 7 CB MET 1 12.291 13.000 -60.617 1.00 0.00 C -ATOM 8 HB2 MET 1 12.635 13.769 -59.926 1.00 0.00 H -ATOM 9 HB3 MET 1 12.969 12.909 -61.466 1.00 0.00 H -ATOM 10 CG MET 1 11.016 13.571 -61.136 1.00 0.00 C -ATOM 11 HG2 MET 1 11.173 14.524 -61.641 1.00 0.00 H -ATOM 12 HG3 MET 1 10.676 12.944 -61.961 1.00 0.00 H -ATOM 13 SD MET 1 9.617 13.798 -59.927 1.00 0.00 S -ATOM 14 CE MET 1 8.905 15.416 -60.310 1.00 0.00 C -ATOM 15 HE1 MET 1 8.840 15.465 -61.397 1.00 0.00 H -ATOM 16 HE2 MET 1 7.861 15.426 -59.998 1.00 0.00 H -ATOM 17 HE3 MET 1 9.499 16.187 -59.818 1.00 0.00 H -ATOM 18 C MET 1 11.402 10.702 -61.064 1.00 0.00 C -ATOM 19 O MET 1 12.261 10.366 -61.918 1.00 0.00 O -ATOM 20 N GLY 2 10.175 10.242 -61.080 1.00 0.00 N -ATOM 21 H GLY 2 9.945 9.676 -61.885 1.00 0.00 H -ATOM 22 CA GLY 2 9.096 10.457 -60.135 1.00 0.00 C -ATOM 23 HA2 GLY 2 9.577 10.603 -59.169 1.00 0.00 H -ATOM 24 HA3 GLY 2 8.466 11.312 -60.382 1.00 0.00 H -ATOM 25 C GLY 2 8.180 9.202 -60.195 1.00 0.00 C -ATOM 26 O GLY 2 7.973 8.581 -61.227 1.00 0.00 O -ATOM 27 N PHE 3 7.439 8.980 -59.087 1.00 0.00 N -ATOM 28 H PHE 3 7.586 9.566 -58.277 1.00 0.00 H -ATOM 29 CA PHE 3 6.299 8.073 -59.026 1.00 0.00 C -ATOM 30 HA PHE 3 5.878 8.017 -60.030 1.00 0.00 H -ATOM 31 CB PHE 3 6.666 6.654 -58.549 1.00 0.00 C -ATOM 32 HB2 PHE 3 5.714 6.125 -58.502 1.00 0.00 H -ATOM 33 HB3 PHE 3 7.326 6.119 -59.232 1.00 0.00 H -ATOM 34 CG PHE 3 7.373 6.625 -57.227 1.00 0.00 C -ATOM 35 CD1 PHE 3 6.604 6.429 -56.048 1.00 0.00 C -ATOM 36 HD1 PHE 3 5.545 6.218 -56.035 1.00 0.00 H -ATOM 37 CE1 PHE 3 7.295 6.342 -54.825 1.00 0.00 C -ATOM 38 HE1 PHE 3 6.790 6.093 -53.904 1.00 0.00 H -ATOM 39 CZ PHE 3 8.668 6.554 -54.713 1.00 0.00 C -ATOM 40 HZ PHE 3 9.049 6.568 -53.702 1.00 0.00 H -ATOM 41 CE2 PHE 3 9.355 6.849 -55.865 1.00 0.00 C -ATOM 42 HE2 PHE 3 10.423 6.901 -55.711 1.00 0.00 H -ATOM 43 CD2 PHE 3 8.732 6.890 -57.086 1.00 0.00 C -ATOM 44 HD2 PHE 3 9.390 7.067 -57.924 1.00 0.00 H -ATOM 45 C PHE 3 5.137 8.682 -58.280 1.00 0.00 C -ATOM 46 O PHE 3 4.176 7.976 -57.936 1.00 0.00 O -ATOM 47 N LEU 4 5.177 9.969 -57.900 1.00 0.00 N -ATOM 48 H LEU 4 5.961 10.499 -58.253 1.00 0.00 H -ATOM 49 CA LEU 4 4.172 10.477 -56.953 1.00 0.00 C -ATOM 50 HA LEU 4 3.507 9.657 -56.680 1.00 0.00 H -ATOM 51 CB LEU 4 4.864 10.838 -55.581 1.00 0.00 C -ATOM 52 HB2 LEU 4 5.775 11.426 -55.687 1.00 0.00 H -ATOM 53 HB3 LEU 4 4.082 11.426 -55.099 1.00 0.00 H -ATOM 54 CG LEU 4 5.305 9.647 -54.667 1.00 0.00 C -ATOM 55 HG LEU 4 6.107 9.162 -55.225 1.00 0.00 H -ATOM 56 CD1 LEU 4 5.955 10.129 -53.409 1.00 0.00 C -ATOM 57 HD11 LEU 4 5.269 10.779 -52.866 1.00 0.00 H -ATOM 58 HD12 LEU 4 6.283 9.273 -52.818 1.00 0.00 H -ATOM 59 HD13 LEU 4 6.797 10.771 -53.668 1.00 0.00 H -ATOM 60 CD2 LEU 4 4.139 8.758 -54.184 1.00 0.00 C -ATOM 61 HD21 LEU 4 4.497 7.881 -53.646 1.00 0.00 H -ATOM 62 HD22 LEU 4 3.433 9.270 -53.529 1.00 0.00 H -ATOM 63 HD23 LEU 4 3.650 8.482 -55.118 1.00 0.00 H -ATOM 64 C LEU 4 3.312 11.612 -57.545 1.00 0.00 C -ATOM 65 O LEU 4 2.602 12.302 -56.825 1.00 0.00 O -ATOM 66 N ALA 5 3.356 11.765 -58.856 1.00 0.00 N -ATOM 67 H ALA 5 4.000 11.176 -59.364 1.00 0.00 H -ATOM 68 CA ALA 5 2.679 12.710 -59.664 1.00 0.00 C -ATOM 69 HA ALA 5 3.116 13.669 -59.389 1.00 0.00 H -ATOM 70 CB ALA 5 2.864 12.386 -61.157 1.00 0.00 C -ATOM 71 HB1 ALA 5 3.883 12.553 -61.508 1.00 0.00 H -ATOM 72 HB2 ALA 5 2.548 11.368 -61.386 1.00 0.00 H -ATOM 73 HB3 ALA 5 2.315 13.023 -61.851 1.00 0.00 H -ATOM 74 C ALA 5 1.222 12.858 -59.232 1.00 0.00 C -ATOM 75 O ALA 5 0.447 11.915 -59.239 1.00 0.00 O -ATOM 76 N GLY 6 0.746 14.073 -58.827 1.00 0.00 N -ATOM 77 H GLY 6 1.354 14.880 -58.819 1.00 0.00 H -ATOM 78 CA GLY 6 -0.643 14.213 -58.465 1.00 0.00 C -ATOM 79 HA2 GLY 6 -0.782 15.272 -58.246 1.00 0.00 H -ATOM 80 HA3 GLY 6 -1.364 13.883 -59.212 1.00 0.00 H -ATOM 81 C GLY 6 -1.099 13.468 -57.268 1.00 0.00 C -ATOM 82 O GLY 6 -2.277 13.537 -56.960 1.00 0.00 O -ATOM 83 N LYS 7 -0.202 12.830 -56.409 1.00 0.00 N -ATOM 84 H LYS 7 0.785 12.773 -56.613 1.00 0.00 H -ATOM 85 CA LYS 7 -0.682 12.227 -55.122 1.00 0.00 C -ATOM 86 HA LYS 7 -1.716 11.883 -55.140 1.00 0.00 H -ATOM 87 CB LYS 7 0.318 11.142 -54.659 1.00 0.00 C -ATOM 88 HB2 LYS 7 1.310 11.594 -54.674 1.00 0.00 H -ATOM 89 HB3 LYS 7 -0.011 10.778 -53.686 1.00 0.00 H -ATOM 90 CG LYS 7 0.240 9.927 -55.593 1.00 0.00 C -ATOM 91 HG2 LYS 7 0.322 10.231 -56.636 1.00 0.00 H -ATOM 92 HG3 LYS 7 1.064 9.255 -55.353 1.00 0.00 H -ATOM 93 CD LYS 7 -1.173 9.235 -55.650 1.00 0.00 C -ATOM 94 HD2 LYS 7 -1.544 8.870 -54.691 1.00 0.00 H -ATOM 95 HD3 LYS 7 -1.782 10.046 -56.051 1.00 0.00 H -ATOM 96 CE LYS 7 -1.280 8.019 -56.655 1.00 0.00 C -ATOM 97 HE2 LYS 7 -0.363 7.435 -56.580 1.00 0.00 H -ATOM 98 HE3 LYS 7 -2.101 7.324 -56.479 1.00 0.00 H -ATOM 99 NZ LYS 7 -1.286 8.597 -58.104 1.00 0.00 N -ATOM 100 HZ1 LYS 7 -1.325 7.930 -58.862 1.00 0.00 H -ATOM 101 HZ2 LYS 7 -1.999 9.301 -58.226 1.00 0.00 H -ATOM 102 HZ3 LYS 7 -0.322 8.862 -58.245 1.00 0.00 H -ATOM 103 C LYS 7 -0.741 13.405 -54.102 1.00 0.00 C -ATOM 104 O LYS 7 0.031 14.374 -54.091 1.00 0.00 O -ATOM 105 N LYS 8 -1.710 13.336 -53.163 1.00 0.00 N -ATOM 106 H LYS 8 -2.296 12.521 -53.058 1.00 0.00 H -ATOM 107 CA LYS 8 -1.989 14.455 -52.221 1.00 0.00 C -ATOM 108 HA LYS 8 -1.401 15.341 -52.460 1.00 0.00 H -ATOM 109 CB LYS 8 -3.411 14.947 -52.331 1.00 0.00 C -ATOM 110 HB2 LYS 8 -4.092 14.192 -51.936 1.00 0.00 H -ATOM 111 HB3 LYS 8 -3.532 15.829 -51.702 1.00 0.00 H -ATOM 112 CG LYS 8 -3.784 15.269 -53.799 1.00 0.00 C -ATOM 113 HG2 LYS 8 -3.667 14.339 -54.355 1.00 0.00 H -ATOM 114 HG3 LYS 8 -4.825 15.586 -53.863 1.00 0.00 H -ATOM 115 CD LYS 8 -2.940 16.336 -54.438 1.00 0.00 C -ATOM 116 HD2 LYS 8 -2.707 17.149 -53.751 1.00 0.00 H -ATOM 117 HD3 LYS 8 -1.984 15.909 -54.740 1.00 0.00 H -ATOM 118 CE LYS 8 -3.703 16.761 -55.687 1.00 0.00 C -ATOM 119 HE2 LYS 8 -3.701 15.936 -56.398 1.00 0.00 H -ATOM 120 HE3 LYS 8 -4.722 17.014 -55.394 1.00 0.00 H -ATOM 121 NZ LYS 8 -3.024 17.965 -56.291 1.00 0.00 N -ATOM 122 HZ1 LYS 8 -3.498 18.311 -57.113 1.00 0.00 H -ATOM 123 HZ2 LYS 8 -3.088 18.642 -55.545 1.00 0.00 H -ATOM 124 HZ3 LYS 8 -2.086 17.922 -56.662 1.00 0.00 H -ATOM 125 C LYS 8 -1.730 13.969 -50.859 1.00 0.00 C -ATOM 126 O LYS 8 -2.331 12.993 -50.426 1.00 0.00 O -ATOM 127 N ILE 9 -0.819 14.605 -50.138 1.00 0.00 N -ATOM 128 H ILE 9 -0.375 15.440 -50.490 1.00 0.00 H -ATOM 129 CA ILE 9 -0.214 14.032 -48.911 1.00 0.00 C -ATOM 130 HA ILE 9 -0.851 13.190 -48.639 1.00 0.00 H -ATOM 131 CB ILE 9 1.178 13.439 -49.232 1.00 0.00 C -ATOM 132 HB ILE 9 1.702 14.301 -49.646 1.00 0.00 H -ATOM 133 CG2 ILE 9 1.948 12.904 -48.012 1.00 0.00 C -ATOM 134 HG21 ILE 9 1.460 12.011 -47.622 1.00 0.00 H -ATOM 135 HG22 ILE 9 2.948 12.627 -48.347 1.00 0.00 H -ATOM 136 HG23 ILE 9 2.113 13.598 -47.188 1.00 0.00 H -ATOM 137 CG1 ILE 9 1.104 12.484 -50.447 1.00 0.00 C -ATOM 138 HG12 ILE 9 0.268 11.793 -50.335 1.00 0.00 H -ATOM 139 HG13 ILE 9 0.784 13.012 -51.344 1.00 0.00 H -ATOM 140 CD1 ILE 9 2.374 11.731 -50.780 1.00 0.00 C -ATOM 141 HD11 ILE 9 2.303 11.519 -51.847 1.00 0.00 H -ATOM 142 HD12 ILE 9 3.196 12.409 -50.549 1.00 0.00 H -ATOM 143 HD13 ILE 9 2.534 10.848 -50.161 1.00 0.00 H -ATOM 144 C ILE 9 -0.129 14.994 -47.702 1.00 0.00 C -ATOM 145 O ILE 9 0.481 16.043 -47.846 1.00 0.00 O -ATOM 146 N LEU 10 -0.723 14.680 -46.526 1.00 0.00 N -ATOM 147 H LEU 10 -1.065 13.730 -46.491 1.00 0.00 H -ATOM 148 CA LEU 10 -0.627 15.527 -45.296 1.00 0.00 C -ATOM 149 HA LEU 10 -0.516 16.582 -45.547 1.00 0.00 H -ATOM 150 CB LEU 10 -2.064 15.556 -44.678 1.00 0.00 C -ATOM 151 HB2 LEU 10 -2.715 16.102 -45.361 1.00 0.00 H -ATOM 152 HB3 LEU 10 -2.432 14.530 -44.640 1.00 0.00 H -ATOM 153 CG LEU 10 -2.131 16.153 -43.236 1.00 0.00 C -ATOM 154 HG LEU 10 -1.417 15.642 -42.591 1.00 0.00 H -ATOM 155 CD1 LEU 10 -1.707 17.643 -43.280 1.00 0.00 C -ATOM 156 HD11 LEU 10 -2.101 18.073 -44.201 1.00 0.00 H -ATOM 157 HD12 LEU 10 -2.148 18.218 -42.465 1.00 0.00 H -ATOM 158 HD13 LEU 10 -0.622 17.697 -43.375 1.00 0.00 H -ATOM 159 CD2 LEU 10 -3.513 16.086 -42.610 1.00 0.00 C -ATOM 160 HD21 LEU 10 -3.377 16.377 -41.568 1.00 0.00 H -ATOM 161 HD22 LEU 10 -4.216 16.801 -43.038 1.00 0.00 H -ATOM 162 HD23 LEU 10 -3.954 15.091 -42.667 1.00 0.00 H -ATOM 163 C LEU 10 0.559 15.120 -44.417 1.00 0.00 C -ATOM 164 O LEU 10 0.685 13.919 -44.025 1.00 0.00 O -ATOM 165 N ILE 11 1.383 16.068 -43.990 1.00 0.00 N -ATOM 166 H ILE 11 1.292 16.945 -44.483 1.00 0.00 H -ATOM 167 CA ILE 11 2.529 15.884 -43.148 1.00 0.00 C -ATOM 168 HA ILE 11 2.703 14.826 -42.953 1.00 0.00 H -ATOM 169 CB ILE 11 3.811 16.430 -43.767 1.00 0.00 C -ATOM 170 HB ILE 11 3.570 17.461 -44.026 1.00 0.00 H -ATOM 171 CG2 ILE 11 4.994 16.564 -42.824 1.00 0.00 C -ATOM 172 HG21 ILE 11 5.872 16.877 -43.391 1.00 0.00 H -ATOM 173 HG22 ILE 11 4.737 17.265 -42.030 1.00 0.00 H -ATOM 174 HG23 ILE 11 5.379 15.626 -42.425 1.00 0.00 H -ATOM 175 CG1 ILE 11 4.117 15.844 -45.122 1.00 0.00 C -ATOM 176 HG12 ILE 11 3.249 15.952 -45.772 1.00 0.00 H -ATOM 177 HG13 ILE 11 4.870 16.420 -45.661 1.00 0.00 H -ATOM 178 CD1 ILE 11 4.590 14.352 -45.216 1.00 0.00 C -ATOM 179 HD11 ILE 11 4.804 14.005 -46.227 1.00 0.00 H -ATOM 180 HD12 ILE 11 5.457 14.228 -44.568 1.00 0.00 H -ATOM 181 HD13 ILE 11 3.786 13.772 -44.763 1.00 0.00 H -ATOM 182 C ILE 11 2.276 16.453 -41.752 1.00 0.00 C -ATOM 183 O ILE 11 1.889 17.602 -41.643 1.00 0.00 O -ATOM 184 N THR 12 2.600 15.659 -40.713 1.00 0.00 N -ATOM 185 H THR 12 2.962 14.732 -40.885 1.00 0.00 H -ATOM 186 CA THR 12 2.487 16.060 -39.339 1.00 0.00 C -ATOM 187 HA THR 12 2.019 17.044 -39.358 1.00 0.00 H -ATOM 188 CB THR 12 1.503 15.187 -38.546 1.00 0.00 C -ATOM 189 HB THR 12 1.437 15.598 -37.538 1.00 0.00 H -ATOM 190 CG2 THR 12 0.082 15.023 -39.115 1.00 0.00 C -ATOM 191 HG21 THR 12 -0.038 14.900 -40.192 1.00 0.00 H -ATOM 192 HG22 THR 12 -0.504 14.264 -38.597 1.00 0.00 H -ATOM 193 HG23 THR 12 -0.457 15.960 -38.977 1.00 0.00 H -ATOM 194 OG1 THR 12 2.097 13.902 -38.457 1.00 0.00 O -ATOM 195 HG1 THR 12 1.665 13.364 -39.125 1.00 0.00 H -ATOM 196 C THR 12 3.844 16.087 -38.643 1.00 0.00 C -ATOM 197 O THR 12 4.768 15.412 -39.040 1.00 0.00 O -ATOM 198 N GLY 13 4.025 16.792 -37.520 1.00 0.00 N -ATOM 199 H GLY 13 3.279 17.405 -37.225 1.00 0.00 H -ATOM 200 CA GLY 13 5.322 16.723 -36.742 1.00 0.00 C -ATOM 201 HA2 GLY 13 5.148 17.225 -35.790 1.00 0.00 H -ATOM 202 HA3 GLY 13 5.497 15.660 -36.576 1.00 0.00 H -ATOM 203 C GLY 13 6.535 17.534 -37.362 1.00 0.00 C -ATOM 204 O GLY 13 7.684 17.183 -37.080 1.00 0.00 O -ATOM 205 N LEU 14 6.314 18.531 -38.164 1.00 0.00 N -ATOM 206 H LEU 14 5.331 18.744 -38.256 1.00 0.00 H -ATOM 207 CA LEU 14 7.282 19.494 -38.666 1.00 0.00 C -ATOM 208 HA LEU 14 8.288 19.077 -38.605 1.00 0.00 H -ATOM 209 CB LEU 14 6.881 19.827 -40.123 1.00 0.00 C -ATOM 210 HB2 LEU 14 6.759 18.893 -40.671 1.00 0.00 H -ATOM 211 HB3 LEU 14 5.881 20.260 -40.125 1.00 0.00 H -ATOM 212 CG LEU 14 7.913 20.737 -40.846 1.00 0.00 C -ATOM 213 HG LEU 14 8.074 21.593 -40.191 1.00 0.00 H -ATOM 214 CD1 LEU 14 9.265 20.020 -41.062 1.00 0.00 C -ATOM 215 HD11 LEU 14 9.138 19.178 -41.743 1.00 0.00 H -ATOM 216 HD12 LEU 14 9.961 20.755 -41.468 1.00 0.00 H -ATOM 217 HD13 LEU 14 9.704 19.626 -40.146 1.00 0.00 H -ATOM 218 CD2 LEU 14 7.318 21.231 -42.128 1.00 0.00 C -ATOM 219 HD21 LEU 14 7.378 20.339 -42.752 1.00 0.00 H -ATOM 220 HD22 LEU 14 6.294 21.603 -42.114 1.00 0.00 H -ATOM 221 HD23 LEU 14 7.952 21.977 -42.607 1.00 0.00 H -ATOM 222 C LEU 14 7.282 20.859 -37.874 1.00 0.00 C -ATOM 223 O LEU 14 6.268 21.577 -37.789 1.00 0.00 O -ATOM 224 N LEU 15 8.400 21.092 -37.245 1.00 0.00 N -ATOM 225 H LEU 15 9.134 20.405 -37.336 1.00 0.00 H -ATOM 226 CA LEU 15 8.867 22.358 -36.620 1.00 0.00 C -ATOM 227 HA LEU 15 8.260 23.189 -36.980 1.00 0.00 H -ATOM 228 CB LEU 15 8.804 22.362 -35.146 1.00 0.00 C -ATOM 229 HB2 LEU 15 9.631 21.790 -34.724 1.00 0.00 H -ATOM 230 HB3 LEU 15 8.967 23.403 -34.869 1.00 0.00 H -ATOM 231 CG LEU 15 7.402 22.073 -34.578 1.00 0.00 C -ATOM 232 HG LEU 15 7.039 21.098 -34.904 1.00 0.00 H -ATOM 233 CD1 LEU 15 7.436 22.028 -33.002 1.00 0.00 C -ATOM 234 HD11 LEU 15 7.899 22.941 -32.627 1.00 0.00 H -ATOM 235 HD12 LEU 15 6.396 21.855 -32.726 1.00 0.00 H -ATOM 236 HD13 LEU 15 7.994 21.131 -32.731 1.00 0.00 H -ATOM 237 CD2 LEU 15 6.379 23.183 -34.938 1.00 0.00 C -ATOM 238 HD21 LEU 15 6.207 23.198 -36.014 1.00 0.00 H -ATOM 239 HD22 LEU 15 5.404 23.163 -34.452 1.00 0.00 H -ATOM 240 HD23 LEU 15 6.693 24.187 -34.653 1.00 0.00 H -ATOM 241 C LEU 15 10.293 22.932 -36.987 1.00 0.00 C -ATOM 242 O LEU 15 10.572 24.113 -36.885 1.00 0.00 O -ATOM 243 N SER 16 11.209 22.034 -37.486 1.00 0.00 N -ATOM 244 H SER 16 10.886 21.078 -37.531 1.00 0.00 H -ATOM 245 CA SER 16 12.527 22.383 -38.003 1.00 0.00 C -ATOM 246 HA SER 16 12.440 23.450 -38.207 1.00 0.00 H -ATOM 247 CB SER 16 13.606 22.209 -36.880 1.00 0.00 C -ATOM 248 HB2 SER 16 14.619 22.529 -37.123 1.00 0.00 H -ATOM 249 HB3 SER 16 13.296 22.602 -35.911 1.00 0.00 H -ATOM 250 OG SER 16 13.708 20.781 -36.668 1.00 0.00 O -ATOM 251 HG SER 16 13.406 20.605 -35.774 1.00 0.00 H -ATOM 252 C SER 16 12.964 21.605 -39.226 1.00 0.00 C -ATOM 253 O SER 16 12.347 20.647 -39.742 1.00 0.00 O -ATOM 254 N ASN 17 14.101 22.052 -39.726 1.00 0.00 N -ATOM 255 H ASN 17 14.507 22.832 -39.229 1.00 0.00 H -ATOM 256 CA ASN 17 14.801 21.353 -40.847 1.00 0.00 C -ATOM 257 HA ASN 17 14.023 20.929 -41.481 1.00 0.00 H -ATOM 258 CB ASN 17 15.543 22.342 -41.739 1.00 0.00 C -ATOM 259 HB2 ASN 17 15.898 22.005 -42.713 1.00 0.00 H -ATOM 260 HB3 ASN 17 14.860 23.165 -41.948 1.00 0.00 H -ATOM 261 CG ASN 17 16.795 22.993 -41.158 1.00 0.00 C -ATOM 262 OD1 ASN 17 17.315 22.791 -40.052 1.00 0.00 O -ATOM 263 ND2 ASN 17 17.416 23.839 -41.929 1.00 0.00 N -ATOM 264 HD21 ASN 17 18.200 24.361 -41.563 1.00 0.00 H -ATOM 265 HD22 ASN 17 17.039 24.134 -42.818 1.00 0.00 H -ATOM 266 C ASN 17 15.645 20.125 -40.456 1.00 0.00 C -ATOM 267 O ASN 17 15.741 19.220 -41.255 1.00 0.00 O -ATOM 268 N LYS 18 16.087 20.060 -39.199 1.00 0.00 N -ATOM 269 H LYS 18 15.834 20.803 -38.563 1.00 0.00 H -ATOM 270 CA LYS 18 16.724 18.824 -38.613 1.00 0.00 C -ATOM 271 HA LYS 18 17.256 18.317 -39.417 1.00 0.00 H -ATOM 272 CB LYS 18 17.875 19.292 -37.681 1.00 0.00 C -ATOM 273 HB2 LYS 18 18.538 19.947 -38.246 1.00 0.00 H -ATOM 274 HB3 LYS 18 17.557 19.853 -36.802 1.00 0.00 H -ATOM 275 CG LYS 18 18.714 18.096 -37.311 1.00 0.00 C -ATOM 276 HG2 LYS 18 18.128 17.539 -36.580 1.00 0.00 H -ATOM 277 HG3 LYS 18 18.915 17.517 -38.212 1.00 0.00 H -ATOM 278 CD LYS 18 19.869 18.556 -36.494 1.00 0.00 C -ATOM 279 HD2 LYS 18 20.357 19.416 -36.952 1.00 0.00 H -ATOM 280 HD3 LYS 18 19.409 18.904 -35.569 1.00 0.00 H -ATOM 281 CE LYS 18 20.955 17.576 -36.160 1.00 0.00 C -ATOM 282 HE2 LYS 18 20.603 16.865 -35.414 1.00 0.00 H -ATOM 283 HE3 LYS 18 21.305 17.126 -37.089 1.00 0.00 H -ATOM 284 NZ LYS 18 22.083 18.165 -35.459 1.00 0.00 N -ATOM 285 HZ1 LYS 18 21.829 18.767 -34.688 1.00 0.00 H -ATOM 286 HZ2 LYS 18 22.720 17.407 -35.262 1.00 0.00 H -ATOM 287 HZ3 LYS 18 22.608 18.710 -36.128 1.00 0.00 H -ATOM 288 C LYS 18 15.648 17.970 -37.981 1.00 0.00 C -ATOM 289 O LYS 18 15.581 17.765 -36.808 1.00 0.00 O -ATOM 290 N SER 19 14.715 17.510 -38.853 1.00 0.00 N -ATOM 291 H SER 19 14.817 17.721 -39.835 1.00 0.00 H -ATOM 292 CA SER 19 13.623 16.686 -38.476 1.00 0.00 C -ATOM 293 HA SER 19 13.828 16.229 -37.508 1.00 0.00 H -ATOM 294 CB SER 19 12.348 17.521 -38.428 1.00 0.00 C -ATOM 295 HB2 SER 19 11.636 16.924 -37.858 1.00 0.00 H -ATOM 296 HB3 SER 19 12.596 18.358 -37.775 1.00 0.00 H -ATOM 297 OG SER 19 11.808 18.074 -39.614 1.00 0.00 O -ATOM 298 HG SER 19 11.951 19.023 -39.574 1.00 0.00 H -ATOM 299 C SER 19 13.393 15.479 -39.390 1.00 0.00 C -ATOM 300 O SER 19 13.728 15.363 -40.551 1.00 0.00 O -ATOM 301 N ILE 20 12.763 14.427 -38.816 1.00 0.00 N -ATOM 302 H ILE 20 12.474 14.494 -37.850 1.00 0.00 H -ATOM 303 CA ILE 20 12.445 13.277 -39.582 1.00 0.00 C -ATOM 304 HA ILE 20 13.333 13.026 -40.161 1.00 0.00 H -ATOM 305 CB ILE 20 12.103 12.175 -38.623 1.00 0.00 C -ATOM 306 HB ILE 20 11.617 12.650 -37.771 1.00 0.00 H -ATOM 307 CG2 ILE 20 11.170 11.070 -39.289 1.00 0.00 C -ATOM 308 HG21 ILE 20 11.737 10.598 -40.092 1.00 0.00 H -ATOM 309 HG22 ILE 20 10.775 10.356 -38.567 1.00 0.00 H -ATOM 310 HG23 ILE 20 10.268 11.456 -39.763 1.00 0.00 H -ATOM 311 CG1 ILE 20 13.234 11.422 -37.959 1.00 0.00 C -ATOM 312 HG12 ILE 20 13.549 10.599 -38.601 1.00 0.00 H -ATOM 313 HG13 ILE 20 14.107 12.067 -37.867 1.00 0.00 H -ATOM 314 CD1 ILE 20 12.819 10.945 -36.536 1.00 0.00 C -ATOM 315 HD11 ILE 20 11.833 10.481 -36.499 1.00 0.00 H -ATOM 316 HD12 ILE 20 13.486 10.108 -36.326 1.00 0.00 H -ATOM 317 HD13 ILE 20 12.969 11.699 -35.764 1.00 0.00 H -ATOM 318 C ILE 20 11.280 13.733 -40.608 1.00 0.00 C -ATOM 319 O ILE 20 11.254 13.313 -41.768 1.00 0.00 O -ATOM 320 N ALA 21 10.340 14.609 -40.224 1.00 0.00 N -ATOM 321 H ALA 21 10.458 14.981 -39.292 1.00 0.00 H -ATOM 322 CA ALA 21 9.266 15.026 -41.073 1.00 0.00 C -ATOM 323 HA ALA 21 8.734 14.171 -41.491 1.00 0.00 H -ATOM 324 CB ALA 21 8.284 15.962 -40.292 1.00 0.00 C -ATOM 325 HB1 ALA 21 7.381 16.017 -40.900 1.00 0.00 H -ATOM 326 HB2 ALA 21 8.030 15.514 -39.331 1.00 0.00 H -ATOM 327 HB3 ALA 21 8.677 16.962 -40.107 1.00 0.00 H -ATOM 328 C ALA 21 9.748 15.783 -42.281 1.00 0.00 C -ATOM 329 O ALA 21 9.248 15.635 -43.394 1.00 0.00 O -ATOM 330 N TYR 22 10.832 16.624 -42.163 1.00 0.00 N -ATOM 331 H TYR 22 11.069 16.798 -41.197 1.00 0.00 H -ATOM 332 CA TYR 22 11.390 17.356 -43.300 1.00 0.00 C -ATOM 333 HA TYR 22 10.598 17.739 -43.943 1.00 0.00 H -ATOM 334 CB TYR 22 12.097 18.592 -42.744 1.00 0.00 C -ATOM 335 HB2 TYR 22 11.458 19.300 -42.216 1.00 0.00 H -ATOM 336 HB3 TYR 22 12.840 18.275 -42.012 1.00 0.00 H -ATOM 337 CG TYR 22 12.877 19.392 -43.837 1.00 0.00 C -ATOM 338 CD1 TYR 22 12.308 20.532 -44.377 1.00 0.00 C -ATOM 339 HD1 TYR 22 11.316 20.854 -44.099 1.00 0.00 H -ATOM 340 CE1 TYR 22 13.049 21.342 -45.267 1.00 0.00 C -ATOM 341 HE1 TYR 22 12.548 22.177 -45.733 1.00 0.00 H -ATOM 342 CZ TYR 22 14.417 21.020 -45.540 1.00 0.00 C -ATOM 343 OH TYR 22 15.203 21.824 -46.297 1.00 0.00 O -ATOM 344 HH TYR 22 14.765 22.499 -46.820 1.00 0.00 H -ATOM 345 CE2 TYR 22 15.005 19.990 -44.819 1.00 0.00 C -ATOM 346 HE2 TYR 22 16.059 19.799 -44.957 1.00 0.00 H -ATOM 347 CD2 TYR 22 14.255 19.147 -43.948 1.00 0.00 C -ATOM 348 HD2 TYR 22 14.717 18.299 -43.464 1.00 0.00 H -ATOM 349 C TYR 22 12.192 16.400 -44.223 1.00 0.00 C -ATOM 350 O TYR 22 12.182 16.579 -45.440 1.00 0.00 O -ATOM 351 N GLY 23 12.813 15.322 -43.763 1.00 0.00 N -ATOM 352 H GLY 23 12.834 15.028 -42.797 1.00 0.00 H -ATOM 353 CA GLY 23 13.214 14.209 -44.642 1.00 0.00 C -ATOM 354 HA2 GLY 23 13.954 14.444 -45.407 1.00 0.00 H -ATOM 355 HA3 GLY 23 13.791 13.490 -44.060 1.00 0.00 H -ATOM 356 C GLY 23 12.139 13.396 -45.348 1.00 0.00 C -ATOM 357 O GLY 23 12.280 13.117 -46.534 1.00 0.00 O -ATOM 358 N ILE 24 10.981 13.127 -44.684 1.00 0.00 N -ATOM 359 H ILE 24 10.866 13.284 -43.693 1.00 0.00 H -ATOM 360 CA ILE 24 9.796 12.689 -45.494 1.00 0.00 C -ATOM 361 HA ILE 24 9.920 11.754 -46.039 1.00 0.00 H -ATOM 362 CB ILE 24 8.674 12.337 -44.473 1.00 0.00 C -ATOM 363 HB ILE 24 8.508 13.307 -44.003 1.00 0.00 H -ATOM 364 CG2 ILE 24 7.265 12.050 -45.127 1.00 0.00 C -ATOM 365 HG21 ILE 24 6.889 12.795 -45.828 1.00 0.00 H -ATOM 366 HG22 ILE 24 7.342 11.080 -45.617 1.00 0.00 H -ATOM 367 HG23 ILE 24 6.533 12.085 -44.321 1.00 0.00 H -ATOM 368 CG1 ILE 24 8.902 11.194 -43.429 1.00 0.00 C -ATOM 369 HG12 ILE 24 8.744 10.164 -43.746 1.00 0.00 H -ATOM 370 HG13 ILE 24 9.869 11.299 -42.937 1.00 0.00 H -ATOM 371 CD1 ILE 24 7.907 11.208 -42.278 1.00 0.00 C -ATOM 372 HD11 ILE 24 7.968 12.109 -41.668 1.00 0.00 H -ATOM 373 HD12 ILE 24 6.852 11.079 -42.524 1.00 0.00 H -ATOM 374 HD13 ILE 24 8.189 10.421 -41.579 1.00 0.00 H -ATOM 375 C ILE 24 9.221 13.725 -46.534 1.00 0.00 C -ATOM 376 O ILE 24 8.941 13.307 -47.612 1.00 0.00 O -ATOM 377 N ALA 25 9.197 15.064 -46.216 1.00 0.00 N -ATOM 378 H ALA 25 9.426 15.206 -45.243 1.00 0.00 H -ATOM 379 CA ALA 25 8.738 16.076 -47.221 1.00 0.00 C -ATOM 380 HA ALA 25 7.686 16.003 -47.497 1.00 0.00 H -ATOM 381 CB ALA 25 8.854 17.461 -46.553 1.00 0.00 C -ATOM 382 HB1 ALA 25 9.883 17.790 -46.410 1.00 0.00 H -ATOM 383 HB2 ALA 25 8.345 18.218 -47.150 1.00 0.00 H -ATOM 384 HB3 ALA 25 8.407 17.431 -45.559 1.00 0.00 H -ATOM 385 C ALA 25 9.683 15.978 -48.485 1.00 0.00 C -ATOM 386 O ALA 25 9.232 16.017 -49.648 1.00 0.00 O -ATOM 387 N LYS 26 11.030 16.092 -48.175 1.00 0.00 N -ATOM 388 H LYS 26 11.349 16.541 -47.329 1.00 0.00 H -ATOM 389 CA LYS 26 12.048 15.970 -49.180 1.00 0.00 C -ATOM 390 HA LYS 26 11.858 16.831 -49.821 1.00 0.00 H -ATOM 391 CB LYS 26 13.403 16.110 -48.446 1.00 0.00 C -ATOM 392 HB2 LYS 26 13.415 15.504 -47.540 1.00 0.00 H -ATOM 393 HB3 LYS 26 14.222 15.696 -49.034 1.00 0.00 H -ATOM 394 CG LYS 26 13.813 17.542 -48.072 1.00 0.00 C -ATOM 395 HG2 LYS 26 13.693 18.095 -49.004 1.00 0.00 H -ATOM 396 HG3 LYS 26 13.150 17.879 -47.276 1.00 0.00 H -ATOM 397 CD LYS 26 15.276 17.645 -47.477 1.00 0.00 C -ATOM 398 HD2 LYS 26 15.409 18.709 -47.279 1.00 0.00 H -ATOM 399 HD3 LYS 26 15.302 17.173 -46.495 1.00 0.00 H -ATOM 400 CE LYS 26 16.483 17.097 -48.222 1.00 0.00 C -ATOM 401 HE2 LYS 26 17.361 17.070 -47.577 1.00 0.00 H -ATOM 402 HE3 LYS 26 16.221 16.058 -48.421 1.00 0.00 H -ATOM 403 NZ LYS 26 16.797 17.773 -49.455 1.00 0.00 N -ATOM 404 HZ1 LYS 26 16.017 17.690 -50.092 1.00 0.00 H -ATOM 405 HZ2 LYS 26 17.031 18.751 -49.357 1.00 0.00 H -ATOM 406 HZ3 LYS 26 17.531 17.288 -49.951 1.00 0.00 H -ATOM 407 C LYS 26 12.030 14.732 -50.030 1.00 0.00 C -ATOM 408 O LYS 26 12.021 14.855 -51.269 1.00 0.00 O -ATOM 409 N ALA 27 11.824 13.562 -49.447 1.00 0.00 N -ATOM 410 H ALA 27 11.707 13.552 -48.444 1.00 0.00 H -ATOM 411 CA ALA 27 11.599 12.297 -50.176 1.00 0.00 C -ATOM 412 HA ALA 27 12.398 12.211 -50.914 1.00 0.00 H -ATOM 413 CB ALA 27 11.577 11.096 -49.237 1.00 0.00 C -ATOM 414 HB1 ALA 27 12.569 11.031 -48.789 1.00 0.00 H -ATOM 415 HB2 ALA 27 10.762 11.251 -48.531 1.00 0.00 H -ATOM 416 HB3 ALA 27 11.468 10.118 -49.706 1.00 0.00 H -ATOM 417 C ALA 27 10.311 12.299 -51.026 1.00 0.00 C -ATOM 418 O ALA 27 10.275 11.663 -52.059 1.00 0.00 O -ATOM 419 N MET 28 9.257 12.926 -50.496 1.00 0.00 N -ATOM 420 H MET 28 9.247 13.451 -49.633 1.00 0.00 H -ATOM 421 CA MET 28 8.020 12.970 -51.246 1.00 0.00 C -ATOM 422 HA MET 28 7.858 11.981 -51.673 1.00 0.00 H -ATOM 423 CB MET 28 6.784 13.325 -50.374 1.00 0.00 C -ATOM 424 HB2 MET 28 7.024 14.228 -49.812 1.00 0.00 H -ATOM 425 HB3 MET 28 5.864 13.543 -50.916 1.00 0.00 H -ATOM 426 CG MET 28 6.527 12.141 -49.383 1.00 0.00 C -ATOM 427 HG2 MET 28 7.450 11.766 -48.941 1.00 0.00 H -ATOM 428 HG3 MET 28 5.973 12.552 -48.540 1.00 0.00 H -ATOM 429 SD MET 28 5.734 10.645 -50.115 1.00 0.00 S -ATOM 430 CE MET 28 5.038 10.010 -48.589 1.00 0.00 C -ATOM 431 HE1 MET 28 4.775 8.969 -48.779 1.00 0.00 H -ATOM 432 HE2 MET 28 5.744 10.177 -47.775 1.00 0.00 H -ATOM 433 HE3 MET 28 4.163 10.593 -48.304 1.00 0.00 H -ATOM 434 C MET 28 8.065 14.007 -52.333 1.00 0.00 C -ATOM 435 O MET 28 7.610 13.774 -53.413 1.00 0.00 O -ATOM 436 N HIS 29 8.694 15.232 -52.165 1.00 0.00 N -ATOM 437 H HIS 29 9.201 15.417 -51.311 1.00 0.00 H -ATOM 438 CA HIS 29 8.768 16.261 -53.229 1.00 0.00 C -ATOM 439 HA HIS 29 7.772 16.528 -53.581 1.00 0.00 H -ATOM 440 CB HIS 29 9.269 17.523 -52.586 1.00 0.00 C -ATOM 441 HB2 HIS 29 8.735 17.862 -51.699 1.00 0.00 H -ATOM 442 HB3 HIS 29 10.289 17.340 -52.245 1.00 0.00 H -ATOM 443 CG HIS 29 9.292 18.710 -53.435 1.00 0.00 C -ATOM 444 ND1 HIS 29 8.307 19.013 -54.435 1.00 0.00 N -ATOM 445 CE1 HIS 29 8.798 20.094 -55.055 1.00 0.00 C -ATOM 446 HE1 HIS 29 8.229 20.460 -55.897 1.00 0.00 H -ATOM 447 NE2 HIS 29 10.063 20.473 -54.586 1.00 0.00 N -ATOM 448 HE2 HIS 29 10.557 21.283 -54.933 1.00 0.00 H -ATOM 449 CD2 HIS 29 10.406 19.540 -53.617 1.00 0.00 C -ATOM 450 HD2 HIS 29 11.324 19.432 -53.058 1.00 0.00 H -ATOM 451 C HIS 29 9.508 15.875 -54.518 1.00 0.00 C -ATOM 452 O HIS 29 8.909 15.859 -55.553 1.00 0.00 O -ATOM 453 N ARG 30 10.703 15.279 -54.361 1.00 0.00 N -ATOM 454 H ARG 30 11.094 15.294 -53.429 1.00 0.00 H -ATOM 455 CA ARG 30 11.602 14.786 -55.401 1.00 0.00 C -ATOM 456 HA ARG 30 11.773 15.582 -56.125 1.00 0.00 H -ATOM 457 CB ARG 30 12.946 14.491 -54.791 1.00 0.00 C -ATOM 458 HB2 ARG 30 13.570 14.182 -55.630 1.00 0.00 H -ATOM 459 HB3 ARG 30 13.293 15.382 -54.268 1.00 0.00 H -ATOM 460 CG ARG 30 12.961 13.200 -53.996 1.00 0.00 C -ATOM 461 HG2 ARG 30 12.415 13.474 -53.094 1.00 0.00 H -ATOM 462 HG3 ARG 30 12.588 12.396 -54.630 1.00 0.00 H -ATOM 463 CD ARG 30 14.294 12.666 -53.554 1.00 0.00 C -ATOM 464 HD2 ARG 30 14.866 12.296 -54.405 1.00 0.00 H -ATOM 465 HD3 ARG 30 14.872 13.505 -53.166 1.00 0.00 H -ATOM 466 NE ARG 30 14.157 11.567 -52.581 1.00 0.00 N -ATOM 467 HE ARG 30 13.274 11.084 -52.494 1.00 0.00 H -ATOM 468 CZ ARG 30 15.228 10.898 -52.273 1.00 0.00 C -ATOM 469 NH1 ARG 30 16.453 11.312 -52.379 1.00 0.00 N -ATOM 470 HH11 ARG 30 16.615 12.237 -52.752 1.00 0.00 H -ATOM 471 HH12 ARG 30 17.178 10.744 -51.964 1.00 0.00 H -ATOM 472 NH2 ARG 30 15.101 9.724 -51.715 1.00 0.00 N -ATOM 473 HH21 ARG 30 14.135 9.438 -51.641 1.00 0.00 H -ATOM 474 HH22 ARG 30 15.812 9.149 -51.286 1.00 0.00 H -ATOM 475 C ARG 30 11.131 13.592 -56.251 1.00 0.00 C -ATOM 476 O ARG 30 11.764 13.367 -57.271 1.00 0.00 O -ATOM 477 N GLU 31 10.022 12.992 -55.877 1.00 0.00 N -ATOM 478 H GLU 31 9.596 13.299 -55.013 1.00 0.00 H -ATOM 479 CA GLU 31 9.272 11.954 -56.618 1.00 0.00 C -ATOM 480 HA GLU 31 9.792 11.775 -57.559 1.00 0.00 H -ATOM 481 CB GLU 31 9.035 10.633 -55.833 1.00 0.00 C -ATOM 482 HB2 GLU 31 8.441 10.875 -54.951 1.00 0.00 H -ATOM 483 HB3 GLU 31 8.527 9.873 -56.427 1.00 0.00 H -ATOM 484 CG GLU 31 10.392 9.984 -55.432 1.00 0.00 C -ATOM 485 HG2 GLU 31 10.897 10.653 -54.736 1.00 0.00 H -ATOM 486 HG3 GLU 31 10.423 9.089 -54.810 1.00 0.00 H -ATOM 487 CD GLU 31 11.426 9.618 -56.513 1.00 0.00 C -ATOM 488 OE1 GLU 31 12.617 9.535 -56.192 1.00 0.00 O -ATOM 489 OE2 GLU 31 11.089 9.568 -57.733 1.00 0.00 O -ATOM 490 C GLU 31 7.968 12.579 -57.194 1.00 0.00 C -ATOM 491 O GLU 31 7.325 11.802 -57.949 1.00 0.00 O -ATOM 492 N GLY 32 7.586 13.793 -57.009 1.00 0.00 N -ATOM 493 H GLY 32 8.184 14.315 -56.384 1.00 0.00 H -ATOM 494 CA GLY 32 6.440 14.458 -57.596 1.00 0.00 C -ATOM 495 HA2 GLY 32 6.764 15.364 -58.109 1.00 0.00 H -ATOM 496 HA3 GLY 32 6.103 13.766 -58.368 1.00 0.00 H -ATOM 497 C GLY 32 5.124 14.643 -56.787 1.00 0.00 C -ATOM 498 O GLY 32 4.078 14.896 -57.328 1.00 0.00 O -ATOM 499 N ALA 33 5.172 14.325 -55.448 1.00 0.00 N -ATOM 500 H ALA 33 5.972 13.920 -54.983 1.00 0.00 H -ATOM 501 CA ALA 33 4.035 14.604 -54.502 1.00 0.00 C -ATOM 502 HA ALA 33 3.117 14.182 -54.910 1.00 0.00 H -ATOM 503 CB ALA 33 4.285 13.972 -53.139 1.00 0.00 C -ATOM 504 HB1 ALA 33 5.133 14.545 -52.764 1.00 0.00 H -ATOM 505 HB2 ALA 33 3.370 14.127 -52.567 1.00 0.00 H -ATOM 506 HB3 ALA 33 4.408 12.893 -53.235 1.00 0.00 H -ATOM 507 C ALA 33 3.722 16.063 -54.311 1.00 0.00 C -ATOM 508 O ALA 33 4.573 16.996 -54.513 1.00 0.00 O -ATOM 509 N GLU 34 2.470 16.332 -54.005 1.00 0.00 N -ATOM 510 H GLU 34 1.798 15.583 -54.101 1.00 0.00 H -ATOM 511 CA GLU 34 1.910 17.641 -53.600 1.00 0.00 C -ATOM 512 HA GLU 34 2.715 18.351 -53.789 1.00 0.00 H -ATOM 513 CB GLU 34 0.678 17.964 -54.378 1.00 0.00 C -ATOM 514 HB2 GLU 34 0.934 17.706 -55.406 1.00 0.00 H -ATOM 515 HB3 GLU 34 -0.159 17.382 -53.991 1.00 0.00 H -ATOM 516 CG GLU 34 0.309 19.442 -54.233 1.00 0.00 C -ATOM 517 HG2 GLU 34 0.294 19.722 -53.179 1.00 0.00 H -ATOM 518 HG3 GLU 34 1.043 20.118 -54.672 1.00 0.00 H -ATOM 519 CD GLU 34 -1.002 19.854 -55.007 1.00 0.00 C -ATOM 520 OE1 GLU 34 -2.057 19.902 -54.479 1.00 0.00 O -ATOM 521 OE2 GLU 34 -0.947 20.041 -56.235 1.00 0.00 O -ATOM 522 C GLU 34 1.567 17.504 -52.028 1.00 0.00 C -ATOM 523 O GLU 34 0.834 16.588 -51.613 1.00 0.00 O -ATOM 524 N LEU 35 2.048 18.432 -51.238 1.00 0.00 N -ATOM 525 H LEU 35 2.448 19.217 -51.732 1.00 0.00 H -ATOM 526 CA LEU 35 2.179 18.283 -49.787 1.00 0.00 C -ATOM 527 HA LEU 35 1.620 17.378 -49.550 1.00 0.00 H -ATOM 528 CB LEU 35 3.677 18.092 -49.405 1.00 0.00 C -ATOM 529 HB2 LEU 35 4.246 19.018 -49.487 1.00 0.00 H -ATOM 530 HB3 LEU 35 3.684 17.901 -48.332 1.00 0.00 H -ATOM 531 CG LEU 35 4.560 17.003 -49.983 1.00 0.00 C -ATOM 532 HG LEU 35 4.411 16.904 -51.058 1.00 0.00 H -ATOM 533 CD1 LEU 35 5.964 17.414 -49.694 1.00 0.00 C -ATOM 534 HD11 LEU 35 6.620 16.594 -49.986 1.00 0.00 H -ATOM 535 HD12 LEU 35 6.196 18.367 -50.169 1.00 0.00 H -ATOM 536 HD13 LEU 35 6.087 17.506 -48.614 1.00 0.00 H -ATOM 537 CD2 LEU 35 4.249 15.714 -49.196 1.00 0.00 C -ATOM 538 HD21 LEU 35 5.010 15.590 -48.426 1.00 0.00 H -ATOM 539 HD22 LEU 35 3.243 15.758 -48.777 1.00 0.00 H -ATOM 540 HD23 LEU 35 4.359 14.857 -49.860 1.00 0.00 H -ATOM 541 C LEU 35 1.512 19.467 -49.019 1.00 0.00 C -ATOM 542 O LEU 35 1.638 20.631 -49.421 1.00 0.00 O -ATOM 543 N ALA 36 0.796 19.125 -47.953 1.00 0.00 N -ATOM 544 H ALA 36 0.815 18.202 -47.543 1.00 0.00 H -ATOM 545 CA ALA 36 0.355 20.178 -47.036 1.00 0.00 C -ATOM 546 HA ALA 36 0.712 21.173 -47.301 1.00 0.00 H -ATOM 547 CB ALA 36 -1.190 20.136 -47.069 1.00 0.00 C -ATOM 548 HB1 ALA 36 -1.570 20.382 -46.077 1.00 0.00 H -ATOM 549 HB2 ALA 36 -1.571 20.931 -47.709 1.00 0.00 H -ATOM 550 HB3 ALA 36 -1.657 19.204 -47.389 1.00 0.00 H -ATOM 551 C ALA 36 0.905 19.762 -45.685 1.00 0.00 C -ATOM 552 O ALA 36 1.121 18.607 -45.355 1.00 0.00 O -ATOM 553 N PHE 37 1.063 20.793 -44.840 1.00 0.00 N -ATOM 554 H PHE 37 0.601 21.640 -45.141 1.00 0.00 H -ATOM 555 CA PHE 37 1.740 20.707 -43.552 1.00 0.00 C -ATOM 556 HA PHE 37 1.951 19.665 -43.311 1.00 0.00 H -ATOM 557 CB PHE 37 3.062 21.488 -43.583 1.00 0.00 C -ATOM 558 HB2 PHE 37 2.918 22.535 -43.850 1.00 0.00 H -ATOM 559 HB3 PHE 37 3.478 21.581 -42.580 1.00 0.00 H -ATOM 560 CG PHE 37 4.085 20.938 -44.508 1.00 0.00 C -ATOM 561 CD1 PHE 37 4.133 21.354 -45.826 1.00 0.00 C -ATOM 562 HD1 PHE 37 3.586 22.223 -46.162 1.00 0.00 H -ATOM 563 CE1 PHE 37 4.886 20.659 -46.811 1.00 0.00 C -ATOM 564 HE1 PHE 37 4.897 20.990 -47.839 1.00 0.00 H -ATOM 565 CZ PHE 37 5.737 19.640 -46.335 1.00 0.00 C -ATOM 566 HZ PHE 37 6.348 19.152 -47.080 1.00 0.00 H -ATOM 567 CE2 PHE 37 5.723 19.230 -44.986 1.00 0.00 C -ATOM 568 HE2 PHE 37 6.385 18.435 -44.675 1.00 0.00 H -ATOM 569 CD2 PHE 37 4.872 19.852 -44.064 1.00 0.00 C -ATOM 570 HD2 PHE 37 4.691 19.397 -43.102 1.00 0.00 H -ATOM 571 C PHE 37 0.800 21.198 -42.472 1.00 0.00 C -ATOM 572 O PHE 37 -0.122 22.024 -42.692 1.00 0.00 O -ATOM 573 N THR 38 1.030 20.789 -41.196 1.00 0.00 N -ATOM 574 H THR 38 1.744 20.088 -41.059 1.00 0.00 H -ATOM 575 CA THR 38 0.381 21.330 -40.013 1.00 0.00 C -ATOM 576 HA THR 38 -0.541 21.778 -40.385 1.00 0.00 H -ATOM 577 CB THR 38 -0.078 20.209 -39.091 1.00 0.00 C -ATOM 578 HB THR 38 -0.205 20.660 -38.107 1.00 0.00 H -ATOM 579 CG2 THR 38 -1.395 19.661 -39.541 1.00 0.00 C -ATOM 580 HG21 THR 38 -1.522 18.687 -39.068 1.00 0.00 H -ATOM 581 HG22 THR 38 -2.205 20.327 -39.240 1.00 0.00 H -ATOM 582 HG23 THR 38 -1.313 19.329 -40.576 1.00 0.00 H -ATOM 583 OG1 THR 38 0.807 19.020 -38.942 1.00 0.00 O -ATOM 584 HG1 THR 38 0.836 18.653 -38.055 1.00 0.00 H -ATOM 585 C THR 38 1.226 22.318 -39.224 1.00 0.00 C -ATOM 586 O THR 38 2.477 22.286 -39.400 1.00 0.00 O -ATOM 587 N TYR 39 0.622 23.174 -38.428 1.00 0.00 N -ATOM 588 H TYR 39 -0.384 23.256 -38.417 1.00 0.00 H -ATOM 589 CA TYR 39 1.270 23.926 -37.441 1.00 0.00 C -ATOM 590 HA TYR 39 2.333 23.688 -37.473 1.00 0.00 H -ATOM 591 CB TYR 39 1.413 25.376 -37.903 1.00 0.00 C -ATOM 592 HB2 TYR 39 2.214 25.943 -37.427 1.00 0.00 H -ATOM 593 HB3 TYR 39 1.639 25.217 -38.957 1.00 0.00 H -ATOM 594 CG TYR 39 0.121 26.196 -37.798 1.00 0.00 C -ATOM 595 CD1 TYR 39 -0.760 26.239 -38.859 1.00 0.00 C -ATOM 596 HD1 TYR 39 -0.806 25.456 -39.602 1.00 0.00 H -ATOM 597 CE1 TYR 39 -1.859 27.160 -38.753 1.00 0.00 C -ATOM 598 HE1 TYR 39 -2.714 27.127 -39.413 1.00 0.00 H -ATOM 599 CZ TYR 39 -1.991 28.056 -37.656 1.00 0.00 C -ATOM 600 OH TYR 39 -3.062 28.888 -37.544 1.00 0.00 O -ATOM 601 HH TYR 39 -3.573 28.802 -38.352 1.00 0.00 H -ATOM 602 CE2 TYR 39 -1.052 28.001 -36.658 1.00 0.00 C -ATOM 603 HE2 TYR 39 -1.095 28.780 -35.912 1.00 0.00 H -ATOM 604 CD2 TYR 39 -0.006 27.065 -36.703 1.00 0.00 C -ATOM 605 HD2 TYR 39 0.815 27.290 -36.039 1.00 0.00 H -ATOM 606 C TYR 39 0.773 23.811 -35.962 1.00 0.00 C -ATOM 607 O TYR 39 -0.375 23.557 -35.679 1.00 0.00 O -ATOM 608 N VAL 40 1.732 24.157 -35.098 1.00 0.00 N -ATOM 609 H VAL 40 2.522 24.574 -35.570 1.00 0.00 H -ATOM 610 CA VAL 40 1.749 24.013 -33.628 1.00 0.00 C -ATOM 611 HA VAL 40 0.742 23.891 -33.229 1.00 0.00 H -ATOM 612 CB VAL 40 2.474 22.759 -33.161 1.00 0.00 C -ATOM 613 HB VAL 40 3.513 22.937 -33.438 1.00 0.00 H -ATOM 614 CG1 VAL 40 2.443 22.688 -31.610 1.00 0.00 C -ATOM 615 HG11 VAL 40 2.871 21.768 -31.213 1.00 0.00 H -ATOM 616 HG12 VAL 40 2.882 23.517 -31.055 1.00 0.00 H -ATOM 617 HG13 VAL 40 1.435 22.580 -31.208 1.00 0.00 H -ATOM 618 CG2 VAL 40 1.918 21.469 -33.781 1.00 0.00 C -ATOM 619 HG21 VAL 40 1.936 21.435 -34.871 1.00 0.00 H -ATOM 620 HG22 VAL 40 2.458 20.648 -33.311 1.00 0.00 H -ATOM 621 HG23 VAL 40 0.845 21.492 -33.593 1.00 0.00 H -ATOM 622 C VAL 40 2.281 25.227 -33.000 1.00 0.00 C -ATOM 623 O VAL 40 3.385 25.675 -33.333 1.00 0.00 O -ATOM 624 N GLY 41 1.501 25.863 -32.114 1.00 0.00 N -ATOM 625 H GLY 41 0.609 25.448 -31.885 1.00 0.00 H -ATOM 626 CA GLY 41 1.807 27.140 -31.475 1.00 0.00 C -ATOM 627 HA2 GLY 41 1.255 27.146 -30.535 1.00 0.00 H -ATOM 628 HA3 GLY 41 2.871 27.313 -31.311 1.00 0.00 H -ATOM 629 C GLY 41 1.195 28.308 -32.292 1.00 0.00 C -ATOM 630 O GLY 41 0.647 28.048 -33.359 1.00 0.00 O -ATOM 631 N GLN 42 1.348 29.498 -31.848 1.00 0.00 N -ATOM 632 H GLN 42 1.953 29.576 -31.043 1.00 0.00 H -ATOM 633 CA GLN 42 1.086 30.676 -32.626 1.00 0.00 C -ATOM 634 HA GLN 42 0.130 30.605 -33.146 1.00 0.00 H -ATOM 635 CB GLN 42 0.789 31.904 -31.645 1.00 0.00 C -ATOM 636 HB2 GLN 42 0.440 32.787 -32.181 1.00 0.00 H -ATOM 637 HB3 GLN 42 -0.029 31.621 -30.984 1.00 0.00 H -ATOM 638 CG GLN 42 2.016 32.197 -30.697 1.00 0.00 C -ATOM 639 HG2 GLN 42 2.206 31.373 -30.009 1.00 0.00 H -ATOM 640 HG3 GLN 42 2.921 32.302 -31.296 1.00 0.00 H -ATOM 641 CD GLN 42 1.645 33.434 -29.798 1.00 0.00 C -ATOM 642 OE1 GLN 42 2.010 34.572 -30.035 1.00 0.00 O -ATOM 643 NE2 GLN 42 0.772 33.298 -28.827 1.00 0.00 N -ATOM 644 HE21 GLN 42 0.558 34.094 -28.243 1.00 0.00 H -ATOM 645 HE22 GLN 42 0.338 32.412 -28.609 1.00 0.00 H -ATOM 646 C GLN 42 2.127 30.991 -33.740 1.00 0.00 C -ATOM 647 O GLN 42 2.714 32.068 -33.826 1.00 0.00 O -ATOM 648 N PHE 43 2.586 30.016 -34.563 1.00 0.00 N -ATOM 649 H PHE 43 2.075 29.145 -34.541 1.00 0.00 H -ATOM 650 CA PHE 43 3.831 30.081 -35.357 1.00 0.00 C -ATOM 651 HA PHE 43 4.213 31.102 -35.363 1.00 0.00 H -ATOM 652 CB PHE 43 4.940 29.245 -34.624 1.00 0.00 C -ATOM 653 HB2 PHE 43 4.622 28.209 -34.735 1.00 0.00 H -ATOM 654 HB3 PHE 43 5.907 29.392 -35.107 1.00 0.00 H -ATOM 655 CG PHE 43 5.081 29.646 -33.110 1.00 0.00 C -ATOM 656 CD1 PHE 43 5.339 30.924 -32.802 1.00 0.00 C -ATOM 657 HD1 PHE 43 5.518 31.553 -33.662 1.00 0.00 H -ATOM 658 CE1 PHE 43 5.464 31.351 -31.441 1.00 0.00 C -ATOM 659 HE1 PHE 43 5.874 32.329 -31.236 1.00 0.00 H -ATOM 660 CZ PHE 43 5.103 30.435 -30.410 1.00 0.00 C -ATOM 661 HZ PHE 43 5.263 30.733 -29.385 1.00 0.00 H -ATOM 662 CE2 PHE 43 4.770 29.133 -30.753 1.00 0.00 C -ATOM 663 HE2 PHE 43 4.449 28.459 -29.973 1.00 0.00 H -ATOM 664 CD2 PHE 43 4.706 28.767 -32.092 1.00 0.00 C -ATOM 665 HD2 PHE 43 4.514 27.750 -32.398 1.00 0.00 H -ATOM 666 C PHE 43 3.669 29.768 -36.823 1.00 0.00 C -ATOM 667 O PHE 43 4.642 29.346 -37.459 1.00 0.00 O -ATOM 668 N LYS 44 2.489 30.049 -37.408 1.00 0.00 N -ATOM 669 H LYS 44 1.787 30.462 -36.810 1.00 0.00 H -ATOM 670 CA LYS 44 2.107 29.697 -38.808 1.00 0.00 C -ATOM 671 HA LYS 44 1.952 28.619 -38.850 1.00 0.00 H -ATOM 672 CB LYS 44 0.740 30.360 -39.111 1.00 0.00 C -ATOM 673 HB2 LYS 44 0.055 30.091 -38.307 1.00 0.00 H -ATOM 674 HB3 LYS 44 0.909 31.436 -39.069 1.00 0.00 H -ATOM 675 CG LYS 44 0.041 30.121 -40.503 1.00 0.00 C -ATOM 676 HG2 LYS 44 0.748 30.222 -41.327 1.00 0.00 H -ATOM 677 HG3 LYS 44 -0.375 29.113 -40.516 1.00 0.00 H -ATOM 678 CD LYS 44 -1.030 31.184 -40.582 1.00 0.00 C -ATOM 679 HD2 LYS 44 -1.642 31.011 -39.696 1.00 0.00 H -ATOM 680 HD3 LYS 44 -0.540 32.151 -40.471 1.00 0.00 H -ATOM 681 CE LYS 44 -1.946 31.068 -41.740 1.00 0.00 C -ATOM 682 HE2 LYS 44 -2.011 30.028 -42.059 1.00 0.00 H -ATOM 683 HE3 LYS 44 -2.922 31.488 -41.495 1.00 0.00 H -ATOM 684 NZ LYS 44 -1.435 31.834 -42.884 1.00 0.00 N -ATOM 685 HZ1 LYS 44 -0.430 31.922 -42.913 1.00 0.00 H -ATOM 686 HZ2 LYS 44 -1.742 31.478 -43.778 1.00 0.00 H -ATOM 687 HZ3 LYS 44 -1.707 32.801 -42.985 1.00 0.00 H -ATOM 688 C LYS 44 3.120 30.119 -39.810 1.00 0.00 C -ATOM 689 O LYS 44 3.675 29.318 -40.507 1.00 0.00 O -ATOM 690 N ASP 45 3.441 31.414 -39.781 1.00 0.00 N -ATOM 691 H ASP 45 2.919 32.008 -39.153 1.00 0.00 H -ATOM 692 CA ASP 45 4.326 32.062 -40.801 1.00 0.00 C -ATOM 693 HA ASP 45 3.915 31.983 -41.807 1.00 0.00 H -ATOM 694 CB ASP 45 4.560 33.515 -40.224 1.00 0.00 C -ATOM 695 HB2 ASP 45 3.572 33.972 -40.184 1.00 0.00 H -ATOM 696 HB3 ASP 45 5.098 33.446 -39.278 1.00 0.00 H -ATOM 697 CG ASP 45 5.449 34.292 -41.208 1.00 0.00 C -ATOM 698 OD1 ASP 45 6.454 34.842 -40.747 1.00 0.00 O -ATOM 699 OD2 ASP 45 5.044 34.520 -42.388 1.00 0.00 O -ATOM 700 C ASP 45 5.725 31.443 -40.761 1.00 0.00 C -ATOM 701 O ASP 45 6.455 31.471 -41.788 1.00 0.00 O -ATOM 702 N ARG 46 6.101 30.802 -39.644 1.00 0.00 N -ATOM 703 H ARG 46 5.433 30.858 -38.889 1.00 0.00 H -ATOM 704 CA ARG 46 7.414 30.167 -39.459 1.00 0.00 C -ATOM 705 HA ARG 46 8.138 30.728 -40.050 1.00 0.00 H -ATOM 706 CB ARG 46 7.948 30.102 -38.047 1.00 0.00 C -ATOM 707 HB2 ARG 46 7.103 30.064 -37.359 1.00 0.00 H -ATOM 708 HB3 ARG 46 8.551 29.205 -37.906 1.00 0.00 H -ATOM 709 CG ARG 46 8.768 31.362 -37.779 1.00 0.00 C -ATOM 710 HG2 ARG 46 9.798 31.177 -38.081 1.00 0.00 H -ATOM 711 HG3 ARG 46 8.436 32.196 -38.398 1.00 0.00 H -ATOM 712 CD ARG 46 8.882 31.819 -36.311 1.00 0.00 C -ATOM 713 HD2 ARG 46 9.464 32.725 -36.140 1.00 0.00 H -ATOM 714 HD3 ARG 46 7.896 32.063 -35.916 1.00 0.00 H -ATOM 715 NE ARG 46 9.513 30.829 -35.451 1.00 0.00 N -ATOM 716 HE ARG 46 10.193 30.186 -35.834 1.00 0.00 H -ATOM 717 CZ ARG 46 9.451 30.710 -34.108 1.00 0.00 C -ATOM 718 NH1 ARG 46 10.092 29.784 -33.489 1.00 0.00 N -ATOM 719 HH11 ARG 46 10.649 29.081 -33.953 1.00 0.00 H -ATOM 720 HH12 ARG 46 9.984 29.687 -32.490 1.00 0.00 H -ATOM 721 NH2 ARG 46 8.700 31.445 -33.392 1.00 0.00 N -ATOM 722 HH21 ARG 46 8.012 32.029 -33.847 1.00 0.00 H -ATOM 723 HH22 ARG 46 8.450 31.184 -32.449 1.00 0.00 H -ATOM 724 C ARG 46 7.497 28.771 -40.089 1.00 0.00 C -ATOM 725 O ARG 46 8.497 28.408 -40.653 1.00 0.00 O -ATOM 726 N VAL 47 6.478 27.952 -40.124 1.00 0.00 N -ATOM 727 H VAL 47 5.569 28.287 -39.836 1.00 0.00 H -ATOM 728 CA VAL 47 6.383 26.688 -40.882 1.00 0.00 C -ATOM 729 HA VAL 47 7.318 26.134 -40.797 1.00 0.00 H -ATOM 730 CB VAL 47 5.301 25.744 -40.428 1.00 0.00 C -ATOM 731 HB VAL 47 4.390 26.203 -40.813 1.00 0.00 H -ATOM 732 CG1 VAL 47 5.487 24.382 -41.137 1.00 0.00 C -ATOM 733 HG11 VAL 47 4.631 23.708 -41.123 1.00 0.00 H -ATOM 734 HG12 VAL 47 5.722 24.551 -42.188 1.00 0.00 H -ATOM 735 HG13 VAL 47 6.379 23.902 -40.735 1.00 0.00 H -ATOM 736 CG2 VAL 47 5.368 25.549 -38.917 1.00 0.00 C -ATOM 737 HG21 VAL 47 4.571 24.883 -38.587 1.00 0.00 H -ATOM 738 HG22 VAL 47 6.336 25.142 -38.626 1.00 0.00 H -ATOM 739 HG23 VAL 47 5.196 26.538 -38.493 1.00 0.00 H -ATOM 740 C VAL 47 6.198 27.079 -42.329 1.00 0.00 C -ATOM 741 O VAL 47 6.804 26.432 -43.208 1.00 0.00 O -ATOM 742 N GLU 48 5.378 28.133 -42.698 1.00 0.00 N -ATOM 743 H GLU 48 4.776 28.505 -41.977 1.00 0.00 H -ATOM 744 CA GLU 48 5.277 28.623 -44.075 1.00 0.00 C -ATOM 745 HA GLU 48 4.979 27.738 -44.638 1.00 0.00 H -ATOM 746 CB GLU 48 4.336 29.849 -44.144 1.00 0.00 C -ATOM 747 HB2 GLU 48 4.685 30.596 -43.430 1.00 0.00 H -ATOM 748 HB3 GLU 48 4.396 30.303 -45.133 1.00 0.00 H -ATOM 749 CG GLU 48 2.826 29.682 -43.911 1.00 0.00 C -ATOM 750 HG2 GLU 48 2.476 28.812 -44.465 1.00 0.00 H -ATOM 751 HG3 GLU 48 2.781 29.531 -42.832 1.00 0.00 H -ATOM 752 CD GLU 48 1.969 30.931 -44.332 1.00 0.00 C -ATOM 753 OE1 GLU 48 1.238 31.574 -43.482 1.00 0.00 O -ATOM 754 OE2 GLU 48 2.085 31.319 -45.492 1.00 0.00 O -ATOM 755 C GLU 48 6.651 28.940 -44.636 1.00 0.00 C -ATOM 756 O GLU 48 6.913 28.408 -45.734 1.00 0.00 O -ATOM 757 N LYS 49 7.521 29.666 -43.868 1.00 0.00 N -ATOM 758 H LYS 49 7.229 30.109 -43.008 1.00 0.00 H -ATOM 759 CA LYS 49 8.919 29.920 -44.218 1.00 0.00 C -ATOM 760 HA LYS 49 8.903 30.516 -45.130 1.00 0.00 H -ATOM 761 CB LYS 49 9.597 30.710 -43.061 1.00 0.00 C -ATOM 762 HB2 LYS 49 9.212 31.727 -42.991 1.00 0.00 H -ATOM 763 HB3 LYS 49 9.434 30.252 -42.086 1.00 0.00 H -ATOM 764 CG LYS 49 11.115 30.877 -43.296 1.00 0.00 C -ATOM 765 HG2 LYS 49 11.491 31.301 -42.365 1.00 0.00 H -ATOM 766 HG3 LYS 49 11.560 29.883 -43.250 1.00 0.00 H -ATOM 767 CD LYS 49 11.579 31.706 -44.473 1.00 0.00 C -ATOM 768 HD2 LYS 49 12.654 31.835 -44.349 1.00 0.00 H -ATOM 769 HD3 LYS 49 11.320 31.067 -45.317 1.00 0.00 H -ATOM 770 CE LYS 49 10.943 33.050 -44.661 1.00 0.00 C -ATOM 771 HE2 LYS 49 9.972 33.198 -44.188 1.00 0.00 H -ATOM 772 HE3 LYS 49 11.543 33.816 -44.169 1.00 0.00 H -ATOM 773 NZ LYS 49 10.787 33.429 -46.066 1.00 0.00 N -ATOM 774 HZ1 LYS 49 10.334 34.331 -46.108 1.00 0.00 H -ATOM 775 HZ2 LYS 49 11.667 33.608 -46.528 1.00 0.00 H -ATOM 776 HZ3 LYS 49 10.186 32.782 -46.555 1.00 0.00 H -ATOM 777 C LYS 49 9.768 28.622 -44.392 1.00 0.00 C -ATOM 778 O LYS 49 10.387 28.469 -45.447 1.00 0.00 O -ATOM 779 N LEU 50 9.928 27.724 -43.395 1.00 0.00 N -ATOM 780 H LEU 50 9.497 27.960 -42.512 1.00 0.00 H -ATOM 781 CA LEU 50 10.573 26.397 -43.497 1.00 0.00 C -ATOM 782 HA LEU 50 11.658 26.486 -43.559 1.00 0.00 H -ATOM 783 CB LEU 50 10.259 25.694 -42.155 1.00 0.00 C -ATOM 784 HB2 LEU 50 10.715 26.240 -41.329 1.00 0.00 H -ATOM 785 HB3 LEU 50 9.179 25.727 -42.014 1.00 0.00 H -ATOM 786 CG LEU 50 10.663 24.158 -41.994 1.00 0.00 C -ATOM 787 HG LEU 50 10.207 23.579 -42.798 1.00 0.00 H -ATOM 788 CD1 LEU 50 12.149 23.916 -42.087 1.00 0.00 C -ATOM 789 HD11 LEU 50 12.333 22.843 -42.046 1.00 0.00 H -ATOM 790 HD12 LEU 50 12.549 24.117 -43.081 1.00 0.00 H -ATOM 791 HD13 LEU 50 12.781 24.414 -41.352 1.00 0.00 H -ATOM 792 CD2 LEU 50 10.134 23.656 -40.623 1.00 0.00 C -ATOM 793 HD21 LEU 50 10.835 24.132 -39.937 1.00 0.00 H -ATOM 794 HD22 LEU 50 9.139 24.096 -40.553 1.00 0.00 H -ATOM 795 HD23 LEU 50 10.204 22.569 -40.590 1.00 0.00 H -ATOM 796 C LEU 50 10.069 25.563 -44.645 1.00 0.00 C -ATOM 797 O LEU 50 10.856 24.743 -45.151 1.00 0.00 O -ATOM 798 N CYS 51 8.760 25.482 -44.996 1.00 0.00 N -ATOM 799 H CYS 51 8.084 26.044 -44.500 1.00 0.00 H -ATOM 800 CA CYS 51 8.275 24.613 -46.101 1.00 0.00 C -ATOM 801 HA CYS 51 9.033 23.869 -46.345 1.00 0.00 H -ATOM 802 CB CYS 51 7.059 23.806 -45.659 1.00 0.00 C -ATOM 803 HB2 CYS 51 6.961 22.969 -46.351 1.00 0.00 H -ATOM 804 HB3 CYS 51 7.247 23.463 -44.641 1.00 0.00 H -ATOM 805 SG CYS 51 5.583 24.860 -45.594 1.00 0.00 S -ATOM 806 HG CYS 51 6.089 25.531 -44.555 1.00 0.00 H -ATOM 807 C CYS 51 8.044 25.179 -47.548 1.00 0.00 C -ATOM 808 O CYS 51 7.930 24.363 -48.402 1.00 0.00 O -ATOM 809 N ALA 52 8.106 26.513 -47.778 1.00 0.00 N -ATOM 810 H ALA 52 8.190 27.203 -47.044 1.00 0.00 H -ATOM 811 CA ALA 52 7.905 27.080 -49.114 1.00 0.00 C -ATOM 812 HA ALA 52 6.913 26.797 -49.467 1.00 0.00 H -ATOM 813 CB ALA 52 8.238 28.590 -49.044 1.00 0.00 C -ATOM 814 HB1 ALA 52 8.069 29.000 -50.039 1.00 0.00 H -ATOM 815 HB2 ALA 52 7.572 29.078 -48.332 1.00 0.00 H -ATOM 816 HB3 ALA 52 9.241 28.723 -48.639 1.00 0.00 H -ATOM 817 C ALA 52 8.798 26.514 -50.261 1.00 0.00 C -ATOM 818 O ALA 52 8.303 26.572 -51.348 1.00 0.00 O -ATOM 819 N GLU 53 9.901 25.862 -50.004 1.00 0.00 N -ATOM 820 H GLU 53 10.131 25.934 -49.023 1.00 0.00 H -ATOM 821 CA GLU 53 10.757 25.074 -50.910 1.00 0.00 C -ATOM 822 HA GLU 53 10.938 25.707 -51.779 1.00 0.00 H -ATOM 823 CB GLU 53 12.107 24.797 -50.271 1.00 0.00 C -ATOM 824 HB2 GLU 53 12.698 24.356 -51.074 1.00 0.00 H -ATOM 825 HB3 GLU 53 12.604 25.713 -49.952 1.00 0.00 H -ATOM 826 CG GLU 53 12.080 23.795 -49.115 1.00 0.00 C -ATOM 827 HG2 GLU 53 11.740 24.182 -48.155 1.00 0.00 H -ATOM 828 HG3 GLU 53 11.536 22.902 -49.421 1.00 0.00 H -ATOM 829 CD GLU 53 13.530 23.338 -48.787 1.00 0.00 C -ATOM 830 OE1 GLU 53 14.104 22.506 -49.571 1.00 0.00 O -ATOM 831 OE2 GLU 53 14.129 23.906 -47.785 1.00 0.00 O -ATOM 832 C GLU 53 10.143 23.825 -51.462 1.00 0.00 C -ATOM 833 O GLU 53 10.674 23.327 -52.497 1.00 0.00 O -ATOM 834 N PHE 54 8.990 23.328 -50.929 1.00 0.00 N -ATOM 835 H PHE 54 8.672 23.757 -50.071 1.00 0.00 H -ATOM 836 CA PHE 54 8.129 22.313 -51.536 1.00 0.00 C -ATOM 837 HA PHE 54 8.644 21.653 -52.234 1.00 0.00 H -ATOM 838 CB PHE 54 7.654 21.455 -50.296 1.00 0.00 C -ATOM 839 HB2 PHE 54 6.878 21.995 -49.753 1.00 0.00 H -ATOM 840 HB3 PHE 54 7.075 20.588 -50.614 1.00 0.00 H -ATOM 841 CG PHE 54 8.726 20.933 -49.364 1.00 0.00 C -ATOM 842 CD1 PHE 54 8.631 21.117 -48.006 1.00 0.00 C -ATOM 843 HD1 PHE 54 7.759 21.582 -47.569 1.00 0.00 H -ATOM 844 CE1 PHE 54 9.723 20.754 -47.177 1.00 0.00 C -ATOM 845 HE1 PHE 54 9.663 20.964 -46.119 1.00 0.00 H -ATOM 846 CZ PHE 54 10.887 20.132 -47.715 1.00 0.00 C -ATOM 847 HZ PHE 54 11.649 19.731 -47.063 1.00 0.00 H -ATOM 848 CE2 PHE 54 10.946 19.963 -49.105 1.00 0.00 C -ATOM 849 HE2 PHE 54 11.806 19.488 -49.553 1.00 0.00 H -ATOM 850 CD2 PHE 54 9.907 20.437 -49.877 1.00 0.00 C -ATOM 851 HD2 PHE 54 10.006 20.221 -50.931 1.00 0.00 H -ATOM 852 C PHE 54 6.951 22.862 -52.373 1.00 0.00 C -ATOM 853 O PHE 54 6.205 22.111 -52.957 1.00 0.00 O -ATOM 854 N ASN 55 6.729 24.172 -52.310 1.00 0.00 N -ATOM 855 H ASN 55 7.359 24.703 -51.727 1.00 0.00 H -ATOM 856 CA ASN 55 5.557 24.932 -52.770 1.00 0.00 C -ATOM 857 HA ASN 55 5.651 25.885 -52.250 1.00 0.00 H -ATOM 858 CB ASN 55 5.475 25.163 -54.300 1.00 0.00 C -ATOM 859 HB2 ASN 55 6.476 25.239 -54.724 1.00 0.00 H -ATOM 860 HB3 ASN 55 5.033 24.288 -54.778 1.00 0.00 H -ATOM 861 CG ASN 55 4.625 26.366 -54.608 1.00 0.00 C -ATOM 862 OD1 ASN 55 4.156 27.090 -53.710 1.00 0.00 O -ATOM 863 ND2 ASN 55 4.153 26.464 -55.807 1.00 0.00 N -ATOM 864 HD21 ASN 55 3.539 27.231 -56.040 1.00 0.00 H -ATOM 865 HD22 ASN 55 4.583 25.986 -56.585 1.00 0.00 H -ATOM 866 C ASN 55 4.238 24.289 -52.286 1.00 0.00 C -ATOM 867 O ASN 55 3.493 23.748 -53.118 1.00 0.00 O -ATOM 868 N PRO 56 3.903 24.375 -51.001 1.00 0.00 N -ATOM 869 CD PRO 56 4.456 25.283 -49.941 1.00 0.00 C -ATOM 870 HD2 PRO 56 3.842 26.184 -49.913 1.00 0.00 H -ATOM 871 HD3 PRO 56 5.517 25.420 -50.150 1.00 0.00 H -ATOM 872 CG PRO 56 4.283 24.507 -48.690 1.00 0.00 C -ATOM 873 HG2 PRO 56 4.298 25.117 -47.787 1.00 0.00 H -ATOM 874 HG3 PRO 56 5.125 23.819 -48.613 1.00 0.00 H -ATOM 875 CB PRO 56 3.022 23.659 -48.850 1.00 0.00 C -ATOM 876 HB2 PRO 56 2.154 24.253 -48.563 1.00 0.00 H -ATOM 877 HB3 PRO 56 3.148 22.717 -48.315 1.00 0.00 H -ATOM 878 CA PRO 56 2.862 23.568 -50.352 1.00 0.00 C -ATOM 879 HA PRO 56 2.940 22.523 -50.652 1.00 0.00 H -ATOM 880 C PRO 56 1.465 23.936 -50.902 1.00 0.00 C -ATOM 881 O PRO 56 1.212 25.027 -51.452 1.00 0.00 O -ATOM 882 N ALA 57 0.588 22.986 -50.897 1.00 0.00 N -ATOM 883 H ALA 57 0.915 22.152 -50.429 1.00 0.00 H -ATOM 884 CA ALA 57 -0.909 23.039 -51.108 1.00 0.00 C -ATOM 885 HA ALA 57 -0.997 23.531 -52.077 1.00 0.00 H -ATOM 886 CB ALA 57 -1.550 21.607 -51.035 1.00 0.00 C -ATOM 887 HB1 ALA 57 -2.611 21.415 -51.192 1.00 0.00 H -ATOM 888 HB2 ALA 57 -0.999 20.979 -51.735 1.00 0.00 H -ATOM 889 HB3 ALA 57 -1.241 21.138 -50.101 1.00 0.00 H -ATOM 890 C ALA 57 -1.622 23.954 -50.090 1.00 0.00 C -ATOM 891 O ALA 57 -2.482 24.704 -50.572 1.00 0.00 O -ATOM 892 N ALA 58 -1.205 23.843 -48.831 1.00 0.00 N -ATOM 893 H ALA 58 -0.418 23.234 -48.658 1.00 0.00 H -ATOM 894 CA ALA 58 -1.762 24.549 -47.685 1.00 0.00 C -ATOM 895 HA ALA 58 -1.872 25.609 -47.916 1.00 0.00 H -ATOM 896 CB ALA 58 -3.123 23.923 -47.282 1.00 0.00 C -ATOM 897 HB1 ALA 58 -3.543 24.501 -46.458 1.00 0.00 H -ATOM 898 HB2 ALA 58 -3.782 23.927 -48.150 1.00 0.00 H -ATOM 899 HB3 ALA 58 -2.955 22.892 -46.972 1.00 0.00 H -ATOM 900 C ALA 58 -0.730 24.562 -46.555 1.00 0.00 C -ATOM 901 O ALA 58 0.189 23.707 -46.617 1.00 0.00 O -ATOM 902 N VAL 59 -0.974 25.380 -45.530 1.00 0.00 N -ATOM 903 H VAL 59 -1.659 26.117 -45.620 1.00 0.00 H -ATOM 904 CA VAL 59 -0.593 25.049 -44.080 1.00 0.00 C -ATOM 905 HA VAL 59 -0.215 24.029 -44.001 1.00 0.00 H -ATOM 906 CB VAL 59 0.641 25.883 -43.602 1.00 0.00 C -ATOM 907 HB VAL 59 0.419 26.947 -43.516 1.00 0.00 H -ATOM 908 CG1 VAL 59 1.159 25.391 -42.210 1.00 0.00 C -ATOM 909 HG11 VAL 59 0.829 24.373 -42.004 1.00 0.00 H -ATOM 910 HG12 VAL 59 2.244 25.465 -42.131 1.00 0.00 H -ATOM 911 HG13 VAL 59 0.738 25.945 -41.371 1.00 0.00 H -ATOM 912 CG2 VAL 59 1.846 25.743 -44.666 1.00 0.00 C -ATOM 913 HG21 VAL 59 1.637 26.315 -45.570 1.00 0.00 H -ATOM 914 HG22 VAL 59 2.743 26.194 -44.242 1.00 0.00 H -ATOM 915 HG23 VAL 59 2.017 24.706 -44.954 1.00 0.00 H -ATOM 916 C VAL 59 -1.714 25.338 -43.089 1.00 0.00 C -ATOM 917 O VAL 59 -2.427 26.340 -43.155 1.00 0.00 O -ATOM 918 N LEU 60 -2.106 24.364 -42.273 1.00 0.00 N -ATOM 919 H LEU 60 -1.466 23.586 -42.201 1.00 0.00 H -ATOM 920 CA LEU 60 -3.317 24.420 -41.410 1.00 0.00 C -ATOM 921 HA LEU 60 -3.733 25.428 -41.430 1.00 0.00 H -ATOM 922 CB LEU 60 -4.194 23.291 -41.994 1.00 0.00 C -ATOM 923 HB2 LEU 60 -3.638 22.354 -41.987 1.00 0.00 H -ATOM 924 HB3 LEU 60 -5.000 22.996 -41.322 1.00 0.00 H -ATOM 925 CG LEU 60 -4.947 23.461 -43.348 1.00 0.00 C -ATOM 926 HG LEU 60 -4.162 23.795 -44.027 1.00 0.00 H -ATOM 927 CD1 LEU 60 -5.581 22.249 -43.801 1.00 0.00 C -ATOM 928 HD11 LEU 60 -5.028 21.339 -43.569 1.00 0.00 H -ATOM 929 HD12 LEU 60 -6.599 22.191 -43.417 1.00 0.00 H -ATOM 930 HD13 LEU 60 -5.680 22.230 -44.887 1.00 0.00 H -ATOM 931 CD2 LEU 60 -6.037 24.540 -43.272 1.00 0.00 C -ATOM 932 HD21 LEU 60 -6.740 24.414 -42.450 1.00 0.00 H -ATOM 933 HD22 LEU 60 -5.492 25.482 -43.207 1.00 0.00 H -ATOM 934 HD23 LEU 60 -6.561 24.660 -44.221 1.00 0.00 H -ATOM 935 C LEU 60 -2.972 24.103 -39.909 1.00 0.00 C -ATOM 936 O LEU 60 -1.925 23.532 -39.641 1.00 0.00 O -ATOM 937 N PRO 61 -3.823 24.400 -38.958 1.00 0.00 N -ATOM 938 CD PRO 61 -5.092 25.123 -38.953 1.00 0.00 C -ATOM 939 HD2 PRO 61 -6.031 24.569 -38.948 1.00 0.00 H -ATOM 940 HD3 PRO 61 -5.093 25.882 -39.735 1.00 0.00 H -ATOM 941 CG PRO 61 -5.114 25.781 -37.546 1.00 0.00 C -ATOM 942 HG2 PRO 61 -6.150 26.039 -37.323 1.00 0.00 H -ATOM 943 HG3 PRO 61 -4.384 26.568 -37.357 1.00 0.00 H -ATOM 944 CB PRO 61 -4.699 24.659 -36.644 1.00 0.00 C -ATOM 945 HB2 PRO 61 -5.474 23.955 -36.341 1.00 0.00 H -ATOM 946 HB3 PRO 61 -4.259 25.058 -35.731 1.00 0.00 H -ATOM 947 CA PRO 61 -3.557 23.985 -37.519 1.00 0.00 C -ATOM 948 HA PRO 61 -2.630 24.409 -37.132 1.00 0.00 H -ATOM 949 C PRO 61 -3.687 22.464 -37.168 1.00 0.00 C -ATOM 950 O PRO 61 -4.517 21.664 -37.702 1.00 0.00 O -ATOM 951 N CYS 62 -2.799 22.049 -36.236 1.00 0.00 N -ATOM 952 H CYS 62 -2.090 22.671 -35.874 1.00 0.00 H -ATOM 953 CA CYS 62 -3.044 20.833 -35.511 1.00 0.00 C -ATOM 954 HA CYS 62 -4.056 20.454 -35.655 1.00 0.00 H -ATOM 955 CB CYS 62 -2.012 19.749 -35.977 1.00 0.00 C -ATOM 956 HB2 CYS 62 -2.159 19.766 -37.057 1.00 0.00 H -ATOM 957 HB3 CYS 62 -0.978 20.017 -35.760 1.00 0.00 H -ATOM 958 SG CYS 62 -2.411 18.105 -35.379 1.00 0.00 S -ATOM 959 HG CYS 62 -2.072 17.453 -36.494 1.00 0.00 H -ATOM 960 C CYS 62 -2.793 20.997 -34.009 1.00 0.00 C -ATOM 961 O CYS 62 -2.148 21.947 -33.596 1.00 0.00 O -ATOM 962 N ASP 63 -3.405 20.114 -33.187 1.00 0.00 N -ATOM 963 H ASP 63 -4.011 19.415 -33.593 1.00 0.00 H -ATOM 964 CA ASP 63 -3.211 19.987 -31.724 1.00 0.00 C -ATOM 965 HA ASP 63 -2.317 20.533 -31.422 1.00 0.00 H -ATOM 966 CB ASP 63 -4.391 20.548 -30.959 1.00 0.00 C -ATOM 967 HB2 ASP 63 -4.597 21.518 -31.411 1.00 0.00 H -ATOM 968 HB3 ASP 63 -5.241 19.883 -31.117 1.00 0.00 H -ATOM 969 CG ASP 63 -4.175 20.614 -29.442 1.00 0.00 C -ATOM 970 OD1 ASP 63 -3.334 21.445 -29.006 1.00 0.00 O -ATOM 971 OD2 ASP 63 -4.749 19.697 -28.716 1.00 0.00 O -ATOM 972 C ASP 63 -2.907 18.483 -31.349 1.00 0.00 C -ATOM 973 O ASP 63 -3.295 17.485 -31.976 1.00 0.00 O -ATOM 974 N VAL 64 -2.098 18.277 -30.276 1.00 0.00 N -ATOM 975 H VAL 64 -1.561 19.069 -29.952 1.00 0.00 H -ATOM 976 CA VAL 64 -1.729 16.976 -29.785 1.00 0.00 C -ATOM 977 HA VAL 64 -1.514 16.366 -30.663 1.00 0.00 H -ATOM 978 CB VAL 64 -0.416 16.982 -29.057 1.00 0.00 C -ATOM 979 HB VAL 64 0.246 17.699 -29.542 1.00 0.00 H -ATOM 980 CG1 VAL 64 -0.576 17.511 -27.623 1.00 0.00 C -ATOM 981 HG11 VAL 64 -1.172 18.421 -27.549 1.00 0.00 H -ATOM 982 HG12 VAL 64 -1.053 16.780 -26.971 1.00 0.00 H -ATOM 983 HG13 VAL 64 0.394 17.893 -27.306 1.00 0.00 H -ATOM 984 CG2 VAL 64 0.324 15.638 -28.896 1.00 0.00 C -ATOM 985 HG21 VAL 64 -0.362 15.014 -28.324 1.00 0.00 H -ATOM 986 HG22 VAL 64 0.645 15.320 -29.888 1.00 0.00 H -ATOM 987 HG23 VAL 64 1.261 15.808 -28.364 1.00 0.00 H -ATOM 988 C VAL 64 -2.850 16.180 -29.051 1.00 0.00 C -ATOM 989 O VAL 64 -2.728 14.929 -28.968 1.00 0.00 O -ATOM 990 N ILE 65 -3.854 16.871 -28.451 1.00 0.00 N -ATOM 991 H ILE 65 -3.916 17.872 -28.568 1.00 0.00 H -ATOM 992 CA ILE 65 -4.850 16.099 -27.571 1.00 0.00 C -ATOM 993 HA ILE 65 -4.647 15.034 -27.678 1.00 0.00 H -ATOM 994 CB ILE 65 -4.647 16.523 -26.061 1.00 0.00 C -ATOM 995 HB ILE 65 -5.532 16.216 -25.504 1.00 0.00 H -ATOM 996 CG2 ILE 65 -3.534 15.682 -25.398 1.00 0.00 C -ATOM 997 HG21 ILE 65 -3.780 14.620 -25.371 1.00 0.00 H -ATOM 998 HG22 ILE 65 -2.598 15.929 -25.899 1.00 0.00 H -ATOM 999 HG23 ILE 65 -3.454 15.889 -24.331 1.00 0.00 H -ATOM 1000 CG1 ILE 65 -4.488 18.081 -25.863 1.00 0.00 C -ATOM 1001 HG12 ILE 65 -3.687 18.436 -26.511 1.00 0.00 H -ATOM 1002 HG13 ILE 65 -5.420 18.510 -26.229 1.00 0.00 H -ATOM 1003 CD1 ILE 65 -4.123 18.551 -24.466 1.00 0.00 C -ATOM 1004 HD11 ILE 65 -4.850 18.265 -23.706 1.00 0.00 H -ATOM 1005 HD12 ILE 65 -3.106 18.284 -24.180 1.00 0.00 H -ATOM 1006 HD13 ILE 65 -4.148 19.641 -24.455 1.00 0.00 H -ATOM 1007 C ILE 65 -6.322 16.438 -27.923 1.00 0.00 C -ATOM 1008 O ILE 65 -7.174 15.605 -27.669 1.00 0.00 O -ATOM 1009 N SER 66 -6.609 17.606 -28.488 1.00 0.00 N -ATOM 1010 H SER 66 -5.902 18.309 -28.649 1.00 0.00 H -ATOM 1011 CA SER 66 -7.950 18.134 -28.822 1.00 0.00 C -ATOM 1012 HA SER 66 -8.553 18.330 -27.936 1.00 0.00 H -ATOM 1013 CB SER 66 -7.787 19.514 -29.556 1.00 0.00 C -ATOM 1014 HB2 SER 66 -7.355 20.303 -28.941 1.00 0.00 H -ATOM 1015 HB3 SER 66 -7.146 19.306 -30.413 1.00 0.00 H -ATOM 1016 OG SER 66 -9.014 19.900 -30.084 1.00 0.00 O -ATOM 1017 HG SER 66 -8.955 20.828 -30.322 1.00 0.00 H -ATOM 1018 C SER 66 -8.726 17.168 -29.706 1.00 0.00 C -ATOM 1019 O SER 66 -8.175 16.671 -30.717 1.00 0.00 O -ATOM 1020 N ASP 67 -10.019 16.944 -29.346 1.00 0.00 N -ATOM 1021 H ASP 67 -10.382 17.401 -28.522 1.00 0.00 H -ATOM 1022 CA ASP 67 -10.943 16.217 -30.194 1.00 0.00 C -ATOM 1023 HA ASP 67 -10.382 15.367 -30.583 1.00 0.00 H -ATOM 1024 CB ASP 67 -11.984 15.558 -29.358 1.00 0.00 C -ATOM 1025 HB2 ASP 67 -11.450 14.981 -28.603 1.00 0.00 H -ATOM 1026 HB3 ASP 67 -12.733 16.260 -28.991 1.00 0.00 H -ATOM 1027 CG ASP 67 -12.874 14.478 -30.003 1.00 0.00 C -ATOM 1028 OD1 ASP 67 -12.274 13.439 -30.436 1.00 0.00 O -ATOM 1029 OD2 ASP 67 -14.127 14.564 -30.113 1.00 0.00 O -ATOM 1030 C ASP 67 -11.486 17.066 -31.298 1.00 0.00 C -ATOM 1031 O ASP 67 -11.849 16.561 -32.372 1.00 0.00 O -ATOM 1032 N GLN 68 -11.467 18.397 -31.097 1.00 0.00 N -ATOM 1033 H GLN 68 -10.782 18.685 -30.413 1.00 0.00 H -ATOM 1034 CA GLN 68 -11.973 19.402 -32.053 1.00 0.00 C -ATOM 1035 HA GLN 68 -12.952 19.052 -32.382 1.00 0.00 H -ATOM 1036 CB GLN 68 -12.243 20.750 -31.341 1.00 0.00 C -ATOM 1037 HB2 GLN 68 -11.297 21.154 -30.978 1.00 0.00 H -ATOM 1038 HB3 GLN 68 -12.658 21.415 -32.098 1.00 0.00 H -ATOM 1039 CG GLN 68 -13.224 20.628 -30.203 1.00 0.00 C -ATOM 1040 HG2 GLN 68 -12.692 20.041 -29.454 1.00 0.00 H -ATOM 1041 HG3 GLN 68 -13.569 21.618 -29.906 1.00 0.00 H -ATOM 1042 CD GLN 68 -14.510 19.819 -30.585 1.00 0.00 C -ATOM 1043 OE1 GLN 68 -14.604 18.618 -30.390 1.00 0.00 O -ATOM 1044 NE2 GLN 68 -15.465 20.410 -31.251 1.00 0.00 N -ATOM 1045 HE21 GLN 68 -16.251 19.798 -31.418 1.00 0.00 H -ATOM 1046 HE22 GLN 68 -15.487 21.379 -31.535 1.00 0.00 H -ATOM 1047 C GLN 68 -11.110 19.644 -33.339 1.00 0.00 C -ATOM 1048 O GLN 68 -11.627 19.711 -34.452 1.00 0.00 O -ATOM 1049 N GLU 69 -9.832 19.880 -33.133 1.00 0.00 N -ATOM 1050 H GLU 69 -9.459 19.784 -32.200 1.00 0.00 H -ATOM 1051 CA GLU 69 -8.957 20.308 -34.169 1.00 0.00 C -ATOM 1052 HA GLU 69 -9.382 21.223 -34.581 1.00 0.00 H -ATOM 1053 CB GLU 69 -7.560 20.575 -33.563 1.00 0.00 C -ATOM 1054 HB2 GLU 69 -7.453 19.992 -32.648 1.00 0.00 H -ATOM 1055 HB3 GLU 69 -6.843 20.257 -34.320 1.00 0.00 H -ATOM 1056 CG GLU 69 -7.239 22.022 -33.197 1.00 0.00 C -ATOM 1057 HG2 GLU 69 -6.279 22.164 -32.701 1.00 0.00 H -ATOM 1058 HG3 GLU 69 -7.288 22.568 -34.139 1.00 0.00 H -ATOM 1059 CD GLU 69 -8.260 22.550 -32.194 1.00 0.00 C -ATOM 1060 OE1 GLU 69 -8.074 22.411 -30.980 1.00 0.00 O -ATOM 1061 OE2 GLU 69 -9.207 23.241 -32.621 1.00 0.00 O -ATOM 1062 C GLU 69 -8.793 19.275 -35.291 1.00 0.00 C -ATOM 1063 O GLU 69 -8.559 19.643 -36.417 1.00 0.00 O -ATOM 1064 N ILE 70 -8.964 17.979 -34.989 1.00 0.00 N -ATOM 1065 H ILE 70 -9.135 17.722 -34.028 1.00 0.00 H -ATOM 1066 CA ILE 70 -8.825 16.946 -36.043 1.00 0.00 C -ATOM 1067 HA ILE 70 -8.110 17.383 -36.742 1.00 0.00 H -ATOM 1068 CB ILE 70 -8.222 15.613 -35.532 1.00 0.00 C -ATOM 1069 HB ILE 70 -8.195 14.781 -36.235 1.00 0.00 H -ATOM 1070 CG2 ILE 70 -6.738 15.898 -35.200 1.00 0.00 C -ATOM 1071 HG21 ILE 70 -6.257 16.351 -36.067 1.00 0.00 H -ATOM 1072 HG22 ILE 70 -6.645 16.572 -34.349 1.00 0.00 H -ATOM 1073 HG23 ILE 70 -6.137 15.003 -35.040 1.00 0.00 H -ATOM 1074 CG1 ILE 70 -8.920 15.080 -34.282 1.00 0.00 C -ATOM 1075 HG12 ILE 70 -8.977 15.845 -33.508 1.00 0.00 H -ATOM 1076 HG13 ILE 70 -9.971 14.899 -34.505 1.00 0.00 H -ATOM 1077 CD1 ILE 70 -8.459 13.829 -33.573 1.00 0.00 C -ATOM 1078 HD11 ILE 70 -7.447 13.968 -33.193 1.00 0.00 H -ATOM 1079 HD12 ILE 70 -9.077 13.678 -32.687 1.00 0.00 H -ATOM 1080 HD13 ILE 70 -8.355 13.035 -34.312 1.00 0.00 H -ATOM 1081 C ILE 70 -10.049 16.773 -36.899 1.00 0.00 C -ATOM 1082 O ILE 70 -10.001 16.370 -38.098 1.00 0.00 O -ATOM 1083 N LYS 71 -11.272 16.959 -36.322 1.00 0.00 N -ATOM 1084 H LYS 71 -11.262 17.325 -35.381 1.00 0.00 H -ATOM 1085 CA LYS 71 -12.494 17.045 -37.124 1.00 0.00 C -ATOM 1086 HA LYS 71 -12.689 16.083 -37.598 1.00 0.00 H -ATOM 1087 CB LYS 71 -13.713 17.413 -36.167 1.00 0.00 C -ATOM 1088 HB2 LYS 71 -13.554 18.356 -35.643 1.00 0.00 H -ATOM 1089 HB3 LYS 71 -14.646 17.610 -36.695 1.00 0.00 H -ATOM 1090 CG LYS 71 -14.045 16.303 -35.109 1.00 0.00 C -ATOM 1091 HG2 LYS 71 -14.635 15.610 -35.708 1.00 0.00 H -ATOM 1092 HG3 LYS 71 -13.183 15.797 -34.675 1.00 0.00 H -ATOM 1093 CD LYS 71 -14.912 16.865 -33.985 1.00 0.00 C -ATOM 1094 HD2 LYS 71 -14.435 17.746 -33.556 1.00 0.00 H -ATOM 1095 HD3 LYS 71 -15.967 17.042 -34.197 1.00 0.00 H -ATOM 1096 CE LYS 71 -14.877 15.741 -32.888 1.00 0.00 C -ATOM 1097 HE2 LYS 71 -15.107 14.725 -33.211 1.00 0.00 H -ATOM 1098 HE3 LYS 71 -13.901 15.601 -32.424 1.00 0.00 H -ATOM 1099 NZ LYS 71 -15.877 16.116 -31.861 1.00 0.00 N -ATOM 1100 HZ1 LYS 71 -16.809 16.181 -32.244 1.00 0.00 H -ATOM 1101 HZ2 LYS 71 -15.890 15.372 -31.178 1.00 0.00 H -ATOM 1102 HZ3 LYS 71 -15.649 16.995 -31.419 1.00 0.00 H -ATOM 1103 C LYS 71 -12.457 18.144 -38.149 1.00 0.00 C -ATOM 1104 O LYS 71 -13.134 18.110 -39.178 1.00 0.00 O -ATOM 1105 N ASP 72 -11.697 19.237 -37.916 1.00 0.00 N -ATOM 1106 H ASP 72 -11.348 19.246 -36.968 1.00 0.00 H -ATOM 1107 CA ASP 72 -11.659 20.395 -38.819 1.00 0.00 C -ATOM 1108 HA ASP 72 -12.657 20.513 -39.241 1.00 0.00 H -ATOM 1109 CB ASP 72 -11.323 21.600 -37.877 1.00 0.00 C -ATOM 1110 HB2 ASP 72 -11.982 21.533 -37.012 1.00 0.00 H -ATOM 1111 HB3 ASP 72 -10.331 21.577 -37.426 1.00 0.00 H -ATOM 1112 CG ASP 72 -11.487 22.912 -38.586 1.00 0.00 C -ATOM 1113 OD1 ASP 72 -10.566 23.763 -38.391 1.00 0.00 O -ATOM 1114 OD2 ASP 72 -12.564 23.264 -39.084 1.00 0.00 O -ATOM 1115 C ASP 72 -10.607 20.152 -39.887 1.00 0.00 C -ATOM 1116 O ASP 72 -10.870 20.655 -40.995 1.00 0.00 O -ATOM 1117 N LEU 73 -9.464 19.531 -39.561 1.00 0.00 N -ATOM 1118 H LEU 73 -9.486 19.124 -38.637 1.00 0.00 H -ATOM 1119 CA LEU 73 -8.277 19.409 -40.342 1.00 0.00 C -ATOM 1120 HA LEU 73 -7.997 20.409 -40.674 1.00 0.00 H -ATOM 1121 CB LEU 73 -7.201 18.668 -39.523 1.00 0.00 C -ATOM 1122 HB2 LEU 73 -7.101 19.034 -38.501 1.00 0.00 H -ATOM 1123 HB3 LEU 73 -7.355 17.592 -39.453 1.00 0.00 H -ATOM 1124 CG LEU 73 -5.843 18.614 -40.217 1.00 0.00 C -ATOM 1125 HG LEU 73 -5.920 17.916 -41.050 1.00 0.00 H -ATOM 1126 CD1 LEU 73 -5.356 19.966 -40.758 1.00 0.00 C -ATOM 1127 HD11 LEU 73 -5.942 20.216 -41.642 1.00 0.00 H -ATOM 1128 HD12 LEU 73 -5.357 20.711 -39.963 1.00 0.00 H -ATOM 1129 HD13 LEU 73 -4.354 19.812 -41.158 1.00 0.00 H -ATOM 1130 CD2 LEU 73 -4.875 18.112 -39.178 1.00 0.00 C -ATOM 1131 HD21 LEU 73 -4.566 18.916 -38.510 1.00 0.00 H -ATOM 1132 HD22 LEU 73 -5.319 17.326 -38.567 1.00 0.00 H -ATOM 1133 HD23 LEU 73 -4.067 17.554 -39.652 1.00 0.00 H -ATOM 1134 C LEU 73 -8.541 18.770 -41.684 1.00 0.00 C -ATOM 1135 O LEU 73 -8.145 19.298 -42.774 1.00 0.00 O -ATOM 1136 N PHE 74 -9.350 17.665 -41.792 1.00 0.00 N -ATOM 1137 H PHE 74 -9.667 17.282 -40.913 1.00 0.00 H -ATOM 1138 CA PHE 74 -9.670 16.946 -43.011 1.00 0.00 C -ATOM 1139 HA PHE 74 -8.779 16.943 -43.638 1.00 0.00 H -ATOM 1140 CB PHE 74 -9.987 15.438 -42.772 1.00 0.00 C -ATOM 1141 HB2 PHE 74 -10.920 15.365 -42.214 1.00 0.00 H -ATOM 1142 HB3 PHE 74 -10.131 14.938 -43.729 1.00 0.00 H -ATOM 1143 CG PHE 74 -8.840 14.774 -42.043 1.00 0.00 C -ATOM 1144 CD1 PHE 74 -7.831 14.210 -42.875 1.00 0.00 C -ATOM 1145 HD1 PHE 74 -7.765 14.572 -43.891 1.00 0.00 H -ATOM 1146 CE1 PHE 74 -6.809 13.454 -42.270 1.00 0.00 C -ATOM 1147 HE1 PHE 74 -6.080 13.033 -42.946 1.00 0.00 H -ATOM 1148 CZ PHE 74 -6.776 13.194 -40.878 1.00 0.00 C -ATOM 1149 HZ PHE 74 -6.089 12.484 -40.442 1.00 0.00 H -ATOM 1150 CE2 PHE 74 -7.791 13.829 -40.091 1.00 0.00 C -ATOM 1151 HE2 PHE 74 -7.786 13.614 -39.033 1.00 0.00 H -ATOM 1152 CD2 PHE 74 -8.814 14.549 -40.648 1.00 0.00 C -ATOM 1153 HD2 PHE 74 -9.586 14.930 -39.996 1.00 0.00 H -ATOM 1154 C PHE 74 -10.849 17.638 -43.755 1.00 0.00 C -ATOM 1155 O PHE 74 -11.039 17.318 -44.917 1.00 0.00 O -ATOM 1156 N VAL 75 -11.546 18.607 -43.147 1.00 0.00 N -ATOM 1157 H VAL 75 -11.269 18.912 -42.225 1.00 0.00 H -ATOM 1158 CA VAL 75 -12.557 19.446 -43.813 1.00 0.00 C -ATOM 1159 HA VAL 75 -12.963 18.862 -44.639 1.00 0.00 H -ATOM 1160 CB VAL 75 -13.715 19.835 -42.868 1.00 0.00 C -ATOM 1161 HB VAL 75 -13.352 20.394 -42.005 1.00 0.00 H -ATOM 1162 CG1 VAL 75 -14.784 20.614 -43.555 1.00 0.00 C -ATOM 1163 HG11 VAL 75 -14.932 20.190 -44.548 1.00 0.00 H -ATOM 1164 HG12 VAL 75 -15.734 20.590 -43.022 1.00 0.00 H -ATOM 1165 HG13 VAL 75 -14.473 21.652 -43.670 1.00 0.00 H -ATOM 1166 CG2 VAL 75 -14.386 18.539 -42.562 1.00 0.00 C -ATOM 1167 HG21 VAL 75 -14.799 18.047 -43.442 1.00 0.00 H -ATOM 1168 HG22 VAL 75 -13.683 17.829 -42.126 1.00 0.00 H -ATOM 1169 HG23 VAL 75 -15.219 18.655 -41.868 1.00 0.00 H -ATOM 1170 C VAL 75 -11.884 20.678 -44.462 1.00 0.00 C -ATOM 1171 O VAL 75 -12.055 20.864 -45.680 1.00 0.00 O -ATOM 1172 N GLU 76 -11.109 21.424 -43.680 1.00 0.00 N -ATOM 1173 H GLU 76 -11.158 21.240 -42.688 1.00 0.00 H -ATOM 1174 CA GLU 76 -10.292 22.533 -44.236 1.00 0.00 C -ATOM 1175 HA GLU 76 -10.977 23.092 -44.874 1.00 0.00 H -ATOM 1176 CB GLU 76 -9.799 23.493 -43.090 1.00 0.00 C -ATOM 1177 HB2 GLU 76 -9.101 22.886 -42.514 1.00 0.00 H -ATOM 1178 HB3 GLU 76 -9.378 24.419 -43.480 1.00 0.00 H -ATOM 1179 CG GLU 76 -10.964 23.989 -42.205 1.00 0.00 C -ATOM 1180 HG2 GLU 76 -11.305 23.184 -41.554 1.00 0.00 H -ATOM 1181 HG3 GLU 76 -10.654 24.742 -41.479 1.00 0.00 H -ATOM 1182 CD GLU 76 -12.098 24.685 -43.004 1.00 0.00 C -ATOM 1183 OE1 GLU 76 -13.199 24.155 -43.128 1.00 0.00 O -ATOM 1184 OE2 GLU 76 -11.875 25.836 -43.506 1.00 0.00 O -ATOM 1185 C GLU 76 -9.203 22.184 -45.268 1.00 0.00 C -ATOM 1186 O GLU 76 -9.082 22.895 -46.268 1.00 0.00 O -ATOM 1187 N LEU 77 -8.476 21.055 -45.115 1.00 0.00 N -ATOM 1188 H LEU 77 -8.502 20.555 -44.238 1.00 0.00 H -ATOM 1189 CA LEU 77 -7.768 20.416 -46.244 1.00 0.00 C -ATOM 1190 HA LEU 77 -7.115 21.122 -46.759 1.00 0.00 H -ATOM 1191 CB LEU 77 -6.934 19.327 -45.687 1.00 0.00 C -ATOM 1192 HB2 LEU 77 -6.531 19.642 -44.724 1.00 0.00 H -ATOM 1193 HB3 LEU 77 -7.639 18.510 -45.530 1.00 0.00 H -ATOM 1194 CG LEU 77 -5.736 18.736 -46.453 1.00 0.00 C -ATOM 1195 HG LEU 77 -6.150 18.234 -47.328 1.00 0.00 H -ATOM 1196 CD1 LEU 77 -4.914 19.809 -47.096 1.00 0.00 C -ATOM 1197 HD11 LEU 77 -3.982 19.380 -47.464 1.00 0.00 H -ATOM 1198 HD12 LEU 77 -5.494 20.230 -47.917 1.00 0.00 H -ATOM 1199 HD13 LEU 77 -4.727 20.455 -46.239 1.00 0.00 H -ATOM 1200 CD2 LEU 77 -4.911 17.764 -45.766 1.00 0.00 C -ATOM 1201 HD21 LEU 77 -5.534 16.981 -45.335 1.00 0.00 H -ATOM 1202 HD22 LEU 77 -4.148 17.439 -46.473 1.00 0.00 H -ATOM 1203 HD23 LEU 77 -4.437 18.230 -44.902 1.00 0.00 H -ATOM 1204 C LEU 77 -8.784 19.861 -47.308 1.00 0.00 C -ATOM 1205 O LEU 77 -8.443 19.822 -48.479 1.00 0.00 O -ATOM 1206 N GLY 78 -9.983 19.392 -46.953 1.00 0.00 N -ATOM 1207 H GLY 78 -10.287 19.496 -45.995 1.00 0.00 H -ATOM 1208 CA GLY 78 -11.023 18.986 -47.925 1.00 0.00 C -ATOM 1209 HA2 GLY 78 -10.447 18.323 -48.571 1.00 0.00 H -ATOM 1210 HA3 GLY 78 -11.831 18.438 -47.441 1.00 0.00 H -ATOM 1211 C GLY 78 -11.545 20.151 -48.850 1.00 0.00 C -ATOM 1212 O GLY 78 -12.125 19.824 -49.820 1.00 0.00 O -ATOM 1213 N LYS 79 -11.140 21.381 -48.557 1.00 0.00 N -ATOM 1214 H LYS 79 -10.739 21.537 -47.644 1.00 0.00 H -ATOM 1215 CA LYS 79 -11.405 22.556 -49.478 1.00 0.00 C -ATOM 1216 HA LYS 79 -12.351 22.442 -50.008 1.00 0.00 H -ATOM 1217 CB LYS 79 -11.248 23.852 -48.610 1.00 0.00 C -ATOM 1218 HB2 LYS 79 -10.297 23.776 -48.081 1.00 0.00 H -ATOM 1219 HB3 LYS 79 -11.315 24.749 -49.226 1.00 0.00 H -ATOM 1220 CG LYS 79 -12.488 23.937 -47.673 1.00 0.00 C -ATOM 1221 HG2 LYS 79 -13.356 23.968 -48.332 1.00 0.00 H -ATOM 1222 HG3 LYS 79 -12.571 23.057 -47.035 1.00 0.00 H -ATOM 1223 CD LYS 79 -12.523 25.184 -46.778 1.00 0.00 C -ATOM 1224 HD2 LYS 79 -11.766 25.016 -46.012 1.00 0.00 H -ATOM 1225 HD3 LYS 79 -12.316 26.157 -47.224 1.00 0.00 H -ATOM 1226 CE LYS 79 -13.964 25.286 -46.188 1.00 0.00 C -ATOM 1227 HE2 LYS 79 -14.744 25.551 -46.902 1.00 0.00 H -ATOM 1228 HE3 LYS 79 -14.346 24.436 -45.623 1.00 0.00 H -ATOM 1229 NZ LYS 79 -13.929 26.374 -45.158 1.00 0.00 N -ATOM 1230 HZ1 LYS 79 -13.276 26.041 -44.463 1.00 0.00 H -ATOM 1231 HZ2 LYS 79 -13.693 27.307 -45.465 1.00 0.00 H -ATOM 1232 HZ3 LYS 79 -14.801 26.376 -44.648 1.00 0.00 H -ATOM 1233 C LYS 79 -10.291 22.677 -50.545 1.00 0.00 C -ATOM 1234 O LYS 79 -10.446 23.483 -51.420 1.00 0.00 O -ATOM 1235 N VAL 80 -9.191 21.974 -50.408 1.00 0.00 N -ATOM 1236 H VAL 80 -9.088 21.485 -49.530 1.00 0.00 H -ATOM 1237 CA VAL 80 -7.975 22.083 -51.152 1.00 0.00 C -ATOM 1238 HA VAL 80 -8.075 22.906 -51.859 1.00 0.00 H -ATOM 1239 CB VAL 80 -6.767 22.217 -50.196 1.00 0.00 C -ATOM 1240 HB VAL 80 -6.775 21.288 -49.625 1.00 0.00 H -ATOM 1241 CG1 VAL 80 -5.449 22.449 -50.822 1.00 0.00 C -ATOM 1242 HG11 VAL 80 -5.551 23.410 -51.326 1.00 0.00 H -ATOM 1243 HG12 VAL 80 -4.610 22.515 -50.130 1.00 0.00 H -ATOM 1244 HG13 VAL 80 -5.276 21.725 -51.618 1.00 0.00 H -ATOM 1245 CG2 VAL 80 -6.992 23.317 -49.173 1.00 0.00 C -ATOM 1246 HG21 VAL 80 -6.248 23.264 -48.378 1.00 0.00 H -ATOM 1247 HG22 VAL 80 -6.888 24.287 -49.659 1.00 0.00 H -ATOM 1248 HG23 VAL 80 -7.971 23.276 -48.695 1.00 0.00 H -ATOM 1249 C VAL 80 -7.917 20.873 -51.986 1.00 0.00 C -ATOM 1250 O VAL 80 -7.702 20.979 -53.191 1.00 0.00 O -ATOM 1251 N TRP 81 -8.238 19.663 -51.448 1.00 0.00 N -ATOM 1252 H TRP 81 -8.589 19.735 -50.504 1.00 0.00 H -ATOM 1253 CA TRP 81 -8.238 18.410 -52.165 1.00 0.00 C -ATOM 1254 HA TRP 81 -8.069 18.451 -53.241 1.00 0.00 H -ATOM 1255 CB TRP 81 -7.052 17.544 -51.685 1.00 0.00 C -ATOM 1256 HB2 TRP 81 -7.264 17.327 -50.638 1.00 0.00 H -ATOM 1257 HB3 TRP 81 -7.046 16.558 -52.150 1.00 0.00 H -ATOM 1258 CG TRP 81 -5.741 18.223 -51.709 1.00 0.00 C -ATOM 1259 CD1 TRP 81 -5.284 19.021 -52.738 1.00 0.00 C -ATOM 1260 HD1 TRP 81 -5.877 19.455 -53.529 1.00 0.00 H -ATOM 1261 NE1 TRP 81 -3.950 19.300 -52.610 1.00 0.00 N -ATOM 1262 HE1 TRP 81 -3.437 19.879 -53.258 1.00 0.00 H -ATOM 1263 CE2 TRP 81 -3.405 18.717 -51.529 1.00 0.00 C -ATOM 1264 CZ2 TRP 81 -2.070 18.686 -51.081 1.00 0.00 C -ATOM 1265 HZ2 TRP 81 -1.275 19.074 -51.701 1.00 0.00 H -ATOM 1266 CH2 TRP 81 -1.818 17.918 -49.895 1.00 0.00 C -ATOM 1267 HH2 TRP 81 -0.826 17.677 -49.543 1.00 0.00 H -ATOM 1268 CZ3 TRP 81 -2.895 17.450 -49.194 1.00 0.00 C -ATOM 1269 HZ3 TRP 81 -2.729 16.844 -48.316 1.00 0.00 H -ATOM 1270 CE3 TRP 81 -4.225 17.469 -49.653 1.00 0.00 C -ATOM 1271 HE3 TRP 81 -4.977 16.982 -49.050 1.00 0.00 H -ATOM 1272 CD2 TRP 81 -4.543 18.139 -50.839 1.00 0.00 C -ATOM 1273 C TRP 81 -9.544 17.674 -52.106 1.00 0.00 C -ATOM 1274 O TRP 81 -10.301 17.592 -51.093 1.00 0.00 O -ATOM 1275 N ASP 82 -9.982 17.020 -53.209 1.00 0.00 N -ATOM 1276 H ASP 82 -9.431 17.108 -54.051 1.00 0.00 H -ATOM 1277 CA ASP 82 -11.159 16.075 -53.354 1.00 0.00 C -ATOM 1278 HA ASP 82 -12.116 16.567 -53.182 1.00 0.00 H -ATOM 1279 CB ASP 82 -11.300 15.612 -54.835 1.00 0.00 C -ATOM 1280 HB2 ASP 82 -12.202 15.001 -54.886 1.00 0.00 H -ATOM 1281 HB3 ASP 82 -11.401 16.607 -55.267 1.00 0.00 H -ATOM 1282 CG ASP 82 -10.114 14.778 -55.356 1.00 0.00 C -ATOM 1283 OD1 ASP 82 -10.384 13.733 -56.031 1.00 0.00 O -ATOM 1284 OD2 ASP 82 -8.907 15.151 -55.156 1.00 0.00 O -ATOM 1285 C ASP 82 -11.086 14.873 -52.421 1.00 0.00 C -ATOM 1286 O ASP 82 -12.038 14.111 -52.319 1.00 0.00 O -ATOM 1287 N GLY 83 -9.863 14.561 -51.975 1.00 0.00 N -ATOM 1288 H GLY 83 -9.178 15.293 -52.092 1.00 0.00 H -ATOM 1289 CA GLY 83 -9.467 13.327 -51.389 1.00 0.00 C -ATOM 1290 HA2 GLY 83 -10.086 13.135 -50.513 1.00 0.00 H -ATOM 1291 HA3 GLY 83 -9.550 12.544 -52.144 1.00 0.00 H -ATOM 1292 C GLY 83 -8.019 13.404 -50.879 1.00 0.00 C -ATOM 1293 O GLY 83 -7.339 14.430 -51.092 1.00 0.00 O -ATOM 1294 N LEU 84 -7.491 12.341 -50.219 1.00 0.00 N -ATOM 1295 H LEU 84 -8.136 11.586 -50.034 1.00 0.00 H -ATOM 1296 CA LEU 84 -6.128 12.339 -49.727 1.00 0.00 C -ATOM 1297 HA LEU 84 -5.567 13.181 -50.132 1.00 0.00 H -ATOM 1298 CB LEU 84 -6.209 12.653 -48.173 1.00 0.00 C -ATOM 1299 HB2 LEU 84 -6.726 13.608 -48.078 1.00 0.00 H -ATOM 1300 HB3 LEU 84 -6.727 11.903 -47.575 1.00 0.00 H -ATOM 1301 CG LEU 84 -4.824 12.894 -47.500 1.00 0.00 C -ATOM 1302 HG LEU 84 -4.050 12.145 -47.669 1.00 0.00 H -ATOM 1303 CD1 LEU 84 -4.229 14.219 -47.760 1.00 0.00 C -ATOM 1304 HD11 LEU 84 -4.870 15.044 -47.449 1.00 0.00 H -ATOM 1305 HD12 LEU 84 -3.245 14.206 -47.292 1.00 0.00 H -ATOM 1306 HD13 LEU 84 -4.022 14.252 -48.830 1.00 0.00 H -ATOM 1307 CD2 LEU 84 -5.169 12.888 -46.002 1.00 0.00 C -ATOM 1308 HD21 LEU 84 -5.178 11.841 -45.699 1.00 0.00 H -ATOM 1309 HD22 LEU 84 -4.357 13.405 -45.490 1.00 0.00 H -ATOM 1310 HD23 LEU 84 -6.074 13.441 -45.750 1.00 0.00 H -ATOM 1311 C LEU 84 -5.507 10.922 -50.042 1.00 0.00 C -ATOM 1312 O LEU 84 -6.250 9.904 -50.030 1.00 0.00 O -ATOM 1313 N ASP 85 -4.257 10.885 -50.566 1.00 0.00 N -ATOM 1314 H ASP 85 -3.754 11.731 -50.793 1.00 0.00 H -ATOM 1315 CA ASP 85 -3.659 9.592 -50.949 1.00 0.00 C -ATOM 1316 HA ASP 85 -4.492 8.913 -51.132 1.00 0.00 H -ATOM 1317 CB ASP 85 -2.766 9.817 -52.225 1.00 0.00 C -ATOM 1318 HB2 ASP 85 -2.038 10.603 -52.027 1.00 0.00 H -ATOM 1319 HB3 ASP 85 -2.303 8.861 -52.473 1.00 0.00 H -ATOM 1320 CG ASP 85 -3.671 10.296 -53.321 1.00 0.00 C -ATOM 1321 OD1 ASP 85 -4.060 9.491 -54.213 1.00 0.00 O -ATOM 1322 OD2 ASP 85 -3.790 11.500 -53.503 1.00 0.00 O -ATOM 1323 C ASP 85 -2.631 9.056 -49.973 1.00 0.00 C -ATOM 1324 O ASP 85 -2.412 7.852 -49.888 1.00 0.00 O -ATOM 1325 N ALA 86 -2.047 9.973 -49.123 1.00 0.00 N -ATOM 1326 H ALA 86 -2.349 10.933 -49.204 1.00 0.00 H -ATOM 1327 CA ALA 86 -1.229 9.559 -47.952 1.00 0.00 C -ATOM 1328 HA ALA 86 -1.593 8.590 -47.611 1.00 0.00 H -ATOM 1329 CB ALA 86 0.236 9.420 -48.423 1.00 0.00 C -ATOM 1330 HB1 ALA 86 0.897 9.027 -47.650 1.00 0.00 H -ATOM 1331 HB2 ALA 86 0.187 8.631 -49.173 1.00 0.00 H -ATOM 1332 HB3 ALA 86 0.542 10.350 -48.902 1.00 0.00 H -ATOM 1333 C ALA 86 -1.288 10.540 -46.745 1.00 0.00 C -ATOM 1334 O ALA 86 -1.464 11.739 -46.895 1.00 0.00 O -ATOM 1335 N ILE 87 -1.017 9.998 -45.546 1.00 0.00 N -ATOM 1336 H ILE 87 -1.105 8.992 -45.568 1.00 0.00 H -ATOM 1337 CA ILE 87 -0.736 10.818 -44.337 1.00 0.00 C -ATOM 1338 HA ILE 87 -0.186 11.704 -44.654 1.00 0.00 H -ATOM 1339 CB ILE 87 -2.026 11.256 -43.567 1.00 0.00 C -ATOM 1340 HB ILE 87 -2.524 11.815 -44.360 1.00 0.00 H -ATOM 1341 CG2 ILE 87 -2.841 10.134 -43.060 1.00 0.00 C -ATOM 1342 HG21 ILE 87 -3.744 10.403 -42.512 1.00 0.00 H -ATOM 1343 HG22 ILE 87 -3.086 9.387 -43.816 1.00 0.00 H -ATOM 1344 HG23 ILE 87 -2.299 9.658 -42.243 1.00 0.00 H -ATOM 1345 CG1 ILE 87 -1.765 12.226 -42.370 1.00 0.00 C -ATOM 1346 HG12 ILE 87 -1.161 11.771 -41.584 1.00 0.00 H -ATOM 1347 HG13 ILE 87 -1.208 13.085 -42.746 1.00 0.00 H -ATOM 1348 CD1 ILE 87 -3.076 12.657 -41.667 1.00 0.00 C -ATOM 1349 HD11 ILE 87 -3.352 11.848 -40.990 1.00 0.00 H -ATOM 1350 HD12 ILE 87 -2.840 13.530 -41.059 1.00 0.00 H -ATOM 1351 HD13 ILE 87 -3.831 12.894 -42.416 1.00 0.00 H -ATOM 1352 C ILE 87 0.152 10.012 -43.397 1.00 0.00 C -ATOM 1353 O ILE 87 0.053 8.761 -43.194 1.00 0.00 O -ATOM 1354 N VAL 88 0.958 10.819 -42.656 1.00 0.00 N -ATOM 1355 H VAL 88 0.820 11.820 -42.651 1.00 0.00 H -ATOM 1356 CA VAL 88 1.860 10.245 -41.673 1.00 0.00 C -ATOM 1357 HA VAL 88 1.780 9.158 -41.678 1.00 0.00 H -ATOM 1358 CB VAL 88 3.345 10.498 -41.941 1.00 0.00 C -ATOM 1359 HB VAL 88 3.410 10.161 -42.975 1.00 0.00 H -ATOM 1360 CG1 VAL 88 3.853 11.888 -41.841 1.00 0.00 C -ATOM 1361 HG11 VAL 88 3.122 12.662 -42.077 1.00 0.00 H -ATOM 1362 HG12 VAL 88 4.045 12.156 -40.802 1.00 0.00 H -ATOM 1363 HG13 VAL 88 4.752 12.041 -42.437 1.00 0.00 H -ATOM 1364 CG2 VAL 88 4.321 9.635 -41.152 1.00 0.00 C -ATOM 1365 HG21 VAL 88 3.859 8.648 -41.126 1.00 0.00 H -ATOM 1366 HG22 VAL 88 5.255 9.506 -41.698 1.00 0.00 H -ATOM 1367 HG23 VAL 88 4.528 10.004 -40.147 1.00 0.00 H -ATOM 1368 C VAL 88 1.467 10.801 -40.282 1.00 0.00 C -ATOM 1369 O VAL 88 1.181 11.944 -39.999 1.00 0.00 O -ATOM 1370 N HIS 89 1.648 9.921 -39.308 1.00 0.00 N -ATOM 1371 H HIS 89 1.962 9.022 -39.644 1.00 0.00 H -ATOM 1372 CA HIS 89 1.674 10.076 -37.869 1.00 0.00 C -ATOM 1373 HA HIS 89 1.228 11.044 -37.644 1.00 0.00 H -ATOM 1374 CB HIS 89 0.689 9.003 -37.297 1.00 0.00 C -ATOM 1375 HB2 HIS 89 -0.321 9.228 -37.642 1.00 0.00 H -ATOM 1376 HB3 HIS 89 1.143 8.041 -37.535 1.00 0.00 H -ATOM 1377 CG HIS 89 0.649 9.026 -35.738 1.00 0.00 C -ATOM 1378 ND1 HIS 89 1.450 8.200 -34.996 1.00 0.00 N -ATOM 1379 CE1 HIS 89 1.144 8.423 -33.716 1.00 0.00 C -ATOM 1380 HE1 HIS 89 1.617 7.858 -32.926 1.00 0.00 H -ATOM 1381 NE2 HIS 89 0.019 9.101 -33.634 1.00 0.00 N -ATOM 1382 HE2 HIS 89 -0.568 9.031 -32.816 1.00 0.00 H -ATOM 1383 CD2 HIS 89 -0.303 9.594 -34.887 1.00 0.00 C -ATOM 1384 HD2 HIS 89 -1.228 10.043 -35.217 1.00 0.00 H -ATOM 1385 C HIS 89 3.184 9.975 -37.343 1.00 0.00 C -ATOM 1386 O HIS 89 3.997 9.182 -37.789 1.00 0.00 O -ATOM 1387 N SER 90 3.484 10.768 -36.308 1.00 0.00 N -ATOM 1388 H SER 90 2.735 11.419 -36.124 1.00 0.00 H -ATOM 1389 CA SER 90 4.839 11.170 -35.861 1.00 0.00 C -ATOM 1390 HA SER 90 5.565 10.435 -36.208 1.00 0.00 H -ATOM 1391 CB SER 90 5.085 12.527 -36.511 1.00 0.00 C -ATOM 1392 HB2 SER 90 4.385 13.267 -36.123 1.00 0.00 H -ATOM 1393 HB3 SER 90 6.042 12.918 -36.165 1.00 0.00 H -ATOM 1394 OG SER 90 5.106 12.441 -37.952 1.00 0.00 O -ATOM 1395 HG SER 90 4.979 13.313 -38.333 1.00 0.00 H -ATOM 1396 C SER 90 5.047 11.331 -34.353 1.00 0.00 C -ATOM 1397 O SER 90 6.149 11.454 -33.850 1.00 0.00 O -ATOM 1398 N ILE 91 3.993 11.382 -33.564 1.00 0.00 N -ATOM 1399 H ILE 91 3.113 11.460 -34.054 1.00 0.00 H -ATOM 1400 CA ILE 91 4.020 11.811 -32.156 1.00 0.00 C -ATOM 1401 HA ILE 91 4.860 12.492 -32.019 1.00 0.00 H -ATOM 1402 CB ILE 91 2.835 12.692 -31.791 1.00 0.00 C -ATOM 1403 HB ILE 91 2.981 12.992 -30.753 1.00 0.00 H -ATOM 1404 CG2 ILE 91 2.791 13.970 -32.588 1.00 0.00 C -ATOM 1405 HG21 ILE 91 3.743 14.497 -32.536 1.00 0.00 H -ATOM 1406 HG22 ILE 91 2.561 13.949 -33.653 1.00 0.00 H -ATOM 1407 HG23 ILE 91 1.965 14.601 -32.259 1.00 0.00 H -ATOM 1408 CG1 ILE 91 1.554 11.858 -31.860 1.00 0.00 C -ATOM 1409 HG12 ILE 91 1.245 11.543 -32.856 1.00 0.00 H -ATOM 1410 HG13 ILE 91 1.641 11.017 -31.172 1.00 0.00 H -ATOM 1411 CD1 ILE 91 0.398 12.703 -31.171 1.00 0.00 C -ATOM 1412 HD11 ILE 91 -0.531 12.146 -31.053 1.00 0.00 H -ATOM 1413 HD12 ILE 91 0.635 13.120 -30.192 1.00 0.00 H -ATOM 1414 HD13 ILE 91 0.008 13.468 -31.842 1.00 0.00 H -ATOM 1415 C ILE 91 4.355 10.720 -31.098 1.00 0.00 C -ATOM 1416 O ILE 91 4.209 9.505 -31.354 1.00 0.00 O -ATOM 1417 N ALA 92 4.861 11.218 -29.932 1.00 0.00 N -ATOM 1418 H ALA 92 5.035 12.213 -29.955 1.00 0.00 H -ATOM 1419 CA ALA 92 4.980 10.403 -28.700 1.00 0.00 C -ATOM 1420 HA ALA 92 4.080 9.804 -28.563 1.00 0.00 H -ATOM 1421 CB ALA 92 6.235 9.544 -28.811 1.00 0.00 C -ATOM 1422 HB1 ALA 92 6.198 8.897 -29.688 1.00 0.00 H -ATOM 1423 HB2 ALA 92 7.180 10.086 -28.822 1.00 0.00 H -ATOM 1424 HB3 ALA 92 6.317 8.825 -27.996 1.00 0.00 H -ATOM 1425 C ALA 92 5.255 11.233 -27.406 1.00 0.00 C -ATOM 1426 O ALA 92 5.797 12.301 -27.525 1.00 0.00 O -ATOM 1427 N PHE 93 4.977 10.649 -26.220 1.00 0.00 N -ATOM 1428 H PHE 93 4.587 9.718 -26.250 1.00 0.00 H -ATOM 1429 CA PHE 93 5.059 11.332 -24.954 1.00 0.00 C -ATOM 1430 HA PHE 93 5.876 12.046 -24.853 1.00 0.00 H -ATOM 1431 CB PHE 93 3.709 11.983 -24.624 1.00 0.00 C -ATOM 1432 HB2 PHE 93 3.426 12.756 -25.339 1.00 0.00 H -ATOM 1433 HB3 PHE 93 2.933 11.219 -24.580 1.00 0.00 H -ATOM 1434 CG PHE 93 3.781 12.656 -23.247 1.00 0.00 C -ATOM 1435 CD1 PHE 93 4.350 13.956 -23.191 1.00 0.00 C -ATOM 1436 HD1 PHE 93 4.738 14.437 -24.077 1.00 0.00 H -ATOM 1437 CE1 PHE 93 4.371 14.613 -21.945 1.00 0.00 C -ATOM 1438 HE1 PHE 93 4.745 15.626 -21.969 1.00 0.00 H -ATOM 1439 CZ PHE 93 3.835 13.969 -20.747 1.00 0.00 C -ATOM 1440 HZ PHE 93 3.747 14.569 -19.853 1.00 0.00 H -ATOM 1441 CE2 PHE 93 3.320 12.648 -20.868 1.00 0.00 C -ATOM 1442 HE2 PHE 93 2.789 12.227 -20.027 1.00 0.00 H -ATOM 1443 CD2 PHE 93 3.264 12.054 -22.119 1.00 0.00 C -ATOM 1444 HD2 PHE 93 2.866 11.053 -22.184 1.00 0.00 H -ATOM 1445 C PHE 93 5.325 10.295 -23.869 1.00 0.00 C -ATOM 1446 O PHE 93 4.816 9.188 -23.986 1.00 0.00 O -ATOM 1447 N ALA 94 6.103 10.585 -22.869 1.00 0.00 N -ATOM 1448 H ALA 94 6.436 11.536 -22.937 1.00 0.00 H -ATOM 1449 CA ALA 94 6.114 9.989 -21.518 1.00 0.00 C -ATOM 1450 HA ALA 94 5.084 9.753 -21.251 1.00 0.00 H -ATOM 1451 CB ALA 94 6.948 8.700 -21.548 1.00 0.00 C -ATOM 1452 HB1 ALA 94 6.944 8.327 -20.524 1.00 0.00 H -ATOM 1453 HB2 ALA 94 6.559 7.961 -22.248 1.00 0.00 H -ATOM 1454 HB3 ALA 94 7.930 9.028 -21.889 1.00 0.00 H -ATOM 1455 C ALA 94 6.708 10.991 -20.551 1.00 0.00 C -ATOM 1456 O ALA 94 7.710 11.622 -20.838 1.00 0.00 O -ATOM 1457 N PRO 95 6.116 11.166 -19.393 1.00 0.00 N -ATOM 1458 CD PRO 95 5.087 10.336 -18.725 1.00 0.00 C -ATOM 1459 HD2 PRO 95 5.392 9.290 -18.747 1.00 0.00 H -ATOM 1460 HD3 PRO 95 4.114 10.468 -19.198 1.00 0.00 H -ATOM 1461 CG PRO 95 5.049 10.761 -17.278 1.00 0.00 C -ATOM 1462 HG2 PRO 95 5.789 10.270 -16.647 1.00 0.00 H -ATOM 1463 HG3 PRO 95 4.107 10.751 -16.730 1.00 0.00 H -ATOM 1464 CB PRO 95 5.636 12.186 -17.394 1.00 0.00 C -ATOM 1465 HB2 PRO 95 6.141 12.437 -16.460 1.00 0.00 H -ATOM 1466 HB3 PRO 95 4.819 12.873 -17.611 1.00 0.00 H -ATOM 1467 CA PRO 95 6.659 12.171 -18.471 1.00 0.00 C -ATOM 1468 HA PRO 95 6.808 13.077 -19.059 1.00 0.00 H -ATOM 1469 C PRO 95 8.077 11.732 -17.978 1.00 0.00 C -ATOM 1470 O PRO 95 8.333 10.522 -17.768 1.00 0.00 O -ATOM 1471 N ARG 96 8.993 12.719 -17.929 1.00 0.00 N -ATOM 1472 H ARG 96 8.739 13.673 -18.144 1.00 0.00 H -ATOM 1473 CA ARG 96 10.425 12.561 -17.821 1.00 0.00 C -ATOM 1474 HA ARG 96 10.775 11.845 -18.565 1.00 0.00 H -ATOM 1475 CB ARG 96 11.160 13.870 -18.166 1.00 0.00 C -ATOM 1476 HB2 ARG 96 10.888 14.066 -19.203 1.00 0.00 H -ATOM 1477 HB3 ARG 96 10.772 14.690 -17.561 1.00 0.00 H -ATOM 1478 CG ARG 96 12.716 13.723 -18.157 1.00 0.00 C -ATOM 1479 HG2 ARG 96 13.035 14.732 -18.419 1.00 0.00 H -ATOM 1480 HG3 ARG 96 13.039 13.476 -17.146 1.00 0.00 H -ATOM 1481 CD ARG 96 13.221 12.815 -19.251 1.00 0.00 C -ATOM 1482 HD2 ARG 96 14.311 12.792 -19.262 1.00 0.00 H -ATOM 1483 HD3 ARG 96 12.989 11.782 -18.993 1.00 0.00 H -ATOM 1484 NE ARG 96 12.719 13.232 -20.566 1.00 0.00 N -ATOM 1485 HE ARG 96 11.851 12.793 -20.836 1.00 0.00 H -ATOM 1486 CZ ARG 96 13.259 14.097 -21.425 1.00 0.00 C -ATOM 1487 NH1 ARG 96 14.412 14.700 -21.229 1.00 0.00 N -ATOM 1488 HH11 ARG 96 14.816 14.599 -20.308 1.00 0.00 H -ATOM 1489 HH12 ARG 96 14.890 15.247 -21.930 1.00 0.00 H -ATOM 1490 NH2 ARG 96 12.812 14.106 -22.614 1.00 0.00 N -ATOM 1491 HH21 ARG 96 12.074 13.445 -22.813 1.00 0.00 H -ATOM 1492 HH22 ARG 96 13.270 14.669 -23.316 1.00 0.00 H -ATOM 1493 C ARG 96 10.910 11.969 -16.526 1.00 0.00 C -ATOM 1494 O ARG 96 11.689 11.075 -16.559 1.00 0.00 O -ATOM 1495 N ASP 97 10.369 12.231 -15.320 1.00 0.00 N -ATOM 1496 H ASP 97 9.671 12.961 -15.335 1.00 0.00 H -ATOM 1497 CA ASP 97 10.579 11.495 -14.065 1.00 0.00 C -ATOM 1498 HA ASP 97 11.652 11.538 -13.878 1.00 0.00 H -ATOM 1499 CB ASP 97 9.822 12.118 -12.932 1.00 0.00 C -ATOM 1500 HB2 ASP 97 10.258 13.116 -12.884 1.00 0.00 H -ATOM 1501 HB3 ASP 97 8.741 12.137 -13.073 1.00 0.00 H -ATOM 1502 CG ASP 97 10.152 11.319 -11.672 1.00 0.00 C -ATOM 1503 OD1 ASP 97 9.200 10.689 -11.119 1.00 0.00 O -ATOM 1504 OD2 ASP 97 11.302 11.243 -11.242 1.00 0.00 O -ATOM 1505 C ASP 97 10.262 10.000 -14.165 1.00 0.00 C -ATOM 1506 O ASP 97 11.014 9.214 -13.611 1.00 0.00 O -ATOM 1507 N GLN 98 9.387 9.598 -15.086 1.00 0.00 N -ATOM 1508 H GLN 98 8.882 10.222 -15.699 1.00 0.00 H -ATOM 1509 CA GLN 98 9.092 8.155 -15.238 1.00 0.00 C -ATOM 1510 HA GLN 98 9.304 7.643 -14.299 1.00 0.00 H -ATOM 1511 CB GLN 98 7.605 7.921 -15.538 1.00 0.00 C -ATOM 1512 HB2 GLN 98 7.231 8.370 -16.457 1.00 0.00 H -ATOM 1513 HB3 GLN 98 7.390 6.855 -15.617 1.00 0.00 H -ATOM 1514 CG GLN 98 6.858 8.259 -14.287 1.00 0.00 C -ATOM 1515 HG2 GLN 98 7.307 7.864 -13.376 1.00 0.00 H -ATOM 1516 HG3 GLN 98 6.915 9.338 -14.146 1.00 0.00 H -ATOM 1517 CD GLN 98 5.385 7.851 -14.253 1.00 0.00 C -ATOM 1518 OE1 GLN 98 4.450 8.607 -14.450 1.00 0.00 O -ATOM 1519 NE2 GLN 98 5.255 6.587 -13.986 1.00 0.00 N -ATOM 1520 HE21 GLN 98 4.289 6.304 -13.892 1.00 0.00 H -ATOM 1521 HE22 GLN 98 6.039 6.021 -13.695 1.00 0.00 H -ATOM 1522 C GLN 98 10.010 7.520 -16.292 1.00 0.00 C -ATOM 1523 O GLN 98 9.783 6.424 -16.774 1.00 0.00 O -ATOM 1524 N LEU 99 11.044 8.358 -16.663 1.00 0.00 N -ATOM 1525 H LEU 99 10.967 9.337 -16.425 1.00 0.00 H -ATOM 1526 CA LEU 99 12.143 7.913 -17.456 1.00 0.00 C -ATOM 1527 HA LEU 99 12.041 6.849 -17.672 1.00 0.00 H -ATOM 1528 CB LEU 99 12.264 8.752 -18.763 1.00 0.00 C -ATOM 1529 HB2 LEU 99 12.642 9.735 -18.481 1.00 0.00 H -ATOM 1530 HB3 LEU 99 13.119 8.383 -19.329 1.00 0.00 H -ATOM 1531 CG LEU 99 11.010 8.839 -19.568 1.00 0.00 C -ATOM 1532 HG LEU 99 10.200 9.311 -19.012 1.00 0.00 H -ATOM 1533 CD1 LEU 99 11.242 9.666 -20.809 1.00 0.00 C -ATOM 1534 HD11 LEU 99 10.328 9.770 -21.394 1.00 0.00 H -ATOM 1535 HD12 LEU 99 11.494 10.672 -20.471 1.00 0.00 H -ATOM 1536 HD13 LEU 99 12.019 9.201 -21.416 1.00 0.00 H -ATOM 1537 CD2 LEU 99 10.486 7.560 -20.025 1.00 0.00 C -ATOM 1538 HD21 LEU 99 9.925 7.630 -20.957 1.00 0.00 H -ATOM 1539 HD22 LEU 99 11.378 6.958 -20.200 1.00 0.00 H -ATOM 1540 HD23 LEU 99 9.976 7.035 -19.217 1.00 0.00 H -ATOM 1541 C LEU 99 13.472 8.038 -16.694 1.00 0.00 C -ATOM 1542 O LEU 99 14.284 7.105 -16.760 1.00 0.00 O -ATOM 1543 N GLU 100 13.668 9.103 -15.959 1.00 0.00 N -ATOM 1544 H GLU 100 13.009 9.866 -16.001 1.00 0.00 H -ATOM 1545 CA GLU 100 14.895 9.179 -15.150 1.00 0.00 C -ATOM 1546 HA GLU 100 15.713 8.821 -15.775 1.00 0.00 H -ATOM 1547 CB GLU 100 15.118 10.686 -14.825 1.00 0.00 C -ATOM 1548 HB2 GLU 100 14.237 11.078 -14.318 1.00 0.00 H -ATOM 1549 HB3 GLU 100 15.953 10.848 -14.143 1.00 0.00 H -ATOM 1550 CG GLU 100 15.392 11.572 -15.956 1.00 0.00 C -ATOM 1551 HG2 GLU 100 14.634 11.561 -16.740 1.00 0.00 H -ATOM 1552 HG3 GLU 100 15.252 12.603 -15.631 1.00 0.00 H -ATOM 1553 CD GLU 100 16.705 11.250 -16.774 1.00 0.00 C -ATOM 1554 OE1 GLU 100 17.857 11.707 -16.497 1.00 0.00 O -ATOM 1555 OE2 GLU 100 16.508 10.507 -17.791 1.00 0.00 O -ATOM 1556 C GLU 100 14.869 8.307 -13.840 1.00 0.00 C -ATOM 1557 O GLU 100 15.896 8.169 -13.147 1.00 0.00 O -ATOM 1558 N GLY 101 13.772 7.641 -13.448 1.00 0.00 N -ATOM 1559 H GLY 101 13.020 7.737 -14.115 1.00 0.00 H -ATOM 1560 CA GLY 101 13.590 6.542 -12.499 1.00 0.00 C -ATOM 1561 HA2 GLY 101 14.217 6.803 -11.647 1.00 0.00 H -ATOM 1562 HA3 GLY 101 12.551 6.377 -12.216 1.00 0.00 H -ATOM 1563 C GLY 101 14.129 5.198 -12.953 1.00 0.00 C -ATOM 1564 O GLY 101 14.479 5.049 -14.133 1.00 0.00 O -ATOM 1565 N ASN 102 14.225 4.257 -12.085 1.00 0.00 N -ATOM 1566 H ASN 102 13.793 4.429 -11.189 1.00 0.00 H -ATOM 1567 CA ASN 102 14.682 2.942 -12.252 1.00 0.00 C -ATOM 1568 HA ASN 102 15.617 2.789 -12.791 1.00 0.00 H -ATOM 1569 CB ASN 102 15.093 2.301 -10.867 1.00 0.00 C -ATOM 1570 HB2 ASN 102 15.989 2.716 -10.405 1.00 0.00 H -ATOM 1571 HB3 ASN 102 14.190 2.461 -10.278 1.00 0.00 H -ATOM 1572 CG ASN 102 15.339 0.809 -10.905 1.00 0.00 C -ATOM 1573 OD1 ASN 102 15.702 0.206 -11.900 1.00 0.00 O -ATOM 1574 ND2 ASN 102 15.048 0.068 -9.802 1.00 0.00 N -ATOM 1575 HD21 ASN 102 14.808 -0.905 -9.926 1.00 0.00 H -ATOM 1576 HD22 ASN 102 14.929 0.506 -8.900 1.00 0.00 H -ATOM 1577 C ASN 102 13.585 2.089 -12.999 1.00 0.00 C -ATOM 1578 O ASN 102 12.429 2.024 -12.565 1.00 0.00 O -ATOM 1579 N PHE 103 13.924 1.328 -14.041 1.00 0.00 N -ATOM 1580 H PHE 103 14.863 1.394 -14.409 1.00 0.00 H -ATOM 1581 CA PHE 103 12.899 0.634 -14.877 1.00 0.00 C -ATOM 1582 HA PHE 103 12.188 1.444 -15.042 1.00 0.00 H -ATOM 1583 CB PHE 103 13.411 0.042 -16.210 1.00 0.00 C -ATOM 1584 HB2 PHE 103 12.579 -0.101 -16.899 1.00 0.00 H -ATOM 1585 HB3 PHE 103 14.166 0.673 -16.678 1.00 0.00 H -ATOM 1586 CG PHE 103 14.024 -1.311 -16.049 1.00 0.00 C -ATOM 1587 CD1 PHE 103 15.350 -1.483 -15.617 1.00 0.00 C -ATOM 1588 HD1 PHE 103 15.978 -0.624 -15.434 1.00 0.00 H -ATOM 1589 CE1 PHE 103 15.921 -2.739 -15.747 1.00 0.00 C -ATOM 1590 HE1 PHE 103 16.993 -2.795 -15.628 1.00 0.00 H -ATOM 1591 CZ PHE 103 15.183 -3.839 -16.194 1.00 0.00 C -ATOM 1592 HZ PHE 103 15.652 -4.811 -16.243 1.00 0.00 H -ATOM 1593 CE2 PHE 103 13.806 -3.710 -16.474 1.00 0.00 C -ATOM 1594 HE2 PHE 103 13.194 -4.575 -16.684 1.00 0.00 H -ATOM 1595 CD2 PHE 103 13.268 -2.444 -16.415 1.00 0.00 C -ATOM 1596 HD2 PHE 103 12.236 -2.397 -16.731 1.00 0.00 H -ATOM 1597 C PHE 103 12.091 -0.408 -14.066 1.00 0.00 C -ATOM 1598 O PHE 103 10.931 -0.624 -14.420 1.00 0.00 O -ATOM 1599 N ILE 104 12.661 -0.894 -12.979 1.00 0.00 N -ATOM 1600 H ILE 104 13.666 -0.797 -12.957 1.00 0.00 H -ATOM 1601 CA ILE 104 11.983 -1.813 -12.113 1.00 0.00 C -ATOM 1602 HA ILE 104 11.563 -2.523 -12.825 1.00 0.00 H -ATOM 1603 CB ILE 104 12.977 -2.646 -11.257 1.00 0.00 C -ATOM 1604 HB ILE 104 13.628 -1.963 -10.711 1.00 0.00 H -ATOM 1605 CG2 ILE 104 12.332 -3.459 -10.129 1.00 0.00 C -ATOM 1606 HG21 ILE 104 13.094 -3.919 -9.499 1.00 0.00 H -ATOM 1607 HG22 ILE 104 11.580 -2.966 -9.513 1.00 0.00 H -ATOM 1608 HG23 ILE 104 11.704 -4.279 -10.478 1.00 0.00 H -ATOM 1609 CG1 ILE 104 13.812 -3.510 -12.196 1.00 0.00 C -ATOM 1610 HG12 ILE 104 13.235 -4.361 -12.557 1.00 0.00 H -ATOM 1611 HG13 ILE 104 14.287 -2.980 -13.021 1.00 0.00 H -ATOM 1612 CD1 ILE 104 15.060 -4.046 -11.466 1.00 0.00 C -ATOM 1613 HD11 ILE 104 15.571 -3.240 -10.940 1.00 0.00 H -ATOM 1614 HD12 ILE 104 14.791 -4.949 -10.917 1.00 0.00 H -ATOM 1615 HD13 ILE 104 15.806 -4.429 -12.163 1.00 0.00 H -ATOM 1616 C ILE 104 10.819 -1.174 -11.338 1.00 0.00 C -ATOM 1617 O ILE 104 9.896 -1.923 -11.009 1.00 0.00 O -ATOM 1618 N ASP 105 10.774 0.153 -11.129 1.00 0.00 N -ATOM 1619 H ASP 105 11.561 0.687 -11.468 1.00 0.00 H -ATOM 1620 CA ASP 105 9.701 0.760 -10.275 1.00 0.00 C -ATOM 1621 HA ASP 105 8.834 0.114 -10.134 1.00 0.00 H -ATOM 1622 CB ASP 105 10.184 1.154 -8.855 1.00 0.00 C -ATOM 1623 HB2 ASP 105 11.006 0.504 -8.555 1.00 0.00 H -ATOM 1624 HB3 ASP 105 10.597 2.153 -9.002 1.00 0.00 H -ATOM 1625 CG ASP 105 9.018 0.993 -7.821 1.00 0.00 C -ATOM 1626 OD1 ASP 105 9.301 1.430 -6.707 1.00 0.00 O -ATOM 1627 OD2 ASP 105 8.004 0.286 -8.086 1.00 0.00 O -ATOM 1628 C ASP 105 9.087 1.989 -10.926 1.00 0.00 C -ATOM 1629 O ASP 105 7.886 2.261 -10.767 1.00 0.00 O -ATOM 1630 N CYS 106 9.734 2.705 -11.769 1.00 0.00 N -ATOM 1631 H CYS 106 10.688 2.430 -11.953 1.00 0.00 H -ATOM 1632 CA CYS 106 9.242 3.985 -12.201 1.00 0.00 C -ATOM 1633 HA CYS 106 8.840 4.522 -11.342 1.00 0.00 H -ATOM 1634 CB CYS 106 10.401 4.813 -12.682 1.00 0.00 C -ATOM 1635 HB2 CYS 106 10.130 5.866 -12.763 1.00 0.00 H -ATOM 1636 HB3 CYS 106 11.163 4.786 -11.903 1.00 0.00 H -ATOM 1637 SG CYS 106 10.921 4.412 -14.378 1.00 0.00 S -ATOM 1638 HG CYS 106 11.235 3.147 -14.083 1.00 0.00 H -ATOM 1639 C CYS 106 8.154 3.837 -13.250 1.00 0.00 C -ATOM 1640 O CYS 106 7.567 4.850 -13.650 1.00 0.00 O -ATOM 1641 N VAL 107 7.886 2.630 -13.785 1.00 0.00 N -ATOM 1642 H VAL 107 8.408 1.823 -13.474 1.00 0.00 H -ATOM 1643 CA VAL 107 6.870 2.394 -14.812 1.00 0.00 C -ATOM 1644 HA VAL 107 6.816 3.345 -15.341 1.00 0.00 H -ATOM 1645 CB VAL 107 7.200 1.206 -15.753 1.00 0.00 C -ATOM 1646 HB VAL 107 7.187 0.266 -15.202 1.00 0.00 H -ATOM 1647 CG1 VAL 107 6.262 1.196 -17.009 1.00 0.00 C -ATOM 1648 HG11 VAL 107 6.573 0.455 -17.747 1.00 0.00 H -ATOM 1649 HG12 VAL 107 5.301 0.902 -16.588 1.00 0.00 H -ATOM 1650 HG13 VAL 107 6.201 2.222 -17.372 1.00 0.00 H -ATOM 1651 CG2 VAL 107 8.678 1.368 -16.275 1.00 0.00 C -ATOM 1652 HG21 VAL 107 9.351 1.380 -15.417 1.00 0.00 H -ATOM 1653 HG22 VAL 107 8.901 0.469 -16.849 1.00 0.00 H -ATOM 1654 HG23 VAL 107 8.888 2.188 -16.961 1.00 0.00 H -ATOM 1655 C VAL 107 5.609 2.173 -14.004 1.00 0.00 C -ATOM 1656 O VAL 107 5.615 1.429 -13.051 1.00 0.00 O -ATOM 1657 N THR 108 4.523 2.782 -14.366 1.00 0.00 N -ATOM 1658 H THR 108 4.563 3.406 -15.160 1.00 0.00 H -ATOM 1659 CA THR 108 3.185 2.401 -13.819 1.00 0.00 C -ATOM 1660 HA THR 108 3.171 1.522 -13.175 1.00 0.00 H -ATOM 1661 CB THR 108 2.720 3.530 -12.864 1.00 0.00 C -ATOM 1662 HB THR 108 1.698 3.249 -12.610 1.00 0.00 H -ATOM 1663 CG2 THR 108 3.533 3.549 -11.585 1.00 0.00 C -ATOM 1664 HG21 THR 108 3.027 4.127 -10.812 1.00 0.00 H -ATOM 1665 HG22 THR 108 3.791 2.561 -11.204 1.00 0.00 H -ATOM 1666 HG23 THR 108 4.488 3.978 -11.888 1.00 0.00 H -ATOM 1667 OG1 THR 108 2.665 4.814 -13.590 1.00 0.00 O -ATOM 1668 HG1 THR 108 2.462 5.529 -12.983 1.00 0.00 H -ATOM 1669 C THR 108 2.160 2.078 -14.915 1.00 0.00 C -ATOM 1670 O THR 108 2.406 2.399 -16.074 1.00 0.00 O -ATOM 1671 N ARG 109 1.108 1.342 -14.602 1.00 0.00 N -ATOM 1672 H ARG 109 1.007 1.048 -13.641 1.00 0.00 H -ATOM 1673 CA ARG 109 -0.052 1.109 -15.550 1.00 0.00 C -ATOM 1674 HA ARG 109 0.366 0.887 -16.532 1.00 0.00 H -ATOM 1675 CB ARG 109 -0.873 -0.049 -14.977 1.00 0.00 C -ATOM 1676 HB2 ARG 109 -0.110 -0.827 -14.982 1.00 0.00 H -ATOM 1677 HB3 ARG 109 -1.221 0.217 -13.979 1.00 0.00 H -ATOM 1678 CG ARG 109 -2.068 -0.422 -15.844 1.00 0.00 C -ATOM 1679 HG2 ARG 109 -2.960 0.179 -15.667 1.00 0.00 H -ATOM 1680 HG3 ARG 109 -1.750 -0.440 -16.886 1.00 0.00 H -ATOM 1681 CD ARG 109 -2.751 -1.790 -15.573 1.00 0.00 C -ATOM 1682 HD2 ARG 109 -3.712 -1.747 -16.085 1.00 0.00 H -ATOM 1683 HD3 ARG 109 -2.224 -2.576 -16.114 1.00 0.00 H -ATOM 1684 NE ARG 109 -2.981 -2.036 -14.155 1.00 0.00 N -ATOM 1685 HE ARG 109 -2.339 -1.588 -13.517 1.00 0.00 H -ATOM 1686 CZ ARG 109 -3.774 -3.002 -13.659 1.00 0.00 C -ATOM 1687 NH1 ARG 109 -4.512 -3.694 -14.466 1.00 0.00 N -ATOM 1688 HH11 ARG 109 -4.407 -3.549 -15.460 1.00 0.00 H -ATOM 1689 HH12 ARG 109 -5.224 -4.353 -14.185 1.00 0.00 H -ATOM 1690 NH2 ARG 109 -3.854 -3.258 -12.419 1.00 0.00 N -ATOM 1691 HH21 ARG 109 -3.154 -2.871 -11.802 1.00 0.00 H -ATOM 1692 HH22 ARG 109 -4.490 -3.991 -12.139 1.00 0.00 H -ATOM 1693 C ARG 109 -0.861 2.372 -15.644 1.00 0.00 C -ATOM 1694 O ARG 109 -1.485 2.578 -16.664 1.00 0.00 O -ATOM 1695 N GLU 110 -0.866 3.221 -14.606 1.00 0.00 N -ATOM 1696 H GLU 110 -0.515 2.948 -13.699 1.00 0.00 H -ATOM 1697 CA GLU 110 -1.188 4.651 -14.721 1.00 0.00 C -ATOM 1698 HA GLU 110 -2.245 4.714 -14.982 1.00 0.00 H -ATOM 1699 CB GLU 110 -1.073 5.345 -13.394 1.00 0.00 C -ATOM 1700 HB2 GLU 110 -0.176 5.034 -12.859 1.00 0.00 H -ATOM 1701 HB3 GLU 110 -0.856 6.403 -13.538 1.00 0.00 H -ATOM 1702 CG GLU 110 -2.420 5.059 -12.723 1.00 0.00 C -ATOM 1703 HG2 GLU 110 -3.252 5.616 -13.154 1.00 0.00 H -ATOM 1704 HG3 GLU 110 -2.822 4.050 -12.814 1.00 0.00 H -ATOM 1705 CD GLU 110 -2.441 5.385 -11.266 1.00 0.00 C -ATOM 1706 OE1 GLU 110 -2.380 6.585 -10.803 1.00 0.00 O -ATOM 1707 OE2 GLU 110 -2.582 4.381 -10.507 1.00 0.00 O -ATOM 1708 C GLU 110 -0.445 5.390 -15.835 1.00 0.00 C -ATOM 1709 O GLU 110 -1.017 5.942 -16.809 1.00 0.00 O -ATOM 1710 N GLY 111 0.886 5.270 -15.797 1.00 0.00 N -ATOM 1711 H GLY 111 1.238 4.952 -14.905 1.00 0.00 H -ATOM 1712 CA GLY 111 1.803 6.027 -16.575 1.00 0.00 C -ATOM 1713 HA2 GLY 111 1.629 7.098 -16.676 1.00 0.00 H -ATOM 1714 HA3 GLY 111 2.792 5.971 -16.118 1.00 0.00 H -ATOM 1715 C GLY 111 1.898 5.470 -18.005 1.00 0.00 C -ATOM 1716 O GLY 111 2.276 6.170 -18.955 1.00 0.00 O -ATOM 1717 N PHE 112 1.379 4.230 -18.169 1.00 0.00 N -ATOM 1718 H PHE 112 1.214 3.789 -17.276 1.00 0.00 H -ATOM 1719 CA PHE 112 1.218 3.539 -19.428 1.00 0.00 C -ATOM 1720 HA PHE 112 1.986 3.755 -20.171 1.00 0.00 H -ATOM 1721 CB PHE 112 1.169 2.053 -19.201 1.00 0.00 C -ATOM 1722 HB2 PHE 112 2.075 1.730 -18.690 1.00 0.00 H -ATOM 1723 HB3 PHE 112 0.334 1.790 -18.552 1.00 0.00 H -ATOM 1724 CG PHE 112 1.002 1.142 -20.359 1.00 0.00 C -ATOM 1725 CD1 PHE 112 1.196 1.564 -21.653 1.00 0.00 C -ATOM 1726 HD1 PHE 112 1.672 2.510 -21.862 1.00 0.00 H -ATOM 1727 CE1 PHE 112 0.857 0.820 -22.778 1.00 0.00 C -ATOM 1728 HE1 PHE 112 1.168 1.105 -23.772 1.00 0.00 H -ATOM 1729 CZ PHE 112 0.299 -0.445 -22.634 1.00 0.00 C -ATOM 1730 HZ PHE 112 0.085 -0.967 -23.555 1.00 0.00 H -ATOM 1731 CE2 PHE 112 0.021 -0.922 -21.352 1.00 0.00 C -ATOM 1732 HE2 PHE 112 -0.384 -1.891 -21.098 1.00 0.00 H -ATOM 1733 CD2 PHE 112 0.353 -0.095 -20.220 1.00 0.00 C -ATOM 1734 HD2 PHE 112 0.128 -0.428 -19.218 1.00 0.00 H -ATOM 1735 C PHE 112 -0.149 4.033 -20.042 1.00 0.00 C -ATOM 1736 O PHE 112 -0.188 4.328 -21.238 1.00 0.00 O -ATOM 1737 N SER 113 -1.202 4.283 -19.253 1.00 0.00 N -ATOM 1738 H SER 113 -1.055 4.255 -18.254 1.00 0.00 H -ATOM 1739 CA SER 113 -2.521 4.663 -19.737 1.00 0.00 C -ATOM 1740 HA SER 113 -2.681 3.966 -20.560 1.00 0.00 H -ATOM 1741 CB SER 113 -3.643 4.496 -18.729 1.00 0.00 C -ATOM 1742 HB2 SER 113 -3.411 5.046 -17.818 1.00 0.00 H -ATOM 1743 HB3 SER 113 -4.661 4.742 -19.028 1.00 0.00 H -ATOM 1744 OG SER 113 -3.768 3.059 -18.379 1.00 0.00 O -ATOM 1745 HG SER 113 -3.075 2.898 -17.734 1.00 0.00 H -ATOM 1746 C SER 113 -2.558 6.089 -20.281 1.00 0.00 C -ATOM 1747 O SER 113 -3.117 6.296 -21.372 1.00 0.00 O -ATOM 1748 N ILE 114 -1.930 7.037 -19.630 1.00 0.00 N -ATOM 1749 H ILE 114 -1.320 6.775 -18.869 1.00 0.00 H -ATOM 1750 CA ILE 114 -1.804 8.424 -20.200 1.00 0.00 C -ATOM 1751 HA ILE 114 -2.718 8.858 -20.605 1.00 0.00 H -ATOM 1752 CB ILE 114 -1.238 9.385 -19.102 1.00 0.00 C -ATOM 1753 HB ILE 114 -1.076 10.397 -19.472 1.00 0.00 H -ATOM 1754 CG2 ILE 114 -2.373 9.544 -17.995 1.00 0.00 C -ATOM 1755 HG21 ILE 114 -3.160 10.217 -18.335 1.00 0.00 H -ATOM 1756 HG22 ILE 114 -2.872 8.596 -17.793 1.00 0.00 H -ATOM 1757 HG23 ILE 114 -1.938 9.965 -17.089 1.00 0.00 H -ATOM 1758 CG1 ILE 114 0.157 9.033 -18.622 1.00 0.00 C -ATOM 1759 HG12 ILE 114 0.094 8.073 -18.109 1.00 0.00 H -ATOM 1760 HG13 ILE 114 0.848 8.889 -19.453 1.00 0.00 H -ATOM 1761 CD1 ILE 114 0.850 10.063 -17.675 1.00 0.00 C -ATOM 1762 HD11 ILE 114 1.816 9.615 -17.441 1.00 0.00 H -ATOM 1763 HD12 ILE 114 1.076 10.977 -18.225 1.00 0.00 H -ATOM 1764 HD13 ILE 114 0.346 10.168 -16.715 1.00 0.00 H -ATOM 1765 C ILE 114 -0.831 8.453 -21.446 1.00 0.00 C -ATOM 1766 O ILE 114 -1.046 9.174 -22.328 1.00 0.00 O -ATOM 1767 N ALA 115 0.278 7.664 -21.407 1.00 0.00 N -ATOM 1768 H ALA 115 0.386 7.002 -20.652 1.00 0.00 H -ATOM 1769 CA ALA 115 1.181 7.694 -22.586 1.00 0.00 C -ATOM 1770 HA ALA 115 1.307 8.740 -22.864 1.00 0.00 H -ATOM 1771 CB ALA 115 2.571 7.264 -22.036 1.00 0.00 C -ATOM 1772 HB1 ALA 115 3.366 7.441 -22.761 1.00 0.00 H -ATOM 1773 HB2 ALA 115 2.705 7.856 -21.131 1.00 0.00 H -ATOM 1774 HB3 ALA 115 2.539 6.198 -21.813 1.00 0.00 H -ATOM 1775 C ALA 115 0.748 6.990 -23.877 1.00 0.00 C -ATOM 1776 O ALA 115 0.924 7.444 -24.985 1.00 0.00 O -ATOM 1777 N HIS 116 0.070 5.878 -23.672 1.00 0.00 N -ATOM 1778 H HIS 116 -0.075 5.492 -22.750 1.00 0.00 H -ATOM 1779 CA HIS 116 -0.494 5.066 -24.753 1.00 0.00 C -ATOM 1780 HA HIS 116 0.300 4.785 -25.445 1.00 0.00 H -ATOM 1781 CB HIS 116 -1.102 3.855 -24.070 1.00 0.00 C -ATOM 1782 HB2 HIS 116 -0.275 3.245 -23.704 1.00 0.00 H -ATOM 1783 HB3 HIS 116 -1.720 4.033 -23.190 1.00 0.00 H -ATOM 1784 CG HIS 116 -1.909 2.966 -25.018 1.00 0.00 C -ATOM 1785 ND1 HIS 116 -1.405 2.408 -26.168 1.00 0.00 N -ATOM 1786 CE1 HIS 116 -2.487 1.869 -26.841 1.00 0.00 C -ATOM 1787 HE1 HIS 116 -2.452 1.213 -27.698 1.00 0.00 H -ATOM 1788 NE2 HIS 116 -3.624 2.019 -26.132 1.00 0.00 N -ATOM 1789 HE2 HIS 116 -4.556 1.666 -26.297 1.00 0.00 H -ATOM 1790 CD2 HIS 116 -3.316 2.823 -25.031 1.00 0.00 C -ATOM 1791 HD2 HIS 116 -4.004 3.262 -24.324 1.00 0.00 H -ATOM 1792 C HIS 116 -1.661 5.775 -25.493 1.00 0.00 C -ATOM 1793 O HIS 116 -1.794 5.655 -26.707 1.00 0.00 O -ATOM 1794 N ASP 117 -2.368 6.572 -24.726 1.00 0.00 N -ATOM 1795 H ASP 117 -2.124 6.470 -23.751 1.00 0.00 H -ATOM 1796 CA ASP 117 -3.249 7.593 -25.208 1.00 0.00 C -ATOM 1797 HA ASP 117 -3.989 7.041 -25.789 1.00 0.00 H -ATOM 1798 CB ASP 117 -4.081 8.313 -24.042 1.00 0.00 C -ATOM 1799 HB2 ASP 117 -4.621 7.612 -23.405 1.00 0.00 H -ATOM 1800 HB3 ASP 117 -3.385 8.842 -23.391 1.00 0.00 H -ATOM 1801 CG ASP 117 -5.021 9.359 -24.531 1.00 0.00 C -ATOM 1802 OD1 ASP 117 -5.027 10.548 -24.048 1.00 0.00 O -ATOM 1803 OD2 ASP 117 -5.981 8.941 -25.280 1.00 0.00 O -ATOM 1804 C ASP 117 -2.569 8.490 -26.257 1.00 0.00 C -ATOM 1805 O ASP 117 -3.179 8.663 -27.301 1.00 0.00 O -ATOM 1806 N ILE 118 -1.425 9.108 -25.985 1.00 0.00 N -ATOM 1807 H ILE 118 -1.053 9.001 -25.052 1.00 0.00 H -ATOM 1808 CA ILE 118 -0.820 10.059 -26.996 1.00 0.00 C -ATOM 1809 HA ILE 118 -1.670 10.640 -27.352 1.00 0.00 H -ATOM 1810 CB ILE 118 0.111 11.112 -26.356 1.00 0.00 C -ATOM 1811 HB ILE 118 1.039 10.597 -26.112 1.00 0.00 H -ATOM 1812 CG2 ILE 118 0.525 12.274 -27.235 1.00 0.00 C -ATOM 1813 HG21 ILE 118 1.212 12.935 -26.707 1.00 0.00 H -ATOM 1814 HG22 ILE 118 1.098 11.994 -28.120 1.00 0.00 H -ATOM 1815 HG23 ILE 118 -0.349 12.769 -27.658 1.00 0.00 H -ATOM 1816 CG1 ILE 118 -0.422 11.599 -25.006 1.00 0.00 C -ATOM 1817 HG12 ILE 118 -0.587 10.688 -24.432 1.00 0.00 H -ATOM 1818 HG13 ILE 118 0.315 12.253 -24.540 1.00 0.00 H -ATOM 1819 CD1 ILE 118 -1.768 12.335 -25.079 1.00 0.00 C -ATOM 1820 HD11 ILE 118 -2.542 11.668 -25.461 1.00 0.00 H -ATOM 1821 HD12 ILE 118 -2.066 12.552 -24.054 1.00 0.00 H -ATOM 1822 HD13 ILE 118 -1.797 13.303 -25.579 1.00 0.00 H -ATOM 1823 C ILE 118 -0.090 9.388 -28.148 1.00 0.00 C -ATOM 1824 O ILE 118 0.028 9.830 -29.318 1.00 0.00 O -ATOM 1825 N SER 119 0.536 8.234 -27.886 1.00 0.00 N -ATOM 1826 H SER 119 0.468 7.982 -26.910 1.00 0.00 H -ATOM 1827 CA SER 119 1.611 7.658 -28.712 1.00 0.00 C -ATOM 1828 HA SER 119 2.116 8.492 -29.200 1.00 0.00 H -ATOM 1829 CB SER 119 2.708 6.916 -27.886 1.00 0.00 C -ATOM 1830 HB2 SER 119 2.330 6.040 -27.360 1.00 0.00 H -ATOM 1831 HB3 SER 119 3.471 6.554 -28.575 1.00 0.00 H -ATOM 1832 OG SER 119 3.248 7.832 -27.002 1.00 0.00 O -ATOM 1833 HG SER 119 2.950 7.627 -26.113 1.00 0.00 H -ATOM 1834 C SER 119 1.082 6.642 -29.743 1.00 0.00 C -ATOM 1835 O SER 119 1.727 6.403 -30.761 1.00 0.00 O -ATOM 1836 N ALA 120 0.036 5.889 -29.417 1.00 0.00 N -ATOM 1837 H ALA 120 -0.411 5.978 -28.515 1.00 0.00 H -ATOM 1838 CA ALA 120 -0.383 4.746 -30.198 1.00 0.00 C -ATOM 1839 HA ALA 120 -0.212 4.903 -31.263 1.00 0.00 H -ATOM 1840 CB ALA 120 0.358 3.475 -29.770 1.00 0.00 C -ATOM 1841 HB1 ALA 120 0.246 3.301 -28.700 1.00 0.00 H -ATOM 1842 HB2 ALA 120 -0.101 2.576 -30.182 1.00 0.00 H -ATOM 1843 HB3 ALA 120 1.429 3.465 -29.972 1.00 0.00 H -ATOM 1844 C ALA 120 -1.911 4.587 -30.237 1.00 0.00 C -ATOM 1845 O ALA 120 -2.463 4.347 -31.315 1.00 0.00 O -ATOM 1846 N TYR 121 -2.709 4.731 -29.233 1.00 0.00 N -ATOM 1847 H TYR 121 -2.271 4.718 -28.323 1.00 0.00 H -ATOM 1848 CA TYR 121 -4.204 4.922 -29.387 1.00 0.00 C -ATOM 1849 HA TYR 121 -4.584 4.096 -29.988 1.00 0.00 H -ATOM 1850 CB TYR 121 -4.853 4.892 -28.013 1.00 0.00 C -ATOM 1851 HB2 TYR 121 -4.586 3.945 -27.545 1.00 0.00 H -ATOM 1852 HB3 TYR 121 -4.438 5.674 -27.377 1.00 0.00 H -ATOM 1853 CG TYR 121 -6.374 4.895 -27.911 1.00 0.00 C -ATOM 1854 CD1 TYR 121 -7.217 5.966 -27.436 1.00 0.00 C -ATOM 1855 HD1 TYR 121 -6.858 6.983 -27.486 1.00 0.00 H -ATOM 1856 CE1 TYR 121 -8.613 5.755 -27.316 1.00 0.00 C -ATOM 1857 HE1 TYR 121 -9.189 6.562 -26.888 1.00 0.00 H -ATOM 1858 CZ TYR 121 -9.151 4.550 -27.575 1.00 0.00 C -ATOM 1859 OH TYR 121 -10.483 4.273 -27.613 1.00 0.00 O -ATOM 1860 HH TYR 121 -11.011 5.041 -27.383 1.00 0.00 H -ATOM 1861 CE2 TYR 121 -8.391 3.486 -28.100 1.00 0.00 C -ATOM 1862 HE2 TYR 121 -8.892 2.563 -28.353 1.00 0.00 H -ATOM 1863 CD2 TYR 121 -6.993 3.649 -28.115 1.00 0.00 C -ATOM 1864 HD2 TYR 121 -6.302 2.858 -28.369 1.00 0.00 H -ATOM 1865 C TYR 121 -4.588 6.155 -30.216 1.00 0.00 C -ATOM 1866 O TYR 121 -5.592 6.066 -30.942 1.00 0.00 O -ATOM 1867 N SER 122 -3.795 7.251 -30.230 1.00 0.00 N -ATOM 1868 H SER 122 -3.051 7.199 -29.549 1.00 0.00 H -ATOM 1869 CA SER 122 -3.815 8.395 -31.051 1.00 0.00 C -ATOM 1870 HA SER 122 -4.735 8.937 -30.834 1.00 0.00 H -ATOM 1871 CB SER 122 -2.637 9.323 -30.707 1.00 0.00 C -ATOM 1872 HB2 SER 122 -2.961 10.284 -31.108 1.00 0.00 H -ATOM 1873 HB3 SER 122 -2.480 9.321 -29.628 1.00 0.00 H -ATOM 1874 OG SER 122 -1.421 8.917 -31.272 1.00 0.00 O -ATOM 1875 HG SER 122 -0.785 9.300 -30.664 1.00 0.00 H -ATOM 1876 C SER 122 -3.802 8.111 -32.520 1.00 0.00 C -ATOM 1877 O SER 122 -4.274 8.920 -33.325 1.00 0.00 O -ATOM 1878 N PHE 123 -3.205 6.952 -32.868 1.00 0.00 N -ATOM 1879 H PHE 123 -2.881 6.339 -32.133 1.00 0.00 H -ATOM 1880 CA PHE 123 -3.143 6.555 -34.265 1.00 0.00 C -ATOM 1881 HA PHE 123 -2.911 7.440 -34.857 1.00 0.00 H -ATOM 1882 CB PHE 123 -1.952 5.658 -34.521 1.00 0.00 C -ATOM 1883 HB2 PHE 123 -1.061 6.194 -34.193 1.00 0.00 H -ATOM 1884 HB3 PHE 123 -2.060 4.717 -33.982 1.00 0.00 H -ATOM 1885 CG PHE 123 -1.634 5.455 -35.979 1.00 0.00 C -ATOM 1886 CD1 PHE 123 -1.483 6.547 -36.920 1.00 0.00 C -ATOM 1887 HD1 PHE 123 -1.574 7.578 -36.611 1.00 0.00 H -ATOM 1888 CE1 PHE 123 -1.285 6.232 -38.251 1.00 0.00 C -ATOM 1889 HE1 PHE 123 -1.075 6.956 -39.025 1.00 0.00 H -ATOM 1890 CZ PHE 123 -1.023 4.923 -38.713 1.00 0.00 C -ATOM 1891 HZ PHE 123 -0.725 4.640 -39.712 1.00 0.00 H -ATOM 1892 CE2 PHE 123 -1.116 3.846 -37.792 1.00 0.00 C -ATOM 1893 HE2 PHE 123 -0.930 2.856 -38.183 1.00 0.00 H -ATOM 1894 CD2 PHE 123 -1.517 4.113 -36.468 1.00 0.00 C -ATOM 1895 HD2 PHE 123 -1.508 3.289 -35.770 1.00 0.00 H -ATOM 1896 C PHE 123 -4.468 6.060 -34.854 1.00 0.00 C -ATOM 1897 O PHE 123 -4.856 6.562 -35.911 1.00 0.00 O -ATOM 1898 N ALA 124 -5.184 5.228 -34.068 1.00 0.00 N -ATOM 1899 H ALA 124 -4.764 4.866 -33.224 1.00 0.00 H -ATOM 1900 CA ALA 124 -6.584 4.920 -34.351 1.00 0.00 C -ATOM 1901 HA ALA 124 -6.720 4.368 -35.280 1.00 0.00 H -ATOM 1902 CB ALA 124 -7.094 3.977 -33.249 1.00 0.00 C -ATOM 1903 HB1 ALA 124 -6.391 3.177 -33.018 1.00 0.00 H -ATOM 1904 HB2 ALA 124 -7.168 4.593 -32.353 1.00 0.00 H -ATOM 1905 HB3 ALA 124 -8.055 3.521 -33.490 1.00 0.00 H -ATOM 1906 C ALA 124 -7.434 6.124 -34.419 1.00 0.00 C -ATOM 1907 O ALA 124 -8.315 6.150 -35.287 1.00 0.00 O -ATOM 1908 N ALA 125 -7.256 7.103 -33.529 1.00 0.00 N -ATOM 1909 H ALA 125 -6.553 6.919 -32.827 1.00 0.00 H -ATOM 1910 CA ALA 125 -8.030 8.371 -33.465 1.00 0.00 C -ATOM 1911 HA ALA 125 -9.084 8.225 -33.224 1.00 0.00 H -ATOM 1912 CB ALA 125 -7.601 9.197 -32.226 1.00 0.00 C -ATOM 1913 HB1 ALA 125 -7.759 8.722 -31.257 1.00 0.00 H -ATOM 1914 HB2 ALA 125 -6.570 9.517 -32.374 1.00 0.00 H -ATOM 1915 HB3 ALA 125 -8.273 10.054 -32.192 1.00 0.00 H -ATOM 1916 C ALA 125 -7.780 9.212 -34.788 1.00 0.00 C -ATOM 1917 O ALA 125 -8.658 10.002 -35.143 1.00 0.00 O -ATOM 1918 N LEU 126 -6.601 8.988 -35.422 1.00 0.00 N -ATOM 1919 H LEU 126 -5.851 8.456 -35.003 1.00 0.00 H -ATOM 1920 CA LEU 126 -6.235 9.787 -36.614 1.00 0.00 C -ATOM 1921 HA LEU 126 -6.751 10.746 -36.558 1.00 0.00 H -ATOM 1922 CB LEU 126 -4.710 10.007 -36.630 1.00 0.00 C -ATOM 1923 HB2 LEU 126 -4.356 10.418 -35.684 1.00 0.00 H -ATOM 1924 HB3 LEU 126 -4.225 9.032 -36.676 1.00 0.00 H -ATOM 1925 CG LEU 126 -4.325 10.957 -37.821 1.00 0.00 C -ATOM 1926 HG LEU 126 -4.802 10.608 -38.737 1.00 0.00 H -ATOM 1927 CD1 LEU 126 -4.827 12.365 -37.592 1.00 0.00 C -ATOM 1928 HD11 LEU 126 -4.172 13.046 -38.136 1.00 0.00 H -ATOM 1929 HD12 LEU 126 -5.852 12.481 -37.945 1.00 0.00 H -ATOM 1930 HD13 LEU 126 -4.893 12.564 -36.523 1.00 0.00 H -ATOM 1931 CD2 LEU 126 -2.842 10.871 -38.099 1.00 0.00 C -ATOM 1932 HD21 LEU 126 -2.493 11.554 -38.874 1.00 0.00 H -ATOM 1933 HD22 LEU 126 -2.303 11.006 -37.162 1.00 0.00 H -ATOM 1934 HD23 LEU 126 -2.661 9.878 -38.510 1.00 0.00 H -ATOM 1935 C LEU 126 -6.803 9.092 -37.838 1.00 0.00 C -ATOM 1936 O LEU 126 -7.304 9.719 -38.728 1.00 0.00 O -ATOM 1937 N ALA 127 -6.832 7.744 -37.720 1.00 0.00 N -ATOM 1938 H ALA 127 -6.439 7.305 -36.900 1.00 0.00 H -ATOM 1939 CA ALA 127 -7.446 6.864 -38.762 1.00 0.00 C -ATOM 1940 HA ALA 127 -6.925 7.190 -39.662 1.00 0.00 H -ATOM 1941 CB ALA 127 -7.222 5.377 -38.357 1.00 0.00 C -ATOM 1942 HB1 ALA 127 -7.824 4.806 -39.064 1.00 0.00 H -ATOM 1943 HB2 ALA 127 -6.163 5.148 -38.474 1.00 0.00 H -ATOM 1944 HB3 ALA 127 -7.499 5.289 -37.306 1.00 0.00 H -ATOM 1945 C ALA 127 -9.023 7.098 -38.745 1.00 0.00 C -ATOM 1946 O ALA 127 -9.611 7.294 -39.832 1.00 0.00 O -ATOM 1947 N LYS 128 -9.630 7.270 -37.550 1.00 0.00 N -ATOM 1948 H LYS 128 -9.041 7.014 -36.771 1.00 0.00 H -ATOM 1949 CA LYS 128 -11.110 7.499 -37.321 1.00 0.00 C -ATOM 1950 HA LYS 128 -11.619 6.667 -37.808 1.00 0.00 H -ATOM 1951 CB LYS 128 -11.536 7.459 -35.892 1.00 0.00 C -ATOM 1952 HB2 LYS 128 -11.219 6.469 -35.566 1.00 0.00 H -ATOM 1953 HB3 LYS 128 -10.962 8.133 -35.256 1.00 0.00 H -ATOM 1954 CG LYS 128 -13.013 7.502 -35.457 1.00 0.00 C -ATOM 1955 HG2 LYS 128 -13.522 7.355 -36.410 1.00 0.00 H -ATOM 1956 HG3 LYS 128 -13.247 6.637 -34.837 1.00 0.00 H -ATOM 1957 CD LYS 128 -13.374 8.754 -34.707 1.00 0.00 C -ATOM 1958 HD2 LYS 128 -14.428 8.715 -34.431 1.00 0.00 H -ATOM 1959 HD3 LYS 128 -12.795 8.689 -33.786 1.00 0.00 H -ATOM 1960 CE LYS 128 -13.141 10.066 -35.563 1.00 0.00 C -ATOM 1961 HE2 LYS 128 -12.078 10.169 -35.780 1.00 0.00 H -ATOM 1962 HE3 LYS 128 -13.625 9.865 -36.519 1.00 0.00 H -ATOM 1963 NZ LYS 128 -13.713 11.302 -34.958 1.00 0.00 N -ATOM 1964 HZ1 LYS 128 -13.185 11.582 -34.144 1.00 0.00 H -ATOM 1965 HZ2 LYS 128 -13.605 12.114 -35.548 1.00 0.00 H -ATOM 1966 HZ3 LYS 128 -14.692 11.175 -34.744 1.00 0.00 H -ATOM 1967 C LYS 128 -11.651 8.723 -38.173 1.00 0.00 C -ATOM 1968 O LYS 128 -12.802 8.749 -38.630 1.00 0.00 O -ATOM 1969 N GLU 129 -10.883 9.849 -38.304 1.00 0.00 N -ATOM 1970 H GLU 129 -9.994 9.862 -37.824 1.00 0.00 H -ATOM 1971 CA GLU 129 -11.205 10.966 -39.204 1.00 0.00 C -ATOM 1972 HA GLU 129 -12.270 11.170 -39.311 1.00 0.00 H -ATOM 1973 CB GLU 129 -10.575 12.269 -38.525 1.00 0.00 C -ATOM 1974 HB2 GLU 129 -9.564 12.108 -38.152 1.00 0.00 H -ATOM 1975 HB3 GLU 129 -10.427 12.990 -39.329 1.00 0.00 H -ATOM 1976 CG GLU 129 -11.400 12.877 -37.304 1.00 0.00 C -ATOM 1977 HG2 GLU 129 -11.572 12.139 -36.520 1.00 0.00 H -ATOM 1978 HG3 GLU 129 -10.897 13.729 -36.846 1.00 0.00 H -ATOM 1979 CD GLU 129 -12.902 13.183 -37.739 1.00 0.00 C -ATOM 1980 OE1 GLU 129 -13.759 13.210 -36.866 1.00 0.00 O -ATOM 1981 OE2 GLU 129 -13.241 13.515 -38.854 1.00 0.00 O -ATOM 1982 C GLU 129 -10.518 10.899 -40.623 1.00 0.00 C -ATOM 1983 O GLU 129 -11.191 11.243 -41.549 1.00 0.00 O -ATOM 1984 N GLY 130 -9.355 10.331 -40.774 1.00 0.00 N -ATOM 1985 H GLY 130 -8.885 10.120 -39.905 1.00 0.00 H -ATOM 1986 CA GLY 130 -8.657 10.329 -42.019 1.00 0.00 C -ATOM 1987 HA2 GLY 130 -8.615 11.350 -42.398 1.00 0.00 H -ATOM 1988 HA3 GLY 130 -7.608 10.082 -41.860 1.00 0.00 H -ATOM 1989 C GLY 130 -9.159 9.289 -43.037 1.00 0.00 C -ATOM 1990 O GLY 130 -9.175 9.657 -44.224 1.00 0.00 O -ATOM 1991 N ARG 131 -9.797 8.236 -42.587 1.00 0.00 N -ATOM 1992 H ARG 131 -9.731 8.077 -41.592 1.00 0.00 H -ATOM 1993 CA ARG 131 -10.454 7.264 -43.501 1.00 0.00 C -ATOM 1994 HA ARG 131 -9.622 6.966 -44.140 1.00 0.00 H -ATOM 1995 CB ARG 131 -11.004 6.032 -42.720 1.00 0.00 C -ATOM 1996 HB2 ARG 131 -11.303 5.283 -43.453 1.00 0.00 H -ATOM 1997 HB3 ARG 131 -10.150 5.689 -42.135 1.00 0.00 H -ATOM 1998 CG ARG 131 -12.159 6.286 -41.762 1.00 0.00 C -ATOM 1999 HG2 ARG 131 -11.938 7.245 -41.294 1.00 0.00 H -ATOM 2000 HG3 ARG 131 -13.036 6.386 -42.403 1.00 0.00 H -ATOM 2001 CD ARG 131 -12.610 5.238 -40.685 1.00 0.00 C -ATOM 2002 HD2 ARG 131 -11.952 5.137 -39.822 1.00 0.00 H -ATOM 2003 HD3 ARG 131 -13.467 5.756 -40.255 1.00 0.00 H -ATOM 2004 NE ARG 131 -12.853 3.934 -41.318 1.00 0.00 N -ATOM 2005 HE ARG 131 -12.809 3.994 -42.326 1.00 0.00 H -ATOM 2006 CZ ARG 131 -13.161 2.719 -40.795 1.00 0.00 C -ATOM 2007 NH1 ARG 131 -13.154 1.774 -41.612 1.00 0.00 N -ATOM 2008 HH11 ARG 131 -13.054 2.042 -42.580 1.00 0.00 H -ATOM 2009 HH12 ARG 131 -13.258 0.817 -41.307 1.00 0.00 H -ATOM 2010 NH2 ARG 131 -13.259 2.346 -39.537 1.00 0.00 N -ATOM 2011 HH21 ARG 131 -13.202 3.072 -38.837 1.00 0.00 H -ATOM 2012 HH22 ARG 131 -13.328 1.369 -39.288 1.00 0.00 H -ATOM 2013 C ARG 131 -11.528 7.904 -44.349 1.00 0.00 C -ATOM 2014 O ARG 131 -11.742 7.537 -45.466 1.00 0.00 O -ATOM 2015 N SER 132 -12.265 8.913 -43.782 1.00 0.00 N -ATOM 2016 H SER 132 -11.965 9.155 -42.849 1.00 0.00 H -ATOM 2017 CA SER 132 -13.316 9.672 -44.490 1.00 0.00 C -ATOM 2018 HA SER 132 -13.924 9.001 -45.097 1.00 0.00 H -ATOM 2019 CB SER 132 -14.271 10.418 -43.495 1.00 0.00 C -ATOM 2020 HB2 SER 132 -13.743 11.293 -43.116 1.00 0.00 H -ATOM 2021 HB3 SER 132 -15.163 10.645 -44.078 1.00 0.00 H -ATOM 2022 OG SER 132 -14.507 9.561 -42.338 1.00 0.00 O -ATOM 2023 HG SER 132 -14.947 8.739 -42.566 1.00 0.00 H -ATOM 2024 C SER 132 -12.765 10.753 -45.461 1.00 0.00 C -ATOM 2025 O SER 132 -13.623 11.398 -46.112 1.00 0.00 O -ATOM 2026 N MET 133 -11.490 10.946 -45.696 1.00 0.00 N -ATOM 2027 H MET 133 -10.835 10.587 -45.016 1.00 0.00 H -ATOM 2028 CA MET 133 -11.003 11.775 -46.826 1.00 0.00 C -ATOM 2029 HA MET 133 -11.740 12.466 -47.235 1.00 0.00 H -ATOM 2030 CB MET 133 -9.937 12.806 -46.277 1.00 0.00 C -ATOM 2031 HB2 MET 133 -10.295 13.263 -45.354 1.00 0.00 H -ATOM 2032 HB3 MET 133 -8.955 12.409 -46.019 1.00 0.00 H -ATOM 2033 CG MET 133 -9.844 13.980 -47.300 1.00 0.00 C -ATOM 2034 HG2 MET 133 -9.596 13.604 -48.292 1.00 0.00 H -ATOM 2035 HG3 MET 133 -10.842 14.409 -47.215 1.00 0.00 H -ATOM 2036 SD MET 133 -8.598 15.175 -46.742 1.00 0.00 S -ATOM 2037 CE MET 133 -8.668 16.231 -48.193 1.00 0.00 C -ATOM 2038 HE1 MET 133 -9.726 16.480 -48.282 1.00 0.00 H -ATOM 2039 HE2 MET 133 -8.117 17.151 -48.005 1.00 0.00 H -ATOM 2040 HE3 MET 133 -8.362 15.610 -49.035 1.00 0.00 H -ATOM 2041 C MET 133 -10.252 10.952 -47.850 1.00 0.00 C -ATOM 2042 O MET 133 -9.958 11.391 -48.956 1.00 0.00 O -ATOM 2043 N MET 134 -9.898 9.723 -47.413 1.00 0.00 N -ATOM 2044 H MET 134 -10.260 9.345 -46.548 1.00 0.00 H -ATOM 2045 CA MET 134 -8.957 8.864 -48.232 1.00 0.00 C -ATOM 2046 HA MET 134 -8.455 9.557 -48.908 1.00 0.00 H -ATOM 2047 CB MET 134 -8.003 8.232 -47.210 1.00 0.00 C -ATOM 2048 HB2 MET 134 -8.610 7.786 -46.422 1.00 0.00 H -ATOM 2049 HB3 MET 134 -7.415 7.413 -47.623 1.00 0.00 H -ATOM 2050 CG MET 134 -6.950 9.163 -46.547 1.00 0.00 C -ATOM 2051 HG2 MET 134 -6.233 9.415 -47.328 1.00 0.00 H -ATOM 2052 HG3 MET 134 -7.382 10.068 -46.120 1.00 0.00 H -ATOM 2053 SD MET 134 -5.946 8.337 -45.253 1.00 0.00 S -ATOM 2054 CE MET 134 -4.982 7.142 -46.113 1.00 0.00 C -ATOM 2055 HE1 MET 134 -4.922 7.351 -47.182 1.00 0.00 H -ATOM 2056 HE2 MET 134 -4.009 7.038 -45.634 1.00 0.00 H -ATOM 2057 HE3 MET 134 -5.492 6.181 -46.049 1.00 0.00 H -ATOM 2058 C MET 134 -9.667 7.754 -49.082 1.00 0.00 C -ATOM 2059 O MET 134 -9.038 6.773 -49.510 1.00 0.00 O -ATOM 2060 N LYS 135 -10.996 7.812 -49.300 1.00 0.00 N -ATOM 2061 H LYS 135 -11.546 8.654 -49.202 1.00 0.00 H -ATOM 2062 CA LYS 135 -11.771 6.683 -49.719 1.00 0.00 C -ATOM 2063 HA LYS 135 -11.468 5.770 -49.207 1.00 0.00 H -ATOM 2064 CB LYS 135 -13.240 6.915 -49.398 1.00 0.00 C -ATOM 2065 HB2 LYS 135 -13.138 7.380 -48.417 1.00 0.00 H -ATOM 2066 HB3 LYS 135 -13.623 7.682 -50.071 1.00 0.00 H -ATOM 2067 CG LYS 135 -14.094 5.662 -49.299 1.00 0.00 C -ATOM 2068 HG2 LYS 135 -14.116 5.031 -50.188 1.00 0.00 H -ATOM 2069 HG3 LYS 135 -13.780 5.087 -48.428 1.00 0.00 H -ATOM 2070 CD LYS 135 -15.594 6.005 -49.039 1.00 0.00 C -ATOM 2071 HD2 LYS 135 -15.618 6.647 -48.159 1.00 0.00 H -ATOM 2072 HD3 LYS 135 -16.051 6.477 -49.909 1.00 0.00 H -ATOM 2073 CE LYS 135 -16.411 4.717 -48.751 1.00 0.00 C -ATOM 2074 HE2 LYS 135 -16.522 4.150 -49.675 1.00 0.00 H -ATOM 2075 HE3 LYS 135 -15.884 4.100 -48.023 1.00 0.00 H -ATOM 2076 NZ LYS 135 -17.745 5.041 -48.185 1.00 0.00 N -ATOM 2077 HZ1 LYS 135 -17.463 5.331 -47.259 1.00 0.00 H -ATOM 2078 HZ2 LYS 135 -18.230 5.759 -48.704 1.00 0.00 H -ATOM 2079 HZ3 LYS 135 -18.432 4.301 -48.192 1.00 0.00 H -ATOM 2080 C LYS 135 -11.723 6.304 -51.211 1.00 0.00 C -ATOM 2081 O LYS 135 -11.655 7.132 -52.107 1.00 0.00 O -ATOM 2082 N ASN 136 -11.638 4.952 -51.394 1.00 0.00 N -ATOM 2083 H ASN 136 -11.720 4.293 -50.633 1.00 0.00 H -ATOM 2084 CA ASN 136 -11.739 4.343 -52.754 1.00 0.00 C -ATOM 2085 HA ASN 136 -11.620 3.281 -52.540 1.00 0.00 H -ATOM 2086 CB ASN 136 -13.178 4.419 -53.261 1.00 0.00 C -ATOM 2087 HB2 ASN 136 -13.493 5.458 -53.160 1.00 0.00 H -ATOM 2088 HB3 ASN 136 -13.145 4.184 -54.325 1.00 0.00 H -ATOM 2089 CG ASN 136 -14.287 3.519 -52.739 1.00 0.00 C -ATOM 2090 OD1 ASN 136 -14.071 2.515 -52.048 1.00 0.00 O -ATOM 2091 ND2 ASN 136 -15.548 3.857 -52.968 1.00 0.00 N -ATOM 2092 HD21 ASN 136 -16.235 3.319 -52.460 1.00 0.00 H -ATOM 2093 HD22 ASN 136 -15.701 4.577 -53.659 1.00 0.00 H -ATOM 2094 C ASN 136 -10.510 4.817 -53.646 1.00 0.00 C -ATOM 2095 O ASN 136 -10.722 4.865 -54.855 1.00 0.00 O -ATOM 2096 N ARG 137 -9.367 5.185 -53.067 1.00 0.00 N -ATOM 2097 H ARG 137 -9.266 5.016 -52.077 1.00 0.00 H -ATOM 2098 CA ARG 137 -8.182 5.724 -53.814 1.00 0.00 C -ATOM 2099 HA ARG 137 -8.392 5.309 -54.800 1.00 0.00 H -ATOM 2100 CB ARG 137 -8.192 7.213 -53.979 1.00 0.00 C -ATOM 2101 HB2 ARG 137 -7.309 7.425 -54.581 1.00 0.00 H -ATOM 2102 HB3 ARG 137 -9.130 7.487 -54.462 1.00 0.00 H -ATOM 2103 CG ARG 137 -8.247 8.041 -52.730 1.00 0.00 C -ATOM 2104 HG2 ARG 137 -9.032 7.662 -52.076 1.00 0.00 H -ATOM 2105 HG3 ARG 137 -7.261 7.891 -52.289 1.00 0.00 H -ATOM 2106 CD ARG 137 -8.279 9.530 -52.962 1.00 0.00 C -ATOM 2107 HD2 ARG 137 -7.994 10.035 -52.040 1.00 0.00 H -ATOM 2108 HD3 ARG 137 -7.582 9.751 -53.771 1.00 0.00 H -ATOM 2109 NE ARG 137 -9.640 9.903 -53.474 1.00 0.00 N -ATOM 2110 HE ARG 137 -10.431 9.393 -53.108 1.00 0.00 H -ATOM 2111 CZ ARG 137 -9.968 10.875 -54.290 1.00 0.00 C -ATOM 2112 NH1 ARG 137 -9.130 11.620 -54.894 1.00 0.00 N -ATOM 2113 HH11 ARG 137 -8.141 11.416 -54.904 1.00 0.00 H -ATOM 2114 HH12 ARG 137 -9.453 12.405 -55.442 1.00 0.00 H -ATOM 2115 NH2 ARG 137 -11.186 11.252 -54.442 1.00 0.00 N -ATOM 2116 HH21 ARG 137 -11.956 10.653 -54.183 1.00 0.00 H -ATOM 2117 HH22 ARG 137 -11.408 11.865 -55.213 1.00 0.00 H -ATOM 2118 C ARG 137 -6.888 5.026 -53.485 1.00 0.00 C -ATOM 2119 O ARG 137 -5.858 5.674 -53.531 1.00 0.00 O -ATOM 2120 N ASN 138 -6.992 3.746 -53.076 1.00 0.00 N -ATOM 2121 H ASN 138 -7.889 3.283 -53.039 1.00 0.00 H -ATOM 2122 CA ASN 138 -5.945 2.741 -52.713 1.00 0.00 C -ATOM 2123 HA ASN 138 -6.312 1.907 -52.115 1.00 0.00 H -ATOM 2124 CB ASN 138 -5.232 2.133 -53.876 1.00 0.00 C -ATOM 2125 HB2 ASN 138 -5.995 2.121 -54.654 1.00 0.00 H -ATOM 2126 HB3 ASN 138 -4.434 2.770 -54.258 1.00 0.00 H -ATOM 2127 CG ASN 138 -4.652 0.743 -53.677 1.00 0.00 C -ATOM 2128 OD1 ASN 138 -4.868 0.082 -52.680 1.00 0.00 O -ATOM 2129 ND2 ASN 138 -3.902 0.288 -54.584 1.00 0.00 N -ATOM 2130 HD21 ASN 138 -3.670 -0.695 -54.551 1.00 0.00 H -ATOM 2131 HD22 ASN 138 -3.619 0.851 -55.374 1.00 0.00 H -ATOM 2132 C ASN 138 -4.922 3.262 -51.638 1.00 0.00 C -ATOM 2133 O ASN 138 -3.732 2.938 -51.708 1.00 0.00 O -ATOM 2134 N ALA 139 -5.360 4.216 -50.856 1.00 0.00 N -ATOM 2135 H ALA 139 -6.354 4.377 -50.943 1.00 0.00 H -ATOM 2136 CA ALA 139 -4.439 5.179 -50.239 1.00 0.00 C -ATOM 2137 HA ALA 139 -3.703 5.526 -50.963 1.00 0.00 H -ATOM 2138 CB ALA 139 -5.325 6.427 -49.859 1.00 0.00 C -ATOM 2139 HB1 ALA 139 -6.304 6.212 -49.430 1.00 0.00 H -ATOM 2140 HB2 ALA 139 -4.777 7.034 -49.138 1.00 0.00 H -ATOM 2141 HB3 ALA 139 -5.546 7.015 -50.749 1.00 0.00 H -ATOM 2142 C ALA 139 -3.705 4.561 -48.963 1.00 0.00 C -ATOM 2143 O ALA 139 -4.016 3.450 -48.591 1.00 0.00 O -ATOM 2144 N SER 140 -2.685 5.231 -48.409 1.00 0.00 N -ATOM 2145 H SER 140 -2.446 6.152 -48.748 1.00 0.00 H -ATOM 2146 CA SER 140 -1.847 4.642 -47.403 1.00 0.00 C -ATOM 2147 HA SER 140 -2.214 3.675 -47.060 1.00 0.00 H -ATOM 2148 CB SER 140 -0.461 4.320 -48.120 1.00 0.00 C -ATOM 2149 HB2 SER 140 -0.728 3.934 -49.104 1.00 0.00 H -ATOM 2150 HB3 SER 140 0.167 5.207 -48.202 1.00 0.00 H -ATOM 2151 OG SER 140 0.334 3.348 -47.404 1.00 0.00 O -ATOM 2152 HG SER 140 1.251 3.435 -47.675 1.00 0.00 H -ATOM 2153 C SER 140 -1.690 5.476 -46.149 1.00 0.00 C -ATOM 2154 O SER 140 -1.526 6.709 -46.246 1.00 0.00 O -ATOM 2155 N MET 141 -1.695 4.837 -44.981 1.00 0.00 N -ATOM 2156 H MET 141 -1.701 3.827 -45.012 1.00 0.00 H -ATOM 2157 CA MET 141 -1.423 5.459 -43.667 1.00 0.00 C -ATOM 2158 HA MET 141 -1.297 6.531 -43.817 1.00 0.00 H -ATOM 2159 CB MET 141 -2.551 5.158 -42.722 1.00 0.00 C -ATOM 2160 HB2 MET 141 -2.767 4.107 -42.912 1.00 0.00 H -ATOM 2161 HB3 MET 141 -2.354 5.247 -41.654 1.00 0.00 H -ATOM 2162 CG MET 141 -3.800 6.034 -43.051 1.00 0.00 C -ATOM 2163 HG2 MET 141 -3.594 6.974 -43.562 1.00 0.00 H -ATOM 2164 HG3 MET 141 -4.454 5.575 -43.793 1.00 0.00 H -ATOM 2165 SD MET 141 -4.925 6.424 -41.606 1.00 0.00 S -ATOM 2166 CE MET 141 -3.768 7.278 -40.450 1.00 0.00 C -ATOM 2167 HE1 MET 141 -2.935 6.604 -40.247 1.00 0.00 H -ATOM 2168 HE2 MET 141 -3.483 8.243 -40.869 1.00 0.00 H -ATOM 2169 HE3 MET 141 -4.425 7.345 -39.583 1.00 0.00 H -ATOM 2170 C MET 141 -0.092 5.008 -43.020 1.00 0.00 C -ATOM 2171 O MET 141 0.219 3.808 -43.258 1.00 0.00 O -ATOM 2172 N VAL 142 0.698 5.830 -42.364 1.00 0.00 N -ATOM 2173 H VAL 142 0.443 6.801 -42.476 1.00 0.00 H -ATOM 2174 CA VAL 142 1.981 5.482 -41.683 1.00 0.00 C -ATOM 2175 HA VAL 142 1.974 4.400 -41.556 1.00 0.00 H -ATOM 2176 CB VAL 142 3.212 5.572 -42.629 1.00 0.00 C -ATOM 2177 HB VAL 142 3.292 6.625 -42.899 1.00 0.00 H -ATOM 2178 CG1 VAL 142 4.477 5.129 -41.939 1.00 0.00 C -ATOM 2179 HG11 VAL 142 4.502 4.086 -41.622 1.00 0.00 H -ATOM 2180 HG12 VAL 142 5.328 5.143 -42.621 1.00 0.00 H -ATOM 2181 HG13 VAL 142 4.709 5.739 -41.066 1.00 0.00 H -ATOM 2182 CG2 VAL 142 3.015 4.810 -43.898 1.00 0.00 C -ATOM 2183 HG21 VAL 142 2.308 5.223 -44.617 1.00 0.00 H -ATOM 2184 HG22 VAL 142 3.963 4.889 -44.430 1.00 0.00 H -ATOM 2185 HG23 VAL 142 2.794 3.777 -43.631 1.00 0.00 H -ATOM 2186 C VAL 142 2.049 6.173 -40.326 1.00 0.00 C -ATOM 2187 O VAL 142 1.574 7.311 -40.181 1.00 0.00 O -ATOM 2188 N ALA 143 2.766 5.547 -39.409 1.00 0.00 N -ATOM 2189 H ALA 143 3.128 4.620 -39.581 1.00 0.00 H -ATOM 2190 CA ALA 143 3.088 5.995 -38.075 1.00 0.00 C -ATOM 2191 HA ALA 143 2.925 7.072 -38.062 1.00 0.00 H -ATOM 2192 CB ALA 143 2.159 5.359 -37.094 1.00 0.00 C -ATOM 2193 HB1 ALA 143 2.575 5.252 -36.092 1.00 0.00 H -ATOM 2194 HB2 ALA 143 1.194 5.845 -36.948 1.00 0.00 H -ATOM 2195 HB3 ALA 143 2.027 4.315 -37.378 1.00 0.00 H -ATOM 2196 C ALA 143 4.627 5.815 -37.851 1.00 0.00 C -ATOM 2197 O ALA 143 5.096 4.821 -38.313 1.00 0.00 O -ATOM 2198 N LEU 144 5.337 6.737 -37.201 1.00 0.00 N -ATOM 2199 H LEU 144 4.883 7.639 -37.204 1.00 0.00 H -ATOM 2200 CA LEU 144 6.765 6.523 -36.802 1.00 0.00 C -ATOM 2201 HA LEU 144 7.177 5.751 -37.452 1.00 0.00 H -ATOM 2202 CB LEU 144 7.581 7.822 -36.793 1.00 0.00 C -ATOM 2203 HB2 LEU 144 6.969 8.674 -36.496 1.00 0.00 H -ATOM 2204 HB3 LEU 144 8.393 7.647 -36.087 1.00 0.00 H -ATOM 2205 CG LEU 144 8.424 8.117 -38.094 1.00 0.00 C -ATOM 2206 HG LEU 144 8.913 9.090 -38.069 1.00 0.00 H -ATOM 2207 CD1 LEU 144 9.654 7.143 -38.214 1.00 0.00 C -ATOM 2208 HD11 LEU 144 9.388 6.093 -38.340 1.00 0.00 H -ATOM 2209 HD12 LEU 144 10.204 7.397 -39.120 1.00 0.00 H -ATOM 2210 HD13 LEU 144 10.370 7.260 -37.400 1.00 0.00 H -ATOM 2211 CD2 LEU 144 7.462 8.054 -39.276 1.00 0.00 C -ATOM 2212 HD21 LEU 144 6.618 8.699 -39.031 1.00 0.00 H -ATOM 2213 HD22 LEU 144 7.972 8.228 -40.224 1.00 0.00 H -ATOM 2214 HD23 LEU 144 7.055 7.053 -39.415 1.00 0.00 H -ATOM 2215 C LEU 144 6.827 5.856 -35.366 1.00 0.00 C -ATOM 2216 O LEU 144 5.966 6.001 -34.513 1.00 0.00 O -ATOM 2217 N THR 145 7.896 5.018 -35.125 1.00 0.00 N -ATOM 2218 H THR 145 8.533 4.751 -35.862 1.00 0.00 H -ATOM 2219 CA THR 145 8.266 4.397 -33.814 1.00 0.00 C -ATOM 2220 HA THR 145 8.055 5.008 -32.937 1.00 0.00 H -ATOM 2221 CB THR 145 7.479 3.091 -33.618 1.00 0.00 C -ATOM 2222 HB THR 145 6.500 3.300 -34.049 1.00 0.00 H -ATOM 2223 CG2 THR 145 8.073 1.963 -34.421 1.00 0.00 C -ATOM 2224 HG21 THR 145 7.494 1.042 -34.486 1.00 0.00 H -ATOM 2225 HG22 THR 145 8.014 2.352 -35.438 1.00 0.00 H -ATOM 2226 HG23 THR 145 9.108 1.732 -34.166 1.00 0.00 H -ATOM 2227 OG1 THR 145 7.491 2.703 -32.280 1.00 0.00 O -ATOM 2228 HG1 THR 145 6.899 1.947 -32.257 1.00 0.00 H -ATOM 2229 C THR 145 9.798 4.159 -33.675 1.00 0.00 C -ATOM 2230 O THR 145 10.559 4.644 -34.523 1.00 0.00 O -ATOM 2231 N TYR 146 10.205 3.576 -32.579 1.00 0.00 N -ATOM 2232 H TYR 146 9.554 3.054 -32.010 1.00 0.00 H -ATOM 2233 CA TYR 146 11.674 3.376 -32.376 1.00 0.00 C -ATOM 2234 HA TYR 146 12.267 3.534 -33.277 1.00 0.00 H -ATOM 2235 CB TYR 146 12.173 4.430 -31.444 1.00 0.00 C -ATOM 2236 HB2 TYR 146 11.998 5.407 -31.896 1.00 0.00 H -ATOM 2237 HB3 TYR 146 11.648 4.469 -30.490 1.00 0.00 H -ATOM 2238 CG TYR 146 13.626 4.368 -31.133 1.00 0.00 C -ATOM 2239 CD1 TYR 146 14.558 5.140 -31.851 1.00 0.00 C -ATOM 2240 HD1 TYR 146 14.227 5.649 -32.744 1.00 0.00 H -ATOM 2241 CE1 TYR 146 15.939 5.081 -31.441 1.00 0.00 C -ATOM 2242 HE1 TYR 146 16.631 5.647 -32.047 1.00 0.00 H -ATOM 2243 CZ TYR 146 16.320 4.351 -30.291 1.00 0.00 C -ATOM 2244 OH TYR 146 17.615 4.417 -29.900 1.00 0.00 O -ATOM 2245 HH TYR 146 17.837 3.889 -29.129 1.00 0.00 H -ATOM 2246 CE2 TYR 146 15.367 3.650 -29.505 1.00 0.00 C -ATOM 2247 HE2 TYR 146 15.677 3.179 -28.584 1.00 0.00 H -ATOM 2248 CD2 TYR 146 14.001 3.634 -29.970 1.00 0.00 C -ATOM 2249 HD2 TYR 146 13.285 3.159 -29.316 1.00 0.00 H -ATOM 2250 C TYR 146 11.991 1.980 -31.880 1.00 0.00 C -ATOM 2251 O TYR 146 11.233 1.478 -31.023 1.00 0.00 O -ATOM 2252 N ILE 147 13.118 1.417 -32.286 1.00 0.00 N -ATOM 2253 H ILE 147 13.635 1.965 -32.958 1.00 0.00 H -ATOM 2254 CA ILE 147 13.495 0.084 -31.917 1.00 0.00 C -ATOM 2255 HA ILE 147 12.638 -0.519 -32.218 1.00 0.00 H -ATOM 2256 CB ILE 147 14.752 -0.287 -32.743 1.00 0.00 C -ATOM 2257 HB ILE 147 14.517 0.052 -33.752 1.00 0.00 H -ATOM 2258 CG2 ILE 147 15.940 0.634 -32.332 1.00 0.00 C -ATOM 2259 HG21 ILE 147 16.239 0.462 -31.298 1.00 0.00 H -ATOM 2260 HG22 ILE 147 16.708 0.288 -33.024 1.00 0.00 H -ATOM 2261 HG23 ILE 147 15.776 1.704 -32.460 1.00 0.00 H -ATOM 2262 CG1 ILE 147 15.197 -1.778 -32.684 1.00 0.00 C -ATOM 2263 HG12 ILE 147 15.988 -1.852 -33.430 1.00 0.00 H -ATOM 2264 HG13 ILE 147 15.650 -2.014 -31.721 1.00 0.00 H -ATOM 2265 CD1 ILE 147 14.113 -2.838 -32.966 1.00 0.00 C -ATOM 2266 HD11 ILE 147 14.481 -3.861 -32.884 1.00 0.00 H -ATOM 2267 HD12 ILE 147 13.221 -2.662 -32.365 1.00 0.00 H -ATOM 2268 HD13 ILE 147 13.710 -2.839 -33.979 1.00 0.00 H -ATOM 2269 C ILE 147 13.741 -0.331 -30.398 1.00 0.00 C -ATOM 2270 O ILE 147 13.630 -1.521 -30.032 1.00 0.00 O -ATOM 2271 N GLY 148 13.794 0.667 -29.478 1.00 0.00 N -ATOM 2272 H GLY 148 13.795 1.578 -29.914 1.00 0.00 H -ATOM 2273 CA GLY 148 13.785 0.466 -28.045 1.00 0.00 C -ATOM 2274 HA2 GLY 148 14.424 -0.318 -27.639 1.00 0.00 H -ATOM 2275 HA3 GLY 148 13.980 1.350 -27.438 1.00 0.00 H -ATOM 2276 C GLY 148 12.374 0.089 -27.594 1.00 0.00 C -ATOM 2277 O GLY 148 12.233 -0.350 -26.438 1.00 0.00 O -ATOM 2278 N ALA 149 11.381 -0.021 -28.505 1.00 0.00 N -ATOM 2279 H ALA 149 11.472 0.396 -29.420 1.00 0.00 H -ATOM 2280 CA ALA 149 10.090 -0.708 -28.195 1.00 0.00 C -ATOM 2281 HA ALA 149 9.514 -0.303 -27.363 1.00 0.00 H -ATOM 2282 CB ALA 149 9.256 -0.592 -29.426 1.00 0.00 C -ATOM 2283 HB1 ALA 149 8.330 -1.145 -29.267 1.00 0.00 H -ATOM 2284 HB2 ALA 149 8.903 0.438 -29.474 1.00 0.00 H -ATOM 2285 HB3 ALA 149 9.738 -0.958 -30.332 1.00 0.00 H -ATOM 2286 C ALA 149 10.244 -2.151 -27.936 1.00 0.00 C -ATOM 2287 O ALA 149 9.398 -2.718 -27.255 1.00 0.00 O -ATOM 2288 N GLU 150 11.219 -2.837 -28.592 1.00 0.00 N -ATOM 2289 H GLU 150 11.766 -2.177 -29.127 1.00 0.00 H -ATOM 2290 CA GLU 150 11.477 -4.265 -28.405 1.00 0.00 C -ATOM 2291 HA GLU 150 10.905 -4.669 -27.570 1.00 0.00 H -ATOM 2292 CB GLU 150 11.070 -5.084 -29.631 1.00 0.00 C -ATOM 2293 HB2 GLU 150 11.080 -6.146 -29.384 1.00 0.00 H -ATOM 2294 HB3 GLU 150 10.108 -4.665 -29.928 1.00 0.00 H -ATOM 2295 CG GLU 150 11.941 -5.024 -30.958 1.00 0.00 C -ATOM 2296 HG2 GLU 150 12.006 -3.970 -31.230 1.00 0.00 H -ATOM 2297 HG3 GLU 150 12.927 -5.417 -30.707 1.00 0.00 H -ATOM 2298 CD GLU 150 11.316 -5.809 -32.082 1.00 0.00 C -ATOM 2299 OE1 GLU 150 10.289 -5.420 -32.593 1.00 0.00 O -ATOM 2300 OE2 GLU 150 11.769 -6.931 -32.408 1.00 0.00 O -ATOM 2301 C GLU 150 12.944 -4.638 -27.980 1.00 0.00 C -ATOM 2302 O GLU 150 13.110 -5.702 -27.374 1.00 0.00 O -ATOM 2303 N LYS 151 13.918 -3.791 -28.213 1.00 0.00 N -ATOM 2304 H LYS 151 13.721 -2.998 -28.807 1.00 0.00 H -ATOM 2305 CA LYS 151 15.351 -3.943 -27.979 1.00 0.00 C -ATOM 2306 HA LYS 151 15.513 -4.919 -27.522 1.00 0.00 H -ATOM 2307 CB LYS 151 16.162 -3.801 -29.250 1.00 0.00 C -ATOM 2308 HB2 LYS 151 16.150 -2.774 -29.614 1.00 0.00 H -ATOM 2309 HB3 LYS 151 17.208 -3.951 -28.983 1.00 0.00 H -ATOM 2310 CG LYS 151 15.787 -4.726 -30.440 1.00 0.00 C -ATOM 2311 HG2 LYS 151 14.723 -4.594 -30.635 1.00 0.00 H -ATOM 2312 HG3 LYS 151 16.357 -4.646 -31.366 1.00 0.00 H -ATOM 2313 CD LYS 151 15.774 -6.239 -29.997 1.00 0.00 C -ATOM 2314 HD2 LYS 151 16.772 -6.366 -29.576 1.00 0.00 H -ATOM 2315 HD3 LYS 151 14.960 -6.454 -29.306 1.00 0.00 H -ATOM 2316 CE LYS 151 15.523 -7.093 -31.203 1.00 0.00 C -ATOM 2317 HE2 LYS 151 14.866 -6.542 -31.877 1.00 0.00 H -ATOM 2318 HE3 LYS 151 16.521 -7.203 -31.626 1.00 0.00 H -ATOM 2319 NZ LYS 151 14.925 -8.445 -30.890 1.00 0.00 N -ATOM 2320 HZ1 LYS 151 15.120 -8.983 -31.722 1.00 0.00 H -ATOM 2321 HZ2 LYS 151 15.373 -8.895 -30.104 1.00 0.00 H -ATOM 2322 HZ3 LYS 151 13.936 -8.297 -30.742 1.00 0.00 H -ATOM 2323 C LYS 151 15.801 -2.913 -26.889 1.00 0.00 C -ATOM 2324 O LYS 151 14.923 -2.166 -26.387 1.00 0.00 O -ATOM 2325 N ALA 152 17.053 -2.882 -26.503 1.00 0.00 N -ATOM 2326 H ALA 152 17.750 -3.421 -26.998 1.00 0.00 H -ATOM 2327 CA ALA 152 17.567 -2.153 -25.318 1.00 0.00 C -ATOM 2328 HA ALA 152 16.836 -2.262 -24.517 1.00 0.00 H -ATOM 2329 CB ALA 152 18.838 -2.756 -24.736 1.00 0.00 C -ATOM 2330 HB1 ALA 152 18.712 -3.811 -24.494 1.00 0.00 H -ATOM 2331 HB2 ALA 152 19.707 -2.565 -25.366 1.00 0.00 H -ATOM 2332 HB3 ALA 152 19.031 -2.255 -23.787 1.00 0.00 H -ATOM 2333 C ALA 152 17.716 -0.660 -25.499 1.00 0.00 C -ATOM 2334 O ALA 152 18.357 -0.232 -26.504 1.00 0.00 O -ATOM 2335 N MET 153 17.206 0.173 -24.550 1.00 0.00 N -ATOM 2336 H MET 153 16.679 -0.261 -23.806 1.00 0.00 H -ATOM 2337 CA MET 153 17.339 1.638 -24.545 1.00 0.00 C -ATOM 2338 HA MET 153 18.274 2.005 -24.968 1.00 0.00 H -ATOM 2339 CB MET 153 16.260 2.172 -25.505 1.00 0.00 C -ATOM 2340 HB2 MET 153 16.348 1.841 -26.540 1.00 0.00 H -ATOM 2341 HB3 MET 153 15.293 1.860 -25.110 1.00 0.00 H -ATOM 2342 CG MET 153 16.301 3.726 -25.581 1.00 0.00 C -ATOM 2343 HG2 MET 153 15.507 4.092 -26.233 1.00 0.00 H -ATOM 2344 HG3 MET 153 16.062 4.227 -24.643 1.00 0.00 H -ATOM 2345 SD MET 153 17.925 4.509 -25.952 1.00 0.00 S -ATOM 2346 CE MET 153 17.368 6.210 -26.431 1.00 0.00 C -ATOM 2347 HE1 MET 153 16.900 6.202 -27.415 1.00 0.00 H -ATOM 2348 HE2 MET 153 16.776 6.739 -25.685 1.00 0.00 H -ATOM 2349 HE3 MET 153 18.279 6.808 -26.398 1.00 0.00 H -ATOM 2350 C MET 153 17.170 2.148 -23.088 1.00 0.00 C -ATOM 2351 O MET 153 16.047 2.056 -22.568 1.00 0.00 O -ATOM 2352 N PRO 154 18.197 2.731 -22.448 1.00 0.00 N -ATOM 2353 CD PRO 154 19.547 3.095 -22.937 1.00 0.00 C -ATOM 2354 HD2 PRO 154 19.431 3.730 -23.815 1.00 0.00 H -ATOM 2355 HD3 PRO 154 20.116 2.229 -23.276 1.00 0.00 H -ATOM 2356 CG PRO 154 20.284 3.885 -21.793 1.00 0.00 C -ATOM 2357 HG2 PRO 154 20.271 4.922 -22.127 1.00 0.00 H -ATOM 2358 HG3 PRO 154 21.309 3.533 -21.674 1.00 0.00 H -ATOM 2359 CB PRO 154 19.395 3.708 -20.540 1.00 0.00 C -ATOM 2360 HB2 PRO 154 19.398 4.573 -19.876 1.00 0.00 H -ATOM 2361 HB3 PRO 154 19.664 2.827 -19.958 1.00 0.00 H -ATOM 2362 CA PRO 154 18.051 3.377 -21.094 1.00 0.00 C -ATOM 2363 HA PRO 154 17.645 2.634 -20.407 1.00 0.00 H -ATOM 2364 C PRO 154 17.111 4.616 -21.144 1.00 0.00 C -ATOM 2365 O PRO 154 16.915 5.324 -22.164 1.00 0.00 O -ATOM 2366 N SER 155 16.568 5.104 -19.996 1.00 0.00 N -ATOM 2367 H SER 155 16.757 4.683 -19.097 1.00 0.00 H -ATOM 2368 CA SER 155 15.635 6.127 -19.769 1.00 0.00 C -ATOM 2369 HA SER 155 15.048 6.111 -18.850 1.00 0.00 H -ATOM 2370 CB SER 155 16.403 7.497 -19.748 1.00 0.00 C -ATOM 2371 HB2 SER 155 17.223 7.395 -20.458 1.00 0.00 H -ATOM 2372 HB3 SER 155 15.769 8.335 -20.037 1.00 0.00 H -ATOM 2373 OG SER 155 16.980 7.651 -18.492 1.00 0.00 O -ATOM 2374 HG SER 155 16.790 8.536 -18.173 1.00 0.00 H -ATOM 2375 C SER 155 14.492 6.159 -20.826 1.00 0.00 C -ATOM 2376 O SER 155 14.263 7.188 -21.407 1.00 0.00 O -ATOM 2377 N TYR 156 13.826 5.028 -20.965 1.00 0.00 N -ATOM 2378 H TYR 156 14.095 4.204 -20.446 1.00 0.00 H -ATOM 2379 CA TYR 156 12.899 4.857 -22.081 1.00 0.00 C -ATOM 2380 HA TYR 156 12.546 5.853 -22.347 1.00 0.00 H -ATOM 2381 CB TYR 156 13.664 4.205 -23.252 1.00 0.00 C -ATOM 2382 HB2 TYR 156 14.694 4.557 -23.197 1.00 0.00 H -ATOM 2383 HB3 TYR 156 13.746 3.118 -23.247 1.00 0.00 H -ATOM 2384 CG TYR 156 13.050 4.666 -24.540 1.00 0.00 C -ATOM 2385 CD1 TYR 156 13.464 5.901 -25.103 1.00 0.00 C -ATOM 2386 HD1 TYR 156 14.127 6.596 -24.609 1.00 0.00 H -ATOM 2387 CE1 TYR 156 12.971 6.283 -26.316 1.00 0.00 C -ATOM 2388 HE1 TYR 156 13.257 7.209 -26.792 1.00 0.00 H -ATOM 2389 CZ TYR 156 11.922 5.557 -26.888 1.00 0.00 C -ATOM 2390 OH TYR 156 11.611 5.915 -28.159 1.00 0.00 O -ATOM 2391 HH TYR 156 11.906 6.820 -28.287 1.00 0.00 H -ATOM 2392 CE2 TYR 156 11.541 4.276 -26.354 1.00 0.00 C -ATOM 2393 HE2 TYR 156 10.902 3.637 -26.947 1.00 0.00 H -ATOM 2394 CD2 TYR 156 12.036 3.867 -25.115 1.00 0.00 C -ATOM 2395 HD2 TYR 156 11.709 2.912 -24.731 1.00 0.00 H -ATOM 2396 C TYR 156 11.693 3.937 -21.898 1.00 0.00 C -ATOM 2397 O TYR 156 10.641 4.286 -22.378 1.00 0.00 O -ATOM 2398 N ASN 157 11.747 3.000 -20.931 1.00 0.00 N -ATOM 2399 H ASN 157 12.642 2.877 -20.478 1.00 0.00 H -ATOM 2400 CA ASN 157 10.836 1.886 -20.787 1.00 0.00 C -ATOM 2401 HA ASN 157 11.036 1.314 -21.693 1.00 0.00 H -ATOM 2402 CB ASN 157 11.145 1.020 -19.511 1.00 0.00 C -ATOM 2403 HB2 ASN 157 12.213 1.048 -19.294 1.00 0.00 H -ATOM 2404 HB3 ASN 157 10.508 1.261 -18.660 1.00 0.00 H -ATOM 2405 CG ASN 157 10.893 -0.515 -19.835 1.00 0.00 C -ATOM 2406 OD1 ASN 157 10.064 -1.198 -19.232 1.00 0.00 O -ATOM 2407 ND2 ASN 157 11.685 -1.071 -20.751 1.00 0.00 N -ATOM 2408 HD21 ASN 157 11.688 -2.075 -20.865 1.00 0.00 H -ATOM 2409 HD22 ASN 157 12.488 -0.567 -21.098 1.00 0.00 H -ATOM 2410 C ASN 157 9.418 2.278 -20.785 1.00 0.00 C -ATOM 2411 O ASN 157 8.664 1.733 -21.553 1.00 0.00 O -ATOM 2412 N THR 158 9.064 3.225 -19.910 1.00 0.00 N -ATOM 2413 H THR 158 9.786 3.571 -19.293 1.00 0.00 H -ATOM 2414 CA THR 158 7.628 3.781 -19.809 1.00 0.00 C -ATOM 2415 HA THR 158 6.905 2.986 -19.626 1.00 0.00 H -ATOM 2416 CB THR 158 7.412 4.769 -18.634 1.00 0.00 C -ATOM 2417 HB THR 158 7.857 5.671 -19.054 1.00 0.00 H -ATOM 2418 CG2 THR 158 5.914 5.039 -18.258 1.00 0.00 C -ATOM 2419 HG21 THR 158 5.889 5.801 -17.479 1.00 0.00 H -ATOM 2420 HG22 THR 158 5.332 5.411 -19.100 1.00 0.00 H -ATOM 2421 HG23 THR 158 5.425 4.175 -17.806 1.00 0.00 H -ATOM 2422 OG1 THR 158 7.979 4.360 -17.410 1.00 0.00 O -ATOM 2423 HG1 THR 158 8.299 5.173 -17.013 1.00 0.00 H -ATOM 2424 C THR 158 7.144 4.412 -21.177 1.00 0.00 C -ATOM 2425 O THR 158 5.954 4.270 -21.505 1.00 0.00 O -ATOM 2426 N MET 159 7.979 5.023 -21.992 1.00 0.00 N -ATOM 2427 H MET 159 8.935 5.017 -21.666 1.00 0.00 H -ATOM 2428 CA MET 159 7.615 5.449 -23.417 1.00 0.00 C -ATOM 2429 HA MET 159 6.582 5.795 -23.390 1.00 0.00 H -ATOM 2430 CB MET 159 8.565 6.602 -23.874 1.00 0.00 C -ATOM 2431 HB2 MET 159 8.670 7.313 -23.054 1.00 0.00 H -ATOM 2432 HB3 MET 159 9.511 6.255 -24.288 1.00 0.00 H -ATOM 2433 CG MET 159 7.899 7.455 -24.981 1.00 0.00 C -ATOM 2434 HG2 MET 159 7.636 6.857 -25.853 1.00 0.00 H -ATOM 2435 HG3 MET 159 7.004 7.960 -24.618 1.00 0.00 H -ATOM 2436 SD MET 159 8.964 8.835 -25.629 1.00 0.00 S -ATOM 2437 CE MET 159 9.315 9.793 -24.182 1.00 0.00 C -ATOM 2438 HE1 MET 159 8.405 9.974 -23.610 1.00 0.00 H -ATOM 2439 HE2 MET 159 10.032 9.215 -23.599 1.00 0.00 H -ATOM 2440 HE3 MET 159 9.689 10.768 -24.495 1.00 0.00 H -ATOM 2441 C MET 159 7.606 4.239 -24.292 1.00 0.00 C -ATOM 2442 O MET 159 6.666 4.098 -25.128 1.00 0.00 O -ATOM 2443 N GLY 160 8.437 3.231 -24.018 1.00 0.00 N -ATOM 2444 H GLY 160 9.245 3.390 -23.432 1.00 0.00 H -ATOM 2445 CA GLY 160 8.469 1.943 -24.771 1.00 0.00 C -ATOM 2446 HA2 GLY 160 8.594 2.184 -25.827 1.00 0.00 H -ATOM 2447 HA3 GLY 160 9.285 1.322 -24.401 1.00 0.00 H -ATOM 2448 C GLY 160 7.193 1.094 -24.695 1.00 0.00 C -ATOM 2449 O GLY 160 6.725 0.715 -25.793 1.00 0.00 O -ATOM 2450 N VAL 161 6.563 0.902 -23.520 1.00 0.00 N -ATOM 2451 H VAL 161 6.926 1.430 -22.738 1.00 0.00 H -ATOM 2452 CA VAL 161 5.369 0.121 -23.326 1.00 0.00 C -ATOM 2453 HA VAL 161 5.432 -0.888 -23.733 1.00 0.00 H -ATOM 2454 CB VAL 161 5.006 -0.092 -21.862 1.00 0.00 C -ATOM 2455 HB VAL 161 4.078 -0.659 -21.783 1.00 0.00 H -ATOM 2456 CG1 VAL 161 6.142 -0.904 -21.231 1.00 0.00 C -ATOM 2457 HG11 VAL 161 5.935 -1.281 -20.229 1.00 0.00 H -ATOM 2458 HG12 VAL 161 6.442 -1.675 -21.941 1.00 0.00 H -ATOM 2459 HG13 VAL 161 7.009 -0.267 -21.054 1.00 0.00 H -ATOM 2460 CG2 VAL 161 4.834 1.207 -21.103 1.00 0.00 C -ATOM 2461 HG21 VAL 161 5.790 1.728 -21.055 1.00 0.00 H -ATOM 2462 HG22 VAL 161 4.121 1.850 -21.619 1.00 0.00 H -ATOM 2463 HG23 VAL 161 4.540 0.880 -20.106 1.00 0.00 H -ATOM 2464 C VAL 161 4.158 0.820 -23.981 1.00 0.00 C -ATOM 2465 O VAL 161 3.337 0.166 -24.526 1.00 0.00 O -ATOM 2466 N ALA 162 4.202 2.154 -24.127 1.00 0.00 N -ATOM 2467 H ALA 162 5.020 2.627 -23.769 1.00 0.00 H -ATOM 2468 CA ALA 162 3.269 2.987 -24.869 1.00 0.00 C -ATOM 2469 HA ALA 162 2.288 2.578 -24.629 1.00 0.00 H -ATOM 2470 CB ALA 162 3.290 4.399 -24.282 1.00 0.00 C -ATOM 2471 HB1 ALA 162 4.303 4.769 -24.439 1.00 0.00 H -ATOM 2472 HB2 ALA 162 2.619 5.103 -24.775 1.00 0.00 H -ATOM 2473 HB3 ALA 162 3.060 4.305 -23.221 1.00 0.00 H -ATOM 2474 C ALA 162 3.503 3.009 -26.400 1.00 0.00 C -ATOM 2475 O ALA 162 2.722 3.603 -27.114 1.00 0.00 O -ATOM 2476 N LYS 163 4.657 2.450 -26.909 1.00 0.00 N -ATOM 2477 H LYS 163 5.182 1.787 -26.356 1.00 0.00 H -ATOM 2478 CA LYS 163 4.921 2.306 -28.352 1.00 0.00 C -ATOM 2479 HA LYS 163 4.057 2.723 -28.870 1.00 0.00 H -ATOM 2480 CB LYS 163 6.321 2.980 -28.708 1.00 0.00 C -ATOM 2481 HB2 LYS 163 6.899 2.882 -27.788 1.00 0.00 H -ATOM 2482 HB3 LYS 163 6.829 2.354 -29.441 1.00 0.00 H -ATOM 2483 CG LYS 163 6.331 4.531 -29.057 1.00 0.00 C -ATOM 2484 HG2 LYS 163 5.862 4.915 -28.151 1.00 0.00 H -ATOM 2485 HG3 LYS 163 7.350 4.904 -29.158 1.00 0.00 H -ATOM 2486 CD LYS 163 5.539 4.899 -30.356 1.00 0.00 C -ATOM 2487 HD2 LYS 163 5.804 4.319 -31.240 1.00 0.00 H -ATOM 2488 HD3 LYS 163 4.501 4.669 -30.112 1.00 0.00 H -ATOM 2489 CE LYS 163 5.686 6.392 -30.604 1.00 0.00 C -ATOM 2490 HE2 LYS 163 5.309 6.903 -29.718 1.00 0.00 H -ATOM 2491 HE3 LYS 163 6.729 6.703 -30.658 1.00 0.00 H -ATOM 2492 NZ LYS 163 4.928 6.835 -31.823 1.00 0.00 N -ATOM 2493 HZ1 LYS 163 5.067 7.825 -31.966 1.00 0.00 H -ATOM 2494 HZ2 LYS 163 5.263 6.406 -32.674 1.00 0.00 H -ATOM 2495 HZ3 LYS 163 3.947 6.670 -31.652 1.00 0.00 H -ATOM 2496 C LYS 163 4.900 0.814 -28.686 1.00 0.00 C -ATOM 2497 O LYS 163 4.766 0.530 -29.900 1.00 0.00 O -ATOM 2498 N ALA 164 4.979 -0.155 -27.713 1.00 0.00 N -ATOM 2499 H ALA 164 5.209 0.059 -26.753 1.00 0.00 H -ATOM 2500 CA ALA 164 4.937 -1.545 -28.026 1.00 0.00 C -ATOM 2501 HA ALA 164 5.540 -1.769 -28.906 1.00 0.00 H -ATOM 2502 CB ALA 164 5.437 -2.293 -26.769 1.00 0.00 C -ATOM 2503 HB1 ALA 164 5.322 -3.375 -26.837 1.00 0.00 H -ATOM 2504 HB2 ALA 164 6.504 -2.137 -26.609 1.00 0.00 H -ATOM 2505 HB3 ALA 164 4.908 -1.875 -25.913 1.00 0.00 H -ATOM 2506 C ALA 164 3.478 -1.930 -28.377 1.00 0.00 C -ATOM 2507 O ALA 164 3.380 -2.864 -29.177 1.00 0.00 O -ATOM 2508 N SER 165 2.450 -1.312 -27.811 1.00 0.00 N -ATOM 2509 H SER 165 2.666 -0.564 -27.167 1.00 0.00 H -ATOM 2510 CA SER 165 1.023 -1.356 -28.265 1.00 0.00 C -ATOM 2511 HA SER 165 0.687 -2.375 -28.075 1.00 0.00 H -ATOM 2512 CB SER 165 0.126 -0.551 -27.329 1.00 0.00 C -ATOM 2513 HB2 SER 165 -0.903 -0.532 -27.689 1.00 0.00 H -ATOM 2514 HB3 SER 165 0.205 -1.042 -26.359 1.00 0.00 H -ATOM 2515 OG SER 165 0.682 0.722 -27.055 1.00 0.00 O -ATOM 2516 HG SER 165 0.041 1.107 -26.452 1.00 0.00 H -ATOM 2517 C SER 165 0.691 -0.934 -29.739 1.00 0.00 C -ATOM 2518 O SER 165 -0.379 -1.343 -30.256 1.00 0.00 O -ATOM 2519 N LEU 166 1.537 -0.065 -30.357 1.00 0.00 N -ATOM 2520 H LEU 166 2.139 0.407 -29.698 1.00 0.00 H -ATOM 2521 CA LEU 166 1.484 0.350 -31.768 1.00 0.00 C -ATOM 2522 HA LEU 166 0.581 0.956 -31.838 1.00 0.00 H -ATOM 2523 CB LEU 166 2.673 1.295 -32.035 1.00 0.00 C -ATOM 2524 HB2 LEU 166 2.751 2.046 -31.249 1.00 0.00 H -ATOM 2525 HB3 LEU 166 3.663 0.887 -32.238 1.00 0.00 H -ATOM 2526 CG LEU 166 2.503 2.245 -33.318 1.00 0.00 C -ATOM 2527 HG LEU 166 2.390 1.566 -34.163 1.00 0.00 H -ATOM 2528 CD1 LEU 166 1.258 3.135 -33.271 1.00 0.00 C -ATOM 2529 HD11 LEU 166 1.183 3.845 -34.094 1.00 0.00 H -ATOM 2530 HD12 LEU 166 0.357 2.524 -33.225 1.00 0.00 H -ATOM 2531 HD13 LEU 166 1.312 3.706 -32.344 1.00 0.00 H -ATOM 2532 CD2 LEU 166 3.642 3.212 -33.522 1.00 0.00 C -ATOM 2533 HD21 LEU 166 3.401 4.149 -33.020 1.00 0.00 H -ATOM 2534 HD22 LEU 166 4.548 2.875 -33.019 1.00 0.00 H -ATOM 2535 HD23 LEU 166 3.917 3.189 -34.576 1.00 0.00 H -ATOM 2536 C LEU 166 1.515 -0.897 -32.655 1.00 0.00 C -ATOM 2537 O LEU 166 0.989 -0.816 -33.786 1.00 0.00 O -ATOM 2538 N GLU 167 2.077 -2.033 -32.191 1.00 0.00 N -ATOM 2539 H GLU 167 2.349 -1.913 -31.226 1.00 0.00 H -ATOM 2540 CA GLU 167 2.306 -3.262 -33.048 1.00 0.00 C -ATOM 2541 HA GLU 167 2.599 -3.063 -34.079 1.00 0.00 H -ATOM 2542 CB GLU 167 3.331 -4.138 -32.277 1.00 0.00 C -ATOM 2543 HB2 GLU 167 2.798 -4.358 -31.353 1.00 0.00 H -ATOM 2544 HB3 GLU 167 3.396 -5.034 -32.894 1.00 0.00 H -ATOM 2545 CG GLU 167 4.659 -3.427 -32.138 1.00 0.00 C -ATOM 2546 HG2 GLU 167 5.106 -3.187 -33.103 1.00 0.00 H -ATOM 2547 HG3 GLU 167 4.542 -2.445 -31.678 1.00 0.00 H -ATOM 2548 CD GLU 167 5.641 -4.195 -31.329 1.00 0.00 C -ATOM 2549 OE1 GLU 167 5.744 -5.436 -31.472 1.00 0.00 O -ATOM 2550 OE2 GLU 167 6.396 -3.547 -30.565 1.00 0.00 O -ATOM 2551 C GLU 167 1.008 -4.007 -33.122 1.00 0.00 C -ATOM 2552 O GLU 167 0.615 -4.305 -34.220 1.00 0.00 O -ATOM 2553 N ALA 168 0.239 -4.132 -32.028 1.00 0.00 N -ATOM 2554 H ALA 168 0.607 -3.854 -31.129 1.00 0.00 H -ATOM 2555 CA ALA 168 -1.166 -4.505 -32.134 1.00 0.00 C -ATOM 2556 HA ALA 168 -1.255 -5.453 -32.665 1.00 0.00 H -ATOM 2557 CB ALA 168 -1.835 -4.765 -30.780 1.00 0.00 C -ATOM 2558 HB1 ALA 168 -1.218 -5.479 -30.234 1.00 0.00 H -ATOM 2559 HB2 ALA 168 -1.896 -3.795 -30.286 1.00 0.00 H -ATOM 2560 HB3 ALA 168 -2.828 -5.165 -30.988 1.00 0.00 H -ATOM 2561 C ALA 168 -2.053 -3.520 -32.915 1.00 0.00 C -ATOM 2562 O ALA 168 -3.026 -3.888 -33.590 1.00 0.00 O -ATOM 2563 N THR 169 -1.795 -2.237 -32.689 1.00 0.00 N -ATOM 2564 H THR 169 -1.058 -1.958 -32.058 1.00 0.00 H -ATOM 2565 CA THR 169 -2.697 -1.216 -33.245 1.00 0.00 C -ATOM 2566 HA THR 169 -3.692 -1.504 -32.906 1.00 0.00 H -ATOM 2567 CB THR 169 -2.164 0.119 -32.698 1.00 0.00 C -ATOM 2568 HB THR 169 -1.221 0.344 -33.196 1.00 0.00 H -ATOM 2569 CG2 THR 169 -3.071 1.247 -33.285 1.00 0.00 C -ATOM 2570 HG21 THR 169 -2.911 2.152 -32.697 1.00 0.00 H -ATOM 2571 HG22 THR 169 -2.800 1.533 -34.301 1.00 0.00 H -ATOM 2572 HG23 THR 169 -4.096 0.889 -33.190 1.00 0.00 H -ATOM 2573 OG1 THR 169 -2.329 0.249 -31.339 1.00 0.00 O -ATOM 2574 HG1 THR 169 -1.841 -0.417 -30.849 1.00 0.00 H -ATOM 2575 C THR 169 -2.704 -1.111 -34.780 1.00 0.00 C -ATOM 2576 O THR 169 -3.815 -1.075 -35.330 1.00 0.00 O -ATOM 2577 N VAL 170 -1.540 -1.030 -35.429 1.00 0.00 N -ATOM 2578 H VAL 170 -0.716 -1.167 -34.861 1.00 0.00 H -ATOM 2579 CA VAL 170 -1.405 -0.980 -36.852 1.00 0.00 C -ATOM 2580 HA VAL 170 -1.902 -0.060 -37.160 1.00 0.00 H -ATOM 2581 CB VAL 170 0.019 -0.936 -37.385 1.00 0.00 C -ATOM 2582 HB VAL 170 -0.069 -0.759 -38.457 1.00 0.00 H -ATOM 2583 CG1 VAL 170 0.864 0.253 -36.887 1.00 0.00 C -ATOM 2584 HG11 VAL 170 0.981 0.205 -35.804 1.00 0.00 H -ATOM 2585 HG12 VAL 170 1.848 0.263 -37.357 1.00 0.00 H -ATOM 2586 HG13 VAL 170 0.274 1.154 -37.056 1.00 0.00 H -ATOM 2587 CG2 VAL 170 0.854 -2.215 -37.179 1.00 0.00 C -ATOM 2588 HG21 VAL 170 0.414 -3.097 -37.645 1.00 0.00 H -ATOM 2589 HG22 VAL 170 1.766 -2.050 -37.753 1.00 0.00 H -ATOM 2590 HG23 VAL 170 1.069 -2.361 -36.120 1.00 0.00 H -ATOM 2591 C VAL 170 -2.173 -2.124 -37.496 1.00 0.00 C -ATOM 2592 O VAL 170 -2.831 -1.974 -38.579 1.00 0.00 O -ATOM 2593 N ARG 171 -2.289 -3.303 -36.849 1.00 0.00 N -ATOM 2594 H ARG 171 -1.977 -3.302 -35.888 1.00 0.00 H -ATOM 2595 CA ARG 171 -2.940 -4.446 -37.353 1.00 0.00 C -ATOM 2596 HA ARG 171 -2.647 -4.503 -38.401 1.00 0.00 H -ATOM 2597 CB ARG 171 -2.440 -5.737 -36.642 1.00 0.00 C -ATOM 2598 HB2 ARG 171 -1.353 -5.676 -36.693 1.00 0.00 H -ATOM 2599 HB3 ARG 171 -2.779 -5.814 -35.609 1.00 0.00 H -ATOM 2600 CG ARG 171 -3.024 -7.060 -37.106 1.00 0.00 C -ATOM 2601 HG2 ARG 171 -4.073 -7.023 -36.812 1.00 0.00 H -ATOM 2602 HG3 ARG 171 -3.017 -7.108 -38.195 1.00 0.00 H -ATOM 2603 CD ARG 171 -2.388 -8.343 -36.489 1.00 0.00 C -ATOM 2604 HD2 ARG 171 -1.347 -8.500 -36.769 1.00 0.00 H -ATOM 2605 HD3 ARG 171 -2.436 -8.334 -35.400 1.00 0.00 H -ATOM 2606 NE ARG 171 -3.176 -9.540 -36.859 1.00 0.00 N -ATOM 2607 HE ARG 171 -3.876 -9.840 -36.196 1.00 0.00 H -ATOM 2608 CZ ARG 171 -2.879 -10.400 -37.887 1.00 0.00 C -ATOM 2609 NH1 ARG 171 -1.927 -10.288 -38.781 1.00 0.00 N -ATOM 2610 HH11 ARG 171 -1.402 -9.427 -38.853 1.00 0.00 H -ATOM 2611 HH12 ARG 171 -2.028 -10.804 -39.643 1.00 0.00 H -ATOM 2612 NH2 ARG 171 -3.493 -11.514 -37.913 1.00 0.00 N -ATOM 2613 HH21 ARG 171 -4.239 -11.672 -37.251 1.00 0.00 H -ATOM 2614 HH22 ARG 171 -3.231 -12.174 -38.631 1.00 0.00 H -ATOM 2615 C ARG 171 -4.437 -4.170 -37.247 1.00 0.00 C -ATOM 2616 O ARG 171 -5.164 -4.190 -38.236 1.00 0.00 O -ATOM 2617 N TYR 172 -4.988 -3.896 -36.073 1.00 0.00 N -ATOM 2618 H TYR 172 -4.356 -3.976 -35.289 1.00 0.00 H -ATOM 2619 CA TYR 172 -6.377 -3.588 -35.815 1.00 0.00 C -ATOM 2620 HA TYR 172 -7.006 -4.478 -35.844 1.00 0.00 H -ATOM 2621 CB TYR 172 -6.535 -3.059 -34.422 1.00 0.00 C -ATOM 2622 HB2 TYR 172 -6.563 -3.910 -33.742 1.00 0.00 H -ATOM 2623 HB3 TYR 172 -5.690 -2.471 -34.062 1.00 0.00 H -ATOM 2624 CG TYR 172 -7.812 -2.179 -34.195 1.00 0.00 C -ATOM 2625 CD1 TYR 172 -7.667 -0.825 -33.881 1.00 0.00 C -ATOM 2626 HD1 TYR 172 -6.697 -0.371 -33.739 1.00 0.00 H -ATOM 2627 CE1 TYR 172 -8.788 0.030 -33.942 1.00 0.00 C -ATOM 2628 HE1 TYR 172 -8.689 1.101 -33.851 1.00 0.00 H -ATOM 2629 CZ TYR 172 -10.110 -0.493 -33.958 1.00 0.00 C -ATOM 2630 OH TYR 172 -11.155 0.418 -34.063 1.00 0.00 O -ATOM 2631 HH TYR 172 -11.993 0.024 -33.810 1.00 0.00 H -ATOM 2632 CE2 TYR 172 -10.259 -1.876 -34.238 1.00 0.00 C -ATOM 2633 HE2 TYR 172 -11.272 -2.234 -34.343 1.00 0.00 H -ATOM 2634 CD2 TYR 172 -9.131 -2.662 -34.397 1.00 0.00 C -ATOM 2635 HD2 TYR 172 -9.295 -3.695 -34.668 1.00 0.00 H -ATOM 2636 C TYR 172 -7.027 -2.600 -36.862 1.00 0.00 C -ATOM 2637 O TYR 172 -8.011 -2.835 -37.551 1.00 0.00 O -ATOM 2638 N THR 173 -6.336 -1.469 -36.944 1.00 0.00 N -ATOM 2639 H THR 173 -5.525 -1.383 -36.348 1.00 0.00 H -ATOM 2640 CA THR 173 -6.578 -0.348 -37.869 1.00 0.00 C -ATOM 2641 HA THR 173 -7.587 -0.046 -37.591 1.00 0.00 H -ATOM 2642 CB THR 173 -5.636 0.762 -37.503 1.00 0.00 C -ATOM 2643 HB THR 173 -4.610 0.502 -37.762 1.00 0.00 H -ATOM 2644 CG2 THR 173 -6.113 2.104 -37.957 1.00 0.00 C -ATOM 2645 HG21 THR 173 -5.335 2.859 -38.073 1.00 0.00 H -ATOM 2646 HG22 THR 173 -6.505 2.002 -38.969 1.00 0.00 H -ATOM 2647 HG23 THR 173 -6.977 2.389 -37.357 1.00 0.00 H -ATOM 2648 OG1 THR 173 -5.637 0.879 -36.095 1.00 0.00 O -ATOM 2649 HG1 THR 173 -4.875 0.356 -35.837 1.00 0.00 H -ATOM 2650 C THR 173 -6.594 -0.608 -39.340 1.00 0.00 C -ATOM 2651 O THR 173 -7.487 -0.326 -40.104 1.00 0.00 O -ATOM 2652 N ALA 174 -5.639 -1.444 -39.798 1.00 0.00 N -ATOM 2653 H ALA 174 -4.785 -1.619 -39.288 1.00 0.00 H -ATOM 2654 CA ALA 174 -5.611 -2.062 -41.150 1.00 0.00 C -ATOM 2655 HA ALA 174 -5.693 -1.273 -41.897 1.00 0.00 H -ATOM 2656 CB ALA 174 -4.272 -2.752 -41.451 1.00 0.00 C -ATOM 2657 HB1 ALA 174 -3.370 -2.209 -41.170 1.00 0.00 H -ATOM 2658 HB2 ALA 174 -4.162 -3.786 -41.123 1.00 0.00 H -ATOM 2659 HB3 ALA 174 -4.124 -2.807 -42.529 1.00 0.00 H -ATOM 2660 C ALA 174 -6.776 -3.072 -41.372 1.00 0.00 C -ATOM 2661 O ALA 174 -7.312 -2.956 -42.473 1.00 0.00 O -ATOM 2662 N LEU 175 -7.225 -3.971 -40.484 1.00 0.00 N -ATOM 2663 H LEU 175 -6.767 -3.886 -39.587 1.00 0.00 H -ATOM 2664 CA LEU 175 -8.457 -4.821 -40.662 1.00 0.00 C -ATOM 2665 HA LEU 175 -8.422 -5.251 -41.663 1.00 0.00 H -ATOM 2666 CB LEU 175 -8.513 -5.913 -39.501 1.00 0.00 C -ATOM 2667 HB2 LEU 175 -7.577 -6.458 -39.627 1.00 0.00 H -ATOM 2668 HB3 LEU 175 -8.487 -5.434 -38.523 1.00 0.00 H -ATOM 2669 CG LEU 175 -9.778 -6.890 -39.656 1.00 0.00 C -ATOM 2670 HG LEU 175 -10.694 -6.362 -39.391 1.00 0.00 H -ATOM 2671 CD1 LEU 175 -9.866 -7.479 -41.079 1.00 0.00 C -ATOM 2672 HD11 LEU 175 -10.022 -6.691 -41.815 1.00 0.00 H -ATOM 2673 HD12 LEU 175 -9.016 -8.082 -41.398 1.00 0.00 H -ATOM 2674 HD13 LEU 175 -10.642 -8.241 -41.157 1.00 0.00 H -ATOM 2675 CD2 LEU 175 -9.606 -8.062 -38.749 1.00 0.00 C -ATOM 2676 HD21 LEU 175 -10.605 -8.497 -38.723 1.00 0.00 H -ATOM 2677 HD22 LEU 175 -8.918 -8.828 -39.105 1.00 0.00 H -ATOM 2678 HD23 LEU 175 -9.502 -7.727 -37.717 1.00 0.00 H -ATOM 2679 C LEU 175 -9.723 -3.879 -40.663 1.00 0.00 C -ATOM 2680 O LEU 175 -10.689 -4.108 -41.388 1.00 0.00 O -ATOM 2681 N ALA 176 -9.728 -2.781 -39.896 1.00 0.00 N -ATOM 2682 H ALA 176 -8.924 -2.653 -39.298 1.00 0.00 H -ATOM 2683 CA ALA 176 -10.741 -1.791 -39.838 1.00 0.00 C -ATOM 2684 HA ALA 176 -11.711 -2.207 -39.566 1.00 0.00 H -ATOM 2685 CB ALA 176 -10.595 -0.812 -38.633 1.00 0.00 C -ATOM 2686 HB1 ALA 176 -11.266 -0.001 -38.919 1.00 0.00 H -ATOM 2687 HB2 ALA 176 -10.879 -1.278 -37.690 1.00 0.00 H -ATOM 2688 HB3 ALA 176 -9.599 -0.396 -38.483 1.00 0.00 H -ATOM 2689 C ALA 176 -10.894 -0.984 -41.085 1.00 0.00 C -ATOM 2690 O ALA 176 -12.025 -0.801 -41.557 1.00 0.00 O -ATOM 2691 N LEU 177 -9.805 -0.500 -41.723 1.00 0.00 N -ATOM 2692 H LEU 177 -8.988 -0.541 -41.130 1.00 0.00 H -ATOM 2693 CA LEU 177 -9.839 0.459 -42.838 1.00 0.00 C -ATOM 2694 HA LEU 177 -10.764 1.009 -42.668 1.00 0.00 H -ATOM 2695 CB LEU 177 -8.811 1.643 -42.679 1.00 0.00 C -ATOM 2696 HB2 LEU 177 -7.862 1.256 -42.308 1.00 0.00 H -ATOM 2697 HB3 LEU 177 -8.566 1.941 -43.699 1.00 0.00 H -ATOM 2698 CG LEU 177 -9.231 2.902 -41.863 1.00 0.00 C -ATOM 2699 HG LEU 177 -10.074 3.282 -42.440 1.00 0.00 H -ATOM 2700 CD1 LEU 177 -9.523 2.621 -40.427 1.00 0.00 C -ATOM 2701 HD11 LEU 177 -8.634 2.301 -39.885 1.00 0.00 H -ATOM 2702 HD12 LEU 177 -10.036 3.474 -39.981 1.00 0.00 H -ATOM 2703 HD13 LEU 177 -10.307 1.865 -40.462 1.00 0.00 H -ATOM 2704 CD2 LEU 177 -8.095 3.882 -41.927 1.00 0.00 C -ATOM 2705 HD21 LEU 177 -7.919 4.178 -42.961 1.00 0.00 H -ATOM 2706 HD22 LEU 177 -8.247 4.757 -41.294 1.00 0.00 H -ATOM 2707 HD23 LEU 177 -7.176 3.441 -41.542 1.00 0.00 H -ATOM 2708 C LEU 177 -9.755 -0.213 -44.198 1.00 0.00 C -ATOM 2709 O LEU 177 -10.005 0.477 -45.204 1.00 0.00 O -ATOM 2710 N GLY 178 -9.499 -1.501 -44.300 1.00 0.00 N -ATOM 2711 H GLY 178 -9.234 -2.039 -43.487 1.00 0.00 H -ATOM 2712 CA GLY 178 -9.467 -2.123 -45.623 1.00 0.00 C -ATOM 2713 HA2 GLY 178 -8.643 -1.782 -46.249 1.00 0.00 H -ATOM 2714 HA3 GLY 178 -9.295 -3.180 -45.420 1.00 0.00 H -ATOM 2715 C GLY 178 -10.702 -1.926 -46.512 1.00 0.00 C -ATOM 2716 O GLY 178 -10.522 -1.924 -47.719 1.00 0.00 O -ATOM 2717 N GLU 179 -11.905 -1.939 -45.947 1.00 0.00 N -ATOM 2718 H GLU 179 -11.902 -2.066 -44.945 1.00 0.00 H -ATOM 2719 CA GLU 179 -13.183 -1.518 -46.566 1.00 0.00 C -ATOM 2720 HA GLU 179 -13.273 -2.248 -47.370 1.00 0.00 H -ATOM 2721 CB GLU 179 -14.398 -1.551 -45.633 1.00 0.00 C -ATOM 2722 HB2 GLU 179 -15.303 -1.287 -46.180 1.00 0.00 H -ATOM 2723 HB3 GLU 179 -14.545 -2.596 -45.360 1.00 0.00 H -ATOM 2724 CG GLU 179 -14.223 -0.612 -44.394 1.00 0.00 C -ATOM 2725 HG2 GLU 179 -13.369 -0.992 -43.832 1.00 0.00 H -ATOM 2726 HG3 GLU 179 -14.077 0.391 -44.796 1.00 0.00 H -ATOM 2727 CD GLU 179 -15.480 -0.462 -43.486 1.00 0.00 C -ATOM 2728 OE1 GLU 179 -15.925 0.745 -43.413 1.00 0.00 O -ATOM 2729 OE2 GLU 179 -16.024 -1.461 -43.036 1.00 0.00 O -ATOM 2730 C GLU 179 -13.220 -0.188 -47.289 1.00 0.00 C -ATOM 2731 O GLU 179 -13.757 -0.037 -48.372 1.00 0.00 O -ATOM 2732 N ASP 180 -12.472 0.866 -46.763 1.00 0.00 N -ATOM 2733 H ASP 180 -12.154 0.781 -45.808 1.00 0.00 H -ATOM 2734 CA ASP 180 -12.394 2.202 -47.429 1.00 0.00 C -ATOM 2735 HA ASP 180 -13.265 2.403 -48.053 1.00 0.00 H -ATOM 2736 CB ASP 180 -12.137 3.294 -46.324 1.00 0.00 C -ATOM 2737 HB2 ASP 180 -11.230 2.995 -45.798 1.00 0.00 H -ATOM 2738 HB3 ASP 180 -11.930 4.239 -46.825 1.00 0.00 H -ATOM 2739 CG ASP 180 -13.248 3.459 -45.270 1.00 0.00 C -ATOM 2740 OD1 ASP 180 -12.997 3.270 -44.091 1.00 0.00 O -ATOM 2741 OD2 ASP 180 -14.374 3.820 -45.667 1.00 0.00 O -ATOM 2742 C ASP 180 -11.289 2.206 -48.504 1.00 0.00 C -ATOM 2743 O ASP 180 -11.092 3.277 -49.049 1.00 0.00 O -ATOM 2744 N GLY 181 -10.505 1.146 -48.684 1.00 0.00 N -ATOM 2745 H GLY 181 -10.715 0.340 -48.112 1.00 0.00 H -ATOM 2746 CA GLY 181 -9.551 0.883 -49.748 1.00 0.00 C -ATOM 2747 HA2 GLY 181 -9.649 -0.155 -50.064 1.00 0.00 H -ATOM 2748 HA3 GLY 181 -9.718 1.636 -50.519 1.00 0.00 H -ATOM 2749 C GLY 181 -8.083 1.077 -49.232 1.00 0.00 C -ATOM 2750 O GLY 181 -7.176 0.886 -49.988 1.00 0.00 O -ATOM 2751 N ILE 182 -7.910 1.401 -47.927 1.00 0.00 N -ATOM 2752 H ILE 182 -8.705 1.486 -47.309 1.00 0.00 H -ATOM 2753 CA ILE 182 -6.734 1.970 -47.353 1.00 0.00 C -ATOM 2754 HA ILE 182 -6.117 2.572 -48.019 1.00 0.00 H -ATOM 2755 CB ILE 182 -7.057 3.011 -46.225 1.00 0.00 C -ATOM 2756 HB ILE 182 -7.648 2.379 -45.562 1.00 0.00 H -ATOM 2757 CG2 ILE 182 -5.943 3.492 -45.328 1.00 0.00 C -ATOM 2758 HG21 ILE 182 -5.281 4.012 -46.020 1.00 0.00 H -ATOM 2759 HG22 ILE 182 -6.265 4.194 -44.559 1.00 0.00 H -ATOM 2760 HG23 ILE 182 -5.379 2.658 -44.909 1.00 0.00 H -ATOM 2761 CG1 ILE 182 -7.909 4.178 -46.770 1.00 0.00 C -ATOM 2762 HG12 ILE 182 -7.296 4.913 -47.293 1.00 0.00 H -ATOM 2763 HG13 ILE 182 -8.556 3.845 -47.581 1.00 0.00 H -ATOM 2764 CD1 ILE 182 -8.763 4.936 -45.708 1.00 0.00 C -ATOM 2765 HD11 ILE 182 -9.429 5.724 -46.060 1.00 0.00 H -ATOM 2766 HD12 ILE 182 -9.362 4.179 -45.202 1.00 0.00 H -ATOM 2767 HD13 ILE 182 -8.121 5.302 -44.906 1.00 0.00 H -ATOM 2768 C ILE 182 -5.834 0.880 -46.714 1.00 0.00 C -ATOM 2769 O ILE 182 -6.271 0.081 -45.881 1.00 0.00 O -ATOM 2770 N LYS 183 -4.519 0.917 -46.963 1.00 0.00 N -ATOM 2771 H LYS 183 -4.170 1.655 -47.558 1.00 0.00 H -ATOM 2772 CA LYS 183 -3.489 0.222 -46.244 1.00 0.00 C -ATOM 2773 HA LYS 183 -3.920 -0.662 -45.774 1.00 0.00 H -ATOM 2774 CB LYS 183 -2.488 -0.382 -47.355 1.00 0.00 C -ATOM 2775 HB2 LYS 183 -1.777 -1.074 -46.904 1.00 0.00 H -ATOM 2776 HB3 LYS 183 -3.110 -1.031 -47.972 1.00 0.00 H -ATOM 2777 CG LYS 183 -1.862 0.760 -48.188 1.00 0.00 C -ATOM 2778 HG2 LYS 183 -2.586 1.566 -48.306 1.00 0.00 H -ATOM 2779 HG3 LYS 183 -1.037 1.206 -47.632 1.00 0.00 H -ATOM 2780 CD LYS 183 -1.627 0.151 -49.532 1.00 0.00 C -ATOM 2781 HD2 LYS 183 -0.979 -0.725 -49.502 1.00 0.00 H -ATOM 2782 HD3 LYS 183 -2.598 -0.237 -49.842 1.00 0.00 H -ATOM 2783 CE LYS 183 -1.080 1.157 -50.556 1.00 0.00 C -ATOM 2784 HE2 LYS 183 -1.181 0.702 -51.541 1.00 0.00 H -ATOM 2785 HE3 LYS 183 -1.710 2.043 -50.468 1.00 0.00 H -ATOM 2786 NZ LYS 183 0.354 1.533 -50.385 1.00 0.00 N -ATOM 2787 HZ1 LYS 183 0.580 1.770 -49.430 1.00 0.00 H -ATOM 2788 HZ2 LYS 183 0.955 0.742 -50.567 1.00 0.00 H -ATOM 2789 HZ3 LYS 183 0.593 2.339 -50.946 1.00 0.00 H -ATOM 2790 C LYS 183 -2.772 0.950 -45.026 1.00 0.00 C -ATOM 2791 O LYS 183 -2.473 2.170 -45.133 1.00 0.00 O -ATOM 2792 N VAL 184 -2.668 0.296 -43.894 1.00 0.00 N -ATOM 2793 H VAL 184 -2.693 -0.707 -44.009 1.00 0.00 H -ATOM 2794 CA VAL 184 -2.101 0.930 -42.716 1.00 0.00 C -ATOM 2795 HA VAL 184 -1.878 1.956 -43.010 1.00 0.00 H -ATOM 2796 CB VAL 184 -3.079 1.010 -41.550 1.00 0.00 C -ATOM 2797 HB VAL 184 -3.420 0.055 -41.151 1.00 0.00 H -ATOM 2798 CG1 VAL 184 -2.410 1.811 -40.304 1.00 0.00 C -ATOM 2799 HG11 VAL 184 -1.758 1.140 -39.746 1.00 0.00 H -ATOM 2800 HG12 VAL 184 -1.791 2.636 -40.656 1.00 0.00 H -ATOM 2801 HG13 VAL 184 -3.194 2.109 -39.608 1.00 0.00 H -ATOM 2802 CG2 VAL 184 -4.412 1.769 -41.816 1.00 0.00 C -ATOM 2803 HG21 VAL 184 -5.092 1.580 -40.986 1.00 0.00 H -ATOM 2804 HG22 VAL 184 -4.196 2.832 -41.920 1.00 0.00 H -ATOM 2805 HG23 VAL 184 -4.831 1.483 -42.781 1.00 0.00 H -ATOM 2806 C VAL 184 -0.774 0.179 -42.357 1.00 0.00 C -ATOM 2807 O VAL 184 -0.701 -0.993 -42.269 1.00 0.00 O -ATOM 2808 N ASN 185 0.263 0.910 -42.045 1.00 0.00 N -ATOM 2809 H ASN 185 0.195 1.890 -42.281 1.00 0.00 H -ATOM 2810 CA ASN 185 1.574 0.410 -41.465 1.00 0.00 C -ATOM 2811 HA ASN 185 1.470 -0.609 -41.091 1.00 0.00 H -ATOM 2812 CB ASN 185 2.542 0.282 -42.643 1.00 0.00 C -ATOM 2813 HB2 ASN 185 2.484 1.213 -43.207 1.00 0.00 H -ATOM 2814 HB3 ASN 185 3.580 0.024 -42.434 1.00 0.00 H -ATOM 2815 CG ASN 185 2.089 -0.867 -43.502 1.00 0.00 C -ATOM 2816 OD1 ASN 185 2.096 -2.010 -42.970 1.00 0.00 O -ATOM 2817 ND2 ASN 185 1.823 -0.767 -44.771 1.00 0.00 N -ATOM 2818 HD21 ASN 185 1.434 -1.561 -45.260 1.00 0.00 H -ATOM 2819 HD22 ASN 185 1.655 0.151 -45.159 1.00 0.00 H -ATOM 2820 C ASN 185 2.232 1.288 -40.371 1.00 0.00 C -ATOM 2821 O ASN 185 1.710 2.346 -40.015 1.00 0.00 O -ATOM 2822 N ALA 186 3.486 0.927 -39.945 1.00 0.00 N -ATOM 2823 H ALA 186 3.862 0.011 -40.140 1.00 0.00 H -ATOM 2824 CA ALA 186 4.394 1.828 -39.240 1.00 0.00 C -ATOM 2825 HA ALA 186 4.196 2.861 -39.527 1.00 0.00 H -ATOM 2826 CB ALA 186 4.101 1.736 -37.786 1.00 0.00 C -ATOM 2827 HB1 ALA 186 4.074 0.700 -37.448 1.00 0.00 H -ATOM 2828 HB2 ALA 186 4.866 2.231 -37.189 1.00 0.00 H -ATOM 2829 HB3 ALA 186 3.205 2.298 -37.521 1.00 0.00 H -ATOM 2830 C ALA 186 5.843 1.538 -39.491 1.00 0.00 C -ATOM 2831 O ALA 186 6.248 0.549 -40.071 1.00 0.00 O -ATOM 2832 N VAL 187 6.611 2.599 -39.214 1.00 0.00 N -ATOM 2833 H VAL 187 6.197 3.422 -38.800 1.00 0.00 H -ATOM 2834 CA VAL 187 8.106 2.564 -39.372 1.00 0.00 C -ATOM 2835 HA VAL 187 8.427 1.592 -39.747 1.00 0.00 H -ATOM 2836 CB VAL 187 8.541 3.690 -40.354 1.00 0.00 C -ATOM 2837 HB VAL 187 8.303 4.635 -39.866 1.00 0.00 H -ATOM 2838 CG1 VAL 187 10.077 3.667 -40.667 1.00 0.00 C -ATOM 2839 HG11 VAL 187 10.449 4.443 -41.337 1.00 0.00 H -ATOM 2840 HG12 VAL 187 10.598 3.763 -39.715 1.00 0.00 H -ATOM 2841 HG13 VAL 187 10.267 2.705 -41.143 1.00 0.00 H -ATOM 2842 CG2 VAL 187 7.913 3.566 -41.749 1.00 0.00 C -ATOM 2843 HG21 VAL 187 7.972 2.530 -42.082 1.00 0.00 H -ATOM 2844 HG22 VAL 187 6.892 3.943 -41.686 1.00 0.00 H -ATOM 2845 HG23 VAL 187 8.321 4.192 -42.543 1.00 0.00 H -ATOM 2846 C VAL 187 8.881 2.713 -38.111 1.00 0.00 C -ATOM 2847 O VAL 187 8.848 3.689 -37.474 1.00 0.00 O -ATOM 2848 N SER 188 9.718 1.720 -37.837 1.00 0.00 N -ATOM 2849 H SER 188 9.837 1.129 -38.647 1.00 0.00 H -ATOM 2850 CA SER 188 10.744 1.758 -36.775 1.00 0.00 C -ATOM 2851 HA SER 188 10.588 2.594 -36.092 1.00 0.00 H -ATOM 2852 CB SER 188 10.739 0.416 -36.016 1.00 0.00 C -ATOM 2853 HB2 SER 188 9.689 0.188 -35.837 1.00 0.00 H -ATOM 2854 HB3 SER 188 11.097 -0.385 -36.663 1.00 0.00 H -ATOM 2855 OG SER 188 11.498 0.340 -34.845 1.00 0.00 O -ATOM 2856 HG SER 188 10.953 -0.027 -34.146 1.00 0.00 H -ATOM 2857 C SER 188 12.159 2.088 -37.364 1.00 0.00 C -ATOM 2858 O SER 188 12.439 1.930 -38.500 1.00 0.00 O -ATOM 2859 N ALA 189 13.078 2.522 -36.497 1.00 0.00 N -ATOM 2860 H ALA 189 12.819 2.714 -35.540 1.00 0.00 H -ATOM 2861 CA ALA 189 14.483 2.864 -36.755 1.00 0.00 C -ATOM 2862 HA ALA 189 14.920 2.076 -37.368 1.00 0.00 H -ATOM 2863 CB ALA 189 14.541 4.142 -37.601 1.00 0.00 C -ATOM 2864 HB1 ALA 189 13.676 4.384 -38.219 1.00 0.00 H -ATOM 2865 HB2 ALA 189 14.818 5.035 -37.040 1.00 0.00 H -ATOM 2866 HB3 ALA 189 15.367 4.021 -38.302 1.00 0.00 H -ATOM 2867 C ALA 189 15.218 2.993 -35.386 1.00 0.00 C -ATOM 2868 O ALA 189 14.579 3.055 -34.333 1.00 0.00 O -ATOM 2869 N GLY 190 16.578 2.928 -35.478 1.00 0.00 N -ATOM 2870 H GLY 190 16.984 2.790 -36.392 1.00 0.00 H -ATOM 2871 CA GLY 190 17.470 3.291 -34.366 1.00 0.00 C -ATOM 2872 HA2 GLY 190 17.016 3.105 -33.392 1.00 0.00 H -ATOM 2873 HA3 GLY 190 18.394 2.714 -34.402 1.00 0.00 H -ATOM 2874 C GLY 190 17.708 4.841 -34.316 1.00 0.00 C -ATOM 2875 O GLY 190 16.842 5.580 -34.844 1.00 0.00 O -ATOM 2876 N PRO 191 18.782 5.296 -33.634 1.00 0.00 N -ATOM 2877 CD PRO 191 19.655 4.434 -32.793 1.00 0.00 C -ATOM 2878 HD2 PRO 191 20.318 3.833 -33.416 1.00 0.00 H -ATOM 2879 HD3 PRO 191 18.937 3.798 -32.276 1.00 0.00 H -ATOM 2880 CG PRO 191 20.497 5.362 -31.906 1.00 0.00 C -ATOM 2881 HG2 PRO 191 21.559 5.125 -31.845 1.00 0.00 H -ATOM 2882 HG3 PRO 191 20.111 5.303 -30.888 1.00 0.00 H -ATOM 2883 CB PRO 191 20.166 6.840 -32.308 1.00 0.00 C -ATOM 2884 HB2 PRO 191 21.064 7.243 -32.777 1.00 0.00 H -ATOM 2885 HB3 PRO 191 20.131 7.472 -31.421 1.00 0.00 H -ATOM 2886 CA PRO 191 18.923 6.721 -33.292 1.00 0.00 C -ATOM 2887 HA PRO 191 18.036 7.119 -32.800 1.00 0.00 H -ATOM 2888 C PRO 191 19.206 7.606 -34.501 1.00 0.00 C -ATOM 2889 O PRO 191 20.146 7.251 -35.234 1.00 0.00 O -ATOM 2890 N ILE 192 18.322 8.621 -34.748 1.00 0.00 N -ATOM 2891 H ILE 192 17.584 8.785 -34.078 1.00 0.00 H -ATOM 2892 CA ILE 192 18.413 9.699 -35.774 1.00 0.00 C -ATOM 2893 HA ILE 192 19.110 9.427 -36.566 1.00 0.00 H -ATOM 2894 CB ILE 192 17.077 9.836 -36.483 1.00 0.00 C -ATOM 2895 HB ILE 192 16.252 10.004 -35.790 1.00 0.00 H -ATOM 2896 CG2 ILE 192 17.205 10.908 -37.593 1.00 0.00 C -ATOM 2897 HG21 ILE 192 17.993 10.639 -38.296 1.00 0.00 H -ATOM 2898 HG22 ILE 192 16.268 10.930 -38.150 1.00 0.00 H -ATOM 2899 HG23 ILE 192 17.432 11.916 -37.247 1.00 0.00 H -ATOM 2900 CG1 ILE 192 16.851 8.459 -37.206 1.00 0.00 C -ATOM 2901 HG12 ILE 192 17.517 8.327 -38.059 1.00 0.00 H -ATOM 2902 HG13 ILE 192 16.972 7.668 -36.467 1.00 0.00 H -ATOM 2903 CD1 ILE 192 15.388 8.274 -37.532 1.00 0.00 C -ATOM 2904 HD11 ILE 192 15.146 9.098 -38.203 1.00 0.00 H -ATOM 2905 HD12 ILE 192 15.204 7.330 -38.046 1.00 0.00 H -ATOM 2906 HD13 ILE 192 14.785 8.279 -36.624 1.00 0.00 H -ATOM 2907 C ILE 192 18.803 10.985 -35.101 1.00 0.00 C -ATOM 2908 O ILE 192 18.113 11.431 -34.185 1.00 0.00 O -ATOM 2909 N LYS 193 19.862 11.627 -35.644 1.00 0.00 N -ATOM 2910 H LYS 193 20.139 11.247 -36.538 1.00 0.00 H -ATOM 2911 CA LYS 193 20.397 12.927 -35.223 1.00 0.00 C -ATOM 2912 HA LYS 193 20.428 12.951 -34.134 1.00 0.00 H -ATOM 2913 CB LYS 193 21.777 13.124 -35.930 1.00 0.00 C -ATOM 2914 HB2 LYS 193 21.519 13.173 -36.988 1.00 0.00 H -ATOM 2915 HB3 LYS 193 22.165 14.080 -35.578 1.00 0.00 H -ATOM 2916 CG LYS 193 22.839 12.055 -35.490 1.00 0.00 C -ATOM 2917 HG2 LYS 193 22.746 11.914 -34.413 1.00 0.00 H -ATOM 2918 HG3 LYS 193 22.625 11.122 -36.011 1.00 0.00 H -ATOM 2919 CD LYS 193 24.337 12.464 -35.821 1.00 0.00 C -ATOM 2920 HD2 LYS 193 24.419 12.648 -36.892 1.00 0.00 H -ATOM 2921 HD3 LYS 193 24.587 13.325 -35.201 1.00 0.00 H -ATOM 2922 CE LYS 193 25.458 11.370 -35.580 1.00 0.00 C -ATOM 2923 HE2 LYS 193 25.264 10.943 -34.596 1.00 0.00 H -ATOM 2924 HE3 LYS 193 25.282 10.645 -36.375 1.00 0.00 H -ATOM 2925 NZ LYS 193 26.809 11.895 -35.715 1.00 0.00 N -ATOM 2926 HZ1 LYS 193 26.947 12.480 -36.526 1.00 0.00 H -ATOM 2927 HZ2 LYS 193 26.952 12.420 -34.864 1.00 0.00 H -ATOM 2928 HZ3 LYS 193 27.555 11.217 -35.669 1.00 0.00 H -ATOM 2929 C LYS 193 19.319 14.104 -35.561 1.00 0.00 C -ATOM 2930 O LYS 193 19.635 15.046 -36.324 1.00 0.00 O -ATOM 2931 N THR 194 18.058 14.049 -35.067 1.00 0.00 N -ATOM 2932 H THR 194 17.730 13.190 -34.651 1.00 0.00 H -ATOM 2933 CA THR 194 17.092 15.172 -35.106 1.00 0.00 C -ATOM 2934 HA THR 194 17.011 15.456 -36.155 1.00 0.00 H -ATOM 2935 CB THR 194 15.718 14.641 -34.721 1.00 0.00 C -ATOM 2936 HB THR 194 14.971 15.433 -34.774 1.00 0.00 H -ATOM 2937 CG2 THR 194 15.441 13.529 -35.709 1.00 0.00 C -ATOM 2938 HG21 THR 194 15.858 12.549 -35.475 1.00 0.00 H -ATOM 2939 HG22 THR 194 14.364 13.395 -35.601 1.00 0.00 H -ATOM 2940 HG23 THR 194 15.699 13.819 -36.728 1.00 0.00 H -ATOM 2941 OG1 THR 194 15.716 14.171 -33.385 1.00 0.00 O -ATOM 2942 HG1 THR 194 14.890 13.734 -33.166 1.00 0.00 H -ATOM 2943 C THR 194 17.509 16.288 -34.145 1.00 0.00 C -ATOM 2944 O THR 194 18.373 16.125 -33.262 1.00 0.00 O -ATOM 2945 N LEU 195 16.829 17.452 -34.159 1.00 0.00 N -ATOM 2946 H LEU 195 16.091 17.530 -34.844 1.00 0.00 H -ATOM 2947 CA LEU 195 16.994 18.499 -33.183 1.00 0.00 C -ATOM 2948 HA LEU 195 18.029 18.801 -33.342 1.00 0.00 H -ATOM 2949 CB LEU 195 16.023 19.739 -33.360 1.00 0.00 C -ATOM 2950 HB2 LEU 195 15.872 19.905 -34.426 1.00 0.00 H -ATOM 2951 HB3 LEU 195 15.074 19.450 -32.907 1.00 0.00 H -ATOM 2952 CG LEU 195 16.650 20.998 -32.758 1.00 0.00 C -ATOM 2953 HG LEU 195 17.113 20.702 -31.816 1.00 0.00 H -ATOM 2954 CD1 LEU 195 17.548 21.593 -33.769 1.00 0.00 C -ATOM 2955 HD11 LEU 195 17.145 21.843 -34.750 1.00 0.00 H -ATOM 2956 HD12 LEU 195 18.043 22.506 -33.437 1.00 0.00 H -ATOM 2957 HD13 LEU 195 18.452 20.988 -33.845 1.00 0.00 H -ATOM 2958 CD2 LEU 195 15.562 22.125 -32.648 1.00 0.00 C -ATOM 2959 HD21 LEU 195 15.965 22.836 -31.926 1.00 0.00 H -ATOM 2960 HD22 LEU 195 15.471 22.677 -33.583 1.00 0.00 H -ATOM 2961 HD23 LEU 195 14.587 21.741 -32.350 1.00 0.00 H -ATOM 2962 C LEU 195 16.890 18.002 -31.716 1.00 0.00 C -ATOM 2963 O LEU 195 17.884 18.086 -30.991 1.00 0.00 O -ATOM 2964 N ALA 196 15.747 17.495 -31.232 1.00 0.00 N -ATOM 2965 H ALA 196 14.893 17.694 -31.735 1.00 0.00 H -ATOM 2966 CA ALA 196 15.539 17.187 -29.834 1.00 0.00 C -ATOM 2967 HA ALA 196 15.666 18.028 -29.153 1.00 0.00 H -ATOM 2968 CB ALA 196 14.168 16.644 -29.515 1.00 0.00 C -ATOM 2969 HB1 ALA 196 13.966 15.710 -30.039 1.00 0.00 H -ATOM 2970 HB2 ALA 196 14.023 16.604 -28.435 1.00 0.00 H -ATOM 2971 HB3 ALA 196 13.500 17.407 -29.915 1.00 0.00 H -ATOM 2972 C ALA 196 16.632 16.133 -29.511 1.00 0.00 C -ATOM 2973 O ALA 196 17.165 16.227 -28.378 1.00 0.00 O -ATOM 2974 N ALA 197 16.885 15.111 -30.318 1.00 0.00 N -ATOM 2975 H ALA 197 16.293 15.045 -31.134 1.00 0.00 H -ATOM 2976 CA ALA 197 17.816 14.063 -30.062 1.00 0.00 C -ATOM 2977 HA ALA 197 17.628 13.745 -29.036 1.00 0.00 H -ATOM 2978 CB ALA 197 17.636 12.903 -30.995 1.00 0.00 C -ATOM 2979 HB1 ALA 197 18.001 13.132 -31.997 1.00 0.00 H -ATOM 2980 HB2 ALA 197 18.284 12.107 -30.628 1.00 0.00 H -ATOM 2981 HB3 ALA 197 16.573 12.667 -30.975 1.00 0.00 H -ATOM 2982 C ALA 197 19.286 14.511 -30.018 1.00 0.00 C -ATOM 2983 O ALA 197 20.178 13.960 -29.323 1.00 0.00 O -ATOM 2984 N SER 198 19.631 15.559 -30.756 1.00 0.00 N -ATOM 2985 H SER 198 18.950 15.893 -31.424 1.00 0.00 H -ATOM 2986 CA SER 198 20.922 16.231 -30.614 1.00 0.00 C -ATOM 2987 HA SER 198 21.743 15.515 -30.666 1.00 0.00 H -ATOM 2988 CB SER 198 21.080 17.043 -31.898 1.00 0.00 C -ATOM 2989 HB2 SER 198 20.285 17.789 -31.855 1.00 0.00 H -ATOM 2990 HB3 SER 198 22.047 17.546 -31.874 1.00 0.00 H -ATOM 2991 OG SER 198 21.034 16.377 -33.125 1.00 0.00 O -ATOM 2992 HG SER 198 20.147 16.009 -33.120 1.00 0.00 H -ATOM 2993 C SER 198 21.098 17.067 -29.368 1.00 0.00 C -ATOM 2994 O SER 198 22.178 17.319 -28.939 1.00 0.00 O -ATOM 2995 N GLY 199 19.970 17.477 -28.773 1.00 0.00 N -ATOM 2996 H GLY 199 19.117 17.494 -29.313 1.00 0.00 H -ATOM 2997 CA GLY 199 20.011 18.325 -27.544 1.00 0.00 C -ATOM 2998 HA2 GLY 199 20.803 19.074 -27.574 1.00 0.00 H -ATOM 2999 HA3 GLY 199 19.044 18.823 -27.484 1.00 0.00 H -ATOM 3000 C GLY 199 20.024 17.472 -26.210 1.00 0.00 C -ATOM 3001 O GLY 199 20.591 17.967 -25.273 1.00 0.00 O -ATOM 3002 N ILE 200 19.439 16.276 -26.140 1.00 0.00 N -ATOM 3003 H ILE 200 19.001 15.850 -26.944 1.00 0.00 H -ATOM 3004 CA ILE 200 19.234 15.604 -24.886 1.00 0.00 C -ATOM 3005 HA ILE 200 18.734 16.295 -24.208 1.00 0.00 H -ATOM 3006 CB ILE 200 18.255 14.407 -25.086 1.00 0.00 C -ATOM 3007 HB ILE 200 17.320 14.848 -25.431 1.00 0.00 H -ATOM 3008 CG2 ILE 200 18.658 13.302 -26.159 1.00 0.00 C -ATOM 3009 HG21 ILE 200 19.402 12.613 -25.760 1.00 0.00 H -ATOM 3010 HG22 ILE 200 17.748 12.752 -26.400 1.00 0.00 H -ATOM 3011 HG23 ILE 200 19.154 13.824 -26.976 1.00 0.00 H -ATOM 3012 CG1 ILE 200 17.951 13.703 -23.694 1.00 0.00 C -ATOM 3013 HG12 ILE 200 18.821 13.140 -23.356 1.00 0.00 H -ATOM 3014 HG13 ILE 200 17.707 14.431 -22.921 1.00 0.00 H -ATOM 3015 CD1 ILE 200 16.740 12.782 -23.820 1.00 0.00 C -ATOM 3016 HD11 ILE 200 15.973 13.299 -24.396 1.00 0.00 H -ATOM 3017 HD12 ILE 200 17.035 11.889 -24.373 1.00 0.00 H -ATOM 3018 HD13 ILE 200 16.428 12.475 -22.822 1.00 0.00 H -ATOM 3019 C ILE 200 20.548 15.164 -24.237 1.00 0.00 C -ATOM 3020 O ILE 200 21.330 14.515 -24.939 1.00 0.00 O -ATOM 3021 N SER 201 20.745 15.317 -22.913 1.00 0.00 N -ATOM 3022 H SER 201 20.082 15.921 -22.448 1.00 0.00 H -ATOM 3023 CA SER 201 21.930 15.031 -22.189 1.00 0.00 C -ATOM 3024 HA SER 201 22.774 15.491 -22.702 1.00 0.00 H -ATOM 3025 CB SER 201 21.735 15.672 -20.784 1.00 0.00 C -ATOM 3026 HB2 SER 201 21.745 16.760 -20.846 1.00 0.00 H -ATOM 3027 HB3 SER 201 20.765 15.441 -20.342 1.00 0.00 H -ATOM 3028 OG SER 201 22.770 15.284 -19.943 1.00 0.00 O -ATOM 3029 HG SER 201 22.381 14.643 -19.344 1.00 0.00 H -ATOM 3030 C SER 201 22.242 13.471 -22.053 1.00 0.00 C -ATOM 3031 O SER 201 21.381 12.640 -22.116 1.00 0.00 O -ATOM 3032 N ASN 202 23.501 13.144 -21.776 1.00 0.00 N -ATOM 3033 H ASN 202 24.132 13.913 -21.602 1.00 0.00 H -ATOM 3034 CA ASN 202 24.071 11.782 -21.501 1.00 0.00 C -ATOM 3035 HA ASN 202 25.137 12.002 -21.449 1.00 0.00 H -ATOM 3036 CB ASN 202 23.665 11.244 -20.114 1.00 0.00 C -ATOM 3037 HB2 ASN 202 23.599 12.082 -19.420 1.00 0.00 H -ATOM 3038 HB3 ASN 202 22.711 10.739 -20.266 1.00 0.00 H -ATOM 3039 CG ASN 202 24.733 10.275 -19.694 1.00 0.00 C -ATOM 3040 OD1 ASN 202 25.903 10.512 -19.704 1.00 0.00 O -ATOM 3041 ND2 ASN 202 24.341 9.088 -19.241 1.00 0.00 N -ATOM 3042 HD21 ASN 202 25.060 8.417 -19.012 1.00 0.00 H -ATOM 3043 HD22 ASN 202 23.374 8.820 -19.123 1.00 0.00 H -ATOM 3044 C ASN 202 23.922 10.795 -22.606 1.00 0.00 C -ATOM 3045 O ASN 202 24.515 9.708 -22.517 1.00 0.00 O -ATOM 3046 N PHE 203 23.192 11.125 -23.728 1.00 0.00 N -ATOM 3047 H PHE 203 22.632 11.961 -23.635 1.00 0.00 H -ATOM 3048 CA PHE 203 23.077 10.325 -24.976 1.00 0.00 C -ATOM 3049 HA PHE 203 23.407 9.344 -24.637 1.00 0.00 H -ATOM 3050 CB PHE 203 21.618 10.182 -25.349 1.00 0.00 C -ATOM 3051 HB2 PHE 203 21.256 11.207 -25.283 1.00 0.00 H -ATOM 3052 HB3 PHE 203 21.510 9.852 -26.382 1.00 0.00 H -ATOM 3053 CG PHE 203 20.878 9.155 -24.430 1.00 0.00 C -ATOM 3054 CD1 PHE 203 20.817 7.800 -24.836 1.00 0.00 C -ATOM 3055 HD1 PHE 203 21.208 7.393 -25.757 1.00 0.00 H -ATOM 3056 CE1 PHE 203 20.196 6.915 -23.930 1.00 0.00 C -ATOM 3057 HE1 PHE 203 20.134 5.866 -24.178 1.00 0.00 H -ATOM 3058 CZ PHE 203 19.601 7.394 -22.711 1.00 0.00 C -ATOM 3059 HZ PHE 203 19.156 6.673 -22.041 1.00 0.00 H -ATOM 3060 CE2 PHE 203 19.620 8.728 -22.399 1.00 0.00 C -ATOM 3061 HE2 PHE 203 19.301 9.052 -21.420 1.00 0.00 H -ATOM 3062 CD2 PHE 203 20.249 9.600 -23.306 1.00 0.00 C -ATOM 3063 HD2 PHE 203 20.287 10.653 -23.070 1.00 0.00 H -ATOM 3064 C PHE 203 24.043 10.717 -26.080 1.00 0.00 C -ATOM 3065 O PHE 203 23.986 10.194 -27.181 1.00 0.00 O -ATOM 3066 N LYS 204 24.866 11.730 -25.840 1.00 0.00 N -ATOM 3067 H LYS 204 25.005 12.104 -24.912 1.00 0.00 H -ATOM 3068 CA LYS 204 25.441 12.510 -26.924 1.00 0.00 C -ATOM 3069 HA LYS 204 24.628 12.863 -27.559 1.00 0.00 H -ATOM 3070 CB LYS 204 25.904 13.857 -26.304 1.00 0.00 C -ATOM 3071 HB2 LYS 204 26.598 13.702 -25.478 1.00 0.00 H -ATOM 3072 HB3 LYS 204 26.522 14.425 -26.999 1.00 0.00 H -ATOM 3073 CG LYS 204 24.861 14.781 -25.765 1.00 0.00 C -ATOM 3074 HG2 LYS 204 23.939 14.960 -26.318 1.00 0.00 H -ATOM 3075 HG3 LYS 204 24.506 14.331 -24.838 1.00 0.00 H -ATOM 3076 CD LYS 204 25.410 16.185 -25.612 1.00 0.00 C -ATOM 3077 HD2 LYS 204 26.333 16.299 -25.043 1.00 0.00 H -ATOM 3078 HD3 LYS 204 25.694 16.549 -26.600 1.00 0.00 H -ATOM 3079 CE LYS 204 24.394 16.974 -24.762 1.00 0.00 C -ATOM 3080 HE2 LYS 204 23.413 16.963 -25.237 1.00 0.00 H -ATOM 3081 HE3 LYS 204 24.287 16.519 -23.778 1.00 0.00 H -ATOM 3082 NZ LYS 204 24.854 18.409 -24.600 1.00 0.00 N -ATOM 3083 HZ1 LYS 204 24.081 18.951 -24.242 1.00 0.00 H -ATOM 3084 HZ2 LYS 204 25.630 18.476 -23.956 1.00 0.00 H -ATOM 3085 HZ3 LYS 204 25.056 18.888 -25.466 1.00 0.00 H -ATOM 3086 C LYS 204 26.508 11.824 -27.765 1.00 0.00 C -ATOM 3087 O LYS 204 26.445 11.935 -28.992 1.00 0.00 O -ATOM 3088 N LYS 205 27.392 11.009 -27.132 1.00 0.00 N -ATOM 3089 H LYS 205 27.264 10.975 -26.131 1.00 0.00 H -ATOM 3090 CA LYS 205 28.363 10.129 -27.831 1.00 0.00 C -ATOM 3091 HA LYS 205 28.707 10.578 -28.763 1.00 0.00 H -ATOM 3092 CB LYS 205 29.564 9.931 -26.886 1.00 0.00 C -ATOM 3093 HB2 LYS 205 30.076 10.858 -26.626 1.00 0.00 H -ATOM 3094 HB3 LYS 205 29.140 9.467 -25.995 1.00 0.00 H -ATOM 3095 CG LYS 205 30.671 9.064 -27.440 1.00 0.00 C -ATOM 3096 HG2 LYS 205 31.437 8.921 -26.679 1.00 0.00 H -ATOM 3097 HG3 LYS 205 30.337 8.091 -27.799 1.00 0.00 H -ATOM 3098 CD LYS 205 31.563 9.637 -28.528 1.00 0.00 C -ATOM 3099 HD2 LYS 205 30.855 9.888 -29.318 1.00 0.00 H -ATOM 3100 HD3 LYS 205 31.932 10.639 -28.309 1.00 0.00 H -ATOM 3101 CE LYS 205 32.653 8.694 -28.864 1.00 0.00 C -ATOM 3102 HE2 LYS 205 33.184 8.542 -27.924 1.00 0.00 H -ATOM 3103 HE3 LYS 205 32.254 7.725 -29.166 1.00 0.00 H -ATOM 3104 NZ LYS 205 33.625 9.268 -29.868 1.00 0.00 N -ATOM 3105 HZ1 LYS 205 34.189 9.999 -29.458 1.00 0.00 H -ATOM 3106 HZ2 LYS 205 34.208 8.536 -30.247 1.00 0.00 H -ATOM 3107 HZ3 LYS 205 33.146 9.655 -30.669 1.00 0.00 H -ATOM 3108 C LYS 205 27.721 8.823 -28.374 1.00 0.00 C -ATOM 3109 O LYS 205 28.082 8.387 -29.451 1.00 0.00 O -ATOM 3110 N MET 206 26.720 8.260 -27.691 1.00 0.00 N -ATOM 3111 H MET 206 26.591 8.727 -26.805 1.00 0.00 H -ATOM 3112 CA MET 206 25.939 7.055 -27.955 1.00 0.00 C -ATOM 3113 HA MET 206 26.509 6.131 -28.048 1.00 0.00 H -ATOM 3114 CB MET 206 24.931 6.867 -26.770 1.00 0.00 C -ATOM 3115 HB2 MET 206 25.632 6.826 -25.937 1.00 0.00 H -ATOM 3116 HB3 MET 206 24.237 7.705 -26.694 1.00 0.00 H -ATOM 3117 CG MET 206 24.097 5.563 -26.921 1.00 0.00 C -ATOM 3118 HG2 MET 206 23.462 5.573 -27.807 1.00 0.00 H -ATOM 3119 HG3 MET 206 24.757 4.699 -26.991 1.00 0.00 H -ATOM 3120 SD MET 206 22.986 5.216 -25.558 1.00 0.00 S -ATOM 3121 CE MET 206 21.650 4.263 -26.395 1.00 0.00 C -ATOM 3122 HE1 MET 206 20.942 3.881 -25.659 1.00 0.00 H -ATOM 3123 HE2 MET 206 21.040 4.831 -27.097 1.00 0.00 H -ATOM 3124 HE3 MET 206 22.203 3.474 -26.905 1.00 0.00 H -ATOM 3125 C MET 206 25.206 7.204 -29.317 1.00 0.00 C -ATOM 3126 O MET 206 25.231 6.269 -30.100 1.00 0.00 O -ATOM 3127 N LEU 207 24.603 8.345 -29.692 1.00 0.00 N -ATOM 3128 H LEU 207 24.757 9.045 -28.981 1.00 0.00 H -ATOM 3129 CA LEU 207 24.060 8.844 -30.951 1.00 0.00 C -ATOM 3130 HA LEU 207 23.204 8.240 -31.251 1.00 0.00 H -ATOM 3131 CB LEU 207 23.600 10.318 -30.636 1.00 0.00 C -ATOM 3132 HB2 LEU 207 22.859 10.235 -29.841 1.00 0.00 H -ATOM 3133 HB3 LEU 207 24.537 10.785 -30.334 1.00 0.00 H -ATOM 3134 CG LEU 207 22.867 11.023 -31.776 1.00 0.00 C -ATOM 3135 HG LEU 207 23.474 11.033 -32.681 1.00 0.00 H -ATOM 3136 CD1 LEU 207 21.499 10.373 -32.085 1.00 0.00 C -ATOM 3137 HD11 LEU 207 20.914 10.955 -32.797 1.00 0.00 H -ATOM 3138 HD12 LEU 207 21.651 9.340 -32.399 1.00 0.00 H -ATOM 3139 HD13 LEU 207 21.066 10.294 -31.088 1.00 0.00 H -ATOM 3140 CD2 LEU 207 22.714 12.447 -31.294 1.00 0.00 C -ATOM 3141 HD21 LEU 207 23.671 12.964 -31.225 1.00 0.00 H -ATOM 3142 HD22 LEU 207 22.169 13.009 -32.053 1.00 0.00 H -ATOM 3143 HD23 LEU 207 22.187 12.445 -30.340 1.00 0.00 H -ATOM 3144 C LEU 207 25.058 8.778 -32.115 1.00 0.00 C -ATOM 3145 O LEU 207 24.652 8.786 -33.282 1.00 0.00 O -ATOM 3146 N ASP 208 26.415 8.530 -31.840 1.00 0.00 N -ATOM 3147 H ASP 208 26.680 8.399 -30.874 1.00 0.00 H -ATOM 3148 CA ASP 208 27.407 8.362 -32.954 1.00 0.00 C -ATOM 3149 HA ASP 208 26.886 8.297 -33.909 1.00 0.00 H -ATOM 3150 CB ASP 208 28.432 9.524 -32.919 1.00 0.00 C -ATOM 3151 HB2 ASP 208 27.935 10.467 -32.692 1.00 0.00 H -ATOM 3152 HB3 ASP 208 29.130 9.383 -32.093 1.00 0.00 H -ATOM 3153 CG ASP 208 29.298 9.666 -34.237 1.00 0.00 C -ATOM 3154 OD1 ASP 208 28.731 10.098 -35.272 1.00 0.00 O -ATOM 3155 OD2 ASP 208 30.530 9.330 -34.184 1.00 0.00 O -ATOM 3156 C ASP 208 28.221 6.998 -32.773 1.00 0.00 C -ATOM 3157 O ASP 208 28.589 6.497 -33.853 1.00 0.00 O -ATOM 3158 N TYR 209 28.524 6.553 -31.527 1.00 0.00 N -ATOM 3159 H TYR 209 28.377 7.201 -30.766 1.00 0.00 H -ATOM 3160 CA TYR 209 29.044 5.263 -31.207 1.00 0.00 C -ATOM 3161 HA TYR 209 29.939 5.028 -31.783 1.00 0.00 H -ATOM 3162 CB TYR 209 29.473 5.240 -29.638 1.00 0.00 C -ATOM 3163 HB2 TYR 209 29.577 6.280 -29.328 1.00 0.00 H -ATOM 3164 HB3 TYR 209 28.687 4.731 -29.080 1.00 0.00 H -ATOM 3165 CG TYR 209 30.780 4.548 -29.414 1.00 0.00 C -ATOM 3166 CD1 TYR 209 30.756 3.447 -28.585 1.00 0.00 C -ATOM 3167 HD1 TYR 209 29.890 3.125 -28.025 1.00 0.00 H -ATOM 3168 CE1 TYR 209 32.007 2.768 -28.425 1.00 0.00 C -ATOM 3169 HE1 TYR 209 32.095 1.867 -27.835 1.00 0.00 H -ATOM 3170 CZ TYR 209 33.160 3.193 -29.155 1.00 0.00 C -ATOM 3171 OH TYR 209 34.400 2.648 -28.817 1.00 0.00 O -ATOM 3172 HH TYR 209 34.481 2.017 -28.099 1.00 0.00 H -ATOM 3173 CE2 TYR 209 33.109 4.315 -30.022 1.00 0.00 C -ATOM 3174 HE2 TYR 209 33.982 4.538 -30.618 1.00 0.00 H -ATOM 3175 CD2 TYR 209 31.888 4.933 -30.208 1.00 0.00 C -ATOM 3176 HD2 TYR 209 31.714 5.802 -30.826 1.00 0.00 H -ATOM 3177 C TYR 209 28.119 4.083 -31.526 1.00 0.00 C -ATOM 3178 O TYR 209 28.599 3.041 -31.928 1.00 0.00 O -ATOM 3179 N ASN 210 26.799 4.179 -31.505 1.00 0.00 N -ATOM 3180 H ASN 210 26.411 5.067 -31.221 1.00 0.00 H -ATOM 3181 CA ASN 210 25.907 3.126 -31.929 1.00 0.00 C -ATOM 3182 HA ASN 210 26.164 2.159 -31.495 1.00 0.00 H -ATOM 3183 CB ASN 210 24.463 3.415 -31.590 1.00 0.00 C -ATOM 3184 HB2 ASN 210 24.394 3.404 -30.503 1.00 0.00 H -ATOM 3185 HB3 ASN 210 24.339 4.458 -31.883 1.00 0.00 H -ATOM 3186 CG ASN 210 23.534 2.332 -32.160 1.00 0.00 C -ATOM 3187 OD1 ASN 210 23.158 1.403 -31.466 1.00 0.00 O -ATOM 3188 ND2 ASN 210 23.083 2.519 -33.362 1.00 0.00 N -ATOM 3189 HD21 ASN 210 22.288 1.913 -33.508 1.00 0.00 H -ATOM 3190 HD22 ASN 210 23.371 3.147 -34.099 1.00 0.00 H -ATOM 3191 C ASN 210 26.252 2.879 -33.341 1.00 0.00 C -ATOM 3192 O ASN 210 26.529 1.760 -33.667 1.00 0.00 O -ATOM 3193 N ALA 211 26.507 3.908 -34.193 1.00 0.00 N -ATOM 3194 H ALA 211 26.273 4.817 -33.819 1.00 0.00 H -ATOM 3195 CA ALA 211 27.035 3.798 -35.570 1.00 0.00 C -ATOM 3196 HA ALA 211 26.312 3.062 -35.921 1.00 0.00 H -ATOM 3197 CB ALA 211 26.796 5.063 -36.367 1.00 0.00 C -ATOM 3198 HB1 ALA 211 27.313 5.932 -35.962 1.00 0.00 H -ATOM 3199 HB2 ALA 211 27.064 4.929 -37.415 1.00 0.00 H -ATOM 3200 HB3 ALA 211 25.737 5.314 -36.438 1.00 0.00 H -ATOM 3201 C ALA 211 28.481 3.309 -35.672 1.00 0.00 C -ATOM 3202 O ALA 211 29.137 3.373 -36.743 1.00 0.00 O -ATOM 3203 N MET 212 29.082 2.723 -34.606 1.00 0.00 N -ATOM 3204 H MET 212 28.697 2.923 -33.694 1.00 0.00 H -ATOM 3205 CA MET 212 30.479 2.284 -34.515 1.00 0.00 C -ATOM 3206 HA MET 212 30.943 2.189 -35.497 1.00 0.00 H -ATOM 3207 CB MET 212 31.319 3.326 -33.745 1.00 0.00 C -ATOM 3208 HB2 MET 212 31.049 4.282 -34.193 1.00 0.00 H -ATOM 3209 HB3 MET 212 31.102 3.101 -32.700 1.00 0.00 H -ATOM 3210 CG MET 212 32.794 3.202 -33.974 1.00 0.00 C -ATOM 3211 HG2 MET 212 33.192 2.202 -33.798 1.00 0.00 H -ATOM 3212 HG3 MET 212 32.922 3.409 -35.036 1.00 0.00 H -ATOM 3213 SD MET 212 33.954 4.269 -33.035 1.00 0.00 S -ATOM 3214 CE MET 212 35.147 4.506 -34.336 1.00 0.00 C -ATOM 3215 HE1 MET 212 35.575 3.561 -34.671 1.00 0.00 H -ATOM 3216 HE2 MET 212 34.762 5.014 -35.221 1.00 0.00 H -ATOM 3217 HE3 MET 212 35.949 5.100 -33.898 1.00 0.00 H -ATOM 3218 C MET 212 30.690 0.891 -33.798 1.00 0.00 C -ATOM 3219 O MET 212 31.499 0.041 -34.128 1.00 0.00 O -ATOM 3220 N VAL 213 29.751 0.511 -32.891 1.00 0.00 N -ATOM 3221 H VAL 213 29.081 1.228 -32.651 1.00 0.00 H -ATOM 3222 CA VAL 213 29.706 -0.749 -32.192 1.00 0.00 C -ATOM 3223 HA VAL 213 30.673 -1.250 -32.152 1.00 0.00 H -ATOM 3224 CB VAL 213 29.253 -0.560 -30.744 1.00 0.00 C -ATOM 3225 HB VAL 213 29.191 -1.568 -30.333 1.00 0.00 H -ATOM 3226 CG1 VAL 213 30.246 0.268 -29.991 1.00 0.00 C -ATOM 3227 HG11 VAL 213 30.341 1.305 -30.315 1.00 0.00 H -ATOM 3228 HG12 VAL 213 29.973 0.215 -28.937 1.00 0.00 H -ATOM 3229 HG13 VAL 213 31.246 -0.117 -30.193 1.00 0.00 H -ATOM 3230 CG2 VAL 213 27.868 0.050 -30.536 1.00 0.00 C -ATOM 3231 HG21 VAL 213 27.179 -0.105 -31.366 1.00 0.00 H -ATOM 3232 HG22 VAL 213 27.506 -0.258 -29.555 1.00 0.00 H -ATOM 3233 HG23 VAL 213 27.958 1.136 -30.516 1.00 0.00 H -ATOM 3234 C VAL 213 28.742 -1.765 -32.937 1.00 0.00 C -ATOM 3235 O VAL 213 28.657 -2.897 -32.471 1.00 0.00 O -ATOM 3236 N SER 214 28.038 -1.335 -33.972 1.00 0.00 N -ATOM 3237 H SER 214 28.312 -0.434 -34.338 1.00 0.00 H -ATOM 3238 CA SER 214 27.028 -2.074 -34.741 1.00 0.00 C -ATOM 3239 HA SER 214 26.409 -2.665 -34.066 1.00 0.00 H -ATOM 3240 CB SER 214 26.180 -0.961 -35.439 1.00 0.00 C -ATOM 3241 HB2 SER 214 25.328 -1.460 -35.901 1.00 0.00 H -ATOM 3242 HB3 SER 214 25.714 -0.466 -34.587 1.00 0.00 H -ATOM 3243 OG SER 214 26.923 -0.205 -36.340 1.00 0.00 O -ATOM 3244 HG SER 214 26.354 0.511 -36.631 1.00 0.00 H -ATOM 3245 C SER 214 27.700 -2.866 -35.916 1.00 0.00 C -ATOM 3246 O SER 214 28.931 -2.845 -36.117 1.00 0.00 O -ATOM 3247 N PRO 215 26.937 -3.551 -36.763 1.00 0.00 N -ATOM 3248 CD PRO 215 25.569 -3.962 -36.520 1.00 0.00 C -ATOM 3249 HD2 PRO 215 24.801 -3.489 -37.134 1.00 0.00 H -ATOM 3250 HD3 PRO 215 25.287 -3.909 -35.469 1.00 0.00 H -ATOM 3251 CG PRO 215 25.553 -5.381 -37.086 1.00 0.00 C -ATOM 3252 HG2 PRO 215 24.556 -5.615 -37.460 1.00 0.00 H -ATOM 3253 HG3 PRO 215 25.788 -6.193 -36.398 1.00 0.00 H -ATOM 3254 CB PRO 215 26.536 -5.466 -38.249 1.00 0.00 C -ATOM 3255 HB2 PRO 215 25.994 -5.164 -39.145 1.00 0.00 H -ATOM 3256 HB3 PRO 215 26.958 -6.469 -38.317 1.00 0.00 H -ATOM 3257 CA PRO 215 27.532 -4.393 -37.798 1.00 0.00 C -ATOM 3258 HA PRO 215 28.418 -4.932 -37.463 1.00 0.00 H -ATOM 3259 C PRO 215 27.891 -3.552 -39.038 1.00 0.00 C -ATOM 3260 O PRO 215 29.053 -3.643 -39.478 1.00 0.00 O -ATOM 3261 N LEU 216 26.996 -2.698 -39.525 1.00 0.00 N -ATOM 3262 H LEU 216 26.048 -2.729 -39.178 1.00 0.00 H -ATOM 3263 CA LEU 216 27.304 -1.917 -40.753 1.00 0.00 C -ATOM 3264 HA LEU 216 27.915 -2.467 -41.469 1.00 0.00 H -ATOM 3265 CB LEU 216 26.016 -1.681 -41.471 1.00 0.00 C -ATOM 3266 HB2 LEU 216 25.627 -2.699 -41.499 1.00 0.00 H -ATOM 3267 HB3 LEU 216 25.359 -1.073 -40.851 1.00 0.00 H -ATOM 3268 CG LEU 216 26.150 -1.015 -42.855 1.00 0.00 C -ATOM 3269 HG LEU 216 26.545 -0.014 -42.682 1.00 0.00 H -ATOM 3270 CD1 LEU 216 26.761 -1.800 -44.063 1.00 0.00 C -ATOM 3271 HD11 LEU 216 26.101 -2.517 -44.549 1.00 0.00 H -ATOM 3272 HD12 LEU 216 26.922 -1.041 -44.828 1.00 0.00 H -ATOM 3273 HD13 LEU 216 27.767 -2.125 -43.795 1.00 0.00 H -ATOM 3274 CD2 LEU 216 24.662 -0.793 -43.236 1.00 0.00 C -ATOM 3275 HD21 LEU 216 24.157 -1.702 -43.564 1.00 0.00 H -ATOM 3276 HD22 LEU 216 24.044 -0.257 -42.515 1.00 0.00 H -ATOM 3277 HD23 LEU 216 24.652 -0.184 -44.140 1.00 0.00 H -ATOM 3278 C LEU 216 28.067 -0.629 -40.500 1.00 0.00 C -ATOM 3279 O LEU 216 28.835 -0.278 -41.378 1.00 0.00 O -ATOM 3280 N LYS 217 27.982 -0.055 -39.302 1.00 0.00 N -ATOM 3281 H LYS 217 27.280 -0.442 -38.689 1.00 0.00 H -ATOM 3282 CA LYS 217 28.866 0.989 -38.766 1.00 0.00 C -ATOM 3283 HA LYS 217 28.611 1.142 -37.718 1.00 0.00 H -ATOM 3284 CB LYS 217 30.377 0.596 -38.749 1.00 0.00 C -ATOM 3285 HB2 LYS 217 30.693 0.317 -39.754 1.00 0.00 H -ATOM 3286 HB3 LYS 217 30.972 1.429 -38.377 1.00 0.00 H -ATOM 3287 CG LYS 217 30.542 -0.657 -37.907 1.00 0.00 C -ATOM 3288 HG2 LYS 217 30.330 -0.301 -36.899 1.00 0.00 H -ATOM 3289 HG3 LYS 217 29.863 -1.480 -38.127 1.00 0.00 H -ATOM 3290 CD LYS 217 32.003 -1.174 -38.076 1.00 0.00 C -ATOM 3291 HD2 LYS 217 32.132 -1.566 -39.085 1.00 0.00 H -ATOM 3292 HD3 LYS 217 32.801 -0.450 -37.913 1.00 0.00 H -ATOM 3293 CE LYS 217 32.162 -2.236 -37.028 1.00 0.00 C -ATOM 3294 HE2 LYS 217 33.220 -2.399 -36.823 1.00 0.00 H -ATOM 3295 HE3 LYS 217 31.717 -1.828 -36.120 1.00 0.00 H -ATOM 3296 NZ LYS 217 31.409 -3.467 -37.271 1.00 0.00 N -ATOM 3297 HZ1 LYS 217 31.662 -3.794 -38.192 1.00 0.00 H -ATOM 3298 HZ2 LYS 217 31.591 -4.218 -36.620 1.00 0.00 H -ATOM 3299 HZ3 LYS 217 30.416 -3.297 -37.201 1.00 0.00 H -ATOM 3300 C LYS 217 28.647 2.299 -39.541 1.00 0.00 C -ATOM 3301 O LYS 217 29.568 3.068 -39.951 1.00 0.00 O -ATOM 3302 N LYS 218 27.348 2.598 -39.845 1.00 0.00 N -ATOM 3303 H LYS 218 26.649 2.097 -39.316 1.00 0.00 H -ATOM 3304 CA LYS 218 26.959 3.839 -40.511 1.00 0.00 C -ATOM 3305 HA LYS 218 27.715 4.616 -40.396 1.00 0.00 H -ATOM 3306 CB LYS 218 26.688 3.555 -41.954 1.00 0.00 C -ATOM 3307 HB2 LYS 218 25.993 2.715 -41.983 1.00 0.00 H -ATOM 3308 HB3 LYS 218 26.114 4.380 -42.375 1.00 0.00 H -ATOM 3309 CG LYS 218 27.816 3.109 -42.931 1.00 0.00 C -ATOM 3310 HG2 LYS 218 28.681 3.771 -42.885 1.00 0.00 H -ATOM 3311 HG3 LYS 218 28.054 2.086 -42.639 1.00 0.00 H -ATOM 3312 CD LYS 218 27.401 3.103 -44.376 1.00 0.00 C -ATOM 3313 HD2 LYS 218 26.436 2.627 -44.548 1.00 0.00 H -ATOM 3314 HD3 LYS 218 27.210 4.141 -44.650 1.00 0.00 H -ATOM 3315 CE LYS 218 28.431 2.547 -45.333 1.00 0.00 C -ATOM 3316 HE2 LYS 218 29.439 2.890 -45.100 1.00 0.00 H -ATOM 3317 HE3 LYS 218 28.364 1.488 -45.085 1.00 0.00 H -ATOM 3318 NZ LYS 218 27.918 2.706 -46.724 1.00 0.00 N -ATOM 3319 HZ1 LYS 218 27.906 3.661 -47.052 1.00 0.00 H -ATOM 3320 HZ2 LYS 218 28.531 2.278 -47.402 1.00 0.00 H -ATOM 3321 HZ3 LYS 218 27.010 2.284 -46.857 1.00 0.00 H -ATOM 3322 C LYS 218 25.686 4.460 -39.796 1.00 0.00 C -ATOM 3323 O LYS 218 24.909 3.700 -39.100 1.00 0.00 O -ATOM 3324 N ASN 219 25.483 5.693 -39.943 1.00 0.00 N -ATOM 3325 H ASN 219 26.143 6.211 -40.505 1.00 0.00 H -ATOM 3326 CA ASN 219 24.306 6.479 -39.492 1.00 0.00 C -ATOM 3327 HA ASN 219 24.150 6.230 -38.442 1.00 0.00 H -ATOM 3328 CB ASN 219 24.709 7.960 -39.503 1.00 0.00 C -ATOM 3329 HB2 ASN 219 25.467 8.209 -38.760 1.00 0.00 H -ATOM 3330 HB3 ASN 219 25.233 8.235 -40.418 1.00 0.00 H -ATOM 3331 CG ASN 219 23.554 8.960 -39.300 1.00 0.00 C -ATOM 3332 OD1 ASN 219 23.237 9.652 -40.253 1.00 0.00 O -ATOM 3333 ND2 ASN 219 23.143 9.043 -38.091 1.00 0.00 N -ATOM 3334 HD21 ASN 219 22.360 9.657 -37.919 1.00 0.00 H -ATOM 3335 HD22 ASN 219 23.526 8.481 -37.345 1.00 0.00 H -ATOM 3336 C ASN 219 23.025 6.192 -40.372 1.00 0.00 C -ATOM 3337 O ASN 219 23.023 6.332 -41.585 1.00 0.00 O -ATOM 3338 N VAL 220 21.895 6.032 -39.725 1.00 0.00 N -ATOM 3339 H VAL 220 21.704 6.101 -38.735 1.00 0.00 H -ATOM 3340 CA VAL 220 20.536 6.000 -40.453 1.00 0.00 C -ATOM 3341 HA VAL 220 20.724 5.627 -41.459 1.00 0.00 H -ATOM 3342 CB VAL 220 19.574 4.942 -39.866 1.00 0.00 C -ATOM 3343 HB VAL 220 19.637 5.139 -38.795 1.00 0.00 H -ATOM 3344 CG1 VAL 220 18.064 4.984 -40.304 1.00 0.00 C -ATOM 3345 HG11 VAL 220 17.584 5.932 -40.066 1.00 0.00 H -ATOM 3346 HG12 VAL 220 18.011 4.892 -41.389 1.00 0.00 H -ATOM 3347 HG13 VAL 220 17.579 4.249 -39.662 1.00 0.00 H -ATOM 3348 CG2 VAL 220 20.108 3.529 -40.092 1.00 0.00 C -ATOM 3349 HG21 VAL 220 21.158 3.429 -39.818 1.00 0.00 H -ATOM 3350 HG22 VAL 220 19.477 2.811 -39.567 1.00 0.00 H -ATOM 3351 HG23 VAL 220 20.059 3.246 -41.143 1.00 0.00 H -ATOM 3352 C VAL 220 19.907 7.302 -40.489 1.00 0.00 C -ATOM 3353 O VAL 220 20.025 8.006 -39.458 1.00 0.00 O -ATOM 3354 N ASP 221 19.328 7.768 -41.624 1.00 0.00 N -ATOM 3355 H ASP 221 19.219 7.195 -42.448 1.00 0.00 H -ATOM 3356 CA ASP 221 19.086 9.218 -41.822 1.00 0.00 C -ATOM 3357 HA ASP 221 19.488 9.842 -41.023 1.00 0.00 H -ATOM 3358 CB ASP 221 19.944 9.569 -43.069 1.00 0.00 C -ATOM 3359 HB2 ASP 221 20.992 9.292 -42.962 1.00 0.00 H -ATOM 3360 HB3 ASP 221 19.476 9.133 -43.951 1.00 0.00 H -ATOM 3361 CG ASP 221 20.029 11.090 -43.195 1.00 0.00 C -ATOM 3362 OD1 ASP 221 20.668 11.862 -42.447 1.00 0.00 O -ATOM 3363 OD2 ASP 221 19.334 11.617 -44.104 1.00 0.00 O -ATOM 3364 C ASP 221 17.571 9.546 -41.887 1.00 0.00 C -ATOM 3365 O ASP 221 16.736 8.707 -42.323 1.00 0.00 O -ATOM 3366 N ILE 222 17.315 10.865 -41.751 1.00 0.00 N -ATOM 3367 H ILE 222 18.106 11.489 -41.680 1.00 0.00 H -ATOM 3368 CA ILE 222 16.021 11.421 -42.088 1.00 0.00 C -ATOM 3369 HA ILE 222 15.256 10.925 -41.490 1.00 0.00 H -ATOM 3370 CB ILE 222 16.030 12.990 -41.846 1.00 0.00 C -ATOM 3371 HB ILE 222 15.042 13.370 -42.109 1.00 0.00 H -ATOM 3372 CG2 ILE 222 16.178 13.189 -40.265 1.00 0.00 C -ATOM 3373 HG21 ILE 222 15.962 14.215 -39.968 1.00 0.00 H -ATOM 3374 HG22 ILE 222 15.501 12.665 -39.591 1.00 0.00 H -ATOM 3375 HG23 ILE 222 17.181 12.846 -40.012 1.00 0.00 H -ATOM 3376 CG1 ILE 222 17.187 13.802 -42.588 1.00 0.00 C -ATOM 3377 HG12 ILE 222 18.128 13.304 -42.356 1.00 0.00 H -ATOM 3378 HG13 ILE 222 17.112 13.590 -43.655 1.00 0.00 H -ATOM 3379 CD1 ILE 222 17.088 15.275 -42.333 1.00 0.00 C -ATOM 3380 HD11 ILE 222 17.710 15.846 -43.023 1.00 0.00 H -ATOM 3381 HD12 ILE 222 16.089 15.633 -42.583 1.00 0.00 H -ATOM 3382 HD13 ILE 222 17.296 15.506 -41.288 1.00 0.00 H -ATOM 3383 C ILE 222 15.589 11.197 -43.532 1.00 0.00 C -ATOM 3384 O ILE 222 14.389 10.943 -43.820 1.00 0.00 O -ATOM 3385 N MET 223 16.555 11.199 -44.443 1.00 0.00 N -ATOM 3386 H MET 223 17.497 11.417 -44.150 1.00 0.00 H -ATOM 3387 CA MET 223 16.259 10.742 -45.821 1.00 0.00 C -ATOM 3388 HA MET 223 15.327 11.251 -46.068 1.00 0.00 H -ATOM 3389 CB MET 223 17.380 11.247 -46.807 1.00 0.00 C -ATOM 3390 HB2 MET 223 18.235 10.924 -46.213 1.00 0.00 H -ATOM 3391 HB3 MET 223 17.436 10.798 -47.798 1.00 0.00 H -ATOM 3392 CG MET 223 17.214 12.769 -46.975 1.00 0.00 C -ATOM 3393 HG2 MET 223 17.366 13.329 -46.053 1.00 0.00 H -ATOM 3394 HG3 MET 223 17.877 13.157 -47.748 1.00 0.00 H -ATOM 3395 SD MET 223 15.609 13.349 -47.524 1.00 0.00 S -ATOM 3396 CE MET 223 15.747 12.911 -49.229 1.00 0.00 C -ATOM 3397 HE1 MET 223 15.547 11.840 -49.260 1.00 0.00 H -ATOM 3398 HE2 MET 223 14.960 13.454 -49.753 1.00 0.00 H -ATOM 3399 HE3 MET 223 16.618 13.188 -49.823 1.00 0.00 H -ATOM 3400 C MET 223 16.026 9.232 -46.028 1.00 0.00 C -ATOM 3401 O MET 223 15.289 8.849 -46.915 1.00 0.00 O -ATOM 3402 N GLU 224 16.591 8.420 -45.163 1.00 0.00 N -ATOM 3403 H GLU 224 16.864 8.895 -44.314 1.00 0.00 H -ATOM 3404 CA GLU 224 16.502 6.929 -45.313 1.00 0.00 C -ATOM 3405 HA GLU 224 16.486 6.771 -46.391 1.00 0.00 H -ATOM 3406 CB GLU 224 17.705 6.228 -44.713 1.00 0.00 C -ATOM 3407 HB2 GLU 224 18.553 6.649 -45.253 1.00 0.00 H -ATOM 3408 HB3 GLU 224 17.815 6.661 -43.718 1.00 0.00 H -ATOM 3409 CG GLU 224 17.740 4.680 -44.635 1.00 0.00 C -ATOM 3410 HG2 GLU 224 17.103 4.326 -43.825 1.00 0.00 H -ATOM 3411 HG3 GLU 224 17.281 4.152 -45.471 1.00 0.00 H -ATOM 3412 CD GLU 224 19.133 4.165 -44.425 1.00 0.00 C -ATOM 3413 OE1 GLU 224 19.341 2.986 -44.785 1.00 0.00 O -ATOM 3414 OE2 GLU 224 20.040 4.868 -43.961 1.00 0.00 O -ATOM 3415 C GLU 224 15.231 6.393 -44.727 1.00 0.00 C -ATOM 3416 O GLU 224 14.480 5.650 -45.316 1.00 0.00 O -ATOM 3417 N VAL 225 14.914 6.928 -43.548 1.00 0.00 N -ATOM 3418 H VAL 225 15.535 7.533 -43.030 1.00 0.00 H -ATOM 3419 CA VAL 225 13.566 6.691 -43.061 1.00 0.00 C -ATOM 3420 HA VAL 225 13.399 5.617 -43.142 1.00 0.00 H -ATOM 3421 CB VAL 225 13.354 7.051 -41.615 1.00 0.00 C -ATOM 3422 HB VAL 225 12.325 6.845 -41.321 1.00 0.00 H -ATOM 3423 CG1 VAL 225 14.254 6.198 -40.715 1.00 0.00 C -ATOM 3424 HG11 VAL 225 14.248 5.155 -41.032 1.00 0.00 H -ATOM 3425 HG12 VAL 225 15.276 6.572 -40.782 1.00 0.00 H -ATOM 3426 HG13 VAL 225 13.977 6.241 -39.662 1.00 0.00 H -ATOM 3427 CG2 VAL 225 13.519 8.504 -41.278 1.00 0.00 C -ATOM 3428 HG21 VAL 225 13.180 8.552 -40.243 1.00 0.00 H -ATOM 3429 HG22 VAL 225 14.571 8.784 -41.218 1.00 0.00 H -ATOM 3430 HG23 VAL 225 12.868 9.186 -41.824 1.00 0.00 H -ATOM 3431 C VAL 225 12.515 7.357 -43.928 1.00 0.00 C -ATOM 3432 O VAL 225 11.408 6.839 -44.044 1.00 0.00 O -ATOM 3433 N GLY 226 12.783 8.583 -44.405 1.00 0.00 N -ATOM 3434 H GLY 226 13.708 8.936 -44.206 1.00 0.00 H -ATOM 3435 CA GLY 226 11.838 9.444 -45.197 1.00 0.00 C -ATOM 3436 HA2 GLY 226 10.917 9.653 -44.653 1.00 0.00 H -ATOM 3437 HA3 GLY 226 12.272 10.443 -45.243 1.00 0.00 H -ATOM 3438 C GLY 226 11.580 8.853 -46.545 1.00 0.00 C -ATOM 3439 O GLY 226 10.408 8.895 -46.960 1.00 0.00 O -ATOM 3440 N ASN 227 12.535 8.111 -47.067 1.00 0.00 N -ATOM 3441 H ASN 227 13.412 8.263 -46.590 1.00 0.00 H -ATOM 3442 CA ASN 227 12.402 7.325 -48.324 1.00 0.00 C -ATOM 3443 HA ASN 227 11.962 8.001 -49.058 1.00 0.00 H -ATOM 3444 CB ASN 227 13.796 6.929 -48.863 1.00 0.00 C -ATOM 3445 HB2 ASN 227 14.515 7.748 -48.901 1.00 0.00 H -ATOM 3446 HB3 ASN 227 14.208 6.267 -48.102 1.00 0.00 H -ATOM 3447 CG ASN 227 13.847 6.230 -50.186 1.00 0.00 C -ATOM 3448 OD1 ASN 227 13.431 6.850 -51.133 1.00 0.00 O -ATOM 3449 ND2 ASN 227 14.405 5.087 -50.254 1.00 0.00 N -ATOM 3450 HD21 ASN 227 14.717 4.795 -51.170 1.00 0.00 H -ATOM 3451 HD22 ASN 227 14.688 4.705 -49.363 1.00 0.00 H -ATOM 3452 C ASN 227 11.543 6.080 -48.152 1.00 0.00 C -ATOM 3453 O ASN 227 10.647 5.789 -48.947 1.00 0.00 O -ATOM 3454 N THR 228 11.634 5.444 -46.992 1.00 0.00 N -ATOM 3455 H THR 228 12.450 5.664 -46.438 1.00 0.00 H -ATOM 3456 CA THR 228 10.933 4.231 -46.575 1.00 0.00 C -ATOM 3457 HA THR 228 11.040 3.425 -47.301 1.00 0.00 H -ATOM 3458 CB THR 228 11.621 3.635 -45.315 1.00 0.00 C -ATOM 3459 HB THR 228 11.787 4.348 -44.507 1.00 0.00 H -ATOM 3460 CG2 THR 228 10.985 2.416 -44.616 1.00 0.00 C -ATOM 3461 HG21 THR 228 11.492 1.487 -44.875 1.00 0.00 H -ATOM 3462 HG22 THR 228 11.034 2.477 -43.529 1.00 0.00 H -ATOM 3463 HG23 THR 228 9.915 2.405 -44.826 1.00 0.00 H -ATOM 3464 OG1 THR 228 12.900 3.153 -45.699 1.00 0.00 O -ATOM 3465 HG1 THR 228 13.542 3.864 -45.642 1.00 0.00 H -ATOM 3466 C THR 228 9.420 4.500 -46.288 1.00 0.00 C -ATOM 3467 O THR 228 8.568 3.723 -46.709 1.00 0.00 O -ATOM 3468 N VAL 229 9.157 5.689 -45.765 1.00 0.00 N -ATOM 3469 H VAL 229 9.828 6.379 -45.458 1.00 0.00 H -ATOM 3470 CA VAL 229 7.780 6.148 -45.678 1.00 0.00 C -ATOM 3471 HA VAL 229 7.233 5.354 -45.170 1.00 0.00 H -ATOM 3472 CB VAL 229 7.674 7.432 -44.874 1.00 0.00 C -ATOM 3473 HB VAL 229 8.406 8.134 -45.272 1.00 0.00 H -ATOM 3474 CG1 VAL 229 6.244 7.999 -45.000 1.00 0.00 C -ATOM 3475 HG11 VAL 229 5.567 7.292 -44.521 1.00 0.00 H -ATOM 3476 HG12 VAL 229 5.987 8.958 -44.551 1.00 0.00 H -ATOM 3477 HG13 VAL 229 6.024 8.197 -46.049 1.00 0.00 H -ATOM 3478 CG2 VAL 229 8.054 7.138 -43.447 1.00 0.00 C -ATOM 3479 HG21 VAL 229 7.519 6.276 -43.049 1.00 0.00 H -ATOM 3480 HG22 VAL 229 9.098 6.870 -43.283 1.00 0.00 H -ATOM 3481 HG23 VAL 229 7.916 8.038 -42.848 1.00 0.00 H -ATOM 3482 C VAL 229 7.219 6.413 -47.087 1.00 0.00 C -ATOM 3483 O VAL 229 6.071 6.015 -47.278 1.00 0.00 O -ATOM 3484 N ALA 230 7.966 7.057 -47.969 1.00 0.00 N -ATOM 3485 H ALA 230 8.889 7.376 -47.714 1.00 0.00 H -ATOM 3486 CA ALA 230 7.554 7.303 -49.327 1.00 0.00 C -ATOM 3487 HA ALA 230 6.571 7.766 -49.248 1.00 0.00 H -ATOM 3488 CB ALA 230 8.541 8.250 -49.991 1.00 0.00 C -ATOM 3489 HB1 ALA 230 8.485 9.239 -49.536 1.00 0.00 H -ATOM 3490 HB2 ALA 230 9.555 7.864 -49.889 1.00 0.00 H -ATOM 3491 HB3 ALA 230 8.294 8.315 -51.051 1.00 0.00 H -ATOM 3492 C ALA 230 7.299 6.007 -50.132 1.00 0.00 C -ATOM 3493 O ALA 230 6.326 5.925 -50.947 1.00 0.00 O -ATOM 3494 N PHE 231 8.122 4.976 -49.870 1.00 0.00 N -ATOM 3495 H PHE 231 8.869 5.121 -49.207 1.00 0.00 H -ATOM 3496 CA PHE 231 7.988 3.637 -50.472 1.00 0.00 C -ATOM 3497 HA PHE 231 7.834 3.904 -51.517 1.00 0.00 H -ATOM 3498 CB PHE 231 9.257 2.749 -50.355 1.00 0.00 C -ATOM 3499 HB2 PHE 231 9.953 3.104 -51.115 1.00 0.00 H -ATOM 3500 HB3 PHE 231 9.705 3.138 -49.440 1.00 0.00 H -ATOM 3501 CG PHE 231 9.088 1.246 -50.389 1.00 0.00 C -ATOM 3502 CD1 PHE 231 8.593 0.556 -49.261 1.00 0.00 C -ATOM 3503 HD1 PHE 231 8.608 1.058 -48.305 1.00 0.00 H -ATOM 3504 CE1 PHE 231 8.493 -0.859 -49.316 1.00 0.00 C -ATOM 3505 HE1 PHE 231 8.222 -1.396 -48.419 1.00 0.00 H -ATOM 3506 CZ PHE 231 8.791 -1.555 -50.475 1.00 0.00 C -ATOM 3507 HZ PHE 231 8.844 -2.633 -50.495 1.00 0.00 H -ATOM 3508 CE2 PHE 231 9.170 -0.835 -51.634 1.00 0.00 C -ATOM 3509 HE2 PHE 231 9.384 -1.399 -52.530 1.00 0.00 H -ATOM 3510 CD2 PHE 231 9.403 0.528 -51.543 1.00 0.00 C -ATOM 3511 HD2 PHE 231 9.812 1.035 -52.405 1.00 0.00 H -ATOM 3512 C PHE 231 6.674 3.069 -49.893 1.00 0.00 C -ATOM 3513 O PHE 231 5.843 2.556 -50.676 1.00 0.00 O -ATOM 3514 N LEU 232 6.365 3.034 -48.595 1.00 0.00 N -ATOM 3515 H LEU 232 7.067 3.364 -47.948 1.00 0.00 H -ATOM 3516 CA LEU 232 4.995 2.680 -48.063 1.00 0.00 C -ATOM 3517 HA LEU 232 4.817 1.631 -48.302 1.00 0.00 H -ATOM 3518 CB LEU 232 5.006 2.757 -46.507 1.00 0.00 C -ATOM 3519 HB2 LEU 232 5.342 3.753 -46.219 1.00 0.00 H -ATOM 3520 HB3 LEU 232 3.954 2.749 -46.225 1.00 0.00 H -ATOM 3521 CG LEU 232 5.738 1.648 -45.887 1.00 0.00 C -ATOM 3522 HG LEU 232 6.704 1.599 -46.390 1.00 0.00 H -ATOM 3523 CD1 LEU 232 6.105 1.983 -44.420 1.00 0.00 C -ATOM 3524 HD11 LEU 232 6.711 2.887 -44.351 1.00 0.00 H -ATOM 3525 HD12 LEU 232 5.217 2.116 -43.803 1.00 0.00 H -ATOM 3526 HD13 LEU 232 6.728 1.232 -43.935 1.00 0.00 H -ATOM 3527 CD2 LEU 232 5.062 0.283 -45.924 1.00 0.00 C -ATOM 3528 HD21 LEU 232 5.567 -0.374 -45.216 1.00 0.00 H -ATOM 3529 HD22 LEU 232 4.021 0.471 -45.660 1.00 0.00 H -ATOM 3530 HD23 LEU 232 4.975 -0.124 -46.931 1.00 0.00 H -ATOM 3531 C LEU 232 3.838 3.441 -48.825 1.00 0.00 C -ATOM 3532 O LEU 232 2.688 3.088 -48.783 1.00 0.00 O -ATOM 3533 N CYS 233 4.102 4.578 -49.443 1.00 0.00 N -ATOM 3534 H CYS 233 5.062 4.886 -49.390 1.00 0.00 H -ATOM 3535 CA CYS 233 3.104 5.356 -50.233 1.00 0.00 C -ATOM 3536 HA CYS 233 2.087 4.996 -50.075 1.00 0.00 H -ATOM 3537 CB CYS 233 3.129 6.783 -49.786 1.00 0.00 C -ATOM 3538 HB2 CYS 233 4.083 7.260 -50.013 1.00 0.00 H -ATOM 3539 HB3 CYS 233 2.381 7.348 -50.342 1.00 0.00 H -ATOM 3540 SG CYS 233 2.825 6.846 -48.029 1.00 0.00 S -ATOM 3541 HG CYS 233 3.852 6.077 -47.657 1.00 0.00 H -ATOM 3542 C CYS 233 3.180 5.133 -51.780 1.00 0.00 C -ATOM 3543 O CYS 233 2.360 5.733 -52.505 1.00 0.00 O -ATOM 3544 N SER 234 4.050 4.327 -52.213 1.00 0.00 N -ATOM 3545 H SER 234 4.695 3.926 -51.548 1.00 0.00 H -ATOM 3546 CA SER 234 4.182 3.885 -53.561 1.00 0.00 C -ATOM 3547 HA SER 234 4.164 4.794 -54.161 1.00 0.00 H -ATOM 3548 CB SER 234 5.611 3.263 -53.869 1.00 0.00 C -ATOM 3549 HB2 SER 234 5.787 3.131 -54.936 1.00 0.00 H -ATOM 3550 HB3 SER 234 6.365 3.947 -53.480 1.00 0.00 H -ATOM 3551 OG SER 234 5.732 1.961 -53.236 1.00 0.00 O -ATOM 3552 HG SER 234 5.574 2.020 -52.291 1.00 0.00 H -ATOM 3553 C SER 234 3.051 3.025 -54.105 1.00 0.00 C -ATOM 3554 O SER 234 2.640 2.077 -53.436 1.00 0.00 O -ATOM 3555 N ASP 235 2.719 3.155 -55.419 1.00 0.00 N -ATOM 3556 H ASP 235 3.153 3.780 -56.084 1.00 0.00 H -ATOM 3557 CA ASP 235 1.802 2.045 -55.999 1.00 0.00 C -ATOM 3558 HA ASP 235 0.879 1.951 -55.427 1.00 0.00 H -ATOM 3559 CB ASP 235 1.368 2.492 -57.375 1.00 0.00 C -ATOM 3560 HB2 ASP 235 1.016 3.512 -57.226 1.00 0.00 H -ATOM 3561 HB3 ASP 235 2.204 2.516 -58.075 1.00 0.00 H -ATOM 3562 CG ASP 235 0.275 1.618 -57.936 1.00 0.00 C -ATOM 3563 OD1 ASP 235 -0.906 1.840 -57.752 1.00 0.00 O -ATOM 3564 OD2 ASP 235 0.660 0.809 -58.815 1.00 0.00 O -ATOM 3565 C ASP 235 2.365 0.641 -55.874 1.00 0.00 C -ATOM 3566 O ASP 235 1.563 -0.272 -55.659 1.00 0.00 O -ATOM 3567 N MET 236 3.689 0.453 -55.817 1.00 0.00 N -ATOM 3568 H MET 236 4.210 1.309 -55.944 1.00 0.00 H -ATOM 3569 CA MET 236 4.336 -0.846 -55.613 1.00 0.00 C -ATOM 3570 HA MET 236 4.008 -1.578 -56.351 1.00 0.00 H -ATOM 3571 CB MET 236 5.855 -0.637 -55.800 1.00 0.00 C -ATOM 3572 HB2 MET 236 6.290 0.308 -55.476 1.00 0.00 H -ATOM 3573 HB3 MET 236 6.437 -1.475 -55.418 1.00 0.00 H -ATOM 3574 CG MET 236 6.039 -0.803 -57.291 1.00 0.00 C -ATOM 3575 HG2 MET 236 5.676 -1.796 -57.555 1.00 0.00 H -ATOM 3576 HG3 MET 236 5.399 -0.117 -57.845 1.00 0.00 H -ATOM 3577 SD MET 236 7.819 -0.508 -57.605 1.00 0.00 S -ATOM 3578 CE MET 236 7.722 -0.738 -59.377 1.00 0.00 C -ATOM 3579 HE1 MET 236 6.783 -0.316 -59.734 1.00 0.00 H -ATOM 3580 HE2 MET 236 8.451 -0.018 -59.747 1.00 0.00 H -ATOM 3581 HE3 MET 236 7.704 -1.813 -59.557 1.00 0.00 H -ATOM 3582 C MET 236 4.107 -1.541 -54.230 1.00 0.00 C -ATOM 3583 O MET 236 4.491 -2.699 -54.062 1.00 0.00 O -ATOM 3584 N ALA 237 3.436 -0.825 -53.316 1.00 0.00 N -ATOM 3585 H ALA 237 3.135 0.118 -53.519 1.00 0.00 H -ATOM 3586 CA ALA 237 3.248 -1.274 -51.929 1.00 0.00 C -ATOM 3587 HA ALA 237 3.874 -2.149 -51.749 1.00 0.00 H -ATOM 3588 CB ALA 237 3.698 -0.139 -51.017 1.00 0.00 C -ATOM 3589 HB1 ALA 237 3.389 -0.348 -49.993 1.00 0.00 H -ATOM 3590 HB2 ALA 237 4.766 0.046 -51.128 1.00 0.00 H -ATOM 3591 HB3 ALA 237 3.210 0.795 -51.295 1.00 0.00 H -ATOM 3592 C ALA 237 1.801 -1.793 -51.697 1.00 0.00 C -ATOM 3593 O ALA 237 1.063 -1.183 -50.934 1.00 0.00 O -ATOM 3594 N THR 238 1.338 -2.771 -52.493 1.00 0.00 N -ATOM 3595 H THR 238 2.008 -3.219 -53.101 1.00 0.00 H -ATOM 3596 CA THR 238 -0.096 -3.064 -52.876 1.00 0.00 C -ATOM 3597 HA THR 238 -0.588 -2.147 -53.202 1.00 0.00 H -ATOM 3598 CB THR 238 -0.245 -3.949 -54.156 1.00 0.00 C -ATOM 3599 HB THR 238 -1.267 -3.998 -54.530 1.00 0.00 H -ATOM 3600 CG2 THR 238 0.553 -3.351 -55.309 1.00 0.00 C -ATOM 3601 HG21 THR 238 0.359 -2.285 -55.428 1.00 0.00 H -ATOM 3602 HG22 THR 238 1.621 -3.548 -55.212 1.00 0.00 H -ATOM 3603 HG23 THR 238 0.115 -3.715 -56.239 1.00 0.00 H -ATOM 3604 OG1 THR 238 0.247 -5.281 -53.963 1.00 0.00 O -ATOM 3605 HG1 THR 238 -0.030 -5.772 -54.740 1.00 0.00 H -ATOM 3606 C THR 238 -0.854 -3.753 -51.785 1.00 0.00 C -ATOM 3607 O THR 238 -1.894 -3.305 -51.312 1.00 0.00 O -ATOM 3608 N GLY 239 -0.361 -4.832 -51.314 1.00 0.00 N -ATOM 3609 H GLY 239 0.433 -5.206 -51.813 1.00 0.00 H -ATOM 3610 CA GLY 239 -1.026 -5.711 -50.346 1.00 0.00 C -ATOM 3611 HA2 GLY 239 -2.080 -5.438 -50.387 1.00 0.00 H -ATOM 3612 HA3 GLY 239 -0.919 -6.777 -50.547 1.00 0.00 H -ATOM 3613 C GLY 239 -0.438 -5.425 -48.983 1.00 0.00 C -ATOM 3614 O GLY 239 -1.021 -6.006 -48.030 1.00 0.00 O -ATOM 3615 N ILE 240 0.683 -4.742 -48.908 1.00 0.00 N -ATOM 3616 H ILE 240 1.204 -4.615 -49.764 1.00 0.00 H -ATOM 3617 CA ILE 240 1.498 -4.820 -47.702 1.00 0.00 C -ATOM 3618 HA ILE 240 1.270 -5.776 -47.231 1.00 0.00 H -ATOM 3619 CB ILE 240 3.031 -4.636 -47.978 1.00 0.00 C -ATOM 3620 HB ILE 240 3.579 -4.481 -47.049 1.00 0.00 H -ATOM 3621 CG2 ILE 240 3.480 -5.978 -48.469 1.00 0.00 C -ATOM 3622 HG21 ILE 240 3.041 -6.234 -49.434 1.00 0.00 H -ATOM 3623 HG22 ILE 240 4.546 -6.101 -48.659 1.00 0.00 H -ATOM 3624 HG23 ILE 240 3.281 -6.804 -47.785 1.00 0.00 H -ATOM 3625 CG1 ILE 240 3.384 -3.412 -48.899 1.00 0.00 C -ATOM 3626 HG12 ILE 240 3.059 -3.647 -49.912 1.00 0.00 H -ATOM 3627 HG13 ILE 240 2.873 -2.517 -48.544 1.00 0.00 H -ATOM 3628 CD1 ILE 240 4.889 -3.098 -48.842 1.00 0.00 C -ATOM 3629 HD11 ILE 240 5.355 -4.035 -49.148 1.00 0.00 H -ATOM 3630 HD12 ILE 240 5.124 -2.272 -49.512 1.00 0.00 H -ATOM 3631 HD13 ILE 240 5.288 -2.930 -47.841 1.00 0.00 H -ATOM 3632 C ILE 240 0.990 -3.826 -46.681 1.00 0.00 C -ATOM 3633 O ILE 240 0.949 -2.602 -46.872 1.00 0.00 O -ATOM 3634 N THR 241 0.356 -4.462 -45.655 1.00 0.00 N -ATOM 3635 H THR 241 0.345 -5.470 -45.588 1.00 0.00 H -ATOM 3636 CA THR 241 -0.534 -3.813 -44.687 1.00 0.00 C -ATOM 3637 HA THR 241 -0.039 -2.869 -44.463 1.00 0.00 H -ATOM 3638 CB THR 241 -1.896 -3.561 -45.275 1.00 0.00 C -ATOM 3639 HB THR 241 -1.680 -3.106 -46.242 1.00 0.00 H -ATOM 3640 CG2 THR 241 -2.785 -4.752 -45.457 1.00 0.00 C -ATOM 3641 HG21 THR 241 -2.343 -5.573 -46.023 1.00 0.00 H -ATOM 3642 HG22 THR 241 -3.176 -4.974 -44.464 1.00 0.00 H -ATOM 3643 HG23 THR 241 -3.651 -4.507 -46.071 1.00 0.00 H -ATOM 3644 OG1 THR 241 -2.585 -2.664 -44.493 1.00 0.00 O -ATOM 3645 HG1 THR 241 -3.525 -2.771 -44.655 1.00 0.00 H -ATOM 3646 C THR 241 -0.597 -4.533 -43.324 1.00 0.00 C -ATOM 3647 O THR 241 -0.653 -5.756 -43.234 1.00 0.00 O -ATOM 3648 N GLY 242 -0.720 -3.773 -42.293 1.00 0.00 N -ATOM 3649 H GLY 242 -0.641 -2.787 -42.498 1.00 0.00 H -ATOM 3650 CA GLY 242 -0.984 -4.197 -40.920 1.00 0.00 C -ATOM 3651 HA2 GLY 242 -1.574 -3.408 -40.453 1.00 0.00 H -ATOM 3652 HA3 GLY 242 -1.503 -5.154 -40.965 1.00 0.00 H -ATOM 3653 C GLY 242 0.316 -4.421 -40.150 1.00 0.00 C -ATOM 3654 O GLY 242 0.353 -5.269 -39.182 1.00 0.00 O -ATOM 3655 N GLU 243 1.386 -3.819 -40.569 1.00 0.00 N -ATOM 3656 H GLU 243 1.323 -3.172 -41.343 1.00 0.00 H -ATOM 3657 CA GLU 243 2.735 -4.227 -40.284 1.00 0.00 C -ATOM 3658 HA GLU 243 2.618 -4.823 -39.378 1.00 0.00 H -ATOM 3659 CB GLU 243 3.206 -5.071 -41.513 1.00 0.00 C -ATOM 3660 HB2 GLU 243 2.344 -5.513 -42.013 1.00 0.00 H -ATOM 3661 HB3 GLU 243 3.800 -4.575 -42.281 1.00 0.00 H -ATOM 3662 CG GLU 243 3.974 -6.382 -41.102 1.00 0.00 C -ATOM 3663 HG2 GLU 243 4.974 -6.045 -40.830 1.00 0.00 H -ATOM 3664 HG3 GLU 243 3.427 -6.820 -40.267 1.00 0.00 H -ATOM 3665 CD GLU 243 4.168 -7.308 -42.310 1.00 0.00 C -ATOM 3666 OE1 GLU 243 3.683 -8.501 -42.172 1.00 0.00 O -ATOM 3667 OE2 GLU 243 4.749 -6.967 -43.350 1.00 0.00 O -ATOM 3668 C GLU 243 3.781 -3.148 -39.863 1.00 0.00 C -ATOM 3669 O GLU 243 3.712 -1.974 -40.108 1.00 0.00 O -ATOM 3670 N VAL 244 4.931 -3.591 -39.345 1.00 0.00 N -ATOM 3671 H VAL 244 5.191 -4.566 -39.303 1.00 0.00 H -ATOM 3672 CA VAL 244 5.969 -2.609 -38.873 1.00 0.00 C -ATOM 3673 HA VAL 244 5.698 -1.575 -39.088 1.00 0.00 H -ATOM 3674 CB VAL 244 6.373 -2.620 -37.358 1.00 0.00 C -ATOM 3675 HB VAL 244 6.867 -3.553 -37.089 1.00 0.00 H -ATOM 3676 CG1 VAL 244 7.306 -1.453 -36.913 1.00 0.00 C -ATOM 3677 HG11 VAL 244 7.008 -0.511 -37.373 1.00 0.00 H -ATOM 3678 HG12 VAL 244 7.284 -1.293 -35.835 1.00 0.00 H -ATOM 3679 HG13 VAL 244 8.343 -1.726 -37.107 1.00 0.00 H -ATOM 3680 CG2 VAL 244 5.057 -2.550 -36.605 1.00 0.00 C -ATOM 3681 HG21 VAL 244 4.416 -3.398 -36.846 1.00 0.00 H -ATOM 3682 HG22 VAL 244 5.141 -2.434 -35.525 1.00 0.00 H -ATOM 3683 HG23 VAL 244 4.447 -1.739 -37.003 1.00 0.00 H -ATOM 3684 C VAL 244 7.279 -2.846 -39.654 1.00 0.00 C -ATOM 3685 O VAL 244 7.961 -3.818 -39.465 1.00 0.00 O -ATOM 3686 N VAL 245 7.579 -1.897 -40.548 1.00 0.00 N -ATOM 3687 H VAL 245 6.947 -1.139 -40.760 1.00 0.00 H -ATOM 3688 CA VAL 245 8.887 -1.826 -41.307 1.00 0.00 C -ATOM 3689 HA VAL 245 9.164 -2.849 -41.559 1.00 0.00 H -ATOM 3690 CB VAL 245 8.783 -1.045 -42.611 1.00 0.00 C -ATOM 3691 HB VAL 245 8.832 0.005 -42.325 1.00 0.00 H -ATOM 3692 CG1 VAL 245 10.025 -1.203 -43.568 1.00 0.00 C -ATOM 3693 HG11 VAL 245 10.043 -2.230 -43.933 1.00 0.00 H -ATOM 3694 HG12 VAL 245 10.003 -0.599 -44.475 1.00 0.00 H -ATOM 3695 HG13 VAL 245 10.981 -1.012 -43.081 1.00 0.00 H -ATOM 3696 CG2 VAL 245 7.506 -1.431 -43.441 1.00 0.00 C -ATOM 3697 HG21 VAL 245 7.180 -2.467 -43.352 1.00 0.00 H -ATOM 3698 HG22 VAL 245 6.671 -0.790 -43.161 1.00 0.00 H -ATOM 3699 HG23 VAL 245 7.760 -1.256 -44.486 1.00 0.00 H -ATOM 3700 C VAL 245 10.043 -1.339 -40.396 1.00 0.00 C -ATOM 3701 O VAL 245 9.930 -0.392 -39.626 1.00 0.00 O -ATOM 3702 N HIS 246 11.154 -2.065 -40.402 1.00 0.00 N -ATOM 3703 H HIS 246 11.313 -2.810 -41.065 1.00 0.00 H -ATOM 3704 CA HIS 246 12.294 -1.825 -39.542 1.00 0.00 C -ATOM 3705 HA HIS 246 12.073 -1.050 -38.808 1.00 0.00 H -ATOM 3706 CB HIS 246 12.633 -3.163 -38.834 1.00 0.00 C -ATOM 3707 HB2 HIS 246 12.392 -4.064 -39.398 1.00 0.00 H -ATOM 3708 HB3 HIS 246 13.635 -3.129 -38.407 1.00 0.00 H -ATOM 3709 CG HIS 246 11.766 -3.290 -37.626 1.00 0.00 C -ATOM 3710 ND1 HIS 246 12.107 -2.823 -36.349 1.00 0.00 N -ATOM 3711 CE1 HIS 246 11.044 -3.045 -35.567 1.00 0.00 C -ATOM 3712 HE1 HIS 246 11.017 -2.849 -34.506 1.00 0.00 H -ATOM 3713 NE2 HIS 246 10.089 -3.637 -36.330 1.00 0.00 N -ATOM 3714 HE2 HIS 246 9.221 -4.018 -35.980 1.00 0.00 H -ATOM 3715 CD2 HIS 246 10.540 -3.791 -37.614 1.00 0.00 C -ATOM 3716 HD2 HIS 246 10.002 -4.235 -38.438 1.00 0.00 H -ATOM 3717 C HIS 246 13.499 -1.293 -40.382 1.00 0.00 C -ATOM 3718 O HIS 246 13.716 -1.744 -41.488 1.00 0.00 O -ATOM 3719 N VAL 247 14.199 -0.228 -39.825 1.00 0.00 N -ATOM 3720 H VAL 247 13.877 0.119 -38.932 1.00 0.00 H -ATOM 3721 CA VAL 247 15.347 0.478 -40.372 1.00 0.00 C -ATOM 3722 HA VAL 247 15.881 -0.187 -41.052 1.00 0.00 H -ATOM 3723 CB VAL 247 14.954 1.724 -41.262 1.00 0.00 C -ATOM 3724 HB VAL 247 14.820 2.633 -40.676 1.00 0.00 H -ATOM 3725 CG1 VAL 247 16.137 2.091 -42.291 1.00 0.00 C -ATOM 3726 HG11 VAL 247 16.148 1.173 -42.879 1.00 0.00 H -ATOM 3727 HG12 VAL 247 15.806 2.903 -42.939 1.00 0.00 H -ATOM 3728 HG13 VAL 247 17.053 2.193 -41.709 1.00 0.00 H -ATOM 3729 CG2 VAL 247 13.629 1.582 -42.081 1.00 0.00 C -ATOM 3730 HG21 VAL 247 13.653 2.364 -42.841 1.00 0.00 H -ATOM 3731 HG22 VAL 247 13.706 0.636 -42.617 1.00 0.00 H -ATOM 3732 HG23 VAL 247 12.820 1.507 -41.355 1.00 0.00 H -ATOM 3733 C VAL 247 16.413 0.873 -39.334 1.00 0.00 C -ATOM 3734 O VAL 247 16.659 2.058 -39.171 1.00 0.00 O -ATOM 3735 N ASP 248 16.817 -0.103 -38.486 1.00 0.00 N -ATOM 3736 H ASP 248 16.501 -1.023 -38.757 1.00 0.00 H -ATOM 3737 CA ASP 248 17.813 0.011 -37.393 1.00 0.00 C -ATOM 3738 HA ASP 248 17.915 1.073 -37.173 1.00 0.00 H -ATOM 3739 CB ASP 248 17.309 -0.667 -36.154 1.00 0.00 C -ATOM 3740 HB2 ASP 248 17.913 -0.313 -35.319 1.00 0.00 H -ATOM 3741 HB3 ASP 248 16.329 -0.260 -35.903 1.00 0.00 H -ATOM 3742 CG ASP 248 17.177 -2.169 -36.276 1.00 0.00 C -ATOM 3743 OD1 ASP 248 16.122 -2.557 -36.854 1.00 0.00 O -ATOM 3744 OD2 ASP 248 18.153 -2.884 -35.971 1.00 0.00 O -ATOM 3745 C ASP 248 19.205 -0.604 -37.738 1.00 0.00 C -ATOM 3746 O ASP 248 20.174 -0.346 -36.971 1.00 0.00 O -ATOM 3747 N ALA 249 19.262 -1.462 -38.749 1.00 0.00 N -ATOM 3748 H ALA 249 18.386 -1.663 -39.211 1.00 0.00 H -ATOM 3749 CA ALA 249 20.542 -2.036 -39.241 1.00 0.00 C -ATOM 3750 HA ALA 249 20.119 -2.793 -39.901 1.00 0.00 H -ATOM 3751 CB ALA 249 21.303 -0.955 -39.956 1.00 0.00 C -ATOM 3752 HB1 ALA 249 21.922 -1.336 -40.769 1.00 0.00 H -ATOM 3753 HB2 ALA 249 20.682 -0.164 -40.377 1.00 0.00 H -ATOM 3754 HB3 ALA 249 22.014 -0.474 -39.285 1.00 0.00 H -ATOM 3755 C ALA 249 21.400 -2.759 -38.146 1.00 0.00 C -ATOM 3756 O ALA 249 22.632 -2.713 -38.125 1.00 0.00 O -ATOM 3757 N GLY 250 20.696 -3.367 -37.135 1.00 0.00 N -ATOM 3758 H GLY 250 19.701 -3.203 -37.077 1.00 0.00 H -ATOM 3759 CA GLY 250 21.210 -4.402 -36.232 1.00 0.00 C -ATOM 3760 HA2 GLY 250 20.442 -5.136 -35.990 1.00 0.00 H -ATOM 3761 HA3 GLY 250 22.079 -4.834 -36.729 1.00 0.00 H -ATOM 3762 C GLY 250 21.493 -3.851 -34.863 1.00 0.00 C -ATOM 3763 O GLY 250 22.521 -4.227 -34.292 1.00 0.00 O -ATOM 3764 N TYR 251 20.618 -3.073 -34.274 1.00 0.00 N -ATOM 3765 H TYR 251 19.799 -2.838 -34.817 1.00 0.00 H -ATOM 3766 CA TYR 251 20.587 -2.479 -32.900 1.00 0.00 C -ATOM 3767 HA TYR 251 21.497 -1.879 -32.883 1.00 0.00 H -ATOM 3768 CB TYR 251 19.470 -1.430 -32.948 1.00 0.00 C -ATOM 3769 HB2 TYR 251 19.582 -0.789 -33.823 1.00 0.00 H -ATOM 3770 HB3 TYR 251 18.567 -1.963 -33.246 1.00 0.00 H -ATOM 3771 CG TYR 251 19.328 -0.594 -31.694 1.00 0.00 C -ATOM 3772 CD1 TYR 251 18.468 -1.015 -30.635 1.00 0.00 C -ATOM 3773 HD1 TYR 251 18.052 -2.007 -30.731 1.00 0.00 H -ATOM 3774 CE1 TYR 251 18.259 -0.215 -29.517 1.00 0.00 C -ATOM 3775 HE1 TYR 251 17.732 -0.605 -28.659 1.00 0.00 H -ATOM 3776 CZ TYR 251 18.762 1.119 -29.524 1.00 0.00 C -ATOM 3777 OH TYR 251 18.678 1.744 -28.304 1.00 0.00 O -ATOM 3778 HH TYR 251 18.321 1.068 -27.723 1.00 0.00 H -ATOM 3779 CE2 TYR 251 19.524 1.610 -30.609 1.00 0.00 C -ATOM 3780 HE2 TYR 251 19.883 2.627 -30.551 1.00 0.00 H -ATOM 3781 CD2 TYR 251 19.835 0.751 -31.731 1.00 0.00 C -ATOM 3782 HD2 TYR 251 20.463 1.103 -32.536 1.00 0.00 H -ATOM 3783 C TYR 251 20.639 -3.556 -31.773 1.00 0.00 C -ATOM 3784 O TYR 251 21.155 -3.333 -30.692 1.00 0.00 O -ATOM 3785 N HIS 252 20.256 -4.814 -32.080 1.00 0.00 N -ATOM 3786 H HIS 252 19.728 -4.965 -32.929 1.00 0.00 H -ATOM 3787 CA HIS 252 20.418 -5.856 -31.138 1.00 0.00 C -ATOM 3788 HA HIS 252 20.113 -5.501 -30.154 1.00 0.00 H -ATOM 3789 CB HIS 252 19.538 -7.004 -31.576 1.00 0.00 C -ATOM 3790 HB2 HIS 252 18.505 -6.686 -31.434 1.00 0.00 H -ATOM 3791 HB3 HIS 252 19.885 -7.343 -32.552 1.00 0.00 H -ATOM 3792 CG HIS 252 19.673 -8.187 -30.719 1.00 0.00 C -ATOM 3793 ND1 HIS 252 19.047 -8.280 -29.484 1.00 0.00 N -ATOM 3794 CE1 HIS 252 19.559 -9.355 -28.914 1.00 0.00 C -ATOM 3795 HE1 HIS 252 19.436 -9.688 -27.894 1.00 0.00 H -ATOM 3796 NE2 HIS 252 20.439 -9.950 -29.751 1.00 0.00 N -ATOM 3797 HE2 HIS 252 20.984 -10.783 -29.581 1.00 0.00 H -ATOM 3798 CD2 HIS 252 20.508 -9.191 -30.895 1.00 0.00 C -ATOM 3799 HD2 HIS 252 21.070 -9.401 -31.793 1.00 0.00 H -ATOM 3800 C HIS 252 21.868 -6.256 -30.972 1.00 0.00 C -ATOM 3801 O HIS 252 22.360 -6.465 -29.896 1.00 0.00 O -ATOM 3802 N CYS 253 22.611 -6.113 -32.035 1.00 0.00 N -ATOM 3803 H CYS 253 22.215 -5.577 -32.794 1.00 0.00 H -ATOM 3804 CA CYS 253 23.986 -6.617 -32.294 1.00 0.00 C -ATOM 3805 HA CYS 253 24.090 -7.414 -31.558 1.00 0.00 H -ATOM 3806 CB CYS 253 24.165 -7.243 -33.680 1.00 0.00 C -ATOM 3807 HB2 CYS 253 24.310 -6.451 -34.415 1.00 0.00 H -ATOM 3808 HB3 CYS 253 25.014 -7.923 -33.755 1.00 0.00 H -ATOM 3809 SG CYS 253 22.619 -8.233 -33.983 1.00 0.00 S -ATOM 3810 HG CYS 253 22.804 -8.371 -35.299 1.00 0.00 H -ATOM 3811 C CYS 253 25.104 -5.720 -31.878 1.00 0.00 C -ATOM 3812 O CYS 253 26.260 -5.982 -32.226 1.00 0.00 O -ATOM 3813 N VAL 254 24.786 -4.747 -31.071 1.00 0.00 N -ATOM 3814 H VAL 254 23.849 -4.648 -30.706 1.00 0.00 H -ATOM 3815 CA VAL 254 25.752 -3.752 -30.588 1.00 0.00 C -ATOM 3816 HA VAL 254 26.366 -3.506 -31.455 1.00 0.00 H -ATOM 3817 CB VAL 254 25.163 -2.384 -30.231 1.00 0.00 C -ATOM 3818 HB VAL 254 25.885 -1.722 -29.754 1.00 0.00 H -ATOM 3819 CG1 VAL 254 24.467 -1.776 -31.397 1.00 0.00 C -ATOM 3820 HG11 VAL 254 25.128 -1.488 -32.214 1.00 0.00 H -ATOM 3821 HG12 VAL 254 23.612 -2.418 -31.608 1.00 0.00 H -ATOM 3822 HG13 VAL 254 24.042 -0.827 -31.070 1.00 0.00 H -ATOM 3823 CG2 VAL 254 24.100 -2.483 -29.054 1.00 0.00 C -ATOM 3824 HG21 VAL 254 24.629 -2.513 -28.102 1.00 0.00 H -ATOM 3825 HG22 VAL 254 23.464 -1.601 -28.975 1.00 0.00 H -ATOM 3826 HG23 VAL 254 23.540 -3.417 -29.025 1.00 0.00 H -ATOM 3827 C VAL 254 26.754 -4.259 -29.538 1.00 0.00 C -ATOM 3828 O VAL 254 26.264 -4.863 -28.621 1.00 0.00 O -ATOM 3829 N SER 255 28.008 -4.014 -29.750 1.00 0.00 N -ATOM 3830 H SER 255 28.286 -3.547 -30.600 1.00 0.00 H -ATOM 3831 CA SER 255 29.101 -4.539 -28.934 1.00 0.00 C -ATOM 3832 HA SER 255 28.901 -5.579 -28.677 1.00 0.00 H -ATOM 3833 CB SER 255 30.442 -4.556 -29.697 1.00 0.00 C -ATOM 3834 HB2 SER 255 31.197 -4.939 -29.008 1.00 0.00 H -ATOM 3835 HB3 SER 255 30.359 -5.302 -30.487 1.00 0.00 H -ATOM 3836 OG SER 255 30.690 -3.298 -30.318 1.00 0.00 O -ATOM 3837 HG SER 255 31.619 -3.338 -30.557 1.00 0.00 H -ATOM 3838 C SER 255 29.271 -3.845 -27.536 1.00 0.00 C -ATOM 3839 O SER 255 29.791 -4.437 -26.605 1.00 0.00 O -ATOM 3840 N MET 256 28.808 -2.585 -27.418 1.00 0.00 N -ATOM 3841 H MET 256 28.411 -2.102 -28.211 1.00 0.00 H -ATOM 3842 CA MET 256 28.787 -1.923 -26.091 1.00 0.00 C -ATOM 3843 HA MET 256 28.883 -2.662 -25.295 1.00 0.00 H -ATOM 3844 CB MET 256 29.980 -1.014 -25.874 1.00 0.00 C -ATOM 3845 HB2 MET 256 29.901 -0.030 -26.336 1.00 0.00 H -ATOM 3846 HB3 MET 256 29.858 -0.807 -24.811 1.00 0.00 H -ATOM 3847 CG MET 256 31.365 -1.605 -26.150 1.00 0.00 C -ATOM 3848 HG2 MET 256 31.358 -2.568 -25.639 1.00 0.00 H -ATOM 3849 HG3 MET 256 31.429 -1.861 -27.208 1.00 0.00 H -ATOM 3850 SD MET 256 32.944 -0.794 -25.635 1.00 0.00 S -ATOM 3851 CE MET 256 32.699 -0.596 -23.880 1.00 0.00 C -ATOM 3852 HE1 MET 256 33.627 -0.177 -23.491 1.00 0.00 H -ATOM 3853 HE2 MET 256 31.959 0.198 -23.779 1.00 0.00 H -ATOM 3854 HE3 MET 256 32.474 -1.466 -23.262 1.00 0.00 H -ATOM 3855 C MET 256 27.425 -1.170 -25.900 1.00 0.00 C -ATOM 3856 O MET 256 26.710 -0.748 -26.848 1.00 0.00 O -ATOM 3857 N GLY 257 27.148 -0.909 -24.634 1.00 0.00 N -ATOM 3858 H GLY 257 27.727 -1.203 -23.860 1.00 0.00 H -ATOM 3859 CA GLY 257 26.152 0.111 -24.193 1.00 0.00 C -ATOM 3860 HA2 GLY 257 25.338 0.185 -24.914 1.00 0.00 H -ATOM 3861 HA3 GLY 257 25.642 -0.121 -23.258 1.00 0.00 H -ATOM 3862 C GLY 257 26.764 1.557 -23.959 1.00 0.00 C -ATOM 3863 O GLY 257 27.951 1.746 -24.189 1.00 0.00 O -ATOM 3864 N ASN 258 25.876 2.487 -23.562 1.00 0.00 N -ATOM 3865 H ASN 258 24.963 2.212 -23.227 1.00 0.00 H -ATOM 3866 CA ASN 258 26.183 3.988 -23.476 1.00 0.00 C -ATOM 3867 HA ASN 258 26.112 4.453 -24.460 1.00 0.00 H -ATOM 3868 CB ASN 258 25.092 4.748 -22.658 1.00 0.00 C -ATOM 3869 HB2 ASN 258 24.088 4.355 -22.818 1.00 0.00 H -ATOM 3870 HB3 ASN 258 25.237 4.650 -21.582 1.00 0.00 H -ATOM 3871 CG ASN 258 25.061 6.299 -22.893 1.00 0.00 C -ATOM 3872 OD1 ASN 258 25.893 6.879 -23.645 1.00 0.00 O -ATOM 3873 ND2 ASN 258 24.030 6.905 -22.372 1.00 0.00 N -ATOM 3874 HD21 ASN 258 24.118 7.881 -22.617 1.00 0.00 H -ATOM 3875 HD22 ASN 258 23.357 6.477 -21.752 1.00 0.00 H -ATOM 3876 C ASN 258 27.533 4.223 -22.867 1.00 0.00 C -ATOM 3877 O ASN 258 27.787 4.025 -21.639 1.00 0.00 O -ATOM 3878 N VAL 259 28.405 4.908 -23.654 1.00 0.00 N -ATOM 3879 H VAL 259 27.953 5.248 -24.491 1.00 0.00 H -ATOM 3880 CA VAL 259 29.674 5.560 -23.300 1.00 0.00 C -ATOM 3881 HA VAL 259 29.916 5.173 -22.310 1.00 0.00 H -ATOM 3882 CB VAL 259 30.718 5.288 -24.334 1.00 0.00 C -ATOM 3883 HB VAL 259 31.692 5.608 -23.963 1.00 0.00 H -ATOM 3884 CG1 VAL 259 31.081 3.781 -24.654 1.00 0.00 C -ATOM 3885 HG11 VAL 259 32.138 3.746 -24.915 1.00 0.00 H -ATOM 3886 HG12 VAL 259 30.887 3.191 -23.758 1.00 0.00 H -ATOM 3887 HG13 VAL 259 30.510 3.333 -25.467 1.00 0.00 H -ATOM 3888 CG2 VAL 259 30.454 6.082 -25.647 1.00 0.00 C -ATOM 3889 HG21 VAL 259 29.505 5.799 -26.104 1.00 0.00 H -ATOM 3890 HG22 VAL 259 30.227 7.129 -25.445 1.00 0.00 H -ATOM 3891 HG23 VAL 259 31.167 5.828 -26.431 1.00 0.00 H -ATOM 3892 C VAL 259 29.532 7.134 -22.939 1.00 0.00 C -ATOM 3893 O VAL 259 28.852 7.911 -23.606 1.00 0.00 O -ATOM 3894 N LEU 260 30.396 7.584 -22.042 1.00 0.00 N -ATOM 3895 H LEU 260 30.987 6.968 -21.502 1.00 0.00 H -ATOM 3896 CA LEU 260 30.321 8.894 -21.373 1.00 0.00 C -ATOM 3897 HA LEU 260 29.279 9.178 -21.225 1.00 0.00 H -ATOM 3898 CB LEU 260 30.910 8.623 -19.948 1.00 0.00 C -ATOM 3899 HB2 LEU 260 30.554 7.670 -19.556 1.00 0.00 H -ATOM 3900 HB3 LEU 260 31.999 8.584 -19.973 1.00 0.00 H -ATOM 3901 CG LEU 260 30.591 9.713 -18.868 1.00 0.00 C -ATOM 3902 HG LEU 260 30.664 10.692 -19.343 1.00 0.00 H -ATOM 3903 CD1 LEU 260 29.210 9.665 -18.297 1.00 0.00 C -ATOM 3904 HD11 LEU 260 28.947 10.529 -17.687 1.00 0.00 H -ATOM 3905 HD12 LEU 260 28.463 9.829 -19.073 1.00 0.00 H -ATOM 3906 HD13 LEU 260 28.919 8.722 -17.835 1.00 0.00 H -ATOM 3907 CD2 LEU 260 31.543 9.514 -17.745 1.00 0.00 C -ATOM 3908 HD21 LEU 260 31.521 8.488 -17.377 1.00 0.00 H -ATOM 3909 HD22 LEU 260 32.532 9.754 -18.134 1.00 0.00 H -ATOM 3910 HD23 LEU 260 31.299 10.092 -16.853 1.00 0.00 H -ATOM 3911 C LEU 260 31.114 9.989 -22.113 1.00 0.00 C -ATOM 3912 O LEU 260 32.136 9.703 -22.700 1.00 0.00 O -ATOM 3913 N LEU 261 30.535 11.235 -22.060 1.00 0.00 N -ATOM 3914 H LEU 261 29.675 11.320 -21.536 1.00 0.00 H -ATOM 3915 CA LEU 261 31.088 12.464 -22.693 1.00 0.00 C -ATOM 3916 HA LEU 261 32.115 12.213 -22.957 1.00 0.00 H -ATOM 3917 CB LEU 261 30.278 12.727 -23.996 1.00 0.00 C -ATOM 3918 HB2 LEU 261 30.389 11.874 -24.665 1.00 0.00 H -ATOM 3919 HB3 LEU 261 29.223 12.870 -23.766 1.00 0.00 H -ATOM 3920 CG LEU 261 30.839 13.940 -24.804 1.00 0.00 C -ATOM 3921 HG LEU 261 30.872 14.876 -24.247 1.00 0.00 H -ATOM 3922 CD1 LEU 261 32.265 13.617 -25.264 1.00 0.00 C -ATOM 3923 HD11 LEU 261 32.923 13.884 -24.437 1.00 0.00 H -ATOM 3924 HD12 LEU 261 32.477 12.563 -25.442 1.00 0.00 H -ATOM 3925 HD13 LEU 261 32.495 14.188 -26.164 1.00 0.00 H -ATOM 3926 CD2 LEU 261 29.822 14.158 -25.891 1.00 0.00 C -ATOM 3927 HD21 LEU 261 28.824 14.416 -25.538 1.00 0.00 H -ATOM 3928 HD22 LEU 261 30.115 14.874 -26.659 1.00 0.00 H -ATOM 3929 HD23 LEU 261 29.687 13.214 -26.418 1.00 0.00 H -ATOM 3930 C LEU 261 30.955 13.597 -21.690 1.00 0.00 C -ATOM 3931 O LEU 261 29.942 14.111 -21.381 1.00 0.00 O -ATOM 3932 N GLU 262 32.066 13.994 -21.049 1.00 0.00 N -ATOM 3933 H GLU 262 32.907 13.476 -21.260 1.00 0.00 H -ATOM 3934 CA GLU 262 32.151 14.925 -19.888 1.00 0.00 C -ATOM 3935 HA GLU 262 31.135 15.097 -19.534 1.00 0.00 H -ATOM 3936 CB GLU 262 33.142 14.402 -18.816 1.00 0.00 C -ATOM 3937 HB2 GLU 262 34.118 14.335 -19.297 1.00 0.00 H -ATOM 3938 HB3 GLU 262 33.126 15.003 -17.907 1.00 0.00 H -ATOM 3939 CG GLU 262 32.776 12.946 -18.247 1.00 0.00 C -ATOM 3940 HG2 GLU 262 31.744 13.018 -17.901 1.00 0.00 H -ATOM 3941 HG3 GLU 262 32.699 12.225 -19.060 1.00 0.00 H -ATOM 3942 CD GLU 262 33.723 12.383 -17.143 1.00 0.00 C -ATOM 3943 OE1 GLU 262 33.384 12.483 -15.950 1.00 0.00 O -ATOM 3944 OE2 GLU 262 34.866 12.074 -17.431 1.00 0.00 O -ATOM 3945 C GLU 262 32.754 16.311 -20.294 1.00 0.00 C -ATOM 3946 O GLU 262 32.591 17.311 -19.611 1.00 0.00 O -ATOM 3947 N HIS 263 33.333 16.381 -21.504 1.00 0.00 N -ATOM 3948 H HIS 263 33.188 15.539 -22.042 1.00 0.00 H -ATOM 3949 CA HIS 263 33.490 17.651 -22.297 1.00 0.00 C -ATOM 3950 HA HIS 263 33.750 18.431 -21.581 1.00 0.00 H -ATOM 3951 CB HIS 263 34.668 17.586 -23.293 1.00 0.00 C -ATOM 3952 HB2 HIS 263 35.463 17.285 -22.612 1.00 0.00 H -ATOM 3953 HB3 HIS 263 34.440 16.805 -24.019 1.00 0.00 H -ATOM 3954 CG HIS 263 35.069 18.832 -24.048 1.00 0.00 C -ATOM 3955 ND1 HIS 263 35.071 20.106 -23.427 1.00 0.00 N -ATOM 3956 CE1 HIS 263 35.134 20.981 -24.452 1.00 0.00 C -ATOM 3957 HE1 HIS 263 35.321 22.009 -24.180 1.00 0.00 H -ATOM 3958 NE2 HIS 263 35.298 20.368 -25.615 1.00 0.00 N -ATOM 3959 HE2 HIS 263 35.750 20.788 -26.414 1.00 0.00 H -ATOM 3960 CD2 HIS 263 35.259 18.961 -25.392 1.00 0.00 C -ATOM 3961 HD2 HIS 263 35.353 18.266 -26.213 1.00 0.00 H -ATOM 3962 C HIS 263 32.243 18.041 -22.931 1.00 0.00 C -ATOM 3963 O HIS 263 31.341 17.195 -23.259 1.00 0.00 O -ATOM 3964 N HIS 264 32.083 19.289 -23.342 1.00 0.00 N -ATOM 3965 H HIS 264 32.787 19.961 -23.075 1.00 0.00 H -ATOM 3966 CA HIS 264 30.836 19.751 -24.007 1.00 0.00 C -ATOM 3967 HA HIS 264 30.002 19.285 -23.481 1.00 0.00 H -ATOM 3968 CB HIS 264 30.768 21.294 -23.805 1.00 0.00 C -ATOM 3969 HB2 HIS 264 29.739 21.601 -23.992 1.00 0.00 H -ATOM 3970 HB3 HIS 264 30.973 21.495 -22.754 1.00 0.00 H -ATOM 3971 CG HIS 264 31.602 22.203 -24.683 1.00 0.00 C -ATOM 3972 ND1 HIS 264 32.729 22.904 -24.272 1.00 0.00 N -ATOM 3973 CE1 HIS 264 33.222 23.543 -25.356 1.00 0.00 C -ATOM 3974 HE1 HIS 264 34.171 24.059 -25.385 1.00 0.00 H -ATOM 3975 NE2 HIS 264 32.428 23.322 -26.381 1.00 0.00 N -ATOM 3976 HE2 HIS 264 32.600 23.791 -27.259 1.00 0.00 H -ATOM 3977 CD2 HIS 264 31.374 22.505 -25.989 1.00 0.00 C -ATOM 3978 HD2 HIS 264 30.435 22.293 -26.480 1.00 0.00 H -ATOM 3979 C HIS 264 30.810 19.385 -25.463 1.00 0.00 C -ATOM 3980 O HIS 264 29.816 19.599 -26.145 1.00 0.00 O -ATOM 3981 N HIS 265 31.864 18.772 -26.029 1.00 0.00 N -ATOM 3982 H HIS 265 32.683 18.694 -25.443 1.00 0.00 H -ATOM 3983 CA HIS 265 31.905 18.487 -27.508 1.00 0.00 C -ATOM 3984 HA HIS 265 30.862 18.574 -27.814 1.00 0.00 H -ATOM 3985 CB HIS 265 32.713 19.589 -28.193 1.00 0.00 C -ATOM 3986 HB2 HIS 265 32.200 20.547 -28.111 1.00 0.00 H -ATOM 3987 HB3 HIS 265 33.707 19.668 -27.752 1.00 0.00 H -ATOM 3988 CG HIS 265 32.715 19.360 -29.687 1.00 0.00 C -ATOM 3989 ND1 HIS 265 31.878 18.528 -30.451 1.00 0.00 N -ATOM 3990 CE1 HIS 265 32.281 18.701 -31.714 1.00 0.00 C -ATOM 3991 HE1 HIS 265 31.782 18.356 -32.608 1.00 0.00 H -ATOM 3992 NE2 HIS 265 33.184 19.701 -31.796 1.00 0.00 N -ATOM 3993 HE2 HIS 265 33.606 20.069 -32.637 1.00 0.00 H -ATOM 3994 CD2 HIS 265 33.497 20.067 -30.541 1.00 0.00 C -ATOM 3995 HD2 HIS 265 34.173 20.905 -30.454 1.00 0.00 H -ATOM 3996 C HIS 265 32.502 17.086 -27.676 1.00 0.00 C -ATOM 3997 O HIS 265 33.268 16.640 -26.900 1.00 0.00 O -ATOM 3998 N HIS 266 32.190 16.336 -28.663 1.00 0.00 N -ATOM 3999 H HIS 266 31.658 16.797 -29.387 1.00 0.00 H -ATOM 4000 CA HIS 266 32.672 15.018 -29.110 1.00 0.00 C -ATOM 4001 HA HIS 266 32.745 14.320 -28.276 1.00 0.00 H -ATOM 4002 CB HIS 266 31.755 14.564 -30.352 1.00 0.00 C -ATOM 4003 HB2 HIS 266 30.779 14.349 -29.917 1.00 0.00 H -ATOM 4004 HB3 HIS 266 31.564 15.463 -30.938 1.00 0.00 H -ATOM 4005 CG HIS 266 32.298 13.539 -31.308 1.00 0.00 C -ATOM 4006 ND1 HIS 266 32.397 12.189 -31.125 1.00 0.00 N -ATOM 4007 CE1 HIS 266 33.072 11.708 -32.191 1.00 0.00 C -ATOM 4008 HE1 HIS 266 33.236 10.648 -32.315 1.00 0.00 H -ATOM 4009 NE2 HIS 266 33.226 12.687 -33.109 1.00 0.00 N -ATOM 4010 HE2 HIS 266 33.658 12.599 -34.018 1.00 0.00 H -ATOM 4011 CD2 HIS 266 32.837 13.827 -32.565 1.00 0.00 C -ATOM 4012 HD2 HIS 266 32.779 14.800 -33.031 1.00 0.00 H -ATOM 4013 C HIS 266 34.149 15.049 -29.583 1.00 0.00 C -ATOM 4014 O HIS 266 34.830 14.027 -29.635 1.00 0.00 O -ATOM 4015 N HIS 267 34.699 16.257 -29.862 1.00 0.00 N -ATOM 4016 H HIS 267 34.045 17.023 -29.935 1.00 0.00 H -ATOM 4017 CA HIS 267 36.130 16.441 -30.269 1.00 0.00 C -ATOM 4018 HA HIS 267 36.624 15.470 -30.288 1.00 0.00 H -ATOM 4019 CB HIS 267 36.063 17.037 -31.679 1.00 0.00 C -ATOM 4020 HB2 HIS 267 35.366 17.874 -31.633 1.00 0.00 H -ATOM 4021 HB3 HIS 267 36.911 17.708 -31.818 1.00 0.00 H -ATOM 4022 CG HIS 267 35.763 16.011 -32.737 1.00 0.00 C -ATOM 4023 ND1 HIS 267 36.537 14.824 -32.924 1.00 0.00 N -ATOM 4024 CE1 HIS 267 36.195 14.439 -34.138 1.00 0.00 C -ATOM 4025 HE1 HIS 267 36.613 13.588 -34.655 1.00 0.00 H -ATOM 4026 NE2 HIS 267 35.169 15.141 -34.657 1.00 0.00 N -ATOM 4027 HE2 HIS 267 34.869 15.025 -35.614 1.00 0.00 H -ATOM 4028 CD2 HIS 267 35.067 16.235 -33.859 1.00 0.00 C -ATOM 4029 HD2 HIS 267 34.482 17.109 -34.104 1.00 0.00 H -ATOM 4030 C HIS 267 36.778 17.372 -29.188 1.00 0.00 C -ATOM 4031 O HIS 267 36.273 18.457 -28.873 1.00 0.00 O -ATOM 4032 N HIS 268 37.859 16.976 -28.550 1.00 0.00 N -ATOM 4033 H HIS 268 38.135 16.037 -28.799 1.00 0.00 H -ATOM 4034 CA HIS 268 38.486 17.762 -27.458 1.00 0.00 C -ATOM 4035 HA HIS 268 38.074 18.764 -27.338 1.00 0.00 H -ATOM 4036 CB HIS 268 38.293 16.914 -26.175 1.00 0.00 C -ATOM 4037 HB2 HIS 268 37.214 16.813 -26.065 1.00 0.00 H -ATOM 4038 HB3 HIS 268 38.775 15.936 -26.203 1.00 0.00 H -ATOM 4039 CG HIS 268 38.885 17.467 -24.900 1.00 0.00 C -ATOM 4040 ND1 HIS 268 39.493 16.649 -23.928 1.00 0.00 N -ATOM 4041 CE1 HIS 268 39.754 17.525 -22.933 1.00 0.00 C -ATOM 4042 HE1 HIS 268 40.137 17.247 -21.963 1.00 0.00 H -ATOM 4043 NE2 HIS 268 39.352 18.811 -23.198 1.00 0.00 N -ATOM 4044 HE2 HIS 268 39.124 19.555 -22.555 1.00 0.00 H -ATOM 4045 CD2 HIS 268 38.782 18.766 -24.439 1.00 0.00 C -ATOM 4046 HD2 HIS 268 38.343 19.624 -24.926 1.00 0.00 H -ATOM 4047 C HIS 268 39.979 18.028 -27.795 1.00 0.00 C -ATOM 4048 O HIS 268 40.458 19.217 -27.530 1.00 0.00 O -ATOM 4049 OXT HIS 268 40.705 17.085 -28.264 1.00 0.00 O -TER 4050 HIS 268 -HETATM 4050 P1 NDP 269 10.558 15.143 -30.984 1.00 0.00 P -HETATM 4051 O1 NDP 269 11.264 16.434 -31.244 1.00 0.00 O -HETATM 4052 O2 NDP 269 9.720 15.086 -29.775 1.00 0.00 O -HETATM 4053 O3 NDP 269 9.519 14.892 -32.209 1.00 0.00 O -HETATM 4054 C1 NDP 269 9.703 15.487 -33.494 1.00 0.00 C -HETATM 4055 C2 NDP 269 8.480 16.306 -33.974 1.00 0.00 C -HETATM 4056 O4 NDP 269 7.187 15.682 -33.994 1.00 0.00 O -HETATM 4057 C3 NDP 269 8.453 17.545 -33.165 1.00 0.00 C -HETATM 4058 O5 NDP 269 9.108 18.666 -33.828 1.00 0.00 O -HETATM 4059 C4 NDP 269 6.896 17.801 -33.148 1.00 0.00 C -HETATM 4060 O6 NDP 269 6.510 18.555 -34.193 1.00 0.00 O -HETATM 4061 C5 NDP 269 6.276 16.391 -33.236 1.00 0.00 C -HETATM 4062 N1 NDP 269 6.170 15.831 -31.890 1.00 0.00 N -HETATM 4063 C6 NDP 269 6.534 14.540 -31.449 1.00 0.00 C -HETATM 4064 N2 NDP 269 5.917 14.214 -30.359 1.00 0.00 N -HETATM 4065 C7 NDP 269 5.326 15.423 -29.946 1.00 0.00 C -HETATM 4066 C8 NDP 269 4.640 15.787 -28.750 1.00 0.00 C -HETATM 4067 N3 NDP 269 4.525 15.009 -27.655 1.00 0.00 N -HETATM 4068 N4 NDP 269 4.031 16.982 -28.648 1.00 0.00 N -HETATM 4069 C9 NDP 269 4.097 17.819 -29.674 1.00 0.00 C -HETATM 4070 N5 NDP 269 4.773 17.617 -30.849 1.00 0.00 N -HETATM 4071 C10 NDP 269 5.447 16.404 -30.908 1.00 0.00 C -HETATM 4072 O7 NDP 269 11.584 14.016 -30.888 1.00 0.00 O -HETATM 4073 P2 NDP 269 12.060 13.166 -32.093 1.00 0.00 P -HETATM 4074 O8 NDP 269 12.601 13.987 -33.202 1.00 0.00 O -HETATM 4075 O9 NDP 269 12.894 12.050 -31.640 1.00 0.00 O -HETATM 4076 O10 NDP 269 10.771 12.394 -32.657 1.00 0.00 O -HETATM 4077 C11 NDP 269 10.081 11.445 -31.845 1.00 0.00 C -HETATM 4078 C12 NDP 269 9.038 10.732 -32.673 1.00 0.00 C -HETATM 4079 O11 NDP 269 9.645 10.093 -33.796 1.00 0.00 O -HETATM 4080 C13 NDP 269 8.472 9.610 -31.818 1.00 0.00 C -HETATM 4081 O12 NDP 269 7.284 9.338 -32.412 1.00 0.00 O -HETATM 4082 C14 NDP 269 9.506 8.559 -32.064 1.00 0.00 C -HETATM 4083 O13 NDP 269 9.106 7.197 -31.908 1.00 0.00 O -HETATM 4084 C15 NDP 269 9.940 8.697 -33.493 1.00 0.00 C -HETATM 4085 N6 NDP 269 11.333 8.274 -33.826 1.00 0.00 N -HETATM 4086 C16 NDP 269 12.370 9.019 -33.418 1.00 0.00 C -HETATM 4087 C17 NDP 269 13.714 8.756 -33.643 1.00 0.00 C -HETATM 4088 C18 NDP 269 14.959 9.416 -33.013 1.00 0.00 C -HETATM 4089 O14 NDP 269 16.016 8.837 -33.105 1.00 0.00 O -HETATM 4090 N7 NDP 269 14.949 10.887 -33.256 1.00 0.00 N -HETATM 4091 C19 NDP 269 13.879 7.566 -34.356 1.00 0.00 C -HETATM 4092 C20 NDP 269 12.847 6.854 -34.828 1.00 0.00 C -HETATM 4093 C21 NDP 269 11.577 7.222 -34.549 1.00 0.00 C -HETATM 4094 H51 NDP 269 9.898 14.741 -34.264 1.00 0.00 H -HETATM 4095 H52 NDP 269 10.547 16.174 -33.450 1.00 0.00 H -HETATM 4096 H53 NDP 269 8.592 16.658 -35.000 1.00 0.00 H -HETATM 4097 H54 NDP 269 8.746 17.412 -32.123 1.00 0.00 H -HETATM 4098 H55 NDP 269 9.971 18.818 -33.434 1.00 0.00 H -HETATM 4099 H56 NDP 269 6.662 18.354 -32.239 1.00 0.00 H -HETATM 4100 H57 NDP 269 7.381 18.807 -34.508 1.00 0.00 H -HETATM 4101 H58 NDP 269 5.308 16.427 -33.736 1.00 0.00 H -HETATM 4102 H60 NDP 269 7.036 13.836 -32.095 1.00 0.00 H -HETATM 4103 H64 NDP 269 4.827 14.046 -27.705 1.00 0.00 H -HETATM 4104 H65 NDP 269 3.835 15.232 -26.951 1.00 0.00 H -HETATM 4105 H67 NDP 269 3.501 18.701 -29.493 1.00 0.00 H -HETATM 4106 H73 NDP 269 9.613 11.900 -30.973 1.00 0.00 H -HETATM 4107 H74 NDP 269 10.855 10.782 -31.456 1.00 0.00 H -HETATM 4108 H75 NDP 269 8.317 11.465 -33.036 1.00 0.00 H -HETATM 4109 H76 NDP 269 8.467 9.735 -30.735 1.00 0.00 H -HETATM 4110 H77 NDP 269 6.819 10.090 -32.788 1.00 0.00 H -HETATM 4111 H78 NDP 269 10.460 8.696 -31.555 1.00 0.00 H -HETATM 4112 H79 NDP 269 8.970 7.047 -30.969 1.00 0.00 H -HETATM 4113 H80 NDP 269 9.258 8.100 -34.100 1.00 0.00 H -HETATM 4114 H92 NDP 269 12.126 9.697 -32.599 1.00 0.00 H -HETATM 4115 H86 NDP 269 14.098 11.315 -32.922 1.00 0.00 H -HETATM 4116 H87 NDP 269 15.841 11.251 -32.952 1.00 0.00 H -HETATM 4117 H90 NDP 269 14.878 7.200 -34.592 1.00 0.00 H -HETATM 4118 H89 NDP 269 13.007 5.984 -35.466 1.00 0.00 H -HETATM 4119 H81 NDP 269 10.741 6.823 -35.123 1.00 0.00 H -TER 4120 NDP 269 -HETATM 4120 C1 TCS 270 17.622 10.067 -28.584 1.00 0.00 C -HETATM 4121 C2 TCS 270 17.534 8.757 -29.084 1.00 0.00 C -HETATM 4122 C3 TCS 270 18.655 7.965 -29.106 1.00 0.00 C -HETATM 4123 C4 TCS 270 19.909 8.517 -28.855 1.00 0.00 C -HETATM 4124 C5 TCS 270 20.038 9.871 -28.588 1.00 0.00 C -HETATM 4125 C6 TCS 270 18.860 10.626 -28.346 1.00 0.00 C -HETATM 4126 O1 TCS 270 16.476 10.822 -28.396 1.00 0.00 O -HETATM 4127 O2 TCS 270 16.303 8.204 -29.382 1.00 0.00 O -HETATM 4128 C7 TCS 270 15.692 10.841 -27.246 1.00 0.00 C -HETATM 4129 C8 TCS 270 14.913 12.023 -27.001 1.00 0.00 C -HETATM 4130 C9 TCS 270 14.032 11.968 -25.956 1.00 0.00 C -HETATM 4131 C10 TCS 270 13.853 10.878 -25.157 1.00 0.00 C -HETATM 4132 C11 TCS 270 14.598 9.732 -25.412 1.00 0.00 C -HETATM 4133 C12 TCS 270 15.545 9.751 -26.424 1.00 0.00 C -HETATM 4134 CL2 TCS 270 15.076 13.415 -27.968 1.00 0.00 CL -HETATM 4135 CL3 TCS 270 12.739 10.813 -23.781 1.00 0.00 CL -HETATM 4136 CL1 TCS 270 21.347 7.525 -29.050 1.00 0.00 CL -HETATM 4137 H18 TCS 270 18.537 6.924 -29.396 1.00 0.00 H -HETATM 4138 H19 TCS 270 20.981 10.410 -28.528 1.00 0.00 H -HETATM 4139 H20 TCS 270 18.874 11.688 -28.112 1.00 0.00 H -HETATM 4140 H21 TCS 270 15.568 8.843 -29.386 1.00 0.00 H -HETATM 4141 H22 TCS 270 13.385 12.795 -25.676 1.00 0.00 H -HETATM 4142 H23 TCS 270 14.498 8.803 -24.856 1.00 0.00 H -HETATM 4143 H24 TCS 270 16.117 8.860 -26.669 1.00 0.00 H -TER 4144 TCS 270 -CONECT 4050 4051 4052 4053 4072 -CONECT 4051 4050 -CONECT 4052 4050 -CONECT 4053 4050 4054 -CONECT 4054 4053 4055 4094 4095 -CONECT 4055 4054 4056 4057 4096 -CONECT 4056 4055 4061 -CONECT 4057 4055 4058 4059 4097 -CONECT 4058 4057 4098 -CONECT 4059 4057 4060 4061 4099 -CONECT 4060 4059 4100 -CONECT 4061 4056 4059 4062 4101 -CONECT 4062 4061 4063 4071 -CONECT 4063 4062 4064 4102 -CONECT 4064 4063 4065 -CONECT 4065 4064 4066 4071 -CONECT 4066 4065 4067 4068 -CONECT 4067 4066 4103 4104 -CONECT 4068 4066 4069 -CONECT 4069 4068 4070 4105 -CONECT 4070 4069 4071 -CONECT 4071 4062 4065 4070 -CONECT 4072 4050 4073 -CONECT 4073 4072 4074 4075 4076 -CONECT 4074 4073 -CONECT 4075 4073 -CONECT 4076 4073 4077 -CONECT 4077 4076 4078 4106 4107 -CONECT 4078 4077 4079 4080 4108 -CONECT 4079 4078 4084 -CONECT 4080 4078 4081 4082 4109 -CONECT 4081 4080 4110 -CONECT 4082 4080 4083 4084 4111 -CONECT 4083 4082 4112 -CONECT 4084 4079 4082 4085 4113 -CONECT 4085 4084 4086 4093 -CONECT 4086 4085 4087 4114 -CONECT 4087 4086 4088 4091 -CONECT 4088 4087 4089 4090 -CONECT 4089 4088 -CONECT 4090 4088 4115 4116 -CONECT 4091 4087 4092 4117 -CONECT 4092 4091 4093 4118 -CONECT 4093 4085 4092 4119 -CONECT 4094 4054 -CONECT 4095 4054 -CONECT 4096 4055 -CONECT 4097 4057 -CONECT 4098 4058 -CONECT 4099 4059 -CONECT 4100 4060 -CONECT 4101 4061 -CONECT 4102 4063 -CONECT 4103 4067 -CONECT 4104 4067 -CONECT 4105 4069 -CONECT 4106 4077 -CONECT 4107 4077 -CONECT 4108 4078 -CONECT 4109 4080 -CONECT 4110 4081 -CONECT 4111 4082 -CONECT 4112 4083 -CONECT 4113 4084 -CONECT 4114 4086 -CONECT 4115 4090 -CONECT 4116 4090 -CONECT 4117 4091 -CONECT 4118 4092 -CONECT 4119 4093 -CONECT 4120 4121 4125 4126 -CONECT 4121 4120 4122 4127 -CONECT 4122 4121 4123 4137 -CONECT 4123 4122 4124 4136 -CONECT 4124 4123 4125 4138 -CONECT 4125 4120 4124 4139 -CONECT 4126 4120 4128 -CONECT 4127 4121 4140 -CONECT 4128 4126 4129 4133 -CONECT 4129 4128 4130 4134 -CONECT 4130 4129 4131 4141 -CONECT 4131 4130 4132 4135 -CONECT 4132 4131 4133 4142 -CONECT 4133 4128 4132 4143 -CONECT 4134 4129 -CONECT 4135 4131 -CONECT 4136 4123 -CONECT 4137 4122 -CONECT 4138 4124 -CONECT 4139 4125 -CONECT 4140 4127 -CONECT 4141 4130 -CONECT 4142 4132 -CONECT 4143 4133 -END diff --git a/test/Test_AmbPDB/out.pdb.save b/test/Test_AmbPDB/out.pdb.save deleted file mode 100644 index 36dd6b6623..0000000000 --- a/test/Test_AmbPDB/out.pdb.save +++ /dev/null @@ -1,225 +0,0 @@ -ATOM 1 N SER 1 -1.889 9.159 7.569 1.00 0.00 N -ATOM 2 H1 SER 1 -1.037 8.691 7.296 1.00 0.00 H -ATOM 3 H2 SER 1 -1.900 9.298 8.569 1.00 0.00 H -ATOM 4 H3 SER 1 -2.538 8.447 7.265 1.00 0.00 H -ATOM 5 CA SER 1 -2.064 10.501 6.993 1.00 0.00 C -ATOM 6 HA SER 1 -3.100 10.824 7.102 1.00 0.00 H -ATOM 7 CB SER 1 -1.230 11.561 7.707 1.00 0.00 C -ATOM 8 HB2 SER 1 -1.670 11.811 8.673 1.00 0.00 H -ATOM 9 HB3 SER 1 -1.248 12.503 7.159 1.00 0.00 H -ATOM 10 OG SER 1 0.123 11.216 7.904 1.00 0.00 O -ATOM 11 HG SER 1 0.274 11.728 8.701 1.00 0.00 H -ATOM 12 C SER 1 -1.613 10.418 5.542 1.00 0.00 C -ATOM 13 O SER 1 -2.498 10.433 4.689 1.00 0.00 O -ATOM 14 N TRP 2 -0.366 10.572 5.090 1.00 0.00 N -ATOM 15 H TRP 2 0.344 10.612 5.808 1.00 0.00 H -ATOM 16 CA TRP 2 0.195 10.697 3.760 1.00 0.00 C -ATOM 17 HA TRP 2 -0.218 11.569 3.254 1.00 0.00 H -ATOM 18 CB TRP 2 1.710 10.879 3.709 1.00 0.00 C -ATOM 19 HB2 TRP 2 2.208 9.986 4.087 1.00 0.00 H -ATOM 20 HB3 TRP 2 1.927 11.641 4.458 1.00 0.00 H -ATOM 21 CG TRP 2 2.265 11.291 2.384 1.00 0.00 C -ATOM 22 CD1 TRP 2 2.032 12.500 1.827 1.00 0.00 C -ATOM 23 HD1 TRP 2 1.538 13.333 2.305 1.00 0.00 H -ATOM 24 NE1 TRP 2 2.860 12.580 0.724 1.00 0.00 N -ATOM 25 HE1 TRP 2 2.929 13.404 0.143 1.00 0.00 H -ATOM 26 CE2 TRP 2 3.662 11.460 0.646 1.00 0.00 C -ATOM 27 CZ2 TRP 2 4.620 11.160 -0.330 1.00 0.00 C -ATOM 28 HZ2 TRP 2 5.059 11.863 -1.023 1.00 0.00 H -ATOM 29 CH2 TRP 2 5.091 9.843 -0.377 1.00 0.00 C -ATOM 30 HH2 TRP 2 5.854 9.610 -1.105 1.00 0.00 H -ATOM 31 CZ3 TRP 2 4.545 8.850 0.445 1.00 0.00 C -ATOM 32 HZ3 TRP 2 4.823 7.840 0.182 1.00 0.00 H -ATOM 33 CE3 TRP 2 3.549 9.159 1.379 1.00 0.00 C -ATOM 34 HE3 TRP 2 3.135 8.430 2.059 1.00 0.00 H -ATOM 35 CD2 TRP 2 3.075 10.477 1.483 1.00 0.00 C -ATOM 36 C TRP 2 -0.190 9.609 2.768 1.00 0.00 C -ATOM 37 O TRP 2 -0.452 9.963 1.621 1.00 0.00 O -ATOM 38 N THR 3 -0.268 8.402 3.334 1.00 0.00 N -ATOM 39 H THR 3 -0.260 8.275 4.336 1.00 0.00 H -ATOM 40 CA THR 3 -0.606 7.172 2.647 1.00 0.00 C -ATOM 41 HA THR 3 -0.180 7.266 1.648 1.00 0.00 H -ATOM 42 CB THR 3 -0.093 5.992 3.468 1.00 0.00 C -ATOM 43 HB THR 3 -0.586 5.081 3.128 1.00 0.00 H -ATOM 44 CG2 THR 3 1.343 5.648 3.081 1.00 0.00 C -ATOM 45 HG21 THR 3 1.306 5.005 2.202 1.00 0.00 H -ATOM 46 HG22 THR 3 1.955 6.543 2.967 1.00 0.00 H -ATOM 47 HG23 THR 3 1.828 5.068 3.866 1.00 0.00 H -ATOM 48 OG1 THR 3 -0.273 6.246 4.843 1.00 0.00 O -ATOM 49 HG1 THR 3 0.428 5.750 5.271 1.00 0.00 H -ATOM 50 C THR 3 -2.073 6.882 2.363 1.00 0.00 C -ATOM 51 O THR 3 -2.884 6.685 3.265 1.00 0.00 O -ATOM 52 N TRP 4 -2.414 6.796 1.075 1.00 0.00 N -ATOM 53 H TRP 4 -1.631 6.756 0.439 1.00 0.00 H -ATOM 54 CA TRP 4 -3.689 6.286 0.613 1.00 0.00 C -ATOM 55 HA TRP 4 -4.288 6.020 1.485 1.00 0.00 H -ATOM 56 CB TRP 4 -4.465 7.275 -0.253 1.00 0.00 C -ATOM 57 HB2 TRP 4 -5.450 6.821 -0.366 1.00 0.00 H -ATOM 58 HB3 TRP 4 -4.022 7.162 -1.242 1.00 0.00 H -ATOM 59 CG TRP 4 -4.632 8.723 0.077 1.00 0.00 C -ATOM 60 CD1 TRP 4 -3.902 9.713 -0.483 1.00 0.00 C -ATOM 61 HD1 TRP 4 -3.089 9.553 -1.176 1.00 0.00 H -ATOM 62 NE1 TRP 4 -4.473 10.923 -0.141 1.00 0.00 N -ATOM 63 HE1 TRP 4 -4.136 11.861 -0.306 1.00 0.00 H -ATOM 64 CE2 TRP 4 -5.469 10.746 0.798 1.00 0.00 C -ATOM 65 CZ2 TRP 4 -6.330 11.693 1.365 1.00 0.00 C -ATOM 66 HZ2 TRP 4 -6.276 12.746 1.130 1.00 0.00 H -ATOM 67 CH2 TRP 4 -7.374 11.196 2.154 1.00 0.00 C -ATOM 68 HH2 TRP 4 -8.230 11.822 2.362 1.00 0.00 H -ATOM 69 CZ3 TRP 4 -7.630 9.824 2.259 1.00 0.00 C -ATOM 70 HZ3 TRP 4 -8.379 9.482 2.959 1.00 0.00 H -ATOM 71 CE3 TRP 4 -6.776 8.905 1.638 1.00 0.00 C -ATOM 72 HE3 TRP 4 -6.974 7.872 1.884 1.00 0.00 H -ATOM 73 CD2 TRP 4 -5.703 9.347 0.848 1.00 0.00 C -ATOM 74 C TRP 4 -3.632 4.926 -0.068 1.00 0.00 C -ATOM 75 O TRP 4 -4.279 3.952 0.309 1.00 0.00 O -ATOM 76 N GLU 5 -2.795 4.872 -1.106 1.00 0.00 N -ATOM 77 H GLU 5 -2.278 5.708 -1.339 1.00 0.00 H -ATOM 78 CA GLU 5 -2.535 3.723 -1.950 1.00 0.00 C -ATOM 79 HA GLU 5 -3.007 2.948 -1.346 1.00 0.00 H -ATOM 80 CB GLU 5 -3.413 3.524 -3.183 1.00 0.00 C -ATOM 81 HB2 GLU 5 -3.139 4.141 -4.038 1.00 0.00 H -ATOM 82 HB3 GLU 5 -4.386 3.787 -2.767 1.00 0.00 H -ATOM 83 CG GLU 5 -3.470 2.108 -3.748 1.00 0.00 C -ATOM 84 HG2 GLU 5 -2.447 1.793 -3.953 1.00 0.00 H -ATOM 85 HG3 GLU 5 -4.039 2.425 -4.623 1.00 0.00 H -ATOM 86 CD GLU 5 -4.189 1.123 -2.837 1.00 0.00 C -ATOM 87 OE1 GLU 5 -3.803 0.771 -1.702 1.00 0.00 O -ATOM 88 OE2 GLU 5 -5.263 0.601 -3.207 1.00 0.00 O -ATOM 89 C GLU 5 -1.058 3.518 -2.255 1.00 0.00 C -ATOM 90 O GLU 5 -0.301 4.414 -2.619 1.00 0.00 O -ATOM 91 N ASN 6 -0.668 2.265 -2.009 1.00 0.00 N -ATOM 92 H ASN 6 -1.323 1.656 -1.539 1.00 0.00 H -ATOM 93 CA ASN 6 0.639 1.696 -2.267 1.00 0.00 C -ATOM 94 HA ASN 6 1.239 2.453 -2.772 1.00 0.00 H -ATOM 95 CB ASN 6 1.412 1.366 -0.993 1.00 0.00 C -ATOM 96 HB2 ASN 6 2.224 0.703 -1.291 1.00 0.00 H -ATOM 97 HB3 ASN 6 0.712 0.882 -0.311 1.00 0.00 H -ATOM 98 CG ASN 6 2.154 2.550 -0.391 1.00 0.00 C -ATOM 99 OD1 ASN 6 2.809 3.347 -1.058 1.00 0.00 O -ATOM 100 ND2 ASN 6 2.359 2.519 0.928 1.00 0.00 N -ATOM 101 HD21 ASN 6 1.869 1.897 1.556 1.00 0.00 H -ATOM 102 HD22 ASN 6 3.024 3.196 1.272 1.00 0.00 H -ATOM 103 C ASN 6 0.509 0.488 -3.185 1.00 0.00 C -ATOM 104 O ASN 6 -0.457 -0.250 -3.004 1.00 0.00 O -ATOM 105 N GLY 7 1.463 0.247 -4.087 1.00 0.00 N -ATOM 106 H GLY 7 2.372 0.658 -3.932 1.00 0.00 H -ATOM 107 CA GLY 7 1.399 -0.902 -4.967 1.00 0.00 C -ATOM 108 HA2 GLY 7 2.180 -0.882 -5.728 1.00 0.00 H -ATOM 109 HA3 GLY 7 0.501 -0.799 -5.576 1.00 0.00 H -ATOM 110 C GLY 7 1.448 -2.275 -4.313 1.00 0.00 C -ATOM 111 O GLY 7 0.727 -2.576 -3.364 1.00 0.00 O -ATOM 112 N LYS 8 2.361 -3.118 -4.801 1.00 0.00 N -ATOM 113 H LYS 8 3.080 -2.784 -5.426 1.00 0.00 H -ATOM 114 CA LYS 8 2.541 -4.514 -4.458 1.00 0.00 C -ATOM 115 HA LYS 8 1.627 -5.015 -4.138 1.00 0.00 H -ATOM 116 CB LYS 8 3.123 -5.283 -5.641 1.00 0.00 C -ATOM 117 HB2 LYS 8 2.435 -5.243 -6.486 1.00 0.00 H -ATOM 118 HB3 LYS 8 3.335 -6.318 -5.372 1.00 0.00 H -ATOM 119 CG LYS 8 4.416 -4.746 -6.248 1.00 0.00 C -ATOM 120 HG2 LYS 8 5.308 -4.960 -5.660 1.00 0.00 H -ATOM 121 HG3 LYS 8 4.393 -3.674 -6.439 1.00 0.00 H -ATOM 122 CD LYS 8 4.726 -5.503 -7.536 1.00 0.00 C -ATOM 123 HD2 LYS 8 3.992 -5.272 -8.308 1.00 0.00 H -ATOM 124 HD3 LYS 8 4.584 -6.543 -7.241 1.00 0.00 H -ATOM 125 CE LYS 8 6.148 -5.338 -8.066 1.00 0.00 C -ATOM 126 HE2 LYS 8 6.521 -6.290 -8.444 1.00 0.00 H -ATOM 127 HE3 LYS 8 6.848 -5.025 -7.290 1.00 0.00 H -ATOM 128 NZ LYS 8 6.177 -4.420 -9.214 1.00 0.00 N -ATOM 129 HZ1 LYS 8 6.046 -3.547 -8.722 1.00 0.00 H -ATOM 130 HZ2 LYS 8 7.131 -4.392 -9.546 1.00 0.00 H -ATOM 131 HZ3 LYS 8 5.471 -4.550 -9.925 1.00 0.00 H -ATOM 132 C LYS 8 3.512 -4.519 -3.286 1.00 0.00 C -ATOM 133 O LYS 8 4.624 -5.042 -3.286 1.00 0.00 O -ATOM 134 N TRP 9 2.925 -4.256 -2.116 1.00 0.00 N -ATOM 135 H TRP 9 2.010 -3.879 -2.316 1.00 0.00 H -ATOM 136 CA TRP 9 3.341 -4.262 -0.728 1.00 0.00 C -ATOM 137 HA TRP 9 4.410 -4.045 -0.724 1.00 0.00 H -ATOM 138 CB TRP 9 2.625 -3.068 -0.104 1.00 0.00 C -ATOM 139 HB2 TRP 9 1.589 -3.294 0.148 1.00 0.00 H -ATOM 140 HB3 TRP 9 2.835 -2.194 -0.721 1.00 0.00 H -ATOM 141 CG TRP 9 3.288 -2.462 1.091 1.00 0.00 C -ATOM 142 CD1 TRP 9 2.925 -2.436 2.393 1.00 0.00 C -ATOM 143 HD1 TRP 9 1.949 -2.799 2.678 1.00 0.00 H -ATOM 144 NE1 TRP 9 3.855 -1.845 3.224 1.00 0.00 N -ATOM 145 HE1 TRP 9 3.885 -1.848 4.234 1.00 0.00 H -ATOM 146 CE2 TRP 9 4.827 -1.303 2.408 1.00 0.00 C -ATOM 147 CZ2 TRP 9 5.911 -0.471 2.714 1.00 0.00 C -ATOM 148 HZ2 TRP 9 6.139 -0.156 3.721 1.00 0.00 H -ATOM 149 CH2 TRP 9 6.841 -0.141 1.722 1.00 0.00 C -ATOM 150 HH2 TRP 9 7.725 0.405 2.018 1.00 0.00 H -ATOM 151 CZ3 TRP 9 6.584 -0.590 0.421 1.00 0.00 C -ATOM 152 HZ3 TRP 9 7.231 -0.235 -0.368 1.00 0.00 H -ATOM 153 CE3 TRP 9 5.424 -1.297 0.082 1.00 0.00 C -ATOM 154 HE3 TRP 9 5.139 -1.465 -0.946 1.00 0.00 H -ATOM 155 CD2 TRP 9 4.479 -1.620 1.069 1.00 0.00 C -ATOM 156 C TRP 9 2.945 -5.593 -0.105 1.00 0.00 C -ATOM 157 O TRP 9 3.022 -6.675 -0.682 1.00 0.00 O -ATOM 158 N THR 10 2.531 -5.609 1.164 1.00 0.00 N -ATOM 159 H THR 10 2.711 -4.794 1.731 1.00 0.00 H -ATOM 160 CA THR 10 2.254 -6.874 1.815 1.00 0.00 C -ATOM 161 HA THR 10 2.982 -7.667 1.644 1.00 0.00 H -ATOM 162 CB THR 10 2.207 -6.622 3.320 1.00 0.00 C -ATOM 163 HB THR 10 1.722 -5.667 3.526 1.00 0.00 H -ATOM 164 CG2 THR 10 1.456 -7.659 4.149 1.00 0.00 C -ATOM 165 HG21 THR 10 1.581 -7.464 5.214 1.00 0.00 H -ATOM 166 HG22 THR 10 0.402 -7.468 3.946 1.00 0.00 H -ATOM 167 HG23 THR 10 1.725 -8.640 3.755 1.00 0.00 H -ATOM 168 OG1 THR 10 3.460 -6.501 3.954 1.00 0.00 O -ATOM 169 HG1 THR 10 3.385 -6.097 4.822 1.00 0.00 H -ATOM 170 C THR 10 0.889 -7.354 1.344 1.00 0.00 C -ATOM 171 O THR 10 -0.172 -6.760 1.524 1.00 0.00 O -ATOM 172 N TRP 11 0.906 -8.522 0.699 1.00 0.00 N -ATOM 173 H TRP 11 1.723 -9.115 0.734 1.00 0.00 H -ATOM 174 CA TRP 11 -0.188 -9.066 -0.080 1.00 0.00 C -ATOM 175 HA TRP 11 -0.737 -8.220 -0.495 1.00 0.00 H -ATOM 176 CB TRP 11 0.412 -10.010 -1.117 1.00 0.00 C -ATOM 177 HB2 TRP 11 1.113 -10.710 -0.661 1.00 0.00 H -ATOM 178 HB3 TRP 11 0.887 -9.368 -1.859 1.00 0.00 H -ATOM 179 CG TRP 11 -0.539 -10.928 -1.816 1.00 0.00 C -ATOM 180 CD1 TRP 11 -1.313 -10.686 -2.898 1.00 0.00 C -ATOM 181 HD1 TRP 11 -1.337 -9.764 -3.460 1.00 0.00 H -ATOM 182 NE1 TRP 11 -1.971 -11.786 -3.411 1.00 0.00 N -ATOM 183 HE1 TRP 11 -2.384 -11.864 -4.330 1.00 0.00 H -ATOM 184 CE2 TRP 11 -1.957 -12.763 -2.437 1.00 0.00 C -ATOM 185 CZ2 TRP 11 -2.785 -13.865 -2.191 1.00 0.00 C -ATOM 186 HZ2 TRP 11 -3.631 -14.012 -2.846 1.00 0.00 H -ATOM 187 CH2 TRP 11 -2.600 -14.709 -1.089 1.00 0.00 C -ATOM 188 HH2 TRP 11 -3.315 -15.473 -0.823 1.00 0.00 H -ATOM 189 CZ3 TRP 11 -1.518 -14.345 -0.278 1.00 0.00 C -ATOM 190 HZ3 TRP 11 -1.325 -14.936 0.604 1.00 0.00 H -ATOM 191 CE3 TRP 11 -0.809 -13.146 -0.419 1.00 0.00 C -ATOM 192 HE3 TRP 11 -0.038 -12.834 0.270 1.00 0.00 H -ATOM 193 CD2 TRP 11 -1.034 -12.259 -1.484 1.00 0.00 C -ATOM 194 C TRP 11 -1.079 -9.752 0.946 1.00 0.00 C -ATOM 195 O TRP 11 -0.710 -10.673 1.672 1.00 0.00 O -ATOM 196 N LYS 12 -2.344 -9.326 0.949 1.00 0.00 N -ATOM 197 H LYS 12 -2.456 -8.339 0.770 1.00 0.00 H -ATOM 198 CA LYS 12 -3.470 -9.926 1.636 1.00 0.00 C -ATOM 199 HA LYS 12 -3.097 -10.439 2.522 1.00 0.00 H -ATOM 200 CB LYS 12 -4.384 -8.814 2.142 1.00 0.00 C -ATOM 201 HB2 LYS 12 -5.389 -9.112 2.440 1.00 0.00 H -ATOM 202 HB3 LYS 12 -4.439 -8.009 1.409 1.00 0.00 H -ATOM 203 CG LYS 12 -3.799 -8.092 3.352 1.00 0.00 C -ATOM 204 HG2 LYS 12 -2.889 -7.566 3.064 1.00 0.00 H -ATOM 205 HG3 LYS 12 -3.691 -8.724 4.233 1.00 0.00 H -ATOM 206 CD LYS 12 -4.848 -7.024 3.650 1.00 0.00 C -ATOM 207 HD2 LYS 12 -5.691 -7.411 4.222 1.00 0.00 H -ATOM 208 HD3 LYS 12 -5.130 -6.495 2.740 1.00 0.00 H -ATOM 209 CE LYS 12 -4.108 -6.019 4.529 1.00 0.00 C -ATOM 210 HE2 LYS 12 -3.183 -5.635 4.099 1.00 0.00 H -ATOM 211 HE3 LYS 12 -3.885 -6.553 5.452 1.00 0.00 H -ATOM 212 NZ LYS 12 -4.877 -4.802 4.829 1.00 0.00 N -ATOM 213 HZ1 LYS 12 -5.132 -4.305 3.987 1.00 0.00 H -ATOM 214 HZ2 LYS 12 -5.718 -4.968 5.362 1.00 0.00 H -ATOM 215 HZ3 LYS 12 -4.250 -4.263 5.410 1.00 0.00 H -ATOM 216 C LYS 12 -4.395 -10.778 0.779 1.00 0.00 C -ATOM 217 O LYS 12 -4.483 -11.939 1.172 1.00 0.00 O -ATOM 218 N NME 13 -4.832 -10.202 -0.344 1.00 0.00 N -ATOM 219 H NME 13 -4.647 -9.239 -0.587 1.00 0.00 H -ATOM 220 CH3 NME 13 -5.720 -10.866 -1.277 1.00 0.00 C -ATOM 221 HH31 NME 13 -5.591 -11.946 -1.340 1.00 0.00 H -ATOM 222 HH32 NME 13 -6.757 -10.886 -0.942 1.00 0.00 H -ATOM 223 HH33 NME 13 -5.777 -10.358 -2.240 1.00 0.00 H -TER 224 NME 13 -END