diff --git a/Biopool/APPS/CIF2Seq.cc b/Biopool/APPS/CIF2Seq.cc new file mode 100644 index 0000000..f409a79 --- /dev/null +++ b/Biopool/APPS/CIF2Seq.cc @@ -0,0 +1,128 @@ +/* This file is part of Victor. + + Victor is free software: you can redistribute it and/or modify + it under the terms of the GNU General Public License as published by + the Free Software Foundation, either version 3 of the License, or + (at your option) any later version. + + Victor is distributed in the hope that it will be useful, + but WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the + GNU General Public License for more details. + + You should have received a copy of the GNU General Public License + along with Victor. If not, see . + */ +/** + */ +#include +#include +#include +#include +#include + +using namespace Victor;using namespace Victor::Biopool; + +void sShowHelp() { + cout << "CIF 2 Seq $Revision: 1.0 $ -- converts a CIF file into SEQ\n" + << "(torsion angles) protein structure backbone torsion angles\n" + << " Options: \n" + << "\t-i \t Input CIF file\n" + << "\t-o \t Output to file (default stdout)\n" + << "\t-c \t Chain identifier to read\n" + << "\t--all \t All chains\n" + << "\t-m \t Model number to read (NMR only, default is first model)\n" + << "\t--chi \t Write Chi angles (default false)\n" + << "\t-v \t verbose output\n\n" + << "\tIf both -c and --all are missing, only the first chain is processed.\n\n"; + +} + +int main(int argc, char* argv[]) { + + if (getArg("h", argc, argv)) { + sShowHelp(); + return 1; + } + + string inputFile, outputFile, chainID; + unsigned int modelNum; + bool chi, all; + + getArg("i", inputFile, argc, argv, "!"); + getArg("o", outputFile, argc, argv, "!"); + getArg("c", chainID, argc, argv, "!"); + getArg("m", modelNum, argc, argv, 999); + all = getArg("-all", argc, argv); + chi = getArg("-chi", argc, argv); + + // Check input file + if (inputFile == "!") { + cout << "Missing input file specification. Aborting. (-h for help)" << endl; + return -1; + } + ifstream inFile(inputFile.c_str()); + if (!inFile) + ERROR("Input file not found.", exception); + + + CIFLoader cifL(inFile); + + // Set CIFLoader variables + cifL.setModel(modelNum); + cifL.setNoHAtoms(); + cifL.setNoHetAtoms(); + cifL.setNoSecondary(); + if (!getArg("v", argc, argv)) { + cifL.setNoVerbose(); + } + + + // Check chain args + if ((chainID != "!") && all) { + ERROR("You can use --all or -c, not both", error); + } + // User selected chain + if (chainID != "!") { + if (chainID.size() > 1) + ERROR("You can choose only 1 chain", error); + cifL.setChain(chainID[0]); + }// All chains + else if (all) { + cifL.setAllChains(); + }// First chain + else { + cifL.setChain(cifL.getAllChains()[0]); + } + + // Load the protein object + Protein prot; + prot.load(cifL); + + // Open the proper output stream (file or stdout) + std::ostream* os = &cout; + std::ofstream fout; + if (outputFile != "!") { + fout.open(outputFile.c_str()); + if (!fout) { + ERROR("Could not open file for writing.", exception); + } else { + os = &fout; + } + } + + + Spacer* sp; + for (unsigned int i = 0; i < prot.sizeProtein(); i++) { + + sp = prot.getSpacer(i); + + // Write the sequence + SeqSaver ss(*os); + if (!chi) + ss.setWriteChi(false); + sp->save(ss); + } + + return 0; +} diff --git a/Biopool/APPS/CIF2secondary.cc b/Biopool/APPS/CIF2secondary.cc new file mode 100644 index 0000000..f07dbdb --- /dev/null +++ b/Biopool/APPS/CIF2secondary.cc @@ -0,0 +1,108 @@ +/* This file is part of Victor. + + Victor is free software: you can redistribute it and/or modify + it under the terms of the GNU General Public License as published by + the Free Software Foundation, either version 3 of the License, or + (at your option) any later version. + + Victor is distributed in the hope that it will be useful, + but WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the + GNU General Public License for more details. + + You should have received a copy of the GNU General Public License + along with Victor. If not, see . + */ +/** +@Description */ + +#include +#include +#include +#include +#include + +using namespace Victor;using namespace Victor::Biopool; + +void sShowHelp() { + cout << "CIF 2 Secondary Structure converter\n" + << "\t H = helix, \t E = extended (strand, sheet), \t . = other.\n" + << " Options: \n" + << "\t-i \t\t Input file for CIF structure\n" + << "\n"; +} + +int main(int nArgs, char* argv[]) { + if (getArg("h", nArgs, argv)) { + sShowHelp(); + return 1; + }; + vector allCh; + string chainID = "!"; + string inputFile; + getArg("i", inputFile, nArgs, argv, "!"); + + if (inputFile == "!") { + cout << "Missing file specification. Aborting. (-h for help)" << endl; + return -1; + } + + Spacer *sp; + ifstream inFile(inputFile.c_str()); + if (!inFile) + ERROR("File not found.", exception); + + CIFLoader il(inFile); + il.setNoHAtoms(); + // sp.load(il); + allCh = il.getAllChains(); + for (unsigned int i = 0; i < allCh.size(); i++) + cout << "\t," << allCh[i] << ","; + cout << "\n"; + + /*check on validity of chain: + if user select a chain then check validity + else select first valid one by default*/ + if (chainID != "!") { + bool validChain = false; + for (unsigned int i = 0; i < allCh.size(); i++) { + if (allCh[i] == chainID[0]) { + il.setChain(chainID[0]); + cout << "Loading chain " << chainID << "\n"; + validChain = true; + break; + } + } + if (!validChain) { + cout << "Chain " << chainID << " is not available\n"; + return -1; + } + + } else { + chainID[0] = allCh[0]; + cout << "Using chain " << chainID << "\n"; + } + Protein prot; + prot.load(il); + sp = prot.getSpacer(chainID[0]); + + allCh = il.getAllChains(); + cout << ">" << inputFile << "\n"; + for (unsigned int i = 0; i < sp->sizeAmino(); i++) { + switch (sp->getAmino(i).getState()) { + case HELIX: + cout << "H"; + break; + case STRAND: + cout << "E"; + break; + default: + cout << "."; + }; + if ((i + 1) % 60 == 0) + cout << "\n"; + } + cout << "\n"; + + return 0; +} diff --git a/Biopool/APPS/CIFCorrector.cc b/Biopool/APPS/CIFCorrector.cc new file mode 100644 index 0000000..96edfc3 --- /dev/null +++ b/Biopool/APPS/CIFCorrector.cc @@ -0,0 +1,59 @@ +/* This file is part of Victor. + + Victor is free software: you can redistribute it and/or modify + it under the terms of the GNU General Public License as published by + the Free Software Foundation, either version 3 of the License, or + (at your option) any later version. + + Victor is distributed in the hope that it will be useful, + but WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the + GNU General Public License for more details. + + You should have received a copy of the GNU General Public License + along with Victor. If not, see . + */ + +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include + +using namespace Victor;using namespace Victor::Biopool; + +int main(int nArgs, char* argv[]) { + if (nArgs != 2) { + cout << "CIF Corrector $Revision: 1.0 $ -- adds missing oxygen atoms to " + << "protein structure backbones" << endl; + cout << " Usage: \t\t CIFCorrector \n"; + return 1; + }; + + Spacer sp; + ifstream inFile(argv[1]); + if (!inFile) + ERROR("File not found.", exception); + + CIFLoader CIFL(inFile); + sp.load(CIFL); + + for (unsigned int i = 0; i < sp.sizeAmino(); i++) + sp.getAmino(i).addMissingO(); + + ofstream outFile2(argv[1]); + + if (!outFile2) + ERROR("Couldn't write file.", exception); + + CIFSaver pss2(outFile2); + sp.save(pss2); + + return 0; +} diff --git a/Biopool/APPS/CIFEditor.cc b/Biopool/APPS/CIFEditor.cc new file mode 100644 index 0000000..6380e94 --- /dev/null +++ b/Biopool/APPS/CIFEditor.cc @@ -0,0 +1,86 @@ +/* This file is part of Victor. + + Victor is free software: you can redistribute it and/or modify + it under the terms of the GNU General Public License as published by + the Free Software Foundation, either version 3 of the License, or + (at your option) any later version. + + Victor is distributed in the hope that it will be useful, + but WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the + GNU General Public License for more details. + + You should have received a copy of the GNU General Public License + along with Victor. If not, see . + */ +/** + + */ +#include +#include +#include +#include + +using namespace Victor;using namespace Victor::Biopool; + +int main(int nArgs, char* argv[]) { + if (nArgs != 3) { + cout << "CIF Editor $Revision: 1.0 $ -- allows sequential manipulation of " + << "protein structure backbone torsion angles" << endl; + cout << " Usage: \t\t CIFEditor \n"; + return 1; + }; + + Spacer sp; + ifstream inFile(argv[1]); + if (!inFile) + ERROR("File not found.", exception); + + CIFLoader il(inFile); + sp.load(il); + + cout << "Editing " << argv[1] << " output goes to " << argv[2] << "\n"; + + int aaid = -1; + do { + cout << "Aminoacid# or -1: "; + cin >> aaid; + if (aaid <= -1) { + cout << "Bye.\n"; + return 0; + }; + + if (aaid >= (int) sp.sizeAmino()) { + cout << "\t Invalid aa#!\n"; + } else { + double newVal = 999; + cout << "\t " << aaid << " " << sp.getAmino(aaid).getType() << "\n"; + cout << "Phi= " << sp.getAmino(aaid).getPhi() + << "\t new phi or 999: "; + cin >> newVal; + if (newVal != 999) + sp.getAmino(aaid).setPhi(newVal); + cout << "Psi= " << sp.getAmino(aaid).getPsi() + << "\t new psi or 999: "; + cin >> newVal; + if (newVal != 999) + sp.getAmino(aaid).setPsi(newVal); + cout << "Omega= " << sp.getAmino(aaid).getOmega() + << "\t new omega or 999: "; + cin >> newVal; + if (newVal != 999) + sp.getAmino(aaid).setOmega(newVal); + + ofstream outFile2(argv[2]); + + if (!outFile2) + ERROR("Couldn't write file.", exception); + + CIFSaver pss2(outFile2); + + sp.save(pss2); + }; + } while (aaid != -1); + + return 0; +} diff --git a/Biopool/APPS/CIFMover.cc b/Biopool/APPS/CIFMover.cc new file mode 100644 index 0000000..f58789b --- /dev/null +++ b/Biopool/APPS/CIFMover.cc @@ -0,0 +1,197 @@ +/* This file is part of Victor. + + Victor is free software: you can redistribute it and/or modify + it under the terms of the GNU General Public License as published by + the Free Software Foundation, either version 3 of the License, or + (at your option) any later version. + + Victor is distributed in the hope that it will be useful, + but WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the + GNU General Public License for more details. + + You should have received a copy of the GNU General Public License + along with Victor. If not, see . + */ +/** +@Description */ +#include +#include +#include +#include +#include +#include +#include + +using namespace Victor;using namespace Victor::Biopool; + +const double LAMBDA = 1.5; // minimum distance between neighbouring CAs + +void sShowHelp() { + cout << "CIF Shifter\n" + << "Allows to move all residues in file by fixed offset.\n" + << " Options: \n" + << "\t-i \t\t Input CIF file\n" + << "\t-o \t\t Output CIF file\n" + << "\t[-r ] \t\t Repeat unit length (default = no rotation)\n" + << "\t[-l ] \t\t Angle lambda factor (default = 0.1)\n" + << "\t[-s ] \t\t Start residue of fragment (default = first)\n" + << "\t[-e ] \t\t End residue of fragment (default = last)\n" + << "\n"; +} + +void sAddLine() { + cout << "-x-x-x-x-x-x-x-x-x-x-x-x-x-x-x-x-x-x-x-x-x-x-x-x-x-x-x-x-x-x-x-x-x-\n"; +} + +int main(int nArgs, char* argv[]) { + // -------------------------------------------------- + // 0. treat options + // -------------------------------------------------- + + if (getArg("h", nArgs, argv)) { + sShowHelp(); + return 1; + }; + + string inputFile, outputFile; + unsigned int startOffset, endOffset, repeatLength; + double lambdaAngle; + + getArg("i", inputFile, nArgs, argv, "!"); + getArg("o", outputFile, nArgs, argv, "!"); + getArg("s", startOffset, nArgs, argv, 0); + getArg("e", endOffset, nArgs, argv, 9999); + getArg("r", repeatLength, nArgs, argv, 9999); + getArg("l", lambdaAngle, nArgs, argv, 0.1); + + vgVector3 transOff; + for (unsigned int i = 0; i < 3; i++) + transOff[i] = 0.0; + + if ((inputFile == "!") || (outputFile == "!")) { + cout << "Missing file specification. Aborting. (-h for help)" << endl; + return -1; + } + + // -------------------------------------------------- + // 1. read structure + // -------------------------------------------------- + + Spacer sp; + + ifstream inFile(inputFile.c_str()); + + if (!inFile) + ERROR("File does not exist.\n", exception); + + CIFLoader CIFL(inFile); + + sp.load(CIFL); + inFile.close(); + + + endOffset = sp.getIndexFromPdbNumber(endOffset); + if (startOffset > 0) + startOffset = sp.getIndexFromPdbNumber(startOffset); + + // -------------------------------------------------- + // 2. rotate spacer + // -------------------------------------------------- + + if (repeatLength < 9999) { + IntCoordConverter icc; + + // find offset + vgVector3 firstA = sp.getAmino(endOffset + - (3 * repeatLength / 4))[CA].getCoords() + - sp.getAmino(endOffset)[CA].getCoords(); + + vgVector3 firstB = sp.getAmino(endOffset + - (1 * repeatLength / 4))[CA].getCoords() + - sp.getAmino(endOffset)[CA].getCoords(); + + vgVector3 firstNorm = (firstA.normalize()).cross(firstB.normalize()); + + vgVector3 secondA = sp.getAmino(endOffset + repeatLength + - (3 * repeatLength / 4))[CA].getCoords() + - sp.getAmino(endOffset)[CA].getCoords(); + + vgVector3 secondB = sp.getAmino(endOffset + repeatLength + - (1 * repeatLength / 4))[CA].getCoords() + - sp.getAmino(endOffset)[CA].getCoords(); + + vgVector3 secondNorm = (secondA.normalize()).cross(secondB.normalize()); + + firstNorm.normalize(); + secondNorm.normalize(); + + double scalar = icc.getAngle(firstNorm, secondNorm) * lambdaAngle; + + cout << "Scalar = " << setw(5) << setprecision(3) + << RAD2DEG * scalar / lambdaAngle << "\n"; + + + vgVector3 axis = (firstNorm.normalize()).cross(secondNorm.normalize()); + vgMatrix3 res = vgMatrix3::createRotationMatrix(axis, scalar); + + sp.getAmino(startOffset)[N].addRot(res); + } + + // -------------------------------------------------- + // 3. translate spacer + // -------------------------------------------------- + + if (endOffset < sp.sizeAmino() - 1) { + sp.getAmino(endOffset).unbindOut(sp.getAmino(endOffset + 1)); + sp.getAmino(endOffset)[C].unbindOut(sp.getAmino(endOffset + 1)[N]); + + // find offset + vgVector3 first = sp.getAmino(endOffset)[C].getCoords(); + vgVector3 second = sp.getAmino(endOffset + 1)[N].getCoords(); + + double d = sp.getAmino(endOffset)[C].distance( + sp.getAmino(endOffset + 1)[N]); + + double frac = (d - LAMBDA) / d; + + for (unsigned int i = 0; i < 3; i++) + transOff[i] = (second[i] - first[i]) * frac; + } else { + if (startOffset != 0) + ERROR("Both start and end offset are undefined.", exception); + + endOffset = sp.sizeAmino() - 1; + + // NB: unbind has to be reversed after moving the atoms if the model + // is to be used further in the same program + sp.getAmino(startOffset - 1).unbindOut(sp.getAmino(startOffset)); + sp.getAmino(startOffset - 1)[C].unbindOut(sp.getAmino(startOffset)[N]); + + // find offset + vgVector3 first = sp.getAmino(startOffset + 1)[N].getCoords(); + vgVector3 second = sp.getAmino(startOffset)[C].getCoords(); + + double d = sp.getAmino(startOffset + 1)[N].distance( + sp.getAmino(startOffset)[C]); + + double frac = (d - LAMBDA) / d; + + for (unsigned int i = 0; i < 3; i++) + transOff[i] = (second[i] - first[i]) * frac; + } + + sp.getAmino(startOffset)[N].addTrans(transOff); + + // -------------------------------------------------- + // 4. write model to disk + // -------------------------------------------------- + + ofstream outFile(outputFile.c_str()); + if (!outFile) + ERROR("File not found.", exception); + CIFSaver ps(outFile); + + sp.save(ps); + outFile.close(); +} diff --git a/Biopool/APPS/CIFPDBConverter.cc b/Biopool/APPS/CIFPDBConverter.cc new file mode 100644 index 0000000..016fccd --- /dev/null +++ b/Biopool/APPS/CIFPDBConverter.cc @@ -0,0 +1,133 @@ +/* This file is part of Victor. + + Victor is free software: you can redistribute it and/or modify + it under the terms of the GNU General Public License as published by + the Free Software Foundation, either version 3 of the License, or + (at your option) any later version. + + Victor is distributed in the hope that it will be useful, + but WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the + GNU General Public License for more details. + + You should have received a copy of the GNU General Public License + along with Victor. If not, see . + */ +/** + */ +#include +#include +#include +#include +#include +#include +#include + +#include +#include +#include +#include +#include +#include +#include + +using namespace std; +using namespace Victor; +using namespace Victor::Biopool; + +void sShowHelp() { + cout << "CIF PDB Converter $Revision: 1.0 $ -- converts a CIF file into a PDB file and vice versa." << endl + << "Options:" << endl + << "\t-i \t Input file" << endl + << "\t-o \t Output file"; +} + +int main(int argc, char* argv[]) { + + if (getArg("h", argc, argv)) { + sShowHelp(); + return 1; + } + + string inputFile, outputFile; + + getArg("i", inputFile, argc, argv, "!"); + getArg("o", outputFile, argc, argv, "!"); + + // Check input file + if (inputFile == "!") { + cout << "Missing input file specification. Aborting. (-h for help)" << endl; + return -1; + } + ifstream inFile(inputFile.c_str()); + if (!inFile) + ERROR("Input file not found.", exception); + + // Check output file + if (outputFile == "!") { + cout << "Missing output file specification. Aborting. (-h for help)" << endl; + return -1; + } + + inputFile = Trim(inputFile); + outputFile = Trim(outputFile); + + string inExt = inputFile.substr((inputFile.size()-3),3); + string outExt = outputFile.substr((outputFile.size()-3),3); + + transform(inExt.begin(), inExt.end(), inExt.begin(), ::toupper); + transform(outExt.begin(), outExt.end(), outExt.begin(), ::toupper); + + if (inExt != "CIF" && inExt != "PDB") + { + cout << "Invalid input file format." << endl; + return -1; + } + + if (outExt != "CIF" && outExt != "PDB") + { + cout << "Invalid output file format." << endl; + return -1; + } + + if (inExt == outExt) + { + cout << "No conversion needed." << endl; + return 0; + } + + Loader* l; + Saver* s; + ofstream out(outputFile.c_str()); + if (!out) + { + ERROR("Output file not created.", exception); + } + + + if (inExt == "CIF") + { + l = new CIFLoader(inFile); + } + else + { + l = new PdbLoader(inFile); + } + + // Load the protein object + Protein prot; + prot.load(*l); + + if (outExt == "CIF") + { + s = new CIFSaver(out); + } + else + { + s = new PdbSaver(out); + } + + prot.save(*s); + + return 0; +} diff --git a/Biopool/APPS/CIFSecondary.cc b/Biopool/APPS/CIFSecondary.cc new file mode 100644 index 0000000..10941f6 --- /dev/null +++ b/Biopool/APPS/CIFSecondary.cc @@ -0,0 +1,222 @@ +/* This file is part of Victor. + + Victor is free software: you can redistribute it and/or modify + it under the terms of the GNU General Public License as published by + the Free Software Foundation, either version 3 of the License, or + (at your option) any later version. + + Victor is distributed in the hope that it will be useful, + but WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the + GNU General Public License for more details. + + You should have received a copy of the GNU General Public License + along with Victor. If not, see . + */ +/** +@Description */ +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include + +using namespace Victor;using namespace Victor::Biopool; + +void sShowHelp() { + cout << "CIF Secondary $Revision: 1.0 $ -- calculate the secondary structure\n" + << "(torsion angles) protein structure backbone torsion angles\n" + << "\tOptions: \n" + << "\t-i \t Input CIF file\n" + << "\t-o \t Output to file(the chain letter is appended)\n" + << "\t-c \t Chain identifier to read(default is all chains)\n" + << "\t-m \t Model number to read (NMR only, default is first model)\n" + << "\t-s <1,2,3> \t SS calculation(default 3): 1 = CIF fields, 2 = torsion angles, 3 = DSSP\n" + << "\t \t 1,2:\t H = helix, E = extended(strand,sheet), . = other.\n" + << "\t \t 3:\t H = alpha-helix, E = sheet, B = bridge,\n" + << "\t \t G = 3-10-helix, I = pi-helix, T = n-Turn, S = bend\n" + << "\t--ext \t Extended output (default false). Write the type of aminoacid:\n" + << "\t \t N = negative charge, \t P = positive charge\n" + << "\t \t h = hydrophilic, \t + = hydrophobic\n" + << "\t \t , = neutral (hydrophobic)\n" + << "\t-v \t verbose output\n\n" + << "\tWhen parsing multiple chains, one file for each chain is created\n\n"; +} + +void writeOutput(Spacer* sp, bool ext, int ssType, ostream& os) { + + if (ext) { + for (unsigned int i = 0; i <= sp->sizeAmino(); i++) { + if ((i + 1) % 10 == 0) + os << setw(1) << (((i + 1) % 100) / 10); + else + os << " "; + if ((i + 1) % 60 == 0) + os << "\n"; + } + os << "\n"; + + for (unsigned int i = 0; i < sp->sizeAmino(); i++) { + os << sp->getAmino(i).getType1L(); + if ((i + 1) % 60 == 0) + os << "\n"; + } + os << "\n"; + for (unsigned int i = 0; i < sp->sizeAmino(); i++) { + switch (sp->getAmino(i).getCode()) { + case ASP: + case GLU: + os << "P"; + break; + case LYS: + case ARG: + os << "N"; + break; + case ASN: + case GLN: + case SER: + case THR: + case HIS: + os << "h"; + break; + case VAL: + case LEU: + case ILE: + os << "+"; + break; + default: + os << ","; + }; + if ((i + 1) % 60 == 0) + os << "\n"; + } + os << "\n"; + } + if (ssType != 3) { + for (unsigned int i = 0; i < sp->sizeAmino(); i++) { + switch (sp->getAmino(i).getState()) { + case HELIX: + os << "H"; + break; + case STRAND: + os << "E"; + break; + default: + os << "."; + }; + if ((i + 1) % 60 == 0) + os << "\n"; + } + } else { + vector > ss = sp->getDSSP(); + for (unsigned int i = 0; i < ss.size(); i++) { + if (!ss[i].empty()) { + for (set ::iterator it = ss[i].begin(); it != ss[i].end(); ++it) { + os << (*it); + } + } else { + os << "."; + } + if ((i + 1) % 60 == 0) + os << "\n"; + } + } + os << "\n"; +} + +int main(int argc, char* argv[]) { + + if (getArg("h", argc, argv)) { + sShowHelp(); + return 1; + } + + string inputFile, outputFile, chainID; + unsigned int modelNum; + unsigned int ssType; + bool extendedOutput, all; + + + getArg("i", inputFile, argc, argv, "!"); + getArg("o", outputFile, argc, argv, "!"); + getArg("c", chainID, argc, argv, "!"); + getArg("m", modelNum, argc, argv, 999); + getArg("s", ssType, argc, argv, 3); + all = getArg("-all", argc, argv); + extendedOutput = getArg("-ext", argc, argv); + + + + + // Check input file + if (inputFile == "!") { + cout << "Missing input file specification. Aborting. (-h for help)" << endl; + return -1; + } + ifstream inFile(inputFile.c_str()); + if (!inFile) + ERROR("Input file not found.", exception); + + + CIFLoader CIFL(inFile); + + // Set CIFLoader variables + CIFL.setModel(modelNum); + CIFL.setNoHetAtoms(); + + if (!getArg("v", argc, argv)) { + CIFL.setNoVerbose(); + } + + // Check chain args + if ((chainID != "!") && all) { + ERROR("You can use --all or -c, not both", error); + } + // User selected chain + if (chainID != "!") { + if (chainID.size() > 1) + ERROR("You can choose only 1 chain", error); + CIFL.setChain(chainID[0]); + }// All chains + else if (all) { + CIFL.setAllChains(); + }// First chain + else { + CIFL.setChain(CIFL.getAllChains()[0]); + } + + // Load the protein object + Protein prot; + prot.load(CIFL); + + // Open the proper output stream (file or stdout) + std::ostream* os = &cout; + std::ofstream fout; + if (outputFile != "!") { + fout.open(outputFile.c_str()); + if (!fout) { + ERROR("Could not open file for writing.", exception); + } else { + os = &fout; + } + } + + + + Spacer* sp; + for (unsigned int i = 0; i < prot.sizeProtein(); i++) { + + sp = prot.getSpacer(i); + writeOutput(sp, extendedOutput, ssType, (*os)); + } + + return 0; +} diff --git a/Biopool/APPS/CIFshifter.cc b/Biopool/APPS/CIFshifter.cc new file mode 100644 index 0000000..bf50dac --- /dev/null +++ b/Biopool/APPS/CIFshifter.cc @@ -0,0 +1,136 @@ +/* This file is part of Victor. + + Victor is free software: you can redistribute it and/or modify + it under the terms of the GNU General Public License as published by + the Free Software Foundation, either version 3 of the License, or + (at your option) any later version. + + Victor is distributed in the hope that it will be useful, + but WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the + GNU General Public License for more details. + + You should have received a copy of the GNU General Public License + along with Victor. If not, see . + */ +/** +@Description */ +#include +#include +#include +#include + +using namespace Victor;using namespace Victor::Biopool; + +void sShowHelp() { + cout << "CIF Shifter\n" + << "Allows to shift all residues in file by fixed offset.\n" + << " Options: \n" + << "\t-i \t\t Input CIF file\n" + << "\t-o \t\t Output CIF file\n" + << "\t[-p ] \t\t Positive *residue* offset\n" + << "\t[-n ] \t\t Negative *residue* offset\n" + << "\t[-P ] \t\t Positive *atom* offset\n" + << "\t[-N ] \t\t Negative *atom* offset\n" + << "\t[--nohydrogen] \t\t Skip hydrogen atoms\n" + << "\t[--renum] \t\t Reset residue numbering starting from 1\n" + << "\n"; +} + +void sAddLine() { + cout << "-x-x-x-x-x-x-x-x-x-x-x-x-x-x-x-x-x-x-x-x-x-x-x-x-x-x-x-x-x-x-x-x-x-\n"; +} + +void sRenumberAtoms(Spacer& sp) { + unsigned int counter = 1; + for (unsigned int i = 0; i < sp.sizeAmino(); i++) + for (unsigned int j = 0; j < sp.getAmino(i).size(); j++) { + sp.getAmino(i)[j].setNumber(counter); + counter++; + } +} + +int main(int nArgs, char* argv[]) { + // -------------------------------------------------- + // 0. treat options + // -------------------------------------------------- + + if (getArg("h", nArgs, argv)) { + sShowHelp(); + return 1; + }; + + string inputFile, outputFile; + int offset, offsetAtom, tmp; + getArg("i", inputFile, nArgs, argv, "!"); + getArg("o", outputFile, nArgs, argv, "!"); + + getArg("p", offset, nArgs, argv, 0); + getArg("n", tmp, nArgs, argv, 0); + offset -= tmp; + getArg("P", offsetAtom, nArgs, argv, 0); + getArg("N", tmp, nArgs, argv, 0); + offsetAtom -= tmp; + + bool noHydrogen = getArg("-nohydrogen", nArgs, argv); + bool renumber = getArg("-renum", nArgs, argv); + + if ((inputFile == "!") || (outputFile == "!")) { + cout << "Missing file specification. Aborting. (-h for help)" << endl; + return -1; + } + + if ((offset == 0) && (!renumber) && (!noHydrogen)) { + cout << "Warning: Offset is zero. Mistake? \n"; + } + // -------------------------------------------------- + // 1. read structure + // -------------------------------------------------- + + Spacer sp; + + ifstream inFile(inputFile.c_str()); + + if (!inFile) + ERROR("File does not exist.\n", exception); + + CIFLoader pl(inFile); + + if (noHydrogen) + pl.setNoHAtoms(); + + sp.load(pl); + inFile.close(); + + // -------------------------------------------------- + // 1.1 renumber residues (if necessary) + // -------------------------------------------------- + + if (renumber) { + cout << "Renumbering...\n"; + sp.setStartOffset(1); + sp.removeAllGaps(); + sRenumberAtoms(sp); + } + + // -------------------------------------------------- + // 2. shift offset + // -------------------------------------------------- + + sp.setStartOffset(offset + sp.getStartOffset()); + + if (offsetAtom != 0) + sp.setAtomStartOffset(offsetAtom + sp.getAtomStartOffset()); + + // -------------------------------------------------- + // 3. write model to disk + // -------------------------------------------------- + + ofstream outFile(outputFile.c_str()); + if (!outFile) + ERROR("File not found.", exception); + CIFSaver ps(outFile); + + sp.save(ps); + outFile.close(); +} diff --git a/Biopool/APPS/Makefile b/Biopool/APPS/Makefile index cb26b82..21ddd36 100644 --- a/Biopool/APPS/Makefile +++ b/Biopool/APPS/Makefile @@ -26,17 +26,20 @@ INC_PATH = -I. -I../../tools/ -I../../Biopool/Sources -I../../Energy/Sources -I. # Objects and headers # -SOURCES = PdbCorrector.cc PdbSecondary.cc PdbEditor.cc Pdb2Seq.cc pdb2secondary.cc pdbshifter.cc \ - pdbMover.cc +SOURCES = PdbCorrector.cc PdbSecondary.cc PdbEditor.cc Pdb2Seq.cc pdb2secondary.cc pdbshifter.cc pdbMover.cc \ + CIF2Seq.cc CIF2secondary.cc CIFCorrector.cc CIFEditor.cc CIFMover.cc CIFSecondary.cc CIFshifter.cc CIFPDBConverter.cc OBJECTS = PdbCorrector.o PdbSecondary.o PdbEditor.o Pdb2Seq.o pdb2secondary.o pdbshifter.o \ - pdbMover.o + pdbMover.o \ + CIF2Seq.o CIF2secondary.o CIFCorrector.o CIFEditor.o CIFMover.o CIFSecondary.o CIFshifter.o CIFPDBConverter.o TARGETS = PdbCorrector PdbSecondary PdbEditor Pdb2Seq pdb2secondary pdbshifter \ - pdbMover + pdbMover \ + CIF2Seq CIF2secondary CIFCorrector CIFEditor CIFMover CIFSecondary CIFshifter CIFPDBConverter EXECS = PdbCorrector PdbSecondary PdbEditor Pdb2Seq pdb2secondary pdbshifter \ - pdbMover + pdbMover \ + CIF2Seq CIF2secondary CIFCorrector CIFEditor CIFMover CIFSecondary CIFshifter CIFPDBConverter LIBRARY = APPSlibBiopool.a diff --git a/Biopool/Sources/Atom.cc b/Biopool/Sources/Atom.cc index ebc2f10..e8fee7c 100644 --- a/Biopool/Sources/Atom.cc +++ b/Biopool/Sources/Atom.cc @@ -78,8 +78,6 @@ Atom::distance(Atom& other) { // MODIFIERS: - - /** * Set the 3D coordinates of the Atom * @param X, Y and Z (double) @@ -133,6 +131,7 @@ Atom::copy(const Atom& orig) { type = orig.type; coords = orig.coords; Bfac = orig.Bfac; + Occupancy = orig.Occupancy; trans = orig.trans; rot = orig.rot; diff --git a/Biopool/Sources/Atom.h b/Biopool/Sources/Atom.h index 3df6f47..351fc26 100644 --- a/Biopool/Sources/Atom.h +++ b/Biopool/Sources/Atom.h @@ -53,6 +53,10 @@ namespace Victor { namespace Biopool { double getBFac() { return Bfac; } + + double getOccupancy(){ + return Occupancy; + } double distance(Atom& other); @@ -83,6 +87,10 @@ namespace Victor { namespace Biopool { void setBFac(double _b) { Bfac = _b; } + + void setOccupancy(double _o){ + Occupancy = _o; + } void setTrans(vgVector3 t); void addTrans(vgVector3 t); @@ -117,6 +125,7 @@ namespace Victor { namespace Biopool { vgVector3 coords; // xyz-Coords double Bfac; // B-factor + double Occupancy; // Occupancy vgVector3 trans; // relative translation vgMatrix3 rot; // relative rotation diff --git a/Biopool/Sources/CIFDescriptor.h b/Biopool/Sources/CIFDescriptor.h new file mode 100644 index 0000000..caf74a8 --- /dev/null +++ b/Biopool/Sources/CIFDescriptor.h @@ -0,0 +1,59 @@ +/* This file is part of Victor. + + Victor is free software: you can redistribute it and/or modify + it under the terms of the GNU General Public License as published by + the Free Software Foundation, either version 3 of the License, or + (at your option) any later version. + + Victor is distributed in the hope that it will be useful, + but WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the + GNU General Public License for more details. + + You should have received a copy of the GNU General Public License + along with Victor. If not, see . + */ + +/* + * File: CIFDescriptor.h + * Author: Francesco Menniti + * + * Created on 18 dicembre 2015, 16.01 + * This file contains some CIF names. + */ + +#ifndef CIFDESCRIPTOR_H +#define CIFDESCRIPTOR_H + +using namespace std; + +const string AtomSite = "atom_site"; +const string SheetSite = "struct_sheet_range"; +const string HelixSite = "struct_conf"; + +const string LoopStart = "loop_"; + +const string AtomID = "id"; +const string AtomPDBModelNumber = "pdbx_PDB_model_num"; +const string AtomChainID = "auth_asym_id"; +const string AtomGroupPDB = "group_PDB"; +const string AtomSeqID = "auth_seq_id"; +const string AtomInsCode = "pdbx_PDB_ins_code"; +const string AtomX = "Cartn_x"; +const string AtomY = "Cartn_y"; +const string AtomZ = "Cartn_z"; +const string AtomBFact = "B_iso_or_equiv"; +const string AtomName = "auth_atom_id"; +const string AtomResidueName = "auth_comp_id"; +const string AtomOccupancy = "occupancy"; + +const string SheetStart = "beg_auth_seq_id"; +const string SheetEnd = "end_auth_seq_id"; +const string SheetCode = "beg_auth_asym_id"; + +const string HelixStart = "beg_auth_seq_id"; +const string HelixEnd = "end_auth_seq_id"; +const string HelixCode = "beg_auth_asym_id"; + +#endif /* CIFDESCRIPTOR_H */ + diff --git a/Biopool/Sources/CIFFileManager.cc b/Biopool/Sources/CIFFileManager.cc new file mode 100644 index 0000000..f158ba8 --- /dev/null +++ b/Biopool/Sources/CIFFileManager.cc @@ -0,0 +1,102 @@ +/* This file is part of Victor. + + Victor is free software: you can redistribute it and/or modify + it under the terms of the GNU General Public License as published by + the Free Software Foundation, either version 3 of the License, or + (at your option) any later version. + + Victor is distributed in the hope that it will be useful, + but WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the + GNU General Public License for more details. + + You should have received a copy of the GNU General Public License + along with Victor. If not, see . + */ + +/* + * File: CIFFileManager.cc + * Author: Francesco Menniti + * + * Created on 1 dicembre 2015, 9.52 + */ + +#include + +using namespace std; +using namespace Victor; +using namespace Victor::Biopool; + +void CIFFileManager::Init() { + + //PrintOut("CIFFileManager::Init"); + + input.clear(); // reset file to previous content + input.seekg(0); + + while (input) { + string atomLine = readLine(input, false); + + if (StartsWith(atomLine, LoopStart)) + { + CIFLoop temp = processLoop(); + if(temp.GetCategoryGroup() == AtomSite) + AtomLoop = temp; + else if(temp.GetCategoryGroup() == SheetSite) + SheetLoop = temp; + else if(temp.GetCategoryGroup() == HelixSite) + HelixLoop = temp; + else + OtherLoops.push_back(temp); + } + else + { + if(StartsWith(atomLine, "_")) + processLine(atomLine.substr(1)); + } + } +} + +void CIFFileManager::processLine(string line){ + string key = Trim(SplitOnSpace(line)[0]); + string value = Trim(line.substr(key.size())); + inLineValues[key] = value; +} + +CIFLoop CIFFileManager::processLoop() { + + //PrintOut("CIFFileManager::processLoop"); + + string atomLine = readLine(input, false); + if (atomLine.at(0) != '_') { + ERROR("Loop don't start with _[definition]", exception); + } + + CIFLoop* result = new CIFLoop(CIFLoop::DecodeCategory(atomLine)); + + while (input) { + + if (atomLine.at(0) == '_') { + result->AddColumn(atomLine); + } else { + if (atomLine.at(0) == '#') + { + return *result; + } + else + { + result->AddRow(atomLine); + } + } + + atomLine = readLine(input, false); + } + + return *result; + +} + +string CIFFileManager::GetInLineValue(string key){ + return inLineValues[key]; +} + diff --git a/Biopool/Sources/CIFFileManager.h b/Biopool/Sources/CIFFileManager.h new file mode 100644 index 0000000..145191d --- /dev/null +++ b/Biopool/Sources/CIFFileManager.h @@ -0,0 +1,122 @@ +/* This file is part of Victor. + + Victor is free software: you can redistribute it and/or modify + it under the terms of the GNU General Public License as published by + the Free Software Foundation, either version 3 of the License, or + (at your option) any later version. + + Victor is distributed in the hope that it will be useful, + but WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the + GNU General Public License for more details. + + You should have received a copy of the GNU General Public License + along with Victor. If not, see . + */ + +/* + * File: CIFFileManager.h + * Author: Francesco Menniti + * + * Created on 1 dicembre 2015, 9.52 + */ + +#ifndef CIFFILEMANAGER_H +#define CIFFILEMANAGER_H + +#include +#include +#include +#include +#include +#include + +namespace Victor { + namespace Biopool { + + /**@brief This class read the information of the CIF file. After the init process all the information are stored in the CIFFileManager object. + */ + class CIFFileManager { + public: + + /** + * Constructor with the stream of the CIF file to parse + * @param _input The CIF file to parse + */ + CIFFileManager(istream& _input):input(_input){} + + /** + * Standard copier + */ + CIFFileManager(const CIFFileManager& orig); + + /** + * This method return the value of one of non loop property in the CIF file + * + * @param key The name of the property to get + * @return the value of the input key + */ + string GetInLineValue(string key); + + /** + * This method start the parsing of the CIF file. After this operation the file information are stored in the CIFFileManager object. + * Remark: call this method before any other operation. + */ + void Init(); + + /** + * Store all the loops different from Atom, Helix and Sheet loop. + */ + vector OtherLoops; + + /** + * Store the information about the atom sequences + */ + CIFLoop AtomLoop; + + /** + * Store details about the backbone conformation of a segment of polymer. + */ + CIFLoop HelixLoop; + + /** + * Store details about the residue ranges that form a beta sheet. + */ + CIFLoop SheetLoop; + + private: + /** + * Standard constructor + */ + CIFFileManager(); + + /** + * Parse all the information abaout a single loop. + * + * @return The loop parsed. + */ + CIFLoop processLoop(); + + /** + * Parse a single line of the CIF file. This method process the non loop information of the CIF file. + * Add the parsed information in the inLineValues HashMap. + * + * @param line the line to parse + */ + void processLine(string line); + + /** + * Store the inLine information of the CIF file. + */ + map inLineValues; + + /** + * The CIF file to parse + */ + istream& input; + + }; + } +} +#endif /* CIFFILEMANAGER_H */ + diff --git a/Biopool/Sources/CIFLoader.cc b/Biopool/Sources/CIFLoader.cc new file mode 100644 index 0000000..4089000 --- /dev/null +++ b/Biopool/Sources/CIFLoader.cc @@ -0,0 +1,547 @@ +/* This file is part of Victor. + + Victor is free software: you can redistribute it and/or modify + it under the terms of the GNU General Public License as published by + the Free Software Foundation, either version 3 of the License, or + (at your option) any later version. + + Victor is distributed in the hope that it will be useful, + but WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the + GNU General Public License for more details. + + You should have received a copy of the GNU General Public License + along with Victor. If not, see . + */ + +// Includes: +#include +#include + +using namespace std; +using namespace Victor; +using namespace Victor::Biopool; + +CIFLoader::CIFLoader(istream& _input, bool _permissive, bool _noHAtoms, + bool _noHetAtoms, bool _noSecondary, bool _noConnection, bool _noWater, + bool _verb, bool _allChains, string _NULL, bool _onlyMetal, + bool _noNucleotideChains) +: input(_input), permissive(_permissive), valid(true), +noHAtoms(_noHAtoms), noHetAtoms(_noHetAtoms), noSecondary(_noSecondary), +noConnection(_noConnection), noWater(_noWater), verbose(_verb), +allChains(_allChains), chain(' '), model(999), altAtom('A'), helixCode(_NULL), +sheetCode(_NULL), onlyMetalHetAtoms(_onlyMetal), noNucleotideChains(_noNucleotideChains) { + //PrintOut("CIFLoader()"); + cifFM = new CIFFileManager(_input); + cifFM->Init(); +} + +unsigned int CIFLoader::getMaxModels() { + + unsigned int max = 1; + + for (int i = 0; i < cifFM->AtomLoop.RowsCount(); i++) { + if (cifFM->AtomLoop.GetCellValueTrim(AtomGroupPDB, i) == "ATOM") { + unsigned int temp = stouiDEF(cifFM->AtomLoop.GetCellValueTrim(AtomPDBModelNumber, i)); + if (temp > max) + max = temp; + } + + } + + return max; +} + +void CIFLoader::checkAndSetChain() { + vector chainList = getAllChains(); + if (chain != ' ') { + bool validChain = false; + for (unsigned int i = 0; i < chainList.size(); i++) + if (chain == chainList[i]) { + validChain = true; + break; + } + if (validChain == false) { + ERROR("Please check CHAIN id. This is not valid", exception); + } + } else + chain = chainList[0]; //the first valid chain is default choice +} + +void CIFLoader::checkModel() { + if ((model != 999)&&(model > getMaxModels())) { + ERROR("Please check MODEL number", exception); + } +} + +vector CIFLoader::getAllChains() { + + //PrintOut("CIFLoader::getAllChains()"); + vector res; + char last = ' '; + + for (int i = 0; i < cifFM->AtomLoop.RowsCount(); i++) { + int modelNumber = stoiDEF(cifFM->AtomLoop.GetCellValueTrim(AtomPDBModelNumber, i)); + if (modelNumber > 1) + break; + + if (cifFM->AtomLoop.GetCellValueTrim(AtomGroupPDB, i) == "ATOM") { + char current = (cifFM->AtomLoop.GetCellValueTrim(AtomChainID, i).c_str())[0]; + + if (current != last) { + last = current; + res.push_back(current); + } + } + } + + return res; + +} + +bool CIFLoader::setBonds(Spacer& sp) { + //cout << sp.getAmino(0).getType1L() << "\n"; + sp.getAmino(0).setBondsFromPdbCode(true); + for (unsigned int i = 1; i < sp.size(); i++) { + //cout << sp.getAmino(i).getType1L() << "\n"; + if (!sp.getAmino(i).setBondsFromPdbCode(true, &(sp.getAmino(i - 1)))) + return false; + } + return true; +} + +bool CIFLoader::inSideChain(const AminoAcid& aa, const Atom& at) { + if (isBackboneAtom(at.getCode())) + return false; + + if ((at.getType() == "H") || (at.getType() == "HN") + || ((at.getType() == "HA") && (!aa.isMember(HA))) + || (at.getType() == "1HA") || (at.getType() == "1H") + || (at.getType() == "2H") || (at.getType() == "3H")) + return false; // special case for GLY H (code HA) + + return true; // rest of aminoacid is its sidechain +} + +void CIFLoader::assignSecondary(Spacer& sp) { + if (helixData.size() + sheetData.size() == 0) { + sp.setStateFromTorsionAngles(); + return; + } + + for (unsigned int i = 0; i < helixData.size(); i++) { + if (helixCode[i] == chain) { + for (int j = helixData[i].first; j <= const_cast (helixData[i].second); j++) { + // important: keep ifs separated to avoid errors + if (j < sp.maxPdbNumber()) + if (!sp.isGap(sp.getIndexFromPdbNumber(j))) + sp.getAmino(sp.getIndexFromPdbNumber(j)).setState(HELIX); + } + } + } + + for (unsigned int i = 0; i < sheetData.size(); i++) + if (sheetCode[i] == chain) + for (int j = sheetData[i].first; j <= const_cast (sheetData[i].second); j++) { + // important: keep ifs separated to avoid errors + if (j < sp.maxPdbNumber()) + if (!sp.isGap(sp.getIndexFromPdbNumber(j))) + sp.getAmino(sp.getIndexFromPdbNumber(j)).setState(STRAND); + } +} + +//setOnlyMetalHetAtoms +void CIFLoader::setOnlyMetalHetAtoms() { + if (noHetAtoms) { + ERROR("can't load metal ions if hetAtoms option is disabled", exception); + } + + onlyMetalHetAtoms = true; + noWater = true; +} + +//setWater +void CIFLoader::setWater() { + if (noHetAtoms || onlyMetalHetAtoms) { + ERROR("can't load water if hetAtoms option is disabled\nor onlyMetalHetAtoms is enabled", exception); + } + noWater = false; +} + +void CIFLoader::loadProtein(Protein& prot) { + PRINT_NAME; + + vector chainList = getAllChains(); + + if (chainList.size() == 0) { + if (verbose) + cout << "Warning: Missing chain ID in the CIF, assuming the same chain for the entire file.\n"; + chainList.push_back(char(' ')); + } + + bool loadChain = false; + + helixCode = ""; + sheetCode = ""; + + string path = "data/AminoAcidHydrogenData.txt"; + const char* inputFile = getenv("VICTOR_ROOT"); + if (inputFile == NULL) + ERROR("Environment variable VICTOR_ROOT was not found.", exception); + + AminoAcidHydrogen::loadParam(((string) inputFile + path).c_str()); + + for (unsigned int i = 0; i < chainList.size(); i++) { + loadChain = false; + // Load all chains + if (allChains) { + loadChain = true; + } else { + // Load only first chain + if (chain == ' ') { + loadChain = true; + chain = '#'; + }// Load only selected chain + else if (chainList[i] == chain) { + loadChain = true; + chain = '#'; + } + } + + if (loadChain) { + + if (verbose) { + cout << "\nLoading chain: ->" << chainList[i] << "<-\n"; + } + setChain(chainList[i]); + + Spacer* sp = new Spacer(); + LigandSet* ls = new LigandSet(); + AminoAcid* aa = new AminoAcid(); + Ligand* lig = new Ligand(); + + int aaNum = -100000; // infinite negative + int oldAaNum = -100000; + + sp->setType(cifFM->GetInLineValue("struct_keywords.pdbx_keywords")); + parseHelixData(); + parseSheetData(); + parseAtomHetatmData(chainList[i], aaNum, oldAaNum, aa, sp, lig, ls); + + // Print some indexes for the debug + /* + cout << aa->getType1L() << " offset:" << sp->getStartOffset() << " gaps:" + << sp->sizeGaps() << " sizeAmino:" << sp->sizeAmino() << " maxPdbNum:" + << sp->maxPdbNumber() << " aaNum:" << aaNum + << " oldAaNum:" << oldAaNum << "\n"; + */ + + // last residue/ligand + // AminoAcid + if ((aa->size() > 0) && (aa->getType1L() != 'X')) { + if (sp->sizeAmino() == 0) { + sp->setStartOffset(oldAaNum - 1); + } else { + // Add gaps + for (int i = sp->maxPdbNumber() + 1; i < oldAaNum; i++) { + sp->addGap(i); + } + } + sp->insertComponent(aa); + + } + // Ligand + if (lig->size() > 0) { + if (onlyMetalHetAtoms) { + if (lig->isSimpleMetalIon()) { // skip not metal ions + ls->insertComponent(lig); + } + } else { + ls->insertComponent(lig); + } + } + if (verbose) + cout << "Parsing done\n"; + + //////////////////////////////////////////////////////////////////// + // Spacer processing + if (sp->sizeAmino() > 0) { + + // correct ''fuzzy'' (i.e. incomplete) residues + for (unsigned int j = 0; j < sp->sizeAmino(); j++) { + if ((!sp->getAmino(j).isMember(O)) || + (!sp->getAmino(j).isMember(C)) || + (!sp->getAmino(j).isMember(CA)) || + (!sp->getAmino(j).isMember(N))) { + + // remove residue + sp->deleteComponent(&(sp->getAmino(j))); + + // Add a gap for removed residues + sp->addGap(sp->getStartOffset() + j + 1); + + if (verbose) { + cout << "Warning: Residue number " << sp->getPdbNumberFromIndex(j) << " is incomplete and had to be removed.\n"; + } + } + } + if (verbose) + cout << "Removed incomplete residues\n"; + + // connect aminoacids + if (!noConnection) { + + if (!setBonds(*sp)) { // connect atoms... + valid = false; + if (verbose) + cout << "Warning: Fail to connect residues in chain: " << chainList[i] << ".\n"; + } + if (verbose) + cout << "Connected residues\n"; + } + + // correct position of leading N atom + sp->setTrans(sp->getAmino(0)[N].getTrans()); + vgVector3 tmp(0.0, 0.0, 0.0); + sp->getAmino(0)[N].setTrans(tmp); + sp->getAmino(0).adjustLeadingN(); + if (verbose) + cout << "Fixed leading N atom\n"; + + // Add H atoms + if (!noHAtoms) { + for (unsigned int j = 0; j < sp->sizeAmino(); j++) { + AminoAcidHydrogen::setHydrogen(&(sp->getAmino(j)), false); // second argument is VERBOSE + } + if (verbose) + cout << "H assigned\n"; + + if (!noSecondary) { + sp->setDSSP(false); // argument is VERBOSE + if (verbose) + cout << "DSSP assigned\n"; + } + } + + // assign secondary structure from torsion angles + if (!noSecondary) { + assignSecondary(*sp); + if (verbose) + cout << "Torsional SS assigned\n"; + } + + } else { + if (verbose) + cout << "Warning: No residues in chain: " << chainList[i] << ".\n"; + } + + //////////////////////////////////////////////////////////////////// + // Load data into protein object + Polymer* pol = new Polymer(); + pol->insertComponent(sp); + if (verbose) + cout << "Loaded AminoAcids: " << sp->size() << "\n"; + + if (!(noHetAtoms)) { + if (ls->sizeLigand() > 0) { //insertion only if LigandSet is not empty + pol->insertComponent(ls); + if (verbose) + cout << "Loaded Ligands: " << ls->size() << "\n"; + } else { + if (verbose) + cout << "Warning: No ligands in chain: " << chainList[i] << ".\n"; + } + } + + prot.addChain(chainList[i]); + prot.insertComponent(pol); + + } // end loadChain + } // chains iteration +} + +void CIFLoader::parseHelixData() { + // read helix entry + + int start, end; + + for (int i = 0; i < cifFM->HelixLoop.RowsCount(); i++) { + start = stoiDEF(cifFM->HelixLoop.GetCellValueTrim(HelixStart, i)); + end = stoiDEF(cifFM->HelixLoop.GetCellValueTrim(HelixEnd, i)); + + helixData.push_back(pair(start, end)); + helixCode += (cifFM->HelixLoop.GetCellValueTrim(HelixCode, i)).c_str()[0]; + } +} + +void CIFLoader::parseSheetData() { + // read sheet entry + + int start, end; + + for (int i = 0; i < cifFM->SheetLoop.RowsCount(); i++) { + start = stoiDEF(cifFM->SheetLoop.GetCellValueTrim(SheetStart, i)); + end = stoiDEF(cifFM->SheetLoop.GetCellValueTrim(SheetEnd, i)); + + sheetData.push_back(pair(start, end)); + sheetCode += (cifFM->SheetLoop.GetCellValueTrim(SheetCode, i)).c_str()[0]; + } +} + +void CIFLoader::parseAtomHetatmData(const char currentChain, int &aaNum, int &oldAaNum, AminoAcid* aa, Spacer* sp, Ligand* lig, LigandSet* ls) { + // Parse one line of the "ATOM" and "HETATM" fields + + unsigned int readingModel = model; + + for (int i = 0; i < cifFM->AtomLoop.RowsCount(); i++) { + + string tag = cifFM->AtomLoop.GetCellValueTrim(AtomGroupPDB, i); + char chainID = (cifFM->AtomLoop.GetCellValueTrim(AtomChainID, i).c_str())[0]; + + // Get only the first model if not specified + readingModel = stouiDEF(cifFM->AtomLoop.GetCellValueTrim(AtomPDBModelNumber, i)); + + if (readingModel > model) + { + break; + } + + if (model == 999) + { + model = readingModel; + } + + if (currentChain == chainID) { + + if ((model == 999) || (model == readingModel)) { + aaNum = stoiDEF(cifFM->AtomLoop.GetCellValueTrim(AtomSeqID, i)); + + // Insert the Ligand object into LigandSet + if (aaNum != oldAaNum) { + // Print some indexes for the debug + /* + cout << aa->getType1L() << " offset:" << sp->getStartOffset() << " gaps:" + << sp->sizeGaps() << " sizeAmino:" << sp->sizeAmino() << " maxPdbNum:" + << sp->maxPdbNumber() << " aaNum:" << aaNum + << " oldAaNum:" << oldAaNum << endl; + cout << "aa->size(): " << aa->size() << " - aa->getType1L()" << aa->getClassName() << endl; + */ + + if ((aa->size() > 0) && (aa->getType1L() != 'X')) { // Skip the first empty AminoAcid + if (sp->sizeAmino() == 0) { + sp->setStartOffset(oldAaNum - 1); + } else { + // Add gaps + for (int i = sp->maxPdbNumber() + 1; i < oldAaNum; i++) { + sp->addGap(i); + } + } + + sp->insertComponent(aa); + } + + // Ligand + if (lig->size() > 0) { + + if (onlyMetalHetAtoms) { + if (lig->isSimpleMetalIon()) { // skip not metal ions + ls->insertComponent(lig); + } + } else { + ls->insertComponent(lig); + } + } + + aa = new AminoAcid(); + lig = new Ligand(); + } + + oldAaNum = parseCIFline(i, tag, lig, aa); + + } // end model check + } // end chain check + } +} + +int CIFLoader::parseCIFline(int atomLineIndex, string tag, Ligand* lig, AminoAcid * aa) { + + int atNum = stoiDEF(cifFM->AtomLoop.GetCellValueTrim(AtomID, atomLineIndex)); // stoi convert from string to int + int aaNum = stoiDEF(cifFM->AtomLoop.GetCellValueTrim(AtomSeqID, atomLineIndex)); + char altAaID = (cifFM->AtomLoop.GetCellValueTrim(AtomInsCode, atomLineIndex)).c_str()[0]; // "Code for insertion of residues" + if (altAaID == '?') + { + altAaID = ' '; + } + + vgVector3 coord; + coord.x = stodDEF(cifFM->AtomLoop.GetCellValueTrim(AtomX, atomLineIndex)); + coord.y = stodDEF(cifFM->AtomLoop.GetCellValueTrim(AtomY, atomLineIndex)); + coord.z = stodDEF(cifFM->AtomLoop.GetCellValueTrim(AtomZ, atomLineIndex)); + + double bfac = stodDEF(cifFM->AtomLoop.GetCellValueTrim(AtomBFact, atomLineIndex)); + + string atType = cifFM->AtomLoop.GetCellValueTrim(AtomName, atomLineIndex); + string aaType = cifFM->AtomLoop.GetCellValueTrim(AtomResidueName, atomLineIndex); + + // take care of deuterium atoms + if (atType == "D") { + cerr << "--> " << atType << "\n"; + atType = "H"; + } + + //cout << "atNum:" << atNum << " - aaNum:" << aaNum << " - altAaID:" << altAaID << " - coord.x:" << coord.x << " - coord.y:" << coord.y << " - coord.z:" << coord.z << " - bfac:" << bfac << " - atType:" << atType << " - aaType:" << aaType<< " - TAG:" << tag << endl; + + // Initialize the Atom object + Atom* at = new Atom(); + at->setNumber(atNum); + at->setType(atType); + at->setCoords(coord); + at->setOccupancy(stodDEF(cifFM->AtomLoop.GetCellValueTrim(AtomOccupancy, atomLineIndex))); + at->setBFac(bfac); + + //Ligand object(includes DNA / RNA in "ATOM" field) + if ((tag == "HETATM") || isKnownNucleotide(nucleotideThreeLetterTranslator(aaType))) { + + if (noWater) { + if (!(aaType == "HOH")) { + lig->addAtom(*at); + lig->setType(aaType); + } + } else { + lig->addAtom(*at); + lig->setType(aaType); + } + }// AminoAcid + else if ((tag == "ATOM")) { + + // skip N-terminal ACE groups + if (aaType != "ACE") { + + // DEBUG: it would be nice to load also alternative atoms + // skip alternative atoms, + if (altAaID != ' ') { + if (verbose) + cout << "Warning: Skipping extraneous amino acid entry " << aaNum << " " << atNum << " " << altAaID << ".\n"; + } else { + aa->setType(aaType); + aa->getSideChain().setType(aaType); + + if (!noHAtoms || isHeavyAtom(at->getCode())) { + if (!inSideChain(*aa, *at)) + { + aa->addAtom(*at); + } + else { + aa->getSideChain().addAtom(*at); + } + } + } + + } else { + if (verbose) + cout << "Warning: Skipping N-terminal ACE group " << aaNum << " " << atNum << ".\n"; + } + } + delete at; + return aaNum; +} diff --git a/Biopool/Sources/CIFLoader.h b/Biopool/Sources/CIFLoader.h new file mode 100644 index 0000000..95c1d14 --- /dev/null +++ b/Biopool/Sources/CIFLoader.h @@ -0,0 +1,264 @@ +/* This file is part of Victor. + + Victor is free software: you can redistribute it and/or modify + it under the terms of the GNU General Public License as published by + the Free Software Foundation, either version 3 of the License, or + (at your option) any later version. + + Victor is distributed in the hope that it will be useful, + but WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the + GNU General Public License for more details. + + You should have received a copy of the GNU General Public License + along with Victor. If not, see . + */ + +/* + * File: CifLoader.h + * Author: Francesco Menniti + * + * Created on 30 novembre 2015, 15.40 + */ + +#ifndef CIFLOADER_H +#define CIFLOADER_H + +// Includes: +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include + +namespace Victor { + namespace Biopool { + + /**@brief Loads components (Atoms, Groups, Spacer, etc.) in standard CIF format. + */ + class CIFLoader : public Loader { + public: + + // CONSTRUCTORS/DESTRUCTOR: + /** + * Constructor. + * @param _input = the CIF file object + * @param _permissive = if true, allows loading residues with missing atoms + * @param _noHAtoms = if true, doesn't load Hydrogens + * @param _noHetAtoms = if true, doesn't load het atoms + * @param _noSecondary = if true, doesn't load secondary structure (neither the one calculated from torsional angles nor the DSSP) + * @param _noConnection = if true, doesn't connect residues + * @param _noWater = if true, doesn't load water atoms + * @param _verb = if true, verbose mode + * @param _allChains = if true, loads all chains + * @param _NULL = the name of the chain to be loaded, if not provided only loads the first chain + * @param _onlyMetal = if true, load only metals as ligands + * @param _noNucleotideChains = if true, doesn't load DNA/RNA chains + */ + CIFLoader(istream& _input = cin, bool _permissive = false, + bool _noHAtoms = false, bool _noHetAtoms = false, bool _noSecondary = false, + bool _noConnection = false, bool _noWater = true, + bool _verb = true, bool _allChains = false, string _NULL = "", bool _onlyMetal = false, + bool _noNucleotideChains = true); + + // this class uses the implicit copy operator. + + virtual ~CIFLoader() { + PRINT_NAME; + } + + // PREDICATES: + + bool isValid() { + return valid; + } + + /** + * If user selected a Model, it check validity of this choice, + * otherwise it select first available chain. To check input values. + */ + void checkModel(); + + /** + * If user selected a chain, it check validity of this choice, + * otherwise it select first available chain. Chosen by the user. + */ + void checkAndSetChain(); + + /** + * Reads in the maximum allowed number of NMR models, zero otherwise + */ + unsigned int getMaxModels(); + + /** + * Returns all available chain IDs for a CIF file. + * + */ + vector getAllChains(); + + // MODIFIERS: + + void setPermissive() { + permissive = true; + } + + void setNonPermissive() { + permissive = false; + } + + void setVerbose() { + verbose = true; + } + + void setNoVerbose() { + verbose = false; + } + + void setChain(char _ch) { + chain = _ch; + } + + void setModel(unsigned int _mod) { + model = _mod; + } + + void setAltAtom(char _a) { + altAtom = _a; + } + + void setNoHAtoms() { + noHAtoms = true; + } + + void setNoHetAtoms() { + noHetAtoms = true; + } + void setOnlyMetalHetAtoms(); + + void setNoSecondary() { + noSecondary = true; + } + + void setWithSecondary() { + noSecondary = false; + } + + void setNoConnection() { + noConnection = true; + } + + void setWithConnection() { + noConnection = false; + } + + void setWater(); + + void setAllChains() { + allChains = true; + } + + /** + * Core function for CIF file parsing. + * @param prot (Protein&) + */ + virtual void loadProtein(Protein& prot); + + protected: + // HELPERS: + /** + * Private helper function to set bond structure after loading the spacer. + * @param Spacer reference + * @return bool + */ + bool setBonds(Spacer& sp); + + /** + * Private helper function to determine if atom is backbone or sidechain. + * @param Spacer reference + * @return bool + */ + bool inSideChain(const AminoAcid& aa, const Atom& at); + void loadSecondary(); + + /** + * Try to assigns the secondary structure from the CIF header. If not present + * uses Spacer's setStateFromTorsionAngles(). + * @param Spacer reference + */ + void assignSecondary(Spacer& sp); + + /** + * Parse a single line of a CIF file. + * @param atomLine (string) the whole CIF line as it is + * @param tag (string) = the first field (keyword) in a CIF line + * @param lig (Ligand) pointer + * @param aa (AminoAcid) pointer + * @return Residue number read from the CIF line (int) + */ + int parseCIFline(int atomLineIndex, string tag, Ligand* lig, AminoAcid* aa); + + // ATTRIBUTES + private: + CIFFileManager* cifFM; + istream& input; //input stream + bool permissive; // + bool valid; // + bool noHAtoms; // + bool noHetAtoms; //hetatms contain water, simpleMetalIons and cofactors + bool onlyMetalHetAtoms; //with this flag we select only 2nd cathegory + bool noSecondary; + bool noConnection; //skip connecting aminoacids + bool noWater; // + bool verbose; + bool allChains; // + char chain; //chain ID to be loaded + unsigned int model; //model number to be loaded + char altAtom; //ID of alternate atoms to be loaded + + bool noNucleotideChains; //does not load nucleotide atoms + + string helixCode; // parallel vector of helix data, chain name for each helixData element + string sheetCode; + + vector > helixData; //inizio e fine dell'elica + vector > sheetData; + + /** + * A loadProtein subroutine. Analyze and parse the helix information. + */ + void parseHelixData(); + + /** + * A loadProtein subroutine. Analyze and parse the sheet information. + */ + void parseSheetData(); + + /** + * A loadProtein subroutine. Analyze and parse the information for atoms and hetero atoms. + * @param currentChain The current chain. + * @param aaNum The current aminiacid serial number + * @param oldAaNum The last aminiacid serial number + * @param aa The aminoacid to create + * @param sp The spacer to create + * @param lig The ligand to create + * @param ls The ligand set to create + */ + void parseAtomHetatmData(const char currentChain, int &aaNum, int &oldAaNum, AminoAcid* aa, Spacer* sp, Ligand* lig, LigandSet* ls); + + }; + } +} + +#endif /* CIFLOADER_H */ + diff --git a/Biopool/Sources/CIFLoop.cc b/Biopool/Sources/CIFLoop.cc new file mode 100644 index 0000000..4a79ca3 --- /dev/null +++ b/Biopool/Sources/CIFLoop.cc @@ -0,0 +1,72 @@ +/* This file is part of Victor. + + Victor is free software: you can redistribute it and/or modify + it under the terms of the GNU General Public License as published by + the Free Software Foundation, either version 3 of the License, or + (at your option) any later version. + + Victor is distributed in the hope that it will be useful, + but WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the + GNU General Public License for more details. + + You should have received a copy of the GNU General Public License + along with Victor. If not, see . + */ + +#include + +using namespace std; +using namespace Victor; +using namespace Victor::Biopool; + +CIFLoop::CIFLoop(string _category) { + //PrintOut("CIFLoop::CIFLoop + " + _category ); + categoryGroup = _category; +} + +void CIFLoop::AddColumn(string _line) { + //PrintOut("CIFLoop::AddColumn + " + _line); + columns.push_back(decodeColName(_line)); +} + +string CIFLoop::GetCellValue(string _colName, int _rowNumber) { + return rows[_rowNumber][getColNumber(_colName)]; +} + +string CIFLoop::GetCellValueTrim(string _colName, int _rowNumber) { + return Trim(rows[_rowNumber][getColNumber(_colName)]); +} + +vector CIFLoop::splitRow(string _line) { + //PrintOut("CIFLoop::splitRow + " + _line); + return SplitOnSpace(_line); +} + +string CIFLoop::decodeColName(string _line) { + return Trim(_line.substr(_line.find('.') + 1, _line.size() - _line.find('.'))); +} + +string CIFLoop::DecodeCategory(string _line) { + return Trim(_line.substr(1, _line.find('.') - 1)); +} + +bool CIFLoop::HasColumn(string _colName) { + for (int i = 0; i < ColumnsCount(); i++) + if (columns[i] == _colName) + return true; + + return false; +} + +int CIFLoop::getColNumber(string _colName) { + if (!HasColumn(_colName)) + ERROR("Loop hasn't column " + _colName, exception); + + for (int i = 0; i < ColumnsCount(); i++) + if (columns[i] == _colName) + return i; + + return -1; + +} diff --git a/Biopool/Sources/CIFLoop.h b/Biopool/Sources/CIFLoop.h new file mode 100644 index 0000000..9242aba --- /dev/null +++ b/Biopool/Sources/CIFLoop.h @@ -0,0 +1,168 @@ +/* This file is part of Victor. + + Victor is free software: you can redistribute it and/or modify + it under the terms of the GNU General Public License as published by + the Free Software Foundation, either version 3 of the License, or + (at your option) any later version. + + Victor is distributed in the hope that it will be useful, + but WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the + GNU General Public License for more details. + + You should have received a copy of the GNU General Public License + along with Victor. If not, see . + */ + +/* + * File: CIFLoop.h + * Author: Francesco Menniti + * + * Created on 01 december 2015, 13.34 + */ + +#ifndef CIFLOOP_H +#define CIFLOOP_H + +#include +#include +#include +#include +#include + +using namespace std; + +namespace Victor { + namespace Biopool { + + /** + * @brief This class store and manage the CIF file lopps. + * Loops are like table and stores values. Loops have 2 section: the header and the rows. + * The column are self-defined in the header of the loop. + * The rows contains the value of the table. + */ + class CIFLoop { + public: + + /** + * The standard constructors. + */ + CIFLoop() {}; + + /** + * This costructor make a categorized loop. + * @param _category The category of the loop read from CIF file + */ + CIFLoop(string _category); + + /** + * Extracts the category of a loop from the first line of the loop. + * @param line The first line of the loop. + * @return The category parsed. + */ + static string DecodeCategory(string line); + + /** + * The category of the loop. + * @return The category of the loop. + */ + string GetCategoryGroup() { + return categoryGroup; + } + + /** + * Parse a header line of the loop and extract the name of the field-column + * @param _line The line to precess. + */ + void AddColumn(string _line); + + /** + * This method return a value of the loop row. + * @param _colName The value of the column. + * @param _rowNumber The index of the loop row 0 based. + * @return The value as string + */ + string GetCellValue(string _colName, int _rowNumber); + + /** + * Like GetCellValue. Remove the white space, if exists, before and after the cell value. + * @param _colName The value of the column. + * @param _rowNumber The index of the loop row 0 based. + * @return The value as string + */ + string GetCellValueTrim(string _colName, int _rowNumber); + + /** + * Check if a column name belong to the loop. + * @param _colName The column name to check. + * @return True if the loop has the column name. + */ + bool HasColumn(string _colName); + + /** + * Add a record to the loop. + * @param _line The line of the CIF file to store in the loop. + */ + void AddRow(string _line) { + rows.push_back(splitRow(_line)); + } + + /** + * Get how many records the loop store. + * @return The record nmber of the loop. + */ + int RowsCount() { + return rows.size(); + } + + /** + * Get how many columns the loop has. + * @return The columns nmber of the loop. + */ + int ColumnsCount() { + return columns.size(); + } + + private: + /** + * The columns list of the loop. + */ + vector columns; + + /** + * The record list of the loop. + * Each record is rappresented as a list of values. + */ + vector > rows; + + /** + * The category of the loop. + */ + string categoryGroup; + + /** + * This methoed get a line of the CIF file and split the values on each white space. + * @param _line The line to process + * @return The values list splitted. + */ + vector splitRow(string _line); + + /** + * Get a header line of a loop and return the namen of the column defined. + * @param _line The line of CIF file to parse + * @return The column name store in the header loop line in input. + */ + string decodeColName(string _line); + + /** + * Get the index of the input column name. + * @param _colName The name to find. + * @return The index of the colunm. -1 if not present. + */ + int getColNumber(string _colName); + + }; //class CIFLoop + }//namespace Biopool +}//namespace Victor + +#endif // CIFLOOP_H diff --git a/Biopool/Sources/CIFSaver.cc b/Biopool/Sources/CIFSaver.cc new file mode 100644 index 0000000..9b5fb53 --- /dev/null +++ b/Biopool/Sources/CIFSaver.cc @@ -0,0 +1,330 @@ +/* This file is part of Victor. + + Victor is free software: you can redistribute it and/or modify + it under the terms of the GNU General Public License as published by + the Free Software Foundation, either version 3 of the License, or + (at your option) any later version. + + Victor is distributed in the hope that it will be useful, + but WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the + GNU General Public License for more details. + + You should have received a copy of the GNU General Public License + along with Victor. If not, see . + */ + +/* + * File: CIFSaver.cc + * Author: Francesco Menniti + * + * Created on 22 dicembre 2015, 15.28 + */ +#include "CIFSaver.h" + +using namespace Victor; +using namespace Victor::Biopool; +using namespace std; + +void CIFSaver::saveGroup(Group& gr) { + gr.sync(); + + if (!atomSiteWrited) { + output << "loop_" << endl; + output << "_atom_site.group_PDB " << endl; + output << "_atom_site.id " << endl; + output << "_atom_site.type_symbol " << endl; + output << "_atom_site.label_atom_id " << endl; + output << "_atom_site.label_alt_id " << endl; + output << "_atom_site.label_comp_id " << endl; + output << "_atom_site.label_asym_id " << endl; + output << "_atom_site.label_entity_id " << endl; + output << "_atom_site.label_seq_id " << endl; + output << "_atom_site.pdbx_PDB_ins_code " << endl; + output << "_atom_site.Cartn_x " << endl; + output << "_atom_site.Cartn_y " << endl; + output << "_atom_site.Cartn_z " << endl; + output << "_atom_site.occupancy " << endl; + output << "_atom_site.B_iso_or_equiv " << endl; + output << "_atom_site.Cartn_x_esd " << endl; + output << "_atom_site.Cartn_y_esd " << endl; + output << "_atom_site.Cartn_z_esd " << endl; + output << "_atom_site.occupancy_esd " << endl; + output << "_atom_site.B_iso_or_equiv_esd " << endl; + output << "_atom_site.pdbx_formal_charge " << endl; + output << "_atom_site.auth_seq_id " << endl; + output << "_atom_site.auth_comp_id " << endl; + output << "_atom_site.auth_asym_id " << endl; + output << "_atom_site.auth_atom_id " << endl; + output << "_atom_site.pdbx_PDB_model_num " << endl; + + atomSiteWrited = true; + + } + + for (unsigned int i = 0; i < gr.size(); i++) { + string atName = gr[i].getType(); + + if (atName == "OXT") // cosmetics: OXT has to be output after + continue; // the sidechain and therefore goes in saveSpacer + + // Added variable for correcting atom type H (last column in PDBs) + char atomOneLetter; + if (!isdigit(atName[0])) { + atomOneLetter = atName[0]; + } else { + atomOneLetter = atName[1]; + } + + // Added control for size by Damiano Piovesan + // example HG12 + if (!isdigit(atName[0]) && (atName.size() < 4)) + atName = ' ' + atName; + while (atName.size() < 4) + atName += ' '; + + output << setw(7) << left << "ATOM" << + setw(6) << gr[i].getNumber() << + setw(2) << atomOneLetter << + setw(5) << left << atName << + setw(2) << "." << + setw(4) << gr.getType() << + setw(2) << "?" << + setw(2) << "?" << + setw(4) << aminoOffset << + setw(2) << "?" << + setw(8) << setprecision(3) << gr[i].getCoords().x << + setw(8) << setprecision(3) << gr[i].getCoords().y << + setw(8) << setprecision(3) << gr[i].getCoords().z << + setw(6) << setprecision(2) << gr[i].getOccupancy() << + setw(7) << left << setprecision(2) << gr[i].getBFac() << + setw(2) << "?" << + setw(2) << "?" << + setw(2) << "?" << + setw(2) << "?" << + setw(2) << "?" << + setw(2) << "?" << + setw(4) << aminoOffset << + setw(4) << gr.getType() << + setw(2) << chain << + setw(5) << left << atName << + setw(2) << "1" << + endl; + + atomOffset = gr[i].getNumber() + 1; + } + + //aminoOffset++; +} + +void CIFSaver::saveSideChain(SideChain& sc) { + saveGroup(sc); +} + +void CIFSaver::saveAminoAcid(AminoAcid& aa) { + saveGroup(aa); +} + +void CIFSaver::saveSpacer(Spacer& sp) { + PRINT_NAME; + + if (sp.size() > 0) { + unsigned int oldPrec = output.precision(); + ios::fmtflags oldFlags = output.flags(); + output.setf(ios::fixed, ios::floatfield); + + //method of class Component. It checks how deep is the spacer + if (sp.getDepth() == 0) { + if (writeTer) { + output << "data_" << sp.getType() << endl; + output << "# " << endl; + output << "Header" << " " << sp.getType() + << " " << endl; + output << "# " << endl; + } + aminoOffset = 0; + atomOffset = sp.getAtomStartOffset(); + } + + if (writeSeq) + { + writeSeqRes(sp); + } + if (writeSecStr) + { + writeSecondary(sp); + } + + aminoOffset = sp.getStartOffset(); + atomOffset = sp.getAtomStartOffset(); + + //saving is one ammino at a time + for (unsigned int i = 0; i < sp.sizeAmino(); i++) { + aminoOffset++; + while ((sp.isGap(aminoOffset)) && (aminoOffset < sp.maxPdbNumber())) { + aminoOffset++; + } + sp.getAmino(i).save(*this); + } + + // cosmetics: write OXT after last side chain + if (sp.getAmino(sp.sizeAmino() - 1).isMember(OXT)) { + unsigned int index = sp.sizeAmino() - 1; + + output << setw(7) << left << "ATOM" << + setw(6) << sp.getAmino(index)[OXT].getNumber() << + setw(2) << "O" << + setw(5) << left << "OXT" << + setw(2) << "." << + setw(4) << sp.getAmino(index)[OXT].getType() << + setw(2) << "?" << + setw(2) << "?" << + setw(4) << aminoOffset << + setw(2) << "?" << + setw(8) << setprecision(3) << sp.getAmino(index)[OXT].getCoords().x << + setw(8) << setprecision(3) << sp.getAmino(index)[OXT].getCoords().y << + setw(8) << setprecision(3) << sp.getAmino(index)[OXT].getCoords().z << + setw(6) << setprecision(2) << sp.getAmino(index)[OXT].getOccupancy() << + setw(7) << left << setprecision(2) << sp.getAmino(index)[OXT].getBFac() << + setw(2) << "?" << + setw(2) << "?" << + setw(2) << "?" << + setw(2) << "?" << + setw(2) << "?" << + setw(2) << "?" << + setw(4) << aminoOffset << + setw(4) << sp.getAmino(index)[OXT].getType() << + setw(2) << chain << + setw(5) << left << "OXT" << + setw(2) << "1" << + endl; + } + + output.precision(oldPrec); + output.flags(oldFlags); + aminoOffset = 0; //necessary if the's more than one spacer + } + +} + +void CIFSaver::saveLigand(Ligand& gr) { + gr.sync(); + unsigned int oldPrec = output.precision(); + ios::fmtflags oldFlags = output.flags(); + output.setf(ios::fixed, ios::floatfield); + + string aaType = gr.getType(); + + string tag = "HETATM"; + if (isKnownNucleotide(nucleotideThreeLetterTranslator(aaType))) { + tag = "ATOM"; + } + + //print all HETATM of a ligand + for (unsigned int i = 0; i < gr.size(); i++) { + string atType = gr[i].getType(); + aaType = gr.getType(); + string atTypeShort; //last column in a Pdb File + + if (atType != aaType) { + atTypeShort = atType[0]; + } else { + atTypeShort = atType; + } + + output << setw(7) << left << tag << + setw(6) << gr[i].getNumber() << + setw(2) << atTypeShort << + setw(5) << left << atType << + setw(2) << "." << + setw(4) << aaType << + setw(2) << '?' << + setw(2) << '?' << + setw(4) << ligandOffset << + setw(2) << "?" << + setw(8) << setprecision(3) << gr[i].getCoords().x << + setw(8) << setprecision(3) << gr[i].getCoords().y << + setw(8) << setprecision(3) << gr[i].getCoords().z << + setw(6) << setprecision(2) << gr[i].getOccupancy() << + setw(7) << left << setprecision(2) << gr[i].getBFac() << + setw(2) << "?" << + setw(2) << "?" << + setw(2) << "?" << + setw(2) << "?" << + setw(2) << "?" << + setw(2) << "?" << + setw(4) << aminoOffset << + setw(4) << aaType << + setw(2) << chain << + setw(5) << atType << + setw(2) << "1" << + endl; + } + output << "# " << endl; + + ligandOffset++; + output.precision(oldPrec); + output.flags(oldFlags); +} + +void CIFSaver::saveLigandSet(LigandSet& ls) { + + ligandOffset = ls.getStartOffset(); //set the offset for current LigandSet + + for (unsigned int i = 0; i < ls.sizeLigand(); i++) { + while ((ls.isGap(ligandOffset)) + && (ligandOffset < ls.maxPdbNumber())) + ligandOffset++; + ls[i].save(*this); + } +} + +void CIFSaver::saveProtein(Protein& prot) { + + Spacer* sp = NULL; + LigandSet* ls = NULL; + + for (unsigned int i = 0; i < prot.sizeProtein(); i++) { + setChain(prot.getChainLetter(i)); //set the actual chain's ID + sp = prot.getSpacer(i); + saveSpacer(*sp); + } + + for (unsigned int i = 0; i < prot.sizeProtein(); i++) { + setChain(prot.getChainLetter(i)); //set the actual chain's ID + ls = prot.getLigandSet(i); + + if (ls != NULL) { + saveLigandSet(*ls); + } + } +} + +void CIFSaver::writeSeqRes(Spacer& sp) { + + output << "loop_" << endl; + output << "_entity_poly_seq.entity_id " << endl; + output << "_entity_poly_seq.num " << endl; + output << "_entity_poly_seq.mon_id " << endl; + output << "_entity_poly_seq.hetero " << endl; + + for (unsigned int i = 0; i < sp.sizeAmino(); i++) { + + //string entityId = sp.getAmino(i).getAtom(0).getEntityId(); + + output << setw(2) << left << "?" << + setw(4) << i + 1 << + setw(4) << sp.getAmino(i).getType() << + setw(2) << "n" << + endl; + } + + output << "# " << endl; + +} + +void CIFSaver::writeSecondary(Spacer& sp) { + +} + + diff --git a/Biopool/Sources/CIFSaver.h b/Biopool/Sources/CIFSaver.h new file mode 100644 index 0000000..d1ca7a7 --- /dev/null +++ b/Biopool/Sources/CIFSaver.h @@ -0,0 +1,180 @@ +/* This file is part of Victor. + + Victor is free software: you can redistribute it and/or modify + it under the terms of the GNU General Public License as published by + the Free Software Foundation, either version 3 of the License, or + (at your option) any later version. + + Victor is distributed in the hope that it will be useful, + but WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the + GNU General Public License for more details. + + You should have received a copy of the GNU General Public License + along with Victor. If not, see . + */ + +/* + * File: CIFSaver.h + * Author: Francesco Menniti + * + * Created on 22 dicembre 2015, 15.28 + */ + +#ifndef CIFSAVER_H +#define CIFSAVER_H + +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include + +namespace Victor { + namespace Biopool { + + /**@brief Saves components (Atoms, Groups, etc.) in standard CIF format + */ + class CIFSaver : public Saver { + public: + + // CONSTRUCTORS/DESTRUCTOR: + + /** + *Basic constructor. By default it writes sequence, secondary structure and the term line. + * @param _output (ostream&) the output file object + */ + CIFSaver(ostream& _output = cout) + : output(_output), writeSeq(true), writeSecStr(true), writeTer(true), + atomOffset(0), aminoOffset(0), ligandOffset(0), chain(' '), atomSiteWrited(false) { + } + + virtual ~CIFSaver() { + PRINT_NAME; + } + + // PREDICATES: + + void endFile() { + output << "END\n"; + } + + // MODIFIERS: + + void setWriteSecondaryStructure() { + writeSecStr = true; + } + + void setDoNotWriteSecondaryStructure() { + writeSecStr = false; + } + + void setWriteSeqRes() { + writeSeq = true; + } + + void setDoNotWriteSeqRes() { + writeSeq = false; + } + + void setWriteAtomOnly() { + writeSecStr = false; + writeSeq = false; + writeTer = false; + } + + void setWriteAll() { + writeSecStr = true; + writeSeq = true; + writeTer = true; + } + + void setChain(char _ch) { + chain = _ch; + } + + /** + *Saves a group in CIF format. + *@param group reference + *@return void + */ + virtual void saveGroup(Group& gr); + + /** + *Saves a sidechain in CIF format. + *@param sideChain reference + *@return void + */ + virtual void saveSideChain(SideChain& sc); + + /** + *Saves an aminoacid in CIF format. + *@param AminoAcid reference + *@return void + */ + virtual void saveAminoAcid(AminoAcid& aa); + + /** + *Saves a spacer in CIF format. + *@param Spacer reference + *@return void + */ + virtual void saveSpacer(Spacer& sp); + + /** + *Saves a Ligand in CIF format. + *@param Ligand reference + *@return void + */ + virtual void saveLigand(Ligand& l); + + /** + *Saves a LigandSet in CIF format. + *@param LigandSet reference + *@return void + */ + virtual void saveLigandSet(LigandSet& l); + + /** + *Saves a Protein in CIF format. + *@param Protein reference + *@return void + */ + virtual void saveProtein(Protein& prot); + + protected: + + private: + + // HELPERS: + /** + *Writes the SEQRES entry (CIF format) for a spacer. + *@param Spacer reference + *@return void + */ + void writeSeqRes(Spacer& sp); // writes SEQRES entry + + /** + *Writes the secondary information (CIF format) for a spacer, e.g. HELIX, SHEET, etc. + *@param sideChain reference + *@return void + */ + void writeSecondary(Spacer& sp); + // ATTRIBUTES + ostream& output; // output stream + bool writeSeq, writeSecStr, writeTer, atomSiteWrited; + unsigned int atomOffset, ligandOffset; + int aminoOffset; + char chain; // chain ID + // offsets that determine at which atom, aminoacid and ligand number to start + }; + + } +} +#endif /* CIFSAVER_H */ + diff --git a/Biopool/Sources/Makefile b/Biopool/Sources/Makefile index 86b43b9..6615af8 100644 --- a/Biopool/Sources/Makefile +++ b/Biopool/Sources/Makefile @@ -30,6 +30,7 @@ INC_PATH = -I. -I../../tools SOURCES = Identity.cc SimpleBond.cc Bond.cc \ Component.cc Monomer.cc Polymer.cc Atom.cc Group.cc SideChain.cc \ AminoAcid.cc Spacer.cc IntSaver.cc IntLoader.cc SeqSaver.cc PdbLoader.cc \ + CIFLoader.cc CIFLoop.cc CIFFileManager.cc StringUtils.cc CIFSaver.cc \ PdbSaver.cc SeqLoader.cc IntCoordConverter.cc SeqConstructor.cc Ligand.cc \ LigandSet.cc SolvExpos.cc AminoAcidHydrogen.cc Nucleotide.cc \ RelLoader.cc XyzSaver.cc RelSaver.cc XyzLoader.cc @@ -39,6 +40,7 @@ OBJECTS = Identity.o SimpleBond.o Bond.o \ Component.o Monomer.o Polymer.o Atom.o Group.o SideChain.o \ AminoAcid.o Spacer.o IntSaver.o IntLoader.o \ SeqSaver.o PdbLoader.o PdbSaver.o SeqLoader.o \ + CIFLoader.o CIFLoop.o CIFFileManager.o StringUtils.o CIFSaver.o \ IntCoordConverter.o SeqConstructor.o Ligand.o LigandSet.o \ SolvExpos.o Protein.o AminoAcidHydrogen.o Nucleotide.o \ RelLoader.o XyzSaver.o RelSaver.o XyzLoader.o diff --git a/Biopool/Sources/PdbLoader.cc b/Biopool/Sources/PdbLoader.cc index 595bc76..8442a81 100644 --- a/Biopool/Sources/PdbLoader.cc +++ b/Biopool/Sources/PdbLoader.cc @@ -26,6 +26,8 @@ #include #include +#include + // Global constants, typedefs, etc. (to avoid): using namespace Victor; using namespace Victor::Biopool; @@ -38,7 +40,6 @@ using namespace Victor; using namespace Victor::Biopool; * Reads in the maximum allowed number of NMR models, zero otherwise *@param none */ - unsigned int PdbLoader::getMaxModels() { input.clear(); // reset file to previous content @@ -190,8 +191,6 @@ bool PdbLoader::inSideChain(const AminoAcid& aa, const Atom& at) { * uses Spacer's setStateFromTorsionAngles(). *@param Spacer reference */ - - void PdbLoader::assignSecondary(Spacer& sp) { if (helixData.size() + sheetData.size() == 0) { sp.setStateFromTorsionAngles(); @@ -220,7 +219,6 @@ void PdbLoader::assignSecondary(Spacer& sp) { } //setOnlyMetalHetAtoms - void PdbLoader::setOnlyMetalHetAtoms() { if (noHetAtoms) { @@ -253,14 +251,12 @@ PdbLoader::loadSpacer(Spacer& sp){ * Core function for PDB file parsing. * @param prot (Protein&) */ - void PdbLoader::loadProtein(Protein& prot) { - PRINT_NAME; vector chainList = getAllChains(); - + if (chainList.size() == 0) { if (verbose) cout << "Warning: Missing chain ID in the PDB, assuming the same chain for the entire file.\n"; @@ -366,20 +362,24 @@ PdbLoader::loadProtein(Protein& prot) { else if ((tag == "ATOM ") || (tag == "HETATM")) { char chainID = atomLine.substr(21, 1)[0]; + if (chainList[i] == chainID) { - + if ((model == 999) || (model == readingModel)) { aaNum = stoiDEF(atomLine.substr(22, 4)); // Insert the Ligand object into LigandSet if (aaNum != oldAaNum) { // Print some indexes for the debug - /* + /* cout << aa->getType1L() << " offset:" << sp->getStartOffset() << " gaps:" << sp->sizeGaps() << " sizeAmino:" << sp->sizeAmino() << " maxPdbNum:" << sp->maxPdbNumber() << " aaNum:" << aaNum - << " oldAaNum:" << oldAaNum << " lastAa:" << lastAa << "\n"; + << " oldAaNum:" << oldAaNum << endl; + + cout << "aa->size(): " << aa->size() << " - aa->getType1L()" << aa->getClassName() << endl; */ + if ((aa->size() > 0) && (aa->getType1L() != 'X')) { // Skip the first empty AminoAcid if (sp->sizeAmino() == 0) { sp->setStartOffset(oldAaNum - 1); @@ -389,11 +389,9 @@ PdbLoader::loadProtein(Protein& prot) { for (int i = sp->maxPdbNumber() + 1; i < oldAaNum; i++) { sp->addGap(i); } - } sp->insertComponent(aa); - } // Ligand @@ -496,7 +494,6 @@ PdbLoader::loadProtein(Protein& prot) { cout << "Connected residues\n"; } - // correct position of leading N atom sp->setTrans(sp->getAmino(0)[N].getTrans()); vgVector3 tmp(0.0, 0.0, 0.0); @@ -505,8 +502,6 @@ PdbLoader::loadProtein(Protein& prot) { if (verbose) cout << "Fixed leading N atom\n"; - - // Add H atoms if (!noHAtoms) { for (unsigned int j = 0; j < sp->sizeAmino(); j++) { @@ -590,12 +585,17 @@ PdbLoader::parsePDBline(string atomLine, string tag, Ligand* lig, AminoAcid* aa) string atType = ""; for (int i = 11; i < 17; i++) { if (atomLine[i] != ' ') + { atType.append(atomLine.substr(i, 1)); + } } + string aaType = ""; for (int i = 17; i < 20; i++) { if (atomLine[i] != ' ') + { aaType.append(atomLine.substr(i, 1)); + } } // take care of deuterium atoms if (atType == "D") { @@ -603,12 +603,14 @@ PdbLoader::parsePDBline(string atomLine, string tag, Ligand* lig, AminoAcid* aa) atType = "H"; } + //cout << "atNum:" << atNum << " - aaNum:" << aaNum << " - altAaID:" << altAaID << " - coord.x:" << coord.x << " - coord.y:" << coord.y << " - coord.z:" << coord.z << " - bfac:" << bfac << " - atType:" << atType << " - aaType:" << aaType<< " - TAG:" << tag << endl; + // Initialize the Atom object Atom* at = new Atom(); at->setNumber(atNum); at->setType(atType); at->setCoords(coord); - //at->setCoords(stod(atomLine.substr(30,8)),stod(atomLine.substr(38,8)),stod(atomLine.substr(46,8))); + at->setOccupancy(stodDEF(atomLine.substr(54, 6))); at->setBFac(bfac); // Ligand object (includes DNA/RNA in "ATOM" field) @@ -641,7 +643,9 @@ PdbLoader::parsePDBline(string atomLine, string tag, Ligand* lig, AminoAcid* aa) if (!noHAtoms || isHeavyAtom(at->getCode())) { if (!inSideChain(*aa, *at)) + { aa->addAtom(*at); + } else { aa->getSideChain().addAtom(*at); } diff --git a/Biopool/Sources/StringUtils.cc b/Biopool/Sources/StringUtils.cc new file mode 100644 index 0000000..deeef59 --- /dev/null +++ b/Biopool/Sources/StringUtils.cc @@ -0,0 +1,70 @@ +/* This file is part of Victor. + + Victor is free software: you can redistribute it and/or modify + it under the terms of the GNU General Public License as published by + the Free Software Foundation, either version 3 of the License, or + (at your option) any later version. + + Victor is distributed in the hope that it will be useful, + but WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the + GNU General Public License for more details. + + You should have received a copy of the GNU General Public License + along with Victor. If not, see . + */ + +/* + * File: CIFFileManager.h + * Author: Francesco Menniti + * + * Created on 14 dicembre 2015 + */ + +#include + +using namespace std; + +string Trim(string _input) +{ + size_t first = _input.find_first_not_of(' '); + size_t last = _input.find_last_not_of(' '); + return _input.substr(first, (last-first+1)); +} + +bool StartsWith(string _input, string _prefix) +{ + return _input.compare(0, _prefix.length(), _prefix) == 0; +} + +void PrintOut(string line) +{ + cout << line << endl; +} + +void PrintOut(int line) +{ + cout << line << endl; +} + +vector SplitOnSpace(string _input) { + + vector* result = new vector(); + _input = Trim(_input); + + while (_input.size() > 0) { + + _input = Trim(_input); + size_t first = _input.find_first_of(' '); + + if (first > 0 && first <= _input.size() ) { + result->push_back(_input.substr(0, first + 1)); + _input = _input.substr(first + 1); + } else { + result->push_back(_input); + _input = ""; + } + } + + return *result; +} \ No newline at end of file diff --git a/Biopool/Sources/StringUtils.h b/Biopool/Sources/StringUtils.h new file mode 100644 index 0000000..46a0265 --- /dev/null +++ b/Biopool/Sources/StringUtils.h @@ -0,0 +1,41 @@ +/* This file is part of Victor. + + Victor is free software: you can redistribute it and/or modify + it under the terms of the GNU General Public License as published by + the Free Software Foundation, either version 3 of the License, or + (at your option) any later version. + + Victor is distributed in the hope that it will be useful, + but WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the + GNU General Public License for more details. + + You should have received a copy of the GNU General Public License + along with Victor. If not, see . + */ + +/* + * File: CIFFileManager.h + * Author: Francesco Menniti + * + * Created on 14 dicembre 2015 + */ + +#ifndef STRINGUTILS_H +#define STRINGUTILS_H + +#include +#include +#include +#include + +using namespace std; + +string Trim(string _input); +bool StartsWith(string _input, string _prefix); +void PrintOut(string line); +void PrintOut(int line); +vector SplitOnSpace(string _input); + +#endif /* STRINGUTILS_H */ + diff --git a/Biopool/Tests/Makefile b/Biopool/Tests/Makefile index 6f35654..f6b9888 100644 --- a/Biopool/Tests/Makefile +++ b/Biopool/Tests/Makefile @@ -26,13 +26,13 @@ INC_PATH = -I. # Objects and headers # -SOURCES = TestBiopool.cc TestAtom.h TestAminoAcid.h TestGroup.h TestSpacer.h +SOURCES = TestBiopool.cc TestAtom.h TestAminoAcid.h TestGroup.h TestSpacer.h TestCIF.cc OBJECTS = $(SOURCES:.cpp=.o) -TARGETS = TestBiopool +TARGETS = TestBiopool TestCIF -EXECS = TestBiopool +EXECS = TestBiopool TestCIF LIBRARY = TESTlibBiopool.a @@ -45,8 +45,8 @@ compile: all all: install install: $(LIBRARY) $(TARGETS) - mv $(EXECS) $(UPDIR)/bin - mv $(LIBRARY) $(UPDIR)/lib +# mv $(EXECS) $(UPDIR)/bin +# mv $(LIBRARY) $(UPDIR)/lib # # Call global Makefile to do the job. diff --git a/Biopool/Tests/TestBiopool.cc b/Biopool/Tests/TestBiopool.cc index 51222fb..3f17ce8 100644 --- a/Biopool/Tests/TestBiopool.cc +++ b/Biopool/Tests/TestBiopool.cc @@ -8,17 +8,20 @@ #include #include #include - #include #include #include #include + using namespace std; int main() { - CppUnit::TextUi::TestRunner runner; + cout << "Main" << endl; + + + CppUnit::TextUi::TestRunner runner; cout << "Creating Test Suites:" << endl; runner.addTest(TestAtom::suite()); runner.addTest(TestGroup::suite()); @@ -26,6 +29,6 @@ int main() { runner.addTest(TestSpacer::suite()); cout<< "Running the unit tests."< +#include +#include + +#include +#include +#include + +using namespace std; + + +int main() { + + cout << "Main" << endl; + + CppUnit::TextUi::TestRunner runner; + cout << "Creating Test Suites:" << endl; + runner.addTest(TestCIFLoop::suite()); + runner.addTest(TestCIFFileManager::suite()); + runner.addTest(TestCIFLoader::suite()); + cout<< "Running the unit tests."< +#include +#include + +#include +#include +#include +#include +#include + +#include +#include + + +using namespace std; +using namespace Victor::Biopool; + +class TestCIFFileManager : public CppUnit::TestFixture { + +private: + CIFFileManager *fm; + +public: + + TestCIFFileManager() { + + ifstream CIFFile("data/CIFTest.cif"); + fm = new CIFFileManager(CIFFile); + fm->Init(); + } + + static CppUnit::Test *suite() { + CppUnit::TestSuite *suiteOfTests = new CppUnit::TestSuite("TestCIFFileManager"); + + suiteOfTests->addTest(new CppUnit::TestCaller("TEST CIFFileManager.", + &TestCIFFileManager::testCFM_A )); + + return suiteOfTests; + } + + /// Setup method + void setUp() {} + + /// Teardown method + void tearDown() {} + +protected: + void testCFM_A() { + + cout << "TEST CIFFileManager" << endl; + + CPPUNIT_ASSERT(fm->GetInLineValue("entry.id") == "25C8"); + CPPUNIT_ASSERT(fm->AtomLoop.RowsCount() == 72); + CPPUNIT_ASSERT(fm->AtomLoop.ColumnsCount() == 26); + CPPUNIT_ASSERT(fm->AtomLoop.GetCategoryGroup() == "atom_site"); + CPPUNIT_ASSERT(fm->AtomLoop.GetCellValue("Cartn_x",0) == "20.906 "); + } +}; diff --git a/Biopool/Tests/TestCIFLoader.h b/Biopool/Tests/TestCIFLoader.h new file mode 100644 index 0000000..ceb2ebe --- /dev/null +++ b/Biopool/Tests/TestCIFLoader.h @@ -0,0 +1,75 @@ +/* + * TestCIFLoader.h + * + * Created on: 2016/01/13 + * Author: Francesco Menniti + */ + +#include +#include +#include + +#include +#include +#include +#include +#include + +#include +#include + + +using namespace std; +using namespace Victor::Biopool; + +class TestCIFLoader : public CppUnit::TestFixture { + +private: + +public: + + TestCIFLoader() {;} + + static CppUnit::Test *suite() { + CppUnit::TestSuite *suiteOfTests = new CppUnit::TestSuite("TestCIFLoader"); + + suiteOfTests->addTest(new CppUnit::TestCaller("TEST TestCIFLoader.", + &TestCIFLoader::test_A )); + + return suiteOfTests; + } + + /// Setup method + void setUp() {} + + /// Teardown method + void tearDown() {} + +protected: + void test_A() { + + cout << "TEST TestCIFLoader" << endl; + + ifstream CIFFile("data/CIFTest.cif"); + CIFLoader cl(CIFFile); + + vector chains; + chains.push_back('A'); + chains.push_back('B'); + chains.push_back('C'); + chains.push_back('D'); + + CPPUNIT_ASSERT(cl.getMaxModels() == 2); + CPPUNIT_ASSERT(cl.getAllChains().size() == 4); + CPPUNIT_ASSERT(cl.getAllChains()[0] == chains[0]); + CPPUNIT_ASSERT(cl.getAllChains()[1] == chains[1]); + CPPUNIT_ASSERT(cl.getAllChains()[2] == chains[2]); + CPPUNIT_ASSERT(cl.getAllChains()[3] == chains[3]); + + Protein prot; + cl.setNoVerbose(); + cl.setNoHAtoms(); + prot.load(cl); + + } +}; diff --git a/Biopool/Tests/TestCIFLoop.h b/Biopool/Tests/TestCIFLoop.h new file mode 100644 index 0000000..cacdf99 --- /dev/null +++ b/Biopool/Tests/TestCIFLoop.h @@ -0,0 +1,69 @@ +/* + * TestCIFFileManager.h + * + * Created on: 2016/01/13 + * Author: Francesco Menniti + */ + +#include +#include +#include + +#include +#include +#include +#include +#include + +#include +#include + + +using namespace std; +using namespace Victor::Biopool; + +class TestCIFLoop : public CppUnit::TestFixture { + +private: + +public: + + TestCIFLoop() {;} + + static CppUnit::Test *suite() { + CppUnit::TestSuite *suiteOfTests = new CppUnit::TestSuite("TestCIFLoop"); + + suiteOfTests->addTest(new CppUnit::TestCaller("TEST TestCIFLoop.", + &TestCIFLoop::test_A )); + + return suiteOfTests; + } + + /// Setup method + void setUp() {} + + /// Teardown method + void tearDown() {} + +protected: + void test_A() { + + cout << "TEST TestCIFLoop" << endl; + + CIFLoop loop("atom_site"); + loop.AddColumn("_atom_site.group_PDB "); + loop.AddColumn("_atom_site.id "); + loop.AddColumn("_atom_site.type_symbol "); + loop.AddColumn("_atom_site.label_atom_id "); + + loop.AddRow("ATOM 1 N N "); + loop.AddRow("ATOM 2 C CA "); + loop.AddRow("ATOM 3 C C "); + + CPPUNIT_ASSERT(CIFLoop::DecodeCategory("_atom_site.group_PDB ") == "atom_site") ; + CPPUNIT_ASSERT(loop.ColumnsCount() == 4); + CPPUNIT_ASSERT(loop.RowsCount() == 3); + CPPUNIT_ASSERT(loop.GetCellValue("id", 2) == "3 "); + + } +}; diff --git a/Biopool/Tests/data/25C8.cif b/Biopool/Tests/data/25C8.cif new file mode 100644 index 0000000..8f0cac7 --- /dev/null +++ b/Biopool/Tests/data/25C8.cif @@ -0,0 +1,5598 @@ +data_25C8 +# +_entry.id 25C8 +# +_audit_conform.dict_name mmcif_pdbx.dic +_audit_conform.dict_version 4.007 +_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic +# +_database_2.database_id PDB +_database_2.database_code 25C8 +# +loop_ +_database_PDB_rev.num +_database_PDB_rev.date +_database_PDB_rev.date_original +_database_PDB_rev.status +_database_PDB_rev.replaces +_database_PDB_rev.mod_type +1 1999-03-23 1998-03-18 ? 25C8 0 +2 1999-07-09 ? ? 25C8 1 +3 2009-02-24 ? ? 25C8 1 +# +loop_ +_database_PDB_rev_record.rev_num +_database_PDB_rev_record.type +_database_PDB_rev_record.details +2 JRNL ? +3 VERSN ? +# +_pdbx_database_status.status_code REL +_pdbx_database_status.entry_id 25C8 +_pdbx_database_status.deposit_site ? +_pdbx_database_status.process_site ? +_pdbx_database_status.status_code_sf REL +_pdbx_database_status.status_code_mr ? +_pdbx_database_status.SG_entry ? +# +loop_ +_audit_author.name +_audit_author.pdbx_ordinal +'Gruber, K.' 1 +'Wilson, I.A.' 2 +# +loop_ +_citation.id +_citation.title +_citation.journal_abbrev +_citation.journal_volume +_citation.page_first +_citation.page_last +_citation.year +_citation.journal_id_ASTM +_citation.country +_citation.journal_id_ISSN +_citation.journal_id_CSD +_citation.book_publisher +_citation.pdbx_database_id_PubMed +_citation.pdbx_database_id_DOI +primary 'Structural basis for antibody catalysis of a disfavored ring closure reaction.' +Biochemistry 38 7062 7074 1999 BICHAW US 0006-2960 0033 ? 10353817 10.1021/bi990210s +1 'Ligand-Induced Conformational Changes in a Catalytic Antibody: Comparison of the Bound and Unbound Structure of Fab 5C8' +'To be Published' ? ? ? ? ? ? ? 0353 ? ? ? +# +loop_ +_citation_author.citation_id +_citation_author.name +_citation_author.ordinal +primary 'Gruber, K.' 1 +primary 'Zhou, B.' 2 +primary 'Houk, K.N.' 3 +primary 'Lerner, R.A.' 4 +primary 'Shevlin, C.G.' 5 +primary 'Wilson, I.A.' 6 +1 'Gruber, K.' 7 +1 'Heine, A.' 8 +1 'Stura, E.A.' 9 +1 'Shevlin, C.G.' 10 +1 'Wilson, I.A.' 11 +# +_cell.entry_id 25C8 +_cell.length_a 112.000 +_cell.length_b 80.000 +_cell.length_c 64.900 +_cell.angle_alpha 90.00 +_cell.angle_beta 118.00 +_cell.angle_gamma 90.00 +_cell.Z_PDB 4 +_cell.pdbx_unique_axis ? +# +_symmetry.entry_id 25C8 +_symmetry.space_group_name_H-M 'C 1 2 1' +_symmetry.pdbx_full_space_group_name_H-M ? +_symmetry.cell_setting ? +_symmetry.Int_Tables_number ? +# +loop_ +_entity.id +_entity.type +_entity.src_method +_entity.pdbx_description +_entity.formula_weight +_entity.pdbx_number_of_molecules +_entity.details +_entity.pdbx_mutation +_entity.pdbx_fragment +_entity.pdbx_ec +1 polymer nat 'IGG 5C8' 23148.650 1 ? ? FAB ? +2 polymer nat 'IGG 5C8' 23097.814 1 ? ? FAB ? +3 non-polymer syn 'N-METHYL-N-(PARA-GLUTARAMIDOPHENYL-ETHYL)-PIPERIDINIUM ION' 333.450 1 ? ? ? ? +4 water nat water 18.015 232 ? ? ? ? +# +loop_ +_entity_keywords.entity_id +_entity_keywords.text +1 ? +2 ? +3 ? +4 ? +# +loop_ +_entity_poly.entity_id +_entity_poly.type +_entity_poly.nstd_linkage +_entity_poly.nstd_monomer +_entity_poly.pdbx_seq_one_letter_code +_entity_poly.pdbx_seq_one_letter_code_can +_entity_poly.pdbx_strand_id +1 'polypeptide(L)' no no +;DIVLTQSPAIMSASLGERVTMTCTASSSVSSSNLHWYQQKPGSSPKLWIYSTSNLASGVPARFSGSGSGTSYSLTISSME +AEDAATYYCHQYHRSPYTFGGGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGV +LNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNR +; +;DIVLTQSPAIMSASLGERVTMTCTASSSVSSSNLHWYQQKPGSSPKLWIYSTSNLASGVPARFSGSGSGTSYSLTISSME +AEDAATYYCHQYHRSPYTFGGGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGV +LNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNR +; +L +2 'polypeptide(L)' no no +;EVQLQQSGAELVKPGASVKLSCTASGFNIKDTYMHWVKQKPEQGLEWIAQIDPANGNTKYDPKFQGKATITADTSSNTAY +LHLSSLTSEDSAVYYCAADPPYYGHGDYWGQGTTLTVSSAKTTPPSVYPLAPGSAAQTNSMVTLGCLVKGYFPEPVTVTW +NSGSLSSGVHTFPAVLQSDLYTLSSSVTVPSSTWPSETVTCNVAHPASSTKVDKKIV +; +;EVQLQQSGAELVKPGASVKLSCTASGFNIKDTYMHWVKQKPEQGLEWIAQIDPANGNTKYDPKFQGKATITADTSSNTAY +LHLSSLTSEDSAVYYCAADPPYYGHGDYWGQGTTLTVSSAKTTPPSVYPLAPGSAAQTNSMVTLGCLVKGYFPEPVTVTW +NSGSLSSGVHTFPAVLQSDLYTLSSSVTVPSSTWPSETVTCNVAHPASSTKVDKKIV +; +H +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.num +_entity_poly_seq.mon_id +_entity_poly_seq.hetero +1 1 ASP n +1 2 ILE n +1 3 VAL n +1 4 LEU n +1 5 THR n +1 6 GLN n +1 7 SER n +1 8 PRO n +1 9 ALA n +1 10 ILE n +1 11 MET n +1 12 SER n +1 13 ALA n +1 14 SER n +1 15 LEU n +1 16 GLY n +1 17 GLU n +1 18 ARG n +1 19 VAL n +1 20 THR n +1 21 MET n +1 22 THR n +1 23 CYS n +1 24 THR n +1 25 ALA n +1 26 SER n +1 27 SER n +1 28 SER n +1 29 VAL n +1 30 SER n +1 31 SER n +1 32 SER n +1 33 ASN n +1 34 LEU n +1 35 HIS n +1 36 TRP n +1 37 TYR n +1 38 GLN n +1 39 GLN n +1 40 LYS n +1 41 PRO n +1 42 GLY n +1 43 SER n +1 44 SER n +1 45 PRO n +1 46 LYS n +1 47 LEU n +1 48 TRP n +1 49 ILE n +1 50 TYR n +1 51 SER n +1 52 THR n +1 53 SER n +1 54 ASN n +1 55 LEU n +1 56 ALA n +1 57 SER n +1 58 GLY n +1 59 VAL n +1 60 PRO n +1 61 ALA n +1 62 ARG n +1 63 PHE n +1 64 SER n +1 65 GLY n +1 66 SER n +1 67 GLY n +1 68 SER n +1 69 GLY n +1 70 THR n +1 71 SER n +1 72 TYR n +1 73 SER n +1 74 LEU n +1 75 THR n +1 76 ILE n +1 77 SER n +1 78 SER n +1 79 MET n +1 80 GLU n +1 81 ALA n +1 82 GLU n +1 83 ASP n +1 84 ALA n +1 85 ALA n +1 86 THR n +1 87 TYR n +1 88 TYR n +1 89 CYS n +1 90 HIS n +1 91 GLN n +1 92 TYR n +1 93 HIS n +1 94 ARG n +1 95 SER n +1 96 PRO n +1 97 TYR n +1 98 THR n +1 99 PHE n +1 100 GLY n +1 101 GLY n +1 102 GLY n +1 103 THR n +1 104 LYS n +1 105 LEU n +1 106 GLU n +1 107 ILE n +1 108 LYS n +1 109 ARG n +1 110 ALA n +1 111 ASP n +1 112 ALA n +1 113 ALA n +1 114 PRO n +1 115 THR n +1 116 VAL n +1 117 SER n +1 118 ILE n +1 119 PHE n +1 120 PRO n +1 121 PRO n +1 122 SER n +1 123 SER n +1 124 GLU n +1 125 GLN n +1 126 LEU n +1 127 THR n +1 128 SER n +1 129 GLY n +1 130 GLY n +1 131 ALA n +1 132 SER n +1 133 VAL n +1 134 VAL n +1 135 CYS n +1 136 PHE n +1 137 LEU n +1 138 ASN n +1 139 ASN n +1 140 PHE n +1 141 TYR n +1 142 PRO n +1 143 LYS n +1 144 ASP n +1 145 ILE n +1 146 ASN n +1 147 VAL n +1 148 LYS n +1 149 TRP n +1 150 LYS n +1 151 ILE n +1 152 ASP n +1 153 GLY n +1 154 SER n +1 155 GLU n +1 156 ARG n +1 157 GLN n +1 158 ASN n +1 159 GLY n +1 160 VAL n +1 161 LEU n +1 162 ASN n +1 163 SER n +1 164 TRP n +1 165 THR n +1 166 ASP n +1 167 GLN n +1 168 ASP n +1 169 SER n +1 170 LYS n +1 171 ASP n +1 172 SER n +1 173 THR n +1 174 TYR n +1 175 SER n +1 176 MET n +1 177 SER n +1 178 SER n +1 179 THR n +1 180 LEU n +1 181 THR n +1 182 LEU n +1 183 THR n +1 184 LYS n +1 185 ASP n +1 186 GLU n +1 187 TYR n +1 188 GLU n +1 189 ARG n +1 190 HIS n +1 191 ASN n +1 192 SER n +1 193 TYR n +1 194 THR n +1 195 CYS n +1 196 GLU n +1 197 ALA n +1 198 THR n +1 199 HIS n +1 200 LYS n +1 201 THR n +1 202 SER n +1 203 THR n +1 204 SER n +1 205 PRO n +1 206 ILE n +1 207 VAL n +1 208 LYS n +1 209 SER n +1 210 PHE n +1 211 ASN n +1 212 ARG n +2 1 GLU n +2 2 VAL n +2 3 GLN n +2 4 LEU n +2 5 GLN n +2 6 GLN n +2 7 SER n +2 8 GLY n +2 9 ALA n +2 10 GLU n +2 11 LEU n +2 12 VAL n +2 13 LYS n +2 14 PRO n +2 15 GLY n +2 16 ALA n +2 17 SER n +2 18 VAL n +2 19 LYS n +2 20 LEU n +2 21 SER n +2 22 CYS n +2 23 THR n +2 24 ALA n +2 25 SER n +2 26 GLY n +2 27 PHE n +2 28 ASN n +2 29 ILE n +2 30 LYS n +2 31 ASP n +2 32 THR n +2 33 TYR n +2 34 MET n +2 35 HIS n +2 36 TRP n +2 37 VAL n +2 38 LYS n +2 39 GLN n +2 40 LYS n +2 41 PRO n +2 42 GLU n +2 43 GLN n +2 44 GLY n +2 45 LEU n +2 46 GLU n +2 47 TRP n +2 48 ILE n +2 49 ALA n +2 50 GLN n +2 51 ILE n +2 52 ASP n +2 53 PRO n +2 54 ALA n +2 55 ASN n +2 56 GLY n +2 57 ASN n +2 58 THR n +2 59 LYS n +2 60 TYR n +2 61 ASP n +2 62 PRO n +2 63 LYS n +2 64 PHE n +2 65 GLN n +2 66 GLY n +2 67 LYS n +2 68 ALA n +2 69 THR n +2 70 ILE n +2 71 THR n +2 72 ALA n +2 73 ASP n +2 74 THR n +2 75 SER n +2 76 SER n +2 77 ASN n +2 78 THR n +2 79 ALA n +2 80 TYR n +2 81 LEU n +2 82 HIS n +2 83 LEU n +2 84 SER n +2 85 SER n +2 86 LEU n +2 87 THR n +2 88 SER n +2 89 GLU n +2 90 ASP n +2 91 SER n +2 92 ALA n +2 93 VAL n +2 94 TYR n +2 95 TYR n +2 96 CYS n +2 97 ALA n +2 98 ALA n +2 99 ASP n +2 100 PRO n +2 101 PRO n +2 102 TYR n +2 103 TYR n +2 104 GLY n +2 105 HIS n +2 106 GLY n +2 107 ASP n +2 108 TYR n +2 109 TRP n +2 110 GLY n +2 111 GLN n +2 112 GLY n +2 113 THR n +2 114 THR n +2 115 LEU n +2 116 THR n +2 117 VAL n +2 118 SER n +2 119 SER n +2 120 ALA n +2 121 LYS n +2 122 THR n +2 123 THR n +2 124 PRO n +2 125 PRO n +2 126 SER n +2 127 VAL n +2 128 TYR n +2 129 PRO n +2 130 LEU n +2 131 ALA n +2 132 PRO n +2 133 GLY n +2 134 SER n +2 135 ALA n +2 136 ALA n +2 137 GLN n +2 138 THR n +2 139 ASN n +2 140 SER n +2 141 MET n +2 142 VAL n +2 143 THR n +2 144 LEU n +2 145 GLY n +2 146 CYS n +2 147 LEU n +2 148 VAL n +2 149 LYS n +2 150 GLY n +2 151 TYR n +2 152 PHE n +2 153 PRO n +2 154 GLU n +2 155 PRO n +2 156 VAL n +2 157 THR n +2 158 VAL n +2 159 THR n +2 160 TRP n +2 161 ASN n +2 162 SER n +2 163 GLY n +2 164 SER n +2 165 LEU n +2 166 SER n +2 167 SER n +2 168 GLY n +2 169 VAL n +2 170 HIS n +2 171 THR n +2 172 PHE n +2 173 PRO n +2 174 ALA n +2 175 VAL n +2 176 LEU n +2 177 GLN n +2 178 SER n +2 179 ASP n +2 180 LEU n +2 181 TYR n +2 182 THR n +2 183 LEU n +2 184 SER n +2 185 SER n +2 186 SER n +2 187 VAL n +2 188 THR n +2 189 VAL n +2 190 PRO n +2 191 SER n +2 192 SER n +2 193 THR n +2 194 TRP n +2 195 PRO n +2 196 SER n +2 197 GLU n +2 198 THR n +2 199 VAL n +2 200 THR n +2 201 CYS n +2 202 ASN n +2 203 VAL n +2 204 ALA n +2 205 HIS n +2 206 PRO n +2 207 ALA n +2 208 SER n +2 209 SER n +2 210 THR n +2 211 LYS n +2 212 VAL n +2 213 ASP n +2 214 LYS n +2 215 LYS n +2 216 ILE n +2 217 VAL n +# +loop_ +_entity_src_nat.entity_id +_entity_src_nat.common_name +_entity_src_nat.pdbx_organism_scientific +_entity_src_nat.pdbx_ncbi_taxonomy_id +_entity_src_nat.genus +_entity_src_nat.species +_entity_src_nat.strain +_entity_src_nat.tissue +_entity_src_nat.tissue_fraction +_entity_src_nat.pdbx_secretion +_entity_src_nat.pdbx_fragment +_entity_src_nat.pdbx_variant +_entity_src_nat.pdbx_cell_line +_entity_src_nat.pdbx_atcc +_entity_src_nat.pdbx_cellular_location +_entity_src_nat.pdbx_organ +_entity_src_nat.pdbx_organelle +_entity_src_nat.pdbx_cell +_entity_src_nat.pdbx_plasmid_name +_entity_src_nat.pdbx_plasmid_details +_entity_src_nat.details +1 'house mouse' 'Mus musculus' 10090 Mus ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +2 'house mouse' 'Mus musculus' 10090 Mus ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +# +loop_ +_struct_ref.id +_struct_ref.db_name +_struct_ref.db_code +_struct_ref.entity_id +_struct_ref.pdbx_db_accession +_struct_ref.pdbx_align_begin +_struct_ref.pdbx_seq_one_letter_code +_struct_ref.biol_id +1 UNP KAC_MOUSE 1 P01837 1 +;MDFQVQIFSFLLISASVIMSRGQIVLTQSPAIMSASLGERVTMTCTASSSVSSSYLHWYQQKPGSSPKLWIYSTSNLASG +VPARFSGSGSGTSYSLTISSMEAEDAATYYCHQYHRFPHTFGGGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVCFLN +NFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNEC +; +. +2 UNP IGH1M_MOUSE 2 P01869 1 +;QVKLLESGAELVKSGASVKLSCTASGFNIKDTYMHWVKQRPEQGLEWIGRIDPANGEIKYDPKFQGTATITADTSTNTAY +LQLSSLTSEDTAVYYCVRRGYGSSQEPYWGQGTTLTVSSAKTTPPSVYPLAPGSAAQTNSMVTLGCLVKGYFPEPVTVTW +NSGSLSSGVHTFPAVLQSDLYTLSSSVTVPSSTWPSETVTCNVAHPASSTKVDKKIVPRDC +; +. +# +loop_ +_struct_ref_seq.align_id +_struct_ref_seq.ref_id +_struct_ref_seq.pdbx_PDB_id_code +_struct_ref_seq.pdbx_strand_id +_struct_ref_seq.seq_align_beg +_struct_ref_seq.pdbx_seq_align_beg_ins_code +_struct_ref_seq.seq_align_end +_struct_ref_seq.pdbx_seq_align_end_ins_code +_struct_ref_seq.pdbx_db_accession +_struct_ref_seq.db_align_beg +_struct_ref_seq.pdbx_db_align_beg_ins_code +_struct_ref_seq.db_align_end +_struct_ref_seq.pdbx_db_align_end_ins_code +_struct_ref_seq.pdbx_auth_seq_align_beg +_struct_ref_seq.pdbx_auth_seq_align_end +1 1 25C8 L 2 ? 212 ? P01837 24 ? 234 ? 2 211 +2 2 25C8 H 2 ? 217 ? P01869 2 ? 217 ? 2 226 +# +loop_ +_struct_ref_seq_dif.align_id +_struct_ref_seq_dif.pdbx_pdb_id_code +_struct_ref_seq_dif.mon_id +_struct_ref_seq_dif.pdbx_pdb_strand_id +_struct_ref_seq_dif.seq_num +_struct_ref_seq_dif.pdbx_pdb_ins_code +_struct_ref_seq_dif.pdbx_seq_db_name +_struct_ref_seq_dif.pdbx_seq_db_accession_code +_struct_ref_seq_dif.db_mon_id +_struct_ref_seq_dif.pdbx_seq_db_seq_num +_struct_ref_seq_dif.details +_struct_ref_seq_dif.pdbx_auth_seq_num +_struct_ref_seq_dif.pdbx_ordinal +1 25C8 ASN L 33 ? UNP P01837 TYR 55 CONFLICT 32 1 +1 25C8 SER L 95 ? UNP P01837 PHE 117 CONFLICT 94 2 +1 25C8 TYR L 97 ? UNP P01837 HIS 119 CONFLICT 96 3 +2 25C8 GLN H 3 ? UNP P01869 LYS 3 CONFLICT 3 4 +2 25C8 GLN H 5 ? UNP P01869 LEU 5 CONFLICT 5 5 +2 25C8 GLN H 6 ? UNP P01869 GLU 6 CONFLICT 6 6 +2 25C8 PRO H 14 ? UNP P01869 SER 14 CONFLICT 14 7 +2 25C8 LYS H 40 ? UNP P01869 ARG 40 CONFLICT 40 8 +2 25C8 ALA H 49 ? UNP P01869 GLY 49 CONFLICT 49 9 +2 25C8 GLN H 50 ? UNP P01869 ARG 50 CONFLICT 50 10 +2 25C8 ASN H 57 ? UNP P01869 GLU 57 CONFLICT 56 11 +2 25C8 THR H 58 ? UNP P01869 ILE 58 CONFLICT 57 12 +2 25C8 LYS H 67 ? UNP P01869 THR 67 CONFLICT 66 13 +2 25C8 SER H 76 ? UNP P01869 THR 76 CONFLICT 75 14 +2 25C8 HIS H 82 ? UNP P01869 GLN 82 CONFLICT 81 15 +2 25C8 SER H 91 ? UNP P01869 THR 91 CONFLICT 87 16 +2 25C8 ALA H 97 ? UNP P01869 VAL 97 CONFLICT 93 17 +2 25C8 ALA H 98 ? UNP P01869 ARG 98 CONFLICT 94 18 +2 25C8 ASP H 99 ? UNP P01869 ARG 99 CONFLICT 95 19 +2 25C8 PRO H 100 ? UNP P01869 GLY 100 CONFLICT 96 20 +2 25C8 PRO H 101 ? UNP P01869 TYR 101 CONFLICT 97 21 +2 25C8 TYR H 102 ? UNP P01869 GLY 102 CONFLICT 98 22 +2 25C8 TYR H 103 ? UNP P01869 SER 103 CONFLICT 99 23 +2 25C8 GLY H 104 ? UNP P01869 SER 104 CONFLICT 100 24 +2 25C8 HIS H 105 A UNP P01869 GLN 105 CONFLICT 100 25 +2 25C8 GLY H 106 B UNP P01869 GLU 106 CONFLICT 100 26 +2 25C8 ASP H 107 ? UNP P01869 PRO 107 CONFLICT 101 27 +# +loop_ +_chem_comp.id +_chem_comp.type +_chem_comp.mon_nstd_flag +_chem_comp.name +_chem_comp.pdbx_synonyms +_chem_comp.formula +_chem_comp.formula_weight +ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.104 +ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.174 +VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.147 +LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.174 +THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.120 +GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.146 +SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 +PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.132 +ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.094 +MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.207 +GLY 'PEPTIDE LINKING' y GLYCINE ? 'C2 H5 N O2' 75.067 +GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.130 +ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.210 +CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.154 +ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.119 +HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.164 +TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.228 +TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.191 +LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.197 +PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.191 +GEP NON-POLYMER . 'N-METHYL-N-(PARA-GLUTARAMIDOPHENYL-ETHYL)-PIPERIDINIUM ION' ? 'C19 H29 N2 O3 1' 333.450 +HOH NON-POLYMER . WATER ? 'H2 O' 18.015 +# +_exptl.entry_id 25C8 +_exptl.method 'X-RAY DIFFRACTION' +_exptl.crystals_number 1 +# +_exptl_crystal.id 1 +_exptl_crystal.density_meas ? +_exptl_crystal.density_Matthews 2.7 +_exptl_crystal.density_percent_sol 54 +_exptl_crystal.description ? +# +_exptl_crystal_grow.crystal_id 1 +_exptl_crystal_grow.method ? +_exptl_crystal_grow.temp ? +_exptl_crystal_grow.temp_details ? +_exptl_crystal_grow.pH 5.5 +_exptl_crystal_grow.pdbx_pH_range ? +_exptl_crystal_grow.pdbx_details 'pH 5.5' +# +_diffrn.id 1 +_diffrn.ambient_temp 97 +_diffrn.ambient_temp_details ? +_diffrn.crystal_id 1 +# +_diffrn_detector.diffrn_id 1 +_diffrn_detector.detector 'IMAGE PLATE' +_diffrn_detector.type MARRESEARCH +_diffrn_detector.pdbx_collection_date 1996-12 +_diffrn_detector.details 'PT COATED FUSED SILICA MIRROR' +# +_diffrn_radiation.diffrn_id 1 +_diffrn_radiation.wavelength_id 1 +_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M +_diffrn_radiation.monochromator 'SI(111)' +_diffrn_radiation.pdbx_diffrn_protocol ? +_diffrn_radiation.pdbx_scattering_type x-ray +# +_diffrn_radiation_wavelength.id 1 +_diffrn_radiation_wavelength.wavelength 1.08 +_diffrn_radiation_wavelength.wt 1.0 +# +_diffrn_source.diffrn_id 1 +_diffrn_source.source SYNCHROTRON +_diffrn_source.type 'SSRL BEAMLINE BL7-1' +_diffrn_source.pdbx_synchrotron_site SSRL +_diffrn_source.pdbx_synchrotron_beamline BL7-1 +_diffrn_source.pdbx_wavelength 1.08 +_diffrn_source.pdbx_wavelength_list ? +# +_reflns.entry_id 25C8 +_reflns.observed_criterion_sigma_I -3 +_reflns.observed_criterion_sigma_F ? +_reflns.d_resolution_low 25.0 +_reflns.d_resolution_high 2.0 +_reflns.number_obs 33080 +_reflns.number_all ? +_reflns.percent_possible_obs 96.7 +_reflns.pdbx_Rmerge_I_obs ? +_reflns.pdbx_Rsym_value 0.057 +_reflns.pdbx_netI_over_sigmaI 16.9 +_reflns.B_iso_Wilson_estimate 29.2 +_reflns.pdbx_redundancy 7.0 +_reflns.pdbx_ordinal 1 +_reflns.pdbx_diffrn_id 1 +# +_reflns_shell.d_res_high 2.00 +_reflns_shell.d_res_low 2.03 +_reflns_shell.percent_possible_all 93.4 +_reflns_shell.Rmerge_I_obs ? +_reflns_shell.pdbx_Rsym_value 0.304 +_reflns_shell.meanI_over_sigI_obs 2.9 +_reflns_shell.pdbx_redundancy ? +_reflns_shell.pdbx_ordinal 1 +_reflns_shell.pdbx_diffrn_id 1 +# +_computing.entry_id 25C8 +_computing.pdbx_data_reduction_ii DENZO +_computing.pdbx_data_reduction_ds SCALEPACK +_computing.data_collection ? +_computing.structure_solution AMORE +_computing.structure_refinement 'X-PLOR 3.851' +_computing.pdbx_structure_refinement_method ? +# +_refine.entry_id 25C8 +_refine.ls_number_reflns_obs 33080 +_refine.ls_number_reflns_all ? +_refine.pdbx_ls_sigma_I ? +_refine.pdbx_ls_sigma_F 0 +_refine.pdbx_data_cutoff_high_absF ? +_refine.pdbx_data_cutoff_low_absF ? +_refine.pdbx_data_cutoff_high_rms_absF ? +_refine.ls_d_res_low 25.00 +_refine.ls_d_res_high 2.00 +_refine.ls_percent_reflns_obs 96.7 +_refine.ls_R_factor_obs 0.229 +_refine.ls_R_factor_all ? +_refine.ls_R_factor_R_work 0.229 +_refine.ls_R_factor_R_free 0.292 +_refine.ls_R_factor_R_free_error 0.006 +_refine.ls_R_factor_R_free_error_details ? +_refine.ls_percent_reflns_R_free 7.6 +_refine.ls_number_reflns_R_free 2505 +_refine.ls_number_parameters ? +_refine.ls_number_restraints ? +_refine.occupancy_min ? +_refine.occupancy_max ? +_refine.B_iso_mean 39.6 +_refine.aniso_B[1][1] 3.72 +_refine.aniso_B[2][2] 7.70 +_refine.aniso_B[3][3] 10.93 +_refine.aniso_B[1][2] 0.00 +_refine.aniso_B[1][3] 5.84 +_refine.aniso_B[2][3] 0.00 +_refine.solvent_model_details ? +_refine.solvent_model_param_ksol ? +_refine.solvent_model_param_bsol ? +_refine.pdbx_ls_cross_valid_method THROUGHOUT +_refine.details 'BULK SOLVENT MODEL USED' +_refine.pdbx_starting_model 'FREE FAB 5C8' +_refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' +_refine.pdbx_isotropic_thermal_model RESTRAINED +_refine.pdbx_stereochemistry_target_values ? +_refine.pdbx_stereochem_target_val_spec_case ? +_refine.pdbx_R_Free_selection_details RANDOM +_refine.pdbx_overall_ESU_R ? +_refine.pdbx_overall_ESU_R_Free ? +_refine.overall_SU_ML ? +_refine.overall_SU_B ? +_refine.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine.pdbx_diffrn_id 1 +# +_refine_analyze.entry_id 25C8 +_refine_analyze.Luzzati_coordinate_error_obs 0.29 +_refine_analyze.Luzzati_sigma_a_obs 0.33 +_refine_analyze.Luzzati_d_res_low_obs 5.00 +_refine_analyze.Luzzati_coordinate_error_free 0.36 +_refine_analyze.Luzzati_sigma_a_free 0.32 +_refine_analyze.Luzzati_d_res_low_free ? +_refine_analyze.number_disordered_residues ? +_refine_analyze.occupancy_sum_hydrogen ? +_refine_analyze.occupancy_sum_non_hydrogen ? +_refine_analyze.pdbx_refine_id 'X-RAY DIFFRACTION' +# +_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine_hist.cycle_id LAST +_refine_hist.pdbx_number_atoms_protein 3251 +_refine_hist.pdbx_number_atoms_nucleic_acid 0 +_refine_hist.pdbx_number_atoms_ligand 24 +_refine_hist.number_atoms_solvent 232 +_refine_hist.number_atoms_total 3507 +_refine_hist.d_res_high 2.00 +_refine_hist.d_res_low 25.00 +# +loop_ +_refine_ls_restr.type +_refine_ls_restr.dev_ideal +_refine_ls_restr.dev_ideal_target +_refine_ls_restr.weight +_refine_ls_restr.number +_refine_ls_restr.pdbx_refine_id +x_bond_d 0.007 ? ? ? 'X-RAY DIFFRACTION' +x_bond_d_na ? ? ? ? 'X-RAY DIFFRACTION' +x_bond_d_prot ? ? ? ? 'X-RAY DIFFRACTION' +x_angle_d ? ? ? ? 'X-RAY DIFFRACTION' +x_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' +x_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' +x_angle_deg 1.4 ? ? ? 'X-RAY DIFFRACTION' +x_angle_deg_na ? ? ? ? 'X-RAY DIFFRACTION' +x_angle_deg_prot ? ? ? ? 'X-RAY DIFFRACTION' +x_dihedral_angle_d 30.0 ? ? ? 'X-RAY DIFFRACTION' +x_dihedral_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' +x_dihedral_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' +x_improper_angle_d 0.7 ? ? ? 'X-RAY DIFFRACTION' +x_improper_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' +x_improper_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' +x_mcbond_it 2.53 1.50 ? ? 'X-RAY DIFFRACTION' +x_mcangle_it 4.05 2.00 ? ? 'X-RAY DIFFRACTION' +x_scbond_it 3.29 2.00 ? ? 'X-RAY DIFFRACTION' +x_scangle_it 4.69 2.50 ? ? 'X-RAY DIFFRACTION' +# +_refine_ls_shell.pdbx_total_number_of_bins_used 20 +_refine_ls_shell.d_res_high 2.00 +_refine_ls_shell.d_res_low 2.03 +_refine_ls_shell.number_reflns_R_work 1473 +_refine_ls_shell.R_factor_R_work 0.35 +_refine_ls_shell.percent_reflns_obs 93.4 +_refine_ls_shell.R_factor_R_free 0.371 +_refine_ls_shell.R_factor_R_free_error 0.037 +_refine_ls_shell.percent_reflns_R_free 7.9 +_refine_ls_shell.number_reflns_R_free 117 +_refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' +# +loop_ +_pdbx_xplor_file.serial_no +_pdbx_xplor_file.param_file +_pdbx_xplor_file.topol_file +_pdbx_xplor_file.pdbx_refine_id +1 PARHCSDX.PRO TOPHCSDX.PRO 'X-RAY DIFFRACTION' +2 NME.PAR TOPH19.SOL 'X-RAY DIFFRACTION' +3 ? NME.TOP 'X-RAY DIFFRACTION' +# +_struct.entry_id 25C8 +_struct.title 'CATALYTIC ANTIBODY 5C8, FAB-HAPTEN COMPLEX' +_struct.pdbx_descriptor 'IGG 5C8, N-METHYL-N-(PARA-GLUTARAMIDOPHENYL-ETHYL)-PIPERIDINIUM ION' +_struct.pdbx_model_details ? +_struct.pdbx_CASP_flag ? +_struct.pdbx_model_type_details ? +# +_struct_keywords.entry_id 25C8 +_struct_keywords.pdbx_keywords 'CATALYTIC ANTIBODY' +_struct_keywords.text 'CATALYTIC ANTIBODY, FAB, RING CLOSURE REACTION' +# +loop_ +_struct_asym.id +_struct_asym.pdbx_blank_PDB_chainid_flag +_struct_asym.pdbx_modified +_struct_asym.entity_id +_struct_asym.details +A N N 1 ? +B N N 2 ? +C N N 3 ? +D N N 4 ? +E N N 4 ? +# +_struct_biol.id 1 +# +loop_ +_struct_conf.conf_type_id +_struct_conf.id +_struct_conf.pdbx_PDB_helix_id +_struct_conf.beg_label_comp_id +_struct_conf.beg_label_asym_id +_struct_conf.beg_label_seq_id +_struct_conf.pdbx_beg_PDB_ins_code +_struct_conf.end_label_comp_id +_struct_conf.end_label_asym_id +_struct_conf.end_label_seq_id +_struct_conf.pdbx_end_PDB_ins_code +_struct_conf.beg_auth_comp_id +_struct_conf.beg_auth_asym_id +_struct_conf.beg_auth_seq_id +_struct_conf.end_auth_comp_id +_struct_conf.end_auth_asym_id +_struct_conf.end_auth_seq_id +_struct_conf.pdbx_PDB_helix_class +_struct_conf.details +_struct_conf.pdbx_PDB_helix_length +HELX_P HELX_P1 1 SER A 123 ? SER A 128 ? SER L 122 SER L 127 1 ? 6 +HELX_P HELX_P2 2 ASP A 185 ? GLU A 188 ? ASP L 184 GLU L 187 1 ? 4 +# +_struct_conf_type.id HELX_P +_struct_conf_type.criteria ? +_struct_conf_type.reference ? +# +loop_ +_struct_conn.id +_struct_conn.conn_type_id +_struct_conn.pdbx_PDB_id +_struct_conn.ptnr1_label_asym_id +_struct_conn.ptnr1_label_comp_id +_struct_conn.ptnr1_label_seq_id +_struct_conn.ptnr1_label_atom_id +_struct_conn.pdbx_ptnr1_label_alt_id +_struct_conn.pdbx_ptnr1_PDB_ins_code +_struct_conn.pdbx_ptnr1_standard_comp_id +_struct_conn.ptnr1_symmetry +_struct_conn.ptnr2_label_asym_id +_struct_conn.ptnr2_label_comp_id +_struct_conn.ptnr2_label_seq_id +_struct_conn.ptnr2_label_atom_id +_struct_conn.pdbx_ptnr2_label_alt_id +_struct_conn.pdbx_ptnr2_PDB_ins_code +_struct_conn.ptnr1_auth_asym_id +_struct_conn.ptnr1_auth_comp_id +_struct_conn.ptnr1_auth_seq_id +_struct_conn.ptnr2_auth_asym_id +_struct_conn.ptnr2_auth_comp_id +_struct_conn.ptnr2_auth_seq_id +_struct_conn.ptnr2_symmetry +_struct_conn.pdbx_ptnr3_label_atom_id +_struct_conn.pdbx_ptnr3_label_seq_id +_struct_conn.pdbx_ptnr3_label_comp_id +_struct_conn.pdbx_ptnr3_label_asym_id +_struct_conn.pdbx_ptnr3_label_alt_id +_struct_conn.pdbx_ptnr3_PDB_ins_code +_struct_conn.details +_struct_conn.pdbx_dist_value +_struct_conn.pdbx_value_order +disulf1 disulf ? A CYS 23 SG ? ? ? 1_555 A CYS 89 SG ? ? L CYS 23 L CYS 88 1_555 ? ? ? ? ? ? ? 2.044 ? +disulf2 disulf ? A CYS 135 SG ? ? ? 1_555 A CYS 195 SG ? ? L CYS 134 L CYS 194 1_555 ? ? ? ? ? ? ? 2.036 ? +disulf3 disulf ? B CYS 22 SG ? ? ? 1_555 B CYS 96 SG ? ? H CYS 22 H CYS 92 1_555 ? ? ? ? ? ? ? 2.027 ? +disulf4 disulf ? B CYS 146 SG ? ? ? 1_555 B CYS 201 SG ? ? H CYS 142 H CYS 208 1_555 ? ? ? ? ? ? ? 2.032 ? +# +_struct_conn_type.id disulf +_struct_conn_type.criteria ? +_struct_conn_type.reference ? +# +loop_ +_struct_mon_prot_cis.pdbx_id +_struct_mon_prot_cis.label_comp_id +_struct_mon_prot_cis.label_seq_id +_struct_mon_prot_cis.label_asym_id +_struct_mon_prot_cis.label_alt_id +_struct_mon_prot_cis.pdbx_PDB_ins_code +_struct_mon_prot_cis.auth_comp_id +_struct_mon_prot_cis.auth_seq_id +_struct_mon_prot_cis.auth_asym_id +_struct_mon_prot_cis.pdbx_label_comp_id_2 +_struct_mon_prot_cis.pdbx_label_seq_id_2 +_struct_mon_prot_cis.pdbx_label_asym_id_2 +_struct_mon_prot_cis.pdbx_PDB_ins_code_2 +_struct_mon_prot_cis.pdbx_auth_comp_id_2 +_struct_mon_prot_cis.pdbx_auth_seq_id_2 +_struct_mon_prot_cis.pdbx_auth_asym_id_2 +_struct_mon_prot_cis.pdbx_PDB_model_num +_struct_mon_prot_cis.pdbx_omega_angle +1 SER 7 A . ? SER 7 L PRO 8 A ? PRO 8 L 1 -0.23 +2 SER 95 A . ? SER 94 L PRO 96 A ? PRO 95 L 1 0.11 +3 TYR 141 A . ? TYR 140 L PRO 142 A ? PRO 141 L 1 -0.03 +4 PHE 152 B . ? PHE 148 H PRO 153 B ? PRO 149 H 1 -0.26 +5 GLU 154 B . ? GLU 150 H PRO 155 B ? PRO 151 H 1 -0.34 +6 TRP 194 B . ? TRP 199 H PRO 195 B ? PRO 200 H 1 0.28 +# +loop_ +_struct_sheet.id +_struct_sheet.type +_struct_sheet.number_strands +_struct_sheet.details +A ? 4 ? +B ? 5 ? +C ? 4 ? +D ? 4 ? +E ? 4 ? +F ? 6 ? +G ? 4 ? +H ? 3 ? +# +loop_ +_struct_sheet_order.sheet_id +_struct_sheet_order.range_id_1 +_struct_sheet_order.range_id_2 +_struct_sheet_order.offset +_struct_sheet_order.sense +A 1 2 ? anti-parallel +A 2 3 ? anti-parallel +A 3 4 ? anti-parallel +B 1 2 ? parallel +B 2 3 ? anti-parallel +B 3 4 ? anti-parallel +B 4 5 ? anti-parallel +C 1 2 ? anti-parallel +C 2 3 ? anti-parallel +C 3 4 ? anti-parallel +D 1 2 ? anti-parallel +D 2 3 ? anti-parallel +D 3 4 ? anti-parallel +E 1 2 ? anti-parallel +E 2 3 ? anti-parallel +E 3 4 ? anti-parallel +F 1 2 ? parallel +F 2 3 ? anti-parallel +F 3 4 ? anti-parallel +F 4 5 ? anti-parallel +F 5 6 ? anti-parallel +G 1 2 ? anti-parallel +G 2 3 ? anti-parallel +G 3 4 ? anti-parallel +H 1 2 ? anti-parallel +H 2 3 ? anti-parallel +# +loop_ +_struct_sheet_range.sheet_id +_struct_sheet_range.id +_struct_sheet_range.beg_label_comp_id +_struct_sheet_range.beg_label_asym_id +_struct_sheet_range.beg_label_seq_id +_struct_sheet_range.pdbx_beg_PDB_ins_code +_struct_sheet_range.end_label_comp_id +_struct_sheet_range.end_label_asym_id +_struct_sheet_range.end_label_seq_id +_struct_sheet_range.pdbx_end_PDB_ins_code +_struct_sheet_range.symmetry +_struct_sheet_range.beg_auth_comp_id +_struct_sheet_range.beg_auth_asym_id +_struct_sheet_range.beg_auth_seq_id +_struct_sheet_range.end_auth_comp_id +_struct_sheet_range.end_auth_asym_id +_struct_sheet_range.end_auth_seq_id +A 1 LEU A 4 ? SER A 7 ? ? LEU L 4 SER L 7 +A 2 VAL A 19 ? ALA A 25 ? ? VAL L 19 ALA L 25 +A 3 SER A 71 ? ILE A 76 ? ? SER L 70 ILE L 75 +A 4 PHE A 63 ? SER A 68 ? ? PHE L 62 SER L 67 +B 1 ILE A 10 ? ALA A 13 ? ? ILE L 10 ALA L 13 +B 2 THR A 103 ? ILE A 107 ? ? THR L 102 ILE L 106 +B 3 ALA A 85 ? GLN A 91 ? ? ALA L 84 GLN L 90 +B 4 LEU A 34 ? GLN A 39 ? ? LEU L 33 GLN L 38 +B 5 LYS A 46 ? ILE A 49 ? ? LYS L 45 ILE L 48 +C 1 THR A 115 ? PHE A 119 ? ? THR L 114 PHE L 118 +C 2 GLY A 130 ? ASN A 138 ? ? GLY L 129 ASN L 137 +C 3 MET A 176 ? THR A 183 ? ? MET L 175 THR L 182 +C 4 VAL A 160 ? TRP A 164 ? ? VAL L 159 TRP L 163 +D 1 SER A 154 ? ARG A 156 ? ? SER L 153 ARG L 155 +D 2 ILE A 145 ? ILE A 151 ? ? ILE L 144 ILE L 150 +D 3 SER A 192 ? HIS A 199 ? ? SER L 191 HIS L 198 +D 4 ILE A 206 ? ASN A 211 ? ? ILE L 205 ASN L 210 +E 1 GLN B 3 ? GLN B 6 ? ? GLN H 3 GLN H 6 +E 2 VAL B 18 ? SER B 25 ? ? VAL H 18 SER H 25 +E 3 THR B 78 ? LEU B 83 ? ? THR H 77 LEU H 82 +E 4 ALA B 68 ? ASP B 73 ? ? ALA H 67 ASP H 72 +F 1 GLU B 10 ? VAL B 12 ? ? GLU H 10 VAL H 12 +F 2 THR B 113 ? VAL B 117 ? ? THR H 107 VAL H 111 +F 3 ALA B 92 ? ALA B 98 ? ? ALA H 88 ALA H 94 +F 4 MET B 34 ? GLN B 39 ? ? MET H 34 GLN H 39 +F 5 LEU B 45 ? ASP B 52 ? ? LEU H 45 ASP H 52 +F 6 ASN B 57 ? TYR B 60 ? ? ASN H 56 TYR H 59 +G 1 SER B 126 ? LEU B 130 ? ? SER H 120 LEU H 124 +G 2 MET B 141 ? TYR B 151 ? ? MET H 137 TYR H 147 +G 3 TYR B 181 ? PRO B 190 ? ? TYR H 185 PRO H 194 +G 4 VAL B 169 ? THR B 171 ? ? VAL H 171 THR H 173 +H 1 VAL B 156 ? TRP B 160 ? ? VAL H 152 TRP H 157 +H 2 VAL B 199 ? HIS B 205 ? ? VAL H 205 HIS H 212 +H 3 THR B 210 ? ILE B 216 ? ? THR H 217 ILE H 223 +# +loop_ +_pdbx_struct_sheet_hbond.sheet_id +_pdbx_struct_sheet_hbond.range_id_1 +_pdbx_struct_sheet_hbond.range_id_2 +_pdbx_struct_sheet_hbond.range_1_label_atom_id +_pdbx_struct_sheet_hbond.range_1_label_comp_id +_pdbx_struct_sheet_hbond.range_1_label_asym_id +_pdbx_struct_sheet_hbond.range_1_label_seq_id +_pdbx_struct_sheet_hbond.range_1_PDB_ins_code +_pdbx_struct_sheet_hbond.range_1_auth_atom_id +_pdbx_struct_sheet_hbond.range_1_auth_comp_id +_pdbx_struct_sheet_hbond.range_1_auth_asym_id +_pdbx_struct_sheet_hbond.range_1_auth_seq_id +_pdbx_struct_sheet_hbond.range_2_label_atom_id +_pdbx_struct_sheet_hbond.range_2_label_comp_id +_pdbx_struct_sheet_hbond.range_2_label_asym_id +_pdbx_struct_sheet_hbond.range_2_label_seq_id +_pdbx_struct_sheet_hbond.range_2_PDB_ins_code +_pdbx_struct_sheet_hbond.range_2_auth_atom_id +_pdbx_struct_sheet_hbond.range_2_auth_comp_id +_pdbx_struct_sheet_hbond.range_2_auth_asym_id +_pdbx_struct_sheet_hbond.range_2_auth_seq_id +A 1 2 O THR A 5 ? O THR L 5 N THR A 24 ? N THR L 24 +A 2 3 O VAL A 19 ? O VAL L 19 N ILE A 76 ? N ILE L 75 +A 3 4 O SER A 71 ? O SER L 70 N SER A 68 ? N SER L 67 +B 1 2 O MET A 11 ? O MET L 11 N LYS A 104 ? N LYS L 103 +B 2 3 O THR A 103 ? O THR L 102 N TYR A 87 ? N TYR L 86 +B 3 4 O THR A 86 ? O THR L 85 N GLN A 39 ? N GLN L 38 +B 4 5 O TRP A 36 ? O TRP L 35 N ILE A 49 ? N ILE L 48 +C 1 2 O THR A 115 ? O THR L 114 N ASN A 138 ? N ASN L 137 +C 2 3 O ALA A 131 ? O ALA L 130 N LEU A 182 ? N LEU L 181 +C 3 4 O SER A 177 ? O SER L 176 N SER A 163 ? N SER L 162 +D 1 2 O SER A 154 ? O SER L 153 N ILE A 151 ? N ILE L 150 +D 2 3 O ASN A 146 ? O ASN L 145 N THR A 198 ? N THR L 197 +D 3 4 O TYR A 193 ? O TYR L 192 N PHE A 210 ? N PHE L 209 +E 1 2 O GLN B 3 ? O GLN H 3 N SER B 25 ? N SER H 25 +E 2 3 O VAL B 18 ? O VAL H 18 N LEU B 83 ? N LEU H 82 +E 3 4 O THR B 78 ? O THR H 77 N ASP B 73 ? N ASP H 72 +F 1 2 O GLU B 10 ? O GLU H 10 N THR B 116 ? N THR H 110 +F 2 3 O THR B 113 ? O THR H 107 N TYR B 94 ? N TYR H 90 +F 3 4 O VAL B 93 ? O VAL H 89 N GLN B 39 ? N GLN H 39 +F 4 5 O MET B 34 ? O MET H 34 N ILE B 51 ? N ILE H 51 +F 5 6 O GLN B 50 ? O GLN H 50 N LYS B 59 ? N LYS H 58 +G 1 2 O SER B 126 ? O SER H 120 N LYS B 149 ? N LYS H 145 +G 2 3 O VAL B 142 ? O VAL H 138 N VAL B 189 ? N VAL H 193 +G 3 4 O SER B 186 ? O SER H 190 N HIS B 170 ? N HIS H 172 +H 1 2 O THR B 157 ? O THR H 153 N ALA B 204 ? N ALA H 211 +H 2 3 O VAL B 199 ? O VAL H 205 N ILE B 216 ? N ILE H 223 +# +_struct_site.id AC1 +_struct_site.details 'BINDING SITE FOR RESIDUE GEP L 212' +_struct_site.pdbx_evidence_code SOFTWARE +# +loop_ +_struct_site_gen.id +_struct_site_gen.site_id +_struct_site_gen.pdbx_num_res +_struct_site_gen.label_comp_id +_struct_site_gen.label_asym_id +_struct_site_gen.label_seq_id +_struct_site_gen.pdbx_auth_ins_code +_struct_site_gen.auth_comp_id +_struct_site_gen.auth_asym_id +_struct_site_gen.auth_seq_id +_struct_site_gen.label_atom_id +_struct_site_gen.label_alt_id +_struct_site_gen.symmetry +_struct_site_gen.details +1 AC1 12 HIS B 35 ? HIS H 35 . . 1_555 ? +2 AC1 12 ALA B 97 ? ALA H 93 . . 1_555 ? +3 AC1 12 ASP B 99 ? ASP H 95 . . 1_555 ? +4 AC1 12 PRO B 100 ? PRO H 96 . . 1_555 ? +5 AC1 12 GLY B 104 ? GLY H 100 . . 1_555 ? +6 AC1 12 HIS B 105 A HIS H 100 . . 1_555 ? +7 AC1 12 GLY B 106 B GLY H 100 . . 1_555 ? +8 AC1 12 ASP B 107 ? ASP H 101 . . 1_555 ? +9 AC1 12 TYR A 37 ? TYR L 36 . . 1_555 ? +10 AC1 12 LEU A 47 ? LEU L 46 . . 1_555 ? +11 AC1 12 TYR A 50 ? TYR L 49 . . 1_555 ? +12 AC1 12 TYR A 92 ? TYR L 91 . . 1_555 ? +# +_database_PDB_matrix.entry_id 25C8 +_database_PDB_matrix.origx[1][1] 1.000000 +_database_PDB_matrix.origx[1][2] 0.000000 +_database_PDB_matrix.origx[1][3] 0.000000 +_database_PDB_matrix.origx[2][1] 0.000000 +_database_PDB_matrix.origx[2][2] 1.000000 +_database_PDB_matrix.origx[2][3] 0.000000 +_database_PDB_matrix.origx[3][1] 0.000000 +_database_PDB_matrix.origx[3][2] 0.000000 +_database_PDB_matrix.origx[3][3] 1.000000 +_database_PDB_matrix.origx_vector[1] 0.00000 +_database_PDB_matrix.origx_vector[2] 0.00000 +_database_PDB_matrix.origx_vector[3] 0.00000 +# +_atom_sites.entry_id 25C8 +_atom_sites.Cartn_transform_axes ? +_atom_sites.fract_transf_matrix[1][1] 0.008929 +_atom_sites.fract_transf_matrix[1][2] 0.000000 +_atom_sites.fract_transf_matrix[1][3] 0.004747 +_atom_sites.fract_transf_matrix[2][1] 0.000000 +_atom_sites.fract_transf_matrix[2][2] 0.012500 +_atom_sites.fract_transf_matrix[2][3] 0.000000 +_atom_sites.fract_transf_matrix[3][1] 0.000000 +_atom_sites.fract_transf_matrix[3][2] 0.000000 +_atom_sites.fract_transf_matrix[3][3] 0.017451 +_atom_sites.fract_transf_vector[1] 0.00000 +_atom_sites.fract_transf_vector[2] 0.00000 +_atom_sites.fract_transf_vector[3] 0.00000 +# +loop_ +_atom_type.symbol +N +C +O +S +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +_atom_site.Cartn_x_esd +_atom_site.Cartn_y_esd +_atom_site.Cartn_z_esd +_atom_site.occupancy_esd +_atom_site.B_iso_or_equiv_esd +_atom_site.pdbx_formal_charge +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.pdbx_PDB_model_num +ATOM 1 N N . ASP A 1 1 ? 20.906 -15.638 12.067 1.00 47.61 ? ? ? ? ? ? 1 ASP L N 1 +ATOM 2 C CA . ASP A 1 1 ? 22.290 -15.122 12.255 1.00 43.71 ? ? ? ? ? ? 1 ASP L CA 1 +ATOM 3 C C . ASP A 1 1 ? 23.217 -16.226 12.755 1.00 39.92 ? ? ? ? ? ? 1 ASP L C 1 +ATOM 4 O O . ASP A 1 1 ? 23.358 -16.444 13.953 1.00 40.04 ? ? ? ? ? ? 1 ASP L O 1 +ATOM 5 C CB . ASP A 1 1 ? 22.272 -13.964 13.248 1.00 46.21 ? ? ? ? ? ? 1 ASP L CB 1 +ATOM 6 C CG . ASP A 1 1 ? 21.011 -13.950 14.085 1.00 50.61 ? ? ? ? ? ? 1 ASP L CG 1 +ATOM 7 O OD1 . ASP A 1 1 ? 20.696 -14.987 14.702 1.00 56.57 ? ? ? ? ? ? 1 ASP L OD1 1 +ATOM 8 O OD2 . ASP A 1 1 ? 20.326 -12.910 14.124 1.00 56.60 ? ? ? ? ? ? 1 ASP L OD2 1 +ATOM 9 N N . ILE A 1 2 ? 23.829 -16.941 11.824 1.00 34.30 ? ? ? ? ? ? 2 ILE L N 1 +ATOM 10 C CA . ILE A 1 2 ? 24.762 -17.997 12.187 1.00 31.02 ? ? ? ? ? ? 2 ILE L CA 1 +ATOM 11 C C . ILE A 1 2 ? 26.070 -17.316 12.586 1.00 27.13 ? ? ? ? ? ? 2 ILE L C 1 +ATOM 12 O O . ILE A 1 2 ? 26.765 -16.747 11.751 1.00 28.79 ? ? ? ? ? ? 2 ILE L O 1 +ATOM 13 C CB . ILE A 1 2 ? 25.008 -18.957 10.995 1.00 30.40 ? ? ? ? ? ? 2 ILE L CB 1 +ATOM 14 C CG1 . ILE A 1 2 ? 23.716 -19.705 10.660 1.00 28.41 ? ? ? ? ? ? 2 ILE L CG1 1 +ATOM 15 C CG2 . ILE A 1 2 ? 26.128 -19.937 11.320 1.00 26.66 ? ? ? ? ? ? 2 ILE L CG2 1 +ATOM 16 C CD1 . ILE A 1 2 ? 23.709 -20.336 9.277 1.00 29.60 ? ? ? ? ? ? 2 ILE L CD1 1 +ATOM 17 N N . VAL A 1 3 ? 26.395 -17.367 13.871 1.00 25.00 ? ? ? ? ? ? 3 VAL L N 1 +ATOM 18 C CA . VAL A 1 3 ? 27.603 -16.736 14.372 1.00 24.58 ? ? ? ? ? ? 3 VAL L CA 1 +ATOM 19 C C . VAL A 1 3 ? 28.822 -17.618 14.184 1.00 24.54 ? ? ? ? ? ? 3 VAL L C 1 +ATOM 20 O O . VAL A 1 3 ? 28.787 -18.810 14.497 1.00 26.07 ? ? ? ? ? ? 3 VAL L O 1 +ATOM 21 C CB . VAL A 1 3 ? 27.461 -16.402 15.871 1.00 25.45 ? ? ? ? ? ? 3 VAL L CB 1 +ATOM 22 C CG1 . VAL A 1 3 ? 28.754 -15.797 16.399 1.00 24.45 ? ? ? ? ? ? 3 VAL L CG1 1 +ATOM 23 C CG2 . VAL A 1 3 ? 26.291 -15.457 16.078 1.00 25.38 ? ? ? ? ? ? 3 VAL L CG2 1 +ATOM 24 N N . LEU A 1 4 ? 29.899 -17.026 13.675 1.00 23.73 ? ? ? ? ? ? 4 LEU L N 1 +ATOM 25 C CA . LEU A 1 4 ? 31.145 -17.754 13.456 1.00 23.33 ? ? ? ? ? ? 4 LEU L CA 1 +ATOM 26 C C . LEU A 1 4 ? 32.192 -17.270 14.449 1.00 26.33 ? ? ? ? ? ? 4 LEU L C 1 +ATOM 27 O O . LEU A 1 4 ? 32.403 -16.064 14.602 1.00 29.53 ? ? ? ? ? ? 4 LEU L O 1 +ATOM 28 C CB . LEU A 1 4 ? 31.649 -17.545 12.025 1.00 20.09 ? ? ? ? ? ? 4 LEU L CB 1 +ATOM 29 C CG . LEU A 1 4 ? 30.691 -17.835 10.862 1.00 17.59 ? ? ? ? ? ? 4 LEU L CG 1 +ATOM 30 C CD1 . LEU A 1 4 ? 31.376 -17.452 9.566 1.00 17.43 ? ? ? ? ? ? 4 LEU L CD1 1 +ATOM 31 C CD2 . LEU A 1 4 ? 30.296 -19.304 10.821 1.00 15.68 ? ? ? ? ? ? 4 LEU L CD2 1 +ATOM 32 N N . THR A 1 5 ? 32.843 -18.212 15.126 1.00 27.56 ? ? ? ? ? ? 5 THR L N 1 +ATOM 33 C CA . THR A 1 5 ? 33.864 -17.879 16.120 1.00 24.76 ? ? ? ? ? ? 5 THR L CA 1 +ATOM 34 C C . THR A 1 5 ? 35.219 -18.433 15.699 1.00 21.76 ? ? ? ? ? ? 5 THR L C 1 +ATOM 35 O O . THR A 1 5 ? 35.357 -19.624 15.450 1.00 23.44 ? ? ? ? ? ? 5 THR L O 1 +ATOM 36 C CB . THR A 1 5 ? 33.479 -18.451 17.509 1.00 25.21 ? ? ? ? ? ? 5 THR L CB 1 +ATOM 37 O OG1 . THR A 1 5 ? 32.245 -17.863 17.939 1.00 28.00 ? ? ? ? ? ? 5 THR L OG1 1 +ATOM 38 C CG2 . THR A 1 5 ? 34.548 -18.147 18.531 1.00 24.03 ? ? ? ? ? ? 5 THR L CG2 1 +ATOM 39 N N . GLN A 1 6 ? 36.219 -17.564 15.618 1.00 21.82 ? ? ? ? ? ? 6 GLN L N 1 +ATOM 40 C CA . GLN A 1 6 ? 37.557 -17.983 15.205 1.00 21.68 ? ? ? ? ? ? 6 GLN L CA 1 +ATOM 41 C C . GLN A 1 6 ? 38.547 -18.022 16.362 1.00 24.05 ? ? ? ? ? ? 6 GLN L C 1 +ATOM 42 O O . GLN A 1 6 ? 38.608 -17.104 17.173 1.00 25.91 ? ? ? ? ? ? 6 GLN L O 1 +ATOM 43 C CB . GLN A 1 6 ? 38.084 -17.051 14.103 1.00 19.73 ? ? ? ? ? ? 6 GLN L CB 1 +ATOM 44 C CG . GLN A 1 6 ? 37.633 -17.447 12.686 1.00 19.70 ? ? ? ? ? ? 6 GLN L CG 1 +ATOM 45 C CD . GLN A 1 6 ? 38.049 -16.452 11.611 1.00 18.58 ? ? ? ? ? ? 6 GLN L CD 1 +ATOM 46 O OE1 . GLN A 1 6 ? 37.322 -15.505 11.317 1.00 22.23 ? ? ? ? ? ? 6 GLN L OE1 1 +ATOM 47 N NE2 . GLN A 1 6 ? 39.218 -16.669 11.014 1.00 17.75 ? ? ? ? ? ? 6 GLN L NE2 1 +ATOM 48 N N . SER A 1 7 ? 39.319 -19.099 16.429 1.00 28.93 ? ? ? ? ? ? 7 SER L N 1 +ATOM 49 C CA . SER A 1 7 ? 40.319 -19.288 17.473 1.00 33.39 ? ? ? ? ? ? 7 SER L CA 1 +ATOM 50 C C . SER A 1 7 ? 41.622 -19.719 16.811 1.00 34.55 ? ? ? ? ? ? 7 SER L C 1 +ATOM 51 O O . SER A 1 7 ? 41.625 -20.580 15.941 1.00 38.60 ? ? ? ? ? ? 7 SER L O 1 +ATOM 52 C CB . SER A 1 7 ? 39.845 -20.369 18.458 1.00 37.79 ? ? ? ? ? ? 7 SER L CB 1 +ATOM 53 O OG . SER A 1 7 ? 40.767 -20.566 19.518 1.00 42.02 ? ? ? ? ? ? 7 SER L OG 1 +ATOM 54 N N . PRO A 1 8 ? 42.750 -19.111 17.194 1.00 33.64 ? ? ? ? ? ? 8 PRO L N 1 +ATOM 55 C CA . PRO A 1 8 ? 42.909 -18.050 18.192 1.00 34.27 ? ? ? ? ? ? 8 PRO L CA 1 +ATOM 56 C C . PRO A 1 8 ? 42.704 -16.662 17.583 1.00 33.27 ? ? ? ? ? ? 8 PRO L C 1 +ATOM 57 O O . PRO A 1 8 ? 42.658 -16.523 16.359 1.00 33.14 ? ? ? ? ? ? 8 PRO L O 1 +ATOM 58 C CB . PRO A 1 8 ? 44.342 -18.240 18.670 1.00 36.67 ? ? ? ? ? ? 8 PRO L CB 1 +ATOM 59 C CG . PRO A 1 8 ? 45.057 -18.756 17.444 1.00 34.72 ? ? ? ? ? ? 8 PRO L CG 1 +ATOM 60 C CD . PRO A 1 8 ? 44.044 -19.513 16.616 1.00 33.33 ? ? ? ? ? ? 8 PRO L CD 1 +ATOM 61 N N . ALA A 1 9 ? 42.586 -15.644 18.434 1.00 29.41 ? ? ? ? ? ? 9 ALA L N 1 +ATOM 62 C CA . ALA A 1 9 ? 42.408 -14.275 17.959 1.00 32.30 ? ? ? ? ? ? 9 ALA L CA 1 +ATOM 63 C C . ALA A 1 9 ? 43.711 -13.771 17.333 1.00 32.00 ? ? ? ? ? ? 9 ALA L C 1 +ATOM 64 O O . ALA A 1 9 ? 43.713 -13.238 16.224 1.00 31.23 ? ? ? ? ? ? 9 ALA L O 1 +ATOM 65 C CB . ALA A 1 9 ? 41.990 -13.370 19.097 1.00 32.96 ? ? ? ? ? ? 9 ALA L CB 1 +ATOM 66 N N . ILE A 1 10 ? 44.818 -13.930 18.046 1.00 31.40 ? ? ? ? ? ? 10 ILE L N 1 +ATOM 67 C CA . ILE A 1 10 ? 46.114 -13.522 17.521 1.00 32.76 ? ? ? ? ? ? 10 ILE L CA 1 +ATOM 68 C C . ILE A 1 10 ? 47.057 -14.692 17.752 1.00 33.22 ? ? ? ? ? ? 10 ILE L C 1 +ATOM 69 O O . ILE A 1 10 ? 46.830 -15.509 18.638 1.00 34.55 ? ? ? ? ? ? 10 ILE L O 1 +ATOM 70 C CB . ILE A 1 10 ? 46.692 -12.278 18.254 1.00 35.18 ? ? ? ? ? ? 10 ILE L CB 1 +ATOM 71 C CG1 . ILE A 1 10 ? 45.634 -11.177 18.362 1.00 38.02 ? ? ? ? ? ? 10 ILE L CG1 1 +ATOM 72 C CG2 . ILE A 1 10 ? 47.904 -11.742 17.490 1.00 33.09 ? ? ? ? ? ? 10 ILE L CG2 1 +ATOM 73 C CD1 . ILE A 1 10 ? 46.211 -9.786 18.651 1.00 35.97 ? ? ? ? ? ? 10 ILE L CD1 1 +ATOM 74 N N . MET A 1 11 ? 48.113 -14.784 16.958 1.00 34.67 ? ? ? ? ? ? 11 MET L N 1 +ATOM 75 C CA . MET A 1 11 ? 49.071 -15.864 17.127 1.00 36.69 ? ? ? ? ? ? 11 MET L CA 1 +ATOM 76 C C . MET A 1 11 ? 50.359 -15.585 16.372 1.00 36.78 ? ? ? ? ? ? 11 MET L C 1 +ATOM 77 O O . MET A 1 11 ? 50.377 -14.789 15.437 1.00 37.74 ? ? ? ? ? ? 11 MET L O 1 +ATOM 78 C CB . MET A 1 11 ? 48.457 -17.193 16.677 1.00 39.19 ? ? ? ? ? ? 11 MET L CB 1 +ATOM 79 C CG . MET A 1 11 ? 48.533 -17.473 15.190 1.00 41.14 ? ? ? ? ? ? 11 MET L CG 1 +ATOM 80 S SD . MET A 1 11 ? 48.310 -19.226 14.868 1.00 47.88 ? ? ? ? ? ? 11 MET L SD 1 +ATOM 81 C CE . MET A 1 11 ? 46.593 -19.283 14.626 1.00 37.73 ? ? ? ? ? ? 11 MET L CE 1 +ATOM 82 N N . SER A 1 12 ? 51.439 -16.238 16.789 1.00 38.17 ? ? ? ? ? ? 12 SER L N 1 +ATOM 83 C CA . SER A 1 12 ? 52.740 -16.048 16.161 1.00 37.64 ? ? ? ? ? ? 12 SER L CA 1 +ATOM 84 C C . SER A 1 12 ? 53.371 -17.366 15.757 1.00 37.27 ? ? ? ? ? ? 12 SER L C 1 +ATOM 85 O O . SER A 1 12 ? 53.322 -18.345 16.497 1.00 40.14 ? ? ? ? ? ? 12 SER L O 1 +ATOM 86 C CB . SER A 1 12 ? 53.666 -15.312 17.114 1.00 37.50 ? ? ? ? ? ? 12 SER L CB 1 +ATOM 87 O OG . SER A 1 12 ? 53.037 -14.138 17.590 1.00 45.55 ? ? ? ? ? ? 12 SER L OG 1 +ATOM 88 N N . ALA A 1 13 ? 53.969 -17.388 14.577 1.00 37.60 ? ? ? ? ? ? 13 ALA L N 1 +ATOM 89 C CA . ALA A 1 13 ? 54.601 -18.597 14.086 1.00 37.92 ? ? ? ? ? ? 13 ALA L CA 1 +ATOM 90 C C . ALA A 1 13 ? 55.987 -18.293 13.551 1.00 39.43 ? ? ? ? ? ? 13 ALA L C 1 +ATOM 91 O O . ALA A 1 13 ? 56.139 -17.459 12.663 1.00 42.13 ? ? ? ? ? ? 13 ALA L O 1 +ATOM 92 C CB . ALA A 1 13 ? 53.750 -19.209 12.994 1.00 37.38 ? ? ? ? ? ? 13 ALA L CB 1 +ATOM 93 N N . SER A 1 14 ? 57.001 -18.959 14.099 1.00 39.38 ? ? ? ? ? ? 14 SER L N 1 +ATOM 94 C CA . SER A 1 14 ? 58.369 -18.760 13.631 1.00 38.45 ? ? ? ? ? ? 14 SER L CA 1 +ATOM 95 C C . SER A 1 14 ? 58.387 -19.303 12.209 1.00 37.57 ? ? ? ? ? ? 14 SER L C 1 +ATOM 96 O O . SER A 1 14 ? 57.562 -20.150 11.862 1.00 35.86 ? ? ? ? ? ? 14 SER L O 1 +ATOM 97 C CB . SER A 1 14 ? 59.354 -19.543 14.501 1.00 36.45 ? ? ? ? ? ? 14 SER L CB 1 +ATOM 98 O OG . SER A 1 14 ? 59.034 -19.423 15.875 1.00 39.12 ? ? ? ? ? ? 14 SER L OG 1 +ATOM 99 N N . LEU A 1 15 ? 59.311 -18.825 11.383 1.00 36.40 ? ? ? ? ? ? 15 LEU L N 1 +ATOM 100 C CA . LEU A 1 15 ? 59.376 -19.296 10.002 1.00 39.70 ? ? ? ? ? ? 15 LEU L CA 1 +ATOM 101 C C . LEU A 1 15 ? 59.546 -20.822 9.882 1.00 40.62 ? ? ? ? ? ? 15 LEU L C 1 +ATOM 102 O O . LEU A 1 15 ? 60.297 -21.433 10.642 1.00 41.68 ? ? ? ? ? ? 15 LEU L O 1 +ATOM 103 C CB . LEU A 1 15 ? 60.509 -18.580 9.263 1.00 39.31 ? ? ? ? ? ? 15 LEU L CB 1 +ATOM 104 C CG . LEU A 1 15 ? 60.182 -17.143 8.843 1.00 40.46 ? ? ? ? ? ? 15 LEU L CG 1 +ATOM 105 C CD1 . LEU A 1 15 ? 61.426 -16.481 8.281 1.00 40.50 ? ? ? ? ? ? 15 LEU L CD1 1 +ATOM 106 C CD2 . LEU A 1 15 ? 59.064 -17.139 7.809 1.00 39.55 ? ? ? ? ? ? 15 LEU L CD2 1 +ATOM 107 N N . GLY A 1 16 ? 58.831 -21.426 8.932 1.00 39.98 ? ? ? ? ? ? 16 GLY L N 1 +ATOM 108 C CA . GLY A 1 16 ? 58.920 -22.862 8.721 1.00 38.24 ? ? ? ? ? ? 16 GLY L CA 1 +ATOM 109 C C . GLY A 1 16 ? 58.031 -23.713 9.612 1.00 38.09 ? ? ? ? ? ? 16 GLY L C 1 +ATOM 110 O O . GLY A 1 16 ? 57.889 -24.914 9.391 1.00 37.14 ? ? ? ? ? ? 16 GLY L O 1 +ATOM 111 N N . GLU A 1 17 ? 57.437 -23.089 10.622 1.00 40.18 ? ? ? ? ? ? 17 GLU L N 1 +ATOM 112 C CA . GLU A 1 17 ? 56.551 -23.763 11.572 1.00 42.45 ? ? ? ? ? ? 17 GLU L CA 1 +ATOM 113 C C . GLU A 1 17 ? 55.195 -24.077 10.942 1.00 41.60 ? ? ? ? ? ? 17 GLU L C 1 +ATOM 114 O O . GLU A 1 17 ? 54.773 -23.384 10.022 1.00 42.04 ? ? ? ? ? ? 17 GLU L O 1 +ATOM 115 C CB . GLU A 1 17 ? 56.318 -22.854 12.773 1.00 45.95 ? ? ? ? ? ? 17 GLU L CB 1 +ATOM 116 C CG . GLU A 1 17 ? 57.029 -23.243 14.044 1.00 49.40 ? ? ? ? ? ? 17 GLU L CG 1 +ATOM 117 C CD . GLU A 1 17 ? 56.406 -22.562 15.243 1.00 54.09 ? ? ? ? ? ? 17 GLU L CD 1 +ATOM 118 O OE1 . GLU A 1 17 ? 55.212 -22.817 15.504 1.00 57.35 ? ? ? ? ? ? 17 GLU L OE1 1 +ATOM 119 O OE2 . GLU A 1 17 ? 57.098 -21.768 15.916 1.00 58.91 ? ? ? ? ? ? 17 GLU L OE2 1 +ATOM 120 N N . ARG A 1 18 ? 54.515 -25.109 11.444 1.00 40.96 ? ? ? ? ? ? 18 ARG L N 1 +ATOM 121 C CA . ARG A 1 18 ? 53.189 -25.486 10.932 1.00 40.09 ? ? ? ? ? ? 18 ARG L CA 1 +ATOM 122 C C . ARG A 1 18 ? 52.112 -24.714 11.695 1.00 36.86 ? ? ? ? ? ? 18 ARG L C 1 +ATOM 123 O O . ARG A 1 18 ? 52.146 -24.652 12.924 1.00 36.69 ? ? ? ? ? ? 18 ARG L O 1 +ATOM 124 C CB . ARG A 1 18 ? 52.946 -26.993 11.095 1.00 42.08 ? ? ? ? ? ? 18 ARG L CB 1 +ATOM 125 C CG . ARG A 1 18 ? 51.509 -27.430 10.789 1.00 42.83 ? ? ? ? ? ? 18 ARG L CG 1 +ATOM 126 C CD . ARG A 1 18 ? 50.979 -28.410 11.833 1.00 44.37 ? ? ? ? ? ? 18 ARG L CD 1 +ATOM 127 N NE . ARG A 1 18 ? 49.698 -29.004 11.453 1.00 44.60 ? ? ? ? ? ? 18 ARG L NE 1 +ATOM 128 C CZ . ARG A 1 18 ? 49.470 -29.613 10.291 1.00 45.83 ? ? ? ? ? ? 18 ARG L CZ 1 +ATOM 129 N NH1 . ARG A 1 18 ? 50.435 -29.712 9.385 1.00 43.93 ? ? ? ? ? ? 18 ARG L NH1 1 +ATOM 130 N NH2 . ARG A 1 18 ? 48.277 -30.132 10.036 1.00 44.07 ? ? ? ? ? ? 18 ARG L NH2 1 +ATOM 131 N N . VAL A 1 19 ? 51.152 -24.145 10.972 1.00 32.93 ? ? ? ? ? ? 19 VAL L N 1 +ATOM 132 C CA . VAL A 1 19 ? 50.094 -23.357 11.606 1.00 32.89 ? ? ? ? ? ? 19 VAL L CA 1 +ATOM 133 C C . VAL A 1 19 ? 48.675 -23.862 11.366 1.00 32.58 ? ? ? ? ? ? 19 VAL L C 1 +ATOM 134 O O . VAL A 1 19 ? 48.343 -24.328 10.276 1.00 32.53 ? ? ? ? ? ? 19 VAL L O 1 +ATOM 135 C CB . VAL A 1 19 ? 50.153 -21.881 11.134 1.00 32.69 ? ? ? ? ? ? 19 VAL L CB 1 +ATOM 136 C CG1 . VAL A 1 19 ? 49.029 -21.079 11.771 1.00 33.61 ? ? ? ? ? ? 19 VAL L CG1 1 +ATOM 137 C CG2 . VAL A 1 19 ? 51.502 -21.270 11.482 1.00 30.69 ? ? ? ? ? ? 19 VAL L CG2 1 +ATOM 138 N N . THR A 1 20 ? 47.832 -23.750 12.388 1.00 33.40 ? ? ? ? ? ? 20 THR L N 1 +ATOM 139 C CA . THR A 1 20 ? 46.438 -24.174 12.265 1.00 32.85 ? ? ? ? ? ? 20 THR L CA 1 +ATOM 140 C C . THR A 1 20 ? 45.500 -23.256 13.045 1.00 29.06 ? ? ? ? ? ? 20 THR L C 1 +ATOM 141 O O . THR A 1 20 ? 45.761 -22.921 14.194 1.00 30.08 ? ? ? ? ? ? 20 THR L O 1 +ATOM 142 C CB . THR A 1 20 ? 46.232 -25.621 12.768 1.00 34.65 ? ? ? ? ? ? 20 THR L CB 1 +ATOM 143 O OG1 . THR A 1 20 ? 47.141 -26.502 12.095 1.00 41.83 ? ? ? ? ? ? 20 THR L OG1 1 +ATOM 144 C CG2 . THR A 1 20 ? 44.811 -26.080 12.492 1.00 35.29 ? ? ? ? ? ? 20 THR L CG2 1 +ATOM 145 N N . MET A 1 21 ? 44.411 -22.848 12.405 1.00 26.95 ? ? ? ? ? ? 21 MET L N 1 +ATOM 146 C CA . MET A 1 21 ? 43.425 -21.992 13.045 1.00 24.63 ? ? ? ? ? ? 21 MET L CA 1 +ATOM 147 C C . MET A 1 21 ? 42.036 -22.556 12.751 1.00 24.26 ? ? ? ? ? ? 21 MET L C 1 +ATOM 148 O O . MET A 1 21 ? 41.818 -23.187 11.714 1.00 27.24 ? ? ? ? ? ? 21 MET L O 1 +ATOM 149 C CB . MET A 1 21 ? 43.548 -20.563 12.525 1.00 27.01 ? ? ? ? ? ? 21 MET L CB 1 +ATOM 150 C CG . MET A 1 21 ? 43.450 -20.439 11.006 1.00 25.55 ? ? ? ? ? ? 21 MET L CG 1 +ATOM 151 S SD . MET A 1 21 ? 43.944 -18.798 10.446 1.00 24.82 ? ? ? ? ? ? 21 MET L SD 1 +ATOM 152 C CE . MET A 1 21 ? 45.739 -18.934 10.546 1.00 15.61 ? ? ? ? ? ? 21 MET L CE 1 +ATOM 153 N N . THR A 1 22 ? 41.097 -22.318 13.659 1.00 24.80 ? ? ? ? ? ? 22 THR L N 1 +ATOM 154 C CA . THR A 1 22 ? 39.744 -22.841 13.527 1.00 22.28 ? ? ? ? ? ? 22 THR L CA 1 +ATOM 155 C C . THR A 1 22 ? 38.648 -21.798 13.390 1.00 23.13 ? ? ? ? ? ? 22 THR L C 1 +ATOM 156 O O . THR A 1 22 ? 38.837 -20.623 13.705 1.00 25.51 ? ? ? ? ? ? 22 THR L O 1 +ATOM 157 C CB . THR A 1 22 ? 39.387 -23.727 14.737 1.00 22.89 ? ? ? ? ? ? 22 THR L CB 1 +ATOM 158 O OG1 . THR A 1 22 ? 39.199 -22.898 15.888 1.00 26.87 ? ? ? ? ? ? 22 THR L OG1 1 +ATOM 159 C CG2 . THR A 1 22 ? 40.506 -24.729 15.022 1.00 21.61 ? ? ? ? ? ? 22 THR L CG2 1 +ATOM 160 N N . CYS A 1 23 ? 37.494 -22.266 12.920 1.00 24.26 ? ? ? ? ? ? 23 CYS L N 1 +ATOM 161 C CA . CYS A 1 23 ? 36.296 -21.449 12.723 1.00 24.14 ? ? ? ? ? ? 23 CYS L CA 1 +ATOM 162 C C . CYS A 1 23 ? 35.104 -22.340 13.061 1.00 21.96 ? ? ? ? ? ? 23 CYS L C 1 +ATOM 163 O O . CYS A 1 23 ? 34.892 -23.372 12.431 1.00 24.18 ? ? ? ? ? ? 23 CYS L O 1 +ATOM 164 C CB . CYS A 1 23 ? 36.193 -20.984 11.254 1.00 23.50 ? ? ? ? ? ? 23 CYS L CB 1 +ATOM 165 S SG . CYS A 1 23 ? 34.614 -20.195 10.752 1.00 27.38 ? ? ? ? ? ? 23 CYS L SG 1 +ATOM 166 N N . THR A 1 24 ? 34.335 -21.963 14.069 1.00 25.61 ? ? ? ? ? ? 24 THR L N 1 +ATOM 167 C CA . THR A 1 24 ? 33.173 -22.755 14.426 1.00 25.69 ? ? ? ? ? ? 24 THR L CA 1 +ATOM 168 C C . THR A 1 24 ? 31.900 -21.904 14.318 1.00 25.14 ? ? ? ? ? ? 24 THR L C 1 +ATOM 169 O O . THR A 1 24 ? 31.866 -20.742 14.733 1.00 24.60 ? ? ? ? ? ? 24 THR L O 1 +ATOM 170 C CB . THR A 1 24 ? 33.339 -23.378 15.846 1.00 27.82 ? ? ? ? ? ? 24 THR L CB 1 +ATOM 171 O OG1 . THR A 1 24 ? 33.474 -22.341 16.826 1.00 37.19 ? ? ? ? ? ? 24 THR L OG1 1 +ATOM 172 C CG2 . THR A 1 24 ? 34.589 -24.251 15.896 1.00 21.72 ? ? ? ? ? ? 24 THR L CG2 1 +ATOM 173 N N . ALA A 1 25 ? 30.867 -22.501 13.729 1.00 26.38 ? ? ? ? ? ? 25 ALA L N 1 +ATOM 174 C CA . ALA A 1 25 ? 29.571 -21.865 13.502 1.00 24.69 ? ? ? ? ? ? 25 ALA L CA 1 +ATOM 175 C C . ALA A 1 25 ? 28.527 -22.229 14.559 1.00 24.34 ? ? ? ? ? ? 25 ALA L C 1 +ATOM 176 O O . ALA A 1 25 ? 28.537 -23.332 15.097 1.00 25.17 ? ? ? ? ? ? 25 ALA L O 1 +ATOM 177 C CB . ALA A 1 25 ? 29.057 -22.262 12.115 1.00 22.93 ? ? ? ? ? ? 25 ALA L CB 1 +ATOM 178 N N . SER A 1 26 ? 27.615 -21.305 14.842 1.00 27.21 ? ? ? ? ? ? 26 SER L N 1 +ATOM 179 C CA . SER A 1 26 ? 26.564 -21.552 15.826 1.00 29.22 ? ? ? ? ? ? 26 SER L CA 1 +ATOM 180 C C . SER A 1 26 ? 25.640 -22.700 15.402 1.00 30.22 ? ? ? ? ? ? 26 SER L C 1 +ATOM 181 O O . SER A 1 26 ? 25.161 -23.457 16.247 1.00 32.47 ? ? ? ? ? ? 26 SER L O 1 +ATOM 182 C CB . SER A 1 26 ? 25.750 -20.278 16.079 1.00 24.44 ? ? ? ? ? ? 26 SER L CB 1 +ATOM 183 O OG . SER A 1 26 ? 25.337 -19.678 14.871 1.00 31.29 ? ? ? ? ? ? 26 SER L OG 1 +ATOM 184 N N . SER A 1 27 ? 25.372 -22.809 14.102 1.00 32.27 ? ? ? ? ? ? 27 SER L N 1 +ATOM 185 C CA . SER A 1 27 ? 24.550 -23.893 13.548 1.00 30.98 ? ? ? ? ? ? 27 SER L CA 1 +ATOM 186 C C . SER A 1 27 ? 25.346 -24.466 12.382 1.00 29.87 ? ? ? ? ? ? 27 SER L C 1 +ATOM 187 O O . SER A 1 27 ? 26.323 -23.870 11.937 1.00 32.49 ? ? ? ? ? ? 27 SER L O 1 +ATOM 188 C CB . SER A 1 27 ? 23.195 -23.402 13.022 1.00 30.66 ? ? ? ? ? ? 27 SER L CB 1 +ATOM 189 O OG . SER A 1 27 ? 22.709 -22.285 13.736 1.00 38.74 ? ? ? ? ? ? 27 SER L OG 1 +ATOM 190 N N . SER A 1 28 A 24.936 -25.618 11.880 1.00 27.03 ? ? ? ? ? ? 27 SER L N 1 +ATOM 191 C CA . SER A 1 28 A 25.662 -26.218 10.785 1.00 27.39 ? ? ? ? ? ? 27 SER L CA 1 +ATOM 192 C C . SER A 1 28 A 25.431 -25.468 9.478 1.00 28.44 ? ? ? ? ? ? 27 SER L C 1 +ATOM 193 O O . SER A 1 28 A 24.365 -24.889 9.261 1.00 31.19 ? ? ? ? ? ? 27 SER L O 1 +ATOM 194 C CB . SER A 1 28 A 25.240 -27.675 10.623 1.00 27.68 ? ? ? ? ? ? 27 SER L CB 1 +ATOM 195 O OG . SER A 1 28 A 25.386 -28.100 9.277 1.00 34.17 ? ? ? ? ? ? 27 SER L OG 1 +ATOM 196 N N . VAL A 1 29 ? 26.448 -25.459 8.622 1.00 26.34 ? ? ? ? ? ? 28 VAL L N 1 +ATOM 197 C CA . VAL A 1 29 ? 26.349 -24.831 7.311 1.00 23.30 ? ? ? ? ? ? 28 VAL L CA 1 +ATOM 198 C C . VAL A 1 29 ? 26.950 -25.812 6.314 1.00 22.21 ? ? ? ? ? ? 28 VAL L C 1 +ATOM 199 O O . VAL A 1 29 ? 27.719 -26.687 6.701 1.00 23.61 ? ? ? ? ? ? 28 VAL L O 1 +ATOM 200 C CB . VAL A 1 29 ? 27.128 -23.485 7.229 1.00 22.50 ? ? ? ? ? ? 28 VAL L CB 1 +ATOM 201 C CG1 . VAL A 1 29 ? 26.392 -22.415 8.001 1.00 25.76 ? ? ? ? ? ? 28 VAL L CG1 1 +ATOM 202 C CG2 . VAL A 1 29 ? 28.524 -23.643 7.775 1.00 23.90 ? ? ? ? ? ? 28 VAL L CG2 1 +ATOM 203 N N . SER A 1 30 ? 26.589 -25.684 5.041 1.00 20.70 ? ? ? ? ? ? 29 SER L N 1 +ATOM 204 C CA . SER A 1 30 ? 27.136 -26.550 4.009 1.00 19.14 ? ? ? ? ? ? 29 SER L CA 1 +ATOM 205 C C . SER A 1 30 ? 28.633 -26.255 3.858 1.00 22.98 ? ? ? ? ? ? 29 SER L C 1 +ATOM 206 O O . SER A 1 30 ? 29.057 -25.093 3.885 1.00 23.41 ? ? ? ? ? ? 29 SER L O 1 +ATOM 207 C CB . SER A 1 30 ? 26.434 -26.292 2.676 1.00 19.42 ? ? ? ? ? ? 29 SER L CB 1 +ATOM 208 O OG . SER A 1 30 ? 27.079 -26.982 1.618 1.00 20.02 ? ? ? ? ? ? 29 SER L OG 1 +ATOM 209 N N . SER A 1 31 ? 29.433 -27.304 3.698 1.00 21.07 ? ? ? ? ? ? 30 SER L N 1 +ATOM 210 C CA . SER A 1 31 ? 30.870 -27.138 3.533 1.00 20.00 ? ? ? ? ? ? 30 SER L CA 1 +ATOM 211 C C . SER A 1 31 ? 31.160 -26.385 2.234 1.00 19.93 ? ? ? ? ? ? 30 SER L C 1 +ATOM 212 O O . SER A 1 31 ? 32.224 -25.807 2.070 1.00 20.89 ? ? ? ? ? ? 30 SER L O 1 +ATOM 213 C CB . SER A 1 31 ? 31.554 -28.510 3.502 1.00 19.64 ? ? ? ? ? ? 30 SER L CB 1 +ATOM 214 O OG . SER A 1 31 ? 31.575 -29.060 2.191 1.00 23.77 ? ? ? ? ? ? 30 SER L OG 1 +ATOM 215 N N . SER A 1 32 ? 30.202 -26.396 1.314 1.00 20.90 ? ? ? ? ? ? 31 SER L N 1 +ATOM 216 C CA . SER A 1 32 ? 30.369 -25.727 0.030 1.00 21.08 ? ? ? ? ? ? 31 SER L CA 1 +ATOM 217 C C . SER A 1 32 ? 30.196 -24.216 0.135 1.00 21.53 ? ? ? ? ? ? 31 SER L C 1 +ATOM 218 O O . SER A 1 32 ? 30.690 -23.466 -0.699 1.00 23.18 ? ? ? ? ? ? 31 SER L O 1 +ATOM 219 C CB . SER A 1 32 ? 29.364 -26.284 -0.979 1.00 20.70 ? ? ? ? ? ? 31 SER L CB 1 +ATOM 220 O OG . SER A 1 32 ? 28.054 -25.793 -0.725 1.00 22.37 ? ? ? ? ? ? 31 SER L OG 1 +ATOM 221 N N . ASN A 1 33 ? 29.502 -23.776 1.175 1.00 23.91 ? ? ? ? ? ? 32 ASN L N 1 +ATOM 222 C CA . ASN A 1 33 ? 29.225 -22.364 1.376 1.00 19.76 ? ? ? ? ? ? 32 ASN L CA 1 +ATOM 223 C C . ASN A 1 33 ? 30.113 -21.737 2.435 1.00 19.23 ? ? ? ? ? ? 32 ASN L C 1 +ATOM 224 O O . ASN A 1 33 ? 29.827 -20.645 2.916 1.00 21.58 ? ? ? ? ? ? 32 ASN L O 1 +ATOM 225 C CB . ASN A 1 33 ? 27.750 -22.185 1.771 1.00 17.36 ? ? ? ? ? ? 32 ASN L CB 1 +ATOM 226 C CG . ASN A 1 33 ? 26.798 -22.450 0.626 1.00 18.60 ? ? ? ? ? ? 32 ASN L CG 1 +ATOM 227 O OD1 . ASN A 1 33 ? 25.711 -23.004 0.817 1.00 24.10 ? ? ? ? ? ? 32 ASN L OD1 1 +ATOM 228 N ND2 . ASN A 1 33 ? 27.192 -22.049 -0.568 1.00 16.90 ? ? ? ? ? ? 32 ASN L ND2 1 +ATOM 229 N N . LEU A 1 34 ? 31.178 -22.423 2.825 1.00 20.04 ? ? ? ? ? ? 33 LEU L N 1 +ATOM 230 C CA . LEU A 1 34 ? 32.076 -21.859 3.820 1.00 22.07 ? ? ? ? ? ? 33 LEU L CA 1 +ATOM 231 C C . LEU A 1 34 ? 33.449 -21.551 3.201 1.00 21.29 ? ? ? ? ? ? 33 LEU L C 1 +ATOM 232 O O . LEU A 1 34 ? 34.129 -22.447 2.697 1.00 19.83 ? ? ? ? ? ? 33 LEU L O 1 +ATOM 233 C CB . LEU A 1 34 ? 32.219 -22.798 5.032 1.00 20.41 ? ? ? ? ? ? 33 LEU L CB 1 +ATOM 234 C CG . LEU A 1 34 ? 32.883 -22.031 6.186 1.00 25.24 ? ? ? ? ? ? 33 LEU L CG 1 +ATOM 235 C CD1 . LEU A 1 34 ? 31.968 -21.968 7.366 1.00 25.40 ? ? ? ? ? ? 33 LEU L CD1 1 +ATOM 236 C CD2 . LEU A 1 34 ? 34.212 -22.660 6.544 1.00 23.78 ? ? ? ? ? ? 33 LEU L CD2 1 +ATOM 237 N N . HIS A 1 35 ? 33.847 -20.278 3.245 1.00 18.39 ? ? ? ? ? ? 34 HIS L N 1 +ATOM 238 C CA . HIS A 1 35 ? 35.112 -19.839 2.662 1.00 20.02 ? ? ? ? ? ? 34 HIS L CA 1 +ATOM 239 C C . HIS A 1 35 ? 36.001 -19.048 3.626 1.00 19.72 ? ? ? ? ? ? 34 HIS L C 1 +ATOM 240 O O . HIS A 1 35 ? 35.539 -18.583 4.662 1.00 23.21 ? ? ? ? ? ? 34 HIS L O 1 +ATOM 241 C CB . HIS A 1 35 ? 34.831 -18.975 1.415 1.00 22.25 ? ? ? ? ? ? 34 HIS L CB 1 +ATOM 242 C CG . HIS A 1 35 ? 33.609 -19.385 0.649 1.00 20.08 ? ? ? ? ? ? 34 HIS L CG 1 +ATOM 243 N ND1 . HIS A 1 35 ? 33.648 -20.322 -0.362 1.00 15.74 ? ? ? ? ? ? 34 HIS L ND1 1 +ATOM 244 C CD2 . HIS A 1 35 ? 32.313 -18.997 0.755 1.00 19.17 ? ? ? ? ? ? 34 HIS L CD2 1 +ATOM 245 C CE1 . HIS A 1 35 ? 32.427 -20.496 -0.842 1.00 17.15 ? ? ? ? ? ? 34 HIS L CE1 1 +ATOM 246 N NE2 . HIS A 1 35 ? 31.600 -19.704 -0.183 1.00 16.26 ? ? ? ? ? ? 34 HIS L NE2 1 +ATOM 247 N N . TRP A 1 36 ? 37.278 -18.898 3.273 1.00 21.19 ? ? ? ? ? ? 35 TRP L N 1 +ATOM 248 C CA . TRP A 1 36 ? 38.236 -18.146 4.084 1.00 21.45 ? ? ? ? ? ? 35 TRP L CA 1 +ATOM 249 C C . TRP A 1 36 ? 38.841 -17.008 3.260 1.00 24.16 ? ? ? ? ? ? 35 TRP L C 1 +ATOM 250 O O . TRP A 1 36 ? 39.172 -17.191 2.089 1.00 24.62 ? ? ? ? ? ? 35 TRP L O 1 +ATOM 251 C CB . TRP A 1 36 ? 39.384 -19.039 4.555 1.00 20.85 ? ? ? ? ? ? 35 TRP L CB 1 +ATOM 252 C CG . TRP A 1 36 ? 39.021 -20.080 5.564 1.00 17.39 ? ? ? ? ? ? 35 TRP L CG 1 +ATOM 253 C CD1 . TRP A 1 36 ? 38.403 -21.270 5.321 1.00 15.90 ? ? ? ? ? ? 35 TRP L CD1 1 +ATOM 254 C CD2 . TRP A 1 36 ? 39.321 -20.059 6.967 1.00 14.86 ? ? ? ? ? ? 35 TRP L CD2 1 +ATOM 255 N NE1 . TRP A 1 36 ? 38.301 -21.992 6.481 1.00 18.47 ? ? ? ? ? ? 35 TRP L NE1 1 +ATOM 256 C CE2 . TRP A 1 36 ? 38.857 -21.274 7.509 1.00 17.36 ? ? ? ? ? ? 35 TRP L CE2 1 +ATOM 257 C CE3 . TRP A 1 36 ? 39.939 -19.132 7.817 1.00 13.23 ? ? ? ? ? ? 35 TRP L CE3 1 +ATOM 258 C CZ2 . TRP A 1 36 ? 38.991 -21.591 8.873 1.00 18.88 ? ? ? ? ? ? 35 TRP L CZ2 1 +ATOM 259 C CZ3 . TRP A 1 36 ? 40.074 -19.450 9.172 1.00 16.13 ? ? ? ? ? ? 35 TRP L CZ3 1 +ATOM 260 C CH2 . TRP A 1 36 ? 39.601 -20.670 9.683 1.00 12.91 ? ? ? ? ? ? 35 TRP L CH2 1 +ATOM 261 N N . TYR A 1 37 ? 38.998 -15.839 3.875 1.00 25.04 ? ? ? ? ? ? 36 TYR L N 1 +ATOM 262 C CA . TYR A 1 37 ? 39.588 -14.692 3.187 1.00 22.35 ? ? ? ? ? ? 36 TYR L CA 1 +ATOM 263 C C . TYR A 1 37 ? 40.886 -14.266 3.858 1.00 20.28 ? ? ? ? ? ? 36 TYR L C 1 +ATOM 264 O O . TYR A 1 37 ? 41.066 -14.444 5.061 1.00 21.81 ? ? ? ? ? ? 36 TYR L O 1 +ATOM 265 C CB . TYR A 1 37 ? 38.620 -13.499 3.184 1.00 22.01 ? ? ? ? ? ? 36 TYR L CB 1 +ATOM 266 C CG . TYR A 1 37 ? 37.455 -13.668 2.246 1.00 19.72 ? ? ? ? ? ? 36 TYR L CG 1 +ATOM 267 C CD1 . TYR A 1 37 ? 36.325 -14.363 2.648 1.00 18.84 ? ? ? ? ? ? 36 TYR L CD1 1 +ATOM 268 C CD2 . TYR A 1 37 ? 37.498 -13.167 0.946 1.00 18.27 ? ? ? ? ? ? 36 TYR L CD2 1 +ATOM 269 C CE1 . TYR A 1 37 ? 35.266 -14.564 1.788 1.00 22.54 ? ? ? ? ? ? 36 TYR L CE1 1 +ATOM 270 C CE2 . TYR A 1 37 ? 36.441 -13.363 0.073 1.00 17.83 ? ? ? ? ? ? 36 TYR L CE2 1 +ATOM 271 C CZ . TYR A 1 37 ? 35.326 -14.066 0.503 1.00 21.75 ? ? ? ? ? ? 36 TYR L CZ 1 +ATOM 272 O OH . TYR A 1 37 ? 34.262 -14.300 -0.341 1.00 22.17 ? ? ? ? ? ? 36 TYR L OH 1 +ATOM 273 N N . GLN A 1 38 ? 41.796 -13.709 3.080 1.00 16.74 ? ? ? ? ? ? 37 GLN L N 1 +ATOM 274 C CA . GLN A 1 38 ? 43.040 -13.239 3.647 1.00 17.05 ? ? ? ? ? ? 37 GLN L CA 1 +ATOM 275 C C . GLN A 1 38 ? 43.056 -11.729 3.459 1.00 17.49 ? ? ? ? ? ? 37 GLN L C 1 +ATOM 276 O O . GLN A 1 38 ? 42.694 -11.239 2.398 1.00 19.93 ? ? ? ? ? ? 37 GLN L O 1 +ATOM 277 C CB . GLN A 1 38 ? 44.226 -13.869 2.923 1.00 15.90 ? ? ? ? ? ? 37 GLN L CB 1 +ATOM 278 C CG . GLN A 1 38 ? 45.576 -13.503 3.531 1.00 18.56 ? ? ? ? ? ? 37 GLN L CG 1 +ATOM 279 C CD . GLN A 1 38 ? 46.682 -13.423 2.502 1.00 15.29 ? ? ? ? ? ? 37 GLN L CD 1 +ATOM 280 O OE1 . GLN A 1 38 ? 46.698 -12.525 1.669 1.00 23.17 ? ? ? ? ? ? 37 GLN L OE1 1 +ATOM 281 N NE2 . GLN A 1 38 ? 47.613 -14.365 2.556 1.00 16.35 ? ? ? ? ? ? 37 GLN L NE2 1 +ATOM 282 N N . GLN A 1 39 ? 43.445 -10.985 4.485 1.00 17.18 ? ? ? ? ? ? 38 GLN L N 1 +ATOM 283 C CA . GLN A 1 39 ? 43.507 -9.539 4.340 1.00 19.08 ? ? ? ? ? ? 38 GLN L CA 1 +ATOM 284 C C . GLN A 1 39 ? 44.750 -8.967 4.984 1.00 20.70 ? ? ? ? ? ? 38 GLN L C 1 +ATOM 285 O O . GLN A 1 39 ? 45.134 -9.358 6.079 1.00 26.41 ? ? ? ? ? ? 38 GLN L O 1 +ATOM 286 C CB . GLN A 1 39 ? 42.279 -8.868 4.953 1.00 18.10 ? ? ? ? ? ? 38 GLN L CB 1 +ATOM 287 C CG . GLN A 1 39 ? 42.309 -7.336 4.856 1.00 17.43 ? ? ? ? ? ? 38 GLN L CG 1 +ATOM 288 C CD . GLN A 1 39 ? 40.975 -6.690 5.208 1.00 20.36 ? ? ? ? ? ? 38 GLN L CD 1 +ATOM 289 O OE1 . GLN A 1 39 ? 40.389 -6.976 6.248 1.00 26.59 ? ? ? ? ? ? 38 GLN L OE1 1 +ATOM 290 N NE2 . GLN A 1 39 ? 40.494 -5.809 4.341 1.00 22.74 ? ? ? ? ? ? 38 GLN L NE2 1 +ATOM 291 N N . LYS A 1 40 ? 45.388 -8.045 4.283 1.00 24.15 ? ? ? ? ? ? 39 LYS L N 1 +ATOM 292 C CA . LYS A 1 40 ? 46.579 -7.379 4.794 1.00 26.26 ? ? ? ? ? ? 39 LYS L CA 1 +ATOM 293 C C . LYS A 1 40 ? 46.185 -5.919 4.934 1.00 27.17 ? ? ? ? ? ? 39 LYS L C 1 +ATOM 294 O O . LYS A 1 40 ? 45.305 -5.439 4.218 1.00 26.58 ? ? ? ? ? ? 39 LYS L O 1 +ATOM 295 C CB . LYS A 1 40 ? 47.745 -7.520 3.813 1.00 24.90 ? ? ? ? ? ? 39 LYS L CB 1 +ATOM 296 C CG . LYS A 1 40 ? 48.003 -8.952 3.368 1.00 27.09 ? ? ? ? ? ? 39 LYS L CG 1 +ATOM 297 C CD . LYS A 1 40 ? 49.415 -9.138 2.832 1.00 24.78 ? ? ? ? ? ? 39 LYS L CD 1 +ATOM 298 C CE . LYS A 1 40 ? 49.973 -10.480 3.258 1.00 27.82 ? ? ? ? ? ? 39 LYS L CE 1 +ATOM 299 N NZ . LYS A 1 40 ? 50.937 -11.031 2.278 1.00 28.46 ? ? ? ? ? ? 39 LYS L NZ 1 +ATOM 300 N N . PRO A 1 41 ? 46.794 -5.203 5.887 1.00 28.96 ? ? ? ? ? ? 40 PRO L N 1 +ATOM 301 C CA . PRO A 1 41 ? 46.454 -3.789 6.071 1.00 30.42 ? ? ? ? ? ? 40 PRO L CA 1 +ATOM 302 C C . PRO A 1 41 ? 46.479 -2.938 4.794 1.00 31.55 ? ? ? ? ? ? 40 PRO L C 1 +ATOM 303 O O . PRO A 1 41 ? 47.438 -2.987 4.018 1.00 31.46 ? ? ? ? ? ? 40 PRO L O 1 +ATOM 304 C CB . PRO A 1 41 ? 47.470 -3.316 7.115 1.00 30.06 ? ? ? ? ? ? 40 PRO L CB 1 +ATOM 305 C CG . PRO A 1 41 ? 47.765 -4.554 7.913 1.00 29.07 ? ? ? ? ? ? 40 PRO L CG 1 +ATOM 306 C CD . PRO A 1 41 ? 47.779 -5.664 6.882 1.00 29.45 ? ? ? ? ? ? 40 PRO L CD 1 +ATOM 307 N N . GLY A 1 42 ? 45.401 -2.186 4.568 1.00 31.79 ? ? ? ? ? ? 41 GLY L N 1 +ATOM 308 C CA . GLY A 1 42 ? 45.337 -1.306 3.415 1.00 32.83 ? ? ? ? ? ? 41 GLY L CA 1 +ATOM 309 C C . GLY A 1 42 ? 44.758 -1.786 2.097 1.00 33.94 ? ? ? ? ? ? 41 GLY L C 1 +ATOM 310 O O . GLY A 1 42 ? 44.622 -0.990 1.166 1.00 36.27 ? ? ? ? ? ? 41 GLY L O 1 +ATOM 311 N N . SER A 1 43 ? 44.432 -3.069 1.988 1.00 33.80 ? ? ? ? ? ? 42 SER L N 1 +ATOM 312 C CA . SER A 1 43 ? 43.857 -3.588 0.749 1.00 31.21 ? ? ? ? ? ? 42 SER L CA 1 +ATOM 313 C C . SER A 1 43 ? 42.640 -4.443 1.059 1.00 28.98 ? ? ? ? ? ? 42 SER L C 1 +ATOM 314 O O . SER A 1 43 ? 42.401 -4.795 2.211 1.00 30.94 ? ? ? ? ? ? 42 SER L O 1 +ATOM 315 C CB . SER A 1 43 ? 44.892 -4.403 -0.030 1.00 30.19 ? ? ? ? ? ? 42 SER L CB 1 +ATOM 316 O OG . SER A 1 43 ? 45.403 -5.465 0.749 1.00 33.18 ? ? ? ? ? ? 42 SER L OG 1 +ATOM 317 N N . SER A 1 44 ? 41.876 -4.773 0.029 1.00 25.77 ? ? ? ? ? ? 43 SER L N 1 +ATOM 318 C CA . SER A 1 44 ? 40.667 -5.569 0.194 1.00 27.73 ? ? ? ? ? ? 43 SER L CA 1 +ATOM 319 C C . SER A 1 44 ? 40.902 -7.017 0.619 1.00 26.31 ? ? ? ? ? ? 43 SER L C 1 +ATOM 320 O O . SER A 1 44 ? 41.996 -7.561 0.445 1.00 23.64 ? ? ? ? ? ? 43 SER L O 1 +ATOM 321 C CB . SER A 1 44 ? 39.866 -5.582 -1.114 1.00 31.82 ? ? ? ? ? ? 43 SER L CB 1 +ATOM 322 O OG . SER A 1 44 ? 39.882 -4.318 -1.747 1.00 40.94 ? ? ? ? ? ? 43 SER L OG 1 +ATOM 323 N N . PRO A 1 45 ? 39.875 -7.651 1.216 1.00 26.56 ? ? ? ? ? ? 44 PRO L N 1 +ATOM 324 C CA . PRO A 1 45 ? 40.025 -9.046 1.628 1.00 25.34 ? ? ? ? ? ? 44 PRO L CA 1 +ATOM 325 C C . PRO A 1 45 ? 40.082 -9.835 0.329 1.00 26.67 ? ? ? ? ? ? 44 PRO L C 1 +ATOM 326 O O . PRO A 1 45 ? 39.403 -9.494 -0.641 1.00 24.03 ? ? ? ? ? ? 44 PRO L O 1 +ATOM 327 C CB . PRO A 1 45 ? 38.747 -9.339 2.426 1.00 25.01 ? ? ? ? ? ? 44 PRO L CB 1 +ATOM 328 C CG . PRO A 1 45 ? 38.145 -7.999 2.731 1.00 21.68 ? ? ? ? ? ? 44 PRO L CG 1 +ATOM 329 C CD . PRO A 1 45 ? 38.548 -7.122 1.581 1.00 27.21 ? ? ? ? ? ? 44 PRO L CD 1 +ATOM 330 N N . LYS A 1 46 ? 40.893 -10.881 0.304 1.00 28.26 ? ? ? ? ? ? 45 LYS L N 1 +ATOM 331 C CA . LYS A 1 46 ? 41.042 -11.684 -0.897 1.00 28.05 ? ? ? ? ? ? 45 LYS L CA 1 +ATOM 332 C C . LYS A 1 46 ? 40.720 -13.156 -0.625 1.00 25.09 ? ? ? ? ? ? 45 LYS L C 1 +ATOM 333 O O . LYS A 1 46 ? 41.176 -13.722 0.366 1.00 23.98 ? ? ? ? ? ? 45 LYS L O 1 +ATOM 334 C CB . LYS A 1 46 ? 42.472 -11.507 -1.412 1.00 32.51 ? ? ? ? ? ? 45 LYS L CB 1 +ATOM 335 C CG . LYS A 1 46 ? 43.075 -12.721 -2.055 1.00 41.83 ? ? ? ? ? ? 45 LYS L CG 1 +ATOM 336 C CD . LYS A 1 46 ? 44.515 -12.454 -2.454 1.00 51.58 ? ? ? ? ? ? 45 LYS L CD 1 +ATOM 337 C CE . LYS A 1 46 ? 44.797 -12.993 -3.846 1.00 55.09 ? ? ? ? ? ? 45 LYS L CE 1 +ATOM 338 N NZ . LYS A 1 46 ? 44.115 -12.170 -4.893 1.00 61.00 ? ? ? ? ? ? 45 LYS L NZ 1 +ATOM 339 N N . LEU A 1 47 ? 39.928 -13.768 -1.501 1.00 25.16 ? ? ? ? ? ? 46 LEU L N 1 +ATOM 340 C CA . LEU A 1 47 ? 39.549 -15.172 -1.339 1.00 25.28 ? ? ? ? ? ? 46 LEU L CA 1 +ATOM 341 C C . LEU A 1 47 ? 40.781 -16.071 -1.261 1.00 24.07 ? ? ? ? ? ? 46 LEU L C 1 +ATOM 342 O O . LEU A 1 47 ? 41.628 -16.073 -2.158 1.00 22.32 ? ? ? ? ? ? 46 LEU L O 1 +ATOM 343 C CB . LEU A 1 47 ? 38.640 -15.618 -2.493 1.00 21.94 ? ? ? ? ? ? 46 LEU L CB 1 +ATOM 344 C CG . LEU A 1 47 ? 38.026 -17.019 -2.392 1.00 17.02 ? ? ? ? ? ? 46 LEU L CG 1 +ATOM 345 C CD1 . LEU A 1 47 ? 37.055 -17.098 -1.232 1.00 15.09 ? ? ? ? ? ? 46 LEU L CD1 1 +ATOM 346 C CD2 . LEU A 1 47 ? 37.321 -17.338 -3.685 1.00 15.63 ? ? ? ? ? ? 46 LEU L CD2 1 +ATOM 347 N N . TRP A 1 48 ? 40.880 -16.822 -0.168 1.00 26.27 ? ? ? ? ? ? 47 TRP L N 1 +ATOM 348 C CA . TRP A 1 48 ? 42.008 -17.716 0.051 1.00 24.98 ? ? ? ? ? ? 47 TRP L CA 1 +ATOM 349 C C . TRP A 1 48 ? 41.613 -19.173 -0.144 1.00 27.00 ? ? ? ? ? ? 47 TRP L C 1 +ATOM 350 O O . TRP A 1 48 ? 42.260 -19.908 -0.894 1.00 29.21 ? ? ? ? ? ? 47 TRP L O 1 +ATOM 351 C CB . TRP A 1 48 ? 42.583 -17.512 1.450 1.00 21.80 ? ? ? ? ? ? 47 TRP L CB 1 +ATOM 352 C CG . TRP A 1 48 ? 44.074 -17.575 1.440 1.00 21.73 ? ? ? ? ? ? 47 TRP L CG 1 +ATOM 353 C CD1 . TRP A 1 48 ? 44.861 -18.493 2.075 1.00 22.51 ? ? ? ? ? ? 47 TRP L CD1 1 +ATOM 354 C CD2 . TRP A 1 48 ? 44.965 -16.736 0.685 1.00 20.28 ? ? ? ? ? ? 47 TRP L CD2 1 +ATOM 355 N NE1 . TRP A 1 48 ? 46.188 -18.282 1.760 1.00 22.22 ? ? ? ? ? ? 47 TRP L NE1 1 +ATOM 356 C CE2 . TRP A 1 48 ? 46.279 -17.212 0.910 1.00 21.17 ? ? ? ? ? ? 47 TRP L CE2 1 +ATOM 357 C CE3 . TRP A 1 48 ? 44.782 -15.633 -0.160 1.00 17.21 ? ? ? ? ? ? 47 TRP L CE3 1 +ATOM 358 C CZ2 . TRP A 1 48 ? 47.404 -16.621 0.318 1.00 20.61 ? ? ? ? ? ? 47 TRP L CZ2 1 +ATOM 359 C CZ3 . TRP A 1 48 ? 45.897 -15.050 -0.745 1.00 18.04 ? ? ? ? ? ? 47 TRP L CZ3 1 +ATOM 360 C CH2 . TRP A 1 48 ? 47.192 -15.547 -0.502 1.00 17.63 ? ? ? ? ? ? 47 TRP L CH2 1 +ATOM 361 N N . ILE A 1 49 ? 40.548 -19.587 0.532 1.00 24.14 ? ? ? ? ? ? 48 ILE L N 1 +ATOM 362 C CA . ILE A 1 49 ? 40.057 -20.951 0.414 1.00 20.85 ? ? ? ? ? ? 48 ILE L CA 1 +ATOM 363 C C . ILE A 1 49 ? 38.547 -20.904 0.214 1.00 22.72 ? ? ? ? ? ? 48 ILE L C 1 +ATOM 364 O O . ILE A 1 49 ? 37.831 -20.272 0.993 1.00 22.68 ? ? ? ? ? ? 48 ILE L O 1 +ATOM 365 C CB . ILE A 1 49 ? 40.392 -21.779 1.681 1.00 21.07 ? ? ? ? ? ? 48 ILE L CB 1 +ATOM 366 C CG1 . ILE A 1 49 ? 41.901 -22.053 1.744 1.00 23.04 ? ? ? ? ? ? 48 ILE L CG1 1 +ATOM 367 C CG2 . ILE A 1 49 ? 39.644 -23.081 1.663 1.00 17.68 ? ? ? ? ? ? 48 ILE L CG2 1 +ATOM 368 C CD1 . ILE A 1 49 ? 42.427 -22.322 3.149 1.00 22.78 ? ? ? ? ? ? 48 ILE L CD1 1 +ATOM 369 N N . TYR A 1 50 ? 38.060 -21.547 -0.845 1.00 21.54 ? ? ? ? ? ? 49 TYR L N 1 +ATOM 370 C CA . TYR A 1 50 ? 36.622 -21.578 -1.096 1.00 24.58 ? ? ? ? ? ? 49 TYR L CA 1 +ATOM 371 C C . TYR A 1 50 ? 36.050 -22.984 -0.885 1.00 25.02 ? ? ? ? ? ? 49 TYR L C 1 +ATOM 372 O O . TYR A 1 50 ? 36.749 -23.985 -1.062 1.00 27.36 ? ? ? ? ? ? 49 TYR L O 1 +ATOM 373 C CB . TYR A 1 50 ? 36.300 -21.081 -2.520 1.00 22.42 ? ? ? ? ? ? 49 TYR L CB 1 +ATOM 374 C CG . TYR A 1 50 ? 36.819 -21.950 -3.640 1.00 21.46 ? ? ? ? ? ? 49 TYR L CG 1 +ATOM 375 C CD1 . TYR A 1 50 ? 38.133 -21.834 -4.085 1.00 22.28 ? ? ? ? ? ? 49 TYR L CD1 1 +ATOM 376 C CD2 . TYR A 1 50 ? 36.001 -22.901 -4.247 1.00 25.44 ? ? ? ? ? ? 49 TYR L CD2 1 +ATOM 377 C CE1 . TYR A 1 50 ? 38.626 -22.649 -5.109 1.00 22.45 ? ? ? ? ? ? 49 TYR L CE1 1 +ATOM 378 C CE2 . TYR A 1 50 ? 36.481 -23.725 -5.275 1.00 25.23 ? ? ? ? ? ? 49 TYR L CE2 1 +ATOM 379 C CZ . TYR A 1 50 ? 37.795 -23.593 -5.699 1.00 26.41 ? ? ? ? ? ? 49 TYR L CZ 1 +ATOM 380 O OH . TYR A 1 50 ? 38.279 -24.397 -6.710 1.00 30.16 ? ? ? ? ? ? 49 TYR L OH 1 +ATOM 381 N N . SER A 1 51 ? 34.782 -23.052 -0.490 1.00 25.31 ? ? ? ? ? ? 50 SER L N 1 +ATOM 382 C CA . SER A 1 51 ? 34.117 -24.329 -0.274 1.00 24.42 ? ? ? ? ? ? 50 SER L CA 1 +ATOM 383 C C . SER A 1 51 ? 34.872 -25.222 0.689 1.00 22.10 ? ? ? ? ? ? 50 SER L C 1 +ATOM 384 O O . SER A 1 51 ? 35.027 -26.417 0.433 1.00 22.01 ? ? ? ? ? ? 50 SER L O 1 +ATOM 385 C CB . SER A 1 51 ? 33.944 -25.072 -1.604 1.00 27.46 ? ? ? ? ? ? 50 SER L CB 1 +ATOM 386 O OG . SER A 1 51 ? 32.829 -24.583 -2.323 1.00 32.62 ? ? ? ? ? ? 50 SER L OG 1 +ATOM 387 N N . THR A 1 52 ? 35.359 -24.634 1.776 1.00 22.32 ? ? ? ? ? ? 51 THR L N 1 +ATOM 388 C CA . THR A 1 52 ? 36.077 -25.363 2.832 1.00 24.18 ? ? ? ? ? ? 51 THR L CA 1 +ATOM 389 C C . THR A 1 52 ? 37.512 -25.863 2.599 1.00 22.86 ? ? ? ? ? ? 51 THR L C 1 +ATOM 390 O O . THR A 1 52 ? 38.399 -25.581 3.402 1.00 24.30 ? ? ? ? ? ? 51 THR L O 1 +ATOM 391 C CB . THR A 1 52 ? 35.241 -26.583 3.316 1.00 23.88 ? ? ? ? ? ? 51 THR L CB 1 +ATOM 392 O OG1 . THR A 1 52 ? 34.028 -26.121 3.922 1.00 25.33 ? ? ? ? ? ? 51 THR L OG1 1 +ATOM 393 C CG2 . THR A 1 52 ? 36.028 -27.417 4.325 1.00 19.16 ? ? ? ? ? ? 51 THR L CG2 1 +ATOM 394 N N . SER A 1 53 ? 37.742 -26.601 1.517 1.00 24.93 ? ? ? ? ? ? 52 SER L N 1 +ATOM 395 C CA . SER A 1 53 ? 39.065 -27.173 1.271 1.00 26.39 ? ? ? ? ? ? 52 SER L CA 1 +ATOM 396 C C . SER A 1 53 ? 39.755 -26.822 -0.043 1.00 26.72 ? ? ? ? ? ? 52 SER L C 1 +ATOM 397 O O . SER A 1 53 ? 40.842 -27.327 -0.321 1.00 29.06 ? ? ? ? ? ? 52 SER L O 1 +ATOM 398 C CB . SER A 1 53 ? 38.965 -28.697 1.366 1.00 25.55 ? ? ? ? ? ? 52 SER L CB 1 +ATOM 399 O OG . SER A 1 53 ? 37.885 -29.158 0.575 1.00 21.42 ? ? ? ? ? ? 52 SER L OG 1 +ATOM 400 N N . ASN A 1 54 ? 39.139 -25.980 -0.859 1.00 26.75 ? ? ? ? ? ? 53 ASN L N 1 +ATOM 401 C CA . ASN A 1 54 ? 39.754 -25.621 -2.127 1.00 24.82 ? ? ? ? ? ? 53 ASN L CA 1 +ATOM 402 C C . ASN A 1 54 ? 40.531 -24.319 -2.054 1.00 22.61 ? ? ? ? ? ? 53 ASN L C 1 +ATOM 403 O O . ASN A 1 54 ? 40.105 -23.369 -1.405 1.00 25.66 ? ? ? ? ? ? 53 ASN L O 1 +ATOM 404 C CB . ASN A 1 54 ? 38.693 -25.503 -3.208 1.00 28.12 ? ? ? ? ? ? 53 ASN L CB 1 +ATOM 405 C CG . ASN A 1 54 ? 37.693 -26.613 -3.158 1.00 25.88 ? ? ? ? ? ? 53 ASN L CG 1 +ATOM 406 O OD1 . ASN A 1 54 ? 37.888 -27.657 -3.772 1.00 32.45 ? ? ? ? ? ? 53 ASN L OD1 1 +ATOM 407 N ND2 . ASN A 1 54 ? 36.607 -26.400 -2.434 1.00 27.12 ? ? ? ? ? ? 53 ASN L ND2 1 +ATOM 408 N N . LEU A 1 55 ? 41.672 -24.286 -2.734 1.00 22.71 ? ? ? ? ? ? 54 LEU L N 1 +ATOM 409 C CA . LEU A 1 55 ? 42.528 -23.105 -2.771 1.00 21.74 ? ? ? ? ? ? 54 LEU L CA 1 +ATOM 410 C C . LEU A 1 55 ? 42.142 -22.168 -3.908 1.00 21.80 ? ? ? ? ? ? 54 LEU L C 1 +ATOM 411 O O . LEU A 1 55 ? 41.876 -22.609 -5.029 1.00 21.76 ? ? ? ? ? ? 54 LEU L O 1 +ATOM 412 C CB . LEU A 1 55 ? 43.983 -23.522 -2.964 1.00 20.56 ? ? ? ? ? ? 54 LEU L CB 1 +ATOM 413 C CG . LEU A 1 55 ? 44.613 -24.433 -1.923 1.00 17.92 ? ? ? ? ? ? 54 LEU L CG 1 +ATOM 414 C CD1 . LEU A 1 55 ? 46.074 -24.685 -2.294 1.00 13.85 ? ? ? ? ? ? 54 LEU L CD1 1 +ATOM 415 C CD2 . LEU A 1 55 ? 44.496 -23.776 -0.535 1.00 22.39 ? ? ? ? ? ? 54 LEU L CD2 1 +ATOM 416 N N . ALA A 1 56 ? 42.119 -20.870 -3.624 1.00 23.65 ? ? ? ? ? ? 55 ALA L N 1 +ATOM 417 C CA . ALA A 1 56 ? 41.789 -19.888 -4.651 1.00 25.98 ? ? ? ? ? ? 55 ALA L CA 1 +ATOM 418 C C . ALA A 1 56 ? 42.991 -19.685 -5.591 1.00 28.61 ? ? ? ? ? ? 55 ALA L C 1 +ATOM 419 O O . ALA A 1 56 ? 44.131 -20.004 -5.246 1.00 27.06 ? ? ? ? ? ? 55 ALA L O 1 +ATOM 420 C CB . ALA A 1 56 ? 41.395 -18.571 -4.001 1.00 22.70 ? ? ? ? ? ? 55 ALA L CB 1 +ATOM 421 N N . SER A 1 57 ? 42.733 -19.145 -6.777 1.00 31.78 ? ? ? ? ? ? 56 SER L N 1 +ATOM 422 C CA . SER A 1 57 ? 43.790 -18.916 -7.762 1.00 35.92 ? ? ? ? ? ? 56 SER L CA 1 +ATOM 423 C C . SER A 1 57 ? 45.009 -18.187 -7.187 1.00 33.85 ? ? ? ? ? ? 56 SER L C 1 +ATOM 424 O O . SER A 1 57 ? 44.880 -17.123 -6.591 1.00 32.13 ? ? ? ? ? ? 56 SER L O 1 +ATOM 425 C CB . SER A 1 57 ? 43.230 -18.119 -8.948 1.00 40.57 ? ? ? ? ? ? 56 SER L CB 1 +ATOM 426 O OG . SER A 1 57 ? 42.020 -18.682 -9.441 1.00 49.03 ? ? ? ? ? ? 56 SER L OG 1 +ATOM 427 N N . GLY A 1 58 ? 46.192 -18.765 -7.368 1.00 34.38 ? ? ? ? ? ? 57 GLY L N 1 +ATOM 428 C CA . GLY A 1 58 ? 47.400 -18.130 -6.874 1.00 33.43 ? ? ? ? ? ? 57 GLY L CA 1 +ATOM 429 C C . GLY A 1 58 ? 47.779 -18.405 -5.427 1.00 33.70 ? ? ? ? ? ? 57 GLY L C 1 +ATOM 430 O O . GLY A 1 58 ? 48.858 -18.004 -4.991 1.00 35.40 ? ? ? ? ? ? 57 GLY L O 1 +ATOM 431 N N . VAL A 1 59 ? 46.912 -19.081 -4.676 1.00 31.68 ? ? ? ? ? ? 58 VAL L N 1 +ATOM 432 C CA . VAL A 1 59 ? 47.204 -19.385 -3.273 1.00 28.27 ? ? ? ? ? ? 58 VAL L CA 1 +ATOM 433 C C . VAL A 1 59 ? 48.179 -20.567 -3.197 1.00 29.29 ? ? ? ? ? ? 58 VAL L C 1 +ATOM 434 O O . VAL A 1 59 ? 47.979 -21.604 -3.838 1.00 27.51 ? ? ? ? ? ? 58 VAL L O 1 +ATOM 435 C CB . VAL A 1 59 ? 45.895 -19.696 -2.479 1.00 22.17 ? ? ? ? ? ? 58 VAL L CB 1 +ATOM 436 C CG1 . VAL A 1 59 ? 46.210 -20.116 -1.052 1.00 17.16 ? ? ? ? ? ? 58 VAL L CG1 1 +ATOM 437 C CG2 . VAL A 1 59 ? 45.016 -18.464 -2.460 1.00 21.70 ? ? ? ? ? ? 58 VAL L CG2 1 +ATOM 438 N N . PRO A 1 60 ? 49.255 -20.413 -2.410 1.00 29.40 ? ? ? ? ? ? 59 PRO L N 1 +ATOM 439 C CA . PRO A 1 60 ? 50.292 -21.438 -2.227 1.00 30.69 ? ? ? ? ? ? 59 PRO L CA 1 +ATOM 440 C C . PRO A 1 60 ? 49.775 -22.784 -1.722 1.00 30.42 ? ? ? ? ? ? 59 PRO L C 1 +ATOM 441 O O . PRO A 1 60 ? 48.907 -22.836 -0.851 1.00 25.54 ? ? ? ? ? ? 59 PRO L O 1 +ATOM 442 C CB . PRO A 1 60 ? 51.271 -20.792 -1.249 1.00 27.98 ? ? ? ? ? ? 59 PRO L CB 1 +ATOM 443 C CG . PRO A 1 60 ? 51.011 -19.330 -1.364 1.00 29.30 ? ? ? ? ? ? 59 PRO L CG 1 +ATOM 444 C CD . PRO A 1 60 ? 49.541 -19.209 -1.616 1.00 26.64 ? ? ? ? ? ? 59 PRO L CD 1 +ATOM 445 N N . ALA A 1 61 ? 50.338 -23.863 -2.271 1.00 33.54 ? ? ? ? ? ? 60 ALA L N 1 +ATOM 446 C CA . ALA A 1 61 ? 49.951 -25.235 -1.926 1.00 33.16 ? ? ? ? ? ? 60 ALA L CA 1 +ATOM 447 C C . ALA A 1 61 ? 50.238 -25.638 -0.481 1.00 30.38 ? ? ? ? ? ? 60 ALA L C 1 +ATOM 448 O O . ALA A 1 61 ? 49.864 -26.728 -0.055 1.00 32.02 ? ? ? ? ? ? 60 ALA L O 1 +ATOM 449 C CB . ALA A 1 61 ? 50.617 -26.232 -2.892 1.00 32.26 ? ? ? ? ? ? 60 ALA L CB 1 +ATOM 450 N N . ARG A 1 62 ? 50.894 -24.766 0.273 1.00 28.45 ? ? ? ? ? ? 61 ARG L N 1 +ATOM 451 C CA . ARG A 1 62 ? 51.183 -25.060 1.668 1.00 26.76 ? ? ? ? ? ? 61 ARG L CA 1 +ATOM 452 C C . ARG A 1 62 ? 49.937 -24.851 2.531 1.00 28.65 ? ? ? ? ? ? 61 ARG L C 1 +ATOM 453 O O . ARG A 1 62 ? 49.899 -25.267 3.688 1.00 32.05 ? ? ? ? ? ? 61 ARG L O 1 +ATOM 454 C CB . ARG A 1 62 ? 52.310 -24.164 2.168 1.00 26.44 ? ? ? ? ? ? 61 ARG L CB 1 +ATOM 455 C CG . ARG A 1 62 ? 53.435 -24.002 1.168 1.00 28.18 ? ? ? ? ? ? 61 ARG L CG 1 +ATOM 456 C CD . ARG A 1 62 ? 54.460 -23.002 1.660 1.00 28.39 ? ? ? ? ? ? 61 ARG L CD 1 +ATOM 457 N NE . ARG A 1 62 ? 54.176 -21.651 1.194 1.00 28.51 ? ? ? ? ? ? 61 ARG L NE 1 +ATOM 458 C CZ . ARG A 1 62 ? 53.694 -20.684 1.968 1.00 30.79 ? ? ? ? ? ? 61 ARG L CZ 1 +ATOM 459 N NH1 . ARG A 1 62 ? 53.441 -20.922 3.250 1.00 24.61 ? ? ? ? ? ? 61 ARG L NH1 1 +ATOM 460 N NH2 . ARG A 1 62 ? 53.477 -19.474 1.461 1.00 29.78 ? ? ? ? ? ? 61 ARG L NH2 1 +ATOM 461 N N . PHE A 1 63 ? 48.920 -24.203 1.964 1.00 29.05 ? ? ? ? ? ? 62 PHE L N 1 +ATOM 462 C CA . PHE A 1 63 ? 47.667 -23.933 2.675 1.00 25.75 ? ? ? ? ? ? 62 PHE L CA 1 +ATOM 463 C C . PHE A 1 63 ? 46.659 -25.031 2.404 1.00 24.73 ? ? ? ? ? ? 62 PHE L C 1 +ATOM 464 O O . PHE A 1 63 ? 46.620 -25.586 1.307 1.00 25.23 ? ? ? ? ? ? 62 PHE L O 1 +ATOM 465 C CB . PHE A 1 63 ? 47.031 -22.620 2.199 1.00 23.59 ? ? ? ? ? ? 62 PHE L CB 1 +ATOM 466 C CG . PHE A 1 63 ? 47.701 -21.377 2.714 1.00 24.55 ? ? ? ? ? ? 62 PHE L CG 1 +ATOM 467 C CD1 . PHE A 1 63 ? 48.770 -20.812 2.027 1.00 22.94 ? ? ? ? ? ? 62 PHE L CD1 1 +ATOM 468 C CD2 . PHE A 1 63 ? 47.220 -20.733 3.849 1.00 25.27 ? ? ? ? ? ? 62 PHE L CD2 1 +ATOM 469 C CE1 . PHE A 1 63 ? 49.347 -19.615 2.460 1.00 26.06 ? ? ? ? ? ? 62 PHE L CE1 1 +ATOM 470 C CE2 . PHE A 1 63 ? 47.790 -19.541 4.290 1.00 23.91 ? ? ? ? ? ? 62 PHE L CE2 1 +ATOM 471 C CZ . PHE A 1 63 ? 48.855 -18.980 3.593 1.00 24.12 ? ? ? ? ? ? 62 PHE L CZ 1 +ATOM 472 N N . SER A 1 64 ? 45.825 -25.321 3.397 1.00 25.49 ? ? ? ? ? ? 63 SER L N 1 +ATOM 473 C CA . SER A 1 64 ? 44.773 -26.316 3.241 1.00 25.06 ? ? ? ? ? ? 63 SER L CA 1 +ATOM 474 C C . SER A 1 64 ? 43.577 -25.925 4.088 1.00 23.85 ? ? ? ? ? ? 63 SER L C 1 +ATOM 475 O O . SER A 1 64 ? 43.651 -25.000 4.898 1.00 25.92 ? ? ? ? ? ? 63 SER L O 1 +ATOM 476 C CB . SER A 1 64 ? 45.265 -27.713 3.634 1.00 25.92 ? ? ? ? ? ? 63 SER L CB 1 +ATOM 477 O OG . SER A 1 64 ? 45.686 -27.775 4.984 1.00 25.12 ? ? ? ? ? ? 63 SER L OG 1 +ATOM 478 N N . GLY A 1 65 ? 42.471 -26.626 3.882 1.00 25.60 ? ? ? ? ? ? 64 GLY L N 1 +ATOM 479 C CA . GLY A 1 65 ? 41.265 -26.353 4.641 1.00 24.79 ? ? ? ? ? ? 64 GLY L CA 1 +ATOM 480 C C . GLY A 1 65 ? 40.494 -27.641 4.846 1.00 24.21 ? ? ? ? ? ? 64 GLY L C 1 +ATOM 481 O O . GLY A 1 65 ? 40.588 -28.554 4.035 1.00 25.54 ? ? ? ? ? ? 64 GLY L O 1 +ATOM 482 N N . SER A 1 66 ? 39.727 -27.729 5.923 1.00 25.44 ? ? ? ? ? ? 65 SER L N 1 +ATOM 483 C CA . SER A 1 66 ? 38.969 -28.942 6.184 1.00 27.00 ? ? ? ? ? ? 65 SER L CA 1 +ATOM 484 C C . SER A 1 66 ? 37.822 -28.724 7.161 1.00 24.15 ? ? ? ? ? ? 65 SER L C 1 +ATOM 485 O O . SER A 1 66 ? 37.833 -27.786 7.950 1.00 20.99 ? ? ? ? ? ? 65 SER L O 1 +ATOM 486 C CB . SER A 1 66 ? 39.903 -30.037 6.711 1.00 28.72 ? ? ? ? ? ? 65 SER L CB 1 +ATOM 487 O OG . SER A 1 66 ? 40.219 -29.835 8.077 1.00 36.52 ? ? ? ? ? ? 65 SER L OG 1 +ATOM 488 N N . GLY A 1 67 ? 36.823 -29.595 7.085 1.00 23.87 ? ? ? ? ? ? 66 GLY L N 1 +ATOM 489 C CA . GLY A 1 67 ? 35.683 -29.494 7.974 1.00 23.13 ? ? ? ? ? ? 66 GLY L CA 1 +ATOM 490 C C . GLY A 1 67 ? 34.321 -29.697 7.334 1.00 22.93 ? ? ? ? ? ? 66 GLY L C 1 +ATOM 491 O O . GLY A 1 67 ? 34.195 -29.931 6.134 1.00 24.61 ? ? ? ? ? ? 66 GLY L O 1 +ATOM 492 N N . SER A 1 68 ? 33.293 -29.615 8.171 1.00 24.94 ? ? ? ? ? ? 67 SER L N 1 +ATOM 493 C CA . SER A 1 68 ? 31.898 -29.754 7.762 1.00 22.49 ? ? ? ? ? ? 67 SER L CA 1 +ATOM 494 C C . SER A 1 68 ? 31.064 -29.491 9.011 1.00 19.81 ? ? ? ? ? ? 67 SER L C 1 +ATOM 495 O O . SER A 1 68 ? 31.609 -29.332 10.103 1.00 19.69 ? ? ? ? ? ? 67 SER L O 1 +ATOM 496 C CB . SER A 1 68 ? 31.613 -31.162 7.208 1.00 23.05 ? ? ? ? ? ? 67 SER L CB 1 +ATOM 497 O OG . SER A 1 68 ? 31.967 -32.170 8.135 1.00 25.61 ? ? ? ? ? ? 67 SER L OG 1 +ATOM 498 N N . GLY A 1 69 ? 29.748 -29.426 8.855 1.00 21.05 ? ? ? ? ? ? 68 GLY L N 1 +ATOM 499 C CA . GLY A 1 69 ? 28.908 -29.176 10.007 1.00 21.09 ? ? ? ? ? ? 68 GLY L CA 1 +ATOM 500 C C . GLY A 1 69 ? 29.153 -27.810 10.610 1.00 22.20 ? ? ? ? ? ? 68 GLY L C 1 +ATOM 501 O O . GLY A 1 69 ? 28.911 -26.800 9.959 1.00 23.72 ? ? ? ? ? ? 68 GLY L O 1 +ATOM 502 N N . THR A 1 70 ? 29.641 -27.771 11.847 1.00 25.74 ? ? ? ? ? ? 69 THR L N 1 +ATOM 503 C CA . THR A 1 70 ? 29.892 -26.505 12.536 1.00 25.49 ? ? ? ? ? ? 69 THR L CA 1 +ATOM 504 C C . THR A 1 70 ? 31.364 -26.229 12.831 1.00 25.56 ? ? ? ? ? ? 69 THR L C 1 +ATOM 505 O O . THR A 1 70 ? 31.693 -25.202 13.409 1.00 26.47 ? ? ? ? ? ? 69 THR L O 1 +ATOM 506 C CB . THR A 1 70 ? 29.162 -26.468 13.886 1.00 25.27 ? ? ? ? ? ? 69 THR L CB 1 +ATOM 507 O OG1 . THR A 1 70 ? 29.562 -27.602 14.657 1.00 24.71 ? ? ? ? ? ? 69 THR L OG1 1 +ATOM 508 C CG2 . THR A 1 70 ? 27.662 -26.504 13.698 1.00 23.93 ? ? ? ? ? ? 69 THR L CG2 1 +ATOM 509 N N . SER A 1 71 ? 32.247 -27.141 12.436 1.00 30.16 ? ? ? ? ? ? 70 SER L N 1 +ATOM 510 C CA . SER A 1 71 ? 33.680 -26.993 12.719 1.00 29.47 ? ? ? ? ? ? 70 SER L CA 1 +ATOM 511 C C . SER A 1 71 ? 34.575 -26.986 11.479 1.00 25.92 ? ? ? ? ? ? 70 SER L C 1 +ATOM 512 O O . SER A 1 71 ? 34.516 -27.901 10.652 1.00 20.89 ? ? ? ? ? ? 70 SER L O 1 +ATOM 513 C CB . SER A 1 71 ? 34.125 -28.117 13.672 1.00 31.42 ? ? ? ? ? ? 70 SER L CB 1 +ATOM 514 O OG . SER A 1 71 ? 35.393 -27.845 14.245 1.00 40.38 ? ? ? ? ? ? 70 SER L OG 1 +ATOM 515 N N . TYR A 1 72 ? 35.410 -25.951 11.370 1.00 24.78 ? ? ? ? ? ? 71 TYR L N 1 +ATOM 516 C CA . TYR A 1 72 ? 36.323 -25.802 10.242 1.00 24.02 ? ? ? ? ? ? 71 TYR L CA 1 +ATOM 517 C C . TYR A 1 72 ? 37.699 -25.308 10.656 1.00 20.97 ? ? ? ? ? ? 71 TYR L C 1 +ATOM 518 O O . TYR A 1 72 ? 37.890 -24.836 11.764 1.00 26.13 ? ? ? ? ? ? 71 TYR L O 1 +ATOM 519 C CB . TYR A 1 72 ? 35.735 -24.830 9.222 1.00 22.30 ? ? ? ? ? ? 71 TYR L CB 1 +ATOM 520 C CG . TYR A 1 72 ? 34.393 -25.253 8.674 1.00 20.29 ? ? ? ? ? ? 71 TYR L CG 1 +ATOM 521 C CD1 . TYR A 1 72 ? 33.203 -24.902 9.335 1.00 19.88 ? ? ? ? ? ? 71 TYR L CD1 1 +ATOM 522 C CD2 . TYR A 1 72 ? 34.308 -26.018 7.505 1.00 14.20 ? ? ? ? ? ? 71 TYR L CD2 1 +ATOM 523 C CE1 . TYR A 1 72 ? 31.957 -25.305 8.847 1.00 15.53 ? ? ? ? ? ? 71 TYR L CE1 1 +ATOM 524 C CE2 . TYR A 1 72 ? 33.075 -26.426 7.009 1.00 10.88 ? ? ? ? ? ? 71 TYR L CE2 1 +ATOM 525 C CZ . TYR A 1 72 ? 31.907 -26.069 7.683 1.00 15.39 ? ? ? ? ? ? 71 TYR L CZ 1 +ATOM 526 O OH . TYR A 1 72 ? 30.693 -26.488 7.200 1.00 17.52 ? ? ? ? ? ? 71 TYR L OH 1 +ATOM 527 N N . SER A 1 73 ? 38.659 -25.407 9.750 1.00 24.28 ? ? ? ? ? ? 72 SER L N 1 +ATOM 528 C CA . SER A 1 73 ? 40.012 -24.961 10.037 1.00 21.94 ? ? ? ? ? ? 72 SER L CA 1 +ATOM 529 C C . SER A 1 73 ? 40.822 -24.658 8.779 1.00 21.92 ? ? ? ? ? ? 72 SER L C 1 +ATOM 530 O O . SER A 1 73 ? 40.516 -25.146 7.690 1.00 22.75 ? ? ? ? ? ? 72 SER L O 1 +ATOM 531 C CB . SER A 1 73 ? 40.735 -26.020 10.873 1.00 25.04 ? ? ? ? ? ? 72 SER L CB 1 +ATOM 532 O OG . SER A 1 73 ? 40.977 -27.208 10.128 1.00 28.39 ? ? ? ? ? ? 72 SER L OG 1 +ATOM 533 N N . LEU A 1 74 ? 41.845 -23.824 8.946 1.00 24.88 ? ? ? ? ? ? 73 LEU L N 1 +ATOM 534 C CA . LEU A 1 74 ? 42.765 -23.444 7.870 1.00 25.58 ? ? ? ? ? ? 73 LEU L CA 1 +ATOM 535 C C . LEU A 1 74 ? 44.144 -23.861 8.382 1.00 25.98 ? ? ? ? ? ? 73 LEU L C 1 +ATOM 536 O O . LEU A 1 74 ? 44.453 -23.674 9.563 1.00 24.81 ? ? ? ? ? ? 73 LEU L O 1 +ATOM 537 C CB . LEU A 1 74 ? 42.744 -21.918 7.624 1.00 26.47 ? ? ? ? ? ? 73 LEU L CB 1 +ATOM 538 C CG . LEU A 1 74 ? 43.646 -21.330 6.509 1.00 22.49 ? ? ? ? ? ? 73 LEU L CG 1 +ATOM 539 C CD1 . LEU A 1 74 ? 43.019 -20.099 5.874 1.00 17.80 ? ? ? ? ? ? 73 LEU L CD1 1 +ATOM 540 C CD2 . LEU A 1 74 ? 44.988 -20.959 7.092 1.00 21.58 ? ? ? ? ? ? 73 LEU L CD2 1 +ATOM 541 N N . THR A 1 75 ? 44.973 -24.418 7.505 1.00 28.48 ? ? ? ? ? ? 74 THR L N 1 +ATOM 542 C CA . THR A 1 75 ? 46.305 -24.868 7.917 1.00 29.13 ? ? ? ? ? ? 74 THR L CA 1 +ATOM 543 C C . THR A 1 75 ? 47.418 -24.486 6.948 1.00 26.00 ? ? ? ? ? ? 74 THR L C 1 +ATOM 544 O O . THR A 1 75 ? 47.227 -24.514 5.734 1.00 26.75 ? ? ? ? ? ? 74 THR L O 1 +ATOM 545 C CB . THR A 1 75 ? 46.330 -26.415 8.086 1.00 30.11 ? ? ? ? ? ? 74 THR L CB 1 +ATOM 546 O OG1 . THR A 1 75 ? 45.334 -26.805 9.038 1.00 31.58 ? ? ? ? ? ? 74 THR L OG1 1 +ATOM 547 C CG2 . THR A 1 75 ? 47.698 -26.893 8.561 1.00 28.24 ? ? ? ? ? ? 74 THR L CG2 1 +ATOM 548 N N . ILE A 1 76 ? 48.574 -24.122 7.493 1.00 25.18 ? ? ? ? ? ? 75 ILE L N 1 +ATOM 549 C CA . ILE A 1 76 ? 49.736 -23.788 6.669 1.00 27.24 ? ? ? ? ? ? 75 ILE L CA 1 +ATOM 550 C C . ILE A 1 76 ? 50.819 -24.815 7.008 1.00 28.52 ? ? ? ? ? ? 75 ILE L C 1 +ATOM 551 O O . ILE A 1 76 ? 51.337 -24.818 8.126 1.00 31.24 ? ? ? ? ? ? 75 ILE L O 1 +ATOM 552 C CB . ILE A 1 76 ? 50.325 -22.391 6.985 1.00 26.39 ? ? ? ? ? ? 75 ILE L CB 1 +ATOM 553 C CG1 . ILE A 1 76 ? 49.230 -21.329 7.050 1.00 25.57 ? ? ? ? ? ? 75 ILE L CG1 1 +ATOM 554 C CG2 . ILE A 1 76 ? 51.331 -22.017 5.916 1.00 23.29 ? ? ? ? ? ? 75 ILE L CG2 1 +ATOM 555 C CD1 . ILE A 1 76 ? 49.737 -19.980 7.546 1.00 19.10 ? ? ? ? ? ? 75 ILE L CD1 1 +ATOM 556 N N . SER A 1 77 ? 51.160 -25.683 6.060 1.00 28.44 ? ? ? ? ? ? 76 SER L N 1 +ATOM 557 C CA . SER A 1 77 ? 52.178 -26.700 6.312 1.00 29.82 ? ? ? ? ? ? 76 SER L CA 1 +ATOM 558 C C . SER A 1 77 ? 53.482 -26.101 6.848 1.00 31.29 ? ? ? ? ? ? 76 SER L C 1 +ATOM 559 O O . SER A 1 77 ? 54.063 -26.626 7.801 1.00 32.81 ? ? ? ? ? ? 76 SER L O 1 +ATOM 560 C CB . SER A 1 77 ? 52.449 -27.502 5.041 1.00 25.92 ? ? ? ? ? ? 76 SER L CB 1 +ATOM 561 O OG . SER A 1 77 ? 52.886 -26.667 3.990 1.00 32.17 ? ? ? ? ? ? 76 SER L OG 1 +ATOM 562 N N . SER A 1 78 ? 53.936 -25.001 6.249 1.00 32.87 ? ? ? ? ? ? 77 SER L N 1 +ATOM 563 C CA . SER A 1 78 ? 55.161 -24.339 6.690 1.00 31.15 ? ? ? ? ? ? 77 SER L CA 1 +ATOM 564 C C . SER A 1 78 ? 55.051 -22.821 6.580 1.00 30.42 ? ? ? ? ? ? 77 SER L C 1 +ATOM 565 O O . SER A 1 78 ? 54.900 -22.269 5.491 1.00 32.03 ? ? ? ? ? ? 77 SER L O 1 +ATOM 566 C CB . SER A 1 78 ? 56.347 -24.830 5.870 1.00 33.93 ? ? ? ? ? ? 77 SER L CB 1 +ATOM 567 O OG . SER A 1 78 ? 57.451 -25.085 6.716 1.00 44.04 ? ? ? ? ? ? 77 SER L OG 1 +ATOM 568 N N . MET A 1 79 ? 55.142 -22.158 7.725 1.00 30.67 ? ? ? ? ? ? 78 MET L N 1 +ATOM 569 C CA . MET A 1 79 ? 55.037 -20.710 7.822 1.00 28.79 ? ? ? ? ? ? 78 MET L CA 1 +ATOM 570 C C . MET A 1 79 ? 56.109 -19.939 7.076 1.00 30.89 ? ? ? ? ? ? 78 MET L C 1 +ATOM 571 O O . MET A 1 79 ? 57.299 -20.183 7.261 1.00 31.04 ? ? ? ? ? ? 78 MET L O 1 +ATOM 572 C CB . MET A 1 79 ? 55.079 -20.289 9.291 1.00 28.88 ? ? ? ? ? ? 78 MET L CB 1 +ATOM 573 C CG . MET A 1 79 ? 55.148 -18.788 9.506 1.00 27.57 ? ? ? ? ? ? 78 MET L CG 1 +ATOM 574 S SD . MET A 1 79 ? 53.539 -18.035 9.302 1.00 32.67 ? ? ? ? ? ? 78 MET L SD 1 +ATOM 575 C CE . MET A 1 79 ? 53.936 -16.294 9.670 1.00 36.99 ? ? ? ? ? ? 78 MET L CE 1 +ATOM 576 N N . GLU A 1 80 ? 55.670 -18.997 6.244 1.00 30.93 ? ? ? ? ? ? 79 GLU L N 1 +ATOM 577 C CA . GLU A 1 80 ? 56.560 -18.129 5.479 1.00 30.24 ? ? ? ? ? ? 79 GLU L CA 1 +ATOM 578 C C . GLU A 1 80 ? 56.107 -16.688 5.786 1.00 30.79 ? ? ? ? ? ? 79 GLU L C 1 +ATOM 579 O O . GLU A 1 80 ? 54.944 -16.457 6.111 1.00 33.61 ? ? ? ? ? ? 79 GLU L O 1 +ATOM 580 C CB . GLU A 1 80 ? 56.476 -18.457 3.973 1.00 27.75 ? ? ? ? ? ? 79 GLU L CB 1 +ATOM 581 C CG . GLU A 1 80 ? 57.279 -19.721 3.574 1.00 29.05 ? ? ? ? ? ? 79 GLU L CG 1 +ATOM 582 C CD . GLU A 1 80 ? 57.259 -20.059 2.074 1.00 30.76 ? ? ? ? ? ? 79 GLU L CD 1 +ATOM 583 O OE1 . GLU A 1 80 ? 57.384 -19.144 1.233 1.00 32.72 ? ? ? ? ? ? 79 GLU L OE1 1 +ATOM 584 O OE2 . GLU A 1 80 ? 57.130 -21.257 1.735 1.00 30.11 ? ? ? ? ? ? 79 GLU L OE2 1 +ATOM 585 N N . ALA A 1 81 ? 57.027 -15.732 5.698 1.00 30.47 ? ? ? ? ? ? 80 ALA L N 1 +ATOM 586 C CA . ALA A 1 81 ? 56.762 -14.323 6.004 1.00 26.69 ? ? ? ? ? ? 80 ALA L CA 1 +ATOM 587 C C . ALA A 1 81 ? 55.541 -13.674 5.369 1.00 27.98 ? ? ? ? ? ? 80 ALA L C 1 +ATOM 588 O O . ALA A 1 81 ? 54.870 -12.870 6.014 1.00 28.24 ? ? ? ? ? ? 80 ALA L O 1 +ATOM 589 C CB . ALA A 1 81 ? 57.998 -13.485 5.676 1.00 29.04 ? ? ? ? ? ? 80 ALA L CB 1 +ATOM 590 N N . GLU A 1 82 ? 55.256 -13.993 4.111 1.00 29.20 ? ? ? ? ? ? 81 GLU L N 1 +ATOM 591 C CA . GLU A 1 82 ? 54.106 -13.393 3.433 1.00 31.01 ? ? ? ? ? ? 81 GLU L CA 1 +ATOM 592 C C . GLU A 1 82 ? 52.749 -14.001 3.819 1.00 27.38 ? ? ? ? ? ? 81 GLU L C 1 +ATOM 593 O O . GLU A 1 82 ? 51.704 -13.598 3.302 1.00 23.41 ? ? ? ? ? ? 81 GLU L O 1 +ATOM 594 C CB . GLU A 1 82 ? 54.301 -13.460 1.916 1.00 38.76 ? ? ? ? ? ? 81 GLU L CB 1 +ATOM 595 C CG . GLU A 1 82 ? 55.343 -12.479 1.380 1.00 46.98 ? ? ? ? ? ? 81 GLU L CG 1 +ATOM 596 C CD . GLU A 1 82 ? 54.922 -11.018 1.497 1.00 51.92 ? ? ? ? ? ? 81 GLU L CD 1 +ATOM 597 O OE1 . GLU A 1 82 ? 53.992 -10.600 0.771 1.00 56.55 ? ? ? ? ? ? 81 GLU L OE1 1 +ATOM 598 O OE2 . GLU A 1 82 ? 55.527 -10.282 2.309 1.00 55.81 ? ? ? ? ? ? 81 GLU L OE2 1 +ATOM 599 N N . ASP A 1 83 ? 52.781 -14.966 4.732 1.00 27.69 ? ? ? ? ? ? 82 ASP L N 1 +ATOM 600 C CA . ASP A 1 83 ? 51.574 -15.625 5.226 1.00 29.03 ? ? ? ? ? ? 82 ASP L CA 1 +ATOM 601 C C . ASP A 1 83 ? 50.979 -14.753 6.325 1.00 26.94 ? ? ? ? ? ? 82 ASP L C 1 +ATOM 602 O O . ASP A 1 83 ? 49.798 -14.875 6.654 1.00 28.79 ? ? ? ? ? ? 82 ASP L O 1 +ATOM 603 C CB . ASP A 1 83 ? 51.910 -16.997 5.820 1.00 26.47 ? ? ? ? ? ? 82 ASP L CB 1 +ATOM 604 C CG . ASP A 1 83 ? 52.323 -18.012 4.769 1.00 30.39 ? ? ? ? ? ? 82 ASP L CG 1 +ATOM 605 O OD1 . ASP A 1 83 ? 52.018 -17.813 3.567 1.00 27.26 ? ? ? ? ? ? 82 ASP L OD1 1 +ATOM 606 O OD2 . ASP A 1 83 ? 52.958 -19.019 5.157 1.00 32.64 ? ? ? ? ? ? 82 ASP L OD2 1 +ATOM 607 N N . ALA A 1 84 ? 51.825 -13.888 6.889 1.00 25.70 ? ? ? ? ? ? 83 ALA L N 1 +ATOM 608 C CA . ALA A 1 84 ? 51.452 -12.955 7.952 1.00 24.38 ? ? ? ? ? ? 83 ALA L CA 1 +ATOM 609 C C . ALA A 1 84 ? 50.308 -12.049 7.495 1.00 22.86 ? ? ? ? ? ? 83 ALA L C 1 +ATOM 610 O O . ALA A 1 84 ? 50.473 -11.228 6.587 1.00 24.46 ? ? ? ? ? ? 83 ALA L O 1 +ATOM 611 C CB . ALA A 1 84 ? 52.664 -12.122 8.340 1.00 20.27 ? ? ? ? ? ? 83 ALA L CB 1 +ATOM 612 N N . ALA A 1 85 ? 49.148 -12.198 8.128 1.00 23.15 ? ? ? ? ? ? 84 ALA L N 1 +ATOM 613 C CA . ALA A 1 85 ? 47.969 -11.422 7.759 1.00 21.33 ? ? ? ? ? ? 84 ALA L CA 1 +ATOM 614 C C . ALA A 1 85 ? 46.823 -11.759 8.691 1.00 24.17 ? ? ? ? ? ? 84 ALA L C 1 +ATOM 615 O O . ALA A 1 85 ? 47.023 -12.395 9.719 1.00 27.98 ? ? ? ? ? ? 84 ALA L O 1 +ATOM 616 C CB . ALA A 1 85 ? 47.569 -11.757 6.337 1.00 16.82 ? ? ? ? ? ? 84 ALA L CB 1 +ATOM 617 N N . THR A 1 86 ? 45.620 -11.316 8.330 1.00 27.37 ? ? ? ? ? ? 85 THR L N 1 +ATOM 618 C CA . THR A 1 86 ? 44.417 -11.625 9.100 1.00 23.60 ? ? ? ? ? ? 85 THR L CA 1 +ATOM 619 C C . THR A 1 86 ? 43.543 -12.477 8.190 1.00 21.95 ? ? ? ? ? ? 85 THR L C 1 +ATOM 620 O O . THR A 1 86 ? 43.329 -12.134 7.027 1.00 19.90 ? ? ? ? ? ? 85 THR L O 1 +ATOM 621 C CB . THR A 1 86 ? 43.654 -10.359 9.513 1.00 22.68 ? ? ? ? ? ? 85 THR L CB 1 +ATOM 622 O OG1 . THR A 1 86 ? 44.492 -9.566 10.355 1.00 23.84 ? ? ? ? ? ? 85 THR L OG1 1 +ATOM 623 C CG2 . THR A 1 86 ? 42.397 -10.719 10.291 1.00 20.12 ? ? ? ? ? ? 85 THR L CG2 1 +ATOM 624 N N . TYR A 1 87 ? 43.077 -13.606 8.721 1.00 23.73 ? ? ? ? ? ? 86 TYR L N 1 +ATOM 625 C CA . TYR A 1 87 ? 42.239 -14.547 7.978 1.00 22.94 ? ? ? ? ? ? 86 TYR L CA 1 +ATOM 626 C C . TYR A 1 87 ? 40.844 -14.599 8.547 1.00 19.80 ? ? ? ? ? ? 86 TYR L C 1 +ATOM 627 O O . TYR A 1 87 ? 40.670 -14.786 9.744 1.00 23.58 ? ? ? ? ? ? 86 TYR L O 1 +ATOM 628 C CB . TYR A 1 87 ? 42.842 -15.955 8.025 1.00 20.38 ? ? ? ? ? ? 86 TYR L CB 1 +ATOM 629 C CG . TYR A 1 87 ? 44.189 -16.046 7.346 1.00 22.25 ? ? ? ? ? ? 86 TYR L CG 1 +ATOM 630 C CD1 . TYR A 1 87 ? 45.366 -15.759 8.041 1.00 23.38 ? ? ? ? ? ? 86 TYR L CD1 1 +ATOM 631 C CD2 . TYR A 1 87 ? 44.285 -16.373 5.992 1.00 23.69 ? ? ? ? ? ? 86 TYR L CD2 1 +ATOM 632 C CE1 . TYR A 1 87 ? 46.610 -15.788 7.400 1.00 27.93 ? ? ? ? ? ? 86 TYR L CE1 1 +ATOM 633 C CE2 . TYR A 1 87 ? 45.520 -16.405 5.340 1.00 25.24 ? ? ? ? ? ? 86 TYR L CE2 1 +ATOM 634 C CZ . TYR A 1 87 ? 46.677 -16.108 6.044 1.00 27.86 ? ? ? ? ? ? 86 TYR L CZ 1 +ATOM 635 O OH . TYR A 1 87 ? 47.884 -16.092 5.386 1.00 25.33 ? ? ? ? ? ? 86 TYR L OH 1 +ATOM 636 N N . TYR A 1 88 ? 39.854 -14.438 7.679 1.00 21.07 ? ? ? ? ? ? 87 TYR L N 1 +ATOM 637 C CA . TYR A 1 88 ? 38.450 -14.469 8.076 1.00 19.68 ? ? ? ? ? ? 87 TYR L CA 1 +ATOM 638 C C . TYR A 1 88 ? 37.716 -15.623 7.409 1.00 19.77 ? ? ? ? ? ? 87 TYR L C 1 +ATOM 639 O O . TYR A 1 88 ? 37.891 -15.859 6.218 1.00 21.41 ? ? ? ? ? ? 87 TYR L O 1 +ATOM 640 C CB . TYR A 1 88 ? 37.737 -13.189 7.645 1.00 19.26 ? ? ? ? ? ? 87 TYR L CB 1 +ATOM 641 C CG . TYR A 1 88 ? 38.254 -11.904 8.244 1.00 21.23 ? ? ? ? ? ? 87 TYR L CG 1 +ATOM 642 C CD1 . TYR A 1 88 ? 37.842 -11.489 9.512 1.00 24.45 ? ? ? ? ? ? 87 TYR L CD1 1 +ATOM 643 C CD2 . TYR A 1 88 ? 39.125 -11.083 7.533 1.00 20.49 ? ? ? ? ? ? 87 TYR L CD2 1 +ATOM 644 C CE1 . TYR A 1 88 ? 38.286 -10.284 10.062 1.00 23.74 ? ? ? ? ? ? 87 TYR L CE1 1 +ATOM 645 C CE2 . TYR A 1 88 ? 39.575 -9.876 8.071 1.00 22.54 ? ? ? ? ? ? 87 TYR L CE2 1 +ATOM 646 C CZ . TYR A 1 88 ? 39.149 -9.486 9.340 1.00 23.97 ? ? ? ? ? ? 87 TYR L CZ 1 +ATOM 647 O OH . TYR A 1 88 ? 39.587 -8.302 9.883 1.00 23.15 ? ? ? ? ? ? 87 TYR L OH 1 +ATOM 648 N N . CYS A 1 89 ? 36.896 -16.340 8.171 1.00 20.99 ? ? ? ? ? ? 88 CYS L N 1 +ATOM 649 C CA . CYS A 1 89 ? 36.089 -17.408 7.592 1.00 22.73 ? ? ? ? ? ? 88 CYS L CA 1 +ATOM 650 C C . CYS A 1 89 ? 34.737 -16.748 7.312 1.00 23.95 ? ? ? ? ? ? 88 CYS L C 1 +ATOM 651 O O . CYS A 1 89 ? 34.354 -15.779 7.982 1.00 22.83 ? ? ? ? ? ? 88 CYS L O 1 +ATOM 652 C CB . CYS A 1 89 ? 35.944 -18.605 8.544 1.00 22.18 ? ? ? ? ? ? 88 CYS L CB 1 +ATOM 653 S SG . CYS A 1 89 ? 35.181 -18.319 10.173 1.00 25.82 ? ? ? ? ? ? 88 CYS L SG 1 +ATOM 654 N N . HIS A 1 90 ? 34.023 -17.256 6.318 1.00 22.43 ? ? ? ? ? ? 89 HIS L N 1 +ATOM 655 C CA . HIS A 1 90 ? 32.760 -16.650 5.923 1.00 22.69 ? ? ? ? ? ? 89 HIS L CA 1 +ATOM 656 C C . HIS A 1 90 ? 31.723 -17.687 5.533 1.00 23.36 ? ? ? ? ? ? 89 HIS L C 1 +ATOM 657 O O . HIS A 1 90 ? 32.038 -18.657 4.849 1.00 24.81 ? ? ? ? ? ? 89 HIS L O 1 +ATOM 658 C CB . HIS A 1 90 ? 33.041 -15.702 4.741 1.00 18.43 ? ? ? ? ? ? 89 HIS L CB 1 +ATOM 659 C CG . HIS A 1 90 ? 31.825 -15.269 3.986 1.00 17.32 ? ? ? ? ? ? 89 HIS L CG 1 +ATOM 660 N ND1 . HIS A 1 90 ? 30.772 -14.610 4.579 1.00 17.10 ? ? ? ? ? ? 89 HIS L ND1 1 +ATOM 661 C CD2 . HIS A 1 90 ? 31.507 -15.386 2.675 1.00 20.05 ? ? ? ? ? ? 89 HIS L CD2 1 +ATOM 662 C CE1 . HIS A 1 90 ? 29.855 -14.341 3.667 1.00 19.51 ? ? ? ? ? ? 89 HIS L CE1 1 +ATOM 663 N NE2 . HIS A 1 90 ? 30.276 -14.802 2.503 1.00 20.21 ? ? ? ? ? ? 89 HIS L NE2 1 +ATOM 664 N N . GLN A 1 91 ? 30.489 -17.499 5.989 1.00 23.58 ? ? ? ? ? ? 90 GLN L N 1 +ATOM 665 C CA . GLN A 1 91 ? 29.423 -18.417 5.612 1.00 22.74 ? ? ? ? ? ? 90 GLN L CA 1 +ATOM 666 C C . GLN A 1 91 ? 28.469 -17.701 4.649 1.00 22.48 ? ? ? ? ? ? 90 GLN L C 1 +ATOM 667 O O . GLN A 1 91 ? 27.936 -16.629 4.953 1.00 21.42 ? ? ? ? ? ? 90 GLN L O 1 +ATOM 668 C CB . GLN A 1 91 ? 28.670 -18.948 6.853 1.00 21.51 ? ? ? ? ? ? 90 GLN L CB 1 +ATOM 669 C CG . GLN A 1 91 ? 27.836 -17.927 7.635 1.00 20.53 ? ? ? ? ? ? 90 GLN L CG 1 +ATOM 670 C CD . GLN A 1 91 ? 26.391 -17.880 7.178 1.00 22.69 ? ? ? ? ? ? 90 GLN L CD 1 +ATOM 671 O OE1 . GLN A 1 91 ? 25.973 -18.663 6.331 1.00 23.49 ? ? ? ? ? ? 90 GLN L OE1 1 +ATOM 672 N NE2 . GLN A 1 91 ? 25.621 -16.952 7.732 1.00 25.78 ? ? ? ? ? ? 90 GLN L NE2 1 +ATOM 673 N N . TYR A 1 92 ? 28.302 -18.278 3.462 1.00 21.80 ? ? ? ? ? ? 91 TYR L N 1 +ATOM 674 C CA . TYR A 1 92 ? 27.406 -17.735 2.452 1.00 20.88 ? ? ? ? ? ? 91 TYR L CA 1 +ATOM 675 C C . TYR A 1 92 ? 26.311 -18.764 2.256 1.00 19.98 ? ? ? ? ? ? 91 TYR L C 1 +ATOM 676 O O . TYR A 1 92 ? 25.814 -18.969 1.149 1.00 20.04 ? ? ? ? ? ? 91 TYR L O 1 +ATOM 677 C CB . TYR A 1 92 ? 28.144 -17.514 1.140 1.00 21.20 ? ? ? ? ? ? 91 TYR L CB 1 +ATOM 678 C CG . TYR A 1 92 ? 27.339 -16.752 0.106 1.00 22.29 ? ? ? ? ? ? 91 TYR L CG 1 +ATOM 679 C CD1 . TYR A 1 92 ? 26.674 -15.565 0.434 1.00 23.40 ? ? ? ? ? ? 91 TYR L CD1 1 +ATOM 680 C CD2 . TYR A 1 92 ? 27.254 -17.214 -1.204 1.00 19.56 ? ? ? ? ? ? 91 TYR L CD2 1 +ATOM 681 C CE1 . TYR A 1 92 ? 25.950 -14.864 -0.528 1.00 22.47 ? ? ? ? ? ? 91 TYR L CE1 1 +ATOM 682 C CE2 . TYR A 1 92 ? 26.539 -16.524 -2.163 1.00 20.14 ? ? ? ? ? ? 91 TYR L CE2 1 +ATOM 683 C CZ . TYR A 1 92 ? 25.893 -15.358 -1.824 1.00 20.74 ? ? ? ? ? ? 91 TYR L CZ 1 +ATOM 684 O OH . TYR A 1 92 ? 25.188 -14.704 -2.794 1.00 19.72 ? ? ? ? ? ? 91 TYR L OH 1 +ATOM 685 N N . HIS A 1 93 ? 25.944 -19.400 3.365 1.00 20.20 ? ? ? ? ? ? 92 HIS L N 1 +ATOM 686 C CA . HIS A 1 93 ? 24.932 -20.449 3.396 1.00 18.74 ? ? ? ? ? ? 92 HIS L CA 1 +ATOM 687 C C . HIS A 1 93 ? 23.516 -19.929 3.619 1.00 17.34 ? ? ? ? ? ? 92 HIS L C 1 +ATOM 688 O O . HIS A 1 93 ? 22.617 -20.240 2.852 1.00 22.13 ? ? ? ? ? ? 92 HIS L O 1 +ATOM 689 C CB . HIS A 1 93 ? 25.300 -21.454 4.484 1.00 18.53 ? ? ? ? ? ? 92 HIS L CB 1 +ATOM 690 C CG . HIS A 1 93 ? 24.363 -22.615 4.580 1.00 19.37 ? ? ? ? ? ? 92 HIS L CG 1 +ATOM 691 N ND1 . HIS A 1 93 ? 24.344 -23.631 3.654 1.00 20.35 ? ? ? ? ? ? 92 HIS L ND1 1 +ATOM 692 C CD2 . HIS A 1 93 ? 23.427 -22.927 5.503 1.00 18.23 ? ? ? ? ? ? 92 HIS L CD2 1 +ATOM 693 C CE1 . HIS A 1 93 ? 23.436 -24.523 4.001 1.00 16.27 ? ? ? ? ? ? 92 HIS L CE1 1 +ATOM 694 N NE2 . HIS A 1 93 ? 22.866 -24.120 5.121 1.00 19.94 ? ? ? ? ? ? 92 HIS L NE2 1 +ATOM 695 N N . ARG A 1 94 ? 23.311 -19.152 4.672 1.00 20.13 ? ? ? ? ? ? 93 ARG L N 1 +ATOM 696 C CA . ARG A 1 94 ? 21.990 -18.599 4.948 1.00 21.52 ? ? ? ? ? ? 93 ARG L CA 1 +ATOM 697 C C . ARG A 1 94 ? 22.159 -17.162 5.383 1.00 21.02 ? ? ? ? ? ? 93 ARG L C 1 +ATOM 698 O O . ARG A 1 94 ? 23.062 -16.849 6.142 1.00 22.90 ? ? ? ? ? ? 93 ARG L O 1 +ATOM 699 C CB . ARG A 1 94 ? 21.300 -19.369 6.070 1.00 26.28 ? ? ? ? ? ? 93 ARG L CB 1 +ATOM 700 C CG . ARG A 1 94 ? 20.740 -20.735 5.681 1.00 35.11 ? ? ? ? ? ? 93 ARG L CG 1 +ATOM 701 C CD . ARG A 1 94 ? 19.764 -20.656 4.510 1.00 39.88 ? ? ? ? ? ? 93 ARG L CD 1 +ATOM 702 N NE . ARG A 1 94 ? 19.255 -21.979 4.146 1.00 43.52 ? ? ? ? ? ? 93 ARG L NE 1 +ATOM 703 C CZ . ARG A 1 94 ? 19.762 -22.741 3.181 1.00 40.27 ? ? ? ? ? ? 93 ARG L CZ 1 +ATOM 704 N NH1 . ARG A 1 94 ? 20.799 -22.317 2.470 1.00 43.20 ? ? ? ? ? ? 93 ARG L NH1 1 +ATOM 705 N NH2 . ARG A 1 94 ? 19.241 -23.936 2.936 1.00 41.20 ? ? ? ? ? ? 93 ARG L NH2 1 +ATOM 706 N N . SER A 1 95 ? 21.290 -16.285 4.906 1.00 24.17 ? ? ? ? ? ? 94 SER L N 1 +ATOM 707 C CA . SER A 1 95 ? 21.384 -14.883 5.281 1.00 28.48 ? ? ? ? ? ? 94 SER L CA 1 +ATOM 708 C C . SER A 1 95 ? 20.696 -14.619 6.614 1.00 29.17 ? ? ? ? ? ? 94 SER L C 1 +ATOM 709 O O . SER A 1 95 ? 19.767 -15.331 7.010 1.00 29.68 ? ? ? ? ? ? 94 SER L O 1 +ATOM 710 C CB . SER A 1 95 ? 20.789 -13.988 4.193 1.00 31.26 ? ? ? ? ? ? 94 SER L CB 1 +ATOM 711 O OG . SER A 1 95 ? 19.381 -13.933 4.286 1.00 39.46 ? ? ? ? ? ? 94 SER L OG 1 +ATOM 712 N N . PRO A 1 96 ? 21.153 -13.587 7.330 1.00 27.20 ? ? ? ? ? ? 95 PRO L N 1 +ATOM 713 C CA . PRO A 1 96 ? 22.256 -12.724 6.894 1.00 25.21 ? ? ? ? ? ? 95 PRO L CA 1 +ATOM 714 C C . PRO A 1 96 ? 23.590 -13.463 6.846 1.00 23.47 ? ? ? ? ? ? 95 PRO L C 1 +ATOM 715 O O . PRO A 1 96 ? 23.938 -14.194 7.770 1.00 24.41 ? ? ? ? ? ? 95 PRO L O 1 +ATOM 716 C CB . PRO A 1 96 ? 22.255 -11.607 7.926 1.00 28.62 ? ? ? ? ? ? 95 PRO L CB 1 +ATOM 717 C CG . PRO A 1 96 ? 21.696 -12.260 9.164 1.00 29.54 ? ? ? ? ? ? 95 PRO L CG 1 +ATOM 718 C CD . PRO A 1 96 ? 20.639 -13.202 8.655 1.00 28.25 ? ? ? ? ? ? 95 PRO L CD 1 +ATOM 719 N N . TYR A 1 97 ? 24.328 -13.281 5.762 1.00 21.97 ? ? ? ? ? ? 96 TYR L N 1 +ATOM 720 C CA . TYR A 1 97 ? 25.614 -13.933 5.625 1.00 22.54 ? ? ? ? ? ? 96 TYR L CA 1 +ATOM 721 C C . TYR A 1 97 ? 26.551 -13.274 6.616 1.00 25.33 ? ? ? ? ? ? 96 TYR L C 1 +ATOM 722 O O . TYR A 1 97 ? 26.554 -12.051 6.751 1.00 27.50 ? ? ? ? ? ? 96 TYR L O 1 +ATOM 723 C CB . TYR A 1 97 ? 26.111 -13.778 4.197 1.00 21.52 ? ? ? ? ? ? 96 TYR L CB 1 +ATOM 724 C CG . TYR A 1 97 ? 25.035 -14.088 3.194 1.00 21.24 ? ? ? ? ? ? 96 TYR L CG 1 +ATOM 725 C CD1 . TYR A 1 97 ? 24.418 -15.334 3.171 1.00 18.33 ? ? ? ? ? ? 96 TYR L CD1 1 +ATOM 726 C CD2 . TYR A 1 97 ? 24.605 -13.123 2.295 1.00 23.95 ? ? ? ? ? ? 96 TYR L CD2 1 +ATOM 727 C CE1 . TYR A 1 97 ? 23.398 -15.611 2.278 1.00 21.57 ? ? ? ? ? ? 96 TYR L CE1 1 +ATOM 728 C CE2 . TYR A 1 97 ? 23.590 -13.383 1.399 1.00 27.29 ? ? ? ? ? ? 96 TYR L CE2 1 +ATOM 729 C CZ . TYR A 1 97 ? 22.989 -14.628 1.393 1.00 28.54 ? ? ? ? ? ? 96 TYR L CZ 1 +ATOM 730 O OH . TYR A 1 97 ? 21.985 -14.877 0.486 1.00 31.31 ? ? ? ? ? ? 96 TYR L OH 1 +ATOM 731 N N . THR A 1 98 ? 27.350 -14.080 7.309 1.00 23.30 ? ? ? ? ? ? 97 THR L N 1 +ATOM 732 C CA . THR A 1 98 ? 28.244 -13.544 8.326 1.00 23.66 ? ? ? ? ? ? 97 THR L CA 1 +ATOM 733 C C . THR A 1 98 ? 29.716 -13.898 8.147 1.00 24.40 ? ? ? ? ? ? 97 THR L C 1 +ATOM 734 O O . THR A 1 98 ? 30.068 -14.764 7.340 1.00 22.83 ? ? ? ? ? ? 97 THR L O 1 +ATOM 735 C CB . THR A 1 98 ? 27.801 -14.019 9.732 1.00 23.58 ? ? ? ? ? ? 97 THR L CB 1 +ATOM 736 O OG1 . THR A 1 98 ? 27.841 -15.450 9.784 1.00 25.81 ? ? ? ? ? ? 97 THR L OG1 1 +ATOM 737 C CG2 . THR A 1 98 ? 26.377 -13.550 10.039 1.00 22.84 ? ? ? ? ? ? 97 THR L CG2 1 +ATOM 738 N N . PHE A 1 99 ? 30.568 -13.214 8.912 1.00 22.46 ? ? ? ? ? ? 98 PHE L N 1 +ATOM 739 C CA . PHE A 1 99 ? 32.022 -13.435 8.889 1.00 22.53 ? ? ? ? ? ? 98 PHE L CA 1 +ATOM 740 C C . PHE A 1 99 ? 32.488 -13.704 10.329 1.00 22.05 ? ? ? ? ? ? 98 PHE L C 1 +ATOM 741 O O . PHE A 1 99 ? 31.822 -13.313 11.290 1.00 23.60 ? ? ? ? ? ? 98 PHE L O 1 +ATOM 742 C CB . PHE A 1 99 ? 32.768 -12.190 8.362 1.00 18.49 ? ? ? ? ? ? 98 PHE L CB 1 +ATOM 743 C CG . PHE A 1 99 ? 32.527 -11.882 6.905 1.00 20.02 ? ? ? ? ? ? 98 PHE L CG 1 +ATOM 744 C CD1 . PHE A 1 99 ? 31.359 -11.236 6.496 1.00 17.65 ? ? ? ? ? ? 98 PHE L CD1 1 +ATOM 745 C CD2 . PHE A 1 99 ? 33.484 -12.210 5.942 1.00 18.99 ? ? ? ? ? ? 98 PHE L CD2 1 +ATOM 746 C CE1 . PHE A 1 99 ? 31.148 -10.917 5.142 1.00 17.17 ? ? ? ? ? ? 98 PHE L CE1 1 +ATOM 747 C CE2 . PHE A 1 99 ? 33.280 -11.895 4.591 1.00 17.29 ? ? ? ? ? ? 98 PHE L CE2 1 +ATOM 748 C CZ . PHE A 1 99 ? 32.108 -11.246 4.195 1.00 14.74 ? ? ? ? ? ? 98 PHE L CZ 1 +ATOM 749 N N . GLY A 1 100 ? 33.631 -14.370 10.475 1.00 23.19 ? ? ? ? ? ? 99 GLY L N 1 +ATOM 750 C CA . GLY A 1 100 ? 34.170 -14.627 11.798 1.00 19.25 ? ? ? ? ? ? 99 GLY L CA 1 +ATOM 751 C C . GLY A 1 100 ? 34.936 -13.396 12.242 1.00 19.70 ? ? ? ? ? ? 99 GLY L C 1 +ATOM 752 O O . GLY A 1 100 ? 35.159 -12.484 11.446 1.00 16.64 ? ? ? ? ? ? 99 GLY L O 1 +ATOM 753 N N . GLY A 1 101 ? 35.329 -13.362 13.512 1.00 21.84 ? ? ? ? ? ? 100 GLY L N 1 +ATOM 754 C CA . GLY A 1 101 ? 36.076 -12.229 14.040 1.00 23.91 ? ? ? ? ? ? 100 GLY L CA 1 +ATOM 755 C C . GLY A 1 101 ? 37.510 -12.133 13.530 1.00 26.69 ? ? ? ? ? ? 100 GLY L C 1 +ATOM 756 O O . GLY A 1 101 ? 38.199 -11.140 13.783 1.00 25.08 ? ? ? ? ? ? 100 GLY L O 1 +ATOM 757 N N . GLY A 1 102 ? 37.958 -13.172 12.823 1.00 26.49 ? ? ? ? ? ? 101 GLY L N 1 +ATOM 758 C CA . GLY A 1 102 ? 39.293 -13.192 12.248 1.00 25.69 ? ? ? ? ? ? 101 GLY L CA 1 +ATOM 759 C C . GLY A 1 102 ? 40.429 -13.719 13.100 1.00 25.54 ? ? ? ? ? ? 101 GLY L C 1 +ATOM 760 O O . GLY A 1 102 ? 40.348 -13.750 14.321 1.00 28.48 ? ? ? ? ? ? 101 GLY L O 1 +ATOM 761 N N . THR A 1 103 ? 41.493 -14.159 12.437 1.00 27.21 ? ? ? ? ? ? 102 THR L N 1 +ATOM 762 C CA . THR A 1 103 ? 42.681 -14.653 13.121 1.00 25.34 ? ? ? ? ? ? 102 THR L CA 1 +ATOM 763 C C . THR A 1 103 ? 43.852 -13.898 12.509 1.00 21.93 ? ? ? ? ? ? 102 THR L C 1 +ATOM 764 O O . THR A 1 103 ? 44.081 -13.959 11.308 1.00 20.67 ? ? ? ? ? ? 102 THR L O 1 +ATOM 765 C CB . THR A 1 103 ? 42.890 -16.183 12.925 1.00 25.31 ? ? ? ? ? ? 102 THR L CB 1 +ATOM 766 O OG1 . THR A 1 103 ? 41.958 -16.902 13.739 1.00 27.22 ? ? ? ? ? ? 102 THR L OG1 1 +ATOM 767 C CG2 . THR A 1 103 ? 44.301 -16.594 13.341 1.00 26.16 ? ? ? ? ? ? 102 THR L CG2 1 +ATOM 768 N N . LYS A 1 104 ? 44.569 -13.164 13.347 1.00 22.28 ? ? ? ? ? ? 103 LYS L N 1 +ATOM 769 C CA . LYS A 1 104 ? 45.711 -12.385 12.901 1.00 24.47 ? ? ? ? ? ? 103 LYS L CA 1 +ATOM 770 C C . LYS A 1 104 ? 46.958 -13.215 13.071 1.00 25.56 ? ? ? ? ? ? 103 LYS L C 1 +ATOM 771 O O . LYS A 1 104 ? 47.308 -13.595 14.183 1.00 28.40 ? ? ? ? ? ? 103 LYS L O 1 +ATOM 772 C CB . LYS A 1 104 ? 45.832 -11.099 13.724 1.00 26.21 ? ? ? ? ? ? 103 LYS L CB 1 +ATOM 773 C CG . LYS A 1 104 ? 46.962 -10.176 13.305 1.00 32.10 ? ? ? ? ? ? 103 LYS L CG 1 +ATOM 774 C CD . LYS A 1 104 ? 46.902 -8.861 14.073 1.00 34.94 ? ? ? ? ? ? 103 LYS L CD 1 +ATOM 775 C CE . LYS A 1 104 ? 47.878 -7.845 13.496 1.00 40.13 ? ? ? ? ? ? 103 LYS L CE 1 +ATOM 776 N NZ . LYS A 1 104 ? 47.708 -6.497 14.109 1.00 46.27 ? ? ? ? ? ? 103 LYS L NZ 1 +ATOM 777 N N . LEU A 1 105 ? 47.621 -13.501 11.959 1.00 28.56 ? ? ? ? ? ? 104 LEU L N 1 +ATOM 778 C CA . LEU A 1 105 ? 48.837 -14.292 11.971 1.00 28.89 ? ? ? ? ? ? 104 LEU L CA 1 +ATOM 779 C C . LEU A 1 105 ? 50.062 -13.374 11.938 1.00 30.81 ? ? ? ? ? ? 104 LEU L C 1 +ATOM 780 O O . LEU A 1 105 ? 50.248 -12.603 11.000 1.00 31.63 ? ? ? ? ? ? 104 LEU L O 1 +ATOM 781 C CB . LEU A 1 105 ? 48.836 -15.238 10.766 1.00 26.80 ? ? ? ? ? ? 104 LEU L CB 1 +ATOM 782 C CG . LEU A 1 105 ? 49.955 -16.270 10.614 1.00 24.13 ? ? ? ? ? ? 104 LEU L CG 1 +ATOM 783 C CD1 . LEU A 1 105 ? 49.966 -17.204 11.800 1.00 22.45 ? ? ? ? ? ? 104 LEU L CD1 1 +ATOM 784 C CD2 . LEU A 1 105 ? 49.729 -17.049 9.335 1.00 24.73 ? ? ? ? ? ? 104 LEU L CD2 1 +ATOM 785 N N . GLU A 1 106 ? 50.887 -13.459 12.975 1.00 32.08 ? ? ? ? ? ? 105 GLU L N 1 +ATOM 786 C CA . GLU A 1 106 ? 52.094 -12.648 13.059 1.00 36.33 ? ? ? ? ? ? 105 GLU L CA 1 +ATOM 787 C C . GLU A 1 106 ? 53.345 -13.523 12.964 1.00 38.00 ? ? ? ? ? ? 105 GLU L C 1 +ATOM 788 O O . GLU A 1 106 ? 53.267 -14.753 13.033 1.00 37.07 ? ? ? ? ? ? 105 GLU L O 1 +ATOM 789 C CB . GLU A 1 106 ? 52.108 -11.866 14.372 1.00 41.34 ? ? ? ? ? ? 105 GLU L CB 1 +ATOM 790 C CG . GLU A 1 106 ? 50.728 -11.430 14.837 1.00 52.55 ? ? ? ? ? ? 105 GLU L CG 1 +ATOM 791 C CD . GLU A 1 106 ? 50.717 -10.048 15.481 1.00 57.28 ? ? ? ? ? ? 105 GLU L CD 1 +ATOM 792 O OE1 . GLU A 1 106 ? 51.061 -9.062 14.789 1.00 60.09 ? ? ? ? ? ? 105 GLU L OE1 1 +ATOM 793 O OE2 . GLU A 1 106 ? 50.355 -9.949 16.678 1.00 61.38 ? ? ? ? ? ? 105 GLU L OE2 1 +ATOM 794 N N . ILE A 1 107 ? 54.499 -12.881 12.806 1.00 38.13 ? ? ? ? ? ? 106 ILE L N 1 +ATOM 795 C CA . ILE A 1 107 ? 55.766 -13.595 12.701 1.00 38.37 ? ? ? ? ? ? 106 ILE L CA 1 +ATOM 796 C C . ILE A 1 107 ? 56.496 -13.650 14.040 1.00 41.16 ? ? ? ? ? ? 106 ILE L C 1 +ATOM 797 O O . ILE A 1 107 ? 56.684 -12.623 14.692 1.00 42.58 ? ? ? ? ? ? 106 ILE L O 1 +ATOM 798 C CB . ILE A 1 107 ? 56.697 -12.914 11.684 1.00 36.55 ? ? ? ? ? ? 106 ILE L CB 1 +ATOM 799 C CG1 . ILE A 1 107 ? 56.240 -13.240 10.266 1.00 37.85 ? ? ? ? ? ? 106 ILE L CG1 1 +ATOM 800 C CG2 . ILE A 1 107 ? 58.136 -13.369 11.897 1.00 36.53 ? ? ? ? ? ? 106 ILE L CG2 1 +ATOM 801 C CD1 . ILE A 1 107 ? 56.502 -12.125 9.286 1.00 37.52 ? ? ? ? ? ? 106 ILE L CD1 1 +ATOM 802 N N . LYS A 1 108 ? 56.909 -14.845 14.451 1.00 43.32 ? ? ? ? ? ? 107 LYS L N 1 +ATOM 803 C CA . LYS A 1 108 ? 57.638 -14.980 15.704 1.00 47.79 ? ? ? ? ? ? 107 LYS L CA 1 +ATOM 804 C C . LYS A 1 108 ? 59.137 -14.828 15.474 1.00 48.83 ? ? ? ? ? ? 107 LYS L C 1 +ATOM 805 O O . LYS A 1 108 ? 59.722 -15.474 14.597 1.00 47.30 ? ? ? ? ? ? 107 LYS L O 1 +ATOM 806 C CB . LYS A 1 108 ? 57.361 -16.331 16.365 1.00 51.55 ? ? ? ? ? ? 107 LYS L CB 1 +ATOM 807 C CG . LYS A 1 108 ? 57.659 -16.335 17.858 1.00 56.28 ? ? ? ? ? ? 107 LYS L CG 1 +ATOM 808 C CD . LYS A 1 108 ? 58.169 -17.683 18.324 1.00 62.48 ? ? ? ? ? ? 107 LYS L CD 1 +ATOM 809 C CE . LYS A 1 108 ? 57.012 -18.609 18.678 1.00 68.59 ? ? ? ? ? ? 107 LYS L CE 1 +ATOM 810 N NZ . LYS A 1 108 ? 56.999 -19.857 17.848 1.00 72.39 ? ? ? ? ? ? 107 LYS L NZ 1 +ATOM 811 N N . ARG A 1 109 ? 59.743 -13.957 16.274 1.00 50.21 ? ? ? ? ? ? 108 ARG L N 1 +ATOM 812 C CA . ARG A 1 109 ? 61.171 -13.677 16.201 1.00 51.62 ? ? ? ? ? ? 108 ARG L CA 1 +ATOM 813 C C . ARG A 1 109 ? 61.776 -13.683 17.611 1.00 53.03 ? ? ? ? ? ? 108 ARG L C 1 +ATOM 814 O O . ARG A 1 109 ? 61.064 -13.854 18.609 1.00 54.22 ? ? ? ? ? ? 108 ARG L O 1 +ATOM 815 C CB . ARG A 1 109 ? 61.399 -12.307 15.551 1.00 50.01 ? ? ? ? ? ? 108 ARG L CB 1 +ATOM 816 C CG . ARG A 1 109 ? 60.603 -11.176 16.210 1.00 48.27 ? ? ? ? ? ? 108 ARG L CG 1 +ATOM 817 C CD . ARG A 1 109 ? 61.264 -9.814 16.045 1.00 46.82 ? ? ? ? ? ? 108 ARG L CD 1 +ATOM 818 N NE . ARG A 1 109 ? 62.549 -9.887 15.354 1.00 51.47 ? ? ? ? ? ? 108 ARG L NE 1 +ATOM 819 C CZ . ARG A 1 109 ? 63.681 -9.368 15.821 1.00 51.52 ? ? ? ? ? ? 108 ARG L CZ 1 +ATOM 820 N NH1 . ARG A 1 109 ? 63.692 -8.736 16.986 1.00 52.39 ? ? ? ? ? ? 108 ARG L NH1 1 +ATOM 821 N NH2 . ARG A 1 109 ? 64.803 -9.476 15.122 1.00 48.88 ? ? ? ? ? ? 108 ARG L NH2 1 +ATOM 822 N N . ALA A 1 110 ? 63.089 -13.495 17.685 1.00 51.79 ? ? ? ? ? ? 109 ALA L N 1 +ATOM 823 C CA . ALA A 1 110 ? 63.784 -13.467 18.963 1.00 50.01 ? ? ? ? ? ? 109 ALA L CA 1 +ATOM 824 C C . ALA A 1 110 ? 63.446 -12.170 19.677 1.00 49.61 ? ? ? ? ? ? 109 ALA L C 1 +ATOM 825 O O . ALA A 1 110 ? 63.496 -11.098 19.080 1.00 49.71 ? ? ? ? ? ? 109 ALA L O 1 +ATOM 826 C CB . ALA A 1 110 ? 65.280 -13.562 18.738 1.00 51.93 ? ? ? ? ? ? 109 ALA L CB 1 +ATOM 827 N N . ASP A 1 111 ? 63.102 -12.268 20.956 1.00 49.05 ? ? ? ? ? ? 110 ASP L N 1 +ATOM 828 C CA . ASP A 1 111 ? 62.755 -11.086 21.738 1.00 49.42 ? ? ? ? ? ? 110 ASP L CA 1 +ATOM 829 C C . ASP A 1 111 ? 63.815 -9.993 21.582 1.00 45.97 ? ? ? ? ? ? 110 ASP L C 1 +ATOM 830 O O . ASP A 1 111 ? 64.976 -10.281 21.301 1.00 46.07 ? ? ? ? ? ? 110 ASP L O 1 +ATOM 831 C CB . ASP A 1 111 ? 62.607 -11.452 23.221 1.00 54.26 ? ? ? ? ? ? 110 ASP L CB 1 +ATOM 832 C CG . ASP A 1 111 ? 61.548 -12.519 23.464 1.00 58.03 ? ? ? ? ? ? 110 ASP L CG 1 +ATOM 833 O OD1 . ASP A 1 111 ? 60.843 -12.908 22.500 1.00 60.05 ? ? ? ? ? ? 110 ASP L OD1 1 +ATOM 834 O OD2 . ASP A 1 111 ? 61.424 -12.967 24.627 1.00 58.68 ? ? ? ? ? ? 110 ASP L OD2 1 +ATOM 835 N N . ALA A 1 112 ? 63.402 -8.742 21.765 1.00 44.18 ? ? ? ? ? ? 111 ALA L N 1 +ATOM 836 C CA . ALA A 1 112 ? 64.299 -7.595 21.648 1.00 41.45 ? ? ? ? ? ? 111 ALA L CA 1 +ATOM 837 C C . ALA A 1 112 ? 63.752 -6.425 22.457 1.00 39.44 ? ? ? ? ? ? 111 ALA L C 1 +ATOM 838 O O . ALA A 1 112 ? 62.614 -6.013 22.270 1.00 38.75 ? ? ? ? ? ? 111 ALA L O 1 +ATOM 839 C CB . ALA A 1 112 ? 64.452 -7.199 20.188 1.00 42.96 ? ? ? ? ? ? 111 ALA L CB 1 +ATOM 840 N N . ALA A 1 113 ? 64.573 -5.888 23.353 1.00 43.13 ? ? ? ? ? ? 112 ALA L N 1 +ATOM 841 C CA . ALA A 1 113 ? 64.161 -4.780 24.215 1.00 44.82 ? ? ? ? ? ? 112 ALA L CA 1 +ATOM 842 C C . ALA A 1 113 ? 63.850 -3.479 23.472 1.00 44.42 ? ? ? ? ? ? 112 ALA L C 1 +ATOM 843 O O . ALA A 1 113 ? 64.412 -3.201 22.414 1.00 44.53 ? ? ? ? ? ? 112 ALA L O 1 +ATOM 844 C CB . ALA A 1 113 ? 65.230 -4.532 25.275 1.00 46.16 ? ? ? ? ? ? 112 ALA L CB 1 +ATOM 845 N N . PRO A 1 114 ? 62.953 -2.655 24.040 1.00 45.31 ? ? ? ? ? ? 113 PRO L N 1 +ATOM 846 C CA . PRO A 1 114 ? 62.534 -1.370 23.466 1.00 46.99 ? ? ? ? ? ? 113 PRO L CA 1 +ATOM 847 C C . PRO A 1 114 ? 63.522 -0.215 23.623 1.00 49.55 ? ? ? ? ? ? 113 PRO L C 1 +ATOM 848 O O . PRO A 1 114 ? 64.025 0.050 24.719 1.00 52.22 ? ? ? ? ? ? 113 PRO L O 1 +ATOM 849 C CB . PRO A 1 114 ? 61.212 -1.058 24.178 1.00 46.81 ? ? ? ? ? ? 113 PRO L CB 1 +ATOM 850 C CG . PRO A 1 114 ? 60.999 -2.170 25.188 1.00 45.89 ? ? ? ? ? ? 113 PRO L CG 1 +ATOM 851 C CD . PRO A 1 114 ? 62.272 -2.929 25.315 1.00 44.46 ? ? ? ? ? ? 113 PRO L CD 1 +ATOM 852 N N . THR A 1 115 ? 63.787 0.482 22.524 1.00 48.45 ? ? ? ? ? ? 114 THR L N 1 +ATOM 853 C CA . THR A 1 115 ? 64.686 1.627 22.564 1.00 47.96 ? ? ? ? ? ? 114 THR L CA 1 +ATOM 854 C C . THR A 1 115 ? 63.827 2.864 22.835 1.00 46.13 ? ? ? ? ? ? 114 THR L C 1 +ATOM 855 O O . THR A 1 115 ? 63.168 3.394 21.938 1.00 46.95 ? ? ? ? ? ? 114 THR L O 1 +ATOM 856 C CB . THR A 1 115 ? 65.451 1.759 21.237 1.00 48.60 ? ? ? ? ? ? 114 THR L CB 1 +ATOM 857 O OG1 . THR A 1 115 ? 65.983 0.476 20.874 1.00 47.20 ? ? ? ? ? ? 114 THR L OG1 1 +ATOM 858 C CG2 . THR A 1 115 ? 66.599 2.742 21.374 1.00 48.96 ? ? ? ? ? ? 114 THR L CG2 1 +ATOM 859 N N . VAL A 1 116 ? 63.834 3.300 24.093 1.00 43.05 ? ? ? ? ? ? 115 VAL L N 1 +ATOM 860 C CA . VAL A 1 116 ? 63.045 4.440 24.546 1.00 39.85 ? ? ? ? ? ? 115 VAL L CA 1 +ATOM 861 C C . VAL A 1 116 ? 63.707 5.789 24.292 1.00 39.95 ? ? ? ? ? ? 115 VAL L C 1 +ATOM 862 O O . VAL A 1 116 ? 64.929 5.894 24.260 1.00 40.74 ? ? ? ? ? ? 115 VAL L O 1 +ATOM 863 C CB . VAL A 1 116 ? 62.727 4.306 26.060 1.00 38.77 ? ? ? ? ? ? 115 VAL L CB 1 +ATOM 864 C CG1 . VAL A 1 116 ? 61.657 5.298 26.474 1.00 40.23 ? ? ? ? ? ? 115 VAL L CG1 1 +ATOM 865 C CG2 . VAL A 1 116 ? 62.260 2.896 26.362 1.00 41.76 ? ? ? ? ? ? 115 VAL L CG2 1 +ATOM 866 N N . SER A 1 117 ? 62.874 6.812 24.108 1.00 41.48 ? ? ? ? ? ? 116 SER L N 1 +ATOM 867 C CA . SER A 1 117 ? 63.312 8.181 23.851 1.00 39.78 ? ? ? ? ? ? 116 SER L CA 1 +ATOM 868 C C . SER A 1 117 ? 62.163 9.129 24.181 1.00 39.19 ? ? ? ? ? ? 116 SER L C 1 +ATOM 869 O O . SER A 1 117 ? 61.116 9.079 23.541 1.00 43.60 ? ? ? ? ? ? 116 SER L O 1 +ATOM 870 C CB . SER A 1 117 ? 63.689 8.361 22.371 1.00 42.06 ? ? ? ? ? ? 116 SER L CB 1 +ATOM 871 O OG . SER A 1 117 ? 64.104 7.144 21.766 1.00 45.29 ? ? ? ? ? ? 116 SER L OG 1 +ATOM 872 N N . ILE A 1 118 ? 62.338 9.988 25.177 1.00 37.50 ? ? ? ? ? ? 117 ILE L N 1 +ATOM 873 C CA . ILE A 1 118 ? 61.275 10.932 25.520 1.00 39.22 ? ? ? ? ? ? 117 ILE L CA 1 +ATOM 874 C C . ILE A 1 118 ? 61.641 12.319 24.988 1.00 42.15 ? ? ? ? ? ? 117 ILE L C 1 +ATOM 875 O O . ILE A 1 118 ? 62.817 12.616 24.765 1.00 44.84 ? ? ? ? ? ? 117 ILE L O 1 +ATOM 876 C CB . ILE A 1 118 ? 61.035 11.006 27.052 1.00 34.62 ? ? ? ? ? ? 117 ILE L CB 1 +ATOM 877 C CG1 . ILE A 1 118 ? 59.922 12.012 27.363 1.00 35.33 ? ? ? ? ? ? 117 ILE L CG1 1 +ATOM 878 C CG2 . ILE A 1 118 ? 62.303 11.397 27.755 1.00 39.83 ? ? ? ? ? ? 117 ILE L CG2 1 +ATOM 879 C CD1 . ILE A 1 118 ? 59.599 12.157 28.836 1.00 35.02 ? ? ? ? ? ? 117 ILE L CD1 1 +ATOM 880 N N . PHE A 1 119 ? 60.632 13.161 24.780 1.00 43.11 ? ? ? ? ? ? 118 PHE L N 1 +ATOM 881 C CA . PHE A 1 119 ? 60.844 14.502 24.254 1.00 42.45 ? ? ? ? ? ? 118 PHE L CA 1 +ATOM 882 C C . PHE A 1 119 ? 59.905 15.507 24.913 1.00 44.43 ? ? ? ? ? ? 118 PHE L C 1 +ATOM 883 O O . PHE A 1 119 ? 58.744 15.204 25.181 1.00 45.84 ? ? ? ? ? ? 118 PHE L O 1 +ATOM 884 C CB . PHE A 1 119 ? 60.617 14.508 22.737 1.00 41.25 ? ? ? ? ? ? 118 PHE L CB 1 +ATOM 885 C CG . PHE A 1 119 ? 61.477 13.526 21.986 1.00 39.26 ? ? ? ? ? ? 118 PHE L CG 1 +ATOM 886 C CD1 . PHE A 1 119 ? 62.775 13.858 21.616 1.00 39.11 ? ? ? ? ? ? 118 PHE L CD1 1 +ATOM 887 C CD2 . PHE A 1 119 ? 60.983 12.271 21.637 1.00 42.96 ? ? ? ? ? ? 118 PHE L CD2 1 +ATOM 888 C CE1 . PHE A 1 119 ? 63.573 12.954 20.905 1.00 41.80 ? ? ? ? ? ? 118 PHE L CE1 1 +ATOM 889 C CE2 . PHE A 1 119 ? 61.771 11.356 20.927 1.00 43.84 ? ? ? ? ? ? 118 PHE L CE2 1 +ATOM 890 C CZ . PHE A 1 119 ? 63.067 11.699 20.559 1.00 45.24 ? ? ? ? ? ? 118 PHE L CZ 1 +ATOM 891 N N . PRO A 1 120 ? 60.405 16.723 25.186 1.00 46.22 ? ? ? ? ? ? 119 PRO L N 1 +ATOM 892 C CA . PRO A 1 120 ? 59.620 17.789 25.816 1.00 46.53 ? ? ? ? ? ? 119 PRO L CA 1 +ATOM 893 C C . PRO A 1 120 ? 58.929 18.684 24.789 1.00 47.96 ? ? ? ? ? ? 119 PRO L C 1 +ATOM 894 O O . PRO A 1 120 ? 59.339 18.726 23.628 1.00 47.97 ? ? ? ? ? ? 119 PRO L O 1 +ATOM 895 C CB . PRO A 1 120 ? 60.658 18.556 26.627 1.00 47.65 ? ? ? ? ? ? 119 PRO L CB 1 +ATOM 896 C CG . PRO A 1 120 ? 62.004 18.263 25.927 1.00 47.58 ? ? ? ? ? ? 119 PRO L CG 1 +ATOM 897 C CD . PRO A 1 120 ? 61.789 17.156 24.921 1.00 46.73 ? ? ? ? ? ? 119 PRO L CD 1 +ATOM 898 N N . PRO A 1 121 ? 57.869 19.408 25.203 1.00 48.22 ? ? ? ? ? ? 120 PRO L N 1 +ATOM 899 C CA . PRO A 1 121 ? 57.136 20.300 24.293 1.00 50.98 ? ? ? ? ? ? 120 PRO L CA 1 +ATOM 900 C C . PRO A 1 121 ? 58.017 21.368 23.638 1.00 54.13 ? ? ? ? ? ? 120 PRO L C 1 +ATOM 901 O O . PRO A 1 121 ? 58.841 21.990 24.309 1.00 56.48 ? ? ? ? ? ? 120 PRO L O 1 +ATOM 902 C CB . PRO A 1 121 ? 56.048 20.924 25.178 1.00 48.77 ? ? ? ? ? ? 120 PRO L CB 1 +ATOM 903 C CG . PRO A 1 121 ? 56.453 20.647 26.572 1.00 48.31 ? ? ? ? ? ? 120 PRO L CG 1 +ATOM 904 C CD . PRO A 1 121 ? 57.283 19.402 26.554 1.00 48.14 ? ? ? ? ? ? 120 PRO L CD 1 +ATOM 905 N N . SER A 1 122 ? 57.840 21.566 22.330 1.00 54.92 ? ? ? ? ? ? 121 SER L N 1 +ATOM 906 C CA . SER A 1 122 ? 58.603 22.564 21.575 1.00 56.34 ? ? ? ? ? ? 121 SER L CA 1 +ATOM 907 C C . SER A 1 122 ? 58.084 23.959 21.905 1.00 56.65 ? ? ? ? ? ? 121 SER L C 1 +ATOM 908 O O . SER A 1 122 ? 56.885 24.135 22.109 1.00 55.82 ? ? ? ? ? ? 121 SER L O 1 +ATOM 909 C CB . SER A 1 122 ? 58.457 22.317 20.069 1.00 57.09 ? ? ? ? ? ? 121 SER L CB 1 +ATOM 910 O OG . SER A 1 122 ? 59.086 21.105 19.687 1.00 61.46 ? ? ? ? ? ? 121 SER L OG 1 +ATOM 911 N N . SER A 1 123 ? 58.977 24.948 21.960 1.00 59.33 ? ? ? ? ? ? 122 SER L N 1 +ATOM 912 C CA . SER A 1 123 ? 58.562 26.319 22.263 1.00 60.23 ? ? ? ? ? ? 122 SER L CA 1 +ATOM 913 C C . SER A 1 123 ? 57.520 26.707 21.240 1.00 59.90 ? ? ? ? ? ? 122 SER L C 1 +ATOM 914 O O . SER A 1 123 ? 56.591 27.466 21.529 1.00 60.69 ? ? ? ? ? ? 122 SER L O 1 +ATOM 915 C CB . SER A 1 123 ? 59.740 27.291 22.179 1.00 61.61 ? ? ? ? ? ? 122 SER L CB 1 +ATOM 916 O OG . SER A 1 123 ? 59.646 28.270 23.198 1.00 59.54 ? ? ? ? ? ? 122 SER L OG 1 +ATOM 917 N N . GLU A 1 124 ? 57.692 26.176 20.036 1.00 59.33 ? ? ? ? ? ? 123 GLU L N 1 +ATOM 918 C CA . GLU A 1 124 ? 56.752 26.428 18.963 1.00 59.46 ? ? ? ? ? ? 123 GLU L CA 1 +ATOM 919 C C . GLU A 1 124 ? 55.388 26.012 19.502 1.00 58.46 ? ? ? ? ? ? 123 GLU L C 1 +ATOM 920 O O . GLU A 1 124 ? 54.405 26.747 19.389 1.00 56.92 ? ? ? ? ? ? 123 GLU L O 1 +ATOM 921 C CB . GLU A 1 124 ? 57.124 25.584 17.748 1.00 61.51 ? ? ? ? ? ? 123 GLU L CB 1 +ATOM 922 C CG . GLU A 1 124 ? 56.072 25.562 16.662 1.00 68.52 ? ? ? ? ? ? 123 GLU L CG 1 +ATOM 923 C CD . GLU A 1 124 ? 56.681 25.510 15.279 1.00 71.98 ? ? ? ? ? ? 123 GLU L CD 1 +ATOM 924 O OE1 . GLU A 1 124 ? 57.833 25.034 15.156 1.00 74.52 ? ? ? ? ? ? 123 GLU L OE1 1 +ATOM 925 O OE2 . GLU A 1 124 ? 56.011 25.949 14.319 1.00 73.86 ? ? ? ? ? ? 123 GLU L OE2 1 +ATOM 926 N N . GLN A 1 125 ? 55.353 24.835 20.120 1.00 58.38 ? ? ? ? ? ? 124 GLN L N 1 +ATOM 927 C CA . GLN A 1 125 ? 54.125 24.302 20.691 1.00 57.67 ? ? ? ? ? ? 124 GLN L CA 1 +ATOM 928 C C . GLN A 1 125 ? 53.747 24.967 22.009 1.00 58.18 ? ? ? ? ? ? 124 GLN L C 1 +ATOM 929 O O . GLN A 1 125 ? 52.567 25.151 22.307 1.00 56.11 ? ? ? ? ? ? 124 GLN L O 1 +ATOM 930 C CB . GLN A 1 125 ? 54.258 22.800 20.914 1.00 54.59 ? ? ? ? ? ? 124 GLN L CB 1 +ATOM 931 C CG . GLN A 1 125 ? 53.025 22.195 21.549 1.00 50.09 ? ? ? ? ? ? 124 GLN L CG 1 +ATOM 932 C CD . GLN A 1 125 ? 53.219 20.750 21.922 1.00 47.36 ? ? ? ? ? ? 124 GLN L CD 1 +ATOM 933 O OE1 . GLN A 1 125 ? 54.342 20.253 21.931 1.00 47.90 ? ? ? ? ? ? 124 GLN L OE1 1 +ATOM 934 N NE2 . GLN A 1 125 ? 52.124 20.063 22.238 1.00 45.80 ? ? ? ? ? ? 124 GLN L NE2 1 +ATOM 935 N N . LEU A 1 126 ? 54.751 25.316 22.804 1.00 59.85 ? ? ? ? ? ? 125 LEU L N 1 +ATOM 936 C CA . LEU A 1 126 ? 54.501 25.956 24.085 1.00 61.84 ? ? ? ? ? ? 125 LEU L CA 1 +ATOM 937 C C . LEU A 1 126 ? 53.897 27.345 23.892 1.00 65.92 ? ? ? ? ? ? 125 LEU L C 1 +ATOM 938 O O . LEU A 1 126 ? 52.985 27.745 24.625 1.00 68.05 ? ? ? ? ? ? 125 LEU L O 1 +ATOM 939 C CB . LEU A 1 126 ? 55.801 26.046 24.885 1.00 55.73 ? ? ? ? ? ? 125 LEU L CB 1 +ATOM 940 C CG . LEU A 1 126 ? 56.067 24.815 25.752 1.00 52.11 ? ? ? ? ? ? 125 LEU L CG 1 +ATOM 941 C CD1 . LEU A 1 126 ? 57.370 24.175 25.333 1.00 50.89 ? ? ? ? ? ? 125 LEU L CD1 1 +ATOM 942 C CD2 . LEU A 1 126 ? 56.102 25.214 27.213 1.00 49.22 ? ? ? ? ? ? 125 LEU L CD2 1 +ATOM 943 N N . THR A 1 127 ? 54.400 28.074 22.898 1.00 68.93 ? ? ? ? ? ? 126 THR L N 1 +ATOM 944 C CA . THR A 1 127 ? 53.907 29.418 22.613 1.00 71.54 ? ? ? ? ? ? 126 THR L CA 1 +ATOM 945 C C . THR A 1 127 ? 52.498 29.374 22.016 1.00 71.97 ? ? ? ? ? ? 126 THR L C 1 +ATOM 946 O O . THR A 1 127 ? 51.736 30.341 22.109 1.00 72.34 ? ? ? ? ? ? 126 THR L O 1 +ATOM 947 C CB . THR A 1 127 ? 54.851 30.167 21.644 1.00 73.78 ? ? ? ? ? ? 126 THR L CB 1 +ATOM 948 O OG1 . THR A 1 127 ? 56.215 29.958 22.040 1.00 75.61 ? ? ? ? ? ? 126 THR L OG1 1 +ATOM 949 C CG2 . THR A 1 127 ? 54.555 31.659 21.664 1.00 74.36 ? ? ? ? ? ? 126 THR L CG2 1 +ATOM 950 N N . SER A 1 128 ? 52.156 28.246 21.404 1.00 72.30 ? ? ? ? ? ? 127 SER L N 1 +ATOM 951 C CA . SER A 1 128 ? 50.833 28.079 20.818 1.00 70.36 ? ? ? ? ? ? 127 SER L CA 1 +ATOM 952 C C . SER A 1 128 ? 49.801 27.969 21.944 1.00 68.19 ? ? ? ? ? ? 127 SER L C 1 +ATOM 953 O O . SER A 1 128 ? 48.615 28.217 21.735 1.00 69.05 ? ? ? ? ? ? 127 SER L O 1 +ATOM 954 C CB . SER A 1 128 ? 50.801 26.828 19.923 1.00 71.53 ? ? ? ? ? ? 127 SER L CB 1 +ATOM 955 O OG . SER A 1 128 ? 50.779 25.628 20.682 1.00 71.14 ? ? ? ? ? ? 127 SER L OG 1 +ATOM 956 N N . GLY A 1 129 ? 50.263 27.600 23.137 1.00 65.41 ? ? ? ? ? ? 128 GLY L N 1 +ATOM 957 C CA . GLY A 1 129 ? 49.371 27.487 24.279 1.00 62.03 ? ? ? ? ? ? 128 GLY L CA 1 +ATOM 958 C C . GLY A 1 129 ? 49.109 26.079 24.788 1.00 59.53 ? ? ? ? ? ? 128 GLY L C 1 +ATOM 959 O O . GLY A 1 129 ? 48.082 25.827 25.426 1.00 61.85 ? ? ? ? ? ? 128 GLY L O 1 +ATOM 960 N N . GLY A 1 130 ? 50.029 25.160 24.517 1.00 55.16 ? ? ? ? ? ? 129 GLY L N 1 +ATOM 961 C CA . GLY A 1 130 ? 49.847 23.793 24.965 1.00 49.25 ? ? ? ? ? ? 129 GLY L CA 1 +ATOM 962 C C . GLY A 1 130 ? 51.181 23.139 25.231 1.00 47.98 ? ? ? ? ? ? 129 GLY L C 1 +ATOM 963 O O . GLY A 1 130 ? 52.226 23.741 24.990 1.00 50.20 ? ? ? ? ? ? 129 GLY L O 1 +ATOM 964 N N . ALA A 1 131 ? 51.157 21.910 25.733 1.00 46.58 ? ? ? ? ? ? 130 ALA L N 1 +ATOM 965 C CA . ALA A 1 131 ? 52.391 21.190 26.023 1.00 46.00 ? ? ? ? ? ? 130 ALA L CA 1 +ATOM 966 C C . ALA A 1 131 ? 52.180 19.689 25.913 1.00 45.90 ? ? ? ? ? ? 130 ALA L C 1 +ATOM 967 O O . ALA A 1 131 ? 51.398 19.098 26.664 1.00 48.65 ? ? ? ? ? ? 130 ALA L O 1 +ATOM 968 C CB . ALA A 1 131 ? 52.897 21.548 27.416 1.00 47.84 ? ? ? ? ? ? 130 ALA L CB 1 +ATOM 969 N N . SER A 1 132 ? 52.883 19.079 24.967 1.00 43.03 ? ? ? ? ? ? 131 SER L N 1 +ATOM 970 C CA . SER A 1 132 ? 52.786 17.648 24.742 1.00 41.26 ? ? ? ? ? ? 131 SER L CA 1 +ATOM 971 C C . SER A 1 132 ? 54.136 17.014 24.973 1.00 40.69 ? ? ? ? ? ? 131 SER L C 1 +ATOM 972 O O . SER A 1 132 ? 55.144 17.470 24.432 1.00 41.19 ? ? ? ? ? ? 131 SER L O 1 +ATOM 973 C CB . SER A 1 132 ? 52.340 17.345 23.304 1.00 40.42 ? ? ? ? ? ? 131 SER L CB 1 +ATOM 974 O OG . SER A 1 132 ? 50.983 17.695 23.084 1.00 38.15 ? ? ? ? ? ? 131 SER L OG 1 +ATOM 975 N N . VAL A 1 133 ? 54.153 15.963 25.782 1.00 39.33 ? ? ? ? ? ? 132 VAL L N 1 +ATOM 976 C CA . VAL A 1 133 ? 55.380 15.242 26.058 1.00 35.20 ? ? ? ? ? ? 132 VAL L CA 1 +ATOM 977 C C . VAL A 1 133 ? 55.229 13.941 25.299 1.00 34.43 ? ? ? ? ? ? 132 VAL L C 1 +ATOM 978 O O . VAL A 1 133 ? 54.208 13.270 25.398 1.00 37.53 ? ? ? ? ? ? 132 VAL L O 1 +ATOM 979 C CB . VAL A 1 133 ? 55.542 14.978 27.559 1.00 36.21 ? ? ? ? ? ? 132 VAL L CB 1 +ATOM 980 C CG1 . VAL A 1 133 ? 57.017 14.874 27.902 1.00 37.25 ? ? ? ? ? ? 132 VAL L CG1 1 +ATOM 981 C CG2 . VAL A 1 133 ? 54.891 16.098 28.352 1.00 34.78 ? ? ? ? ? ? 132 VAL L CG2 1 +ATOM 982 N N . VAL A 1 134 ? 56.243 13.591 24.531 1.00 32.62 ? ? ? ? ? ? 133 VAL L N 1 +ATOM 983 C CA . VAL A 1 134 ? 56.181 12.398 23.714 1.00 34.00 ? ? ? ? ? ? 133 VAL L CA 1 +ATOM 984 C C . VAL A 1 134 ? 57.297 11.439 24.055 1.00 35.54 ? ? ? ? ? ? 133 VAL L C 1 +ATOM 985 O O . VAL A 1 134 ? 58.378 11.859 24.435 1.00 37.83 ? ? ? ? ? ? 133 VAL L O 1 +ATOM 986 C CB . VAL A 1 134 ? 56.277 12.791 22.228 1.00 33.35 ? ? ? ? ? ? 133 VAL L CB 1 +ATOM 987 C CG1 . VAL A 1 134 ? 56.236 11.558 21.339 1.00 32.02 ? ? ? ? ? ? 133 VAL L CG1 1 +ATOM 988 C CG2 . VAL A 1 134 ? 55.157 13.762 21.893 1.00 28.03 ? ? ? ? ? ? 133 VAL L CG2 1 +ATOM 989 N N . CYS A 1 135 ? 57.033 10.147 23.904 1.00 35.31 ? ? ? ? ? ? 134 CYS L N 1 +ATOM 990 C CA . CYS A 1 135 ? 58.024 9.129 24.206 1.00 38.72 ? ? ? ? ? ? 134 CYS L CA 1 +ATOM 991 C C . CYS A 1 135 ? 57.891 7.981 23.212 1.00 38.62 ? ? ? ? ? ? 134 CYS L C 1 +ATOM 992 O O . CYS A 1 135 ? 56.815 7.405 23.067 1.00 42.57 ? ? ? ? ? ? 134 CYS L O 1 +ATOM 993 C CB . CYS A 1 135 ? 57.800 8.628 25.635 1.00 44.49 ? ? ? ? ? ? 134 CYS L CB 1 +ATOM 994 S SG . CYS A 1 135 ? 58.966 7.367 26.242 1.00 54.55 ? ? ? ? ? ? 134 CYS L SG 1 +ATOM 995 N N . PHE A 1 136 ? 58.974 7.654 22.523 1.00 35.93 ? ? ? ? ? ? 135 PHE L N 1 +ATOM 996 C CA . PHE A 1 136 ? 58.947 6.575 21.555 1.00 36.25 ? ? ? ? ? ? 135 PHE L CA 1 +ATOM 997 C C . PHE A 1 136 ? 59.570 5.348 22.171 1.00 39.27 ? ? ? ? ? ? 135 PHE L C 1 +ATOM 998 O O . PHE A 1 136 ? 60.496 5.453 22.962 1.00 42.74 ? ? ? ? ? ? 135 PHE L O 1 +ATOM 999 C CB . PHE A 1 136 ? 59.739 6.944 20.302 1.00 37.67 ? ? ? ? ? ? 135 PHE L CB 1 +ATOM 1000 C CG . PHE A 1 136 ? 59.216 8.157 19.576 1.00 42.16 ? ? ? ? ? ? 135 PHE L CG 1 +ATOM 1001 C CD1 . PHE A 1 136 ? 57.870 8.257 19.223 1.00 40.84 ? ? ? ? ? ? 135 PHE L CD1 1 +ATOM 1002 C CD2 . PHE A 1 136 ? 60.073 9.198 19.229 1.00 41.46 ? ? ? ? ? ? 135 PHE L CD2 1 +ATOM 1003 C CE1 . PHE A 1 136 ? 57.391 9.375 18.537 1.00 37.19 ? ? ? ? ? ? 135 PHE L CE1 1 +ATOM 1004 C CE2 . PHE A 1 136 ? 59.598 10.319 18.542 1.00 39.97 ? ? ? ? ? ? 135 PHE L CE2 1 +ATOM 1005 C CZ . PHE A 1 136 ? 58.257 10.406 18.198 1.00 36.10 ? ? ? ? ? ? 135 PHE L CZ 1 +ATOM 1006 N N . LEU A 1 137 ? 59.048 4.184 21.812 1.00 38.27 ? ? ? ? ? ? 136 LEU L N 1 +ATOM 1007 C CA . LEU A 1 137 ? 59.564 2.912 22.299 1.00 37.62 ? ? ? ? ? ? 136 LEU L CA 1 +ATOM 1008 C C . LEU A 1 137 ? 59.624 2.098 21.029 1.00 36.86 ? ? ? ? ? ? 136 LEU L C 1 +ATOM 1009 O O . LEU A 1 137 ? 58.642 1.491 20.619 1.00 35.76 ? ? ? ? ? ? 136 LEU L O 1 +ATOM 1010 C CB . LEU A 1 137 ? 58.595 2.280 23.296 1.00 39.65 ? ? ? ? ? ? 136 LEU L CB 1 +ATOM 1011 C CG . LEU A 1 137 ? 58.362 3.011 24.619 1.00 39.18 ? ? ? ? ? ? 136 LEU L CG 1 +ATOM 1012 C CD1 . LEU A 1 137 ? 57.575 4.291 24.394 1.00 41.10 ? ? ? ? ? ? 136 LEU L CD1 1 +ATOM 1013 C CD2 . LEU A 1 137 ? 57.598 2.100 25.548 1.00 42.47 ? ? ? ? ? ? 136 LEU L CD2 1 +ATOM 1014 N N . ASN A 1 138 ? 60.790 2.083 20.409 1.00 38.32 ? ? ? ? ? ? 137 ASN L N 1 +ATOM 1015 C CA . ASN A 1 138 ? 60.933 1.415 19.136 1.00 39.84 ? ? ? ? ? ? 137 ASN L CA 1 +ATOM 1016 C C . ASN A 1 138 ? 61.627 0.067 19.029 1.00 40.52 ? ? ? ? ? ? 137 ASN L C 1 +ATOM 1017 O O . ASN A 1 138 ? 62.443 -0.320 19.859 1.00 42.14 ? ? ? ? ? ? 137 ASN L O 1 +ATOM 1018 C CB . ASN A 1 138 ? 61.563 2.410 18.157 1.00 42.95 ? ? ? ? ? ? 137 ASN L CB 1 +ATOM 1019 C CG . ASN A 1 138 ? 60.866 3.769 18.184 1.00 42.49 ? ? ? ? ? ? 137 ASN L CG 1 +ATOM 1020 O OD1 . ASN A 1 138 ? 61.499 4.810 18.365 1.00 45.96 ? ? ? ? ? ? 137 ASN L OD1 1 +ATOM 1021 N ND2 . ASN A 1 138 ? 59.552 3.757 18.013 1.00 34.94 ? ? ? ? ? ? 137 ASN L ND2 1 +ATOM 1022 N N . ASN A 1 139 ? 61.257 -0.640 17.968 1.00 42.34 ? ? ? ? ? ? 138 ASN L N 1 +ATOM 1023 C CA . ASN A 1 139 ? 61.783 -1.954 17.625 1.00 43.14 ? ? ? ? ? ? 138 ASN L CA 1 +ATOM 1024 C C . ASN A 1 139 ? 61.980 -2.935 18.769 1.00 43.13 ? ? ? ? ? ? 138 ASN L C 1 +ATOM 1025 O O . ASN A 1 139 ? 63.093 -3.107 19.260 1.00 42.87 ? ? ? ? ? ? 138 ASN L O 1 +ATOM 1026 C CB . ASN A 1 139 ? 63.083 -1.776 16.853 1.00 43.84 ? ? ? ? ? ? 138 ASN L CB 1 +ATOM 1027 C CG . ASN A 1 139 ? 62.914 -0.851 15.667 1.00 45.49 ? ? ? ? ? ? 138 ASN L CG 1 +ATOM 1028 O OD1 . ASN A 1 139 ? 62.946 0.376 15.811 1.00 40.17 ? ? ? ? ? ? 138 ASN L OD1 1 +ATOM 1029 N ND2 . ASN A 1 139 ? 62.713 -1.433 14.484 1.00 45.17 ? ? ? ? ? ? 138 ASN L ND2 1 +ATOM 1030 N N . PHE A 1 140 ? 60.883 -3.579 19.173 1.00 42.77 ? ? ? ? ? ? 139 PHE L N 1 +ATOM 1031 C CA . PHE A 1 140 ? 60.891 -4.567 20.249 1.00 38.66 ? ? ? ? ? ? 139 PHE L CA 1 +ATOM 1032 C C . PHE A 1 140 ? 59.995 -5.754 19.920 1.00 40.34 ? ? ? ? ? ? 139 PHE L C 1 +ATOM 1033 O O . PHE A 1 140 ? 59.224 -5.719 18.961 1.00 40.35 ? ? ? ? ? ? 139 PHE L O 1 +ATOM 1034 C CB . PHE A 1 140 ? 60.443 -3.938 21.579 1.00 33.67 ? ? ? ? ? ? 139 PHE L CB 1 +ATOM 1035 C CG . PHE A 1 140 ? 59.095 -3.254 21.529 1.00 31.70 ? ? ? ? ? ? 139 PHE L CG 1 +ATOM 1036 C CD1 . PHE A 1 140 ? 57.915 -3.991 21.628 1.00 31.38 ? ? ? ? ? ? 139 PHE L CD1 1 +ATOM 1037 C CD2 . PHE A 1 140 ? 59.008 -1.865 21.446 1.00 31.00 ? ? ? ? ? ? 139 PHE L CD2 1 +ATOM 1038 C CE1 . PHE A 1 140 ? 56.666 -3.355 21.651 1.00 29.17 ? ? ? ? ? ? 139 PHE L CE1 1 +ATOM 1039 C CE2 . PHE A 1 140 ? 57.771 -1.219 21.468 1.00 29.21 ? ? ? ? ? ? 139 PHE L CE2 1 +ATOM 1040 C CZ . PHE A 1 140 ? 56.599 -1.964 21.571 1.00 31.65 ? ? ? ? ? ? 139 PHE L CZ 1 +ATOM 1041 N N . TYR A 1 141 ? 60.109 -6.803 20.726 1.00 41.91 ? ? ? ? ? ? 140 TYR L N 1 +ATOM 1042 C CA . TYR A 1 141 ? 59.313 -8.007 20.546 1.00 45.46 ? ? ? ? ? ? 140 TYR L CA 1 +ATOM 1043 C C . TYR A 1 141 ? 59.321 -8.845 21.821 1.00 46.99 ? ? ? ? ? ? 140 TYR L C 1 +ATOM 1044 O O . TYR A 1 141 ? 60.357 -8.976 22.468 1.00 47.57 ? ? ? ? ? ? 140 TYR L O 1 +ATOM 1045 C CB . TYR A 1 141 ? 59.873 -8.835 19.392 1.00 45.84 ? ? ? ? ? ? 140 TYR L CB 1 +ATOM 1046 C CG . TYR A 1 141 ? 58.967 -9.971 18.992 1.00 47.85 ? ? ? ? ? ? 140 TYR L CG 1 +ATOM 1047 C CD1 . TYR A 1 141 ? 57.961 -9.778 18.053 1.00 48.02 ? ? ? ? ? ? 140 TYR L CD1 1 +ATOM 1048 C CD2 . TYR A 1 141 ? 59.101 -11.232 19.567 1.00 48.03 ? ? ? ? ? ? 140 TYR L CD2 1 +ATOM 1049 C CE1 . TYR A 1 141 ? 57.110 -10.807 17.692 1.00 47.64 ? ? ? ? ? ? 140 TYR L CE1 1 +ATOM 1050 C CE2 . TYR A 1 141 ? 58.253 -12.270 19.213 1.00 48.95 ? ? ? ? ? ? 140 TYR L CE2 1 +ATOM 1051 C CZ . TYR A 1 141 ? 57.260 -12.048 18.272 1.00 47.30 ? ? ? ? ? ? 140 TYR L CZ 1 +ATOM 1052 O OH . TYR A 1 141 ? 56.422 -13.066 17.893 1.00 46.82 ? ? ? ? ? ? 140 TYR L OH 1 +ATOM 1053 N N . PRO A 1 142 ? 58.171 -9.433 22.200 1.00 48.19 ? ? ? ? ? ? 141 PRO L N 1 +ATOM 1054 C CA . PRO A 1 142 ? 56.857 -9.389 21.548 1.00 48.06 ? ? ? ? ? ? 141 PRO L CA 1 +ATOM 1055 C C . PRO A 1 142 ? 56.177 -8.030 21.604 1.00 46.44 ? ? ? ? ? ? 141 PRO L C 1 +ATOM 1056 O O . PRO A 1 142 ? 56.792 -7.033 21.964 1.00 48.61 ? ? ? ? ? ? 141 PRO L O 1 +ATOM 1057 C CB . PRO A 1 142 ? 56.049 -10.456 22.286 1.00 49.95 ? ? ? ? ? ? 141 PRO L CB 1 +ATOM 1058 C CG . PRO A 1 142 ? 56.683 -10.538 23.628 1.00 51.14 ? ? ? ? ? ? 141 PRO L CG 1 +ATOM 1059 C CD . PRO A 1 142 ? 58.151 -10.283 23.404 1.00 50.87 ? ? ? ? ? ? 141 PRO L CD 1 +ATOM 1060 N N . LYS A 1 143 ? 54.895 -8.013 21.256 1.00 46.70 ? ? ? ? ? ? 142 LYS L N 1 +ATOM 1061 C CA . LYS A 1 143 ? 54.092 -6.796 21.223 1.00 46.49 ? ? ? ? ? ? 142 LYS L CA 1 +ATOM 1062 C C . LYS A 1 143 ? 53.673 -6.288 22.598 1.00 46.87 ? ? ? ? ? ? 142 LYS L C 1 +ATOM 1063 O O . LYS A 1 143 ? 53.321 -5.121 22.749 1.00 45.27 ? ? ? ? ? ? 142 LYS L O 1 +ATOM 1064 C CB . LYS A 1 143 ? 52.840 -7.050 20.376 1.00 47.49 ? ? ? ? ? ? 142 LYS L CB 1 +ATOM 1065 C CG . LYS A 1 143 ? 52.381 -5.886 19.503 1.00 48.60 ? ? ? ? ? ? 142 LYS L CG 1 +ATOM 1066 C CD . LYS A 1 143 ? 50.972 -6.112 18.928 1.00 50.63 ? ? ? ? ? ? 142 LYS L CD 1 +ATOM 1067 C CE . LYS A 1 143 ? 50.641 -7.602 18.730 1.00 52.67 ? ? ? ? ? ? 142 LYS L CE 1 +ATOM 1068 N NZ . LYS A 1 143 ? 49.307 -7.836 18.097 1.00 53.01 ? ? ? ? ? ? 142 LYS L NZ 1 +ATOM 1069 N N . ASP A 1 144 ? 53.712 -7.167 23.596 1.00 50.60 ? ? ? ? ? ? 143 ASP L N 1 +ATOM 1070 C CA . ASP A 1 144 ? 53.302 -6.828 24.964 1.00 52.44 ? ? ? ? ? ? 143 ASP L CA 1 +ATOM 1071 C C . ASP A 1 144 ? 54.175 -5.793 25.672 1.00 50.37 ? ? ? ? ? ? 143 ASP L C 1 +ATOM 1072 O O . ASP A 1 144 ? 55.366 -6.016 25.881 1.00 47.34 ? ? ? ? ? ? 143 ASP L O 1 +ATOM 1073 C CB . ASP A 1 144 ? 53.243 -8.096 25.832 1.00 57.80 ? ? ? ? ? ? 143 ASP L CB 1 +ATOM 1074 C CG . ASP A 1 144 ? 52.858 -9.347 25.038 1.00 62.76 ? ? ? ? ? ? 143 ASP L CG 1 +ATOM 1075 O OD1 . ASP A 1 144 ? 52.144 -9.229 24.016 1.00 62.96 ? ? ? ? ? ? 143 ASP L OD1 1 +ATOM 1076 O OD2 . ASP A 1 144 ? 53.272 -10.458 25.445 1.00 64.43 ? ? ? ? ? ? 143 ASP L OD2 1 +ATOM 1077 N N . ILE A 1 145 ? 53.564 -4.671 26.057 1.00 49.84 ? ? ? ? ? ? 144 ILE L N 1 +ATOM 1078 C CA . ILE A 1 145 ? 54.272 -3.599 26.762 1.00 50.16 ? ? ? ? ? ? 144 ILE L CA 1 +ATOM 1079 C C . ILE A 1 145 ? 53.325 -2.594 27.436 1.00 51.70 ? ? ? ? ? ? 144 ILE L C 1 +ATOM 1080 O O . ILE A 1 145 ? 52.230 -2.322 26.938 1.00 51.60 ? ? ? ? ? ? 144 ILE L O 1 +ATOM 1081 C CB . ILE A 1 145 ? 55.215 -2.833 25.808 1.00 47.42 ? ? ? ? ? ? 144 ILE L CB 1 +ATOM 1082 C CG1 . ILE A 1 145 ? 56.193 -1.977 26.614 1.00 43.83 ? ? ? ? ? ? 144 ILE L CG1 1 +ATOM 1083 C CG2 . ILE A 1 145 ? 54.408 -1.953 24.872 1.00 51.04 ? ? ? ? ? ? 144 ILE L CG2 1 +ATOM 1084 C CD1 . ILE A 1 145 ? 57.198 -1.239 25.758 1.00 35.08 ? ? ? ? ? ? 144 ILE L CD1 1 +ATOM 1085 N N . ASN A 1 146 ? 53.759 -2.050 28.573 1.00 55.05 ? ? ? ? ? ? 145 ASN L N 1 +ATOM 1086 C CA . ASN A 1 146 ? 52.963 -1.078 29.330 1.00 55.22 ? ? ? ? ? ? 145 ASN L CA 1 +ATOM 1087 C C . ASN A 1 146 ? 53.741 0.230 29.516 1.00 51.31 ? ? ? ? ? ? 145 ASN L C 1 +ATOM 1088 O O . ASN A 1 146 ? 54.948 0.221 29.783 1.00 49.79 ? ? ? ? ? ? 145 ASN L O 1 +ATOM 1089 C CB . ASN A 1 146 ? 52.582 -1.663 30.696 1.00 60.67 ? ? ? ? ? ? 145 ASN L CB 1 +ATOM 1090 C CG . ASN A 1 146 ? 51.679 -0.738 31.504 1.00 66.71 ? ? ? ? ? ? 145 ASN L CG 1 +ATOM 1091 O OD1 . ASN A 1 146 ? 52.084 -0.202 32.542 1.00 68.97 ? ? ? ? ? ? 145 ASN L OD1 1 +ATOM 1092 N ND2 . ASN A 1 146 ? 50.449 -0.551 31.033 1.00 69.70 ? ? ? ? ? ? 145 ASN L ND2 1 +ATOM 1093 N N . VAL A 1 147 ? 53.044 1.351 29.382 1.00 46.68 ? ? ? ? ? ? 146 VAL L N 1 +ATOM 1094 C CA . VAL A 1 147 ? 53.682 2.651 29.511 1.00 43.67 ? ? ? ? ? ? 146 VAL L CA 1 +ATOM 1095 C C . VAL A 1 147 ? 52.996 3.524 30.552 1.00 44.09 ? ? ? ? ? ? 146 VAL L C 1 +ATOM 1096 O O . VAL A 1 147 ? 51.764 3.635 30.568 1.00 43.86 ? ? ? ? ? ? 146 VAL L O 1 +ATOM 1097 C CB . VAL A 1 147 ? 53.683 3.380 28.146 1.00 41.19 ? ? ? ? ? ? 146 VAL L CB 1 +ATOM 1098 C CG1 . VAL A 1 147 ? 54.188 4.805 28.298 1.00 35.58 ? ? ? ? ? ? 146 VAL L CG1 1 +ATOM 1099 C CG2 . VAL A 1 147 ? 54.547 2.610 27.168 1.00 39.19 ? ? ? ? ? ? 146 VAL L CG2 1 +ATOM 1100 N N . LYS A 1 148 ? 53.808 4.142 31.412 1.00 45.20 ? ? ? ? ? ? 147 LYS L N 1 +ATOM 1101 C CA . LYS A 1 148 ? 53.319 5.024 32.476 1.00 46.41 ? ? ? ? ? ? 147 LYS L CA 1 +ATOM 1102 C C . LYS A 1 148 ? 53.974 6.411 32.473 1.00 43.48 ? ? ? ? ? ? 147 LYS L C 1 +ATOM 1103 O O . LYS A 1 148 ? 55.160 6.558 32.172 1.00 39.22 ? ? ? ? ? ? 147 LYS L O 1 +ATOM 1104 C CB . LYS A 1 148 ? 53.551 4.381 33.849 1.00 51.94 ? ? ? ? ? ? 147 LYS L CB 1 +ATOM 1105 C CG . LYS A 1 148 ? 53.023 2.962 33.993 1.00 60.60 ? ? ? ? ? ? 147 LYS L CG 1 +ATOM 1106 C CD . LYS A 1 148 ? 52.365 2.750 35.359 1.00 65.74 ? ? ? ? ? ? 147 LYS L CD 1 +ATOM 1107 C CE . LYS A 1 148 ? 50.847 2.598 35.248 1.00 71.40 ? ? ? ? ? ? 147 LYS L CE 1 +ATOM 1108 N NZ . LYS A 1 148 ? 50.314 2.990 33.905 1.00 77.40 ? ? ? ? ? ? 147 LYS L NZ 1 +ATOM 1109 N N . TRP A 1 149 ? 53.186 7.422 32.825 1.00 45.72 ? ? ? ? ? ? 148 TRP L N 1 +ATOM 1110 C CA . TRP A 1 149 ? 53.662 8.800 32.893 1.00 49.57 ? ? ? ? ? ? 148 TRP L CA 1 +ATOM 1111 C C . TRP A 1 149 ? 53.623 9.247 34.353 1.00 52.58 ? ? ? ? ? ? 148 TRP L C 1 +ATOM 1112 O O . TRP A 1 149 ? 52.571 9.221 35.001 1.00 50.17 ? ? ? ? ? ? 148 TRP L O 1 +ATOM 1113 C CB . TRP A 1 149 ? 52.781 9.733 32.044 1.00 49.82 ? ? ? ? ? ? 148 TRP L CB 1 +ATOM 1114 C CG . TRP A 1 149 ? 53.048 9.651 30.558 1.00 51.61 ? ? ? ? ? ? 148 TRP L CG 1 +ATOM 1115 C CD1 . TRP A 1 149 ? 52.376 8.888 29.642 1.00 49.63 ? ? ? ? ? ? 148 TRP L CD1 1 +ATOM 1116 C CD2 . TRP A 1 149 ? 54.085 10.324 29.833 1.00 52.09 ? ? ? ? ? ? 148 TRP L CD2 1 +ATOM 1117 N NE1 . TRP A 1 149 ? 52.935 9.040 28.398 1.00 49.53 ? ? ? ? ? ? 148 TRP L NE1 1 +ATOM 1118 C CE2 . TRP A 1 149 ? 53.985 9.915 28.485 1.00 50.32 ? ? ? ? ? ? 148 TRP L CE2 1 +ATOM 1119 C CE3 . TRP A 1 149 ? 55.092 11.231 30.193 1.00 53.15 ? ? ? ? ? ? 148 TRP L CE3 1 +ATOM 1120 C CZ2 . TRP A 1 149 ? 54.853 10.382 27.495 1.00 49.73 ? ? ? ? ? ? 148 TRP L CZ2 1 +ATOM 1121 C CZ3 . TRP A 1 149 ? 55.955 11.694 29.208 1.00 52.26 ? ? ? ? ? ? 148 TRP L CZ3 1 +ATOM 1122 C CH2 . TRP A 1 149 ? 55.828 11.267 27.873 1.00 51.73 ? ? ? ? ? ? 148 TRP L CH2 1 +ATOM 1123 N N . LYS A 1 150 ? 54.785 9.646 34.862 1.00 57.61 ? ? ? ? ? ? 149 LYS L N 1 +ATOM 1124 C CA . LYS A 1 150 ? 54.927 10.100 36.241 1.00 58.57 ? ? ? ? ? ? 149 LYS L CA 1 +ATOM 1125 C C . LYS A 1 150 ? 55.202 11.606 36.306 1.00 59.67 ? ? ? ? ? ? 149 LYS L C 1 +ATOM 1126 O O . LYS A 1 150 ? 56.353 12.047 36.254 1.00 58.38 ? ? ? ? ? ? 149 LYS L O 1 +ATOM 1127 C CB . LYS A 1 150 ? 56.065 9.330 36.927 1.00 58.67 ? ? ? ? ? ? 149 LYS L CB 1 +ATOM 1128 C CG . LYS A 1 150 ? 55.773 7.848 37.146 1.00 57.69 ? ? ? ? ? ? 149 LYS L CG 1 +ATOM 1129 C CD . LYS A 1 150 ? 57.036 7.066 37.461 1.00 55.44 ? ? ? ? ? ? 149 LYS L CD 1 +ATOM 1130 C CE . LYS A 1 150 ? 56.935 5.638 36.954 1.00 55.94 ? ? ? ? ? ? 149 LYS L CE 1 +ATOM 1131 N NZ . LYS A 1 150 ? 57.551 4.675 37.902 1.00 57.19 ? ? ? ? ? ? 149 LYS L NZ 1 +ATOM 1132 N N . ILE A 1 151 ? 54.134 12.388 36.416 1.00 60.96 ? ? ? ? ? ? 150 ILE L N 1 +ATOM 1133 C CA . ILE A 1 151 ? 54.248 13.836 36.504 1.00 64.64 ? ? ? ? ? ? 150 ILE L CA 1 +ATOM 1134 C C . ILE A 1 151 ? 54.441 14.246 37.960 1.00 68.12 ? ? ? ? ? ? 150 ILE L C 1 +ATOM 1135 O O . ILE A 1 151 ? 53.470 14.410 38.706 1.00 67.03 ? ? ? ? ? ? 150 ILE L O 1 +ATOM 1136 C CB . ILE A 1 151 ? 52.983 14.524 35.956 1.00 65.80 ? ? ? ? ? ? 150 ILE L CB 1 +ATOM 1137 C CG1 . ILE A 1 151 ? 52.929 14.351 34.439 1.00 66.26 ? ? ? ? ? ? 150 ILE L CG1 1 +ATOM 1138 C CG2 . ILE A 1 151 ? 52.971 16.003 36.340 1.00 63.24 ? ? ? ? ? ? 150 ILE L CG2 1 +ATOM 1139 C CD1 . ILE A 1 151 ? 52.005 15.324 33.750 1.00 69.78 ? ? ? ? ? ? 150 ILE L CD1 1 +ATOM 1140 N N . ASP A 1 152 ? 55.704 14.406 38.352 1.00 72.12 ? ? ? ? ? ? 151 ASP L N 1 +ATOM 1141 C CA . ASP A 1 152 ? 56.070 14.797 39.716 1.00 74.45 ? ? ? ? ? ? 151 ASP L CA 1 +ATOM 1142 C C . ASP A 1 152 ? 55.713 13.717 40.742 1.00 77.63 ? ? ? ? ? ? 151 ASP L C 1 +ATOM 1143 O O . ASP A 1 152 ? 55.060 14.001 41.751 1.00 79.06 ? ? ? ? ? ? 151 ASP L O 1 +ATOM 1144 C CB . ASP A 1 152 ? 55.383 16.117 40.101 1.00 70.31 ? ? ? ? ? ? 151 ASP L CB 1 +ATOM 1145 C CG . ASP A 1 152 ? 56.199 17.343 39.719 1.00 65.66 ? ? ? ? ? ? 151 ASP L CG 1 +ATOM 1146 O OD1 . ASP A 1 152 ? 57.404 17.220 39.410 1.00 65.11 ? ? ? ? ? ? 151 ASP L OD1 1 +ATOM 1147 O OD2 . ASP A 1 152 ? 55.624 18.444 39.732 1.00 64.20 ? ? ? ? ? ? 151 ASP L OD2 1 +ATOM 1148 N N . GLY A 1 153 ? 56.141 12.483 40.477 1.00 79.78 ? ? ? ? ? ? 152 GLY L N 1 +ATOM 1149 C CA . GLY A 1 153 ? 55.868 11.380 41.387 1.00 80.79 ? ? ? ? ? ? 152 GLY L CA 1 +ATOM 1150 C C . GLY A 1 153 ? 54.412 10.960 41.484 1.00 81.03 ? ? ? ? ? ? 152 GLY L C 1 +ATOM 1151 O O . GLY A 1 153 ? 54.085 10.005 42.187 1.00 79.87 ? ? ? ? ? ? 152 GLY L O 1 +ATOM 1152 N N . SER A 1 154 ? 53.536 11.673 40.784 1.00 83.04 ? ? ? ? ? ? 153 SER L N 1 +ATOM 1153 C CA . SER A 1 154 ? 52.109 11.371 40.791 1.00 85.55 ? ? ? ? ? ? 153 SER L CA 1 +ATOM 1154 C C . SER A 1 154 ? 51.658 10.966 39.389 1.00 87.68 ? ? ? ? ? ? 153 SER L C 1 +ATOM 1155 O O . SER A 1 154 ? 51.226 11.806 38.597 1.00 89.28 ? ? ? ? ? ? 153 SER L O 1 +ATOM 1156 C CB . SER A 1 154 ? 51.305 12.592 41.261 1.00 85.03 ? ? ? ? ? ? 153 SER L CB 1 +ATOM 1157 O OG . SER A 1 154 ? 52.050 13.400 42.160 1.00 82.47 ? ? ? ? ? ? 153 SER L OG 1 +ATOM 1158 N N . GLU A 1 155 ? 51.763 9.675 39.092 1.00 89.77 ? ? ? ? ? ? 154 GLU L N 1 +ATOM 1159 C CA . GLU A 1 155 ? 51.381 9.148 37.791 1.00 92.38 ? ? ? ? ? ? 154 GLU L CA 1 +ATOM 1160 C C . GLU A 1 155 ? 50.147 9.821 37.214 1.00 93.50 ? ? ? ? ? ? 154 GLU L C 1 +ATOM 1161 O O . GLU A 1 155 ? 49.108 9.941 37.872 1.00 92.53 ? ? ? ? ? ? 154 GLU L O 1 +ATOM 1162 C CB . GLU A 1 155 ? 51.136 7.645 37.879 1.00 94.21 ? ? ? ? ? ? 154 GLU L CB 1 +ATOM 1163 C CG . GLU A 1 155 ? 52.106 6.819 37.061 1.00 96.26 ? ? ? ? ? ? 154 GLU L CG 1 +ATOM 1164 C CD . GLU A 1 155 ? 51.924 5.332 37.287 1.00 98.99 ? ? ? ? ? ? 154 GLU L CD 1 +ATOM 1165 O OE1 . GLU A 1 155 ? 50.766 4.862 37.240 1.00 99.00 ? ? ? ? ? ? 154 GLU L OE1 1 +ATOM 1166 O OE2 . GLU A 1 155 ? 52.937 4.634 37.513 1.00 99.00 ? ? ? ? ? ? 154 GLU L OE2 1 +ATOM 1167 N N . ARG A 1 156 ? 50.281 10.266 35.972 1.00 95.00 ? ? ? ? ? ? 155 ARG L N 1 +ATOM 1168 C CA . ARG A 1 156 ? 49.194 10.918 35.270 1.00 96.50 ? ? ? ? ? ? 155 ARG L CA 1 +ATOM 1169 C C . ARG A 1 156 ? 48.582 9.874 34.364 1.00 96.71 ? ? ? ? ? ? 155 ARG L C 1 +ATOM 1170 O O . ARG A 1 156 ? 49.263 9.310 33.510 1.00 96.52 ? ? ? ? ? ? 155 ARG L O 1 +ATOM 1171 C CB . ARG A 1 156 ? 49.722 12.083 34.434 1.00 97.60 ? ? ? ? ? ? 155 ARG L CB 1 +ATOM 1172 C CG . ARG A 1 156 ? 49.425 13.440 35.029 1.00 99.00 ? ? ? ? ? ? 155 ARG L CG 1 +ATOM 1173 C CD . ARG A 1 156 ? 47.932 13.652 35.168 1.00 99.00 ? ? ? ? ? ? 155 ARG L CD 1 +ATOM 1174 N NE . ARG A 1 156 ? 47.547 14.985 34.724 1.00 99.00 ? ? ? ? ? ? 155 ARG L NE 1 +ATOM 1175 C CZ . ARG A 1 156 ? 47.661 16.079 35.470 1.00 99.00 ? ? ? ? ? ? 155 ARG L CZ 1 +ATOM 1176 N NH1 . ARG A 1 156 ? 48.151 16.000 36.703 1.00 97.70 ? ? ? ? ? ? 155 ARG L NH1 1 +ATOM 1177 N NH2 . ARG A 1 156 ? 47.289 17.255 34.982 1.00 99.00 ? ? ? ? ? ? 155 ARG L NH2 1 +ATOM 1178 N N . GLN A 1 157 ? 47.299 9.603 34.557 1.00 97.27 ? ? ? ? ? ? 156 GLN L N 1 +ATOM 1179 C CA . GLN A 1 157 ? 46.633 8.608 33.735 1.00 98.09 ? ? ? ? ? ? 156 GLN L CA 1 +ATOM 1180 C C . GLN A 1 157 ? 45.889 9.236 32.555 1.00 97.47 ? ? ? ? ? ? 156 GLN L C 1 +ATOM 1181 O O . GLN A 1 157 ? 46.132 8.877 31.401 1.00 99.00 ? ? ? ? ? ? 156 GLN L O 1 +ATOM 1182 C CB . GLN A 1 157 ? 45.669 7.778 34.592 1.00 98.98 ? ? ? ? ? ? 156 GLN L CB 1 +ATOM 1183 C CG . GLN A 1 157 ? 45.336 6.405 33.998 1.00 99.00 ? ? ? ? ? ? 156 GLN L CG 1 +ATOM 1184 C CD . GLN A 1 157 ? 46.339 5.311 34.380 1.00 99.00 ? ? ? ? ? ? 156 GLN L CD 1 +ATOM 1185 O OE1 . GLN A 1 157 ? 47.524 5.376 34.028 1.00 99.00 ? ? ? ? ? ? 156 GLN L OE1 1 +ATOM 1186 N NE2 . GLN A 1 157 ? 45.859 4.294 35.099 1.00 99.00 ? ? ? ? ? ? 156 GLN L NE2 1 +ATOM 1187 N N . ASN A 1 158 ? 44.996 10.178 32.838 1.00 94.27 ? ? ? ? ? ? 157 ASN L N 1 +ATOM 1188 C CA . ASN A 1 158 ? 44.225 10.829 31.784 1.00 89.68 ? ? ? ? ? ? 157 ASN L CA 1 +ATOM 1189 C C . ASN A 1 158 ? 45.065 11.748 30.895 1.00 85.48 ? ? ? ? ? ? 157 ASN L C 1 +ATOM 1190 O O . ASN A 1 158 ? 46.142 12.207 31.294 1.00 86.10 ? ? ? ? ? ? 157 ASN L O 1 +ATOM 1191 C CB . ASN A 1 158 ? 43.053 11.613 32.393 1.00 92.17 ? ? ? ? ? ? 157 ASN L CB 1 +ATOM 1192 C CG . ASN A 1 158 ? 43.485 12.570 33.496 1.00 94.54 ? ? ? ? ? ? 157 ASN L CG 1 +ATOM 1193 O OD1 . ASN A 1 158 ? 44.305 12.219 34.349 1.00 94.83 ? ? ? ? ? ? 157 ASN L OD1 1 +ATOM 1194 N ND2 . ASN A 1 158 ? 42.941 13.785 33.482 1.00 96.54 ? ? ? ? ? ? 157 ASN L ND2 1 +ATOM 1195 N N . GLY A 1 159 ? 44.569 12.001 29.684 1.00 79.68 ? ? ? ? ? ? 158 GLY L N 1 +ATOM 1196 C CA . GLY A 1 159 ? 45.269 12.867 28.746 1.00 72.06 ? ? ? ? ? ? 158 GLY L CA 1 +ATOM 1197 C C . GLY A 1 159 ? 46.347 12.192 27.912 1.00 65.98 ? ? ? ? ? ? 158 GLY L C 1 +ATOM 1198 O O . GLY A 1 159 ? 46.977 12.823 27.063 1.00 63.12 ? ? ? ? ? ? 158 GLY L O 1 +ATOM 1199 N N . VAL A 1 160 ? 46.560 10.904 28.154 1.00 61.33 ? ? ? ? ? ? 159 VAL L N 1 +ATOM 1200 C CA . VAL A 1 160 ? 47.563 10.134 27.431 1.00 56.19 ? ? ? ? ? ? 159 VAL L CA 1 +ATOM 1201 C C . VAL A 1 160 ? 46.931 9.341 26.287 1.00 55.80 ? ? ? ? ? ? 159 VAL L C 1 +ATOM 1202 O O . VAL A 1 160 ? 45.896 8.697 26.460 1.00 57.50 ? ? ? ? ? ? 159 VAL L O 1 +ATOM 1203 C CB . VAL A 1 160 ? 48.289 9.158 28.382 1.00 53.13 ? ? ? ? ? ? 159 VAL L CB 1 +ATOM 1204 C CG1 . VAL A 1 160 ? 49.319 8.345 27.623 1.00 45.61 ? ? ? ? ? ? 159 VAL L CG1 1 +ATOM 1205 C CG2 . VAL A 1 160 ? 48.946 9.936 29.510 1.00 51.65 ? ? ? ? ? ? 159 VAL L CG2 1 +ATOM 1206 N N . LEU A 1 161 ? 47.556 9.402 25.116 1.00 53.27 ? ? ? ? ? ? 160 LEU L N 1 +ATOM 1207 C CA . LEU A 1 161 ? 47.070 8.688 23.943 1.00 49.20 ? ? ? ? ? ? 160 LEU L CA 1 +ATOM 1208 C C . LEU A 1 161 ? 48.222 7.943 23.286 1.00 45.22 ? ? ? ? ? ? 160 LEU L C 1 +ATOM 1209 O O . LEU A 1 161 ? 49.270 8.522 22.990 1.00 40.37 ? ? ? ? ? ? 160 LEU L O 1 +ATOM 1210 C CB . LEU A 1 161 ? 46.448 9.667 22.957 1.00 57.69 ? ? ? ? ? ? 160 LEU L CB 1 +ATOM 1211 C CG . LEU A 1 161 ? 45.307 10.469 23.581 1.00 66.52 ? ? ? ? ? ? 160 LEU L CG 1 +ATOM 1212 C CD1 . LEU A 1 161 ? 44.804 11.516 22.594 1.00 72.05 ? ? ? ? ? ? 160 LEU L CD1 1 +ATOM 1213 C CD2 . LEU A 1 161 ? 44.184 9.511 23.987 1.00 70.16 ? ? ? ? ? ? 160 LEU L CD2 1 +ATOM 1214 N N . ASN A 1 162 ? 48.018 6.650 23.066 1.00 41.11 ? ? ? ? ? ? 161 ASN L N 1 +ATOM 1215 C CA . ASN A 1 162 ? 49.039 5.811 22.467 1.00 37.23 ? ? ? ? ? ? 161 ASN L CA 1 +ATOM 1216 C C . ASN A 1 162 ? 48.693 5.376 21.051 1.00 35.70 ? ? ? ? ? ? 161 ASN L C 1 +ATOM 1217 O O . ASN A 1 162 ? 47.549 5.514 20.601 1.00 31.08 ? ? ? ? ? ? 161 ASN L O 1 +ATOM 1218 C CB . ASN A 1 162 ? 49.274 4.581 23.345 1.00 39.09 ? ? ? ? ? ? 161 ASN L CB 1 +ATOM 1219 C CG . ASN A 1 162 ? 49.280 4.914 24.823 1.00 37.65 ? ? ? ? ? ? 161 ASN L CG 1 +ATOM 1220 O OD1 . ASN A 1 162 ? 50.233 5.497 25.335 1.00 37.26 ? ? ? ? ? ? 161 ASN L OD1 1 +ATOM 1221 N ND2 . ASN A 1 162 ? 48.212 4.546 25.516 1.00 40.18 ? ? ? ? ? ? 161 ASN L ND2 1 +ATOM 1222 N N . SER A 1 163 ? 49.701 4.845 20.363 1.00 34.74 ? ? ? ? ? ? 162 SER L N 1 +ATOM 1223 C CA . SER A 1 163 ? 49.569 4.381 18.988 1.00 33.63 ? ? ? ? ? ? 162 SER L CA 1 +ATOM 1224 C C . SER A 1 163 ? 50.653 3.352 18.735 1.00 33.70 ? ? ? ? ? ? 162 SER L C 1 +ATOM 1225 O O . SER A 1 163 ? 51.822 3.599 19.003 1.00 34.91 ? ? ? ? ? ? 162 SER L O 1 +ATOM 1226 C CB . SER A 1 163 ? 49.733 5.559 18.024 1.00 34.37 ? ? ? ? ? ? 162 SER L CB 1 +ATOM 1227 O OG . SER A 1 163 ? 49.392 5.204 16.701 1.00 32.23 ? ? ? ? ? ? 162 SER L OG 1 +ATOM 1228 N N . TRP A 1 164 ? 50.257 2.188 18.236 1.00 36.27 ? ? ? ? ? ? 163 TRP L N 1 +ATOM 1229 C CA . TRP A 1 164 ? 51.195 1.113 17.949 1.00 36.90 ? ? ? ? ? ? 163 TRP L CA 1 +ATOM 1230 C C . TRP A 1 164 ? 51.263 0.937 16.456 1.00 38.92 ? ? ? ? ? ? 163 TRP L C 1 +ATOM 1231 O O . TRP A 1 164 ? 50.301 1.226 15.752 1.00 38.41 ? ? ? ? ? ? 163 TRP L O 1 +ATOM 1232 C CB . TRP A 1 164 ? 50.726 -0.213 18.552 1.00 40.17 ? ? ? ? ? ? 163 TRP L CB 1 +ATOM 1233 C CG . TRP A 1 164 ? 50.688 -0.264 20.054 1.00 41.83 ? ? ? ? ? ? 163 TRP L CG 1 +ATOM 1234 C CD1 . TRP A 1 164 ? 51.570 -0.908 20.874 1.00 40.84 ? ? ? ? ? ? 163 TRP L CD1 1 +ATOM 1235 C CD2 . TRP A 1 164 ? 49.695 0.323 20.912 1.00 41.36 ? ? ? ? ? ? 163 TRP L CD2 1 +ATOM 1236 N NE1 . TRP A 1 164 ? 51.189 -0.759 22.188 1.00 42.54 ? ? ? ? ? ? 163 TRP L NE1 1 +ATOM 1237 C CE2 . TRP A 1 164 ? 50.043 -0.008 22.240 1.00 39.40 ? ? ? ? ? ? 163 TRP L CE2 1 +ATOM 1238 C CE3 . TRP A 1 164 ? 48.544 1.097 20.684 1.00 43.49 ? ? ? ? ? ? 163 TRP L CE3 1 +ATOM 1239 C CZ2 . TRP A 1 164 ? 49.285 0.407 23.341 1.00 40.42 ? ? ? ? ? ? 163 TRP L CZ2 1 +ATOM 1240 C CZ3 . TRP A 1 164 ? 47.785 1.512 21.781 1.00 44.87 ? ? ? ? ? ? 163 TRP L CZ3 1 +ATOM 1241 C CH2 . TRP A 1 164 ? 48.163 1.164 23.096 1.00 43.63 ? ? ? ? ? ? 163 TRP L CH2 1 +ATOM 1242 N N . THR A 1 165 ? 52.405 0.462 15.977 1.00 40.55 ? ? ? ? ? ? 164 THR L N 1 +ATOM 1243 C CA . THR A 1 165 ? 52.588 0.220 14.557 1.00 42.53 ? ? ? ? ? ? 164 THR L CA 1 +ATOM 1244 C C . THR A 1 165 ? 52.409 -1.267 14.317 1.00 44.88 ? ? ? ? ? ? 164 THR L C 1 +ATOM 1245 O O . THR A 1 165 ? 52.432 -2.066 15.254 1.00 43.59 ? ? ? ? ? ? 164 THR L O 1 +ATOM 1246 C CB . THR A 1 165 ? 54.000 0.586 14.081 1.00 41.26 ? ? ? ? ? ? 164 THR L CB 1 +ATOM 1247 O OG1 . THR A 1 165 ? 54.961 -0.187 14.815 1.00 42.05 ? ? ? ? ? ? 164 THR L OG1 1 +ATOM 1248 C CG2 . THR A 1 165 ? 54.263 2.070 14.264 1.00 37.83 ? ? ? ? ? ? 164 THR L CG2 1 +ATOM 1249 N N . ASP A 1 166 ? 52.229 -1.634 13.057 1.00 48.62 ? ? ? ? ? ? 165 ASP L N 1 +ATOM 1250 C CA . ASP A 1 166 ? 52.068 -3.033 12.704 1.00 51.29 ? ? ? ? ? ? 165 ASP L CA 1 +ATOM 1251 C C . ASP A 1 166 ? 53.446 -3.693 12.757 1.00 48.93 ? ? ? ? ? ? 165 ASP L C 1 +ATOM 1252 O O . ASP A 1 166 ? 54.466 -3.004 12.784 1.00 50.61 ? ? ? ? ? ? 165 ASP L O 1 +ATOM 1253 C CB . ASP A 1 166 ? 51.476 -3.150 11.297 1.00 55.79 ? ? ? ? ? ? 165 ASP L CB 1 +ATOM 1254 C CG . ASP A 1 166 ? 49.958 -3.197 11.306 1.00 59.87 ? ? ? ? ? ? 165 ASP L CG 1 +ATOM 1255 O OD1 . ASP A 1 166 ? 49.396 -4.110 11.951 1.00 63.69 ? ? ? ? ? ? 165 ASP L OD1 1 +ATOM 1256 O OD2 . ASP A 1 166 ? 49.331 -2.322 10.667 1.00 61.35 ? ? ? ? ? ? 165 ASP L OD2 1 +ATOM 1257 N N . GLN A 1 167 ? 53.474 -5.019 12.785 1.00 45.40 ? ? ? ? ? ? 166 GLN L N 1 +ATOM 1258 C CA . GLN A 1 167 ? 54.733 -5.746 12.826 1.00 41.71 ? ? ? ? ? ? 166 GLN L CA 1 +ATOM 1259 C C . GLN A 1 167 ? 55.610 -5.261 11.689 1.00 41.96 ? ? ? ? ? ? 166 GLN L C 1 +ATOM 1260 O O . GLN A 1 167 ? 55.210 -5.317 10.526 1.00 42.67 ? ? ? ? ? ? 166 GLN L O 1 +ATOM 1261 C CB . GLN A 1 167 ? 54.486 -7.242 12.675 1.00 41.05 ? ? ? ? ? ? 166 GLN L CB 1 +ATOM 1262 C CG . GLN A 1 167 ? 55.731 -8.076 12.815 1.00 37.70 ? ? ? ? ? ? 166 GLN L CG 1 +ATOM 1263 C CD . GLN A 1 167 ? 55.434 -9.460 13.329 1.00 40.10 ? ? ? ? ? ? 166 GLN L CD 1 +ATOM 1264 O OE1 . GLN A 1 167 ? 54.596 -10.175 12.775 1.00 41.18 ? ? ? ? ? ? 166 GLN L OE1 1 +ATOM 1265 N NE2 . GLN A 1 167 ? 56.121 -9.852 14.396 1.00 38.90 ? ? ? ? ? ? 166 GLN L NE2 1 +ATOM 1266 N N . ASP A 1 168 ? 56.807 -4.790 12.025 1.00 42.56 ? ? ? ? ? ? 167 ASP L N 1 +ATOM 1267 C CA . ASP A 1 168 ? 57.727 -4.275 11.019 1.00 43.31 ? ? ? ? ? ? 167 ASP L CA 1 +ATOM 1268 C C . ASP A 1 168 ? 58.109 -5.297 9.953 1.00 46.07 ? ? ? ? ? ? 167 ASP L C 1 +ATOM 1269 O O . ASP A 1 168 ? 58.519 -6.418 10.252 1.00 46.32 ? ? ? ? ? ? 167 ASP L O 1 +ATOM 1270 C CB . ASP A 1 168 ? 58.988 -3.723 11.675 1.00 40.57 ? ? ? ? ? ? 167 ASP L CB 1 +ATOM 1271 C CG . ASP A 1 168 ? 59.891 -3.030 10.684 1.00 38.60 ? ? ? ? ? ? 167 ASP L CG 1 +ATOM 1272 O OD1 . ASP A 1 168 ? 59.510 -1.960 10.174 1.00 38.74 ? ? ? ? ? ? 167 ASP L OD1 1 +ATOM 1273 O OD2 . ASP A 1 168 ? 60.978 -3.561 10.408 1.00 38.36 ? ? ? ? ? ? 167 ASP L OD2 1 +ATOM 1274 N N . SER A 1 169 ? 57.968 -4.873 8.703 1.00 47.61 ? ? ? ? ? ? 168 SER L N 1 +ATOM 1275 C CA . SER A 1 169 ? 58.262 -5.682 7.534 1.00 49.41 ? ? ? ? ? ? 168 SER L CA 1 +ATOM 1276 C C . SER A 1 169 ? 59.693 -6.200 7.446 1.00 52.80 ? ? ? ? ? ? 168 SER L C 1 +ATOM 1277 O O . SER A 1 169 ? 59.927 -7.268 6.880 1.00 55.71 ? ? ? ? ? ? 168 SER L O 1 +ATOM 1278 C CB . SER A 1 169 ? 57.970 -4.871 6.279 1.00 49.92 ? ? ? ? ? ? 168 SER L CB 1 +ATOM 1279 O OG . SER A 1 169 ? 58.921 -3.828 6.151 1.00 47.61 ? ? ? ? ? ? 168 SER L OG 1 +ATOM 1280 N N . LYS A 1 170 ? 60.655 -5.451 7.978 1.00 54.30 ? ? ? ? ? ? 169 LYS L N 1 +ATOM 1281 C CA . LYS A 1 170 ? 62.042 -5.898 7.901 1.00 55.19 ? ? ? ? ? ? 169 LYS L CA 1 +ATOM 1282 C C . LYS A 1 170 ? 62.504 -6.742 9.084 1.00 51.30 ? ? ? ? ? ? 169 LYS L C 1 +ATOM 1283 O O . LYS A 1 170 ? 62.865 -7.904 8.909 1.00 51.46 ? ? ? ? ? ? 169 LYS L O 1 +ATOM 1284 C CB . LYS A 1 170 ? 62.992 -4.702 7.704 1.00 62.35 ? ? ? ? ? ? 169 LYS L CB 1 +ATOM 1285 C CG . LYS A 1 170 ? 62.662 -3.448 8.505 1.00 71.09 ? ? ? ? ? ? 169 LYS L CG 1 +ATOM 1286 C CD . LYS A 1 170 ? 62.802 -2.175 7.669 1.00 77.16 ? ? ? ? ? ? 169 LYS L CD 1 +ATOM 1287 C CE . LYS A 1 170 ? 61.897 -1.060 8.194 1.00 80.76 ? ? ? ? ? ? 169 LYS L CE 1 +ATOM 1288 N NZ . LYS A 1 170 ? 62.664 0.115 8.708 1.00 82.07 ? ? ? ? ? ? 169 LYS L NZ 1 +ATOM 1289 N N . ASP A 1 171 ? 62.480 -6.176 10.286 1.00 47.60 ? ? ? ? ? ? 170 ASP L N 1 +ATOM 1290 C CA . ASP A 1 171 ? 62.926 -6.911 11.465 1.00 44.44 ? ? ? ? ? ? 170 ASP L CA 1 +ATOM 1291 C C . ASP A 1 171 ? 61.811 -7.614 12.232 1.00 42.43 ? ? ? ? ? ? 170 ASP L C 1 +ATOM 1292 O O . ASP A 1 171 ? 62.069 -8.266 13.239 1.00 42.23 ? ? ? ? ? ? 170 ASP L O 1 +ATOM 1293 C CB . ASP A 1 171 ? 63.677 -5.973 12.407 1.00 44.05 ? ? ? ? ? ? 170 ASP L CB 1 +ATOM 1294 C CG . ASP A 1 171 ? 62.839 -4.802 12.838 1.00 44.59 ? ? ? ? ? ? 170 ASP L CG 1 +ATOM 1295 O OD1 . ASP A 1 171 ? 61.643 -5.009 13.110 1.00 46.87 ? ? ? ? ? ? 170 ASP L OD1 1 +ATOM 1296 O OD2 . ASP A 1 171 ? 63.369 -3.676 12.904 1.00 46.93 ? ? ? ? ? ? 170 ASP L OD2 1 +ATOM 1297 N N . SER A 1 172 ? 60.576 -7.473 11.761 1.00 40.78 ? ? ? ? ? ? 171 SER L N 1 +ATOM 1298 C CA . SER A 1 172 ? 59.424 -8.107 12.400 1.00 36.40 ? ? ? ? ? ? 171 SER L CA 1 +ATOM 1299 C C . SER A 1 172 ? 59.218 -7.691 13.857 1.00 36.49 ? ? ? ? ? ? 171 SER L C 1 +ATOM 1300 O O . SER A 1 172 ? 58.706 -8.459 14.669 1.00 33.18 ? ? ? ? ? ? 171 SER L O 1 +ATOM 1301 C CB . SER A 1 172 ? 59.556 -9.626 12.311 1.00 34.78 ? ? ? ? ? ? 171 SER L CB 1 +ATOM 1302 O OG . SER A 1 172 ? 59.738 -10.040 10.968 1.00 37.14 ? ? ? ? ? ? 171 SER L OG 1 +ATOM 1303 N N . THR A 1 173 ? 59.606 -6.463 14.179 1.00 36.66 ? ? ? ? ? ? 172 THR L N 1 +ATOM 1304 C CA . THR A 1 173 ? 59.463 -5.944 15.529 1.00 38.68 ? ? ? ? ? ? 172 THR L CA 1 +ATOM 1305 C C . THR A 1 173 ? 58.267 -5.005 15.613 1.00 40.43 ? ? ? ? ? ? 172 THR L C 1 +ATOM 1306 O O . THR A 1 173 ? 57.606 -4.751 14.611 1.00 41.53 ? ? ? ? ? ? 172 THR L O 1 +ATOM 1307 C CB . THR A 1 173 ? 60.719 -5.165 15.951 1.00 41.57 ? ? ? ? ? ? 172 THR L CB 1 +ATOM 1308 O OG1 . THR A 1 173 ? 60.889 -4.024 15.096 1.00 42.21 ? ? ? ? ? ? 172 THR L OG1 1 +ATOM 1309 C CG2 . THR A 1 173 ? 61.944 -6.056 15.861 1.00 40.71 ? ? ? ? ? ? 172 THR L CG2 1 +ATOM 1310 N N . TYR A 1 174 ? 57.990 -4.496 16.811 1.00 40.20 ? ? ? ? ? ? 173 TYR L N 1 +ATOM 1311 C CA . TYR A 1 174 ? 56.877 -3.570 17.011 1.00 39.35 ? ? ? ? ? ? 173 TYR L CA 1 +ATOM 1312 C C . TYR A 1 174 ? 57.424 -2.253 17.521 1.00 36.22 ? ? ? ? ? ? 173 TYR L C 1 +ATOM 1313 O O . TYR A 1 174 ? 58.589 -2.168 17.886 1.00 37.03 ? ? ? ? ? ? 173 TYR L O 1 +ATOM 1314 C CB . TYR A 1 174 ? 55.869 -4.137 18.022 1.00 38.07 ? ? ? ? ? ? 173 TYR L CB 1 +ATOM 1315 C CG . TYR A 1 174 ? 55.169 -5.371 17.517 1.00 39.69 ? ? ? ? ? ? 173 TYR L CG 1 +ATOM 1316 C CD1 . TYR A 1 174 ? 55.734 -6.628 17.702 1.00 40.01 ? ? ? ? ? ? 173 TYR L CD1 1 +ATOM 1317 C CD2 . TYR A 1 174 ? 53.985 -5.278 16.783 1.00 38.99 ? ? ? ? ? ? 173 TYR L CD2 1 +ATOM 1318 C CE1 . TYR A 1 174 ? 55.147 -7.764 17.163 1.00 42.58 ? ? ? ? ? ? 173 TYR L CE1 1 +ATOM 1319 C CE2 . TYR A 1 174 ? 53.388 -6.412 16.236 1.00 38.34 ? ? ? ? ? ? 173 TYR L CE2 1 +ATOM 1320 C CZ . TYR A 1 174 ? 53.979 -7.651 16.428 1.00 40.81 ? ? ? ? ? ? 173 TYR L CZ 1 +ATOM 1321 O OH . TYR A 1 174 ? 53.438 -8.785 15.865 1.00 42.03 ? ? ? ? ? ? 173 TYR L OH 1 +ATOM 1322 N N . SER A 1 175 ? 56.590 -1.224 17.524 1.00 33.83 ? ? ? ? ? ? 174 SER L N 1 +ATOM 1323 C CA . SER A 1 175 ? 57.001 0.083 18.023 1.00 32.04 ? ? ? ? ? ? 174 SER L CA 1 +ATOM 1324 C C . SER A 1 175 ? 55.771 0.772 18.570 1.00 31.35 ? ? ? ? ? ? 174 SER L C 1 +ATOM 1325 O O . SER A 1 175 ? 54.649 0.467 18.164 1.00 32.52 ? ? ? ? ? ? 174 SER L O 1 +ATOM 1326 C CB . SER A 1 175 ? 57.634 0.922 16.912 1.00 30.20 ? ? ? ? ? ? 174 SER L CB 1 +ATOM 1327 O OG . SER A 1 175 ? 58.832 0.317 16.449 1.00 30.45 ? ? ? ? ? ? 174 SER L OG 1 +ATOM 1328 N N . MET A 1 176 ? 55.974 1.689 19.505 1.00 32.65 ? ? ? ? ? ? 175 MET L N 1 +ATOM 1329 C CA . MET A 1 176 ? 54.856 2.394 20.106 1.00 31.91 ? ? ? ? ? ? 175 MET L CA 1 +ATOM 1330 C C . MET A 1 176 ? 55.228 3.829 20.408 1.00 28.29 ? ? ? ? ? ? 175 MET L C 1 +ATOM 1331 O O . MET A 1 176 ? 56.398 4.162 20.569 1.00 28.44 ? ? ? ? ? ? 175 MET L O 1 +ATOM 1332 C CB . MET A 1 176 ? 54.423 1.679 21.390 1.00 35.46 ? ? ? ? ? ? 175 MET L CB 1 +ATOM 1333 C CG . MET A 1 176 ? 53.364 2.408 22.196 1.00 39.32 ? ? ? ? ? ? 175 MET L CG 1 +ATOM 1334 S SD . MET A 1 176 ? 53.307 1.793 23.885 1.00 45.87 ? ? ? ? ? ? 175 MET L SD 1 +ATOM 1335 C CE . MET A 1 176 ? 51.835 2.585 24.481 1.00 41.48 ? ? ? ? ? ? 175 MET L CE 1 +ATOM 1336 N N . SER A 1 177 ? 54.214 4.679 20.468 1.00 31.15 ? ? ? ? ? ? 176 SER L N 1 +ATOM 1337 C CA . SER A 1 177 ? 54.408 6.085 20.758 1.00 33.02 ? ? ? ? ? ? 176 SER L CA 1 +ATOM 1338 C C . SER A 1 177 ? 53.362 6.536 21.765 1.00 35.28 ? ? ? ? ? ? 176 SER L C 1 +ATOM 1339 O O . SER A 1 177 ? 52.169 6.309 21.571 1.00 36.72 ? ? ? ? ? ? 176 SER L O 1 +ATOM 1340 C CB . SER A 1 177 ? 54.288 6.912 19.477 1.00 31.12 ? ? ? ? ? ? 176 SER L CB 1 +ATOM 1341 O OG . SER A 1 177 ? 53.420 8.013 19.660 1.00 33.49 ? ? ? ? ? ? 176 SER L OG 1 +ATOM 1342 N N . SER A 1 178 ? 53.818 7.160 22.847 1.00 36.72 ? ? ? ? ? ? 177 SER L N 1 +ATOM 1343 C CA . SER A 1 178 ? 52.918 7.658 23.883 1.00 37.42 ? ? ? ? ? ? 177 SER L CA 1 +ATOM 1344 C C . SER A 1 178 ? 53.064 9.165 23.978 1.00 36.07 ? ? ? ? ? ? 177 SER L C 1 +ATOM 1345 O O . SER A 1 178 ? 54.177 9.686 23.995 1.00 38.03 ? ? ? ? ? ? 177 SER L O 1 +ATOM 1346 C CB . SER A 1 178 ? 53.245 7.027 25.236 1.00 39.63 ? ? ? ? ? ? 177 SER L CB 1 +ATOM 1347 O OG . SER A 1 178 ? 52.243 7.347 26.183 1.00 39.53 ? ? ? ? ? ? 177 SER L OG 1 +ATOM 1348 N N . THR A 1 179 ? 51.937 9.860 24.057 1.00 36.91 ? ? ? ? ? ? 178 THR L N 1 +ATOM 1349 C CA . THR A 1 179 ? 51.941 11.310 24.112 1.00 36.59 ? ? ? ? ? ? 178 THR L CA 1 +ATOM 1350 C C . THR A 1 179 ? 51.106 11.886 25.247 1.00 37.80 ? ? ? ? ? ? 178 THR L C 1 +ATOM 1351 O O . THR A 1 179 ? 49.875 11.789 25.254 1.00 35.96 ? ? ? ? ? ? 178 THR L O 1 +ATOM 1352 C CB . THR A 1 179 ? 51.448 11.880 22.772 1.00 36.68 ? ? ? ? ? ? 178 THR L CB 1 +ATOM 1353 O OG1 . THR A 1 179 ? 52.288 11.382 21.723 1.00 37.26 ? ? ? ? ? ? 178 THR L OG1 1 +ATOM 1354 C CG2 . THR A 1 179 ? 51.475 13.403 22.776 1.00 33.59 ? ? ? ? ? ? 178 THR L CG2 1 +ATOM 1355 N N . LEU A 1 180 ? 51.801 12.494 26.204 1.00 40.50 ? ? ? ? ? ? 179 LEU L N 1 +ATOM 1356 C CA . LEU A 1 180 ? 51.175 13.111 27.364 1.00 41.93 ? ? ? ? ? ? 179 LEU L CA 1 +ATOM 1357 C C . LEU A 1 180 ? 50.923 14.562 26.996 1.00 44.95 ? ? ? ? ? ? 179 LEU L C 1 +ATOM 1358 O O . LEU A 1 180 ? 51.861 15.314 26.742 1.00 48.72 ? ? ? ? ? ? 179 LEU L O 1 +ATOM 1359 C CB . LEU A 1 180 ? 52.118 13.020 28.570 1.00 40.29 ? ? ? ? ? ? 179 LEU L CB 1 +ATOM 1360 C CG . LEU A 1 180 ? 51.840 13.909 29.789 1.00 40.23 ? ? ? ? ? ? 179 LEU L CG 1 +ATOM 1361 C CD1 . LEU A 1 180 ? 50.393 13.757 30.239 1.00 38.00 ? ? ? ? ? ? 179 LEU L CD1 1 +ATOM 1362 C CD2 . LEU A 1 180 ? 52.799 13.528 30.909 1.00 38.35 ? ? ? ? ? ? 179 LEU L CD2 1 +ATOM 1363 N N . THR A 1 181 ? 49.658 14.957 26.959 1.00 46.31 ? ? ? ? ? ? 180 THR L N 1 +ATOM 1364 C CA . THR A 1 181 ? 49.319 16.320 26.587 1.00 51.07 ? ? ? ? ? ? 180 THR L CA 1 +ATOM 1365 C C . THR A 1 181 ? 48.654 17.111 27.710 1.00 53.47 ? ? ? ? ? ? 180 THR L C 1 +ATOM 1366 O O . THR A 1 181 ? 47.486 16.889 28.033 1.00 54.47 ? ? ? ? ? ? 180 THR L O 1 +ATOM 1367 C CB . THR A 1 181 ? 48.386 16.339 25.341 1.00 52.29 ? ? ? ? ? ? 180 THR L CB 1 +ATOM 1368 O OG1 . THR A 1 181 ? 47.151 15.680 25.651 1.00 56.83 ? ? ? ? ? ? 180 THR L OG1 1 +ATOM 1369 C CG2 . THR A 1 181 ? 49.043 15.623 24.162 1.00 50.15 ? ? ? ? ? ? 180 THR L CG2 1 +ATOM 1370 N N . LEU A 1 182 ? 49.404 18.035 28.303 1.00 54.16 ? ? ? ? ? ? 181 LEU L N 1 +ATOM 1371 C CA . LEU A 1 182 ? 48.878 18.880 29.370 1.00 54.32 ? ? ? ? ? ? 181 LEU L CA 1 +ATOM 1372 C C . LEU A 1 182 ? 48.692 20.254 28.761 1.00 55.97 ? ? ? ? ? ? 181 LEU L C 1 +ATOM 1373 O O . LEU A 1 182 ? 48.926 20.437 27.570 1.00 57.00 ? ? ? ? ? ? 181 LEU L O 1 +ATOM 1374 C CB . LEU A 1 182 ? 49.873 18.967 30.525 1.00 52.43 ? ? ? ? ? ? 181 LEU L CB 1 +ATOM 1375 C CG . LEU A 1 182 ? 50.623 17.682 30.862 1.00 48.73 ? ? ? ? ? ? 181 LEU L CG 1 +ATOM 1376 C CD1 . LEU A 1 182 ? 52.051 17.986 31.276 1.00 45.22 ? ? ? ? ? ? 181 LEU L CD1 1 +ATOM 1377 C CD2 . LEU A 1 182 ? 49.877 16.976 31.968 1.00 49.99 ? ? ? ? ? ? 181 LEU L CD2 1 +ATOM 1378 N N . THR A 1 183 ? 48.280 21.224 29.565 1.00 58.71 ? ? ? ? ? ? 182 THR L N 1 +ATOM 1379 C CA . THR A 1 183 ? 48.104 22.571 29.044 1.00 61.29 ? ? ? ? ? ? 182 THR L CA 1 +ATOM 1380 C C . THR A 1 183 ? 49.387 23.377 29.194 1.00 62.99 ? ? ? ? ? ? 182 THR L C 1 +ATOM 1381 O O . THR A 1 183 ? 50.427 22.860 29.608 1.00 62.21 ? ? ? ? ? ? 182 THR L O 1 +ATOM 1382 C CB . THR A 1 183 ? 46.973 23.327 29.759 1.00 60.68 ? ? ? ? ? ? 182 THR L CB 1 +ATOM 1383 O OG1 . THR A 1 183 ? 47.407 23.709 31.069 1.00 62.90 ? ? ? ? ? ? 182 THR L OG1 1 +ATOM 1384 C CG2 . THR A 1 183 ? 45.734 22.459 29.862 1.00 62.11 ? ? ? ? ? ? 182 THR L CG2 1 +ATOM 1385 N N . LYS A 1 184 ? 49.296 24.654 28.848 1.00 66.39 ? ? ? ? ? ? 183 LYS L N 1 +ATOM 1386 C CA . LYS A 1 184 ? 50.423 25.570 28.916 1.00 68.28 ? ? ? ? ? ? 183 LYS L CA 1 +ATOM 1387 C C . LYS A 1 184 ? 51.080 25.535 30.285 1.00 67.74 ? ? ? ? ? ? 183 LYS L C 1 +ATOM 1388 O O . LYS A 1 184 ? 52.216 25.082 30.439 1.00 65.68 ? ? ? ? ? ? 183 LYS L O 1 +ATOM 1389 C CB . LYS A 1 184 ? 49.941 26.992 28.618 1.00 74.15 ? ? ? ? ? ? 183 LYS L CB 1 +ATOM 1390 C CG . LYS A 1 184 ? 48.480 27.069 28.158 1.00 81.22 ? ? ? ? ? ? 183 LYS L CG 1 +ATOM 1391 C CD . LYS A 1 184 ? 47.603 27.834 29.144 1.00 87.13 ? ? ? ? ? ? 183 LYS L CD 1 +ATOM 1392 C CE . LYS A 1 184 ? 46.275 27.120 29.386 1.00 89.26 ? ? ? ? ? ? 183 LYS L CE 1 +ATOM 1393 N NZ . LYS A 1 184 ? 45.285 27.989 30.090 1.00 93.28 ? ? ? ? ? ? 183 LYS L NZ 1 +ATOM 1394 N N . ASP A 1 185 ? 50.337 26.013 31.275 1.00 68.39 ? ? ? ? ? ? 184 ASP L N 1 +ATOM 1395 C CA . ASP A 1 185 ? 50.803 26.090 32.653 1.00 69.76 ? ? ? ? ? ? 184 ASP L CA 1 +ATOM 1396 C C . ASP A 1 185 ? 51.079 24.742 33.297 1.00 69.83 ? ? ? ? ? ? 184 ASP L C 1 +ATOM 1397 O O . ASP A 1 185 ? 52.182 24.502 33.799 1.00 69.20 ? ? ? ? ? ? 184 ASP L O 1 +ATOM 1398 C CB . ASP A 1 185 ? 49.781 26.860 33.485 1.00 69.88 ? ? ? ? ? ? 184 ASP L CB 1 +ATOM 1399 C CG . ASP A 1 185 ? 49.303 28.116 32.786 1.00 70.16 ? ? ? ? ? ? 184 ASP L CG 1 +ATOM 1400 O OD1 . ASP A 1 185 ? 50.160 28.930 32.367 1.00 68.86 ? ? ? ? ? ? 184 ASP L OD1 1 +ATOM 1401 O OD2 . ASP A 1 185 ? 48.074 28.285 32.649 1.00 70.57 ? ? ? ? ? ? 184 ASP L OD2 1 +ATOM 1402 N N . GLU A 1 186 ? 50.070 23.874 33.285 1.00 68.59 ? ? ? ? ? ? 185 GLU L N 1 +ATOM 1403 C CA . GLU A 1 186 ? 50.177 22.540 33.862 1.00 67.32 ? ? ? ? ? ? 185 GLU L CA 1 +ATOM 1404 C C . GLU A 1 186 ? 51.559 21.925 33.671 1.00 64.79 ? ? ? ? ? ? 185 GLU L C 1 +ATOM 1405 O O . GLU A 1 186 ? 52.075 21.256 34.566 1.00 64.66 ? ? ? ? ? ? 185 GLU L O 1 +ATOM 1406 C CB . GLU A 1 186 ? 49.144 21.608 33.228 1.00 70.35 ? ? ? ? ? ? 185 GLU L CB 1 +ATOM 1407 C CG . GLU A 1 186 ? 47.698 22.036 33.409 1.00 74.80 ? ? ? ? ? ? 185 GLU L CG 1 +ATOM 1408 C CD . GLU A 1 186 ? 46.729 20.884 33.192 1.00 76.12 ? ? ? ? ? ? 185 GLU L CD 1 +ATOM 1409 O OE1 . GLU A 1 186 ? 46.872 19.856 33.886 1.00 76.62 ? ? ? ? ? ? 185 GLU L OE1 1 +ATOM 1410 O OE2 . GLU A 1 186 ? 45.830 21.001 32.331 1.00 74.40 ? ? ? ? ? ? 185 GLU L OE2 1 +ATOM 1411 N N . TYR A 1 187 ? 52.149 22.159 32.502 1.00 61.55 ? ? ? ? ? ? 186 TYR L N 1 +ATOM 1412 C CA . TYR A 1 187 ? 53.456 21.606 32.167 1.00 57.33 ? ? ? ? ? ? 186 TYR L CA 1 +ATOM 1413 C C . TYR A 1 187 ? 54.677 22.240 32.840 1.00 58.81 ? ? ? ? ? ? 186 TYR L C 1 +ATOM 1414 O O . TYR A 1 187 ? 55.573 21.535 33.308 1.00 58.02 ? ? ? ? ? ? 186 TYR L O 1 +ATOM 1415 C CB . TYR A 1 187 ? 53.670 21.651 30.661 1.00 50.64 ? ? ? ? ? ? 186 TYR L CB 1 +ATOM 1416 C CG . TYR A 1 187 ? 55.100 21.371 30.317 1.00 46.07 ? ? ? ? ? ? 186 TYR L CG 1 +ATOM 1417 C CD1 . TYR A 1 187 ? 55.582 20.068 30.303 1.00 46.13 ? ? ? ? ? ? 186 TYR L CD1 1 +ATOM 1418 C CD2 . TYR A 1 187 ? 55.997 22.409 30.081 1.00 45.09 ? ? ? ? ? ? 186 TYR L CD2 1 +ATOM 1419 C CE1 . TYR A 1 187 ? 56.921 19.801 30.066 1.00 44.75 ? ? ? ? ? ? 186 TYR L CE1 1 +ATOM 1420 C CE2 . TYR A 1 187 ? 57.340 22.151 29.843 1.00 43.72 ? ? ? ? ? ? 186 TYR L CE2 1 +ATOM 1421 C CZ . TYR A 1 187 ? 57.792 20.844 29.839 1.00 43.39 ? ? ? ? ? ? 186 TYR L CZ 1 +ATOM 1422 O OH . TYR A 1 187 ? 59.114 20.571 29.599 1.00 48.91 ? ? ? ? ? ? 186 TYR L OH 1 +ATOM 1423 N N . GLU A 1 188 ? 54.740 23.565 32.844 1.00 60.23 ? ? ? ? ? ? 187 GLU L N 1 +ATOM 1424 C CA . GLU A 1 188 ? 55.867 24.255 33.459 1.00 59.15 ? ? ? ? ? ? 187 GLU L CA 1 +ATOM 1425 C C . GLU A 1 188 ? 55.653 24.298 34.967 1.00 60.55 ? ? ? ? ? ? 187 GLU L C 1 +ATOM 1426 O O . GLU A 1 188 ? 56.604 24.471 35.731 1.00 58.90 ? ? ? ? ? ? 187 GLU L O 1 +ATOM 1427 C CB . GLU A 1 188 ? 55.981 25.673 32.906 1.00 58.07 ? ? ? ? ? ? 187 GLU L CB 1 +ATOM 1428 C CG . GLU A 1 188 ? 54.643 26.309 32.572 1.00 56.22 ? ? ? ? ? ? 187 GLU L CG 1 +ATOM 1429 C CD . GLU A 1 188 ? 54.786 27.474 31.621 1.00 56.31 ? ? ? ? ? ? 187 GLU L CD 1 +ATOM 1430 O OE1 . GLU A 1 188 ? 55.720 27.443 30.793 1.00 56.51 ? ? ? ? ? ? 187 GLU L OE1 1 +ATOM 1431 O OE2 . GLU A 1 188 ? 53.969 28.419 31.703 1.00 56.03 ? ? ? ? ? ? 187 GLU L OE2 1 +ATOM 1432 N N . ARG A 1 189 ? 54.393 24.133 35.376 1.00 60.43 ? ? ? ? ? ? 188 ARG L N 1 +ATOM 1433 C CA . ARG A 1 189 ? 54.002 24.132 36.785 1.00 59.16 ? ? ? ? ? ? 188 ARG L CA 1 +ATOM 1434 C C . ARG A 1 189 ? 54.529 22.888 37.512 1.00 58.73 ? ? ? ? ? ? 188 ARG L C 1 +ATOM 1435 O O . ARG A 1 189 ? 54.351 22.737 38.720 1.00 61.39 ? ? ? ? ? ? 188 ARG L O 1 +ATOM 1436 C CB . ARG A 1 189 ? 52.478 24.201 36.905 1.00 57.24 ? ? ? ? ? ? 188 ARG L CB 1 +ATOM 1437 C CG . ARG A 1 189 ? 51.950 23.885 38.285 1.00 59.00 ? ? ? ? ? ? 188 ARG L CG 1 +ATOM 1438 C CD . ARG A 1 189 ? 50.682 24.642 38.569 1.00 65.37 ? ? ? ? ? ? 188 ARG L CD 1 +ATOM 1439 N NE . ARG A 1 189 ? 49.500 23.802 38.435 1.00 72.15 ? ? ? ? ? ? 188 ARG L NE 1 +ATOM 1440 C CZ . ARG A 1 189 ? 48.342 24.227 37.941 1.00 78.13 ? ? ? ? ? ? 188 ARG L CZ 1 +ATOM 1441 N NH1 . ARG A 1 189 ? 48.215 25.484 37.532 1.00 80.20 ? ? ? ? ? ? 188 ARG L NH1 1 +ATOM 1442 N NH2 . ARG A 1 189 ? 47.311 23.397 37.856 1.00 81.80 ? ? ? ? ? ? 188 ARG L NH2 1 +ATOM 1443 N N . HIS A 1 190 ? 55.169 22.000 36.760 1.00 57.45 ? ? ? ? ? ? 189 HIS L N 1 +ATOM 1444 C CA . HIS A 1 190 ? 55.768 20.776 37.294 1.00 58.92 ? ? ? ? ? ? 189 HIS L CA 1 +ATOM 1445 C C . HIS A 1 190 ? 57.157 20.776 36.657 1.00 59.86 ? ? ? ? ? ? 189 HIS L C 1 +ATOM 1446 O O . HIS A 1 190 ? 57.435 21.616 35.802 1.00 63.90 ? ? ? ? ? ? 189 HIS L O 1 +ATOM 1447 C CB . HIS A 1 190 ? 54.987 19.522 36.843 1.00 58.81 ? ? ? ? ? ? 189 HIS L CB 1 +ATOM 1448 C CG . HIS A 1 190 ? 53.600 19.418 37.409 1.00 57.03 ? ? ? ? ? ? 189 HIS L CG 1 +ATOM 1449 N ND1 . HIS A 1 190 ? 52.470 19.711 36.673 1.00 58.55 ? ? ? ? ? ? 189 HIS L ND1 1 +ATOM 1450 C CD2 . HIS A 1 190 ? 53.159 19.027 38.629 1.00 57.93 ? ? ? ? ? ? 189 HIS L CD2 1 +ATOM 1451 C CE1 . HIS A 1 190 ? 51.395 19.507 37.414 1.00 57.73 ? ? ? ? ? ? 189 HIS L CE1 1 +ATOM 1452 N NE2 . HIS A 1 190 ? 51.786 19.091 38.606 1.00 58.76 ? ? ? ? ? ? 189 HIS L NE2 1 +ATOM 1453 N N . ASN A 1 191 ? 58.036 19.863 37.051 1.00 59.51 ? ? ? ? ? ? 190 ASN L N 1 +ATOM 1454 C CA . ASN A 1 191 ? 59.361 19.852 36.440 1.00 63.52 ? ? ? ? ? ? 190 ASN L CA 1 +ATOM 1455 C C . ASN A 1 191 ? 59.971 18.462 36.341 1.00 62.97 ? ? ? ? ? ? 190 ASN L C 1 +ATOM 1456 O O . ASN A 1 191 ? 61.089 18.301 35.848 1.00 63.36 ? ? ? ? ? ? 190 ASN L O 1 +ATOM 1457 C CB . ASN A 1 191 ? 60.316 20.803 37.186 1.00 69.20 ? ? ? ? ? ? 190 ASN L CB 1 +ATOM 1458 C CG . ASN A 1 191 ? 60.316 20.586 38.691 1.00 72.90 ? ? ? ? ? ? 190 ASN L CG 1 +ATOM 1459 O OD1 . ASN A 1 191 ? 59.272 20.655 39.342 1.00 74.50 ? ? ? ? ? ? 190 ASN L OD1 1 +ATOM 1460 N ND2 . ASN A 1 191 ? 61.494 20.325 39.251 1.00 74.52 ? ? ? ? ? ? 190 ASN L ND2 1 +ATOM 1461 N N . SER A 1 192 ? 59.235 17.460 36.811 1.00 62.54 ? ? ? ? ? ? 191 SER L N 1 +ATOM 1462 C CA . SER A 1 192 ? 59.695 16.075 36.743 1.00 60.82 ? ? ? ? ? ? 191 SER L CA 1 +ATOM 1463 C C . SER A 1 192 ? 58.775 15.320 35.789 1.00 58.84 ? ? ? ? ? ? 191 SER L C 1 +ATOM 1464 O O . SER A 1 192 ? 57.616 15.047 36.121 1.00 55.49 ? ? ? ? ? ? 191 SER L O 1 +ATOM 1465 C CB . SER A 1 192 ? 59.654 15.412 38.126 1.00 61.17 ? ? ? ? ? ? 191 SER L CB 1 +ATOM 1466 O OG . SER A 1 192 ? 59.959 16.335 39.155 1.00 60.26 ? ? ? ? ? ? 191 SER L OG 1 +ATOM 1467 N N . TYR A 1 193 ? 59.292 15.003 34.600 1.00 57.01 ? ? ? ? ? ? 192 TYR L N 1 +ATOM 1468 C CA . TYR A 1 193 ? 58.524 14.278 33.586 1.00 53.81 ? ? ? ? ? ? 192 TYR L CA 1 +ATOM 1469 C C . TYR A 1 193 ? 59.223 12.972 33.207 1.00 54.05 ? ? ? ? ? ? 192 TYR L C 1 +ATOM 1470 O O . TYR A 1 193 ? 60.335 12.975 32.675 1.00 51.60 ? ? ? ? ? ? 192 TYR L O 1 +ATOM 1471 C CB . TYR A 1 193 ? 58.301 15.164 32.346 1.00 47.93 ? ? ? ? ? ? 192 TYR L CB 1 +ATOM 1472 C CG . TYR A 1 193 ? 57.243 16.232 32.568 1.00 41.30 ? ? ? ? ? ? 192 TYR L CG 1 +ATOM 1473 C CD1 . TYR A 1 193 ? 55.886 15.925 32.481 1.00 38.47 ? ? ? ? ? ? 192 TYR L CD1 1 +ATOM 1474 C CD2 . TYR A 1 193 ? 57.598 17.525 32.959 1.00 36.99 ? ? ? ? ? ? 192 TYR L CD2 1 +ATOM 1475 C CE1 . TYR A 1 193 ? 54.910 16.874 32.792 1.00 37.29 ? ? ? ? ? ? 192 TYR L CE1 1 +ATOM 1476 C CE2 . TYR A 1 193 ? 56.629 18.477 33.272 1.00 30.23 ? ? ? ? ? ? 192 TYR L CE2 1 +ATOM 1477 C CZ . TYR A 1 193 ? 55.292 18.144 33.193 1.00 33.95 ? ? ? ? ? ? 192 TYR L CZ 1 +ATOM 1478 O OH . TYR A 1 193 ? 54.335 19.065 33.559 1.00 36.75 ? ? ? ? ? ? 192 TYR L OH 1 +ATOM 1479 N N . THR A 1 194 ? 58.549 11.858 33.491 1.00 56.59 ? ? ? ? ? ? 193 THR L N 1 +ATOM 1480 C CA . THR A 1 194 ? 59.083 10.523 33.227 1.00 58.20 ? ? ? ? ? ? 193 THR L CA 1 +ATOM 1481 C C . THR A 1 194 ? 58.208 9.612 32.355 1.00 55.53 ? ? ? ? ? ? 193 THR L C 1 +ATOM 1482 O O . THR A 1 194 ? 56.975 9.658 32.402 1.00 54.42 ? ? ? ? ? ? 193 THR L O 1 +ATOM 1483 C CB . THR A 1 194 ? 59.350 9.779 34.555 1.00 60.83 ? ? ? ? ? ? 193 THR L CB 1 +ATOM 1484 O OG1 . THR A 1 194 ? 59.807 10.711 35.544 1.00 63.78 ? ? ? ? ? ? 193 THR L OG1 1 +ATOM 1485 C CG2 . THR A 1 194 ? 60.394 8.690 34.355 1.00 60.56 ? ? ? ? ? ? 193 THR L CG2 1 +ATOM 1486 N N . CYS A 1 195 ? 58.877 8.778 31.567 1.00 52.61 ? ? ? ? ? ? 194 CYS L N 1 +ATOM 1487 C CA . CYS A 1 195 ? 58.223 7.817 30.693 1.00 52.18 ? ? ? ? ? ? 194 CYS L CA 1 +ATOM 1488 C C . CYS A 1 195 ? 58.778 6.472 31.145 1.00 50.72 ? ? ? ? ? ? 194 CYS L C 1 +ATOM 1489 O O . CYS A 1 195 ? 59.978 6.208 31.029 1.00 46.05 ? ? ? ? ? ? 194 CYS L O 1 +ATOM 1490 C CB . CYS A 1 195 ? 58.586 8.092 29.215 1.00 54.95 ? ? ? ? ? ? 194 CYS L CB 1 +ATOM 1491 S SG . CYS A 1 195 ? 58.131 6.790 28.007 1.00 58.85 ? ? ? ? ? ? 194 CYS L SG 1 +ATOM 1492 N N . GLU A 1 196 ? 57.920 5.625 31.692 1.00 51.90 ? ? ? ? ? ? 195 GLU L N 1 +ATOM 1493 C CA . GLU A 1 196 ? 58.400 4.331 32.134 1.00 58.07 ? ? ? ? ? ? 195 GLU L CA 1 +ATOM 1494 C C . GLU A 1 196 ? 57.811 3.184 31.341 1.00 56.43 ? ? ? ? ? ? 195 GLU L C 1 +ATOM 1495 O O . GLU A 1 196 ? 56.590 2.986 31.299 1.00 55.78 ? ? ? ? ? ? 195 GLU L O 1 +ATOM 1496 C CB . GLU A 1 196 ? 58.123 4.119 33.619 1.00 65.85 ? ? ? ? ? ? 195 GLU L CB 1 +ATOM 1497 C CG . GLU A 1 196 ? 58.880 2.924 34.180 1.00 74.47 ? ? ? ? ? ? 195 GLU L CG 1 +ATOM 1498 C CD . GLU A 1 196 ? 59.188 3.068 35.650 1.00 80.43 ? ? ? ? ? ? 195 GLU L CD 1 +ATOM 1499 O OE1 . GLU A 1 196 ? 59.327 4.221 36.117 1.00 82.24 ? ? ? ? ? ? 195 GLU L OE1 1 +ATOM 1500 O OE2 . GLU A 1 196 ? 59.292 2.023 36.334 1.00 84.91 ? ? ? ? ? ? 195 GLU L OE2 1 +ATOM 1501 N N . ALA A 1 197 ? 58.701 2.419 30.727 1.00 54.65 ? ? ? ? ? ? 196 ALA L N 1 +ATOM 1502 C CA . ALA A 1 197 ? 58.298 1.287 29.918 1.00 55.88 ? ? ? ? ? ? 196 ALA L CA 1 +ATOM 1503 C C . ALA A 1 197 ? 58.718 -0.040 30.534 1.00 56.15 ? ? ? ? ? ? 196 ALA L C 1 +ATOM 1504 O O . ALA A 1 197 ? 59.907 -0.294 30.747 1.00 55.56 ? ? ? ? ? ? 196 ALA L O 1 +ATOM 1505 C CB . ALA A 1 197 ? 58.892 1.417 28.518 1.00 54.85 ? ? ? ? ? ? 196 ALA L CB 1 +ATOM 1506 N N . THR A 1 198 ? 57.735 -0.887 30.818 1.00 56.21 ? ? ? ? ? ? 197 THR L N 1 +ATOM 1507 C CA . THR A 1 198 ? 58.019 -2.200 31.376 1.00 55.83 ? ? ? ? ? ? 197 THR L CA 1 +ATOM 1508 C C . THR A 1 198 ? 57.731 -3.239 30.298 1.00 53.13 ? ? ? ? ? ? 197 THR L C 1 +ATOM 1509 O O . THR A 1 198 ? 56.591 -3.401 29.856 1.00 50.77 ? ? ? ? ? ? 197 THR L O 1 +ATOM 1510 C CB . THR A 1 198 ? 57.167 -2.473 32.624 1.00 57.97 ? ? ? ? ? ? 197 THR L CB 1 +ATOM 1511 O OG1 . THR A 1 198 ? 56.789 -1.223 33.225 1.00 59.02 ? ? ? ? ? ? 197 THR L OG1 1 +ATOM 1512 C CG2 . THR A 1 198 ? 57.964 -3.305 33.633 1.00 56.93 ? ? ? ? ? ? 197 THR L CG2 1 +ATOM 1513 N N . HIS A 1 199 ? 58.786 -3.921 29.868 1.00 52.29 ? ? ? ? ? ? 198 HIS L N 1 +ATOM 1514 C CA . HIS A 1 199 ? 58.696 -4.931 28.823 1.00 55.22 ? ? ? ? ? ? 198 HIS L CA 1 +ATOM 1515 C C . HIS A 1 199 ? 59.265 -6.245 29.336 1.00 56.95 ? ? ? ? ? ? 198 HIS L C 1 +ATOM 1516 O O . HIS A 1 199 ? 60.226 -6.256 30.107 1.00 56.61 ? ? ? ? ? ? 198 HIS L O 1 +ATOM 1517 C CB . HIS A 1 199 ? 59.480 -4.467 27.584 1.00 54.25 ? ? ? ? ? ? 198 HIS L CB 1 +ATOM 1518 C CG . HIS A 1 199 ? 59.154 -5.223 26.331 1.00 54.16 ? ? ? ? ? ? 198 HIS L CG 1 +ATOM 1519 N ND1 . HIS A 1 199 ? 60.069 -6.031 25.688 1.00 53.93 ? ? ? ? ? ? 198 HIS L ND1 1 +ATOM 1520 C CD2 . HIS A 1 199 ? 58.018 -5.284 25.594 1.00 52.40 ? ? ? ? ? ? 198 HIS L CD2 1 +ATOM 1521 C CE1 . HIS A 1 199 ? 59.512 -6.558 24.612 1.00 49.70 ? ? ? ? ? ? 198 HIS L CE1 1 +ATOM 1522 N NE2 . HIS A 1 199 ? 58.267 -6.121 24.532 1.00 52.46 ? ? ? ? ? ? 198 HIS L NE2 1 +ATOM 1523 N N . LYS A 1 200 ? 58.669 -7.346 28.892 1.00 59.64 ? ? ? ? ? ? 199 LYS L N 1 +ATOM 1524 C CA . LYS A 1 200 ? 59.082 -8.682 29.301 1.00 62.91 ? ? ? ? ? ? 199 LYS L CA 1 +ATOM 1525 C C . LYS A 1 200 ? 60.549 -9.020 29.026 1.00 63.47 ? ? ? ? ? ? 199 LYS L C 1 +ATOM 1526 O O . LYS A 1 200 ? 61.050 -10.037 29.511 1.00 65.14 ? ? ? ? ? ? 199 LYS L O 1 +ATOM 1527 C CB . LYS A 1 200 ? 58.170 -9.732 28.641 1.00 64.41 ? ? ? ? ? ? 199 LYS L CB 1 +ATOM 1528 C CG . LYS A 1 200 ? 58.736 -10.390 27.385 1.00 63.44 ? ? ? ? ? ? 199 LYS L CG 1 +ATOM 1529 C CD . LYS A 1 200 ? 59.262 -11.793 27.674 1.00 63.08 ? ? ? ? ? ? 199 LYS L CD 1 +ATOM 1530 C CE . LYS A 1 200 ? 58.286 -12.862 27.203 1.00 64.95 ? ? ? ? ? ? 199 LYS L CE 1 +ATOM 1531 N NZ . LYS A 1 200 ? 58.840 -13.663 26.078 1.00 66.49 ? ? ? ? ? ? 199 LYS L NZ 1 +ATOM 1532 N N . THR A 1 201 ? 61.241 -8.178 28.260 1.00 63.08 ? ? ? ? ? ? 200 THR L N 1 +ATOM 1533 C CA . THR A 1 201 ? 62.645 -8.439 27.941 1.00 63.51 ? ? ? ? ? ? 200 THR L CA 1 +ATOM 1534 C C . THR A 1 201 ? 63.553 -8.238 29.147 1.00 64.72 ? ? ? ? ? ? 200 THR L C 1 +ATOM 1535 O O . THR A 1 201 ? 64.713 -8.665 29.143 1.00 65.56 ? ? ? ? ? ? 200 THR L O 1 +ATOM 1536 C CB . THR A 1 201 ? 63.158 -7.535 26.800 1.00 63.17 ? ? ? ? ? ? 200 THR L CB 1 +ATOM 1537 O OG1 . THR A 1 201 ? 62.796 -6.175 27.062 1.00 65.12 ? ? ? ? ? ? 200 THR L OG1 1 +ATOM 1538 C CG2 . THR A 1 201 ? 62.570 -7.966 25.477 1.00 64.07 ? ? ? ? ? ? 200 THR L CG2 1 +ATOM 1539 N N . SER A 1 202 ? 63.032 -7.580 30.178 1.00 63.94 ? ? ? ? ? ? 201 SER L N 1 +ATOM 1540 C CA . SER A 1 202 ? 63.812 -7.344 31.382 1.00 63.03 ? ? ? ? ? ? 201 SER L CA 1 +ATOM 1541 C C . SER A 1 202 ? 62.943 -6.979 32.568 1.00 63.83 ? ? ? ? ? ? 201 SER L C 1 +ATOM 1542 O O . SER A 1 202 ? 61.988 -6.206 32.451 1.00 63.02 ? ? ? ? ? ? 201 SER L O 1 +ATOM 1543 C CB . SER A 1 202 ? 64.844 -6.238 31.150 1.00 61.40 ? ? ? ? ? ? 201 SER L CB 1 +ATOM 1544 O OG . SER A 1 202 ? 65.723 -6.153 32.254 1.00 61.33 ? ? ? ? ? ? 201 SER L OG 1 +ATOM 1545 N N . THR A 1 203 ? 63.292 -7.555 33.714 1.00 66.67 ? ? ? ? ? ? 202 THR L N 1 +ATOM 1546 C CA . THR A 1 203 ? 62.583 -7.311 34.963 1.00 66.73 ? ? ? ? ? ? 202 THR L CA 1 +ATOM 1547 C C . THR A 1 203 ? 62.691 -5.825 35.289 1.00 66.79 ? ? ? ? ? ? 202 THR L C 1 +ATOM 1548 O O . THR A 1 203 ? 61.694 -5.153 35.574 1.00 65.37 ? ? ? ? ? ? 202 THR L O 1 +ATOM 1549 C CB . THR A 1 203 ? 63.212 -8.131 36.117 1.00 66.19 ? ? ? ? ? ? 202 THR L CB 1 +ATOM 1550 O OG1 . THR A 1 203 ? 62.788 -7.594 37.377 1.00 66.46 ? ? ? ? ? ? 202 THR L OG1 1 +ATOM 1551 C CG2 . THR A 1 203 ? 64.736 -8.086 36.036 1.00 63.10 ? ? ? ? ? ? 202 THR L CG2 1 +ATOM 1552 N N . SER A 1 204 ? 63.920 -5.323 35.234 1.00 66.87 ? ? ? ? ? ? 203 SER L N 1 +ATOM 1553 C CA . SER A 1 204 ? 64.186 -3.925 35.516 1.00 65.34 ? ? ? ? ? ? 203 SER L CA 1 +ATOM 1554 C C . SER A 1 204 ? 63.608 -3.053 34.411 1.00 62.64 ? ? ? ? ? ? 203 SER L C 1 +ATOM 1555 O O . SER A 1 204 ? 63.972 -3.188 33.237 1.00 62.23 ? ? ? ? ? ? 203 SER L O 1 +ATOM 1556 C CB . SER A 1 204 ? 65.700 -3.683 35.645 1.00 66.48 ? ? ? ? ? ? 203 SER L CB 1 +ATOM 1557 O OG . SER A 1 204 ? 66.456 -4.809 35.224 1.00 65.62 ? ? ? ? ? ? 203 SER L OG 1 +ATOM 1558 N N . PRO A 1 205 ? 62.686 -2.151 34.776 1.00 60.30 ? ? ? ? ? ? 204 PRO L N 1 +ATOM 1559 C CA . PRO A 1 205 ? 62.048 -1.247 33.816 1.00 60.53 ? ? ? ? ? ? 204 PRO L CA 1 +ATOM 1560 C C . PRO A 1 205 ? 63.048 -0.307 33.140 1.00 61.29 ? ? ? ? ? ? 204 PRO L C 1 +ATOM 1561 O O . PRO A 1 205 ? 64.179 -0.139 33.604 1.00 61.54 ? ? ? ? ? ? 204 PRO L O 1 +ATOM 1562 C CB . PRO A 1 205 ? 61.022 -0.476 34.660 1.00 59.36 ? ? ? ? ? ? 204 PRO L CB 1 +ATOM 1563 C CG . PRO A 1 205 ? 60.889 -1.237 35.931 1.00 57.72 ? ? ? ? ? ? 204 PRO L CG 1 +ATOM 1564 C CD . PRO A 1 205 ? 62.193 -1.937 36.146 1.00 59.43 ? ? ? ? ? ? 204 PRO L CD 1 +ATOM 1565 N N . ILE A 1 206 ? 62.624 0.290 32.030 1.00 62.11 ? ? ? ? ? ? 205 ILE L N 1 +ATOM 1566 C CA . ILE A 1 206 ? 63.460 1.236 31.305 1.00 60.92 ? ? ? ? ? ? 205 ILE L CA 1 +ATOM 1567 C C . ILE A 1 206 ? 62.837 2.600 31.537 1.00 60.21 ? ? ? ? ? ? 205 ILE L C 1 +ATOM 1568 O O . ILE A 1 206 ? 61.654 2.815 31.261 1.00 58.61 ? ? ? ? ? ? 205 ILE L O 1 +ATOM 1569 C CB . ILE A 1 206 ? 63.505 0.940 29.793 1.00 59.84 ? ? ? ? ? ? 205 ILE L CB 1 +ATOM 1570 C CG1 . ILE A 1 206 ? 64.434 -0.246 29.518 1.00 59.54 ? ? ? ? ? ? 205 ILE L CG1 1 +ATOM 1571 C CG2 . ILE A 1 206 ? 64.024 2.154 29.048 1.00 62.82 ? ? ? ? ? ? 205 ILE L CG2 1 +ATOM 1572 C CD1 . ILE A 1 206 ? 64.673 -0.517 28.047 1.00 52.57 ? ? ? ? ? ? 205 ILE L CD1 1 +ATOM 1573 N N . VAL A 1 207 ? 63.640 3.519 32.057 1.00 61.98 ? ? ? ? ? ? 206 VAL L N 1 +ATOM 1574 C CA . VAL A 1 207 ? 63.149 4.851 32.362 1.00 62.18 ? ? ? ? ? ? 206 VAL L CA 1 +ATOM 1575 C C . VAL A 1 207 ? 63.863 5.967 31.618 1.00 60.95 ? ? ? ? ? ? 206 VAL L C 1 +ATOM 1576 O O . VAL A 1 207 ? 65.055 5.871 31.299 1.00 59.47 ? ? ? ? ? ? 206 VAL L O 1 +ATOM 1577 C CB . VAL A 1 207 ? 63.250 5.125 33.874 1.00 62.53 ? ? ? ? ? ? 206 VAL L CB 1 +ATOM 1578 C CG1 . VAL A 1 207 ? 62.769 6.520 34.183 1.00 65.80 ? ? ? ? ? ? 206 VAL L CG1 1 +ATOM 1579 C CG2 . VAL A 1 207 ? 62.415 4.116 34.636 1.00 66.81 ? ? ? ? ? ? 206 VAL L CG2 1 +ATOM 1580 N N . LYS A 1 208 ? 63.104 7.027 31.352 1.00 59.36 ? ? ? ? ? ? 207 LYS L N 1 +ATOM 1581 C CA . LYS A 1 208 ? 63.599 8.212 30.666 1.00 57.35 ? ? ? ? ? ? 207 LYS L CA 1 +ATOM 1582 C C . LYS A 1 208 ? 62.836 9.429 31.183 1.00 57.74 ? ? ? ? ? ? 207 LYS L C 1 +ATOM 1583 O O . LYS A 1 208 ? 61.614 9.384 31.343 1.00 54.85 ? ? ? ? ? ? 207 LYS L O 1 +ATOM 1584 C CB . LYS A 1 208 ? 63.398 8.076 29.158 1.00 55.32 ? ? ? ? ? ? 207 LYS L CB 1 +ATOM 1585 C CG . LYS A 1 208 ? 64.148 6.910 28.538 1.00 51.41 ? ? ? ? ? ? 207 LYS L CG 1 +ATOM 1586 C CD . LYS A 1 208 ? 65.587 7.266 28.245 1.00 44.98 ? ? ? ? ? ? 207 LYS L CD 1 +ATOM 1587 C CE . LYS A 1 208 ? 66.489 6.079 28.480 1.00 45.59 ? ? ? ? ? ? 207 LYS L CE 1 +ATOM 1588 N NZ . LYS A 1 208 ? 67.261 5.721 27.261 1.00 46.11 ? ? ? ? ? ? 207 LYS L NZ 1 +ATOM 1589 N N . SER A 1 209 ? 63.562 10.513 31.445 1.00 60.80 ? ? ? ? ? ? 208 SER L N 1 +ATOM 1590 C CA . SER A 1 209 ? 62.949 11.735 31.952 1.00 61.93 ? ? ? ? ? ? 208 SER L CA 1 +ATOM 1591 C C . SER A 1 209 ? 63.796 12.986 31.707 1.00 62.05 ? ? ? ? ? ? 208 SER L C 1 +ATOM 1592 O O . SER A 1 209 ? 64.901 12.914 31.164 1.00 58.57 ? ? ? ? ? ? 208 SER L O 1 +ATOM 1593 C CB . SER A 1 209 ? 62.676 11.588 33.449 1.00 62.48 ? ? ? ? ? ? 208 SER L CB 1 +ATOM 1594 O OG . SER A 1 209 ? 63.602 10.692 34.038 1.00 64.16 ? ? ? ? ? ? 208 SER L OG 1 +ATOM 1595 N N . PHE A 1 210 ? 63.250 14.132 32.111 1.00 63.11 ? ? ? ? ? ? 209 PHE L N 1 +ATOM 1596 C CA . PHE A 1 210 ? 63.911 15.424 31.963 1.00 64.75 ? ? ? ? ? ? 209 PHE L CA 1 +ATOM 1597 C C . PHE A 1 210 ? 63.326 16.385 32.997 1.00 66.74 ? ? ? ? ? ? 209 PHE L C 1 +ATOM 1598 O O . PHE A 1 210 ? 62.275 16.106 33.575 1.00 65.36 ? ? ? ? ? ? 209 PHE L O 1 +ATOM 1599 C CB . PHE A 1 210 ? 63.684 15.971 30.550 1.00 64.74 ? ? ? ? ? ? 209 PHE L CB 1 +ATOM 1600 C CG . PHE A 1 210 ? 62.244 16.299 30.244 1.00 62.92 ? ? ? ? ? ? 209 PHE L CG 1 +ATOM 1601 C CD1 . PHE A 1 210 ? 61.692 17.518 30.636 1.00 61.20 ? ? ? ? ? ? 209 PHE L CD1 1 +ATOM 1602 C CD2 . PHE A 1 210 ? 61.440 15.393 29.557 1.00 64.39 ? ? ? ? ? ? 209 PHE L CD2 1 +ATOM 1603 C CE1 . PHE A 1 210 ? 60.362 17.831 30.352 1.00 60.25 ? ? ? ? ? ? 209 PHE L CE1 1 +ATOM 1604 C CE2 . PHE A 1 210 ? 60.103 15.697 29.266 1.00 63.14 ? ? ? ? ? ? 209 PHE L CE2 1 +ATOM 1605 C CZ . PHE A 1 210 ? 59.567 16.920 29.666 1.00 60.89 ? ? ? ? ? ? 209 PHE L CZ 1 +ATOM 1606 N N . ASN A 1 211 ? 63.992 17.516 33.223 1.00 70.30 ? ? ? ? ? ? 210 ASN L N 1 +ATOM 1607 C CA . ASN A 1 211 ? 63.512 18.490 34.204 1.00 73.79 ? ? ? ? ? ? 210 ASN L CA 1 +ATOM 1608 C C . ASN A 1 211 ? 63.058 19.839 33.633 1.00 75.71 ? ? ? ? ? ? 210 ASN L C 1 +ATOM 1609 O O . ASN A 1 211 ? 63.345 20.169 32.482 1.00 76.62 ? ? ? ? ? ? 210 ASN L O 1 +ATOM 1610 C CB . ASN A 1 211 ? 64.591 18.728 35.265 1.00 74.78 ? ? ? ? ? ? 210 ASN L CB 1 +ATOM 1611 C CG . ASN A 1 211 ? 64.374 17.890 36.511 1.00 76.05 ? ? ? ? ? ? 210 ASN L CG 1 +ATOM 1612 O OD1 . ASN A 1 211 ? 65.057 16.888 36.724 1.00 76.69 ? ? ? ? ? ? 210 ASN L OD1 1 +ATOM 1613 N ND2 . ASN A 1 211 ? 63.416 18.294 37.340 1.00 75.01 ? ? ? ? ? ? 210 ASN L ND2 1 +ATOM 1614 N N . ARG A 1 212 ? 62.344 20.608 34.456 1.00 78.00 ? ? ? ? ? ? 211 ARG L N 1 +ATOM 1615 C CA . ARG A 1 212 ? 61.838 21.929 34.080 1.00 79.23 ? ? ? ? ? ? 211 ARG L CA 1 +ATOM 1616 C C . ARG A 1 212 ? 60.724 21.851 33.039 1.00 77.70 ? ? ? ? ? ? 211 ARG L C 1 +ATOM 1617 O O . ARG A 1 212 ? 59.639 22.422 33.284 1.00 76.13 ? ? ? ? ? ? 211 ARG L O 1 +ATOM 1618 C CB . ARG A 1 212 ? 62.982 22.807 33.548 1.00 82.12 ? ? ? ? ? ? 211 ARG L CB 1 +ATOM 1619 C CG . ARG A 1 212 ? 63.875 23.412 34.632 1.00 84.08 ? ? ? ? ? ? 211 ARG L CG 1 +ATOM 1620 C CD . ARG A 1 212 ? 65.262 22.786 34.634 1.00 87.56 ? ? ? ? ? ? 211 ARG L CD 1 +ATOM 1621 N NE . ARG A 1 212 ? 65.947 22.951 33.354 1.00 92.16 ? ? ? ? ? ? 211 ARG L NE 1 +ATOM 1622 C CZ . ARG A 1 212 ? 66.660 21.999 32.756 1.00 96.06 ? ? ? ? ? ? 211 ARG L CZ 1 +ATOM 1623 N NH1 . ARG A 1 212 ? 66.786 20.805 33.321 1.00 99.00 ? ? ? ? ? ? 211 ARG L NH1 1 +ATOM 1624 N NH2 . ARG A 1 212 ? 67.251 22.238 31.592 1.00 99.00 ? ? ? ? ? ? 211 ARG L NH2 1 +ATOM 1625 O OXT . ARG A 1 212 ? 60.954 21.221 31.989 1.00 75.69 ? ? ? ? ? ? 211 ARG L OXT 1 +ATOM 1626 N N . GLU B 2 1 ? 40.545 -7.360 -18.036 1.00 57.91 ? ? ? ? ? ? 1 GLU H N 1 +ATOM 1627 C CA . GLU B 2 1 ? 40.539 -7.596 -16.563 1.00 57.15 ? ? ? ? ? ? 1 GLU H CA 1 +ATOM 1628 C C . GLU B 2 1 ? 39.145 -7.451 -15.971 1.00 52.54 ? ? ? ? ? ? 1 GLU H C 1 +ATOM 1629 O O . GLU B 2 1 ? 38.543 -6.380 -16.029 1.00 54.86 ? ? ? ? ? ? 1 GLU H O 1 +ATOM 1630 C CB . GLU B 2 1 ? 41.479 -6.610 -15.856 1.00 61.03 ? ? ? ? ? ? 1 GLU H CB 1 +ATOM 1631 C CG . GLU B 2 1 ? 42.116 -7.155 -14.584 1.00 69.30 ? ? ? ? ? ? 1 GLU H CG 1 +ATOM 1632 C CD . GLU B 2 1 ? 43.437 -7.862 -14.851 1.00 74.66 ? ? ? ? ? ? 1 GLU H CD 1 +ATOM 1633 O OE1 . GLU B 2 1 ? 43.455 -8.801 -15.676 1.00 77.74 ? ? ? ? ? ? 1 GLU H OE1 1 +ATOM 1634 O OE2 . GLU B 2 1 ? 44.457 -7.479 -14.237 1.00 78.65 ? ? ? ? ? ? 1 GLU H OE2 1 +ATOM 1635 N N . VAL B 2 2 ? 38.621 -8.535 -15.419 1.00 45.62 ? ? ? ? ? ? 2 VAL H N 1 +ATOM 1636 C CA . VAL B 2 2 ? 37.325 -8.459 -14.787 1.00 39.22 ? ? ? ? ? ? 2 VAL H CA 1 +ATOM 1637 C C . VAL B 2 2 ? 37.599 -7.604 -13.558 1.00 39.25 ? ? ? ? ? ? 2 VAL H C 1 +ATOM 1638 O O . VAL B 2 2 ? 38.585 -7.838 -12.850 1.00 38.59 ? ? ? ? ? ? 2 VAL H O 1 +ATOM 1639 C CB . VAL B 2 2 ? 36.846 -9.839 -14.315 1.00 36.28 ? ? ? ? ? ? 2 VAL H CB 1 +ATOM 1640 C CG1 . VAL B 2 2 ? 35.446 -9.732 -13.757 1.00 34.11 ? ? ? ? ? ? 2 VAL H CG1 1 +ATOM 1641 C CG2 . VAL B 2 2 ? 36.905 -10.836 -15.461 1.00 37.89 ? ? ? ? ? ? 2 VAL H CG2 1 +ATOM 1642 N N . GLN B 2 3 ? 36.778 -6.590 -13.312 1.00 37.84 ? ? ? ? ? ? 3 GLN H N 1 +ATOM 1643 C CA . GLN B 2 3 ? 36.991 -5.786 -12.116 1.00 34.97 ? ? ? ? ? ? 3 GLN H CA 1 +ATOM 1644 C C . GLN B 2 3 ? 35.837 -4.901 -11.705 1.00 30.46 ? ? ? ? ? ? 3 GLN H C 1 +ATOM 1645 O O . GLN B 2 3 ? 35.020 -4.502 -12.522 1.00 30.67 ? ? ? ? ? ? 3 GLN H O 1 +ATOM 1646 C CB . GLN B 2 3 ? 38.281 -4.968 -12.221 1.00 36.91 ? ? ? ? ? ? 3 GLN H CB 1 +ATOM 1647 C CG . GLN B 2 3 ? 38.284 -3.816 -13.186 1.00 48.70 ? ? ? ? ? ? 3 GLN H CG 1 +ATOM 1648 C CD . GLN B 2 3 ? 39.641 -3.114 -13.199 1.00 53.88 ? ? ? ? ? ? 3 GLN H CD 1 +ATOM 1649 O OE1 . GLN B 2 3 ? 40.494 -3.373 -12.345 1.00 57.00 ? ? ? ? ? ? 3 GLN H OE1 1 +ATOM 1650 N NE2 . GLN B 2 3 ? 39.846 -2.225 -14.167 1.00 58.84 ? ? ? ? ? ? 3 GLN H NE2 1 +ATOM 1651 N N . LEU B 2 4 ? 35.778 -4.632 -10.403 1.00 30.93 ? ? ? ? ? ? 4 LEU H N 1 +ATOM 1652 C CA . LEU B 2 4 ? 34.738 -3.811 -9.809 1.00 28.08 ? ? ? ? ? ? 4 LEU H CA 1 +ATOM 1653 C C . LEU B 2 4 ? 35.318 -2.456 -9.416 1.00 26.42 ? ? ? ? ? ? 4 LEU H C 1 +ATOM 1654 O O . LEU B 2 4 ? 36.234 -2.365 -8.605 1.00 27.46 ? ? ? ? ? ? 4 LEU H O 1 +ATOM 1655 C CB . LEU B 2 4 ? 34.155 -4.520 -8.578 1.00 27.66 ? ? ? ? ? ? 4 LEU H CB 1 +ATOM 1656 C CG . LEU B 2 4 ? 33.331 -5.798 -8.784 1.00 25.89 ? ? ? ? ? ? 4 LEU H CG 1 +ATOM 1657 C CD1 . LEU B 2 4 ? 32.735 -6.286 -7.459 1.00 21.91 ? ? ? ? ? ? 4 LEU H CD1 1 +ATOM 1658 C CD2 . LEU B 2 4 ? 32.222 -5.501 -9.772 1.00 25.18 ? ? ? ? ? ? 4 LEU H CD2 1 +ATOM 1659 N N . GLN B 2 5 ? 34.775 -1.406 -10.013 1.00 28.21 ? ? ? ? ? ? 5 GLN H N 1 +ATOM 1660 C CA . GLN B 2 5 ? 35.213 -0.039 -9.759 1.00 30.19 ? ? ? ? ? ? 5 GLN H CA 1 +ATOM 1661 C C . GLN B 2 5 ? 34.198 0.699 -8.890 1.00 27.60 ? ? ? ? ? ? 5 GLN H C 1 +ATOM 1662 O O . GLN B 2 5 ? 33.025 0.812 -9.250 1.00 28.49 ? ? ? ? ? ? 5 GLN H O 1 +ATOM 1663 C CB . GLN B 2 5 ? 35.374 0.694 -11.087 1.00 35.52 ? ? ? ? ? ? 5 GLN H CB 1 +ATOM 1664 C CG . GLN B 2 5 ? 36.346 1.841 -11.031 1.00 50.52 ? ? ? ? ? ? 5 GLN H CG 1 +ATOM 1665 C CD . GLN B 2 5 ? 37.777 1.363 -10.920 1.00 58.54 ? ? ? ? ? ? 5 GLN H CD 1 +ATOM 1666 O OE1 . GLN B 2 5 ? 38.539 1.834 -10.069 1.00 64.26 ? ? ? ? ? ? 5 GLN H OE1 1 +ATOM 1667 N NE2 . GLN B 2 5 ? 38.153 0.416 -11.782 1.00 61.81 ? ? ? ? ? ? 5 GLN H NE2 1 +ATOM 1668 N N . GLN B 2 6 ? 34.653 1.204 -7.747 1.00 27.73 ? ? ? ? ? ? 6 GLN H N 1 +ATOM 1669 C CA . GLN B 2 6 ? 33.780 1.927 -6.823 1.00 25.15 ? ? ? ? ? ? 6 GLN H CA 1 +ATOM 1670 C C . GLN B 2 6 ? 34.039 3.424 -6.867 1.00 22.47 ? ? ? ? ? ? 6 GLN H C 1 +ATOM 1671 O O . GLN B 2 6 ? 35.125 3.855 -7.234 1.00 20.33 ? ? ? ? ? ? 6 GLN H O 1 +ATOM 1672 C CB . GLN B 2 6 ? 34.003 1.427 -5.402 1.00 26.07 ? ? ? ? ? ? 6 GLN H CB 1 +ATOM 1673 C CG . GLN B 2 6 ? 33.659 -0.033 -5.202 1.00 25.36 ? ? ? ? ? ? 6 GLN H CG 1 +ATOM 1674 C CD . GLN B 2 6 ? 33.772 -0.451 -3.759 1.00 25.47 ? ? ? ? ? ? 6 GLN H CD 1 +ATOM 1675 O OE1 . GLN B 2 6 ? 34.396 -1.464 -3.452 1.00 26.83 ? ? ? ? ? ? 6 GLN H OE1 1 +ATOM 1676 N NE2 . GLN B 2 6 ? 33.168 0.328 -2.858 1.00 22.93 ? ? ? ? ? ? 6 GLN H NE2 1 +ATOM 1677 N N . SER B 2 7 ? 33.036 4.211 -6.491 1.00 22.31 ? ? ? ? ? ? 7 SER H N 1 +ATOM 1678 C CA . SER B 2 7 ? 33.178 5.660 -6.486 1.00 21.46 ? ? ? ? ? ? 7 SER H CA 1 +ATOM 1679 C C . SER B 2 7 ? 34.201 6.077 -5.437 1.00 24.16 ? ? ? ? ? ? 7 SER H C 1 +ATOM 1680 O O . SER B 2 7 ? 34.632 5.258 -4.614 1.00 26.43 ? ? ? ? ? ? 7 SER H O 1 +ATOM 1681 C CB . SER B 2 7 ? 31.828 6.338 -6.219 1.00 19.51 ? ? ? ? ? ? 7 SER H CB 1 +ATOM 1682 O OG . SER B 2 7 ? 31.034 5.600 -5.309 1.00 21.51 ? ? ? ? ? ? 7 SER H OG 1 +ATOM 1683 N N . GLY B 2 8 ? 34.579 7.353 -5.469 1.00 23.56 ? ? ? ? ? ? 8 GLY H N 1 +ATOM 1684 C CA . GLY B 2 8 ? 35.576 7.878 -4.546 1.00 24.22 ? ? ? ? ? ? 8 GLY H CA 1 +ATOM 1685 C C . GLY B 2 8 ? 35.251 8.056 -3.070 1.00 21.90 ? ? ? ? ? ? 8 GLY H C 1 +ATOM 1686 O O . GLY B 2 8 ? 34.112 7.886 -2.639 1.00 21.24 ? ? ? ? ? ? 8 GLY H O 1 +ATOM 1687 N N . ALA B 2 9 ? 36.278 8.415 -2.301 1.00 23.35 ? ? ? ? ? ? 9 ALA H N 1 +ATOM 1688 C CA . ALA B 2 9 ? 36.164 8.620 -0.856 1.00 25.30 ? ? ? ? ? ? 9 ALA H CA 1 +ATOM 1689 C C . ALA B 2 9 ? 35.087 9.626 -0.494 1.00 27.55 ? ? ? ? ? ? 9 ALA H C 1 +ATOM 1690 O O . ALA B 2 9 ? 34.912 10.636 -1.173 1.00 28.93 ? ? ? ? ? ? 9 ALA H O 1 +ATOM 1691 C CB . ALA B 2 9 ? 37.498 9.067 -0.290 1.00 26.36 ? ? ? ? ? ? 9 ALA H CB 1 +ATOM 1692 N N . GLU B 2 10 ? 34.363 9.346 0.584 1.00 27.50 ? ? ? ? ? ? 10 GLU H N 1 +ATOM 1693 C CA . GLU B 2 10 ? 33.288 10.230 1.016 1.00 28.38 ? ? ? ? ? ? 10 GLU H CA 1 +ATOM 1694 C C . GLU B 2 10 ? 33.537 10.832 2.385 1.00 28.24 ? ? ? ? ? ? 10 GLU H C 1 +ATOM 1695 O O . GLU B 2 10 ? 34.003 10.154 3.302 1.00 27.02 ? ? ? ? ? ? 10 GLU H O 1 +ATOM 1696 C CB . GLU B 2 10 ? 31.949 9.479 1.056 1.00 25.34 ? ? ? ? ? ? 10 GLU H CB 1 +ATOM 1697 C CG . GLU B 2 10 ? 31.457 8.977 -0.290 1.00 24.51 ? ? ? ? ? ? 10 GLU H CG 1 +ATOM 1698 C CD . GLU B 2 10 ? 30.904 10.083 -1.164 1.00 25.08 ? ? ? ? ? ? 10 GLU H CD 1 +ATOM 1699 O OE1 . GLU B 2 10 ? 30.589 11.163 -0.628 1.00 27.81 ? ? ? ? ? ? 10 GLU H OE1 1 +ATOM 1700 O OE2 . GLU B 2 10 ? 30.785 9.872 -2.389 1.00 25.78 ? ? ? ? ? ? 10 GLU H OE2 1 +ATOM 1701 N N . LEU B 2 11 ? 33.233 12.116 2.506 1.00 26.94 ? ? ? ? ? ? 11 LEU H N 1 +ATOM 1702 C CA . LEU B 2 11 ? 33.361 12.822 3.774 1.00 27.55 ? ? ? ? ? ? 11 LEU H CA 1 +ATOM 1703 C C . LEU B 2 11 ? 32.006 13.501 3.931 1.00 27.47 ? ? ? ? ? ? 11 LEU H C 1 +ATOM 1704 O O . LEU B 2 11 ? 31.705 14.471 3.233 1.00 26.26 ? ? ? ? ? ? 11 LEU H O 1 +ATOM 1705 C CB . LEU B 2 11 ? 34.487 13.862 3.727 1.00 28.79 ? ? ? ? ? ? 11 LEU H CB 1 +ATOM 1706 C CG . LEU B 2 11 ? 34.622 14.741 4.982 1.00 27.10 ? ? ? ? ? ? 11 LEU H CG 1 +ATOM 1707 C CD1 . LEU B 2 11 ? 34.768 13.879 6.215 1.00 25.93 ? ? ? ? ? ? 11 LEU H CD1 1 +ATOM 1708 C CD2 . LEU B 2 11 ? 35.826 15.654 4.845 1.00 30.51 ? ? ? ? ? ? 11 LEU H CD2 1 +ATOM 1709 N N . VAL B 2 12 ? 31.183 12.968 4.829 1.00 26.91 ? ? ? ? ? ? 12 VAL H N 1 +ATOM 1710 C CA . VAL B 2 12 ? 29.846 13.498 5.036 1.00 28.13 ? ? ? ? ? ? 12 VAL H CA 1 +ATOM 1711 C C . VAL B 2 12 ? 29.602 13.898 6.472 1.00 28.38 ? ? ? ? ? ? 12 VAL H C 1 +ATOM 1712 O O . VAL B 2 12 ? 30.254 13.394 7.378 1.00 27.96 ? ? ? ? ? ? 12 VAL H O 1 +ATOM 1713 C CB . VAL B 2 12 ? 28.782 12.459 4.644 1.00 27.01 ? ? ? ? ? ? 12 VAL H CB 1 +ATOM 1714 C CG1 . VAL B 2 12 ? 27.421 13.119 4.555 1.00 31.62 ? ? ? ? ? ? 12 VAL H CG1 1 +ATOM 1715 C CG2 . VAL B 2 12 ? 29.146 11.825 3.315 1.00 30.63 ? ? ? ? ? ? 12 VAL H CG2 1 +ATOM 1716 N N . LYS B 2 13 ? 28.651 14.807 6.669 1.00 29.51 ? ? ? ? ? ? 13 LYS H N 1 +ATOM 1717 C CA . LYS B 2 13 ? 28.290 15.279 8.003 1.00 28.69 ? ? ? ? ? ? 13 LYS H CA 1 +ATOM 1718 C C . LYS B 2 13 ? 27.150 14.409 8.521 1.00 25.40 ? ? ? ? ? ? 13 LYS H C 1 +ATOM 1719 O O . LYS B 2 13 ? 26.334 13.926 7.743 1.00 26.20 ? ? ? ? ? ? 13 LYS H O 1 +ATOM 1720 C CB . LYS B 2 13 ? 27.826 16.741 7.943 1.00 30.72 ? ? ? ? ? ? 13 LYS H CB 1 +ATOM 1721 C CG . LYS B 2 13 ? 28.909 17.741 7.549 1.00 32.53 ? ? ? ? ? ? 13 LYS H CG 1 +ATOM 1722 C CD . LYS B 2 13 ? 29.554 18.348 8.786 1.00 35.91 ? ? ? ? ? ? 13 LYS H CD 1 +ATOM 1723 C CE . LYS B 2 13 ? 29.646 19.868 8.709 1.00 39.43 ? ? ? ? ? ? 13 LYS H CE 1 +ATOM 1724 N NZ . LYS B 2 13 ? 29.519 20.501 10.064 1.00 40.31 ? ? ? ? ? ? 13 LYS H NZ 1 +ATOM 1725 N N . PRO B 2 14 ? 27.082 14.187 9.842 1.00 26.15 ? ? ? ? ? ? 14 PRO H N 1 +ATOM 1726 C CA . PRO B 2 14 ? 25.993 13.358 10.364 1.00 27.04 ? ? ? ? ? ? 14 PRO H CA 1 +ATOM 1727 C C . PRO B 2 14 ? 24.617 13.922 9.993 1.00 28.77 ? ? ? ? ? ? 14 PRO H C 1 +ATOM 1728 O O . PRO B 2 14 ? 24.444 15.136 9.853 1.00 30.11 ? ? ? ? ? ? 14 PRO H O 1 +ATOM 1729 C CB . PRO B 2 14 ? 26.239 13.350 11.873 1.00 24.06 ? ? ? ? ? ? 14 PRO H CB 1 +ATOM 1730 C CG . PRO B 2 14 ? 27.676 13.717 12.030 1.00 23.09 ? ? ? ? ? ? 14 PRO H CG 1 +ATOM 1731 C CD . PRO B 2 14 ? 27.978 14.656 10.914 1.00 25.35 ? ? ? ? ? ? 14 PRO H CD 1 +ATOM 1732 N N . GLY B 2 15 ? 23.640 13.038 9.830 1.00 29.18 ? ? ? ? ? ? 15 GLY H N 1 +ATOM 1733 C CA . GLY B 2 15 ? 22.310 13.487 9.467 1.00 26.25 ? ? ? ? ? ? 15 GLY H CA 1 +ATOM 1734 C C . GLY B 2 15 ? 22.144 13.530 7.959 1.00 25.09 ? ? ? ? ? ? 15 GLY H C 1 +ATOM 1735 O O . GLY B 2 15 ? 21.024 13.500 7.444 1.00 25.76 ? ? ? ? ? ? 15 GLY H O 1 +ATOM 1736 N N . ALA B 2 16 ? 23.262 13.602 7.245 1.00 22.03 ? ? ? ? ? ? 16 ALA H N 1 +ATOM 1737 C CA . ALA B 2 16 ? 23.223 13.629 5.792 1.00 24.78 ? ? ? ? ? ? 16 ALA H CA 1 +ATOM 1738 C C . ALA B 2 16 ? 23.137 12.203 5.249 1.00 25.06 ? ? ? ? ? ? 16 ALA H C 1 +ATOM 1739 O O . ALA B 2 16 ? 23.129 11.233 6.012 1.00 25.69 ? ? ? ? ? ? 16 ALA H O 1 +ATOM 1740 C CB . ALA B 2 16 ? 24.465 14.306 5.257 1.00 23.70 ? ? ? ? ? ? 16 ALA H CB 1 +ATOM 1741 N N . SER B 2 17 ? 23.058 12.077 3.928 1.00 25.27 ? ? ? ? ? ? 17 SER H N 1 +ATOM 1742 C CA . SER B 2 17 ? 23.001 10.762 3.305 1.00 24.63 ? ? ? ? ? ? 17 SER H CA 1 +ATOM 1743 C C . SER B 2 17 ? 24.032 10.716 2.188 1.00 22.92 ? ? ? ? ? ? 17 SER H C 1 +ATOM 1744 O O . SER B 2 17 ? 24.547 11.748 1.764 1.00 21.56 ? ? ? ? ? ? 17 SER H O 1 +ATOM 1745 C CB . SER B 2 17 ? 21.590 10.467 2.778 1.00 23.04 ? ? ? ? ? ? 17 SER H CB 1 +ATOM 1746 O OG . SER B 2 17 ? 21.316 11.151 1.578 1.00 26.93 ? ? ? ? ? ? 17 SER H OG 1 +ATOM 1747 N N . VAL B 2 18 ? 24.363 9.521 1.724 1.00 21.58 ? ? ? ? ? ? 18 VAL H N 1 +ATOM 1748 C CA . VAL B 2 18 ? 25.349 9.414 0.673 1.00 20.91 ? ? ? ? ? ? 18 VAL H CA 1 +ATOM 1749 C C . VAL B 2 18 ? 25.076 8.168 -0.156 1.00 22.85 ? ? ? ? ? ? 18 VAL H C 1 +ATOM 1750 O O . VAL B 2 18 ? 24.653 7.153 0.385 1.00 23.11 ? ? ? ? ? ? 18 VAL H O 1 +ATOM 1751 C CB . VAL B 2 18 ? 26.773 9.373 1.292 1.00 19.75 ? ? ? ? ? ? 18 VAL H CB 1 +ATOM 1752 C CG1 . VAL B 2 18 ? 27.097 7.973 1.804 1.00 21.86 ? ? ? ? ? ? 18 VAL H CG1 1 +ATOM 1753 C CG2 . VAL B 2 18 ? 27.793 9.824 0.281 1.00 17.44 ? ? ? ? ? ? 18 VAL H CG2 1 +ATOM 1754 N N . LYS B 2 19 ? 25.281 8.254 -1.471 1.00 21.89 ? ? ? ? ? ? 19 LYS H N 1 +ATOM 1755 C CA . LYS B 2 19 ? 25.081 7.105 -2.357 1.00 22.23 ? ? ? ? ? ? 19 LYS H CA 1 +ATOM 1756 C C . LYS B 2 19 ? 26.403 6.676 -3.008 1.00 21.14 ? ? ? ? ? ? 19 LYS H C 1 +ATOM 1757 O O . LYS B 2 19 ? 27.035 7.450 -3.722 1.00 21.51 ? ? ? ? ? ? 19 LYS H O 1 +ATOM 1758 C CB . LYS B 2 19 ? 24.052 7.428 -3.442 1.00 22.65 ? ? ? ? ? ? 19 LYS H CB 1 +ATOM 1759 C CG . LYS B 2 19 ? 23.625 6.207 -4.260 1.00 21.24 ? ? ? ? ? ? 19 LYS H CG 1 +ATOM 1760 C CD . LYS B 2 19 ? 22.138 6.225 -4.536 1.00 22.10 ? ? ? ? ? ? 19 LYS H CD 1 +ATOM 1761 C CE . LYS B 2 19 ? 21.828 5.719 -5.917 1.00 22.34 ? ? ? ? ? ? 19 LYS H CE 1 +ATOM 1762 N NZ . LYS B 2 19 ? 20.379 5.831 -6.222 1.00 24.43 ? ? ? ? ? ? 19 LYS H NZ 1 +ATOM 1763 N N . LEU B 2 20 ? 26.819 5.441 -2.739 1.00 22.39 ? ? ? ? ? ? 20 LEU H N 1 +ATOM 1764 C CA . LEU B 2 20 ? 28.061 4.886 -3.284 1.00 22.30 ? ? ? ? ? ? 20 LEU H CA 1 +ATOM 1765 C C . LEU B 2 20 ? 27.776 4.039 -4.537 1.00 21.73 ? ? ? ? ? ? 20 LEU H C 1 +ATOM 1766 O O . LEU B 2 20 ? 26.722 3.417 -4.643 1.00 22.51 ? ? ? ? ? ? 20 LEU H O 1 +ATOM 1767 C CB . LEU B 2 20 ? 28.753 4.020 -2.223 1.00 18.62 ? ? ? ? ? ? 20 LEU H CB 1 +ATOM 1768 C CG . LEU B 2 20 ? 28.832 4.540 -0.781 1.00 21.10 ? ? ? ? ? ? 20 LEU H CG 1 +ATOM 1769 C CD1 . LEU B 2 20 ? 29.599 3.525 0.074 1.00 15.23 ? ? ? ? ? ? 20 LEU H CD1 1 +ATOM 1770 C CD2 . LEU B 2 20 ? 29.509 5.906 -0.741 1.00 16.32 ? ? ? ? ? ? 20 LEU H CD2 1 +ATOM 1771 N N . SER B 2 21 ? 28.705 4.003 -5.484 1.00 21.48 ? ? ? ? ? ? 21 SER H N 1 +ATOM 1772 C CA . SER B 2 21 ? 28.473 3.219 -6.689 1.00 21.39 ? ? ? ? ? ? 21 SER H CA 1 +ATOM 1773 C C . SER B 2 21 ? 29.585 2.218 -7.009 1.00 21.10 ? ? ? ? ? ? 21 SER H C 1 +ATOM 1774 O O . SER B 2 21 ? 30.756 2.416 -6.656 1.00 21.29 ? ? ? ? ? ? 21 SER H O 1 +ATOM 1775 C CB . SER B 2 21 ? 28.205 4.152 -7.885 1.00 19.92 ? ? ? ? ? ? 21 SER H CB 1 +ATOM 1776 O OG . SER B 2 21 ? 29.394 4.542 -8.541 1.00 27.51 ? ? ? ? ? ? 21 SER H OG 1 +ATOM 1777 N N . CYS B 2 22 ? 29.194 1.136 -7.676 1.00 21.82 ? ? ? ? ? ? 22 CYS H N 1 +ATOM 1778 C CA . CYS B 2 22 ? 30.113 0.061 -8.043 1.00 25.18 ? ? ? ? ? ? 22 CYS H CA 1 +ATOM 1779 C C . CYS B 2 22 ? 29.831 -0.404 -9.480 1.00 23.23 ? ? ? ? ? ? 22 CYS H C 1 +ATOM 1780 O O . CYS B 2 22 ? 28.753 -0.919 -9.785 1.00 20.59 ? ? ? ? ? ? 22 CYS H O 1 +ATOM 1781 C CB . CYS B 2 22 ? 29.942 -1.096 -7.042 1.00 30.47 ? ? ? ? ? ? 22 CYS H CB 1 +ATOM 1782 S SG . CYS B 2 22 ? 30.842 -2.641 -7.395 1.00 31.36 ? ? ? ? ? ? 22 CYS H SG 1 +ATOM 1783 N N . THR B 2 23 ? 30.808 -0.216 -10.361 1.00 22.96 ? ? ? ? ? ? 23 THR H N 1 +ATOM 1784 C CA . THR B 2 23 ? 30.644 -0.594 -11.757 1.00 24.94 ? ? ? ? ? ? 23 THR H CA 1 +ATOM 1785 C C . THR B 2 23 ? 31.494 -1.786 -12.163 1.00 23.91 ? ? ? ? ? ? 23 THR H C 1 +ATOM 1786 O O . THR B 2 23 ? 32.718 -1.771 -12.029 1.00 26.00 ? ? ? ? ? ? 23 THR H O 1 +ATOM 1787 C CB . THR B 2 23 ? 30.977 0.587 -12.683 1.00 28.73 ? ? ? ? ? ? 23 THR H CB 1 +ATOM 1788 O OG1 . THR B 2 23 ? 30.141 1.698 -12.341 1.00 31.04 ? ? ? ? ? ? 23 THR H OG1 1 +ATOM 1789 C CG2 . THR B 2 23 ? 30.746 0.207 -14.151 1.00 26.72 ? ? ? ? ? ? 23 THR H CG2 1 +ATOM 1790 N N . ALA B 2 24 ? 30.835 -2.815 -12.679 1.00 24.07 ? ? ? ? ? ? 24 ALA H N 1 +ATOM 1791 C CA . ALA B 2 24 ? 31.520 -4.022 -13.102 1.00 23.39 ? ? ? ? ? ? 24 ALA H CA 1 +ATOM 1792 C C . ALA B 2 24 ? 31.946 -3.952 -14.556 1.00 25.64 ? ? ? ? ? ? 24 ALA H C 1 +ATOM 1793 O O . ALA B 2 24 ? 31.247 -3.394 -15.396 1.00 30.83 ? ? ? ? ? ? 24 ALA H O 1 +ATOM 1794 C CB . ALA B 2 24 ? 30.617 -5.219 -12.900 1.00 21.89 ? ? ? ? ? ? 24 ALA H CB 1 +ATOM 1795 N N . SER B 2 25 ? 33.109 -4.509 -14.849 1.00 24.05 ? ? ? ? ? ? 25 SER H N 1 +ATOM 1796 C CA . SER B 2 25 ? 33.595 -4.565 -16.213 1.00 22.86 ? ? ? ? ? ? 25 SER H CA 1 +ATOM 1797 C C . SER B 2 25 ? 34.152 -5.974 -16.347 1.00 22.03 ? ? ? ? ? ? 25 SER H C 1 +ATOM 1798 O O . SER B 2 25 ? 34.843 -6.457 -15.459 1.00 24.16 ? ? ? ? ? ? 25 SER H O 1 +ATOM 1799 C CB . SER B 2 25 ? 34.673 -3.508 -16.450 1.00 23.31 ? ? ? ? ? ? 25 SER H CB 1 +ATOM 1800 O OG . SER B 2 25 ? 35.851 -3.798 -15.735 1.00 34.10 ? ? ? ? ? ? 25 SER H OG 1 +ATOM 1801 N N . GLY B 2 26 ? 33.815 -6.655 -17.432 1.00 21.37 ? ? ? ? ? ? 26 GLY H N 1 +ATOM 1802 C CA . GLY B 2 26 ? 34.303 -8.009 -17.609 1.00 21.43 ? ? ? ? ? ? 26 GLY H CA 1 +ATOM 1803 C C . GLY B 2 26 ? 33.192 -9.039 -17.497 1.00 21.58 ? ? ? ? ? ? 26 GLY H C 1 +ATOM 1804 O O . GLY B 2 26 ? 33.368 -10.202 -17.855 1.00 24.05 ? ? ? ? ? ? 26 GLY H O 1 +ATOM 1805 N N . PHE B 2 27 ? 32.048 -8.611 -16.977 1.00 20.00 ? ? ? ? ? ? 27 PHE H N 1 +ATOM 1806 C CA . PHE B 2 27 ? 30.891 -9.478 -16.834 1.00 18.52 ? ? ? ? ? ? 27 PHE H CA 1 +ATOM 1807 C C . PHE B 2 27 ? 29.681 -8.584 -16.632 1.00 18.48 ? ? ? ? ? ? 27 PHE H C 1 +ATOM 1808 O O . PHE B 2 27 ? 29.834 -7.393 -16.366 1.00 23.56 ? ? ? ? ? ? 27 PHE H O 1 +ATOM 1809 C CB . PHE B 2 27 ? 31.068 -10.446 -15.647 1.00 23.94 ? ? ? ? ? ? 27 PHE H CB 1 +ATOM 1810 C CG . PHE B 2 27 ? 31.051 -9.779 -14.279 1.00 26.98 ? ? ? ? ? ? 27 PHE H CG 1 +ATOM 1811 C CD1 . PHE B 2 27 ? 32.204 -9.197 -13.754 1.00 25.70 ? ? ? ? ? ? 27 PHE H CD1 1 +ATOM 1812 C CD2 . PHE B 2 27 ? 29.881 -9.749 -13.512 1.00 25.67 ? ? ? ? ? ? 27 PHE H CD2 1 +ATOM 1813 C CE1 . PHE B 2 27 ? 32.193 -8.594 -12.485 1.00 23.77 ? ? ? ? ? ? 27 PHE H CE1 1 +ATOM 1814 C CE2 . PHE B 2 27 ? 29.863 -9.150 -12.247 1.00 20.49 ? ? ? ? ? ? 27 PHE H CE2 1 +ATOM 1815 C CZ . PHE B 2 27 ? 31.021 -8.572 -11.738 1.00 18.12 ? ? ? ? ? ? 27 PHE H CZ 1 +ATOM 1816 N N . ASN B 2 28 ? 28.487 -9.139 -16.799 1.00 20.18 ? ? ? ? ? ? 28 ASN H N 1 +ATOM 1817 C CA . ASN B 2 28 ? 27.264 -8.373 -16.604 1.00 21.56 ? ? ? ? ? ? 28 ASN H CA 1 +ATOM 1818 C C . ASN B 2 28 ? 26.785 -8.669 -15.203 1.00 23.50 ? ? ? ? ? ? 28 ASN H C 1 +ATOM 1819 O O . ASN B 2 28 ? 26.670 -9.829 -14.809 1.00 22.54 ? ? ? ? ? ? 28 ASN H O 1 +ATOM 1820 C CB . ASN B 2 28 ? 26.162 -8.795 -17.575 1.00 25.03 ? ? ? ? ? ? 28 ASN H CB 1 +ATOM 1821 C CG . ASN B 2 28 ? 26.545 -8.610 -19.023 1.00 32.16 ? ? ? ? ? ? 28 ASN H CG 1 +ATOM 1822 O OD1 . ASN B 2 28 ? 27.325 -7.709 -19.352 1.00 36.62 ? ? ? ? ? ? 28 ASN H OD1 1 +ATOM 1823 N ND2 . ASN B 2 28 ? 26.003 -9.455 -19.900 1.00 31.57 ? ? ? ? ? ? 28 ASN H ND2 1 +ATOM 1824 N N . ILE B 2 29 ? 26.485 -7.625 -14.449 1.00 23.77 ? ? ? ? ? ? 29 ILE H N 1 +ATOM 1825 C CA . ILE B 2 29 ? 26.019 -7.823 -13.092 1.00 24.43 ? ? ? ? ? ? 29 ILE H CA 1 +ATOM 1826 C C . ILE B 2 29 ? 24.667 -8.545 -13.064 1.00 23.88 ? ? ? ? ? ? 29 ILE H C 1 +ATOM 1827 O O . ILE B 2 29 ? 24.272 -9.107 -12.050 1.00 25.56 ? ? ? ? ? ? 29 ILE H O 1 +ATOM 1828 C CB . ILE B 2 29 ? 25.943 -6.472 -12.352 1.00 23.24 ? ? ? ? ? ? 29 ILE H CB 1 +ATOM 1829 C CG1 . ILE B 2 29 ? 24.946 -5.535 -13.049 1.00 24.54 ? ? ? ? ? ? 29 ILE H CG1 1 +ATOM 1830 C CG2 . ILE B 2 29 ? 27.335 -5.847 -12.316 1.00 15.54 ? ? ? ? ? ? 29 ILE H CG2 1 +ATOM 1831 C CD1 . ILE B 2 29 ? 24.367 -4.443 -12.133 1.00 21.05 ? ? ? ? ? ? 29 ILE H CD1 1 +ATOM 1832 N N . LYS B 2 30 ? 23.970 -8.556 -14.190 1.00 23.07 ? ? ? ? ? ? 30 LYS H N 1 +ATOM 1833 C CA . LYS B 2 30 ? 22.681 -9.223 -14.254 1.00 23.96 ? ? ? ? ? ? 30 LYS H CA 1 +ATOM 1834 C C . LYS B 2 30 ? 22.834 -10.749 -14.180 1.00 21.60 ? ? ? ? ? ? 30 LYS H C 1 +ATOM 1835 O O . LYS B 2 30 ? 21.859 -11.466 -13.959 1.00 21.55 ? ? ? ? ? ? 30 LYS H O 1 +ATOM 1836 C CB . LYS B 2 30 ? 21.960 -8.837 -15.551 1.00 28.35 ? ? ? ? ? ? 30 LYS H CB 1 +ATOM 1837 C CG . LYS B 2 30 ? 22.033 -9.911 -16.636 1.00 35.62 ? ? ? ? ? ? 30 LYS H CG 1 +ATOM 1838 C CD . LYS B 2 30 ? 21.671 -9.375 -18.009 1.00 43.20 ? ? ? ? ? ? 30 LYS H CD 1 +ATOM 1839 C CE . LYS B 2 30 ? 22.479 -10.078 -19.097 1.00 47.70 ? ? ? ? ? ? 30 LYS H CE 1 +ATOM 1840 N NZ . LYS B 2 30 ? 21.619 -10.785 -20.089 1.00 51.50 ? ? ? ? ? ? 30 LYS H NZ 1 +ATOM 1841 N N . ASP B 2 31 ? 24.054 -11.244 -14.351 1.00 21.08 ? ? ? ? ? ? 31 ASP H N 1 +ATOM 1842 C CA . ASP B 2 31 ? 24.284 -12.679 -14.333 1.00 22.51 ? ? ? ? ? ? 31 ASP H CA 1 +ATOM 1843 C C . ASP B 2 31 ? 24.807 -13.223 -13.020 1.00 24.57 ? ? ? ? ? ? 31 ASP H C 1 +ATOM 1844 O O . ASP B 2 31 ? 25.142 -14.403 -12.925 1.00 28.84 ? ? ? ? ? ? 31 ASP H O 1 +ATOM 1845 C CB . ASP B 2 31 ? 25.235 -13.069 -15.455 1.00 23.49 ? ? ? ? ? ? 31 ASP H CB 1 +ATOM 1846 C CG . ASP B 2 31 ? 24.706 -12.684 -16.825 1.00 27.30 ? ? ? ? ? ? 31 ASP H CG 1 +ATOM 1847 O OD1 . ASP B 2 31 ? 23.477 -12.814 -17.053 1.00 30.99 ? ? ? ? ? ? 31 ASP H OD1 1 +ATOM 1848 O OD2 . ASP B 2 31 ? 25.523 -12.248 -17.668 1.00 25.87 ? ? ? ? ? ? 31 ASP H OD2 1 +ATOM 1849 N N . THR B 2 32 ? 24.872 -12.368 -12.005 1.00 24.16 ? ? ? ? ? ? 32 THR H N 1 +ATOM 1850 C CA . THR B 2 32 ? 25.340 -12.788 -10.694 1.00 19.15 ? ? ? ? ? ? 32 THR H CA 1 +ATOM 1851 C C . THR B 2 32 ? 24.556 -12.070 -9.599 1.00 17.81 ? ? ? ? ? ? 32 THR H C 1 +ATOM 1852 O O . THR B 2 32 ? 23.432 -11.611 -9.828 1.00 19.95 ? ? ? ? ? ? 32 THR H O 1 +ATOM 1853 C CB . THR B 2 32 ? 26.853 -12.519 -10.550 1.00 19.82 ? ? ? ? ? ? 32 THR H CB 1 +ATOM 1854 O OG1 . THR B 2 32 ? 27.338 -13.134 -9.351 1.00 18.48 ? ? ? ? ? ? 32 THR H OG1 1 +ATOM 1855 C CG2 . THR B 2 32 ? 27.134 -11.024 -10.526 1.00 19.90 ? ? ? ? ? ? 32 THR H CG2 1 +ATOM 1856 N N . TYR B 2 33 ? 25.130 -12.012 -8.402 1.00 18.98 ? ? ? ? ? ? 33 TYR H N 1 +ATOM 1857 C CA . TYR B 2 33 ? 24.511 -11.331 -7.268 1.00 16.13 ? ? ? ? ? ? 33 TYR H CA 1 +ATOM 1858 C C . TYR B 2 33 ? 25.484 -10.250 -6.842 1.00 19.05 ? ? ? ? ? ? 33 TYR H C 1 +ATOM 1859 O O . TYR B 2 33 ? 26.694 -10.478 -6.821 1.00 19.46 ? ? ? ? ? ? 33 TYR H O 1 +ATOM 1860 C CB . TYR B 2 33 ? 24.296 -12.290 -6.091 1.00 16.62 ? ? ? ? ? ? 33 TYR H CB 1 +ATOM 1861 C CG . TYR B 2 33 ? 23.121 -13.214 -6.257 1.00 19.14 ? ? ? ? ? ? 33 TYR H CG 1 +ATOM 1862 C CD1 . TYR B 2 33 ? 21.828 -12.781 -5.992 1.00 20.01 ? ? ? ? ? ? 33 TYR H CD1 1 +ATOM 1863 C CD2 . TYR B 2 33 ? 23.295 -14.515 -6.726 1.00 19.47 ? ? ? ? ? ? 33 TYR H CD2 1 +ATOM 1864 C CE1 . TYR B 2 33 ? 20.735 -13.616 -6.196 1.00 18.77 ? ? ? ? ? ? 33 TYR H CE1 1 +ATOM 1865 C CE2 . TYR B 2 33 ? 22.207 -15.358 -6.933 1.00 19.45 ? ? ? ? ? ? 33 TYR H CE2 1 +ATOM 1866 C CZ . TYR B 2 33 ? 20.934 -14.902 -6.667 1.00 20.71 ? ? ? ? ? ? 33 TYR H CZ 1 +ATOM 1867 O OH . TYR B 2 33 ? 19.851 -15.730 -6.881 1.00 23.66 ? ? ? ? ? ? 33 TYR H OH 1 +ATOM 1868 N N . MET B 2 34 ? 24.969 -9.071 -6.510 1.00 20.34 ? ? ? ? ? ? 34 MET H N 1 +ATOM 1869 C CA . MET B 2 34 ? 25.839 -7.983 -6.071 1.00 20.84 ? ? ? ? ? ? 34 MET H CA 1 +ATOM 1870 C C . MET B 2 34 ? 25.660 -7.660 -4.577 1.00 16.08 ? ? ? ? ? ? 34 MET H C 1 +ATOM 1871 O O . MET B 2 34 ? 24.548 -7.628 -4.060 1.00 16.59 ? ? ? ? ? ? 34 MET H O 1 +ATOM 1872 C CB . MET B 2 34 ? 25.598 -6.749 -6.944 1.00 21.27 ? ? ? ? ? ? 34 MET H CB 1 +ATOM 1873 C CG . MET B 2 34 ? 26.021 -6.954 -8.401 1.00 19.46 ? ? ? ? ? ? 34 MET H CG 1 +ATOM 1874 S SD . MET B 2 34 ? 27.784 -7.300 -8.632 1.00 22.19 ? ? ? ? ? ? 34 MET H SD 1 +ATOM 1875 C CE . MET B 2 34 ? 28.463 -5.747 -8.189 1.00 20.08 ? ? ? ? ? ? 34 MET H CE 1 +ATOM 1876 N N . HIS B 2 35 ? 26.761 -7.446 -3.872 1.00 16.65 ? ? ? ? ? ? 35 HIS H N 1 +ATOM 1877 C CA . HIS B 2 35 ? 26.655 -7.154 -2.451 1.00 19.26 ? ? ? ? ? ? 35 HIS H CA 1 +ATOM 1878 C C . HIS B 2 35 ? 27.502 -5.983 -2.029 1.00 19.27 ? ? ? ? ? ? 35 HIS H C 1 +ATOM 1879 O O . HIS B 2 35 ? 28.361 -5.508 -2.773 1.00 18.54 ? ? ? ? ? ? 35 HIS H O 1 +ATOM 1880 C CB . HIS B 2 35 ? 27.087 -8.345 -1.575 1.00 17.26 ? ? ? ? ? ? 35 HIS H CB 1 +ATOM 1881 C CG . HIS B 2 35 ? 26.510 -9.665 -1.981 1.00 16.31 ? ? ? ? ? ? 35 HIS H CG 1 +ATOM 1882 N ND1 . HIS B 2 35 ? 25.452 -10.250 -1.319 1.00 19.00 ? ? ? ? ? ? 35 HIS H ND1 1 +ATOM 1883 C CD2 . HIS B 2 35 ? 26.890 -10.547 -2.935 1.00 15.98 ? ? ? ? ? ? 35 HIS H CD2 1 +ATOM 1884 C CE1 . HIS B 2 35 ? 25.207 -11.436 -1.845 1.00 19.84 ? ? ? ? ? ? 35 HIS H CE1 1 +ATOM 1885 N NE2 . HIS B 2 35 ? 26.065 -11.639 -2.828 1.00 17.50 ? ? ? ? ? ? 35 HIS H NE2 1 +ATOM 1886 N N . TRP B 2 36 ? 27.244 -5.545 -0.800 1.00 22.09 ? ? ? ? ? ? 36 TRP H N 1 +ATOM 1887 C CA . TRP B 2 36 ? 27.979 -4.460 -0.173 1.00 21.87 ? ? ? ? ? ? 36 TRP H CA 1 +ATOM 1888 C C . TRP B 2 36 ? 28.394 -4.968 1.213 1.00 22.31 ? ? ? ? ? ? 36 TRP H C 1 +ATOM 1889 O O . TRP B 2 36 ? 27.569 -5.500 1.966 1.00 22.30 ? ? ? ? ? ? 36 TRP H O 1 +ATOM 1890 C CB . TRP B 2 36 ? 27.099 -3.210 -0.060 1.00 19.00 ? ? ? ? ? ? 36 TRP H CB 1 +ATOM 1891 C CG . TRP B 2 36 ? 27.015 -2.419 -1.350 1.00 19.71 ? ? ? ? ? ? 36 TRP H CG 1 +ATOM 1892 C CD1 . TRP B 2 36 ? 25.996 -2.441 -2.259 1.00 18.75 ? ? ? ? ? ? 36 TRP H CD1 1 +ATOM 1893 C CD2 . TRP B 2 36 ? 27.991 -1.501 -1.866 1.00 21.05 ? ? ? ? ? ? 36 TRP H CD2 1 +ATOM 1894 N NE1 . TRP B 2 36 ? 26.275 -1.598 -3.308 1.00 19.75 ? ? ? ? ? ? 36 TRP H NE1 1 +ATOM 1895 C CE2 . TRP B 2 36 ? 27.493 -1.008 -3.093 1.00 20.85 ? ? ? ? ? ? 36 TRP H CE2 1 +ATOM 1896 C CE3 . TRP B 2 36 ? 29.239 -1.048 -1.412 1.00 18.67 ? ? ? ? ? ? 36 TRP H CE3 1 +ATOM 1897 C CZ2 . TRP B 2 36 ? 28.197 -0.084 -3.870 1.00 18.54 ? ? ? ? ? ? 36 TRP H CZ2 1 +ATOM 1898 C CZ3 . TRP B 2 36 ? 29.939 -0.128 -2.182 1.00 17.28 ? ? ? ? ? ? 36 TRP H CZ3 1 +ATOM 1899 C CH2 . TRP B 2 36 ? 29.415 0.343 -3.401 1.00 19.26 ? ? ? ? ? ? 36 TRP H CH2 1 +ATOM 1900 N N . VAL B 2 37 ? 29.683 -4.853 1.522 1.00 23.04 ? ? ? ? ? ? 37 VAL H N 1 +ATOM 1901 C CA . VAL B 2 37 ? 30.206 -5.291 2.813 1.00 22.68 ? ? ? ? ? ? 37 VAL H CA 1 +ATOM 1902 C C . VAL B 2 37 ? 30.848 -4.082 3.473 1.00 21.44 ? ? ? ? ? ? 37 VAL H C 1 +ATOM 1903 O O . VAL B 2 37 ? 31.435 -3.235 2.796 1.00 21.05 ? ? ? ? ? ? 37 VAL H O 1 +ATOM 1904 C CB . VAL B 2 37 ? 31.266 -6.411 2.663 1.00 21.22 ? ? ? ? ? ? 37 VAL H CB 1 +ATOM 1905 C CG1 . VAL B 2 37 ? 31.794 -6.806 4.023 1.00 15.80 ? ? ? ? ? ? 37 VAL H CG1 1 +ATOM 1906 C CG2 . VAL B 2 37 ? 30.662 -7.616 1.970 1.00 19.75 ? ? ? ? ? ? 37 VAL H CG2 1 +ATOM 1907 N N . LYS B 2 38 ? 30.733 -4.019 4.795 1.00 21.42 ? ? ? ? ? ? 38 LYS H N 1 +ATOM 1908 C CA . LYS B 2 38 ? 31.263 -2.908 5.581 1.00 23.91 ? ? ? ? ? ? 38 LYS H CA 1 +ATOM 1909 C C . LYS B 2 38 ? 32.383 -3.321 6.544 1.00 24.55 ? ? ? ? ? ? 38 LYS H C 1 +ATOM 1910 O O . LYS B 2 38 ? 32.327 -4.384 7.170 1.00 24.54 ? ? ? ? ? ? 38 LYS H O 1 +ATOM 1911 C CB . LYS B 2 38 ? 30.106 -2.268 6.356 1.00 23.89 ? ? ? ? ? ? 38 LYS H CB 1 +ATOM 1912 C CG . LYS B 2 38 ? 30.486 -1.201 7.344 1.00 26.53 ? ? ? ? ? ? 38 LYS H CG 1 +ATOM 1913 C CD . LYS B 2 38 ? 29.384 -1.037 8.386 1.00 27.64 ? ? ? ? ? ? 38 LYS H CD 1 +ATOM 1914 C CE . LYS B 2 38 ? 29.599 0.216 9.214 1.00 27.73 ? ? ? ? ? ? 38 LYS H CE 1 +ATOM 1915 N NZ . LYS B 2 38 ? 28.360 0.643 9.913 1.00 30.74 ? ? ? ? ? ? 38 LYS H NZ 1 +ATOM 1916 N N . GLN B 2 39 ? 33.410 -2.483 6.647 1.00 25.98 ? ? ? ? ? ? 39 GLN H N 1 +ATOM 1917 C CA . GLN B 2 39 ? 34.524 -2.750 7.555 1.00 25.54 ? ? ? ? ? ? 39 GLN H CA 1 +ATOM 1918 C C . GLN B 2 39 ? 34.862 -1.488 8.342 1.00 25.95 ? ? ? ? ? ? 39 GLN H C 1 +ATOM 1919 O O . GLN B 2 39 ? 35.382 -0.520 7.787 1.00 22.03 ? ? ? ? ? ? 39 GLN H O 1 +ATOM 1920 C CB . GLN B 2 39 ? 35.765 -3.224 6.789 1.00 23.77 ? ? ? ? ? ? 39 GLN H CB 1 +ATOM 1921 C CG . GLN B 2 39 ? 37.000 -3.387 7.676 1.00 21.92 ? ? ? ? ? ? 39 GLN H CG 1 +ATOM 1922 C CD . GLN B 2 39 ? 38.010 -4.366 7.122 1.00 25.13 ? ? ? ? ? ? 39 GLN H CD 1 +ATOM 1923 O OE1 . GLN B 2 39 ? 38.350 -4.325 5.943 1.00 25.73 ? ? ? ? ? ? 39 GLN H OE1 1 +ATOM 1924 N NE2 . GLN B 2 39 ? 38.503 -5.252 7.975 1.00 23.06 ? ? ? ? ? ? 39 GLN H NE2 1 +ATOM 1925 N N . LYS B 2 40 ? 34.558 -1.505 9.636 1.00 30.67 ? ? ? ? ? ? 40 LYS H N 1 +ATOM 1926 C CA . LYS B 2 40 ? 34.833 -0.363 10.503 1.00 33.08 ? ? ? ? ? ? 40 LYS H CA 1 +ATOM 1927 C C . LYS B 2 40 ? 36.330 -0.295 10.801 1.00 37.80 ? ? ? ? ? ? 40 LYS H C 1 +ATOM 1928 O O . LYS B 2 40 ? 37.019 -1.320 10.781 1.00 37.10 ? ? ? ? ? ? 40 LYS H O 1 +ATOM 1929 C CB . LYS B 2 40 ? 34.038 -0.480 11.805 1.00 32.21 ? ? ? ? ? ? 40 LYS H CB 1 +ATOM 1930 C CG . LYS B 2 40 ? 32.545 -0.190 11.654 1.00 32.85 ? ? ? ? ? ? 40 LYS H CG 1 +ATOM 1931 C CD . LYS B 2 40 ? 32.035 0.689 12.784 1.00 37.11 ? ? ? ? ? ? 40 LYS H CD 1 +ATOM 1932 C CE . LYS B 2 40 ? 31.442 -0.148 13.903 1.00 43.42 ? ? ? ? ? ? 40 LYS H CE 1 +ATOM 1933 N NZ . LYS B 2 40 ? 30.172 -0.814 13.495 1.00 46.57 ? ? ? ? ? ? 40 LYS H NZ 1 +ATOM 1934 N N . PRO B 2 41 ? 36.856 0.918 11.073 1.00 41.77 ? ? ? ? ? ? 41 PRO H N 1 +ATOM 1935 C CA . PRO B 2 41 ? 38.288 1.071 11.365 1.00 44.35 ? ? ? ? ? ? 41 PRO H CA 1 +ATOM 1936 C C . PRO B 2 41 ? 38.836 -0.014 12.302 1.00 45.82 ? ? ? ? ? ? 41 PRO H C 1 +ATOM 1937 O O . PRO B 2 41 ? 38.252 -0.309 13.343 1.00 44.32 ? ? ? ? ? ? 41 PRO H O 1 +ATOM 1938 C CB . PRO B 2 41 ? 38.398 2.485 11.955 1.00 44.81 ? ? ? ? ? ? 41 PRO H CB 1 +ATOM 1939 C CG . PRO B 2 41 ? 36.973 3.008 12.068 1.00 44.19 ? ? ? ? ? ? 41 PRO H CG 1 +ATOM 1940 C CD . PRO B 2 41 ? 36.144 2.208 11.124 1.00 40.04 ? ? ? ? ? ? 41 PRO H CD 1 +ATOM 1941 N N . GLU B 2 42 ? 39.958 -0.605 11.905 1.00 51.10 ? ? ? ? ? ? 42 GLU H N 1 +ATOM 1942 C CA . GLU B 2 42 ? 40.606 -1.674 12.663 1.00 58.08 ? ? ? ? ? ? 42 GLU H CA 1 +ATOM 1943 C C . GLU B 2 42 ? 39.587 -2.656 13.257 1.00 59.14 ? ? ? ? ? ? 42 GLU H C 1 +ATOM 1944 O O . GLU B 2 42 ? 39.750 -3.132 14.382 1.00 61.21 ? ? ? ? ? ? 42 GLU H O 1 +ATOM 1945 C CB . GLU B 2 42 ? 41.506 -1.088 13.769 1.00 62.38 ? ? ? ? ? ? 42 GLU H CB 1 +ATOM 1946 C CG . GLU B 2 42 ? 42.647 -0.176 13.257 1.00 69.98 ? ? ? ? ? ? 42 GLU H CG 1 +ATOM 1947 C CD . GLU B 2 42 ? 44.061 -0.687 13.592 1.00 74.53 ? ? ? ? ? ? 42 GLU H CD 1 +ATOM 1948 O OE1 . GLU B 2 42 ? 44.373 -1.863 13.302 1.00 78.18 ? ? ? ? ? ? 42 GLU H OE1 1 +ATOM 1949 O OE2 . GLU B 2 42 ? 44.872 0.095 14.141 1.00 75.96 ? ? ? ? ? ? 42 GLU H OE2 1 +ATOM 1950 N N . GLN B 2 43 ? 38.545 -2.963 12.482 1.00 59.18 ? ? ? ? ? ? 43 GLN H N 1 +ATOM 1951 C CA . GLN B 2 43 ? 37.492 -3.893 12.904 1.00 56.37 ? ? ? ? ? ? 43 GLN H CA 1 +ATOM 1952 C C . GLN B 2 43 ? 37.324 -5.090 11.945 1.00 51.13 ? ? ? ? ? ? 43 GLN H C 1 +ATOM 1953 O O . GLN B 2 43 ? 38.230 -5.408 11.166 1.00 49.12 ? ? ? ? ? ? 43 GLN H O 1 +ATOM 1954 C CB . GLN B 2 43 ? 36.162 -3.142 13.035 1.00 59.46 ? ? ? ? ? ? 43 GLN H CB 1 +ATOM 1955 C CG . GLN B 2 43 ? 36.006 -2.390 14.349 1.00 64.87 ? ? ? ? ? ? 43 GLN H CG 1 +ATOM 1956 C CD . GLN B 2 43 ? 35.684 -3.313 15.507 1.00 68.65 ? ? ? ? ? ? 43 GLN H CD 1 +ATOM 1957 O OE1 . GLN B 2 43 ? 34.522 -3.660 15.736 1.00 70.04 ? ? ? ? ? ? 43 GLN H OE1 1 +ATOM 1958 N NE2 . GLN B 2 43 ? 36.714 -3.718 16.245 1.00 69.21 ? ? ? ? ? ? 43 GLN H NE2 1 +ATOM 1959 N N . GLY B 2 44 ? 36.163 -5.745 12.013 1.00 46.19 ? ? ? ? ? ? 44 GLY H N 1 +ATOM 1960 C CA . GLY B 2 44 ? 35.888 -6.895 11.161 1.00 39.38 ? ? ? ? ? ? 44 GLY H CA 1 +ATOM 1961 C C . GLY B 2 44 ? 34.993 -6.600 9.968 1.00 35.13 ? ? ? ? ? ? 44 GLY H C 1 +ATOM 1962 O O . GLY B 2 44 ? 34.724 -5.443 9.651 1.00 34.54 ? ? ? ? ? ? 44 GLY H O 1 +ATOM 1963 N N . LEU B 2 45 ? 34.512 -7.648 9.307 1.00 31.69 ? ? ? ? ? ? 45 LEU H N 1 +ATOM 1964 C CA . LEU B 2 45 ? 33.663 -7.477 8.130 1.00 28.08 ? ? ? ? ? ? 45 LEU H CA 1 +ATOM 1965 C C . LEU B 2 45 ? 32.176 -7.775 8.370 1.00 27.04 ? ? ? ? ? ? 45 LEU H C 1 +ATOM 1966 O O . LEU B 2 45 ? 31.829 -8.738 9.056 1.00 28.68 ? ? ? ? ? ? 45 LEU H O 1 +ATOM 1967 C CB . LEU B 2 45 ? 34.191 -8.358 6.995 1.00 24.67 ? ? ? ? ? ? 45 LEU H CB 1 +ATOM 1968 C CG . LEU B 2 45 ? 35.662 -8.201 6.597 1.00 21.70 ? ? ? ? ? ? 45 LEU H CG 1 +ATOM 1969 C CD1 . LEU B 2 45 ? 36.088 -9.407 5.778 1.00 22.10 ? ? ? ? ? ? 45 LEU H CD1 1 +ATOM 1970 C CD2 . LEU B 2 45 ? 35.848 -6.925 5.800 1.00 16.20 ? ? ? ? ? ? 45 LEU H CD2 1 +ATOM 1971 N N . GLU B 2 46 ? 31.304 -6.941 7.803 1.00 23.91 ? ? ? ? ? ? 46 GLU H N 1 +ATOM 1972 C CA . GLU B 2 46 ? 29.856 -7.117 7.943 1.00 23.29 ? ? ? ? ? ? 46 GLU H CA 1 +ATOM 1973 C C . GLU B 2 46 ? 29.123 -7.008 6.612 1.00 22.81 ? ? ? ? ? ? 46 GLU H C 1 +ATOM 1974 O O . GLU B 2 46 ? 29.228 -5.998 5.917 1.00 24.55 ? ? ? ? ? ? 46 GLU H O 1 +ATOM 1975 C CB . GLU B 2 46 ? 29.255 -6.063 8.878 1.00 26.01 ? ? ? ? ? ? 46 GLU H CB 1 +ATOM 1976 C CG . GLU B 2 46 ? 29.902 -5.940 10.249 1.00 31.58 ? ? ? ? ? ? 46 GLU H CG 1 +ATOM 1977 C CD . GLU B 2 46 ? 29.452 -4.683 10.986 1.00 33.96 ? ? ? ? ? ? 46 GLU H CD 1 +ATOM 1978 O OE1 . GLU B 2 46 ? 28.237 -4.543 11.246 1.00 31.81 ? ? ? ? ? ? 46 GLU H OE1 1 +ATOM 1979 O OE2 . GLU B 2 46 ? 30.314 -3.835 11.302 1.00 37.12 ? ? ? ? ? ? 46 GLU H OE2 1 +ATOM 1980 N N . TRP B 2 47 ? 28.363 -8.041 6.267 1.00 20.47 ? ? ? ? ? ? 47 TRP H N 1 +ATOM 1981 C CA . TRP B 2 47 ? 27.586 -8.035 5.035 1.00 19.41 ? ? ? ? ? ? 47 TRP H CA 1 +ATOM 1982 C C . TRP B 2 47 ? 26.387 -7.106 5.258 1.00 19.53 ? ? ? ? ? ? 47 TRP H C 1 +ATOM 1983 O O . TRP B 2 47 ? 25.719 -7.189 6.282 1.00 20.57 ? ? ? ? ? ? 47 TRP H O 1 +ATOM 1984 C CB . TRP B 2 47 ? 27.123 -9.455 4.723 1.00 18.45 ? ? ? ? ? ? 47 TRP H CB 1 +ATOM 1985 C CG . TRP B 2 47 ? 26.108 -9.548 3.649 1.00 16.28 ? ? ? ? ? ? 47 TRP H CG 1 +ATOM 1986 C CD1 . TRP B 2 47 ? 26.335 -9.511 2.313 1.00 14.91 ? ? ? ? ? ? 47 TRP H CD1 1 +ATOM 1987 C CD2 . TRP B 2 47 ? 24.690 -9.704 3.817 1.00 17.28 ? ? ? ? ? ? 47 TRP H CD2 1 +ATOM 1988 N NE1 . TRP B 2 47 ? 25.150 -9.633 1.631 1.00 16.52 ? ? ? ? ? ? 47 TRP H NE1 1 +ATOM 1989 C CE2 . TRP B 2 47 ? 24.125 -9.753 2.530 1.00 13.23 ? ? ? ? ? ? 47 TRP H CE2 1 +ATOM 1990 C CE3 . TRP B 2 47 ? 23.846 -9.806 4.934 1.00 18.03 ? ? ? ? ? ? 47 TRP H CE3 1 +ATOM 1991 C CZ2 . TRP B 2 47 ? 22.746 -9.900 2.318 1.00 16.33 ? ? ? ? ? ? 47 TRP H CZ2 1 +ATOM 1992 C CZ3 . TRP B 2 47 ? 22.472 -9.950 4.726 1.00 13.11 ? ? ? ? ? ? 47 TRP H CZ3 1 +ATOM 1993 C CH2 . TRP B 2 47 ? 21.940 -9.996 3.425 1.00 14.68 ? ? ? ? ? ? 47 TRP H CH2 1 +ATOM 1994 N N . ILE B 2 48 ? 26.115 -6.221 4.306 1.00 18.96 ? ? ? ? ? ? 48 ILE H N 1 +ATOM 1995 C CA . ILE B 2 48 ? 25.003 -5.291 4.453 1.00 18.93 ? ? ? ? ? ? 48 ILE H CA 1 +ATOM 1996 C C . ILE B 2 48 ? 23.761 -5.694 3.690 1.00 18.04 ? ? ? ? ? ? 48 ILE H C 1 +ATOM 1997 O O . ILE B 2 48 ? 22.712 -5.880 4.272 1.00 19.12 ? ? ? ? ? ? 48 ILE H O 1 +ATOM 1998 C CB . ILE B 2 48 ? 25.373 -3.871 3.982 1.00 20.37 ? ? ? ? ? ? 48 ILE H CB 1 +ATOM 1999 C CG1 . ILE B 2 48 ? 26.686 -3.425 4.627 1.00 19.31 ? ? ? ? ? ? 48 ILE H CG1 1 +ATOM 2000 C CG2 . ILE B 2 48 ? 24.229 -2.918 4.295 1.00 18.80 ? ? ? ? ? ? 48 ILE H CG2 1 +ATOM 2001 C CD1 . ILE B 2 48 ? 27.372 -2.269 3.915 1.00 22.25 ? ? ? ? ? ? 48 ILE H CD1 1 +ATOM 2002 N N . ALA B 2 49 ? 23.872 -5.802 2.375 1.00 20.39 ? ? ? ? ? ? 49 ALA H N 1 +ATOM 2003 C CA . ALA B 2 49 ? 22.726 -6.172 1.559 1.00 20.41 ? ? ? ? ? ? 49 ALA H CA 1 +ATOM 2004 C C . ALA B 2 49 ? 23.173 -6.920 0.320 1.00 19.98 ? ? ? ? ? ? 49 ALA H C 1 +ATOM 2005 O O . ALA B 2 49 ? 24.343 -6.873 -0.061 1.00 20.25 ? ? ? ? ? ? 49 ALA H O 1 +ATOM 2006 C CB . ALA B 2 49 ? 21.943 -4.930 1.155 1.00 18.10 ? ? ? ? ? ? 49 ALA H CB 1 +ATOM 2007 N N . GLN B 2 50 ? 22.219 -7.604 -0.297 1.00 20.40 ? ? ? ? ? ? 50 GLN H N 1 +ATOM 2008 C CA . GLN B 2 50 ? 22.446 -8.383 -1.501 1.00 20.35 ? ? ? ? ? ? 50 GLN H CA 1 +ATOM 2009 C C . GLN B 2 50 ? 21.357 -8.023 -2.514 1.00 21.76 ? ? ? ? ? ? 50 GLN H C 1 +ATOM 2010 O O . GLN B 2 50 ? 20.231 -7.695 -2.131 1.00 22.43 ? ? ? ? ? ? 50 GLN H O 1 +ATOM 2011 C CB . GLN B 2 50 ? 22.368 -9.875 -1.163 1.00 17.93 ? ? ? ? ? ? 50 GLN H CB 1 +ATOM 2012 C CG . GLN B 2 50 ? 22.122 -10.791 -2.356 1.00 22.13 ? ? ? ? ? ? 50 GLN H CG 1 +ATOM 2013 C CD . GLN B 2 50 ? 21.646 -12.174 -1.938 1.00 19.07 ? ? ? ? ? ? 50 GLN H CD 1 +ATOM 2014 O OE1 . GLN B 2 50 ? 20.554 -12.591 -2.293 1.00 21.66 ? ? ? ? ? ? 50 GLN H OE1 1 +ATOM 2015 N NE2 . GLN B 2 50 ? 22.476 -12.891 -1.185 1.00 18.08 ? ? ? ? ? ? 50 GLN H NE2 1 +ATOM 2016 N N . ILE B 2 51 ? 21.698 -8.051 -3.801 1.00 20.24 ? ? ? ? ? ? 51 ILE H N 1 +ATOM 2017 C CA . ILE B 2 51 ? 20.713 -7.779 -4.847 1.00 18.55 ? ? ? ? ? ? 51 ILE H CA 1 +ATOM 2018 C C . ILE B 2 51 ? 20.923 -8.620 -6.091 1.00 16.32 ? ? ? ? ? ? 51 ILE H C 1 +ATOM 2019 O O . ILE B 2 51 ? 22.049 -8.868 -6.515 1.00 15.85 ? ? ? ? ? ? 51 ILE H O 1 +ATOM 2020 C CB . ILE B 2 51 ? 20.671 -6.278 -5.289 1.00 18.57 ? ? ? ? ? ? 51 ILE H CB 1 +ATOM 2021 C CG1 . ILE B 2 51 ? 19.339 -6.001 -6.001 1.00 17.24 ? ? ? ? ? ? 51 ILE H CG1 1 +ATOM 2022 C CG2 . ILE B 2 51 ? 21.826 -5.952 -6.211 1.00 15.81 ? ? ? ? ? ? 51 ILE H CG2 1 +ATOM 2023 C CD1 . ILE B 2 51 ? 19.165 -4.592 -6.504 1.00 16.62 ? ? ? ? ? ? 51 ILE H CD1 1 +ATOM 2024 N N . ASP B 2 52 ? 19.817 -9.076 -6.657 1.00 19.45 ? ? ? ? ? ? 52 ASP H N 1 +ATOM 2025 C CA . ASP B 2 52 ? 19.838 -9.857 -7.886 1.00 20.62 ? ? ? ? ? ? 52 ASP H CA 1 +ATOM 2026 C C . ASP B 2 52 ? 19.432 -8.876 -8.997 1.00 21.93 ? ? ? ? ? ? 52 ASP H C 1 +ATOM 2027 O O . ASP B 2 52 ? 18.249 -8.596 -9.180 1.00 25.24 ? ? ? ? ? ? 52 ASP H O 1 +ATOM 2028 C CB . ASP B 2 52 ? 18.832 -10.999 -7.779 1.00 21.11 ? ? ? ? ? ? 52 ASP H CB 1 +ATOM 2029 C CG . ASP B 2 52 ? 18.764 -11.825 -9.032 1.00 25.20 ? ? ? ? ? ? 52 ASP H CG 1 +ATOM 2030 O OD1 . ASP B 2 52 ? 19.487 -11.490 -9.995 1.00 29.91 ? ? ? ? ? ? 52 ASP H OD1 1 +ATOM 2031 O OD2 . ASP B 2 52 ? 17.984 -12.803 -9.055 1.00 25.33 ? ? ? ? ? ? 52 ASP H OD2 1 +ATOM 2032 N N . PRO B 2 53 A 20.412 -8.334 -9.744 1.00 20.78 ? ? ? ? ? ? 52 PRO H N 1 +ATOM 2033 C CA . PRO B 2 53 A 20.156 -7.376 -10.826 1.00 21.65 ? ? ? ? ? ? 52 PRO H CA 1 +ATOM 2034 C C . PRO B 2 53 A 19.193 -7.832 -11.920 1.00 26.13 ? ? ? ? ? ? 52 PRO H C 1 +ATOM 2035 O O . PRO B 2 53 A 18.676 -7.008 -12.684 1.00 25.95 ? ? ? ? ? ? 52 PRO H O 1 +ATOM 2036 C CB . PRO B 2 53 A 21.548 -7.078 -11.371 1.00 19.53 ? ? ? ? ? ? 52 PRO H CB 1 +ATOM 2037 C CG . PRO B 2 53 A 22.465 -7.420 -10.251 1.00 16.19 ? ? ? ? ? ? 52 PRO H CG 1 +ATOM 2038 C CD . PRO B 2 53 A 21.850 -8.609 -9.606 1.00 15.87 ? ? ? ? ? ? 52 PRO H CD 1 +ATOM 2039 N N . ALA B 2 54 ? 18.947 -9.137 -11.991 1.00 27.20 ? ? ? ? ? ? 53 ALA H N 1 +ATOM 2040 C CA . ALA B 2 54 ? 18.043 -9.679 -12.993 1.00 27.59 ? ? ? ? ? ? 53 ALA H CA 1 +ATOM 2041 C C . ALA B 2 54 ? 16.576 -9.409 -12.659 1.00 27.54 ? ? ? ? ? ? 53 ALA H C 1 +ATOM 2042 O O . ALA B 2 54 ? 15.750 -9.287 -13.560 1.00 27.65 ? ? ? ? ? ? 53 ALA H O 1 +ATOM 2043 C CB . ALA B 2 54 ? 18.276 -11.171 -13.152 1.00 30.41 ? ? ? ? ? ? 53 ALA H CB 1 +ATOM 2044 N N . ASN B 2 55 ? 16.237 -9.324 -11.376 1.00 27.22 ? ? ? ? ? ? 54 ASN H N 1 +ATOM 2045 C CA . ASN B 2 55 ? 14.856 -9.041 -11.022 1.00 27.74 ? ? ? ? ? ? 54 ASN H CA 1 +ATOM 2046 C C . ASN B 2 55 ? 14.694 -7.964 -9.952 1.00 29.88 ? ? ? ? ? ? 54 ASN H C 1 +ATOM 2047 O O . ASN B 2 55 ? 13.582 -7.660 -9.529 1.00 31.60 ? ? ? ? ? ? 54 ASN H O 1 +ATOM 2048 C CB . ASN B 2 55 ? 14.124 -10.328 -10.619 1.00 31.47 ? ? ? ? ? ? 54 ASN H CB 1 +ATOM 2049 C CG . ASN B 2 55 ? 14.794 -11.051 -9.494 1.00 34.68 ? ? ? ? ? ? 54 ASN H CG 1 +ATOM 2050 O OD1 . ASN B 2 55 ? 15.497 -10.446 -8.694 1.00 40.57 ? ? ? ? ? ? 54 ASN H OD1 1 +ATOM 2051 N ND2 . ASN B 2 55 ? 14.580 -12.358 -9.418 1.00 35.76 ? ? ? ? ? ? 54 ASN H ND2 1 +ATOM 2052 N N . GLY B 2 56 ? 15.805 -7.374 -9.526 1.00 30.15 ? ? ? ? ? ? 55 GLY H N 1 +ATOM 2053 C CA . GLY B 2 56 ? 15.747 -6.316 -8.535 1.00 28.67 ? ? ? ? ? ? 55 GLY H CA 1 +ATOM 2054 C C . GLY B 2 56 ? 15.468 -6.749 -7.108 1.00 32.66 ? ? ? ? ? ? 55 GLY H C 1 +ATOM 2055 O O . GLY B 2 56 ? 15.250 -5.902 -6.233 1.00 33.32 ? ? ? ? ? ? 55 GLY H O 1 +ATOM 2056 N N . ASN B 2 57 ? 15.479 -8.056 -6.857 1.00 32.83 ? ? ? ? ? ? 56 ASN H N 1 +ATOM 2057 C CA . ASN B 2 57 ? 15.216 -8.565 -5.514 1.00 31.56 ? ? ? ? ? ? 56 ASN H CA 1 +ATOM 2058 C C . ASN B 2 57 ? 16.402 -8.333 -4.594 1.00 29.60 ? ? ? ? ? ? 56 ASN H C 1 +ATOM 2059 O O . ASN B 2 57 ? 17.550 -8.501 -5.001 1.00 25.73 ? ? ? ? ? ? 56 ASN H O 1 +ATOM 2060 C CB . ASN B 2 57 ? 14.871 -10.050 -5.568 1.00 35.79 ? ? ? ? ? ? 56 ASN H CB 1 +ATOM 2061 C CG . ASN B 2 57 ? 13.472 -10.298 -6.089 1.00 39.57 ? ? ? ? ? ? 56 ASN H CG 1 +ATOM 2062 O OD1 . ASN B 2 57 ? 12.586 -9.444 -5.970 1.00 43.41 ? ? ? ? ? ? 56 ASN H OD1 1 +ATOM 2063 N ND2 . ASN B 2 57 ? 13.263 -11.471 -6.676 1.00 44.20 ? ? ? ? ? ? 56 ASN H ND2 1 +ATOM 2064 N N . THR B 2 58 ? 16.105 -7.958 -3.349 1.00 30.13 ? ? ? ? ? ? 57 THR H N 1 +ATOM 2065 C CA . THR B 2 58 ? 17.127 -7.653 -2.356 1.00 28.01 ? ? ? ? ? ? 57 THR H CA 1 +ATOM 2066 C C . THR B 2 58 ? 17.000 -8.406 -1.039 1.00 29.41 ? ? ? ? ? ? 57 THR H C 1 +ATOM 2067 O O . THR B 2 58 ? 15.929 -8.900 -0.691 1.00 29.69 ? ? ? ? ? ? 57 THR H O 1 +ATOM 2068 C CB . THR B 2 58 ? 17.109 -6.162 -2.007 1.00 25.40 ? ? ? ? ? ? 57 THR H CB 1 +ATOM 2069 O OG1 . THR B 2 58 ? 15.815 -5.813 -1.509 1.00 24.60 ? ? ? ? ? ? 57 THR H OG1 1 +ATOM 2070 C CG2 . THR B 2 58 ? 17.399 -5.327 -3.221 1.00 23.69 ? ? ? ? ? ? 57 THR H CG2 1 +ATOM 2071 N N . LYS B 2 59 ? 18.119 -8.471 -0.321 1.00 29.24 ? ? ? ? ? ? 58 LYS H N 1 +ATOM 2072 C CA . LYS B 2 59 ? 18.225 -9.101 0.998 1.00 29.17 ? ? ? ? ? ? 58 LYS H CA 1 +ATOM 2073 C C . LYS B 2 59 ? 19.009 -8.113 1.870 1.00 26.47 ? ? ? ? ? ? 58 LYS H C 1 +ATOM 2074 O O . LYS B 2 59 ? 19.984 -7.523 1.416 1.00 28.29 ? ? ? ? ? ? 58 LYS H O 1 +ATOM 2075 C CB . LYS B 2 59 ? 19.009 -10.415 0.919 1.00 32.27 ? ? ? ? ? ? 58 LYS H CB 1 +ATOM 2076 C CG . LYS B 2 59 ? 18.217 -11.621 0.439 1.00 36.61 ? ? ? ? ? ? 58 LYS H CG 1 +ATOM 2077 C CD . LYS B 2 59 ? 19.101 -12.865 0.412 1.00 40.96 ? ? ? ? ? ? 58 LYS H CD 1 +ATOM 2078 C CE . LYS B 2 59 ? 18.317 -14.119 0.051 1.00 42.83 ? ? ? ? ? ? 58 LYS H CE 1 +ATOM 2079 N NZ . LYS B 2 59 ? 18.979 -15.340 0.596 1.00 45.83 ? ? ? ? ? ? 58 LYS H NZ 1 +ATOM 2080 N N . TYR B 2 60 ? 18.585 -7.929 3.113 1.00 24.88 ? ? ? ? ? ? 59 TYR H N 1 +ATOM 2081 C CA . TYR B 2 60 ? 19.262 -7.006 4.013 1.00 25.54 ? ? ? ? ? ? 59 TYR H CA 1 +ATOM 2082 C C . TYR B 2 60 ? 19.506 -7.631 5.376 1.00 26.49 ? ? ? ? ? ? 59 TYR H C 1 +ATOM 2083 O O . TYR B 2 60 ? 18.716 -8.439 5.852 1.00 28.99 ? ? ? ? ? ? 59 TYR H O 1 +ATOM 2084 C CB . TYR B 2 60 ? 18.413 -5.744 4.247 1.00 26.27 ? ? ? ? ? ? 59 TYR H CB 1 +ATOM 2085 C CG . TYR B 2 60 ? 18.249 -4.825 3.064 1.00 25.43 ? ? ? ? ? ? 59 TYR H CG 1 +ATOM 2086 C CD1 . TYR B 2 60 ? 19.202 -3.853 2.768 1.00 25.05 ? ? ? ? ? ? 59 TYR H CD1 1 +ATOM 2087 C CD2 . TYR B 2 60 ? 17.142 -4.932 2.233 1.00 23.67 ? ? ? ? ? ? 59 TYR H CD2 1 +ATOM 2088 C CE1 . TYR B 2 60 ? 19.053 -3.006 1.659 1.00 22.20 ? ? ? ? ? ? 59 TYR H CE1 1 +ATOM 2089 C CE2 . TYR B 2 60 ? 16.985 -4.096 1.129 1.00 25.73 ? ? ? ? ? ? 59 TYR H CE2 1 +ATOM 2090 C CZ . TYR B 2 60 ? 17.939 -3.140 0.846 1.00 19.00 ? ? ? ? ? ? 59 TYR H CZ 1 +ATOM 2091 O OH . TYR B 2 60 ? 17.773 -2.335 -0.258 1.00 20.78 ? ? ? ? ? ? 59 TYR H OH 1 +ATOM 2092 N N . ASP B 2 61 ? 20.605 -7.259 6.013 1.00 27.11 ? ? ? ? ? ? 60 ASP H N 1 +ATOM 2093 C CA . ASP B 2 61 ? 20.844 -7.744 7.352 1.00 30.02 ? ? ? ? ? ? 60 ASP H CA 1 +ATOM 2094 C C . ASP B 2 61 ? 19.927 -6.836 8.172 1.00 32.32 ? ? ? ? ? ? 60 ASP H C 1 +ATOM 2095 O O . ASP B 2 61 ? 20.005 -5.612 8.068 1.00 33.51 ? ? ? ? ? ? 60 ASP H O 1 +ATOM 2096 C CB . ASP B 2 61 ? 22.292 -7.532 7.769 1.00 27.97 ? ? ? ? ? ? 60 ASP H CB 1 +ATOM 2097 C CG . ASP B 2 61 ? 22.578 -8.104 9.137 1.00 30.71 ? ? ? ? ? ? 60 ASP H CG 1 +ATOM 2098 O OD1 . ASP B 2 61 ? 21.710 -7.971 10.021 1.00 34.87 ? ? ? ? ? ? 60 ASP H OD1 1 +ATOM 2099 O OD2 . ASP B 2 61 ? 23.658 -8.693 9.331 1.00 33.03 ? ? ? ? ? ? 60 ASP H OD2 1 +ATOM 2100 N N . PRO B 2 62 ? 19.033 -7.420 8.981 1.00 33.87 ? ? ? ? ? ? 61 PRO H N 1 +ATOM 2101 C CA . PRO B 2 62 ? 18.101 -6.643 9.808 1.00 35.73 ? ? ? ? ? ? 61 PRO H CA 1 +ATOM 2102 C C . PRO B 2 62 ? 18.723 -5.481 10.599 1.00 35.34 ? ? ? ? ? ? 61 PRO H C 1 +ATOM 2103 O O . PRO B 2 62 ? 18.032 -4.522 10.943 1.00 33.14 ? ? ? ? ? ? 61 PRO H O 1 +ATOM 2104 C CB . PRO B 2 62 ? 17.472 -7.695 10.730 1.00 37.23 ? ? ? ? ? ? 61 PRO H CB 1 +ATOM 2105 C CG . PRO B 2 62 ? 18.324 -8.931 10.566 1.00 35.17 ? ? ? ? ? ? 61 PRO H CG 1 +ATOM 2106 C CD . PRO B 2 62 ? 18.855 -8.865 9.180 1.00 31.97 ? ? ? ? ? ? 61 PRO H CD 1 +ATOM 2107 N N . LYS B 2 63 ? 20.019 -5.577 10.885 1.00 35.49 ? ? ? ? ? ? 62 LYS H N 1 +ATOM 2108 C CA . LYS B 2 63 ? 20.726 -4.542 11.634 1.00 35.56 ? ? ? ? ? ? 62 LYS H CA 1 +ATOM 2109 C C . LYS B 2 63 ? 20.815 -3.233 10.848 1.00 37.36 ? ? ? ? ? ? 62 LYS H C 1 +ATOM 2110 O O . LYS B 2 63 ? 20.909 -2.161 11.438 1.00 37.67 ? ? ? ? ? ? 62 LYS H O 1 +ATOM 2111 C CB . LYS B 2 63 ? 22.129 -5.032 12.006 1.00 36.02 ? ? ? ? ? ? 62 LYS H CB 1 +ATOM 2112 C CG . LYS B 2 63 ? 22.131 -6.080 13.114 1.00 40.81 ? ? ? ? ? ? 62 LYS H CG 1 +ATOM 2113 C CD . LYS B 2 63 ? 23.052 -7.249 12.791 1.00 44.59 ? ? ? ? ? ? 62 LYS H CD 1 +ATOM 2114 C CE . LYS B 2 63 ? 22.373 -8.596 13.058 1.00 47.24 ? ? ? ? ? ? 62 LYS H CE 1 +ATOM 2115 N NZ . LYS B 2 63 ? 23.224 -9.749 12.614 1.00 49.11 ? ? ? ? ? ? 62 LYS H NZ 1 +ATOM 2116 N N . PHE B 2 64 ? 20.796 -3.324 9.519 1.00 40.27 ? ? ? ? ? ? 63 PHE H N 1 +ATOM 2117 C CA . PHE B 2 64 ? 20.847 -2.141 8.658 1.00 42.60 ? ? ? ? ? ? 63 PHE H CA 1 +ATOM 2118 C C . PHE B 2 64 ? 19.411 -1.887 8.222 1.00 47.68 ? ? ? ? ? ? 63 PHE H C 1 +ATOM 2119 O O . PHE B 2 64 ? 19.100 -1.651 7.051 1.00 47.15 ? ? ? ? ? ? 63 PHE H O 1 +ATOM 2120 C CB . PHE B 2 64 ? 21.756 -2.393 7.452 1.00 36.85 ? ? ? ? ? ? 63 PHE H CB 1 +ATOM 2121 C CG . PHE B 2 64 ? 23.182 -2.685 7.826 1.00 28.24 ? ? ? ? ? ? 63 PHE H CG 1 +ATOM 2122 C CD1 . PHE B 2 64 ? 24.051 -1.656 8.153 1.00 23.83 ? ? ? ? ? ? 63 PHE H CD1 1 +ATOM 2123 C CD2 . PHE B 2 64 ? 23.643 -3.994 7.885 1.00 23.95 ? ? ? ? ? ? 63 PHE H CD2 1 +ATOM 2124 C CE1 . PHE B 2 64 ? 25.359 -1.927 8.538 1.00 24.09 ? ? ? ? ? ? 63 PHE H CE1 1 +ATOM 2125 C CE2 . PHE B 2 64 ? 24.943 -4.272 8.265 1.00 19.55 ? ? ? ? ? ? 63 PHE H CE2 1 +ATOM 2126 C CZ . PHE B 2 64 ? 25.805 -3.239 8.594 1.00 25.80 ? ? ? ? ? ? 63 PHE H CZ 1 +ATOM 2127 N N . GLN B 2 65 ? 18.543 -1.957 9.220 1.00 53.44 ? ? ? ? ? ? 64 GLN H N 1 +ATOM 2128 C CA . GLN B 2 65 ? 17.112 -1.771 9.070 1.00 54.74 ? ? ? ? ? ? 64 GLN H CA 1 +ATOM 2129 C C . GLN B 2 65 ? 16.746 -0.485 8.361 1.00 50.87 ? ? ? ? ? ? 64 GLN H C 1 +ATOM 2130 O O . GLN B 2 65 ? 16.754 0.586 8.959 1.00 51.83 ? ? ? ? ? ? 64 GLN H O 1 +ATOM 2131 C CB . GLN B 2 65 ? 16.453 -1.787 10.451 1.00 59.94 ? ? ? ? ? ? 64 GLN H CB 1 +ATOM 2132 C CG . GLN B 2 65 ? 17.449 -1.820 11.613 1.00 64.89 ? ? ? ? ? ? 64 GLN H CG 1 +ATOM 2133 C CD . GLN B 2 65 ? 17.691 -0.454 12.228 1.00 69.88 ? ? ? ? ? ? 64 GLN H CD 1 +ATOM 2134 O OE1 . GLN B 2 65 ? 17.958 -0.335 13.425 1.00 73.28 ? ? ? ? ? ? 64 GLN H OE1 1 +ATOM 2135 N NE2 . GLN B 2 65 ? 17.597 0.589 11.407 1.00 71.38 ? ? ? ? ? ? 64 GLN H NE2 1 +ATOM 2136 N N . GLY B 2 66 ? 16.424 -0.596 7.082 1.00 48.72 ? ? ? ? ? ? 65 GLY H N 1 +ATOM 2137 C CA . GLY B 2 66 ? 16.023 0.577 6.332 1.00 48.88 ? ? ? ? ? ? 65 GLY H CA 1 +ATOM 2138 C C . GLY B 2 66 ? 16.835 1.829 6.592 1.00 46.31 ? ? ? ? ? ? 65 GLY H C 1 +ATOM 2139 O O . GLY B 2 66 ? 16.297 2.893 6.902 1.00 47.12 ? ? ? ? ? ? 65 GLY H O 1 +ATOM 2140 N N . LYS B 2 67 ? 18.147 1.682 6.501 1.00 42.56 ? ? ? ? ? ? 66 LYS H N 1 +ATOM 2141 C CA . LYS B 2 67 ? 19.066 2.791 6.650 1.00 36.27 ? ? ? ? ? ? 66 LYS H CA 1 +ATOM 2142 C C . LYS B 2 67 ? 19.923 2.621 5.400 1.00 32.72 ? ? ? ? ? ? 66 LYS H C 1 +ATOM 2143 O O . LYS B 2 67 ? 20.478 3.577 4.857 1.00 27.32 ? ? ? ? ? ? 66 LYS H O 1 +ATOM 2144 C CB . LYS B 2 67 ? 19.902 2.642 7.916 1.00 40.24 ? ? ? ? ? ? 66 LYS H CB 1 +ATOM 2145 C CG . LYS B 2 67 ? 19.804 3.846 8.844 1.00 43.49 ? ? ? ? ? ? 66 LYS H CG 1 +ATOM 2146 C CD . LYS B 2 67 ? 21.148 4.166 9.509 1.00 48.50 ? ? ? ? ? ? 66 LYS H CD 1 +ATOM 2147 C CE . LYS B 2 67 ? 20.966 4.531 10.986 1.00 49.03 ? ? ? ? ? ? 66 LYS H CE 1 +ATOM 2148 N NZ . LYS B 2 67 ? 21.761 5.726 11.396 1.00 51.33 ? ? ? ? ? ? 66 LYS H NZ 1 +ATOM 2149 N N . ALA B 2 68 ? 19.984 1.374 4.940 1.00 28.00 ? ? ? ? ? ? 67 ALA H N 1 +ATOM 2150 C CA . ALA B 2 68 ? 20.726 1.005 3.746 1.00 26.18 ? ? ? ? ? ? 67 ALA H CA 1 +ATOM 2151 C C . ALA B 2 68 ? 19.726 0.562 2.689 1.00 25.14 ? ? ? ? ? ? 67 ALA H C 1 +ATOM 2152 O O . ALA B 2 68 ? 18.781 -0.165 2.990 1.00 26.09 ? ? ? ? ? ? 67 ALA H O 1 +ATOM 2153 C CB . ALA B 2 68 ? 21.692 -0.128 4.058 1.00 24.46 ? ? ? ? ? ? 67 ALA H CB 1 +ATOM 2154 N N . THR B 2 69 ? 19.921 1.030 1.460 1.00 25.72 ? ? ? ? ? ? 68 THR H N 1 +ATOM 2155 C CA . THR B 2 69 ? 19.058 0.669 0.333 1.00 26.05 ? ? ? ? ? ? 68 THR H CA 1 +ATOM 2156 C C . THR B 2 69 ? 19.966 0.273 -0.815 1.00 26.40 ? ? ? ? ? ? 68 THR H C 1 +ATOM 2157 O O . THR B 2 69 ? 20.765 1.079 -1.281 1.00 25.92 ? ? ? ? ? ? 68 THR H O 1 +ATOM 2158 C CB . THR B 2 69 ? 18.169 1.851 -0.180 1.00 25.94 ? ? ? ? ? ? 68 THR H CB 1 +ATOM 2159 O OG1 . THR B 2 69 ? 17.240 2.255 0.834 1.00 23.45 ? ? ? ? ? ? 68 THR H OG1 1 +ATOM 2160 C CG2 . THR B 2 69 ? 17.379 1.418 -1.413 1.00 23.80 ? ? ? ? ? ? 68 THR H CG2 1 +ATOM 2161 N N . ILE B 2 70 ? 19.845 -0.968 -1.269 1.00 27.65 ? ? ? ? ? ? 69 ILE H N 1 +ATOM 2162 C CA . ILE B 2 70 ? 20.664 -1.447 -2.381 1.00 27.28 ? ? ? ? ? ? 69 ILE H CA 1 +ATOM 2163 C C . ILE B 2 70 ? 19.846 -1.447 -3.684 1.00 24.93 ? ? ? ? ? ? 69 ILE H C 1 +ATOM 2164 O O . ILE B 2 70 ? 18.672 -1.823 -3.690 1.00 23.93 ? ? ? ? ? ? 69 ILE H O 1 +ATOM 2165 C CB . ILE B 2 70 ? 21.225 -2.877 -2.067 1.00 28.18 ? ? ? ? ? ? 69 ILE H CB 1 +ATOM 2166 C CG1 . ILE B 2 70 ? 22.419 -3.191 -2.969 1.00 27.27 ? ? ? ? ? ? 69 ILE H CG1 1 +ATOM 2167 C CG2 . ILE B 2 70 ? 20.129 -3.920 -2.202 1.00 25.16 ? ? ? ? ? ? 69 ILE H CG2 1 +ATOM 2168 C CD1 . ILE B 2 70 ? 23.136 -4.483 -2.603 1.00 22.69 ? ? ? ? ? ? 69 ILE H CD1 1 +ATOM 2169 N N . THR B 2 71 ? 20.452 -0.967 -4.771 1.00 25.19 ? ? ? ? ? ? 70 THR H N 1 +ATOM 2170 C CA . THR B 2 71 ? 19.795 -0.929 -6.084 1.00 25.92 ? ? ? ? ? ? 70 THR H CA 1 +ATOM 2171 C C . THR B 2 71 ? 20.815 -1.302 -7.165 1.00 25.37 ? ? ? ? ? ? 70 THR H C 1 +ATOM 2172 O O . THR B 2 71 ? 22.008 -1.391 -6.896 1.00 28.92 ? ? ? ? ? ? 70 THR H O 1 +ATOM 2173 C CB . THR B 2 71 ? 19.177 0.480 -6.423 1.00 25.00 ? ? ? ? ? ? 70 THR H CB 1 +ATOM 2174 O OG1 . THR B 2 71 ? 20.145 1.510 -6.204 1.00 23.32 ? ? ? ? ? ? 70 THR H OG1 1 +ATOM 2175 C CG2 . THR B 2 71 ? 17.940 0.758 -5.570 1.00 18.86 ? ? ? ? ? ? 70 THR H CG2 1 +ATOM 2176 N N . ALA B 2 72 ? 20.357 -1.542 -8.385 1.00 25.62 ? ? ? ? ? ? 71 ALA H N 1 +ATOM 2177 C CA . ALA B 2 72 ? 21.286 -1.902 -9.449 1.00 26.25 ? ? ? ? ? ? 71 ALA H CA 1 +ATOM 2178 C C . ALA B 2 72 ? 20.745 -1.494 -10.802 1.00 28.02 ? ? ? ? ? ? 71 ALA H C 1 +ATOM 2179 O O . ALA B 2 72 ? 19.533 -1.482 -11.010 1.00 30.62 ? ? ? ? ? ? 71 ALA H O 1 +ATOM 2180 C CB . ALA B 2 72 ? 21.543 -3.403 -9.432 1.00 22.51 ? ? ? ? ? ? 71 ALA H CB 1 +ATOM 2181 N N . ASP B 2 73 ? 21.638 -1.153 -11.722 1.00 27.91 ? ? ? ? ? ? 72 ASP H N 1 +ATOM 2182 C CA . ASP B 2 73 ? 21.210 -0.782 -13.057 1.00 30.41 ? ? ? ? ? ? 72 ASP H CA 1 +ATOM 2183 C C . ASP B 2 73 ? 21.968 -1.604 -14.072 1.00 28.52 ? ? ? ? ? ? 72 ASP H C 1 +ATOM 2184 O O . ASP B 2 73 ? 23.140 -1.341 -14.337 1.00 31.50 ? ? ? ? ? ? 72 ASP H O 1 +ATOM 2185 C CB . ASP B 2 73 ? 21.467 0.690 -13.327 1.00 34.17 ? ? ? ? ? ? 72 ASP H CB 1 +ATOM 2186 C CG . ASP B 2 73 ? 21.061 1.081 -14.720 1.00 38.45 ? ? ? ? ? ? 72 ASP H CG 1 +ATOM 2187 O OD1 . ASP B 2 73 ? 19.843 1.170 -14.972 1.00 40.66 ? ? ? ? ? ? 72 ASP H OD1 1 +ATOM 2188 O OD2 . ASP B 2 73 ? 21.954 1.279 -15.565 1.00 41.54 ? ? ? ? ? ? 72 ASP H OD2 1 +ATOM 2189 N N . THR B 2 74 ? 21.297 -2.597 -14.643 1.00 27.70 ? ? ? ? ? ? 73 THR H N 1 +ATOM 2190 C CA . THR B 2 74 ? 21.935 -3.462 -15.622 1.00 28.79 ? ? ? ? ? ? 73 THR H CA 1 +ATOM 2191 C C . THR B 2 74 ? 22.460 -2.694 -16.827 1.00 30.96 ? ? ? ? ? ? 73 THR H C 1 +ATOM 2192 O O . THR B 2 74 ? 23.482 -3.077 -17.400 1.00 32.20 ? ? ? ? ? ? 73 THR H O 1 +ATOM 2193 C CB . THR B 2 74 ? 20.978 -4.569 -16.110 1.00 24.38 ? ? ? ? ? ? 73 THR H CB 1 +ATOM 2194 O OG1 . THR B 2 74 ? 19.728 -3.991 -16.491 1.00 29.89 ? ? ? ? ? ? 73 THR H OG1 1 +ATOM 2195 C CG2 . THR B 2 74 ? 20.732 -5.579 -15.014 1.00 25.74 ? ? ? ? ? ? 73 THR H CG2 1 +ATOM 2196 N N . SER B 2 75 ? 21.792 -1.601 -17.204 1.00 35.76 ? ? ? ? ? ? 74 SER H N 1 +ATOM 2197 C CA . SER B 2 75 ? 22.228 -0.822 -18.370 1.00 37.16 ? ? ? ? ? ? 74 SER H CA 1 +ATOM 2198 C C . SER B 2 75 ? 23.612 -0.202 -18.193 1.00 36.79 ? ? ? ? ? ? 74 SER H C 1 +ATOM 2199 O O . SER B 2 75 ? 24.386 -0.125 -19.151 1.00 36.25 ? ? ? ? ? ? 74 SER H O 1 +ATOM 2200 C CB . SER B 2 75 ? 21.209 0.270 -18.733 1.00 41.43 ? ? ? ? ? ? 74 SER H CB 1 +ATOM 2201 O OG . SER B 2 75 ? 20.391 0.627 -17.634 1.00 53.29 ? ? ? ? ? ? 74 SER H OG 1 +ATOM 2202 N N . SER B 2 76 ? 23.936 0.239 -16.979 1.00 33.71 ? ? ? ? ? ? 75 SER H N 1 +ATOM 2203 C CA . SER B 2 76 ? 25.258 0.814 -16.741 1.00 28.96 ? ? ? ? ? ? 75 SER H CA 1 +ATOM 2204 C C . SER B 2 76 ? 26.152 -0.210 -16.048 1.00 25.41 ? ? ? ? ? ? 75 SER H C 1 +ATOM 2205 O O . SER B 2 76 ? 27.303 0.075 -15.743 1.00 25.92 ? ? ? ? ? ? 75 SER H O 1 +ATOM 2206 C CB . SER B 2 76 ? 25.159 2.081 -15.889 1.00 25.37 ? ? ? ? ? ? 75 SER H CB 1 +ATOM 2207 O OG . SER B 2 76 ? 24.066 2.012 -14.999 1.00 28.77 ? ? ? ? ? ? 75 SER H OG 1 +ATOM 2208 N N . ASN B 2 77 ? 25.618 -1.405 -15.811 1.00 25.08 ? ? ? ? ? ? 76 ASN H N 1 +ATOM 2209 C CA . ASN B 2 77 ? 26.380 -2.465 -15.161 1.00 23.43 ? ? ? ? ? ? 76 ASN H CA 1 +ATOM 2210 C C . ASN B 2 77 ? 26.857 -1.949 -13.821 1.00 21.70 ? ? ? ? ? ? 76 ASN H C 1 +ATOM 2211 O O . ASN B 2 77 ? 27.989 -2.203 -13.405 1.00 20.06 ? ? ? ? ? ? 76 ASN H O 1 +ATOM 2212 C CB . ASN B 2 77 ? 27.591 -2.840 -16.015 1.00 23.09 ? ? ? ? ? ? 76 ASN H CB 1 +ATOM 2213 C CG . ASN B 2 77 ? 27.858 -4.324 -16.024 1.00 21.66 ? ? ? ? ? ? 76 ASN H CG 1 +ATOM 2214 O OD1 . ASN B 2 77 ? 26.937 -5.131 -15.936 1.00 23.97 ? ? ? ? ? ? 76 ASN H OD1 1 +ATOM 2215 N ND2 . ASN B 2 77 ? 29.124 -4.694 -16.137 1.00 22.61 ? ? ? ? ? ? 76 ASN H ND2 1 +ATOM 2216 N N . THR B 2 78 ? 25.977 -1.239 -13.133 1.00 22.19 ? ? ? ? ? ? 77 THR H N 1 +ATOM 2217 C CA . THR B 2 78 ? 26.344 -0.643 -11.859 1.00 21.82 ? ? ? ? ? ? 77 THR H CA 1 +ATOM 2218 C C . THR B 2 78 ? 25.420 -0.970 -10.699 1.00 22.20 ? ? ? ? ? ? 77 THR H C 1 +ATOM 2219 O O . THR B 2 78 ? 24.197 -1.041 -10.863 1.00 24.85 ? ? ? ? ? ? 77 THR H O 1 +ATOM 2220 C CB . THR B 2 78 ? 26.414 0.892 -12.002 1.00 20.42 ? ? ? ? ? ? 77 THR H CB 1 +ATOM 2221 O OG1 . THR B 2 78 ? 27.438 1.235 -12.938 1.00 23.09 ? ? ? ? ? ? 77 THR H OG1 1 +ATOM 2222 C CG2 . THR B 2 78 ? 26.729 1.544 -10.676 1.00 20.32 ? ? ? ? ? ? 77 THR H CG2 1 +ATOM 2223 N N . ALA B 2 79 ? 26.023 -1.171 -9.529 1.00 21.02 ? ? ? ? ? ? 78 ALA H N 1 +ATOM 2224 C CA . ALA B 2 79 ? 25.283 -1.447 -8.291 1.00 23.18 ? ? ? ? ? ? 78 ALA H CA 1 +ATOM 2225 C C . ALA B 2 79 ? 25.505 -0.263 -7.328 1.00 23.00 ? ? ? ? ? ? 78 ALA H C 1 +ATOM 2226 O O . ALA B 2 79 ? 26.595 0.327 -7.292 1.00 24.77 ? ? ? ? ? ? 78 ALA H O 1 +ATOM 2227 C CB . ALA B 2 79 ? 25.767 -2.752 -7.650 1.00 17.96 ? ? ? ? ? ? 78 ALA H CB 1 +ATOM 2228 N N . TYR B 2 80 ? 24.480 0.076 -6.551 1.00 22.16 ? ? ? ? ? ? 79 TYR H N 1 +ATOM 2229 C CA . TYR B 2 80 ? 24.569 1.201 -5.628 1.00 19.80 ? ? ? ? ? ? 79 TYR H CA 1 +ATOM 2230 C C . TYR B 2 80 ? 24.253 0.870 -4.185 1.00 17.84 ? ? ? ? ? ? 79 TYR H C 1 +ATOM 2231 O O . TYR B 2 80 ? 23.576 -0.109 -3.887 1.00 23.83 ? ? ? ? ? ? 79 TYR H O 1 +ATOM 2232 C CB . TYR B 2 80 ? 23.614 2.309 -6.068 1.00 22.47 ? ? ? ? ? ? 79 TYR H CB 1 +ATOM 2233 C CG . TYR B 2 80 ? 23.701 2.680 -7.527 1.00 23.62 ? ? ? ? ? ? 79 TYR H CG 1 +ATOM 2234 C CD1 . TYR B 2 80 ? 22.968 1.982 -8.484 1.00 24.16 ? ? ? ? ? ? 79 TYR H CD1 1 +ATOM 2235 C CD2 . TYR B 2 80 ? 24.498 3.746 -7.949 1.00 23.81 ? ? ? ? ? ? 79 TYR H CD2 1 +ATOM 2236 C CE1 . TYR B 2 80 ? 23.020 2.334 -9.837 1.00 28.63 ? ? ? ? ? ? 79 TYR H CE1 1 +ATOM 2237 C CE2 . TYR B 2 80 ? 24.559 4.109 -9.298 1.00 30.28 ? ? ? ? ? ? 79 TYR H CE2 1 +ATOM 2238 C CZ . TYR B 2 80 ? 23.814 3.397 -10.236 1.00 30.83 ? ? ? ? ? ? 79 TYR H CZ 1 +ATOM 2239 O OH . TYR B 2 80 ? 23.853 3.760 -11.567 1.00 34.74 ? ? ? ? ? ? 79 TYR H OH 1 +ATOM 2240 N N . LEU B 2 81 ? 24.752 1.712 -3.290 1.00 18.23 ? ? ? ? ? ? 80 LEU H N 1 +ATOM 2241 C CA . LEU B 2 81 ? 24.491 1.570 -1.865 1.00 15.91 ? ? ? ? ? ? 80 LEU H CA 1 +ATOM 2242 C C . LEU B 2 81 ? 24.121 2.954 -1.353 1.00 18.37 ? ? ? ? ? ? 80 LEU H C 1 +ATOM 2243 O O . LEU B 2 81 ? 24.935 3.866 -1.384 1.00 19.35 ? ? ? ? ? ? 80 LEU H O 1 +ATOM 2244 C CB . LEU B 2 81 ? 25.727 1.058 -1.115 1.00 16.54 ? ? ? ? ? ? 80 LEU H CB 1 +ATOM 2245 C CG . LEU B 2 81 ? 25.609 0.966 0.409 1.00 16.24 ? ? ? ? ? ? 80 LEU H CG 1 +ATOM 2246 C CD1 . LEU B 2 81 ? 24.676 -0.167 0.793 1.00 21.35 ? ? ? ? ? ? 80 LEU H CD1 1 +ATOM 2247 C CD2 . LEU B 2 81 ? 26.973 0.755 1.015 1.00 17.07 ? ? ? ? ? ? 80 LEU H CD2 1 +ATOM 2248 N N . HIS B 2 82 ? 22.878 3.109 -0.911 1.00 20.67 ? ? ? ? ? ? 81 HIS H N 1 +ATOM 2249 C CA . HIS B 2 82 ? 22.406 4.374 -0.372 1.00 19.73 ? ? ? ? ? ? 81 HIS H CA 1 +ATOM 2250 C C . HIS B 2 82 ? 22.305 4.249 1.147 1.00 18.59 ? ? ? ? ? ? 81 HIS H C 1 +ATOM 2251 O O . HIS B 2 82 ? 21.700 3.309 1.653 1.00 20.60 ? ? ? ? ? ? 81 HIS H O 1 +ATOM 2252 C CB . HIS B 2 82 ? 21.036 4.716 -0.949 1.00 21.94 ? ? ? ? ? ? 81 HIS H CB 1 +ATOM 2253 C CG . HIS B 2 82 ? 20.491 6.022 -0.461 1.00 27.40 ? ? ? ? ? ? 81 HIS H CG 1 +ATOM 2254 N ND1 . HIS B 2 82 ? 19.692 6.125 0.658 1.00 29.87 ? ? ? ? ? ? 81 HIS H ND1 1 +ATOM 2255 C CD2 . HIS B 2 82 ? 20.661 7.284 -0.918 1.00 26.57 ? ? ? ? ? ? 81 HIS H CD2 1 +ATOM 2256 C CE1 . HIS B 2 82 ? 19.396 7.394 0.868 1.00 27.29 ? ? ? ? ? ? 81 HIS H CE1 1 +ATOM 2257 N NE2 . HIS B 2 82 ? 19.972 8.117 -0.074 1.00 24.60 ? ? ? ? ? ? 81 HIS H NE2 1 +ATOM 2258 N N . LEU B 2 83 ? 22.899 5.195 1.864 1.00 18.08 ? ? ? ? ? ? 82 LEU H N 1 +ATOM 2259 C CA . LEU B 2 83 ? 22.886 5.194 3.326 1.00 18.51 ? ? ? ? ? ? 82 LEU H CA 1 +ATOM 2260 C C . LEU B 2 83 ? 22.313 6.503 3.860 1.00 22.03 ? ? ? ? ? ? 82 LEU H C 1 +ATOM 2261 O O . LEU B 2 83 ? 22.845 7.575 3.579 1.00 24.55 ? ? ? ? ? ? 82 LEU H O 1 +ATOM 2262 C CB . LEU B 2 83 ? 24.304 5.013 3.857 1.00 17.55 ? ? ? ? ? ? 82 LEU H CB 1 +ATOM 2263 C CG . LEU B 2 83 ? 25.070 3.799 3.339 1.00 19.30 ? ? ? ? ? ? 82 LEU H CG 1 +ATOM 2264 C CD1 . LEU B 2 83 ? 26.575 4.035 3.464 1.00 16.60 ? ? ? ? ? ? 82 LEU H CD1 1 +ATOM 2265 C CD2 . LEU B 2 83 ? 24.647 2.576 4.134 1.00 15.86 ? ? ? ? ? ? 82 LEU H CD2 1 +ATOM 2266 N N . SER B 2 84 A 21.234 6.411 4.634 1.00 24.39 ? ? ? ? ? ? 82 SER H N 1 +ATOM 2267 C CA . SER B 2 84 A 20.578 7.589 5.193 1.00 25.39 ? ? ? ? ? ? 82 SER H CA 1 +ATOM 2268 C C . SER B 2 84 A 20.869 7.805 6.683 1.00 27.99 ? ? ? ? ? ? 82 SER H C 1 +ATOM 2269 O O . SER B 2 84 A 21.389 6.920 7.365 1.00 26.42 ? ? ? ? ? ? 82 SER H O 1 +ATOM 2270 C CB . SER B 2 84 A 19.065 7.497 4.976 1.00 21.92 ? ? ? ? ? ? 82 SER H CB 1 +ATOM 2271 O OG . SER B 2 84 A 18.474 6.516 5.815 1.00 25.84 ? ? ? ? ? ? 82 SER H OG 1 +ATOM 2272 N N . SER B 2 85 B 20.531 8.999 7.170 1.00 29.47 ? ? ? ? ? ? 82 SER H N 1 +ATOM 2273 C CA . SER B 2 85 B 20.732 9.373 8.570 1.00 26.92 ? ? ? ? ? ? 82 SER H CA 1 +ATOM 2274 C C . SER B 2 85 B 22.116 8.972 9.039 1.00 24.32 ? ? ? ? ? ? 82 SER H C 1 +ATOM 2275 O O . SER B 2 85 B 22.266 8.249 10.021 1.00 24.32 ? ? ? ? ? ? 82 SER H O 1 +ATOM 2276 C CB . SER B 2 85 B 19.668 8.709 9.447 1.00 24.99 ? ? ? ? ? ? 82 SER H CB 1 +ATOM 2277 O OG . SER B 2 85 B 18.365 9.043 8.996 1.00 27.80 ? ? ? ? ? ? 82 SER H OG 1 +ATOM 2278 N N . LEU B 2 86 C 23.131 9.454 8.335 1.00 26.18 ? ? ? ? ? ? 82 LEU H N 1 +ATOM 2279 C CA . LEU B 2 86 C 24.502 9.104 8.673 1.00 25.08 ? ? ? ? ? ? 82 LEU H CA 1 +ATOM 2280 C C . LEU B 2 86 C 24.940 9.521 10.066 1.00 27.38 ? ? ? ? ? ? 82 LEU H C 1 +ATOM 2281 O O . LEU B 2 86 C 24.716 10.651 10.494 1.00 28.26 ? ? ? ? ? ? 82 LEU H O 1 +ATOM 2282 C CB . LEU B 2 86 C 25.459 9.676 7.633 1.00 20.83 ? ? ? ? ? ? 82 LEU H CB 1 +ATOM 2283 C CG . LEU B 2 86 C 25.285 9.055 6.246 1.00 16.68 ? ? ? ? ? ? 82 LEU H CG 1 +ATOM 2284 C CD1 . LEU B 2 86 C 26.125 9.805 5.244 1.00 16.16 ? ? ? ? ? ? 82 LEU H CD1 1 +ATOM 2285 C CD2 . LEU B 2 86 C 25.677 7.582 6.289 1.00 17.01 ? ? ? ? ? ? 82 LEU H CD2 1 +ATOM 2286 N N . THR B 2 87 ? 25.541 8.565 10.770 1.00 28.38 ? ? ? ? ? ? 83 THR H N 1 +ATOM 2287 C CA . THR B 2 87 ? 26.075 8.767 12.111 1.00 31.57 ? ? ? ? ? ? 83 THR H CA 1 +ATOM 2288 C C . THR B 2 87 ? 27.536 8.298 12.062 1.00 29.36 ? ? ? ? ? ? 83 THR H C 1 +ATOM 2289 O O . THR B 2 87 ? 27.987 7.798 11.036 1.00 26.44 ? ? ? ? ? ? 83 THR H O 1 +ATOM 2290 C CB . THR B 2 87 ? 25.284 7.960 13.179 1.00 32.47 ? ? ? ? ? ? 83 THR H CB 1 +ATOM 2291 O OG1 . THR B 2 87 ? 25.727 6.597 13.188 1.00 38.39 ? ? ? ? ? ? 83 THR H OG1 1 +ATOM 2292 C CG2 . THR B 2 87 ? 23.787 8.007 12.888 1.00 35.90 ? ? ? ? ? ? 83 THR H CG2 1 +ATOM 2293 N N . SER B 2 88 ? 28.275 8.462 13.152 1.00 28.63 ? ? ? ? ? ? 84 SER H N 1 +ATOM 2294 C CA . SER B 2 88 ? 29.672 8.056 13.164 1.00 31.72 ? ? ? ? ? ? 84 SER H CA 1 +ATOM 2295 C C . SER B 2 88 ? 29.878 6.544 13.103 1.00 34.08 ? ? ? ? ? ? 84 SER H C 1 +ATOM 2296 O O . SER B 2 88 ? 30.943 6.082 12.690 1.00 34.31 ? ? ? ? ? ? 84 SER H O 1 +ATOM 2297 C CB . SER B 2 88 ? 30.377 8.617 14.402 1.00 33.45 ? ? ? ? ? ? 84 SER H CB 1 +ATOM 2298 O OG . SER B 2 88 ? 29.982 7.927 15.573 1.00 34.77 ? ? ? ? ? ? 84 SER H OG 1 +ATOM 2299 N N . GLU B 2 89 ? 28.875 5.772 13.519 1.00 34.73 ? ? ? ? ? ? 85 GLU H N 1 +ATOM 2300 C CA . GLU B 2 89 ? 28.986 4.316 13.492 1.00 37.88 ? ? ? ? ? ? 85 GLU H CA 1 +ATOM 2301 C C . GLU B 2 89 ? 28.968 3.856 12.041 1.00 37.50 ? ? ? ? ? ? 85 GLU H C 1 +ATOM 2302 O O . GLU B 2 89 ? 29.244 2.695 11.734 1.00 34.80 ? ? ? ? ? ? 85 GLU H O 1 +ATOM 2303 C CB . GLU B 2 89 ? 27.823 3.682 14.251 1.00 45.86 ? ? ? ? ? ? 85 GLU H CB 1 +ATOM 2304 C CG . GLU B 2 89 ? 27.732 4.112 15.708 1.00 59.84 ? ? ? ? ? ? 85 GLU H CG 1 +ATOM 2305 C CD . GLU B 2 89 ? 27.412 2.951 16.640 1.00 66.85 ? ? ? ? ? ? 85 GLU H CD 1 +ATOM 2306 O OE1 . GLU B 2 89 ? 27.470 1.787 16.177 1.00 70.98 ? ? ? ? ? ? 85 GLU H OE1 1 +ATOM 2307 O OE2 . GLU B 2 89 ? 27.103 3.201 17.830 1.00 70.17 ? ? ? ? ? ? 85 GLU H OE2 1 +ATOM 2308 N N . ASP B 2 90 ? 28.646 4.798 11.156 1.00 35.93 ? ? ? ? ? ? 86 ASP H N 1 +ATOM 2309 C CA . ASP B 2 90 ? 28.579 4.560 9.720 1.00 32.96 ? ? ? ? ? ? 86 ASP H CA 1 +ATOM 2310 C C . ASP B 2 90 ? 29.933 4.781 9.030 1.00 32.19 ? ? ? ? ? ? 86 ASP H C 1 +ATOM 2311 O O . ASP B 2 90 ? 30.123 4.359 7.887 1.00 35.09 ? ? ? ? ? ? 86 ASP H O 1 +ATOM 2312 C CB . ASP B 2 90 ? 27.512 5.466 9.093 1.00 30.48 ? ? ? ? ? ? 86 ASP H CB 1 +ATOM 2313 C CG . ASP B 2 90 ? 26.095 4.997 9.395 1.00 29.45 ? ? ? ? ? ? 86 ASP H CG 1 +ATOM 2314 O OD1 . ASP B 2 90 ? 25.834 3.789 9.283 1.00 33.83 ? ? ? ? ? ? 86 ASP H OD1 1 +ATOM 2315 O OD2 . ASP B 2 90 ? 25.234 5.827 9.743 1.00 31.56 ? ? ? ? ? ? 86 ASP H OD2 1 +ATOM 2316 N N . SER B 2 91 ? 30.868 5.443 9.710 1.00 28.20 ? ? ? ? ? ? 87 SER H N 1 +ATOM 2317 C CA . SER B 2 91 ? 32.197 5.667 9.133 1.00 28.80 ? ? ? ? ? ? 87 SER H CA 1 +ATOM 2318 C C . SER B 2 91 ? 32.852 4.302 8.949 1.00 30.80 ? ? ? ? ? ? 87 SER H C 1 +ATOM 2319 O O . SER B 2 91 ? 32.878 3.486 9.875 1.00 31.83 ? ? ? ? ? ? 87 SER H O 1 +ATOM 2320 C CB . SER B 2 91 ? 33.073 6.518 10.059 1.00 27.36 ? ? ? ? ? ? 87 SER H CB 1 +ATOM 2321 O OG . SER B 2 91 ? 32.468 7.766 10.331 1.00 27.19 ? ? ? ? ? ? 87 SER H OG 1 +ATOM 2322 N N . ALA B 2 92 ? 33.376 4.051 7.756 1.00 28.50 ? ? ? ? ? ? 88 ALA H N 1 +ATOM 2323 C CA . ALA B 2 92 ? 34.015 2.776 7.478 1.00 28.28 ? ? ? ? ? ? 88 ALA H CA 1 +ATOM 2324 C C . ALA B 2 92 ? 34.380 2.673 6.008 1.00 26.61 ? ? ? ? ? ? 88 ALA H C 1 +ATOM 2325 O O . ALA B 2 92 ? 34.202 3.624 5.241 1.00 24.62 ? ? ? ? ? ? 88 ALA H O 1 +ATOM 2326 C CB . ALA B 2 92 ? 33.077 1.625 7.861 1.00 26.19 ? ? ? ? ? ? 88 ALA H CB 1 +ATOM 2327 N N . VAL B 2 93 ? 34.914 1.512 5.638 1.00 27.14 ? ? ? ? ? ? 89 VAL H N 1 +ATOM 2328 C CA . VAL B 2 93 ? 35.288 1.219 4.256 1.00 25.31 ? ? ? ? ? ? 89 VAL H CA 1 +ATOM 2329 C C . VAL B 2 93 ? 34.167 0.341 3.713 1.00 21.77 ? ? ? ? ? ? 89 VAL H C 1 +ATOM 2330 O O . VAL B 2 93 ? 33.791 -0.651 4.339 1.00 22.72 ? ? ? ? ? ? 89 VAL H O 1 +ATOM 2331 C CB . VAL B 2 93 ? 36.636 0.437 4.167 1.00 22.52 ? ? ? ? ? ? 89 VAL H CB 1 +ATOM 2332 C CG1 . VAL B 2 93 ? 36.998 0.189 2.720 1.00 20.22 ? ? ? ? ? ? 89 VAL H CG1 1 +ATOM 2333 C CG2 . VAL B 2 93 ? 37.751 1.221 4.850 1.00 21.67 ? ? ? ? ? ? 89 VAL H CG2 1 +ATOM 2334 N N . TYR B 2 94 ? 33.609 0.714 2.570 1.00 19.99 ? ? ? ? ? ? 90 TYR H N 1 +ATOM 2335 C CA . TYR B 2 94 ? 32.546 -0.079 1.997 1.00 19.14 ? ? ? ? ? ? 90 TYR H CA 1 +ATOM 2336 C C . TYR B 2 94 ? 33.030 -0.778 0.746 1.00 19.67 ? ? ? ? ? ? 90 TYR H C 1 +ATOM 2337 O O . TYR B 2 94 ? 33.543 -0.147 -0.180 1.00 22.26 ? ? ? ? ? ? 90 TYR H O 1 +ATOM 2338 C CB . TYR B 2 94 ? 31.328 0.798 1.687 1.00 17.65 ? ? ? ? ? ? 90 TYR H CB 1 +ATOM 2339 C CG . TYR B 2 94 ? 30.603 1.237 2.934 1.00 15.90 ? ? ? ? ? ? 90 TYR H CG 1 +ATOM 2340 C CD1 . TYR B 2 94 ? 31.128 2.234 3.742 1.00 18.73 ? ? ? ? ? ? 90 TYR H CD1 1 +ATOM 2341 C CD2 . TYR B 2 94 ? 29.424 0.615 3.341 1.00 21.36 ? ? ? ? ? ? 90 TYR H CD2 1 +ATOM 2342 C CE1 . TYR B 2 94 ? 30.510 2.598 4.923 1.00 18.07 ? ? ? ? ? ? 90 TYR H CE1 1 +ATOM 2343 C CE2 . TYR B 2 94 ? 28.791 0.976 4.530 1.00 18.00 ? ? ? ? ? ? 90 TYR H CE2 1 +ATOM 2344 C CZ . TYR B 2 94 ? 29.345 1.969 5.312 1.00 19.95 ? ? ? ? ? ? 90 TYR H CZ 1 +ATOM 2345 O OH . TYR B 2 94 ? 28.740 2.350 6.489 1.00 24.62 ? ? ? ? ? ? 90 TYR H OH 1 +ATOM 2346 N N . TYR B 2 95 ? 32.870 -2.095 0.725 1.00 19.93 ? ? ? ? ? ? 91 TYR H N 1 +ATOM 2347 C CA . TYR B 2 95 ? 33.281 -2.881 -0.429 1.00 22.10 ? ? ? ? ? ? 91 TYR H CA 1 +ATOM 2348 C C . TYR B 2 95 ? 32.067 -3.449 -1.140 1.00 24.46 ? ? ? ? ? ? 91 TYR H C 1 +ATOM 2349 O O . TYR B 2 95 ? 31.116 -3.890 -0.493 1.00 26.17 ? ? ? ? ? ? 91 TYR H O 1 +ATOM 2350 C CB . TYR B 2 95 ? 34.153 -4.074 -0.014 1.00 20.52 ? ? ? ? ? ? 91 TYR H CB 1 +ATOM 2351 C CG . TYR B 2 95 ? 35.464 -3.752 0.669 1.00 18.95 ? ? ? ? ? ? 91 TYR H CG 1 +ATOM 2352 C CD1 . TYR B 2 95 ? 36.579 -3.349 -0.064 1.00 16.04 ? ? ? ? ? ? 91 TYR H CD1 1 +ATOM 2353 C CD2 . TYR B 2 95 ? 35.603 -3.908 2.048 1.00 17.92 ? ? ? ? ? ? 91 TYR H CD2 1 +ATOM 2354 C CE1 . TYR B 2 95 ? 37.805 -3.111 0.559 1.00 18.93 ? ? ? ? ? ? 91 TYR H CE1 1 +ATOM 2355 C CE2 . TYR B 2 95 ? 36.820 -3.672 2.681 1.00 19.43 ? ? ? ? ? ? 91 TYR H CE2 1 +ATOM 2356 C CZ . TYR B 2 95 ? 37.919 -3.274 1.938 1.00 21.19 ? ? ? ? ? ? 91 TYR H CZ 1 +ATOM 2357 O OH . TYR B 2 95 ? 39.117 -3.035 2.584 1.00 23.50 ? ? ? ? ? ? 91 TYR H OH 1 +ATOM 2358 N N . CYS B 2 96 ? 32.078 -3.415 -2.470 1.00 25.54 ? ? ? ? ? ? 92 CYS H N 1 +ATOM 2359 C CA . CYS B 2 96 ? 31.004 -4.048 -3.212 1.00 27.65 ? ? ? ? ? ? 92 CYS H CA 1 +ATOM 2360 C C . CYS B 2 96 ? 31.707 -5.343 -3.650 1.00 25.22 ? ? ? ? ? ? 92 CYS H C 1 +ATOM 2361 O O . CYS B 2 96 ? 32.916 -5.358 -3.896 1.00 18.58 ? ? ? ? ? ? 92 CYS H O 1 +ATOM 2362 C CB . CYS B 2 96 ? 30.560 -3.217 -4.420 1.00 29.80 ? ? ? ? ? ? 92 CYS H CB 1 +ATOM 2363 S SG . CYS B 2 96 ? 31.843 -3.044 -5.679 1.00 41.91 ? ? ? ? ? ? 92 CYS H SG 1 +ATOM 2364 N N . ALA B 2 97 ? 30.955 -6.432 -3.701 1.00 24.28 ? ? ? ? ? ? 93 ALA H N 1 +ATOM 2365 C CA . ALA B 2 97 ? 31.517 -7.717 -4.062 1.00 21.06 ? ? ? ? ? ? 93 ALA H CA 1 +ATOM 2366 C C . ALA B 2 97 ? 30.551 -8.473 -4.931 1.00 18.42 ? ? ? ? ? ? 93 ALA H C 1 +ATOM 2367 O O . ALA B 2 97 ? 29.337 -8.407 -4.729 1.00 19.45 ? ? ? ? ? ? 93 ALA H O 1 +ATOM 2368 C CB . ALA B 2 97 ? 31.804 -8.526 -2.800 1.00 19.51 ? ? ? ? ? ? 93 ALA H CB 1 +ATOM 2369 N N . ALA B 2 98 ? 31.095 -9.200 -5.895 1.00 15.55 ? ? ? ? ? ? 94 ALA H N 1 +ATOM 2370 C CA . ALA B 2 98 ? 30.280 -10.008 -6.785 1.00 15.53 ? ? ? ? ? ? 94 ALA H CA 1 +ATOM 2371 C C . ALA B 2 98 ? 30.525 -11.489 -6.513 1.00 10.89 ? ? ? ? ? ? 94 ALA H C 1 +ATOM 2372 O O . ALA B 2 98 ? 31.638 -11.892 -6.205 1.00 14.56 ? ? ? ? ? ? 94 ALA H O 1 +ATOM 2373 C CB . ALA B 2 98 ? 30.616 -9.687 -8.249 1.00 12.74 ? ? ? ? ? ? 94 ALA H CB 1 +ATOM 2374 N N . ASP B 2 99 ? 29.469 -12.285 -6.597 1.00 17.07 ? ? ? ? ? ? 95 ASP H N 1 +ATOM 2375 C CA . ASP B 2 99 ? 29.580 -13.735 -6.443 1.00 19.49 ? ? ? ? ? ? 95 ASP H CA 1 +ATOM 2376 C C . ASP B 2 99 ? 30.346 -14.112 -7.703 1.00 21.58 ? ? ? ? ? ? 95 ASP H C 1 +ATOM 2377 O O . ASP B 2 99 ? 30.238 -13.422 -8.716 1.00 26.94 ? ? ? ? ? ? 95 ASP H O 1 +ATOM 2378 C CB . ASP B 2 99 ? 28.202 -14.402 -6.520 1.00 16.00 ? ? ? ? ? ? 95 ASP H CB 1 +ATOM 2379 C CG . ASP B 2 99 ? 27.427 -14.322 -5.227 1.00 18.14 ? ? ? ? ? ? 95 ASP H CG 1 +ATOM 2380 O OD1 . ASP B 2 99 ? 27.953 -13.775 -4.234 1.00 20.69 ? ? ? ? ? ? 95 ASP H OD1 1 +ATOM 2381 O OD2 . ASP B 2 99 ? 26.277 -14.813 -5.205 1.00 19.31 ? ? ? ? ? ? 95 ASP H OD2 1 +ATOM 2382 N N . PRO B 2 100 ? 31.118 -15.204 -7.676 1.00 22.97 ? ? ? ? ? ? 96 PRO H N 1 +ATOM 2383 C CA . PRO B 2 100 ? 31.859 -15.583 -8.892 1.00 22.92 ? ? ? ? ? ? 96 PRO H CA 1 +ATOM 2384 C C . PRO B 2 100 ? 31.021 -15.475 -10.189 1.00 22.30 ? ? ? ? ? ? 96 PRO H C 1 +ATOM 2385 O O . PRO B 2 100 ? 30.042 -16.193 -10.382 1.00 21.90 ? ? ? ? ? ? 96 PRO H O 1 +ATOM 2386 C CB . PRO B 2 100 ? 32.290 -17.018 -8.609 1.00 21.88 ? ? ? ? ? ? 96 PRO H CB 1 +ATOM 2387 C CG . PRO B 2 100 ? 32.359 -17.087 -7.131 1.00 19.33 ? ? ? ? ? ? 96 PRO H CG 1 +ATOM 2388 C CD . PRO B 2 100 ? 31.349 -16.142 -6.566 1.00 18.43 ? ? ? ? ? ? 96 PRO H CD 1 +ATOM 2389 N N . PRO B 2 101 ? 31.405 -14.575 -11.097 1.00 22.25 ? ? ? ? ? ? 97 PRO H N 1 +ATOM 2390 C CA . PRO B 2 101 ? 30.651 -14.418 -12.347 1.00 28.25 ? ? ? ? ? ? 97 PRO H CA 1 +ATOM 2391 C C . PRO B 2 101 ? 30.840 -15.555 -13.366 1.00 30.26 ? ? ? ? ? ? 97 PRO H C 1 +ATOM 2392 O O . PRO B 2 101 ? 29.941 -15.825 -14.173 1.00 27.65 ? ? ? ? ? ? 97 PRO H O 1 +ATOM 2393 C CB . PRO B 2 101 ? 31.147 -13.078 -12.895 1.00 27.98 ? ? ? ? ? ? 97 PRO H CB 1 +ATOM 2394 C CG . PRO B 2 101 ? 32.559 -12.977 -12.380 1.00 25.89 ? ? ? ? ? ? 97 PRO H CG 1 +ATOM 2395 C CD . PRO B 2 101 ? 32.560 -13.661 -11.023 1.00 25.59 ? ? ? ? ? ? 97 PRO H CD 1 +ATOM 2396 N N . TYR B 2 102 ? 32.011 -16.197 -13.317 1.00 31.04 ? ? ? ? ? ? 98 TYR H N 1 +ATOM 2397 C CA . TYR B 2 102 ? 32.374 -17.290 -14.219 1.00 31.19 ? ? ? ? ? ? 98 TYR H CA 1 +ATOM 2398 C C . TYR B 2 102 ? 32.856 -18.542 -13.510 1.00 32.49 ? ? ? ? ? ? 98 TYR H C 1 +ATOM 2399 O O . TYR B 2 102 ? 33.450 -18.476 -12.431 1.00 34.28 ? ? ? ? ? ? 98 TYR H O 1 +ATOM 2400 C CB . TYR B 2 102 ? 33.496 -16.857 -15.161 1.00 33.45 ? ? ? ? ? ? 98 TYR H CB 1 +ATOM 2401 C CG . TYR B 2 102 ? 33.126 -15.717 -16.066 1.00 37.26 ? ? ? ? ? ? 98 TYR H CG 1 +ATOM 2402 C CD1 . TYR B 2 102 ? 32.049 -15.825 -16.948 1.00 34.94 ? ? ? ? ? ? 98 TYR H CD1 1 +ATOM 2403 C CD2 . TYR B 2 102 ? 33.838 -14.513 -16.024 1.00 37.15 ? ? ? ? ? ? 98 TYR H CD2 1 +ATOM 2404 C CE1 . TYR B 2 102 ? 31.685 -14.766 -17.763 1.00 35.04 ? ? ? ? ? ? 98 TYR H CE1 1 +ATOM 2405 C CE2 . TYR B 2 102 ? 33.484 -13.446 -16.836 1.00 35.75 ? ? ? ? ? ? 98 TYR H CE2 1 +ATOM 2406 C CZ . TYR B 2 102 ? 32.406 -13.579 -17.703 1.00 36.85 ? ? ? ? ? ? 98 TYR H CZ 1 +ATOM 2407 O OH . TYR B 2 102 ? 32.058 -12.526 -18.516 1.00 39.13 ? ? ? ? ? ? 98 TYR H OH 1 +ATOM 2408 N N . TYR B 2 103 ? 32.618 -19.682 -14.151 1.00 33.70 ? ? ? ? ? ? 99 TYR H N 1 +ATOM 2409 C CA . TYR B 2 103 ? 33.053 -20.975 -13.637 1.00 33.17 ? ? ? ? ? ? 99 TYR H CA 1 +ATOM 2410 C C . TYR B 2 103 ? 34.563 -21.003 -13.787 1.00 32.95 ? ? ? ? ? ? 99 TYR H C 1 +ATOM 2411 O O . TYR B 2 103 ? 35.090 -20.725 -14.862 1.00 32.44 ? ? ? ? ? ? 99 TYR H O 1 +ATOM 2412 C CB . TYR B 2 103 ? 32.437 -22.107 -14.461 1.00 34.60 ? ? ? ? ? ? 99 TYR H CB 1 +ATOM 2413 C CG . TYR B 2 103 ? 33.048 -23.470 -14.222 1.00 33.98 ? ? ? ? ? ? 99 TYR H CG 1 +ATOM 2414 C CD1 . TYR B 2 103 ? 34.140 -23.904 -14.959 1.00 35.32 ? ? ? ? ? ? 99 TYR H CD1 1 +ATOM 2415 C CD2 . TYR B 2 103 ? 32.515 -24.330 -13.274 1.00 35.44 ? ? ? ? ? ? 99 TYR H CD2 1 +ATOM 2416 C CE1 . TYR B 2 103 ? 34.683 -25.161 -14.759 1.00 41.25 ? ? ? ? ? ? 99 TYR H CE1 1 +ATOM 2417 C CE2 . TYR B 2 103 ? 33.048 -25.588 -13.065 1.00 38.60 ? ? ? ? ? ? 99 TYR H CE2 1 +ATOM 2418 C CZ . TYR B 2 103 ? 34.129 -26.000 -13.810 1.00 39.99 ? ? ? ? ? ? 99 TYR H CZ 1 +ATOM 2419 O OH . TYR B 2 103 ? 34.651 -27.257 -13.610 1.00 45.35 ? ? ? ? ? ? 99 TYR H OH 1 +ATOM 2420 N N . GLY B 2 104 ? 35.261 -21.335 -12.710 1.00 32.72 ? ? ? ? ? ? 100 GLY H N 1 +ATOM 2421 C CA . GLY B 2 104 ? 36.702 -21.372 -12.789 1.00 32.57 ? ? ? ? ? ? 100 GLY H CA 1 +ATOM 2422 C C . GLY B 2 104 ? 37.327 -20.282 -11.951 1.00 32.90 ? ? ? ? ? ? 100 GLY H C 1 +ATOM 2423 O O . GLY B 2 104 ? 38.538 -20.281 -11.747 1.00 36.29 ? ? ? ? ? ? 100 GLY H O 1 +ATOM 2424 N N . HIS B 2 105 A 36.533 -19.331 -11.476 1.00 32.72 ? ? ? ? ? ? 100 HIS H N 1 +ATOM 2425 C CA . HIS B 2 105 A 37.130 -18.313 -10.633 1.00 35.12 ? ? ? ? ? ? 100 HIS H CA 1 +ATOM 2426 C C . HIS B 2 105 A 36.350 -17.892 -9.406 1.00 29.72 ? ? ? ? ? ? 100 HIS H C 1 +ATOM 2427 O O . HIS B 2 105 A 35.162 -18.170 -9.273 1.00 32.54 ? ? ? ? ? ? 100 HIS H O 1 +ATOM 2428 C CB . HIS B 2 105 A 37.523 -17.068 -11.427 1.00 43.95 ? ? ? ? ? ? 100 HIS H CB 1 +ATOM 2429 C CG . HIS B 2 105 A 38.644 -16.304 -10.787 1.00 51.54 ? ? ? ? ? ? 100 HIS H CG 1 +ATOM 2430 N ND1 . HIS B 2 105 A 38.449 -15.460 -9.712 1.00 54.04 ? ? ? ? ? ? 100 HIS H ND1 1 +ATOM 2431 C CD2 . HIS B 2 105 A 39.981 -16.337 -11.000 1.00 52.90 ? ? ? ? ? ? 100 HIS H CD2 1 +ATOM 2432 C CE1 . HIS B 2 105 A 39.615 -15.008 -9.290 1.00 52.73 ? ? ? ? ? ? 100 HIS H CE1 1 +ATOM 2433 N NE2 . HIS B 2 105 A 40.561 -15.525 -10.054 1.00 56.08 ? ? ? ? ? ? 100 HIS H NE2 1 +ATOM 2434 N N . GLY B 2 106 B 37.062 -17.221 -8.508 1.00 26.14 ? ? ? ? ? ? 100 GLY H N 1 +ATOM 2435 C CA . GLY B 2 106 B 36.492 -16.759 -7.270 1.00 21.90 ? ? ? ? ? ? 100 GLY H CA 1 +ATOM 2436 C C . GLY B 2 106 B 35.641 -15.527 -7.421 1.00 20.38 ? ? ? ? ? ? 100 GLY H C 1 +ATOM 2437 O O . GLY B 2 106 B 35.215 -15.167 -8.526 1.00 20.27 ? ? ? ? ? ? 100 GLY H O 1 +ATOM 2438 N N . ASP B 2 107 ? 35.385 -14.881 -6.292 1.00 19.71 ? ? ? ? ? ? 101 ASP H N 1 +ATOM 2439 C CA . ASP B 2 107 ? 34.565 -13.691 -6.287 1.00 20.44 ? ? ? ? ? ? 101 ASP H CA 1 +ATOM 2440 C C . ASP B 2 107 ? 35.348 -12.432 -6.618 1.00 20.72 ? ? ? ? ? ? 101 ASP H C 1 +ATOM 2441 O O . ASP B 2 107 ? 36.566 -12.472 -6.833 1.00 20.13 ? ? ? ? ? ? 101 ASP H O 1 +ATOM 2442 C CB . ASP B 2 107 ? 33.839 -13.540 -4.946 1.00 19.26 ? ? ? ? ? ? 101 ASP H CB 1 +ATOM 2443 C CG . ASP B 2 107 ? 34.782 -13.480 -3.746 1.00 23.36 ? ? ? ? ? ? 101 ASP H CG 1 +ATOM 2444 O OD1 . ASP B 2 107 ? 36.019 -13.544 -3.900 1.00 23.45 ? ? ? ? ? ? 101 ASP H OD1 1 +ATOM 2445 O OD2 . ASP B 2 107 ? 34.262 -13.362 -2.620 1.00 24.31 ? ? ? ? ? ? 101 ASP H OD2 1 +ATOM 2446 N N . TYR B 2 108 ? 34.625 -11.319 -6.678 1.00 19.43 ? ? ? ? ? ? 102 TYR H N 1 +ATOM 2447 C CA . TYR B 2 108 ? 35.224 -10.037 -7.001 1.00 22.15 ? ? ? ? ? ? 102 TYR H CA 1 +ATOM 2448 C C . TYR B 2 108 ? 34.844 -8.970 -5.992 1.00 18.12 ? ? ? ? ? ? 102 TYR H C 1 +ATOM 2449 O O . TYR B 2 108 ? 33.672 -8.792 -5.665 1.00 17.77 ? ? ? ? ? ? 102 TYR H O 1 +ATOM 2450 C CB . TYR B 2 108 ? 34.806 -9.603 -8.414 1.00 23.63 ? ? ? ? ? ? 102 TYR H CB 1 +ATOM 2451 C CG . TYR B 2 108 ? 35.487 -10.408 -9.493 1.00 26.84 ? ? ? ? ? ? 102 TYR H CG 1 +ATOM 2452 C CD1 . TYR B 2 108 ? 36.778 -10.100 -9.901 1.00 27.51 ? ? ? ? ? ? 102 TYR H CD1 1 +ATOM 2453 C CD2 . TYR B 2 108 ? 34.866 -11.520 -10.058 1.00 30.27 ? ? ? ? ? ? 102 TYR H CD2 1 +ATOM 2454 C CE1 . TYR B 2 108 ? 37.437 -10.881 -10.842 1.00 32.65 ? ? ? ? ? ? 102 TYR H CE1 1 +ATOM 2455 C CE2 . TYR B 2 108 ? 35.518 -12.309 -11.002 1.00 32.42 ? ? ? ? ? ? 102 TYR H CE2 1 +ATOM 2456 C CZ . TYR B 2 108 ? 36.804 -11.984 -11.388 1.00 33.22 ? ? ? ? ? ? 102 TYR H CZ 1 +ATOM 2457 O OH . TYR B 2 108 ? 37.461 -12.758 -12.319 1.00 35.60 ? ? ? ? ? ? 102 TYR H OH 1 +ATOM 2458 N N . TRP B 2 109 ? 35.861 -8.266 -5.506 1.00 18.54 ? ? ? ? ? ? 103 TRP H N 1 +ATOM 2459 C CA . TRP B 2 109 ? 35.689 -7.201 -4.534 1.00 17.96 ? ? ? ? ? ? 103 TRP H CA 1 +ATOM 2460 C C . TRP B 2 109 ? 36.238 -5.893 -5.099 1.00 20.35 ? ? ? ? ? ? 103 TRP H C 1 +ATOM 2461 O O . TRP B 2 109 ? 37.258 -5.893 -5.792 1.00 21.54 ? ? ? ? ? ? 103 TRP H O 1 +ATOM 2462 C CB . TRP B 2 109 ? 36.452 -7.524 -3.252 1.00 15.76 ? ? ? ? ? ? 103 TRP H CB 1 +ATOM 2463 C CG . TRP B 2 109 ? 35.854 -8.592 -2.406 1.00 14.01 ? ? ? ? ? ? 103 TRP H CG 1 +ATOM 2464 C CD1 . TRP B 2 109 ? 35.668 -9.902 -2.743 1.00 12.00 ? ? ? ? ? ? 103 TRP H CD1 1 +ATOM 2465 C CD2 . TRP B 2 109 ? 35.446 -8.467 -1.039 1.00 15.05 ? ? ? ? ? ? 103 TRP H CD2 1 +ATOM 2466 N NE1 . TRP B 2 109 ? 35.175 -10.602 -1.669 1.00 14.62 ? ? ? ? ? ? 103 TRP H NE1 1 +ATOM 2467 C CE2 . TRP B 2 109 ? 35.030 -9.744 -0.609 1.00 17.25 ? ? ? ? ? ? 103 TRP H CE2 1 +ATOM 2468 C CE3 . TRP B 2 109 ? 35.396 -7.398 -0.132 1.00 15.34 ? ? ? ? ? ? 103 TRP H CE3 1 +ATOM 2469 C CZ2 . TRP B 2 109 ? 34.566 -9.982 0.692 1.00 18.82 ? ? ? ? ? ? 103 TRP H CZ2 1 +ATOM 2470 C CZ3 . TRP B 2 109 ? 34.937 -7.635 1.159 1.00 16.77 ? ? ? ? ? ? 103 TRP H CZ3 1 +ATOM 2471 C CH2 . TRP B 2 109 ? 34.528 -8.916 1.558 1.00 18.65 ? ? ? ? ? ? 103 TRP H CH2 1 +ATOM 2472 N N . GLY B 2 110 ? 35.562 -4.785 -4.792 1.00 22.91 ? ? ? ? ? ? 104 GLY H N 1 +ATOM 2473 C CA . GLY B 2 110 ? 36.008 -3.483 -5.251 1.00 23.97 ? ? ? ? ? ? 104 GLY H CA 1 +ATOM 2474 C C . GLY B 2 110 ? 37.220 -3.022 -4.457 1.00 26.75 ? ? ? ? ? ? 104 GLY H C 1 +ATOM 2475 O O . GLY B 2 110 ? 37.646 -3.702 -3.524 1.00 28.20 ? ? ? ? ? ? 104 GLY H O 1 +ATOM 2476 N N . GLN B 2 111 ? 37.778 -1.870 -4.820 1.00 26.84 ? ? ? ? ? ? 105 GLN H N 1 +ATOM 2477 C CA . GLN B 2 111 ? 38.949 -1.340 -4.130 1.00 29.65 ? ? ? ? ? ? 105 GLN H CA 1 +ATOM 2478 C C . GLN B 2 111 ? 38.568 -0.816 -2.749 1.00 27.57 ? ? ? ? ? ? 105 GLN H C 1 +ATOM 2479 O O . GLN B 2 111 ? 39.428 -0.582 -1.895 1.00 26.91 ? ? ? ? ? ? 105 GLN H O 1 +ATOM 2480 C CB . GLN B 2 111 ? 39.594 -0.217 -4.964 1.00 34.74 ? ? ? ? ? ? 105 GLN H CB 1 +ATOM 2481 C CG . GLN B 2 111 ? 38.880 1.139 -4.908 1.00 36.59 ? ? ? ? ? ? 105 GLN H CG 1 +ATOM 2482 C CD . GLN B 2 111 ? 37.967 1.393 -6.103 1.00 40.85 ? ? ? ? ? ? 105 GLN H CD 1 +ATOM 2483 O OE1 . GLN B 2 111 ? 37.437 0.457 -6.717 1.00 37.97 ? ? ? ? ? ? 105 GLN H OE1 1 +ATOM 2484 N NE2 . GLN B 2 111 ? 37.777 2.668 -6.437 1.00 40.31 ? ? ? ? ? ? 105 GLN H NE2 1 +ATOM 2485 N N . GLY B 2 112 ? 37.267 -0.645 -2.544 1.00 25.21 ? ? ? ? ? ? 106 GLY H N 1 +ATOM 2486 C CA . GLY B 2 112 ? 36.776 -0.142 -1.280 1.00 24.58 ? ? ? ? ? ? 106 GLY H CA 1 +ATOM 2487 C C . GLY B 2 112 ? 36.535 1.352 -1.361 1.00 26.63 ? ? ? ? ? ? 106 GLY H C 1 +ATOM 2488 O O . GLY B 2 112 ? 37.247 2.067 -2.061 1.00 26.19 ? ? ? ? ? ? 106 GLY H O 1 +ATOM 2489 N N . THR B 2 113 ? 35.505 1.821 -0.668 1.00 27.44 ? ? ? ? ? ? 107 THR H N 1 +ATOM 2490 C CA . THR B 2 113 ? 35.197 3.242 -0.631 1.00 26.88 ? ? ? ? ? ? 107 THR H CA 1 +ATOM 2491 C C . THR B 2 113 ? 35.168 3.641 0.834 1.00 27.42 ? ? ? ? ? ? 107 THR H C 1 +ATOM 2492 O O . THR B 2 113 ? 34.378 3.108 1.608 1.00 27.23 ? ? ? ? ? ? 107 THR H O 1 +ATOM 2493 C CB . THR B 2 113 ? 33.835 3.556 -1.260 1.00 24.47 ? ? ? ? ? ? 107 THR H CB 1 +ATOM 2494 O OG1 . THR B 2 113 ? 33.902 3.344 -2.680 1.00 27.64 ? ? ? ? ? ? 107 THR H OG1 1 +ATOM 2495 C CG2 . THR B 2 113 ? 33.452 5.012 -0.984 1.00 22.66 ? ? ? ? ? ? 107 THR H CG2 1 +ATOM 2496 N N . THR B 2 114 ? 36.049 4.560 1.214 1.00 27.70 ? ? ? ? ? ? 108 THR H N 1 +ATOM 2497 C CA . THR B 2 114 ? 36.116 5.024 2.592 1.00 27.47 ? ? ? ? ? ? 108 THR H CA 1 +ATOM 2498 C C . THR B 2 114 ? 35.119 6.143 2.844 1.00 27.07 ? ? ? ? ? ? 108 THR H C 1 +ATOM 2499 O O . THR B 2 114 ? 35.099 7.154 2.130 1.00 27.09 ? ? ? ? ? ? 108 THR H O 1 +ATOM 2500 C CB . THR B 2 114 ? 37.527 5.531 2.949 1.00 29.57 ? ? ? ? ? ? 108 THR H CB 1 +ATOM 2501 O OG1 . THR B 2 114 ? 38.489 4.504 2.675 1.00 30.46 ? ? ? ? ? ? 108 THR H OG1 1 +ATOM 2502 C CG2 . THR B 2 114 ? 37.599 5.909 4.429 1.00 30.68 ? ? ? ? ? ? 108 THR H CG2 1 +ATOM 2503 N N . LEU B 2 115 ? 34.280 5.942 3.858 1.00 25.09 ? ? ? ? ? ? 109 LEU H N 1 +ATOM 2504 C CA . LEU B 2 115 ? 33.288 6.928 4.232 1.00 24.47 ? ? ? ? ? ? 109 LEU H CA 1 +ATOM 2505 C C . LEU B 2 115 ? 33.603 7.394 5.636 1.00 25.07 ? ? ? ? ? ? 109 LEU H C 1 +ATOM 2506 O O . LEU B 2 115 ? 33.746 6.588 6.547 1.00 26.47 ? ? ? ? ? ? 109 LEU H O 1 +ATOM 2507 C CB . LEU B 2 115 ? 31.865 6.346 4.199 1.00 20.33 ? ? ? ? ? ? 109 LEU H CB 1 +ATOM 2508 C CG . LEU B 2 115 ? 30.816 7.253 4.870 1.00 19.50 ? ? ? ? ? ? 109 LEU H CG 1 +ATOM 2509 C CD1 . LEU B 2 115 ? 30.690 8.561 4.097 1.00 15.25 ? ? ? ? ? ? 109 LEU H CD1 1 +ATOM 2510 C CD2 . LEU B 2 115 ? 29.484 6.557 4.946 1.00 14.01 ? ? ? ? ? ? 109 LEU H CD2 1 +ATOM 2511 N N . THR B 2 116 ? 33.722 8.705 5.798 1.00 26.42 ? ? ? ? ? ? 110 THR H N 1 +ATOM 2512 C CA . THR B 2 116 ? 34.001 9.291 7.097 1.00 24.92 ? ? ? ? ? ? 110 THR H CA 1 +ATOM 2513 C C . THR B 2 116 ? 32.852 10.239 7.446 1.00 25.73 ? ? ? ? ? ? 110 THR H C 1 +ATOM 2514 O O . THR B 2 116 ? 32.559 11.167 6.696 1.00 28.07 ? ? ? ? ? ? 110 THR H O 1 +ATOM 2515 C CB . THR B 2 116 ? 35.334 10.080 7.076 1.00 23.96 ? ? ? ? ? ? 110 THR H CB 1 +ATOM 2516 O OG1 . THR B 2 116 ? 36.397 9.230 6.625 1.00 24.94 ? ? ? ? ? ? 110 THR H OG1 1 +ATOM 2517 C CG2 . THR B 2 116 ? 35.671 10.588 8.461 1.00 23.75 ? ? ? ? ? ? 110 THR H CG2 1 +ATOM 2518 N N . VAL B 2 117 ? 32.178 9.981 8.561 1.00 25.45 ? ? ? ? ? ? 111 VAL H N 1 +ATOM 2519 C CA . VAL B 2 117 ? 31.081 10.831 9.016 1.00 25.13 ? ? ? ? ? ? 111 VAL H CA 1 +ATOM 2520 C C . VAL B 2 117 ? 31.585 11.567 10.263 1.00 27.86 ? ? ? ? ? ? 111 VAL H C 1 +ATOM 2521 O O . VAL B 2 117 ? 31.860 10.953 11.296 1.00 28.87 ? ? ? ? ? ? 111 VAL H O 1 +ATOM 2522 C CB . VAL B 2 117 ? 29.808 10.001 9.365 1.00 23.35 ? ? ? ? ? ? 111 VAL H CB 1 +ATOM 2523 C CG1 . VAL B 2 117 ? 28.627 10.921 9.624 1.00 18.88 ? ? ? ? ? ? 111 VAL H CG1 1 +ATOM 2524 C CG2 . VAL B 2 117 ? 29.476 9.058 8.225 1.00 20.41 ? ? ? ? ? ? 111 VAL H CG2 1 +ATOM 2525 N N . SER B 2 118 ? 31.720 12.887 10.141 1.00 29.94 ? ? ? ? ? ? 112 SER H N 1 +ATOM 2526 C CA . SER B 2 118 ? 32.207 13.745 11.220 1.00 29.73 ? ? ? ? ? ? 112 SER H CA 1 +ATOM 2527 C C . SER B 2 118 ? 31.607 15.140 11.090 1.00 28.21 ? ? ? ? ? ? 112 SER H C 1 +ATOM 2528 O O . SER B 2 118 ? 31.280 15.582 9.992 1.00 25.29 ? ? ? ? ? ? 112 SER H O 1 +ATOM 2529 C CB . SER B 2 118 ? 33.735 13.851 11.146 1.00 32.33 ? ? ? ? ? ? 112 SER H CB 1 +ATOM 2530 O OG . SER B 2 118 ? 34.258 14.653 12.193 1.00 33.92 ? ? ? ? ? ? 112 SER H OG 1 +ATOM 2531 N N . SER B 2 119 ? 31.468 15.838 12.209 1.00 31.51 ? ? ? ? ? ? 113 SER H N 1 +ATOM 2532 C CA . SER B 2 119 ? 30.926 17.193 12.172 1.00 35.00 ? ? ? ? ? ? 113 SER H CA 1 +ATOM 2533 C C . SER B 2 119 ? 32.073 18.186 12.033 1.00 32.54 ? ? ? ? ? ? 113 SER H C 1 +ATOM 2534 O O . SER B 2 119 ? 31.877 19.335 11.635 1.00 34.24 ? ? ? ? ? ? 113 SER H O 1 +ATOM 2535 C CB . SER B 2 119 ? 30.126 17.486 13.449 1.00 38.02 ? ? ? ? ? ? 113 SER H CB 1 +ATOM 2536 O OG . SER B 2 119 ? 30.688 16.837 14.575 1.00 41.80 ? ? ? ? ? ? 113 SER H OG 1 +ATOM 2537 N N . ALA B 2 120 ? 33.277 17.712 12.345 1.00 33.17 ? ? ? ? ? ? 114 ALA H N 1 +ATOM 2538 C CA . ALA B 2 120 ? 34.495 18.519 12.289 1.00 30.31 ? ? ? ? ? ? 114 ALA H CA 1 +ATOM 2539 C C . ALA B 2 120 ? 34.693 19.288 10.987 1.00 30.16 ? ? ? ? ? ? 114 ALA H C 1 +ATOM 2540 O O . ALA B 2 120 ? 34.257 18.855 9.924 1.00 33.09 ? ? ? ? ? ? 114 ALA H O 1 +ATOM 2541 C CB . ALA B 2 120 ? 35.709 17.641 12.555 1.00 24.85 ? ? ? ? ? ? 114 ALA H CB 1 +ATOM 2542 N N . LYS B 2 121 ? 35.353 20.438 11.099 1.00 29.47 ? ? ? ? ? ? 115 LYS H N 1 +ATOM 2543 C CA . LYS B 2 121 ? 35.663 21.302 9.968 1.00 30.01 ? ? ? ? ? ? 115 LYS H CA 1 +ATOM 2544 C C . LYS B 2 121 ? 37.070 20.963 9.522 1.00 30.87 ? ? ? ? ? ? 115 LYS H C 1 +ATOM 2545 O O . LYS B 2 121 ? 37.813 20.282 10.233 1.00 31.76 ? ? ? ? ? ? 115 LYS H O 1 +ATOM 2546 C CB . LYS B 2 121 ? 35.621 22.781 10.373 1.00 23.85 ? ? ? ? ? ? 115 LYS H CB 1 +ATOM 2547 C CG . LYS B 2 121 ? 34.300 23.460 10.086 1.00 25.19 ? ? ? ? ? ? 115 LYS H CG 1 +ATOM 2548 C CD . LYS B 2 121 ? 34.065 24.639 11.010 1.00 22.22 ? ? ? ? ? ? 115 LYS H CD 1 +ATOM 2549 C CE . LYS B 2 121 ? 34.943 25.803 10.638 1.00 19.24 ? ? ? ? ? ? 115 LYS H CE 1 +ATOM 2550 N NZ . LYS B 2 121 ? 34.693 27.004 11.473 1.00 19.04 ? ? ? ? ? ? 115 LYS H NZ 1 +ATOM 2551 N N . THR B 2 122 ? 37.427 21.444 8.342 1.00 32.28 ? ? ? ? ? ? 116 THR H N 1 +ATOM 2552 C CA . THR B 2 122 ? 38.747 21.216 7.791 1.00 36.91 ? ? ? ? ? ? 116 THR H CA 1 +ATOM 2553 C C . THR B 2 122 ? 39.716 22.042 8.626 1.00 37.81 ? ? ? ? ? ? 116 THR H C 1 +ATOM 2554 O O . THR B 2 122 ? 39.548 23.257 8.761 1.00 38.97 ? ? ? ? ? ? 116 THR H O 1 +ATOM 2555 C CB . THR B 2 122 ? 38.784 21.646 6.300 1.00 38.03 ? ? ? ? ? ? 116 THR H CB 1 +ATOM 2556 O OG1 . THR B 2 122 ? 38.305 20.563 5.490 1.00 37.23 ? ? ? ? ? ? 116 THR H OG1 1 +ATOM 2557 C CG2 . THR B 2 122 ? 40.187 22.011 5.870 1.00 35.78 ? ? ? ? ? ? 116 THR H CG2 1 +ATOM 2558 N N . THR B 2 123 ? 40.709 21.371 9.204 1.00 39.22 ? ? ? ? ? ? 117 THR H N 1 +ATOM 2559 C CA . THR B 2 123 ? 41.709 22.026 10.043 1.00 38.94 ? ? ? ? ? ? 117 THR H CA 1 +ATOM 2560 C C . THR B 2 123 ? 43.113 21.550 9.679 1.00 41.34 ? ? ? ? ? ? 117 THR H C 1 +ATOM 2561 O O . THR B 2 123 ? 43.347 20.355 9.505 1.00 41.17 ? ? ? ? ? ? 117 THR H O 1 +ATOM 2562 C CB . THR B 2 123 ? 41.480 21.715 11.533 1.00 35.71 ? ? ? ? ? ? 117 THR H CB 1 +ATOM 2563 O OG1 . THR B 2 123 ? 40.083 21.761 11.828 1.00 31.18 ? ? ? ? ? ? 117 THR H OG1 1 +ATOM 2564 C CG2 . THR B 2 123 ? 42.194 22.727 12.394 1.00 36.97 ? ? ? ? ? ? 117 THR H CG2 1 +ATOM 2565 N N . PRO B 2 124 ? 44.065 22.486 9.549 1.00 44.15 ? ? ? ? ? ? 118 PRO H N 1 +ATOM 2566 C CA . PRO B 2 124 ? 45.442 22.111 9.203 1.00 45.01 ? ? ? ? ? ? 118 PRO H CA 1 +ATOM 2567 C C . PRO B 2 124 ? 46.206 21.545 10.403 1.00 44.59 ? ? ? ? ? ? 118 PRO H C 1 +ATOM 2568 O O . PRO B 2 124 ? 45.987 21.962 11.539 1.00 44.16 ? ? ? ? ? ? 118 PRO H O 1 +ATOM 2569 C CB . PRO B 2 124 ? 46.055 23.417 8.701 1.00 45.77 ? ? ? ? ? ? 118 PRO H CB 1 +ATOM 2570 C CG . PRO B 2 124 ? 45.294 24.489 9.421 1.00 48.15 ? ? ? ? ? ? 118 PRO H CG 1 +ATOM 2571 C CD . PRO B 2 124 ? 43.904 23.945 9.698 1.00 45.80 ? ? ? ? ? ? 118 PRO H CD 1 +ATOM 2572 N N . PRO B 2 125 ? 47.115 20.587 10.160 1.00 43.14 ? ? ? ? ? ? 119 PRO H N 1 +ATOM 2573 C CA . PRO B 2 125 ? 47.881 20.005 11.258 1.00 42.12 ? ? ? ? ? ? 119 PRO H CA 1 +ATOM 2574 C C . PRO B 2 125 ? 48.974 20.957 11.682 1.00 43.73 ? ? ? ? ? ? 119 PRO H C 1 +ATOM 2575 O O . PRO B 2 125 ? 49.506 21.696 10.858 1.00 46.83 ? ? ? ? ? ? 119 PRO H O 1 +ATOM 2576 C CB . PRO B 2 125 ? 48.463 18.739 10.652 1.00 40.19 ? ? ? ? ? ? 119 PRO H CB 1 +ATOM 2577 C CG . PRO B 2 125 ? 48.655 19.093 9.229 1.00 40.32 ? ? ? ? ? ? 119 PRO H CG 1 +ATOM 2578 C CD . PRO B 2 125 ? 47.498 19.997 8.867 1.00 42.63 ? ? ? ? ? ? 119 PRO H CD 1 +ATOM 2579 N N . SER B 2 126 ? 49.290 20.944 12.974 1.00 44.44 ? ? ? ? ? ? 120 SER H N 1 +ATOM 2580 C CA . SER B 2 126 ? 50.349 21.768 13.535 1.00 40.94 ? ? ? ? ? ? 120 SER H CA 1 +ATOM 2581 C C . SER B 2 126 ? 51.493 20.791 13.727 1.00 43.47 ? ? ? ? ? ? 120 SER H C 1 +ATOM 2582 O O . SER B 2 126 ? 51.339 19.786 14.421 1.00 44.70 ? ? ? ? ? ? 120 SER H O 1 +ATOM 2583 C CB . SER B 2 126 ? 49.922 22.343 14.877 1.00 39.16 ? ? ? ? ? ? 120 SER H CB 1 +ATOM 2584 O OG . SER B 2 126 ? 48.549 22.674 14.861 1.00 42.45 ? ? ? ? ? ? 120 SER H OG 1 +ATOM 2585 N N . VAL B 2 127 ? 52.630 21.073 13.097 1.00 44.44 ? ? ? ? ? ? 121 VAL H N 1 +ATOM 2586 C CA . VAL B 2 127 ? 53.790 20.190 13.170 1.00 44.74 ? ? ? ? ? ? 121 VAL H CA 1 +ATOM 2587 C C . VAL B 2 127 ? 54.858 20.721 14.110 1.00 44.27 ? ? ? ? ? ? 121 VAL H C 1 +ATOM 2588 O O . VAL B 2 127 ? 55.282 21.868 13.996 1.00 44.78 ? ? ? ? ? ? 121 VAL H O 1 +ATOM 2589 C CB . VAL B 2 127 ? 54.423 19.978 11.764 1.00 44.09 ? ? ? ? ? ? 121 VAL H CB 1 +ATOM 2590 C CG1 . VAL B 2 127 ? 55.312 18.749 11.768 1.00 42.36 ? ? ? ? ? ? 121 VAL H CG1 1 +ATOM 2591 C CG2 . VAL B 2 127 ? 53.332 19.818 10.718 1.00 43.41 ? ? ? ? ? ? 121 VAL H CG2 1 +ATOM 2592 N N . TYR B 2 128 ? 55.284 19.875 15.044 1.00 43.91 ? ? ? ? ? ? 122 TYR H N 1 +ATOM 2593 C CA . TYR B 2 128 ? 56.310 20.244 16.007 1.00 41.47 ? ? ? ? ? ? 122 TYR H CA 1 +ATOM 2594 C C . TYR B 2 128 ? 57.482 19.283 15.913 1.00 41.81 ? ? ? ? ? ? 122 TYR H C 1 +ATOM 2595 O O . TYR B 2 128 ? 57.310 18.087 15.670 1.00 41.37 ? ? ? ? ? ? 122 TYR H O 1 +ATOM 2596 C CB . TYR B 2 128 ? 55.744 20.231 17.422 1.00 40.07 ? ? ? ? ? ? 122 TYR H CB 1 +ATOM 2597 C CG . TYR B 2 128 ? 54.562 21.149 17.619 1.00 38.42 ? ? ? ? ? ? 122 TYR H CG 1 +ATOM 2598 C CD1 . TYR B 2 128 ? 54.691 22.529 17.483 1.00 40.41 ? ? ? ? ? ? 122 TYR H CD1 1 +ATOM 2599 C CD2 . TYR B 2 128 ? 53.313 20.637 17.956 1.00 40.60 ? ? ? ? ? ? 122 TYR H CD2 1 +ATOM 2600 C CE1 . TYR B 2 128 ? 53.596 23.381 17.683 1.00 42.12 ? ? ? ? ? ? 122 TYR H CE1 1 +ATOM 2601 C CE2 . TYR B 2 128 ? 52.212 21.477 18.159 1.00 41.97 ? ? ? ? ? ? 122 TYR H CE2 1 +ATOM 2602 C CZ . TYR B 2 128 ? 52.358 22.845 18.024 1.00 42.63 ? ? ? ? ? ? 122 TYR H CZ 1 +ATOM 2603 O OH . TYR B 2 128 ? 51.266 23.665 18.238 1.00 43.23 ? ? ? ? ? ? 122 TYR H OH 1 +ATOM 2604 N N . PRO B 2 129 ? 58.701 19.802 16.102 1.00 43.16 ? ? ? ? ? ? 123 PRO H N 1 +ATOM 2605 C CA . PRO B 2 129 ? 59.899 18.965 16.031 1.00 44.39 ? ? ? ? ? ? 123 PRO H CA 1 +ATOM 2606 C C . PRO B 2 129 ? 60.235 18.273 17.359 1.00 44.66 ? ? ? ? ? ? 123 PRO H C 1 +ATOM 2607 O O . PRO B 2 129 ? 60.067 18.843 18.449 1.00 40.89 ? ? ? ? ? ? 123 PRO H O 1 +ATOM 2608 C CB . PRO B 2 129 ? 60.981 19.948 15.599 1.00 42.83 ? ? ? ? ? ? 123 PRO H CB 1 +ATOM 2609 C CG . PRO B 2 129 ? 60.533 21.268 16.207 1.00 44.37 ? ? ? ? ? ? 123 PRO H CG 1 +ATOM 2610 C CD . PRO B 2 129 ? 59.030 21.209 16.398 1.00 43.08 ? ? ? ? ? ? 123 PRO H CD 1 +ATOM 2611 N N . LEU B 2 130 ? 60.707 17.036 17.257 1.00 44.68 ? ? ? ? ? ? 124 LEU H N 1 +ATOM 2612 C CA . LEU B 2 130 ? 61.075 16.275 18.438 1.00 45.88 ? ? ? ? ? ? 124 LEU H CA 1 +ATOM 2613 C C . LEU B 2 130 ? 62.554 15.919 18.375 1.00 48.03 ? ? ? ? ? ? 124 LEU H C 1 +ATOM 2614 O O . LEU B 2 130 ? 62.954 15.022 17.632 1.00 48.14 ? ? ? ? ? ? 124 LEU H O 1 +ATOM 2615 C CB . LEU B 2 130 ? 60.223 15.003 18.537 1.00 41.57 ? ? ? ? ? ? 124 LEU H CB 1 +ATOM 2616 C CG . LEU B 2 130 ? 58.697 15.184 18.483 1.00 38.42 ? ? ? ? ? ? 124 LEU H CG 1 +ATOM 2617 C CD1 . LEU B 2 130 ? 58.021 13.856 18.746 1.00 35.24 ? ? ? ? ? ? 124 LEU H CD1 1 +ATOM 2618 C CD2 . LEU B 2 130 ? 58.244 16.215 19.502 1.00 36.71 ? ? ? ? ? ? 124 LEU H CD2 1 +ATOM 2619 N N . ALA B 2 131 ? 63.360 16.643 19.149 1.00 53.23 ? ? ? ? ? ? 125 ALA H N 1 +ATOM 2620 C CA . ALA B 2 131 ? 64.805 16.410 19.212 1.00 58.16 ? ? ? ? ? ? 125 ALA H CA 1 +ATOM 2621 C C . ALA B 2 131 ? 65.254 16.242 20.671 1.00 61.34 ? ? ? ? ? ? 125 ALA H C 1 +ATOM 2622 O O . ALA B 2 131 ? 64.625 16.777 21.591 1.00 61.23 ? ? ? ? ? ? 125 ALA H O 1 +ATOM 2623 C CB . ALA B 2 131 ? 65.555 17.567 18.559 1.00 56.38 ? ? ? ? ? ? 125 ALA H CB 1 +ATOM 2624 N N . PRO B 2 132 ? 66.357 15.498 20.896 1.00 66.04 ? ? ? ? ? ? 126 PRO H N 1 +ATOM 2625 C CA . PRO B 2 132 ? 66.914 15.238 22.236 1.00 69.53 ? ? ? ? ? ? 126 PRO H CA 1 +ATOM 2626 C C . PRO B 2 132 ? 67.153 16.494 23.082 1.00 73.12 ? ? ? ? ? ? 126 PRO H C 1 +ATOM 2627 O O . PRO B 2 132 ? 67.584 17.524 22.568 1.00 75.77 ? ? ? ? ? ? 126 PRO H O 1 +ATOM 2628 C CB . PRO B 2 132 ? 68.217 14.489 21.948 1.00 68.81 ? ? ? ? ? ? 126 PRO H CB 1 +ATOM 2629 C CG . PRO B 2 132 ? 68.040 13.909 20.579 1.00 66.38 ? ? ? ? ? ? 126 PRO H CG 1 +ATOM 2630 C CD . PRO B 2 132 ? 67.156 14.860 19.832 1.00 66.30 ? ? ? ? ? ? 126 PRO H CD 1 +ATOM 2631 N N . GLY B 2 133 ? 66.888 16.397 24.382 1.00 76.15 ? ? ? ? ? ? 127 GLY H N 1 +ATOM 2632 C CA . GLY B 2 133 ? 67.071 17.540 25.266 1.00 79.70 ? ? ? ? ? ? 127 GLY H CA 1 +ATOM 2633 C C . GLY B 2 133 ? 68.481 17.805 25.782 1.00 80.80 ? ? ? ? ? ? 127 GLY H C 1 +ATOM 2634 O O . GLY B 2 133 ? 69.129 16.922 26.346 1.00 82.61 ? ? ? ? ? ? 127 GLY H O 1 +ATOM 2635 N N . SER B 2 134 ? 68.944 19.039 25.595 0.00 99.00 ? ? ? ? ? ? 128 SER H N 1 +ATOM 2636 C CA . SER B 2 134 ? 70.272 19.456 26.040 0.00 99.00 ? ? ? ? ? ? 128 SER H CA 1 +ATOM 2637 C C . SER B 2 134 ? 71.278 18.312 25.979 0.00 99.00 ? ? ? ? ? ? 128 SER H C 1 +ATOM 2638 O O . SER B 2 134 ? 71.941 18.109 24.962 0.00 99.00 ? ? ? ? ? ? 128 SER H O 1 +ATOM 2639 C CB . SER B 2 134 ? 70.198 20.001 27.469 0.00 99.00 ? ? ? ? ? ? 128 SER H CB 1 +ATOM 2640 O OG . SER B 2 134 ? 69.982 21.401 27.471 0.00 99.00 ? ? ? ? ? ? 128 SER H OG 1 +ATOM 2641 N N . ALA B 2 135 ? 71.385 17.568 27.076 0.00 99.00 ? ? ? ? ? ? 129 ALA H N 1 +ATOM 2642 C CA . ALA B 2 135 ? 72.301 16.437 27.151 0.00 99.00 ? ? ? ? ? ? 129 ALA H CA 1 +ATOM 2643 C C . ALA B 2 135 ? 71.936 15.395 26.099 0.00 99.00 ? ? ? ? ? ? 129 ALA H C 1 +ATOM 2644 O O . ALA B 2 135 ? 70.936 15.533 25.394 0.00 99.00 ? ? ? ? ? ? 129 ALA H O 1 +ATOM 2645 C CB . ALA B 2 135 ? 72.248 15.817 28.542 0.00 99.00 ? ? ? ? ? ? 129 ALA H CB 1 +ATOM 2646 N N . ALA B 2 136 ? 72.752 14.352 25.996 0.00 99.00 ? ? ? ? ? ? 130 ALA H N 1 +ATOM 2647 C CA . ALA B 2 136 ? 72.513 13.288 25.029 0.00 99.00 ? ? ? ? ? ? 130 ALA H CA 1 +ATOM 2648 C C . ALA B 2 136 ? 73.446 12.116 25.297 0.00 99.00 ? ? ? ? ? ? 130 ALA H C 1 +ATOM 2649 O O . ALA B 2 136 ? 74.623 12.307 25.604 0.00 99.00 ? ? ? ? ? ? 130 ALA H O 1 +ATOM 2650 C CB . ALA B 2 136 ? 72.723 13.812 23.614 0.00 99.00 ? ? ? ? ? ? 130 ALA H CB 1 +ATOM 2651 N N . GLN B 2 137 ? 72.918 10.902 25.180 0.00 99.00 ? ? ? ? ? ? 133 GLN H N 1 +ATOM 2652 C CA . GLN B 2 137 ? 73.717 9.707 25.414 0.00 99.00 ? ? ? ? ? ? 133 GLN H CA 1 +ATOM 2653 C C . GLN B 2 137 ? 73.142 8.475 24.724 0.00 99.00 ? ? ? ? ? ? 133 GLN H C 1 +ATOM 2654 O O . GLN B 2 137 ? 72.075 7.983 25.091 0.00 99.00 ? ? ? ? ? ? 133 GLN H O 1 +ATOM 2655 C CB . GLN B 2 137 ? 73.839 9.440 26.916 0.00 99.00 ? ? ? ? ? ? 133 GLN H CB 1 +ATOM 2656 C CG . GLN B 2 137 ? 75.213 8.952 27.351 0.00 99.00 ? ? ? ? ? ? 133 GLN H CG 1 +ATOM 2657 C CD . GLN B 2 137 ? 75.846 8.012 26.343 0.00 99.00 ? ? ? ? ? ? 133 GLN H CD 1 +ATOM 2658 O OE1 . GLN B 2 137 ? 75.552 6.816 26.322 0.00 99.00 ? ? ? ? ? ? 133 GLN H OE1 1 +ATOM 2659 N NE2 . GLN B 2 137 ? 76.720 8.549 25.500 0.00 99.00 ? ? ? ? ? ? 133 GLN H NE2 1 +ATOM 2660 N N . THR B 2 138 ? 73.863 7.986 23.721 0.00 99.00 ? ? ? ? ? ? 134 THR H N 1 +ATOM 2661 C CA . THR B 2 138 ? 73.457 6.805 22.968 0.00 99.00 ? ? ? ? ? ? 134 THR H CA 1 +ATOM 2662 C C . THR B 2 138 ? 74.660 6.269 22.202 0.00 99.00 ? ? ? ? ? ? 134 THR H C 1 +ATOM 2663 O O . THR B 2 138 ? 74.865 5.058 22.115 0.00 99.00 ? ? ? ? ? ? 134 THR H O 1 +ATOM 2664 C CB . THR B 2 138 ? 72.341 7.130 21.957 0.00 99.00 ? ? ? ? ? ? 134 THR H CB 1 +ATOM 2665 O OG1 . THR B 2 138 ? 71.218 7.697 22.644 0.00 99.00 ? ? ? ? ? ? 134 THR H OG1 1 +ATOM 2666 C CG2 . THR B 2 138 ? 71.901 5.865 21.236 0.00 99.00 ? ? ? ? ? ? 134 THR H CG2 1 +ATOM 2667 N N . ASN B 2 139 ? 75.448 7.186 21.650 0.00 99.00 ? ? ? ? ? ? 135 ASN H N 1 +ATOM 2668 C CA . ASN B 2 139 ? 76.643 6.837 20.892 0.00 99.00 ? ? ? ? ? ? 135 ASN H CA 1 +ATOM 2669 C C . ASN B 2 139 ? 76.325 6.069 19.613 0.00 99.00 ? ? ? ? ? ? 135 ASN H C 1 +ATOM 2670 O O . ASN B 2 139 ? 75.474 5.179 19.603 0.00 99.00 ? ? ? ? ? ? 135 ASN H O 1 +ATOM 2671 C CB . ASN B 2 139 ? 77.597 6.011 21.761 0.00 99.00 ? ? ? ? ? ? 135 ASN H CB 1 +ATOM 2672 C CG . ASN B 2 139 ? 79.055 6.263 21.430 0.00 99.00 ? ? ? ? ? ? 135 ASN H CG 1 +ATOM 2673 O OD1 . ASN B 2 139 ? 79.374 7.029 20.520 0.00 99.00 ? ? ? ? ? ? 135 ASN H OD1 1 +ATOM 2674 N ND2 . ASN B 2 139 ? 79.949 5.619 22.170 0.00 99.00 ? ? ? ? ? ? 135 ASN H ND2 1 +ATOM 2675 N N . SER B 2 140 ? 77.018 6.429 18.537 0.00 99.00 ? ? ? ? ? ? 136 SER H N 1 +ATOM 2676 C CA . SER B 2 140 ? 76.849 5.789 17.237 0.00 99.00 ? ? ? ? ? ? 136 SER H CA 1 +ATOM 2677 C C . SER B 2 140 ? 75.520 6.097 16.551 0.00 99.00 ? ? ? ? ? ? 136 SER H C 1 +ATOM 2678 O O . SER B 2 140 ? 75.469 6.222 15.328 0.00 99.00 ? ? ? ? ? ? 136 SER H O 1 +ATOM 2679 C CB . SER B 2 140 ? 77.014 4.271 17.371 0.00 99.00 ? ? ? ? ? ? 136 SER H CB 1 +ATOM 2680 O OG . SER B 2 140 ? 75.757 3.618 17.377 0.00 99.00 ? ? ? ? ? ? 136 SER H OG 1 +ATOM 2681 N N . MET B 2 141 ? 74.447 6.219 17.328 1.00 63.33 ? ? ? ? ? ? 137 MET H N 1 +ATOM 2682 C CA . MET B 2 141 ? 73.133 6.502 16.748 1.00 62.50 ? ? ? ? ? ? 137 MET H CA 1 +ATOM 2683 C C . MET B 2 141 ? 72.243 7.408 17.598 1.00 62.74 ? ? ? ? ? ? 137 MET H C 1 +ATOM 2684 O O . MET B 2 141 ? 72.398 7.480 18.824 1.00 65.47 ? ? ? ? ? ? 137 MET H O 1 +ATOM 2685 C CB . MET B 2 141 ? 72.386 5.198 16.479 1.00 64.64 ? ? ? ? ? ? 137 MET H CB 1 +ATOM 2686 C CG . MET B 2 141 ? 73.136 4.223 15.604 1.00 69.12 ? ? ? ? ? ? 137 MET H CG 1 +ATOM 2687 S SD . MET B 2 141 ? 72.554 4.270 13.907 1.00 75.16 ? ? ? ? ? ? 137 MET H SD 1 +ATOM 2688 C CE . MET B 2 141 ? 71.007 3.356 14.020 1.00 74.07 ? ? ? ? ? ? 137 MET H CE 1 +ATOM 2689 N N . VAL B 2 142 ? 71.301 8.082 16.930 1.00 59.39 ? ? ? ? ? ? 138 VAL H N 1 +ATOM 2690 C CA . VAL B 2 142 ? 70.356 9.004 17.573 1.00 54.94 ? ? ? ? ? ? 138 VAL H CA 1 +ATOM 2691 C C . VAL B 2 142 ? 68.949 8.951 16.945 1.00 53.18 ? ? ? ? ? ? 138 VAL H C 1 +ATOM 2692 O O . VAL B 2 142 ? 68.793 8.696 15.750 1.00 51.57 ? ? ? ? ? ? 138 VAL H O 1 +ATOM 2693 C CB . VAL B 2 142 ? 70.872 10.458 17.500 1.00 52.46 ? ? ? ? ? ? 138 VAL H CB 1 +ATOM 2694 C CG1 . VAL B 2 142 ? 70.912 10.925 16.048 1.00 51.16 ? ? ? ? ? ? 138 VAL H CG1 1 +ATOM 2695 C CG2 . VAL B 2 142 ? 69.993 11.365 18.344 1.00 50.84 ? ? ? ? ? ? 138 VAL H CG2 1 +ATOM 2696 N N . THR B 2 143 ? 67.929 9.211 17.757 1.00 51.93 ? ? ? ? ? ? 139 THR H N 1 +ATOM 2697 C CA . THR B 2 143 ? 66.540 9.173 17.296 1.00 49.67 ? ? ? ? ? ? 139 THR H CA 1 +ATOM 2698 C C . THR B 2 143 ? 65.835 10.522 17.418 1.00 49.16 ? ? ? ? ? ? 139 THR H C 1 +ATOM 2699 O O . THR B 2 143 ? 65.876 11.164 18.476 1.00 48.47 ? ? ? ? ? ? 139 THR H O 1 +ATOM 2700 C CB . THR B 2 143 ? 65.721 8.117 18.091 1.00 48.30 ? ? ? ? ? ? 139 THR H CB 1 +ATOM 2701 O OG1 . THR B 2 143 ? 66.058 6.807 17.620 1.00 48.22 ? ? ? ? ? ? 139 THR H OG1 1 +ATOM 2702 C CG2 . THR B 2 143 ? 64.215 8.346 17.925 1.00 46.34 ? ? ? ? ? ? 139 THR H CG2 1 +ATOM 2703 N N . LEU B 2 144 ? 65.175 10.931 16.333 1.00 46.43 ? ? ? ? ? ? 140 LEU H N 1 +ATOM 2704 C CA . LEU B 2 144 ? 64.451 12.199 16.294 1.00 42.59 ? ? ? ? ? ? 140 LEU H CA 1 +ATOM 2705 C C . LEU B 2 144 ? 63.002 11.985 15.863 1.00 40.08 ? ? ? ? ? ? 140 LEU H C 1 +ATOM 2706 O O . LEU B 2 144 ? 62.689 11.009 15.187 1.00 41.04 ? ? ? ? ? ? 140 LEU H O 1 +ATOM 2707 C CB . LEU B 2 144 ? 65.155 13.156 15.336 1.00 42.75 ? ? ? ? ? ? 140 LEU H CB 1 +ATOM 2708 C CG . LEU B 2 144 ? 66.679 13.182 15.507 1.00 43.71 ? ? ? ? ? ? 140 LEU H CG 1 +ATOM 2709 C CD1 . LEU B 2 144 ? 67.346 13.332 14.143 1.00 42.90 ? ? ? ? ? ? 140 LEU H CD1 1 +ATOM 2710 C CD2 . LEU B 2 144 ? 67.076 14.321 16.449 1.00 39.30 ? ? ? ? ? ? 140 LEU H CD2 1 +ATOM 2711 N N . GLY B 2 145 ? 62.118 12.898 16.249 1.00 36.59 ? ? ? ? ? ? 141 GLY H N 1 +ATOM 2712 C CA . GLY B 2 145 ? 60.723 12.739 15.884 1.00 38.32 ? ? ? ? ? ? 141 GLY H CA 1 +ATOM 2713 C C . GLY B 2 145 ? 59.986 13.980 15.419 1.00 41.78 ? ? ? ? ? ? 141 GLY H C 1 +ATOM 2714 O O . GLY B 2 145 ? 60.557 15.072 15.295 1.00 43.77 ? ? ? ? ? ? 141 GLY H O 1 +ATOM 2715 N N . CYS B 2 146 ? 58.693 13.806 15.166 1.00 41.06 ? ? ? ? ? ? 142 CYS H N 1 +ATOM 2716 C CA . CYS B 2 146 ? 57.846 14.893 14.708 1.00 41.65 ? ? ? ? ? ? 142 CYS H CA 1 +ATOM 2717 C C . CYS B 2 146 ? 56.445 14.679 15.250 1.00 36.61 ? ? ? ? ? ? 142 CYS H C 1 +ATOM 2718 O O . CYS B 2 146 ? 55.937 13.564 15.217 1.00 33.80 ? ? ? ? ? ? 142 CYS H O 1 +ATOM 2719 C CB . CYS B 2 146 ? 57.797 14.896 13.178 1.00 53.04 ? ? ? ? ? ? 142 CYS H CB 1 +ATOM 2720 S SG . CYS B 2 146 ? 58.132 16.484 12.340 1.00 66.73 ? ? ? ? ? ? 142 CYS H SG 1 +ATOM 2721 N N . LEU B 2 147 ? 55.826 15.750 15.735 1.00 34.83 ? ? ? ? ? ? 143 LEU H N 1 +ATOM 2722 C CA . LEU B 2 147 ? 54.469 15.689 16.273 1.00 34.99 ? ? ? ? ? ? 143 LEU H CA 1 +ATOM 2723 C C . LEU B 2 147 ? 53.474 16.427 15.377 1.00 35.63 ? ? ? ? ? ? 143 LEU H C 1 +ATOM 2724 O O . LEU B 2 147 ? 53.547 17.645 15.245 1.00 36.23 ? ? ? ? ? ? 143 LEU H O 1 +ATOM 2725 C CB . LEU B 2 147 ? 54.426 16.308 17.676 1.00 36.39 ? ? ? ? ? ? 143 LEU H CB 1 +ATOM 2726 C CG . LEU B 2 147 ? 53.067 16.417 18.390 1.00 36.07 ? ? ? ? ? ? 143 LEU H CG 1 +ATOM 2727 C CD1 . LEU B 2 147 ? 52.557 15.026 18.742 1.00 36.39 ? ? ? ? ? ? 143 LEU H CD1 1 +ATOM 2728 C CD2 . LEU B 2 147 ? 53.203 17.257 19.649 1.00 33.66 ? ? ? ? ? ? 143 LEU H CD2 1 +ATOM 2729 N N . VAL B 2 148 ? 52.548 15.687 14.769 1.00 35.92 ? ? ? ? ? ? 144 VAL H N 1 +ATOM 2730 C CA . VAL B 2 148 ? 51.522 16.271 13.896 1.00 36.89 ? ? ? ? ? ? 144 VAL H CA 1 +ATOM 2731 C C . VAL B 2 148 ? 50.206 16.251 14.675 1.00 35.79 ? ? ? ? ? ? 144 VAL H C 1 +ATOM 2732 O O . VAL B 2 148 ? 49.589 15.200 14.840 1.00 36.92 ? ? ? ? ? ? 144 VAL H O 1 +ATOM 2733 C CB . VAL B 2 148 ? 51.377 15.456 12.593 1.00 37.50 ? ? ? ? ? ? 144 VAL H CB 1 +ATOM 2734 C CG1 . VAL B 2 148 ? 50.834 16.347 11.484 1.00 38.70 ? ? ? ? ? ? 144 VAL H CG1 1 +ATOM 2735 C CG2 . VAL B 2 148 ? 52.736 14.865 12.192 1.00 36.96 ? ? ? ? ? ? 144 VAL H CG2 1 +ATOM 2736 N N . LYS B 2 149 ? 49.761 17.419 15.127 1.00 34.81 ? ? ? ? ? ? 145 LYS H N 1 +ATOM 2737 C CA . LYS B 2 149 ? 48.576 17.479 15.967 1.00 34.39 ? ? ? ? ? ? 145 LYS H CA 1 +ATOM 2738 C C . LYS B 2 149 ? 47.409 18.378 15.578 1.00 34.11 ? ? ? ? ? ? 145 LYS H C 1 +ATOM 2739 O O . LYS B 2 149 ? 47.595 19.457 15.027 1.00 36.40 ? ? ? ? ? ? 145 LYS H O 1 +ATOM 2740 C CB . LYS B 2 149 ? 49.034 17.839 17.389 1.00 36.89 ? ? ? ? ? ? 145 LYS H CB 1 +ATOM 2741 C CG . LYS B 2 149 ? 47.923 17.999 18.414 1.00 37.92 ? ? ? ? ? ? 145 LYS H CG 1 +ATOM 2742 C CD . LYS B 2 149 ? 48.493 18.123 19.815 1.00 41.37 ? ? ? ? ? ? 145 LYS H CD 1 +ATOM 2743 C CE . LYS B 2 149 ? 47.620 17.388 20.820 1.00 45.83 ? ? ? ? ? ? 145 LYS H CE 1 +ATOM 2744 N NZ . LYS B 2 149 ? 48.146 16.020 21.129 1.00 50.89 ? ? ? ? ? ? 145 LYS H NZ 1 +ATOM 2745 N N . GLY B 2 150 ? 46.203 17.909 15.903 1.00 33.76 ? ? ? ? ? ? 146 GLY H N 1 +ATOM 2746 C CA . GLY B 2 150 ? 44.973 18.652 15.664 1.00 31.81 ? ? ? ? ? ? 146 GLY H CA 1 +ATOM 2747 C C . GLY B 2 150 ? 44.560 18.924 14.237 1.00 30.58 ? ? ? ? ? ? 146 GLY H C 1 +ATOM 2748 O O . GLY B 2 150 ? 44.232 20.062 13.891 1.00 29.21 ? ? ? ? ? ? 146 GLY H O 1 +ATOM 2749 N N . TYR B 2 151 ? 44.552 17.877 13.417 1.00 32.48 ? ? ? ? ? ? 147 TYR H N 1 +ATOM 2750 C CA . TYR B 2 151 ? 44.184 18.012 12.014 1.00 31.14 ? ? ? ? ? ? 147 TYR H CA 1 +ATOM 2751 C C . TYR B 2 151 ? 42.962 17.193 11.590 1.00 32.69 ? ? ? ? ? ? 147 TYR H C 1 +ATOM 2752 O O . TYR B 2 151 ? 42.657 16.146 12.171 1.00 31.61 ? ? ? ? ? ? 147 TYR H O 1 +ATOM 2753 C CB . TYR B 2 151 ? 45.386 17.656 11.124 1.00 28.84 ? ? ? ? ? ? 147 TYR H CB 1 +ATOM 2754 C CG . TYR B 2 151 ? 45.764 16.187 11.098 1.00 24.54 ? ? ? ? ? ? 147 TYR H CG 1 +ATOM 2755 C CD1 . TYR B 2 151 ? 45.136 15.306 10.228 1.00 26.05 ? ? ? ? ? ? 147 TYR H CD1 1 +ATOM 2756 C CD2 . TYR B 2 151 ? 46.768 15.686 11.925 1.00 24.10 ? ? ? ? ? ? 147 TYR H CD2 1 +ATOM 2757 C CE1 . TYR B 2 151 ? 45.490 13.961 10.179 1.00 25.03 ? ? ? ? ? ? 147 TYR H CE1 1 +ATOM 2758 C CE2 . TYR B 2 151 ? 47.133 14.342 11.885 1.00 23.50 ? ? ? ? ? ? 147 TYR H CE2 1 +ATOM 2759 C CZ . TYR B 2 151 ? 46.486 13.487 11.008 1.00 26.37 ? ? ? ? ? ? 147 TYR H CZ 1 +ATOM 2760 O OH . TYR B 2 151 ? 46.821 12.154 10.958 1.00 30.63 ? ? ? ? ? ? 147 TYR H OH 1 +ATOM 2761 N N . PHE B 2 152 ? 42.263 17.702 10.574 1.00 33.28 ? ? ? ? ? ? 148 PHE H N 1 +ATOM 2762 C CA . PHE B 2 152 ? 41.088 17.051 10.010 1.00 33.55 ? ? ? ? ? ? 148 PHE H CA 1 +ATOM 2763 C C . PHE B 2 152 ? 40.850 17.573 8.596 1.00 35.25 ? ? ? ? ? ? 148 PHE H C 1 +ATOM 2764 O O . PHE B 2 152 ? 41.007 18.767 8.329 1.00 34.80 ? ? ? ? ? ? 148 PHE H O 1 +ATOM 2765 C CB . PHE B 2 152 ? 39.837 17.321 10.850 1.00 30.32 ? ? ? ? ? ? 148 PHE H CB 1 +ATOM 2766 C CG . PHE B 2 152 ? 38.613 16.576 10.367 1.00 32.76 ? ? ? ? ? ? 148 PHE H CG 1 +ATOM 2767 C CD1 . PHE B 2 152 ? 37.808 17.104 9.356 1.00 34.21 ? ? ? ? ? ? 148 PHE H CD1 1 +ATOM 2768 C CD2 . PHE B 2 152 ? 38.283 15.330 10.897 1.00 31.51 ? ? ? ? ? ? 148 PHE H CD2 1 +ATOM 2769 C CE1 . PHE B 2 152 ? 36.694 16.399 8.877 1.00 31.65 ? ? ? ? ? ? 148 PHE H CE1 1 +ATOM 2770 C CE2 . PHE B 2 152 ? 37.168 14.616 10.427 1.00 31.13 ? ? ? ? ? ? 148 PHE H CE2 1 +ATOM 2771 C CZ . PHE B 2 152 ? 36.377 15.154 9.415 1.00 29.74 ? ? ? ? ? ? 148 PHE H CZ 1 +ATOM 2772 N N . PRO B 2 153 ? 40.505 16.672 7.661 1.00 38.04 ? ? ? ? ? ? 149 PRO H N 1 +ATOM 2773 C CA . PRO B 2 153 ? 40.344 15.235 7.883 1.00 40.29 ? ? ? ? ? ? 149 PRO H CA 1 +ATOM 2774 C C . PRO B 2 153 ? 41.627 14.517 7.511 1.00 43.98 ? ? ? ? ? ? 149 PRO H C 1 +ATOM 2775 O O . PRO B 2 153 ? 42.624 15.150 7.172 1.00 45.27 ? ? ? ? ? ? 149 PRO H O 1 +ATOM 2776 C CB . PRO B 2 153 ? 39.205 14.853 6.945 1.00 40.49 ? ? ? ? ? ? 149 PRO H CB 1 +ATOM 2777 C CG . PRO B 2 153 ? 39.158 15.964 5.903 1.00 40.85 ? ? ? ? ? ? 149 PRO H CG 1 +ATOM 2778 C CD . PRO B 2 153 ? 40.155 17.029 6.280 1.00 38.84 ? ? ? ? ? ? 149 PRO H CD 1 +ATOM 2779 N N . GLU B 2 154 ? 41.604 13.194 7.581 1.00 46.96 ? ? ? ? ? ? 150 GLU H N 1 +ATOM 2780 C CA . GLU B 2 154 ? 42.776 12.423 7.207 1.00 49.87 ? ? ? ? ? ? 150 GLU H CA 1 +ATOM 2781 C C . GLU B 2 154 ? 42.990 12.593 5.700 1.00 53.06 ? ? ? ? ? ? 150 GLU H C 1 +ATOM 2782 O O . GLU B 2 154 ? 42.055 12.895 4.952 1.00 54.48 ? ? ? ? ? ? 150 GLU H O 1 +ATOM 2783 C CB . GLU B 2 154 ? 42.567 10.940 7.528 1.00 48.96 ? ? ? ? ? ? 150 GLU H CB 1 +ATOM 2784 C CG . GLU B 2 154 ? 42.766 10.585 8.984 1.00 50.22 ? ? ? ? ? ? 150 GLU H CG 1 +ATOM 2785 C CD . GLU B 2 154 ? 43.888 9.586 9.198 1.00 52.07 ? ? ? ? ? ? 150 GLU H CD 1 +ATOM 2786 O OE1 . GLU B 2 154 ? 44.997 9.816 8.667 1.00 53.04 ? ? ? ? ? ? 150 GLU H OE1 1 +ATOM 2787 O OE2 . GLU B 2 154 ? 43.661 8.572 9.900 1.00 51.71 ? ? ? ? ? ? 150 GLU H OE2 1 +ATOM 2788 N N . PRO B 2 155 ? 44.224 12.383 5.233 1.00 53.93 ? ? ? ? ? ? 151 PRO H N 1 +ATOM 2789 C CA . PRO B 2 155 ? 45.385 12.013 6.035 1.00 52.77 ? ? ? ? ? ? 151 PRO H CA 1 +ATOM 2790 C C . PRO B 2 155 ? 46.411 13.137 5.994 1.00 51.51 ? ? ? ? ? ? 151 PRO H C 1 +ATOM 2791 O O . PRO B 2 155 ? 46.133 14.227 5.492 1.00 48.98 ? ? ? ? ? ? 151 PRO H O 1 +ATOM 2792 C CB . PRO B 2 155 ? 45.898 10.781 5.310 1.00 53.80 ? ? ? ? ? ? 151 PRO H CB 1 +ATOM 2793 C CG . PRO B 2 155 ? 45.493 11.075 3.792 1.00 57.11 ? ? ? ? ? ? 151 PRO H CG 1 +ATOM 2794 C CD . PRO B 2 155 ? 44.567 12.301 3.807 1.00 55.10 ? ? ? ? ? ? 151 PRO H CD 1 +ATOM 2795 N N . VAL B 2 156 ? 47.586 12.861 6.551 1.00 51.20 ? ? ? ? ? ? 152 VAL H N 1 +ATOM 2796 C CA . VAL B 2 156 ? 48.705 13.795 6.523 1.00 50.80 ? ? ? ? ? ? 152 VAL H CA 1 +ATOM 2797 C C . VAL B 2 156 ? 49.823 12.961 5.921 1.00 52.64 ? ? ? ? ? ? 152 VAL H C 1 +ATOM 2798 O O . VAL B 2 156 ? 49.830 11.736 6.052 1.00 52.59 ? ? ? ? ? ? 152 VAL H O 1 +ATOM 2799 C CB . VAL B 2 156 ? 49.163 14.261 7.917 1.00 47.56 ? ? ? ? ? ? 152 VAL H CB 1 +ATOM 2800 C CG1 . VAL B 2 156 ? 48.361 15.462 8.347 1.00 46.40 ? ? ? ? ? ? 152 VAL H CG1 1 +ATOM 2801 C CG2 . VAL B 2 156 ? 49.055 13.127 8.911 1.00 43.44 ? ? ? ? ? ? 152 VAL H CG2 1 +ATOM 2802 N N . THR B 2 157 ? 50.759 13.612 5.250 1.00 54.50 ? ? ? ? ? ? 153 THR H N 1 +ATOM 2803 C CA . THR B 2 157 ? 51.854 12.880 4.639 1.00 58.91 ? ? ? ? ? ? 153 THR H CA 1 +ATOM 2804 C C . THR B 2 157 ? 53.175 13.273 5.257 1.00 56.76 ? ? ? ? ? ? 153 THR H C 1 +ATOM 2805 O O . THR B 2 157 ? 53.624 14.414 5.127 1.00 54.32 ? ? ? ? ? ? 153 THR H O 1 +ATOM 2806 C CB . THR B 2 157 ? 51.920 13.127 3.114 1.00 64.31 ? ? ? ? ? ? 153 THR H CB 1 +ATOM 2807 O OG1 . THR B 2 157 ? 50.669 12.762 2.518 1.00 66.17 ? ? ? ? ? ? 153 THR H OG1 1 +ATOM 2808 C CG2 . THR B 2 157 ? 53.035 12.292 2.482 1.00 66.12 ? ? ? ? ? ? 153 THR H CG2 1 +ATOM 2809 N N . VAL B 2 158 ? 53.792 12.316 5.938 1.00 57.24 ? ? ? ? ? ? 154 VAL H N 1 +ATOM 2810 C CA . VAL B 2 158 ? 55.073 12.569 6.573 1.00 59.26 ? ? ? ? ? ? 154 VAL H CA 1 +ATOM 2811 C C . VAL B 2 158 ? 56.184 11.761 5.917 1.00 58.61 ? ? ? ? ? ? 154 VAL H C 1 +ATOM 2812 O O . VAL B 2 158 ? 56.043 10.563 5.646 1.00 58.11 ? ? ? ? ? ? 154 VAL H O 1 +ATOM 2813 C CB . VAL B 2 158 ? 55.047 12.247 8.096 1.00 57.58 ? ? ? ? ? ? 154 VAL H CB 1 +ATOM 2814 C CG1 . VAL B 2 158 ? 56.287 12.842 8.779 1.00 53.54 ? ? ? ? ? ? 154 VAL H CG1 1 +ATOM 2815 C CG2 . VAL B 2 158 ? 53.778 12.803 8.726 1.00 55.35 ? ? ? ? ? ? 154 VAL H CG2 1 +ATOM 2816 N N . THR B 2 159 ? 57.282 12.455 5.649 1.00 57.11 ? ? ? ? ? ? 156 THR H N 1 +ATOM 2817 C CA . THR B 2 159 ? 58.463 11.868 5.048 1.00 53.92 ? ? ? ? ? ? 156 THR H CA 1 +ATOM 2818 C C . THR B 2 159 ? 59.627 12.622 5.669 1.00 53.07 ? ? ? ? ? ? 156 THR H C 1 +ATOM 2819 O O . THR B 2 159 ? 59.466 13.757 6.136 1.00 49.40 ? ? ? ? ? ? 156 THR H O 1 +ATOM 2820 C CB . THR B 2 159 ? 58.491 12.068 3.517 1.00 52.81 ? ? ? ? ? ? 156 THR H CB 1 +ATOM 2821 O OG1 . THR B 2 159 ? 58.335 13.459 3.212 1.00 49.09 ? ? ? ? ? ? 156 THR H OG1 1 +ATOM 2822 C CG2 . THR B 2 159 ? 57.373 11.280 2.854 1.00 52.47 ? ? ? ? ? ? 156 THR H CG2 1 +ATOM 2823 N N . TRP B 2 160 ? 60.791 11.984 5.693 1.00 54.47 ? ? ? ? ? ? 157 TRP H N 1 +ATOM 2824 C CA . TRP B 2 160 ? 61.980 12.607 6.255 1.00 55.65 ? ? ? ? ? ? 157 TRP H CA 1 +ATOM 2825 C C . TRP B 2 160 ? 62.949 12.912 5.118 1.00 57.38 ? ? ? ? ? ? 157 TRP H C 1 +ATOM 2826 O O . TRP B 2 160 ? 63.498 12.005 4.497 1.00 57.04 ? ? ? ? ? ? 157 TRP H O 1 +ATOM 2827 C CB . TRP B 2 160 ? 62.621 11.675 7.293 1.00 53.15 ? ? ? ? ? ? 157 TRP H CB 1 +ATOM 2828 C CG . TRP B 2 160 ? 61.851 11.619 8.608 1.00 49.46 ? ? ? ? ? ? 157 TRP H CG 1 +ATOM 2829 C CD1 . TRP B 2 160 ? 60.936 10.670 8.989 1.00 46.79 ? ? ? ? ? ? 157 TRP H CD1 1 +ATOM 2830 C CD2 . TRP B 2 160 ? 61.915 12.567 9.687 1.00 43.43 ? ? ? ? ? ? 157 TRP H CD2 1 +ATOM 2831 N NE1 . TRP B 2 160 ? 60.430 10.973 10.231 1.00 44.99 ? ? ? ? ? ? 157 TRP H NE1 1 +ATOM 2832 C CE2 . TRP B 2 160 ? 61.011 12.131 10.681 1.00 43.34 ? ? ? ? ? ? 157 TRP H CE2 1 +ATOM 2833 C CE3 . TRP B 2 160 ? 62.645 13.741 9.906 1.00 37.83 ? ? ? ? ? ? 157 TRP H CE3 1 +ATOM 2834 C CZ2 . TRP B 2 160 ? 60.820 12.830 11.879 1.00 40.66 ? ? ? ? ? ? 157 TRP H CZ2 1 +ATOM 2835 C CZ3 . TRP B 2 160 ? 62.454 14.435 11.096 1.00 39.65 ? ? ? ? ? ? 157 TRP H CZ3 1 +ATOM 2836 C CH2 . TRP B 2 160 ? 61.548 13.977 12.067 1.00 39.23 ? ? ? ? ? ? 157 TRP H CH2 1 +ATOM 2837 N N . ASN B 2 161 ? 63.138 14.199 4.843 1.00 60.22 ? ? ? ? ? ? 162 ASN H N 1 +ATOM 2838 C CA . ASN B 2 161 ? 64.019 14.637 3.768 1.00 62.94 ? ? ? ? ? ? 162 ASN H CA 1 +ATOM 2839 C C . ASN B 2 161 ? 63.573 14.075 2.425 1.00 64.03 ? ? ? ? ? ? 162 ASN H C 1 +ATOM 2840 O O . ASN B 2 161 ? 64.328 13.378 1.755 1.00 65.29 ? ? ? ? ? ? 162 ASN H O 1 +ATOM 2841 C CB . ASN B 2 161 ? 65.455 14.208 4.054 1.00 63.91 ? ? ? ? ? ? 162 ASN H CB 1 +ATOM 2842 C CG . ASN B 2 161 ? 66.105 15.062 5.107 1.00 63.56 ? ? ? ? ? ? 162 ASN H CG 1 +ATOM 2843 O OD1 . ASN B 2 161 ? 65.741 16.223 5.282 1.00 60.60 ? ? ? ? ? ? 162 ASN H OD1 1 +ATOM 2844 N ND2 . ASN B 2 161 ? 67.070 14.494 5.820 1.00 63.88 ? ? ? ? ? ? 162 ASN H ND2 1 +ATOM 2845 N N . SER B 2 162 ? 62.338 14.381 2.045 1.00 66.75 ? ? ? ? ? ? 163 SER H N 1 +ATOM 2846 C CA . SER B 2 162 ? 61.763 13.932 0.779 1.00 68.58 ? ? ? ? ? ? 163 SER H CA 1 +ATOM 2847 C C . SER B 2 162 ? 62.125 12.503 0.393 1.00 71.16 ? ? ? ? ? ? 163 SER H C 1 +ATOM 2848 O O . SER B 2 162 ? 62.746 12.275 -0.644 1.00 72.64 ? ? ? ? ? ? 163 SER H O 1 +ATOM 2849 C CB . SER B 2 162 ? 62.187 14.876 -0.346 1.00 66.00 ? ? ? ? ? ? 163 SER H CB 1 +ATOM 2850 O OG . SER B 2 162 ? 62.103 16.226 0.068 1.00 67.24 ? ? ? ? ? ? 163 SER H OG 1 +ATOM 2851 N N . GLY B 2 163 ? 61.737 11.541 1.224 1.00 73.30 ? ? ? ? ? ? 164 GLY H N 1 +ATOM 2852 C CA . GLY B 2 163 ? 62.030 10.149 0.927 1.00 73.58 ? ? ? ? ? ? 164 GLY H CA 1 +ATOM 2853 C C . GLY B 2 163 ? 63.493 9.756 1.046 1.00 73.95 ? ? ? ? ? ? 164 GLY H C 1 +ATOM 2854 O O . GLY B 2 163 ? 63.853 8.619 0.740 1.00 72.58 ? ? ? ? ? ? 164 GLY H O 1 +ATOM 2855 N N . SER B 2 164 ? 64.338 10.689 1.478 1.00 75.44 ? ? ? ? ? ? 165 SER H N 1 +ATOM 2856 C CA . SER B 2 164 ? 65.764 10.411 1.647 1.00 76.03 ? ? ? ? ? ? 165 SER H CA 1 +ATOM 2857 C C . SER B 2 164 ? 65.930 9.314 2.699 1.00 75.25 ? ? ? ? ? ? 165 SER H C 1 +ATOM 2858 O O . SER B 2 164 ? 66.643 8.329 2.491 1.00 75.99 ? ? ? ? ? ? 165 SER H O 1 +ATOM 2859 C CB . SER B 2 164 ? 66.509 11.672 2.104 1.00 77.14 ? ? ? ? ? ? 165 SER H CB 1 +ATOM 2860 O OG . SER B 2 164 ? 66.991 12.418 1.000 1.00 78.64 ? ? ? ? ? ? 165 SER H OG 1 +ATOM 2861 N N . LEU B 2 165 ? 65.260 9.497 3.832 1.00 72.89 ? ? ? ? ? ? 166 LEU H N 1 +ATOM 2862 C CA . LEU B 2 165 ? 65.308 8.539 4.925 1.00 68.21 ? ? ? ? ? ? 166 LEU H CA 1 +ATOM 2863 C C . LEU B 2 165 ? 64.123 7.590 4.808 1.00 68.34 ? ? ? ? ? ? 166 LEU H C 1 +ATOM 2864 O O . LEU B 2 165 ? 62.984 7.963 5.089 1.00 69.02 ? ? ? ? ? ? 166 LEU H O 1 +ATOM 2865 C CB . LEU B 2 165 ? 65.265 9.277 6.263 1.00 63.64 ? ? ? ? ? ? 166 LEU H CB 1 +ATOM 2866 C CG . LEU B 2 165 ? 66.494 10.135 6.556 1.00 57.77 ? ? ? ? ? ? 166 LEU H CG 1 +ATOM 2867 C CD1 . LEU B 2 165 ? 66.094 11.540 6.959 1.00 54.78 ? ? ? ? ? ? 166 LEU H CD1 1 +ATOM 2868 C CD2 . LEU B 2 165 ? 67.280 9.473 7.649 1.00 61.18 ? ? ? ? ? ? 166 LEU H CD2 1 +ATOM 2869 N N . SER B 2 166 ? 64.396 6.367 4.370 1.00 69.00 ? ? ? ? ? ? 167 SER H N 1 +ATOM 2870 C CA . SER B 2 166 ? 63.354 5.360 4.219 1.00 70.73 ? ? ? ? ? ? 167 SER H CA 1 +ATOM 2871 C C . SER B 2 166 ? 63.707 4.127 5.050 1.00 69.70 ? ? ? ? ? ? 167 SER H C 1 +ATOM 2872 O O . SER B 2 166 ? 63.184 3.033 4.831 1.00 70.40 ? ? ? ? ? ? 167 SER H O 1 +ATOM 2873 C CB . SER B 2 166 ? 63.193 4.983 2.742 1.00 70.02 ? ? ? ? ? ? 167 SER H CB 1 +ATOM 2874 O OG . SER B 2 166 ? 64.333 4.296 2.263 1.00 75.46 ? ? ? ? ? ? 167 SER H OG 1 +ATOM 2875 N N . SER B 2 167 ? 64.602 4.322 6.011 1.00 68.51 ? ? ? ? ? ? 168 SER H N 1 +ATOM 2876 C CA . SER B 2 167 ? 65.032 3.251 6.898 1.00 66.96 ? ? ? ? ? ? 168 SER H CA 1 +ATOM 2877 C C . SER B 2 167 ? 65.089 3.793 8.326 1.00 64.67 ? ? ? ? ? ? 168 SER H C 1 +ATOM 2878 O O . SER B 2 167 ? 65.466 4.949 8.548 1.00 64.62 ? ? ? ? ? ? 168 SER H O 1 +ATOM 2879 C CB . SER B 2 167 ? 66.403 2.730 6.461 1.00 67.37 ? ? ? ? ? ? 168 SER H CB 1 +ATOM 2880 O OG . SER B 2 167 ? 66.431 2.507 5.059 1.00 66.33 ? ? ? ? ? ? 168 SER H OG 1 +ATOM 2881 N N . GLY B 2 168 ? 64.703 2.962 9.290 1.00 61.27 ? ? ? ? ? ? 169 GLY H N 1 +ATOM 2882 C CA . GLY B 2 168 ? 64.711 3.399 10.673 1.00 57.99 ? ? ? ? ? ? 169 GLY H CA 1 +ATOM 2883 C C . GLY B 2 168 ? 63.680 4.486 10.921 1.00 57.72 ? ? ? ? ? ? 169 GLY H C 1 +ATOM 2884 O O . GLY B 2 168 ? 63.869 5.351 11.774 1.00 57.41 ? ? ? ? ? ? 169 GLY H O 1 +ATOM 2885 N N . VAL B 2 169 ? 62.586 4.449 10.164 1.00 57.89 ? ? ? ? ? ? 171 VAL H N 1 +ATOM 2886 C CA . VAL B 2 169 ? 61.514 5.433 10.308 1.00 55.95 ? ? ? ? ? ? 171 VAL H CA 1 +ATOM 2887 C C . VAL B 2 169 ? 60.256 4.799 10.900 1.00 54.55 ? ? ? ? ? ? 171 VAL H C 1 +ATOM 2888 O O . VAL B 2 169 ? 59.850 3.694 10.519 1.00 52.39 ? ? ? ? ? ? 171 VAL H O 1 +ATOM 2889 C CB . VAL B 2 169 ? 61.157 6.096 8.947 1.00 56.22 ? ? ? ? ? ? 171 VAL H CB 1 +ATOM 2890 C CG1 . VAL B 2 169 ? 59.699 6.555 8.937 1.00 54.98 ? ? ? ? ? ? 171 VAL H CG1 1 +ATOM 2891 C CG2 . VAL B 2 169 ? 62.073 7.285 8.699 1.00 56.92 ? ? ? ? ? ? 171 VAL H CG2 1 +ATOM 2892 N N . HIS B 2 170 ? 59.648 5.511 11.842 1.00 53.82 ? ? ? ? ? ? 172 HIS H N 1 +ATOM 2893 C CA . HIS B 2 170 ? 58.440 5.038 12.497 1.00 51.07 ? ? ? ? ? ? 172 HIS H CA 1 +ATOM 2894 C C . HIS B 2 170 ? 57.385 6.130 12.560 1.00 49.99 ? ? ? ? ? ? 172 HIS H C 1 +ATOM 2895 O O . HIS B 2 170 ? 57.445 7.010 13.419 1.00 51.69 ? ? ? ? ? ? 172 HIS H O 1 +ATOM 2896 C CB . HIS B 2 170 ? 58.758 4.556 13.915 1.00 48.53 ? ? ? ? ? ? 172 HIS H CB 1 +ATOM 2897 C CG . HIS B 2 170 ? 59.558 3.292 13.952 1.00 48.92 ? ? ? ? ? ? 172 HIS H CG 1 +ATOM 2898 N ND1 . HIS B 2 170 ? 59.203 2.167 13.237 1.00 49.93 ? ? ? ? ? ? 172 HIS H ND1 1 +ATOM 2899 C CD2 . HIS B 2 170 ? 60.705 2.980 14.600 1.00 46.74 ? ? ? ? ? ? 172 HIS H CD2 1 +ATOM 2900 C CE1 . HIS B 2 170 ? 60.099 1.217 13.444 1.00 47.45 ? ? ? ? ? ? 172 HIS H CE1 1 +ATOM 2901 N NE2 . HIS B 2 170 ? 61.020 1.685 14.266 1.00 45.42 ? ? ? ? ? ? 172 HIS H NE2 1 +ATOM 2902 N N . THR B 2 171 ? 56.437 6.083 11.626 1.00 48.36 ? ? ? ? ? ? 173 THR H N 1 +ATOM 2903 C CA . THR B 2 171 ? 55.339 7.040 11.604 1.00 44.40 ? ? ? ? ? ? 173 THR H CA 1 +ATOM 2904 C C . THR B 2 171 ? 54.165 6.247 12.149 1.00 42.17 ? ? ? ? ? ? 173 THR H C 1 +ATOM 2905 O O . THR B 2 171 ? 53.727 5.255 11.553 1.00 40.54 ? ? ? ? ? ? 173 THR H O 1 +ATOM 2906 C CB . THR B 2 171 ? 55.029 7.530 10.190 1.00 44.96 ? ? ? ? ? ? 173 THR H CB 1 +ATOM 2907 O OG1 . THR B 2 171 ? 55.960 8.557 9.831 1.00 42.44 ? ? ? ? ? ? 173 THR H OG1 1 +ATOM 2908 C CG2 . THR B 2 171 ? 53.622 8.098 10.128 1.00 45.07 ? ? ? ? ? ? 173 THR H CG2 1 +ATOM 2909 N N . PHE B 2 172 ? 53.677 6.688 13.300 1.00 39.20 ? ? ? ? ? ? 174 PHE H N 1 +ATOM 2910 C CA . PHE B 2 172 ? 52.596 6.014 13.993 1.00 35.34 ? ? ? ? ? ? 174 PHE H CA 1 +ATOM 2911 C C . PHE B 2 172 ? 51.189 6.358 13.516 1.00 34.00 ? ? ? ? ? ? 174 PHE H C 1 +ATOM 2912 O O . PHE B 2 172 ? 50.925 7.467 13.038 1.00 34.26 ? ? ? ? ? ? 174 PHE H O 1 +ATOM 2913 C CB . PHE B 2 172 ? 52.738 6.279 15.499 1.00 32.95 ? ? ? ? ? ? 174 PHE H CB 1 +ATOM 2914 C CG . PHE B 2 172 ? 54.068 5.844 16.060 1.00 31.36 ? ? ? ? ? ? 174 PHE H CG 1 +ATOM 2915 C CD1 . PHE B 2 172 ? 54.256 4.540 16.506 1.00 28.42 ? ? ? ? ? ? 174 PHE H CD1 1 +ATOM 2916 C CD2 . PHE B 2 172 ? 55.148 6.719 16.088 1.00 29.44 ? ? ? ? ? ? 174 PHE H CD2 1 +ATOM 2917 C CE1 . PHE B 2 172 ? 55.494 4.113 16.965 1.00 26.43 ? ? ? ? ? ? 174 PHE H CE1 1 +ATOM 2918 C CE2 . PHE B 2 172 ? 56.388 6.300 16.544 1.00 28.43 ? ? ? ? ? ? 174 PHE H CE2 1 +ATOM 2919 C CZ . PHE B 2 172 ? 56.561 4.991 16.982 1.00 27.82 ? ? ? ? ? ? 174 PHE H CZ 1 +ATOM 2920 N N . PRO B 2 173 ? 50.266 5.391 13.622 1.00 32.00 ? ? ? ? ? ? 175 PRO H N 1 +ATOM 2921 C CA . PRO B 2 173 ? 48.875 5.594 13.208 1.00 33.06 ? ? ? ? ? ? 175 PRO H CA 1 +ATOM 2922 C C . PRO B 2 173 ? 48.233 6.754 13.984 1.00 36.20 ? ? ? ? ? ? 175 PRO H C 1 +ATOM 2923 O O . PRO B 2 173 ? 48.318 6.814 15.213 1.00 38.29 ? ? ? ? ? ? 175 PRO H O 1 +ATOM 2924 C CB . PRO B 2 173 ? 48.210 4.254 13.520 1.00 32.42 ? ? ? ? ? ? 175 PRO H CB 1 +ATOM 2925 C CG . PRO B 2 173 ? 49.331 3.272 13.602 1.00 29.82 ? ? ? ? ? ? 175 PRO H CG 1 +ATOM 2926 C CD . PRO B 2 173 ? 50.498 4.027 14.131 1.00 30.52 ? ? ? ? ? ? 175 PRO H CD 1 +ATOM 2927 N N . ALA B 2 174 ? 47.595 7.676 13.268 1.00 36.77 ? ? ? ? ? ? 176 ALA H N 1 +ATOM 2928 C CA . ALA B 2 174 ? 46.962 8.825 13.905 1.00 38.45 ? ? ? ? ? ? 176 ALA H CA 1 +ATOM 2929 C C . ALA B 2 174 ? 45.923 8.412 14.944 1.00 41.21 ? ? ? ? ? ? 176 ALA H C 1 +ATOM 2930 O O . ALA B 2 174 ? 45.484 7.263 14.977 1.00 43.12 ? ? ? ? ? ? 176 ALA H O 1 +ATOM 2931 C CB . ALA B 2 174 ? 46.320 9.716 12.846 1.00 35.01 ? ? ? ? ? ? 176 ALA H CB 1 +ATOM 2932 N N . VAL B 2 175 ? 45.546 9.349 15.809 1.00 42.66 ? ? ? ? ? ? 177 VAL H N 1 +ATOM 2933 C CA . VAL B 2 175 ? 44.541 9.080 16.833 1.00 42.46 ? ? ? ? ? ? 177 VAL H CA 1 +ATOM 2934 C C . VAL B 2 175 ? 43.529 10.220 16.914 1.00 42.87 ? ? ? ? ? ? 177 VAL H C 1 +ATOM 2935 O O . VAL B 2 175 ? 43.882 11.395 16.800 1.00 40.93 ? ? ? ? ? ? 177 VAL H O 1 +ATOM 2936 C CB . VAL B 2 175 ? 45.182 8.876 18.212 1.00 43.36 ? ? ? ? ? ? 177 VAL H CB 1 +ATOM 2937 C CG1 . VAL B 2 175 ? 44.115 8.472 19.226 1.00 43.01 ? ? ? ? ? ? 177 VAL H CG1 1 +ATOM 2938 C CG2 . VAL B 2 175 ? 46.263 7.808 18.122 1.00 41.40 ? ? ? ? ? ? 177 VAL H CG2 1 +ATOM 2939 N N . LEU B 2 176 ? 42.263 9.865 17.102 1.00 43.69 ? ? ? ? ? ? 178 LEU H N 1 +ATOM 2940 C CA . LEU B 2 176 ? 41.205 10.860 17.175 1.00 45.36 ? ? ? ? ? ? 178 LEU H CA 1 +ATOM 2941 C C . LEU B 2 176 ? 40.962 11.321 18.603 1.00 47.77 ? ? ? ? ? ? 178 LEU H C 1 +ATOM 2942 O O . LEU B 2 176 ? 40.551 10.540 19.459 1.00 48.19 ? ? ? ? ? ? 178 LEU H O 1 +ATOM 2943 C CB . LEU B 2 176 ? 39.911 10.289 16.586 1.00 44.23 ? ? ? ? ? ? 178 LEU H CB 1 +ATOM 2944 C CG . LEU B 2 176 ? 38.774 11.275 16.288 1.00 46.73 ? ? ? ? ? ? 178 LEU H CG 1 +ATOM 2945 C CD1 . LEU B 2 176 ? 39.201 12.250 15.209 1.00 44.83 ? ? ? ? ? ? 178 LEU H CD1 1 +ATOM 2946 C CD2 . LEU B 2 176 ? 37.531 10.512 15.847 1.00 49.51 ? ? ? ? ? ? 178 LEU H CD2 1 +ATOM 2947 N N . GLN B 2 177 ? 41.230 12.593 18.858 1.00 49.97 ? ? ? ? ? ? 179 GLN H N 1 +ATOM 2948 C CA . GLN B 2 177 ? 41.008 13.149 20.183 1.00 54.37 ? ? ? ? ? ? 179 GLN H CA 1 +ATOM 2949 C C . GLN B 2 177 ? 40.036 14.317 20.083 1.00 53.57 ? ? ? ? ? ? 179 GLN H C 1 +ATOM 2950 O O . GLN B 2 177 ? 40.432 15.463 19.851 1.00 53.36 ? ? ? ? ? ? 179 GLN H O 1 +ATOM 2951 C CB . GLN B 2 177 ? 42.326 13.605 20.812 1.00 59.21 ? ? ? ? ? ? 179 GLN H CB 1 +ATOM 2952 C CG . GLN B 2 177 ? 43.176 14.524 19.952 1.00 65.50 ? ? ? ? ? ? 179 GLN H CG 1 +ATOM 2953 C CD . GLN B 2 177 ? 44.368 15.067 20.720 1.00 69.52 ? ? ? ? ? ? 179 GLN H CD 1 +ATOM 2954 O OE1 . GLN B 2 177 ? 45.474 15.179 20.186 1.00 71.16 ? ? ? ? ? ? 179 GLN H OE1 1 +ATOM 2955 N NE2 . GLN B 2 177 ? 44.147 15.404 21.988 1.00 71.83 ? ? ? ? ? ? 179 GLN H NE2 1 +ATOM 2956 N N . SER B 2 178 ? 38.756 14.003 20.245 1.00 52.40 ? ? ? ? ? ? 180 SER H N 1 +ATOM 2957 C CA . SER B 2 178 ? 37.699 14.996 20.175 1.00 50.31 ? ? ? ? ? ? 180 SER H CA 1 +ATOM 2958 C C . SER B 2 178 ? 37.518 15.555 18.762 1.00 47.02 ? ? ? ? ? ? 180 SER H C 1 +ATOM 2959 O O . SER B 2 178 ? 37.662 16.754 18.533 1.00 46.68 ? ? ? ? ? ? 180 SER H O 1 +ATOM 2960 C CB . SER B 2 178 ? 37.986 16.131 21.159 1.00 52.94 ? ? ? ? ? ? 180 SER H CB 1 +ATOM 2961 O OG . SER B 2 178 ? 37.183 17.263 20.872 1.00 62.23 ? ? ? ? ? ? 180 SER H OG 1 +ATOM 2962 N N . ASP B 2 179 ? 37.205 14.672 17.819 1.00 42.95 ? ? ? ? ? ? 183 ASP H N 1 +ATOM 2963 C CA . ASP B 2 179 ? 36.974 15.056 16.428 1.00 40.44 ? ? ? ? ? ? 183 ASP H CA 1 +ATOM 2964 C C . ASP B 2 179 ? 38.207 15.426 15.605 1.00 37.16 ? ? ? ? ? ? 183 ASP H C 1 +ATOM 2965 O O . ASP B 2 179 ? 38.110 15.560 14.385 1.00 36.79 ? ? ? ? ? ? 183 ASP H O 1 +ATOM 2966 C CB . ASP B 2 179 ? 35.960 16.201 16.364 1.00 43.73 ? ? ? ? ? ? 183 ASP H CB 1 +ATOM 2967 C CG . ASP B 2 179 ? 34.565 15.765 16.772 1.00 47.95 ? ? ? ? ? ? 183 ASP H CG 1 +ATOM 2968 O OD1 . ASP B 2 179 ? 34.398 14.594 17.183 1.00 52.42 ? ? ? ? ? ? 183 ASP H OD1 1 +ATOM 2969 O OD2 . ASP B 2 179 ? 33.636 16.594 16.685 1.00 50.85 ? ? ? ? ? ? 183 ASP H OD2 1 +ATOM 2970 N N . LEU B 2 180 ? 39.357 15.585 16.257 1.00 33.02 ? ? ? ? ? ? 184 LEU H N 1 +ATOM 2971 C CA . LEU B 2 180 ? 40.595 15.927 15.557 1.00 29.54 ? ? ? ? ? ? 184 LEU H CA 1 +ATOM 2972 C C . LEU B 2 180 ? 41.631 14.808 15.652 1.00 29.20 ? ? ? ? ? ? 184 LEU H C 1 +ATOM 2973 O O . LEU B 2 180 ? 41.661 14.057 16.632 1.00 31.90 ? ? ? ? ? ? 184 LEU H O 1 +ATOM 2974 C CB . LEU B 2 180 ? 41.191 17.214 16.125 1.00 29.01 ? ? ? ? ? ? 184 LEU H CB 1 +ATOM 2975 C CG . LEU B 2 180 ? 40.517 18.547 15.788 1.00 30.21 ? ? ? ? ? ? 184 LEU H CG 1 +ATOM 2976 C CD1 . LEU B 2 180 ? 41.518 19.651 16.042 1.00 32.55 ? ? ? ? ? ? 184 LEU H CD1 1 +ATOM 2977 C CD2 . LEU B 2 180 ? 40.037 18.591 14.339 1.00 28.36 ? ? ? ? ? ? 184 LEU H CD2 1 +ATOM 2978 N N . TYR B 2 181 ? 42.481 14.698 14.634 1.00 29.07 ? ? ? ? ? ? 185 TYR H N 1 +ATOM 2979 C CA . TYR B 2 181 ? 43.519 13.665 14.610 1.00 28.00 ? ? ? ? ? ? 185 TYR H CA 1 +ATOM 2980 C C . TYR B 2 181 ? 44.861 14.224 15.048 1.00 25.75 ? ? ? ? ? ? 185 TYR H C 1 +ATOM 2981 O O . TYR B 2 181 ? 45.127 15.418 14.915 1.00 27.35 ? ? ? ? ? ? 185 TYR H O 1 +ATOM 2982 C CB . TYR B 2 181 ? 43.689 13.085 13.202 1.00 31.58 ? ? ? ? ? ? 185 TYR H CB 1 +ATOM 2983 C CG . TYR B 2 181 ? 42.546 12.228 12.715 1.00 34.49 ? ? ? ? ? ? 185 TYR H CG 1 +ATOM 2984 C CD1 . TYR B 2 181 ? 42.471 10.878 13.046 1.00 35.51 ? ? ? ? ? ? 185 TYR H CD1 1 +ATOM 2985 C CD2 . TYR B 2 181 ? 41.533 12.774 11.918 1.00 38.33 ? ? ? ? ? ? 185 TYR H CD2 1 +ATOM 2986 C CE1 . TYR B 2 181 ? 41.410 10.090 12.599 1.00 39.74 ? ? ? ? ? ? 185 TYR H CE1 1 +ATOM 2987 C CE2 . TYR B 2 181 ? 40.474 11.999 11.469 1.00 38.52 ? ? ? ? ? ? 185 TYR H CE2 1 +ATOM 2988 C CZ . TYR B 2 181 ? 40.414 10.660 11.813 1.00 40.05 ? ? ? ? ? ? 185 TYR H CZ 1 +ATOM 2989 O OH . TYR B 2 181 ? 39.345 9.898 11.390 1.00 45.63 ? ? ? ? ? ? 185 TYR H OH 1 +ATOM 2990 N N . THR B 2 182 ? 45.705 13.340 15.556 1.00 23.07 ? ? ? ? ? ? 186 THR H N 1 +ATOM 2991 C CA . THR B 2 182 ? 47.038 13.698 16.011 1.00 27.33 ? ? ? ? ? ? 186 THR H CA 1 +ATOM 2992 C C . THR B 2 182 ? 47.905 12.484 15.766 1.00 28.19 ? ? ? ? ? ? 186 THR H C 1 +ATOM 2993 O O . THR B 2 182 ? 47.486 11.356 16.031 1.00 31.53 ? ? ? ? ? ? 186 THR H O 1 +ATOM 2994 C CB . THR B 2 182 ? 47.073 14.011 17.524 1.00 26.64 ? ? ? ? ? ? 186 THR H CB 1 +ATOM 2995 O OG1 . THR B 2 182 ? 46.461 15.284 17.772 1.00 32.14 ? ? ? ? ? ? 186 THR H OG1 1 +ATOM 2996 C CG2 . THR B 2 182 ? 48.496 14.034 18.024 1.00 23.93 ? ? ? ? ? ? 186 THR H CG2 1 +ATOM 2997 N N . LEU B 2 183 ? 49.114 12.711 15.273 1.00 28.97 ? ? ? ? ? ? 187 LEU H N 1 +ATOM 2998 C CA . LEU B 2 183 ? 50.030 11.617 14.995 1.00 30.75 ? ? ? ? ? ? 187 LEU H CA 1 +ATOM 2999 C C . LEU B 2 183 ? 51.470 12.085 15.202 1.00 30.98 ? ? ? ? ? ? 187 LEU H C 1 +ATOM 3000 O O . LEU B 2 183 ? 51.728 13.278 15.316 1.00 31.88 ? ? ? ? ? ? 187 LEU H O 1 +ATOM 3001 C CB . LEU B 2 183 ? 49.798 11.144 13.555 1.00 34.84 ? ? ? ? ? ? 187 LEU H CB 1 +ATOM 3002 C CG . LEU B 2 183 ? 50.903 10.664 12.611 1.00 39.94 ? ? ? ? ? ? 187 LEU H CG 1 +ATOM 3003 C CD1 . LEU B 2 183 ? 50.240 10.007 11.408 1.00 40.46 ? ? ? ? ? ? 187 LEU H CD1 1 +ATOM 3004 C CD2 . LEU B 2 183 ? 51.786 11.820 12.155 1.00 37.17 ? ? ? ? ? ? 187 LEU H CD2 1 +ATOM 3005 N N . SER B 2 184 ? 52.405 11.147 15.273 1.00 32.79 ? ? ? ? ? ? 188 SER H N 1 +ATOM 3006 C CA . SER B 2 184 ? 53.806 11.509 15.444 1.00 35.73 ? ? ? ? ? ? 188 SER H CA 1 +ATOM 3007 C C . SER B 2 184 ? 54.694 10.555 14.653 1.00 37.17 ? ? ? ? ? ? 188 SER H C 1 +ATOM 3008 O O . SER B 2 184 ? 54.307 9.424 14.339 1.00 36.50 ? ? ? ? ? ? 188 SER H O 1 +ATOM 3009 C CB . SER B 2 184 ? 54.195 11.499 16.926 1.00 34.70 ? ? ? ? ? ? 188 SER H CB 1 +ATOM 3010 O OG . SER B 2 184 ? 54.192 10.179 17.431 1.00 44.70 ? ? ? ? ? ? 188 SER H OG 1 +ATOM 3011 N N . SER B 2 185 ? 55.890 11.026 14.323 1.00 38.54 ? ? ? ? ? ? 189 SER H N 1 +ATOM 3012 C CA . SER B 2 185 ? 56.827 10.228 13.555 1.00 38.00 ? ? ? ? ? ? 189 SER H CA 1 +ATOM 3013 C C . SER B 2 185 ? 58.238 10.356 14.130 1.00 37.20 ? ? ? ? ? ? 189 SER H C 1 +ATOM 3014 O O . SER B 2 185 ? 58.604 11.392 14.689 1.00 35.38 ? ? ? ? ? ? 189 SER H O 1 +ATOM 3015 C CB . SER B 2 185 ? 56.785 10.681 12.088 1.00 39.15 ? ? ? ? ? ? 189 SER H CB 1 +ATOM 3016 O OG . SER B 2 185 ? 57.977 10.367 11.394 1.00 44.15 ? ? ? ? ? ? 189 SER H OG 1 +ATOM 3017 N N . SER B 2 186 ? 59.013 9.285 14.001 1.00 36.84 ? ? ? ? ? ? 190 SER H N 1 +ATOM 3018 C CA . SER B 2 186 ? 60.379 9.251 14.493 1.00 36.10 ? ? ? ? ? ? 190 SER H CA 1 +ATOM 3019 C C . SER B 2 186 ? 61.263 8.590 13.451 1.00 37.72 ? ? ? ? ? ? 190 SER H C 1 +ATOM 3020 O O . SER B 2 186 ? 60.797 7.781 12.652 1.00 38.50 ? ? ? ? ? ? 190 SER H O 1 +ATOM 3021 C CB . SER B 2 186 ? 60.454 8.443 15.783 1.00 34.79 ? ? ? ? ? ? 190 SER H CB 1 +ATOM 3022 O OG . SER B 2 186 ? 60.296 7.065 15.499 1.00 34.24 ? ? ? ? ? ? 190 SER H OG 1 +ATOM 3023 N N . VAL B 2 187 ? 62.543 8.936 13.467 1.00 39.83 ? ? ? ? ? ? 191 VAL H N 1 +ATOM 3024 C CA . VAL B 2 187 ? 63.505 8.361 12.538 1.00 42.67 ? ? ? ? ? ? 191 VAL H CA 1 +ATOM 3025 C C . VAL B 2 187 ? 64.847 8.291 13.246 1.00 44.86 ? ? ? ? ? ? 191 VAL H C 1 +ATOM 3026 O O . VAL B 2 187 ? 65.151 9.143 14.086 1.00 45.24 ? ? ? ? ? ? 191 VAL H O 1 +ATOM 3027 C CB . VAL B 2 187 ? 63.653 9.220 11.257 1.00 41.49 ? ? ? ? ? ? 191 VAL H CB 1 +ATOM 3028 C CG1 . VAL B 2 187 ? 64.177 10.611 11.619 1.00 38.10 ? ? ? ? ? ? 191 VAL H CG1 1 +ATOM 3029 C CG2 . VAL B 2 187 ? 64.581 8.520 10.263 1.00 37.05 ? ? ? ? ? ? 191 VAL H CG2 1 +ATOM 3030 N N . THR B 2 188 ? 65.638 7.274 12.911 1.00 50.21 ? ? ? ? ? ? 192 THR H N 1 +ATOM 3031 C CA . THR B 2 188 ? 66.961 7.091 13.513 1.00 55.76 ? ? ? ? ? ? 192 THR H CA 1 +ATOM 3032 C C . THR B 2 188 ? 68.093 7.090 12.471 1.00 59.73 ? ? ? ? ? ? 192 THR H C 1 +ATOM 3033 O O . THR B 2 188 ? 68.033 6.403 11.439 1.00 59.15 ? ? ? ? ? ? 192 THR H O 1 +ATOM 3034 C CB . THR B 2 188 ? 67.023 5.784 14.348 1.00 55.04 ? ? ? ? ? ? 192 THR H CB 1 +ATOM 3035 O OG1 . THR B 2 188 ? 65.846 5.680 15.161 1.00 54.27 ? ? ? ? ? ? 192 THR H OG1 1 +ATOM 3036 C CG2 . THR B 2 188 ? 68.254 5.783 15.253 1.00 52.85 ? ? ? ? ? ? 192 THR H CG2 1 +ATOM 3037 N N . VAL B 2 189 ? 69.126 7.875 12.762 1.00 64.95 ? ? ? ? ? ? 193 VAL H N 1 +ATOM 3038 C CA . VAL B 2 189 ? 70.274 8.020 11.876 1.00 69.49 ? ? ? ? ? ? 193 VAL H CA 1 +ATOM 3039 C C . VAL B 2 189 ? 71.578 7.991 12.670 1.00 72.59 ? ? ? ? ? ? 193 VAL H C 1 +ATOM 3040 O O . VAL B 2 189 ? 71.605 8.377 13.843 1.00 73.74 ? ? ? ? ? ? 193 VAL H O 1 +ATOM 3041 C CB . VAL B 2 189 ? 70.206 9.369 11.123 1.00 70.08 ? ? ? ? ? ? 193 VAL H CB 1 +ATOM 3042 C CG1 . VAL B 2 189 ? 68.931 9.444 10.302 1.00 69.13 ? ? ? ? ? ? 193 VAL H CG1 1 +ATOM 3043 C CG2 . VAL B 2 189 ? 70.257 10.528 12.125 1.00 68.36 ? ? ? ? ? ? 193 VAL H CG2 1 +ATOM 3044 N N . PRO B 2 190 ? 72.680 7.543 12.038 1.00 74.66 ? ? ? ? ? ? 194 PRO H N 1 +ATOM 3045 C CA . PRO B 2 190 ? 73.967 7.497 12.747 1.00 76.12 ? ? ? ? ? ? 194 PRO H CA 1 +ATOM 3046 C C . PRO B 2 190 ? 74.365 8.917 13.140 1.00 77.20 ? ? ? ? ? ? 194 PRO H C 1 +ATOM 3047 O O . PRO B 2 190 ? 74.174 9.849 12.361 1.00 77.53 ? ? ? ? ? ? 194 PRO H O 1 +ATOM 3048 C CB . PRO B 2 190 ? 74.927 6.893 11.721 1.00 75.32 ? ? ? ? ? ? 194 PRO H CB 1 +ATOM 3049 C CG . PRO B 2 190 ? 74.285 7.154 10.394 1.00 76.20 ? ? ? ? ? ? 194 PRO H CG 1 +ATOM 3050 C CD . PRO B 2 190 ? 72.803 7.077 10.645 1.00 75.30 ? ? ? ? ? ? 194 PRO H CD 1 +ATOM 3051 N N . SER B 2 191 ? 74.907 9.089 14.341 1.00 78.21 ? ? ? ? ? ? 195 SER H N 1 +ATOM 3052 C CA . SER B 2 191 ? 75.302 10.419 14.797 1.00 80.18 ? ? ? ? ? ? 195 SER H CA 1 +ATOM 3053 C C . SER B 2 191 ? 76.412 11.046 13.928 1.00 80.54 ? ? ? ? ? ? 195 SER H C 1 +ATOM 3054 O O . SER B 2 191 ? 77.000 12.074 14.289 1.00 82.34 ? ? ? ? ? ? 195 SER H O 1 +ATOM 3055 C CB . SER B 2 191 ? 75.744 10.361 16.267 1.00 81.47 ? ? ? ? ? ? 195 SER H CB 1 +ATOM 3056 O OG . SER B 2 191 ? 75.548 9.069 16.827 1.00 84.93 ? ? ? ? ? ? 195 SER H OG 1 +ATOM 3057 N N . SER B 2 192 ? 76.686 10.426 12.781 1.00 79.33 ? ? ? ? ? ? 196 SER H N 1 +ATOM 3058 C CA . SER B 2 192 ? 77.698 10.917 11.841 1.00 76.55 ? ? ? ? ? ? 196 SER H CA 1 +ATOM 3059 C C . SER B 2 192 ? 77.050 11.753 10.721 1.00 76.01 ? ? ? ? ? ? 196 SER H C 1 +ATOM 3060 O O . SER B 2 192 ? 77.716 12.563 10.069 1.00 74.56 ? ? ? ? ? ? 196 SER H O 1 +ATOM 3061 C CB . SER B 2 192 ? 78.487 9.735 11.244 1.00 74.32 ? ? ? ? ? ? 196 SER H CB 1 +ATOM 3062 O OG . SER B 2 192 ? 77.900 9.234 10.053 1.00 68.25 ? ? ? ? ? ? 196 SER H OG 1 +ATOM 3063 N N . THR B 2 193 ? 75.750 11.546 10.511 1.00 73.98 ? ? ? ? ? ? 198 THR H N 1 +ATOM 3064 C CA . THR B 2 193 ? 74.991 12.279 9.500 1.00 70.09 ? ? ? ? ? ? 198 THR H CA 1 +ATOM 3065 C C . THR B 2 193 ? 74.237 13.440 10.189 1.00 70.19 ? ? ? ? ? ? 198 THR H C 1 +ATOM 3066 O O . THR B 2 193 ? 73.676 14.307 9.521 1.00 71.94 ? ? ? ? ? ? 198 THR H O 1 +ATOM 3067 C CB . THR B 2 193 ? 73.979 11.327 8.749 1.00 67.69 ? ? ? ? ? ? 198 THR H CB 1 +ATOM 3068 O OG1 . THR B 2 193 ? 74.700 10.403 7.919 1.00 61.22 ? ? ? ? ? ? 198 THR H OG1 1 +ATOM 3069 C CG2 . THR B 2 193 ? 73.028 12.121 7.861 1.00 64.21 ? ? ? ? ? ? 198 THR H CG2 1 +ATOM 3070 N N . TRP B 2 194 ? 74.250 13.458 11.526 1.00 68.05 ? ? ? ? ? ? 199 TRP H N 1 +ATOM 3071 C CA . TRP B 2 194 ? 73.580 14.497 12.328 1.00 64.91 ? ? ? ? ? ? 199 TRP H CA 1 +ATOM 3072 C C . TRP B 2 194 ? 74.369 14.724 13.627 1.00 62.51 ? ? ? ? ? ? 199 TRP H C 1 +ATOM 3073 O O . TRP B 2 194 ? 74.921 13.782 14.198 1.00 62.44 ? ? ? ? ? ? 199 TRP H O 1 +ATOM 3074 C CB . TRP B 2 194 ? 72.139 14.056 12.661 1.00 64.97 ? ? ? ? ? ? 199 TRP H CB 1 +ATOM 3075 C CG . TRP B 2 194 ? 71.155 15.163 13.060 1.00 61.54 ? ? ? ? ? ? 199 TRP H CG 1 +ATOM 3076 C CD1 . TRP B 2 194 ? 70.309 15.853 12.229 1.00 61.93 ? ? ? ? ? ? 199 TRP H CD1 1 +ATOM 3077 C CD2 . TRP B 2 194 ? 70.868 15.630 14.390 1.00 59.96 ? ? ? ? ? ? 199 TRP H CD2 1 +ATOM 3078 N NE1 . TRP B 2 194 ? 69.515 16.710 12.959 1.00 56.93 ? ? ? ? ? ? 199 TRP H NE1 1 +ATOM 3079 C CE2 . TRP B 2 194 ? 69.838 16.591 14.285 1.00 58.56 ? ? ? ? ? ? 199 TRP H CE2 1 +ATOM 3080 C CE3 . TRP B 2 194 ? 71.380 15.325 15.660 1.00 59.97 ? ? ? ? ? ? 199 TRP H CE3 1 +ATOM 3081 C CZ2 . TRP B 2 194 ? 69.313 17.250 15.404 1.00 57.15 ? ? ? ? ? ? 199 TRP H CZ2 1 +ATOM 3082 C CZ3 . TRP B 2 194 ? 70.853 15.981 16.771 1.00 57.37 ? ? ? ? ? ? 199 TRP H CZ3 1 +ATOM 3083 C CH2 . TRP B 2 194 ? 69.831 16.932 16.633 1.00 57.33 ? ? ? ? ? ? 199 TRP H CH2 1 +ATOM 3084 N N . PRO B 2 195 ? 74.420 15.975 14.121 1.00 60.61 ? ? ? ? ? ? 200 PRO H N 1 +ATOM 3085 C CA . PRO B 2 195 ? 73.810 17.207 13.594 1.00 60.60 ? ? ? ? ? ? 200 PRO H CA 1 +ATOM 3086 C C . PRO B 2 195 ? 74.570 18.004 12.511 1.00 61.78 ? ? ? ? ? ? 200 PRO H C 1 +ATOM 3087 O O . PRO B 2 195 ? 74.454 19.232 12.453 1.00 60.29 ? ? ? ? ? ? 200 PRO H O 1 +ATOM 3088 C CB . PRO B 2 195 ? 73.580 18.055 14.847 1.00 57.50 ? ? ? ? ? ? 200 PRO H CB 1 +ATOM 3089 C CG . PRO B 2 195 ? 74.426 17.423 15.939 1.00 59.15 ? ? ? ? ? ? 200 PRO H CG 1 +ATOM 3090 C CD . PRO B 2 195 ? 75.140 16.229 15.377 1.00 58.23 ? ? ? ? ? ? 200 PRO H CD 1 +ATOM 3091 N N . SER B 2 196 ? 75.328 17.327 11.651 1.00 63.26 ? ? ? ? ? ? 202 SER H N 1 +ATOM 3092 C CA . SER B 2 196 ? 76.074 18.027 10.604 1.00 63.73 ? ? ? ? ? ? 202 SER H CA 1 +ATOM 3093 C C . SER B 2 196 ? 75.266 18.121 9.313 1.00 64.33 ? ? ? ? ? ? 202 SER H C 1 +ATOM 3094 O O . SER B 2 196 ? 75.268 19.151 8.633 1.00 62.16 ? ? ? ? ? ? 202 SER H O 1 +ATOM 3095 C CB . SER B 2 196 ? 77.408 17.324 10.329 1.00 64.38 ? ? ? ? ? ? 202 SER H CB 1 +ATOM 3096 O OG . SER B 2 196 ? 77.406 15.992 10.809 1.00 67.22 ? ? ? ? ? ? 202 SER H OG 1 +ATOM 3097 N N . GLU B 2 197 ? 74.588 17.031 8.974 1.00 65.37 ? ? ? ? ? ? 203 GLU H N 1 +ATOM 3098 C CA . GLU B 2 197 ? 73.754 16.989 7.785 1.00 66.53 ? ? ? ? ? ? 203 GLU H CA 1 +ATOM 3099 C C . GLU B 2 197 ? 72.309 17.152 8.261 1.00 67.55 ? ? ? ? ? ? 203 GLU H C 1 +ATOM 3100 O O . GLU B 2 197 ? 71.865 16.457 9.175 1.00 65.13 ? ? ? ? ? ? 203 GLU H O 1 +ATOM 3101 C CB . GLU B 2 197 ? 73.950 15.660 7.042 1.00 66.16 ? ? ? ? ? ? 203 GLU H CB 1 +ATOM 3102 C CG . GLU B 2 197 ? 75.074 15.697 6.007 1.00 68.37 ? ? ? ? ? ? 203 GLU H CG 1 +ATOM 3103 C CD . GLU B 2 197 ? 75.834 14.379 5.886 1.00 70.95 ? ? ? ? ? ? 203 GLU H CD 1 +ATOM 3104 O OE1 . GLU B 2 197 ? 75.293 13.431 5.268 1.00 73.79 ? ? ? ? ? ? 203 GLU H OE1 1 +ATOM 3105 O OE2 . GLU B 2 197 ? 76.975 14.295 6.401 1.00 67.79 ? ? ? ? ? ? 203 GLU H OE2 1 +ATOM 3106 N N . THR B 2 198 ? 71.588 18.086 7.649 1.00 69.98 ? ? ? ? ? ? 204 THR H N 1 +ATOM 3107 C CA . THR B 2 198 ? 70.207 18.370 8.028 1.00 72.88 ? ? ? ? ? ? 204 THR H CA 1 +ATOM 3108 C C . THR B 2 198 ? 69.225 17.220 7.825 1.00 73.03 ? ? ? ? ? ? 204 THR H C 1 +ATOM 3109 O O . THR B 2 198 ? 69.260 16.514 6.813 1.00 72.86 ? ? ? ? ? ? 204 THR H O 1 +ATOM 3110 C CB . THR B 2 198 ? 69.656 19.603 7.270 1.00 73.77 ? ? ? ? ? ? 204 THR H CB 1 +ATOM 3111 O OG1 . THR B 2 198 ? 69.471 19.273 5.888 1.00 76.84 ? ? ? ? ? ? 204 THR H OG1 1 +ATOM 3112 C CG2 . THR B 2 198 ? 70.620 20.775 7.381 1.00 74.05 ? ? ? ? ? ? 204 THR H CG2 1 +ATOM 3113 N N . VAL B 2 199 ? 68.352 17.046 8.813 1.00 72.74 ? ? ? ? ? ? 205 VAL H N 1 +ATOM 3114 C CA . VAL B 2 199 ? 67.321 16.018 8.783 1.00 71.37 ? ? ? ? ? ? 205 VAL H CA 1 +ATOM 3115 C C . VAL B 2 199 ? 65.994 16.775 8.845 1.00 70.88 ? ? ? ? ? ? 205 VAL H C 1 +ATOM 3116 O O . VAL B 2 199 ? 65.683 17.431 9.846 1.00 68.98 ? ? ? ? ? ? 205 VAL H O 1 +ATOM 3117 C CB . VAL B 2 199 ? 67.460 15.050 9.990 1.00 69.20 ? ? ? ? ? ? 205 VAL H CB 1 +ATOM 3118 C CG1 . VAL B 2 199 ? 66.104 14.497 10.383 1.00 68.57 ? ? ? ? ? ? 205 VAL H CG1 1 +ATOM 3119 C CG2 . VAL B 2 199 ? 68.412 13.911 9.632 1.00 67.18 ? ? ? ? ? ? 205 VAL H CG2 1 +ATOM 3120 N N . THR B 2 200 ? 65.222 16.694 7.763 1.00 70.42 ? ? ? ? ? ? 206 THR H N 1 +ATOM 3121 C CA . THR B 2 200 ? 63.949 17.403 7.682 1.00 68.72 ? ? ? ? ? ? 206 THR H CA 1 +ATOM 3122 C C . THR B 2 200 ? 62.695 16.539 7.764 1.00 64.48 ? ? ? ? ? ? 206 THR H C 1 +ATOM 3123 O O . THR B 2 200 ? 62.663 15.388 7.322 1.00 61.74 ? ? ? ? ? ? 206 THR H O 1 +ATOM 3124 C CB . THR B 2 200 ? 63.871 18.260 6.385 1.00 71.64 ? ? ? ? ? ? 206 THR H CB 1 +ATOM 3125 O OG1 . THR B 2 200 ? 65.065 19.045 6.261 1.00 74.89 ? ? ? ? ? ? 206 THR H OG1 1 +ATOM 3126 C CG2 . THR B 2 200 ? 62.657 19.198 6.419 1.00 68.98 ? ? ? ? ? ? 206 THR H CG2 1 +ATOM 3127 N N . CYS B 2 201 ? 61.661 17.140 8.337 1.00 61.55 ? ? ? ? ? ? 208 CYS H N 1 +ATOM 3128 C CA . CYS B 2 201 ? 60.366 16.509 8.512 1.00 58.72 ? ? ? ? ? ? 208 CYS H CA 1 +ATOM 3129 C C . CYS B 2 201 ? 59.376 17.226 7.609 1.00 54.56 ? ? ? ? ? ? 208 CYS H C 1 +ATOM 3130 O O . CYS B 2 201 ? 59.158 18.430 7.734 1.00 48.56 ? ? ? ? ? ? 208 CYS H O 1 +ATOM 3131 C CB . CYS B 2 201 ? 59.937 16.641 9.970 1.00 62.23 ? ? ? ? ? ? 208 CYS H CB 1 +ATOM 3132 S SG . CYS B 2 201 ? 58.315 15.945 10.389 1.00 59.43 ? ? ? ? ? ? 208 CYS H SG 1 +ATOM 3133 N N . ASN B 2 202 ? 58.776 16.480 6.696 1.00 53.95 ? ? ? ? ? ? 209 ASN H N 1 +ATOM 3134 C CA . ASN B 2 202 ? 57.829 17.074 5.774 1.00 54.39 ? ? ? ? ? ? 209 ASN H CA 1 +ATOM 3135 C C . ASN B 2 202 ? 56.425 16.494 5.914 1.00 54.97 ? ? ? ? ? ? 209 ASN H C 1 +ATOM 3136 O O . ASN B 2 202 ? 56.148 15.358 5.509 1.00 53.25 ? ? ? ? ? ? 209 ASN H O 1 +ATOM 3137 C CB . ASN B 2 202 ? 58.343 16.907 4.343 1.00 52.06 ? ? ? ? ? ? 209 ASN H CB 1 +ATOM 3138 C CG . ASN B 2 202 ? 59.831 16.607 4.295 1.00 47.87 ? ? ? ? ? ? 209 ASN H CG 1 +ATOM 3139 O OD1 . ASN B 2 202 ? 60.231 15.457 4.124 1.00 46.64 ? ? ? ? ? ? 209 ASN H OD1 1 +ATOM 3140 N ND2 . ASN B 2 202 ? 60.657 17.641 4.452 1.00 41.73 ? ? ? ? ? ? 209 ASN H ND2 1 +ATOM 3141 N N . VAL B 2 203 ? 55.544 17.298 6.502 1.00 56.76 ? ? ? ? ? ? 210 VAL H N 1 +ATOM 3142 C CA . VAL B 2 203 ? 54.156 16.908 6.710 1.00 55.88 ? ? ? ? ? ? 210 VAL H CA 1 +ATOM 3143 C C . VAL B 2 203 ? 53.247 17.762 5.839 1.00 55.38 ? ? ? ? ? ? 210 VAL H C 1 +ATOM 3144 O O . VAL B 2 203 ? 53.306 18.996 5.864 1.00 52.82 ? ? ? ? ? ? 210 VAL H O 1 +ATOM 3145 C CB . VAL B 2 203 ? 53.741 17.080 8.177 1.00 54.40 ? ? ? ? ? ? 210 VAL H CB 1 +ATOM 3146 C CG1 . VAL B 2 203 ? 52.268 16.750 8.339 1.00 55.99 ? ? ? ? ? ? 210 VAL H CG1 1 +ATOM 3147 C CG2 . VAL B 2 203 ? 54.588 16.179 9.051 1.00 54.85 ? ? ? ? ? ? 210 VAL H CG2 1 +ATOM 3148 N N . ALA B 2 204 ? 52.408 17.090 5.065 1.00 54.60 ? ? ? ? ? ? 211 ALA H N 1 +ATOM 3149 C CA . ALA B 2 204 ? 51.495 17.780 4.181 1.00 54.70 ? ? ? ? ? ? 211 ALA H CA 1 +ATOM 3150 C C . ALA B 2 204 ? 50.068 17.307 4.392 1.00 55.56 ? ? ? ? ? ? 211 ALA H C 1 +ATOM 3151 O O . ALA B 2 204 ? 49.795 16.107 4.490 1.00 53.10 ? ? ? ? ? ? 211 ALA H O 1 +ATOM 3152 C CB . ALA B 2 204 ? 51.911 17.553 2.735 1.00 54.06 ? ? ? ? ? ? 211 ALA H CB 1 +ATOM 3153 N N . HIS B 2 205 ? 49.153 18.261 4.475 1.00 56.38 ? ? ? ? ? ? 212 HIS H N 1 +ATOM 3154 C CA . HIS B 2 205 ? 47.759 17.916 4.640 1.00 57.08 ? ? ? ? ? ? 212 HIS H CA 1 +ATOM 3155 C C . HIS B 2 205 ? 47.026 18.114 3.308 1.00 61.21 ? ? ? ? ? ? 212 HIS H C 1 +ATOM 3156 O O . HIS B 2 205 ? 46.896 19.239 2.815 1.00 61.18 ? ? ? ? ? ? 212 HIS H O 1 +ATOM 3157 C CB . HIS B 2 205 ? 47.123 18.771 5.729 1.00 49.72 ? ? ? ? ? ? 212 HIS H CB 1 +ATOM 3158 C CG . HIS B 2 205 ? 45.834 18.215 6.239 1.00 43.54 ? ? ? ? ? ? 212 HIS H CG 1 +ATOM 3159 N ND1 . HIS B 2 205 ? 44.798 19.013 6.674 1.00 42.37 ? ? ? ? ? ? 212 HIS H ND1 1 +ATOM 3160 C CD2 . HIS B 2 205 ? 45.403 16.938 6.361 1.00 42.43 ? ? ? ? ? ? 212 HIS H CD2 1 +ATOM 3161 C CE1 . HIS B 2 205 ? 43.784 18.251 7.041 1.00 40.12 ? ? ? ? ? ? 212 HIS H CE1 1 +ATOM 3162 N NE2 . HIS B 2 205 ? 44.125 16.988 6.860 1.00 40.46 ? ? ? ? ? ? 212 HIS H NE2 1 +ATOM 3163 N N . PRO B 2 206 ? 46.562 17.009 2.698 1.00 63.87 ? ? ? ? ? ? 213 PRO H N 1 +ATOM 3164 C CA . PRO B 2 206 ? 45.841 17.034 1.421 1.00 66.99 ? ? ? ? ? ? 213 PRO H CA 1 +ATOM 3165 C C . PRO B 2 206 ? 44.564 17.876 1.440 1.00 69.60 ? ? ? ? ? ? 213 PRO H C 1 +ATOM 3166 O O . PRO B 2 206 ? 44.261 18.575 0.477 1.00 73.58 ? ? ? ? ? ? 213 PRO H O 1 +ATOM 3167 C CB . PRO B 2 206 ? 45.539 15.557 1.142 1.00 66.00 ? ? ? ? ? ? 213 PRO H CB 1 +ATOM 3168 C CG . PRO B 2 206 ? 46.497 14.795 1.986 1.00 66.01 ? ? ? ? ? ? 213 PRO H CG 1 +ATOM 3169 C CD . PRO B 2 206 ? 46.732 15.636 3.203 1.00 65.85 ? ? ? ? ? ? 213 PRO H CD 1 +ATOM 3170 N N . ALA B 2 207 ? 43.820 17.815 2.538 1.00 70.44 ? ? ? ? ? ? 214 ALA H N 1 +ATOM 3171 C CA . ALA B 2 207 ? 42.572 18.560 2.641 1.00 69.86 ? ? ? ? ? ? 214 ALA H CA 1 +ATOM 3172 C C . ALA B 2 207 ? 42.712 20.075 2.792 1.00 70.03 ? ? ? ? ? ? 214 ALA H C 1 +ATOM 3173 O O . ALA B 2 207 ? 42.193 20.834 1.975 1.00 70.53 ? ? ? ? ? ? 214 ALA H O 1 +ATOM 3174 C CB . ALA B 2 207 ? 41.748 18.008 3.777 1.00 71.17 ? ? ? ? ? ? 214 ALA H CB 1 +ATOM 3175 N N . SER B 2 208 ? 43.396 20.524 3.836 1.00 69.71 ? ? ? ? ? ? 215 SER H N 1 +ATOM 3176 C CA . SER B 2 208 ? 43.550 21.957 4.051 1.00 71.75 ? ? ? ? ? ? 215 SER H CA 1 +ATOM 3177 C C . SER B 2 208 ? 44.606 22.546 3.132 1.00 74.73 ? ? ? ? ? ? 215 SER H C 1 +ATOM 3178 O O . SER B 2 208 ? 44.883 23.748 3.176 1.00 75.02 ? ? ? ? ? ? 215 SER H O 1 +ATOM 3179 C CB . SER B 2 208 ? 43.912 22.242 5.514 1.00 69.94 ? ? ? ? ? ? 215 SER H CB 1 +ATOM 3180 O OG . SER B 2 208 ? 45.201 21.753 5.838 1.00 68.49 ? ? ? ? ? ? 215 SER H OG 1 +ATOM 3181 N N . SER B 2 209 ? 45.186 21.693 2.292 1.00 77.47 ? ? ? ? ? ? 216 SER H N 1 +ATOM 3182 C CA . SER B 2 209 ? 46.224 22.114 1.356 1.00 80.64 ? ? ? ? ? ? 216 SER H CA 1 +ATOM 3183 C C . SER B 2 209 ? 47.388 22.809 2.065 1.00 80.11 ? ? ? ? ? ? 216 SER H C 1 +ATOM 3184 O O . SER B 2 209 ? 47.839 23.878 1.643 1.00 80.56 ? ? ? ? ? ? 216 SER H O 1 +ATOM 3185 C CB . SER B 2 209 ? 45.636 23.049 0.294 1.00 82.50 ? ? ? ? ? ? 216 SER H CB 1 +ATOM 3186 O OG . SER B 2 209 ? 44.548 22.434 -0.371 1.00 87.17 ? ? ? ? ? ? 216 SER H OG 1 +ATOM 3187 N N . THR B 2 210 ? 47.861 22.202 3.151 1.00 79.55 ? ? ? ? ? ? 217 THR H N 1 +ATOM 3188 C CA . THR B 2 210 ? 48.989 22.752 3.894 1.00 78.55 ? ? ? ? ? ? 217 THR H CA 1 +ATOM 3189 C C . THR B 2 210 ? 50.207 21.882 3.638 1.00 76.99 ? ? ? ? ? ? 217 THR H C 1 +ATOM 3190 O O . THR B 2 210 ? 50.110 20.656 3.558 1.00 76.06 ? ? ? ? ? ? 217 THR H O 1 +ATOM 3191 C CB . THR B 2 210 ? 48.748 22.778 5.429 1.00 78.04 ? ? ? ? ? ? 217 THR H CB 1 +ATOM 3192 O OG1 . THR B 2 210 ? 48.170 21.536 5.846 1.00 78.10 ? ? ? ? ? ? 217 THR H OG1 1 +ATOM 3193 C CG2 . THR B 2 210 ? 47.832 23.927 5.816 1.00 77.97 ? ? ? ? ? ? 217 THR H CG2 1 +ATOM 3194 N N . LYS B 2 211 ? 51.352 22.530 3.491 1.00 75.55 ? ? ? ? ? ? 218 LYS H N 1 +ATOM 3195 C CA . LYS B 2 211 ? 52.603 21.830 3.270 1.00 73.90 ? ? ? ? ? ? 218 LYS H CA 1 +ATOM 3196 C C . LYS B 2 211 ? 53.604 22.504 4.187 1.00 74.13 ? ? ? ? ? ? 218 LYS H C 1 +ATOM 3197 O O . LYS B 2 211 ? 53.966 23.661 3.974 1.00 73.06 ? ? ? ? ? ? 218 LYS H O 1 +ATOM 3198 C CB . LYS B 2 211 ? 53.051 21.960 1.813 1.00 72.29 ? ? ? ? ? ? 218 LYS H CB 1 +ATOM 3199 C CG . LYS B 2 211 ? 53.812 20.749 1.284 1.00 70.12 ? ? ? ? ? ? 218 LYS H CG 1 +ATOM 3200 C CD . LYS B 2 211 ? 55.232 20.687 1.841 1.00 67.44 ? ? ? ? ? ? 218 LYS H CD 1 +ATOM 3201 C CE . LYS B 2 211 ? 55.942 19.390 1.445 1.00 66.15 ? ? ? ? ? ? 218 LYS H CE 1 +ATOM 3202 N NZ . LYS B 2 211 ? 56.212 18.484 2.605 1.00 56.93 ? ? ? ? ? ? 218 LYS H NZ 1 +ATOM 3203 N N . VAL B 2 212 ? 54.028 21.788 5.225 1.00 75.02 ? ? ? ? ? ? 219 VAL H N 1 +ATOM 3204 C CA . VAL B 2 212 ? 54.990 22.336 6.170 1.00 74.88 ? ? ? ? ? ? 219 VAL H CA 1 +ATOM 3205 C C . VAL B 2 212 ? 56.185 21.414 6.391 1.00 74.09 ? ? ? ? ? ? 219 VAL H C 1 +ATOM 3206 O O . VAL B 2 212 ? 56.049 20.192 6.448 1.00 72.16 ? ? ? ? ? ? 219 VAL H O 1 +ATOM 3207 C CB . VAL B 2 212 ? 54.331 22.641 7.528 1.00 74.50 ? ? ? ? ? ? 219 VAL H CB 1 +ATOM 3208 C CG1 . VAL B 2 212 ? 55.069 23.789 8.206 1.00 74.27 ? ? ? ? ? ? 219 VAL H CG1 1 +ATOM 3209 C CG2 . VAL B 2 212 ? 52.861 22.989 7.329 1.00 73.40 ? ? ? ? ? ? 219 VAL H CG2 1 +ATOM 3210 N N . ASP B 2 213 ? 57.358 22.023 6.507 1.00 75.34 ? ? ? ? ? ? 220 ASP H N 1 +ATOM 3211 C CA . ASP B 2 213 ? 58.598 21.291 6.715 1.00 77.58 ? ? ? ? ? ? 220 ASP H CA 1 +ATOM 3212 C C . ASP B 2 213 ? 59.166 21.669 8.072 1.00 78.97 ? ? ? ? ? ? 220 ASP H C 1 +ATOM 3213 O O . ASP B 2 213 ? 59.311 22.856 8.378 1.00 79.40 ? ? ? ? ? ? 220 ASP H O 1 +ATOM 3214 C CB . ASP B 2 213 ? 59.614 21.650 5.625 1.00 78.15 ? ? ? ? ? ? 220 ASP H CB 1 +ATOM 3215 C CG . ASP B 2 213 ? 59.378 20.894 4.332 1.00 79.07 ? ? ? ? ? ? 220 ASP H CG 1 +ATOM 3216 O OD1 . ASP B 2 213 ? 59.124 19.675 4.394 1.00 80.17 ? ? ? ? ? ? 220 ASP H OD1 1 +ATOM 3217 O OD2 . ASP B 2 213 ? 59.447 21.517 3.253 1.00 78.99 ? ? ? ? ? ? 220 ASP H OD2 1 +ATOM 3218 N N . LYS B 2 214 ? 59.482 20.666 8.888 1.00 78.69 ? ? ? ? ? ? 221 LYS H N 1 +ATOM 3219 C CA . LYS B 2 214 ? 60.050 20.926 10.203 1.00 77.87 ? ? ? ? ? ? 221 LYS H CA 1 +ATOM 3220 C C . LYS B 2 214 ? 61.479 20.421 10.292 1.00 77.49 ? ? ? ? ? ? 221 LYS H C 1 +ATOM 3221 O O . LYS B 2 214 ? 61.734 19.217 10.253 1.00 74.85 ? ? ? ? ? ? 221 LYS H O 1 +ATOM 3222 C CB . LYS B 2 214 ? 59.207 20.282 11.300 1.00 77.79 ? ? ? ? ? ? 221 LYS H CB 1 +ATOM 3223 C CG . LYS B 2 214 ? 58.947 21.217 12.463 1.00 77.63 ? ? ? ? ? ? 221 LYS H CG 1 +ATOM 3224 C CD . LYS B 2 214 ? 58.287 22.500 11.987 1.00 80.02 ? ? ? ? ? ? 221 LYS H CD 1 +ATOM 3225 C CE . LYS B 2 214 ? 58.975 23.726 12.562 1.00 83.40 ? ? ? ? ? ? 221 LYS H CE 1 +ATOM 3226 N NZ . LYS B 2 214 ? 58.236 24.979 12.223 1.00 88.64 ? ? ? ? ? ? 221 LYS H NZ 1 +ATOM 3227 N N . LYS B 2 215 ? 62.410 21.361 10.409 1.00 79.22 ? ? ? ? ? ? 222 LYS H N 1 +ATOM 3228 C CA . LYS B 2 215 ? 63.822 21.030 10.496 1.00 81.10 ? ? ? ? ? ? 222 LYS H CA 1 +ATOM 3229 C C . LYS B 2 215 ? 64.180 20.648 11.923 1.00 82.04 ? ? ? ? ? ? 222 LYS H C 1 +ATOM 3230 O O . LYS B 2 215 ? 63.960 21.426 12.860 1.00 81.53 ? ? ? ? ? ? 222 LYS H O 1 +ATOM 3231 C CB . LYS B 2 215 ? 64.672 22.223 10.038 1.00 81.85 ? ? ? ? ? ? 222 LYS H CB 1 +ATOM 3232 C CG . LYS B 2 215 ? 66.119 22.189 10.511 1.00 84.61 ? ? ? ? ? ? 222 LYS H CG 1 +ATOM 3233 C CD . LYS B 2 215 ? 67.103 22.341 9.358 1.00 87.09 ? ? ? ? ? ? 222 LYS H CD 1 +ATOM 3234 C CE . LYS B 2 215 ? 68.517 21.938 9.782 1.00 88.25 ? ? ? ? ? ? 222 LYS H CE 1 +ATOM 3235 N NZ . LYS B 2 215 ? 68.622 20.487 10.138 1.00 87.71 ? ? ? ? ? ? 222 LYS H NZ 1 +ATOM 3236 N N . ILE B 2 216 ? 64.718 19.440 12.078 1.00 82.44 ? ? ? ? ? ? 223 ILE H N 1 +ATOM 3237 C CA . ILE B 2 216 ? 65.127 18.939 13.387 1.00 82.16 ? ? ? ? ? ? 223 ILE H CA 1 +ATOM 3238 C C . ILE B 2 216 ? 66.521 19.495 13.691 1.00 82.24 ? ? ? ? ? ? 223 ILE H C 1 +ATOM 3239 O O . ILE B 2 216 ? 67.483 19.220 12.961 1.00 80.21 ? ? ? ? ? ? 223 ILE H O 1 +ATOM 3240 C CB . ILE B 2 216 ? 65.160 17.390 13.408 1.00 81.09 ? ? ? ? ? ? 223 ILE H CB 1 +ATOM 3241 C CG1 . ILE B 2 216 ? 63.892 16.827 12.744 1.00 80.02 ? ? ? ? ? ? 223 ILE H CG1 1 +ATOM 3242 C CG2 . ILE B 2 216 ? 65.305 16.894 14.841 1.00 82.23 ? ? ? ? ? ? 223 ILE H CG2 1 +ATOM 3243 C CD1 . ILE B 2 216 ? 62.638 16.824 13.620 1.00 75.34 ? ? ? ? ? ? 223 ILE H CD1 1 +ATOM 3244 N N . VAL B 2 217 ? 66.611 20.278 14.770 1.00 82.32 ? ? ? ? ? ? 226 VAL H N 1 +ATOM 3245 C CA . VAL B 2 217 ? 67.861 20.923 15.184 1.00 81.62 ? ? ? ? ? ? 226 VAL H CA 1 +ATOM 3246 C C . VAL B 2 217 ? 68.415 20.497 16.555 1.00 81.88 ? ? ? ? ? ? 226 VAL H C 1 +ATOM 3247 O O . VAL B 2 217 ? 67.737 20.737 17.577 1.00 83.87 ? ? ? ? ? ? 226 VAL H O 1 +ATOM 3248 C CB . VAL B 2 217 ? 67.682 22.454 15.195 1.00 81.19 ? ? ? ? ? ? 226 VAL H CB 1 +ATOM 3249 C CG1 . VAL B 2 217 ? 67.609 22.980 13.770 1.00 80.24 ? ? ? ? ? ? 226 VAL H CG1 1 +ATOM 3250 C CG2 . VAL B 2 217 ? 66.415 22.820 15.959 1.00 80.82 ? ? ? ? ? ? 226 VAL H CG2 1 +ATOM 3251 O OXT . VAL B 2 217 ? 69.537 19.945 16.598 1.00 79.18 ? ? ? ? ? ? 226 VAL H OXT 1 +HETATM 3252 N N1 . GEP C 3 . ? 30.452 -13.021 -1.552 1.00 24.17 ? ? ? ? ? ? 212 GEP L N1 1 +HETATM 3253 C C2 . GEP C 3 . ? 31.387 -12.584 -0.415 1.00 22.06 ? ? ? ? ? ? 212 GEP L C2 1 +HETATM 3254 C C3 . GEP C 3 . ? 30.840 -11.319 0.244 1.00 19.83 ? ? ? ? ? ? 212 GEP L C3 1 +HETATM 3255 C C4 . GEP C 3 . ? 29.456 -11.555 0.824 1.00 20.79 ? ? ? ? ? ? 212 GEP L C4 1 +HETATM 3256 C C5 . GEP C 3 . ? 28.485 -12.136 -0.205 1.00 21.69 ? ? ? ? ? ? 212 GEP L C5 1 +HETATM 3257 C C6 . GEP C 3 . ? 29.061 -13.344 -0.977 1.00 22.70 ? ? ? ? ? ? 212 GEP L C6 1 +HETATM 3258 C C7 . GEP C 3 . ? 30.348 -11.888 -2.579 1.00 24.46 ? ? ? ? ? ? 212 GEP L C7 1 +HETATM 3259 C C8 . GEP C 3 . ? 31.033 -14.252 -2.283 1.00 24.56 ? ? ? ? ? ? 212 GEP L C8 1 +HETATM 3260 C C9 . GEP C 3 . ? 30.868 -15.555 -1.491 1.00 19.97 ? ? ? ? ? ? 212 GEP L C9 1 +HETATM 3261 C C10 . GEP C 3 . ? 31.385 -16.672 -2.357 1.00 20.94 ? ? ? ? ? ? 212 GEP L C10 1 +HETATM 3262 C C11 . GEP C 3 . ? 32.751 -16.820 -2.576 1.00 20.86 ? ? ? ? ? ? 212 GEP L C11 1 +HETATM 3263 C C12 . GEP C 3 . ? 33.242 -17.815 -3.433 1.00 23.00 ? ? ? ? ? ? 212 GEP L C12 1 +HETATM 3264 C C13 . GEP C 3 . ? 32.365 -18.693 -4.090 1.00 20.49 ? ? ? ? ? ? 212 GEP L C13 1 +HETATM 3265 C C14 . GEP C 3 . ? 30.988 -18.551 -3.858 1.00 22.80 ? ? ? ? ? ? 212 GEP L C14 1 +HETATM 3266 C C15 . GEP C 3 . ? 30.511 -17.545 -2.997 1.00 18.38 ? ? ? ? ? ? 212 GEP L C15 1 +HETATM 3267 N N16 . GEP C 3 . ? 32.851 -19.654 -5.101 1.00 25.06 ? ? ? ? ? ? 212 GEP L N16 1 +HETATM 3268 C C17 . GEP C 3 . ? 34.182 -19.738 -5.478 1.00 26.61 ? ? ? ? ? ? 212 GEP L C17 1 +HETATM 3269 O O18 . GEP C 3 . ? 35.022 -18.992 -4.990 1.00 29.64 ? ? ? ? ? ? 212 GEP L O18 1 +HETATM 3270 C C19 . GEP C 3 . ? 34.614 -20.744 -6.523 1.00 31.98 ? ? ? ? ? ? 212 GEP L C19 1 +HETATM 3271 C C20 . GEP C 3 . ? 36.015 -20.445 -7.081 1.00 35.90 ? ? ? ? ? ? 212 GEP L C20 1 +HETATM 3272 C C21 . GEP C 3 . ? 36.396 -21.403 -8.218 1.00 35.74 ? ? ? ? ? ? 212 GEP L C21 1 +HETATM 3273 C C22 . GEP C 3 . ? 37.903 -21.524 -8.420 1.00 39.17 ? ? ? ? ? ? 212 GEP L C22 1 +HETATM 3274 O O23 . GEP C 3 . ? 38.660 -20.653 -7.929 1.00 38.08 ? ? ? ? ? ? 212 GEP L O23 1 +HETATM 3275 O O24 . GEP C 3 . ? 38.329 -22.498 -9.077 1.00 42.90 ? ? ? ? ? ? 212 GEP L O24 1 +HETATM 3276 O O . HOH D 4 . ? 31.398 7.252 -3.145 1.00 19.80 ? ? ? ? ? ? 227 HOH H O 1 +HETATM 3277 O O . HOH D 4 . ? 15.592 -3.123 -6.564 1.00 20.64 ? ? ? ? ? ? 228 HOH H O 1 +HETATM 3278 O O . HOH D 4 . ? 26.692 1.471 8.149 1.00 20.83 ? ? ? ? ? ? 229 HOH H O 1 +HETATM 3279 O O . HOH D 4 . ? 28.188 -12.095 -17.537 1.00 21.18 ? ? ? ? ? ? 230 HOH H O 1 +HETATM 3280 O O . HOH D 4 . ? 20.601 2.442 -3.637 1.00 21.21 ? ? ? ? ? ? 231 HOH H O 1 +HETATM 3281 O O . HOH D 4 . ? 33.158 17.057 8.177 1.00 21.50 ? ? ? ? ? ? 232 HOH H O 1 +HETATM 3282 O O . HOH D 4 . ? 38.345 -12.139 -3.701 1.00 22.07 ? ? ? ? ? ? 233 HOH H O 1 +HETATM 3283 O O . HOH D 4 . ? 37.010 4.531 -3.726 1.00 22.13 ? ? ? ? ? ? 234 HOH H O 1 +HETATM 3284 O O . HOH D 4 . ? 27.963 9.995 -3.521 1.00 22.28 ? ? ? ? ? ? 235 HOH H O 1 +HETATM 3285 O O . HOH D 4 . ? 25.826 -7.890 8.971 1.00 22.34 ? ? ? ? ? ? 236 HOH H O 1 +HETATM 3286 O O . HOH D 4 . ? 19.693 11.332 6.026 1.00 23.34 ? ? ? ? ? ? 237 HOH H O 1 +HETATM 3287 O O . HOH D 4 . ? 36.713 9.542 3.849 1.00 23.71 ? ? ? ? ? ? 238 HOH H O 1 +HETATM 3288 O O . HOH D 4 . ? 26.068 17.543 11.546 1.00 24.64 ? ? ? ? ? ? 239 HOH H O 1 +HETATM 3289 O O . HOH D 4 . ? 38.793 -8.995 -6.184 1.00 25.86 ? ? ? ? ? ? 240 HOH H O 1 +HETATM 3290 O O . HOH D 4 . ? 37.892 5.458 -0.846 1.00 26.55 ? ? ? ? ? ? 241 HOH H O 1 +HETATM 3291 O O . HOH D 4 . ? 20.158 -14.192 -13.968 1.00 26.89 ? ? ? ? ? ? 242 HOH H O 1 +HETATM 3292 O O . HOH D 4 . ? 36.326 13.660 13.641 1.00 27.29 ? ? ? ? ? ? 243 HOH H O 1 +HETATM 3293 O O . HOH D 4 . ? 19.607 3.546 -7.728 1.00 27.36 ? ? ? ? ? ? 244 HOH H O 1 +HETATM 3294 O O . HOH D 4 . ? 31.929 11.168 -4.425 1.00 28.61 ? ? ? ? ? ? 245 HOH H O 1 +HETATM 3295 O O . HOH D 4 . ? 32.949 3.611 12.903 1.00 29.13 ? ? ? ? ? ? 246 HOH H O 1 +HETATM 3296 O O . HOH D 4 . ? 16.108 -1.715 -4.067 1.00 29.22 ? ? ? ? ? ? 247 HOH H O 1 +HETATM 3297 O O . HOH D 4 . ? 17.916 -2.229 -13.880 1.00 29.31 ? ? ? ? ? ? 248 HOH H O 1 +HETATM 3298 O O . HOH D 4 . ? 33.999 9.267 -7.266 1.00 29.55 ? ? ? ? ? ? 249 HOH H O 1 +HETATM 3299 O O . HOH D 4 . ? 31.551 3.708 -10.231 1.00 30.46 ? ? ? ? ? ? 250 HOH H O 1 +HETATM 3300 O O . HOH D 4 . ? 24.075 -6.729 -16.342 1.00 30.52 ? ? ? ? ? ? 251 HOH H O 1 +HETATM 3301 O O . HOH D 4 . ? 34.185 -28.925 -11.573 1.00 30.55 ? ? ? ? ? ? 252 HOH H O 1 +HETATM 3302 O O . HOH D 4 . ? 17.397 -1.832 -8.070 1.00 31.05 ? ? ? ? ? ? 253 HOH H O 1 +HETATM 3303 O O . HOH D 4 . ? 67.601 9.733 20.496 1.00 31.33 ? ? ? ? ? ? 254 HOH H O 1 +HETATM 3304 O O . HOH D 4 . ? 37.552 -6.275 -8.532 1.00 31.39 ? ? ? ? ? ? 255 HOH H O 1 +HETATM 3305 O O . HOH D 4 . ? 18.734 -10.987 6.579 1.00 31.55 ? ? ? ? ? ? 256 HOH H O 1 +HETATM 3306 O O . HOH D 4 . ? 18.658 -11.703 -3.658 1.00 32.66 ? ? ? ? ? ? 257 HOH H O 1 +HETATM 3307 O O . HOH D 4 . ? 42.294 -1.224 -2.317 1.00 32.77 ? ? ? ? ? ? 258 HOH H O 1 +HETATM 3308 O O . HOH D 4 . ? 12.351 -7.140 -3.382 1.00 32.91 ? ? ? ? ? ? 259 HOH H O 1 +HETATM 3309 O O . HOH D 4 . ? 17.920 4.408 -3.474 1.00 33.14 ? ? ? ? ? ? 260 HOH H O 1 +HETATM 3310 O O . HOH D 4 . ? 31.542 -9.444 11.821 1.00 33.15 ? ? ? ? ? ? 261 HOH H O 1 +HETATM 3311 O O . HOH D 4 . ? 31.498 -5.132 -19.596 1.00 33.28 ? ? ? ? ? ? 262 HOH H O 1 +HETATM 3312 O O . HOH D 4 . ? 17.134 -4.089 -10.509 1.00 33.33 ? ? ? ? ? ? 263 HOH H O 1 +HETATM 3313 O O . HOH D 4 . ? 19.307 -17.546 2.139 1.00 33.37 ? ? ? ? ? ? 264 HOH H O 1 +HETATM 3314 O O . HOH D 4 . ? 36.093 -15.216 -13.336 1.00 33.84 ? ? ? ? ? ? 265 HOH H O 1 +HETATM 3315 O O . HOH D 4 . ? 38.959 8.294 -3.476 1.00 34.27 ? ? ? ? ? ? 266 HOH H O 1 +HETATM 3316 O O . HOH D 4 . ? 32.064 -1.650 -17.749 1.00 34.34 ? ? ? ? ? ? 267 HOH H O 1 +HETATM 3317 O O . HOH D 4 . ? 39.469 11.591 8.375 1.00 34.92 ? ? ? ? ? ? 268 HOH H O 1 +HETATM 3318 O O . HOH D 4 . ? 14.545 -2.647 3.695 1.00 34.94 ? ? ? ? ? ? 269 HOH H O 1 +HETATM 3319 O O . HOH D 4 . ? 40.984 -1.716 1.272 1.00 35.16 ? ? ? ? ? ? 270 HOH H O 1 +HETATM 3320 O O . HOH D 4 . ? 38.158 1.271 7.772 1.00 35.25 ? ? ? ? ? ? 271 HOH H O 1 +HETATM 3321 O O . HOH D 4 . ? 19.724 -15.230 -2.371 1.00 35.68 ? ? ? ? ? ? 272 HOH H O 1 +HETATM 3322 O O . HOH D 4 . ? 20.819 9.519 -3.346 1.00 35.77 ? ? ? ? ? ? 273 HOH H O 1 +HETATM 3323 O O . HOH D 4 . ? 63.339 4.915 14.304 1.00 36.13 ? ? ? ? ? ? 274 HOH H O 1 +HETATM 3324 O O . HOH D 4 . ? 18.647 8.144 -4.265 1.00 36.56 ? ? ? ? ? ? 275 HOH H O 1 +HETATM 3325 O O . HOH D 4 . ? 19.001 4.206 2.391 1.00 36.67 ? ? ? ? ? ? 276 HOH H O 1 +HETATM 3326 O O . HOH D 4 . ? 37.244 5.039 7.845 1.00 36.69 ? ? ? ? ? ? 277 HOH H O 1 +HETATM 3327 O O . HOH D 4 . ? 17.052 -12.236 8.516 1.00 37.12 ? ? ? ? ? ? 278 HOH H O 1 +HETATM 3328 O O . HOH D 4 . ? 17.912 -14.713 -13.377 1.00 37.22 ? ? ? ? ? ? 279 HOH H O 1 +HETATM 3329 O O . HOH D 4 . ? 26.505 -3.771 -19.685 1.00 37.87 ? ? ? ? ? ? 280 HOH H O 1 +HETATM 3330 O O . HOH D 4 . ? 26.009 -17.204 -6.166 1.00 38.52 ? ? ? ? ? ? 281 HOH H O 1 +HETATM 3331 O O . HOH D 4 . ? 15.471 -0.367 2.795 1.00 38.80 ? ? ? ? ? ? 282 HOH H O 1 +HETATM 3332 O O . HOH D 4 . ? 17.377 -14.561 -7.369 1.00 39.50 ? ? ? ? ? ? 283 HOH H O 1 +HETATM 3333 O O . HOH D 4 . ? 35.765 8.258 11.716 1.00 39.76 ? ? ? ? ? ? 284 HOH H O 1 +HETATM 3334 O O . HOH D 4 . ? 40.525 0.207 -8.134 1.00 40.18 ? ? ? ? ? ? 285 HOH H O 1 +HETATM 3335 O O . HOH D 4 . ? 35.666 -30.573 -12.930 1.00 40.61 ? ? ? ? ? ? 286 HOH H O 1 +HETATM 3336 O O . HOH D 4 . ? 26.970 -1.233 -19.535 1.00 40.65 ? ? ? ? ? ? 287 HOH H O 1 +HETATM 3337 O O . HOH D 4 . ? 16.896 -14.172 -10.756 1.00 40.75 ? ? ? ? ? ? 288 HOH H O 1 +HETATM 3338 O O . HOH D 4 . ? 32.503 13.128 -0.815 1.00 40.82 ? ? ? ? ? ? 289 HOH H O 1 +HETATM 3339 O O . HOH D 4 . ? 15.245 -3.107 -1.781 1.00 41.57 ? ? ? ? ? ? 290 HOH H O 1 +HETATM 3340 O O . HOH D 4 . ? 46.754 7.282 10.818 1.00 42.49 ? ? ? ? ? ? 291 HOH H O 1 +HETATM 3341 O O . HOH D 4 . ? 32.717 -3.445 10.863 1.00 42.64 ? ? ? ? ? ? 292 HOH H O 1 +HETATM 3342 O O . HOH D 4 . ? 13.673 -6.564 0.405 1.00 42.68 ? ? ? ? ? ? 293 HOH H O 1 +HETATM 3343 O O . HOH D 4 . ? 26.377 -16.461 -10.153 1.00 43.93 ? ? ? ? ? ? 294 HOH H O 1 +HETATM 3344 O O . HOH D 4 . ? 16.406 1.072 -9.931 1.00 44.02 ? ? ? ? ? ? 295 HOH H O 1 +HETATM 3345 O O . HOH D 4 . ? 36.008 21.225 14.235 1.00 44.77 ? ? ? ? ? ? 296 HOH H O 1 +HETATM 3346 O O . HOH D 4 . ? 38.415 22.514 13.595 1.00 46.05 ? ? ? ? ? ? 297 HOH H O 1 +HETATM 3347 O O . HOH D 4 . ? 30.318 -19.320 -15.959 1.00 47.31 ? ? ? ? ? ? 298 HOH H O 1 +HETATM 3348 O O . HOH D 4 . ? 30.734 5.292 16.207 1.00 47.42 ? ? ? ? ? ? 299 HOH H O 1 +HETATM 3349 O O . HOH D 4 . ? 41.318 -4.966 10.477 1.00 47.94 ? ? ? ? ? ? 300 HOH H O 1 +HETATM 3350 O O . HOH D 4 . ? 20.164 -13.483 -16.579 1.00 48.27 ? ? ? ? ? ? 301 HOH H O 1 +HETATM 3351 O O . HOH D 4 . ? 16.764 11.818 10.555 1.00 49.04 ? ? ? ? ? ? 302 HOH H O 1 +HETATM 3352 O O . HOH D 4 . ? 40.601 2.645 -1.118 1.00 49.14 ? ? ? ? ? ? 303 HOH H O 1 +HETATM 3353 O O . HOH D 4 . ? 77.494 11.621 4.412 1.00 49.24 ? ? ? ? ? ? 304 HOH H O 1 +HETATM 3354 O O . HOH D 4 . ? 18.486 -6.057 14.605 1.00 50.41 ? ? ? ? ? ? 305 HOH H O 1 +HETATM 3355 O O . HOH D 4 . ? 71.151 20.055 11.678 1.00 50.62 ? ? ? ? ? ? 306 HOH H O 1 +HETATM 3356 O O . HOH D 4 . ? 14.508 -2.115 -10.918 1.00 50.83 ? ? ? ? ? ? 307 HOH H O 1 +HETATM 3357 O O . HOH D 4 . ? 69.565 13.102 -0.002 1.00 51.23 ? ? ? ? ? ? 308 HOH H O 1 +HETATM 3358 O O . HOH D 4 . ? 40.460 1.257 1.309 1.00 51.61 ? ? ? ? ? ? 309 HOH H O 1 +HETATM 3359 O O . HOH D 4 . ? 40.734 -0.987 9.249 1.00 52.62 ? ? ? ? ? ? 310 HOH H O 1 +HETATM 3360 O O . HOH D 4 . ? 63.478 16.954 1.953 1.00 53.10 ? ? ? ? ? ? 311 HOH H O 1 +HETATM 3361 O O . HOH D 4 . ? 18.616 13.130 9.020 1.00 54.12 ? ? ? ? ? ? 312 HOH H O 1 +HETATM 3362 O O . HOH D 4 . ? 28.410 -18.478 -13.134 1.00 54.31 ? ? ? ? ? ? 313 HOH H O 1 +HETATM 3363 O O . HOH D 4 . ? 40.690 3.791 -4.354 1.00 56.34 ? ? ? ? ? ? 314 HOH H O 1 +HETATM 3364 O O . HOH D 4 . ? 35.565 19.701 16.824 1.00 57.45 ? ? ? ? ? ? 315 HOH H O 1 +HETATM 3365 O O . HOH D 4 . ? 52.239 25.626 4.346 1.00 58.34 ? ? ? ? ? ? 316 HOH H O 1 +HETATM 3366 O O . HOH D 4 . ? 30.497 -7.474 -20.243 1.00 58.36 ? ? ? ? ? ? 317 HOH H O 1 +HETATM 3367 O O . HOH D 4 . ? 40.435 4.788 5.242 1.00 58.96 ? ? ? ? ? ? 318 HOH H O 1 +HETATM 3368 O O . HOH D 4 . ? 45.240 -3.548 10.561 1.00 59.02 ? ? ? ? ? ? 319 HOH H O 1 +HETATM 3369 O O . HOH D 4 . ? 18.062 -9.958 -20.676 1.00 60.18 ? ? ? ? ? ? 320 HOH H O 1 +HETATM 3370 O O . HOH D 4 . ? 10.935 -9.088 -8.722 1.00 61.71 ? ? ? ? ? ? 321 HOH H O 1 +HETATM 3371 O O . HOH D 4 . ? 32.517 22.504 14.822 1.00 63.61 ? ? ? ? ? ? 322 HOH H O 1 +HETATM 3372 O O . HOH D 4 . ? 45.551 19.732 23.075 1.00 64.65 ? ? ? ? ? ? 323 HOH H O 1 +HETATM 3373 O O . HOH D 4 . ? 39.597 8.199 7.179 1.00 65.66 ? ? ? ? ? ? 324 HOH H O 1 +HETATM 3374 O O . HOH D 4 . ? 33.532 0.329 -16.476 1.00 65.82 ? ? ? ? ? ? 325 HOH H O 1 +HETATM 3375 O O . HOH D 4 . ? 43.173 -2.217 17.519 1.00 65.89 ? ? ? ? ? ? 326 HOH H O 1 +HETATM 3376 O O . HOH D 4 . ? 42.203 -4.697 13.756 1.00 65.98 ? ? ? ? ? ? 327 HOH H O 1 +HETATM 3377 O O . HOH D 4 . ? 72.235 19.907 16.381 1.00 71.43 ? ? ? ? ? ? 328 HOH H O 1 +HETATM 3378 O O . HOH D 4 . ? 14.540 -11.146 -15.885 1.00 71.47 ? ? ? ? ? ? 329 HOH H O 1 +HETATM 3379 O O . HOH D 4 . ? 69.138 6.644 20.888 1.00 71.89 ? ? ? ? ? ? 330 HOH H O 1 +HETATM 3380 O O . HOH D 4 . ? 15.390 2.139 3.797 1.00 71.92 ? ? ? ? ? ? 331 HOH H O 1 +HETATM 3381 O O . HOH D 4 . ? 13.244 -13.611 -12.311 1.00 72.75 ? ? ? ? ? ? 332 HOH H O 1 +HETATM 3382 O O . HOH D 4 . ? 24.535 3.474 11.855 1.00 75.97 ? ? ? ? ? ? 333 HOH H O 1 +HETATM 3383 O O . HOH D 4 . ? 47.878 9.548 2.771 1.00 77.36 ? ? ? ? ? ? 334 HOH H O 1 +HETATM 3384 O O . HOH D 4 . ? 61.228 6.922 -0.216 1.00 81.54 ? ? ? ? ? ? 335 HOH H O 1 +HETATM 3385 O O . HOH D 4 . ? 43.877 -0.548 9.499 1.00 91.54 ? ? ? ? ? ? 336 HOH H O 1 +HETATM 3386 O O . HOH D 4 . ? 38.519 -2.615 -16.251 1.00 93.99 ? ? ? ? ? ? 337 HOH H O 1 +HETATM 3387 O O . HOH E 4 . ? 40.778 6.991 28.649 0.50 37.01 ? ? ? ? ? ? 213 HOH L O 1 +HETATM 3388 O O . HOH E 4 . ? 38.119 -29.969 -2.347 1.00 19.32 ? ? ? ? ? ? 214 HOH L O 1 +HETATM 3389 O O . HOH E 4 . ? 37.966 -24.817 6.001 1.00 19.90 ? ? ? ? ? ? 215 HOH L O 1 +HETATM 3390 O O . HOH E 4 . ? 42.918 -27.429 7.855 1.00 21.55 ? ? ? ? ? ? 216 HOH L O 1 +HETATM 3391 O O . HOH E 4 . ? 34.526 -9.871 11.357 1.00 21.93 ? ? ? ? ? ? 217 HOH L O 1 +HETATM 3392 O O . HOH E 4 . ? 42.012 -7.139 8.649 1.00 22.56 ? ? ? ? ? ? 218 HOH L O 1 +HETATM 3393 O O . HOH E 4 . ? 29.051 -20.343 -1.464 1.00 23.63 ? ? ? ? ? ? 219 HOH L O 1 +HETATM 3394 O O . HOH E 4 . ? 40.561 -19.121 12.398 1.00 24.25 ? ? ? ? ? ? 220 HOH L O 1 +HETATM 3395 O O . HOH E 4 . ? 22.876 -16.236 9.353 1.00 24.63 ? ? ? ? ? ? 221 HOH L O 1 +HETATM 3396 O O . HOH E 4 . ? 34.258 -32.792 9.412 1.00 24.71 ? ? ? ? ? ? 222 HOH L O 1 +HETATM 3397 O O . HOH E 4 . ? 44.424 -7.827 1.525 1.00 24.79 ? ? ? ? ? ? 223 HOH L O 1 +HETATM 3398 O O . HOH E 4 . ? 35.471 -14.691 16.097 1.00 25.36 ? ? ? ? ? ? 224 HOH L O 1 +HETATM 3399 O O . HOH E 4 . ? 48.806 -7.850 9.083 1.00 25.56 ? ? ? ? ? ? 225 HOH L O 1 +HETATM 3400 O O . HOH E 4 . ? 42.552 -26.921 -4.084 1.00 26.22 ? ? ? ? ? ? 226 HOH L O 1 +HETATM 3401 O O . HOH E 4 . ? 29.620 -14.209 13.092 1.00 26.59 ? ? ? ? ? ? 227 HOH L O 1 +HETATM 3402 O O . HOH E 4 . ? 43.820 -29.157 6.393 1.00 27.09 ? ? ? ? ? ? 228 HOH L O 1 +HETATM 3403 O O . HOH E 4 . ? 38.536 -14.039 16.560 1.00 27.13 ? ? ? ? ? ? 229 HOH L O 1 +HETATM 3404 O O . HOH E 4 . ? 43.135 -7.608 -2.164 1.00 27.44 ? ? ? ? ? ? 230 HOH L O 1 +HETATM 3405 O O . HOH E 4 . ? 59.758 -21.353 5.856 1.00 27.78 ? ? ? ? ? ? 231 HOH L O 1 +HETATM 3406 O O . HOH E 4 . ? 45.876 -10.168 0.877 1.00 27.89 ? ? ? ? ? ? 232 HOH L O 1 +HETATM 3407 O O . HOH E 4 . ? 46.201 -7.708 9.336 1.00 28.20 ? ? ? ? ? ? 233 HOH L O 1 +HETATM 3408 O O . HOH E 4 . ? 28.294 -29.583 6.393 1.00 28.58 ? ? ? ? ? ? 234 HOH L O 1 +HETATM 3409 O O . HOH E 4 . ? 59.345 -1.585 14.955 1.00 29.15 ? ? ? ? ? ? 235 HOH L O 1 +HETATM 3410 O O . HOH E 4 . ? 27.536 -19.912 -3.890 1.00 29.48 ? ? ? ? ? ? 236 HOH L O 1 +HETATM 3411 O O . HOH E 4 . ? 48.399 -27.505 4.599 1.00 29.51 ? ? ? ? ? ? 237 HOH L O 1 +HETATM 3412 O O . HOH E 4 . ? 19.993 -17.675 9.247 1.00 29.70 ? ? ? ? ? ? 238 HOH L O 1 +HETATM 3413 O O . HOH E 4 . ? 27.520 -10.083 8.119 1.00 29.71 ? ? ? ? ? ? 239 HOH L O 1 +HETATM 3414 O O . HOH E 4 . ? 29.463 -11.143 10.617 1.00 29.98 ? ? ? ? ? ? 240 HOH L O 1 +HETATM 3415 O O . HOH E 4 . ? 33.950 -29.203 1.018 1.00 30.56 ? ? ? ? ? ? 241 HOH L O 1 +HETATM 3416 O O . HOH E 4 . ? 45.704 -27.795 0.200 1.00 31.35 ? ? ? ? ? ? 242 HOH L O 1 +HETATM 3417 O O . HOH E 4 . ? 49.927 -9.905 11.213 1.00 31.41 ? ? ? ? ? ? 243 HOH L O 1 +HETATM 3418 O O . HOH E 4 . ? 37.047 -21.639 16.560 1.00 31.60 ? ? ? ? ? ? 244 HOH L O 1 +HETATM 3419 O O . HOH E 4 . ? 22.763 -15.970 -2.479 1.00 31.65 ? ? ? ? ? ? 245 HOH L O 1 +HETATM 3420 O O . HOH E 4 . ? 28.233 -23.869 -4.116 1.00 32.33 ? ? ? ? ? ? 246 HOH L O 1 +HETATM 3421 O O . HOH E 4 . ? 49.234 -28.486 2.250 1.00 32.53 ? ? ? ? ? ? 247 HOH L O 1 +HETATM 3422 O O . HOH E 4 . ? 44.405 -6.723 7.834 1.00 33.72 ? ? ? ? ? ? 248 HOH L O 1 +HETATM 3423 O O . HOH E 4 . ? 22.405 -20.176 14.845 1.00 33.75 ? ? ? ? ? ? 249 HOH L O 1 +HETATM 3424 O O . HOH E 4 . ? 26.583 -23.740 -2.389 1.00 33.76 ? ? ? ? ? ? 250 HOH L O 1 +HETATM 3425 O O . HOH E 4 . ? 39.823 -31.764 3.406 1.00 33.84 ? ? ? ? ? ? 251 HOH L O 1 +HETATM 3426 O O . HOH E 4 . ? 57.250 -1.804 8.003 1.00 33.85 ? ? ? ? ? ? 252 HOH L O 1 +HETATM 3427 O O . HOH E 4 . ? 63.056 -3.737 29.039 1.00 34.16 ? ? ? ? ? ? 253 HOH L O 1 +HETATM 3428 O O . HOH E 4 . ? 44.786 5.338 23.329 1.00 34.55 ? ? ? ? ? ? 254 HOH L O 1 +HETATM 3429 O O . HOH E 4 . ? 47.869 -17.549 20.181 1.00 34.56 ? ? ? ? ? ? 255 HOH L O 1 +HETATM 3430 O O . HOH E 4 . ? 40.327 -27.706 -5.519 1.00 34.77 ? ? ? ? ? ? 256 HOH L O 1 +HETATM 3431 O O . HOH E 4 . ? 52.905 -10.192 5.003 1.00 34.91 ? ? ? ? ? ? 257 HOH L O 1 +HETATM 3432 O O . HOH E 4 . ? 42.069 -15.017 -4.276 1.00 35.60 ? ? ? ? ? ? 258 HOH L O 1 +HETATM 3433 O O . HOH E 4 . ? 42.504 -10.549 15.872 1.00 36.83 ? ? ? ? ? ? 259 HOH L O 1 +HETATM 3434 O O . HOH E 4 . ? 56.404 2.235 10.445 1.00 36.87 ? ? ? ? ? ? 260 HOH L O 1 +HETATM 3435 O O . HOH E 4 . ? 53.248 -8.841 9.640 1.00 37.35 ? ? ? ? ? ? 261 HOH L O 1 +HETATM 3436 O O . HOH E 4 . ? 49.045 -23.741 14.814 1.00 37.45 ? ? ? ? ? ? 262 HOH L O 1 +HETATM 3437 O O . HOH E 4 . ? 40.685 -30.675 -5.996 1.00 37.50 ? ? ? ? ? ? 263 HOH L O 1 +HETATM 3438 O O . HOH E 4 . ? 63.025 0.653 11.453 1.00 37.62 ? ? ? ? ? ? 264 HOH L O 1 +HETATM 3439 O O . HOH E 4 . ? 39.957 -17.893 -7.068 1.00 37.83 ? ? ? ? ? ? 265 HOH L O 1 +HETATM 3440 O O . HOH E 4 . ? 47.381 -23.394 17.443 1.00 37.94 ? ? ? ? ? ? 266 HOH L O 1 +HETATM 3441 O O . HOH E 4 . ? 59.573 -23.345 4.729 1.00 38.51 ? ? ? ? ? ? 267 HOH L O 1 +HETATM 3442 O O . HOH E 4 . ? 50.337 -13.558 0.226 1.00 38.71 ? ? ? ? ? ? 268 HOH L O 1 +HETATM 3443 O O . HOH E 4 . ? 49.914 -8.633 7.016 1.00 38.72 ? ? ? ? ? ? 269 HOH L O 1 +HETATM 3444 O O . HOH E 4 . ? 53.031 -29.640 8.627 1.00 38.89 ? ? ? ? ? ? 270 HOH L O 1 +HETATM 3445 O O . HOH E 4 . ? 50.192 -10.152 -0.234 1.00 38.94 ? ? ? ? ? ? 271 HOH L O 1 +HETATM 3446 O O . HOH E 4 . ? 22.950 -16.764 17.026 1.00 39.18 ? ? ? ? ? ? 272 HOH L O 1 +HETATM 3447 O O . HOH E 4 . ? 40.129 -33.074 1.030 1.00 39.29 ? ? ? ? ? ? 273 HOH L O 1 +HETATM 3448 O O . HOH E 4 . ? 53.914 -11.251 17.061 1.00 39.59 ? ? ? ? ? ? 274 HOH L O 1 +HETATM 3449 O O . HOH E 4 . ? 28.220 -18.774 18.400 1.00 40.44 ? ? ? ? ? ? 275 HOH L O 1 +HETATM 3450 O O . HOH E 4 . ? 26.602 -30.437 12.105 1.00 40.46 ? ? ? ? ? ? 276 HOH L O 1 +HETATM 3451 O O . HOH E 4 . ? 44.367 -14.663 21.259 1.00 40.46 ? ? ? ? ? ? 277 HOH L O 1 +HETATM 3452 O O . HOH E 4 . ? 34.454 -8.018 14.279 1.00 41.22 ? ? ? ? ? ? 278 HOH L O 1 +HETATM 3453 O O . HOH E 4 . ? 41.088 -9.939 14.046 1.00 41.33 ? ? ? ? ? ? 279 HOH L O 1 +HETATM 3454 O O . HOH E 4 . ? 65.979 -2.780 19.660 1.00 41.53 ? ? ? ? ? ? 280 HOH L O 1 +HETATM 3455 O O . HOH E 4 . ? 50.596 -18.149 19.400 1.00 41.66 ? ? ? ? ? ? 281 HOH L O 1 +HETATM 3456 O O . HOH E 4 . ? 16.920 -12.683 4.560 1.00 42.00 ? ? ? ? ? ? 282 HOH L O 1 +HETATM 3457 O O . HOH E 4 . ? 23.749 -18.452 -0.824 1.00 42.02 ? ? ? ? ? ? 283 HOH L O 1 +HETATM 3458 O O . HOH E 4 . ? 44.624 2.349 3.538 1.00 42.03 ? ? ? ? ? ? 284 HOH L O 1 +HETATM 3459 O O . HOH E 4 . ? 43.341 -32.371 4.483 1.00 42.21 ? ? ? ? ? ? 285 HOH L O 1 +HETATM 3460 O O . HOH E 4 . ? 42.892 -3.618 6.989 1.00 42.30 ? ? ? ? ? ? 286 HOH L O 1 +HETATM 3461 O O . HOH E 4 . ? 57.325 -0.001 10.952 1.00 42.58 ? ? ? ? ? ? 287 HOH L O 1 +HETATM 3462 O O . HOH E 4 . ? 42.782 -1.972 4.721 1.00 42.77 ? ? ? ? ? ? 288 HOH L O 1 +HETATM 3463 O O . HOH E 4 . ? 24.074 -29.311 6.866 1.00 43.02 ? ? ? ? ? ? 289 HOH L O 1 +HETATM 3464 O O . HOH E 4 . ? 54.506 -6.051 29.872 1.00 43.30 ? ? ? ? ? ? 290 HOH L O 1 +HETATM 3465 O O . HOH E 4 . ? 29.192 -32.531 9.461 1.00 43.51 ? ? ? ? ? ? 291 HOH L O 1 +HETATM 3466 O O . HOH E 4 . ? 61.539 -14.242 10.844 1.00 43.86 ? ? ? ? ? ? 292 HOH L O 1 +HETATM 3467 O O . HOH E 4 . ? 51.282 9.084 20.837 1.00 44.70 ? ? ? ? ? ? 293 HOH L O 1 +HETATM 3468 O O . HOH E 4 . ? 38.222 -29.373 11.164 1.00 44.95 ? ? ? ? ? ? 294 HOH L O 1 +HETATM 3469 O O . HOH E 4 . ? 34.235 -12.982 17.495 1.00 45.57 ? ? ? ? ? ? 295 HOH L O 1 +HETATM 3470 O O . HOH E 4 . ? 57.407 -22.610 20.347 1.00 46.14 ? ? ? ? ? ? 296 HOH L O 1 +HETATM 3471 O O . HOH E 4 . ? 26.619 -31.589 7.229 1.00 46.55 ? ? ? ? ? ? 297 HOH L O 1 +HETATM 3472 O O . HOH E 4 . ? 38.464 -16.317 19.772 1.00 46.63 ? ? ? ? ? ? 298 HOH L O 1 +HETATM 3473 O O . HOH E 4 . ? 23.034 -18.163 -3.913 1.00 47.11 ? ? ? ? ? ? 299 HOH L O 1 +HETATM 3474 O O . HOH E 4 . ? 30.867 -22.093 -4.209 1.00 48.31 ? ? ? ? ? ? 300 HOH L O 1 +HETATM 3475 O O . HOH E 4 . ? 56.698 -1.576 13.137 1.00 48.33 ? ? ? ? ? ? 301 HOH L O 1 +HETATM 3476 O O . HOH E 4 . ? 50.962 -6.430 12.626 1.00 48.60 ? ? ? ? ? ? 302 HOH L O 1 +HETATM 3477 O O . HOH E 4 . ? 64.288 3.788 18.393 1.00 48.75 ? ? ? ? ? ? 303 HOH L O 1 +HETATM 3478 O O . HOH E 4 . ? 36.332 -21.879 19.014 1.00 49.45 ? ? ? ? ? ? 304 HOH L O 1 +HETATM 3479 O O . HOH E 4 . ? 23.276 -26.673 7.020 1.00 49.73 ? ? ? ? ? ? 305 HOH L O 1 +HETATM 3480 O O . HOH E 4 . ? 55.191 -14.170 20.890 1.00 49.83 ? ? ? ? ? ? 306 HOH L O 1 +HETATM 3481 O O . HOH E 4 . ? 30.030 -30.317 13.226 1.00 50.29 ? ? ? ? ? ? 307 HOH L O 1 +HETATM 3482 O O . HOH E 4 . ? 48.314 -4.164 1.415 1.00 50.40 ? ? ? ? ? ? 308 HOH L O 1 +HETATM 3483 O O . HOH E 4 . ? 49.026 -29.999 5.981 1.00 50.87 ? ? ? ? ? ? 309 HOH L O 1 +HETATM 3484 O O . HOH E 4 . ? 62.073 22.325 24.955 1.00 51.27 ? ? ? ? ? ? 310 HOH L O 1 +HETATM 3485 O O . HOH E 4 . ? 66.040 10.481 31.119 1.00 52.74 ? ? ? ? ? ? 311 HOH L O 1 +HETATM 3486 O O . HOH E 4 . ? 63.741 -21.686 7.975 1.00 55.53 ? ? ? ? ? ? 312 HOH L O 1 +HETATM 3487 O O . HOH E 4 . ? 64.842 8.841 36.173 1.00 55.72 ? ? ? ? ? ? 313 HOH L O 1 +HETATM 3488 O O . HOH E 4 . ? 29.733 -25.667 17.456 1.00 56.10 ? ? ? ? ? ? 314 HOH L O 1 +HETATM 3489 O O . HOH E 4 . ? 45.185 -29.978 10.369 1.00 56.91 ? ? ? ? ? ? 315 HOH L O 1 +HETATM 3490 O O . HOH E 4 . ? 56.987 16.598 22.787 1.00 57.70 ? ? ? ? ? ? 316 HOH L O 1 +HETATM 3491 O O . HOH E 4 . ? 40.776 -4.483 -4.469 1.00 57.78 ? ? ? ? ? ? 317 HOH L O 1 +HETATM 3492 O O . HOH E 4 . ? 64.200 -11.988 11.989 1.00 58.23 ? ? ? ? ? ? 318 HOH L O 1 +HETATM 3493 O O . HOH E 4 . ? 30.549 -21.160 17.962 1.00 58.44 ? ? ? ? ? ? 319 HOH L O 1 +HETATM 3494 O O . HOH E 4 . ? 42.236 -29.990 2.212 1.00 58.69 ? ? ? ? ? ? 320 HOH L O 1 +HETATM 3495 O O . HOH E 4 . ? 21.350 -18.904 -6.231 1.00 60.16 ? ? ? ? ? ? 321 HOH L O 1 +HETATM 3496 O O . HOH E 4 . ? 47.827 -2.537 15.308 1.00 63.82 ? ? ? ? ? ? 322 HOH L O 1 +HETATM 3497 O O . HOH E 4 . ? 51.971 -6.647 5.119 1.00 64.37 ? ? ? ? ? ? 323 HOH L O 1 +HETATM 3498 O O . HOH E 4 . ? 58.850 12.559 39.739 1.00 65.84 ? ? ? ? ? ? 324 HOH L O 1 +HETATM 3499 O O . HOH E 4 . ? 55.570 -10.024 6.192 1.00 66.68 ? ? ? ? ? ? 325 HOH L O 1 +HETATM 3500 O O . HOH E 4 . ? 59.280 -8.068 34.923 1.00 69.45 ? ? ? ? ? ? 326 HOH L O 1 +HETATM 3501 O O . HOH E 4 . ? 65.315 0.341 36.714 1.00 72.64 ? ? ? ? ? ? 327 HOH L O 1 +HETATM 3502 O O . HOH E 4 . ? 52.686 -22.106 15.312 1.00 75.17 ? ? ? ? ? ? 328 HOH L O 1 +HETATM 3503 O O . HOH E 4 . ? 20.763 -26.196 1.029 1.00 77.12 ? ? ? ? ? ? 329 HOH L O 1 +HETATM 3504 O O . HOH E 4 . ? 22.030 -21.034 -0.139 1.00 80.32 ? ? ? ? ? ? 330 HOH L O 1 +HETATM 3505 O O . HOH E 4 . ? 65.859 11.209 23.355 1.00 82.69 ? ? ? ? ? ? 331 HOH L O 1 +HETATM 3506 O O . HOH E 4 . ? 35.791 -15.175 20.310 1.00 83.00 ? ? ? ? ? ? 332 HOH L O 1 +HETATM 3507 O O . HOH E 4 . ? 40.931 10.098 33.908 1.00 87.92 ? ? ? ? ? ? 333 HOH L O 1 +# +loop_ +_pdbx_poly_seq_scheme.asym_id +_pdbx_poly_seq_scheme.entity_id +_pdbx_poly_seq_scheme.seq_id +_pdbx_poly_seq_scheme.mon_id +_pdbx_poly_seq_scheme.ndb_seq_num +_pdbx_poly_seq_scheme.pdb_seq_num +_pdbx_poly_seq_scheme.auth_seq_num +_pdbx_poly_seq_scheme.pdb_mon_id +_pdbx_poly_seq_scheme.auth_mon_id +_pdbx_poly_seq_scheme.pdb_strand_id +_pdbx_poly_seq_scheme.pdb_ins_code +_pdbx_poly_seq_scheme.hetero +A 1 1 ASP 1 1 1 ASP ASP L . n +A 1 2 ILE 2 2 2 ILE ILE L . n +A 1 3 VAL 3 3 3 VAL VAL L . n +A 1 4 LEU 4 4 4 LEU LEU L . n +A 1 5 THR 5 5 5 THR THR L . n +A 1 6 GLN 6 6 6 GLN GLN L . n +A 1 7 SER 7 7 7 SER SER L . n +A 1 8 PRO 8 8 8 PRO PRO L . n +A 1 9 ALA 9 9 9 ALA ALA L . n +A 1 10 ILE 10 10 10 ILE ILE L . n +A 1 11 MET 11 11 11 MET MET L . n +A 1 12 SER 12 12 12 SER SER L . n +A 1 13 ALA 13 13 13 ALA ALA L . n +A 1 14 SER 14 14 14 SER SER L . n +A 1 15 LEU 15 15 15 LEU LEU L . n +A 1 16 GLY 16 16 16 GLY GLY L . n +A 1 17 GLU 17 17 17 GLU GLU L . n +A 1 18 ARG 18 18 18 ARG ARG L . n +A 1 19 VAL 19 19 19 VAL VAL L . n +A 1 20 THR 20 20 20 THR THR L . n +A 1 21 MET 21 21 21 MET MET L . n +A 1 22 THR 22 22 22 THR THR L . n +A 1 23 CYS 23 23 23 CYS CYS L . n +A 1 24 THR 24 24 24 THR THR L . n +A 1 25 ALA 25 25 25 ALA ALA L . n +A 1 26 SER 26 26 26 SER SER L . n +A 1 27 SER 27 27 27 SER SER L . n +A 1 28 SER 28 27 27 SER SER L A n +A 1 29 VAL 29 28 28 VAL VAL L . n +A 1 30 SER 30 29 29 SER SER L . n +A 1 31 SER 31 30 30 SER SER L . n +A 1 32 SER 32 31 31 SER SER L . n +A 1 33 ASN 33 32 32 ASN ASN L . n +A 1 34 LEU 34 33 33 LEU LEU L . n +A 1 35 HIS 35 34 34 HIS HIS L . n +A 1 36 TRP 36 35 35 TRP TRP L . n +A 1 37 TYR 37 36 36 TYR TYR L . n +A 1 38 GLN 38 37 37 GLN GLN L . n +A 1 39 GLN 39 38 38 GLN GLN L . n +A 1 40 LYS 40 39 39 LYS LYS L . n +A 1 41 PRO 41 40 40 PRO PRO L . n +A 1 42 GLY 42 41 41 GLY GLY L . n +A 1 43 SER 43 42 42 SER SER L . n +A 1 44 SER 44 43 43 SER SER L . n +A 1 45 PRO 45 44 44 PRO PRO L . n +A 1 46 LYS 46 45 45 LYS LYS L . n +A 1 47 LEU 47 46 46 LEU LEU L . n +A 1 48 TRP 48 47 47 TRP TRP L . n +A 1 49 ILE 49 48 48 ILE ILE L . n +A 1 50 TYR 50 49 49 TYR TYR L . n +A 1 51 SER 51 50 50 SER SER L . n +A 1 52 THR 52 51 51 THR THR L . n +A 1 53 SER 53 52 52 SER SER L . n +A 1 54 ASN 54 53 53 ASN ASN L . n +A 1 55 LEU 55 54 54 LEU LEU L . n +A 1 56 ALA 56 55 55 ALA ALA L . n +A 1 57 SER 57 56 56 SER SER L . n +A 1 58 GLY 58 57 57 GLY GLY L . n +A 1 59 VAL 59 58 58 VAL VAL L . n +A 1 60 PRO 60 59 59 PRO PRO L . n +A 1 61 ALA 61 60 60 ALA ALA L . n +A 1 62 ARG 62 61 61 ARG ARG L . n +A 1 63 PHE 63 62 62 PHE PHE L . n +A 1 64 SER 64 63 63 SER SER L . n +A 1 65 GLY 65 64 64 GLY GLY L . n +A 1 66 SER 66 65 65 SER SER L . n +A 1 67 GLY 67 66 66 GLY GLY L . n +A 1 68 SER 68 67 67 SER SER L . n +A 1 69 GLY 69 68 68 GLY GLY L . n +A 1 70 THR 70 69 69 THR THR L . n +A 1 71 SER 71 70 70 SER SER L . n +A 1 72 TYR 72 71 71 TYR TYR L . n +A 1 73 SER 73 72 72 SER SER L . n +A 1 74 LEU 74 73 73 LEU LEU L . n +A 1 75 THR 75 74 74 THR THR L . n +A 1 76 ILE 76 75 75 ILE ILE L . n +A 1 77 SER 77 76 76 SER SER L . n +A 1 78 SER 78 77 77 SER SER L . n +A 1 79 MET 79 78 78 MET MET L . n +A 1 80 GLU 80 79 79 GLU GLU L . n +A 1 81 ALA 81 80 80 ALA ALA L . n +A 1 82 GLU 82 81 81 GLU GLU L . n +A 1 83 ASP 83 82 82 ASP ASP L . n +A 1 84 ALA 84 83 83 ALA ALA L . n +A 1 85 ALA 85 84 84 ALA ALA L . n +A 1 86 THR 86 85 85 THR THR L . n +A 1 87 TYR 87 86 86 TYR TYR L . n +A 1 88 TYR 88 87 87 TYR TYR L . n +A 1 89 CYS 89 88 88 CYS CYS L . n +A 1 90 HIS 90 89 89 HIS HIS L . n +A 1 91 GLN 91 90 90 GLN GLN L . n +A 1 92 TYR 92 91 91 TYR TYR L . n +A 1 93 HIS 93 92 92 HIS HIS L . n +A 1 94 ARG 94 93 93 ARG ARG L . n +A 1 95 SER 95 94 94 SER SER L . n +A 1 96 PRO 96 95 95 PRO PRO L . n +A 1 97 TYR 97 96 96 TYR TYR L . n +A 1 98 THR 98 97 97 THR THR L . n +A 1 99 PHE 99 98 98 PHE PHE L . n +A 1 100 GLY 100 99 99 GLY GLY L . n +A 1 101 GLY 101 100 100 GLY GLY L . n +A 1 102 GLY 102 101 101 GLY GLY L . n +A 1 103 THR 103 102 102 THR THR L . n +A 1 104 LYS 104 103 103 LYS LYS L . n +A 1 105 LEU 105 104 104 LEU LEU L . n +A 1 106 GLU 106 105 105 GLU GLU L . n +A 1 107 ILE 107 106 106 ILE ILE L . n +A 1 108 LYS 108 107 107 LYS LYS L . n +A 1 109 ARG 109 108 108 ARG ARG L . n +A 1 110 ALA 110 109 109 ALA ALA L . n +A 1 111 ASP 111 110 110 ASP ASP L . n +A 1 112 ALA 112 111 111 ALA ALA L . n +A 1 113 ALA 113 112 112 ALA ALA L . n +A 1 114 PRO 114 113 113 PRO PRO L . n +A 1 115 THR 115 114 114 THR THR L . n +A 1 116 VAL 116 115 115 VAL VAL L . n +A 1 117 SER 117 116 116 SER SER L . n +A 1 118 ILE 118 117 117 ILE ILE L . n +A 1 119 PHE 119 118 118 PHE PHE L . n +A 1 120 PRO 120 119 119 PRO PRO L . n +A 1 121 PRO 121 120 120 PRO PRO L . n +A 1 122 SER 122 121 121 SER SER L . n +A 1 123 SER 123 122 122 SER SER L . n +A 1 124 GLU 124 123 123 GLU GLU L . n +A 1 125 GLN 125 124 124 GLN GLN L . n +A 1 126 LEU 126 125 125 LEU LEU L . n +A 1 127 THR 127 126 126 THR THR L . n +A 1 128 SER 128 127 127 SER SER L . n +A 1 129 GLY 129 128 128 GLY GLY L . n +A 1 130 GLY 130 129 129 GLY GLY L . n +A 1 131 ALA 131 130 130 ALA ALA L . n +A 1 132 SER 132 131 131 SER SER L . n +A 1 133 VAL 133 132 132 VAL VAL L . n +A 1 134 VAL 134 133 133 VAL VAL L . n +A 1 135 CYS 135 134 134 CYS CYS L . n +A 1 136 PHE 136 135 135 PHE PHE L . n +A 1 137 LEU 137 136 136 LEU LEU L . n +A 1 138 ASN 138 137 137 ASN ASN L . n +A 1 139 ASN 139 138 138 ASN ASN L . n +A 1 140 PHE 140 139 139 PHE PHE L . n +A 1 141 TYR 141 140 140 TYR TYR L . n +A 1 142 PRO 142 141 141 PRO PRO L . n +A 1 143 LYS 143 142 142 LYS LYS L . n +A 1 144 ASP 144 143 143 ASP ASP L . n +A 1 145 ILE 145 144 144 ILE ILE L . n +A 1 146 ASN 146 145 145 ASN ASN L . n +A 1 147 VAL 147 146 146 VAL VAL L . n +A 1 148 LYS 148 147 147 LYS LYS L . n +A 1 149 TRP 149 148 148 TRP TRP L . n +A 1 150 LYS 150 149 149 LYS LYS L . n +A 1 151 ILE 151 150 150 ILE ILE L . n +A 1 152 ASP 152 151 151 ASP ASP L . n +A 1 153 GLY 153 152 152 GLY GLY L . n +A 1 154 SER 154 153 153 SER SER L . n +A 1 155 GLU 155 154 154 GLU GLU L . n +A 1 156 ARG 156 155 155 ARG ARG L . n +A 1 157 GLN 157 156 156 GLN GLN L . n +A 1 158 ASN 158 157 157 ASN ASN L . n +A 1 159 GLY 159 158 158 GLY GLY L . n +A 1 160 VAL 160 159 159 VAL VAL L . n +A 1 161 LEU 161 160 160 LEU LEU L . n +A 1 162 ASN 162 161 161 ASN ASN L . n +A 1 163 SER 163 162 162 SER SER L . n +A 1 164 TRP 164 163 163 TRP TRP L . n +A 1 165 THR 165 164 164 THR THR L . n +A 1 166 ASP 166 165 165 ASP ASP L . n +A 1 167 GLN 167 166 166 GLN GLN L . n +A 1 168 ASP 168 167 167 ASP ASP L . n +A 1 169 SER 169 168 168 SER SER L . n +A 1 170 LYS 170 169 169 LYS LYS L . n +A 1 171 ASP 171 170 170 ASP ASP L . n +A 1 172 SER 172 171 171 SER SER L . n +A 1 173 THR 173 172 172 THR THR L . n +A 1 174 TYR 174 173 173 TYR TYR L . n +A 1 175 SER 175 174 174 SER SER L . n +A 1 176 MET 176 175 175 MET MET L . n +A 1 177 SER 177 176 176 SER SER L . n +A 1 178 SER 178 177 177 SER SER L . n +A 1 179 THR 179 178 178 THR THR L . n +A 1 180 LEU 180 179 179 LEU LEU L . n +A 1 181 THR 181 180 180 THR THR L . n +A 1 182 LEU 182 181 181 LEU LEU L . n +A 1 183 THR 183 182 182 THR THR L . n +A 1 184 LYS 184 183 183 LYS LYS L . n +A 1 185 ASP 185 184 184 ASP ASP L . n +A 1 186 GLU 186 185 185 GLU GLU L . n +A 1 187 TYR 187 186 186 TYR TYR L . n +A 1 188 GLU 188 187 187 GLU GLU L . n +A 1 189 ARG 189 188 188 ARG ARG L . n +A 1 190 HIS 190 189 189 HIS HIS L . n +A 1 191 ASN 191 190 190 ASN ASN L . n +A 1 192 SER 192 191 191 SER SER L . n +A 1 193 TYR 193 192 192 TYR TYR L . n +A 1 194 THR 194 193 193 THR THR L . n +A 1 195 CYS 195 194 194 CYS CYS L . n +A 1 196 GLU 196 195 195 GLU GLU L . n +A 1 197 ALA 197 196 196 ALA ALA L . n +A 1 198 THR 198 197 197 THR THR L . n +A 1 199 HIS 199 198 198 HIS HIS L . n +A 1 200 LYS 200 199 199 LYS LYS L . n +A 1 201 THR 201 200 200 THR THR L . n +A 1 202 SER 202 201 201 SER SER L . n +A 1 203 THR 203 202 202 THR THR L . n +A 1 204 SER 204 203 203 SER SER L . n +A 1 205 PRO 205 204 204 PRO PRO L . n +A 1 206 ILE 206 205 205 ILE ILE L . n +A 1 207 VAL 207 206 206 VAL VAL L . n +A 1 208 LYS 208 207 207 LYS LYS L . n +A 1 209 SER 209 208 208 SER SER L . n +A 1 210 PHE 210 209 209 PHE PHE L . n +A 1 211 ASN 211 210 210 ASN ASN L . n +A 1 212 ARG 212 211 211 ARG ARG L . n +B 2 1 GLU 1 1 1 GLU GLU H . n +B 2 2 VAL 2 2 2 VAL VAL H . n +B 2 3 GLN 3 3 3 GLN GLN H . n +B 2 4 LEU 4 4 4 LEU LEU H . n +B 2 5 GLN 5 5 5 GLN GLN H . n +B 2 6 GLN 6 6 6 GLN GLN H . n +B 2 7 SER 7 7 7 SER SER H . n +B 2 8 GLY 8 8 8 GLY GLY H . n +B 2 9 ALA 9 9 9 ALA ALA H . n +B 2 10 GLU 10 10 10 GLU GLU H . n +B 2 11 LEU 11 11 11 LEU LEU H . n +B 2 12 VAL 12 12 12 VAL VAL H . n +B 2 13 LYS 13 13 13 LYS LYS H . n +B 2 14 PRO 14 14 14 PRO PRO H . n +B 2 15 GLY 15 15 15 GLY GLY H . n +B 2 16 ALA 16 16 16 ALA ALA H . n +B 2 17 SER 17 17 17 SER SER H . n +B 2 18 VAL 18 18 18 VAL VAL H . n +B 2 19 LYS 19 19 19 LYS LYS H . n +B 2 20 LEU 20 20 20 LEU LEU H . n +B 2 21 SER 21 21 21 SER SER H . n +B 2 22 CYS 22 22 22 CYS CYS H . n +B 2 23 THR 23 23 23 THR THR H . n +B 2 24 ALA 24 24 24 ALA ALA H . n +B 2 25 SER 25 25 25 SER SER H . n +B 2 26 GLY 26 26 26 GLY GLY H . n +B 2 27 PHE 27 27 27 PHE PHE H . n +B 2 28 ASN 28 28 28 ASN ASN H . n +B 2 29 ILE 29 29 29 ILE ILE H . n +B 2 30 LYS 30 30 30 LYS LYS H . n +B 2 31 ASP 31 31 31 ASP ASP H . n +B 2 32 THR 32 32 32 THR THR H . n +B 2 33 TYR 33 33 33 TYR TYR H . n +B 2 34 MET 34 34 34 MET MET H . n +B 2 35 HIS 35 35 35 HIS HIS H . n +B 2 36 TRP 36 36 36 TRP TRP H . n +B 2 37 VAL 37 37 37 VAL VAL H . n +B 2 38 LYS 38 38 38 LYS LYS H . n +B 2 39 GLN 39 39 39 GLN GLN H . n +B 2 40 LYS 40 40 40 LYS LYS H . n +B 2 41 PRO 41 41 41 PRO PRO H . n +B 2 42 GLU 42 42 42 GLU GLU H . n +B 2 43 GLN 43 43 43 GLN GLN H . n +B 2 44 GLY 44 44 44 GLY GLY H . n +B 2 45 LEU 45 45 45 LEU LEU H . n +B 2 46 GLU 46 46 46 GLU GLU H . n +B 2 47 TRP 47 47 47 TRP TRP H . n +B 2 48 ILE 48 48 48 ILE ILE H . n +B 2 49 ALA 49 49 49 ALA ALA H . n +B 2 50 GLN 50 50 50 GLN GLN H . n +B 2 51 ILE 51 51 51 ILE ILE H . n +B 2 52 ASP 52 52 52 ASP ASP H . n +B 2 53 PRO 53 52 52 PRO PRO H A n +B 2 54 ALA 54 53 53 ALA ALA H . n +B 2 55 ASN 55 54 54 ASN ASN H . n +B 2 56 GLY 56 55 55 GLY GLY H . n +B 2 57 ASN 57 56 56 ASN ASN H . n +B 2 58 THR 58 57 57 THR THR H . n +B 2 59 LYS 59 58 58 LYS LYS H . n +B 2 60 TYR 60 59 59 TYR TYR H . n +B 2 61 ASP 61 60 60 ASP ASP H . n +B 2 62 PRO 62 61 61 PRO PRO H . n +B 2 63 LYS 63 62 62 LYS LYS H . n +B 2 64 PHE 64 63 63 PHE PHE H . n +B 2 65 GLN 65 64 64 GLN GLN H . n +B 2 66 GLY 66 65 65 GLY GLY H . n +B 2 67 LYS 67 66 66 LYS LYS H . n +B 2 68 ALA 68 67 67 ALA ALA H . n +B 2 69 THR 69 68 68 THR THR H . n +B 2 70 ILE 70 69 69 ILE ILE H . n +B 2 71 THR 71 70 70 THR THR H . n +B 2 72 ALA 72 71 71 ALA ALA H . n +B 2 73 ASP 73 72 72 ASP ASP H . n +B 2 74 THR 74 73 73 THR THR H . n +B 2 75 SER 75 74 74 SER SER H . n +B 2 76 SER 76 75 75 SER SER H . n +B 2 77 ASN 77 76 76 ASN ASN H . n +B 2 78 THR 78 77 77 THR THR H . n +B 2 79 ALA 79 78 78 ALA ALA H . n +B 2 80 TYR 80 79 79 TYR TYR H . n +B 2 81 LEU 81 80 80 LEU LEU H . n +B 2 82 HIS 82 81 81 HIS HIS H . n +B 2 83 LEU 83 82 82 LEU LEU H . n +B 2 84 SER 84 82 82 SER SER H A n +B 2 85 SER 85 82 82 SER SER H B n +B 2 86 LEU 86 82 82 LEU LEU H C n +B 2 87 THR 87 83 83 THR THR H . n +B 2 88 SER 88 84 84 SER SER H . n +B 2 89 GLU 89 85 85 GLU GLU H . n +B 2 90 ASP 90 86 86 ASP ASP H . n +B 2 91 SER 91 87 87 SER SER H . n +B 2 92 ALA 92 88 88 ALA ALA H . n +B 2 93 VAL 93 89 89 VAL VAL H . n +B 2 94 TYR 94 90 90 TYR TYR H . n +B 2 95 TYR 95 91 91 TYR TYR H . n +B 2 96 CYS 96 92 92 CYS CYS H . n +B 2 97 ALA 97 93 93 ALA ALA H . n +B 2 98 ALA 98 94 94 ALA ALA H . n +B 2 99 ASP 99 95 95 ASP ASP H . n +B 2 100 PRO 100 96 96 PRO PRO H . n +B 2 101 PRO 101 97 97 PRO PRO H . n +B 2 102 TYR 102 98 98 TYR TYR H . n +B 2 103 TYR 103 99 99 TYR TYR H . n +B 2 104 GLY 104 100 100 GLY GLY H . n +B 2 105 HIS 105 100 100 HIS HIS H A n +B 2 106 GLY 106 100 100 GLY GLY H B n +B 2 107 ASP 107 101 101 ASP ASP H . n +B 2 108 TYR 108 102 102 TYR TYR H . n +B 2 109 TRP 109 103 103 TRP TRP H . n +B 2 110 GLY 110 104 104 GLY GLY H . n +B 2 111 GLN 111 105 105 GLN GLN H . n +B 2 112 GLY 112 106 106 GLY GLY H . n +B 2 113 THR 113 107 107 THR THR H . n +B 2 114 THR 114 108 108 THR THR H . n +B 2 115 LEU 115 109 109 LEU LEU H . n +B 2 116 THR 116 110 110 THR THR H . n +B 2 117 VAL 117 111 111 VAL VAL H . n +B 2 118 SER 118 112 112 SER SER H . n +B 2 119 SER 119 113 113 SER SER H . n +B 2 120 ALA 120 114 114 ALA ALA H . n +B 2 121 LYS 121 115 115 LYS LYS H . n +B 2 122 THR 122 116 116 THR THR H . n +B 2 123 THR 123 117 117 THR THR H . n +B 2 124 PRO 124 118 118 PRO PRO H . n +B 2 125 PRO 125 119 119 PRO PRO H . n +B 2 126 SER 126 120 120 SER SER H . n +B 2 127 VAL 127 121 121 VAL VAL H . n +B 2 128 TYR 128 122 122 TYR TYR H . n +B 2 129 PRO 129 123 123 PRO PRO H . n +B 2 130 LEU 130 124 124 LEU LEU H . n +B 2 131 ALA 131 125 125 ALA ALA H . n +B 2 132 PRO 132 126 126 PRO PRO H . n +B 2 133 GLY 133 127 127 GLY GLY H . n +B 2 134 SER 134 128 128 SER SER H . n +B 2 135 ALA 135 129 129 ALA ALA H . n +B 2 136 ALA 136 130 130 ALA ALA H . n +B 2 137 GLN 137 133 133 GLN GLN H . n +B 2 138 THR 138 134 134 THR THR H . n +B 2 139 ASN 139 135 135 ASN ASN H . n +B 2 140 SER 140 136 136 SER SER H . n +B 2 141 MET 141 137 137 MET MET H . n +B 2 142 VAL 142 138 138 VAL VAL H . n +B 2 143 THR 143 139 139 THR THR H . n +B 2 144 LEU 144 140 140 LEU LEU H . n +B 2 145 GLY 145 141 141 GLY GLY H . n +B 2 146 CYS 146 142 142 CYS CYS H . n +B 2 147 LEU 147 143 143 LEU LEU H . n +B 2 148 VAL 148 144 144 VAL VAL H . n +B 2 149 LYS 149 145 145 LYS LYS H . n +B 2 150 GLY 150 146 146 GLY GLY H . n +B 2 151 TYR 151 147 147 TYR TYR H . n +B 2 152 PHE 152 148 148 PHE PHE H . n +B 2 153 PRO 153 149 149 PRO PRO H . n +B 2 154 GLU 154 150 150 GLU GLU H . n +B 2 155 PRO 155 151 151 PRO PRO H . n +B 2 156 VAL 156 152 152 VAL VAL H . n +B 2 157 THR 157 153 153 THR THR H . n +B 2 158 VAL 158 154 154 VAL VAL H . n +B 2 159 THR 159 156 156 THR THR H . n +B 2 160 TRP 160 157 157 TRP TRP H . n +B 2 161 ASN 161 162 162 ASN ASN H . n +B 2 162 SER 162 163 163 SER SER H . n +B 2 163 GLY 163 164 164 GLY GLY H . n +B 2 164 SER 164 165 165 SER SER H . n +B 2 165 LEU 165 166 166 LEU LEU H . n +B 2 166 SER 166 167 167 SER SER H . n +B 2 167 SER 167 168 168 SER SER H . n +B 2 168 GLY 168 169 169 GLY GLY H . n +B 2 169 VAL 169 171 171 VAL VAL H . n +B 2 170 HIS 170 172 172 HIS HIS H . n +B 2 171 THR 171 173 173 THR THR H . n +B 2 172 PHE 172 174 174 PHE PHE H . n +B 2 173 PRO 173 175 175 PRO PRO H . n +B 2 174 ALA 174 176 176 ALA ALA H . n +B 2 175 VAL 175 177 177 VAL VAL H . n +B 2 176 LEU 176 178 178 LEU LEU H . n +B 2 177 GLN 177 179 179 GLN GLN H . n +B 2 178 SER 178 180 180 SER SER H . n +B 2 179 ASP 179 183 183 ASP ASP H . n +B 2 180 LEU 180 184 184 LEU LEU H . n +B 2 181 TYR 181 185 185 TYR TYR H . n +B 2 182 THR 182 186 186 THR THR H . n +B 2 183 LEU 183 187 187 LEU LEU H . n +B 2 184 SER 184 188 188 SER SER H . n +B 2 185 SER 185 189 189 SER SER H . n +B 2 186 SER 186 190 190 SER SER H . n +B 2 187 VAL 187 191 191 VAL VAL H . n +B 2 188 THR 188 192 192 THR THR H . n +B 2 189 VAL 189 193 193 VAL VAL H . n +B 2 190 PRO 190 194 194 PRO PRO H . n +B 2 191 SER 191 195 195 SER SER H . n +B 2 192 SER 192 196 196 SER SER H . n +B 2 193 THR 193 198 198 THR THR H . n +B 2 194 TRP 194 199 199 TRP TRP H . n +B 2 195 PRO 195 200 200 PRO PRO H . n +B 2 196 SER 196 202 202 SER SER H . n +B 2 197 GLU 197 203 203 GLU GLU H . n +B 2 198 THR 198 204 204 THR THR H . n +B 2 199 VAL 199 205 205 VAL VAL H . n +B 2 200 THR 200 206 206 THR THR H . n +B 2 201 CYS 201 208 208 CYS CYS H . n +B 2 202 ASN 202 209 209 ASN ASN H . n +B 2 203 VAL 203 210 210 VAL VAL H . n +B 2 204 ALA 204 211 211 ALA ALA H . n +B 2 205 HIS 205 212 212 HIS HIS H . n +B 2 206 PRO 206 213 213 PRO PRO H . n +B 2 207 ALA 207 214 214 ALA ALA H . n +B 2 208 SER 208 215 215 SER SER H . n +B 2 209 SER 209 216 216 SER SER H . n +B 2 210 THR 210 217 217 THR THR H . n +B 2 211 LYS 211 218 218 LYS LYS H . n +B 2 212 VAL 212 219 219 VAL VAL H . n +B 2 213 ASP 213 220 220 ASP ASP H . n +B 2 214 LYS 214 221 221 LYS LYS H . n +B 2 215 LYS 215 222 222 LYS LYS H . n +B 2 216 ILE 216 223 223 ILE ILE H . n +B 2 217 VAL 217 226 226 VAL VAL H . n +# +loop_ +_software.name +_software.classification +_software.version +_software.citation_id +_software.pdbx_ordinal +DENZO 'data collection' . ? 1 +SCALEPACK 'data reduction' . ? 2 +AMORE 'model building' . ? 3 +X-PLOR refinement 3.851 ? 4 +# +loop_ +_pdbx_version.entry_id +_pdbx_version.revision_date +_pdbx_version.major_version +_pdbx_version.minor_version +_pdbx_version.revision_type +_pdbx_version.details +25C8 2008-03-03 3 2 'Version format compliance' 'compliance with PDB format V.3.15' +25C8 2011-07-13 4 0000 'Version format compliance' 'compliance with PDB Exchange Dictionary V4' +# +loop_ +_pdbx_unobs_or_zero_occ_residues.id +_pdbx_unobs_or_zero_occ_residues.polymer_flag +_pdbx_unobs_or_zero_occ_residues.occupancy_flag +_pdbx_unobs_or_zero_occ_residues.PDB_model_num +_pdbx_unobs_or_zero_occ_residues.auth_asym_id +_pdbx_unobs_or_zero_occ_residues.auth_comp_id +_pdbx_unobs_or_zero_occ_residues.auth_seq_id +_pdbx_unobs_or_zero_occ_residues.PDB_ins_code +1 Y 0 1 H SER 128 ? +2 Y 0 1 H ALA 129 ? +3 Y 0 1 H ALA 130 ? +4 Y 0 1 H GLN 133 ? +5 Y 0 1 H THR 134 ? +6 Y 0 1 H ASN 135 ? +7 Y 0 1 H SER 136 ? +# +_pdbx_struct_assembly.id 1 +_pdbx_struct_assembly.details author_and_software_defined_assembly +_pdbx_struct_assembly.method_details PISA +_pdbx_struct_assembly.oligomeric_details dimeric +_pdbx_struct_assembly.oligomeric_count 2 +# +_pdbx_struct_assembly_gen.assembly_id 1 +_pdbx_struct_assembly_gen.oper_expression 1 +_pdbx_struct_assembly_gen.asym_id_list A,C,E,B,D +# +loop_ +_pdbx_struct_assembly_prop.biol_id +_pdbx_struct_assembly_prop.type +_pdbx_struct_assembly_prop.value +_pdbx_struct_assembly_prop.details +1 'ABSA (A^2)' 4070 ? +1 'SSA (A^2)' 19220 ? +1 MORE -17 ? +# +_pdbx_struct_oper_list.id 1 +_pdbx_struct_oper_list.type 'identity operation' +_pdbx_struct_oper_list.name 1_555 +_pdbx_struct_oper_list.symmetry_operation x,y,z +_pdbx_struct_oper_list.matrix[1][1] 1.0000000000 +_pdbx_struct_oper_list.matrix[1][2] 0.0000000000 +_pdbx_struct_oper_list.matrix[1][3] 0.0000000000 +_pdbx_struct_oper_list.vector[1] 0.0000000000 +_pdbx_struct_oper_list.matrix[2][1] 0.0000000000 +_pdbx_struct_oper_list.matrix[2][2] 1.0000000000 +_pdbx_struct_oper_list.matrix[2][3] 0.0000000000 +_pdbx_struct_oper_list.vector[2] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][1] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][2] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][3] 1.0000000000 +_pdbx_struct_oper_list.vector[3] 0.0000000000 +# +loop_ +_pdbx_nonpoly_scheme.asym_id +_pdbx_nonpoly_scheme.entity_id +_pdbx_nonpoly_scheme.mon_id +_pdbx_nonpoly_scheme.ndb_seq_num +_pdbx_nonpoly_scheme.pdb_seq_num +_pdbx_nonpoly_scheme.auth_seq_num +_pdbx_nonpoly_scheme.pdb_mon_id +_pdbx_nonpoly_scheme.auth_mon_id +_pdbx_nonpoly_scheme.pdb_strand_id +_pdbx_nonpoly_scheme.pdb_ins_code +C 3 GEP 1 212 1 GEP GEP L . +D 4 HOH 1 227 3 HOH HOH H . +D 4 HOH 2 228 5 HOH HOH H . +D 4 HOH 3 229 6 HOH HOH H . +D 4 HOH 4 230 7 HOH HOH H . +D 4 HOH 5 231 8 HOH HOH H . +D 4 HOH 6 232 9 HOH HOH H . +D 4 HOH 7 233 12 HOH HOH H . +D 4 HOH 8 234 13 HOH HOH H . +D 4 HOH 9 235 14 HOH HOH H . +D 4 HOH 10 236 15 HOH HOH H . +D 4 HOH 11 237 17 HOH HOH H . +D 4 HOH 12 238 19 HOH HOH H . +D 4 HOH 13 239 22 HOH HOH H . +D 4 HOH 14 240 27 HOH HOH H . +D 4 HOH 15 241 29 HOH HOH H . +D 4 HOH 16 242 31 HOH HOH H . +D 4 HOH 17 243 34 HOH HOH H . +D 4 HOH 18 244 35 HOH HOH H . +D 4 HOH 19 245 41 HOH HOH H . +D 4 HOH 20 246 42 HOH HOH H . +D 4 HOH 21 247 44 HOH HOH H . +D 4 HOH 22 248 45 HOH HOH H . +D 4 HOH 23 249 48 HOH HOH H . +D 4 HOH 24 250 52 HOH HOH H . +D 4 HOH 25 251 53 HOH HOH H . +D 4 HOH 26 252 54 HOH HOH H . +D 4 HOH 27 253 56 HOH HOH H . +D 4 HOH 28 254 57 HOH HOH H . +D 4 HOH 29 255 59 HOH HOH H . +D 4 HOH 30 256 61 HOH HOH H . +D 4 HOH 31 257 66 HOH HOH H . +D 4 HOH 32 258 67 HOH HOH H . +D 4 HOH 33 259 68 HOH HOH H . +D 4 HOH 34 260 69 HOH HOH H . +D 4 HOH 35 261 70 HOH HOH H . +D 4 HOH 36 262 71 HOH HOH H . +D 4 HOH 37 263 72 HOH HOH H . +D 4 HOH 38 264 73 HOH HOH H . +D 4 HOH 39 265 77 HOH HOH H . +D 4 HOH 40 266 81 HOH HOH H . +D 4 HOH 41 267 82 HOH HOH H . +D 4 HOH 42 268 87 HOH HOH H . +D 4 HOH 43 269 88 HOH HOH H . +D 4 HOH 44 270 89 HOH HOH H . +D 4 HOH 45 271 90 HOH HOH H . +D 4 HOH 46 272 92 HOH HOH H . +D 4 HOH 47 273 93 HOH HOH H . +D 4 HOH 48 274 94 HOH HOH H . +D 4 HOH 49 275 95 HOH HOH H . +D 4 HOH 50 276 96 HOH HOH H . +D 4 HOH 51 277 97 HOH HOH H . +D 4 HOH 52 278 100 HOH HOH H . +D 4 HOH 53 279 101 HOH HOH H . +D 4 HOH 54 280 107 HOH HOH H . +D 4 HOH 55 281 110 HOH HOH H . +D 4 HOH 56 282 113 HOH HOH H . +D 4 HOH 57 283 118 HOH HOH H . +D 4 HOH 58 284 120 HOH HOH H . +D 4 HOH 59 285 121 HOH HOH H . +D 4 HOH 60 286 125 HOH HOH H . +D 4 HOH 61 287 126 HOH HOH H . +D 4 HOH 62 288 127 HOH HOH H . +D 4 HOH 63 289 128 HOH HOH H . +D 4 HOH 64 290 132 HOH HOH H . +D 4 HOH 65 291 139 HOH HOH H . +D 4 HOH 66 292 141 HOH HOH H . +D 4 HOH 67 293 142 HOH HOH H . +D 4 HOH 68 294 148 HOH HOH H . +D 4 HOH 69 295 149 HOH HOH H . +D 4 HOH 70 296 151 HOH HOH H . +D 4 HOH 71 297 154 HOH HOH H . +D 4 HOH 72 298 159 HOH HOH H . +D 4 HOH 73 299 160 HOH HOH H . +D 4 HOH 74 300 161 HOH HOH H . +D 4 HOH 75 301 162 HOH HOH H . +D 4 HOH 76 302 167 HOH HOH H . +D 4 HOH 77 303 168 HOH HOH H . +D 4 HOH 78 304 169 HOH HOH H . +D 4 HOH 79 305 175 HOH HOH H . +D 4 HOH 80 306 176 HOH HOH H . +D 4 HOH 81 307 177 HOH HOH H . +D 4 HOH 82 308 179 HOH HOH H . +D 4 HOH 83 309 181 HOH HOH H . +D 4 HOH 84 310 182 HOH HOH H . +D 4 HOH 85 311 184 HOH HOH H . +D 4 HOH 86 312 185 HOH HOH H . +D 4 HOH 87 313 186 HOH HOH H . +D 4 HOH 88 314 190 HOH HOH H . +D 4 HOH 89 315 192 HOH HOH H . +D 4 HOH 90 316 196 HOH HOH H . +D 4 HOH 91 317 197 HOH HOH H . +D 4 HOH 92 318 200 HOH HOH H . +D 4 HOH 93 319 201 HOH HOH H . +D 4 HOH 94 320 203 HOH HOH H . +D 4 HOH 95 321 204 HOH HOH H . +D 4 HOH 96 322 205 HOH HOH H . +D 4 HOH 97 323 208 HOH HOH H . +D 4 HOH 98 324 209 HOH HOH H . +D 4 HOH 99 325 210 HOH HOH H . +D 4 HOH 100 326 212 HOH HOH H . +D 4 HOH 101 327 213 HOH HOH H . +D 4 HOH 102 328 216 HOH HOH H . +D 4 HOH 103 329 217 HOH HOH H . +D 4 HOH 104 330 218 HOH HOH H . +D 4 HOH 105 331 219 HOH HOH H . +D 4 HOH 106 332 221 HOH HOH H . +D 4 HOH 107 333 223 HOH HOH H . +D 4 HOH 108 334 225 HOH HOH H . +D 4 HOH 109 335 227 HOH HOH H . +D 4 HOH 110 336 231 HOH HOH H . +D 4 HOH 111 337 232 HOH HOH H . +E 4 HOH 1 213 1 HOH HOH L . +E 4 HOH 2 214 2 HOH HOH L . +E 4 HOH 3 215 4 HOH HOH L . +E 4 HOH 4 216 10 HOH HOH L . +E 4 HOH 5 217 11 HOH HOH L . +E 4 HOH 6 218 16 HOH HOH L . +E 4 HOH 7 219 18 HOH HOH L . +E 4 HOH 8 220 20 HOH HOH L . +E 4 HOH 9 221 21 HOH HOH L . +E 4 HOH 10 222 23 HOH HOH L . +E 4 HOH 11 223 24 HOH HOH L . +E 4 HOH 12 224 25 HOH HOH L . +E 4 HOH 13 225 26 HOH HOH L . +E 4 HOH 14 226 28 HOH HOH L . +E 4 HOH 15 227 30 HOH HOH L . +E 4 HOH 16 228 32 HOH HOH L . +E 4 HOH 17 229 33 HOH HOH L . +E 4 HOH 18 230 36 HOH HOH L . +E 4 HOH 19 231 37 HOH HOH L . +E 4 HOH 20 232 38 HOH HOH L . +E 4 HOH 21 233 39 HOH HOH L . +E 4 HOH 22 234 40 HOH HOH L . +E 4 HOH 23 235 43 HOH HOH L . +E 4 HOH 24 236 46 HOH HOH L . +E 4 HOH 25 237 47 HOH HOH L . +E 4 HOH 26 238 49 HOH HOH L . +E 4 HOH 27 239 50 HOH HOH L . +E 4 HOH 28 240 51 HOH HOH L . +E 4 HOH 29 241 55 HOH HOH L . +E 4 HOH 30 242 58 HOH HOH L . +E 4 HOH 31 243 60 HOH HOH L . +E 4 HOH 32 244 62 HOH HOH L . +E 4 HOH 33 245 63 HOH HOH L . +E 4 HOH 34 246 64 HOH HOH L . +E 4 HOH 35 247 65 HOH HOH L . +E 4 HOH 36 248 74 HOH HOH L . +E 4 HOH 37 249 75 HOH HOH L . +E 4 HOH 38 250 76 HOH HOH L . +E 4 HOH 39 251 78 HOH HOH L . +E 4 HOH 40 252 79 HOH HOH L . +E 4 HOH 41 253 80 HOH HOH L . +E 4 HOH 42 254 83 HOH HOH L . +E 4 HOH 43 255 84 HOH HOH L . +E 4 HOH 44 256 85 HOH HOH L . +E 4 HOH 45 257 86 HOH HOH L . +E 4 HOH 46 258 91 HOH HOH L . +E 4 HOH 47 259 98 HOH HOH L . +E 4 HOH 48 260 99 HOH HOH L . +E 4 HOH 49 261 102 HOH HOH L . +E 4 HOH 50 262 103 HOH HOH L . +E 4 HOH 51 263 104 HOH HOH L . +E 4 HOH 52 264 105 HOH HOH L . +E 4 HOH 53 265 106 HOH HOH L . +E 4 HOH 54 266 108 HOH HOH L . +E 4 HOH 55 267 109 HOH HOH L . +E 4 HOH 56 268 111 HOH HOH L . +E 4 HOH 57 269 112 HOH HOH L . +E 4 HOH 58 270 114 HOH HOH L . +E 4 HOH 59 271 115 HOH HOH L . +E 4 HOH 60 272 116 HOH HOH L . +E 4 HOH 61 273 117 HOH HOH L . +E 4 HOH 62 274 119 HOH HOH L . +E 4 HOH 63 275 122 HOH HOH L . +E 4 HOH 64 276 123 HOH HOH L . +E 4 HOH 65 277 124 HOH HOH L . +E 4 HOH 66 278 129 HOH HOH L . +E 4 HOH 67 279 130 HOH HOH L . +E 4 HOH 68 280 131 HOH HOH L . +E 4 HOH 69 281 133 HOH HOH L . +E 4 HOH 70 282 134 HOH HOH L . +E 4 HOH 71 283 135 HOH HOH L . +E 4 HOH 72 284 136 HOH HOH L . +E 4 HOH 73 285 137 HOH HOH L . +E 4 HOH 74 286 138 HOH HOH L . +E 4 HOH 75 287 140 HOH HOH L . +E 4 HOH 76 288 143 HOH HOH L . +E 4 HOH 77 289 144 HOH HOH L . +E 4 HOH 78 290 145 HOH HOH L . +E 4 HOH 79 291 146 HOH HOH L . +E 4 HOH 80 292 147 HOH HOH L . +E 4 HOH 81 293 150 HOH HOH L . +E 4 HOH 82 294 152 HOH HOH L . +E 4 HOH 83 295 153 HOH HOH L . +E 4 HOH 84 296 155 HOH HOH L . +E 4 HOH 85 297 156 HOH HOH L . +E 4 HOH 86 298 157 HOH HOH L . +E 4 HOH 87 299 158 HOH HOH L . +E 4 HOH 88 300 163 HOH HOH L . +E 4 HOH 89 301 164 HOH HOH L . +E 4 HOH 90 302 165 HOH HOH L . +E 4 HOH 91 303 166 HOH HOH L . +E 4 HOH 92 304 170 HOH HOH L . +E 4 HOH 93 305 171 HOH HOH L . +E 4 HOH 94 306 172 HOH HOH L . +E 4 HOH 95 307 173 HOH HOH L . +E 4 HOH 96 308 174 HOH HOH L . +E 4 HOH 97 309 178 HOH HOH L . +E 4 HOH 98 310 180 HOH HOH L . +E 4 HOH 99 311 183 HOH HOH L . +E 4 HOH 100 312 187 HOH HOH L . +E 4 HOH 101 313 188 HOH HOH L . +E 4 HOH 102 314 189 HOH HOH L . +E 4 HOH 103 315 191 HOH HOH L . +E 4 HOH 104 316 193 HOH HOH L . +E 4 HOH 105 317 194 HOH HOH L . +E 4 HOH 106 318 195 HOH HOH L . +E 4 HOH 107 319 198 HOH HOH L . +E 4 HOH 108 320 199 HOH HOH L . +E 4 HOH 109 321 202 HOH HOH L . +E 4 HOH 110 322 206 HOH HOH L . +E 4 HOH 111 323 207 HOH HOH L . +E 4 HOH 112 324 211 HOH HOH L . +E 4 HOH 113 325 214 HOH HOH L . +E 4 HOH 114 326 215 HOH HOH L . +E 4 HOH 115 327 220 HOH HOH L . +E 4 HOH 116 328 222 HOH HOH L . +E 4 HOH 117 329 224 HOH HOH L . +E 4 HOH 118 330 226 HOH HOH L . +E 4 HOH 119 331 228 HOH HOH L . +E 4 HOH 120 332 229 HOH HOH L . +E 4 HOH 121 333 230 HOH HOH L . +# +loop_ +_pdbx_validate_torsion.id +_pdbx_validate_torsion.PDB_model_num +_pdbx_validate_torsion.auth_comp_id +_pdbx_validate_torsion.auth_asym_id +_pdbx_validate_torsion.auth_seq_id +_pdbx_validate_torsion.PDB_ins_code +_pdbx_validate_torsion.phi +_pdbx_validate_torsion.psi +1 1 THR L 51 ? 73.57 -52.77 +2 1 ALA L 84 ? -177.40 -168.14 +3 1 ASP L 110 ? -49.71 153.74 +4 1 SER L 116 ? -160.21 115.88 +5 1 ASN L 138 ? 41.40 80.82 +6 1 PRO L 141 ? -68.92 -167.69 +7 1 GLU L 154 ? -37.54 128.92 +8 1 LYS L 169 ? -90.87 -61.32 +9 1 GLU L 185 ? -35.83 -38.62 +10 1 THR H 32 ? -143.68 -159.06 +11 1 GLN H 43 ? -122.25 -160.32 +12 1 ILE H 48 ? -100.67 -60.55 +13 1 PHE H 63 ? -100.18 45.97 +14 1 GLN H 64 ? -52.57 100.82 +15 1 ALA H 88 ? 173.17 -176.89 +16 1 SER H 128 ? 32.28 -90.03 +17 1 THR H 134 ? -163.04 -40.24 +18 1 ASN H 135 ? 64.93 137.83 +19 1 SER H 136 ? 70.21 -35.85 +20 1 SER H 163 ? 39.53 61.21 +21 1 ASP H 183 ? 73.80 -10.74 +22 1 SER H 195 ? -62.86 11.35 +23 1 PRO H 200 ? -84.85 32.18 +# +loop_ +_pdbx_entity_nonpoly.entity_id +_pdbx_entity_nonpoly.name +_pdbx_entity_nonpoly.comp_id +3 'N-METHYL-N-(PARA-GLUTARAMIDOPHENYL-ETHYL)-PIPERIDINIUM ION' GEP +4 water HOH +# diff --git a/Biopool/Tests/data/25C8.pdb b/Biopool/Tests/data/25C8.pdb new file mode 100644 index 0000000..bf7865c --- /dev/null +++ b/Biopool/Tests/data/25C8.pdb @@ -0,0 +1,3995 @@ +HEADER CATALYTIC ANTIBODY 18-MAR-98 25C8 +TITLE CATALYTIC ANTIBODY 5C8, FAB-HAPTEN COMPLEX +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: IGG 5C8; +COMPND 3 CHAIN: L; +COMPND 4 FRAGMENT: FAB; +COMPND 5 MOL_ID: 2; +COMPND 6 MOLECULE: IGG 5C8; +COMPND 7 CHAIN: H; +COMPND 8 FRAGMENT: FAB +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; +SOURCE 3 ORGANISM_COMMON: HOUSE MOUSE; +SOURCE 4 ORGANISM_TAXID: 10090; +SOURCE 5 MOL_ID: 2; +SOURCE 6 ORGANISM_SCIENTIFIC: MUS MUSCULUS; +SOURCE 7 ORGANISM_COMMON: HOUSE MOUSE; +SOURCE 8 ORGANISM_TAXID: 10090 +KEYWDS CATALYTIC ANTIBODY, FAB, RING CLOSURE REACTION +EXPDTA X-RAY DIFFRACTION +AUTHOR K.GRUBER,I.A.WILSON +REVDAT 3 24-FEB-09 25C8 1 VERSN +REVDAT 2 09-JUL-99 25C8 1 JRNL +REVDAT 1 23-MAR-99 25C8 0 +JRNL AUTH K.GRUBER,B.ZHOU,K.N.HOUK,R.A.LERNER,C.G.SHEVLIN, +JRNL AUTH 2 I.A.WILSON +JRNL TITL STRUCTURAL BASIS FOR ANTIBODY CATALYSIS OF A +JRNL TITL 2 DISFAVORED RING CLOSURE REACTION. +JRNL REF BIOCHEMISTRY V. 38 7062 1999 +JRNL REFN ISSN 0006-2960 +JRNL PMID 10353817 +JRNL DOI 10.1021/BI990210S +REMARK 1 +REMARK 1 REFERENCE 1 +REMARK 1 AUTH K.GRUBER,A.HEINE,E.A.STURA,C.G.SHEVLIN,I.A.WILSON +REMARK 1 TITL LIGAND-INDUCED CONFORMATIONAL CHANGES IN A +REMARK 1 TITL 2 CATALYTIC ANTIBODY: COMPARISON OF THE BOUND AND +REMARK 1 TITL 3 UNBOUND STRUCTURE OF FAB 5C8 +REMARK 1 REF TO BE PUBLISHED +REMARK 1 REFN +REMARK 2 +REMARK 2 RESOLUTION. 2.00 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : X-PLOR 3.851 +REMARK 3 AUTHORS : BRUNGER +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.00 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 25.00 +REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 +REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL +REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL +REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 96.7 +REMARK 3 NUMBER OF REFLECTIONS : 33080 +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT. +REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT +REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM +REMARK 3 R VALUE (WORKING SET) : 0.229 +REMARK 3 FREE R VALUE : 0.292 +REMARK 3 FREE R VALUE TEST SET SIZE (%) : 7.600 +REMARK 3 FREE R VALUE TEST SET COUNT : 2505 +REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.006 +REMARK 3 +REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. +REMARK 3 TOTAL NUMBER OF BINS USED : 20 +REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.00 +REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.03 +REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 93.40 +REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 1473 +REMARK 3 BIN R VALUE (WORKING SET) : 0.3500 +REMARK 3 BIN FREE R VALUE : 0.3710 +REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 7.90 +REMARK 3 BIN FREE R VALUE TEST SET COUNT : 117 +REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.037 +REMARK 3 +REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. +REMARK 3 PROTEIN ATOMS : 3251 +REMARK 3 NUCLEIC ACID ATOMS : 0 +REMARK 3 HETEROGEN ATOMS : 24 +REMARK 3 SOLVENT ATOMS : 232 +REMARK 3 +REMARK 3 B VALUES. +REMARK 3 FROM WILSON PLOT (A**2) : 29.20 +REMARK 3 MEAN B VALUE (OVERALL, A**2) : 39.60 +REMARK 3 OVERALL ANISOTROPIC B VALUE. +REMARK 3 B11 (A**2) : 3.72000 +REMARK 3 B22 (A**2) : 7.70000 +REMARK 3 B33 (A**2) : 10.93000 +REMARK 3 B12 (A**2) : 0.00000 +REMARK 3 B13 (A**2) : 5.84000 +REMARK 3 B23 (A**2) : 0.00000 +REMARK 3 +REMARK 3 ESTIMATED COORDINATE ERROR. +REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.29 +REMARK 3 ESD FROM SIGMAA (A) : 0.33 +REMARK 3 LOW RESOLUTION CUTOFF (A) : 5.00 +REMARK 3 +REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. +REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.36 +REMARK 3 ESD FROM C-V SIGMAA (A) : 0.32 +REMARK 3 +REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. +REMARK 3 BOND LENGTHS (A) : 0.007 +REMARK 3 BOND ANGLES (DEGREES) : 1.40 +REMARK 3 DIHEDRAL ANGLES (DEGREES) : 30.00 +REMARK 3 IMPROPER ANGLES (DEGREES) : 0.70 +REMARK 3 +REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED +REMARK 3 +REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA +REMARK 3 MAIN-CHAIN BOND (A**2) : 2.530 ; 1.500 +REMARK 3 MAIN-CHAIN ANGLE (A**2) : 4.050 ; 2.000 +REMARK 3 SIDE-CHAIN BOND (A**2) : 3.290 ; 2.000 +REMARK 3 SIDE-CHAIN ANGLE (A**2) : 4.690 ; 2.500 +REMARK 3 +REMARK 3 NCS MODEL : NULL +REMARK 3 +REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT +REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL +REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL +REMARK 3 +REMARK 3 PARAMETER FILE 1 : PARHCSDX.PRO +REMARK 3 PARAMETER FILE 2 : NME.PAR +REMARK 3 PARAMETER FILE 3 : NULL +REMARK 3 PARAMETER FILE 4 : NULL +REMARK 3 TOPOLOGY FILE 1 : TOPHCSDX.PRO +REMARK 3 TOPOLOGY FILE 2 : TOPH19.SOL +REMARK 3 TOPOLOGY FILE 3 : NME.TOP +REMARK 3 TOPOLOGY FILE 4 : NULL +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: BULK SOLVENT MODEL USED +REMARK 4 +REMARK 4 25C8 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : DEC-96 +REMARK 200 TEMPERATURE (KELVIN) : 97 +REMARK 200 PH : 5.5 +REMARK 200 NUMBER OF CRYSTALS USED : 1 +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : Y +REMARK 200 RADIATION SOURCE : SSRL +REMARK 200 BEAMLINE : BL7-1 +REMARK 200 X-RAY GENERATOR MODEL : NULL +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M +REMARK 200 WAVELENGTH OR RANGE (A) : 1.08 +REMARK 200 MONOCHROMATOR : SI(111) +REMARK 200 OPTICS : PT COATED FUSED SILICA MIRROR +REMARK 200 +REMARK 200 DETECTOR TYPE : IMAGE PLATE +REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO +REMARK 200 DATA SCALING SOFTWARE : SCALEPACK +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 33080 +REMARK 200 RESOLUTION RANGE HIGH (A) : 2.000 +REMARK 200 RESOLUTION RANGE LOW (A) : 25.000 +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -3.000 +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : 96.7 +REMARK 200 DATA REDUNDANCY : 7.000 +REMARK 200 R MERGE (I) : NULL +REMARK 200 R SYM (I) : 0.05700 +REMARK 200 FOR THE DATA SET : 16.9000 +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.00 +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.03 +REMARK 200 COMPLETENESS FOR SHELL (%) : 93.4 +REMARK 200 DATA REDUNDANCY IN SHELL : NULL +REMARK 200 R MERGE FOR SHELL (I) : NULL +REMARK 200 R SYM FOR SHELL (I) : 0.30400 +REMARK 200 FOR SHELL : 2.900 +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: NULL +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT +REMARK 200 SOFTWARE USED: AMORE +REMARK 200 STARTING MODEL: FREE FAB 5C8 +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 54.00 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.70 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: PH 5.5 +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 1 2 1 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -X,Y,-Z +REMARK 290 3555 X+1/2,Y+1/2,Z +REMARK 290 4555 -X+1/2,Y+1/2,-Z +REMARK 290 +REMARK 290 WHERE NNN -> OPERATOR NUMBER +REMARK 290 MMM -> TRANSLATION VECTOR +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS +REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM +REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY +REMARK 290 RELATED MOLECULES. +REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 SMTRY1 3 1.000000 0.000000 0.000000 56.00000 +REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 40.00000 +REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 56.00000 +REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 40.00000 +REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1 +REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM +REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN +REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON +REMARK 300 BURIED SURFACE AREA. +REMARK 350 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC +REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC +REMARK 350 SOFTWARE USED: PISA +REMARK 350 TOTAL BURIED SURFACE AREA: 4070 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 19220 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -17.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: L, H +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 375 +REMARK 375 SPECIAL POSITION +REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS +REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL +REMARK 375 POSITIONS. +REMARK 375 +REMARK 375 ATOM RES CSSEQI +REMARK 375 HOH L 213 LIES ON A SPECIAL POSITION. +REMARK 475 +REMARK 475 ZERO OCCUPANCY RESIDUES +REMARK 475 THE FOLLOWING RESIDUES WERE MODELED WITH ZERO OCCUPANCY. +REMARK 475 THE LOCATION AND PROPERTIES OF THESE RESIDUES MAY NOT +REMARK 475 BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME; +REMARK 475 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE) +REMARK 475 M RES C SSEQI +REMARK 475 SER H 128 +REMARK 475 ALA H 129 +REMARK 475 ALA H 130 +REMARK 475 GLN H 133 +REMARK 475 THR H 134 +REMARK 475 ASN H 135 +REMARK 475 SER H 136 +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: TORSION ANGLES +REMARK 500 +REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) +REMARK 500 +REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- +REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 +REMARK 500 +REMARK 500 M RES CSSEQI PSI PHI +REMARK 500 THR L 51 -52.77 73.57 +REMARK 500 ALA L 84 -168.14 -177.40 +REMARK 500 ASP L 110 153.74 -49.71 +REMARK 500 SER L 116 115.88 -160.21 +REMARK 500 ASN L 138 80.82 41.40 +REMARK 500 PRO L 141 -167.69 -68.92 +REMARK 500 GLU L 154 128.92 -37.54 +REMARK 500 LYS L 169 -61.32 -90.87 +REMARK 500 GLU L 185 -38.62 -35.83 +REMARK 500 THR H 32 -159.06 -143.68 +REMARK 500 GLN H 43 -160.32 -122.25 +REMARK 500 ILE H 48 -60.55 -100.67 +REMARK 500 PHE H 63 45.97 -100.18 +REMARK 500 GLN H 64 100.82 -52.57 +REMARK 500 ALA H 88 -176.89 173.17 +REMARK 500 SER H 128 -90.03 32.28 +REMARK 500 THR H 134 -40.24 -163.04 +REMARK 500 ASN H 135 137.83 64.93 +REMARK 500 SER H 136 -35.85 70.21 +REMARK 500 SER H 163 61.21 39.53 +REMARK 500 ASP H 183 -10.74 73.80 +REMARK 500 SER H 195 11.35 -62.86 +REMARK 500 PRO H 200 32.18 -84.85 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 525 +REMARK 525 SOLVENT +REMARK 525 +REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT +REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST +REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT +REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE +REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; +REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE +REMARK 525 NUMBER; I=INSERTION CODE): +REMARK 525 +REMARK 525 M RES CSSEQI +REMARK 525 HOH L 213 DISTANCE = 5.82 ANGSTROMS +REMARK 800 +REMARK 800 SITE +REMARK 800 SITE_IDENTIFIER: AC1 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GEP L 212 +DBREF 25C8 L 2 211 UNP P01837 KAC_MOUSE 24 234 +DBREF 25C8 H 2 226 UNP P01869 IGH1M_MOUSE 2 217 +SEQADV 25C8 ASN L 32 UNP P01837 TYR 55 CONFLICT +SEQADV 25C8 SER L 94 UNP P01837 PHE 117 CONFLICT +SEQADV 25C8 TYR L 96 UNP P01837 HIS 119 CONFLICT +SEQADV 25C8 GLN H 3 UNP P01869 LYS 3 CONFLICT +SEQADV 25C8 GLN H 5 UNP P01869 LEU 5 CONFLICT +SEQADV 25C8 GLN H 6 UNP P01869 GLU 6 CONFLICT +SEQADV 25C8 PRO H 14 UNP P01869 SER 14 CONFLICT +SEQADV 25C8 LYS H 40 UNP P01869 ARG 40 CONFLICT +SEQADV 25C8 ALA H 49 UNP P01869 GLY 49 CONFLICT +SEQADV 25C8 GLN H 50 UNP P01869 ARG 50 CONFLICT +SEQADV 25C8 ASN H 56 UNP P01869 GLU 57 CONFLICT +SEQADV 25C8 THR H 57 UNP P01869 ILE 58 CONFLICT +SEQADV 25C8 LYS H 66 UNP P01869 THR 67 CONFLICT +SEQADV 25C8 SER H 75 UNP P01869 THR 76 CONFLICT +SEQADV 25C8 HIS H 81 UNP P01869 GLN 82 CONFLICT +SEQADV 25C8 SER H 87 UNP P01869 THR 91 CONFLICT +SEQADV 25C8 ALA H 93 UNP P01869 VAL 97 CONFLICT +SEQADV 25C8 ALA H 94 UNP P01869 ARG 98 CONFLICT +SEQADV 25C8 ASP H 95 UNP P01869 ARG 99 CONFLICT +SEQADV 25C8 PRO H 96 UNP P01869 GLY 100 CONFLICT +SEQADV 25C8 PRO H 97 UNP P01869 TYR 101 CONFLICT +SEQADV 25C8 TYR H 98 UNP P01869 GLY 102 CONFLICT +SEQADV 25C8 TYR H 99 UNP P01869 SER 103 CONFLICT +SEQADV 25C8 GLY H 100 UNP P01869 SER 104 CONFLICT +SEQADV 25C8 HIS H 100A UNP P01869 GLN 105 CONFLICT +SEQADV 25C8 GLY H 100B UNP P01869 GLU 106 CONFLICT +SEQADV 25C8 ASP H 101 UNP P01869 PRO 107 CONFLICT +SEQRES 1 L 212 ASP ILE VAL LEU THR GLN SER PRO ALA ILE MET SER ALA +SEQRES 2 L 212 SER LEU GLY GLU ARG VAL THR MET THR CYS THR ALA SER +SEQRES 3 L 212 SER SER VAL SER SER SER ASN LEU HIS TRP TYR GLN GLN +SEQRES 4 L 212 LYS PRO GLY SER SER PRO LYS LEU TRP ILE TYR SER THR +SEQRES 5 L 212 SER ASN LEU ALA SER GLY VAL PRO ALA ARG PHE SER GLY +SEQRES 6 L 212 SER GLY SER GLY THR SER TYR SER LEU THR ILE SER SER +SEQRES 7 L 212 MET GLU ALA GLU ASP ALA ALA THR TYR TYR CYS HIS GLN +SEQRES 8 L 212 TYR HIS ARG SER PRO TYR THR PHE GLY GLY GLY THR LYS +SEQRES 9 L 212 LEU GLU ILE LYS ARG ALA ASP ALA ALA PRO THR VAL SER +SEQRES 10 L 212 ILE PHE PRO PRO SER SER GLU GLN LEU THR SER GLY GLY +SEQRES 11 L 212 ALA SER VAL VAL CYS PHE LEU ASN ASN PHE TYR PRO LYS +SEQRES 12 L 212 ASP ILE ASN VAL LYS TRP LYS ILE ASP GLY SER GLU ARG +SEQRES 13 L 212 GLN ASN GLY VAL LEU ASN SER TRP THR ASP GLN ASP SER +SEQRES 14 L 212 LYS ASP SER THR TYR SER MET SER SER THR LEU THR LEU +SEQRES 15 L 212 THR LYS ASP GLU TYR GLU ARG HIS ASN SER TYR THR CYS +SEQRES 16 L 212 GLU ALA THR HIS LYS THR SER THR SER PRO ILE VAL LYS +SEQRES 17 L 212 SER PHE ASN ARG +SEQRES 1 H 217 GLU VAL GLN LEU GLN GLN SER GLY ALA GLU LEU VAL LYS +SEQRES 2 H 217 PRO GLY ALA SER VAL LYS LEU SER CYS THR ALA SER GLY +SEQRES 3 H 217 PHE ASN ILE LYS ASP THR TYR MET HIS TRP VAL LYS GLN +SEQRES 4 H 217 LYS PRO GLU GLN GLY LEU GLU TRP ILE ALA GLN ILE ASP +SEQRES 5 H 217 PRO ALA ASN GLY ASN THR LYS TYR ASP PRO LYS PHE GLN +SEQRES 6 H 217 GLY LYS ALA THR ILE THR ALA ASP THR SER SER ASN THR +SEQRES 7 H 217 ALA TYR LEU HIS LEU SER SER LEU THR SER GLU ASP SER +SEQRES 8 H 217 ALA VAL TYR TYR CYS ALA ALA ASP PRO PRO TYR TYR GLY +SEQRES 9 H 217 HIS GLY ASP TYR TRP GLY GLN GLY THR THR LEU THR VAL +SEQRES 10 H 217 SER SER ALA LYS THR THR PRO PRO SER VAL TYR PRO LEU +SEQRES 11 H 217 ALA PRO GLY SER ALA ALA GLN THR ASN SER MET VAL THR +SEQRES 12 H 217 LEU GLY CYS LEU VAL LYS GLY TYR PHE PRO GLU PRO VAL +SEQRES 13 H 217 THR VAL THR TRP ASN SER GLY SER LEU SER SER GLY VAL +SEQRES 14 H 217 HIS THR PHE PRO ALA VAL LEU GLN SER ASP LEU TYR THR +SEQRES 15 H 217 LEU SER SER SER VAL THR VAL PRO SER SER THR TRP PRO +SEQRES 16 H 217 SER GLU THR VAL THR CYS ASN VAL ALA HIS PRO ALA SER +SEQRES 17 H 217 SER THR LYS VAL ASP LYS LYS ILE VAL +HET GEP L 212 24 +HETNAM GEP N-METHYL-N-(PARA-GLUTARAMIDOPHENYL-ETHYL)- +HETNAM 2 GEP PIPERIDINIUM ION +FORMUL 3 GEP C19 H29 N2 O3 1+ +FORMUL 4 HOH *232(H2 O) +HELIX 1 1 SER L 122 SER L 127 1 6 +HELIX 2 2 ASP L 184 GLU L 187 1 4 +SHEET 1 A 4 LEU L 4 SER L 7 0 +SHEET 2 A 4 VAL L 19 ALA L 25 -1 N THR L 24 O THR L 5 +SHEET 3 A 4 SER L 70 ILE L 75 -1 N ILE L 75 O VAL L 19 +SHEET 4 A 4 PHE L 62 SER L 67 -1 N SER L 67 O SER L 70 +SHEET 1 B 5 ILE L 10 ALA L 13 0 +SHEET 2 B 5 THR L 102 ILE L 106 1 N LYS L 103 O MET L 11 +SHEET 3 B 5 ALA L 84 GLN L 90 -1 N TYR L 86 O THR L 102 +SHEET 4 B 5 LEU L 33 GLN L 38 -1 N GLN L 38 O THR L 85 +SHEET 5 B 5 LYS L 45 ILE L 48 -1 N ILE L 48 O TRP L 35 +SHEET 1 C 4 THR L 114 PHE L 118 0 +SHEET 2 C 4 GLY L 129 ASN L 137 -1 N ASN L 137 O THR L 114 +SHEET 3 C 4 MET L 175 THR L 182 -1 N LEU L 181 O ALA L 130 +SHEET 4 C 4 VAL L 159 TRP L 163 -1 N SER L 162 O SER L 176 +SHEET 1 D 4 SER L 153 ARG L 155 0 +SHEET 2 D 4 ILE L 144 ILE L 150 -1 N ILE L 150 O SER L 153 +SHEET 3 D 4 SER L 191 HIS L 198 -1 N THR L 197 O ASN L 145 +SHEET 4 D 4 ILE L 205 ASN L 210 -1 N PHE L 209 O TYR L 192 +SHEET 1 E 4 GLN H 3 GLN H 6 0 +SHEET 2 E 4 VAL H 18 SER H 25 -1 N SER H 25 O GLN H 3 +SHEET 3 E 4 THR H 77 LEU H 82 -1 N LEU H 82 O VAL H 18 +SHEET 4 E 4 ALA H 67 ASP H 72 -1 N ASP H 72 O THR H 77 +SHEET 1 F 6 GLU H 10 VAL H 12 0 +SHEET 2 F 6 THR H 107 VAL H 111 1 N THR H 110 O GLU H 10 +SHEET 3 F 6 ALA H 88 ALA H 94 -1 N TYR H 90 O THR H 107 +SHEET 4 F 6 MET H 34 GLN H 39 -1 N GLN H 39 O VAL H 89 +SHEET 5 F 6 LEU H 45 ASP H 52 -1 N ILE H 51 O MET H 34 +SHEET 6 F 6 ASN H 56 TYR H 59 -1 N LYS H 58 O GLN H 50 +SHEET 1 G 4 SER H 120 LEU H 124 0 +SHEET 2 G 4 MET H 137 TYR H 147 -1 N LYS H 145 O SER H 120 +SHEET 3 G 4 TYR H 185 PRO H 194 -1 N VAL H 193 O VAL H 138 +SHEET 4 G 4 VAL H 171 THR H 173 -1 N HIS H 172 O SER H 190 +SHEET 1 H 3 VAL H 152 TRP H 157 0 +SHEET 2 H 3 VAL H 205 HIS H 212 -1 N ALA H 211 O THR H 153 +SHEET 3 H 3 THR H 217 ILE H 223 -1 N ILE H 223 O VAL H 205 +SSBOND 1 CYS L 23 CYS L 88 1555 1555 2.04 +SSBOND 2 CYS L 134 CYS L 194 1555 1555 2.04 +SSBOND 3 CYS H 22 CYS H 92 1555 1555 2.03 +SSBOND 4 CYS H 142 CYS H 208 1555 1555 2.03 +CISPEP 1 SER L 7 PRO L 8 0 -0.23 +CISPEP 2 SER L 94 PRO L 95 0 0.11 +CISPEP 3 TYR L 140 PRO L 141 0 -0.03 +CISPEP 4 PHE H 148 PRO H 149 0 -0.26 +CISPEP 5 GLU H 150 PRO H 151 0 -0.34 +CISPEP 6 TRP H 199 PRO H 200 0 0.28 +SITE 1 AC1 12 HIS H 35 ALA H 93 ASP H 95 PRO H 96 +SITE 2 AC1 12 GLY H 100 HIS H 100A GLY H 100B ASP H 101 +SITE 3 AC1 12 TYR L 36 LEU L 46 TYR L 49 TYR L 91 +CRYST1 112.000 80.000 64.900 90.00 118.00 90.00 C 1 2 1 4 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 0.008929 0.000000 0.004747 0.00000 +SCALE2 0.000000 0.012500 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.017451 0.00000 +ATOM 1 N ASP L 1 20.906 -15.638 12.067 1.00 47.61 N +ATOM 2 CA ASP L 1 22.290 -15.122 12.255 1.00 43.71 C +ATOM 3 C ASP L 1 23.217 -16.226 12.755 1.00 39.92 C +ATOM 4 O ASP L 1 23.358 -16.444 13.953 1.00 40.04 O +ATOM 5 CB ASP L 1 22.272 -13.964 13.248 1.00 46.21 C +ATOM 6 CG ASP L 1 21.011 -13.950 14.085 1.00 50.61 C +ATOM 7 OD1 ASP L 1 20.696 -14.987 14.702 1.00 56.57 O +ATOM 8 OD2 ASP L 1 20.326 -12.910 14.124 1.00 56.60 O +ATOM 9 N ILE L 2 23.829 -16.941 11.824 1.00 34.30 N +ATOM 10 CA ILE L 2 24.762 -17.997 12.187 1.00 31.02 C +ATOM 11 C ILE L 2 26.070 -17.316 12.586 1.00 27.13 C +ATOM 12 O ILE L 2 26.765 -16.747 11.751 1.00 28.79 O +ATOM 13 CB ILE L 2 25.008 -18.957 10.995 1.00 30.40 C +ATOM 14 CG1 ILE L 2 23.716 -19.705 10.660 1.00 28.41 C +ATOM 15 CG2 ILE L 2 26.128 -19.937 11.320 1.00 26.66 C +ATOM 16 CD1 ILE L 2 23.709 -20.336 9.277 1.00 29.60 C +ATOM 17 N VAL L 3 26.395 -17.367 13.871 1.00 25.00 N +ATOM 18 CA VAL L 3 27.603 -16.736 14.372 1.00 24.58 C +ATOM 19 C VAL L 3 28.822 -17.618 14.184 1.00 24.54 C +ATOM 20 O VAL L 3 28.787 -18.810 14.497 1.00 26.07 O +ATOM 21 CB VAL L 3 27.461 -16.402 15.871 1.00 25.45 C +ATOM 22 CG1 VAL L 3 28.754 -15.797 16.399 1.00 24.45 C +ATOM 23 CG2 VAL L 3 26.291 -15.457 16.078 1.00 25.38 C +ATOM 24 N LEU L 4 29.899 -17.026 13.675 1.00 23.73 N +ATOM 25 CA LEU L 4 31.145 -17.754 13.456 1.00 23.33 C +ATOM 26 C LEU L 4 32.192 -17.270 14.449 1.00 26.33 C +ATOM 27 O LEU L 4 32.403 -16.064 14.602 1.00 29.53 O +ATOM 28 CB LEU L 4 31.649 -17.545 12.025 1.00 20.09 C +ATOM 29 CG LEU L 4 30.691 -17.835 10.862 1.00 17.59 C +ATOM 30 CD1 LEU L 4 31.376 -17.452 9.566 1.00 17.43 C +ATOM 31 CD2 LEU L 4 30.296 -19.304 10.821 1.00 15.68 C +ATOM 32 N THR L 5 32.843 -18.212 15.126 1.00 27.56 N +ATOM 33 CA THR L 5 33.864 -17.879 16.120 1.00 24.76 C +ATOM 34 C THR L 5 35.219 -18.433 15.699 1.00 21.76 C +ATOM 35 O THR L 5 35.357 -19.624 15.450 1.00 23.44 O +ATOM 36 CB THR L 5 33.479 -18.451 17.509 1.00 25.21 C +ATOM 37 OG1 THR L 5 32.245 -17.863 17.939 1.00 28.00 O +ATOM 38 CG2 THR L 5 34.548 -18.147 18.531 1.00 24.03 C +ATOM 39 N GLN L 6 36.219 -17.564 15.618 1.00 21.82 N +ATOM 40 CA GLN L 6 37.557 -17.983 15.205 1.00 21.68 C +ATOM 41 C GLN L 6 38.547 -18.022 16.362 1.00 24.05 C +ATOM 42 O GLN L 6 38.608 -17.104 17.173 1.00 25.91 O +ATOM 43 CB GLN L 6 38.084 -17.051 14.103 1.00 19.73 C +ATOM 44 CG GLN L 6 37.633 -17.447 12.686 1.00 19.70 C +ATOM 45 CD GLN L 6 38.049 -16.452 11.611 1.00 18.58 C +ATOM 46 OE1 GLN L 6 37.322 -15.505 11.317 1.00 22.23 O +ATOM 47 NE2 GLN L 6 39.218 -16.669 11.014 1.00 17.75 N +ATOM 48 N SER L 7 39.319 -19.099 16.429 1.00 28.93 N +ATOM 49 CA SER L 7 40.319 -19.288 17.473 1.00 33.39 C +ATOM 50 C SER L 7 41.622 -19.719 16.811 1.00 34.55 C +ATOM 51 O SER L 7 41.625 -20.580 15.941 1.00 38.60 O +ATOM 52 CB SER L 7 39.845 -20.369 18.458 1.00 37.79 C +ATOM 53 OG SER L 7 40.767 -20.566 19.518 1.00 42.02 O +ATOM 54 N PRO L 8 42.750 -19.111 17.194 1.00 33.64 N +ATOM 55 CA PRO L 8 42.909 -18.050 18.192 1.00 34.27 C +ATOM 56 C PRO L 8 42.704 -16.662 17.583 1.00 33.27 C +ATOM 57 O PRO L 8 42.658 -16.523 16.359 1.00 33.14 O +ATOM 58 CB PRO L 8 44.342 -18.240 18.670 1.00 36.67 C +ATOM 59 CG PRO L 8 45.057 -18.756 17.444 1.00 34.72 C +ATOM 60 CD PRO L 8 44.044 -19.513 16.616 1.00 33.33 C +ATOM 61 N ALA L 9 42.586 -15.644 18.434 1.00 29.41 N +ATOM 62 CA ALA L 9 42.408 -14.275 17.959 1.00 32.30 C +ATOM 63 C ALA L 9 43.711 -13.771 17.333 1.00 32.00 C +ATOM 64 O ALA L 9 43.713 -13.238 16.224 1.00 31.23 O +ATOM 65 CB ALA L 9 41.990 -13.370 19.097 1.00 32.96 C +ATOM 66 N ILE L 10 44.818 -13.930 18.046 1.00 31.40 N +ATOM 67 CA ILE L 10 46.114 -13.522 17.521 1.00 32.76 C +ATOM 68 C ILE L 10 47.057 -14.692 17.752 1.00 33.22 C +ATOM 69 O ILE L 10 46.830 -15.509 18.638 1.00 34.55 O +ATOM 70 CB ILE L 10 46.692 -12.278 18.254 1.00 35.18 C +ATOM 71 CG1 ILE L 10 45.634 -11.177 18.362 1.00 38.02 C +ATOM 72 CG2 ILE L 10 47.904 -11.742 17.490 1.00 33.09 C +ATOM 73 CD1 ILE L 10 46.211 -9.786 18.651 1.00 35.97 C +ATOM 74 N MET L 11 48.113 -14.784 16.958 1.00 34.67 N +ATOM 75 CA MET L 11 49.071 -15.864 17.127 1.00 36.69 C +ATOM 76 C MET L 11 50.359 -15.585 16.372 1.00 36.78 C +ATOM 77 O MET L 11 50.377 -14.789 15.437 1.00 37.74 O +ATOM 78 CB MET L 11 48.457 -17.193 16.677 1.00 39.19 C +ATOM 79 CG MET L 11 48.533 -17.473 15.190 1.00 41.14 C +ATOM 80 SD MET L 11 48.310 -19.226 14.868 1.00 47.88 S +ATOM 81 CE MET L 11 46.593 -19.283 14.626 1.00 37.73 C +ATOM 82 N SER L 12 51.439 -16.238 16.789 1.00 38.17 N +ATOM 83 CA SER L 12 52.740 -16.048 16.161 1.00 37.64 C +ATOM 84 C SER L 12 53.371 -17.366 15.757 1.00 37.27 C +ATOM 85 O SER L 12 53.322 -18.345 16.497 1.00 40.14 O +ATOM 86 CB SER L 12 53.666 -15.312 17.114 1.00 37.50 C +ATOM 87 OG SER L 12 53.037 -14.138 17.590 1.00 45.55 O +ATOM 88 N ALA L 13 53.969 -17.388 14.577 1.00 37.60 N +ATOM 89 CA ALA L 13 54.601 -18.597 14.086 1.00 37.92 C +ATOM 90 C ALA L 13 55.987 -18.293 13.551 1.00 39.43 C +ATOM 91 O ALA L 13 56.139 -17.459 12.663 1.00 42.13 O +ATOM 92 CB ALA L 13 53.750 -19.209 12.994 1.00 37.38 C +ATOM 93 N SER L 14 57.001 -18.959 14.099 1.00 39.38 N +ATOM 94 CA SER L 14 58.369 -18.760 13.631 1.00 38.45 C +ATOM 95 C SER L 14 58.387 -19.303 12.209 1.00 37.57 C +ATOM 96 O SER L 14 57.562 -20.150 11.862 1.00 35.86 O +ATOM 97 CB SER L 14 59.354 -19.543 14.501 1.00 36.45 C +ATOM 98 OG SER L 14 59.034 -19.423 15.875 1.00 39.12 O +ATOM 99 N LEU L 15 59.311 -18.825 11.383 1.00 36.40 N +ATOM 100 CA LEU L 15 59.376 -19.296 10.002 1.00 39.70 C +ATOM 101 C LEU L 15 59.546 -20.822 9.882 1.00 40.62 C +ATOM 102 O LEU L 15 60.297 -21.433 10.642 1.00 41.68 O +ATOM 103 CB LEU L 15 60.509 -18.580 9.263 1.00 39.31 C +ATOM 104 CG LEU L 15 60.182 -17.143 8.843 1.00 40.46 C +ATOM 105 CD1 LEU L 15 61.426 -16.481 8.281 1.00 40.50 C +ATOM 106 CD2 LEU L 15 59.064 -17.139 7.809 1.00 39.55 C +ATOM 107 N GLY L 16 58.831 -21.426 8.932 1.00 39.98 N +ATOM 108 CA GLY L 16 58.920 -22.862 8.721 1.00 38.24 C +ATOM 109 C GLY L 16 58.031 -23.713 9.612 1.00 38.09 C +ATOM 110 O GLY L 16 57.889 -24.914 9.391 1.00 37.14 O +ATOM 111 N GLU L 17 57.437 -23.089 10.622 1.00 40.18 N +ATOM 112 CA GLU L 17 56.551 -23.763 11.572 1.00 42.45 C +ATOM 113 C GLU L 17 55.195 -24.077 10.942 1.00 41.60 C +ATOM 114 O GLU L 17 54.773 -23.384 10.022 1.00 42.04 O +ATOM 115 CB GLU L 17 56.318 -22.854 12.773 1.00 45.95 C +ATOM 116 CG GLU L 17 57.029 -23.243 14.044 1.00 49.40 C +ATOM 117 CD GLU L 17 56.406 -22.562 15.243 1.00 54.09 C +ATOM 118 OE1 GLU L 17 55.212 -22.817 15.504 1.00 57.35 O +ATOM 119 OE2 GLU L 17 57.098 -21.768 15.916 1.00 58.91 O +ATOM 120 N ARG L 18 54.515 -25.109 11.444 1.00 40.96 N +ATOM 121 CA ARG L 18 53.189 -25.486 10.932 1.00 40.09 C +ATOM 122 C ARG L 18 52.112 -24.714 11.695 1.00 36.86 C +ATOM 123 O ARG L 18 52.146 -24.652 12.924 1.00 36.69 O +ATOM 124 CB ARG L 18 52.946 -26.993 11.095 1.00 42.08 C +ATOM 125 CG ARG L 18 51.509 -27.430 10.789 1.00 42.83 C +ATOM 126 CD ARG L 18 50.979 -28.410 11.833 1.00 44.37 C +ATOM 127 NE ARG L 18 49.698 -29.004 11.453 1.00 44.60 N +ATOM 128 CZ ARG L 18 49.470 -29.613 10.291 1.00 45.83 C +ATOM 129 NH1 ARG L 18 50.435 -29.712 9.385 1.00 43.93 N +ATOM 130 NH2 ARG L 18 48.277 -30.132 10.036 1.00 44.07 N +ATOM 131 N VAL L 19 51.152 -24.145 10.972 1.00 32.93 N +ATOM 132 CA VAL L 19 50.094 -23.357 11.606 1.00 32.89 C +ATOM 133 C VAL L 19 48.675 -23.862 11.366 1.00 32.58 C +ATOM 134 O VAL L 19 48.343 -24.328 10.276 1.00 32.53 O +ATOM 135 CB VAL L 19 50.153 -21.881 11.134 1.00 32.69 C +ATOM 136 CG1 VAL L 19 49.029 -21.079 11.771 1.00 33.61 C +ATOM 137 CG2 VAL L 19 51.502 -21.270 11.482 1.00 30.69 C +ATOM 138 N THR L 20 47.832 -23.750 12.388 1.00 33.40 N +ATOM 139 CA THR L 20 46.438 -24.174 12.265 1.00 32.85 C +ATOM 140 C THR L 20 45.500 -23.256 13.045 1.00 29.06 C +ATOM 141 O THR L 20 45.761 -22.921 14.194 1.00 30.08 O +ATOM 142 CB THR L 20 46.232 -25.621 12.768 1.00 34.65 C +ATOM 143 OG1 THR L 20 47.141 -26.502 12.095 1.00 41.83 O +ATOM 144 CG2 THR L 20 44.811 -26.080 12.492 1.00 35.29 C +ATOM 145 N MET L 21 44.411 -22.848 12.405 1.00 26.95 N +ATOM 146 CA MET L 21 43.425 -21.992 13.045 1.00 24.63 C +ATOM 147 C MET L 21 42.036 -22.556 12.751 1.00 24.26 C +ATOM 148 O MET L 21 41.818 -23.187 11.714 1.00 27.24 O +ATOM 149 CB MET L 21 43.548 -20.563 12.525 1.00 27.01 C +ATOM 150 CG MET L 21 43.450 -20.439 11.006 1.00 25.55 C +ATOM 151 SD MET L 21 43.944 -18.798 10.446 1.00 24.82 S +ATOM 152 CE MET L 21 45.739 -18.934 10.546 1.00 15.61 C +ATOM 153 N THR L 22 41.097 -22.318 13.659 1.00 24.80 N +ATOM 154 CA THR L 22 39.744 -22.841 13.527 1.00 22.28 C +ATOM 155 C THR L 22 38.648 -21.798 13.390 1.00 23.13 C +ATOM 156 O THR L 22 38.837 -20.623 13.705 1.00 25.51 O +ATOM 157 CB THR L 22 39.387 -23.727 14.737 1.00 22.89 C +ATOM 158 OG1 THR L 22 39.199 -22.898 15.888 1.00 26.87 O +ATOM 159 CG2 THR L 22 40.506 -24.729 15.022 1.00 21.61 C +ATOM 160 N CYS L 23 37.494 -22.266 12.920 1.00 24.26 N +ATOM 161 CA CYS L 23 36.296 -21.449 12.723 1.00 24.14 C +ATOM 162 C CYS L 23 35.104 -22.340 13.061 1.00 21.96 C +ATOM 163 O CYS L 23 34.892 -23.372 12.431 1.00 24.18 O +ATOM 164 CB CYS L 23 36.193 -20.984 11.254 1.00 23.50 C +ATOM 165 SG CYS L 23 34.614 -20.195 10.752 1.00 27.38 S +ATOM 166 N THR L 24 34.335 -21.963 14.069 1.00 25.61 N +ATOM 167 CA THR L 24 33.173 -22.755 14.426 1.00 25.69 C +ATOM 168 C THR L 24 31.900 -21.904 14.318 1.00 25.14 C +ATOM 169 O THR L 24 31.866 -20.742 14.733 1.00 24.60 O +ATOM 170 CB THR L 24 33.339 -23.378 15.846 1.00 27.82 C +ATOM 171 OG1 THR L 24 33.474 -22.341 16.826 1.00 37.19 O +ATOM 172 CG2 THR L 24 34.589 -24.251 15.896 1.00 21.72 C +ATOM 173 N ALA L 25 30.867 -22.501 13.729 1.00 26.38 N +ATOM 174 CA ALA L 25 29.571 -21.865 13.502 1.00 24.69 C +ATOM 175 C ALA L 25 28.527 -22.229 14.559 1.00 24.34 C +ATOM 176 O ALA L 25 28.537 -23.332 15.097 1.00 25.17 O +ATOM 177 CB ALA L 25 29.057 -22.262 12.115 1.00 22.93 C +ATOM 178 N SER L 26 27.615 -21.305 14.842 1.00 27.21 N +ATOM 179 CA SER L 26 26.564 -21.552 15.826 1.00 29.22 C +ATOM 180 C SER L 26 25.640 -22.700 15.402 1.00 30.22 C +ATOM 181 O SER L 26 25.161 -23.457 16.247 1.00 32.47 O +ATOM 182 CB SER L 26 25.750 -20.278 16.079 1.00 24.44 C +ATOM 183 OG SER L 26 25.337 -19.678 14.871 1.00 31.29 O +ATOM 184 N SER L 27 25.372 -22.809 14.102 1.00 32.27 N +ATOM 185 CA SER L 27 24.550 -23.893 13.548 1.00 30.98 C +ATOM 186 C SER L 27 25.346 -24.466 12.382 1.00 29.87 C +ATOM 187 O SER L 27 26.323 -23.870 11.937 1.00 32.49 O +ATOM 188 CB SER L 27 23.195 -23.402 13.022 1.00 30.66 C +ATOM 189 OG SER L 27 22.709 -22.285 13.736 1.00 38.74 O +ATOM 190 N SER L 27A 24.936 -25.618 11.880 1.00 27.03 N +ATOM 191 CA SER L 27A 25.662 -26.218 10.785 1.00 27.39 C +ATOM 192 C SER L 27A 25.431 -25.468 9.478 1.00 28.44 C +ATOM 193 O SER L 27A 24.365 -24.889 9.261 1.00 31.19 O +ATOM 194 CB SER L 27A 25.240 -27.675 10.623 1.00 27.68 C +ATOM 195 OG SER L 27A 25.386 -28.100 9.277 1.00 34.17 O +ATOM 196 N VAL L 28 26.448 -25.459 8.622 1.00 26.34 N +ATOM 197 CA VAL L 28 26.349 -24.831 7.311 1.00 23.30 C +ATOM 198 C VAL L 28 26.950 -25.812 6.314 1.00 22.21 C +ATOM 199 O VAL L 28 27.719 -26.687 6.701 1.00 23.61 O +ATOM 200 CB VAL L 28 27.128 -23.485 7.229 1.00 22.50 C +ATOM 201 CG1 VAL L 28 26.392 -22.415 8.001 1.00 25.76 C +ATOM 202 CG2 VAL L 28 28.524 -23.643 7.775 1.00 23.90 C +ATOM 203 N SER L 29 26.589 -25.684 5.041 1.00 20.70 N +ATOM 204 CA SER L 29 27.136 -26.550 4.009 1.00 19.14 C +ATOM 205 C SER L 29 28.633 -26.255 3.858 1.00 22.98 C +ATOM 206 O SER L 29 29.057 -25.093 3.885 1.00 23.41 O +ATOM 207 CB SER L 29 26.434 -26.292 2.676 1.00 19.42 C +ATOM 208 OG SER L 29 27.079 -26.982 1.618 1.00 20.02 O +ATOM 209 N SER L 30 29.433 -27.304 3.698 1.00 21.07 N +ATOM 210 CA SER L 30 30.870 -27.138 3.533 1.00 20.00 C +ATOM 211 C SER L 30 31.160 -26.385 2.234 1.00 19.93 C +ATOM 212 O SER L 30 32.224 -25.807 2.070 1.00 20.89 O +ATOM 213 CB SER L 30 31.554 -28.510 3.502 1.00 19.64 C +ATOM 214 OG SER L 30 31.575 -29.060 2.191 1.00 23.77 O +ATOM 215 N SER L 31 30.202 -26.396 1.314 1.00 20.90 N +ATOM 216 CA SER L 31 30.369 -25.727 0.030 1.00 21.08 C +ATOM 217 C SER L 31 30.196 -24.216 0.135 1.00 21.53 C +ATOM 218 O SER L 31 30.690 -23.466 -0.699 1.00 23.18 O +ATOM 219 CB SER L 31 29.364 -26.284 -0.979 1.00 20.70 C +ATOM 220 OG SER L 31 28.054 -25.793 -0.725 1.00 22.37 O +ATOM 221 N ASN L 32 29.502 -23.776 1.175 1.00 23.91 N +ATOM 222 CA ASN L 32 29.225 -22.364 1.376 1.00 19.76 C +ATOM 223 C ASN L 32 30.113 -21.737 2.435 1.00 19.23 C +ATOM 224 O ASN L 32 29.827 -20.645 2.916 1.00 21.58 O +ATOM 225 CB ASN L 32 27.750 -22.185 1.771 1.00 17.36 C +ATOM 226 CG ASN L 32 26.798 -22.450 0.626 1.00 18.60 C +ATOM 227 OD1 ASN L 32 25.711 -23.004 0.817 1.00 24.10 O +ATOM 228 ND2 ASN L 32 27.192 -22.049 -0.568 1.00 16.90 N +ATOM 229 N LEU L 33 31.178 -22.423 2.825 1.00 20.04 N +ATOM 230 CA LEU L 33 32.076 -21.859 3.820 1.00 22.07 C +ATOM 231 C LEU L 33 33.449 -21.551 3.201 1.00 21.29 C +ATOM 232 O LEU L 33 34.129 -22.447 2.697 1.00 19.83 O +ATOM 233 CB LEU L 33 32.219 -22.798 5.032 1.00 20.41 C +ATOM 234 CG LEU L 33 32.883 -22.031 6.186 1.00 25.24 C +ATOM 235 CD1 LEU L 33 31.968 -21.968 7.366 1.00 25.40 C +ATOM 236 CD2 LEU L 33 34.212 -22.660 6.544 1.00 23.78 C +ATOM 237 N HIS L 34 33.847 -20.278 3.245 1.00 18.39 N +ATOM 238 CA HIS L 34 35.112 -19.839 2.662 1.00 20.02 C +ATOM 239 C HIS L 34 36.001 -19.048 3.626 1.00 19.72 C +ATOM 240 O HIS L 34 35.539 -18.583 4.662 1.00 23.21 O +ATOM 241 CB HIS L 34 34.831 -18.975 1.415 1.00 22.25 C +ATOM 242 CG HIS L 34 33.609 -19.385 0.649 1.00 20.08 C +ATOM 243 ND1 HIS L 34 33.648 -20.322 -0.362 1.00 15.74 N +ATOM 244 CD2 HIS L 34 32.313 -18.997 0.755 1.00 19.17 C +ATOM 245 CE1 HIS L 34 32.427 -20.496 -0.842 1.00 17.15 C +ATOM 246 NE2 HIS L 34 31.600 -19.704 -0.183 1.00 16.26 N +ATOM 247 N TRP L 35 37.278 -18.898 3.273 1.00 21.19 N +ATOM 248 CA TRP L 35 38.236 -18.146 4.084 1.00 21.45 C +ATOM 249 C TRP L 35 38.841 -17.008 3.260 1.00 24.16 C +ATOM 250 O TRP L 35 39.172 -17.191 2.089 1.00 24.62 O +ATOM 251 CB TRP L 35 39.384 -19.039 4.555 1.00 20.85 C +ATOM 252 CG TRP L 35 39.021 -20.080 5.564 1.00 17.39 C +ATOM 253 CD1 TRP L 35 38.403 -21.270 5.321 1.00 15.90 C +ATOM 254 CD2 TRP L 35 39.321 -20.059 6.967 1.00 14.86 C +ATOM 255 NE1 TRP L 35 38.301 -21.992 6.481 1.00 18.47 N +ATOM 256 CE2 TRP L 35 38.857 -21.274 7.509 1.00 17.36 C +ATOM 257 CE3 TRP L 35 39.939 -19.132 7.817 1.00 13.23 C +ATOM 258 CZ2 TRP L 35 38.991 -21.591 8.873 1.00 18.88 C +ATOM 259 CZ3 TRP L 35 40.074 -19.450 9.172 1.00 16.13 C +ATOM 260 CH2 TRP L 35 39.601 -20.670 9.683 1.00 12.91 C +ATOM 261 N TYR L 36 38.998 -15.839 3.875 1.00 25.04 N +ATOM 262 CA TYR L 36 39.588 -14.692 3.187 1.00 22.35 C +ATOM 263 C TYR L 36 40.886 -14.266 3.858 1.00 20.28 C +ATOM 264 O TYR L 36 41.066 -14.444 5.061 1.00 21.81 O +ATOM 265 CB TYR L 36 38.620 -13.499 3.184 1.00 22.01 C +ATOM 266 CG TYR L 36 37.455 -13.668 2.246 1.00 19.72 C +ATOM 267 CD1 TYR L 36 36.325 -14.363 2.648 1.00 18.84 C +ATOM 268 CD2 TYR L 36 37.498 -13.167 0.946 1.00 18.27 C +ATOM 269 CE1 TYR L 36 35.266 -14.564 1.788 1.00 22.54 C +ATOM 270 CE2 TYR L 36 36.441 -13.363 0.073 1.00 17.83 C +ATOM 271 CZ TYR L 36 35.326 -14.066 0.503 1.00 21.75 C +ATOM 272 OH TYR L 36 34.262 -14.300 -0.341 1.00 22.17 O +ATOM 273 N GLN L 37 41.796 -13.709 3.080 1.00 16.74 N +ATOM 274 CA GLN L 37 43.040 -13.239 3.647 1.00 17.05 C +ATOM 275 C GLN L 37 43.056 -11.729 3.459 1.00 17.49 C +ATOM 276 O GLN L 37 42.694 -11.239 2.398 1.00 19.93 O +ATOM 277 CB GLN L 37 44.226 -13.869 2.923 1.00 15.90 C +ATOM 278 CG GLN L 37 45.576 -13.503 3.531 1.00 18.56 C +ATOM 279 CD GLN L 37 46.682 -13.423 2.502 1.00 15.29 C +ATOM 280 OE1 GLN L 37 46.698 -12.525 1.669 1.00 23.17 O +ATOM 281 NE2 GLN L 37 47.613 -14.365 2.556 1.00 16.35 N +ATOM 282 N GLN L 38 43.445 -10.985 4.485 1.00 17.18 N +ATOM 283 CA GLN L 38 43.507 -9.539 4.340 1.00 19.08 C +ATOM 284 C GLN L 38 44.750 -8.967 4.984 1.00 20.70 C +ATOM 285 O GLN L 38 45.134 -9.358 6.079 1.00 26.41 O +ATOM 286 CB GLN L 38 42.279 -8.868 4.953 1.00 18.10 C +ATOM 287 CG GLN L 38 42.309 -7.336 4.856 1.00 17.43 C +ATOM 288 CD GLN L 38 40.975 -6.690 5.208 1.00 20.36 C +ATOM 289 OE1 GLN L 38 40.389 -6.976 6.248 1.00 26.59 O +ATOM 290 NE2 GLN L 38 40.494 -5.809 4.341 1.00 22.74 N +ATOM 291 N LYS L 39 45.388 -8.045 4.283 1.00 24.15 N +ATOM 292 CA LYS L 39 46.579 -7.379 4.794 1.00 26.26 C +ATOM 293 C LYS L 39 46.185 -5.919 4.934 1.00 27.17 C +ATOM 294 O LYS L 39 45.305 -5.439 4.218 1.00 26.58 O +ATOM 295 CB LYS L 39 47.745 -7.520 3.813 1.00 24.90 C +ATOM 296 CG LYS L 39 48.003 -8.952 3.368 1.00 27.09 C +ATOM 297 CD LYS L 39 49.415 -9.138 2.832 1.00 24.78 C +ATOM 298 CE LYS L 39 49.973 -10.480 3.258 1.00 27.82 C +ATOM 299 NZ LYS L 39 50.937 -11.031 2.278 1.00 28.46 N +ATOM 300 N PRO L 40 46.794 -5.203 5.887 1.00 28.96 N +ATOM 301 CA PRO L 40 46.454 -3.789 6.071 1.00 30.42 C +ATOM 302 C PRO L 40 46.479 -2.938 4.794 1.00 31.55 C +ATOM 303 O PRO L 40 47.438 -2.987 4.018 1.00 31.46 O +ATOM 304 CB PRO L 40 47.470 -3.316 7.115 1.00 30.06 C +ATOM 305 CG PRO L 40 47.765 -4.554 7.913 1.00 29.07 C +ATOM 306 CD PRO L 40 47.779 -5.664 6.882 1.00 29.45 C +ATOM 307 N GLY L 41 45.401 -2.186 4.568 1.00 31.79 N +ATOM 308 CA GLY L 41 45.337 -1.306 3.415 1.00 32.83 C +ATOM 309 C GLY L 41 44.758 -1.786 2.097 1.00 33.94 C +ATOM 310 O GLY L 41 44.622 -0.990 1.166 1.00 36.27 O +ATOM 311 N SER L 42 44.432 -3.069 1.988 1.00 33.80 N +ATOM 312 CA SER L 42 43.857 -3.588 0.749 1.00 31.21 C +ATOM 313 C SER L 42 42.640 -4.443 1.059 1.00 28.98 C +ATOM 314 O SER L 42 42.401 -4.795 2.211 1.00 30.94 O +ATOM 315 CB SER L 42 44.892 -4.403 -0.030 1.00 30.19 C +ATOM 316 OG SER L 42 45.403 -5.465 0.749 1.00 33.18 O +ATOM 317 N SER L 43 41.876 -4.773 0.029 1.00 25.77 N +ATOM 318 CA SER L 43 40.667 -5.569 0.194 1.00 27.73 C +ATOM 319 C SER L 43 40.902 -7.017 0.619 1.00 26.31 C +ATOM 320 O SER L 43 41.996 -7.561 0.445 1.00 23.64 O +ATOM 321 CB SER L 43 39.866 -5.582 -1.114 1.00 31.82 C +ATOM 322 OG SER L 43 39.882 -4.318 -1.747 1.00 40.94 O +ATOM 323 N PRO L 44 39.875 -7.651 1.216 1.00 26.56 N +ATOM 324 CA PRO L 44 40.025 -9.046 1.628 1.00 25.34 C +ATOM 325 C PRO L 44 40.082 -9.835 0.329 1.00 26.67 C +ATOM 326 O PRO L 44 39.403 -9.494 -0.641 1.00 24.03 O +ATOM 327 CB PRO L 44 38.747 -9.339 2.426 1.00 25.01 C +ATOM 328 CG PRO L 44 38.145 -7.999 2.731 1.00 21.68 C +ATOM 329 CD PRO L 44 38.548 -7.122 1.581 1.00 27.21 C +ATOM 330 N LYS L 45 40.893 -10.881 0.304 1.00 28.26 N +ATOM 331 CA LYS L 45 41.042 -11.684 -0.897 1.00 28.05 C +ATOM 332 C LYS L 45 40.720 -13.156 -0.625 1.00 25.09 C +ATOM 333 O LYS L 45 41.176 -13.722 0.366 1.00 23.98 O +ATOM 334 CB LYS L 45 42.472 -11.507 -1.412 1.00 32.51 C +ATOM 335 CG LYS L 45 43.075 -12.721 -2.055 1.00 41.83 C +ATOM 336 CD LYS L 45 44.515 -12.454 -2.454 1.00 51.58 C +ATOM 337 CE LYS L 45 44.797 -12.993 -3.846 1.00 55.09 C +ATOM 338 NZ LYS L 45 44.115 -12.170 -4.893 1.00 61.00 N +ATOM 339 N LEU L 46 39.928 -13.768 -1.501 1.00 25.16 N +ATOM 340 CA LEU L 46 39.549 -15.172 -1.339 1.00 25.28 C +ATOM 341 C LEU L 46 40.781 -16.071 -1.261 1.00 24.07 C +ATOM 342 O LEU L 46 41.628 -16.073 -2.158 1.00 22.32 O +ATOM 343 CB LEU L 46 38.640 -15.618 -2.493 1.00 21.94 C +ATOM 344 CG LEU L 46 38.026 -17.019 -2.392 1.00 17.02 C +ATOM 345 CD1 LEU L 46 37.055 -17.098 -1.232 1.00 15.09 C +ATOM 346 CD2 LEU L 46 37.321 -17.338 -3.685 1.00 15.63 C +ATOM 347 N TRP L 47 40.880 -16.822 -0.168 1.00 26.27 N +ATOM 348 CA TRP L 47 42.008 -17.716 0.051 1.00 24.98 C +ATOM 349 C TRP L 47 41.613 -19.173 -0.144 1.00 27.00 C +ATOM 350 O TRP L 47 42.260 -19.908 -0.894 1.00 29.21 O +ATOM 351 CB TRP L 47 42.583 -17.512 1.450 1.00 21.80 C +ATOM 352 CG TRP L 47 44.074 -17.575 1.440 1.00 21.73 C +ATOM 353 CD1 TRP L 47 44.861 -18.493 2.075 1.00 22.51 C +ATOM 354 CD2 TRP L 47 44.965 -16.736 0.685 1.00 20.28 C +ATOM 355 NE1 TRP L 47 46.188 -18.282 1.760 1.00 22.22 N +ATOM 356 CE2 TRP L 47 46.279 -17.212 0.910 1.00 21.17 C +ATOM 357 CE3 TRP L 47 44.782 -15.633 -0.160 1.00 17.21 C +ATOM 358 CZ2 TRP L 47 47.404 -16.621 0.318 1.00 20.61 C +ATOM 359 CZ3 TRP L 47 45.897 -15.050 -0.745 1.00 18.04 C +ATOM 360 CH2 TRP L 47 47.192 -15.547 -0.502 1.00 17.63 C +ATOM 361 N ILE L 48 40.548 -19.587 0.532 1.00 24.14 N +ATOM 362 CA ILE L 48 40.057 -20.951 0.414 1.00 20.85 C +ATOM 363 C ILE L 48 38.547 -20.904 0.214 1.00 22.72 C +ATOM 364 O ILE L 48 37.831 -20.272 0.993 1.00 22.68 O +ATOM 365 CB ILE L 48 40.392 -21.779 1.681 1.00 21.07 C +ATOM 366 CG1 ILE L 48 41.901 -22.053 1.744 1.00 23.04 C +ATOM 367 CG2 ILE L 48 39.644 -23.081 1.663 1.00 17.68 C +ATOM 368 CD1 ILE L 48 42.427 -22.322 3.149 1.00 22.78 C +ATOM 369 N TYR L 49 38.060 -21.547 -0.845 1.00 21.54 N +ATOM 370 CA TYR L 49 36.622 -21.578 -1.096 1.00 24.58 C +ATOM 371 C TYR L 49 36.050 -22.984 -0.885 1.00 25.02 C +ATOM 372 O TYR L 49 36.749 -23.985 -1.062 1.00 27.36 O +ATOM 373 CB TYR L 49 36.300 -21.081 -2.520 1.00 22.42 C +ATOM 374 CG TYR L 49 36.819 -21.950 -3.640 1.00 21.46 C +ATOM 375 CD1 TYR L 49 38.133 -21.834 -4.085 1.00 22.28 C +ATOM 376 CD2 TYR L 49 36.001 -22.901 -4.247 1.00 25.44 C +ATOM 377 CE1 TYR L 49 38.626 -22.649 -5.109 1.00 22.45 C +ATOM 378 CE2 TYR L 49 36.481 -23.725 -5.275 1.00 25.23 C +ATOM 379 CZ TYR L 49 37.795 -23.593 -5.699 1.00 26.41 C +ATOM 380 OH TYR L 49 38.279 -24.397 -6.710 1.00 30.16 O +ATOM 381 N SER L 50 34.782 -23.052 -0.490 1.00 25.31 N +ATOM 382 CA SER L 50 34.117 -24.329 -0.274 1.00 24.42 C +ATOM 383 C SER L 50 34.872 -25.222 0.689 1.00 22.10 C +ATOM 384 O SER L 50 35.027 -26.417 0.433 1.00 22.01 O +ATOM 385 CB SER L 50 33.944 -25.072 -1.604 1.00 27.46 C +ATOM 386 OG SER L 50 32.829 -24.583 -2.323 1.00 32.62 O +ATOM 387 N THR L 51 35.359 -24.634 1.776 1.00 22.32 N +ATOM 388 CA THR L 51 36.077 -25.363 2.832 1.00 24.18 C +ATOM 389 C THR L 51 37.512 -25.863 2.599 1.00 22.86 C +ATOM 390 O THR L 51 38.399 -25.581 3.402 1.00 24.30 O +ATOM 391 CB THR L 51 35.241 -26.583 3.316 1.00 23.88 C +ATOM 392 OG1 THR L 51 34.028 -26.121 3.922 1.00 25.33 O +ATOM 393 CG2 THR L 51 36.028 -27.417 4.325 1.00 19.16 C +ATOM 394 N SER L 52 37.742 -26.601 1.517 1.00 24.93 N +ATOM 395 CA SER L 52 39.065 -27.173 1.271 1.00 26.39 C +ATOM 396 C SER L 52 39.755 -26.822 -0.043 1.00 26.72 C +ATOM 397 O SER L 52 40.842 -27.327 -0.321 1.00 29.06 O +ATOM 398 CB SER L 52 38.965 -28.697 1.366 1.00 25.55 C +ATOM 399 OG SER L 52 37.885 -29.158 0.575 1.00 21.42 O +ATOM 400 N ASN L 53 39.139 -25.980 -0.859 1.00 26.75 N +ATOM 401 CA ASN L 53 39.754 -25.621 -2.127 1.00 24.82 C +ATOM 402 C ASN L 53 40.531 -24.319 -2.054 1.00 22.61 C +ATOM 403 O ASN L 53 40.105 -23.369 -1.405 1.00 25.66 O +ATOM 404 CB ASN L 53 38.693 -25.503 -3.208 1.00 28.12 C +ATOM 405 CG ASN L 53 37.693 -26.613 -3.158 1.00 25.88 C +ATOM 406 OD1 ASN L 53 37.888 -27.657 -3.772 1.00 32.45 O +ATOM 407 ND2 ASN L 53 36.607 -26.400 -2.434 1.00 27.12 N +ATOM 408 N LEU L 54 41.672 -24.286 -2.734 1.00 22.71 N +ATOM 409 CA LEU L 54 42.528 -23.105 -2.771 1.00 21.74 C +ATOM 410 C LEU L 54 42.142 -22.168 -3.908 1.00 21.80 C +ATOM 411 O LEU L 54 41.876 -22.609 -5.029 1.00 21.76 O +ATOM 412 CB LEU L 54 43.983 -23.522 -2.964 1.00 20.56 C +ATOM 413 CG LEU L 54 44.613 -24.433 -1.923 1.00 17.92 C +ATOM 414 CD1 LEU L 54 46.074 -24.685 -2.294 1.00 13.85 C +ATOM 415 CD2 LEU L 54 44.496 -23.776 -0.535 1.00 22.39 C +ATOM 416 N ALA L 55 42.119 -20.870 -3.624 1.00 23.65 N +ATOM 417 CA ALA L 55 41.789 -19.888 -4.651 1.00 25.98 C +ATOM 418 C ALA L 55 42.991 -19.685 -5.591 1.00 28.61 C +ATOM 419 O ALA L 55 44.131 -20.004 -5.246 1.00 27.06 O +ATOM 420 CB ALA L 55 41.395 -18.571 -4.001 1.00 22.70 C +ATOM 421 N SER L 56 42.733 -19.145 -6.777 1.00 31.78 N +ATOM 422 CA SER L 56 43.790 -18.916 -7.762 1.00 35.92 C +ATOM 423 C SER L 56 45.009 -18.187 -7.187 1.00 33.85 C +ATOM 424 O SER L 56 44.880 -17.123 -6.591 1.00 32.13 O +ATOM 425 CB SER L 56 43.230 -18.119 -8.948 1.00 40.57 C +ATOM 426 OG SER L 56 42.020 -18.682 -9.441 1.00 49.03 O +ATOM 427 N GLY L 57 46.192 -18.765 -7.368 1.00 34.38 N +ATOM 428 CA GLY L 57 47.400 -18.130 -6.874 1.00 33.43 C +ATOM 429 C GLY L 57 47.779 -18.405 -5.427 1.00 33.70 C +ATOM 430 O GLY L 57 48.858 -18.004 -4.991 1.00 35.40 O +ATOM 431 N VAL L 58 46.912 -19.081 -4.676 1.00 31.68 N +ATOM 432 CA VAL L 58 47.204 -19.385 -3.273 1.00 28.27 C +ATOM 433 C VAL L 58 48.179 -20.567 -3.197 1.00 29.29 C +ATOM 434 O VAL L 58 47.979 -21.604 -3.838 1.00 27.51 O +ATOM 435 CB VAL L 58 45.895 -19.696 -2.479 1.00 22.17 C +ATOM 436 CG1 VAL L 58 46.210 -20.116 -1.052 1.00 17.16 C +ATOM 437 CG2 VAL L 58 45.016 -18.464 -2.460 1.00 21.70 C +ATOM 438 N PRO L 59 49.255 -20.413 -2.410 1.00 29.40 N +ATOM 439 CA PRO L 59 50.292 -21.438 -2.227 1.00 30.69 C +ATOM 440 C PRO L 59 49.775 -22.784 -1.722 1.00 30.42 C +ATOM 441 O PRO L 59 48.907 -22.836 -0.851 1.00 25.54 O +ATOM 442 CB PRO L 59 51.271 -20.792 -1.249 1.00 27.98 C +ATOM 443 CG PRO L 59 51.011 -19.330 -1.364 1.00 29.30 C +ATOM 444 CD PRO L 59 49.541 -19.209 -1.616 1.00 26.64 C +ATOM 445 N ALA L 60 50.338 -23.863 -2.271 1.00 33.54 N +ATOM 446 CA ALA L 60 49.951 -25.235 -1.926 1.00 33.16 C +ATOM 447 C ALA L 60 50.238 -25.638 -0.481 1.00 30.38 C +ATOM 448 O ALA L 60 49.864 -26.728 -0.055 1.00 32.02 O +ATOM 449 CB ALA L 60 50.617 -26.232 -2.892 1.00 32.26 C +ATOM 450 N ARG L 61 50.894 -24.766 0.273 1.00 28.45 N +ATOM 451 CA ARG L 61 51.183 -25.060 1.668 1.00 26.76 C +ATOM 452 C ARG L 61 49.937 -24.851 2.531 1.00 28.65 C +ATOM 453 O ARG L 61 49.899 -25.267 3.688 1.00 32.05 O +ATOM 454 CB ARG L 61 52.310 -24.164 2.168 1.00 26.44 C +ATOM 455 CG ARG L 61 53.435 -24.002 1.168 1.00 28.18 C +ATOM 456 CD ARG L 61 54.460 -23.002 1.660 1.00 28.39 C +ATOM 457 NE ARG L 61 54.176 -21.651 1.194 1.00 28.51 N +ATOM 458 CZ ARG L 61 53.694 -20.684 1.968 1.00 30.79 C +ATOM 459 NH1 ARG L 61 53.441 -20.922 3.250 1.00 24.61 N +ATOM 460 NH2 ARG L 61 53.477 -19.474 1.461 1.00 29.78 N +ATOM 461 N PHE L 62 48.920 -24.203 1.964 1.00 29.05 N +ATOM 462 CA PHE L 62 47.667 -23.933 2.675 1.00 25.75 C +ATOM 463 C PHE L 62 46.659 -25.031 2.404 1.00 24.73 C +ATOM 464 O PHE L 62 46.620 -25.586 1.307 1.00 25.23 O +ATOM 465 CB PHE L 62 47.031 -22.620 2.199 1.00 23.59 C +ATOM 466 CG PHE L 62 47.701 -21.377 2.714 1.00 24.55 C +ATOM 467 CD1 PHE L 62 48.770 -20.812 2.027 1.00 22.94 C +ATOM 468 CD2 PHE L 62 47.220 -20.733 3.849 1.00 25.27 C +ATOM 469 CE1 PHE L 62 49.347 -19.615 2.460 1.00 26.06 C +ATOM 470 CE2 PHE L 62 47.790 -19.541 4.290 1.00 23.91 C +ATOM 471 CZ PHE L 62 48.855 -18.980 3.593 1.00 24.12 C +ATOM 472 N SER L 63 45.825 -25.321 3.397 1.00 25.49 N +ATOM 473 CA SER L 63 44.773 -26.316 3.241 1.00 25.06 C +ATOM 474 C SER L 63 43.577 -25.925 4.088 1.00 23.85 C +ATOM 475 O SER L 63 43.651 -25.000 4.898 1.00 25.92 O +ATOM 476 CB SER L 63 45.265 -27.713 3.634 1.00 25.92 C +ATOM 477 OG SER L 63 45.686 -27.775 4.984 1.00 25.12 O +ATOM 478 N GLY L 64 42.471 -26.626 3.882 1.00 25.60 N +ATOM 479 CA GLY L 64 41.265 -26.353 4.641 1.00 24.79 C +ATOM 480 C GLY L 64 40.494 -27.641 4.846 1.00 24.21 C +ATOM 481 O GLY L 64 40.588 -28.554 4.035 1.00 25.54 O +ATOM 482 N SER L 65 39.727 -27.729 5.923 1.00 25.44 N +ATOM 483 CA SER L 65 38.969 -28.942 6.184 1.00 27.00 C +ATOM 484 C SER L 65 37.822 -28.724 7.161 1.00 24.15 C +ATOM 485 O SER L 65 37.833 -27.786 7.950 1.00 20.99 O +ATOM 486 CB SER L 65 39.903 -30.037 6.711 1.00 28.72 C +ATOM 487 OG SER L 65 40.219 -29.835 8.077 1.00 36.52 O +ATOM 488 N GLY L 66 36.823 -29.595 7.085 1.00 23.87 N +ATOM 489 CA GLY L 66 35.683 -29.494 7.974 1.00 23.13 C +ATOM 490 C GLY L 66 34.321 -29.697 7.334 1.00 22.93 C +ATOM 491 O GLY L 66 34.195 -29.931 6.134 1.00 24.61 O +ATOM 492 N SER L 67 33.293 -29.615 8.171 1.00 24.94 N +ATOM 493 CA SER L 67 31.898 -29.754 7.762 1.00 22.49 C +ATOM 494 C SER L 67 31.064 -29.491 9.011 1.00 19.81 C +ATOM 495 O SER L 67 31.609 -29.332 10.103 1.00 19.69 O +ATOM 496 CB SER L 67 31.613 -31.162 7.208 1.00 23.05 C +ATOM 497 OG SER L 67 31.967 -32.170 8.135 1.00 25.61 O +ATOM 498 N GLY L 68 29.748 -29.426 8.855 1.00 21.05 N +ATOM 499 CA GLY L 68 28.908 -29.176 10.007 1.00 21.09 C +ATOM 500 C GLY L 68 29.153 -27.810 10.610 1.00 22.20 C +ATOM 501 O GLY L 68 28.911 -26.800 9.959 1.00 23.72 O +ATOM 502 N THR L 69 29.641 -27.771 11.847 1.00 25.74 N +ATOM 503 CA THR L 69 29.892 -26.505 12.536 1.00 25.49 C +ATOM 504 C THR L 69 31.364 -26.229 12.831 1.00 25.56 C +ATOM 505 O THR L 69 31.693 -25.202 13.409 1.00 26.47 O +ATOM 506 CB THR L 69 29.162 -26.468 13.886 1.00 25.27 C +ATOM 507 OG1 THR L 69 29.562 -27.602 14.657 1.00 24.71 O +ATOM 508 CG2 THR L 69 27.662 -26.504 13.698 1.00 23.93 C +ATOM 509 N SER L 70 32.247 -27.141 12.436 1.00 30.16 N +ATOM 510 CA SER L 70 33.680 -26.993 12.719 1.00 29.47 C +ATOM 511 C SER L 70 34.575 -26.986 11.479 1.00 25.92 C +ATOM 512 O SER L 70 34.516 -27.901 10.652 1.00 20.89 O +ATOM 513 CB SER L 70 34.125 -28.117 13.672 1.00 31.42 C +ATOM 514 OG SER L 70 35.393 -27.845 14.245 1.00 40.38 O +ATOM 515 N TYR L 71 35.410 -25.951 11.370 1.00 24.78 N +ATOM 516 CA TYR L 71 36.323 -25.802 10.242 1.00 24.02 C +ATOM 517 C TYR L 71 37.699 -25.308 10.656 1.00 20.97 C +ATOM 518 O TYR L 71 37.890 -24.836 11.764 1.00 26.13 O +ATOM 519 CB TYR L 71 35.735 -24.830 9.222 1.00 22.30 C +ATOM 520 CG TYR L 71 34.393 -25.253 8.674 1.00 20.29 C +ATOM 521 CD1 TYR L 71 33.203 -24.902 9.335 1.00 19.88 C +ATOM 522 CD2 TYR L 71 34.308 -26.018 7.505 1.00 14.20 C +ATOM 523 CE1 TYR L 71 31.957 -25.305 8.847 1.00 15.53 C +ATOM 524 CE2 TYR L 71 33.075 -26.426 7.009 1.00 10.88 C +ATOM 525 CZ TYR L 71 31.907 -26.069 7.683 1.00 15.39 C +ATOM 526 OH TYR L 71 30.693 -26.488 7.200 1.00 17.52 O +ATOM 527 N SER L 72 38.659 -25.407 9.750 1.00 24.28 N +ATOM 528 CA SER L 72 40.012 -24.961 10.037 1.00 21.94 C +ATOM 529 C SER L 72 40.822 -24.658 8.779 1.00 21.92 C +ATOM 530 O SER L 72 40.516 -25.146 7.690 1.00 22.75 O +ATOM 531 CB SER L 72 40.735 -26.020 10.873 1.00 25.04 C +ATOM 532 OG SER L 72 40.977 -27.208 10.128 1.00 28.39 O +ATOM 533 N LEU L 73 41.845 -23.824 8.946 1.00 24.88 N +ATOM 534 CA LEU L 73 42.765 -23.444 7.870 1.00 25.58 C +ATOM 535 C LEU L 73 44.144 -23.861 8.382 1.00 25.98 C +ATOM 536 O LEU L 73 44.453 -23.674 9.563 1.00 24.81 O +ATOM 537 CB LEU L 73 42.744 -21.918 7.624 1.00 26.47 C +ATOM 538 CG LEU L 73 43.646 -21.330 6.509 1.00 22.49 C +ATOM 539 CD1 LEU L 73 43.019 -20.099 5.874 1.00 17.80 C +ATOM 540 CD2 LEU L 73 44.988 -20.959 7.092 1.00 21.58 C +ATOM 541 N THR L 74 44.973 -24.418 7.505 1.00 28.48 N +ATOM 542 CA THR L 74 46.305 -24.868 7.917 1.00 29.13 C +ATOM 543 C THR L 74 47.418 -24.486 6.948 1.00 26.00 C +ATOM 544 O THR L 74 47.227 -24.514 5.734 1.00 26.75 O +ATOM 545 CB THR L 74 46.330 -26.415 8.086 1.00 30.11 C +ATOM 546 OG1 THR L 74 45.334 -26.805 9.038 1.00 31.58 O +ATOM 547 CG2 THR L 74 47.698 -26.893 8.561 1.00 28.24 C +ATOM 548 N ILE L 75 48.574 -24.122 7.493 1.00 25.18 N +ATOM 549 CA ILE L 75 49.736 -23.788 6.669 1.00 27.24 C +ATOM 550 C ILE L 75 50.819 -24.815 7.008 1.00 28.52 C +ATOM 551 O ILE L 75 51.337 -24.818 8.126 1.00 31.24 O +ATOM 552 CB ILE L 75 50.325 -22.391 6.985 1.00 26.39 C +ATOM 553 CG1 ILE L 75 49.230 -21.329 7.050 1.00 25.57 C +ATOM 554 CG2 ILE L 75 51.331 -22.017 5.916 1.00 23.29 C +ATOM 555 CD1 ILE L 75 49.737 -19.980 7.546 1.00 19.10 C +ATOM 556 N SER L 76 51.160 -25.683 6.060 1.00 28.44 N +ATOM 557 CA SER L 76 52.178 -26.700 6.312 1.00 29.82 C +ATOM 558 C SER L 76 53.482 -26.101 6.848 1.00 31.29 C +ATOM 559 O SER L 76 54.063 -26.626 7.801 1.00 32.81 O +ATOM 560 CB SER L 76 52.449 -27.502 5.041 1.00 25.92 C +ATOM 561 OG SER L 76 52.886 -26.667 3.990 1.00 32.17 O +ATOM 562 N SER L 77 53.936 -25.001 6.249 1.00 32.87 N +ATOM 563 CA SER L 77 55.161 -24.339 6.690 1.00 31.15 C +ATOM 564 C SER L 77 55.051 -22.821 6.580 1.00 30.42 C +ATOM 565 O SER L 77 54.900 -22.269 5.491 1.00 32.03 O +ATOM 566 CB SER L 77 56.347 -24.830 5.870 1.00 33.93 C +ATOM 567 OG SER L 77 57.451 -25.085 6.716 1.00 44.04 O +ATOM 568 N MET L 78 55.142 -22.158 7.725 1.00 30.67 N +ATOM 569 CA MET L 78 55.037 -20.710 7.822 1.00 28.79 C +ATOM 570 C MET L 78 56.109 -19.939 7.076 1.00 30.89 C +ATOM 571 O MET L 78 57.299 -20.183 7.261 1.00 31.04 O +ATOM 572 CB MET L 78 55.079 -20.289 9.291 1.00 28.88 C +ATOM 573 CG MET L 78 55.148 -18.788 9.506 1.00 27.57 C +ATOM 574 SD MET L 78 53.539 -18.035 9.302 1.00 32.67 S +ATOM 575 CE MET L 78 53.936 -16.294 9.670 1.00 36.99 C +ATOM 576 N GLU L 79 55.670 -18.997 6.244 1.00 30.93 N +ATOM 577 CA GLU L 79 56.560 -18.129 5.479 1.00 30.24 C +ATOM 578 C GLU L 79 56.107 -16.688 5.786 1.00 30.79 C +ATOM 579 O GLU L 79 54.944 -16.457 6.111 1.00 33.61 O +ATOM 580 CB GLU L 79 56.476 -18.457 3.973 1.00 27.75 C +ATOM 581 CG GLU L 79 57.279 -19.721 3.574 1.00 29.05 C +ATOM 582 CD GLU L 79 57.259 -20.059 2.074 1.00 30.76 C +ATOM 583 OE1 GLU L 79 57.384 -19.144 1.233 1.00 32.72 O +ATOM 584 OE2 GLU L 79 57.130 -21.257 1.735 1.00 30.11 O +ATOM 585 N ALA L 80 57.027 -15.732 5.698 1.00 30.47 N +ATOM 586 CA ALA L 80 56.762 -14.323 6.004 1.00 26.69 C +ATOM 587 C ALA L 80 55.541 -13.674 5.369 1.00 27.98 C +ATOM 588 O ALA L 80 54.870 -12.870 6.014 1.00 28.24 O +ATOM 589 CB ALA L 80 57.998 -13.485 5.676 1.00 29.04 C +ATOM 590 N GLU L 81 55.256 -13.993 4.111 1.00 29.20 N +ATOM 591 CA GLU L 81 54.106 -13.393 3.433 1.00 31.01 C +ATOM 592 C GLU L 81 52.749 -14.001 3.819 1.00 27.38 C +ATOM 593 O GLU L 81 51.704 -13.598 3.302 1.00 23.41 O +ATOM 594 CB GLU L 81 54.301 -13.460 1.916 1.00 38.76 C +ATOM 595 CG GLU L 81 55.343 -12.479 1.380 1.00 46.98 C +ATOM 596 CD GLU L 81 54.922 -11.018 1.497 1.00 51.92 C +ATOM 597 OE1 GLU L 81 53.992 -10.600 0.771 1.00 56.55 O +ATOM 598 OE2 GLU L 81 55.527 -10.282 2.309 1.00 55.81 O +ATOM 599 N ASP L 82 52.781 -14.966 4.732 1.00 27.69 N +ATOM 600 CA ASP L 82 51.574 -15.625 5.226 1.00 29.03 C +ATOM 601 C ASP L 82 50.979 -14.753 6.325 1.00 26.94 C +ATOM 602 O ASP L 82 49.798 -14.875 6.654 1.00 28.79 O +ATOM 603 CB ASP L 82 51.910 -16.997 5.820 1.00 26.47 C +ATOM 604 CG ASP L 82 52.323 -18.012 4.769 1.00 30.39 C +ATOM 605 OD1 ASP L 82 52.018 -17.813 3.567 1.00 27.26 O +ATOM 606 OD2 ASP L 82 52.958 -19.019 5.157 1.00 32.64 O +ATOM 607 N ALA L 83 51.825 -13.888 6.889 1.00 25.70 N +ATOM 608 CA ALA L 83 51.452 -12.955 7.952 1.00 24.38 C +ATOM 609 C ALA L 83 50.308 -12.049 7.495 1.00 22.86 C +ATOM 610 O ALA L 83 50.473 -11.228 6.587 1.00 24.46 O +ATOM 611 CB ALA L 83 52.664 -12.122 8.340 1.00 20.27 C +ATOM 612 N ALA L 84 49.148 -12.198 8.128 1.00 23.15 N +ATOM 613 CA ALA L 84 47.969 -11.422 7.759 1.00 21.33 C +ATOM 614 C ALA L 84 46.823 -11.759 8.691 1.00 24.17 C +ATOM 615 O ALA L 84 47.023 -12.395 9.719 1.00 27.98 O +ATOM 616 CB ALA L 84 47.569 -11.757 6.337 1.00 16.82 C +ATOM 617 N THR L 85 45.620 -11.316 8.330 1.00 27.37 N +ATOM 618 CA THR L 85 44.417 -11.625 9.100 1.00 23.60 C +ATOM 619 C THR L 85 43.543 -12.477 8.190 1.00 21.95 C +ATOM 620 O THR L 85 43.329 -12.134 7.027 1.00 19.90 O +ATOM 621 CB THR L 85 43.654 -10.359 9.513 1.00 22.68 C +ATOM 622 OG1 THR L 85 44.492 -9.566 10.355 1.00 23.84 O +ATOM 623 CG2 THR L 85 42.397 -10.719 10.291 1.00 20.12 C +ATOM 624 N TYR L 86 43.077 -13.606 8.721 1.00 23.73 N +ATOM 625 CA TYR L 86 42.239 -14.547 7.978 1.00 22.94 C +ATOM 626 C TYR L 86 40.844 -14.599 8.547 1.00 19.80 C +ATOM 627 O TYR L 86 40.670 -14.786 9.744 1.00 23.58 O +ATOM 628 CB TYR L 86 42.842 -15.955 8.025 1.00 20.38 C +ATOM 629 CG TYR L 86 44.189 -16.046 7.346 1.00 22.25 C +ATOM 630 CD1 TYR L 86 45.366 -15.759 8.041 1.00 23.38 C +ATOM 631 CD2 TYR L 86 44.285 -16.373 5.992 1.00 23.69 C +ATOM 632 CE1 TYR L 86 46.610 -15.788 7.400 1.00 27.93 C +ATOM 633 CE2 TYR L 86 45.520 -16.405 5.340 1.00 25.24 C +ATOM 634 CZ TYR L 86 46.677 -16.108 6.044 1.00 27.86 C +ATOM 635 OH TYR L 86 47.884 -16.092 5.386 1.00 25.33 O +ATOM 636 N TYR L 87 39.854 -14.438 7.679 1.00 21.07 N +ATOM 637 CA TYR L 87 38.450 -14.469 8.076 1.00 19.68 C +ATOM 638 C TYR L 87 37.716 -15.623 7.409 1.00 19.77 C +ATOM 639 O TYR L 87 37.891 -15.859 6.218 1.00 21.41 O +ATOM 640 CB TYR L 87 37.737 -13.189 7.645 1.00 19.26 C +ATOM 641 CG TYR L 87 38.254 -11.904 8.244 1.00 21.23 C +ATOM 642 CD1 TYR L 87 37.842 -11.489 9.512 1.00 24.45 C +ATOM 643 CD2 TYR L 87 39.125 -11.083 7.533 1.00 20.49 C +ATOM 644 CE1 TYR L 87 38.286 -10.284 10.062 1.00 23.74 C +ATOM 645 CE2 TYR L 87 39.575 -9.876 8.071 1.00 22.54 C +ATOM 646 CZ TYR L 87 39.149 -9.486 9.340 1.00 23.97 C +ATOM 647 OH TYR L 87 39.587 -8.302 9.883 1.00 23.15 O +ATOM 648 N CYS L 88 36.896 -16.340 8.171 1.00 20.99 N +ATOM 649 CA CYS L 88 36.089 -17.408 7.592 1.00 22.73 C +ATOM 650 C CYS L 88 34.737 -16.748 7.312 1.00 23.95 C +ATOM 651 O CYS L 88 34.354 -15.779 7.982 1.00 22.83 O +ATOM 652 CB CYS L 88 35.944 -18.605 8.544 1.00 22.18 C +ATOM 653 SG CYS L 88 35.181 -18.319 10.173 1.00 25.82 S +ATOM 654 N HIS L 89 34.023 -17.256 6.318 1.00 22.43 N +ATOM 655 CA HIS L 89 32.760 -16.650 5.923 1.00 22.69 C +ATOM 656 C HIS L 89 31.723 -17.687 5.533 1.00 23.36 C +ATOM 657 O HIS L 89 32.038 -18.657 4.849 1.00 24.81 O +ATOM 658 CB HIS L 89 33.041 -15.702 4.741 1.00 18.43 C +ATOM 659 CG HIS L 89 31.825 -15.269 3.986 1.00 17.32 C +ATOM 660 ND1 HIS L 89 30.772 -14.610 4.579 1.00 17.10 N +ATOM 661 CD2 HIS L 89 31.507 -15.386 2.675 1.00 20.05 C +ATOM 662 CE1 HIS L 89 29.855 -14.341 3.667 1.00 19.51 C +ATOM 663 NE2 HIS L 89 30.276 -14.802 2.503 1.00 20.21 N +ATOM 664 N GLN L 90 30.489 -17.499 5.989 1.00 23.58 N +ATOM 665 CA GLN L 90 29.423 -18.417 5.612 1.00 22.74 C +ATOM 666 C GLN L 90 28.469 -17.701 4.649 1.00 22.48 C +ATOM 667 O GLN L 90 27.936 -16.629 4.953 1.00 21.42 O +ATOM 668 CB GLN L 90 28.670 -18.948 6.853 1.00 21.51 C +ATOM 669 CG GLN L 90 27.836 -17.927 7.635 1.00 20.53 C +ATOM 670 CD GLN L 90 26.391 -17.880 7.178 1.00 22.69 C +ATOM 671 OE1 GLN L 90 25.973 -18.663 6.331 1.00 23.49 O +ATOM 672 NE2 GLN L 90 25.621 -16.952 7.732 1.00 25.78 N +ATOM 673 N TYR L 91 28.302 -18.278 3.462 1.00 21.80 N +ATOM 674 CA TYR L 91 27.406 -17.735 2.452 1.00 20.88 C +ATOM 675 C TYR L 91 26.311 -18.764 2.256 1.00 19.98 C +ATOM 676 O TYR L 91 25.814 -18.969 1.149 1.00 20.04 O +ATOM 677 CB TYR L 91 28.144 -17.514 1.140 1.00 21.20 C +ATOM 678 CG TYR L 91 27.339 -16.752 0.106 1.00 22.29 C +ATOM 679 CD1 TYR L 91 26.674 -15.565 0.434 1.00 23.40 C +ATOM 680 CD2 TYR L 91 27.254 -17.214 -1.204 1.00 19.56 C +ATOM 681 CE1 TYR L 91 25.950 -14.864 -0.528 1.00 22.47 C +ATOM 682 CE2 TYR L 91 26.539 -16.524 -2.163 1.00 20.14 C +ATOM 683 CZ TYR L 91 25.893 -15.358 -1.824 1.00 20.74 C +ATOM 684 OH TYR L 91 25.188 -14.704 -2.794 1.00 19.72 O +ATOM 685 N HIS L 92 25.944 -19.400 3.365 1.00 20.20 N +ATOM 686 CA HIS L 92 24.932 -20.449 3.396 1.00 18.74 C +ATOM 687 C HIS L 92 23.516 -19.929 3.619 1.00 17.34 C +ATOM 688 O HIS L 92 22.617 -20.240 2.852 1.00 22.13 O +ATOM 689 CB HIS L 92 25.300 -21.454 4.484 1.00 18.53 C +ATOM 690 CG HIS L 92 24.363 -22.615 4.580 1.00 19.37 C +ATOM 691 ND1 HIS L 92 24.344 -23.631 3.654 1.00 20.35 N +ATOM 692 CD2 HIS L 92 23.427 -22.927 5.503 1.00 18.23 C +ATOM 693 CE1 HIS L 92 23.436 -24.523 4.001 1.00 16.27 C +ATOM 694 NE2 HIS L 92 22.866 -24.120 5.121 1.00 19.94 N +ATOM 695 N ARG L 93 23.311 -19.152 4.672 1.00 20.13 N +ATOM 696 CA ARG L 93 21.990 -18.599 4.948 1.00 21.52 C +ATOM 697 C ARG L 93 22.159 -17.162 5.383 1.00 21.02 C +ATOM 698 O ARG L 93 23.062 -16.849 6.142 1.00 22.90 O +ATOM 699 CB ARG L 93 21.300 -19.369 6.070 1.00 26.28 C +ATOM 700 CG ARG L 93 20.740 -20.735 5.681 1.00 35.11 C +ATOM 701 CD ARG L 93 19.764 -20.656 4.510 1.00 39.88 C +ATOM 702 NE ARG L 93 19.255 -21.979 4.146 1.00 43.52 N +ATOM 703 CZ ARG L 93 19.762 -22.741 3.181 1.00 40.27 C +ATOM 704 NH1 ARG L 93 20.799 -22.317 2.470 1.00 43.20 N +ATOM 705 NH2 ARG L 93 19.241 -23.936 2.936 1.00 41.20 N +ATOM 706 N SER L 94 21.290 -16.285 4.906 1.00 24.17 N +ATOM 707 CA SER L 94 21.384 -14.883 5.281 1.00 28.48 C +ATOM 708 C SER L 94 20.696 -14.619 6.614 1.00 29.17 C +ATOM 709 O SER L 94 19.767 -15.331 7.010 1.00 29.68 O +ATOM 710 CB SER L 94 20.789 -13.988 4.193 1.00 31.26 C +ATOM 711 OG SER L 94 19.381 -13.933 4.286 1.00 39.46 O +ATOM 712 N PRO L 95 21.153 -13.587 7.330 1.00 27.20 N +ATOM 713 CA PRO L 95 22.256 -12.724 6.894 1.00 25.21 C +ATOM 714 C PRO L 95 23.590 -13.463 6.846 1.00 23.47 C +ATOM 715 O PRO L 95 23.938 -14.194 7.770 1.00 24.41 O +ATOM 716 CB PRO L 95 22.255 -11.607 7.926 1.00 28.62 C +ATOM 717 CG PRO L 95 21.696 -12.260 9.164 1.00 29.54 C +ATOM 718 CD PRO L 95 20.639 -13.202 8.655 1.00 28.25 C +ATOM 719 N TYR L 96 24.328 -13.281 5.762 1.00 21.97 N +ATOM 720 CA TYR L 96 25.614 -13.933 5.625 1.00 22.54 C +ATOM 721 C TYR L 96 26.551 -13.274 6.616 1.00 25.33 C +ATOM 722 O TYR L 96 26.554 -12.051 6.751 1.00 27.50 O +ATOM 723 CB TYR L 96 26.111 -13.778 4.197 1.00 21.52 C +ATOM 724 CG TYR L 96 25.035 -14.088 3.194 1.00 21.24 C +ATOM 725 CD1 TYR L 96 24.418 -15.334 3.171 1.00 18.33 C +ATOM 726 CD2 TYR L 96 24.605 -13.123 2.295 1.00 23.95 C +ATOM 727 CE1 TYR L 96 23.398 -15.611 2.278 1.00 21.57 C +ATOM 728 CE2 TYR L 96 23.590 -13.383 1.399 1.00 27.29 C +ATOM 729 CZ TYR L 96 22.989 -14.628 1.393 1.00 28.54 C +ATOM 730 OH TYR L 96 21.985 -14.877 0.486 1.00 31.31 O +ATOM 731 N THR L 97 27.350 -14.080 7.309 1.00 23.30 N +ATOM 732 CA THR L 97 28.244 -13.544 8.326 1.00 23.66 C +ATOM 733 C THR L 97 29.716 -13.898 8.147 1.00 24.40 C +ATOM 734 O THR L 97 30.068 -14.764 7.340 1.00 22.83 O +ATOM 735 CB THR L 97 27.801 -14.019 9.732 1.00 23.58 C +ATOM 736 OG1 THR L 97 27.841 -15.450 9.784 1.00 25.81 O +ATOM 737 CG2 THR L 97 26.377 -13.550 10.039 1.00 22.84 C +ATOM 738 N PHE L 98 30.568 -13.214 8.912 1.00 22.46 N +ATOM 739 CA PHE L 98 32.022 -13.435 8.889 1.00 22.53 C +ATOM 740 C PHE L 98 32.488 -13.704 10.329 1.00 22.05 C +ATOM 741 O PHE L 98 31.822 -13.313 11.290 1.00 23.60 O +ATOM 742 CB PHE L 98 32.768 -12.190 8.362 1.00 18.49 C +ATOM 743 CG PHE L 98 32.527 -11.882 6.905 1.00 20.02 C +ATOM 744 CD1 PHE L 98 31.359 -11.236 6.496 1.00 17.65 C +ATOM 745 CD2 PHE L 98 33.484 -12.210 5.942 1.00 18.99 C +ATOM 746 CE1 PHE L 98 31.148 -10.917 5.142 1.00 17.17 C +ATOM 747 CE2 PHE L 98 33.280 -11.895 4.591 1.00 17.29 C +ATOM 748 CZ PHE L 98 32.108 -11.246 4.195 1.00 14.74 C +ATOM 749 N GLY L 99 33.631 -14.370 10.475 1.00 23.19 N +ATOM 750 CA GLY L 99 34.170 -14.627 11.798 1.00 19.25 C +ATOM 751 C GLY L 99 34.936 -13.396 12.242 1.00 19.70 C +ATOM 752 O GLY L 99 35.159 -12.484 11.446 1.00 16.64 O +ATOM 753 N GLY L 100 35.329 -13.362 13.512 1.00 21.84 N +ATOM 754 CA GLY L 100 36.076 -12.229 14.040 1.00 23.91 C +ATOM 755 C GLY L 100 37.510 -12.133 13.530 1.00 26.69 C +ATOM 756 O GLY L 100 38.199 -11.140 13.783 1.00 25.08 O +ATOM 757 N GLY L 101 37.958 -13.172 12.823 1.00 26.49 N +ATOM 758 CA GLY L 101 39.293 -13.192 12.248 1.00 25.69 C +ATOM 759 C GLY L 101 40.429 -13.719 13.100 1.00 25.54 C +ATOM 760 O GLY L 101 40.348 -13.750 14.321 1.00 28.48 O +ATOM 761 N THR L 102 41.493 -14.159 12.437 1.00 27.21 N +ATOM 762 CA THR L 102 42.681 -14.653 13.121 1.00 25.34 C +ATOM 763 C THR L 102 43.852 -13.898 12.509 1.00 21.93 C +ATOM 764 O THR L 102 44.081 -13.959 11.308 1.00 20.67 O +ATOM 765 CB THR L 102 42.890 -16.183 12.925 1.00 25.31 C +ATOM 766 OG1 THR L 102 41.958 -16.902 13.739 1.00 27.22 O +ATOM 767 CG2 THR L 102 44.301 -16.594 13.341 1.00 26.16 C +ATOM 768 N LYS L 103 44.569 -13.164 13.347 1.00 22.28 N +ATOM 769 CA LYS L 103 45.711 -12.385 12.901 1.00 24.47 C +ATOM 770 C LYS L 103 46.958 -13.215 13.071 1.00 25.56 C +ATOM 771 O LYS L 103 47.308 -13.595 14.183 1.00 28.40 O +ATOM 772 CB LYS L 103 45.832 -11.099 13.724 1.00 26.21 C +ATOM 773 CG LYS L 103 46.962 -10.176 13.305 1.00 32.10 C +ATOM 774 CD LYS L 103 46.902 -8.861 14.073 1.00 34.94 C +ATOM 775 CE LYS L 103 47.878 -7.845 13.496 1.00 40.13 C +ATOM 776 NZ LYS L 103 47.708 -6.497 14.109 1.00 46.27 N +ATOM 777 N LEU L 104 47.621 -13.501 11.959 1.00 28.56 N +ATOM 778 CA LEU L 104 48.837 -14.292 11.971 1.00 28.89 C +ATOM 779 C LEU L 104 50.062 -13.374 11.938 1.00 30.81 C +ATOM 780 O LEU L 104 50.248 -12.603 11.000 1.00 31.63 O +ATOM 781 CB LEU L 104 48.836 -15.238 10.766 1.00 26.80 C +ATOM 782 CG LEU L 104 49.955 -16.270 10.614 1.00 24.13 C +ATOM 783 CD1 LEU L 104 49.966 -17.204 11.800 1.00 22.45 C +ATOM 784 CD2 LEU L 104 49.729 -17.049 9.335 1.00 24.73 C +ATOM 785 N GLU L 105 50.887 -13.459 12.975 1.00 32.08 N +ATOM 786 CA GLU L 105 52.094 -12.648 13.059 1.00 36.33 C +ATOM 787 C GLU L 105 53.345 -13.523 12.964 1.00 38.00 C +ATOM 788 O GLU L 105 53.267 -14.753 13.033 1.00 37.07 O +ATOM 789 CB GLU L 105 52.108 -11.866 14.372 1.00 41.34 C +ATOM 790 CG GLU L 105 50.728 -11.430 14.837 1.00 52.55 C +ATOM 791 CD GLU L 105 50.717 -10.048 15.481 1.00 57.28 C +ATOM 792 OE1 GLU L 105 51.061 -9.062 14.789 1.00 60.09 O +ATOM 793 OE2 GLU L 105 50.355 -9.949 16.678 1.00 61.38 O +ATOM 794 N ILE L 106 54.499 -12.881 12.806 1.00 38.13 N +ATOM 795 CA ILE L 106 55.766 -13.595 12.701 1.00 38.37 C +ATOM 796 C ILE L 106 56.496 -13.650 14.040 1.00 41.16 C +ATOM 797 O ILE L 106 56.684 -12.623 14.692 1.00 42.58 O +ATOM 798 CB ILE L 106 56.697 -12.914 11.684 1.00 36.55 C +ATOM 799 CG1 ILE L 106 56.240 -13.240 10.266 1.00 37.85 C +ATOM 800 CG2 ILE L 106 58.136 -13.369 11.897 1.00 36.53 C +ATOM 801 CD1 ILE L 106 56.502 -12.125 9.286 1.00 37.52 C +ATOM 802 N LYS L 107 56.909 -14.845 14.451 1.00 43.32 N +ATOM 803 CA LYS L 107 57.638 -14.980 15.704 1.00 47.79 C +ATOM 804 C LYS L 107 59.137 -14.828 15.474 1.00 48.83 C +ATOM 805 O LYS L 107 59.722 -15.474 14.597 1.00 47.30 O +ATOM 806 CB LYS L 107 57.361 -16.331 16.365 1.00 51.55 C +ATOM 807 CG LYS L 107 57.659 -16.335 17.858 1.00 56.28 C +ATOM 808 CD LYS L 107 58.169 -17.683 18.324 1.00 62.48 C +ATOM 809 CE LYS L 107 57.012 -18.609 18.678 1.00 68.59 C +ATOM 810 NZ LYS L 107 56.999 -19.857 17.848 1.00 72.39 N +ATOM 811 N ARG L 108 59.743 -13.957 16.274 1.00 50.21 N +ATOM 812 CA ARG L 108 61.171 -13.677 16.201 1.00 51.62 C +ATOM 813 C ARG L 108 61.776 -13.683 17.611 1.00 53.03 C +ATOM 814 O ARG L 108 61.064 -13.854 18.609 1.00 54.22 O +ATOM 815 CB ARG L 108 61.399 -12.307 15.551 1.00 50.01 C +ATOM 816 CG ARG L 108 60.603 -11.176 16.210 1.00 48.27 C +ATOM 817 CD ARG L 108 61.264 -9.814 16.045 1.00 46.82 C +ATOM 818 NE ARG L 108 62.549 -9.887 15.354 1.00 51.47 N +ATOM 819 CZ ARG L 108 63.681 -9.368 15.821 1.00 51.52 C +ATOM 820 NH1 ARG L 108 63.692 -8.736 16.986 1.00 52.39 N +ATOM 821 NH2 ARG L 108 64.803 -9.476 15.122 1.00 48.88 N +ATOM 822 N ALA L 109 63.089 -13.495 17.685 1.00 51.79 N +ATOM 823 CA ALA L 109 63.784 -13.467 18.963 1.00 50.01 C +ATOM 824 C ALA L 109 63.446 -12.170 19.677 1.00 49.61 C +ATOM 825 O ALA L 109 63.496 -11.098 19.080 1.00 49.71 O +ATOM 826 CB ALA L 109 65.280 -13.562 18.738 1.00 51.93 C +ATOM 827 N ASP L 110 63.102 -12.268 20.956 1.00 49.05 N +ATOM 828 CA ASP L 110 62.755 -11.086 21.738 1.00 49.42 C +ATOM 829 C ASP L 110 63.815 -9.993 21.582 1.00 45.97 C +ATOM 830 O ASP L 110 64.976 -10.281 21.301 1.00 46.07 O +ATOM 831 CB ASP L 110 62.607 -11.452 23.221 1.00 54.26 C +ATOM 832 CG ASP L 110 61.548 -12.519 23.464 1.00 58.03 C +ATOM 833 OD1 ASP L 110 60.843 -12.908 22.500 1.00 60.05 O +ATOM 834 OD2 ASP L 110 61.424 -12.967 24.627 1.00 58.68 O +ATOM 835 N ALA L 111 63.402 -8.742 21.765 1.00 44.18 N +ATOM 836 CA ALA L 111 64.299 -7.595 21.648 1.00 41.45 C +ATOM 837 C ALA L 111 63.752 -6.425 22.457 1.00 39.44 C +ATOM 838 O ALA L 111 62.614 -6.013 22.270 1.00 38.75 O +ATOM 839 CB ALA L 111 64.452 -7.199 20.188 1.00 42.96 C +ATOM 840 N ALA L 112 64.573 -5.888 23.353 1.00 43.13 N +ATOM 841 CA ALA L 112 64.161 -4.780 24.215 1.00 44.82 C +ATOM 842 C ALA L 112 63.850 -3.479 23.472 1.00 44.42 C +ATOM 843 O ALA L 112 64.412 -3.201 22.414 1.00 44.53 O +ATOM 844 CB ALA L 112 65.230 -4.532 25.275 1.00 46.16 C +ATOM 845 N PRO L 113 62.953 -2.655 24.040 1.00 45.31 N +ATOM 846 CA PRO L 113 62.534 -1.370 23.466 1.00 46.99 C +ATOM 847 C PRO L 113 63.522 -0.215 23.623 1.00 49.55 C +ATOM 848 O PRO L 113 64.025 0.050 24.719 1.00 52.22 O +ATOM 849 CB PRO L 113 61.212 -1.058 24.178 1.00 46.81 C +ATOM 850 CG PRO L 113 60.999 -2.170 25.188 1.00 45.89 C +ATOM 851 CD PRO L 113 62.272 -2.929 25.315 1.00 44.46 C +ATOM 852 N THR L 114 63.787 0.482 22.524 1.00 48.45 N +ATOM 853 CA THR L 114 64.686 1.627 22.564 1.00 47.96 C +ATOM 854 C THR L 114 63.827 2.864 22.835 1.00 46.13 C +ATOM 855 O THR L 114 63.168 3.394 21.938 1.00 46.95 O +ATOM 856 CB THR L 114 65.451 1.759 21.237 1.00 48.60 C +ATOM 857 OG1 THR L 114 65.983 0.476 20.874 1.00 47.20 O +ATOM 858 CG2 THR L 114 66.599 2.742 21.374 1.00 48.96 C +ATOM 859 N VAL L 115 63.834 3.300 24.093 1.00 43.05 N +ATOM 860 CA VAL L 115 63.045 4.440 24.546 1.00 39.85 C +ATOM 861 C VAL L 115 63.707 5.789 24.292 1.00 39.95 C +ATOM 862 O VAL L 115 64.929 5.894 24.260 1.00 40.74 O +ATOM 863 CB VAL L 115 62.727 4.306 26.060 1.00 38.77 C +ATOM 864 CG1 VAL L 115 61.657 5.298 26.474 1.00 40.23 C +ATOM 865 CG2 VAL L 115 62.260 2.896 26.362 1.00 41.76 C +ATOM 866 N SER L 116 62.874 6.812 24.108 1.00 41.48 N +ATOM 867 CA SER L 116 63.312 8.181 23.851 1.00 39.78 C +ATOM 868 C SER L 116 62.163 9.129 24.181 1.00 39.19 C +ATOM 869 O SER L 116 61.116 9.079 23.541 1.00 43.60 O +ATOM 870 CB SER L 116 63.689 8.361 22.371 1.00 42.06 C +ATOM 871 OG SER L 116 64.104 7.144 21.766 1.00 45.29 O +ATOM 872 N ILE L 117 62.338 9.988 25.177 1.00 37.50 N +ATOM 873 CA ILE L 117 61.275 10.932 25.520 1.00 39.22 C +ATOM 874 C ILE L 117 61.641 12.319 24.988 1.00 42.15 C +ATOM 875 O ILE L 117 62.817 12.616 24.765 1.00 44.84 O +ATOM 876 CB ILE L 117 61.035 11.006 27.052 1.00 34.62 C +ATOM 877 CG1 ILE L 117 59.922 12.012 27.363 1.00 35.33 C +ATOM 878 CG2 ILE L 117 62.303 11.397 27.755 1.00 39.83 C +ATOM 879 CD1 ILE L 117 59.599 12.157 28.836 1.00 35.02 C +ATOM 880 N PHE L 118 60.632 13.161 24.780 1.00 43.11 N +ATOM 881 CA PHE L 118 60.844 14.502 24.254 1.00 42.45 C +ATOM 882 C PHE L 118 59.905 15.507 24.913 1.00 44.43 C +ATOM 883 O PHE L 118 58.744 15.204 25.181 1.00 45.84 O +ATOM 884 CB PHE L 118 60.617 14.508 22.737 1.00 41.25 C +ATOM 885 CG PHE L 118 61.477 13.526 21.986 1.00 39.26 C +ATOM 886 CD1 PHE L 118 62.775 13.858 21.616 1.00 39.11 C +ATOM 887 CD2 PHE L 118 60.983 12.271 21.637 1.00 42.96 C +ATOM 888 CE1 PHE L 118 63.573 12.954 20.905 1.00 41.80 C +ATOM 889 CE2 PHE L 118 61.771 11.356 20.927 1.00 43.84 C +ATOM 890 CZ PHE L 118 63.067 11.699 20.559 1.00 45.24 C +ATOM 891 N PRO L 119 60.405 16.723 25.186 1.00 46.22 N +ATOM 892 CA PRO L 119 59.620 17.789 25.816 1.00 46.53 C +ATOM 893 C PRO L 119 58.929 18.684 24.789 1.00 47.96 C +ATOM 894 O PRO L 119 59.339 18.726 23.628 1.00 47.97 O +ATOM 895 CB PRO L 119 60.658 18.556 26.627 1.00 47.65 C +ATOM 896 CG PRO L 119 62.004 18.263 25.927 1.00 47.58 C +ATOM 897 CD PRO L 119 61.789 17.156 24.921 1.00 46.73 C +ATOM 898 N PRO L 120 57.869 19.408 25.203 1.00 48.22 N +ATOM 899 CA PRO L 120 57.136 20.300 24.293 1.00 50.98 C +ATOM 900 C PRO L 120 58.017 21.368 23.638 1.00 54.13 C +ATOM 901 O PRO L 120 58.841 21.990 24.309 1.00 56.48 O +ATOM 902 CB PRO L 120 56.048 20.924 25.178 1.00 48.77 C +ATOM 903 CG PRO L 120 56.453 20.647 26.572 1.00 48.31 C +ATOM 904 CD PRO L 120 57.283 19.402 26.554 1.00 48.14 C +ATOM 905 N SER L 121 57.840 21.566 22.330 1.00 54.92 N +ATOM 906 CA SER L 121 58.603 22.564 21.575 1.00 56.34 C +ATOM 907 C SER L 121 58.084 23.959 21.905 1.00 56.65 C +ATOM 908 O SER L 121 56.885 24.135 22.109 1.00 55.82 O +ATOM 909 CB SER L 121 58.457 22.317 20.069 1.00 57.09 C +ATOM 910 OG SER L 121 59.086 21.105 19.687 1.00 61.46 O +ATOM 911 N SER L 122 58.977 24.948 21.960 1.00 59.33 N +ATOM 912 CA SER L 122 58.562 26.319 22.263 1.00 60.23 C +ATOM 913 C SER L 122 57.520 26.707 21.240 1.00 59.90 C +ATOM 914 O SER L 122 56.591 27.466 21.529 1.00 60.69 O +ATOM 915 CB SER L 122 59.740 27.291 22.179 1.00 61.61 C +ATOM 916 OG SER L 122 59.646 28.270 23.198 1.00 59.54 O +ATOM 917 N GLU L 123 57.692 26.176 20.036 1.00 59.33 N +ATOM 918 CA GLU L 123 56.752 26.428 18.963 1.00 59.46 C +ATOM 919 C GLU L 123 55.388 26.012 19.502 1.00 58.46 C +ATOM 920 O GLU L 123 54.405 26.747 19.389 1.00 56.92 O +ATOM 921 CB GLU L 123 57.124 25.584 17.748 1.00 61.51 C +ATOM 922 CG GLU L 123 56.072 25.562 16.662 1.00 68.52 C +ATOM 923 CD GLU L 123 56.681 25.510 15.279 1.00 71.98 C +ATOM 924 OE1 GLU L 123 57.833 25.034 15.156 1.00 74.52 O +ATOM 925 OE2 GLU L 123 56.011 25.949 14.319 1.00 73.86 O +ATOM 926 N GLN L 124 55.353 24.835 20.120 1.00 58.38 N +ATOM 927 CA GLN L 124 54.125 24.302 20.691 1.00 57.67 C +ATOM 928 C GLN L 124 53.747 24.967 22.009 1.00 58.18 C +ATOM 929 O GLN L 124 52.567 25.151 22.307 1.00 56.11 O +ATOM 930 CB GLN L 124 54.258 22.800 20.914 1.00 54.59 C +ATOM 931 CG GLN L 124 53.025 22.195 21.549 1.00 50.09 C +ATOM 932 CD GLN L 124 53.219 20.750 21.922 1.00 47.36 C +ATOM 933 OE1 GLN L 124 54.342 20.253 21.931 1.00 47.90 O +ATOM 934 NE2 GLN L 124 52.124 20.063 22.238 1.00 45.80 N +ATOM 935 N LEU L 125 54.751 25.316 22.804 1.00 59.85 N +ATOM 936 CA LEU L 125 54.501 25.956 24.085 1.00 61.84 C +ATOM 937 C LEU L 125 53.897 27.345 23.892 1.00 65.92 C +ATOM 938 O LEU L 125 52.985 27.745 24.625 1.00 68.05 O +ATOM 939 CB LEU L 125 55.801 26.046 24.885 1.00 55.73 C +ATOM 940 CG LEU L 125 56.067 24.815 25.752 1.00 52.11 C +ATOM 941 CD1 LEU L 125 57.370 24.175 25.333 1.00 50.89 C +ATOM 942 CD2 LEU L 125 56.102 25.214 27.213 1.00 49.22 C +ATOM 943 N THR L 126 54.400 28.074 22.898 1.00 68.93 N +ATOM 944 CA THR L 126 53.907 29.418 22.613 1.00 71.54 C +ATOM 945 C THR L 126 52.498 29.374 22.016 1.00 71.97 C +ATOM 946 O THR L 126 51.736 30.341 22.109 1.00 72.34 O +ATOM 947 CB THR L 126 54.851 30.167 21.644 1.00 73.78 C +ATOM 948 OG1 THR L 126 56.215 29.958 22.040 1.00 75.61 O +ATOM 949 CG2 THR L 126 54.555 31.659 21.664 1.00 74.36 C +ATOM 950 N SER L 127 52.156 28.246 21.404 1.00 72.30 N +ATOM 951 CA SER L 127 50.833 28.079 20.818 1.00 70.36 C +ATOM 952 C SER L 127 49.801 27.969 21.944 1.00 68.19 C +ATOM 953 O SER L 127 48.615 28.217 21.735 1.00 69.05 O +ATOM 954 CB SER L 127 50.801 26.828 19.923 1.00 71.53 C +ATOM 955 OG SER L 127 50.779 25.628 20.682 1.00 71.14 O +ATOM 956 N GLY L 128 50.263 27.600 23.137 1.00 65.41 N +ATOM 957 CA GLY L 128 49.371 27.487 24.279 1.00 62.03 C +ATOM 958 C GLY L 128 49.109 26.079 24.788 1.00 59.53 C +ATOM 959 O GLY L 128 48.082 25.827 25.426 1.00 61.85 O +ATOM 960 N GLY L 129 50.029 25.160 24.517 1.00 55.16 N +ATOM 961 CA GLY L 129 49.847 23.793 24.965 1.00 49.25 C +ATOM 962 C GLY L 129 51.181 23.139 25.231 1.00 47.98 C +ATOM 963 O GLY L 129 52.226 23.741 24.990 1.00 50.20 O +ATOM 964 N ALA L 130 51.157 21.910 25.733 1.00 46.58 N +ATOM 965 CA ALA L 130 52.391 21.190 26.023 1.00 46.00 C +ATOM 966 C ALA L 130 52.180 19.689 25.913 1.00 45.90 C +ATOM 967 O ALA L 130 51.398 19.098 26.664 1.00 48.65 O +ATOM 968 CB ALA L 130 52.897 21.548 27.416 1.00 47.84 C +ATOM 969 N SER L 131 52.883 19.079 24.967 1.00 43.03 N +ATOM 970 CA SER L 131 52.786 17.648 24.742 1.00 41.26 C +ATOM 971 C SER L 131 54.136 17.014 24.973 1.00 40.69 C +ATOM 972 O SER L 131 55.144 17.470 24.432 1.00 41.19 O +ATOM 973 CB SER L 131 52.340 17.345 23.304 1.00 40.42 C +ATOM 974 OG SER L 131 50.983 17.695 23.084 1.00 38.15 O +ATOM 975 N VAL L 132 54.153 15.963 25.782 1.00 39.33 N +ATOM 976 CA VAL L 132 55.380 15.242 26.058 1.00 35.20 C +ATOM 977 C VAL L 132 55.229 13.941 25.299 1.00 34.43 C +ATOM 978 O VAL L 132 54.208 13.270 25.398 1.00 37.53 O +ATOM 979 CB VAL L 132 55.542 14.978 27.559 1.00 36.21 C +ATOM 980 CG1 VAL L 132 57.017 14.874 27.902 1.00 37.25 C +ATOM 981 CG2 VAL L 132 54.891 16.098 28.352 1.00 34.78 C +ATOM 982 N VAL L 133 56.243 13.591 24.531 1.00 32.62 N +ATOM 983 CA VAL L 133 56.181 12.398 23.714 1.00 34.00 C +ATOM 984 C VAL L 133 57.297 11.439 24.055 1.00 35.54 C +ATOM 985 O VAL L 133 58.378 11.859 24.435 1.00 37.83 O +ATOM 986 CB VAL L 133 56.277 12.791 22.228 1.00 33.35 C +ATOM 987 CG1 VAL L 133 56.236 11.558 21.339 1.00 32.02 C +ATOM 988 CG2 VAL L 133 55.157 13.762 21.893 1.00 28.03 C +ATOM 989 N CYS L 134 57.033 10.147 23.904 1.00 35.31 N +ATOM 990 CA CYS L 134 58.024 9.129 24.206 1.00 38.72 C +ATOM 991 C CYS L 134 57.891 7.981 23.212 1.00 38.62 C +ATOM 992 O CYS L 134 56.815 7.405 23.067 1.00 42.57 O +ATOM 993 CB CYS L 134 57.800 8.628 25.635 1.00 44.49 C +ATOM 994 SG CYS L 134 58.966 7.367 26.242 1.00 54.55 S +ATOM 995 N PHE L 135 58.974 7.654 22.523 1.00 35.93 N +ATOM 996 CA PHE L 135 58.947 6.575 21.555 1.00 36.25 C +ATOM 997 C PHE L 135 59.570 5.348 22.171 1.00 39.27 C +ATOM 998 O PHE L 135 60.496 5.453 22.962 1.00 42.74 O +ATOM 999 CB PHE L 135 59.739 6.944 20.302 1.00 37.67 C +ATOM 1000 CG PHE L 135 59.216 8.157 19.576 1.00 42.16 C +ATOM 1001 CD1 PHE L 135 57.870 8.257 19.223 1.00 40.84 C +ATOM 1002 CD2 PHE L 135 60.073 9.198 19.229 1.00 41.46 C +ATOM 1003 CE1 PHE L 135 57.391 9.375 18.537 1.00 37.19 C +ATOM 1004 CE2 PHE L 135 59.598 10.319 18.542 1.00 39.97 C +ATOM 1005 CZ PHE L 135 58.257 10.406 18.198 1.00 36.10 C +ATOM 1006 N LEU L 136 59.048 4.184 21.812 1.00 38.27 N +ATOM 1007 CA LEU L 136 59.564 2.912 22.299 1.00 37.62 C +ATOM 1008 C LEU L 136 59.624 2.098 21.029 1.00 36.86 C +ATOM 1009 O LEU L 136 58.642 1.491 20.619 1.00 35.76 O +ATOM 1010 CB LEU L 136 58.595 2.280 23.296 1.00 39.65 C +ATOM 1011 CG LEU L 136 58.362 3.011 24.619 1.00 39.18 C +ATOM 1012 CD1 LEU L 136 57.575 4.291 24.394 1.00 41.10 C +ATOM 1013 CD2 LEU L 136 57.598 2.100 25.548 1.00 42.47 C +ATOM 1014 N ASN L 137 60.790 2.083 20.409 1.00 38.32 N +ATOM 1015 CA ASN L 137 60.933 1.415 19.136 1.00 39.84 C +ATOM 1016 C ASN L 137 61.627 0.067 19.029 1.00 40.52 C +ATOM 1017 O ASN L 137 62.443 -0.320 19.859 1.00 42.14 O +ATOM 1018 CB ASN L 137 61.563 2.410 18.157 1.00 42.95 C +ATOM 1019 CG ASN L 137 60.866 3.769 18.184 1.00 42.49 C +ATOM 1020 OD1 ASN L 137 61.499 4.810 18.365 1.00 45.96 O +ATOM 1021 ND2 ASN L 137 59.552 3.757 18.013 1.00 34.94 N +ATOM 1022 N ASN L 138 61.257 -0.640 17.968 1.00 42.34 N +ATOM 1023 CA ASN L 138 61.783 -1.954 17.625 1.00 43.14 C +ATOM 1024 C ASN L 138 61.980 -2.935 18.769 1.00 43.13 C +ATOM 1025 O ASN L 138 63.093 -3.107 19.260 1.00 42.87 O +ATOM 1026 CB ASN L 138 63.083 -1.776 16.853 1.00 43.84 C +ATOM 1027 CG ASN L 138 62.914 -0.851 15.667 1.00 45.49 C +ATOM 1028 OD1 ASN L 138 62.946 0.376 15.811 1.00 40.17 O +ATOM 1029 ND2 ASN L 138 62.713 -1.433 14.484 1.00 45.17 N +ATOM 1030 N PHE L 139 60.883 -3.579 19.173 1.00 42.77 N +ATOM 1031 CA PHE L 139 60.891 -4.567 20.249 1.00 38.66 C +ATOM 1032 C PHE L 139 59.995 -5.754 19.920 1.00 40.34 C +ATOM 1033 O PHE L 139 59.224 -5.719 18.961 1.00 40.35 O +ATOM 1034 CB PHE L 139 60.443 -3.938 21.579 1.00 33.67 C +ATOM 1035 CG PHE L 139 59.095 -3.254 21.529 1.00 31.70 C +ATOM 1036 CD1 PHE L 139 57.915 -3.991 21.628 1.00 31.38 C +ATOM 1037 CD2 PHE L 139 59.008 -1.865 21.446 1.00 31.00 C +ATOM 1038 CE1 PHE L 139 56.666 -3.355 21.651 1.00 29.17 C +ATOM 1039 CE2 PHE L 139 57.771 -1.219 21.468 1.00 29.21 C +ATOM 1040 CZ PHE L 139 56.599 -1.964 21.571 1.00 31.65 C +ATOM 1041 N TYR L 140 60.109 -6.803 20.726 1.00 41.91 N +ATOM 1042 CA TYR L 140 59.313 -8.007 20.546 1.00 45.46 C +ATOM 1043 C TYR L 140 59.321 -8.845 21.821 1.00 46.99 C +ATOM 1044 O TYR L 140 60.357 -8.976 22.468 1.00 47.57 O +ATOM 1045 CB TYR L 140 59.873 -8.835 19.392 1.00 45.84 C +ATOM 1046 CG TYR L 140 58.967 -9.971 18.992 1.00 47.85 C +ATOM 1047 CD1 TYR L 140 57.961 -9.778 18.053 1.00 48.02 C +ATOM 1048 CD2 TYR L 140 59.101 -11.232 19.567 1.00 48.03 C +ATOM 1049 CE1 TYR L 140 57.110 -10.807 17.692 1.00 47.64 C +ATOM 1050 CE2 TYR L 140 58.253 -12.270 19.213 1.00 48.95 C +ATOM 1051 CZ TYR L 140 57.260 -12.048 18.272 1.00 47.30 C +ATOM 1052 OH TYR L 140 56.422 -13.066 17.893 1.00 46.82 O +ATOM 1053 N PRO L 141 58.171 -9.433 22.200 1.00 48.19 N +ATOM 1054 CA PRO L 141 56.857 -9.389 21.548 1.00 48.06 C +ATOM 1055 C PRO L 141 56.177 -8.030 21.604 1.00 46.44 C +ATOM 1056 O PRO L 141 56.792 -7.033 21.964 1.00 48.61 O +ATOM 1057 CB PRO L 141 56.049 -10.456 22.286 1.00 49.95 C +ATOM 1058 CG PRO L 141 56.683 -10.538 23.628 1.00 51.14 C +ATOM 1059 CD PRO L 141 58.151 -10.283 23.404 1.00 50.87 C +ATOM 1060 N LYS L 142 54.895 -8.013 21.256 1.00 46.70 N +ATOM 1061 CA LYS L 142 54.092 -6.796 21.223 1.00 46.49 C +ATOM 1062 C LYS L 142 53.673 -6.288 22.598 1.00 46.87 C +ATOM 1063 O LYS L 142 53.321 -5.121 22.749 1.00 45.27 O +ATOM 1064 CB LYS L 142 52.840 -7.050 20.376 1.00 47.49 C +ATOM 1065 CG LYS L 142 52.381 -5.886 19.503 1.00 48.60 C +ATOM 1066 CD LYS L 142 50.972 -6.112 18.928 1.00 50.63 C +ATOM 1067 CE LYS L 142 50.641 -7.602 18.730 1.00 52.67 C +ATOM 1068 NZ LYS L 142 49.307 -7.836 18.097 1.00 53.01 N +ATOM 1069 N ASP L 143 53.712 -7.167 23.596 1.00 50.60 N +ATOM 1070 CA ASP L 143 53.302 -6.828 24.964 1.00 52.44 C +ATOM 1071 C ASP L 143 54.175 -5.793 25.672 1.00 50.37 C +ATOM 1072 O ASP L 143 55.366 -6.016 25.881 1.00 47.34 O +ATOM 1073 CB ASP L 143 53.243 -8.096 25.832 1.00 57.80 C +ATOM 1074 CG ASP L 143 52.858 -9.347 25.038 1.00 62.76 C +ATOM 1075 OD1 ASP L 143 52.144 -9.229 24.016 1.00 62.96 O +ATOM 1076 OD2 ASP L 143 53.272 -10.458 25.445 1.00 64.43 O +ATOM 1077 N ILE L 144 53.564 -4.671 26.057 1.00 49.84 N +ATOM 1078 CA ILE L 144 54.272 -3.599 26.762 1.00 50.16 C +ATOM 1079 C ILE L 144 53.325 -2.594 27.436 1.00 51.70 C +ATOM 1080 O ILE L 144 52.230 -2.322 26.938 1.00 51.60 O +ATOM 1081 CB ILE L 144 55.215 -2.833 25.808 1.00 47.42 C +ATOM 1082 CG1 ILE L 144 56.193 -1.977 26.614 1.00 43.83 C +ATOM 1083 CG2 ILE L 144 54.408 -1.953 24.872 1.00 51.04 C +ATOM 1084 CD1 ILE L 144 57.198 -1.239 25.758 1.00 35.08 C +ATOM 1085 N ASN L 145 53.759 -2.050 28.573 1.00 55.05 N +ATOM 1086 CA ASN L 145 52.963 -1.078 29.330 1.00 55.22 C +ATOM 1087 C ASN L 145 53.741 0.230 29.516 1.00 51.31 C +ATOM 1088 O ASN L 145 54.948 0.221 29.783 1.00 49.79 O +ATOM 1089 CB ASN L 145 52.582 -1.663 30.696 1.00 60.67 C +ATOM 1090 CG ASN L 145 51.679 -0.738 31.504 1.00 66.71 C +ATOM 1091 OD1 ASN L 145 52.084 -0.202 32.542 1.00 68.97 O +ATOM 1092 ND2 ASN L 145 50.449 -0.551 31.033 1.00 69.70 N +ATOM 1093 N VAL L 146 53.044 1.351 29.382 1.00 46.68 N +ATOM 1094 CA VAL L 146 53.682 2.651 29.511 1.00 43.67 C +ATOM 1095 C VAL L 146 52.996 3.524 30.552 1.00 44.09 C +ATOM 1096 O VAL L 146 51.764 3.635 30.568 1.00 43.86 O +ATOM 1097 CB VAL L 146 53.683 3.380 28.146 1.00 41.19 C +ATOM 1098 CG1 VAL L 146 54.188 4.805 28.298 1.00 35.58 C +ATOM 1099 CG2 VAL L 146 54.547 2.610 27.168 1.00 39.19 C +ATOM 1100 N LYS L 147 53.808 4.142 31.412 1.00 45.20 N +ATOM 1101 CA LYS L 147 53.319 5.024 32.476 1.00 46.41 C +ATOM 1102 C LYS L 147 53.974 6.411 32.473 1.00 43.48 C +ATOM 1103 O LYS L 147 55.160 6.558 32.172 1.00 39.22 O +ATOM 1104 CB LYS L 147 53.551 4.381 33.849 1.00 51.94 C +ATOM 1105 CG LYS L 147 53.023 2.962 33.993 1.00 60.60 C +ATOM 1106 CD LYS L 147 52.365 2.750 35.359 1.00 65.74 C +ATOM 1107 CE LYS L 147 50.847 2.598 35.248 1.00 71.40 C +ATOM 1108 NZ LYS L 147 50.314 2.990 33.905 1.00 77.40 N +ATOM 1109 N TRP L 148 53.186 7.422 32.825 1.00 45.72 N +ATOM 1110 CA TRP L 148 53.662 8.800 32.893 1.00 49.57 C +ATOM 1111 C TRP L 148 53.623 9.247 34.353 1.00 52.58 C +ATOM 1112 O TRP L 148 52.571 9.221 35.001 1.00 50.17 O +ATOM 1113 CB TRP L 148 52.781 9.733 32.044 1.00 49.82 C +ATOM 1114 CG TRP L 148 53.048 9.651 30.558 1.00 51.61 C +ATOM 1115 CD1 TRP L 148 52.376 8.888 29.642 1.00 49.63 C +ATOM 1116 CD2 TRP L 148 54.085 10.324 29.833 1.00 52.09 C +ATOM 1117 NE1 TRP L 148 52.935 9.040 28.398 1.00 49.53 N +ATOM 1118 CE2 TRP L 148 53.985 9.915 28.485 1.00 50.32 C +ATOM 1119 CE3 TRP L 148 55.092 11.231 30.193 1.00 53.15 C +ATOM 1120 CZ2 TRP L 148 54.853 10.382 27.495 1.00 49.73 C +ATOM 1121 CZ3 TRP L 148 55.955 11.694 29.208 1.00 52.26 C +ATOM 1122 CH2 TRP L 148 55.828 11.267 27.873 1.00 51.73 C +ATOM 1123 N LYS L 149 54.785 9.646 34.862 1.00 57.61 N +ATOM 1124 CA LYS L 149 54.927 10.100 36.241 1.00 58.57 C +ATOM 1125 C LYS L 149 55.202 11.606 36.306 1.00 59.67 C +ATOM 1126 O LYS L 149 56.353 12.047 36.254 1.00 58.38 O +ATOM 1127 CB LYS L 149 56.065 9.330 36.927 1.00 58.67 C +ATOM 1128 CG LYS L 149 55.773 7.848 37.146 1.00 57.69 C +ATOM 1129 CD LYS L 149 57.036 7.066 37.461 1.00 55.44 C +ATOM 1130 CE LYS L 149 56.935 5.638 36.954 1.00 55.94 C +ATOM 1131 NZ LYS L 149 57.551 4.675 37.902 1.00 57.19 N +ATOM 1132 N ILE L 150 54.134 12.388 36.416 1.00 60.96 N +ATOM 1133 CA ILE L 150 54.248 13.836 36.504 1.00 64.64 C +ATOM 1134 C ILE L 150 54.441 14.246 37.960 1.00 68.12 C +ATOM 1135 O ILE L 150 53.470 14.410 38.706 1.00 67.03 O +ATOM 1136 CB ILE L 150 52.983 14.524 35.956 1.00 65.80 C +ATOM 1137 CG1 ILE L 150 52.929 14.351 34.439 1.00 66.26 C +ATOM 1138 CG2 ILE L 150 52.971 16.003 36.340 1.00 63.24 C +ATOM 1139 CD1 ILE L 150 52.005 15.324 33.750 1.00 69.78 C +ATOM 1140 N ASP L 151 55.704 14.406 38.352 1.00 72.12 N +ATOM 1141 CA ASP L 151 56.070 14.797 39.716 1.00 74.45 C +ATOM 1142 C ASP L 151 55.713 13.717 40.742 1.00 77.63 C +ATOM 1143 O ASP L 151 55.060 14.001 41.751 1.00 79.06 O +ATOM 1144 CB ASP L 151 55.383 16.117 40.101 1.00 70.31 C +ATOM 1145 CG ASP L 151 56.199 17.343 39.719 1.00 65.66 C +ATOM 1146 OD1 ASP L 151 57.404 17.220 39.410 1.00 65.11 O +ATOM 1147 OD2 ASP L 151 55.624 18.444 39.732 1.00 64.20 O +ATOM 1148 N GLY L 152 56.141 12.483 40.477 1.00 79.78 N +ATOM 1149 CA GLY L 152 55.868 11.380 41.387 1.00 80.79 C +ATOM 1150 C GLY L 152 54.412 10.960 41.484 1.00 81.03 C +ATOM 1151 O GLY L 152 54.085 10.005 42.187 1.00 79.87 O +ATOM 1152 N SER L 153 53.536 11.673 40.784 1.00 83.04 N +ATOM 1153 CA SER L 153 52.109 11.371 40.791 1.00 85.55 C +ATOM 1154 C SER L 153 51.658 10.966 39.389 1.00 87.68 C +ATOM 1155 O SER L 153 51.226 11.806 38.597 1.00 89.28 O +ATOM 1156 CB SER L 153 51.305 12.592 41.261 1.00 85.03 C +ATOM 1157 OG SER L 153 52.050 13.400 42.160 1.00 82.47 O +ATOM 1158 N GLU L 154 51.763 9.675 39.092 1.00 89.77 N +ATOM 1159 CA GLU L 154 51.381 9.148 37.791 1.00 92.38 C +ATOM 1160 C GLU L 154 50.147 9.821 37.214 1.00 93.50 C +ATOM 1161 O GLU L 154 49.108 9.941 37.872 1.00 92.53 O +ATOM 1162 CB GLU L 154 51.136 7.645 37.879 1.00 94.21 C +ATOM 1163 CG GLU L 154 52.106 6.819 37.061 1.00 96.26 C +ATOM 1164 CD GLU L 154 51.924 5.332 37.287 1.00 98.99 C +ATOM 1165 OE1 GLU L 154 50.766 4.862 37.240 1.00 99.00 O +ATOM 1166 OE2 GLU L 154 52.937 4.634 37.513 1.00 99.00 O +ATOM 1167 N ARG L 155 50.281 10.266 35.972 1.00 95.00 N +ATOM 1168 CA ARG L 155 49.194 10.918 35.270 1.00 96.50 C +ATOM 1169 C ARG L 155 48.582 9.874 34.364 1.00 96.71 C +ATOM 1170 O ARG L 155 49.263 9.310 33.510 1.00 96.52 O +ATOM 1171 CB ARG L 155 49.722 12.083 34.434 1.00 97.60 C +ATOM 1172 CG ARG L 155 49.425 13.440 35.029 1.00 99.00 C +ATOM 1173 CD ARG L 155 47.932 13.652 35.168 1.00 99.00 C +ATOM 1174 NE ARG L 155 47.547 14.985 34.724 1.00 99.00 N +ATOM 1175 CZ ARG L 155 47.661 16.079 35.470 1.00 99.00 C +ATOM 1176 NH1 ARG L 155 48.151 16.000 36.703 1.00 97.70 N +ATOM 1177 NH2 ARG L 155 47.289 17.255 34.982 1.00 99.00 N +ATOM 1178 N GLN L 156 47.299 9.603 34.557 1.00 97.27 N +ATOM 1179 CA GLN L 156 46.633 8.608 33.735 1.00 98.09 C +ATOM 1180 C GLN L 156 45.889 9.236 32.555 1.00 97.47 C +ATOM 1181 O GLN L 156 46.132 8.877 31.401 1.00 99.00 O +ATOM 1182 CB GLN L 156 45.669 7.778 34.592 1.00 98.98 C +ATOM 1183 CG GLN L 156 45.336 6.405 33.998 1.00 99.00 C +ATOM 1184 CD GLN L 156 46.339 5.311 34.380 1.00 99.00 C +ATOM 1185 OE1 GLN L 156 47.524 5.376 34.028 1.00 99.00 O +ATOM 1186 NE2 GLN L 156 45.859 4.294 35.099 1.00 99.00 N +ATOM 1187 N ASN L 157 44.996 10.178 32.838 1.00 94.27 N +ATOM 1188 CA ASN L 157 44.225 10.829 31.784 1.00 89.68 C +ATOM 1189 C ASN L 157 45.065 11.748 30.895 1.00 85.48 C +ATOM 1190 O ASN L 157 46.142 12.207 31.294 1.00 86.10 O +ATOM 1191 CB ASN L 157 43.053 11.613 32.393 1.00 92.17 C +ATOM 1192 CG ASN L 157 43.485 12.570 33.496 1.00 94.54 C +ATOM 1193 OD1 ASN L 157 44.305 12.219 34.349 1.00 94.83 O +ATOM 1194 ND2 ASN L 157 42.941 13.785 33.482 1.00 96.54 N +ATOM 1195 N GLY L 158 44.569 12.001 29.684 1.00 79.68 N +ATOM 1196 CA GLY L 158 45.269 12.867 28.746 1.00 72.06 C +ATOM 1197 C GLY L 158 46.347 12.192 27.912 1.00 65.98 C +ATOM 1198 O GLY L 158 46.977 12.823 27.063 1.00 63.12 O +ATOM 1199 N VAL L 159 46.560 10.904 28.154 1.00 61.33 N +ATOM 1200 CA VAL L 159 47.563 10.134 27.431 1.00 56.19 C +ATOM 1201 C VAL L 159 46.931 9.341 26.287 1.00 55.80 C +ATOM 1202 O VAL L 159 45.896 8.697 26.460 1.00 57.50 O +ATOM 1203 CB VAL L 159 48.289 9.158 28.382 1.00 53.13 C +ATOM 1204 CG1 VAL L 159 49.319 8.345 27.623 1.00 45.61 C +ATOM 1205 CG2 VAL L 159 48.946 9.936 29.510 1.00 51.65 C +ATOM 1206 N LEU L 160 47.556 9.402 25.116 1.00 53.27 N +ATOM 1207 CA LEU L 160 47.070 8.688 23.943 1.00 49.20 C +ATOM 1208 C LEU L 160 48.222 7.943 23.286 1.00 45.22 C +ATOM 1209 O LEU L 160 49.270 8.522 22.990 1.00 40.37 O +ATOM 1210 CB LEU L 160 46.448 9.667 22.957 1.00 57.69 C +ATOM 1211 CG LEU L 160 45.307 10.469 23.581 1.00 66.52 C +ATOM 1212 CD1 LEU L 160 44.804 11.516 22.594 1.00 72.05 C +ATOM 1213 CD2 LEU L 160 44.184 9.511 23.987 1.00 70.16 C +ATOM 1214 N ASN L 161 48.018 6.650 23.066 1.00 41.11 N +ATOM 1215 CA ASN L 161 49.039 5.811 22.467 1.00 37.23 C +ATOM 1216 C ASN L 161 48.693 5.376 21.051 1.00 35.70 C +ATOM 1217 O ASN L 161 47.549 5.514 20.601 1.00 31.08 O +ATOM 1218 CB ASN L 161 49.274 4.581 23.345 1.00 39.09 C +ATOM 1219 CG ASN L 161 49.280 4.914 24.823 1.00 37.65 C +ATOM 1220 OD1 ASN L 161 50.233 5.497 25.335 1.00 37.26 O +ATOM 1221 ND2 ASN L 161 48.212 4.546 25.516 1.00 40.18 N +ATOM 1222 N SER L 162 49.701 4.845 20.363 1.00 34.74 N +ATOM 1223 CA SER L 162 49.569 4.381 18.988 1.00 33.63 C +ATOM 1224 C SER L 162 50.653 3.352 18.735 1.00 33.70 C +ATOM 1225 O SER L 162 51.822 3.599 19.003 1.00 34.91 O +ATOM 1226 CB SER L 162 49.733 5.559 18.024 1.00 34.37 C +ATOM 1227 OG SER L 162 49.392 5.204 16.701 1.00 32.23 O +ATOM 1228 N TRP L 163 50.257 2.188 18.236 1.00 36.27 N +ATOM 1229 CA TRP L 163 51.195 1.113 17.949 1.00 36.90 C +ATOM 1230 C TRP L 163 51.263 0.937 16.456 1.00 38.92 C +ATOM 1231 O TRP L 163 50.301 1.226 15.752 1.00 38.41 O +ATOM 1232 CB TRP L 163 50.726 -0.213 18.552 1.00 40.17 C +ATOM 1233 CG TRP L 163 50.688 -0.264 20.054 1.00 41.83 C +ATOM 1234 CD1 TRP L 163 51.570 -0.908 20.874 1.00 40.84 C +ATOM 1235 CD2 TRP L 163 49.695 0.323 20.912 1.00 41.36 C +ATOM 1236 NE1 TRP L 163 51.189 -0.759 22.188 1.00 42.54 N +ATOM 1237 CE2 TRP L 163 50.043 -0.008 22.240 1.00 39.40 C +ATOM 1238 CE3 TRP L 163 48.544 1.097 20.684 1.00 43.49 C +ATOM 1239 CZ2 TRP L 163 49.285 0.407 23.341 1.00 40.42 C +ATOM 1240 CZ3 TRP L 163 47.785 1.512 21.781 1.00 44.87 C +ATOM 1241 CH2 TRP L 163 48.163 1.164 23.096 1.00 43.63 C +ATOM 1242 N THR L 164 52.405 0.462 15.977 1.00 40.55 N +ATOM 1243 CA THR L 164 52.588 0.220 14.557 1.00 42.53 C +ATOM 1244 C THR L 164 52.409 -1.267 14.317 1.00 44.88 C +ATOM 1245 O THR L 164 52.432 -2.066 15.254 1.00 43.59 O +ATOM 1246 CB THR L 164 54.000 0.586 14.081 1.00 41.26 C +ATOM 1247 OG1 THR L 164 54.961 -0.187 14.815 1.00 42.05 O +ATOM 1248 CG2 THR L 164 54.263 2.070 14.264 1.00 37.83 C +ATOM 1249 N ASP L 165 52.229 -1.634 13.057 1.00 48.62 N +ATOM 1250 CA ASP L 165 52.068 -3.033 12.704 1.00 51.29 C +ATOM 1251 C ASP L 165 53.446 -3.693 12.757 1.00 48.93 C +ATOM 1252 O ASP L 165 54.466 -3.004 12.784 1.00 50.61 O +ATOM 1253 CB ASP L 165 51.476 -3.150 11.297 1.00 55.79 C +ATOM 1254 CG ASP L 165 49.958 -3.197 11.306 1.00 59.87 C +ATOM 1255 OD1 ASP L 165 49.396 -4.110 11.951 1.00 63.69 O +ATOM 1256 OD2 ASP L 165 49.331 -2.322 10.667 1.00 61.35 O +ATOM 1257 N GLN L 166 53.474 -5.019 12.785 1.00 45.40 N +ATOM 1258 CA GLN L 166 54.733 -5.746 12.826 1.00 41.71 C +ATOM 1259 C GLN L 166 55.610 -5.261 11.689 1.00 41.96 C +ATOM 1260 O GLN L 166 55.210 -5.317 10.526 1.00 42.67 O +ATOM 1261 CB GLN L 166 54.486 -7.242 12.675 1.00 41.05 C +ATOM 1262 CG GLN L 166 55.731 -8.076 12.815 1.00 37.70 C +ATOM 1263 CD GLN L 166 55.434 -9.460 13.329 1.00 40.10 C +ATOM 1264 OE1 GLN L 166 54.596 -10.175 12.775 1.00 41.18 O +ATOM 1265 NE2 GLN L 166 56.121 -9.852 14.396 1.00 38.90 N +ATOM 1266 N ASP L 167 56.807 -4.790 12.025 1.00 42.56 N +ATOM 1267 CA ASP L 167 57.727 -4.275 11.019 1.00 43.31 C +ATOM 1268 C ASP L 167 58.109 -5.297 9.953 1.00 46.07 C +ATOM 1269 O ASP L 167 58.519 -6.418 10.252 1.00 46.32 O +ATOM 1270 CB ASP L 167 58.988 -3.723 11.675 1.00 40.57 C +ATOM 1271 CG ASP L 167 59.891 -3.030 10.684 1.00 38.60 C +ATOM 1272 OD1 ASP L 167 59.510 -1.960 10.174 1.00 38.74 O +ATOM 1273 OD2 ASP L 167 60.978 -3.561 10.408 1.00 38.36 O +ATOM 1274 N SER L 168 57.968 -4.873 8.703 1.00 47.61 N +ATOM 1275 CA SER L 168 58.262 -5.682 7.534 1.00 49.41 C +ATOM 1276 C SER L 168 59.693 -6.200 7.446 1.00 52.80 C +ATOM 1277 O SER L 168 59.927 -7.268 6.880 1.00 55.71 O +ATOM 1278 CB SER L 168 57.970 -4.871 6.279 1.00 49.92 C +ATOM 1279 OG SER L 168 58.921 -3.828 6.151 1.00 47.61 O +ATOM 1280 N LYS L 169 60.655 -5.451 7.978 1.00 54.30 N +ATOM 1281 CA LYS L 169 62.042 -5.898 7.901 1.00 55.19 C +ATOM 1282 C LYS L 169 62.504 -6.742 9.084 1.00 51.30 C +ATOM 1283 O LYS L 169 62.865 -7.904 8.909 1.00 51.46 O +ATOM 1284 CB LYS L 169 62.992 -4.702 7.704 1.00 62.35 C +ATOM 1285 CG LYS L 169 62.662 -3.448 8.505 1.00 71.09 C +ATOM 1286 CD LYS L 169 62.802 -2.175 7.669 1.00 77.16 C +ATOM 1287 CE LYS L 169 61.897 -1.060 8.194 1.00 80.76 C +ATOM 1288 NZ LYS L 169 62.664 0.115 8.708 1.00 82.07 N +ATOM 1289 N ASP L 170 62.480 -6.176 10.286 1.00 47.60 N +ATOM 1290 CA ASP L 170 62.926 -6.911 11.465 1.00 44.44 C +ATOM 1291 C ASP L 170 61.811 -7.614 12.232 1.00 42.43 C +ATOM 1292 O ASP L 170 62.069 -8.266 13.239 1.00 42.23 O +ATOM 1293 CB ASP L 170 63.677 -5.973 12.407 1.00 44.05 C +ATOM 1294 CG ASP L 170 62.839 -4.802 12.838 1.00 44.59 C +ATOM 1295 OD1 ASP L 170 61.643 -5.009 13.110 1.00 46.87 O +ATOM 1296 OD2 ASP L 170 63.369 -3.676 12.904 1.00 46.93 O +ATOM 1297 N SER L 171 60.576 -7.473 11.761 1.00 40.78 N +ATOM 1298 CA SER L 171 59.424 -8.107 12.400 1.00 36.40 C +ATOM 1299 C SER L 171 59.218 -7.691 13.857 1.00 36.49 C +ATOM 1300 O SER L 171 58.706 -8.459 14.669 1.00 33.18 O +ATOM 1301 CB SER L 171 59.556 -9.626 12.311 1.00 34.78 C +ATOM 1302 OG SER L 171 59.738 -10.040 10.968 1.00 37.14 O +ATOM 1303 N THR L 172 59.606 -6.463 14.179 1.00 36.66 N +ATOM 1304 CA THR L 172 59.463 -5.944 15.529 1.00 38.68 C +ATOM 1305 C THR L 172 58.267 -5.005 15.613 1.00 40.43 C +ATOM 1306 O THR L 172 57.606 -4.751 14.611 1.00 41.53 O +ATOM 1307 CB THR L 172 60.719 -5.165 15.951 1.00 41.57 C +ATOM 1308 OG1 THR L 172 60.889 -4.024 15.096 1.00 42.21 O +ATOM 1309 CG2 THR L 172 61.944 -6.056 15.861 1.00 40.71 C +ATOM 1310 N TYR L 173 57.990 -4.496 16.811 1.00 40.20 N +ATOM 1311 CA TYR L 173 56.877 -3.570 17.011 1.00 39.35 C +ATOM 1312 C TYR L 173 57.424 -2.253 17.521 1.00 36.22 C +ATOM 1313 O TYR L 173 58.589 -2.168 17.886 1.00 37.03 O +ATOM 1314 CB TYR L 173 55.869 -4.137 18.022 1.00 38.07 C +ATOM 1315 CG TYR L 173 55.169 -5.371 17.517 1.00 39.69 C +ATOM 1316 CD1 TYR L 173 55.734 -6.628 17.702 1.00 40.01 C +ATOM 1317 CD2 TYR L 173 53.985 -5.278 16.783 1.00 38.99 C +ATOM 1318 CE1 TYR L 173 55.147 -7.764 17.163 1.00 42.58 C +ATOM 1319 CE2 TYR L 173 53.388 -6.412 16.236 1.00 38.34 C +ATOM 1320 CZ TYR L 173 53.979 -7.651 16.428 1.00 40.81 C +ATOM 1321 OH TYR L 173 53.438 -8.785 15.865 1.00 42.03 O +ATOM 1322 N SER L 174 56.590 -1.224 17.524 1.00 33.83 N +ATOM 1323 CA SER L 174 57.001 0.083 18.023 1.00 32.04 C +ATOM 1324 C SER L 174 55.771 0.772 18.570 1.00 31.35 C +ATOM 1325 O SER L 174 54.649 0.467 18.164 1.00 32.52 O +ATOM 1326 CB SER L 174 57.634 0.922 16.912 1.00 30.20 C +ATOM 1327 OG SER L 174 58.832 0.317 16.449 1.00 30.45 O +ATOM 1328 N MET L 175 55.974 1.689 19.505 1.00 32.65 N +ATOM 1329 CA MET L 175 54.856 2.394 20.106 1.00 31.91 C +ATOM 1330 C MET L 175 55.228 3.829 20.408 1.00 28.29 C +ATOM 1331 O MET L 175 56.398 4.162 20.569 1.00 28.44 O +ATOM 1332 CB MET L 175 54.423 1.679 21.390 1.00 35.46 C +ATOM 1333 CG MET L 175 53.364 2.408 22.196 1.00 39.32 C +ATOM 1334 SD MET L 175 53.307 1.793 23.885 1.00 45.87 S +ATOM 1335 CE MET L 175 51.835 2.585 24.481 1.00 41.48 C +ATOM 1336 N SER L 176 54.214 4.679 20.468 1.00 31.15 N +ATOM 1337 CA SER L 176 54.408 6.085 20.758 1.00 33.02 C +ATOM 1338 C SER L 176 53.362 6.536 21.765 1.00 35.28 C +ATOM 1339 O SER L 176 52.169 6.309 21.571 1.00 36.72 O +ATOM 1340 CB SER L 176 54.288 6.912 19.477 1.00 31.12 C +ATOM 1341 OG SER L 176 53.420 8.013 19.660 1.00 33.49 O +ATOM 1342 N SER L 177 53.818 7.160 22.847 1.00 36.72 N +ATOM 1343 CA SER L 177 52.918 7.658 23.883 1.00 37.42 C +ATOM 1344 C SER L 177 53.064 9.165 23.978 1.00 36.07 C +ATOM 1345 O SER L 177 54.177 9.686 23.995 1.00 38.03 O +ATOM 1346 CB SER L 177 53.245 7.027 25.236 1.00 39.63 C +ATOM 1347 OG SER L 177 52.243 7.347 26.183 1.00 39.53 O +ATOM 1348 N THR L 178 51.937 9.860 24.057 1.00 36.91 N +ATOM 1349 CA THR L 178 51.941 11.310 24.112 1.00 36.59 C +ATOM 1350 C THR L 178 51.106 11.886 25.247 1.00 37.80 C +ATOM 1351 O THR L 178 49.875 11.789 25.254 1.00 35.96 O +ATOM 1352 CB THR L 178 51.448 11.880 22.772 1.00 36.68 C +ATOM 1353 OG1 THR L 178 52.288 11.382 21.723 1.00 37.26 O +ATOM 1354 CG2 THR L 178 51.475 13.403 22.776 1.00 33.59 C +ATOM 1355 N LEU L 179 51.801 12.494 26.204 1.00 40.50 N +ATOM 1356 CA LEU L 179 51.175 13.111 27.364 1.00 41.93 C +ATOM 1357 C LEU L 179 50.923 14.562 26.996 1.00 44.95 C +ATOM 1358 O LEU L 179 51.861 15.314 26.742 1.00 48.72 O +ATOM 1359 CB LEU L 179 52.118 13.020 28.570 1.00 40.29 C +ATOM 1360 CG LEU L 179 51.840 13.909 29.789 1.00 40.23 C +ATOM 1361 CD1 LEU L 179 50.393 13.757 30.239 1.00 38.00 C +ATOM 1362 CD2 LEU L 179 52.799 13.528 30.909 1.00 38.35 C +ATOM 1363 N THR L 180 49.658 14.957 26.959 1.00 46.31 N +ATOM 1364 CA THR L 180 49.319 16.320 26.587 1.00 51.07 C +ATOM 1365 C THR L 180 48.654 17.111 27.710 1.00 53.47 C +ATOM 1366 O THR L 180 47.486 16.889 28.033 1.00 54.47 O +ATOM 1367 CB THR L 180 48.386 16.339 25.341 1.00 52.29 C +ATOM 1368 OG1 THR L 180 47.151 15.680 25.651 1.00 56.83 O +ATOM 1369 CG2 THR L 180 49.043 15.623 24.162 1.00 50.15 C +ATOM 1370 N LEU L 181 49.404 18.035 28.303 1.00 54.16 N +ATOM 1371 CA LEU L 181 48.878 18.880 29.370 1.00 54.32 C +ATOM 1372 C LEU L 181 48.692 20.254 28.761 1.00 55.97 C +ATOM 1373 O LEU L 181 48.926 20.437 27.570 1.00 57.00 O +ATOM 1374 CB LEU L 181 49.873 18.967 30.525 1.00 52.43 C +ATOM 1375 CG LEU L 181 50.623 17.682 30.862 1.00 48.73 C +ATOM 1376 CD1 LEU L 181 52.051 17.986 31.276 1.00 45.22 C +ATOM 1377 CD2 LEU L 181 49.877 16.976 31.968 1.00 49.99 C +ATOM 1378 N THR L 182 48.280 21.224 29.565 1.00 58.71 N +ATOM 1379 CA THR L 182 48.104 22.571 29.044 1.00 61.29 C +ATOM 1380 C THR L 182 49.387 23.377 29.194 1.00 62.99 C +ATOM 1381 O THR L 182 50.427 22.860 29.608 1.00 62.21 O +ATOM 1382 CB THR L 182 46.973 23.327 29.759 1.00 60.68 C +ATOM 1383 OG1 THR L 182 47.407 23.709 31.069 1.00 62.90 O +ATOM 1384 CG2 THR L 182 45.734 22.459 29.862 1.00 62.11 C +ATOM 1385 N LYS L 183 49.296 24.654 28.848 1.00 66.39 N +ATOM 1386 CA LYS L 183 50.423 25.570 28.916 1.00 68.28 C +ATOM 1387 C LYS L 183 51.080 25.535 30.285 1.00 67.74 C +ATOM 1388 O LYS L 183 52.216 25.082 30.439 1.00 65.68 O +ATOM 1389 CB LYS L 183 49.941 26.992 28.618 1.00 74.15 C +ATOM 1390 CG LYS L 183 48.480 27.069 28.158 1.00 81.22 C +ATOM 1391 CD LYS L 183 47.603 27.834 29.144 1.00 87.13 C +ATOM 1392 CE LYS L 183 46.275 27.120 29.386 1.00 89.26 C +ATOM 1393 NZ LYS L 183 45.285 27.989 30.090 1.00 93.28 N +ATOM 1394 N ASP L 184 50.337 26.013 31.275 1.00 68.39 N +ATOM 1395 CA ASP L 184 50.803 26.090 32.653 1.00 69.76 C +ATOM 1396 C ASP L 184 51.079 24.742 33.297 1.00 69.83 C +ATOM 1397 O ASP L 184 52.182 24.502 33.799 1.00 69.20 O +ATOM 1398 CB ASP L 184 49.781 26.860 33.485 1.00 69.88 C +ATOM 1399 CG ASP L 184 49.303 28.116 32.786 1.00 70.16 C +ATOM 1400 OD1 ASP L 184 50.160 28.930 32.367 1.00 68.86 O +ATOM 1401 OD2 ASP L 184 48.074 28.285 32.649 1.00 70.57 O +ATOM 1402 N GLU L 185 50.070 23.874 33.285 1.00 68.59 N +ATOM 1403 CA GLU L 185 50.177 22.540 33.862 1.00 67.32 C +ATOM 1404 C GLU L 185 51.559 21.925 33.671 1.00 64.79 C +ATOM 1405 O GLU L 185 52.075 21.256 34.566 1.00 64.66 O +ATOM 1406 CB GLU L 185 49.144 21.608 33.228 1.00 70.35 C +ATOM 1407 CG GLU L 185 47.698 22.036 33.409 1.00 74.80 C +ATOM 1408 CD GLU L 185 46.729 20.884 33.192 1.00 76.12 C +ATOM 1409 OE1 GLU L 185 46.872 19.856 33.886 1.00 76.62 O +ATOM 1410 OE2 GLU L 185 45.830 21.001 32.331 1.00 74.40 O +ATOM 1411 N TYR L 186 52.149 22.159 32.502 1.00 61.55 N +ATOM 1412 CA TYR L 186 53.456 21.606 32.167 1.00 57.33 C +ATOM 1413 C TYR L 186 54.677 22.240 32.840 1.00 58.81 C +ATOM 1414 O TYR L 186 55.573 21.535 33.308 1.00 58.02 O +ATOM 1415 CB TYR L 186 53.670 21.651 30.661 1.00 50.64 C +ATOM 1416 CG TYR L 186 55.100 21.371 30.317 1.00 46.07 C +ATOM 1417 CD1 TYR L 186 55.582 20.068 30.303 1.00 46.13 C +ATOM 1418 CD2 TYR L 186 55.997 22.409 30.081 1.00 45.09 C +ATOM 1419 CE1 TYR L 186 56.921 19.801 30.066 1.00 44.75 C +ATOM 1420 CE2 TYR L 186 57.340 22.151 29.843 1.00 43.72 C +ATOM 1421 CZ TYR L 186 57.792 20.844 29.839 1.00 43.39 C +ATOM 1422 OH TYR L 186 59.114 20.571 29.599 1.00 48.91 O +ATOM 1423 N GLU L 187 54.740 23.565 32.844 1.00 60.23 N +ATOM 1424 CA GLU L 187 55.867 24.255 33.459 1.00 59.15 C +ATOM 1425 C GLU L 187 55.653 24.298 34.967 1.00 60.55 C +ATOM 1426 O GLU L 187 56.604 24.471 35.731 1.00 58.90 O +ATOM 1427 CB GLU L 187 55.981 25.673 32.906 1.00 58.07 C +ATOM 1428 CG GLU L 187 54.643 26.309 32.572 1.00 56.22 C +ATOM 1429 CD GLU L 187 54.786 27.474 31.621 1.00 56.31 C +ATOM 1430 OE1 GLU L 187 55.720 27.443 30.793 1.00 56.51 O +ATOM 1431 OE2 GLU L 187 53.969 28.419 31.703 1.00 56.03 O +ATOM 1432 N ARG L 188 54.393 24.133 35.376 1.00 60.43 N +ATOM 1433 CA ARG L 188 54.002 24.132 36.785 1.00 59.16 C +ATOM 1434 C ARG L 188 54.529 22.888 37.512 1.00 58.73 C +ATOM 1435 O ARG L 188 54.351 22.737 38.720 1.00 61.39 O +ATOM 1436 CB ARG L 188 52.478 24.201 36.905 1.00 57.24 C +ATOM 1437 CG ARG L 188 51.950 23.885 38.285 1.00 59.00 C +ATOM 1438 CD ARG L 188 50.682 24.642 38.569 1.00 65.37 C +ATOM 1439 NE ARG L 188 49.500 23.802 38.435 1.00 72.15 N +ATOM 1440 CZ ARG L 188 48.342 24.227 37.941 1.00 78.13 C +ATOM 1441 NH1 ARG L 188 48.215 25.484 37.532 1.00 80.20 N +ATOM 1442 NH2 ARG L 188 47.311 23.397 37.856 1.00 81.80 N +ATOM 1443 N HIS L 189 55.169 22.000 36.760 1.00 57.45 N +ATOM 1444 CA HIS L 189 55.768 20.776 37.294 1.00 58.92 C +ATOM 1445 C HIS L 189 57.157 20.776 36.657 1.00 59.86 C +ATOM 1446 O HIS L 189 57.435 21.616 35.802 1.00 63.90 O +ATOM 1447 CB HIS L 189 54.987 19.522 36.843 1.00 58.81 C +ATOM 1448 CG HIS L 189 53.600 19.418 37.409 1.00 57.03 C +ATOM 1449 ND1 HIS L 189 52.470 19.711 36.673 1.00 58.55 N +ATOM 1450 CD2 HIS L 189 53.159 19.027 38.629 1.00 57.93 C +ATOM 1451 CE1 HIS L 189 51.395 19.507 37.414 1.00 57.73 C +ATOM 1452 NE2 HIS L 189 51.786 19.091 38.606 1.00 58.76 N +ATOM 1453 N ASN L 190 58.036 19.863 37.051 1.00 59.51 N +ATOM 1454 CA ASN L 190 59.361 19.852 36.440 1.00 63.52 C +ATOM 1455 C ASN L 190 59.971 18.462 36.341 1.00 62.97 C +ATOM 1456 O ASN L 190 61.089 18.301 35.848 1.00 63.36 O +ATOM 1457 CB ASN L 190 60.316 20.803 37.186 1.00 69.20 C +ATOM 1458 CG ASN L 190 60.316 20.586 38.691 1.00 72.90 C +ATOM 1459 OD1 ASN L 190 59.272 20.655 39.342 1.00 74.50 O +ATOM 1460 ND2 ASN L 190 61.494 20.325 39.251 1.00 74.52 N +ATOM 1461 N SER L 191 59.235 17.460 36.811 1.00 62.54 N +ATOM 1462 CA SER L 191 59.695 16.075 36.743 1.00 60.82 C +ATOM 1463 C SER L 191 58.775 15.320 35.789 1.00 58.84 C +ATOM 1464 O SER L 191 57.616 15.047 36.121 1.00 55.49 O +ATOM 1465 CB SER L 191 59.654 15.412 38.126 1.00 61.17 C +ATOM 1466 OG SER L 191 59.959 16.335 39.155 1.00 60.26 O +ATOM 1467 N TYR L 192 59.292 15.003 34.600 1.00 57.01 N +ATOM 1468 CA TYR L 192 58.524 14.278 33.586 1.00 53.81 C +ATOM 1469 C TYR L 192 59.223 12.972 33.207 1.00 54.05 C +ATOM 1470 O TYR L 192 60.335 12.975 32.675 1.00 51.60 O +ATOM 1471 CB TYR L 192 58.301 15.164 32.346 1.00 47.93 C +ATOM 1472 CG TYR L 192 57.243 16.232 32.568 1.00 41.30 C +ATOM 1473 CD1 TYR L 192 55.886 15.925 32.481 1.00 38.47 C +ATOM 1474 CD2 TYR L 192 57.598 17.525 32.959 1.00 36.99 C +ATOM 1475 CE1 TYR L 192 54.910 16.874 32.792 1.00 37.29 C +ATOM 1476 CE2 TYR L 192 56.629 18.477 33.272 1.00 30.23 C +ATOM 1477 CZ TYR L 192 55.292 18.144 33.193 1.00 33.95 C +ATOM 1478 OH TYR L 192 54.335 19.065 33.559 1.00 36.75 O +ATOM 1479 N THR L 193 58.549 11.858 33.491 1.00 56.59 N +ATOM 1480 CA THR L 193 59.083 10.523 33.227 1.00 58.20 C +ATOM 1481 C THR L 193 58.208 9.612 32.355 1.00 55.53 C +ATOM 1482 O THR L 193 56.975 9.658 32.402 1.00 54.42 O +ATOM 1483 CB THR L 193 59.350 9.779 34.555 1.00 60.83 C +ATOM 1484 OG1 THR L 193 59.807 10.711 35.544 1.00 63.78 O +ATOM 1485 CG2 THR L 193 60.394 8.690 34.355 1.00 60.56 C +ATOM 1486 N CYS L 194 58.877 8.778 31.567 1.00 52.61 N +ATOM 1487 CA CYS L 194 58.223 7.817 30.693 1.00 52.18 C +ATOM 1488 C CYS L 194 58.778 6.472 31.145 1.00 50.72 C +ATOM 1489 O CYS L 194 59.978 6.208 31.029 1.00 46.05 O +ATOM 1490 CB CYS L 194 58.586 8.092 29.215 1.00 54.95 C +ATOM 1491 SG CYS L 194 58.131 6.790 28.007 1.00 58.85 S +ATOM 1492 N GLU L 195 57.920 5.625 31.692 1.00 51.90 N +ATOM 1493 CA GLU L 195 58.400 4.331 32.134 1.00 58.07 C +ATOM 1494 C GLU L 195 57.811 3.184 31.341 1.00 56.43 C +ATOM 1495 O GLU L 195 56.590 2.986 31.299 1.00 55.78 O +ATOM 1496 CB GLU L 195 58.123 4.119 33.619 1.00 65.85 C +ATOM 1497 CG GLU L 195 58.880 2.924 34.180 1.00 74.47 C +ATOM 1498 CD GLU L 195 59.188 3.068 35.650 1.00 80.43 C +ATOM 1499 OE1 GLU L 195 59.327 4.221 36.117 1.00 82.24 O +ATOM 1500 OE2 GLU L 195 59.292 2.023 36.334 1.00 84.91 O +ATOM 1501 N ALA L 196 58.701 2.419 30.727 1.00 54.65 N +ATOM 1502 CA ALA L 196 58.298 1.287 29.918 1.00 55.88 C +ATOM 1503 C ALA L 196 58.718 -0.040 30.534 1.00 56.15 C +ATOM 1504 O ALA L 196 59.907 -0.294 30.747 1.00 55.56 O +ATOM 1505 CB ALA L 196 58.892 1.417 28.518 1.00 54.85 C +ATOM 1506 N THR L 197 57.735 -0.887 30.818 1.00 56.21 N +ATOM 1507 CA THR L 197 58.019 -2.200 31.376 1.00 55.83 C +ATOM 1508 C THR L 197 57.731 -3.239 30.298 1.00 53.13 C +ATOM 1509 O THR L 197 56.591 -3.401 29.856 1.00 50.77 O +ATOM 1510 CB THR L 197 57.167 -2.473 32.624 1.00 57.97 C +ATOM 1511 OG1 THR L 197 56.789 -1.223 33.225 1.00 59.02 O +ATOM 1512 CG2 THR L 197 57.964 -3.305 33.633 1.00 56.93 C +ATOM 1513 N HIS L 198 58.786 -3.921 29.868 1.00 52.29 N +ATOM 1514 CA HIS L 198 58.696 -4.931 28.823 1.00 55.22 C +ATOM 1515 C HIS L 198 59.265 -6.245 29.336 1.00 56.95 C +ATOM 1516 O HIS L 198 60.226 -6.256 30.107 1.00 56.61 O +ATOM 1517 CB HIS L 198 59.480 -4.467 27.584 1.00 54.25 C +ATOM 1518 CG HIS L 198 59.154 -5.223 26.331 1.00 54.16 C +ATOM 1519 ND1 HIS L 198 60.069 -6.031 25.688 1.00 53.93 N +ATOM 1520 CD2 HIS L 198 58.018 -5.284 25.594 1.00 52.40 C +ATOM 1521 CE1 HIS L 198 59.512 -6.558 24.612 1.00 49.70 C +ATOM 1522 NE2 HIS L 198 58.267 -6.121 24.532 1.00 52.46 N +ATOM 1523 N LYS L 199 58.669 -7.346 28.892 1.00 59.64 N +ATOM 1524 CA LYS L 199 59.082 -8.682 29.301 1.00 62.91 C +ATOM 1525 C LYS L 199 60.549 -9.020 29.026 1.00 63.47 C +ATOM 1526 O LYS L 199 61.050 -10.037 29.511 1.00 65.14 O +ATOM 1527 CB LYS L 199 58.170 -9.732 28.641 1.00 64.41 C +ATOM 1528 CG LYS L 199 58.736 -10.390 27.385 1.00 63.44 C +ATOM 1529 CD LYS L 199 59.262 -11.793 27.674 1.00 63.08 C +ATOM 1530 CE LYS L 199 58.286 -12.862 27.203 1.00 64.95 C +ATOM 1531 NZ LYS L 199 58.840 -13.663 26.078 1.00 66.49 N +ATOM 1532 N THR L 200 61.241 -8.178 28.260 1.00 63.08 N +ATOM 1533 CA THR L 200 62.645 -8.439 27.941 1.00 63.51 C +ATOM 1534 C THR L 200 63.553 -8.238 29.147 1.00 64.72 C +ATOM 1535 O THR L 200 64.713 -8.665 29.143 1.00 65.56 O +ATOM 1536 CB THR L 200 63.158 -7.535 26.800 1.00 63.17 C +ATOM 1537 OG1 THR L 200 62.796 -6.175 27.062 1.00 65.12 O +ATOM 1538 CG2 THR L 200 62.570 -7.966 25.477 1.00 64.07 C +ATOM 1539 N SER L 201 63.032 -7.580 30.178 1.00 63.94 N +ATOM 1540 CA SER L 201 63.812 -7.344 31.382 1.00 63.03 C +ATOM 1541 C SER L 201 62.943 -6.979 32.568 1.00 63.83 C +ATOM 1542 O SER L 201 61.988 -6.206 32.451 1.00 63.02 O +ATOM 1543 CB SER L 201 64.844 -6.238 31.150 1.00 61.40 C +ATOM 1544 OG SER L 201 65.723 -6.153 32.254 1.00 61.33 O +ATOM 1545 N THR L 202 63.292 -7.555 33.714 1.00 66.67 N +ATOM 1546 CA THR L 202 62.583 -7.311 34.963 1.00 66.73 C +ATOM 1547 C THR L 202 62.691 -5.825 35.289 1.00 66.79 C +ATOM 1548 O THR L 202 61.694 -5.153 35.574 1.00 65.37 O +ATOM 1549 CB THR L 202 63.212 -8.131 36.117 1.00 66.19 C +ATOM 1550 OG1 THR L 202 62.788 -7.594 37.377 1.00 66.46 O +ATOM 1551 CG2 THR L 202 64.736 -8.086 36.036 1.00 63.10 C +ATOM 1552 N SER L 203 63.920 -5.323 35.234 1.00 66.87 N +ATOM 1553 CA SER L 203 64.186 -3.925 35.516 1.00 65.34 C +ATOM 1554 C SER L 203 63.608 -3.053 34.411 1.00 62.64 C +ATOM 1555 O SER L 203 63.972 -3.188 33.237 1.00 62.23 O +ATOM 1556 CB SER L 203 65.700 -3.683 35.645 1.00 66.48 C +ATOM 1557 OG SER L 203 66.456 -4.809 35.224 1.00 65.62 O +ATOM 1558 N PRO L 204 62.686 -2.151 34.776 1.00 60.30 N +ATOM 1559 CA PRO L 204 62.048 -1.247 33.816 1.00 60.53 C +ATOM 1560 C PRO L 204 63.048 -0.307 33.140 1.00 61.29 C +ATOM 1561 O PRO L 204 64.179 -0.139 33.604 1.00 61.54 O +ATOM 1562 CB PRO L 204 61.022 -0.476 34.660 1.00 59.36 C +ATOM 1563 CG PRO L 204 60.889 -1.237 35.931 1.00 57.72 C +ATOM 1564 CD PRO L 204 62.193 -1.937 36.146 1.00 59.43 C +ATOM 1565 N ILE L 205 62.624 0.290 32.030 1.00 62.11 N +ATOM 1566 CA ILE L 205 63.460 1.236 31.305 1.00 60.92 C +ATOM 1567 C ILE L 205 62.837 2.600 31.537 1.00 60.21 C +ATOM 1568 O ILE L 205 61.654 2.815 31.261 1.00 58.61 O +ATOM 1569 CB ILE L 205 63.505 0.940 29.793 1.00 59.84 C +ATOM 1570 CG1 ILE L 205 64.434 -0.246 29.518 1.00 59.54 C +ATOM 1571 CG2 ILE L 205 64.024 2.154 29.048 1.00 62.82 C +ATOM 1572 CD1 ILE L 205 64.673 -0.517 28.047 1.00 52.57 C +ATOM 1573 N VAL L 206 63.640 3.519 32.057 1.00 61.98 N +ATOM 1574 CA VAL L 206 63.149 4.851 32.362 1.00 62.18 C +ATOM 1575 C VAL L 206 63.863 5.967 31.618 1.00 60.95 C +ATOM 1576 O VAL L 206 65.055 5.871 31.299 1.00 59.47 O +ATOM 1577 CB VAL L 206 63.250 5.125 33.874 1.00 62.53 C +ATOM 1578 CG1 VAL L 206 62.769 6.520 34.183 1.00 65.80 C +ATOM 1579 CG2 VAL L 206 62.415 4.116 34.636 1.00 66.81 C +ATOM 1580 N LYS L 207 63.104 7.027 31.352 1.00 59.36 N +ATOM 1581 CA LYS L 207 63.599 8.212 30.666 1.00 57.35 C +ATOM 1582 C LYS L 207 62.836 9.429 31.183 1.00 57.74 C +ATOM 1583 O LYS L 207 61.614 9.384 31.343 1.00 54.85 O +ATOM 1584 CB LYS L 207 63.398 8.076 29.158 1.00 55.32 C +ATOM 1585 CG LYS L 207 64.148 6.910 28.538 1.00 51.41 C +ATOM 1586 CD LYS L 207 65.587 7.266 28.245 1.00 44.98 C +ATOM 1587 CE LYS L 207 66.489 6.079 28.480 1.00 45.59 C +ATOM 1588 NZ LYS L 207 67.261 5.721 27.261 1.00 46.11 N +ATOM 1589 N SER L 208 63.562 10.513 31.445 1.00 60.80 N +ATOM 1590 CA SER L 208 62.949 11.735 31.952 1.00 61.93 C +ATOM 1591 C SER L 208 63.796 12.986 31.707 1.00 62.05 C +ATOM 1592 O SER L 208 64.901 12.914 31.164 1.00 58.57 O +ATOM 1593 CB SER L 208 62.676 11.588 33.449 1.00 62.48 C +ATOM 1594 OG SER L 208 63.602 10.692 34.038 1.00 64.16 O +ATOM 1595 N PHE L 209 63.250 14.132 32.111 1.00 63.11 N +ATOM 1596 CA PHE L 209 63.911 15.424 31.963 1.00 64.75 C +ATOM 1597 C PHE L 209 63.326 16.385 32.997 1.00 66.74 C +ATOM 1598 O PHE L 209 62.275 16.106 33.575 1.00 65.36 O +ATOM 1599 CB PHE L 209 63.684 15.971 30.550 1.00 64.74 C +ATOM 1600 CG PHE L 209 62.244 16.299 30.244 1.00 62.92 C +ATOM 1601 CD1 PHE L 209 61.692 17.518 30.636 1.00 61.20 C +ATOM 1602 CD2 PHE L 209 61.440 15.393 29.557 1.00 64.39 C +ATOM 1603 CE1 PHE L 209 60.362 17.831 30.352 1.00 60.25 C +ATOM 1604 CE2 PHE L 209 60.103 15.697 29.266 1.00 63.14 C +ATOM 1605 CZ PHE L 209 59.567 16.920 29.666 1.00 60.89 C +ATOM 1606 N ASN L 210 63.992 17.516 33.223 1.00 70.30 N +ATOM 1607 CA ASN L 210 63.512 18.490 34.204 1.00 73.79 C +ATOM 1608 C ASN L 210 63.058 19.839 33.633 1.00 75.71 C +ATOM 1609 O ASN L 210 63.345 20.169 32.482 1.00 76.62 O +ATOM 1610 CB ASN L 210 64.591 18.728 35.265 1.00 74.78 C +ATOM 1611 CG ASN L 210 64.374 17.890 36.511 1.00 76.05 C +ATOM 1612 OD1 ASN L 210 65.057 16.888 36.724 1.00 76.69 O +ATOM 1613 ND2 ASN L 210 63.416 18.294 37.340 1.00 75.01 N +ATOM 1614 N ARG L 211 62.344 20.608 34.456 1.00 78.00 N +ATOM 1615 CA ARG L 211 61.838 21.929 34.080 1.00 79.23 C +ATOM 1616 C ARG L 211 60.724 21.851 33.039 1.00 77.70 C +ATOM 1617 O ARG L 211 59.639 22.422 33.284 1.00 76.13 O +ATOM 1618 CB ARG L 211 62.982 22.807 33.548 1.00 82.12 C +ATOM 1619 CG ARG L 211 63.875 23.412 34.632 1.00 84.08 C +ATOM 1620 CD ARG L 211 65.262 22.786 34.634 1.00 87.56 C +ATOM 1621 NE ARG L 211 65.947 22.951 33.354 1.00 92.16 N +ATOM 1622 CZ ARG L 211 66.660 21.999 32.756 1.00 96.06 C +ATOM 1623 NH1 ARG L 211 66.786 20.805 33.321 1.00 99.00 N +ATOM 1624 NH2 ARG L 211 67.251 22.238 31.592 1.00 99.00 N +ATOM 1625 OXT ARG L 211 60.954 21.221 31.989 1.00 75.69 O +TER 1626 ARG L 211 +ATOM 1627 N GLU H 1 40.545 -7.360 -18.036 1.00 57.91 N +ATOM 1628 CA GLU H 1 40.539 -7.596 -16.563 1.00 57.15 C +ATOM 1629 C GLU H 1 39.145 -7.451 -15.971 1.00 52.54 C +ATOM 1630 O GLU H 1 38.543 -6.380 -16.029 1.00 54.86 O +ATOM 1631 CB GLU H 1 41.479 -6.610 -15.856 1.00 61.03 C +ATOM 1632 CG GLU H 1 42.116 -7.155 -14.584 1.00 69.30 C +ATOM 1633 CD GLU H 1 43.437 -7.862 -14.851 1.00 74.66 C +ATOM 1634 OE1 GLU H 1 43.455 -8.801 -15.676 1.00 77.74 O +ATOM 1635 OE2 GLU H 1 44.457 -7.479 -14.237 1.00 78.65 O +ATOM 1636 N VAL H 2 38.621 -8.535 -15.419 1.00 45.62 N +ATOM 1637 CA VAL H 2 37.325 -8.459 -14.787 1.00 39.22 C +ATOM 1638 C VAL H 2 37.599 -7.604 -13.558 1.00 39.25 C +ATOM 1639 O VAL H 2 38.585 -7.838 -12.850 1.00 38.59 O +ATOM 1640 CB VAL H 2 36.846 -9.839 -14.315 1.00 36.28 C +ATOM 1641 CG1 VAL H 2 35.446 -9.732 -13.757 1.00 34.11 C +ATOM 1642 CG2 VAL H 2 36.905 -10.836 -15.461 1.00 37.89 C +ATOM 1643 N GLN H 3 36.778 -6.590 -13.312 1.00 37.84 N +ATOM 1644 CA GLN H 3 36.991 -5.786 -12.116 1.00 34.97 C +ATOM 1645 C GLN H 3 35.837 -4.901 -11.705 1.00 30.46 C +ATOM 1646 O GLN H 3 35.020 -4.502 -12.522 1.00 30.67 O +ATOM 1647 CB GLN H 3 38.281 -4.968 -12.221 1.00 36.91 C +ATOM 1648 CG GLN H 3 38.284 -3.816 -13.186 1.00 48.70 C +ATOM 1649 CD GLN H 3 39.641 -3.114 -13.199 1.00 53.88 C +ATOM 1650 OE1 GLN H 3 40.494 -3.373 -12.345 1.00 57.00 O +ATOM 1651 NE2 GLN H 3 39.846 -2.225 -14.167 1.00 58.84 N +ATOM 1652 N LEU H 4 35.778 -4.632 -10.403 1.00 30.93 N +ATOM 1653 CA LEU H 4 34.738 -3.811 -9.809 1.00 28.08 C +ATOM 1654 C LEU H 4 35.318 -2.456 -9.416 1.00 26.42 C +ATOM 1655 O LEU H 4 36.234 -2.365 -8.605 1.00 27.46 O +ATOM 1656 CB LEU H 4 34.155 -4.520 -8.578 1.00 27.66 C +ATOM 1657 CG LEU H 4 33.331 -5.798 -8.784 1.00 25.89 C +ATOM 1658 CD1 LEU H 4 32.735 -6.286 -7.459 1.00 21.91 C +ATOM 1659 CD2 LEU H 4 32.222 -5.501 -9.772 1.00 25.18 C +ATOM 1660 N GLN H 5 34.775 -1.406 -10.013 1.00 28.21 N +ATOM 1661 CA GLN H 5 35.213 -0.039 -9.759 1.00 30.19 C +ATOM 1662 C GLN H 5 34.198 0.699 -8.890 1.00 27.60 C +ATOM 1663 O GLN H 5 33.025 0.812 -9.250 1.00 28.49 O +ATOM 1664 CB GLN H 5 35.374 0.694 -11.087 1.00 35.52 C +ATOM 1665 CG GLN H 5 36.346 1.841 -11.031 1.00 50.52 C +ATOM 1666 CD GLN H 5 37.777 1.363 -10.920 1.00 58.54 C +ATOM 1667 OE1 GLN H 5 38.539 1.834 -10.069 1.00 64.26 O +ATOM 1668 NE2 GLN H 5 38.153 0.416 -11.782 1.00 61.81 N +ATOM 1669 N GLN H 6 34.653 1.204 -7.747 1.00 27.73 N +ATOM 1670 CA GLN H 6 33.780 1.927 -6.823 1.00 25.15 C +ATOM 1671 C GLN H 6 34.039 3.424 -6.867 1.00 22.47 C +ATOM 1672 O GLN H 6 35.125 3.855 -7.234 1.00 20.33 O +ATOM 1673 CB GLN H 6 34.003 1.427 -5.402 1.00 26.07 C +ATOM 1674 CG GLN H 6 33.659 -0.033 -5.202 1.00 25.36 C +ATOM 1675 CD GLN H 6 33.772 -0.451 -3.759 1.00 25.47 C +ATOM 1676 OE1 GLN H 6 34.396 -1.464 -3.452 1.00 26.83 O +ATOM 1677 NE2 GLN H 6 33.168 0.328 -2.858 1.00 22.93 N +ATOM 1678 N SER H 7 33.036 4.211 -6.491 1.00 22.31 N +ATOM 1679 CA SER H 7 33.178 5.660 -6.486 1.00 21.46 C +ATOM 1680 C SER H 7 34.201 6.077 -5.437 1.00 24.16 C +ATOM 1681 O SER H 7 34.632 5.258 -4.614 1.00 26.43 O +ATOM 1682 CB SER H 7 31.828 6.338 -6.219 1.00 19.51 C +ATOM 1683 OG SER H 7 31.034 5.600 -5.309 1.00 21.51 O +ATOM 1684 N GLY H 8 34.579 7.353 -5.469 1.00 23.56 N +ATOM 1685 CA GLY H 8 35.576 7.878 -4.546 1.00 24.22 C +ATOM 1686 C GLY H 8 35.251 8.056 -3.070 1.00 21.90 C +ATOM 1687 O GLY H 8 34.112 7.886 -2.639 1.00 21.24 O +ATOM 1688 N ALA H 9 36.278 8.415 -2.301 1.00 23.35 N +ATOM 1689 CA ALA H 9 36.164 8.620 -0.856 1.00 25.30 C +ATOM 1690 C ALA H 9 35.087 9.626 -0.494 1.00 27.55 C +ATOM 1691 O ALA H 9 34.912 10.636 -1.173 1.00 28.93 O +ATOM 1692 CB ALA H 9 37.498 9.067 -0.290 1.00 26.36 C +ATOM 1693 N GLU H 10 34.363 9.346 0.584 1.00 27.50 N +ATOM 1694 CA GLU H 10 33.288 10.230 1.016 1.00 28.38 C +ATOM 1695 C GLU H 10 33.537 10.832 2.385 1.00 28.24 C +ATOM 1696 O GLU H 10 34.003 10.154 3.302 1.00 27.02 O +ATOM 1697 CB GLU H 10 31.949 9.479 1.056 1.00 25.34 C +ATOM 1698 CG GLU H 10 31.457 8.977 -0.290 1.00 24.51 C +ATOM 1699 CD GLU H 10 30.904 10.083 -1.164 1.00 25.08 C +ATOM 1700 OE1 GLU H 10 30.589 11.163 -0.628 1.00 27.81 O +ATOM 1701 OE2 GLU H 10 30.785 9.872 -2.389 1.00 25.78 O +ATOM 1702 N LEU H 11 33.233 12.116 2.506 1.00 26.94 N +ATOM 1703 CA LEU H 11 33.361 12.822 3.774 1.00 27.55 C +ATOM 1704 C LEU H 11 32.006 13.501 3.931 1.00 27.47 C +ATOM 1705 O LEU H 11 31.705 14.471 3.233 1.00 26.26 O +ATOM 1706 CB LEU H 11 34.487 13.862 3.727 1.00 28.79 C +ATOM 1707 CG LEU H 11 34.622 14.741 4.982 1.00 27.10 C +ATOM 1708 CD1 LEU H 11 34.768 13.879 6.215 1.00 25.93 C +ATOM 1709 CD2 LEU H 11 35.826 15.654 4.845 1.00 30.51 C +ATOM 1710 N VAL H 12 31.183 12.968 4.829 1.00 26.91 N +ATOM 1711 CA VAL H 12 29.846 13.498 5.036 1.00 28.13 C +ATOM 1712 C VAL H 12 29.602 13.898 6.472 1.00 28.38 C +ATOM 1713 O VAL H 12 30.254 13.394 7.378 1.00 27.96 O +ATOM 1714 CB VAL H 12 28.782 12.459 4.644 1.00 27.01 C +ATOM 1715 CG1 VAL H 12 27.421 13.119 4.555 1.00 31.62 C +ATOM 1716 CG2 VAL H 12 29.146 11.825 3.315 1.00 30.63 C +ATOM 1717 N LYS H 13 28.651 14.807 6.669 1.00 29.51 N +ATOM 1718 CA LYS H 13 28.290 15.279 8.003 1.00 28.69 C +ATOM 1719 C LYS H 13 27.150 14.409 8.521 1.00 25.40 C +ATOM 1720 O LYS H 13 26.334 13.926 7.743 1.00 26.20 O +ATOM 1721 CB LYS H 13 27.826 16.741 7.943 1.00 30.72 C +ATOM 1722 CG LYS H 13 28.909 17.741 7.549 1.00 32.53 C +ATOM 1723 CD LYS H 13 29.554 18.348 8.786 1.00 35.91 C +ATOM 1724 CE LYS H 13 29.646 19.868 8.709 1.00 39.43 C +ATOM 1725 NZ LYS H 13 29.519 20.501 10.064 1.00 40.31 N +ATOM 1726 N PRO H 14 27.082 14.187 9.842 1.00 26.15 N +ATOM 1727 CA PRO H 14 25.993 13.358 10.364 1.00 27.04 C +ATOM 1728 C PRO H 14 24.617 13.922 9.993 1.00 28.77 C +ATOM 1729 O PRO H 14 24.444 15.136 9.853 1.00 30.11 O +ATOM 1730 CB PRO H 14 26.239 13.350 11.873 1.00 24.06 C +ATOM 1731 CG PRO H 14 27.676 13.717 12.030 1.00 23.09 C +ATOM 1732 CD PRO H 14 27.978 14.656 10.914 1.00 25.35 C +ATOM 1733 N GLY H 15 23.640 13.038 9.830 1.00 29.18 N +ATOM 1734 CA GLY H 15 22.310 13.487 9.467 1.00 26.25 C +ATOM 1735 C GLY H 15 22.144 13.530 7.959 1.00 25.09 C +ATOM 1736 O GLY H 15 21.024 13.500 7.444 1.00 25.76 O +ATOM 1737 N ALA H 16 23.262 13.602 7.245 1.00 22.03 N +ATOM 1738 CA ALA H 16 23.223 13.629 5.792 1.00 24.78 C +ATOM 1739 C ALA H 16 23.137 12.203 5.249 1.00 25.06 C +ATOM 1740 O ALA H 16 23.129 11.233 6.012 1.00 25.69 O +ATOM 1741 CB ALA H 16 24.465 14.306 5.257 1.00 23.70 C +ATOM 1742 N SER H 17 23.058 12.077 3.928 1.00 25.27 N +ATOM 1743 CA SER H 17 23.001 10.762 3.305 1.00 24.63 C +ATOM 1744 C SER H 17 24.032 10.716 2.188 1.00 22.92 C +ATOM 1745 O SER H 17 24.547 11.748 1.764 1.00 21.56 O +ATOM 1746 CB SER H 17 21.590 10.467 2.778 1.00 23.04 C +ATOM 1747 OG SER H 17 21.316 11.151 1.578 1.00 26.93 O +ATOM 1748 N VAL H 18 24.363 9.521 1.724 1.00 21.58 N +ATOM 1749 CA VAL H 18 25.349 9.414 0.673 1.00 20.91 C +ATOM 1750 C VAL H 18 25.076 8.168 -0.156 1.00 22.85 C +ATOM 1751 O VAL H 18 24.653 7.153 0.385 1.00 23.11 O +ATOM 1752 CB VAL H 18 26.773 9.373 1.292 1.00 19.75 C +ATOM 1753 CG1 VAL H 18 27.097 7.973 1.804 1.00 21.86 C +ATOM 1754 CG2 VAL H 18 27.793 9.824 0.281 1.00 17.44 C +ATOM 1755 N LYS H 19 25.281 8.254 -1.471 1.00 21.89 N +ATOM 1756 CA LYS H 19 25.081 7.105 -2.357 1.00 22.23 C +ATOM 1757 C LYS H 19 26.403 6.676 -3.008 1.00 21.14 C +ATOM 1758 O LYS H 19 27.035 7.450 -3.722 1.00 21.51 O +ATOM 1759 CB LYS H 19 24.052 7.428 -3.442 1.00 22.65 C +ATOM 1760 CG LYS H 19 23.625 6.207 -4.260 1.00 21.24 C +ATOM 1761 CD LYS H 19 22.138 6.225 -4.536 1.00 22.10 C +ATOM 1762 CE LYS H 19 21.828 5.719 -5.917 1.00 22.34 C +ATOM 1763 NZ LYS H 19 20.379 5.831 -6.222 1.00 24.43 N +ATOM 1764 N LEU H 20 26.819 5.441 -2.739 1.00 22.39 N +ATOM 1765 CA LEU H 20 28.061 4.886 -3.284 1.00 22.30 C +ATOM 1766 C LEU H 20 27.776 4.039 -4.537 1.00 21.73 C +ATOM 1767 O LEU H 20 26.722 3.417 -4.643 1.00 22.51 O +ATOM 1768 CB LEU H 20 28.753 4.020 -2.223 1.00 18.62 C +ATOM 1769 CG LEU H 20 28.832 4.540 -0.781 1.00 21.10 C +ATOM 1770 CD1 LEU H 20 29.599 3.525 0.074 1.00 15.23 C +ATOM 1771 CD2 LEU H 20 29.509 5.906 -0.741 1.00 16.32 C +ATOM 1772 N SER H 21 28.705 4.003 -5.484 1.00 21.48 N +ATOM 1773 CA SER H 21 28.473 3.219 -6.689 1.00 21.39 C +ATOM 1774 C SER H 21 29.585 2.218 -7.009 1.00 21.10 C +ATOM 1775 O SER H 21 30.756 2.416 -6.656 1.00 21.29 O +ATOM 1776 CB SER H 21 28.205 4.152 -7.885 1.00 19.92 C +ATOM 1777 OG SER H 21 29.394 4.542 -8.541 1.00 27.51 O +ATOM 1778 N CYS H 22 29.194 1.136 -7.676 1.00 21.82 N +ATOM 1779 CA CYS H 22 30.113 0.061 -8.043 1.00 25.18 C +ATOM 1780 C CYS H 22 29.831 -0.404 -9.480 1.00 23.23 C +ATOM 1781 O CYS H 22 28.753 -0.919 -9.785 1.00 20.59 O +ATOM 1782 CB CYS H 22 29.942 -1.096 -7.042 1.00 30.47 C +ATOM 1783 SG CYS H 22 30.842 -2.641 -7.395 1.00 31.36 S +ATOM 1784 N THR H 23 30.808 -0.216 -10.361 1.00 22.96 N +ATOM 1785 CA THR H 23 30.644 -0.594 -11.757 1.00 24.94 C +ATOM 1786 C THR H 23 31.494 -1.786 -12.163 1.00 23.91 C +ATOM 1787 O THR H 23 32.718 -1.771 -12.029 1.00 26.00 O +ATOM 1788 CB THR H 23 30.977 0.587 -12.683 1.00 28.73 C +ATOM 1789 OG1 THR H 23 30.141 1.698 -12.341 1.00 31.04 O +ATOM 1790 CG2 THR H 23 30.746 0.207 -14.151 1.00 26.72 C +ATOM 1791 N ALA H 24 30.835 -2.815 -12.679 1.00 24.07 N +ATOM 1792 CA ALA H 24 31.520 -4.022 -13.102 1.00 23.39 C +ATOM 1793 C ALA H 24 31.946 -3.952 -14.556 1.00 25.64 C +ATOM 1794 O ALA H 24 31.247 -3.394 -15.396 1.00 30.83 O +ATOM 1795 CB ALA H 24 30.617 -5.219 -12.900 1.00 21.89 C +ATOM 1796 N SER H 25 33.109 -4.509 -14.849 1.00 24.05 N +ATOM 1797 CA SER H 25 33.595 -4.565 -16.213 1.00 22.86 C +ATOM 1798 C SER H 25 34.152 -5.974 -16.347 1.00 22.03 C +ATOM 1799 O SER H 25 34.843 -6.457 -15.459 1.00 24.16 O +ATOM 1800 CB SER H 25 34.673 -3.508 -16.450 1.00 23.31 C +ATOM 1801 OG SER H 25 35.851 -3.798 -15.735 1.00 34.10 O +ATOM 1802 N GLY H 26 33.815 -6.655 -17.432 1.00 21.37 N +ATOM 1803 CA GLY H 26 34.303 -8.009 -17.609 1.00 21.43 C +ATOM 1804 C GLY H 26 33.192 -9.039 -17.497 1.00 21.58 C +ATOM 1805 O GLY H 26 33.368 -10.202 -17.855 1.00 24.05 O +ATOM 1806 N PHE H 27 32.048 -8.611 -16.977 1.00 20.00 N +ATOM 1807 CA PHE H 27 30.891 -9.478 -16.834 1.00 18.52 C +ATOM 1808 C PHE H 27 29.681 -8.584 -16.632 1.00 18.48 C +ATOM 1809 O PHE H 27 29.834 -7.393 -16.366 1.00 23.56 O +ATOM 1810 CB PHE H 27 31.068 -10.446 -15.647 1.00 23.94 C +ATOM 1811 CG PHE H 27 31.051 -9.779 -14.279 1.00 26.98 C +ATOM 1812 CD1 PHE H 27 32.204 -9.197 -13.754 1.00 25.70 C +ATOM 1813 CD2 PHE H 27 29.881 -9.749 -13.512 1.00 25.67 C +ATOM 1814 CE1 PHE H 27 32.193 -8.594 -12.485 1.00 23.77 C +ATOM 1815 CE2 PHE H 27 29.863 -9.150 -12.247 1.00 20.49 C +ATOM 1816 CZ PHE H 27 31.021 -8.572 -11.738 1.00 18.12 C +ATOM 1817 N ASN H 28 28.487 -9.139 -16.799 1.00 20.18 N +ATOM 1818 CA ASN H 28 27.264 -8.373 -16.604 1.00 21.56 C +ATOM 1819 C ASN H 28 26.785 -8.669 -15.203 1.00 23.50 C +ATOM 1820 O ASN H 28 26.670 -9.829 -14.809 1.00 22.54 O +ATOM 1821 CB ASN H 28 26.162 -8.795 -17.575 1.00 25.03 C +ATOM 1822 CG ASN H 28 26.545 -8.610 -19.023 1.00 32.16 C +ATOM 1823 OD1 ASN H 28 27.325 -7.709 -19.352 1.00 36.62 O +ATOM 1824 ND2 ASN H 28 26.003 -9.455 -19.900 1.00 31.57 N +ATOM 1825 N ILE H 29 26.485 -7.625 -14.449 1.00 23.77 N +ATOM 1826 CA ILE H 29 26.019 -7.823 -13.092 1.00 24.43 C +ATOM 1827 C ILE H 29 24.667 -8.545 -13.064 1.00 23.88 C +ATOM 1828 O ILE H 29 24.272 -9.107 -12.050 1.00 25.56 O +ATOM 1829 CB ILE H 29 25.943 -6.472 -12.352 1.00 23.24 C +ATOM 1830 CG1 ILE H 29 24.946 -5.535 -13.049 1.00 24.54 C +ATOM 1831 CG2 ILE H 29 27.335 -5.847 -12.316 1.00 15.54 C +ATOM 1832 CD1 ILE H 29 24.367 -4.443 -12.133 1.00 21.05 C +ATOM 1833 N LYS H 30 23.970 -8.556 -14.190 1.00 23.07 N +ATOM 1834 CA LYS H 30 22.681 -9.223 -14.254 1.00 23.96 C +ATOM 1835 C LYS H 30 22.834 -10.749 -14.180 1.00 21.60 C +ATOM 1836 O LYS H 30 21.859 -11.466 -13.959 1.00 21.55 O +ATOM 1837 CB LYS H 30 21.960 -8.837 -15.551 1.00 28.35 C +ATOM 1838 CG LYS H 30 22.033 -9.911 -16.636 1.00 35.62 C +ATOM 1839 CD LYS H 30 21.671 -9.375 -18.009 1.00 43.20 C +ATOM 1840 CE LYS H 30 22.479 -10.078 -19.097 1.00 47.70 C +ATOM 1841 NZ LYS H 30 21.619 -10.785 -20.089 1.00 51.50 N +ATOM 1842 N ASP H 31 24.054 -11.244 -14.351 1.00 21.08 N +ATOM 1843 CA ASP H 31 24.284 -12.679 -14.333 1.00 22.51 C +ATOM 1844 C ASP H 31 24.807 -13.223 -13.020 1.00 24.57 C +ATOM 1845 O ASP H 31 25.142 -14.403 -12.925 1.00 28.84 O +ATOM 1846 CB ASP H 31 25.235 -13.069 -15.455 1.00 23.49 C +ATOM 1847 CG ASP H 31 24.706 -12.684 -16.825 1.00 27.30 C +ATOM 1848 OD1 ASP H 31 23.477 -12.814 -17.053 1.00 30.99 O +ATOM 1849 OD2 ASP H 31 25.523 -12.248 -17.668 1.00 25.87 O +ATOM 1850 N THR H 32 24.872 -12.368 -12.005 1.00 24.16 N +ATOM 1851 CA THR H 32 25.340 -12.788 -10.694 1.00 19.15 C +ATOM 1852 C THR H 32 24.556 -12.070 -9.599 1.00 17.81 C +ATOM 1853 O THR H 32 23.432 -11.611 -9.828 1.00 19.95 O +ATOM 1854 CB THR H 32 26.853 -12.519 -10.550 1.00 19.82 C +ATOM 1855 OG1 THR H 32 27.338 -13.134 -9.351 1.00 18.48 O +ATOM 1856 CG2 THR H 32 27.134 -11.024 -10.526 1.00 19.90 C +ATOM 1857 N TYR H 33 25.130 -12.012 -8.402 1.00 18.98 N +ATOM 1858 CA TYR H 33 24.511 -11.331 -7.268 1.00 16.13 C +ATOM 1859 C TYR H 33 25.484 -10.250 -6.842 1.00 19.05 C +ATOM 1860 O TYR H 33 26.694 -10.478 -6.821 1.00 19.46 O +ATOM 1861 CB TYR H 33 24.296 -12.290 -6.091 1.00 16.62 C +ATOM 1862 CG TYR H 33 23.121 -13.214 -6.257 1.00 19.14 C +ATOM 1863 CD1 TYR H 33 21.828 -12.781 -5.992 1.00 20.01 C +ATOM 1864 CD2 TYR H 33 23.295 -14.515 -6.726 1.00 19.47 C +ATOM 1865 CE1 TYR H 33 20.735 -13.616 -6.196 1.00 18.77 C +ATOM 1866 CE2 TYR H 33 22.207 -15.358 -6.933 1.00 19.45 C +ATOM 1867 CZ TYR H 33 20.934 -14.902 -6.667 1.00 20.71 C +ATOM 1868 OH TYR H 33 19.851 -15.730 -6.881 1.00 23.66 O +ATOM 1869 N MET H 34 24.969 -9.071 -6.510 1.00 20.34 N +ATOM 1870 CA MET H 34 25.839 -7.983 -6.071 1.00 20.84 C +ATOM 1871 C MET H 34 25.660 -7.660 -4.577 1.00 16.08 C +ATOM 1872 O MET H 34 24.548 -7.628 -4.060 1.00 16.59 O +ATOM 1873 CB MET H 34 25.598 -6.749 -6.944 1.00 21.27 C +ATOM 1874 CG MET H 34 26.021 -6.954 -8.401 1.00 19.46 C +ATOM 1875 SD MET H 34 27.784 -7.300 -8.632 1.00 22.19 S +ATOM 1876 CE MET H 34 28.463 -5.747 -8.189 1.00 20.08 C +ATOM 1877 N HIS H 35 26.761 -7.446 -3.872 1.00 16.65 N +ATOM 1878 CA HIS H 35 26.655 -7.154 -2.451 1.00 19.26 C +ATOM 1879 C HIS H 35 27.502 -5.983 -2.029 1.00 19.27 C +ATOM 1880 O HIS H 35 28.361 -5.508 -2.773 1.00 18.54 O +ATOM 1881 CB HIS H 35 27.087 -8.345 -1.575 1.00 17.26 C +ATOM 1882 CG HIS H 35 26.510 -9.665 -1.981 1.00 16.31 C +ATOM 1883 ND1 HIS H 35 25.452 -10.250 -1.319 1.00 19.00 N +ATOM 1884 CD2 HIS H 35 26.890 -10.547 -2.935 1.00 15.98 C +ATOM 1885 CE1 HIS H 35 25.207 -11.436 -1.845 1.00 19.84 C +ATOM 1886 NE2 HIS H 35 26.065 -11.639 -2.828 1.00 17.50 N +ATOM 1887 N TRP H 36 27.244 -5.545 -0.800 1.00 22.09 N +ATOM 1888 CA TRP H 36 27.979 -4.460 -0.173 1.00 21.87 C +ATOM 1889 C TRP H 36 28.394 -4.968 1.213 1.00 22.31 C +ATOM 1890 O TRP H 36 27.569 -5.500 1.966 1.00 22.30 O +ATOM 1891 CB TRP H 36 27.099 -3.210 -0.060 1.00 19.00 C +ATOM 1892 CG TRP H 36 27.015 -2.419 -1.350 1.00 19.71 C +ATOM 1893 CD1 TRP H 36 25.996 -2.441 -2.259 1.00 18.75 C +ATOM 1894 CD2 TRP H 36 27.991 -1.501 -1.866 1.00 21.05 C +ATOM 1895 NE1 TRP H 36 26.275 -1.598 -3.308 1.00 19.75 N +ATOM 1896 CE2 TRP H 36 27.493 -1.008 -3.093 1.00 20.85 C +ATOM 1897 CE3 TRP H 36 29.239 -1.048 -1.412 1.00 18.67 C +ATOM 1898 CZ2 TRP H 36 28.197 -0.084 -3.870 1.00 18.54 C +ATOM 1899 CZ3 TRP H 36 29.939 -0.128 -2.182 1.00 17.28 C +ATOM 1900 CH2 TRP H 36 29.415 0.343 -3.401 1.00 19.26 C +ATOM 1901 N VAL H 37 29.683 -4.853 1.522 1.00 23.04 N +ATOM 1902 CA VAL H 37 30.206 -5.291 2.813 1.00 22.68 C +ATOM 1903 C VAL H 37 30.848 -4.082 3.473 1.00 21.44 C +ATOM 1904 O VAL H 37 31.435 -3.235 2.796 1.00 21.05 O +ATOM 1905 CB VAL H 37 31.266 -6.411 2.663 1.00 21.22 C +ATOM 1906 CG1 VAL H 37 31.794 -6.806 4.023 1.00 15.80 C +ATOM 1907 CG2 VAL H 37 30.662 -7.616 1.970 1.00 19.75 C +ATOM 1908 N LYS H 38 30.733 -4.019 4.795 1.00 21.42 N +ATOM 1909 CA LYS H 38 31.263 -2.908 5.581 1.00 23.91 C +ATOM 1910 C LYS H 38 32.383 -3.321 6.544 1.00 24.55 C +ATOM 1911 O LYS H 38 32.327 -4.384 7.170 1.00 24.54 O +ATOM 1912 CB LYS H 38 30.106 -2.268 6.356 1.00 23.89 C +ATOM 1913 CG LYS H 38 30.486 -1.201 7.344 1.00 26.53 C +ATOM 1914 CD LYS H 38 29.384 -1.037 8.386 1.00 27.64 C +ATOM 1915 CE LYS H 38 29.599 0.216 9.214 1.00 27.73 C +ATOM 1916 NZ LYS H 38 28.360 0.643 9.913 1.00 30.74 N +ATOM 1917 N GLN H 39 33.410 -2.483 6.647 1.00 25.98 N +ATOM 1918 CA GLN H 39 34.524 -2.750 7.555 1.00 25.54 C +ATOM 1919 C GLN H 39 34.862 -1.488 8.342 1.00 25.95 C +ATOM 1920 O GLN H 39 35.382 -0.520 7.787 1.00 22.03 O +ATOM 1921 CB GLN H 39 35.765 -3.224 6.789 1.00 23.77 C +ATOM 1922 CG GLN H 39 37.000 -3.387 7.676 1.00 21.92 C +ATOM 1923 CD GLN H 39 38.010 -4.366 7.122 1.00 25.13 C +ATOM 1924 OE1 GLN H 39 38.350 -4.325 5.943 1.00 25.73 O +ATOM 1925 NE2 GLN H 39 38.503 -5.252 7.975 1.00 23.06 N +ATOM 1926 N LYS H 40 34.558 -1.505 9.636 1.00 30.67 N +ATOM 1927 CA LYS H 40 34.833 -0.363 10.503 1.00 33.08 C +ATOM 1928 C LYS H 40 36.330 -0.295 10.801 1.00 37.80 C +ATOM 1929 O LYS H 40 37.019 -1.320 10.781 1.00 37.10 O +ATOM 1930 CB LYS H 40 34.038 -0.480 11.805 1.00 32.21 C +ATOM 1931 CG LYS H 40 32.545 -0.190 11.654 1.00 32.85 C +ATOM 1932 CD LYS H 40 32.035 0.689 12.784 1.00 37.11 C +ATOM 1933 CE LYS H 40 31.442 -0.148 13.903 1.00 43.42 C +ATOM 1934 NZ LYS H 40 30.172 -0.814 13.495 1.00 46.57 N +ATOM 1935 N PRO H 41 36.856 0.918 11.073 1.00 41.77 N +ATOM 1936 CA PRO H 41 38.288 1.071 11.365 1.00 44.35 C +ATOM 1937 C PRO H 41 38.836 -0.014 12.302 1.00 45.82 C +ATOM 1938 O PRO H 41 38.252 -0.309 13.343 1.00 44.32 O +ATOM 1939 CB PRO H 41 38.398 2.485 11.955 1.00 44.81 C +ATOM 1940 CG PRO H 41 36.973 3.008 12.068 1.00 44.19 C +ATOM 1941 CD PRO H 41 36.144 2.208 11.124 1.00 40.04 C +ATOM 1942 N GLU H 42 39.958 -0.605 11.905 1.00 51.10 N +ATOM 1943 CA GLU H 42 40.606 -1.674 12.663 1.00 58.08 C +ATOM 1944 C GLU H 42 39.587 -2.656 13.257 1.00 59.14 C +ATOM 1945 O GLU H 42 39.750 -3.132 14.382 1.00 61.21 O +ATOM 1946 CB GLU H 42 41.506 -1.088 13.769 1.00 62.38 C +ATOM 1947 CG GLU H 42 42.647 -0.176 13.257 1.00 69.98 C +ATOM 1948 CD GLU H 42 44.061 -0.687 13.592 1.00 74.53 C +ATOM 1949 OE1 GLU H 42 44.373 -1.863 13.302 1.00 78.18 O +ATOM 1950 OE2 GLU H 42 44.872 0.095 14.141 1.00 75.96 O +ATOM 1951 N GLN H 43 38.545 -2.963 12.482 1.00 59.18 N +ATOM 1952 CA GLN H 43 37.492 -3.893 12.904 1.00 56.37 C +ATOM 1953 C GLN H 43 37.324 -5.090 11.945 1.00 51.13 C +ATOM 1954 O GLN H 43 38.230 -5.408 11.166 1.00 49.12 O +ATOM 1955 CB GLN H 43 36.162 -3.142 13.035 1.00 59.46 C +ATOM 1956 CG GLN H 43 36.006 -2.390 14.349 1.00 64.87 C +ATOM 1957 CD GLN H 43 35.684 -3.313 15.507 1.00 68.65 C +ATOM 1958 OE1 GLN H 43 34.522 -3.660 15.736 1.00 70.04 O +ATOM 1959 NE2 GLN H 43 36.714 -3.718 16.245 1.00 69.21 N +ATOM 1960 N GLY H 44 36.163 -5.745 12.013 1.00 46.19 N +ATOM 1961 CA GLY H 44 35.888 -6.895 11.161 1.00 39.38 C +ATOM 1962 C GLY H 44 34.993 -6.600 9.968 1.00 35.13 C +ATOM 1963 O GLY H 44 34.724 -5.443 9.651 1.00 34.54 O +ATOM 1964 N LEU H 45 34.512 -7.648 9.307 1.00 31.69 N +ATOM 1965 CA LEU H 45 33.663 -7.477 8.130 1.00 28.08 C +ATOM 1966 C LEU H 45 32.176 -7.775 8.370 1.00 27.04 C +ATOM 1967 O LEU H 45 31.829 -8.738 9.056 1.00 28.68 O +ATOM 1968 CB LEU H 45 34.191 -8.358 6.995 1.00 24.67 C +ATOM 1969 CG LEU H 45 35.662 -8.201 6.597 1.00 21.70 C +ATOM 1970 CD1 LEU H 45 36.088 -9.407 5.778 1.00 22.10 C +ATOM 1971 CD2 LEU H 45 35.848 -6.925 5.800 1.00 16.20 C +ATOM 1972 N GLU H 46 31.304 -6.941 7.803 1.00 23.91 N +ATOM 1973 CA GLU H 46 29.856 -7.117 7.943 1.00 23.29 C +ATOM 1974 C GLU H 46 29.123 -7.008 6.612 1.00 22.81 C +ATOM 1975 O GLU H 46 29.228 -5.998 5.917 1.00 24.55 O +ATOM 1976 CB GLU H 46 29.255 -6.063 8.878 1.00 26.01 C +ATOM 1977 CG GLU H 46 29.902 -5.940 10.249 1.00 31.58 C +ATOM 1978 CD GLU H 46 29.452 -4.683 10.986 1.00 33.96 C +ATOM 1979 OE1 GLU H 46 28.237 -4.543 11.246 1.00 31.81 O +ATOM 1980 OE2 GLU H 46 30.314 -3.835 11.302 1.00 37.12 O +ATOM 1981 N TRP H 47 28.363 -8.041 6.267 1.00 20.47 N +ATOM 1982 CA TRP H 47 27.586 -8.035 5.035 1.00 19.41 C +ATOM 1983 C TRP H 47 26.387 -7.106 5.258 1.00 19.53 C +ATOM 1984 O TRP H 47 25.719 -7.189 6.282 1.00 20.57 O +ATOM 1985 CB TRP H 47 27.123 -9.455 4.723 1.00 18.45 C +ATOM 1986 CG TRP H 47 26.108 -9.548 3.649 1.00 16.28 C +ATOM 1987 CD1 TRP H 47 26.335 -9.511 2.313 1.00 14.91 C +ATOM 1988 CD2 TRP H 47 24.690 -9.704 3.817 1.00 17.28 C +ATOM 1989 NE1 TRP H 47 25.150 -9.633 1.631 1.00 16.52 N +ATOM 1990 CE2 TRP H 47 24.125 -9.753 2.530 1.00 13.23 C +ATOM 1991 CE3 TRP H 47 23.846 -9.806 4.934 1.00 18.03 C +ATOM 1992 CZ2 TRP H 47 22.746 -9.900 2.318 1.00 16.33 C +ATOM 1993 CZ3 TRP H 47 22.472 -9.950 4.726 1.00 13.11 C +ATOM 1994 CH2 TRP H 47 21.940 -9.996 3.425 1.00 14.68 C +ATOM 1995 N ILE H 48 26.115 -6.221 4.306 1.00 18.96 N +ATOM 1996 CA ILE H 48 25.003 -5.291 4.453 1.00 18.93 C +ATOM 1997 C ILE H 48 23.761 -5.694 3.690 1.00 18.04 C +ATOM 1998 O ILE H 48 22.712 -5.880 4.272 1.00 19.12 O +ATOM 1999 CB ILE H 48 25.373 -3.871 3.982 1.00 20.37 C +ATOM 2000 CG1 ILE H 48 26.686 -3.425 4.627 1.00 19.31 C +ATOM 2001 CG2 ILE H 48 24.229 -2.918 4.295 1.00 18.80 C +ATOM 2002 CD1 ILE H 48 27.372 -2.269 3.915 1.00 22.25 C +ATOM 2003 N ALA H 49 23.872 -5.802 2.375 1.00 20.39 N +ATOM 2004 CA ALA H 49 22.726 -6.172 1.559 1.00 20.41 C +ATOM 2005 C ALA H 49 23.173 -6.920 0.320 1.00 19.98 C +ATOM 2006 O ALA H 49 24.343 -6.873 -0.061 1.00 20.25 O +ATOM 2007 CB ALA H 49 21.943 -4.930 1.155 1.00 18.10 C +ATOM 2008 N GLN H 50 22.219 -7.604 -0.297 1.00 20.40 N +ATOM 2009 CA GLN H 50 22.446 -8.383 -1.501 1.00 20.35 C +ATOM 2010 C GLN H 50 21.357 -8.023 -2.514 1.00 21.76 C +ATOM 2011 O GLN H 50 20.231 -7.695 -2.131 1.00 22.43 O +ATOM 2012 CB GLN H 50 22.368 -9.875 -1.163 1.00 17.93 C +ATOM 2013 CG GLN H 50 22.122 -10.791 -2.356 1.00 22.13 C +ATOM 2014 CD GLN H 50 21.646 -12.174 -1.938 1.00 19.07 C +ATOM 2015 OE1 GLN H 50 20.554 -12.591 -2.293 1.00 21.66 O +ATOM 2016 NE2 GLN H 50 22.476 -12.891 -1.185 1.00 18.08 N +ATOM 2017 N ILE H 51 21.698 -8.051 -3.801 1.00 20.24 N +ATOM 2018 CA ILE H 51 20.713 -7.779 -4.847 1.00 18.55 C +ATOM 2019 C ILE H 51 20.923 -8.620 -6.091 1.00 16.32 C +ATOM 2020 O ILE H 51 22.049 -8.868 -6.515 1.00 15.85 O +ATOM 2021 CB ILE H 51 20.671 -6.278 -5.289 1.00 18.57 C +ATOM 2022 CG1 ILE H 51 19.339 -6.001 -6.001 1.00 17.24 C +ATOM 2023 CG2 ILE H 51 21.826 -5.952 -6.211 1.00 15.81 C +ATOM 2024 CD1 ILE H 51 19.165 -4.592 -6.504 1.00 16.62 C +ATOM 2025 N ASP H 52 19.817 -9.076 -6.657 1.00 19.45 N +ATOM 2026 CA ASP H 52 19.838 -9.857 -7.886 1.00 20.62 C +ATOM 2027 C ASP H 52 19.432 -8.876 -8.997 1.00 21.93 C +ATOM 2028 O ASP H 52 18.249 -8.596 -9.180 1.00 25.24 O +ATOM 2029 CB ASP H 52 18.832 -10.999 -7.779 1.00 21.11 C +ATOM 2030 CG ASP H 52 18.764 -11.825 -9.032 1.00 25.20 C +ATOM 2031 OD1 ASP H 52 19.487 -11.490 -9.995 1.00 29.91 O +ATOM 2032 OD2 ASP H 52 17.984 -12.803 -9.055 1.00 25.33 O +ATOM 2033 N PRO H 52A 20.412 -8.334 -9.744 1.00 20.78 N +ATOM 2034 CA PRO H 52A 20.156 -7.376 -10.826 1.00 21.65 C +ATOM 2035 C PRO H 52A 19.193 -7.832 -11.920 1.00 26.13 C +ATOM 2036 O PRO H 52A 18.676 -7.008 -12.684 1.00 25.95 O +ATOM 2037 CB PRO H 52A 21.548 -7.078 -11.371 1.00 19.53 C +ATOM 2038 CG PRO H 52A 22.465 -7.420 -10.251 1.00 16.19 C +ATOM 2039 CD PRO H 52A 21.850 -8.609 -9.606 1.00 15.87 C +ATOM 2040 N ALA H 53 18.947 -9.137 -11.991 1.00 27.20 N +ATOM 2041 CA ALA H 53 18.043 -9.679 -12.993 1.00 27.59 C +ATOM 2042 C ALA H 53 16.576 -9.409 -12.659 1.00 27.54 C +ATOM 2043 O ALA H 53 15.750 -9.287 -13.560 1.00 27.65 O +ATOM 2044 CB ALA H 53 18.276 -11.171 -13.152 1.00 30.41 C +ATOM 2045 N ASN H 54 16.237 -9.324 -11.376 1.00 27.22 N +ATOM 2046 CA ASN H 54 14.856 -9.041 -11.022 1.00 27.74 C +ATOM 2047 C ASN H 54 14.694 -7.964 -9.952 1.00 29.88 C +ATOM 2048 O ASN H 54 13.582 -7.660 -9.529 1.00 31.60 O +ATOM 2049 CB ASN H 54 14.124 -10.328 -10.619 1.00 31.47 C +ATOM 2050 CG ASN H 54 14.794 -11.051 -9.494 1.00 34.68 C +ATOM 2051 OD1 ASN H 54 15.497 -10.446 -8.694 1.00 40.57 O +ATOM 2052 ND2 ASN H 54 14.580 -12.358 -9.418 1.00 35.76 N +ATOM 2053 N GLY H 55 15.805 -7.374 -9.526 1.00 30.15 N +ATOM 2054 CA GLY H 55 15.747 -6.316 -8.535 1.00 28.67 C +ATOM 2055 C GLY H 55 15.468 -6.749 -7.108 1.00 32.66 C +ATOM 2056 O GLY H 55 15.250 -5.902 -6.233 1.00 33.32 O +ATOM 2057 N ASN H 56 15.479 -8.056 -6.857 1.00 32.83 N +ATOM 2058 CA ASN H 56 15.216 -8.565 -5.514 1.00 31.56 C +ATOM 2059 C ASN H 56 16.402 -8.333 -4.594 1.00 29.60 C +ATOM 2060 O ASN H 56 17.550 -8.501 -5.001 1.00 25.73 O +ATOM 2061 CB ASN H 56 14.871 -10.050 -5.568 1.00 35.79 C +ATOM 2062 CG ASN H 56 13.472 -10.298 -6.089 1.00 39.57 C +ATOM 2063 OD1 ASN H 56 12.586 -9.444 -5.970 1.00 43.41 O +ATOM 2064 ND2 ASN H 56 13.263 -11.471 -6.676 1.00 44.20 N +ATOM 2065 N THR H 57 16.105 -7.958 -3.349 1.00 30.13 N +ATOM 2066 CA THR H 57 17.127 -7.653 -2.356 1.00 28.01 C +ATOM 2067 C THR H 57 17.000 -8.406 -1.039 1.00 29.41 C +ATOM 2068 O THR H 57 15.929 -8.900 -0.691 1.00 29.69 O +ATOM 2069 CB THR H 57 17.109 -6.162 -2.007 1.00 25.40 C +ATOM 2070 OG1 THR H 57 15.815 -5.813 -1.509 1.00 24.60 O +ATOM 2071 CG2 THR H 57 17.399 -5.327 -3.221 1.00 23.69 C +ATOM 2072 N LYS H 58 18.119 -8.471 -0.321 1.00 29.24 N +ATOM 2073 CA LYS H 58 18.225 -9.101 0.998 1.00 29.17 C +ATOM 2074 C LYS H 58 19.009 -8.113 1.870 1.00 26.47 C +ATOM 2075 O LYS H 58 19.984 -7.523 1.416 1.00 28.29 O +ATOM 2076 CB LYS H 58 19.009 -10.415 0.919 1.00 32.27 C +ATOM 2077 CG LYS H 58 18.217 -11.621 0.439 1.00 36.61 C +ATOM 2078 CD LYS H 58 19.101 -12.865 0.412 1.00 40.96 C +ATOM 2079 CE LYS H 58 18.317 -14.119 0.051 1.00 42.83 C +ATOM 2080 NZ LYS H 58 18.979 -15.340 0.596 1.00 45.83 N +ATOM 2081 N TYR H 59 18.585 -7.929 3.113 1.00 24.88 N +ATOM 2082 CA TYR H 59 19.262 -7.006 4.013 1.00 25.54 C +ATOM 2083 C TYR H 59 19.506 -7.631 5.376 1.00 26.49 C +ATOM 2084 O TYR H 59 18.716 -8.439 5.852 1.00 28.99 O +ATOM 2085 CB TYR H 59 18.413 -5.744 4.247 1.00 26.27 C +ATOM 2086 CG TYR H 59 18.249 -4.825 3.064 1.00 25.43 C +ATOM 2087 CD1 TYR H 59 19.202 -3.853 2.768 1.00 25.05 C +ATOM 2088 CD2 TYR H 59 17.142 -4.932 2.233 1.00 23.67 C +ATOM 2089 CE1 TYR H 59 19.053 -3.006 1.659 1.00 22.20 C +ATOM 2090 CE2 TYR H 59 16.985 -4.096 1.129 1.00 25.73 C +ATOM 2091 CZ TYR H 59 17.939 -3.140 0.846 1.00 19.00 C +ATOM 2092 OH TYR H 59 17.773 -2.335 -0.258 1.00 20.78 O +ATOM 2093 N ASP H 60 20.605 -7.259 6.013 1.00 27.11 N +ATOM 2094 CA ASP H 60 20.844 -7.744 7.352 1.00 30.02 C +ATOM 2095 C ASP H 60 19.927 -6.836 8.172 1.00 32.32 C +ATOM 2096 O ASP H 60 20.005 -5.612 8.068 1.00 33.51 O +ATOM 2097 CB ASP H 60 22.292 -7.532 7.769 1.00 27.97 C +ATOM 2098 CG ASP H 60 22.578 -8.104 9.137 1.00 30.71 C +ATOM 2099 OD1 ASP H 60 21.710 -7.971 10.021 1.00 34.87 O +ATOM 2100 OD2 ASP H 60 23.658 -8.693 9.331 1.00 33.03 O +ATOM 2101 N PRO H 61 19.033 -7.420 8.981 1.00 33.87 N +ATOM 2102 CA PRO H 61 18.101 -6.643 9.808 1.00 35.73 C +ATOM 2103 C PRO H 61 18.723 -5.481 10.599 1.00 35.34 C +ATOM 2104 O PRO H 61 18.032 -4.522 10.943 1.00 33.14 O +ATOM 2105 CB PRO H 61 17.472 -7.695 10.730 1.00 37.23 C +ATOM 2106 CG PRO H 61 18.324 -8.931 10.566 1.00 35.17 C +ATOM 2107 CD PRO H 61 18.855 -8.865 9.180 1.00 31.97 C +ATOM 2108 N LYS H 62 20.019 -5.577 10.885 1.00 35.49 N +ATOM 2109 CA LYS H 62 20.726 -4.542 11.634 1.00 35.56 C +ATOM 2110 C LYS H 62 20.815 -3.233 10.848 1.00 37.36 C +ATOM 2111 O LYS H 62 20.909 -2.161 11.438 1.00 37.67 O +ATOM 2112 CB LYS H 62 22.129 -5.032 12.006 1.00 36.02 C +ATOM 2113 CG LYS H 62 22.131 -6.080 13.114 1.00 40.81 C +ATOM 2114 CD LYS H 62 23.052 -7.249 12.791 1.00 44.59 C +ATOM 2115 CE LYS H 62 22.373 -8.596 13.058 1.00 47.24 C +ATOM 2116 NZ LYS H 62 23.224 -9.749 12.614 1.00 49.11 N +ATOM 2117 N PHE H 63 20.796 -3.324 9.519 1.00 40.27 N +ATOM 2118 CA PHE H 63 20.847 -2.141 8.658 1.00 42.60 C +ATOM 2119 C PHE H 63 19.411 -1.887 8.222 1.00 47.68 C +ATOM 2120 O PHE H 63 19.100 -1.651 7.051 1.00 47.15 O +ATOM 2121 CB PHE H 63 21.756 -2.393 7.452 1.00 36.85 C +ATOM 2122 CG PHE H 63 23.182 -2.685 7.826 1.00 28.24 C +ATOM 2123 CD1 PHE H 63 24.051 -1.656 8.153 1.00 23.83 C +ATOM 2124 CD2 PHE H 63 23.643 -3.994 7.885 1.00 23.95 C +ATOM 2125 CE1 PHE H 63 25.359 -1.927 8.538 1.00 24.09 C +ATOM 2126 CE2 PHE H 63 24.943 -4.272 8.265 1.00 19.55 C +ATOM 2127 CZ PHE H 63 25.805 -3.239 8.594 1.00 25.80 C +ATOM 2128 N GLN H 64 18.543 -1.957 9.220 1.00 53.44 N +ATOM 2129 CA GLN H 64 17.112 -1.771 9.070 1.00 54.74 C +ATOM 2130 C GLN H 64 16.746 -0.485 8.361 1.00 50.87 C +ATOM 2131 O GLN H 64 16.754 0.586 8.959 1.00 51.83 O +ATOM 2132 CB GLN H 64 16.453 -1.787 10.451 1.00 59.94 C +ATOM 2133 CG GLN H 64 17.449 -1.820 11.613 1.00 64.89 C +ATOM 2134 CD GLN H 64 17.691 -0.454 12.228 1.00 69.88 C +ATOM 2135 OE1 GLN H 64 17.958 -0.335 13.425 1.00 73.28 O +ATOM 2136 NE2 GLN H 64 17.597 0.589 11.407 1.00 71.38 N +ATOM 2137 N GLY H 65 16.424 -0.596 7.082 1.00 48.72 N +ATOM 2138 CA GLY H 65 16.023 0.577 6.332 1.00 48.88 C +ATOM 2139 C GLY H 65 16.835 1.829 6.592 1.00 46.31 C +ATOM 2140 O GLY H 65 16.297 2.893 6.902 1.00 47.12 O +ATOM 2141 N LYS H 66 18.147 1.682 6.501 1.00 42.56 N +ATOM 2142 CA LYS H 66 19.066 2.791 6.650 1.00 36.27 C +ATOM 2143 C LYS H 66 19.923 2.621 5.400 1.00 32.72 C +ATOM 2144 O LYS H 66 20.478 3.577 4.857 1.00 27.32 O +ATOM 2145 CB LYS H 66 19.902 2.642 7.916 1.00 40.24 C +ATOM 2146 CG LYS H 66 19.804 3.846 8.844 1.00 43.49 C +ATOM 2147 CD LYS H 66 21.148 4.166 9.509 1.00 48.50 C +ATOM 2148 CE LYS H 66 20.966 4.531 10.986 1.00 49.03 C +ATOM 2149 NZ LYS H 66 21.761 5.726 11.396 1.00 51.33 N +ATOM 2150 N ALA H 67 19.984 1.374 4.940 1.00 28.00 N +ATOM 2151 CA ALA H 67 20.726 1.005 3.746 1.00 26.18 C +ATOM 2152 C ALA H 67 19.726 0.562 2.689 1.00 25.14 C +ATOM 2153 O ALA H 67 18.781 -0.165 2.990 1.00 26.09 O +ATOM 2154 CB ALA H 67 21.692 -0.128 4.058 1.00 24.46 C +ATOM 2155 N THR H 68 19.921 1.030 1.460 1.00 25.72 N +ATOM 2156 CA THR H 68 19.058 0.669 0.333 1.00 26.05 C +ATOM 2157 C THR H 68 19.966 0.273 -0.815 1.00 26.40 C +ATOM 2158 O THR H 68 20.765 1.079 -1.281 1.00 25.92 O +ATOM 2159 CB THR H 68 18.169 1.851 -0.180 1.00 25.94 C +ATOM 2160 OG1 THR H 68 17.240 2.255 0.834 1.00 23.45 O +ATOM 2161 CG2 THR H 68 17.379 1.418 -1.413 1.00 23.80 C +ATOM 2162 N ILE H 69 19.845 -0.968 -1.269 1.00 27.65 N +ATOM 2163 CA ILE H 69 20.664 -1.447 -2.381 1.00 27.28 C +ATOM 2164 C ILE H 69 19.846 -1.447 -3.684 1.00 24.93 C +ATOM 2165 O ILE H 69 18.672 -1.823 -3.690 1.00 23.93 O +ATOM 2166 CB ILE H 69 21.225 -2.877 -2.067 1.00 28.18 C +ATOM 2167 CG1 ILE H 69 22.419 -3.191 -2.969 1.00 27.27 C +ATOM 2168 CG2 ILE H 69 20.129 -3.920 -2.202 1.00 25.16 C +ATOM 2169 CD1 ILE H 69 23.136 -4.483 -2.603 1.00 22.69 C +ATOM 2170 N THR H 70 20.452 -0.967 -4.771 1.00 25.19 N +ATOM 2171 CA THR H 70 19.795 -0.929 -6.084 1.00 25.92 C +ATOM 2172 C THR H 70 20.815 -1.302 -7.165 1.00 25.37 C +ATOM 2173 O THR H 70 22.008 -1.391 -6.896 1.00 28.92 O +ATOM 2174 CB THR H 70 19.177 0.480 -6.423 1.00 25.00 C +ATOM 2175 OG1 THR H 70 20.145 1.510 -6.204 1.00 23.32 O +ATOM 2176 CG2 THR H 70 17.940 0.758 -5.570 1.00 18.86 C +ATOM 2177 N ALA H 71 20.357 -1.542 -8.385 1.00 25.62 N +ATOM 2178 CA ALA H 71 21.286 -1.902 -9.449 1.00 26.25 C +ATOM 2179 C ALA H 71 20.745 -1.494 -10.802 1.00 28.02 C +ATOM 2180 O ALA H 71 19.533 -1.482 -11.010 1.00 30.62 O +ATOM 2181 CB ALA H 71 21.543 -3.403 -9.432 1.00 22.51 C +ATOM 2182 N ASP H 72 21.638 -1.153 -11.722 1.00 27.91 N +ATOM 2183 CA ASP H 72 21.210 -0.782 -13.057 1.00 30.41 C +ATOM 2184 C ASP H 72 21.968 -1.604 -14.072 1.00 28.52 C +ATOM 2185 O ASP H 72 23.140 -1.341 -14.337 1.00 31.50 O +ATOM 2186 CB ASP H 72 21.467 0.690 -13.327 1.00 34.17 C +ATOM 2187 CG ASP H 72 21.061 1.081 -14.720 1.00 38.45 C +ATOM 2188 OD1 ASP H 72 19.843 1.170 -14.972 1.00 40.66 O +ATOM 2189 OD2 ASP H 72 21.954 1.279 -15.565 1.00 41.54 O +ATOM 2190 N THR H 73 21.297 -2.597 -14.643 1.00 27.70 N +ATOM 2191 CA THR H 73 21.935 -3.462 -15.622 1.00 28.79 C +ATOM 2192 C THR H 73 22.460 -2.694 -16.827 1.00 30.96 C +ATOM 2193 O THR H 73 23.482 -3.077 -17.400 1.00 32.20 O +ATOM 2194 CB THR H 73 20.978 -4.569 -16.110 1.00 24.38 C +ATOM 2195 OG1 THR H 73 19.728 -3.991 -16.491 1.00 29.89 O +ATOM 2196 CG2 THR H 73 20.732 -5.579 -15.014 1.00 25.74 C +ATOM 2197 N SER H 74 21.792 -1.601 -17.204 1.00 35.76 N +ATOM 2198 CA SER H 74 22.228 -0.822 -18.370 1.00 37.16 C +ATOM 2199 C SER H 74 23.612 -0.202 -18.193 1.00 36.79 C +ATOM 2200 O SER H 74 24.386 -0.125 -19.151 1.00 36.25 O +ATOM 2201 CB SER H 74 21.209 0.270 -18.733 1.00 41.43 C +ATOM 2202 OG SER H 74 20.391 0.627 -17.634 1.00 53.29 O +ATOM 2203 N SER H 75 23.936 0.239 -16.979 1.00 33.71 N +ATOM 2204 CA SER H 75 25.258 0.814 -16.741 1.00 28.96 C +ATOM 2205 C SER H 75 26.152 -0.210 -16.048 1.00 25.41 C +ATOM 2206 O SER H 75 27.303 0.075 -15.743 1.00 25.92 O +ATOM 2207 CB SER H 75 25.159 2.081 -15.889 1.00 25.37 C +ATOM 2208 OG SER H 75 24.066 2.012 -14.999 1.00 28.77 O +ATOM 2209 N ASN H 76 25.618 -1.405 -15.811 1.00 25.08 N +ATOM 2210 CA ASN H 76 26.380 -2.465 -15.161 1.00 23.43 C +ATOM 2211 C ASN H 76 26.857 -1.949 -13.821 1.00 21.70 C +ATOM 2212 O ASN H 76 27.989 -2.203 -13.405 1.00 20.06 O +ATOM 2213 CB ASN H 76 27.591 -2.840 -16.015 1.00 23.09 C +ATOM 2214 CG ASN H 76 27.858 -4.324 -16.024 1.00 21.66 C +ATOM 2215 OD1 ASN H 76 26.937 -5.131 -15.936 1.00 23.97 O +ATOM 2216 ND2 ASN H 76 29.124 -4.694 -16.137 1.00 22.61 N +ATOM 2217 N THR H 77 25.977 -1.239 -13.133 1.00 22.19 N +ATOM 2218 CA THR H 77 26.344 -0.643 -11.859 1.00 21.82 C +ATOM 2219 C THR H 77 25.420 -0.970 -10.699 1.00 22.20 C +ATOM 2220 O THR H 77 24.197 -1.041 -10.863 1.00 24.85 O +ATOM 2221 CB THR H 77 26.414 0.892 -12.002 1.00 20.42 C +ATOM 2222 OG1 THR H 77 27.438 1.235 -12.938 1.00 23.09 O +ATOM 2223 CG2 THR H 77 26.729 1.544 -10.676 1.00 20.32 C +ATOM 2224 N ALA H 78 26.023 -1.171 -9.529 1.00 21.02 N +ATOM 2225 CA ALA H 78 25.283 -1.447 -8.291 1.00 23.18 C +ATOM 2226 C ALA H 78 25.505 -0.263 -7.328 1.00 23.00 C +ATOM 2227 O ALA H 78 26.595 0.327 -7.292 1.00 24.77 O +ATOM 2228 CB ALA H 78 25.767 -2.752 -7.650 1.00 17.96 C +ATOM 2229 N TYR H 79 24.480 0.076 -6.551 1.00 22.16 N +ATOM 2230 CA TYR H 79 24.569 1.201 -5.628 1.00 19.80 C +ATOM 2231 C TYR H 79 24.253 0.870 -4.185 1.00 17.84 C +ATOM 2232 O TYR H 79 23.576 -0.109 -3.887 1.00 23.83 O +ATOM 2233 CB TYR H 79 23.614 2.309 -6.068 1.00 22.47 C +ATOM 2234 CG TYR H 79 23.701 2.680 -7.527 1.00 23.62 C +ATOM 2235 CD1 TYR H 79 22.968 1.982 -8.484 1.00 24.16 C +ATOM 2236 CD2 TYR H 79 24.498 3.746 -7.949 1.00 23.81 C +ATOM 2237 CE1 TYR H 79 23.020 2.334 -9.837 1.00 28.63 C +ATOM 2238 CE2 TYR H 79 24.559 4.109 -9.298 1.00 30.28 C +ATOM 2239 CZ TYR H 79 23.814 3.397 -10.236 1.00 30.83 C +ATOM 2240 OH TYR H 79 23.853 3.760 -11.567 1.00 34.74 O +ATOM 2241 N LEU H 80 24.752 1.712 -3.290 1.00 18.23 N +ATOM 2242 CA LEU H 80 24.491 1.570 -1.865 1.00 15.91 C +ATOM 2243 C LEU H 80 24.121 2.954 -1.353 1.00 18.37 C +ATOM 2244 O LEU H 80 24.935 3.866 -1.384 1.00 19.35 O +ATOM 2245 CB LEU H 80 25.727 1.058 -1.115 1.00 16.54 C +ATOM 2246 CG LEU H 80 25.609 0.966 0.409 1.00 16.24 C +ATOM 2247 CD1 LEU H 80 24.676 -0.167 0.793 1.00 21.35 C +ATOM 2248 CD2 LEU H 80 26.973 0.755 1.015 1.00 17.07 C +ATOM 2249 N HIS H 81 22.878 3.109 -0.911 1.00 20.67 N +ATOM 2250 CA HIS H 81 22.406 4.374 -0.372 1.00 19.73 C +ATOM 2251 C HIS H 81 22.305 4.249 1.147 1.00 18.59 C +ATOM 2252 O HIS H 81 21.700 3.309 1.653 1.00 20.60 O +ATOM 2253 CB HIS H 81 21.036 4.716 -0.949 1.00 21.94 C +ATOM 2254 CG HIS H 81 20.491 6.022 -0.461 1.00 27.40 C +ATOM 2255 ND1 HIS H 81 19.692 6.125 0.658 1.00 29.87 N +ATOM 2256 CD2 HIS H 81 20.661 7.284 -0.918 1.00 26.57 C +ATOM 2257 CE1 HIS H 81 19.396 7.394 0.868 1.00 27.29 C +ATOM 2258 NE2 HIS H 81 19.972 8.117 -0.074 1.00 24.60 N +ATOM 2259 N LEU H 82 22.899 5.195 1.864 1.00 18.08 N +ATOM 2260 CA LEU H 82 22.886 5.194 3.326 1.00 18.51 C +ATOM 2261 C LEU H 82 22.313 6.503 3.860 1.00 22.03 C +ATOM 2262 O LEU H 82 22.845 7.575 3.579 1.00 24.55 O +ATOM 2263 CB LEU H 82 24.304 5.013 3.857 1.00 17.55 C +ATOM 2264 CG LEU H 82 25.070 3.799 3.339 1.00 19.30 C +ATOM 2265 CD1 LEU H 82 26.575 4.035 3.464 1.00 16.60 C +ATOM 2266 CD2 LEU H 82 24.647 2.576 4.134 1.00 15.86 C +ATOM 2267 N SER H 82A 21.234 6.411 4.634 1.00 24.39 N +ATOM 2268 CA SER H 82A 20.578 7.589 5.193 1.00 25.39 C +ATOM 2269 C SER H 82A 20.869 7.805 6.683 1.00 27.99 C +ATOM 2270 O SER H 82A 21.389 6.920 7.365 1.00 26.42 O +ATOM 2271 CB SER H 82A 19.065 7.497 4.976 1.00 21.92 C +ATOM 2272 OG SER H 82A 18.474 6.516 5.815 1.00 25.84 O +ATOM 2273 N SER H 82B 20.531 8.999 7.170 1.00 29.47 N +ATOM 2274 CA SER H 82B 20.732 9.373 8.570 1.00 26.92 C +ATOM 2275 C SER H 82B 22.116 8.972 9.039 1.00 24.32 C +ATOM 2276 O SER H 82B 22.266 8.249 10.021 1.00 24.32 O +ATOM 2277 CB SER H 82B 19.668 8.709 9.447 1.00 24.99 C +ATOM 2278 OG SER H 82B 18.365 9.043 8.996 1.00 27.80 O +ATOM 2279 N LEU H 82C 23.131 9.454 8.335 1.00 26.18 N +ATOM 2280 CA LEU H 82C 24.502 9.104 8.673 1.00 25.08 C +ATOM 2281 C LEU H 82C 24.940 9.521 10.066 1.00 27.38 C +ATOM 2282 O LEU H 82C 24.716 10.651 10.494 1.00 28.26 O +ATOM 2283 CB LEU H 82C 25.459 9.676 7.633 1.00 20.83 C +ATOM 2284 CG LEU H 82C 25.285 9.055 6.246 1.00 16.68 C +ATOM 2285 CD1 LEU H 82C 26.125 9.805 5.244 1.00 16.16 C +ATOM 2286 CD2 LEU H 82C 25.677 7.582 6.289 1.00 17.01 C +ATOM 2287 N THR H 83 25.541 8.565 10.770 1.00 28.38 N +ATOM 2288 CA THR H 83 26.075 8.767 12.111 1.00 31.57 C +ATOM 2289 C THR H 83 27.536 8.298 12.062 1.00 29.36 C +ATOM 2290 O THR H 83 27.987 7.798 11.036 1.00 26.44 O +ATOM 2291 CB THR H 83 25.284 7.960 13.179 1.00 32.47 C +ATOM 2292 OG1 THR H 83 25.727 6.597 13.188 1.00 38.39 O +ATOM 2293 CG2 THR H 83 23.787 8.007 12.888 1.00 35.90 C +ATOM 2294 N SER H 84 28.275 8.462 13.152 1.00 28.63 N +ATOM 2295 CA SER H 84 29.672 8.056 13.164 1.00 31.72 C +ATOM 2296 C SER H 84 29.878 6.544 13.103 1.00 34.08 C +ATOM 2297 O SER H 84 30.943 6.082 12.690 1.00 34.31 O +ATOM 2298 CB SER H 84 30.377 8.617 14.402 1.00 33.45 C +ATOM 2299 OG SER H 84 29.982 7.927 15.573 1.00 34.77 O +ATOM 2300 N GLU H 85 28.875 5.772 13.519 1.00 34.73 N +ATOM 2301 CA GLU H 85 28.986 4.316 13.492 1.00 37.88 C +ATOM 2302 C GLU H 85 28.968 3.856 12.041 1.00 37.50 C +ATOM 2303 O GLU H 85 29.244 2.695 11.734 1.00 34.80 O +ATOM 2304 CB GLU H 85 27.823 3.682 14.251 1.00 45.86 C +ATOM 2305 CG GLU H 85 27.732 4.112 15.708 1.00 59.84 C +ATOM 2306 CD GLU H 85 27.412 2.951 16.640 1.00 66.85 C +ATOM 2307 OE1 GLU H 85 27.470 1.787 16.177 1.00 70.98 O +ATOM 2308 OE2 GLU H 85 27.103 3.201 17.830 1.00 70.17 O +ATOM 2309 N ASP H 86 28.646 4.798 11.156 1.00 35.93 N +ATOM 2310 CA ASP H 86 28.579 4.560 9.720 1.00 32.96 C +ATOM 2311 C ASP H 86 29.933 4.781 9.030 1.00 32.19 C +ATOM 2312 O ASP H 86 30.123 4.359 7.887 1.00 35.09 O +ATOM 2313 CB ASP H 86 27.512 5.466 9.093 1.00 30.48 C +ATOM 2314 CG ASP H 86 26.095 4.997 9.395 1.00 29.45 C +ATOM 2315 OD1 ASP H 86 25.834 3.789 9.283 1.00 33.83 O +ATOM 2316 OD2 ASP H 86 25.234 5.827 9.743 1.00 31.56 O +ATOM 2317 N SER H 87 30.868 5.443 9.710 1.00 28.20 N +ATOM 2318 CA SER H 87 32.197 5.667 9.133 1.00 28.80 C +ATOM 2319 C SER H 87 32.852 4.302 8.949 1.00 30.80 C +ATOM 2320 O SER H 87 32.878 3.486 9.875 1.00 31.83 O +ATOM 2321 CB SER H 87 33.073 6.518 10.059 1.00 27.36 C +ATOM 2322 OG SER H 87 32.468 7.766 10.331 1.00 27.19 O +ATOM 2323 N ALA H 88 33.376 4.051 7.756 1.00 28.50 N +ATOM 2324 CA ALA H 88 34.015 2.776 7.478 1.00 28.28 C +ATOM 2325 C ALA H 88 34.380 2.673 6.008 1.00 26.61 C +ATOM 2326 O ALA H 88 34.202 3.624 5.241 1.00 24.62 O +ATOM 2327 CB ALA H 88 33.077 1.625 7.861 1.00 26.19 C +ATOM 2328 N VAL H 89 34.914 1.512 5.638 1.00 27.14 N +ATOM 2329 CA VAL H 89 35.288 1.219 4.256 1.00 25.31 C +ATOM 2330 C VAL H 89 34.167 0.341 3.713 1.00 21.77 C +ATOM 2331 O VAL H 89 33.791 -0.651 4.339 1.00 22.72 O +ATOM 2332 CB VAL H 89 36.636 0.437 4.167 1.00 22.52 C +ATOM 2333 CG1 VAL H 89 36.998 0.189 2.720 1.00 20.22 C +ATOM 2334 CG2 VAL H 89 37.751 1.221 4.850 1.00 21.67 C +ATOM 2335 N TYR H 90 33.609 0.714 2.570 1.00 19.99 N +ATOM 2336 CA TYR H 90 32.546 -0.079 1.997 1.00 19.14 C +ATOM 2337 C TYR H 90 33.030 -0.778 0.746 1.00 19.67 C +ATOM 2338 O TYR H 90 33.543 -0.147 -0.180 1.00 22.26 O +ATOM 2339 CB TYR H 90 31.328 0.798 1.687 1.00 17.65 C +ATOM 2340 CG TYR H 90 30.603 1.237 2.934 1.00 15.90 C +ATOM 2341 CD1 TYR H 90 31.128 2.234 3.742 1.00 18.73 C +ATOM 2342 CD2 TYR H 90 29.424 0.615 3.341 1.00 21.36 C +ATOM 2343 CE1 TYR H 90 30.510 2.598 4.923 1.00 18.07 C +ATOM 2344 CE2 TYR H 90 28.791 0.976 4.530 1.00 18.00 C +ATOM 2345 CZ TYR H 90 29.345 1.969 5.312 1.00 19.95 C +ATOM 2346 OH TYR H 90 28.740 2.350 6.489 1.00 24.62 O +ATOM 2347 N TYR H 91 32.870 -2.095 0.725 1.00 19.93 N +ATOM 2348 CA TYR H 91 33.281 -2.881 -0.429 1.00 22.10 C +ATOM 2349 C TYR H 91 32.067 -3.449 -1.140 1.00 24.46 C +ATOM 2350 O TYR H 91 31.116 -3.890 -0.493 1.00 26.17 O +ATOM 2351 CB TYR H 91 34.153 -4.074 -0.014 1.00 20.52 C +ATOM 2352 CG TYR H 91 35.464 -3.752 0.669 1.00 18.95 C +ATOM 2353 CD1 TYR H 91 36.579 -3.349 -0.064 1.00 16.04 C +ATOM 2354 CD2 TYR H 91 35.603 -3.908 2.048 1.00 17.92 C +ATOM 2355 CE1 TYR H 91 37.805 -3.111 0.559 1.00 18.93 C +ATOM 2356 CE2 TYR H 91 36.820 -3.672 2.681 1.00 19.43 C +ATOM 2357 CZ TYR H 91 37.919 -3.274 1.938 1.00 21.19 C +ATOM 2358 OH TYR H 91 39.117 -3.035 2.584 1.00 23.50 O +ATOM 2359 N CYS H 92 32.078 -3.415 -2.470 1.00 25.54 N +ATOM 2360 CA CYS H 92 31.004 -4.048 -3.212 1.00 27.65 C +ATOM 2361 C CYS H 92 31.707 -5.343 -3.650 1.00 25.22 C +ATOM 2362 O CYS H 92 32.916 -5.358 -3.896 1.00 18.58 O +ATOM 2363 CB CYS H 92 30.560 -3.217 -4.420 1.00 29.80 C +ATOM 2364 SG CYS H 92 31.843 -3.044 -5.679 1.00 41.91 S +ATOM 2365 N ALA H 93 30.955 -6.432 -3.701 1.00 24.28 N +ATOM 2366 CA ALA H 93 31.517 -7.717 -4.062 1.00 21.06 C +ATOM 2367 C ALA H 93 30.551 -8.473 -4.931 1.00 18.42 C +ATOM 2368 O ALA H 93 29.337 -8.407 -4.729 1.00 19.45 O +ATOM 2369 CB ALA H 93 31.804 -8.526 -2.800 1.00 19.51 C +ATOM 2370 N ALA H 94 31.095 -9.200 -5.895 1.00 15.55 N +ATOM 2371 CA ALA H 94 30.280 -10.008 -6.785 1.00 15.53 C +ATOM 2372 C ALA H 94 30.525 -11.489 -6.513 1.00 10.89 C +ATOM 2373 O ALA H 94 31.638 -11.892 -6.205 1.00 14.56 O +ATOM 2374 CB ALA H 94 30.616 -9.687 -8.249 1.00 12.74 C +ATOM 2375 N ASP H 95 29.469 -12.285 -6.597 1.00 17.07 N +ATOM 2376 CA ASP H 95 29.580 -13.735 -6.443 1.00 19.49 C +ATOM 2377 C ASP H 95 30.346 -14.112 -7.703 1.00 21.58 C +ATOM 2378 O ASP H 95 30.238 -13.422 -8.716 1.00 26.94 O +ATOM 2379 CB ASP H 95 28.202 -14.402 -6.520 1.00 16.00 C +ATOM 2380 CG ASP H 95 27.427 -14.322 -5.227 1.00 18.14 C +ATOM 2381 OD1 ASP H 95 27.953 -13.775 -4.234 1.00 20.69 O +ATOM 2382 OD2 ASP H 95 26.277 -14.813 -5.205 1.00 19.31 O +ATOM 2383 N PRO H 96 31.118 -15.204 -7.676 1.00 22.97 N +ATOM 2384 CA PRO H 96 31.859 -15.583 -8.892 1.00 22.92 C +ATOM 2385 C PRO H 96 31.021 -15.475 -10.189 1.00 22.30 C +ATOM 2386 O PRO H 96 30.042 -16.193 -10.382 1.00 21.90 O +ATOM 2387 CB PRO H 96 32.290 -17.018 -8.609 1.00 21.88 C +ATOM 2388 CG PRO H 96 32.359 -17.087 -7.131 1.00 19.33 C +ATOM 2389 CD PRO H 96 31.349 -16.142 -6.566 1.00 18.43 C +ATOM 2390 N PRO H 97 31.405 -14.575 -11.097 1.00 22.25 N +ATOM 2391 CA PRO H 97 30.651 -14.418 -12.347 1.00 28.25 C +ATOM 2392 C PRO H 97 30.840 -15.555 -13.366 1.00 30.26 C +ATOM 2393 O PRO H 97 29.941 -15.825 -14.173 1.00 27.65 O +ATOM 2394 CB PRO H 97 31.147 -13.078 -12.895 1.00 27.98 C +ATOM 2395 CG PRO H 97 32.559 -12.977 -12.380 1.00 25.89 C +ATOM 2396 CD PRO H 97 32.560 -13.661 -11.023 1.00 25.59 C +ATOM 2397 N TYR H 98 32.011 -16.197 -13.317 1.00 31.04 N +ATOM 2398 CA TYR H 98 32.374 -17.290 -14.219 1.00 31.19 C +ATOM 2399 C TYR H 98 32.856 -18.542 -13.510 1.00 32.49 C +ATOM 2400 O TYR H 98 33.450 -18.476 -12.431 1.00 34.28 O +ATOM 2401 CB TYR H 98 33.496 -16.857 -15.161 1.00 33.45 C +ATOM 2402 CG TYR H 98 33.126 -15.717 -16.066 1.00 37.26 C +ATOM 2403 CD1 TYR H 98 32.049 -15.825 -16.948 1.00 34.94 C +ATOM 2404 CD2 TYR H 98 33.838 -14.513 -16.024 1.00 37.15 C +ATOM 2405 CE1 TYR H 98 31.685 -14.766 -17.763 1.00 35.04 C +ATOM 2406 CE2 TYR H 98 33.484 -13.446 -16.836 1.00 35.75 C +ATOM 2407 CZ TYR H 98 32.406 -13.579 -17.703 1.00 36.85 C +ATOM 2408 OH TYR H 98 32.058 -12.526 -18.516 1.00 39.13 O +ATOM 2409 N TYR H 99 32.618 -19.682 -14.151 1.00 33.70 N +ATOM 2410 CA TYR H 99 33.053 -20.975 -13.637 1.00 33.17 C +ATOM 2411 C TYR H 99 34.563 -21.003 -13.787 1.00 32.95 C +ATOM 2412 O TYR H 99 35.090 -20.725 -14.862 1.00 32.44 O +ATOM 2413 CB TYR H 99 32.437 -22.107 -14.461 1.00 34.60 C +ATOM 2414 CG TYR H 99 33.048 -23.470 -14.222 1.00 33.98 C +ATOM 2415 CD1 TYR H 99 34.140 -23.904 -14.959 1.00 35.32 C +ATOM 2416 CD2 TYR H 99 32.515 -24.330 -13.274 1.00 35.44 C +ATOM 2417 CE1 TYR H 99 34.683 -25.161 -14.759 1.00 41.25 C +ATOM 2418 CE2 TYR H 99 33.048 -25.588 -13.065 1.00 38.60 C +ATOM 2419 CZ TYR H 99 34.129 -26.000 -13.810 1.00 39.99 C +ATOM 2420 OH TYR H 99 34.651 -27.257 -13.610 1.00 45.35 O +ATOM 2421 N GLY H 100 35.261 -21.335 -12.710 1.00 32.72 N +ATOM 2422 CA GLY H 100 36.702 -21.372 -12.789 1.00 32.57 C +ATOM 2423 C GLY H 100 37.327 -20.282 -11.951 1.00 32.90 C +ATOM 2424 O GLY H 100 38.538 -20.281 -11.747 1.00 36.29 O +ATOM 2425 N HIS H 100A 36.533 -19.331 -11.476 1.00 32.72 N +ATOM 2426 CA HIS H 100A 37.130 -18.313 -10.633 1.00 35.12 C +ATOM 2427 C HIS H 100A 36.350 -17.892 -9.406 1.00 29.72 C +ATOM 2428 O HIS H 100A 35.162 -18.170 -9.273 1.00 32.54 O +ATOM 2429 CB HIS H 100A 37.523 -17.068 -11.427 1.00 43.95 C +ATOM 2430 CG HIS H 100A 38.644 -16.304 -10.787 1.00 51.54 C +ATOM 2431 ND1 HIS H 100A 38.449 -15.460 -9.712 1.00 54.04 N +ATOM 2432 CD2 HIS H 100A 39.981 -16.337 -11.000 1.00 52.90 C +ATOM 2433 CE1 HIS H 100A 39.615 -15.008 -9.290 1.00 52.73 C +ATOM 2434 NE2 HIS H 100A 40.561 -15.525 -10.054 1.00 56.08 N +ATOM 2435 N GLY H 100B 37.062 -17.221 -8.508 1.00 26.14 N +ATOM 2436 CA GLY H 100B 36.492 -16.759 -7.270 1.00 21.90 C +ATOM 2437 C GLY H 100B 35.641 -15.527 -7.421 1.00 20.38 C +ATOM 2438 O GLY H 100B 35.215 -15.167 -8.526 1.00 20.27 O +ATOM 2439 N ASP H 101 35.385 -14.881 -6.292 1.00 19.71 N +ATOM 2440 CA ASP H 101 34.565 -13.691 -6.287 1.00 20.44 C +ATOM 2441 C ASP H 101 35.348 -12.432 -6.618 1.00 20.72 C +ATOM 2442 O ASP H 101 36.566 -12.472 -6.833 1.00 20.13 O +ATOM 2443 CB ASP H 101 33.839 -13.540 -4.946 1.00 19.26 C +ATOM 2444 CG ASP H 101 34.782 -13.480 -3.746 1.00 23.36 C +ATOM 2445 OD1 ASP H 101 36.019 -13.544 -3.900 1.00 23.45 O +ATOM 2446 OD2 ASP H 101 34.262 -13.362 -2.620 1.00 24.31 O +ATOM 2447 N TYR H 102 34.625 -11.319 -6.678 1.00 19.43 N +ATOM 2448 CA TYR H 102 35.224 -10.037 -7.001 1.00 22.15 C +ATOM 2449 C TYR H 102 34.844 -8.970 -5.992 1.00 18.12 C +ATOM 2450 O TYR H 102 33.672 -8.792 -5.665 1.00 17.77 O +ATOM 2451 CB TYR H 102 34.806 -9.603 -8.414 1.00 23.63 C +ATOM 2452 CG TYR H 102 35.487 -10.408 -9.493 1.00 26.84 C +ATOM 2453 CD1 TYR H 102 36.778 -10.100 -9.901 1.00 27.51 C +ATOM 2454 CD2 TYR H 102 34.866 -11.520 -10.058 1.00 30.27 C +ATOM 2455 CE1 TYR H 102 37.437 -10.881 -10.842 1.00 32.65 C +ATOM 2456 CE2 TYR H 102 35.518 -12.309 -11.002 1.00 32.42 C +ATOM 2457 CZ TYR H 102 36.804 -11.984 -11.388 1.00 33.22 C +ATOM 2458 OH TYR H 102 37.461 -12.758 -12.319 1.00 35.60 O +ATOM 2459 N TRP H 103 35.861 -8.266 -5.506 1.00 18.54 N +ATOM 2460 CA TRP H 103 35.689 -7.201 -4.534 1.00 17.96 C +ATOM 2461 C TRP H 103 36.238 -5.893 -5.099 1.00 20.35 C +ATOM 2462 O TRP H 103 37.258 -5.893 -5.792 1.00 21.54 O +ATOM 2463 CB TRP H 103 36.452 -7.524 -3.252 1.00 15.76 C +ATOM 2464 CG TRP H 103 35.854 -8.592 -2.406 1.00 14.01 C +ATOM 2465 CD1 TRP H 103 35.668 -9.902 -2.743 1.00 12.00 C +ATOM 2466 CD2 TRP H 103 35.446 -8.467 -1.039 1.00 15.05 C +ATOM 2467 NE1 TRP H 103 35.175 -10.602 -1.669 1.00 14.62 N +ATOM 2468 CE2 TRP H 103 35.030 -9.744 -0.609 1.00 17.25 C +ATOM 2469 CE3 TRP H 103 35.396 -7.398 -0.132 1.00 15.34 C +ATOM 2470 CZ2 TRP H 103 34.566 -9.982 0.692 1.00 18.82 C +ATOM 2471 CZ3 TRP H 103 34.937 -7.635 1.159 1.00 16.77 C +ATOM 2472 CH2 TRP H 103 34.528 -8.916 1.558 1.00 18.65 C +ATOM 2473 N GLY H 104 35.562 -4.785 -4.792 1.00 22.91 N +ATOM 2474 CA GLY H 104 36.008 -3.483 -5.251 1.00 23.97 C +ATOM 2475 C GLY H 104 37.220 -3.022 -4.457 1.00 26.75 C +ATOM 2476 O GLY H 104 37.646 -3.702 -3.524 1.00 28.20 O +ATOM 2477 N GLN H 105 37.778 -1.870 -4.820 1.00 26.84 N +ATOM 2478 CA GLN H 105 38.949 -1.340 -4.130 1.00 29.65 C +ATOM 2479 C GLN H 105 38.568 -0.816 -2.749 1.00 27.57 C +ATOM 2480 O GLN H 105 39.428 -0.582 -1.895 1.00 26.91 O +ATOM 2481 CB GLN H 105 39.594 -0.217 -4.964 1.00 34.74 C +ATOM 2482 CG GLN H 105 38.880 1.139 -4.908 1.00 36.59 C +ATOM 2483 CD GLN H 105 37.967 1.393 -6.103 1.00 40.85 C +ATOM 2484 OE1 GLN H 105 37.437 0.457 -6.717 1.00 37.97 O +ATOM 2485 NE2 GLN H 105 37.777 2.668 -6.437 1.00 40.31 N +ATOM 2486 N GLY H 106 37.267 -0.645 -2.544 1.00 25.21 N +ATOM 2487 CA GLY H 106 36.776 -0.142 -1.280 1.00 24.58 C +ATOM 2488 C GLY H 106 36.535 1.352 -1.361 1.00 26.63 C +ATOM 2489 O GLY H 106 37.247 2.067 -2.061 1.00 26.19 O +ATOM 2490 N THR H 107 35.505 1.821 -0.668 1.00 27.44 N +ATOM 2491 CA THR H 107 35.197 3.242 -0.631 1.00 26.88 C +ATOM 2492 C THR H 107 35.168 3.641 0.834 1.00 27.42 C +ATOM 2493 O THR H 107 34.378 3.108 1.608 1.00 27.23 O +ATOM 2494 CB THR H 107 33.835 3.556 -1.260 1.00 24.47 C +ATOM 2495 OG1 THR H 107 33.902 3.344 -2.680 1.00 27.64 O +ATOM 2496 CG2 THR H 107 33.452 5.012 -0.984 1.00 22.66 C +ATOM 2497 N THR H 108 36.049 4.560 1.214 1.00 27.70 N +ATOM 2498 CA THR H 108 36.116 5.024 2.592 1.00 27.47 C +ATOM 2499 C THR H 108 35.119 6.143 2.844 1.00 27.07 C +ATOM 2500 O THR H 108 35.099 7.154 2.130 1.00 27.09 O +ATOM 2501 CB THR H 108 37.527 5.531 2.949 1.00 29.57 C +ATOM 2502 OG1 THR H 108 38.489 4.504 2.675 1.00 30.46 O +ATOM 2503 CG2 THR H 108 37.599 5.909 4.429 1.00 30.68 C +ATOM 2504 N LEU H 109 34.280 5.942 3.858 1.00 25.09 N +ATOM 2505 CA LEU H 109 33.288 6.928 4.232 1.00 24.47 C +ATOM 2506 C LEU H 109 33.603 7.394 5.636 1.00 25.07 C +ATOM 2507 O LEU H 109 33.746 6.588 6.547 1.00 26.47 O +ATOM 2508 CB LEU H 109 31.865 6.346 4.199 1.00 20.33 C +ATOM 2509 CG LEU H 109 30.816 7.253 4.870 1.00 19.50 C +ATOM 2510 CD1 LEU H 109 30.690 8.561 4.097 1.00 15.25 C +ATOM 2511 CD2 LEU H 109 29.484 6.557 4.946 1.00 14.01 C +ATOM 2512 N THR H 110 33.722 8.705 5.798 1.00 26.42 N +ATOM 2513 CA THR H 110 34.001 9.291 7.097 1.00 24.92 C +ATOM 2514 C THR H 110 32.852 10.239 7.446 1.00 25.73 C +ATOM 2515 O THR H 110 32.559 11.167 6.696 1.00 28.07 O +ATOM 2516 CB THR H 110 35.334 10.080 7.076 1.00 23.96 C +ATOM 2517 OG1 THR H 110 36.397 9.230 6.625 1.00 24.94 O +ATOM 2518 CG2 THR H 110 35.671 10.588 8.461 1.00 23.75 C +ATOM 2519 N VAL H 111 32.178 9.981 8.561 1.00 25.45 N +ATOM 2520 CA VAL H 111 31.081 10.831 9.016 1.00 25.13 C +ATOM 2521 C VAL H 111 31.585 11.567 10.263 1.00 27.86 C +ATOM 2522 O VAL H 111 31.860 10.953 11.296 1.00 28.87 O +ATOM 2523 CB VAL H 111 29.808 10.001 9.365 1.00 23.35 C +ATOM 2524 CG1 VAL H 111 28.627 10.921 9.624 1.00 18.88 C +ATOM 2525 CG2 VAL H 111 29.476 9.058 8.225 1.00 20.41 C +ATOM 2526 N SER H 112 31.720 12.887 10.141 1.00 29.94 N +ATOM 2527 CA SER H 112 32.207 13.745 11.220 1.00 29.73 C +ATOM 2528 C SER H 112 31.607 15.140 11.090 1.00 28.21 C +ATOM 2529 O SER H 112 31.280 15.582 9.992 1.00 25.29 O +ATOM 2530 CB SER H 112 33.735 13.851 11.146 1.00 32.33 C +ATOM 2531 OG SER H 112 34.258 14.653 12.193 1.00 33.92 O +ATOM 2532 N SER H 113 31.468 15.838 12.209 1.00 31.51 N +ATOM 2533 CA SER H 113 30.926 17.193 12.172 1.00 35.00 C +ATOM 2534 C SER H 113 32.073 18.186 12.033 1.00 32.54 C +ATOM 2535 O SER H 113 31.877 19.335 11.635 1.00 34.24 O +ATOM 2536 CB SER H 113 30.126 17.486 13.449 1.00 38.02 C +ATOM 2537 OG SER H 113 30.688 16.837 14.575 1.00 41.80 O +ATOM 2538 N ALA H 114 33.277 17.712 12.345 1.00 33.17 N +ATOM 2539 CA ALA H 114 34.495 18.519 12.289 1.00 30.31 C +ATOM 2540 C ALA H 114 34.693 19.288 10.987 1.00 30.16 C +ATOM 2541 O ALA H 114 34.257 18.855 9.924 1.00 33.09 O +ATOM 2542 CB ALA H 114 35.709 17.641 12.555 1.00 24.85 C +ATOM 2543 N LYS H 115 35.353 20.438 11.099 1.00 29.47 N +ATOM 2544 CA LYS H 115 35.663 21.302 9.968 1.00 30.01 C +ATOM 2545 C LYS H 115 37.070 20.963 9.522 1.00 30.87 C +ATOM 2546 O LYS H 115 37.813 20.282 10.233 1.00 31.76 O +ATOM 2547 CB LYS H 115 35.621 22.781 10.373 1.00 23.85 C +ATOM 2548 CG LYS H 115 34.300 23.460 10.086 1.00 25.19 C +ATOM 2549 CD LYS H 115 34.065 24.639 11.010 1.00 22.22 C +ATOM 2550 CE LYS H 115 34.943 25.803 10.638 1.00 19.24 C +ATOM 2551 NZ LYS H 115 34.693 27.004 11.473 1.00 19.04 N +ATOM 2552 N THR H 116 37.427 21.444 8.342 1.00 32.28 N +ATOM 2553 CA THR H 116 38.747 21.216 7.791 1.00 36.91 C +ATOM 2554 C THR H 116 39.716 22.042 8.626 1.00 37.81 C +ATOM 2555 O THR H 116 39.548 23.257 8.761 1.00 38.97 O +ATOM 2556 CB THR H 116 38.784 21.646 6.300 1.00 38.03 C +ATOM 2557 OG1 THR H 116 38.305 20.563 5.490 1.00 37.23 O +ATOM 2558 CG2 THR H 116 40.187 22.011 5.870 1.00 35.78 C +ATOM 2559 N THR H 117 40.709 21.371 9.204 1.00 39.22 N +ATOM 2560 CA THR H 117 41.709 22.026 10.043 1.00 38.94 C +ATOM 2561 C THR H 117 43.113 21.550 9.679 1.00 41.34 C +ATOM 2562 O THR H 117 43.347 20.355 9.505 1.00 41.17 O +ATOM 2563 CB THR H 117 41.480 21.715 11.533 1.00 35.71 C +ATOM 2564 OG1 THR H 117 40.083 21.761 11.828 1.00 31.18 O +ATOM 2565 CG2 THR H 117 42.194 22.727 12.394 1.00 36.97 C +ATOM 2566 N PRO H 118 44.065 22.486 9.549 1.00 44.15 N +ATOM 2567 CA PRO H 118 45.442 22.111 9.203 1.00 45.01 C +ATOM 2568 C PRO H 118 46.206 21.545 10.403 1.00 44.59 C +ATOM 2569 O PRO H 118 45.987 21.962 11.539 1.00 44.16 O +ATOM 2570 CB PRO H 118 46.055 23.417 8.701 1.00 45.77 C +ATOM 2571 CG PRO H 118 45.294 24.489 9.421 1.00 48.15 C +ATOM 2572 CD PRO H 118 43.904 23.945 9.698 1.00 45.80 C +ATOM 2573 N PRO H 119 47.115 20.587 10.160 1.00 43.14 N +ATOM 2574 CA PRO H 119 47.881 20.005 11.258 1.00 42.12 C +ATOM 2575 C PRO H 119 48.974 20.957 11.682 1.00 43.73 C +ATOM 2576 O PRO H 119 49.506 21.696 10.858 1.00 46.83 O +ATOM 2577 CB PRO H 119 48.463 18.739 10.652 1.00 40.19 C +ATOM 2578 CG PRO H 119 48.655 19.093 9.229 1.00 40.32 C +ATOM 2579 CD PRO H 119 47.498 19.997 8.867 1.00 42.63 C +ATOM 2580 N SER H 120 49.290 20.944 12.974 1.00 44.44 N +ATOM 2581 CA SER H 120 50.349 21.768 13.535 1.00 40.94 C +ATOM 2582 C SER H 120 51.493 20.791 13.727 1.00 43.47 C +ATOM 2583 O SER H 120 51.339 19.786 14.421 1.00 44.70 O +ATOM 2584 CB SER H 120 49.922 22.343 14.877 1.00 39.16 C +ATOM 2585 OG SER H 120 48.549 22.674 14.861 1.00 42.45 O +ATOM 2586 N VAL H 121 52.630 21.073 13.097 1.00 44.44 N +ATOM 2587 CA VAL H 121 53.790 20.190 13.170 1.00 44.74 C +ATOM 2588 C VAL H 121 54.858 20.721 14.110 1.00 44.27 C +ATOM 2589 O VAL H 121 55.282 21.868 13.996 1.00 44.78 O +ATOM 2590 CB VAL H 121 54.423 19.978 11.764 1.00 44.09 C +ATOM 2591 CG1 VAL H 121 55.312 18.749 11.768 1.00 42.36 C +ATOM 2592 CG2 VAL H 121 53.332 19.818 10.718 1.00 43.41 C +ATOM 2593 N TYR H 122 55.284 19.875 15.044 1.00 43.91 N +ATOM 2594 CA TYR H 122 56.310 20.244 16.007 1.00 41.47 C +ATOM 2595 C TYR H 122 57.482 19.283 15.913 1.00 41.81 C +ATOM 2596 O TYR H 122 57.310 18.087 15.670 1.00 41.37 O +ATOM 2597 CB TYR H 122 55.744 20.231 17.422 1.00 40.07 C +ATOM 2598 CG TYR H 122 54.562 21.149 17.619 1.00 38.42 C +ATOM 2599 CD1 TYR H 122 54.691 22.529 17.483 1.00 40.41 C +ATOM 2600 CD2 TYR H 122 53.313 20.637 17.956 1.00 40.60 C +ATOM 2601 CE1 TYR H 122 53.596 23.381 17.683 1.00 42.12 C +ATOM 2602 CE2 TYR H 122 52.212 21.477 18.159 1.00 41.97 C +ATOM 2603 CZ TYR H 122 52.358 22.845 18.024 1.00 42.63 C +ATOM 2604 OH TYR H 122 51.266 23.665 18.238 1.00 43.23 O +ATOM 2605 N PRO H 123 58.701 19.802 16.102 1.00 43.16 N +ATOM 2606 CA PRO H 123 59.899 18.965 16.031 1.00 44.39 C +ATOM 2607 C PRO H 123 60.235 18.273 17.359 1.00 44.66 C +ATOM 2608 O PRO H 123 60.067 18.843 18.449 1.00 40.89 O +ATOM 2609 CB PRO H 123 60.981 19.948 15.599 1.00 42.83 C +ATOM 2610 CG PRO H 123 60.533 21.268 16.207 1.00 44.37 C +ATOM 2611 CD PRO H 123 59.030 21.209 16.398 1.00 43.08 C +ATOM 2612 N LEU H 124 60.707 17.036 17.257 1.00 44.68 N +ATOM 2613 CA LEU H 124 61.075 16.275 18.438 1.00 45.88 C +ATOM 2614 C LEU H 124 62.554 15.919 18.375 1.00 48.03 C +ATOM 2615 O LEU H 124 62.954 15.022 17.632 1.00 48.14 O +ATOM 2616 CB LEU H 124 60.223 15.003 18.537 1.00 41.57 C +ATOM 2617 CG LEU H 124 58.697 15.184 18.483 1.00 38.42 C +ATOM 2618 CD1 LEU H 124 58.021 13.856 18.746 1.00 35.24 C +ATOM 2619 CD2 LEU H 124 58.244 16.215 19.502 1.00 36.71 C +ATOM 2620 N ALA H 125 63.360 16.643 19.149 1.00 53.23 N +ATOM 2621 CA ALA H 125 64.805 16.410 19.212 1.00 58.16 C +ATOM 2622 C ALA H 125 65.254 16.242 20.671 1.00 61.34 C +ATOM 2623 O ALA H 125 64.625 16.777 21.591 1.00 61.23 O +ATOM 2624 CB ALA H 125 65.555 17.567 18.559 1.00 56.38 C +ATOM 2625 N PRO H 126 66.357 15.498 20.896 1.00 66.04 N +ATOM 2626 CA PRO H 126 66.914 15.238 22.236 1.00 69.53 C +ATOM 2627 C PRO H 126 67.153 16.494 23.082 1.00 73.12 C +ATOM 2628 O PRO H 126 67.584 17.524 22.568 1.00 75.77 O +ATOM 2629 CB PRO H 126 68.217 14.489 21.948 1.00 68.81 C +ATOM 2630 CG PRO H 126 68.040 13.909 20.579 1.00 66.38 C +ATOM 2631 CD PRO H 126 67.156 14.860 19.832 1.00 66.30 C +ATOM 2632 N GLY H 127 66.888 16.397 24.382 1.00 76.15 N +ATOM 2633 CA GLY H 127 67.071 17.540 25.266 1.00 79.70 C +ATOM 2634 C GLY H 127 68.481 17.805 25.782 1.00 80.80 C +ATOM 2635 O GLY H 127 69.129 16.922 26.346 1.00 82.61 O +ATOM 2636 N SER H 128 68.944 19.039 25.595 0.00 99.00 N +ATOM 2637 CA SER H 128 70.272 19.456 26.040 0.00 99.00 C +ATOM 2638 C SER H 128 71.278 18.312 25.979 0.00 99.00 C +ATOM 2639 O SER H 128 71.941 18.109 24.962 0.00 99.00 O +ATOM 2640 CB SER H 128 70.198 20.001 27.469 0.00 99.00 C +ATOM 2641 OG SER H 128 69.982 21.401 27.471 0.00 99.00 O +ATOM 2642 N ALA H 129 71.385 17.568 27.076 0.00 99.00 N +ATOM 2643 CA ALA H 129 72.301 16.437 27.151 0.00 99.00 C +ATOM 2644 C ALA H 129 71.936 15.395 26.099 0.00 99.00 C +ATOM 2645 O ALA H 129 70.936 15.533 25.394 0.00 99.00 O +ATOM 2646 CB ALA H 129 72.248 15.817 28.542 0.00 99.00 C +ATOM 2647 N ALA H 130 72.752 14.352 25.996 0.00 99.00 N +ATOM 2648 CA ALA H 130 72.513 13.288 25.029 0.00 99.00 C +ATOM 2649 C ALA H 130 73.446 12.116 25.297 0.00 99.00 C +ATOM 2650 O ALA H 130 74.623 12.307 25.604 0.00 99.00 O +ATOM 2651 CB ALA H 130 72.723 13.812 23.614 0.00 99.00 C +ATOM 2652 N GLN H 133 72.918 10.902 25.180 0.00 99.00 N +ATOM 2653 CA GLN H 133 73.717 9.707 25.414 0.00 99.00 C +ATOM 2654 C GLN H 133 73.142 8.475 24.724 0.00 99.00 C +ATOM 2655 O GLN H 133 72.075 7.983 25.091 0.00 99.00 O +ATOM 2656 CB GLN H 133 73.839 9.440 26.916 0.00 99.00 C +ATOM 2657 CG GLN H 133 75.213 8.952 27.351 0.00 99.00 C +ATOM 2658 CD GLN H 133 75.846 8.012 26.343 0.00 99.00 C +ATOM 2659 OE1 GLN H 133 75.552 6.816 26.322 0.00 99.00 O +ATOM 2660 NE2 GLN H 133 76.720 8.549 25.500 0.00 99.00 N +ATOM 2661 N THR H 134 73.863 7.986 23.721 0.00 99.00 N +ATOM 2662 CA THR H 134 73.457 6.805 22.968 0.00 99.00 C +ATOM 2663 C THR H 134 74.660 6.269 22.202 0.00 99.00 C +ATOM 2664 O THR H 134 74.865 5.058 22.115 0.00 99.00 O +ATOM 2665 CB THR H 134 72.341 7.130 21.957 0.00 99.00 C +ATOM 2666 OG1 THR H 134 71.218 7.697 22.644 0.00 99.00 O +ATOM 2667 CG2 THR H 134 71.901 5.865 21.236 0.00 99.00 C +ATOM 2668 N ASN H 135 75.448 7.186 21.650 0.00 99.00 N +ATOM 2669 CA ASN H 135 76.643 6.837 20.892 0.00 99.00 C +ATOM 2670 C ASN H 135 76.325 6.069 19.613 0.00 99.00 C +ATOM 2671 O ASN H 135 75.474 5.179 19.603 0.00 99.00 O +ATOM 2672 CB ASN H 135 77.597 6.011 21.761 0.00 99.00 C +ATOM 2673 CG ASN H 135 79.055 6.263 21.430 0.00 99.00 C +ATOM 2674 OD1 ASN H 135 79.374 7.029 20.520 0.00 99.00 O +ATOM 2675 ND2 ASN H 135 79.949 5.619 22.170 0.00 99.00 N +ATOM 2676 N SER H 136 77.018 6.429 18.537 0.00 99.00 N +ATOM 2677 CA SER H 136 76.849 5.789 17.237 0.00 99.00 C +ATOM 2678 C SER H 136 75.520 6.097 16.551 0.00 99.00 C +ATOM 2679 O SER H 136 75.469 6.222 15.328 0.00 99.00 O +ATOM 2680 CB SER H 136 77.014 4.271 17.371 0.00 99.00 C +ATOM 2681 OG SER H 136 75.757 3.618 17.377 0.00 99.00 O +ATOM 2682 N MET H 137 74.447 6.219 17.328 1.00 63.33 N +ATOM 2683 CA MET H 137 73.133 6.502 16.748 1.00 62.50 C +ATOM 2684 C MET H 137 72.243 7.408 17.598 1.00 62.74 C +ATOM 2685 O MET H 137 72.398 7.480 18.824 1.00 65.47 O +ATOM 2686 CB MET H 137 72.386 5.198 16.479 1.00 64.64 C +ATOM 2687 CG MET H 137 73.136 4.223 15.604 1.00 69.12 C +ATOM 2688 SD MET H 137 72.554 4.270 13.907 1.00 75.16 S +ATOM 2689 CE MET H 137 71.007 3.356 14.020 1.00 74.07 C +ATOM 2690 N VAL H 138 71.301 8.082 16.930 1.00 59.39 N +ATOM 2691 CA VAL H 138 70.356 9.004 17.573 1.00 54.94 C +ATOM 2692 C VAL H 138 68.949 8.951 16.945 1.00 53.18 C +ATOM 2693 O VAL H 138 68.793 8.696 15.750 1.00 51.57 O +ATOM 2694 CB VAL H 138 70.872 10.458 17.500 1.00 52.46 C +ATOM 2695 CG1 VAL H 138 70.912 10.925 16.048 1.00 51.16 C +ATOM 2696 CG2 VAL H 138 69.993 11.365 18.344 1.00 50.84 C +ATOM 2697 N THR H 139 67.929 9.211 17.757 1.00 51.93 N +ATOM 2698 CA THR H 139 66.540 9.173 17.296 1.00 49.67 C +ATOM 2699 C THR H 139 65.835 10.522 17.418 1.00 49.16 C +ATOM 2700 O THR H 139 65.876 11.164 18.476 1.00 48.47 O +ATOM 2701 CB THR H 139 65.721 8.117 18.091 1.00 48.30 C +ATOM 2702 OG1 THR H 139 66.058 6.807 17.620 1.00 48.22 O +ATOM 2703 CG2 THR H 139 64.215 8.346 17.925 1.00 46.34 C +ATOM 2704 N LEU H 140 65.175 10.931 16.333 1.00 46.43 N +ATOM 2705 CA LEU H 140 64.451 12.199 16.294 1.00 42.59 C +ATOM 2706 C LEU H 140 63.002 11.985 15.863 1.00 40.08 C +ATOM 2707 O LEU H 140 62.689 11.009 15.187 1.00 41.04 O +ATOM 2708 CB LEU H 140 65.155 13.156 15.336 1.00 42.75 C +ATOM 2709 CG LEU H 140 66.679 13.182 15.507 1.00 43.71 C +ATOM 2710 CD1 LEU H 140 67.346 13.332 14.143 1.00 42.90 C +ATOM 2711 CD2 LEU H 140 67.076 14.321 16.449 1.00 39.30 C +ATOM 2712 N GLY H 141 62.118 12.898 16.249 1.00 36.59 N +ATOM 2713 CA GLY H 141 60.723 12.739 15.884 1.00 38.32 C +ATOM 2714 C GLY H 141 59.986 13.980 15.419 1.00 41.78 C +ATOM 2715 O GLY H 141 60.557 15.072 15.295 1.00 43.77 O +ATOM 2716 N CYS H 142 58.693 13.806 15.166 1.00 41.06 N +ATOM 2717 CA CYS H 142 57.846 14.893 14.708 1.00 41.65 C +ATOM 2718 C CYS H 142 56.445 14.679 15.250 1.00 36.61 C +ATOM 2719 O CYS H 142 55.937 13.564 15.217 1.00 33.80 O +ATOM 2720 CB CYS H 142 57.797 14.896 13.178 1.00 53.04 C +ATOM 2721 SG CYS H 142 58.132 16.484 12.340 1.00 66.73 S +ATOM 2722 N LEU H 143 55.826 15.750 15.735 1.00 34.83 N +ATOM 2723 CA LEU H 143 54.469 15.689 16.273 1.00 34.99 C +ATOM 2724 C LEU H 143 53.474 16.427 15.377 1.00 35.63 C +ATOM 2725 O LEU H 143 53.547 17.645 15.245 1.00 36.23 O +ATOM 2726 CB LEU H 143 54.426 16.308 17.676 1.00 36.39 C +ATOM 2727 CG LEU H 143 53.067 16.417 18.390 1.00 36.07 C +ATOM 2728 CD1 LEU H 143 52.557 15.026 18.742 1.00 36.39 C +ATOM 2729 CD2 LEU H 143 53.203 17.257 19.649 1.00 33.66 C +ATOM 2730 N VAL H 144 52.548 15.687 14.769 1.00 35.92 N +ATOM 2731 CA VAL H 144 51.522 16.271 13.896 1.00 36.89 C +ATOM 2732 C VAL H 144 50.206 16.251 14.675 1.00 35.79 C +ATOM 2733 O VAL H 144 49.589 15.200 14.840 1.00 36.92 O +ATOM 2734 CB VAL H 144 51.377 15.456 12.593 1.00 37.50 C +ATOM 2735 CG1 VAL H 144 50.834 16.347 11.484 1.00 38.70 C +ATOM 2736 CG2 VAL H 144 52.736 14.865 12.192 1.00 36.96 C +ATOM 2737 N LYS H 145 49.761 17.419 15.127 1.00 34.81 N +ATOM 2738 CA LYS H 145 48.576 17.479 15.967 1.00 34.39 C +ATOM 2739 C LYS H 145 47.409 18.378 15.578 1.00 34.11 C +ATOM 2740 O LYS H 145 47.595 19.457 15.027 1.00 36.40 O +ATOM 2741 CB LYS H 145 49.034 17.839 17.389 1.00 36.89 C +ATOM 2742 CG LYS H 145 47.923 17.999 18.414 1.00 37.92 C +ATOM 2743 CD LYS H 145 48.493 18.123 19.815 1.00 41.37 C +ATOM 2744 CE LYS H 145 47.620 17.388 20.820 1.00 45.83 C +ATOM 2745 NZ LYS H 145 48.146 16.020 21.129 1.00 50.89 N +ATOM 2746 N GLY H 146 46.203 17.909 15.903 1.00 33.76 N +ATOM 2747 CA GLY H 146 44.973 18.652 15.664 1.00 31.81 C +ATOM 2748 C GLY H 146 44.560 18.924 14.237 1.00 30.58 C +ATOM 2749 O GLY H 146 44.232 20.062 13.891 1.00 29.21 O +ATOM 2750 N TYR H 147 44.552 17.877 13.417 1.00 32.48 N +ATOM 2751 CA TYR H 147 44.184 18.012 12.014 1.00 31.14 C +ATOM 2752 C TYR H 147 42.962 17.193 11.590 1.00 32.69 C +ATOM 2753 O TYR H 147 42.657 16.146 12.171 1.00 31.61 O +ATOM 2754 CB TYR H 147 45.386 17.656 11.124 1.00 28.84 C +ATOM 2755 CG TYR H 147 45.764 16.187 11.098 1.00 24.54 C +ATOM 2756 CD1 TYR H 147 45.136 15.306 10.228 1.00 26.05 C +ATOM 2757 CD2 TYR H 147 46.768 15.686 11.925 1.00 24.10 C +ATOM 2758 CE1 TYR H 147 45.490 13.961 10.179 1.00 25.03 C +ATOM 2759 CE2 TYR H 147 47.133 14.342 11.885 1.00 23.50 C +ATOM 2760 CZ TYR H 147 46.486 13.487 11.008 1.00 26.37 C +ATOM 2761 OH TYR H 147 46.821 12.154 10.958 1.00 30.63 O +ATOM 2762 N PHE H 148 42.263 17.702 10.574 1.00 33.28 N +ATOM 2763 CA PHE H 148 41.088 17.051 10.010 1.00 33.55 C +ATOM 2764 C PHE H 148 40.850 17.573 8.596 1.00 35.25 C +ATOM 2765 O PHE H 148 41.007 18.767 8.329 1.00 34.80 O +ATOM 2766 CB PHE H 148 39.837 17.321 10.850 1.00 30.32 C +ATOM 2767 CG PHE H 148 38.613 16.576 10.367 1.00 32.76 C +ATOM 2768 CD1 PHE H 148 37.808 17.104 9.356 1.00 34.21 C +ATOM 2769 CD2 PHE H 148 38.283 15.330 10.897 1.00 31.51 C +ATOM 2770 CE1 PHE H 148 36.694 16.399 8.877 1.00 31.65 C +ATOM 2771 CE2 PHE H 148 37.168 14.616 10.427 1.00 31.13 C +ATOM 2772 CZ PHE H 148 36.377 15.154 9.415 1.00 29.74 C +ATOM 2773 N PRO H 149 40.505 16.672 7.661 1.00 38.04 N +ATOM 2774 CA PRO H 149 40.344 15.235 7.883 1.00 40.29 C +ATOM 2775 C PRO H 149 41.627 14.517 7.511 1.00 43.98 C +ATOM 2776 O PRO H 149 42.624 15.150 7.172 1.00 45.27 O +ATOM 2777 CB PRO H 149 39.205 14.853 6.945 1.00 40.49 C +ATOM 2778 CG PRO H 149 39.158 15.964 5.903 1.00 40.85 C +ATOM 2779 CD PRO H 149 40.155 17.029 6.280 1.00 38.84 C +ATOM 2780 N GLU H 150 41.604 13.194 7.581 1.00 46.96 N +ATOM 2781 CA GLU H 150 42.776 12.423 7.207 1.00 49.87 C +ATOM 2782 C GLU H 150 42.990 12.593 5.700 1.00 53.06 C +ATOM 2783 O GLU H 150 42.055 12.895 4.952 1.00 54.48 O +ATOM 2784 CB GLU H 150 42.567 10.940 7.528 1.00 48.96 C +ATOM 2785 CG GLU H 150 42.766 10.585 8.984 1.00 50.22 C +ATOM 2786 CD GLU H 150 43.888 9.586 9.198 1.00 52.07 C +ATOM 2787 OE1 GLU H 150 44.997 9.816 8.667 1.00 53.04 O +ATOM 2788 OE2 GLU H 150 43.661 8.572 9.900 1.00 51.71 O +ATOM 2789 N PRO H 151 44.224 12.383 5.233 1.00 53.93 N +ATOM 2790 CA PRO H 151 45.385 12.013 6.035 1.00 52.77 C +ATOM 2791 C PRO H 151 46.411 13.137 5.994 1.00 51.51 C +ATOM 2792 O PRO H 151 46.133 14.227 5.492 1.00 48.98 O +ATOM 2793 CB PRO H 151 45.898 10.781 5.310 1.00 53.80 C +ATOM 2794 CG PRO H 151 45.493 11.075 3.792 1.00 57.11 C +ATOM 2795 CD PRO H 151 44.567 12.301 3.807 1.00 55.10 C +ATOM 2796 N VAL H 152 47.586 12.861 6.551 1.00 51.20 N +ATOM 2797 CA VAL H 152 48.705 13.795 6.523 1.00 50.80 C +ATOM 2798 C VAL H 152 49.823 12.961 5.921 1.00 52.64 C +ATOM 2799 O VAL H 152 49.830 11.736 6.052 1.00 52.59 O +ATOM 2800 CB VAL H 152 49.163 14.261 7.917 1.00 47.56 C +ATOM 2801 CG1 VAL H 152 48.361 15.462 8.347 1.00 46.40 C +ATOM 2802 CG2 VAL H 152 49.055 13.127 8.911 1.00 43.44 C +ATOM 2803 N THR H 153 50.759 13.612 5.250 1.00 54.50 N +ATOM 2804 CA THR H 153 51.854 12.880 4.639 1.00 58.91 C +ATOM 2805 C THR H 153 53.175 13.273 5.257 1.00 56.76 C +ATOM 2806 O THR H 153 53.624 14.414 5.127 1.00 54.32 O +ATOM 2807 CB THR H 153 51.920 13.127 3.114 1.00 64.31 C +ATOM 2808 OG1 THR H 153 50.669 12.762 2.518 1.00 66.17 O +ATOM 2809 CG2 THR H 153 53.035 12.292 2.482 1.00 66.12 C +ATOM 2810 N VAL H 154 53.792 12.316 5.938 1.00 57.24 N +ATOM 2811 CA VAL H 154 55.073 12.569 6.573 1.00 59.26 C +ATOM 2812 C VAL H 154 56.184 11.761 5.917 1.00 58.61 C +ATOM 2813 O VAL H 154 56.043 10.563 5.646 1.00 58.11 O +ATOM 2814 CB VAL H 154 55.047 12.247 8.096 1.00 57.58 C +ATOM 2815 CG1 VAL H 154 56.287 12.842 8.779 1.00 53.54 C +ATOM 2816 CG2 VAL H 154 53.778 12.803 8.726 1.00 55.35 C +ATOM 2817 N THR H 156 57.282 12.455 5.649 1.00 57.11 N +ATOM 2818 CA THR H 156 58.463 11.868 5.048 1.00 53.92 C +ATOM 2819 C THR H 156 59.627 12.622 5.669 1.00 53.07 C +ATOM 2820 O THR H 156 59.466 13.757 6.136 1.00 49.40 O +ATOM 2821 CB THR H 156 58.491 12.068 3.517 1.00 52.81 C +ATOM 2822 OG1 THR H 156 58.335 13.459 3.212 1.00 49.09 O +ATOM 2823 CG2 THR H 156 57.373 11.280 2.854 1.00 52.47 C +ATOM 2824 N TRP H 157 60.791 11.984 5.693 1.00 54.47 N +ATOM 2825 CA TRP H 157 61.980 12.607 6.255 1.00 55.65 C +ATOM 2826 C TRP H 157 62.949 12.912 5.118 1.00 57.38 C +ATOM 2827 O TRP H 157 63.498 12.005 4.497 1.00 57.04 O +ATOM 2828 CB TRP H 157 62.621 11.675 7.293 1.00 53.15 C +ATOM 2829 CG TRP H 157 61.851 11.619 8.608 1.00 49.46 C +ATOM 2830 CD1 TRP H 157 60.936 10.670 8.989 1.00 46.79 C +ATOM 2831 CD2 TRP H 157 61.915 12.567 9.687 1.00 43.43 C +ATOM 2832 NE1 TRP H 157 60.430 10.973 10.231 1.00 44.99 N +ATOM 2833 CE2 TRP H 157 61.011 12.131 10.681 1.00 43.34 C +ATOM 2834 CE3 TRP H 157 62.645 13.741 9.906 1.00 37.83 C +ATOM 2835 CZ2 TRP H 157 60.820 12.830 11.879 1.00 40.66 C +ATOM 2836 CZ3 TRP H 157 62.454 14.435 11.096 1.00 39.65 C +ATOM 2837 CH2 TRP H 157 61.548 13.977 12.067 1.00 39.23 C +ATOM 2838 N ASN H 162 63.138 14.199 4.843 1.00 60.22 N +ATOM 2839 CA ASN H 162 64.019 14.637 3.768 1.00 62.94 C +ATOM 2840 C ASN H 162 63.573 14.075 2.425 1.00 64.03 C +ATOM 2841 O ASN H 162 64.328 13.378 1.755 1.00 65.29 O +ATOM 2842 CB ASN H 162 65.455 14.208 4.054 1.00 63.91 C +ATOM 2843 CG ASN H 162 66.105 15.062 5.107 1.00 63.56 C +ATOM 2844 OD1 ASN H 162 65.741 16.223 5.282 1.00 60.60 O +ATOM 2845 ND2 ASN H 162 67.070 14.494 5.820 1.00 63.88 N +ATOM 2846 N SER H 163 62.338 14.381 2.045 1.00 66.75 N +ATOM 2847 CA SER H 163 61.763 13.932 0.779 1.00 68.58 C +ATOM 2848 C SER H 163 62.125 12.503 0.393 1.00 71.16 C +ATOM 2849 O SER H 163 62.746 12.275 -0.644 1.00 72.64 O +ATOM 2850 CB SER H 163 62.187 14.876 -0.346 1.00 66.00 C +ATOM 2851 OG SER H 163 62.103 16.226 0.068 1.00 67.24 O +ATOM 2852 N GLY H 164 61.737 11.541 1.224 1.00 73.30 N +ATOM 2853 CA GLY H 164 62.030 10.149 0.927 1.00 73.58 C +ATOM 2854 C GLY H 164 63.493 9.756 1.046 1.00 73.95 C +ATOM 2855 O GLY H 164 63.853 8.619 0.740 1.00 72.58 O +ATOM 2856 N SER H 165 64.338 10.689 1.478 1.00 75.44 N +ATOM 2857 CA SER H 165 65.764 10.411 1.647 1.00 76.03 C +ATOM 2858 C SER H 165 65.930 9.314 2.699 1.00 75.25 C +ATOM 2859 O SER H 165 66.643 8.329 2.491 1.00 75.99 O +ATOM 2860 CB SER H 165 66.509 11.672 2.104 1.00 77.14 C +ATOM 2861 OG SER H 165 66.991 12.418 1.000 1.00 78.64 O +ATOM 2862 N LEU H 166 65.260 9.497 3.832 1.00 72.89 N +ATOM 2863 CA LEU H 166 65.308 8.539 4.925 1.00 68.21 C +ATOM 2864 C LEU H 166 64.123 7.590 4.808 1.00 68.34 C +ATOM 2865 O LEU H 166 62.984 7.963 5.089 1.00 69.02 O +ATOM 2866 CB LEU H 166 65.265 9.277 6.263 1.00 63.64 C +ATOM 2867 CG LEU H 166 66.494 10.135 6.556 1.00 57.77 C +ATOM 2868 CD1 LEU H 166 66.094 11.540 6.959 1.00 54.78 C +ATOM 2869 CD2 LEU H 166 67.280 9.473 7.649 1.00 61.18 C +ATOM 2870 N SER H 167 64.396 6.367 4.370 1.00 69.00 N +ATOM 2871 CA SER H 167 63.354 5.360 4.219 1.00 70.73 C +ATOM 2872 C SER H 167 63.707 4.127 5.050 1.00 69.70 C +ATOM 2873 O SER H 167 63.184 3.033 4.831 1.00 70.40 O +ATOM 2874 CB SER H 167 63.193 4.983 2.742 1.00 70.02 C +ATOM 2875 OG SER H 167 64.333 4.296 2.263 1.00 75.46 O +ATOM 2876 N SER H 168 64.602 4.322 6.011 1.00 68.51 N +ATOM 2877 CA SER H 168 65.032 3.251 6.898 1.00 66.96 C +ATOM 2878 C SER H 168 65.089 3.793 8.326 1.00 64.67 C +ATOM 2879 O SER H 168 65.466 4.949 8.548 1.00 64.62 O +ATOM 2880 CB SER H 168 66.403 2.730 6.461 1.00 67.37 C +ATOM 2881 OG SER H 168 66.431 2.507 5.059 1.00 66.33 O +ATOM 2882 N GLY H 169 64.703 2.962 9.290 1.00 61.27 N +ATOM 2883 CA GLY H 169 64.711 3.399 10.673 1.00 57.99 C +ATOM 2884 C GLY H 169 63.680 4.486 10.921 1.00 57.72 C +ATOM 2885 O GLY H 169 63.869 5.351 11.774 1.00 57.41 O +ATOM 2886 N VAL H 171 62.586 4.449 10.164 1.00 57.89 N +ATOM 2887 CA VAL H 171 61.514 5.433 10.308 1.00 55.95 C +ATOM 2888 C VAL H 171 60.256 4.799 10.900 1.00 54.55 C +ATOM 2889 O VAL H 171 59.850 3.694 10.519 1.00 52.39 O +ATOM 2890 CB VAL H 171 61.157 6.096 8.947 1.00 56.22 C +ATOM 2891 CG1 VAL H 171 59.699 6.555 8.937 1.00 54.98 C +ATOM 2892 CG2 VAL H 171 62.073 7.285 8.699 1.00 56.92 C +ATOM 2893 N HIS H 172 59.648 5.511 11.842 1.00 53.82 N +ATOM 2894 CA HIS H 172 58.440 5.038 12.497 1.00 51.07 C +ATOM 2895 C HIS H 172 57.385 6.130 12.560 1.00 49.99 C +ATOM 2896 O HIS H 172 57.445 7.010 13.419 1.00 51.69 O +ATOM 2897 CB HIS H 172 58.758 4.556 13.915 1.00 48.53 C +ATOM 2898 CG HIS H 172 59.558 3.292 13.952 1.00 48.92 C +ATOM 2899 ND1 HIS H 172 59.203 2.167 13.237 1.00 49.93 N +ATOM 2900 CD2 HIS H 172 60.705 2.980 14.600 1.00 46.74 C +ATOM 2901 CE1 HIS H 172 60.099 1.217 13.444 1.00 47.45 C +ATOM 2902 NE2 HIS H 172 61.020 1.685 14.266 1.00 45.42 N +ATOM 2903 N THR H 173 56.437 6.083 11.626 1.00 48.36 N +ATOM 2904 CA THR H 173 55.339 7.040 11.604 1.00 44.40 C +ATOM 2905 C THR H 173 54.165 6.247 12.149 1.00 42.17 C +ATOM 2906 O THR H 173 53.727 5.255 11.553 1.00 40.54 O +ATOM 2907 CB THR H 173 55.029 7.530 10.190 1.00 44.96 C +ATOM 2908 OG1 THR H 173 55.960 8.557 9.831 1.00 42.44 O +ATOM 2909 CG2 THR H 173 53.622 8.098 10.128 1.00 45.07 C +ATOM 2910 N PHE H 174 53.677 6.688 13.300 1.00 39.20 N +ATOM 2911 CA PHE H 174 52.596 6.014 13.993 1.00 35.34 C +ATOM 2912 C PHE H 174 51.189 6.358 13.516 1.00 34.00 C +ATOM 2913 O PHE H 174 50.925 7.467 13.038 1.00 34.26 O +ATOM 2914 CB PHE H 174 52.738 6.279 15.499 1.00 32.95 C +ATOM 2915 CG PHE H 174 54.068 5.844 16.060 1.00 31.36 C +ATOM 2916 CD1 PHE H 174 54.256 4.540 16.506 1.00 28.42 C +ATOM 2917 CD2 PHE H 174 55.148 6.719 16.088 1.00 29.44 C +ATOM 2918 CE1 PHE H 174 55.494 4.113 16.965 1.00 26.43 C +ATOM 2919 CE2 PHE H 174 56.388 6.300 16.544 1.00 28.43 C +ATOM 2920 CZ PHE H 174 56.561 4.991 16.982 1.00 27.82 C +ATOM 2921 N PRO H 175 50.266 5.391 13.622 1.00 32.00 N +ATOM 2922 CA PRO H 175 48.875 5.594 13.208 1.00 33.06 C +ATOM 2923 C PRO H 175 48.233 6.754 13.984 1.00 36.20 C +ATOM 2924 O PRO H 175 48.318 6.814 15.213 1.00 38.29 O +ATOM 2925 CB PRO H 175 48.210 4.254 13.520 1.00 32.42 C +ATOM 2926 CG PRO H 175 49.331 3.272 13.602 1.00 29.82 C +ATOM 2927 CD PRO H 175 50.498 4.027 14.131 1.00 30.52 C +ATOM 2928 N ALA H 176 47.595 7.676 13.268 1.00 36.77 N +ATOM 2929 CA ALA H 176 46.962 8.825 13.905 1.00 38.45 C +ATOM 2930 C ALA H 176 45.923 8.412 14.944 1.00 41.21 C +ATOM 2931 O ALA H 176 45.484 7.263 14.977 1.00 43.12 O +ATOM 2932 CB ALA H 176 46.320 9.716 12.846 1.00 35.01 C +ATOM 2933 N VAL H 177 45.546 9.349 15.809 1.00 42.66 N +ATOM 2934 CA VAL H 177 44.541 9.080 16.833 1.00 42.46 C +ATOM 2935 C VAL H 177 43.529 10.220 16.914 1.00 42.87 C +ATOM 2936 O VAL H 177 43.882 11.395 16.800 1.00 40.93 O +ATOM 2937 CB VAL H 177 45.182 8.876 18.212 1.00 43.36 C +ATOM 2938 CG1 VAL H 177 44.115 8.472 19.226 1.00 43.01 C +ATOM 2939 CG2 VAL H 177 46.263 7.808 18.122 1.00 41.40 C +ATOM 2940 N LEU H 178 42.263 9.865 17.102 1.00 43.69 N +ATOM 2941 CA LEU H 178 41.205 10.860 17.175 1.00 45.36 C +ATOM 2942 C LEU H 178 40.962 11.321 18.603 1.00 47.77 C +ATOM 2943 O LEU H 178 40.551 10.540 19.459 1.00 48.19 O +ATOM 2944 CB LEU H 178 39.911 10.289 16.586 1.00 44.23 C +ATOM 2945 CG LEU H 178 38.774 11.275 16.288 1.00 46.73 C +ATOM 2946 CD1 LEU H 178 39.201 12.250 15.209 1.00 44.83 C +ATOM 2947 CD2 LEU H 178 37.531 10.512 15.847 1.00 49.51 C +ATOM 2948 N GLN H 179 41.230 12.593 18.858 1.00 49.97 N +ATOM 2949 CA GLN H 179 41.008 13.149 20.183 1.00 54.37 C +ATOM 2950 C GLN H 179 40.036 14.317 20.083 1.00 53.57 C +ATOM 2951 O GLN H 179 40.432 15.463 19.851 1.00 53.36 O +ATOM 2952 CB GLN H 179 42.326 13.605 20.812 1.00 59.21 C +ATOM 2953 CG GLN H 179 43.176 14.524 19.952 1.00 65.50 C +ATOM 2954 CD GLN H 179 44.368 15.067 20.720 1.00 69.52 C +ATOM 2955 OE1 GLN H 179 45.474 15.179 20.186 1.00 71.16 O +ATOM 2956 NE2 GLN H 179 44.147 15.404 21.988 1.00 71.83 N +ATOM 2957 N SER H 180 38.756 14.003 20.245 1.00 52.40 N +ATOM 2958 CA SER H 180 37.699 14.996 20.175 1.00 50.31 C +ATOM 2959 C SER H 180 37.518 15.555 18.762 1.00 47.02 C +ATOM 2960 O SER H 180 37.662 16.754 18.533 1.00 46.68 O +ATOM 2961 CB SER H 180 37.986 16.131 21.159 1.00 52.94 C +ATOM 2962 OG SER H 180 37.183 17.263 20.872 1.00 62.23 O +ATOM 2963 N ASP H 183 37.205 14.672 17.819 1.00 42.95 N +ATOM 2964 CA ASP H 183 36.974 15.056 16.428 1.00 40.44 C +ATOM 2965 C ASP H 183 38.207 15.426 15.605 1.00 37.16 C +ATOM 2966 O ASP H 183 38.110 15.560 14.385 1.00 36.79 O +ATOM 2967 CB ASP H 183 35.960 16.201 16.364 1.00 43.73 C +ATOM 2968 CG ASP H 183 34.565 15.765 16.772 1.00 47.95 C +ATOM 2969 OD1 ASP H 183 34.398 14.594 17.183 1.00 52.42 O +ATOM 2970 OD2 ASP H 183 33.636 16.594 16.685 1.00 50.85 O +ATOM 2971 N LEU H 184 39.357 15.585 16.257 1.00 33.02 N +ATOM 2972 CA LEU H 184 40.595 15.927 15.557 1.00 29.54 C +ATOM 2973 C LEU H 184 41.631 14.808 15.652 1.00 29.20 C +ATOM 2974 O LEU H 184 41.661 14.057 16.632 1.00 31.90 O +ATOM 2975 CB LEU H 184 41.191 17.214 16.125 1.00 29.01 C +ATOM 2976 CG LEU H 184 40.517 18.547 15.788 1.00 30.21 C +ATOM 2977 CD1 LEU H 184 41.518 19.651 16.042 1.00 32.55 C +ATOM 2978 CD2 LEU H 184 40.037 18.591 14.339 1.00 28.36 C +ATOM 2979 N TYR H 185 42.481 14.698 14.634 1.00 29.07 N +ATOM 2980 CA TYR H 185 43.519 13.665 14.610 1.00 28.00 C +ATOM 2981 C TYR H 185 44.861 14.224 15.048 1.00 25.75 C +ATOM 2982 O TYR H 185 45.127 15.418 14.915 1.00 27.35 O +ATOM 2983 CB TYR H 185 43.689 13.085 13.202 1.00 31.58 C +ATOM 2984 CG TYR H 185 42.546 12.228 12.715 1.00 34.49 C +ATOM 2985 CD1 TYR H 185 42.471 10.878 13.046 1.00 35.51 C +ATOM 2986 CD2 TYR H 185 41.533 12.774 11.918 1.00 38.33 C +ATOM 2987 CE1 TYR H 185 41.410 10.090 12.599 1.00 39.74 C +ATOM 2988 CE2 TYR H 185 40.474 11.999 11.469 1.00 38.52 C +ATOM 2989 CZ TYR H 185 40.414 10.660 11.813 1.00 40.05 C +ATOM 2990 OH TYR H 185 39.345 9.898 11.390 1.00 45.63 O +ATOM 2991 N THR H 186 45.705 13.340 15.556 1.00 23.07 N +ATOM 2992 CA THR H 186 47.038 13.698 16.011 1.00 27.33 C +ATOM 2993 C THR H 186 47.905 12.484 15.766 1.00 28.19 C +ATOM 2994 O THR H 186 47.486 11.356 16.031 1.00 31.53 O +ATOM 2995 CB THR H 186 47.073 14.011 17.524 1.00 26.64 C +ATOM 2996 OG1 THR H 186 46.461 15.284 17.772 1.00 32.14 O +ATOM 2997 CG2 THR H 186 48.496 14.034 18.024 1.00 23.93 C +ATOM 2998 N LEU H 187 49.114 12.711 15.273 1.00 28.97 N +ATOM 2999 CA LEU H 187 50.030 11.617 14.995 1.00 30.75 C +ATOM 3000 C LEU H 187 51.470 12.085 15.202 1.00 30.98 C +ATOM 3001 O LEU H 187 51.728 13.278 15.316 1.00 31.88 O +ATOM 3002 CB LEU H 187 49.798 11.144 13.555 1.00 34.84 C +ATOM 3003 CG LEU H 187 50.903 10.664 12.611 1.00 39.94 C +ATOM 3004 CD1 LEU H 187 50.240 10.007 11.408 1.00 40.46 C +ATOM 3005 CD2 LEU H 187 51.786 11.820 12.155 1.00 37.17 C +ATOM 3006 N SER H 188 52.405 11.147 15.273 1.00 32.79 N +ATOM 3007 CA SER H 188 53.806 11.509 15.444 1.00 35.73 C +ATOM 3008 C SER H 188 54.694 10.555 14.653 1.00 37.17 C +ATOM 3009 O SER H 188 54.307 9.424 14.339 1.00 36.50 O +ATOM 3010 CB SER H 188 54.195 11.499 16.926 1.00 34.70 C +ATOM 3011 OG SER H 188 54.192 10.179 17.431 1.00 44.70 O +ATOM 3012 N SER H 189 55.890 11.026 14.323 1.00 38.54 N +ATOM 3013 CA SER H 189 56.827 10.228 13.555 1.00 38.00 C +ATOM 3014 C SER H 189 58.238 10.356 14.130 1.00 37.20 C +ATOM 3015 O SER H 189 58.604 11.392 14.689 1.00 35.38 O +ATOM 3016 CB SER H 189 56.785 10.681 12.088 1.00 39.15 C +ATOM 3017 OG SER H 189 57.977 10.367 11.394 1.00 44.15 O +ATOM 3018 N SER H 190 59.013 9.285 14.001 1.00 36.84 N +ATOM 3019 CA SER H 190 60.379 9.251 14.493 1.00 36.10 C +ATOM 3020 C SER H 190 61.263 8.590 13.451 1.00 37.72 C +ATOM 3021 O SER H 190 60.797 7.781 12.652 1.00 38.50 O +ATOM 3022 CB SER H 190 60.454 8.443 15.783 1.00 34.79 C +ATOM 3023 OG SER H 190 60.296 7.065 15.499 1.00 34.24 O +ATOM 3024 N VAL H 191 62.543 8.936 13.467 1.00 39.83 N +ATOM 3025 CA VAL H 191 63.505 8.361 12.538 1.00 42.67 C +ATOM 3026 C VAL H 191 64.847 8.291 13.246 1.00 44.86 C +ATOM 3027 O VAL H 191 65.151 9.143 14.086 1.00 45.24 O +ATOM 3028 CB VAL H 191 63.653 9.220 11.257 1.00 41.49 C +ATOM 3029 CG1 VAL H 191 64.177 10.611 11.619 1.00 38.10 C +ATOM 3030 CG2 VAL H 191 64.581 8.520 10.263 1.00 37.05 C +ATOM 3031 N THR H 192 65.638 7.274 12.911 1.00 50.21 N +ATOM 3032 CA THR H 192 66.961 7.091 13.513 1.00 55.76 C +ATOM 3033 C THR H 192 68.093 7.090 12.471 1.00 59.73 C +ATOM 3034 O THR H 192 68.033 6.403 11.439 1.00 59.15 O +ATOM 3035 CB THR H 192 67.023 5.784 14.348 1.00 55.04 C +ATOM 3036 OG1 THR H 192 65.846 5.680 15.161 1.00 54.27 O +ATOM 3037 CG2 THR H 192 68.254 5.783 15.253 1.00 52.85 C +ATOM 3038 N VAL H 193 69.126 7.875 12.762 1.00 64.95 N +ATOM 3039 CA VAL H 193 70.274 8.020 11.876 1.00 69.49 C +ATOM 3040 C VAL H 193 71.578 7.991 12.670 1.00 72.59 C +ATOM 3041 O VAL H 193 71.605 8.377 13.843 1.00 73.74 O +ATOM 3042 CB VAL H 193 70.206 9.369 11.123 1.00 70.08 C +ATOM 3043 CG1 VAL H 193 68.931 9.444 10.302 1.00 69.13 C +ATOM 3044 CG2 VAL H 193 70.257 10.528 12.125 1.00 68.36 C +ATOM 3045 N PRO H 194 72.680 7.543 12.038 1.00 74.66 N +ATOM 3046 CA PRO H 194 73.967 7.497 12.747 1.00 76.12 C +ATOM 3047 C PRO H 194 74.365 8.917 13.140 1.00 77.20 C +ATOM 3048 O PRO H 194 74.174 9.849 12.361 1.00 77.53 O +ATOM 3049 CB PRO H 194 74.927 6.893 11.721 1.00 75.32 C +ATOM 3050 CG PRO H 194 74.285 7.154 10.394 1.00 76.20 C +ATOM 3051 CD PRO H 194 72.803 7.077 10.645 1.00 75.30 C +ATOM 3052 N SER H 195 74.907 9.089 14.341 1.00 78.21 N +ATOM 3053 CA SER H 195 75.302 10.419 14.797 1.00 80.18 C +ATOM 3054 C SER H 195 76.412 11.046 13.928 1.00 80.54 C +ATOM 3055 O SER H 195 77.000 12.074 14.289 1.00 82.34 O +ATOM 3056 CB SER H 195 75.744 10.361 16.267 1.00 81.47 C +ATOM 3057 OG SER H 195 75.548 9.069 16.827 1.00 84.93 O +ATOM 3058 N SER H 196 76.686 10.426 12.781 1.00 79.33 N +ATOM 3059 CA SER H 196 77.698 10.917 11.841 1.00 76.55 C +ATOM 3060 C SER H 196 77.050 11.753 10.721 1.00 76.01 C +ATOM 3061 O SER H 196 77.716 12.563 10.069 1.00 74.56 O +ATOM 3062 CB SER H 196 78.487 9.735 11.244 1.00 74.32 C +ATOM 3063 OG SER H 196 77.900 9.234 10.053 1.00 68.25 O +ATOM 3064 N THR H 198 75.750 11.546 10.511 1.00 73.98 N +ATOM 3065 CA THR H 198 74.991 12.279 9.500 1.00 70.09 C +ATOM 3066 C THR H 198 74.237 13.440 10.189 1.00 70.19 C +ATOM 3067 O THR H 198 73.676 14.307 9.521 1.00 71.94 O +ATOM 3068 CB THR H 198 73.979 11.327 8.749 1.00 67.69 C +ATOM 3069 OG1 THR H 198 74.700 10.403 7.919 1.00 61.22 O +ATOM 3070 CG2 THR H 198 73.028 12.121 7.861 1.00 64.21 C +ATOM 3071 N TRP H 199 74.250 13.458 11.526 1.00 68.05 N +ATOM 3072 CA TRP H 199 73.580 14.497 12.328 1.00 64.91 C +ATOM 3073 C TRP H 199 74.369 14.724 13.627 1.00 62.51 C +ATOM 3074 O TRP H 199 74.921 13.782 14.198 1.00 62.44 O +ATOM 3075 CB TRP H 199 72.139 14.056 12.661 1.00 64.97 C +ATOM 3076 CG TRP H 199 71.155 15.163 13.060 1.00 61.54 C +ATOM 3077 CD1 TRP H 199 70.309 15.853 12.229 1.00 61.93 C +ATOM 3078 CD2 TRP H 199 70.868 15.630 14.390 1.00 59.96 C +ATOM 3079 NE1 TRP H 199 69.515 16.710 12.959 1.00 56.93 N +ATOM 3080 CE2 TRP H 199 69.838 16.591 14.285 1.00 58.56 C +ATOM 3081 CE3 TRP H 199 71.380 15.325 15.660 1.00 59.97 C +ATOM 3082 CZ2 TRP H 199 69.313 17.250 15.404 1.00 57.15 C +ATOM 3083 CZ3 TRP H 199 70.853 15.981 16.771 1.00 57.37 C +ATOM 3084 CH2 TRP H 199 69.831 16.932 16.633 1.00 57.33 C +ATOM 3085 N PRO H 200 74.420 15.975 14.121 1.00 60.61 N +ATOM 3086 CA PRO H 200 73.810 17.207 13.594 1.00 60.60 C +ATOM 3087 C PRO H 200 74.570 18.004 12.511 1.00 61.78 C +ATOM 3088 O PRO H 200 74.454 19.232 12.453 1.00 60.29 O +ATOM 3089 CB PRO H 200 73.580 18.055 14.847 1.00 57.50 C +ATOM 3090 CG PRO H 200 74.426 17.423 15.939 1.00 59.15 C +ATOM 3091 CD PRO H 200 75.140 16.229 15.377 1.00 58.23 C +ATOM 3092 N SER H 202 75.328 17.327 11.651 1.00 63.26 N +ATOM 3093 CA SER H 202 76.074 18.027 10.604 1.00 63.73 C +ATOM 3094 C SER H 202 75.266 18.121 9.313 1.00 64.33 C +ATOM 3095 O SER H 202 75.268 19.151 8.633 1.00 62.16 O +ATOM 3096 CB SER H 202 77.408 17.324 10.329 1.00 64.38 C +ATOM 3097 OG SER H 202 77.406 15.992 10.809 1.00 67.22 O +ATOM 3098 N GLU H 203 74.588 17.031 8.974 1.00 65.37 N +ATOM 3099 CA GLU H 203 73.754 16.989 7.785 1.00 66.53 C +ATOM 3100 C GLU H 203 72.309 17.152 8.261 1.00 67.55 C +ATOM 3101 O GLU H 203 71.865 16.457 9.175 1.00 65.13 O +ATOM 3102 CB GLU H 203 73.950 15.660 7.042 1.00 66.16 C +ATOM 3103 CG GLU H 203 75.074 15.697 6.007 1.00 68.37 C +ATOM 3104 CD GLU H 203 75.834 14.379 5.886 1.00 70.95 C +ATOM 3105 OE1 GLU H 203 75.293 13.431 5.268 1.00 73.79 O +ATOM 3106 OE2 GLU H 203 76.975 14.295 6.401 1.00 67.79 O +ATOM 3107 N THR H 204 71.588 18.086 7.649 1.00 69.98 N +ATOM 3108 CA THR H 204 70.207 18.370 8.028 1.00 72.88 C +ATOM 3109 C THR H 204 69.225 17.220 7.825 1.00 73.03 C +ATOM 3110 O THR H 204 69.260 16.514 6.813 1.00 72.86 O +ATOM 3111 CB THR H 204 69.656 19.603 7.270 1.00 73.77 C +ATOM 3112 OG1 THR H 204 69.471 19.273 5.888 1.00 76.84 O +ATOM 3113 CG2 THR H 204 70.620 20.775 7.381 1.00 74.05 C +ATOM 3114 N VAL H 205 68.352 17.046 8.813 1.00 72.74 N +ATOM 3115 CA VAL H 205 67.321 16.018 8.783 1.00 71.37 C +ATOM 3116 C VAL H 205 65.994 16.775 8.845 1.00 70.88 C +ATOM 3117 O VAL H 205 65.683 17.431 9.846 1.00 68.98 O +ATOM 3118 CB VAL H 205 67.460 15.050 9.990 1.00 69.20 C +ATOM 3119 CG1 VAL H 205 66.104 14.497 10.383 1.00 68.57 C +ATOM 3120 CG2 VAL H 205 68.412 13.911 9.632 1.00 67.18 C +ATOM 3121 N THR H 206 65.222 16.694 7.763 1.00 70.42 N +ATOM 3122 CA THR H 206 63.949 17.403 7.682 1.00 68.72 C +ATOM 3123 C THR H 206 62.695 16.539 7.764 1.00 64.48 C +ATOM 3124 O THR H 206 62.663 15.388 7.322 1.00 61.74 O +ATOM 3125 CB THR H 206 63.871 18.260 6.385 1.00 71.64 C +ATOM 3126 OG1 THR H 206 65.065 19.045 6.261 1.00 74.89 O +ATOM 3127 CG2 THR H 206 62.657 19.198 6.419 1.00 68.98 C +ATOM 3128 N CYS H 208 61.661 17.140 8.337 1.00 61.55 N +ATOM 3129 CA CYS H 208 60.366 16.509 8.512 1.00 58.72 C +ATOM 3130 C CYS H 208 59.376 17.226 7.609 1.00 54.56 C +ATOM 3131 O CYS H 208 59.158 18.430 7.734 1.00 48.56 O +ATOM 3132 CB CYS H 208 59.937 16.641 9.970 1.00 62.23 C +ATOM 3133 SG CYS H 208 58.315 15.945 10.389 1.00 59.43 S +ATOM 3134 N ASN H 209 58.776 16.480 6.696 1.00 53.95 N +ATOM 3135 CA ASN H 209 57.829 17.074 5.774 1.00 54.39 C +ATOM 3136 C ASN H 209 56.425 16.494 5.914 1.00 54.97 C +ATOM 3137 O ASN H 209 56.148 15.358 5.509 1.00 53.25 O +ATOM 3138 CB ASN H 209 58.343 16.907 4.343 1.00 52.06 C +ATOM 3139 CG ASN H 209 59.831 16.607 4.295 1.00 47.87 C +ATOM 3140 OD1 ASN H 209 60.231 15.457 4.124 1.00 46.64 O +ATOM 3141 ND2 ASN H 209 60.657 17.641 4.452 1.00 41.73 N +ATOM 3142 N VAL H 210 55.544 17.298 6.502 1.00 56.76 N +ATOM 3143 CA VAL H 210 54.156 16.908 6.710 1.00 55.88 C +ATOM 3144 C VAL H 210 53.247 17.762 5.839 1.00 55.38 C +ATOM 3145 O VAL H 210 53.306 18.996 5.864 1.00 52.82 O +ATOM 3146 CB VAL H 210 53.741 17.080 8.177 1.00 54.40 C +ATOM 3147 CG1 VAL H 210 52.268 16.750 8.339 1.00 55.99 C +ATOM 3148 CG2 VAL H 210 54.588 16.179 9.051 1.00 54.85 C +ATOM 3149 N ALA H 211 52.408 17.090 5.065 1.00 54.60 N +ATOM 3150 CA ALA H 211 51.495 17.780 4.181 1.00 54.70 C +ATOM 3151 C ALA H 211 50.068 17.307 4.392 1.00 55.56 C +ATOM 3152 O ALA H 211 49.795 16.107 4.490 1.00 53.10 O +ATOM 3153 CB ALA H 211 51.911 17.553 2.735 1.00 54.06 C +ATOM 3154 N HIS H 212 49.153 18.261 4.475 1.00 56.38 N +ATOM 3155 CA HIS H 212 47.759 17.916 4.640 1.00 57.08 C +ATOM 3156 C HIS H 212 47.026 18.114 3.308 1.00 61.21 C +ATOM 3157 O HIS H 212 46.896 19.239 2.815 1.00 61.18 O +ATOM 3158 CB HIS H 212 47.123 18.771 5.729 1.00 49.72 C +ATOM 3159 CG HIS H 212 45.834 18.215 6.239 1.00 43.54 C +ATOM 3160 ND1 HIS H 212 44.798 19.013 6.674 1.00 42.37 N +ATOM 3161 CD2 HIS H 212 45.403 16.938 6.361 1.00 42.43 C +ATOM 3162 CE1 HIS H 212 43.784 18.251 7.041 1.00 40.12 C +ATOM 3163 NE2 HIS H 212 44.125 16.988 6.860 1.00 40.46 N +ATOM 3164 N PRO H 213 46.562 17.009 2.698 1.00 63.87 N +ATOM 3165 CA PRO H 213 45.841 17.034 1.421 1.00 66.99 C +ATOM 3166 C PRO H 213 44.564 17.876 1.440 1.00 69.60 C +ATOM 3167 O PRO H 213 44.261 18.575 0.477 1.00 73.58 O +ATOM 3168 CB PRO H 213 45.539 15.557 1.142 1.00 66.00 C +ATOM 3169 CG PRO H 213 46.497 14.795 1.986 1.00 66.01 C +ATOM 3170 CD PRO H 213 46.732 15.636 3.203 1.00 65.85 C +ATOM 3171 N ALA H 214 43.820 17.815 2.538 1.00 70.44 N +ATOM 3172 CA ALA H 214 42.572 18.560 2.641 1.00 69.86 C +ATOM 3173 C ALA H 214 42.712 20.075 2.792 1.00 70.03 C +ATOM 3174 O ALA H 214 42.193 20.834 1.975 1.00 70.53 O +ATOM 3175 CB ALA H 214 41.748 18.008 3.777 1.00 71.17 C +ATOM 3176 N SER H 215 43.396 20.524 3.836 1.00 69.71 N +ATOM 3177 CA SER H 215 43.550 21.957 4.051 1.00 71.75 C +ATOM 3178 C SER H 215 44.606 22.546 3.132 1.00 74.73 C +ATOM 3179 O SER H 215 44.883 23.748 3.176 1.00 75.02 O +ATOM 3180 CB SER H 215 43.912 22.242 5.514 1.00 69.94 C +ATOM 3181 OG SER H 215 45.201 21.753 5.838 1.00 68.49 O +ATOM 3182 N SER H 216 45.186 21.693 2.292 1.00 77.47 N +ATOM 3183 CA SER H 216 46.224 22.114 1.356 1.00 80.64 C +ATOM 3184 C SER H 216 47.388 22.809 2.065 1.00 80.11 C +ATOM 3185 O SER H 216 47.839 23.878 1.643 1.00 80.56 O +ATOM 3186 CB SER H 216 45.636 23.049 0.294 1.00 82.50 C +ATOM 3187 OG SER H 216 44.548 22.434 -0.371 1.00 87.17 O +ATOM 3188 N THR H 217 47.861 22.202 3.151 1.00 79.55 N +ATOM 3189 CA THR H 217 48.989 22.752 3.894 1.00 78.55 C +ATOM 3190 C THR H 217 50.207 21.882 3.638 1.00 76.99 C +ATOM 3191 O THR H 217 50.110 20.656 3.558 1.00 76.06 O +ATOM 3192 CB THR H 217 48.748 22.778 5.429 1.00 78.04 C +ATOM 3193 OG1 THR H 217 48.170 21.536 5.846 1.00 78.10 O +ATOM 3194 CG2 THR H 217 47.832 23.927 5.816 1.00 77.97 C +ATOM 3195 N LYS H 218 51.352 22.530 3.491 1.00 75.55 N +ATOM 3196 CA LYS H 218 52.603 21.830 3.270 1.00 73.90 C +ATOM 3197 C LYS H 218 53.604 22.504 4.187 1.00 74.13 C +ATOM 3198 O LYS H 218 53.966 23.661 3.974 1.00 73.06 O +ATOM 3199 CB LYS H 218 53.051 21.960 1.813 1.00 72.29 C +ATOM 3200 CG LYS H 218 53.812 20.749 1.284 1.00 70.12 C +ATOM 3201 CD LYS H 218 55.232 20.687 1.841 1.00 67.44 C +ATOM 3202 CE LYS H 218 55.942 19.390 1.445 1.00 66.15 C +ATOM 3203 NZ LYS H 218 56.212 18.484 2.605 1.00 56.93 N +ATOM 3204 N VAL H 219 54.028 21.788 5.225 1.00 75.02 N +ATOM 3205 CA VAL H 219 54.990 22.336 6.170 1.00 74.88 C +ATOM 3206 C VAL H 219 56.185 21.414 6.391 1.00 74.09 C +ATOM 3207 O VAL H 219 56.049 20.192 6.448 1.00 72.16 O +ATOM 3208 CB VAL H 219 54.331 22.641 7.528 1.00 74.50 C +ATOM 3209 CG1 VAL H 219 55.069 23.789 8.206 1.00 74.27 C +ATOM 3210 CG2 VAL H 219 52.861 22.989 7.329 1.00 73.40 C +ATOM 3211 N ASP H 220 57.358 22.023 6.507 1.00 75.34 N +ATOM 3212 CA ASP H 220 58.598 21.291 6.715 1.00 77.58 C +ATOM 3213 C ASP H 220 59.166 21.669 8.072 1.00 78.97 C +ATOM 3214 O ASP H 220 59.311 22.856 8.378 1.00 79.40 O +ATOM 3215 CB ASP H 220 59.614 21.650 5.625 1.00 78.15 C +ATOM 3216 CG ASP H 220 59.378 20.894 4.332 1.00 79.07 C +ATOM 3217 OD1 ASP H 220 59.124 19.675 4.394 1.00 80.17 O +ATOM 3218 OD2 ASP H 220 59.447 21.517 3.253 1.00 78.99 O +ATOM 3219 N LYS H 221 59.482 20.666 8.888 1.00 78.69 N +ATOM 3220 CA LYS H 221 60.050 20.926 10.203 1.00 77.87 C +ATOM 3221 C LYS H 221 61.479 20.421 10.292 1.00 77.49 C +ATOM 3222 O LYS H 221 61.734 19.217 10.253 1.00 74.85 O +ATOM 3223 CB LYS H 221 59.207 20.282 11.300 1.00 77.79 C +ATOM 3224 CG LYS H 221 58.947 21.217 12.463 1.00 77.63 C +ATOM 3225 CD LYS H 221 58.287 22.500 11.987 1.00 80.02 C +ATOM 3226 CE LYS H 221 58.975 23.726 12.562 1.00 83.40 C +ATOM 3227 NZ LYS H 221 58.236 24.979 12.223 1.00 88.64 N +ATOM 3228 N LYS H 222 62.410 21.361 10.409 1.00 79.22 N +ATOM 3229 CA LYS H 222 63.822 21.030 10.496 1.00 81.10 C +ATOM 3230 C LYS H 222 64.180 20.648 11.923 1.00 82.04 C +ATOM 3231 O LYS H 222 63.960 21.426 12.860 1.00 81.53 O +ATOM 3232 CB LYS H 222 64.672 22.223 10.038 1.00 81.85 C +ATOM 3233 CG LYS H 222 66.119 22.189 10.511 1.00 84.61 C +ATOM 3234 CD LYS H 222 67.103 22.341 9.358 1.00 87.09 C +ATOM 3235 CE LYS H 222 68.517 21.938 9.782 1.00 88.25 C +ATOM 3236 NZ LYS H 222 68.622 20.487 10.138 1.00 87.71 N +ATOM 3237 N ILE H 223 64.718 19.440 12.078 1.00 82.44 N +ATOM 3238 CA ILE H 223 65.127 18.939 13.387 1.00 82.16 C +ATOM 3239 C ILE H 223 66.521 19.495 13.691 1.00 82.24 C +ATOM 3240 O ILE H 223 67.483 19.220 12.961 1.00 80.21 O +ATOM 3241 CB ILE H 223 65.160 17.390 13.408 1.00 81.09 C +ATOM 3242 CG1 ILE H 223 63.892 16.827 12.744 1.00 80.02 C +ATOM 3243 CG2 ILE H 223 65.305 16.894 14.841 1.00 82.23 C +ATOM 3244 CD1 ILE H 223 62.638 16.824 13.620 1.00 75.34 C +ATOM 3245 N VAL H 226 66.611 20.278 14.770 1.00 82.32 N +ATOM 3246 CA VAL H 226 67.861 20.923 15.184 1.00 81.62 C +ATOM 3247 C VAL H 226 68.415 20.497 16.555 1.00 81.88 C +ATOM 3248 O VAL H 226 67.737 20.737 17.577 1.00 83.87 O +ATOM 3249 CB VAL H 226 67.682 22.454 15.195 1.00 81.19 C +ATOM 3250 CG1 VAL H 226 67.609 22.980 13.770 1.00 80.24 C +ATOM 3251 CG2 VAL H 226 66.415 22.820 15.959 1.00 80.82 C +ATOM 3252 OXT VAL H 226 69.537 19.945 16.598 1.00 79.18 O +TER 3253 VAL H 226 +HETATM 3254 N1 GEP L 212 30.452 -13.021 -1.552 1.00 24.17 N +HETATM 3255 C2 GEP L 212 31.387 -12.584 -0.415 1.00 22.06 C +HETATM 3256 C3 GEP L 212 30.840 -11.319 0.244 1.00 19.83 C +HETATM 3257 C4 GEP L 212 29.456 -11.555 0.824 1.00 20.79 C +HETATM 3258 C5 GEP L 212 28.485 -12.136 -0.205 1.00 21.69 C +HETATM 3259 C6 GEP L 212 29.061 -13.344 -0.977 1.00 22.70 C +HETATM 3260 C7 GEP L 212 30.348 -11.888 -2.579 1.00 24.46 C +HETATM 3261 C8 GEP L 212 31.033 -14.252 -2.283 1.00 24.56 C +HETATM 3262 C9 GEP L 212 30.868 -15.555 -1.491 1.00 19.97 C +HETATM 3263 C10 GEP L 212 31.385 -16.672 -2.357 1.00 20.94 C +HETATM 3264 C11 GEP L 212 32.751 -16.820 -2.576 1.00 20.86 C +HETATM 3265 C12 GEP L 212 33.242 -17.815 -3.433 1.00 23.00 C +HETATM 3266 C13 GEP L 212 32.365 -18.693 -4.090 1.00 20.49 C +HETATM 3267 C14 GEP L 212 30.988 -18.551 -3.858 1.00 22.80 C +HETATM 3268 C15 GEP L 212 30.511 -17.545 -2.997 1.00 18.38 C +HETATM 3269 N16 GEP L 212 32.851 -19.654 -5.101 1.00 25.06 N +HETATM 3270 C17 GEP L 212 34.182 -19.738 -5.478 1.00 26.61 C +HETATM 3271 O18 GEP L 212 35.022 -18.992 -4.990 1.00 29.64 O +HETATM 3272 C19 GEP L 212 34.614 -20.744 -6.523 1.00 31.98 C +HETATM 3273 C20 GEP L 212 36.015 -20.445 -7.081 1.00 35.90 C +HETATM 3274 C21 GEP L 212 36.396 -21.403 -8.218 1.00 35.74 C +HETATM 3275 C22 GEP L 212 37.903 -21.524 -8.420 1.00 39.17 C +HETATM 3276 O23 GEP L 212 38.660 -20.653 -7.929 1.00 38.08 O +HETATM 3277 O24 GEP L 212 38.329 -22.498 -9.077 1.00 42.90 O +HETATM 3278 O HOH L 213 40.778 6.991 28.649 0.50 37.01 O +HETATM 3279 O HOH L 214 38.119 -29.969 -2.347 1.00 19.32 O +HETATM 3280 O HOH L 215 37.966 -24.817 6.001 1.00 19.90 O +HETATM 3281 O HOH L 216 42.918 -27.429 7.855 1.00 21.55 O +HETATM 3282 O HOH L 217 34.526 -9.871 11.357 1.00 21.93 O +HETATM 3283 O HOH L 218 42.012 -7.139 8.649 1.00 22.56 O +HETATM 3284 O HOH L 219 29.051 -20.343 -1.464 1.00 23.63 O +HETATM 3285 O HOH L 220 40.561 -19.121 12.398 1.00 24.25 O +HETATM 3286 O HOH L 221 22.876 -16.236 9.353 1.00 24.63 O +HETATM 3287 O HOH L 222 34.258 -32.792 9.412 1.00 24.71 O +HETATM 3288 O HOH L 223 44.424 -7.827 1.525 1.00 24.79 O +HETATM 3289 O HOH L 224 35.471 -14.691 16.097 1.00 25.36 O +HETATM 3290 O HOH L 225 48.806 -7.850 9.083 1.00 25.56 O +HETATM 3291 O HOH L 226 42.552 -26.921 -4.084 1.00 26.22 O +HETATM 3292 O HOH L 227 29.620 -14.209 13.092 1.00 26.59 O +HETATM 3293 O HOH L 228 43.820 -29.157 6.393 1.00 27.09 O +HETATM 3294 O HOH L 229 38.536 -14.039 16.560 1.00 27.13 O +HETATM 3295 O HOH L 230 43.135 -7.608 -2.164 1.00 27.44 O +HETATM 3296 O HOH L 231 59.758 -21.353 5.856 1.00 27.78 O +HETATM 3297 O HOH L 232 45.876 -10.168 0.877 1.00 27.89 O +HETATM 3298 O HOH L 233 46.201 -7.708 9.336 1.00 28.20 O +HETATM 3299 O HOH L 234 28.294 -29.583 6.393 1.00 28.58 O +HETATM 3300 O HOH L 235 59.345 -1.585 14.955 1.00 29.15 O +HETATM 3301 O HOH L 236 27.536 -19.912 -3.890 1.00 29.48 O +HETATM 3302 O HOH L 237 48.399 -27.505 4.599 1.00 29.51 O +HETATM 3303 O HOH L 238 19.993 -17.675 9.247 1.00 29.70 O +HETATM 3304 O HOH L 239 27.520 -10.083 8.119 1.00 29.71 O +HETATM 3305 O HOH L 240 29.463 -11.143 10.617 1.00 29.98 O +HETATM 3306 O HOH L 241 33.950 -29.203 1.018 1.00 30.56 O +HETATM 3307 O HOH L 242 45.704 -27.795 0.200 1.00 31.35 O +HETATM 3308 O HOH L 243 49.927 -9.905 11.213 1.00 31.41 O +HETATM 3309 O HOH L 244 37.047 -21.639 16.560 1.00 31.60 O +HETATM 3310 O HOH L 245 22.763 -15.970 -2.479 1.00 31.65 O +HETATM 3311 O HOH L 246 28.233 -23.869 -4.116 1.00 32.33 O +HETATM 3312 O HOH L 247 49.234 -28.486 2.250 1.00 32.53 O +HETATM 3313 O HOH L 248 44.405 -6.723 7.834 1.00 33.72 O +HETATM 3314 O HOH L 249 22.405 -20.176 14.845 1.00 33.75 O +HETATM 3315 O HOH L 250 26.583 -23.740 -2.389 1.00 33.76 O +HETATM 3316 O HOH L 251 39.823 -31.764 3.406 1.00 33.84 O +HETATM 3317 O HOH L 252 57.250 -1.804 8.003 1.00 33.85 O +HETATM 3318 O HOH L 253 63.056 -3.737 29.039 1.00 34.16 O +HETATM 3319 O HOH L 254 44.786 5.338 23.329 1.00 34.55 O +HETATM 3320 O HOH L 255 47.869 -17.549 20.181 1.00 34.56 O +HETATM 3321 O HOH L 256 40.327 -27.706 -5.519 1.00 34.77 O +HETATM 3322 O HOH L 257 52.905 -10.192 5.003 1.00 34.91 O +HETATM 3323 O HOH L 258 42.069 -15.017 -4.276 1.00 35.60 O +HETATM 3324 O HOH L 259 42.504 -10.549 15.872 1.00 36.83 O +HETATM 3325 O HOH L 260 56.404 2.235 10.445 1.00 36.87 O +HETATM 3326 O HOH L 261 53.248 -8.841 9.640 1.00 37.35 O +HETATM 3327 O HOH L 262 49.045 -23.741 14.814 1.00 37.45 O +HETATM 3328 O HOH L 263 40.685 -30.675 -5.996 1.00 37.50 O +HETATM 3329 O HOH L 264 63.025 0.653 11.453 1.00 37.62 O +HETATM 3330 O HOH L 265 39.957 -17.893 -7.068 1.00 37.83 O +HETATM 3331 O HOH L 266 47.381 -23.394 17.443 1.00 37.94 O +HETATM 3332 O HOH L 267 59.573 -23.345 4.729 1.00 38.51 O +HETATM 3333 O HOH L 268 50.337 -13.558 0.226 1.00 38.71 O +HETATM 3334 O HOH L 269 49.914 -8.633 7.016 1.00 38.72 O +HETATM 3335 O HOH L 270 53.031 -29.640 8.627 1.00 38.89 O +HETATM 3336 O HOH L 271 50.192 -10.152 -0.234 1.00 38.94 O +HETATM 3337 O HOH L 272 22.950 -16.764 17.026 1.00 39.18 O +HETATM 3338 O HOH L 273 40.129 -33.074 1.030 1.00 39.29 O +HETATM 3339 O HOH L 274 53.914 -11.251 17.061 1.00 39.59 O +HETATM 3340 O HOH L 275 28.220 -18.774 18.400 1.00 40.44 O +HETATM 3341 O HOH L 276 26.602 -30.437 12.105 1.00 40.46 O +HETATM 3342 O HOH L 277 44.367 -14.663 21.259 1.00 40.46 O +HETATM 3343 O HOH L 278 34.454 -8.018 14.279 1.00 41.22 O +HETATM 3344 O HOH L 279 41.088 -9.939 14.046 1.00 41.33 O +HETATM 3345 O HOH L 280 65.979 -2.780 19.660 1.00 41.53 O +HETATM 3346 O HOH L 281 50.596 -18.149 19.400 1.00 41.66 O +HETATM 3347 O HOH L 282 16.920 -12.683 4.560 1.00 42.00 O +HETATM 3348 O HOH L 283 23.749 -18.452 -0.824 1.00 42.02 O +HETATM 3349 O HOH L 284 44.624 2.349 3.538 1.00 42.03 O +HETATM 3350 O HOH L 285 43.341 -32.371 4.483 1.00 42.21 O +HETATM 3351 O HOH L 286 42.892 -3.618 6.989 1.00 42.30 O +HETATM 3352 O HOH L 287 57.325 -0.001 10.952 1.00 42.58 O +HETATM 3353 O HOH L 288 42.782 -1.972 4.721 1.00 42.77 O +HETATM 3354 O HOH L 289 24.074 -29.311 6.866 1.00 43.02 O +HETATM 3355 O HOH L 290 54.506 -6.051 29.872 1.00 43.30 O +HETATM 3356 O HOH L 291 29.192 -32.531 9.461 1.00 43.51 O +HETATM 3357 O HOH L 292 61.539 -14.242 10.844 1.00 43.86 O +HETATM 3358 O HOH L 293 51.282 9.084 20.837 1.00 44.70 O +HETATM 3359 O HOH L 294 38.222 -29.373 11.164 1.00 44.95 O +HETATM 3360 O HOH L 295 34.235 -12.982 17.495 1.00 45.57 O +HETATM 3361 O HOH L 296 57.407 -22.610 20.347 1.00 46.14 O +HETATM 3362 O HOH L 297 26.619 -31.589 7.229 1.00 46.55 O +HETATM 3363 O HOH L 298 38.464 -16.317 19.772 1.00 46.63 O +HETATM 3364 O HOH L 299 23.034 -18.163 -3.913 1.00 47.11 O +HETATM 3365 O HOH L 300 30.867 -22.093 -4.209 1.00 48.31 O +HETATM 3366 O HOH L 301 56.698 -1.576 13.137 1.00 48.33 O +HETATM 3367 O HOH L 302 50.962 -6.430 12.626 1.00 48.60 O +HETATM 3368 O HOH L 303 64.288 3.788 18.393 1.00 48.75 O +HETATM 3369 O HOH L 304 36.332 -21.879 19.014 1.00 49.45 O +HETATM 3370 O HOH L 305 23.276 -26.673 7.020 1.00 49.73 O +HETATM 3371 O HOH L 306 55.191 -14.170 20.890 1.00 49.83 O +HETATM 3372 O HOH L 307 30.030 -30.317 13.226 1.00 50.29 O +HETATM 3373 O HOH L 308 48.314 -4.164 1.415 1.00 50.40 O +HETATM 3374 O HOH L 309 49.026 -29.999 5.981 1.00 50.87 O +HETATM 3375 O HOH L 310 62.073 22.325 24.955 1.00 51.27 O +HETATM 3376 O HOH L 311 66.040 10.481 31.119 1.00 52.74 O +HETATM 3377 O HOH L 312 63.741 -21.686 7.975 1.00 55.53 O +HETATM 3378 O HOH L 313 64.842 8.841 36.173 1.00 55.72 O +HETATM 3379 O HOH L 314 29.733 -25.667 17.456 1.00 56.10 O +HETATM 3380 O HOH L 315 45.185 -29.978 10.369 1.00 56.91 O +HETATM 3381 O HOH L 316 56.987 16.598 22.787 1.00 57.70 O +HETATM 3382 O HOH L 317 40.776 -4.483 -4.469 1.00 57.78 O +HETATM 3383 O HOH L 318 64.200 -11.988 11.989 1.00 58.23 O +HETATM 3384 O HOH L 319 30.549 -21.160 17.962 1.00 58.44 O +HETATM 3385 O HOH L 320 42.236 -29.990 2.212 1.00 58.69 O +HETATM 3386 O HOH L 321 21.350 -18.904 -6.231 1.00 60.16 O +HETATM 3387 O HOH L 322 47.827 -2.537 15.308 1.00 63.82 O +HETATM 3388 O HOH L 323 51.971 -6.647 5.119 1.00 64.37 O +HETATM 3389 O HOH L 324 58.850 12.559 39.739 1.00 65.84 O +HETATM 3390 O HOH L 325 55.570 -10.024 6.192 1.00 66.68 O +HETATM 3391 O HOH L 326 59.280 -8.068 34.923 1.00 69.45 O +HETATM 3392 O HOH L 327 65.315 0.341 36.714 1.00 72.64 O +HETATM 3393 O HOH L 328 52.686 -22.106 15.312 1.00 75.17 O +HETATM 3394 O HOH L 329 20.763 -26.196 1.029 1.00 77.12 O +HETATM 3395 O HOH L 330 22.030 -21.034 -0.139 1.00 80.32 O +HETATM 3396 O HOH L 331 65.859 11.209 23.355 1.00 82.69 O +HETATM 3397 O HOH L 332 35.791 -15.175 20.310 1.00 83.00 O +HETATM 3398 O HOH L 333 40.931 10.098 33.908 1.00 87.92 O +HETATM 3399 O HOH H 227 31.398 7.252 -3.145 1.00 19.80 O +HETATM 3400 O HOH H 228 15.592 -3.123 -6.564 1.00 20.64 O +HETATM 3401 O HOH H 229 26.692 1.471 8.149 1.00 20.83 O +HETATM 3402 O HOH H 230 28.188 -12.095 -17.537 1.00 21.18 O +HETATM 3403 O HOH H 231 20.601 2.442 -3.637 1.00 21.21 O +HETATM 3404 O HOH H 232 33.158 17.057 8.177 1.00 21.50 O +HETATM 3405 O HOH H 233 38.345 -12.139 -3.701 1.00 22.07 O +HETATM 3406 O HOH H 234 37.010 4.531 -3.726 1.00 22.13 O +HETATM 3407 O HOH H 235 27.963 9.995 -3.521 1.00 22.28 O +HETATM 3408 O HOH H 236 25.826 -7.890 8.971 1.00 22.34 O +HETATM 3409 O HOH H 237 19.693 11.332 6.026 1.00 23.34 O +HETATM 3410 O HOH H 238 36.713 9.542 3.849 1.00 23.71 O +HETATM 3411 O HOH H 239 26.068 17.543 11.546 1.00 24.64 O +HETATM 3412 O HOH H 240 38.793 -8.995 -6.184 1.00 25.86 O +HETATM 3413 O HOH H 241 37.892 5.458 -0.846 1.00 26.55 O +HETATM 3414 O HOH H 242 20.158 -14.192 -13.968 1.00 26.89 O +HETATM 3415 O HOH H 243 36.326 13.660 13.641 1.00 27.29 O +HETATM 3416 O HOH H 244 19.607 3.546 -7.728 1.00 27.36 O +HETATM 3417 O HOH H 245 31.929 11.168 -4.425 1.00 28.61 O +HETATM 3418 O HOH H 246 32.949 3.611 12.903 1.00 29.13 O +HETATM 3419 O HOH H 247 16.108 -1.715 -4.067 1.00 29.22 O +HETATM 3420 O HOH H 248 17.916 -2.229 -13.880 1.00 29.31 O +HETATM 3421 O HOH H 249 33.999 9.267 -7.266 1.00 29.55 O +HETATM 3422 O HOH H 250 31.551 3.708 -10.231 1.00 30.46 O +HETATM 3423 O HOH H 251 24.075 -6.729 -16.342 1.00 30.52 O +HETATM 3424 O HOH H 252 34.185 -28.925 -11.573 1.00 30.55 O +HETATM 3425 O HOH H 253 17.397 -1.832 -8.070 1.00 31.05 O +HETATM 3426 O HOH H 254 67.601 9.733 20.496 1.00 31.33 O +HETATM 3427 O HOH H 255 37.552 -6.275 -8.532 1.00 31.39 O +HETATM 3428 O HOH H 256 18.734 -10.987 6.579 1.00 31.55 O +HETATM 3429 O HOH H 257 18.658 -11.703 -3.658 1.00 32.66 O +HETATM 3430 O HOH H 258 42.294 -1.224 -2.317 1.00 32.77 O +HETATM 3431 O HOH H 259 12.351 -7.140 -3.382 1.00 32.91 O +HETATM 3432 O HOH H 260 17.920 4.408 -3.474 1.00 33.14 O +HETATM 3433 O HOH H 261 31.542 -9.444 11.821 1.00 33.15 O +HETATM 3434 O HOH H 262 31.498 -5.132 -19.596 1.00 33.28 O +HETATM 3435 O HOH H 263 17.134 -4.089 -10.509 1.00 33.33 O +HETATM 3436 O HOH H 264 19.307 -17.546 2.139 1.00 33.37 O +HETATM 3437 O HOH H 265 36.093 -15.216 -13.336 1.00 33.84 O +HETATM 3438 O HOH H 266 38.959 8.294 -3.476 1.00 34.27 O +HETATM 3439 O HOH H 267 32.064 -1.650 -17.749 1.00 34.34 O +HETATM 3440 O HOH H 268 39.469 11.591 8.375 1.00 34.92 O +HETATM 3441 O HOH H 269 14.545 -2.647 3.695 1.00 34.94 O +HETATM 3442 O HOH H 270 40.984 -1.716 1.272 1.00 35.16 O +HETATM 3443 O HOH H 271 38.158 1.271 7.772 1.00 35.25 O +HETATM 3444 O HOH H 272 19.724 -15.230 -2.371 1.00 35.68 O +HETATM 3445 O HOH H 273 20.819 9.519 -3.346 1.00 35.77 O +HETATM 3446 O HOH H 274 63.339 4.915 14.304 1.00 36.13 O +HETATM 3447 O HOH H 275 18.647 8.144 -4.265 1.00 36.56 O +HETATM 3448 O HOH H 276 19.001 4.206 2.391 1.00 36.67 O +HETATM 3449 O HOH H 277 37.244 5.039 7.845 1.00 36.69 O +HETATM 3450 O HOH H 278 17.052 -12.236 8.516 1.00 37.12 O +HETATM 3451 O HOH H 279 17.912 -14.713 -13.377 1.00 37.22 O +HETATM 3452 O HOH H 280 26.505 -3.771 -19.685 1.00 37.87 O +HETATM 3453 O HOH H 281 26.009 -17.204 -6.166 1.00 38.52 O +HETATM 3454 O HOH H 282 15.471 -0.367 2.795 1.00 38.80 O +HETATM 3455 O HOH H 283 17.377 -14.561 -7.369 1.00 39.50 O +HETATM 3456 O HOH H 284 35.765 8.258 11.716 1.00 39.76 O +HETATM 3457 O HOH H 285 40.525 0.207 -8.134 1.00 40.18 O +HETATM 3458 O HOH H 286 35.666 -30.573 -12.930 1.00 40.61 O +HETATM 3459 O HOH H 287 26.970 -1.233 -19.535 1.00 40.65 O +HETATM 3460 O HOH H 288 16.896 -14.172 -10.756 1.00 40.75 O +HETATM 3461 O HOH H 289 32.503 13.128 -0.815 1.00 40.82 O +HETATM 3462 O HOH H 290 15.245 -3.107 -1.781 1.00 41.57 O +HETATM 3463 O HOH H 291 46.754 7.282 10.818 1.00 42.49 O +HETATM 3464 O HOH H 292 32.717 -3.445 10.863 1.00 42.64 O +HETATM 3465 O HOH H 293 13.673 -6.564 0.405 1.00 42.68 O +HETATM 3466 O HOH H 294 26.377 -16.461 -10.153 1.00 43.93 O +HETATM 3467 O HOH H 295 16.406 1.072 -9.931 1.00 44.02 O +HETATM 3468 O HOH H 296 36.008 21.225 14.235 1.00 44.77 O +HETATM 3469 O HOH H 297 38.415 22.514 13.595 1.00 46.05 O +HETATM 3470 O HOH H 298 30.318 -19.320 -15.959 1.00 47.31 O +HETATM 3471 O HOH H 299 30.734 5.292 16.207 1.00 47.42 O +HETATM 3472 O HOH H 300 41.318 -4.966 10.477 1.00 47.94 O +HETATM 3473 O HOH H 301 20.164 -13.483 -16.579 1.00 48.27 O +HETATM 3474 O HOH H 302 16.764 11.818 10.555 1.00 49.04 O +HETATM 3475 O HOH H 303 40.601 2.645 -1.118 1.00 49.14 O +HETATM 3476 O HOH H 304 77.494 11.621 4.412 1.00 49.24 O +HETATM 3477 O HOH H 305 18.486 -6.057 14.605 1.00 50.41 O +HETATM 3478 O HOH H 306 71.151 20.055 11.678 1.00 50.62 O +HETATM 3479 O HOH H 307 14.508 -2.115 -10.918 1.00 50.83 O +HETATM 3480 O HOH H 308 69.565 13.102 -0.002 1.00 51.23 O +HETATM 3481 O HOH H 309 40.460 1.257 1.309 1.00 51.61 O +HETATM 3482 O HOH H 310 40.734 -0.987 9.249 1.00 52.62 O +HETATM 3483 O HOH H 311 63.478 16.954 1.953 1.00 53.10 O +HETATM 3484 O HOH H 312 18.616 13.130 9.020 1.00 54.12 O +HETATM 3485 O HOH H 313 28.410 -18.478 -13.134 1.00 54.31 O +HETATM 3486 O HOH H 314 40.690 3.791 -4.354 1.00 56.34 O +HETATM 3487 O HOH H 315 35.565 19.701 16.824 1.00 57.45 O +HETATM 3488 O HOH H 316 52.239 25.626 4.346 1.00 58.34 O +HETATM 3489 O HOH H 317 30.497 -7.474 -20.243 1.00 58.36 O +HETATM 3490 O HOH H 318 40.435 4.788 5.242 1.00 58.96 O +HETATM 3491 O HOH H 319 45.240 -3.548 10.561 1.00 59.02 O +HETATM 3492 O HOH H 320 18.062 -9.958 -20.676 1.00 60.18 O +HETATM 3493 O HOH H 321 10.935 -9.088 -8.722 1.00 61.71 O +HETATM 3494 O HOH H 322 32.517 22.504 14.822 1.00 63.61 O +HETATM 3495 O HOH H 323 45.551 19.732 23.075 1.00 64.65 O +HETATM 3496 O HOH H 324 39.597 8.199 7.179 1.00 65.66 O +HETATM 3497 O HOH H 325 33.532 0.329 -16.476 1.00 65.82 O +HETATM 3498 O HOH H 326 43.173 -2.217 17.519 1.00 65.89 O +HETATM 3499 O HOH H 327 42.203 -4.697 13.756 1.00 65.98 O +HETATM 3500 O HOH H 328 72.235 19.907 16.381 1.00 71.43 O +HETATM 3501 O HOH H 329 14.540 -11.146 -15.885 1.00 71.47 O +HETATM 3502 O HOH H 330 69.138 6.644 20.888 1.00 71.89 O +HETATM 3503 O HOH H 331 15.390 2.139 3.797 1.00 71.92 O +HETATM 3504 O HOH H 332 13.244 -13.611 -12.311 1.00 72.75 O +HETATM 3505 O HOH H 333 24.535 3.474 11.855 1.00 75.97 O +HETATM 3506 O HOH H 334 47.878 9.548 2.771 1.00 77.36 O +HETATM 3507 O HOH H 335 61.228 6.922 -0.216 1.00 81.54 O +HETATM 3508 O HOH H 336 43.877 -0.548 9.499 1.00 91.54 O +HETATM 3509 O HOH H 337 38.519 -2.615 -16.251 1.00 93.99 O +CONECT 165 653 +CONECT 653 165 +CONECT 994 1491 +CONECT 1491 994 +CONECT 1783 2364 +CONECT 2364 1783 +CONECT 2721 3133 +CONECT 3133 2721 +CONECT 3254 3255 3259 3260 3261 +CONECT 3255 3254 3256 +CONECT 3256 3255 3257 +CONECT 3257 3256 3258 +CONECT 3258 3257 3259 +CONECT 3259 3254 3258 +CONECT 3260 3254 +CONECT 3261 3254 3262 +CONECT 3262 3261 3263 +CONECT 3263 3262 3264 3268 +CONECT 3264 3263 3265 +CONECT 3265 3264 3266 +CONECT 3266 3265 3267 3269 +CONECT 3267 3266 3268 +CONECT 3268 3263 3267 +CONECT 3269 3266 3270 +CONECT 3270 3269 3271 3272 +CONECT 3271 3270 +CONECT 3272 3270 3273 +CONECT 3273 3272 3274 +CONECT 3274 3273 3275 +CONECT 3275 3274 3276 3277 +CONECT 3276 3275 +CONECT 3277 3275 +MASTER 296 0 1 2 34 0 3 6 3507 2 32 34 +END diff --git a/Biopool/Tests/data/25C8_mini.cif b/Biopool/Tests/data/25C8_mini.cif new file mode 100644 index 0000000..901db90 --- /dev/null +++ b/Biopool/Tests/data/25C8_mini.cif @@ -0,0 +1,75 @@ +data_25C8 +# +_entry.id 25C8 +# +_audit_conform.dict_name mmcif_pdbx.dic +_audit_conform.dict_version 4.007 +_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic +# +_database_2.database_id PDB +_database_2.database_code 25C8 +# +loop_ +_database_PDB_rev.num +_database_PDB_rev.date +_database_PDB_rev.date_original +_database_PDB_rev.status +_database_PDB_rev.replaces +_database_PDB_rev.mod_type +1 1999-03-23 1998-03-18 ? 25C8 0 +2 1999-07-09 ? ? 25C8 1 +3 2009-02-24 ? ? 25C8 1 +# +loop_ +_database_PDB_rev_record.rev_num +_database_PDB_rev_record.type +_database_PDB_rev_record.details +2 JRNL ? +3 VERSN ? +# +_pdbx_database_status.status_code REL +_pdbx_database_status.entry_id 25C8 +_pdbx_database_status.deposit_site ? +_pdbx_database_status.process_site ? +_pdbx_database_status.status_code_sf REL +_pdbx_database_status.status_code_mr ? +_pdbx_database_status.SG_entry ? +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +_atom_site.Cartn_x_esd +_atom_site.Cartn_y_esd +_atom_site.Cartn_z_esd +_atom_site.occupancy_esd +_atom_site.B_iso_or_equiv_esd +_atom_site.pdbx_formal_charge +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.pdbx_PDB_model_num +ATOM 1 N N . ASP A 1 1 ? 20.906 -15.638 12.067 1.00 47.61 ? ? ? ? ? ? 1 ASP L N 1 +ATOM 2 C CA . ASP A 1 1 ? 22.290 -15.122 12.255 1.00 43.71 ? ? ? ? ? ? 1 ASP L CA 1 +ATOM 3 C C . ASP A 1 1 ? 23.217 -16.226 12.755 1.00 39.92 ? ? ? ? ? ? 1 ASP L C 1 +ATOM 4 O O . ASP A 1 1 ? 23.358 -16.444 13.953 1.00 40.04 ? ? ? ? ? ? 1 ASP L O 1 +ATOM 5 C CB . ASP A 1 1 ? 22.272 -13.964 13.248 1.00 46.21 ? ? ? ? ? ? 1 ASP L CB 1 +ATOM 6 C CG . ASP A 1 1 ? 21.011 -13.950 14.085 1.00 50.61 ? ? ? ? ? ? 1 ASP L CG 1 +ATOM 7 O OD1 . ASP A 1 1 ? 20.696 -14.987 14.702 1.00 56.57 ? ? ? ? ? ? 1 ASP L OD1 1 +ATOM 8 O OD2 . ASP A 1 1 ? 20.326 -12.910 14.124 1.00 56.60 ? ? ? ? ? ? 1 ASP L OD2 1 +ATOM 9 N N . ILE A 1 2 ? 23.829 -16.941 11.824 1.00 34.30 ? ? ? ? ? ? 2 ILE L N 1 +ATOM 10 C CA . ILE A 1 2 ? 24.762 -17.997 12.187 1.00 31.02 ? ? ? ? ? ? 2 ILE L CA 1 +# diff --git a/Biopool/Tests/data/CIFTest.cif b/Biopool/Tests/data/CIFTest.cif new file mode 100644 index 0000000..ec5f201 --- /dev/null +++ b/Biopool/Tests/data/CIFTest.cif @@ -0,0 +1,104 @@ +data_25C8 +# +_entry.id 25C8 +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +_atom_site.Cartn_x_esd +_atom_site.Cartn_y_esd +_atom_site.Cartn_z_esd +_atom_site.occupancy_esd +_atom_site.B_iso_or_equiv_esd +_atom_site.pdbx_formal_charge +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.pdbx_PDB_model_num +ATOM 1 N N . ASP A 1 1 ? 20.906 -15.638 12.067 1.00 47.61 ? ? ? ? ? ? 1 ASP A N 1 +ATOM 2 C CA . ASP A 1 1 ? 22.290 -15.122 12.255 1.00 43.71 ? ? ? ? ? ? 1 ASP A CA 1 +ATOM 3 C C . ASP A 1 1 ? 23.217 -16.226 12.755 1.00 39.92 ? ? ? ? ? ? 1 ASP A C 1 +ATOM 4 O O . ASP A 1 1 ? 23.358 -16.444 13.953 1.00 40.04 ? ? ? ? ? ? 1 ASP A O 1 +ATOM 5 C CB . ASP A 1 1 ? 22.272 -13.964 13.248 1.00 46.21 ? ? ? ? ? ? 1 ASP A CB 1 +ATOM 6 C CG . ASP A 1 1 ? 21.011 -13.950 14.085 1.00 50.61 ? ? ? ? ? ? 1 ASP A CG 1 +ATOM 7 O OD1 . ASP A 1 1 ? 20.696 -14.987 14.702 1.00 56.57 ? ? ? ? ? ? 1 ASP A OD1 1 +ATOM 8 O OD2 . ASP A 1 1 ? 20.326 -12.910 14.124 1.00 56.60 ? ? ? ? ? ? 1 ASP A OD2 1 +ATOM 9 N N . ILE A 1 2 ? 23.829 -16.941 11.824 1.00 34.30 ? ? ? ? ? ? 2 ILE B N 1 +ATOM 10 C CA . ILE A 1 2 ? 24.762 -17.997 12.187 1.00 31.02 ? ? ? ? ? ? 2 ILE B CA 1 +ATOM 11 C C . ILE A 1 2 ? 26.070 -17.316 12.586 1.00 27.13 ? ? ? ? ? ? 2 ILE B C 1 +ATOM 12 O O . ILE A 1 2 ? 26.765 -16.747 11.751 1.00 28.79 ? ? ? ? ? ? 2 ILE B O 1 +ATOM 13 C CB . ILE A 1 2 ? 25.008 -18.957 10.995 1.00 30.40 ? ? ? ? ? ? 2 ILE B CB 1 +ATOM 14 C CG1 . ILE A 1 2 ? 23.716 -19.705 10.660 1.00 28.41 ? ? ? ? ? ? 2 ILE B CG1 1 +ATOM 15 C CG2 . ILE A 1 2 ? 26.128 -19.937 11.320 1.00 26.66 ? ? ? ? ? ? 2 ILE B CG2 1 +ATOM 16 C CD1 . ILE A 1 2 ? 23.709 -20.336 9.277 1.00 29.60 ? ? ? ? ? ? 2 ILE B CD1 1 +ATOM 17 N N . VAL A 1 3 ? 26.395 -17.367 13.871 1.00 25.00 ? ? ? ? ? ? 3 VAL B N 1 +ATOM 18 C CA . VAL A 1 3 ? 27.603 -16.736 14.372 1.00 24.58 ? ? ? ? ? ? 3 VAL B CA 1 +ATOM 19 C C . VAL A 1 3 ? 28.822 -17.618 14.184 1.00 24.54 ? ? ? ? ? ? 3 VAL B C 1 +ATOM 20 O O . VAL A 1 3 ? 28.787 -18.810 14.497 1.00 26.07 ? ? ? ? ? ? 3 VAL B O 1 +ATOM 21 C CB . VAL A 1 3 ? 27.461 -16.402 15.871 1.00 25.45 ? ? ? ? ? ? 3 VAL B CB 1 +ATOM 22 C CG1 . VAL A 1 3 ? 28.754 -15.797 16.399 1.00 24.45 ? ? ? ? ? ? 3 VAL B CG1 1 +ATOM 23 C CG2 . VAL A 1 3 ? 26.291 -15.457 16.078 1.00 25.38 ? ? ? ? ? ? 3 VAL B CG2 1 +ATOM 24 N N . LEU A 1 4 ? 29.899 -17.026 13.675 1.00 23.73 ? ? ? ? ? ? 4 LEU C N 1 +ATOM 25 C CA . LEU A 1 4 ? 31.145 -17.754 13.456 1.00 23.33 ? ? ? ? ? ? 4 LEU C CA 1 +ATOM 26 C C . LEU A 1 4 ? 32.192 -17.270 14.449 1.00 26.33 ? ? ? ? ? ? 4 LEU C C 1 +ATOM 27 O O . LEU A 1 4 ? 32.403 -16.064 14.602 1.00 29.53 ? ? ? ? ? ? 4 LEU C O 1 +ATOM 28 C CB . LEU A 1 4 ? 31.649 -17.545 12.025 1.00 20.09 ? ? ? ? ? ? 4 LEU C CB 1 +ATOM 29 C CG . LEU A 1 4 ? 30.691 -17.835 10.862 1.00 17.59 ? ? ? ? ? ? 4 LEU C CG 1 +ATOM 30 C CD1 . LEU A 1 4 ? 31.376 -17.452 9.566 1.00 17.43 ? ? ? ? ? ? 4 LEU C CD1 1 +ATOM 31 C CD2 . LEU A 1 4 ? 30.296 -19.304 10.821 1.00 15.68 ? ? ? ? ? ? 4 LEU C CD2 1 +ATOM 32 N N . THR A 1 5 ? 32.843 -18.212 15.126 1.00 27.56 ? ? ? ? ? ? 5 THR D N 1 +ATOM 33 C CA . THR A 1 5 ? 33.864 -17.879 16.120 1.00 24.76 ? ? ? ? ? ? 5 THR D CA 1 +ATOM 34 C C . THR A 1 5 ? 35.219 -18.433 15.699 1.00 21.76 ? ? ? ? ? ? 5 THR D C 1 +ATOM 35 O O . THR A 1 5 ? 35.357 -19.624 15.450 1.00 23.44 ? ? ? ? ? ? 5 THR D O 1 +ATOM 36 C CB . THR A 1 5 ? 33.479 -18.451 17.509 1.00 25.21 ? ? ? ? ? ? 5 THR D CB 1 +ATOM 37 O OG1 . THR A 1 5 ? 32.245 -17.863 17.939 1.00 28.00 ? ? ? ? ? ? 5 THR D OG1 1 +ATOM 38 C CG2 . THR A 1 5 ? 34.548 -18.147 18.531 1.00 24.03 ? ? ? ? ? ? 5 THR D CG2 1 +ATOM 39 N N . GLN A 1 6 ? 36.219 -17.564 15.618 1.00 21.82 ? ? ? ? ? ? 6 GLN D N 1 +ATOM 40 C CA . GLN A 1 6 ? 37.557 -17.983 15.205 1.00 21.68 ? ? ? ? ? ? 6 GLN D CA 1 +ATOM 41 C C . GLN A 1 6 ? 38.547 -18.022 16.362 1.00 24.05 ? ? ? ? ? ? 6 GLN D C 1 +ATOM 42 O O . GLN A 1 6 ? 38.608 -17.104 17.173 1.00 25.91 ? ? ? ? ? ? 6 GLN D O 1 +ATOM 43 C CB . GLN A 1 6 ? 38.084 -17.051 14.103 1.00 19.73 ? ? ? ? ? ? 6 GLN D CB 1 +ATOM 44 C CG . GLN A 1 6 ? 37.633 -17.447 12.686 1.00 19.70 ? ? ? ? ? ? 6 GLN D CG 1 +ATOM 45 C CD . GLN A 1 6 ? 38.049 -16.452 11.611 1.00 18.58 ? ? ? ? ? ? 6 GLN D CD 1 +ATOM 46 O OE1 . GLN A 1 6 ? 37.322 -15.505 11.317 1.00 22.23 ? ? ? ? ? ? 6 GLN D OE1 1 +ATOM 47 N NE2 . GLN A 1 6 ? 39.218 -16.669 11.014 1.00 17.75 ? ? ? ? ? ? 6 GLN D NE2 1 +ATOM 48 N N . SER A 2 7 ? 39.319 -19.099 16.429 1.00 28.93 ? ? ? ? ? ? 7 SER A N 2 +ATOM 49 C CA . SER A 2 7 ? 40.319 -19.288 17.473 1.00 33.39 ? ? ? ? ? ? 7 SER A CA 2 +ATOM 50 C C . SER A 2 7 ? 41.622 -19.719 16.811 1.00 34.55 ? ? ? ? ? ? 7 SER A C 2 +ATOM 51 O O . SER A 2 7 ? 41.625 -20.580 15.941 1.00 38.60 ? ? ? ? ? ? 7 SER A O 2 +ATOM 52 C CB . SER A 2 7 ? 39.845 -20.369 18.458 1.00 37.79 ? ? ? ? ? ? 7 SER A CB 2 +ATOM 53 O OG . SER A 2 7 ? 40.767 -20.566 19.518 1.00 42.02 ? ? ? ? ? ? 7 SER A OG 2 +ATOM 54 N N . PRO A 2 8 ? 42.750 -19.111 17.194 1.00 33.64 ? ? ? ? ? ? 8 PRO B N 2 +ATOM 55 C CA . PRO A 2 8 ? 42.909 -18.050 18.192 1.00 34.27 ? ? ? ? ? ? 8 PRO B CA 2 +ATOM 56 C C . PRO A 2 8 ? 42.704 -16.662 17.583 1.00 33.27 ? ? ? ? ? ? 8 PRO B C 2 +ATOM 57 O O . PRO A 2 8 ? 42.658 -16.523 16.359 1.00 33.14 ? ? ? ? ? ? 8 PRO B O 2 +ATOM 58 C CB . PRO A 2 8 ? 44.342 -18.240 18.670 1.00 36.67 ? ? ? ? ? ? 8 PRO B CB 2 +ATOM 59 C CG . PRO A 2 8 ? 45.057 -18.756 17.444 1.00 34.72 ? ? ? ? ? ? 8 PRO B CG 2 +ATOM 60 C CD . PRO A 2 8 ? 44.044 -19.513 16.616 1.00 33.33 ? ? ? ? ? ? 8 PRO B CD 2 +ATOM 61 N N . ALA A 2 9 ? 42.586 -15.644 18.434 1.00 29.41 ? ? ? ? ? ? 9 ALA B N 2 +ATOM 62 C CA . ALA A 2 9 ? 42.408 -14.275 17.959 1.00 32.30 ? ? ? ? ? ? 9 ALA B CA 2 +ATOM 63 C C . ALA A 2 9 ? 43.711 -13.771 17.333 1.00 32.00 ? ? ? ? ? ? 9 ALA B C 2 +ATOM 64 O O . ALA A 2 9 ? 43.713 -13.238 16.224 1.00 31.23 ? ? ? ? ? ? 9 ALA B O 2 +ATOM 65 C CB . ALA A 2 9 ? 41.990 -13.370 19.097 1.00 32.96 ? ? ? ? ? ? 9 ALA B CB 2 +ATOM 66 N N . ILE A 2 10 ? 44.818 -13.930 18.046 1.00 31.40 ? ? ? ? ? ? 10 ILE B N 2 +ATOM 67 C CA . ILE A 2 10 ? 46.114 -13.522 17.521 1.00 32.76 ? ? ? ? ? ? 10 ILE B CA 2 +ATOM 68 C C . ILE A 2 10 ? 47.057 -14.692 17.752 1.00 33.22 ? ? ? ? ? ? 10 ILE B C 2 +ATOM 69 O O . ILE A 2 10 ? 46.830 -15.509 18.638 1.00 34.55 ? ? ? ? ? ? 10 ILE B O 2 +ATOM 70 C CB . ILE A 2 10 ? 46.692 -12.278 18.254 1.00 35.18 ? ? ? ? ? ? 10 ILE B CB 2 +ATOM 71 C CG1 . ILE A 2 10 ? 45.634 -11.177 18.362 1.00 38.02 ? ? ? ? ? ? 10 ILE B CG1 2 +ATOM 72 C CG2 . ILE A 2 10 ? 47.904 -11.742 17.490 1.00 33.09 ? ? ? ? ? ? 10 ILE B CG2 2 +ATOM 73 C CD1 . ILE A 2 10 ? 46.211 -9.786 18.651 1.00 35.97 ? ? ? ? ? ? 10 ILE B CD1 2 \ No newline at end of file diff --git a/Makefile b/Makefile index c0f7aa4..0c6ac4f 100644 --- a/Makefile +++ b/Makefile @@ -48,6 +48,9 @@ test: all depend: subdepend +all: + make + # # Call global Makefile to do the job. # diff --git a/tools/IoTools.cc b/tools/IoTools.cc index 6f537cf..9e93208 100644 --- a/tools/IoTools.cc +++ b/tools/IoTools.cc @@ -153,7 +153,14 @@ template int readNumber(istream& is, int& result); /** * @Description: read a whole line into a string*/ string readLine(istream& is) { + return readLine(is,true); +} + +/** + * @Description: read a whole line into a string*/ +string readLine(istream& is, bool _eatComment){ string str = ""; + if(_eatComment) eatComment(is); char c; while (is.get(c)) { diff --git a/tools/IoTools.h b/tools/IoTools.h index 85bbda9..bc6e134 100644 --- a/tools/IoTools.h +++ b/tools/IoTools.h @@ -57,6 +57,9 @@ template int readNumber(istream& is, T& result); /// Read a whole line into a string. string readLine(istream& is); +/// Read a whole line into a string. +string readLine(istream& is, bool ignoreComment); + /// Skips to new line. void skipToNewLine(istream& is);