diff --git a/.github/workflows/main.yml b/.github/workflows/main.yml new file mode 100644 index 0000000..02d7dda --- /dev/null +++ b/.github/workflows/main.yml @@ -0,0 +1,32 @@ +name: CI + +on: [push, pull_request, workflow_dispatch] + +env: + MIN_COVERAGE_REQUIRED: 80 + + +jobs: + test: + if: github.event_name != 'pull_request' || github.event.pull_request.head.repo.full_name != github.event.pull_request.base.repo.full_name + runs-on: ubuntu-latest + timeout-minutes: 10 + defaults: + run: + shell: bash -l {0} + + steps: + - uses: actions/checkout@v3 + - name: Test outputs + run: | + python -m pip install . + python -m pip install coverage + bash run_test.sh + - name: Test with old biopython + run: | + python -m pip install biopython==1.79 + bash run_test.sh + - name: Coverage + run: | + coverage report + test $(coverage report | grep TOTAL | awk '{ print $4 }' | tr -d "%") -ge $MIN_COVERAGE_REQUIRED diff --git a/DockQ.py b/DockQ.py deleted file mode 100755 index 70ad789..0000000 --- a/DockQ.py +++ /dev/null @@ -1,732 +0,0 @@ -#!/usr/bin/env python - -import Bio.PDB -import warnings -from Bio import BiopythonWarning -warnings.simplefilter('ignore', BiopythonWarning) -import sys -import os -import re -import tempfile -import numpy as np -from Bio.SVDSuperimposer import SVDSuperimposer -from math import sqrt -from argparse import ArgumentParser -import itertools -import subprocess - -def parse_fnat(fnat_out): - fnat=-1; - nat_correct=-1 - nat_total=-1 - fnonnat=-1 - nonnat_count=-1 - model_total=-1 - inter=[] - for line in fnat_out.split("\n"): -# print line - line=line.rstrip('\n') - match=re.search(r'NATIVE: (\d+)(\w) (\d+)(\w)',line) - if(re.search(r'^Fnat',line)): - list=line.split(' ') - fnat=float(list[3]) - nat_correct=int(list[1]) - nat_total=int(list[2]) - elif(re.search(r'^Fnonnat',line)): - list=line.split(' ') - fnonnat=float(list[3]) - nonnat_count=int(list[1]) - model_total=int(list[2]) - elif(match): - #print line - res1=match.group(1) - chain1=match.group(2) - res2=match.group(3) - chain2=match.group(4) - # print res1 + ' ' + chain1 + ' ' + res2 + ' ' + chain2 - inter.append(res1 + chain1) - inter.append(res2 + chain2) - return (fnat,nat_correct,nat_total,fnonnat,nonnat_count,model_total,inter) - -def capri_class(fnat,iRMS,LRMS,capri_peptide=False): - - - if capri_peptide: - - if(fnat < 0.2 or (LRMS > 5.0 and iRMS > 2.0)): - return 'Incorrect' - elif((fnat >= 0.2 and fnat < 0.5) and (LRMS <= 5.0 or iRMS <= 2.0) or (fnat >= 0.5 and LRMS > 2.0 and iRMS > 1.0)): - return 'Acceptable' - elif((fnat >= 0.5 and fnat < 0.8) and (LRMS <= 2.0 or iRMS <= 1.0) or (fnat >= 0.8 and LRMS > 1.0 and iRMS > 0.5)): - return 'Medium' - elif(fnat >= 0.8 and (LRMS <= 1.0 or iRMS <= 0.5)): - return 'High' - else: - return 'Undef' - else: - - if(fnat < 0.1 or (LRMS > 10.0 and iRMS > 4.0)): - return 'Incorrect' - elif((fnat >= 0.1 and fnat < 0.3) and (LRMS <= 10.0 or iRMS <= 4.0) or (fnat >= 0.3 and LRMS > 5.0 and iRMS > 2.0)): - return 'Acceptable' - elif((fnat >= 0.3 and fnat < 0.5) and (LRMS <= 5.0 or iRMS <= 2.0) or (fnat >= 0.5 and LRMS > 1.0 and iRMS > 1.0)): - return 'Medium' - elif(fnat >= 0.5 and (LRMS <= 1.0 or iRMS <= 1.0)): - return 'High' - else: - return 'Undef' - - -def capri_class_DockQ(DockQ,capri_peptide=False): - - if capri_peptide: - return 'Undef for capri_peptides' - - (c1,c2,c3)=(0.23,0.49,0.80) - if(DockQ < c1): - return 'Incorrect' - elif(DockQ >= c1 and DockQ < c2): - return 'Acceptable' - elif(DockQ >= c2 and DockQ < c3): - return 'Medium' - elif(DockQ >= c3): - return 'High' - else: - return 'Undef' - - -def calc_DockQ(model,native,use_CA_only=False,capri_peptide=False): - -# exec_path=os.path.dirname(os.path.abspath(sys.argv[0])) - exec_path=os.path.dirname(os.path.abspath(__file__)) - atom_for_sup=['CA','C','N','O'] - if(use_CA_only): - atom_for_sup=['CA'] - - - cmd_fnat=exec_path + '/fnat ' + model + ' ' + native + ' 5 -all' - cmd_interface=exec_path + '/fnat ' + model + ' ' + native + ' 10 -all' - - if capri_peptide: - cmd_fnat=exec_path + '/fnat ' + model + ' ' + native + ' 4 -all' - cmd_interface=exec_path + '/fnat ' + model + ' ' + native + ' 8 -cb' - - fnat_out = os.popen(cmd_fnat).read() - - #fnat_out = subprocess.getoutput(cmd_fnat) - #print(fnat_out) - # sys.exit() - (fnat,nat_correct,nat_total,fnonnat,nonnat_count,model_total,interface5A)=parse_fnat(fnat_out) - assert fnat!=-1, "Error running cmd: %s\n" % (cmd_fnat) - inter_out = os.popen(cmd_interface).read() -# inter_out = subprocess.getoutput(cmd_interface) - - (fnat_bb,nat_correct_bb,nat_total_bb,fnonnat_bb,nonnat_count_bb,model_total_bb,interface)=parse_fnat(inter_out) - assert fnat_bb!=-1, "Error running cmd: %s\n" % (cmd_interface) - - #print fnat - #Use same interface as for fnat for iRMS - #interface=interface5A - - - # Start the parser - pdb_parser = Bio.PDB.PDBParser(QUIET = True) - - # Get the structures - ref_structure = pdb_parser.get_structure("reference", native) - sample_structure = pdb_parser.get_structure("model", model) - - # Use the first model in the pdb-files for alignment - # Change the number 0 if you want to align to another structure - ref_model = ref_structure[0] - sample_model = sample_structure[0] - - # Make a list of the atoms (in the structures) you wish to align. - # In this case we use CA atoms whose index is in the specified range - ref_atoms = [] - sample_atoms = [] - - common_interface=[] - - chain_res={} - - - #find atoms common in both sample and native - atoms_def_sample=[] - atoms_def_in_both=[] - #first read in sample - for sample_chain in sample_model: -# print sample_chain - chain=sample_chain.id -# print chain - for sample_res in sample_chain: - # print sample_res - if sample_res.get_id()[0] != ' ': #Skip hetatm. - continue - resname=sample_res.get_id()[1] - key=str(resname) + chain - for a in atom_for_sup: - atom_key=key + '.' + a - if a in sample_res: - if atom_key in atoms_def_sample: - print(atom_key + ' already added (MODEL)!!!') - atoms_def_sample.append(atom_key) - - #then read in native also present in sample - for ref_chain in ref_model: - chain=ref_chain.id - for ref_res in ref_chain: - #print ref_res - if ref_res.get_id()[0] != ' ': #Skip hetatm. -# print ref_res.get_id() - continue - resname=ref_res.get_id()[1] - key=str(resname) + chain - for a in atom_for_sup: - atom_key=key + '.' + a - if a in ref_res and atom_key in atoms_def_sample: - if atom_key in atoms_def_in_both: - print(atom_key + ' already added (Native)!!!') - atoms_def_in_both.append(atom_key) - - -# print atoms_def_in_both - for sample_chain in sample_model: - chain=sample_chain.id - if chain not in list(chain_res.keys()): - chain_res[chain]=[] - for sample_res in sample_chain: - if sample_res.get_id()[0] != ' ': #Skip hetatm. - continue - resname=sample_res.get_id()[1] - key=str(resname) + chain - chain_res[chain].append(key) - if key in interface: - for a in atom_for_sup: - atom_key=key + '.' + a - if a in sample_res and atom_key in atoms_def_in_both: - sample_atoms.append(sample_res[a]) - common_interface.append(key) - - #print inter_pairs - - chain_ref={} - common_residues=[] - - - - # Iterate of all chains in the model in order to find all residues - for ref_chain in ref_model: - # Iterate of all residues in each model in order to find proper atoms - # print dir(ref_chain) - chain=ref_chain.id - if chain not in list(chain_ref.keys()): - chain_ref[chain]=[] - for ref_res in ref_chain: - if ref_res.get_id()[0] != ' ': #Skip hetatm. - continue - resname=ref_res.get_id()[1] - key=str(resname) + chain - - #print ref_res - # print key - # print chain_res.values() - if key in chain_res[chain]: # if key is present in sample - #print key - for a in atom_for_sup: - atom_key=key + '.' + a - if a in ref_res and atom_key in atoms_def_in_both: - chain_ref[chain].append(ref_res[a]) - common_residues.append(key) - #chain_sample.append((ref_res['CA']) - if key in common_interface: - # Check if residue number ( .get_id() ) is in the list - # Append CA atom to list - #print key - for a in atom_for_sup: - atom_key=key + '.' + a - #print atom_key - if a in ref_res and atom_key in atoms_def_in_both: - ref_atoms.append(ref_res[a]) - - - - #get the ones that are present in native - chain_sample={} - for sample_chain in sample_model: - chain=sample_chain.id - if chain not in list(chain_sample.keys()): - chain_sample[chain]=[] - for sample_res in sample_chain: - if sample_res.get_id()[0] != ' ': #Skip hetatm. - continue - resname=sample_res.get_id()[1] - key=str(resname) + chain - if key in common_residues: - for a in atom_for_sup: - atom_key=key + '.' + a - if a in sample_res and atom_key in atoms_def_in_both: - chain_sample[chain].append(sample_res[a]) - - #if key in common_residues: - # print key - #sample_atoms.append(sample_res['CA']) - #common_interface.append(key) - - - assert len(ref_atoms)!=0, "length of native is zero" - assert len(sample_atoms)!=0, "length of model is zero" - assert len(ref_atoms)==len(sample_atoms), "Different number of atoms in native and model %d %d\n" % (len(ref_atoms),len(sample_atoms)) - - super_imposer = Bio.PDB.Superimposer() - super_imposer.set_atoms(ref_atoms, sample_atoms) - super_imposer.apply(sample_model.get_atoms()) - - # Print RMSD: - irms=super_imposer.rms - - (chain1,chain2)=list(chain_sample.keys()) - - ligand_chain=chain1 - receptor_chain=chain2 - len1=len(chain_res[chain1]) - len2=len(chain_res[chain2]) - - assert len1!=0, "%s chain has zero length!\n" % chain1 - assert len2!=0, "%s chain has zero length!\n" % chain2 - - class1='ligand' - class2='receptor' - if(len(chain_sample[chain1]) > len(chain_sample[chain2])): - receptor_chain=chain1 - ligand_chain=chain2 - class1='receptor' - class2='ligand' - - - - #print len1 - #print len2 - #print chain_sample.keys() - - #Set to align on receptor - assert len(chain_ref[receptor_chain])==len(chain_sample[receptor_chain]), "Different number of atoms in native and model receptor (chain %c) %d %d\n" % (receptor_chain,len(chain_ref[receptor_chain]),len(chain_sample[receptor_chain])) - - super_imposer.set_atoms(chain_ref[receptor_chain], chain_sample[receptor_chain]) - super_imposer.apply(sample_model.get_atoms()) - receptor_chain_rms=super_imposer.rms - #print receptor_chain_rms - #print dir(super_imposer) - #print chain1_rms - - #Grep out the transformed ligand coords - - #print ligand_chain - - #print chain_ref[ligand_chain] - #print chain_sample[ligand_chain] - #l1=len(chain_ref[ligand_chain]) - #l2=len(chain_sample[ligand_chain]) - - - - - assert len(chain_ref[ligand_chain])!=0 or len(chain_sample[ligand_chain])!=0, "Zero number of equivalent atoms in native and model ligand (chain %s) %d %d.\nCheck that the residue numbers in model and native is consistent\n" % (ligand_chain,len(chain_ref[ligand_chain]),len(chain_sample[ligand_chain])) - - - assert len(chain_ref[ligand_chain])==len(chain_sample[ligand_chain]), "Different number of atoms in native and model ligand (chain %c) %d %d\n" % (ligand_chain,len(chain_ref[ligand_chain]),len(chain_sample[ligand_chain])) - - coord1=np.array([atom.coord for atom in chain_ref[ligand_chain]]) - coord2=np.array([atom.coord for atom in chain_sample[ligand_chain]]) - - #coord1=np.array([atom.coord for atom in chain_ref[receptor_chain]]) - #coord2=np.array([atom.coord for atom in chain_sample[receptor_chain]]) - - #print len(coord1) - #print len(coord2) - - sup=SVDSuperimposer() - Lrms = sup._rms(coord1,coord2) #using the private _rms function which does not superimpose - - - #super_imposer.set_atoms(chain_ref[ligand_chain], chain_sample[ligand_chain]) - #super_imposer.apply(sample_model.get_atoms()) - #coord1=np.array([atom.coord for atom in chain_ref[receptor_chain]]) - #coord2=np.array([atom.coord for atom in chain_sample[receptor_chain]]) - #Rrms= sup._rms(coord1,coord2) - #should give same result as above line - #diff = coord1-coord2 - #l = len(diff) #number of atoms - #from math import sqrt - #print sqrt(sum(sum(diff*diff))/l) - #print np.sqrt(np.sum(diff**2)/l) - DockQ=(float(fnat) + 1/(1+(irms/1.5)*(irms/1.5)) + 1/(1+(Lrms/8.5)*(Lrms/8.5)))/3 - info={} - info['DockQ']=DockQ - info['irms']=irms - info['Lrms']=Lrms - info['fnat']=fnat - info['nat_correct']=nat_correct - info['nat_total']=nat_total - - info['fnonnat']=fnonnat - info['nonnat_count']=nonnat_count - info['model_total']=model_total - - info['chain1']=chain1 - info['chain2']=chain2 - info['len1']=len1 - info['len2']=len2 - info['class1']=class1 - info['class2']=class2 - - return info - -def get_pdb_chains(pdb): - pdb_parser = Bio.PDB.PDBParser(QUIET = True) - pdb_struct = pdb_parser.get_structure("reference", pdb)[0] - chain=[] - for c in pdb_struct: - chain.append(c.id) - return chain -#ATOM 3312 CA -#ATOM 3315 CB ALA H 126 -21.802 31.674 73.597 1.00 58.05 C - -def make_two_chain_pdb(pdb,group1,group2): #renumber from 1 - pdb_parser = Bio.PDB.PDBParser(QUIET = True) - pdb_struct = pdb_parser.get_structure("reference", pdb)[0] - for c in pdb_struct: - if c.id in group1: - c.id='A' - if c.id in group2: - c.id='B' - (code,outfile)=tempfile.mkstemp() - io=Bio.PDB.PDBIO() - io.set_structure(pdb_struct) - io.save(outfile) - exec_path=os.path.dirname(os.path.abspath(sys.argv[0])) - cmd=exec_path + '/scripts/renumber_pdb.pl ' + outfile - os.system(cmd) - os.remove(outfile) - return outfile +'.renum' - -def change_chain(pdb_string,chain): - new_str=[]; - for line in pdb_string: - s=list(line); - s[21]=chain; - new_str.append("".join(s)); - return "\n".join(new_str); - -def make_two_chain_pdb_perm(pdb,group1,group2): #not yet ready - pdb_chains={} - f=open(pdb); - for line in f.readlines(): - if line[0:4] == "ATOM": - # s=list(line); - #print line - chain=line[21] - atom=line[13:16] - resnum=int(line[22:26]) - # print atom + ':' + str(resnum) +':' - if chain not in pdb_chains: - pdb_chains[chain]=[] - pdb_chains[chain].append(line) - # print line - # s[21]='B' - # print "".join(s) -# print chain - - - f.close() - #sys.exit() - (code,outfile)=tempfile.mkstemp() - f=open(outfile,'w') - for c in group1: - # print pdb_chains[c] - f.write(change_chain(pdb_chains[c],"A")) - f.write("TER\n"); - for c in group2: - f.write(change_chain(pdb_chains[c],"B")) - f.close(); - #print outfile - exec_path=os.path.dirname(os.path.abspath(sys.argv[0])) - cmd=exec_path + '/scripts/renumber_pdb.pl ' + outfile - os.system(cmd) - os.remove(outfile) - return outfile +'.renum' - -def main(): - - parser=ArgumentParser(description="DockQ - Quality measure for protein-protein docking models") - parser.add_argument('model',metavar='',type=str,nargs=1,help='path to model file') - parser.add_argument('native',metavar='',type=str,nargs=1,help='path to native file') - parser.add_argument('-capri_peptide',default=False,action='store_true',help='use version for capri_peptide (DockQ cannot not be trusted for this setting)') - parser.add_argument('-short',default=False,action='store_true',help='short output') - parser.add_argument('-verbose',default=False,action='store_true',help='talk a lot!') - parser.add_argument('-quiet',default=False,action='store_true',help='keep quiet!') - parser.add_argument('-useCA',default=False,action='store_true',help='use CA instead of backbone') - parser.add_argument('-skip_check',default=False,action='store_true',help='skip initial check fo speed up on two chain examples') - parser.add_argument('-no_needle',default=False,action='store_true',help='do not use global alignment to fix residue numbering between native and model during chain permutation (use only in case needle is not installed, and the residues between the chains are identical') - parser.add_argument('-perm1',default=False,action='store_true',help='use all chain1 permutations to find maximum DockQ (number of comparisons is n! = 24, if combined with -perm2 there will be n!*m! combinations') - parser.add_argument('-perm2',default=False,action='store_true',help='use all chain2 permutations to find maximum DockQ (number of comparisons is n! = 24, if combined with -perm1 there will be n!*m! combinations') -# parser.add_argument('-comb',default=False,action='store_true',help='use all cyclicchain permutations to find maximum DockQ (number of comparisons is n!*m! = 24*24 = 576 for two tetramers interacting') - parser.add_argument('-model_chain1',metavar='model_chain1', type=str,nargs='+', help='pdb chain order to group together partner 1') - parser.add_argument('-model_chain2',metavar='model_chain2', type=str,nargs='+', help='pdb chain order to group together partner 2 (complement to partner 1 if undef)') - parser.add_argument('-native_chain1',metavar='native_chain1', type=str,nargs='+', help='pdb chain order to group together from native partner 1') - parser.add_argument('-native_chain2',metavar='native_chain2', type=str,nargs='+', help='pdb chain order to group together from native partner 2 (complement to partner 1 if undef)') - - - args = parser.parse_args() - #bio_ver=1.64 - bio_ver=1.61 - if(float(Bio.__version__) < bio_ver): - print("Biopython version (%s) is too old need at least >=%.2f" % (Bio.__version__,bio_ver)) - sys.exit() - -# if(len(sys.argv)!=3): -# print "Usage: ./Dock.py " -# sys.exit() - -# print args -# print args.model[0] -# sys.exit() -# model=sys.argv[1] -# native=sys.argv[2] - - exec_path=os.path.dirname(os.path.abspath(sys.argv[0])) - fix_numbering=exec_path + '/scripts/fix_numbering.pl' - model=args.model[0] - model_in=model - native=args.native[0] - native_in=native - use_CA_only=args.useCA - capri_peptide=args.capri_peptide - - model_chains=[] - native_chains=[] - best_info='' - if(not args.skip_check): - model_chains=get_pdb_chains(model) - native_chains=get_pdb_chains(native) - files_to_clean=[] - -# print native_chains - if((len(model_chains) > 2 or len(native_chains) > 2) and - (args.model_chain1 == None and args.native_chain1 == None)): - print("Multi-chain model need sets of chains to group\nuse -native_chain1 and/or -model_chain1 if you want a different mapping than 1-1") - print("Model chains : " + str(model_chains)) - print("Native chains : " + str(native_chains)) - sys.exit() - if not args.skip_check and (len(model_chains) < 2 or len(native_chains)< 2): - print("Need at least two chains in the two inputs\n"); - sys.exit() - - if len(model_chains) > 2 or len(native_chains)> 2: - group1=model_chains[0] - group2=model_chains[1] - nat_group1=native_chains[0] - nat_group2=native_chains[1] - if(args.model_chain1 != None): - group1=args.model_chain1 - nat_group1=group1 - if(args.model_chain2 != None): - group2=args.model_chain2 - else: - #will use the complement from group1 - group2=[] - for c in model_chains: - if c not in group1: - group2.append(c) - nat_group1=group1 - nat_group2=group2 - - - if(args.native_chain1 != None): - nat_group1=args.native_chain1 - if(args.native_chain2 != None): - nat_group2=args.native_chain2 - else: - #will use the complement from group1 - nat_group2=[] - for c in native_chains: - if c not in nat_group1: - nat_group2.append(c) - - if(args.model_chain1 == None): - group1=nat_group1 - group2=nat_group2 - - #print group1 - #print group2 - - #print "native" - #print nat_group1 - #print nat_group2 - if(args.verbose): - print('Merging ' + ''.join(group1) + ' -> ' + ''.join(nat_group1) + ' to chain A') - print('Merging ' + ''.join(group2) + ' -> ' + ''.join(nat_group2) + ' to chain B') - native=make_two_chain_pdb_perm(native,nat_group1,nat_group2) - files_to_clean.append(native) - pe=0 - if args.perm1 or args.perm2: - best_DockQ=-1; - best_g1=[] - best_g2=[] - - iter_perm1=itertools.combinations(group1,len(group1)) - iter_perm2=itertools.combinations(group2,len(group2)) - if args.perm1: - iter_perm1=itertools.permutations(group1) - if args.perm2: - iter_perm2=itertools.permutations(group2) - - combos1=[]; - combos2=[]; - for g1 in iter_perm1:#_temp: - combos1.append(g1) - for g2 in iter_perm2: - combos2.append(g2) - - for g1 in combos1: - for g2 in combos2: - pe=pe+1 - # print str(g1)+' '+str(g2) -# print pe -# print group1 -# print group2 - pe_tot=pe - pe=1 - #sys.exit() - if args.verbose: - print('Starting chain order permutation search (number of permutations: ' + str(pe_tot) + ')') - for g1 in combos1: - for g2 in combos2: - #g2=group2 - model_renum=make_two_chain_pdb_perm(model_in,g1,g2) - model_fixed=model_renum - if not args.no_needle: - fix_numbering_cmd=fix_numbering + ' ' + model_renum + ' ' + native + ' > /dev/null' - model_fixed=model_renum + ".fixed" - # print fix_numbering_cmd - os.system(fix_numbering_cmd) - os.remove(model_renum) - if not os.path.exists(model_fixed): - print('If you are sure the residues are identical you can use the options -no_needle') - sys.exit() - test_dict=calc_DockQ(model_fixed,native,use_CA_only) - os.remove(model_fixed) - if not args.quiet: - print(str(pe)+'/'+str(pe_tot) + ' ' + ''.join(g1) + ' -> ' + ''.join(g2) + ' ' + str(test_dict['DockQ'])) - if(test_dict['DockQ'] > best_DockQ): - best_DockQ=test_dict['DockQ']; - info=test_dict - best_g1=g1 - best_g2=g2 - best_info='Best score ( ' + str(best_DockQ) +' ) found for model -> native, chain1:' + ''.join(best_g1) + ' -> ' + ''.join(nat_group1) + ' chain2:' + ''.join(best_g2) + ' -> ' + ''.join(nat_group2) - - if args.verbose: - print(best_info) - if not args.quiet: - print("Current best " + str(best_DockQ)) - pe=pe+1 - if not args.quiet: - print(best_info) -# print 'Best score ( ' + str(best_DockQ) +' ) found for ' + str(best_g1) + ' ' + str(best_g2) - else: - model_renum=make_two_chain_pdb_perm(model,group1,group2) - model_fixed=model_renum - if not args.no_needle: - fix_numbering_cmd=fix_numbering + ' ' + model_renum + ' ' + native + ' > /dev/null' - model_fixed=model_renum + ".fixed" -# print fix_numbering_cmd - os.system(fix_numbering_cmd) - os.remove(model_renum) - if not os.path.exists(model_fixed): - print('If you are sure the residues are identical you can use the options -no_needle') - sys.exit() - info=calc_DockQ(model_fixed,native,use_CA_only) - - #os.system('cp ' + native + ' native_multichain.pdb') - #os.system('cp ' + model_fixed + ' .') - os.remove(model_fixed) -# files_to_clean.append(model) -# files_to_clean.append(model_fixed) - # sys.exit() - - # print native - # print model - else: - info=calc_DockQ(model,native,use_CA_only=use_CA_only,capri_peptide=capri_peptide) #False): -# info=calc_DockQ(model,native,use_CA_only=) - - irms=info['irms'] - Lrms=info['Lrms'] - fnat=info['fnat'] - DockQ=info['DockQ'] - fnonnat=info['fnonnat'] - - if(args.short): - if capri_peptide: - print(("DockQ-capri_peptide %.3f Fnat %.3f iRMS %.3f LRMS %.3f Fnonnat %.3f %s %s %s" % (DockQ,fnat,irms,Lrms,fnonnat,model_in,native_in,best_info))) - else: - print(("DockQ %.3f Fnat %.3f iRMS %.3f LRMS %.3f Fnonnat %.3f %s %s %s" % (DockQ,fnat,irms,Lrms,fnonnat,model_in,native_in,best_info))) - - else: - if capri_peptide: - print('****************************************************************') - print('* DockQ-CAPRI peptide *') - print('* Do not trust any thing you read.... *') - print('* OBS THE DEFINITION OF Fnat and iRMS are different for *') - print('* peptides in CAPRI *') - print('* *') - print('* For the record: *') - print('* Definition of contact <4A all heavy atoms (Fnat) *') - print('* Definition of interface <8A CB (iRMS) *') - print('* For comments, please email: bjorn.wallner@.liu.se *') - print('****************************************************************') - else: - print('****************************************************************') - print('* DockQ *') - print('* Scoring function for protein-protein docking models *') - print('* Statistics on CAPRI data: *') - print('* 0.00 <= DockQ < 0.23 - Incorrect *') - print('* 0.23 <= DockQ < 0.49 - Acceptable quality *') - print('* 0.49 <= DockQ < 0.80 - Medium quality *') - print('* DockQ >= 0.80 - High quality *') - print('* Reference: Sankar Basu and Bjorn Wallner, DockQ: A quality *') - print('* measure for protein-protein docking models, submitted *') - print('* *') - print('* For the record: *') - print('* Definition of contact <5A (Fnat) *') - print('* Definition of interface <10A all heavy atoms (iRMS) *') - print('* For comments, please email: bjorn.wallner@.liu.se *') - print('* *') - print('****************************************************************') - print(("Model : %s" % model_in)) - print(("Native : %s" % native_in)) - if len(best_info): - print(best_info) - print('Number of equivalent residues in chain ' + info['chain1'] + ' ' + str(info['len1']) + ' (' + info['class1'] + ')') - print('Number of equivalent residues in chain ' + info['chain2'] + ' ' + str(info['len2']) + ' (' + info['class2'] + ')') - print(("Fnat %.3f %d correct of %d native contacts" % (info['fnat'],info['nat_correct'],info['nat_total']))) - print(("Fnonnat %.3f %d non-native of %d model contacts" % (info['fnonnat'],info['nonnat_count'],info['model_total']))) - print(("iRMS %.3f" % irms)) - print(("LRMS %.3f" % Lrms)) - # print 'CAPRI ' + capri_class(fnat,irms,Lrms,capri_peptide=capri_peptide) - peptide_suffix='' - if capri_peptide: - peptide_suffix='_peptide' - #print('CAPRI use DockQ instead.') - #print(('CAPRI{} {}'.format(peptide_suffix,capri_class(fnat,irms,Lrms,capri_peptide=capri_peptide)))) - #print('DockQ_CAPRI ' + capri_class_DockQ(DockQ,capri_peptide=capri_peptide)) - peptide_disclaimer='' - if capri_peptide: - peptide_disclaimer='DockQ not reoptimized for CAPRI peptide evaluation' - print(("DockQ {:.3f} {}".format(DockQ,peptide_disclaimer))) - - for f in files_to_clean: - os.remove(f) - -if __name__ == '__main__': - main() diff --git a/LICENSE b/LICENSE deleted file mode 100644 index f288702..0000000 --- a/LICENSE +++ /dev/null @@ -1,674 +0,0 @@ - GNU GENERAL PUBLIC LICENSE - Version 3, 29 June 2007 - - Copyright (C) 2007 Free Software Foundation, Inc. - Everyone is permitted to copy and distribute verbatim copies - of this license document, but changing it is not allowed. - 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If your program is a subroutine library, you -may consider it more useful to permit linking proprietary applications with -the library. If this is what you want to do, use the GNU Lesser General -Public License instead of this License. But first, please read -. diff --git a/Makefile b/Makefile deleted file mode 100644 index 8fb078f..0000000 --- a/Makefile +++ /dev/null @@ -1,19 +0,0 @@ -FNAT=molecule.o fnat.o - -#CCFLAG=-static -static-libgcc -#CCFLAG=-w -LFLAG=-O3 -funroll-loops -Isrc/ - - -fnat: $(FNAT) - $(CC) $(LFLAG) $(CCFLAG) -o fnat $(FNAT) -lm - -fnat.o: src/fnat.c - $(CC) $(LFLAG) $(CCFLAG) -c src/fnat.c -lm -molecule.o: src/molecule.c src/molecule.h - $(CC) $(LFLAG) $(CCFLAG) -c src/molecule.c -lm - -.c.o: - $(CC) -c $(LFLAG) $(CCFLAG) $*.c -lm - - diff --git a/README.md b/README.md index baf5d7a..2ad348b 100644 --- a/README.md +++ b/README.md @@ -1,208 +1,207 @@ +![CI status](https://github.com/bjornwallner/DockQ/actions/workflows/main.yml/badge.svg) + # DockQ -Requires python packages: `numpy` and `Biopython` +**A Quality Measure for Protein-Protein Docking Models** + +## Installation + +Clone the repository, then install the necessary libraries with `pip`: -Installation ``` git clone https://github.com/bjornwallner/DockQ/ cd DockQ -make +pip install . ``` -Install (i) `numpy` (a prerequisite to install 'Biopython') and (ii) `Biopython` -- Numpy: http://www.scipy.org/install.html -- Biopython version >=1.64: http://biopython.org/wiki/Download#Installation_Instructions +## Quick start -Quick start for two interacting partners (two-chain-models) run with +After installing DockQ with `pip`, the `DockQ` binary will be in your path. Just run DockQ with: -`./DockQ.py ` +`DockQ ` -To fix the residue numbering, in case there are inconsistencies, missing residues or small sequence differences between `model` and `native` +**Example** -`scripts/fix_numbering.pl model.pdb native.pdb` +When running DockQ on model/native complexes with one or more interfaces, you will get a result for each interface. Results are computed to maximise the average DockQ across all interfaces: -will output a file, `model.pdb.fixed`, with a residue numbering corresponding to the that in the `native.pdb` based on the sequences from the two pdb files. +``` +$ DockQ examples/1A2K_r_l_b.model.pdb examples/1A2K_r_l_b.pdb + +**************************************************************** +* DockQ * +* Scoring function for protein-protein docking models * +* Statistics on CAPRI data: * +* 0.00 <= DockQ < 0.23 - Incorrect * +* 0.23 <= DockQ < 0.49 - Acceptable quality * +* 0.49 <= DockQ < 0.80 - Medium quality * +* DockQ >= 0.80 - High quality * +* Ref: S. Basu and B. Wallner, DockQ: A quality measure for * +* protein-protein docking models * +* doi:10.1371/journal.pone.0161879 * +* For comments, please email: bjorn.wallner@.liu.se * +**************************************************************** +Model : examples/1A2K_r_l_b.model.pdb +Native : examples/1A2K_r_l_b.pdb +Total DockQ over 3 native interfaces: 1.959 +Native chains: A, B + Model chains: B, A + DockQ_F1: 0.996 + DockQ: 0.994 + irms: 0.000 + Lrms: 0.000 + fnat: 0.983 +Native chains: A, C + Model chains: B, C + DockQ_F1: 0.567 + DockQ: 0.511 + irms: 1.237 + Lrms: 6.864 + fnat: 0.333 +Native chains: B, C + Model chains: A, C + DockQ_F1: 0.500 + DockQ: 0.453 + irms: 2.104 + Lrms: 8.131 + fnat: 0.500 +``` -Example +A more compact output option is available with the flag `--short`: ``` +$ DockQ examples/1A2K_r_l_b.model.pdb examples/1A2K_r_l_b.pdb --short -bash$ ./DockQ.py examples/model.pdb examples/native.pdb -*********************************************************** -* DockQ * -* Scoring function for protein-protein docking models * -* Statistics on CAPRI data: * -* 0 < DockQ < 0.23 - Incorrect * -* 0.23 <= DockQ < 0.49 - Acceptable quality * -* 0.49 <= DockQ < 0.80 - Medium quality * -* DockQ >= 0.80 - High quality * -* Reference: Sankar Basu and Bjorn Wallner, DockQ:... * -* For comments, please email: bjornw@ifm.liu.se * -*********************************************************** - -Number of equivalent residues in chain A 1492 (receptor) -Number of equivalent residues in chain B 912 (ligand) -Fnat 0.533 32 correct of 60 native contacts -Fnonnat 0.238 10 non-native of 42 model contacts -iRMS 1.232 -LRMS 1.516 -CAPRI Medium -DockQ_CAPRI Medium -DockQ 0.700 +DockQ 0.994 DockQ_F1 0.996 Fnat 0.983 iRMS 0.000 LRMS 0.000 Fnonnat 0.008 clashes 0 mapping BA:AB examples/1A2K_r_l_b.model.pdb B A -> examples/1A2K_r_l_b.pdb A B +DockQ 0.511 DockQ_F1 0.567 Fnat 0.333 iRMS 1.237 LRMS 6.864 Fnonnat 0.000 clashes 0 mapping BC:AC examples/1A2K_r_l_b.model.pdb B C -> examples/1A2K_r_l_b.pdb A C +DockQ 0.453 DockQ_F1 0.500 Fnat 0.500 iRMS 2.104 LRMS 8.131 Fnonnat 0.107 clashes 0 mapping AC:BC examples/1A2K_r_l_b.model.pdb A C -> examples/1A2K_r_l_b.pdb B C ``` -Help page +## Model/Native chain mapping + +By default, DockQ will try to find the optimal mapping between interfaces found in the native and in the model. + +The simplest case is when a homodimer has been modelled. Then, the native interface "AB" (between native chains A and B) could be compared to +either the model AB interface, but also BA, as changing the order of the chains will generally change the results. If the user runs: + +`DockQ homodimer_model.pdb homodimer_native.pdb` + +the software will report the mapping (AB -> AB or AB -> BA) with highest DockQ score. + +If the user wishes to enforce a certain mapping, the flag `--mapping` can be used. This is useful, for example, when model/native contain a large number of homologous chains, +as it will speed up computations. + +**Complete mapping** + +The user defines the complete mapping between native and model chains with: `--mapping MODELCHAINS:NATIVECHAINS`. For example, in the previous case, two possible mappings can be: + +* `--mapping AB:AB` (native chain A corresponds to model chain A, native B to model B), +* `--mapping AB:BA` (native chain A corresponds to model chain B, native B to model A). + +The pair before the colon `:` defines the chain order in the model, the pair after defines the order in the native. + +**Partial mapping** + +If the user wishes to fix part of the mapping and let DockQ optimize the rest, wildcards can be used. For example, if a tetramer has chains `ABCD` in the model and `WXYZ` in the native, +the user might use: + +``` +--mapping A*:W* ``` -bash$ ./DockQ.py -h -usage: DockQ.py [-h] [-short] [-verbose] [-useCA] [-skip_check] [-no_needle] - [-perm1] [-perm2] - [-model_chain1 model_chain1 [model_chain1 ...]] - [-model_chain2 model_chain2 [model_chain2 ...]] - [-native_chain1 native_chain1 [native_chain1 ...]] - [-native_chain2 native_chain2 [native_chain2 ...]] - -DockQ - Quality measure for protein-protein docking models +where the wildcard `*` indicates that DockQ should optimize the mapping between BCD and XYZ while keeping A -> W fixed. Multiple chains can be fixed: -positional arguments: - path to model file - path to native file +``` +--mapping AD*:WY* +``` -optional arguments: - -h, --help show this help message and exit - -short short output - -verbose talk a lot! - -useCA use CA instead of backbone - -skip_check skip initial check fo speed up on two chain examples - -no_needle do not use global alignment to fix residue numbering - between native and model during chain permutation (use - only in case needle is not installed, and the residues - between the chains are identical - -perm1 use all chain1 permutations to find maximum DockQ - (number of comparisons is n! = 24, if combined with - -perm2 there will be n!*m! combinations - -perm2 use all chain2 permutations to find maximum DockQ - (number of comparisons is n! = 24, if combined with - -perm1 there will be n!*m! combinations - -model_chain1 model_chain1 [model_chain1 ...] - pdb chain order to group together partner 1 - -model_chain2 model_chain2 [model_chain2 ...] - pdb chain order to group together partner 2 - (complement to partner 1 if undef) - -native_chain1 native_chain1 [native_chain1 ...] - pdb chain order to group together from native partner - 1 - -native_chain2 native_chain2 [native_chain2 ...] - pdb chain order to group together from native partner - 2 (complement to partner 1 if undef) - - - -``` - - -##### Multi-chain functionality - -For targets with more than two interacting chains. For instance a -dimer interacting with a partner. There are options to control which -chains to group together and also in which order to combine -them. There are also options to try all possible chain combinations -(`-perm1` and `-perm2`), this is important if for instance a homo -oligomer is interacting asymmetrically with a third partner, or if -there are symmetries that make multiple solution possibly correct. - -For this mode to work if there are missing residues the global -alignment program `needle` from the [EMBOSS -package](http://emboss.sourceforge.net/download/) needs to be in your -path, i.e `which needle` should return the location. - -This mode is illustrated by a homodimer that is interacting with a -third partner asymmetrically (A,B) <-> C (1A2K from docking benchmark -5.0). - -The following commands will put the chains A,B as one partner and the -remaining chain, C, as the second partner. It will assume the chain -naming is the same in the model protein: - -`./DockQ.py examples/1A2K_r_l_b.model.pdb examples/1A2K_r_l_b.pdb -native_chain1 A B -model_chain1 A B -native_chain2 C -model_chain2 C` - -Assuming the chains are the same in the model and native it is enough to just specify one set chains to group and the second group will be formed from the complement using the the remaining chains. - -`./DockQ.py examples/1A2K_r_l_b.model.pdb examples/1A2K_r_l_b.pdb -native_chain1 A B` -(chain C is remaining) - -these are also equivalent: - -`./DockQ.py examples/1A2K_r_l_b.model.pdb examples/1A2K_r_l_b.pdb -native_chain1 C` -(chain AB is remaining) - -`./DockQ.py examples/1A2K_r_l_b.model.pdb examples/1A2K_r_l_b.pdb -native_chain1 A B -model_chain1 A B` - -This will reverse the relative chain order of AB, comparing modelBA with nativeAB interacting with chain C: - -`./DockQ.py examples/1A2K_r_l_b.model.pdb examples/1A2K_r_l_b.pdb -native_chain1 A B -model_chain1 B A` (observe how the score increases) - - -To try all permutations for model_chain1, observe at the reverse -mapping BA -> AB gets the best score: - -``` -bash$ ./DockQ.py examples/1A2K_r_l_b.model.pdb examples/1A2K_r_l_b.pdb -native_chain1 A B -perm1 -1/2 AB -> C 0.00972962403319 -Current best 0.00972962403319 -2/2 BA -> C 0.476267208558 -Current best 0.476267208558 -Best score ( 0.476267208558 ) found for model -> native, chain1:BA -> AB chain2:C -> C -*********************************************************** -* DockQ * -* Scoring function for protein-protein docking models * -* Statistics on CAPRI data: * -* 0.00 <= DockQ < 0.23 - Incorrect * -* 0.23 <= DockQ < 0.49 - Acceptable quality * -* 0.49 <= DockQ < 0.80 - Medium quality * -* DockQ >= 0.80 - High quality * -* Reference: Sankar Basu and Bjorn Wallner, DockQ:... * -* For comments, please email: bjornw@ifm.liu.se * -*********************************************************** -Model : examples/1A2K_r_l_b.model.pdb -Native : examples/1A2K_r_l_b.pdb -Best score ( 0.476267208558 ) found for model -> native, chain1:BA -> AB chain2:C -> C -Number of equivalent residues in chain A 248 (receptor) -Number of equivalent residues in chain B 196 (ligand) -Fnat 0.491 26 correct of 53 native contacts -Fnonnat 0.103 3 non-native of 29 model contacts -iRMS 1.988 -LRMS 7.300 -CAPRI Medium -DockQ_CAPRI Acceptable -DockQ 0.476 +**Limiting the search to subsets of native interfaces** +If the user is interested one or more specific interfaces in the native, while the rest should be ignored, the following can be used: +``` +--mapping :WX ``` +which is equivalent to: -To try all permutations for model_chain1 and model_chain2 (ok only 1 chain in this example:-): -`./DockQ.py examples/1A2K_r_l_b.model.pdb examples/1A2K_r_l_b.pdb -native_chain1 A B -perm1 -perm2` +``` +--mapping *:WX +``` -For a dimer interacting with one partner this is only 2 (2!\*1!), -however for larger oligomers the number of possible permutations -explodes. For two tetramers the number will be 576 (4!\*4!) +Then DockQ will find the interface in the model that best matches the WX interface in the native. Multiple native interfaces can be included: -Multimeric biological assemblies of proteins (of higher order than -that of dimers) are also found in nature to interact: e.g., PDB IDS: -3J07, 4IXZ, 4IY7, 4IYO, 3IYW, 2VQ0, 1E57, 2IZN etc. particularly -common in viral envelopes / capsids. We choose an instance of two -interacting tetramers (1EXB) to further demonstrate the multi-chain -functionality of DockQ +``` +--mapping :WXY +--mapping *:WXY +``` + +**Other uses** -Tetramer example (24 combinations): +Run DockQ with `-h/--help` to see a list of the available flags: -`./DockQ.py examples/1EXB_r_l_b.model.pdb examples/1EXB_r_l_b.pdb -native_chain1 A B C D -perm1` +``` +bash$ DockQ -h -Tetramer example with all possible permutations (576 combinations): +usage: DockQ [-h] [--capri_peptide] [--short] [--verbose] [--no_align] [--n_cpu n_cpu] [--optDockQF1] [--allowed_mismatches ALLOWED_MISMATCHES] [--mapping MODELCHAINS:NATIVECHAINS] + + +DockQ - Quality measure for protein-protein docking models -`./DockQ.py examples/1EXB_r_l_b.model.pdb examples/1EXB_r_l_b.pdb -native_chain1 A B C D -perm1 -perm2` +positional arguments: + Path to model file + Path to native file +optional arguments: + -h, --help show this help message and exit + --capri_peptide use version for capri_peptide (DockQ cannot not be trusted for this setting) + --short Short output + --verbose, -v Verbose output + --no_align Do not align native and model using sequence alignments, but use the numbering of residues instead + --n_cpu n_cpu Number of cores to use + --optDockQF1 Optimize on DockQ_F1 instead of DockQ + --allowed_mismatches ALLOWED_MISMATCHES + Number of allowed mismatches when mapping model sequence to native sequence. + --mapping MODELCHAINS:NATIVECHAINS + Specify a chain mapping between model and native structure. If the native contains two chains "H" and "L" while the model contains two chains "A" and "B", + and chain A is a model of native chain H and chain B is a model of native chain L, the flag can be set as: '--mapping AB:HL'. This can also help limit the + search to specific native interfaces. For example, if the native is a tetramer (ABCD) but the user is only interested in the interface between chains B and + C, the flag can be set as: '--mapping :BC' or the equivalent '--mapping *:BC'. +``` +**Import as a python module** + +Once DockQ is installed with pip, it can also be used as a module in your python code: + +```{python} +from DockQ.DockQ import load_PDB, run_on_all_native_interfaces + +model = load_PDB("examples/1A2K_r_l_b.model.pdb") +native = load_PDB("examples/1A2K_r_l_b.pdb") + +# model:native chain map dictionary for two interfaces +chain_map = {"A":"A", "B":"B"} +# returns a dictionary containing the results and the total DockQ score +run_on_all_native_interfaces(model, native, chain_map=chain_map) + +({('A', 'B'): {'DockQ_F1': 0.9437927182141027, + 'DockQ': 0.9425398964102757, + 'irms': 0.3753064373774967, + 'Lrms': 0.5535111803522507, + 'fnat': 0.8907563025210085, + 'nat_correct': 106, + 'nat_total': 119, + 'fnonnat': 0.1016949152542373, + 'nonnat_count': 12, + 'model_total': 118, + 'clashes': 0, + 'len1': 124, + 'len2': 124, + 'class1': 'ligand', + 'class2': 'receptor', + 'chain1': 'A', + 'chain2': 'B', + 'chain_map': {'A': 'A', 'B': 'B'}}}, + 0.9425398964102757) +``` diff --git a/clean.bash b/clean.bash deleted file mode 100755 index ae01c05..0000000 --- a/clean.bash +++ /dev/null @@ -1,5 +0,0 @@ -#!/bin/bash - -rm molecule.o -rm fnat.o -rm fnat diff --git a/examples/1EXB.cif.gz b/examples/1EXB.cif.gz new file mode 100644 index 0000000..e1c5e63 Binary files /dev/null and b/examples/1EXB.cif.gz differ diff --git a/examples/6qwn-assembly1.cif.gz b/examples/6qwn-assembly1.cif.gz new file mode 100644 index 0000000..ea1a8cd Binary files /dev/null and b/examples/6qwn-assembly1.cif.gz differ diff --git a/examples/6qwn-assembly2.cif.gz b/examples/6qwn-assembly2.cif.gz new file mode 100644 index 0000000..5e289de Binary files /dev/null and b/examples/6qwn-assembly2.cif.gz differ diff --git a/examples/model2.pdb b/examples/model2.pdb deleted file mode 100644 index 2e1fd6e..0000000 --- a/examples/model2.pdb +++ /dev/null @@ -1,4672 +0,0 @@ -ATOM 21360 N SER D 1 -48.427 24.992 17.147 1.00 1.00 N -ATOM 21361 CA SER D 1 -48.865 26.061 16.256 1.00 1.00 C -ATOM 21364 C SER D 1 -47.832 27.179 16.156 1.00 1.00 C -ATOM 21365 O SER D 1 -47.576 27.901 17.124 1.00 1.00 O -ATOM 21362 CB SER D 1 -50.224 26.616 16.693 1.00 1.00 C -ATOM 21363 OG SER D 1 -51.265 25.704 16.382 1.00 1.00 O -ATOM 21366 N VAL D 2 -47.244 27.310 14.970 1.00 1.00 N -ATOM 21367 CA VAL D 2 -46.204 28.304 14.723 1.00 1.00 C -ATOM 21371 C VAL D 2 -46.556 29.178 13.511 1.00 1.00 C -ATOM 21372 O VAL D 2 -47.248 28.729 12.592 1.00 1.00 O -ATOM 21368 CB VAL D 2 -44.825 27.627 14.527 1.00 1.00 C -ATOM 21369 CG1 VAL D 2 -44.605 27.266 13.075 1.00 1.00 C -ATOM 21370 CG2 VAL D 2 -43.715 28.524 15.012 1.00 1.00 C -ATOM 21373 N ILE D 3 -46.109 30.432 13.538 1.00 1.00 N -ATOM 21374 CA ILE D 3 -46.306 31.355 12.425 1.00 1.00 C -ATOM 21379 C ILE D 3 -45.275 31.067 11.325 1.00 1.00 C -ATOM 21380 O ILE D 3 -44.069 30.999 11.592 1.00 1.00 O -ATOM 21375 CB ILE D 3 -46.205 32.830 12.887 1.00 1.00 C -ATOM 21376 CG1 ILE D 3 -47.283 33.130 13.939 1.00 1.00 C -ATOM 21378 CG2 ILE D 3 -46.325 33.792 11.696 1.00 1.00 C -ATOM 21377 CD1 ILE D 3 -47.261 34.561 14.480 1.00 1.00 C -ATOM 21381 N HIS D 4 -45.764 30.862 10.103 1.00 1.00 N -ATOM 21382 CA HIS D 4 -44.914 30.628 8.933 1.00 1.00 C -ATOM 21389 C HIS D 4 -43.853 31.729 8.828 1.00 1.00 C -ATOM 21390 O HIS D 4 -44.186 32.921 8.867 1.00 1.00 O -ATOM 21383 CB HIS D 4 -45.781 30.619 7.671 1.00 1.00 C -ATOM 21384 CG HIS D 4 -45.203 29.824 6.539 1.00 1.00 C -ATOM 21388 CD2 HIS D 4 -45.585 28.642 5.996 1.00 1.00 C -ATOM 21385 ND1 HIS D 4 -44.107 30.245 5.816 1.00 1.00 N -ATOM 21386 CE1 HIS D 4 -43.828 29.348 4.885 1.00 1.00 C -ATOM 21387 NE2 HIS D 4 -44.713 28.370 4.969 1.00 1.00 N -ATOM 21391 N PRO D 5 -42.568 31.341 8.736 1.00 1.00 N -ATOM 21392 CA PRO D 5 -41.507 32.360 8.602 1.00 1.00 C -ATOM 21396 C PRO D 5 -41.698 33.252 7.364 1.00 1.00 C -ATOM 21397 O PRO D 5 -42.418 32.852 6.441 1.00 1.00 O -ATOM 21393 CB PRO D 5 -40.231 31.525 8.486 1.00 1.00 C -ATOM 21394 CG PRO D 5 -40.575 30.246 9.245 1.00 1.00 C -ATOM 21395 CD PRO D 5 -42.028 29.985 8.942 1.00 1.00 C -ATOM 21398 N LEU D 6 -41.099 34.445 7.362 1.00 1.00 N -ATOM 21399 CA LEU D 6 -41.253 35.371 6.240 1.00 1.00 C -ATOM 21404 C LEU D 6 -40.270 35.039 5.138 1.00 1.00 C -ATOM 21405 O LEU D 6 -39.088 34.881 5.389 1.00 1.00 O -ATOM 21400 CB LEU D 6 -41.044 36.812 6.699 1.00 1.00 C -ATOM 21401 CG LEU D 6 -41.975 37.268 7.822 1.00 1.00 C -ATOM 21402 CD1 LEU D 6 -41.764 38.741 8.130 1.00 1.00 C -ATOM 21403 CD2 LEU D 6 -43.408 37.001 7.414 1.00 1.00 C -ATOM 21406 N GLN D 7 -40.742 34.934 3.906 1.00 1.00 N -ATOM 21407 CA GLN D 7 -39.837 34.574 2.813 1.00 1.00 C -ATOM 21413 C GLN D 7 -39.046 35.766 2.251 1.00 1.00 C -ATOM 21414 O GLN D 7 -37.898 35.620 1.805 1.00 1.00 O -ATOM 21408 CB GLN D 7 -40.606 33.856 1.712 1.00 1.00 C -ATOM 21409 CG GLN D 7 -40.784 32.346 1.940 1.00 1.00 C -ATOM 21410 CD GLN D 7 -42.119 31.968 2.590 1.00 1.00 C -ATOM 21412 NE2 GLN D 7 -42.594 32.793 3.522 1.00 1.00 N -ATOM 21411 OE1 GLN D 7 -42.712 30.941 2.248 1.00 1.00 O -ATOM 21415 N ASN D 8 -39.650 36.948 2.289 1.00 1.00 N -ATOM 21416 CA ASN D 8 -39.002 38.149 1.765 1.00 1.00 C -ATOM 21421 C ASN D 8 -39.634 39.439 2.240 1.00 1.00 C -ATOM 21422 O ASN D 8 -40.812 39.466 2.603 1.00 1.00 O -ATOM 21417 CB ASN D 8 -39.036 38.144 0.244 1.00 1.00 C -ATOM 21418 CG ASN D 8 -37.674 37.934 -0.362 1.00 1.00 C -ATOM 21420 ND2 ASN D 8 -36.798 38.951 -0.262 1.00 1.00 N -ATOM 21419 OD1 ASN D 8 -37.400 36.866 -0.909 1.00 1.00 O -ATOM 21423 N LEU D 9 -38.844 40.509 2.204 1.00 1.00 N -ATOM 21424 CA LEU D 9 -39.335 41.845 2.480 1.00 1.00 C -ATOM 21429 C LEU D 9 -39.072 42.694 1.256 1.00 1.00 C -ATOM 21430 O LEU D 9 -38.163 42.411 0.499 1.00 1.00 O -ATOM 21425 CB LEU D 9 -38.585 42.434 3.663 1.00 1.00 C -ATOM 21426 CG LEU D 9 -38.642 41.591 4.930 1.00 1.00 C -ATOM 21427 CD1 LEU D 9 -37.411 41.846 5.772 1.00 1.00 C -ATOM 21428 CD2 LEU D 9 -39.921 41.910 5.688 1.00 1.00 C -ATOM 21431 N LEU D 10 -39.879 43.728 1.062 1.00 1.00 N -ATOM 21432 CA LEU D 10 -39.645 44.700 0.012 1.00 1.00 C -ATOM 21437 C LEU D 10 -40.076 46.036 0.584 1.00 1.00 C -ATOM 21438 O LEU D 10 -41.220 46.221 0.971 1.00 1.00 O -ATOM 21433 CB LEU D 10 -40.426 44.346 -1.265 1.00 1.00 C -ATOM 21434 CG LEU D 10 -40.007 44.959 -2.619 1.00 1.00 C -ATOM 21435 CD1 LEU D 10 -41.068 45.858 -3.261 1.00 1.00 C -ATOM 21436 CD2 LEU D 10 -38.681 45.701 -2.518 1.00 1.00 C -ATOM 21439 N THR D 11 -39.137 46.960 0.665 1.00 1.00 N -ATOM 21440 CA THR D 11 -39.405 48.269 1.228 1.00 1.00 C -ATOM 21444 C THR D 11 -39.514 49.308 0.116 1.00 1.00 C -ATOM 21445 O THR D 11 -38.655 49.371 -0.771 1.00 1.00 O -ATOM 21441 CB THR D 11 -38.275 48.687 2.196 1.00 1.00 C -ATOM 21443 CG2 THR D 11 -38.660 49.947 2.962 1.00 1.00 C -ATOM 21442 OG1 THR D 11 -38.008 47.614 3.115 1.00 1.00 O -ATOM 21446 N SER D 12 -40.576 50.109 0.158 1.00 1.00 N -ATOM 21447 CA SER D 12 -40.759 51.204 -0.788 1.00 1.00 C -ATOM 21450 C SER D 12 -39.629 52.203 -0.619 1.00 1.00 C -ATOM 21451 O SER D 12 -38.920 52.176 0.384 1.00 1.00 O -ATOM 21448 CB SER D 12 -42.104 51.906 -0.565 1.00 1.00 C -ATOM 21449 OG SER D 12 -41.997 52.910 0.428 1.00 1.00 O -ATOM 21452 N ARG D 13 -39.467 53.088 -1.597 1.00 1.00 N -ATOM 21453 CA ARG D 13 -38.326 53.990 -1.606 1.00 1.00 C -ATOM 21461 C ARG D 13 -38.274 54.977 -0.430 1.00 1.00 C -ATOM 21462 O ARG D 13 -37.185 55.338 0.020 1.00 1.00 O -ATOM 21454 CB ARG D 13 -38.201 54.709 -2.958 1.00 1.00 C -ATOM 21455 CG ARG D 13 -39.440 55.451 -3.410 1.00 1.00 C -ATOM 21456 CD ARG D 13 -39.177 56.233 -4.699 1.00 1.00 C -ATOM 21457 NE ARG D 13 -39.355 55.413 -5.897 1.00 1.00 N -ATOM 21458 CZ ARG D 13 -38.361 54.908 -6.625 1.00 1.00 C -ATOM 21459 NH1 ARG D 13 -37.094 55.135 -6.286 1.00 1.00 N -ATOM 21460 NH2 ARG D 13 -38.634 54.176 -7.699 1.00 1.00 N -ATOM 21463 N ASP D 14 -39.424 55.423 0.071 1.00 1.00 N -ATOM 21464 CA ASP D 14 -39.395 56.341 1.217 1.00 1.00 C -ATOM 21469 C ASP D 14 -39.247 55.608 2.546 1.00 1.00 C -ATOM 21470 O ASP D 14 -38.889 56.209 3.552 1.00 1.00 O -ATOM 21465 CB ASP D 14 -40.588 57.307 1.244 1.00 1.00 C -ATOM 21466 CG ASP D 14 -41.922 56.610 1.473 1.00 1.00 C -ATOM 21467 OD1 ASP D 14 -41.943 55.417 1.846 1.00 1.00 O -ATOM 21468 OD2 ASP D 14 -42.964 57.274 1.272 1.00 1.00 O -ATOM 21471 N GLY D 15 -39.519 54.306 2.535 1.00 1.00 N -ATOM 21472 CA GLY D 15 -39.306 53.466 3.699 1.00 1.00 C -ATOM 21473 C GLY D 15 -40.556 53.209 4.513 1.00 1.00 C -ATOM 21474 O GLY D 15 -40.504 52.500 5.511 1.00 1.00 O -ATOM 21475 N SER D 16 -41.680 53.778 4.084 1.00 1.00 N -ATOM 21476 CA SER D 16 -42.916 53.736 4.863 1.00 1.00 C -ATOM 21479 C SER D 16 -43.851 52.636 4.410 1.00 1.00 C -ATOM 21480 O SER D 16 -44.915 52.437 4.999 1.00 1.00 O -ATOM 21477 CB SER D 16 -43.657 55.057 4.744 1.00 1.00 C -ATOM 21478 OG SER D 16 -44.049 55.256 3.401 1.00 1.00 O -ATOM 21481 N LEU D 17 -43.474 51.933 3.351 1.00 1.00 N -ATOM 21482 CA LEU D 17 -44.243 50.775 2.934 1.00 1.00 C -ATOM 21487 C LEU D 17 -43.325 49.571 2.934 1.00 1.00 C -ATOM 21488 O LEU D 17 -42.251 49.608 2.332 1.00 1.00 O -ATOM 21483 CB LEU D 17 -44.842 50.984 1.546 1.00 1.00 C -ATOM 21484 CG LEU D 17 -46.330 51.312 1.438 1.00 1.00 C -ATOM 21485 CD1 LEU D 17 -46.681 51.652 -0.002 1.00 1.00 C -ATOM 21486 CD2 LEU D 17 -47.187 50.158 1.940 1.00 1.00 C -ATOM 21489 N VAL D 18 -43.738 48.512 3.625 1.00 1.00 N -ATOM 21490 CA VAL D 18 -42.984 47.268 3.630 1.00 1.00 C -ATOM 21494 C VAL D 18 -43.921 46.131 3.258 1.00 1.00 C -ATOM 21495 O VAL D 18 -45.048 46.062 3.746 1.00 1.00 O -ATOM 21491 CB VAL D 18 -42.329 46.980 5.000 1.00 1.00 C -ATOM 21492 CG1 VAL D 18 -41.771 45.576 5.022 1.00 1.00 C -ATOM 21493 CG2 VAL D 18 -41.226 47.990 5.293 1.00 1.00 C -ATOM 21496 N PHE D 19 -43.456 45.263 2.363 1.00 1.00 N -ATOM 21497 CA PHE D 19 -44.223 44.104 1.944 1.00 1.00 C -ATOM 21505 C PHE D 19 -43.499 42.830 2.365 1.00 1.00 C -ATOM 21506 O PHE D 19 -42.265 42.774 2.412 1.00 1.00 O -ATOM 21498 CB PHE D 19 -44.408 44.103 0.432 1.00 1.00 C -ATOM 21499 CG PHE D 19 -45.181 45.272 -0.093 1.00 1.00 C -ATOM 21500 CD1 PHE D 19 -44.525 46.354 -0.655 1.00 1.00 C -ATOM 21504 CD2 PHE D 19 -46.568 45.273 -0.054 1.00 1.00 C -ATOM 21501 CE1 PHE D 19 -45.235 47.428 -1.152 1.00 1.00 C -ATOM 21503 CE2 PHE D 19 -47.286 46.346 -0.558 1.00 1.00 C -ATOM 21502 CZ PHE D 19 -46.617 47.431 -1.101 1.00 1.00 C -ATOM 21507 N ALA D 20 -44.274 41.797 2.658 1.00 1.00 N -ATOM 21508 CA ALA D 20 -43.715 40.559 3.170 1.00 1.00 C -ATOM 21510 C ALA D 20 -44.364 39.363 2.521 1.00 1.00 C -ATOM 21511 O ALA D 20 -45.576 39.318 2.319 1.00 1.00 O -ATOM 21509 CB ALA D 20 -43.871 40.470 4.680 1.00 1.00 C -ATOM 21512 N ILE D 21 -43.543 38.385 2.184 1.00 1.00 N -ATOM 21513 CA ILE D 21 -44.076 37.149 1.680 1.00 1.00 C -ATOM 21518 C ILE D 21 -44.094 36.156 2.828 1.00 1.00 C -ATOM 21519 O ILE D 21 -43.082 35.958 3.506 1.00 1.00 O -ATOM 21514 CB ILE D 21 -43.225 36.593 0.510 1.00 1.00 C -ATOM 21515 CG1 ILE D 21 -43.378 37.464 -0.746 1.00 1.00 C -ATOM 21517 CG2 ILE D 21 -43.592 35.145 0.226 1.00 1.00 C -ATOM 21516 CD1 ILE D 21 -42.386 37.099 -1.898 1.00 1.00 C -ATOM 21520 N ILE D 22 -45.256 35.561 3.068 1.00 1.00 N -ATOM 21521 CA ILE D 22 -45.358 34.404 3.953 1.00 1.00 C -ATOM 21526 C ILE D 22 -46.164 33.365 3.211 1.00 1.00 C -ATOM 21527 O ILE D 22 -47.323 33.616 2.868 1.00 1.00 O -ATOM 21522 CB ILE D 22 -46.136 34.707 5.251 1.00 1.00 C -ATOM 21523 CG1 ILE D 22 -46.373 36.207 5.402 1.00 1.00 C -ATOM 21525 CG2 ILE D 22 -45.471 34.062 6.453 1.00 1.00 C -ATOM 21524 CD1 ILE D 22 -47.633 36.641 4.690 1.00 1.00 C -ATOM 21528 N LYS D 23 -45.563 32.205 2.958 1.00 1.00 N -ATOM 21529 CA LYS D 23 -46.289 31.130 2.295 1.00 1.00 C -ATOM 21535 C LYS D 23 -46.869 31.697 0.996 1.00 1.00 C -ATOM 21536 O LYS D 23 -46.170 32.317 0.202 1.00 1.00 O -ATOM 21530 CB LYS D 23 -47.415 30.629 3.216 1.00 1.00 C -ATOM 21531 CG LYS D 23 -47.748 29.129 3.144 1.00 1.00 C -ATOM 21532 CD LYS D 23 -49.091 28.875 3.856 1.00 1.00 C -ATOM 21533 CE LYS D 23 -49.457 27.387 3.999 1.00 1.00 C -ATOM 21534 NZ LYS D 23 -49.104 26.826 5.349 1.00 1.00 N -ATOM 21537 N ASN D 24 -48.166 31.529 0.808 1.00 1.00 N -ATOM 21538 CA ASN D 24 -48.817 32.006 -0.397 1.00 1.00 C -ATOM 21543 C ASN D 24 -49.475 33.358 -0.240 1.00 1.00 C -ATOM 21544 O ASN D 24 -50.444 33.649 -0.935 1.00 1.00 O -ATOM 21539 CB ASN D 24 -49.853 30.984 -0.865 1.00 1.00 C -ATOM 21540 CG ASN D 24 -50.961 30.769 0.145 1.00 1.00 C -ATOM 21542 ND2 ASN D 24 -52.196 30.801 -0.336 1.00 1.00 N -ATOM 21541 OD1 ASN D 24 -50.714 30.569 1.342 1.00 1.00 O -ATOM 21545 N CYS D 25 -48.943 34.185 0.660 1.00 1.00 N -ATOM 21546 CA CYS D 25 -49.566 35.471 0.985 1.00 1.00 C -ATOM 21549 C CYS D 25 -48.587 36.624 0.965 1.00 1.00 C -ATOM 21550 O CYS D 25 -47.397 36.447 1.202 1.00 1.00 O -ATOM 21547 CB CYS D 25 -50.204 35.434 2.379 1.00 1.00 C -ATOM 21548 SG CYS D 25 -51.590 34.308 2.545 1.00 1.00 S -ATOM 21551 N ILE D 26 -49.118 37.815 0.718 1.00 1.00 N -ATOM 21552 CA ILE D 26 -48.365 39.055 0.846 1.00 1.00 C -ATOM 21557 C ILE D 26 -49.020 39.932 1.934 1.00 1.00 C -ATOM 21558 O ILE D 26 -50.244 40.157 1.930 1.00 1.00 O -ATOM 21553 CB ILE D 26 -48.334 39.820 -0.490 1.00 1.00 C -ATOM 21554 CG1 ILE D 26 -47.726 38.947 -1.590 1.00 1.00 C -ATOM 21556 CG2 ILE D 26 -47.552 41.092 -0.353 1.00 1.00 C -ATOM 21555 CD1 ILE D 26 -47.787 39.566 -2.977 1.00 1.00 C -ATOM 21559 N LEU D 27 -48.209 40.408 2.875 1.00 1.00 N -ATOM 21560 CA LEU D 27 -48.687 41.313 3.908 1.00 1.00 C -ATOM 21565 C LEU D 27 -48.074 42.668 3.674 1.00 1.00 C -ATOM 21566 O LEU D 27 -46.884 42.764 3.397 1.00 1.00 O -ATOM 21561 CB LEU D 27 -48.243 40.835 5.285 1.00 1.00 C -ATOM 21562 CG LEU D 27 -48.604 39.403 5.658 1.00 1.00 C -ATOM 21563 CD1 LEU D 27 -47.997 39.027 7.007 1.00 1.00 C -ATOM 21564 CD2 LEU D 27 -50.118 39.213 5.657 1.00 1.00 C -ATOM 21567 N SER D 28 -48.871 43.719 3.795 1.00 1.00 N -ATOM 21568 CA SER D 28 -48.329 45.072 3.729 1.00 1.00 C -ATOM 21571 C SER D 28 -48.403 45.727 5.106 1.00 1.00 C -ATOM 21572 O SER D 28 -49.350 45.509 5.853 1.00 1.00 O -ATOM 21569 CB SER D 28 -49.079 45.910 2.695 1.00 1.00 C -ATOM 21570 OG SER D 28 -49.175 45.212 1.466 1.00 1.00 O -ATOM 21573 N PHE D 29 -47.380 46.506 5.432 1.00 1.00 N -ATOM 21574 CA PHE D 29 -47.306 47.233 6.682 1.00 1.00 C -ATOM 21582 C PHE D 29 -46.887 48.641 6.334 1.00 1.00 C -ATOM 21583 O PHE D 29 -46.098 48.839 5.399 1.00 1.00 O -ATOM 21575 CB PHE D 29 -46.262 46.602 7.601 1.00 1.00 C -ATOM 21576 CG PHE D 29 -46.608 45.210 8.048 1.00 1.00 C -ATOM 21577 CD1 PHE D 29 -46.365 44.124 7.229 1.00 1.00 C -ATOM 21581 CD2 PHE D 29 -47.179 44.988 9.290 1.00 1.00 C -ATOM 21578 CE1 PHE D 29 -46.685 42.839 7.634 1.00 1.00 C -ATOM 21580 CE2 PHE D 29 -47.501 43.707 9.703 1.00 1.00 C -ATOM 21579 CZ PHE D 29 -47.251 42.632 8.878 1.00 1.00 C -ATOM 21584 N LYS D 30 -47.416 49.618 7.068 1.00 1.00 N -ATOM 21585 CA LYS D 30 -46.983 50.998 6.908 1.00 1.00 C -ATOM 21591 C LYS D 30 -46.041 51.310 8.054 1.00 1.00 C -ATOM 21592 O LYS D 30 -46.178 50.735 9.123 1.00 1.00 O -ATOM 21586 CB LYS D 30 -48.183 51.933 6.897 1.00 1.00 C -ATOM 21587 CG LYS D 30 -49.380 51.344 6.161 1.00 1.00 C -ATOM 21588 CD LYS D 30 -50.396 52.412 5.802 1.00 1.00 C -ATOM 21589 CE LYS D 30 -51.648 51.790 5.206 1.00 1.00 C -ATOM 21590 NZ LYS D 30 -52.414 52.795 4.417 1.00 1.00 N -ATOM 21593 N TYR D 31 -45.068 52.187 7.827 1.00 1.00 N -ATOM 21594 CA TYR D 31 -44.058 52.471 8.837 1.00 1.00 C -ATOM 21603 C TYR D 31 -43.899 53.977 8.994 1.00 1.00 C -ATOM 21604 O TYR D 31 -43.949 54.714 8.010 1.00 1.00 O -ATOM 21595 CB TYR D 31 -42.722 51.805 8.469 1.00 1.00 C -ATOM 21596 CG TYR D 31 -41.604 52.057 9.460 1.00 1.00 C -ATOM 21597 CD1 TYR D 31 -41.554 51.373 10.670 1.00 1.00 C -ATOM 21602 CD2 TYR D 31 -40.605 52.982 9.188 1.00 1.00 C -ATOM 21598 CE1 TYR D 31 -40.533 51.608 11.584 1.00 1.00 C -ATOM 21601 CE2 TYR D 31 -39.583 53.222 10.086 1.00 1.00 C -ATOM 21599 CZ TYR D 31 -39.550 52.534 11.284 1.00 1.00 C -ATOM 21600 OH TYR D 31 -38.530 52.778 12.180 1.00 1.00 O -ATOM 21605 N GLN D 32 -43.722 54.430 10.234 1.00 1.00 N -ATOM 21606 CA GLN D 32 -43.608 55.857 10.542 1.00 1.00 C -ATOM 21612 C GLN D 32 -42.600 56.105 11.651 1.00 1.00 C -ATOM 21613 O GLN D 32 -42.129 55.165 12.275 1.00 1.00 O -ATOM 21607 CB GLN D 32 -44.961 56.424 10.986 1.00 1.00 C -ATOM 21608 CG GLN D 32 -45.752 57.167 9.912 1.00 1.00 C -ATOM 21609 CD GLN D 32 -46.813 58.078 10.511 1.00 1.00 C -ATOM 21611 NE2 GLN D 32 -46.391 58.971 11.408 1.00 1.00 N -ATOM 21610 OE1 GLN D 32 -47.999 57.970 10.187 1.00 1.00 O -ATOM 21614 N SER D 33 -42.275 57.377 11.881 1.00 1.00 N -ATOM 21615 CA SER D 33 -41.578 57.812 13.094 1.00 1.00 C -ATOM 21618 C SER D 33 -40.470 56.839 13.509 1.00 1.00 C -ATOM 21619 O SER D 33 -39.807 56.256 12.648 1.00 1.00 O -ATOM 21616 CB SER D 33 -42.599 57.985 14.227 1.00 1.00 C -ATOM 21617 OG SER D 33 -43.622 58.903 13.871 1.00 1.00 O -ATOM 21620 N PRO D 34 -40.233 56.694 14.826 1.00 1.00 N -ATOM 21621 CA PRO D 34 -39.539 55.497 15.306 1.00 1.00 C -ATOM 21625 C PRO D 34 -40.238 54.198 14.908 1.00 1.00 C -ATOM 21626 O PRO D 34 -40.307 53.896 13.724 1.00 1.00 O -ATOM 21622 CB PRO D 34 -39.555 55.680 16.816 1.00 1.00 C -ATOM 21623 CG PRO D 34 -39.406 57.157 16.971 1.00 1.00 C -ATOM 21624 CD PRO D 34 -40.132 57.792 15.806 1.00 1.00 C -ATOM 21627 N ASN D 35 -40.765 53.442 15.860 1.00 1.00 N -ATOM 21628 CA ASN D 35 -41.020 52.032 15.581 1.00 1.00 C -ATOM 21633 C ASN D 35 -42.467 51.531 15.519 1.00 1.00 C -ATOM 21634 O ASN D 35 -42.807 50.534 16.149 1.00 1.00 O -ATOM 21629 CB ASN D 35 -40.165 51.183 16.522 1.00 1.00 C -ATOM 21630 CG ASN D 35 -38.733 51.710 16.626 1.00 1.00 C -ATOM 21632 ND2 ASN D 35 -38.263 51.914 17.846 1.00 1.00 N -ATOM 21631 OD1 ASN D 35 -38.070 51.943 15.615 1.00 1.00 O -ATOM 21635 N HIS D 36 -43.298 52.221 14.742 1.00 1.00 N -ATOM 21636 CA HIS D 36 -44.632 51.748 14.347 1.00 1.00 C -ATOM 21643 C HIS D 36 -44.678 52.005 12.858 1.00 1.00 C -ATOM 21644 O HIS D 36 -44.063 52.976 12.421 1.00 1.00 O -ATOM 21637 CB HIS D 36 -45.723 52.609 14.999 1.00 1.00 C -ATOM 21638 CG HIS D 36 -46.164 52.132 16.351 1.00 1.00 C -ATOM 21642 CD2 HIS D 36 -47.278 51.467 16.741 1.00 1.00 C -ATOM 21639 ND1 HIS D 36 -45.428 52.349 17.497 1.00 1.00 N -ATOM 21640 CE1 HIS D 36 -46.061 51.823 18.531 1.00 1.00 C -ATOM 21641 NE2 HIS D 36 -47.187 51.284 18.100 1.00 1.00 N -ATOM 21645 N TRP D 37 -45.342 51.195 12.028 1.00 1.00 N -ATOM 21646 CA TRP D 37 -45.869 49.826 12.220 1.00 1.00 C -ATOM 21657 C TRP D 37 -47.353 49.573 12.446 1.00 1.00 C -ATOM 21658 O TRP D 37 -47.803 49.225 13.533 1.00 1.00 O -ATOM 21647 CB TRP D 37 -44.905 48.809 12.855 1.00 1.00 C -ATOM 21648 CG TRP D 37 -43.967 48.354 11.775 1.00 1.00 C -ATOM 21649 CD1 TRP D 37 -44.310 48.004 10.488 1.00 1.00 C -ATOM 21652 CD2 TRP D 37 -42.549 48.276 11.841 1.00 1.00 C -ATOM 21651 CE2 TRP D 37 -42.091 47.854 10.563 1.00 1.00 C -ATOM 21653 CE3 TRP D 37 -41.618 48.509 12.851 1.00 1.00 C -ATOM 21650 NE1 TRP D 37 -43.186 47.697 9.758 1.00 1.00 N -ATOM 21656 CZ2 TRP D 37 -40.745 47.661 10.278 1.00 1.00 C -ATOM 21654 CZ3 TRP D 37 -40.289 48.326 12.568 1.00 1.00 C -ATOM 21655 CH2 TRP D 37 -39.859 47.899 11.290 1.00 1.00 C -ATOM 21659 N GLU D 38 -48.074 49.728 11.337 1.00 1.00 N -ATOM 21660 CA GLU D 38 -49.508 49.504 11.217 1.00 1.00 C -ATOM 21666 C GLU D 38 -49.780 48.511 10.078 1.00 1.00 C -ATOM 21667 O GLU D 38 -49.348 48.720 8.944 1.00 1.00 O -ATOM 21661 CB GLU D 38 -50.207 50.831 10.907 1.00 1.00 C -ATOM 21662 CG GLU D 38 -51.609 50.687 10.323 1.00 1.00 C -ATOM 21663 CD GLU D 38 -52.123 51.978 9.692 1.00 1.00 C -ATOM 21664 OE1 GLU D 38 -51.402 53.003 9.745 1.00 1.00 O -ATOM 21665 OE2 GLU D 38 -53.246 51.962 9.134 1.00 1.00 O -ATOM 21668 N PHE D 39 -50.490 47.432 10.382 1.00 1.00 N -ATOM 21669 CA PHE D 39 -50.857 46.433 9.384 1.00 1.00 C -ATOM 21677 C PHE D 39 -51.674 47.079 8.279 1.00 1.00 C -ATOM 21678 O PHE D 39 -52.499 47.957 8.549 1.00 1.00 O -ATOM 21670 CB PHE D 39 -51.669 45.314 10.035 1.00 1.00 C -ATOM 21671 CG PHE D 39 -52.126 44.265 9.075 1.00 1.00 C -ATOM 21672 CD1 PHE D 39 -51.209 43.450 8.431 1.00 1.00 C -ATOM 21676 CD2 PHE D 39 -53.474 44.085 8.819 1.00 1.00 C -ATOM 21673 CE1 PHE D 39 -51.629 42.472 7.550 1.00 1.00 C -ATOM 21675 CE2 PHE D 39 -53.903 43.105 7.936 1.00 1.00 C -ATOM 21674 CZ PHE D 39 -52.979 42.298 7.304 1.00 1.00 C -ATOM 21679 N ALA D 40 -51.450 46.652 7.037 1.00 1.00 N -ATOM 21680 CA ALA D 40 -52.111 47.291 5.898 1.00 1.00 C -ATOM 21682 C ALA D 40 -52.569 46.326 4.808 1.00 1.00 C -ATOM 21683 O ALA D 40 -52.579 46.658 3.628 1.00 1.00 O -ATOM 21681 CB ALA D 40 -51.242 48.408 5.316 1.00 1.00 C -ATOM 21684 N GLY D 41 -52.967 45.130 5.204 1.00 1.00 N -ATOM 21685 CA GLY D 41 -53.630 44.252 4.267 1.00 1.00 C -ATOM 21686 C GLY D 41 -52.991 42.896 4.117 1.00 1.00 C -ATOM 21687 O GLY D 41 -51.776 42.749 4.246 1.00 1.00 O -ATOM 21688 N LYS D 42 -53.821 41.895 3.854 1.00 1.00 N -ATOM 21689 CA LYS D 42 -53.319 40.573 3.533 1.00 1.00 C -ATOM 21695 C LYS D 42 -53.957 40.046 2.251 1.00 1.00 C -ATOM 21696 O LYS D 42 -55.175 39.865 2.180 1.00 1.00 O -ATOM 21690 CB LYS D 42 -53.547 39.602 4.682 1.00 1.00 C -ATOM 21691 CG LYS D 42 -53.271 38.154 4.305 1.00 1.00 C -ATOM 21692 CD LYS D 42 -52.939 37.295 5.524 1.00 1.00 C -ATOM 21693 CE LYS D 42 -54.079 37.248 6.529 1.00 1.00 C -ATOM 21694 NZ LYS D 42 -55.150 36.312 6.104 1.00 1.00 N -ATOM 21697 N TRP D 43 -53.124 39.823 1.235 1.00 1.00 N -ATOM 21698 CA TRP D 43 -53.569 39.139 0.029 1.00 1.00 C -ATOM 21709 C TRP D 43 -53.070 37.702 0.032 1.00 1.00 C -ATOM 21710 O TRP D 43 -51.927 37.419 0.392 1.00 1.00 O -ATOM 21699 CB TRP D 43 -53.097 39.862 -1.228 1.00 1.00 C -ATOM 21700 CG TRP D 43 -53.452 39.144 -2.494 1.00 1.00 C -ATOM 21701 CD1 TRP D 43 -54.546 39.363 -3.278 1.00 1.00 C -ATOM 21704 CD2 TRP D 43 -52.703 38.097 -3.131 1.00 1.00 C -ATOM 21703 CE2 TRP D 43 -53.406 37.731 -4.298 1.00 1.00 C -ATOM 21705 CE3 TRP D 43 -51.506 37.439 -2.832 1.00 1.00 C -ATOM 21702 NE1 TRP D 43 -54.529 38.515 -4.364 1.00 1.00 N -ATOM 21708 CZ2 TRP D 43 -52.951 36.735 -5.163 1.00 1.00 C -ATOM 21706 CZ3 TRP D 43 -51.058 36.448 -3.692 1.00 1.00 C -ATOM 21707 CH2 TRP D 43 -51.780 36.107 -4.841 1.00 1.00 C -ATOM 21711 N SER D 44 -53.938 36.787 -0.357 1.00 1.00 N -ATOM 21712 CA SER D 44 -53.566 35.383 -0.382 1.00 1.00 C -ATOM 21715 C SER D 44 -53.782 34.816 -1.772 1.00 1.00 C -ATOM 21716 O SER D 44 -54.737 35.175 -2.462 1.00 1.00 O -ATOM 21713 CB SER D 44 -54.368 34.586 0.644 1.00 1.00 C -ATOM 21714 OG SER D 44 -55.749 34.604 0.332 1.00 1.00 O -ATOM 21717 N ASP D 45 -52.876 33.943 -2.189 1.00 1.00 N -ATOM 21718 CA ASP D 45 -52.980 33.330 -3.500 1.00 1.00 C -ATOM 21723 C ASP D 45 -54.132 32.341 -3.479 1.00 1.00 C -ATOM 21724 O ASP D 45 -54.110 31.366 -2.716 1.00 1.00 O -ATOM 21719 CB ASP D 45 -51.688 32.611 -3.857 1.00 1.00 C -ATOM 21720 CG ASP D 45 -51.604 32.285 -5.324 1.00 1.00 C -ATOM 21721 OD1 ASP D 45 -51.815 33.208 -6.141 1.00 1.00 O -ATOM 21722 OD2 ASP D 45 -51.322 31.114 -5.658 1.00 1.00 O -ATOM 21725 N ASP D 46 -55.137 32.593 -4.314 1.00 1.00 N -ATOM 21726 CA ASP D 46 -56.365 31.807 -4.267 1.00 1.00 C -ATOM 21731 C ASP D 46 -56.596 30.887 -5.469 1.00 1.00 C -ATOM 21732 O ASP D 46 -57.731 30.712 -5.904 1.00 1.00 O -ATOM 21727 CB ASP D 46 -57.577 32.716 -4.049 1.00 1.00 C -ATOM 21728 CG ASP D 46 -57.919 32.896 -2.572 1.00 1.00 C -ATOM 21729 OD1 ASP D 46 -59.073 33.266 -2.268 1.00 1.00 O -ATOM 21730 OD2 ASP D 46 -57.042 32.657 -1.713 1.00 1.00 O -ATOM 21733 N PHE D 47 -55.529 30.292 -5.997 1.00 1.00 N -ATOM 21734 CA PHE D 47 -55.687 29.224 -6.982 1.00 1.00 C -ATOM 21742 C PHE D 47 -56.025 27.948 -6.212 1.00 1.00 C -ATOM 21743 O PHE D 47 -57.174 27.765 -5.803 1.00 1.00 O -ATOM 21735 CB PHE D 47 -54.446 29.064 -7.869 1.00 1.00 C -ATOM 21736 CG PHE D 47 -54.763 28.983 -9.339 1.00 1.00 C -ATOM 21737 CD1 PHE D 47 -55.446 30.019 -9.965 1.00 1.00 C -ATOM 21741 CD2 PHE D 47 -54.386 27.879 -10.095 1.00 1.00 C -ATOM 21738 CE1 PHE D 47 -55.750 29.956 -11.322 1.00 1.00 C -ATOM 21740 CE2 PHE D 47 -54.685 27.812 -11.450 1.00 1.00 C -ATOM 21739 CZ PHE D 47 -55.370 28.848 -12.062 1.00 1.00 C -ATOM 21744 N PRO D 99 -44.588 17.427 -3.737 1.00 1.00 N -ATOM 21745 CA PRO D 99 -45.916 17.809 -3.267 1.00 1.00 C -ATOM 21749 C PRO D 99 -46.026 19.267 -3.722 1.00 1.00 C -ATOM 21750 O PRO D 99 -44.975 19.895 -3.884 1.00 1.00 O -ATOM 21746 CB PRO D 99 -45.769 17.704 -1.755 1.00 1.00 C -ATOM 21747 CG PRO D 99 -44.838 16.517 -1.580 1.00 1.00 C -ATOM 21748 CD PRO D 99 -44.097 16.315 -2.904 1.00 1.00 C -ATOM 21751 N ILE D 100 -47.222 19.795 -3.970 1.00 1.00 N -ATOM 21752 CA ILE D 100 -47.318 21.115 -4.611 1.00 1.00 C -ATOM 21757 C ILE D 100 -47.395 22.301 -3.641 1.00 1.00 C -ATOM 21758 O ILE D 100 -48.301 22.387 -2.812 1.00 1.00 O -ATOM 21753 CB ILE D 100 -48.456 21.176 -5.665 1.00 1.00 C -ATOM 21754 CG1 ILE D 100 -48.020 20.464 -6.950 1.00 1.00 C -ATOM 21756 CG2 ILE D 100 -48.831 22.617 -5.975 1.00 1.00 C -ATOM 21755 CD1 ILE D 100 -48.974 20.644 -8.121 1.00 1.00 C -ATOM 21759 N TYR D 101 -46.426 23.208 -3.761 1.00 1.00 N -ATOM 21760 CA TYR D 101 -46.349 24.404 -2.924 1.00 1.00 C -ATOM 21769 C TYR D 101 -46.664 25.650 -3.732 1.00 1.00 C -ATOM 21770 O TYR D 101 -46.112 25.857 -4.807 1.00 1.00 O -ATOM 21761 CB TYR D 101 -44.950 24.556 -2.329 1.00 1.00 C -ATOM 21762 CG TYR D 101 -44.497 23.358 -1.547 1.00 1.00 C -ATOM 21763 CD1 TYR D 101 -43.506 22.523 -2.038 1.00 1.00 C -ATOM 21768 CD2 TYR D 101 -45.071 23.048 -0.324 1.00 1.00 C -ATOM 21764 CE1 TYR D 101 -43.093 21.415 -1.325 1.00 1.00 C -ATOM 21767 CE2 TYR D 101 -44.663 21.945 0.394 1.00 1.00 C -ATOM 21765 CZ TYR D 101 -43.674 21.131 -0.110 1.00 1.00 C -ATOM 21766 OH TYR D 101 -43.266 20.029 0.602 1.00 1.00 O -ATOM 21771 N SER D 102 -47.539 26.495 -3.203 1.00 1.00 N -ATOM 21772 CA SER D 102 -47.920 27.716 -3.907 1.00 1.00 C -ATOM 21775 C SER D 102 -47.027 28.899 -3.540 1.00 1.00 C -ATOM 21776 O SER D 102 -47.484 29.880 -2.960 1.00 1.00 O -ATOM 21773 CB SER D 102 -49.391 28.056 -3.648 1.00 1.00 C -ATOM 21774 OG SER D 102 -49.792 29.158 -4.445 1.00 1.00 O -ATOM 21777 N TYR D 103 -45.750 28.807 -3.890 1.00 1.00 N -ATOM 21778 CA TYR D 103 -44.810 29.878 -3.586 1.00 1.00 C -ATOM 21787 C TYR D 103 -45.233 31.212 -4.203 1.00 1.00 C -ATOM 21788 O TYR D 103 -45.873 31.254 -5.254 1.00 1.00 O -ATOM 21779 CB TYR D 103 -43.413 29.519 -4.073 1.00 1.00 C -ATOM 21780 CG TYR D 103 -42.695 28.442 -3.285 1.00 1.00 C -ATOM 21781 CD1 TYR D 103 -42.635 27.141 -3.754 1.00 1.00 C -ATOM 21786 CD2 TYR D 103 -42.045 28.737 -2.094 1.00 1.00 C -ATOM 21782 CE1 TYR D 103 -41.958 26.157 -3.059 1.00 1.00 C -ATOM 21785 CE2 TYR D 103 -41.368 27.759 -1.387 1.00 1.00 C -ATOM 21783 CZ TYR D 103 -41.327 26.471 -1.876 1.00 1.00 C -ATOM 21784 OH TYR D 103 -40.660 25.489 -1.180 1.00 1.00 O -ATOM 21789 N ILE D 104 -44.900 32.294 -3.510 1.00 1.00 N -ATOM 21790 CA ILE D 104 -44.982 33.633 -4.065 1.00 1.00 C -ATOM 21795 C ILE D 104 -43.536 34.103 -4.066 1.00 1.00 C -ATOM 21796 O ILE D 104 -42.791 33.805 -3.118 1.00 1.00 O -ATOM 21791 CB ILE D 104 -45.834 34.576 -3.181 1.00 1.00 C -ATOM 21792 CG1 ILE D 104 -47.285 34.087 -3.115 1.00 1.00 C -ATOM 21794 CG2 ILE D 104 -45.751 36.021 -3.685 1.00 1.00 C -ATOM 21793 CD1 ILE D 104 -48.023 34.194 -4.430 1.00 1.00 C -ATOM 21797 N ARG D 105 -43.118 34.803 -5.121 1.00 1.00 N -ATOM 21798 CA ARG D 105 -41.716 35.220 -5.225 1.00 1.00 C -ATOM 21806 C ARG D 105 -41.524 36.502 -6.000 1.00 1.00 C -ATOM 21807 O ARG D 105 -42.394 36.913 -6.773 1.00 1.00 O -ATOM 21799 CB ARG D 105 -40.878 34.118 -5.867 1.00 1.00 C -ATOM 21800 CG ARG D 105 -41.327 33.766 -7.271 1.00 1.00 C -ATOM 21801 CD ARG D 105 -41.333 32.257 -7.469 1.00 1.00 C -ATOM 21802 NE ARG D 105 -40.045 31.673 -7.120 1.00 1.00 N -ATOM 21803 CZ ARG D 105 -39.844 30.383 -6.884 1.00 1.00 C -ATOM 21804 NH1 ARG D 105 -40.851 29.524 -6.950 1.00 1.00 N -ATOM 21805 NH2 ARG D 105 -38.629 29.955 -6.572 1.00 1.00 N -ATOM 21808 N ASN D 106 -40.378 37.137 -5.773 1.00 1.00 N -ATOM 21809 CA ASN D 106 -39.920 38.228 -6.632 1.00 1.00 C -ATOM 21814 C ASN D 106 -40.744 39.491 -6.539 1.00 1.00 C -ATOM 21815 O ASN D 106 -41.112 40.081 -7.558 1.00 1.00 O -ATOM 21810 CB ASN D 106 -39.898 37.777 -8.089 1.00 1.00 C -ATOM 21811 CG ASN D 106 -38.984 36.617 -8.313 1.00 1.00 C -ATOM 21813 ND2 ASN D 106 -39.373 35.733 -9.227 1.00 1.00 N -ATOM 21812 OD1 ASN D 106 -37.929 36.508 -7.679 1.00 1.00 O -ATOM 21816 N LEU D 107 -41.044 39.913 -5.323 1.00 1.00 N -ATOM 21817 CA LEU D 107 -41.771 41.154 -5.158 1.00 1.00 C -ATOM 21822 C LEU D 107 -40.999 42.253 -5.844 1.00 1.00 C -ATOM 21823 O LEU D 107 -39.777 42.334 -5.716 1.00 1.00 O -ATOM 21818 CB LEU D 107 -41.925 41.490 -3.686 1.00 1.00 C -ATOM 21819 CG LEU D 107 -42.925 40.612 -2.945 1.00 1.00 C -ATOM 21820 CD1 LEU D 107 -42.832 40.905 -1.465 1.00 1.00 C -ATOM 21821 CD2 LEU D 107 -44.330 40.877 -3.477 1.00 1.00 C -ATOM 21824 N ARG D 108 -41.710 43.109 -6.562 1.00 1.00 N -ATOM 21825 CA ARG D 108 -41.051 44.201 -7.237 1.00 1.00 C -ATOM 21833 C ARG D 108 -42.046 45.322 -7.384 1.00 1.00 C -ATOM 21834 O ARG D 108 -43.198 45.092 -7.760 1.00 1.00 O -ATOM 21826 CB ARG D 108 -40.544 43.737 -8.609 1.00 1.00 C -ATOM 21827 CG ARG D 108 -39.305 44.459 -9.069 1.00 1.00 C -ATOM 21828 CD ARG D 108 -38.115 44.122 -8.179 1.00 1.00 C -ATOM 21829 NE ARG D 108 -37.874 42.681 -8.073 1.00 1.00 N -ATOM 21830 CZ ARG D 108 -37.131 41.975 -8.927 1.00 1.00 C -ATOM 21831 NH1 ARG D 108 -36.559 42.573 -9.971 1.00 1.00 N -ATOM 21832 NH2 ARG D 108 -36.967 40.671 -8.745 1.00 1.00 N -ATOM 21835 N LEU D 109 -41.611 46.533 -7.062 1.00 1.00 N -ATOM 21836 CA LEU D 109 -42.433 47.712 -7.294 1.00 1.00 C -ATOM 21841 C LEU D 109 -42.035 48.380 -8.609 1.00 1.00 C -ATOM 21842 O LEU D 109 -40.848 48.446 -8.934 1.00 1.00 O -ATOM 21837 CB LEU D 109 -42.240 48.725 -6.164 1.00 1.00 C -ATOM 21838 CG LEU D 109 -42.962 48.516 -4.837 1.00 1.00 C -ATOM 21839 CD1 LEU D 109 -42.339 49.411 -3.787 1.00 1.00 C -ATOM 21840 CD2 LEU D 109 -44.450 48.807 -4.986 1.00 1.00 C -ATOM 21843 N THR D 110 -43.016 48.887 -9.357 1.00 1.00 N -ATOM 21844 CA THR D 110 -42.714 49.729 -10.512 1.00 1.00 C -ATOM 21848 C THR D 110 -41.994 50.977 -10.018 1.00 1.00 C -ATOM 21849 O THR D 110 -41.807 51.145 -8.813 1.00 1.00 O -ATOM 21845 CB THR D 110 -43.983 50.115 -11.301 1.00 1.00 C -ATOM 21847 CG2 THR D 110 -44.638 48.875 -11.879 1.00 1.00 C -ATOM 21846 OG1 THR D 110 -44.919 50.775 -10.439 1.00 1.00 O -ATOM 21850 N SER D 111 -41.578 51.846 -10.929 1.00 1.00 N -ATOM 21851 CA SER D 111 -40.797 53.010 -10.520 1.00 1.00 C -ATOM 21854 C SER D 111 -41.650 54.007 -9.732 1.00 1.00 C -ATOM 21855 O SER D 111 -41.221 54.534 -8.704 1.00 1.00 O -ATOM 21852 CB SER D 111 -40.144 53.691 -11.728 1.00 1.00 C -ATOM 21853 OG SER D 111 -38.839 54.140 -11.402 1.00 1.00 O -ATOM 21856 N ASP D 112 -42.860 54.258 -10.216 1.00 1.00 N -ATOM 21857 CA ASP D 112 -43.727 55.248 -9.590 1.00 1.00 C -ATOM 21862 C ASP D 112 -44.473 54.606 -8.430 1.00 1.00 C -ATOM 21863 O ASP D 112 -45.284 55.245 -7.755 1.00 1.00 O -ATOM 21858 CB ASP D 112 -44.708 55.831 -10.610 1.00 1.00 C -ATOM 21859 CG ASP D 112 -45.478 54.757 -11.360 1.00 1.00 C -ATOM 21860 OD1 ASP D 112 -45.392 54.724 -12.609 1.00 1.00 O -ATOM 21861 OD2 ASP D 112 -46.157 53.941 -10.699 1.00 1.00 O -ATOM 21864 N GLU D 113 -44.185 53.327 -8.216 1.00 1.00 N -ATOM 21865 CA GLU D 113 -44.758 52.569 -7.111 1.00 1.00 C -ATOM 21871 C GLU D 113 -46.280 52.532 -7.160 1.00 1.00 C -ATOM 21872 O GLU D 113 -46.936 52.313 -6.143 1.00 1.00 O -ATOM 21866 CB GLU D 113 -44.260 53.113 -5.768 1.00 1.00 C -ATOM 21867 CG GLU D 113 -42.779 52.844 -5.504 1.00 1.00 C -ATOM 21868 CD GLU D 113 -42.321 53.357 -4.149 1.00 1.00 C -ATOM 21869 OE1 GLU D 113 -43.086 54.105 -3.512 1.00 1.00 O -ATOM 21870 OE2 GLU D 113 -41.196 53.021 -3.716 1.00 1.00 O -ATOM 21873 N SER D 114 -46.842 52.736 -8.347 1.00 1.00 N -ATOM 21874 CA SER D 114 -48.279 52.578 -8.537 1.00 1.00 C -ATOM 21877 C SER D 114 -48.652 51.110 -8.427 1.00 1.00 C -ATOM 21878 O SER D 114 -49.721 50.758 -7.911 1.00 1.00 O -ATOM 21875 CB SER D 114 -48.710 53.105 -9.910 1.00 1.00 C -ATOM 21876 OG SER D 114 -48.251 52.260 -10.956 1.00 1.00 O -ATOM 21879 N ARG D 115 -47.765 50.255 -8.926 1.00 1.00 N -ATOM 21880 CA ARG D 115 -48.055 48.834 -8.991 1.00 1.00 C -ATOM 21888 C ARG D 115 -46.942 47.996 -8.396 1.00 1.00 C -ATOM 21889 O ARG D 115 -45.780 48.413 -8.344 1.00 1.00 O -ATOM 21881 CB ARG D 115 -48.293 48.416 -10.442 1.00 1.00 C -ATOM 21882 CG ARG D 115 -49.652 48.818 -10.982 1.00 1.00 C -ATOM 21883 CD ARG D 115 -49.794 48.482 -12.457 1.00 1.00 C -ATOM 21884 NE ARG D 115 -49.005 49.384 -13.292 1.00 1.00 N -ATOM 21885 CZ ARG D 115 -49.163 49.510 -14.603 1.00 1.00 C -ATOM 21886 NH1 ARG D 115 -50.086 48.788 -15.233 1.00 1.00 N -ATOM 21887 NH2 ARG D 115 -48.396 50.355 -15.280 1.00 1.00 N -ATOM 21890 N LEU D 116 -47.312 46.798 -7.971 1.00 1.00 N -ATOM 21891 CA LEU D 116 -46.378 45.833 -7.418 1.00 1.00 C -ATOM 21896 C LEU D 116 -46.522 44.584 -8.253 1.00 1.00 C -ATOM 21897 O LEU D 116 -47.650 44.183 -8.562 1.00 1.00 O -ATOM 21892 CB LEU D 116 -46.760 45.504 -5.972 1.00 1.00 C -ATOM 21893 CG LEU D 116 -45.965 44.387 -5.302 1.00 1.00 C -ATOM 21894 CD1 LEU D 116 -44.620 44.924 -4.880 1.00 1.00 C -ATOM 21895 CD2 LEU D 116 -46.712 43.831 -4.096 1.00 1.00 C -ATOM 21898 N ILE D 117 -45.405 43.962 -8.624 1.00 1.00 N -ATOM 21899 CA ILE D 117 -45.487 42.705 -9.357 1.00 1.00 C -ATOM 21904 C ILE D 117 -44.837 41.574 -8.576 1.00 1.00 C -ATOM 21905 O ILE D 117 -44.001 41.804 -7.702 1.00 1.00 O -ATOM 21900 CB ILE D 117 -44.883 42.809 -10.771 1.00 1.00 C -ATOM 21901 CG1 ILE D 117 -43.420 43.244 -10.699 1.00 1.00 C -ATOM 21903 CG2 ILE D 117 -45.683 43.787 -11.633 1.00 1.00 C -ATOM 21902 CD1 ILE D 117 -42.714 43.128 -12.017 1.00 1.00 C -ATOM 21906 N ALA D 118 -45.244 40.351 -8.887 1.00 1.00 N -ATOM 21907 CA ALA D 118 -44.732 39.181 -8.201 1.00 1.00 C -ATOM 21909 C ALA D 118 -45.016 37.948 -9.035 1.00 1.00 C -ATOM 21910 O ALA D 118 -45.715 38.017 -10.041 1.00 1.00 O -ATOM 21908 CB ALA D 118 -45.367 39.042 -6.817 1.00 1.00 C -ATOM 21911 N CYS D 119 -44.482 36.815 -8.613 1.00 1.00 N -ATOM 21912 CA CYS D 119 -44.701 35.592 -9.349 1.00 1.00 C -ATOM 21915 C CYS D 119 -45.459 34.624 -8.483 1.00 1.00 C -ATOM 21916 O CYS D 119 -45.190 34.520 -7.288 1.00 1.00 O -ATOM 21913 CB CYS D 119 -43.364 34.991 -9.795 1.00 1.00 C -ATOM 21914 SG CYS D 119 -42.344 36.149 -10.786 1.00 1.00 S -ATOM 21917 N ALA D 120 -46.402 33.917 -9.100 1.00 1.00 N -ATOM 21918 CA ALA D 120 -47.186 32.893 -8.423 1.00 1.00 C -ATOM 21920 C ALA D 120 -46.909 31.512 -9.018 1.00 1.00 C -ATOM 21921 O ALA D 120 -47.217 31.269 -10.182 1.00 1.00 O -ATOM 21919 CB ALA D 120 -48.670 33.226 -8.527 1.00 1.00 C -ATOM 21922 N ASP D 121 -46.342 30.607 -8.223 1.00 1.00 N -ATOM 21923 CA ASP D 121 -46.036 29.253 -8.698 1.00 1.00 C -ATOM 21928 C ASP D 121 -47.279 28.434 -9.037 1.00 1.00 C -ATOM 21929 O ASP D 121 -47.255 27.620 -9.963 1.00 1.00 O -ATOM 21924 CB ASP D 121 -45.208 28.473 -7.671 1.00 1.00 C -ATOM 21925 CG ASP D 121 -43.741 28.832 -7.708 1.00 1.00 C -ATOM 21926 OD1 ASP D 121 -43.386 29.849 -8.340 1.00 1.00 O -ATOM 21927 OD2 ASP D 121 -42.937 28.092 -7.105 1.00 1.00 O -ATOM 21930 N SER D 122 -48.348 28.628 -8.266 1.00 1.00 N -ATOM 21931 CA SER D 122 -49.586 27.874 -8.450 1.00 1.00 C -ATOM 21934 C SER D 122 -50.040 27.985 -9.889 1.00 1.00 C -ATOM 21935 O SER D 122 -50.592 27.055 -10.467 1.00 1.00 O -ATOM 21932 CB SER D 122 -50.683 28.459 -7.563 1.00 1.00 C -ATOM 21933 OG SER D 122 -51.112 29.730 -8.047 1.00 1.00 O -ATOM 21936 N ASP D 123 -49.767 29.146 -10.458 1.00 1.00 N -ATOM 21937 CA ASP D 123 -50.435 29.603 -11.647 1.00 1.00 C -ATOM 21942 C ASP D 123 -49.453 29.786 -12.796 1.00 1.00 C -ATOM 21943 O ASP D 123 -49.849 30.071 -13.933 1.00 1.00 O -ATOM 21938 CB ASP D 123 -51.052 30.951 -11.331 1.00 1.00 C -ATOM 21939 CG ASP D 123 -52.227 31.237 -12.181 1.00 1.00 C -ATOM 21940 OD1 ASP D 123 -52.760 30.252 -12.734 1.00 1.00 O -ATOM 21941 OD2 ASP D 123 -52.608 32.422 -12.300 1.00 1.00 O -ATOM 21944 N LYS D 124 -48.167 29.645 -12.490 1.00 1.00 N -ATOM 21945 CA LYS D 124 -47.119 30.030 -13.424 1.00 1.00 C -ATOM 21951 C LYS D 124 -47.429 31.421 -13.967 1.00 1.00 C -ATOM 21952 O LYS D 124 -47.327 31.667 -15.165 1.00 1.00 O -ATOM 21946 CB LYS D 124 -47.011 29.010 -14.560 1.00 1.00 C -ATOM 21947 CG LYS D 124 -46.696 27.609 -14.075 1.00 1.00 C -ATOM 21948 CD LYS D 124 -46.729 26.622 -15.218 1.00 1.00 C -ATOM 21949 CE LYS D 124 -46.596 25.193 -14.706 1.00 1.00 C -ATOM 21950 NZ LYS D 124 -45.391 25.007 -13.846 1.00 1.00 N -ATOM 21953 N SER D 125 -47.808 32.332 -13.077 1.00 1.00 N -ATOM 21954 CA SER D 125 -48.271 33.651 -13.499 1.00 1.00 C -ATOM 21957 C SER D 125 -47.415 34.815 -13.008 1.00 1.00 C -ATOM 21958 O SER D 125 -46.631 34.681 -12.061 1.00 1.00 O -ATOM 21955 CB SER D 125 -49.720 33.875 -13.050 1.00 1.00 C -ATOM 21956 OG SER D 125 -49.807 33.957 -11.635 1.00 1.00 O -ATOM 21959 N LEU D 126 -47.585 35.952 -13.679 1.00 1.00 N -ATOM 21960 CA LEU D 126 -47.041 37.221 -13.242 1.00 1.00 C -ATOM 21965 C LEU D 126 -48.224 37.997 -12.672 1.00 1.00 C -ATOM 21966 O LEU D 126 -49.128 38.400 -13.411 1.00 1.00 O -ATOM 21961 CB LEU D 126 -46.439 37.969 -14.438 1.00 1.00 C -ATOM 21962 CG LEU D 126 -45.394 39.088 -14.303 1.00 1.00 C -ATOM 21963 CD1 LEU D 126 -45.912 40.451 -14.749 1.00 1.00 C -ATOM 21964 CD2 LEU D 126 -44.760 39.156 -12.916 1.00 1.00 C -ATOM 21967 N LEU D 127 -48.234 38.175 -11.355 1.00 1.00 N -ATOM 21968 CA LEU D 127 -49.279 38.944 -10.701 1.00 1.00 C -ATOM 21973 C LEU D 127 -48.945 40.411 -10.799 1.00 1.00 C -ATOM 21974 O LEU D 127 -47.811 40.817 -10.557 1.00 1.00 O -ATOM 21969 CB LEU D 127 -49.382 38.562 -9.230 1.00 1.00 C -ATOM 21970 CG LEU D 127 -49.432 37.061 -8.997 1.00 1.00 C -ATOM 21971 CD1 LEU D 127 -48.971 36.735 -7.586 1.00 1.00 C -ATOM 21972 CD2 LEU D 127 -50.838 36.532 -9.258 1.00 1.00 C -ATOM 21975 N VAL D 128 -49.938 41.206 -11.164 1.00 1.00 N -ATOM 21976 CA VAL D 128 -49.809 42.649 -11.076 1.00 1.00 C -ATOM 21980 C VAL D 128 -50.837 43.140 -10.063 1.00 1.00 C -ATOM 21981 O VAL D 128 -52.022 42.790 -10.141 1.00 1.00 O -ATOM 21977 CB VAL D 128 -50.023 43.326 -12.434 1.00 1.00 C -ATOM 21978 CG1 VAL D 128 -49.855 44.824 -12.297 1.00 1.00 C -ATOM 21979 CG2 VAL D 128 -49.043 42.775 -13.455 1.00 1.00 C -ATOM 21982 N PHE D 129 -50.370 43.915 -9.089 1.00 1.00 N -ATOM 21983 CA PHE D 129 -51.249 44.493 -8.074 1.00 1.00 C -ATOM 21991 C PHE D 129 -51.319 45.996 -8.242 1.00 1.00 C -ATOM 21992 O PHE D 129 -50.349 46.623 -8.679 1.00 1.00 O -ATOM 21984 CB PHE D 129 -50.723 44.211 -6.668 1.00 1.00 C -ATOM 21985 CG PHE D 129 -50.780 42.773 -6.269 1.00 1.00 C -ATOM 21986 CD1 PHE D 129 -49.742 41.913 -6.588 1.00 1.00 C -ATOM 21990 CD2 PHE D 129 -51.860 42.285 -5.542 1.00 1.00 C -ATOM 21987 CE1 PHE D 129 -49.786 40.574 -6.206 1.00 1.00 C -ATOM 21989 CE2 PHE D 129 -51.916 40.956 -5.156 1.00 1.00 C -ATOM 21988 CZ PHE D 129 -50.878 40.095 -5.487 1.00 1.00 C -ATOM 21993 N ASP D 130 -52.465 46.573 -7.888 1.00 1.00 N -ATOM 21994 CA ASP D 130 -52.557 48.020 -7.715 1.00 1.00 C -ATOM 21999 C ASP D 130 -52.272 48.365 -6.257 1.00 1.00 C -ATOM 22000 O ASP D 130 -52.789 47.716 -5.347 1.00 1.00 O -ATOM 21995 CB ASP D 130 -53.918 48.546 -8.168 1.00 1.00 C -ATOM 21996 CG ASP D 130 -53.874 49.132 -9.575 1.00 1.00 C -ATOM 21997 OD1 ASP D 130 -52.756 49.320 -10.103 1.00 1.00 O -ATOM 21998 OD2 ASP D 130 -54.951 49.422 -10.145 1.00 1.00 O -ATOM 22001 N VAL D 131 -51.430 49.370 -6.040 1.00 1.00 N -ATOM 22002 CA VAL D 131 -50.954 49.708 -4.699 1.00 1.00 C -ATOM 22006 C VAL D 131 -51.575 50.992 -4.130 1.00 1.00 C -ATOM 22007 O VAL D 131 -51.217 52.105 -4.540 1.00 1.00 O -ATOM 22003 CB VAL D 131 -49.410 49.838 -4.672 1.00 1.00 C -ATOM 22004 CG1 VAL D 131 -48.944 50.492 -3.372 1.00 1.00 C -ATOM 22005 CG2 VAL D 131 -48.764 48.475 -4.857 1.00 1.00 C -ATOM 22008 N ASP D 132 -52.493 50.831 -3.176 1.00 1.00 N -ATOM 22009 CA ASP D 132 -53.148 51.975 -2.534 1.00 1.00 C -ATOM 22014 C ASP D 132 -52.366 52.448 -1.305 1.00 1.00 C -ATOM 22015 O ASP D 132 -52.410 51.828 -0.237 1.00 1.00 O -ATOM 22010 CB ASP D 132 -54.596 51.638 -2.161 1.00 1.00 C -ATOM 22011 CG ASP D 132 -55.495 52.876 -2.088 1.00 1.00 C -ATOM 22012 OD1 ASP D 132 -56.736 52.706 -2.117 1.00 1.00 O -ATOM 22013 OD2 ASP D 132 -54.973 54.011 -2.005 1.00 1.00 O -ATOM 22016 N LYS D 133 -51.653 53.556 -1.480 1.00 1.00 N -ATOM 22017 CA LYS D 133 -50.780 54.120 -0.455 1.00 1.00 C -ATOM 22023 C LYS D 133 -51.577 54.640 0.742 1.00 1.00 C -ATOM 22024 O LYS D 133 -51.014 54.908 1.807 1.00 1.00 O -ATOM 22018 CB LYS D 133 -49.957 55.262 -1.069 1.00 1.00 C -ATOM 22019 CG LYS D 133 -48.470 55.190 -0.791 1.00 1.00 C -ATOM 22020 CD LYS D 133 -48.173 55.490 0.662 1.00 1.00 C -ATOM 22021 CE LYS D 133 -46.687 55.379 0.946 1.00 1.00 C -ATOM 22022 NZ LYS D 133 -46.303 56.233 2.102 1.00 1.00 N -ATOM 22025 N THR D 134 -52.888 54.778 0.557 1.00 1.00 N -ATOM 22026 CA THR D 134 -53.753 55.409 1.548 1.00 1.00 C -ATOM 22030 C THR D 134 -54.698 54.408 2.191 1.00 1.00 C -ATOM 22031 O THR D 134 -55.009 54.511 3.372 1.00 1.00 O -ATOM 22027 CB THR D 134 -54.604 56.525 0.911 1.00 1.00 C -ATOM 22029 CG2 THR D 134 -53.711 57.598 0.274 1.00 1.00 C -ATOM 22028 OG1 THR D 134 -55.463 55.959 -0.089 1.00 1.00 O -ATOM 22032 N SER D 135 -55.152 53.439 1.406 1.00 1.00 N -ATOM 22033 CA SER D 135 -56.133 52.464 1.872 1.00 1.00 C -ATOM 22036 C SER D 135 -55.664 51.611 3.052 1.00 1.00 C -ATOM 22037 O SER D 135 -54.468 51.481 3.303 1.00 1.00 O -ATOM 22034 CB SER D 135 -56.559 51.547 0.723 1.00 1.00 C -ATOM 22035 OG SER D 135 -57.224 50.393 1.214 1.00 1.00 O -ATOM 22038 N LYS D 136 -56.631 51.040 3.772 1.00 1.00 N -ATOM 22039 CA LYS D 136 -56.359 50.086 4.842 1.00 1.00 C -ATOM 22045 C LYS D 136 -55.772 48.814 4.253 1.00 1.00 C -ATOM 22046 O LYS D 136 -54.733 48.342 4.697 1.00 1.00 O -ATOM 22040 CB LYS D 136 -57.635 49.758 5.629 1.00 1.00 C -ATOM 22041 CG LYS D 136 -58.197 50.918 6.454 1.00 1.00 C -ATOM 22042 CD LYS D 136 -59.076 50.422 7.601 1.00 1.00 C -ATOM 22043 CE LYS D 136 -59.775 51.573 8.310 1.00 1.00 C -ATOM 22044 NZ LYS D 136 -60.844 52.173 7.461 1.00 1.00 N -ATOM 22047 N ASN D 137 -56.454 48.261 3.255 1.00 1.00 N -ATOM 22048 CA ASN D 137 -55.915 47.160 2.469 1.00 1.00 C -ATOM 22053 C ASN D 137 -55.192 47.704 1.231 1.00 1.00 C -ATOM 22054 O ASN D 137 -55.829 48.192 0.295 1.00 1.00 O -ATOM 22049 CB ASN D 137 -57.027 46.198 2.059 1.00 1.00 C -ATOM 22050 CG ASN D 137 -56.491 44.935 1.414 1.00 1.00 C -ATOM 22052 ND2 ASN D 137 -57.271 44.354 0.508 1.00 1.00 N -ATOM 22051 OD1 ASN D 137 -55.386 44.484 1.729 1.00 1.00 O -ATOM 22055 N VAL D 138 -53.861 47.613 1.234 1.00 1.00 N -ATOM 22056 CA VAL D 138 -53.020 48.296 0.243 1.00 1.00 C -ATOM 22060 C VAL D 138 -52.975 47.637 -1.146 1.00 1.00 C -ATOM 22061 O VAL D 138 -52.893 48.330 -2.166 1.00 1.00 O -ATOM 22057 CB VAL D 138 -51.582 48.499 0.782 1.00 1.00 C -ATOM 22058 CG1 VAL D 138 -50.645 48.911 -0.336 1.00 1.00 C -ATOM 22059 CG2 VAL D 138 -51.577 49.538 1.906 1.00 1.00 C -ATOM 22062 N LEU D 139 -53.058 46.308 -1.182 1.00 1.00 N -ATOM 22063 CA LEU D 139 -52.911 45.564 -2.434 1.00 1.00 C -ATOM 22068 C LEU D 139 -54.231 45.120 -3.069 1.00 1.00 C -ATOM 22069 O LEU D 139 -55.094 44.551 -2.397 1.00 1.00 O -ATOM 22064 CB LEU D 139 -52.001 44.344 -2.233 1.00 1.00 C -ATOM 22065 CG LEU D 139 -50.525 44.658 -2.005 1.00 1.00 C -ATOM 22066 CD1 LEU D 139 -49.681 43.417 -2.246 1.00 1.00 C -ATOM 22067 CD2 LEU D 139 -50.095 45.791 -2.921 1.00 1.00 C -ATOM 22070 N LYS D 140 -54.377 45.380 -4.369 1.00 1.00 N -ATOM 22071 CA LYS D 140 -55.492 44.828 -5.142 1.00 1.00 C -ATOM 22077 C LYS D 140 -55.002 44.088 -6.394 1.00 1.00 C -ATOM 22078 O LYS D 140 -54.552 44.712 -7.368 1.00 1.00 O -ATOM 22072 CB LYS D 140 -56.516 45.911 -5.530 1.00 1.00 C -ATOM 22073 CG LYS D 140 -56.906 46.865 -4.409 1.00 1.00 C -ATOM 22074 CD LYS D 140 -56.167 48.189 -4.551 1.00 1.00 C -ATOM 22075 CE LYS D 140 -55.944 48.848 -3.197 1.00 1.00 C -ATOM 22076 NZ LYS D 140 -57.130 48.743 -2.301 1.00 1.00 N -ATOM 22079 N LEU D 141 -55.092 42.758 -6.352 1.00 1.00 N -ATOM 22080 CA LEU D 141 -54.743 41.921 -7.494 1.00 1.00 C -ATOM 22085 C LEU D 141 -55.572 42.310 -8.712 1.00 1.00 C -ATOM 22086 O LEU D 141 -56.785 42.103 -8.724 1.00 1.00 O -ATOM 22081 CB LEU D 141 -54.988 40.448 -7.171 1.00 1.00 C -ATOM 22082 CG LEU D 141 -54.748 39.512 -8.364 1.00 1.00 C -ATOM 22083 CD1 LEU D 141 -53.360 39.735 -8.948 1.00 1.00 C -ATOM 22084 CD2 LEU D 141 -54.940 38.044 -7.996 1.00 1.00 C -ATOM 22087 N ARG D 142 -54.931 42.866 -9.737 1.00 1.00 N -ATOM 22088 CA ARG D 142 -55.674 43.277 -10.927 1.00 1.00 C -ATOM 22096 C ARG D 142 -55.447 42.397 -12.159 1.00 1.00 C -ATOM 22097 O ARG D 142 -56.330 42.280 -13.007 1.00 1.00 O -ATOM 22089 CB ARG D 142 -55.426 44.753 -11.253 1.00 1.00 C -ATOM 22090 CG ARG D 142 -56.127 45.697 -10.293 1.00 1.00 C -ATOM 22091 CD ARG D 142 -56.282 47.084 -10.897 1.00 1.00 C -ATOM 22092 NE ARG D 142 -57.434 47.178 -11.791 1.00 1.00 N -ATOM 22093 CZ ARG D 142 -57.884 48.314 -12.319 1.00 1.00 C -ATOM 22094 NH1 ARG D 142 -57.278 49.463 -12.045 1.00 1.00 N -ATOM 22095 NH2 ARG D 142 -58.942 48.302 -13.119 1.00 1.00 N -ATOM 22098 N LYS D 143 -54.274 41.782 -12.265 1.00 1.00 N -ATOM 22099 CA LYS D 143 -53.987 40.930 -13.417 1.00 1.00 C -ATOM 22105 C LYS D 143 -53.228 39.660 -13.060 1.00 1.00 C -ATOM 22106 O LYS D 143 -52.486 39.601 -12.076 1.00 1.00 O -ATOM 22100 CB LYS D 143 -53.218 41.698 -14.484 1.00 1.00 C -ATOM 22101 CG LYS D 143 -53.927 42.939 -14.965 1.00 1.00 C -ATOM 22102 CD LYS D 143 -53.338 43.424 -16.282 1.00 1.00 C -ATOM 22103 CE LYS D 143 -53.766 44.845 -16.572 1.00 1.00 C -ATOM 22104 NZ LYS D 143 -53.300 45.320 -17.896 1.00 1.00 N -ATOM 22107 N ARG D 144 -53.425 38.638 -13.879 1.00 1.00 N -ATOM 22108 CA ARG D 144 -52.661 37.405 -13.765 1.00 1.00 C -ATOM 22116 C ARG D 144 -52.215 36.904 -15.138 1.00 1.00 C -ATOM 22117 O ARG D 144 -52.948 36.170 -15.805 1.00 1.00 O -ATOM 22109 CB ARG D 144 -53.489 36.322 -13.084 1.00 1.00 C -ATOM 22110 CG ARG D 144 -53.349 36.257 -11.592 1.00 1.00 C -ATOM 22111 CD ARG D 144 -53.894 34.941 -11.135 1.00 1.00 C -ATOM 22112 NE ARG D 144 -54.059 34.870 -9.689 1.00 1.00 N -ATOM 22113 CZ ARG D 144 -53.412 34.018 -8.898 1.00 1.00 C -ATOM 22114 NH1 ARG D 144 -52.546 33.148 -9.410 1.00 1.00 N -ATOM 22115 NH2 ARG D 144 -53.636 34.031 -7.591 1.00 1.00 N -ATOM 22118 N PHE D 145 -51.013 37.297 -15.552 1.00 1.00 N -ATOM 22119 CA PHE D 145 -50.441 36.846 -16.823 1.00 1.00 C -ATOM 22127 C PHE D 145 -49.868 35.455 -16.663 1.00 1.00 C -ATOM 22128 O PHE D 145 -48.884 35.274 -15.953 1.00 1.00 O -ATOM 22120 CB PHE D 145 -49.324 37.788 -17.255 1.00 1.00 C -ATOM 22121 CG PHE D 145 -49.789 39.169 -17.574 1.00 1.00 C -ATOM 22122 CD1 PHE D 145 -49.739 40.169 -16.622 1.00 1.00 C -ATOM 22126 CD2 PHE D 145 -50.272 39.473 -18.835 1.00 1.00 C -ATOM 22123 CE1 PHE D 145 -50.162 41.461 -16.924 1.00 1.00 C -ATOM 22125 CE2 PHE D 145 -50.699 40.758 -19.145 1.00 1.00 C -ATOM 22124 CZ PHE D 145 -50.644 41.755 -18.188 1.00 1.00 C -ATOM 22129 N CYS D 146 -50.466 34.470 -17.322 1.00 1.00 N -ATOM 22130 CA CYS D 146 -49.999 33.082 -17.181 1.00 1.00 C -ATOM 22133 C CYS D 146 -48.955 32.646 -18.223 1.00 1.00 C -ATOM 22134 O CYS D 146 -48.921 33.150 -19.352 1.00 1.00 O -ATOM 22131 CB CYS D 146 -51.181 32.102 -17.166 1.00 1.00 C -ATOM 22132 SG CYS D 146 -52.313 32.338 -15.779 1.00 1.00 S -ATOM 22135 N PHE D 147 -48.109 31.699 -17.824 1.00 1.00 N -ATOM 22136 CA PHE D 147 -47.014 31.220 -18.662 1.00 1.00 C -ATOM 22144 C PHE D 147 -47.002 29.692 -18.685 1.00 1.00 C -ATOM 22145 O PHE D 147 -47.641 29.037 -17.856 1.00 1.00 O -ATOM 22137 CB PHE D 147 -45.668 31.733 -18.135 1.00 1.00 C -ATOM 22138 CG PHE D 147 -45.464 33.227 -18.300 1.00 1.00 C -ATOM 22139 CD1 PHE D 147 -44.781 33.733 -19.400 1.00 1.00 C -ATOM 22143 CD2 PHE D 147 -45.930 34.122 -17.343 1.00 1.00 C -ATOM 22140 CE1 PHE D 147 -44.581 35.109 -19.559 1.00 1.00 C -ATOM 22142 CE2 PHE D 147 -45.731 35.499 -17.498 1.00 1.00 C -ATOM 22141 CZ PHE D 147 -45.055 35.988 -18.608 1.00 1.00 C -ATOM 22146 N SER D 148 -46.268 29.120 -19.633 1.00 1.00 N -ATOM 22147 CA SER D 148 -46.201 27.667 -19.757 1.00 1.00 C -ATOM 22150 C SER D 148 -45.328 27.032 -18.675 1.00 1.00 C -ATOM 22151 O SER D 148 -45.703 26.023 -18.080 1.00 1.00 O -ATOM 22148 CB SER D 148 -45.715 27.273 -21.154 1.00 1.00 C -ATOM 22149 OG SER D 148 -44.668 28.124 -21.597 1.00 1.00 O -ATOM 22152 N LYS D 149 -44.159 27.622 -18.440 1.00 1.00 N -ATOM 22153 CA LYS D 149 -43.274 27.212 -17.354 1.00 1.00 C -ATOM 22159 C LYS D 149 -43.325 28.313 -16.313 1.00 1.00 C -ATOM 22160 O LYS D 149 -43.728 29.439 -16.622 1.00 1.00 O -ATOM 22154 CB LYS D 149 -41.842 27.049 -17.859 1.00 1.00 C -ATOM 22155 CG LYS D 149 -41.721 26.237 -19.138 1.00 1.00 C -ATOM 22156 CD LYS D 149 -41.904 24.753 -18.875 1.00 1.00 C -ATOM 22157 CE LYS D 149 -41.836 23.960 -20.173 1.00 1.00 C -ATOM 22158 NZ LYS D 149 -41.954 22.492 -19.931 1.00 1.00 N -ATOM 22161 N ARG D 150 -42.922 28.010 -15.084 1.00 1.00 N -ATOM 22162 CA ARG D 150 -43.042 28.999 -14.018 1.00 1.00 C -ATOM 22170 C ARG D 150 -41.915 30.037 -14.031 1.00 1.00 C -ATOM 22171 O ARG D 150 -40.738 29.689 -14.156 1.00 1.00 O -ATOM 22163 CB ARG D 150 -43.133 28.326 -12.647 1.00 1.00 C -ATOM 22164 CG ARG D 150 -41.842 27.692 -12.176 1.00 1.00 C -ATOM 22165 CD ARG D 150 -41.907 27.384 -10.687 1.00 1.00 C -ATOM 22166 NE ARG D 150 -40.611 26.962 -10.161 1.00 1.00 N -ATOM 22167 CZ ARG D 150 -39.653 27.804 -9.782 1.00 1.00 C -ATOM 22168 NH1 ARG D 150 -39.845 29.117 -9.872 1.00 1.00 N -ATOM 22169 NH2 ARG D 150 -38.503 27.340 -9.309 1.00 1.00 N -ATOM 22172 N PRO D 151 -42.282 31.322 -13.907 1.00 1.00 N -ATOM 22173 CA PRO D 151 -41.318 32.414 -13.774 1.00 1.00 C -ATOM 22177 C PRO D 151 -40.360 32.137 -12.635 1.00 1.00 C -ATOM 22178 O PRO D 151 -40.791 31.669 -11.580 1.00 1.00 O -ATOM 22174 CB PRO D 151 -42.194 33.612 -13.421 1.00 1.00 C -ATOM 22175 CG PRO D 151 -43.506 33.305 -14.039 1.00 1.00 C -ATOM 22176 CD PRO D 151 -43.672 31.812 -13.915 1.00 1.00 C -ATOM 22179 N ASN D 152 -39.075 32.410 -12.843 1.00 1.00 N -ATOM 22180 CA ASN D 152 -38.105 32.211 -11.778 1.00 1.00 C -ATOM 22185 C ASN D 152 -37.444 33.507 -11.322 1.00 1.00 C -ATOM 22186 O ASN D 152 -37.169 33.692 -10.134 1.00 1.00 O -ATOM 22181 CB ASN D 152 -37.060 31.161 -12.158 1.00 1.00 C -ATOM 22182 CG ASN D 152 -36.417 30.520 -10.941 1.00 1.00 C -ATOM 22184 ND2 ASN D 152 -37.238 29.968 -10.047 1.00 1.00 N -ATOM 22183 OD1 ASN D 152 -35.197 30.541 -10.795 1.00 1.00 O -ATOM 22187 N ALA D 153 -37.185 34.402 -12.263 1.00 1.00 N -ATOM 22188 CA ALA D 153 -36.666 35.714 -11.919 1.00 1.00 C -ATOM 22190 C ALA D 153 -37.340 36.708 -12.821 1.00 1.00 C -ATOM 22191 O ALA D 153 -37.840 36.331 -13.883 1.00 1.00 O -ATOM 22189 CB ALA D 153 -35.160 35.771 -12.100 1.00 1.00 C -ATOM 22192 N ILE D 154 -37.355 37.969 -12.394 1.00 1.00 N -ATOM 22193 CA ILE D 154 -37.931 39.035 -13.196 1.00 1.00 C -ATOM 22198 C ILE D 154 -37.190 40.351 -13.020 1.00 1.00 C -ATOM 22199 O ILE D 154 -36.424 40.538 -12.080 1.00 1.00 O -ATOM 22194 CB ILE D 154 -39.422 39.256 -12.895 1.00 1.00 C -ATOM 22195 CG1 ILE D 154 -39.621 39.665 -11.438 1.00 1.00 C -ATOM 22197 CG2 ILE D 154 -40.227 38.007 -13.195 1.00 1.00 C -ATOM 22196 CD1 ILE D 154 -41.073 39.879 -11.089 1.00 1.00 C -ATOM 22200 N SER D 155 -37.423 41.253 -13.962 1.00 1.00 N -ATOM 22201 CA SER D 155 -36.786 42.553 -13.980 1.00 1.00 C -ATOM 22204 C SER D 155 -37.685 43.426 -14.831 1.00 1.00 C -ATOM 22205 O SER D 155 -38.261 42.958 -15.811 1.00 1.00 O -ATOM 22202 CB SER D 155 -35.390 42.458 -14.605 1.00 1.00 C -ATOM 22203 OG SER D 155 -34.703 43.693 -14.529 1.00 1.00 O -ATOM 22206 N ILE D 156 -37.851 44.681 -14.445 1.00 1.00 N -ATOM 22207 CA ILE D 156 -38.669 45.576 -15.246 1.00 1.00 C -ATOM 22212 C ILE D 156 -37.773 46.353 -16.178 1.00 1.00 C -ATOM 22213 O ILE D 156 -36.660 46.727 -15.804 1.00 1.00 O -ATOM 22208 CB ILE D 156 -39.502 46.571 -14.397 1.00 1.00 C -ATOM 22209 CG1 ILE D 156 -40.002 45.918 -13.105 1.00 1.00 C -ATOM 22211 CG2 ILE D 156 -40.663 47.132 -15.220 1.00 1.00 C -ATOM 22210 CD1 ILE D 156 -39.061 46.105 -11.937 1.00 1.00 C -ATOM 22214 N ALA D 157 -38.257 46.584 -17.395 1.00 1.00 N -ATOM 22215 CA ALA D 157 -37.521 47.380 -18.374 1.00 1.00 C -ATOM 22217 C ALA D 157 -37.486 48.858 -17.970 1.00 1.00 C -ATOM 22218 O ALA D 157 -38.247 49.293 -17.096 1.00 1.00 O -ATOM 22216 CB ALA D 157 -38.113 47.203 -19.784 1.00 1.00 C -ATOM 22219 N GLU D 158 -36.595 49.621 -18.600 1.00 1.00 N -ATOM 22220 CA GLU D 158 -36.434 51.035 -18.270 1.00 1.00 C -ATOM 22226 C GLU D 158 -37.700 51.842 -18.589 1.00 1.00 C -ATOM 22227 O GLU D 158 -37.989 52.839 -17.920 1.00 1.00 O -ATOM 22221 CB GLU D 158 -35.183 51.624 -18.947 1.00 1.00 C -ATOM 22222 CG GLU D 158 -33.878 51.408 -18.155 1.00 1.00 C -ATOM 22223 CD GLU D 158 -33.482 49.933 -18.024 1.00 1.00 C -ATOM 22224 OE1 GLU D 158 -33.520 49.203 -19.046 1.00 1.00 O -ATOM 22225 OE2 GLU D 158 -33.124 49.509 -16.899 1.00 1.00 O -ATOM 22228 N ASP D 159 -38.455 51.391 -19.594 1.00 1.00 N -ATOM 22229 CA ASP D 159 -39.747 52.001 -19.931 1.00 1.00 C -ATOM 22234 C ASP D 159 -40.758 51.878 -18.788 1.00 1.00 C -ATOM 22235 O ASP D 159 -41.745 52.609 -18.732 1.00 1.00 O -ATOM 22230 CB ASP D 159 -40.318 51.445 -21.251 1.00 1.00 C -ATOM 22231 CG ASP D 159 -40.368 49.918 -21.291 1.00 1.00 C -ATOM 22232 OD1 ASP D 159 -39.605 49.322 -22.086 1.00 1.00 O -ATOM 22233 OD2 ASP D 159 -41.167 49.309 -20.547 1.00 1.00 O -ATOM 22236 N ASP D 160 -40.494 50.943 -17.884 1.00 1.00 N -ATOM 22237 CA ASP D 160 -41.289 50.763 -16.678 1.00 1.00 C -ATOM 22242 C ASP D 160 -42.666 50.138 -16.948 1.00 1.00 C -ATOM 22243 O ASP D 160 -43.547 50.147 -16.078 1.00 1.00 O -ATOM 22238 CB ASP D 160 -41.425 52.088 -15.917 1.00 1.00 C -ATOM 22239 CG ASP D 160 -41.345 51.903 -14.409 1.00 1.00 C -ATOM 22240 OD1 ASP D 160 -40.401 51.217 -13.951 1.00 1.00 O -ATOM 22241 OD2 ASP D 160 -42.217 52.443 -13.687 1.00 1.00 O -ATOM 22244 N THR D 161 -42.846 49.579 -18.140 1.00 1.00 N -ATOM 22245 CA THR D 161 -44.114 48.935 -18.482 1.00 1.00 C -ATOM 22249 C THR D 161 -43.888 47.477 -18.903 1.00 1.00 C -ATOM 22250 O THR D 161 -44.785 46.621 -18.824 1.00 1.00 O -ATOM 22246 CB THR D 161 -44.825 49.714 -19.606 1.00 1.00 C -ATOM 22248 CG2 THR D 161 -44.157 49.448 -20.969 1.00 1.00 C -ATOM 22247 OG1 THR D 161 -46.211 49.348 -19.650 1.00 1.00 O -ATOM 22251 N THR D 162 -42.664 47.215 -19.338 1.00 1.00 N -ATOM 22252 CA THR D 162 -42.271 45.913 -19.829 1.00 1.00 C -ATOM 22256 C THR D 162 -41.570 45.129 -18.733 1.00 1.00 C -ATOM 22257 O THR D 162 -40.610 45.595 -18.121 1.00 1.00 O -ATOM 22253 CB THR D 162 -41.319 46.043 -21.027 1.00 1.00 C -ATOM 22255 CG2 THR D 162 -41.087 44.675 -21.673 1.00 1.00 C -ATOM 22254 OG1 THR D 162 -41.873 46.962 -21.982 1.00 1.00 O -ATOM 22258 N VAL D 163 -42.062 43.925 -18.496 1.00 1.00 N -ATOM 22259 CA VAL D 163 -41.463 43.050 -17.515 1.00 1.00 C -ATOM 22263 C VAL D 163 -40.741 41.915 -18.214 1.00 1.00 C -ATOM 22264 O VAL D 163 -41.315 41.232 -19.058 1.00 1.00 O -ATOM 22260 CB VAL D 163 -42.539 42.482 -16.589 1.00 1.00 C -ATOM 22261 CG1 VAL D 163 -41.992 41.321 -15.786 1.00 1.00 C -ATOM 22262 CG2 VAL D 163 -43.080 43.599 -15.690 1.00 1.00 C -ATOM 22265 N ILE D 164 -39.472 41.732 -17.867 1.00 1.00 N -ATOM 22266 CA ILE D 164 -38.712 40.592 -18.351 1.00 1.00 C -ATOM 22271 C ILE D 164 -38.870 39.398 -17.409 1.00 1.00 C -ATOM 22272 O ILE D 164 -38.523 39.465 -16.238 1.00 1.00 O -ATOM 22267 CB ILE D 164 -37.226 40.940 -18.504 1.00 1.00 C -ATOM 22268 CG1 ILE D 164 -37.071 42.183 -19.380 1.00 1.00 C -ATOM 22270 CG2 ILE D 164 -36.474 39.763 -19.080 1.00 1.00 C -ATOM 22269 CD1 ILE D 164 -37.666 42.036 -20.772 1.00 1.00 C -ATOM 22273 N ILE D 165 -39.400 38.305 -17.933 1.00 1.00 N -ATOM 22274 CA ILE D 165 -39.581 37.102 -17.151 1.00 1.00 C -ATOM 22279 C ILE D 165 -38.602 36.009 -17.599 1.00 1.00 C -ATOM 22280 O ILE D 165 -38.604 35.610 -18.750 1.00 1.00 O -ATOM 22275 CB ILE D 165 -41.023 36.580 -17.297 1.00 1.00 C -ATOM 22276 CG1 ILE D 165 -42.029 37.704 -17.035 1.00 1.00 C -ATOM 22278 CG2 ILE D 165 -41.275 35.387 -16.372 1.00 1.00 C -ATOM 22277 CD1 ILE D 165 -42.452 38.477 -18.258 1.00 1.00 C -ATOM 22281 N ALA D 166 -37.772 35.528 -16.681 1.00 1.00 N -ATOM 22282 CA ALA D 166 -36.905 34.397 -16.953 1.00 1.00 C -ATOM 22284 C ALA D 166 -37.506 33.155 -16.313 1.00 1.00 C -ATOM 22285 O ALA D 166 -37.711 33.131 -15.105 1.00 1.00 O -ATOM 22283 CB ALA D 166 -35.508 34.662 -16.392 1.00 1.00 C -ATOM 22286 N ASP D 167 -37.778 32.116 -17.102 1.00 1.00 N -ATOM 22287 CA ASP D 167 -38.434 30.926 -16.548 1.00 1.00 C -ATOM 22292 C ASP D 167 -37.508 29.771 -16.178 1.00 1.00 C -ATOM 22293 O ASP D 167 -36.314 29.781 -16.505 1.00 1.00 O -ATOM 22288 CB ASP D 167 -39.599 30.438 -17.430 1.00 1.00 C -ATOM 22289 CG ASP D 167 -39.154 29.600 -18.627 1.00 1.00 C -ATOM 22290 OD1 ASP D 167 -38.011 29.076 -18.661 1.00 1.00 O -ATOM 22291 OD2 ASP D 167 -39.991 29.455 -19.545 1.00 1.00 O -ATOM 22294 N LYS D 168 -38.098 28.788 -15.496 1.00 1.00 N -ATOM 22295 CA LYS D 168 -37.430 27.569 -15.035 1.00 1.00 C -ATOM 22301 C LYS D 168 -36.695 26.785 -16.142 1.00 1.00 C -ATOM 22302 O LYS D 168 -35.652 26.168 -15.889 1.00 1.00 O -ATOM 22296 CB LYS D 168 -38.473 26.666 -14.357 1.00 1.00 C -ATOM 22297 CG LYS D 168 -37.917 25.453 -13.607 1.00 1.00 C -ATOM 22298 CD LYS D 168 -39.020 24.766 -12.779 1.00 1.00 C -ATOM 22299 CE LYS D 168 -38.572 23.419 -12.204 1.00 1.00 C -ATOM 22300 NZ LYS D 168 -38.347 22.392 -13.268 1.00 1.00 N -ATOM 22303 N PHE D 169 -37.235 26.801 -17.360 1.00 1.00 N -ATOM 22304 CA PHE D 169 -36.656 26.007 -18.447 1.00 1.00 C -ATOM 22312 C PHE D 169 -35.604 26.730 -19.280 1.00 1.00 C -ATOM 22313 O PHE D 169 -35.008 26.135 -20.162 1.00 1.00 O -ATOM 22305 CB PHE D 169 -37.744 25.432 -19.356 1.00 1.00 C -ATOM 22306 CG PHE D 169 -38.292 24.115 -18.878 1.00 1.00 C -ATOM 22307 CD1 PHE D 169 -38.768 23.974 -17.571 1.00 1.00 C -ATOM 22311 CD2 PHE D 169 -38.343 23.021 -19.728 1.00 1.00 C -ATOM 22308 CE1 PHE D 169 -39.276 22.759 -17.121 1.00 1.00 C -ATOM 22310 CE2 PHE D 169 -38.852 21.803 -19.287 1.00 1.00 C -ATOM 22309 CZ PHE D 169 -39.321 21.674 -17.981 1.00 1.00 C -ATOM 22314 N GLY D 170 -35.387 28.011 -19.010 1.00 1.00 N -ATOM 22315 CA GLY D 170 -34.315 28.737 -19.662 1.00 1.00 C -ATOM 22316 C GLY D 170 -34.722 29.736 -20.733 1.00 1.00 C -ATOM 22317 O GLY D 170 -33.861 30.337 -21.374 1.00 1.00 O -ATOM 22318 N ASP D 171 -36.022 29.912 -20.941 1.00 1.00 N -ATOM 22319 CA ASP D 171 -36.517 30.928 -21.866 1.00 1.00 C -ATOM 22324 C ASP D 171 -36.768 32.247 -21.146 1.00 1.00 C -ATOM 22325 O ASP D 171 -37.021 32.282 -19.938 1.00 1.00 O -ATOM 22320 CB ASP D 171 -37.816 30.471 -22.528 1.00 1.00 C -ATOM 22321 CG ASP D 171 -37.638 29.209 -23.346 1.00 1.00 C -ATOM 22322 OD1 ASP D 171 -36.716 29.172 -24.204 1.00 1.00 O -ATOM 22323 OD2 ASP D 171 -38.420 28.260 -23.135 1.00 1.00 O -ATOM 22326 N VAL D 172 -36.706 33.337 -21.895 1.00 1.00 N -ATOM 22327 CA VAL D 172 -36.972 34.652 -21.340 1.00 1.00 C -ATOM 22331 C VAL D 172 -38.082 35.294 -22.153 1.00 1.00 C -ATOM 22332 O VAL D 172 -38.008 35.341 -23.376 1.00 1.00 O -ATOM 22328 CB VAL D 172 -35.716 35.541 -21.408 1.00 1.00 C -ATOM 22329 CG1 VAL D 172 -36.037 36.928 -20.908 1.00 1.00 C -ATOM 22330 CG2 VAL D 172 -34.568 34.921 -20.617 1.00 1.00 C -ATOM 22333 N TYR D 173 -39.123 35.777 -21.490 1.00 1.00 N -ATOM 22334 CA TYR D 173 -40.193 36.467 -22.204 1.00 1.00 C -ATOM 22343 C TYR D 173 -40.276 37.908 -21.772 1.00 1.00 C -ATOM 22344 O TYR D 173 -39.691 38.308 -20.768 1.00 1.00 O -ATOM 22335 CB TYR D 173 -41.544 35.782 -22.001 1.00 1.00 C -ATOM 22336 CG TYR D 173 -41.531 34.299 -22.319 1.00 1.00 C -ATOM 22337 CD1 TYR D 173 -41.110 33.373 -21.376 1.00 1.00 C -ATOM 22342 CD2 TYR D 173 -41.932 33.831 -23.558 1.00 1.00 C -ATOM 22338 CE1 TYR D 173 -41.093 32.040 -21.649 1.00 1.00 C -ATOM 22341 CE2 TYR D 173 -41.913 32.485 -23.849 1.00 1.00 C -ATOM 22339 CZ TYR D 173 -41.496 31.589 -22.888 1.00 1.00 C -ATOM 22340 OH TYR D 173 -41.467 30.232 -23.171 1.00 1.00 O -ATOM 22345 N SER D 174 -40.980 38.703 -22.558 1.00 1.00 N -ATOM 22346 CA SER D 174 -41.337 40.039 -22.122 1.00 1.00 C -ATOM 22349 C SER D 174 -42.862 40.153 -22.134 1.00 1.00 C -ATOM 22350 O SER D 174 -43.550 39.517 -22.937 1.00 1.00 O -ATOM 22347 CB SER D 174 -40.685 41.102 -22.996 1.00 1.00 C -ATOM 22348 OG SER D 174 -41.167 41.034 -24.328 1.00 1.00 O -ATOM 22351 N ILE D 175 -43.384 40.939 -21.207 1.00 1.00 N -ATOM 22352 CA ILE D 175 -44.813 41.111 -21.043 1.00 1.00 C -ATOM 22357 C ILE D 175 -45.047 42.594 -20.885 1.00 1.00 C -ATOM 22358 O ILE D 175 -44.293 43.264 -20.175 1.00 1.00 O -ATOM 22353 CB ILE D 175 -45.286 40.433 -19.760 1.00 1.00 C -ATOM 22354 CG1 ILE D 175 -45.565 38.951 -20.012 1.00 1.00 C -ATOM 22356 CG2 ILE D 175 -46.516 41.133 -19.217 1.00 1.00 C -ATOM 22355 CD1 ILE D 175 -46.770 38.699 -20.890 1.00 1.00 C -ATOM 22359 N ASP D 176 -46.061 43.124 -21.561 1.00 1.00 N -ATOM 22360 CA ASP D 176 -46.465 44.490 -21.283 1.00 1.00 C -ATOM 22365 C ASP D 176 -47.551 44.432 -20.229 1.00 1.00 C -ATOM 22366 O ASP D 176 -48.621 43.855 -20.453 1.00 1.00 O -ATOM 22361 CB ASP D 176 -47.005 45.202 -22.510 1.00 1.00 C -ATOM 22362 CG ASP D 176 -47.613 46.557 -22.160 1.00 1.00 C -ATOM 22363 OD1 ASP D 176 -47.049 47.245 -21.280 1.00 1.00 O -ATOM 22364 OD2 ASP D 176 -48.659 46.926 -22.743 1.00 1.00 O -ATOM 22367 N ILE D 177 -47.289 45.030 -19.076 1.00 1.00 N -ATOM 22368 CA ILE D 177 -48.214 44.872 -17.971 1.00 1.00 C -ATOM 22373 C ILE D 177 -49.514 45.656 -18.177 1.00 1.00 C -ATOM 22374 O ILE D 177 -50.507 45.408 -17.499 1.00 1.00 O -ATOM 22369 CB ILE D 177 -47.550 45.204 -16.630 1.00 1.00 C -ATOM 22370 CG1 ILE D 177 -47.273 46.700 -16.510 1.00 1.00 C -ATOM 22372 CG2 ILE D 177 -46.253 44.420 -16.491 1.00 1.00 C -ATOM 22371 CD1 ILE D 177 -46.595 47.042 -15.215 1.00 1.00 C -ATOM 22375 N ASN D 178 -49.515 46.582 -19.128 1.00 1.00 N -ATOM 22376 CA ASN D 178 -50.749 47.272 -19.491 1.00 1.00 C -ATOM 22381 C ASN D 178 -51.674 46.405 -20.340 1.00 1.00 C -ATOM 22382 O ASN D 178 -52.887 46.587 -20.332 1.00 1.00 O -ATOM 22377 CB ASN D 178 -50.440 48.583 -20.208 1.00 1.00 C -ATOM 22378 CG ASN D 178 -49.932 49.642 -19.263 1.00 1.00 C -ATOM 22380 ND2 ASN D 178 -49.064 50.528 -19.754 1.00 1.00 N -ATOM 22379 OD1 ASN D 178 -50.309 49.659 -18.096 1.00 1.00 O -ATOM 22383 N SER D 179 -51.095 45.455 -21.066 1.00 1.00 N -ATOM 22384 CA SER D 179 -51.867 44.619 -21.975 1.00 1.00 C -ATOM 22387 C SER D 179 -52.874 43.752 -21.220 1.00 1.00 C -ATOM 22388 O SER D 179 -52.797 43.596 -19.998 1.00 1.00 O -ATOM 22385 CB SER D 179 -50.935 43.744 -22.816 1.00 1.00 C -ATOM 22386 OG SER D 179 -50.509 42.617 -22.069 1.00 1.00 O -ATOM 22389 N ILE D 180 -53.823 43.189 -21.956 1.00 1.00 N -ATOM 22390 CA ILE D 180 -54.833 42.328 -21.354 1.00 1.00 C -ATOM 22395 C ILE D 180 -54.343 40.897 -21.374 1.00 1.00 C -ATOM 22396 O ILE D 180 -54.089 40.340 -22.444 1.00 1.00 O -ATOM 22391 CB ILE D 180 -56.166 42.404 -22.111 1.00 1.00 C -ATOM 22392 CG1 ILE D 180 -56.678 43.849 -22.138 1.00 1.00 C -ATOM 22394 CG2 ILE D 180 -57.186 41.468 -21.482 1.00 1.00 C -ATOM 22393 CD1 ILE D 180 -57.628 44.137 -23.279 1.00 1.00 C -ATOM 22397 N PRO D 181 -54.195 40.302 -20.182 1.00 1.00 N -ATOM 22398 CA PRO D 181 -53.709 38.925 -20.018 1.00 1.00 C -ATOM 22402 C PRO D 181 -54.342 37.945 -21.012 1.00 1.00 C -ATOM 22403 O PRO D 181 -55.533 37.644 -20.899 1.00 1.00 O -ATOM 22399 CB PRO D 181 -54.119 38.585 -18.580 1.00 1.00 C -ATOM 22400 CG PRO D 181 -54.050 39.913 -17.871 1.00 1.00 C -ATOM 22401 CD PRO D 181 -54.467 40.959 -18.888 1.00 1.00 C -ATOM 22404 N GLU D 182 -53.556 37.467 -21.978 1.00 1.00 N -ATOM 22405 CA GLU D 182 -54.046 36.476 -22.934 1.00 1.00 C -ATOM 22411 C GLU D 182 -54.293 35.152 -22.228 1.00 1.00 C -ATOM 22412 O GLU D 182 -53.416 34.640 -21.524 1.00 1.00 O -ATOM 22406 CB GLU D 182 -53.051 36.290 -24.077 1.00 1.00 C -ATOM 22407 CG GLU D 182 -52.918 37.508 -24.979 1.00 1.00 C -ATOM 22408 CD GLU D 182 -51.863 37.327 -26.063 1.00 1.00 C -ATOM 22409 OE1 GLU D 182 -50.963 36.474 -25.890 1.00 1.00 O -ATOM 22410 OE2 GLU D 182 -51.932 38.043 -27.088 1.00 1.00 O -ATOM 22413 N GLU D 183 -55.491 34.604 -22.417 1.00 1.00 N -ATOM 22414 CA GLU D 183 -55.908 33.395 -21.706 1.00 1.00 C -ATOM 22420 C GLU D 183 -54.987 32.207 -21.949 1.00 1.00 C -ATOM 22421 O GLU D 183 -54.636 31.477 -21.013 1.00 1.00 O -ATOM 22415 CB GLU D 183 -57.338 33.020 -22.079 1.00 1.00 C -ATOM 22416 CG GLU D 183 -58.379 33.983 -21.550 1.00 1.00 C -ATOM 22417 CD GLU D 183 -59.652 33.272 -21.128 1.00 1.00 C -ATOM 22418 OE1 GLU D 183 -59.570 32.110 -20.661 1.00 1.00 O -ATOM 22419 OE2 GLU D 183 -60.732 33.878 -21.264 1.00 1.00 O -ATOM 22422 N LYS D 184 -54.617 32.010 -23.211 1.00 1.00 N -ATOM 22423 CA LYS D 184 -53.652 30.984 -23.571 1.00 1.00 C -ATOM 22429 C LYS D 184 -52.390 31.716 -24.029 1.00 1.00 C -ATOM 22430 O LYS D 184 -52.453 32.567 -24.929 1.00 1.00 O -ATOM 22424 CB LYS D 184 -54.214 30.082 -24.679 1.00 1.00 C -ATOM 22425 CG LYS D 184 -55.672 29.642 -24.501 1.00 1.00 C -ATOM 22426 CD LYS D 184 -55.802 28.312 -23.760 1.00 1.00 C -ATOM 22427 CE LYS D 184 -57.246 27.798 -23.792 1.00 1.00 C -ATOM 22428 NZ LYS D 184 -57.439 26.563 -22.972 1.00 1.00 N -ATOM 22431 N PHE D 185 -51.252 31.406 -23.405 1.00 1.00 N -ATOM 22432 CA PHE D 185 -50.037 32.177 -23.657 1.00 1.00 C -ATOM 22440 C PHE D 185 -49.482 31.984 -25.066 1.00 1.00 C -ATOM 22441 O PHE D 185 -49.143 30.866 -25.462 1.00 1.00 O -ATOM 22433 CB PHE D 185 -48.953 31.908 -22.608 1.00 1.00 C -ATOM 22434 CG PHE D 185 -47.774 32.843 -22.724 1.00 1.00 C -ATOM 22435 CD1 PHE D 185 -47.969 34.225 -22.721 1.00 1.00 C -ATOM 22439 CD2 PHE D 185 -46.481 32.351 -22.865 1.00 1.00 C -ATOM 22436 CE1 PHE D 185 -46.895 35.100 -22.837 1.00 1.00 C -ATOM 22438 CE2 PHE D 185 -45.403 33.219 -22.986 1.00 1.00 C -ATOM 22437 CZ PHE D 185 -45.611 34.595 -22.968 1.00 1.00 C -ATOM 22442 N THR D 186 -49.378 33.085 -25.809 1.00 1.00 N -ATOM 22443 CA THR D 186 -48.966 33.023 -27.205 1.00 1.00 C -ATOM 22447 C THR D 186 -47.932 34.069 -27.595 1.00 1.00 C -ATOM 22448 O THR D 186 -48.255 35.057 -28.261 1.00 1.00 O -ATOM 22444 CB THR D 186 -50.165 33.180 -28.142 1.00 1.00 C -ATOM 22446 CG2 THR D 186 -50.901 31.863 -28.287 1.00 1.00 C -ATOM 22445 OG1 THR D 186 -51.053 34.166 -27.604 1.00 1.00 O -ATOM 22449 N GLN D 187 -46.692 33.848 -27.174 1.00 1.00 N -ATOM 22450 CA GLN D 187 -45.555 34.573 -27.734 1.00 1.00 C -ATOM 22456 C GLN D 187 -44.261 33.802 -27.513 1.00 1.00 C -ATOM 22457 O GLN D 187 -44.098 33.131 -26.491 1.00 1.00 O -ATOM 22451 CB GLN D 187 -45.447 35.991 -27.173 1.00 1.00 C -ATOM 22452 CG GLN D 187 -45.863 36.134 -25.725 1.00 1.00 C -ATOM 22453 CD GLN D 187 -45.278 37.380 -25.077 1.00 1.00 C -ATOM 22455 NE2 GLN D 187 -46.145 38.312 -24.691 1.00 1.00 N -ATOM 22454 OE1 GLN D 187 -44.058 37.503 -24.932 1.00 1.00 O -ATOM 22458 N GLU D 188 -43.359 33.890 -28.489 1.00 1.00 N -ATOM 22459 CA GLU D 188 -42.076 33.195 -28.429 1.00 1.00 C -ATOM 22465 C GLU D 188 -41.093 33.905 -27.492 1.00 1.00 C -ATOM 22466 O GLU D 188 -41.146 35.131 -27.343 1.00 1.00 O -ATOM 22460 CB GLU D 188 -41.459 33.077 -29.832 1.00 1.00 C -ATOM 22461 CG GLU D 188 -42.039 31.971 -30.736 1.00 1.00 C -ATOM 22462 CD GLU D 188 -41.157 31.675 -31.961 1.00 1.00 C -ATOM 22463 OE1 GLU D 188 -39.963 32.040 -31.934 1.00 1.00 O -ATOM 22464 OE2 GLU D 188 -41.649 31.078 -32.950 1.00 1.00 O -ATOM 22467 N PRO D 189 -40.185 33.133 -26.868 1.00 1.00 N -ATOM 22468 CA PRO D 189 -39.138 33.696 -26.008 1.00 1.00 C -ATOM 22472 C PRO D 189 -38.337 34.780 -26.729 1.00 1.00 C -ATOM 22473 O PRO D 189 -38.219 34.787 -27.952 1.00 1.00 O -ATOM 22469 CB PRO D 189 -38.235 32.498 -25.710 1.00 1.00 C -ATOM 22470 CG PRO D 189 -39.098 31.292 -25.934 1.00 1.00 C -ATOM 22471 CD PRO D 189 -40.081 31.668 -26.996 1.00 1.00 C -ATOM 22474 N ILE D 190 -37.785 35.694 -25.949 1.00 1.00 N -ATOM 22475 CA ILE D 190 -37.025 36.816 -26.463 1.00 1.00 C -ATOM 22480 C ILE D 190 -35.585 36.345 -26.612 1.00 1.00 C -ATOM 22481 O ILE D 190 -34.873 36.767 -27.516 1.00 1.00 O -ATOM 22476 CB ILE D 190 -37.137 38.007 -25.468 1.00 1.00 C -ATOM 22477 CG1 ILE D 190 -37.525 39.297 -26.163 1.00 1.00 C -ATOM 22479 CG2 ILE D 190 -35.875 38.188 -24.631 1.00 1.00 C -ATOM 22478 CD1 ILE D 190 -37.675 40.435 -25.170 1.00 1.00 C -ATOM 22482 N LEU D 191 -35.170 35.468 -25.699 1.00 1.00 N -ATOM 22483 CA LEU D 191 -33.932 34.703 -25.835 1.00 1.00 C -ATOM 22488 C LEU D 191 -34.015 33.468 -24.929 1.00 1.00 C -ATOM 22489 O LEU D 191 -35.042 33.247 -24.288 1.00 1.00 O -ATOM 22484 CB LEU D 191 -32.675 35.563 -25.597 1.00 1.00 C -ATOM 22485 CG LEU D 191 -32.093 36.107 -24.286 1.00 1.00 C -ATOM 22486 CD1 LEU D 191 -32.685 37.478 -23.913 1.00 1.00 C -ATOM 22487 CD2 LEU D 191 -32.170 35.131 -23.121 1.00 1.00 C -ATOM 22490 N GLY D 192 -32.964 32.657 -24.890 1.00 1.00 N -ATOM 22491 CA GLY D 192 -33.012 31.401 -24.163 1.00 1.00 C -ATOM 22492 C GLY D 192 -31.644 30.790 -23.900 1.00 1.00 C -ATOM 22493 O GLY D 192 -30.651 31.099 -24.583 1.00 1.00 O -ATOM 22494 N HIS D 193 -31.603 29.946 -22.871 1.00 1.00 N -ATOM 22495 CA HIS D 193 -30.473 29.078 -22.565 1.00 1.00 C -ATOM 22502 C HIS D 193 -31.047 27.652 -22.591 1.00 1.00 C -ATOM 22503 O HIS D 193 -32.262 27.453 -22.551 1.00 1.00 O -ATOM 22496 CB HIS D 193 -29.923 29.331 -21.153 1.00 1.00 C -ATOM 22497 CG HIS D 193 -29.358 30.701 -20.919 1.00 1.00 C -ATOM 22501 CD2 HIS D 193 -29.767 31.928 -21.323 1.00 1.00 C -ATOM 22498 ND1 HIS D 193 -28.242 30.909 -20.136 1.00 1.00 N -ATOM 22499 CE1 HIS D 193 -27.979 32.203 -20.076 1.00 1.00 C -ATOM 22500 NE2 HIS D 193 -28.888 32.842 -20.789 1.00 1.00 N -ATOM 22504 N VAL D 194 -30.185 26.655 -22.658 1.00 1.00 N -ATOM 22505 CA VAL D 194 -30.641 25.287 -22.465 1.00 1.00 C -ATOM 22509 C VAL D 194 -30.103 24.902 -21.107 1.00 1.00 C -ATOM 22510 O VAL D 194 -29.085 24.225 -20.970 1.00 1.00 O -ATOM 22506 CB VAL D 194 -30.137 24.329 -23.555 1.00 1.00 C -ATOM 22507 CG1 VAL D 194 -30.500 22.894 -23.199 1.00 1.00 C -ATOM 22508 CG2 VAL D 194 -30.734 24.712 -24.899 1.00 1.00 C -ATOM 22511 N SER D 195 -30.792 25.378 -20.093 1.00 1.00 N -ATOM 22512 CA SER D 195 -30.271 25.359 -18.746 1.00 1.00 C -ATOM 22515 C SER D 195 -31.240 26.187 -17.918 1.00 1.00 C -ATOM 22516 O SER D 195 -31.891 27.099 -18.443 1.00 1.00 O -ATOM 22513 CB SER D 195 -28.867 25.971 -18.716 1.00 1.00 C -ATOM 22514 OG SER D 195 -28.268 25.855 -17.436 1.00 1.00 O -ATOM 22517 N MET D 196 -31.365 25.852 -16.639 1.00 1.00 N -ATOM 22518 CA MET D 196 -32.216 26.630 -15.760 1.00 1.00 C -ATOM 22523 C MET D 196 -31.648 28.037 -15.556 1.00 1.00 C -ATOM 22524 O MET D 196 -30.484 28.213 -15.179 1.00 1.00 O -ATOM 22519 CB MET D 196 -32.396 25.927 -14.418 1.00 1.00 C -ATOM 22520 CG MET D 196 -33.440 26.580 -13.510 1.00 1.00 C -ATOM 22521 SD MET D 196 -33.770 25.598 -12.021 1.00 1.00 S -ATOM 22522 CE MET D 196 -34.103 23.984 -12.743 1.00 1.00 C -ATOM 22525 N LEU D 197 -32.486 29.027 -15.829 1.00 1.00 N -ATOM 22526 CA LEU D 197 -32.159 30.428 -15.623 1.00 1.00 C -ATOM 22531 C LEU D 197 -32.272 30.835 -14.153 1.00 1.00 C -ATOM 22532 O LEU D 197 -33.242 30.516 -13.459 1.00 1.00 O -ATOM 22527 CB LEU D 197 -33.085 31.300 -16.467 1.00 1.00 C -ATOM 22528 CG LEU D 197 -32.534 31.853 -17.782 1.00 1.00 C -ATOM 22529 CD1 LEU D 197 -31.461 30.949 -18.369 1.00 1.00 C -ATOM 22530 CD2 LEU D 197 -33.658 32.073 -18.769 1.00 1.00 C -ATOM 22533 N THR D 198 -31.285 31.595 -13.705 1.00 1.00 N -ATOM 22534 CA THR D 198 -31.095 31.847 -12.291 1.00 1.00 C -ATOM 22538 C THR D 198 -31.314 33.319 -11.882 1.00 1.00 C -ATOM 22539 O THR D 198 -31.604 33.618 -10.736 1.00 1.00 O -ATOM 22535 CB THR D 198 -29.695 31.337 -11.900 1.00 1.00 C -ATOM 22537 CG2 THR D 198 -28.997 32.316 -11.015 1.00 1.00 C -ATOM 22536 OG1 THR D 198 -29.825 30.078 -11.218 1.00 1.00 O -ATOM 22540 N ASP D 199 -31.201 34.239 -12.827 1.00 1.00 N -ATOM 22541 CA ASP D 199 -31.338 35.661 -12.525 1.00 1.00 C -ATOM 22546 C ASP D 199 -31.428 36.464 -13.816 1.00 1.00 C -ATOM 22547 O ASP D 199 -30.806 36.110 -14.814 1.00 1.00 O -ATOM 22542 CB ASP D 199 -30.128 36.124 -11.725 1.00 1.00 C -ATOM 22543 CG ASP D 199 -30.454 37.253 -10.767 1.00 1.00 C -ATOM 22544 OD1 ASP D 199 -31.602 37.754 -10.800 1.00 1.00 O -ATOM 22545 OD2 ASP D 199 -29.558 37.639 -9.978 1.00 1.00 O -ATOM 22548 N VAL D 200 -32.226 37.522 -13.814 1.00 1.00 N -ATOM 22549 CA VAL D 200 -32.243 38.470 -14.929 1.00 1.00 C -ATOM 22553 C VAL D 200 -32.072 39.890 -14.456 1.00 1.00 C -ATOM 22554 O VAL D 200 -32.647 40.277 -13.469 1.00 1.00 O -ATOM 22550 CB VAL D 200 -33.573 38.486 -15.725 1.00 1.00 C -ATOM 22551 CG1 VAL D 200 -33.345 38.029 -17.147 1.00 1.00 C -ATOM 22552 CG2 VAL D 200 -34.689 37.733 -15.005 1.00 1.00 C -ATOM 22555 N HIS D 201 -31.319 40.676 -15.206 1.00 1.00 N -ATOM 22556 CA HIS D 201 -31.219 42.095 -14.942 1.00 1.00 C -ATOM 22563 C HIS D 201 -31.203 42.858 -16.257 1.00 1.00 C -ATOM 22564 O HIS D 201 -30.453 42.532 -17.172 1.00 1.00 O -ATOM 22557 CB HIS D 201 -29.962 42.401 -14.131 1.00 1.00 C -ATOM 22558 CG HIS D 201 -29.975 41.802 -12.761 1.00 1.00 C -ATOM 22562 CD2 HIS D 201 -29.420 40.665 -12.278 1.00 1.00 C -ATOM 22559 ND1 HIS D 201 -30.629 42.393 -11.701 1.00 1.00 N -ATOM 22560 CE1 HIS D 201 -30.466 41.650 -10.620 1.00 1.00 C -ATOM 22561 NE2 HIS D 201 -29.742 40.593 -10.943 1.00 1.00 N -ATOM 22565 N LEU D 202 -32.083 43.839 -16.365 1.00 1.00 N -ATOM 22566 CA LEU D 202 -31.999 44.809 -17.434 1.00 1.00 C -ATOM 22571 C LEU D 202 -30.978 45.833 -17.019 1.00 1.00 C -ATOM 22572 O LEU D 202 -30.730 46.022 -15.842 1.00 1.00 O -ATOM 22567 CB LEU D 202 -33.350 45.449 -17.706 1.00 1.00 C -ATOM 22568 CG LEU D 202 -34.031 44.688 -18.843 1.00 1.00 C -ATOM 22569 CD1 LEU D 202 -35.495 45.057 -18.933 1.00 1.00 C -ATOM 22570 CD2 LEU D 202 -33.297 44.950 -20.192 1.00 1.00 C -ATOM 22573 N ILE D 203 -30.353 46.477 -17.985 1.00 1.00 N -ATOM 22574 CA ILE D 203 -29.157 47.231 -17.681 1.00 1.00 C -ATOM 22579 C ILE D 203 -28.837 48.154 -18.845 1.00 1.00 C -ATOM 22580 O ILE D 203 -29.185 47.862 -19.984 1.00 1.00 O -ATOM 22575 CB ILE D 203 -27.986 46.260 -17.368 1.00 1.00 C -ATOM 22576 CG1 ILE D 203 -27.749 46.169 -15.859 1.00 1.00 C -ATOM 22578 CG2 ILE D 203 -26.732 46.686 -18.042 1.00 1.00 C -ATOM 22577 CD1 ILE D 203 -27.406 47.499 -15.211 1.00 1.00 C -ATOM 22581 N LYS D 204 -28.200 49.283 -18.551 1.00 1.00 N -ATOM 22582 CA LYS D 204 -27.921 50.300 -19.551 1.00 1.00 C -ATOM 22588 C LYS D 204 -26.459 50.695 -19.484 1.00 1.00 C -ATOM 22589 O LYS D 204 -25.893 50.785 -18.393 1.00 1.00 O -ATOM 22583 CB LYS D 204 -28.804 51.533 -19.326 1.00 1.00 C -ATOM 22584 CG LYS D 204 -30.232 51.377 -19.822 1.00 1.00 C -ATOM 22585 CD LYS D 204 -30.956 52.721 -19.920 1.00 1.00 C -ATOM 22586 CE LYS D 204 -32.201 52.617 -20.812 1.00 1.00 C -ATOM 22587 NZ LYS D 204 -33.045 53.846 -20.683 1.00 1.00 N -ATOM 22590 N ASP D 205 -25.860 50.947 -20.651 1.00 1.00 N -ATOM 22591 CA ASP D 205 -24.428 51.260 -20.754 1.00 1.00 C -ATOM 22596 C ASP D 205 -24.064 52.745 -20.913 1.00 1.00 C -ATOM 22597 O ASP D 205 -22.941 53.052 -21.301 1.00 1.00 O -ATOM 22592 CB ASP D 205 -23.800 50.513 -21.935 1.00 1.00 C -ATOM 22593 CG ASP D 205 -24.089 51.189 -23.285 1.00 1.00 C -ATOM 22594 OD1 ASP D 205 -25.020 52.026 -23.369 1.00 1.00 O -ATOM 22595 OD2 ASP D 205 -23.386 50.873 -24.274 1.00 1.00 O -ATOM 22598 N SER D 206 -24.996 53.657 -20.664 1.00 1.00 N -ATOM 22599 CA SER D 206 -24.707 55.099 -20.775 1.00 1.00 C -ATOM 22602 C SER D 206 -24.632 55.610 -22.217 1.00 1.00 C -ATOM 22603 O SER D 206 -23.852 56.499 -22.535 1.00 1.00 O -ATOM 22600 CB SER D 206 -23.439 55.504 -19.997 1.00 1.00 C -ATOM 22601 OG SER D 206 -22.273 55.468 -20.813 1.00 1.00 O -ATOM 22604 N ASP D 207 -25.440 55.017 -23.083 1.00 1.00 N -ATOM 22605 CA ASP D 207 -25.757 55.587 -24.380 1.00 1.00 C -ATOM 22610 C ASP D 207 -27.236 55.318 -24.513 1.00 1.00 C -ATOM 22611 O ASP D 207 -27.837 55.473 -25.577 1.00 1.00 O -ATOM 22606 CB ASP D 207 -24.988 54.893 -25.504 1.00 1.00 C -ATOM 22607 CG ASP D 207 -23.526 55.306 -25.558 1.00 1.00 C -ATOM 22608 OD1 ASP D 207 -22.673 54.433 -25.838 1.00 1.00 O -ATOM 22609 OD2 ASP D 207 -23.228 56.501 -25.325 1.00 1.00 O -ATOM 22612 N GLY D 208 -27.810 54.896 -23.393 1.00 1.00 N -ATOM 22613 CA GLY D 208 -29.188 54.465 -23.349 1.00 1.00 C -ATOM 22614 C GLY D 208 -29.295 53.067 -23.903 1.00 1.00 C -ATOM 22615 O GLY D 208 -30.397 52.529 -23.980 1.00 1.00 O -ATOM 22616 N HIS D 209 -28.159 52.479 -24.291 1.00 1.00 N -ATOM 22617 CA HIS D 209 -28.147 51.106 -24.810 1.00 1.00 C -ATOM 22624 C HIS D 209 -28.465 50.060 -23.744 1.00 1.00 C -ATOM 22625 O HIS D 209 -27.765 49.953 -22.731 1.00 1.00 O -ATOM 22618 CB HIS D 209 -26.807 50.772 -25.457 1.00 1.00 C -ATOM 22619 CG HIS D 209 -26.550 51.514 -26.725 1.00 1.00 C -ATOM 22623 CD2 HIS D 209 -25.433 52.123 -27.190 1.00 1.00 C -ATOM 22620 ND1 HIS D 209 -27.514 51.679 -27.698 1.00 1.00 N -ATOM 22621 CE1 HIS D 209 -27.004 52.369 -28.703 1.00 1.00 C -ATOM 22622 NE2 HIS D 209 -25.744 52.650 -28.420 1.00 1.00 N -ATOM 22626 N GLN D 210 -29.513 49.281 -23.990 1.00 1.00 N -ATOM 22627 CA GLN D 210 -29.944 48.283 -23.023 1.00 1.00 C -ATOM 22633 C GLN D 210 -29.381 46.892 -23.275 1.00 1.00 C -ATOM 22634 O GLN D 210 -29.245 46.434 -24.422 1.00 1.00 O -ATOM 22628 CB GLN D 210 -31.465 48.186 -22.981 1.00 1.00 C -ATOM 22629 CG GLN D 210 -32.160 49.512 -22.876 1.00 1.00 C -ATOM 22630 CD GLN D 210 -33.649 49.334 -22.857 1.00 1.00 C -ATOM 22632 NE2 GLN D 210 -34.296 49.655 -23.977 1.00 1.00 N -ATOM 22631 OE1 GLN D 210 -34.218 48.895 -21.857 1.00 1.00 O -ATOM 22635 N PHE D 211 -29.085 46.229 -22.167 1.00 1.00 N -ATOM 22636 CA PHE D 211 -28.651 44.857 -22.157 1.00 1.00 C -ATOM 22644 C PHE D 211 -29.442 44.086 -21.104 1.00 1.00 C -ATOM 22645 O PHE D 211 -29.778 44.630 -20.040 1.00 1.00 O -ATOM 22637 CB PHE D 211 -27.170 44.810 -21.812 1.00 1.00 C -ATOM 22638 CG PHE D 211 -26.306 45.567 -22.780 1.00 1.00 C -ATOM 22639 CD1 PHE D 211 -26.099 46.919 -22.624 1.00 1.00 C -ATOM 22643 CD2 PHE D 211 -25.713 44.924 -23.854 1.00 1.00 C -ATOM 22640 CE1 PHE D 211 -25.309 47.627 -23.517 1.00 1.00 C -ATOM 22642 CE2 PHE D 211 -24.927 45.620 -24.745 1.00 1.00 C -ATOM 22641 CZ PHE D 211 -24.725 46.978 -24.578 1.00 1.00 C -ATOM 22646 N ILE D 212 -29.758 42.829 -21.401 1.00 1.00 N -ATOM 22647 CA ILE D 212 -30.230 41.939 -20.369 1.00 1.00 C -ATOM 22652 C ILE D 212 -29.154 40.924 -20.029 1.00 1.00 C -ATOM 22653 O ILE D 212 -28.534 40.328 -20.907 1.00 1.00 O -ATOM 22648 CB ILE D 212 -31.602 41.283 -20.677 1.00 1.00 C -ATOM 22649 CG1 ILE D 212 -31.597 39.823 -20.233 1.00 1.00 C -ATOM 22651 CG2 ILE D 212 -31.942 41.388 -22.139 1.00 1.00 C -ATOM 22650 CD1 ILE D 212 -32.880 39.106 -20.531 1.00 1.00 C -ATOM 22654 N ILE D 213 -28.912 40.776 -18.734 1.00 1.00 N -ATOM 22655 CA ILE D 213 -27.942 39.829 -18.227 1.00 1.00 C -ATOM 22660 C ILE D 213 -28.686 38.645 -17.632 1.00 1.00 C -ATOM 22661 O ILE D 213 -29.532 38.816 -16.763 1.00 1.00 O -ATOM 22656 CB ILE D 213 -27.102 40.448 -17.119 1.00 1.00 C -ATOM 22657 CG1 ILE D 213 -26.521 41.776 -17.567 1.00 1.00 C -ATOM 22659 CG2 ILE D 213 -25.984 39.519 -16.701 1.00 1.00 C -ATOM 22658 CD1 ILE D 213 -25.802 42.506 -16.450 1.00 1.00 C -ATOM 22662 N THR D 214 -28.393 37.454 -18.132 1.00 1.00 N -ATOM 22663 CA THR D 214 -28.966 36.224 -17.604 1.00 1.00 C -ATOM 22667 C THR D 214 -27.892 35.284 -17.072 1.00 1.00 C -ATOM 22668 O THR D 214 -26.836 35.119 -17.686 1.00 1.00 O -ATOM 22664 CB THR D 214 -29.814 35.477 -18.644 1.00 1.00 C -ATOM 22666 CG2 THR D 214 -31.198 36.107 -18.760 1.00 1.00 C -ATOM 22665 OG1 THR D 214 -29.149 35.489 -19.922 1.00 1.00 O -ATOM 22669 N SER D 215 -28.169 34.691 -15.914 1.00 1.00 N -ATOM 22670 CA SER D 215 -27.252 33.771 -15.266 1.00 1.00 C -ATOM 22673 C SER D 215 -27.869 32.383 -15.252 1.00 1.00 C -ATOM 22674 O SER D 215 -29.083 32.231 -15.439 1.00 1.00 O -ATOM 22671 CB SER D 215 -26.933 34.236 -13.855 1.00 1.00 C -ATOM 22672 OG SER D 215 -28.110 34.262 -13.057 1.00 1.00 O -ATOM 22675 N ASP D 216 -27.035 31.380 -14.989 1.00 1.00 N -ATOM 22676 CA ASP D 216 -27.305 30.022 -15.429 1.00 1.00 C -ATOM 22681 C ASP D 216 -27.027 29.021 -14.329 1.00 1.00 C -ATOM 22682 O ASP D 216 -26.114 29.233 -13.541 1.00 1.00 O -ATOM 22677 CB ASP D 216 -26.315 29.708 -16.573 1.00 1.00 C -ATOM 22678 CG ASP D 216 -26.949 28.959 -17.684 1.00 1.00 C -ATOM 22679 OD1 ASP D 216 -27.943 28.270 -17.409 1.00 1.00 O -ATOM 22680 OD2 ASP D 216 -26.500 29.088 -18.835 1.00 1.00 O -ATOM 22683 N ARG D 217 -27.746 27.900 -14.318 1.00 1.00 N -ATOM 22684 CA ARG D 217 -27.329 26.762 -13.503 1.00 1.00 C -ATOM 22692 C ARG D 217 -26.019 26.122 -13.994 1.00 1.00 C -ATOM 22693 O ARG D 217 -25.349 25.408 -13.241 1.00 1.00 O -ATOM 22685 CB ARG D 217 -28.426 25.711 -13.484 1.00 1.00 C -ATOM 22686 CG ARG D 217 -28.877 25.368 -12.113 1.00 1.00 C -ATOM 22687 CD ARG D 217 -29.679 24.095 -12.111 1.00 1.00 C -ATOM 22688 NE ARG D 217 -28.825 22.915 -12.138 1.00 1.00 N -ATOM 22689 CZ ARG D 217 -29.244 21.692 -11.830 1.00 1.00 C -ATOM 22690 NH1 ARG D 217 -30.510 21.499 -11.472 1.00 1.00 N -ATOM 22691 NH2 ARG D 217 -28.400 20.667 -11.878 1.00 1.00 N -ATOM 22694 N ASP D 218 -25.660 26.374 -15.254 1.00 1.00 N -ATOM 22695 CA ASP D 218 -24.437 25.808 -15.830 1.00 1.00 C -ATOM 22700 C ASP D 218 -23.273 26.800 -15.874 1.00 1.00 C -ATOM 22701 O ASP D 218 -22.430 26.753 -16.770 1.00 1.00 O -ATOM 22696 CB ASP D 218 -24.732 25.231 -17.210 1.00 1.00 C -ATOM 22697 CG ASP D 218 -25.367 23.856 -17.134 1.00 1.00 C -ATOM 22698 OD1 ASP D 218 -26.493 23.688 -17.657 1.00 1.00 O -ATOM 22699 OD2 ASP D 218 -24.736 22.950 -16.535 1.00 1.00 O -ATOM 22702 N GLU D 219 -23.253 27.703 -14.901 1.00 1.00 N -ATOM 22703 CA GLU D 219 -22.144 28.628 -14.652 1.00 1.00 C -ATOM 22709 C GLU D 219 -22.048 29.806 -15.605 1.00 1.00 C -ATOM 22710 O GLU D 219 -21.105 30.601 -15.520 1.00 1.00 O -ATOM 22704 CB GLU D 219 -20.803 27.888 -14.563 1.00 1.00 C -ATOM 22705 CG GLU D 219 -20.855 26.574 -13.772 1.00 1.00 C -ATOM 22706 CD GLU D 219 -20.736 25.347 -14.682 1.00 1.00 C -ATOM 22707 OE1 GLU D 219 -21.632 24.465 -14.601 1.00 1.00 O -ATOM 22708 OE2 GLU D 219 -19.758 25.287 -15.488 1.00 1.00 O -ATOM 22711 N HIS D 220 -23.033 29.942 -16.486 1.00 1.00 N -ATOM 22712 CA HIS D 220 -22.964 30.993 -17.505 1.00 1.00 C -ATOM 22719 C HIS D 220 -23.541 32.316 -17.041 1.00 1.00 C -ATOM 22720 O HIS D 220 -24.529 32.358 -16.309 1.00 1.00 O -ATOM 22713 CB HIS D 220 -23.657 30.570 -18.805 1.00 1.00 C -ATOM 22714 CG HIS D 220 -23.042 29.372 -19.458 1.00 1.00 C -ATOM 22718 CD2 HIS D 220 -21.788 29.154 -19.924 1.00 1.00 C -ATOM 22715 ND1 HIS D 220 -23.747 28.213 -19.695 1.00 1.00 N -ATOM 22716 CE1 HIS D 220 -22.956 27.333 -20.284 1.00 1.00 C -ATOM 22717 NE2 HIS D 220 -21.761 27.879 -20.432 1.00 1.00 N -ATOM 22721 N ILE D 221 -22.900 33.394 -17.473 1.00 1.00 N -ATOM 22722 CA ILE D 221 -23.453 34.727 -17.357 1.00 1.00 C -ATOM 22727 C ILE D 221 -23.423 35.294 -18.764 1.00 1.00 C -ATOM 22728 O ILE D 221 -22.360 35.515 -19.339 1.00 1.00 O -ATOM 22723 CB ILE D 221 -22.655 35.607 -16.398 1.00 1.00 C -ATOM 22724 CG1 ILE D 221 -22.728 35.032 -14.984 1.00 1.00 C -ATOM 22726 CG2 ILE D 221 -23.218 36.998 -16.396 1.00 1.00 C -ATOM 22725 CD1 ILE D 221 -21.778 35.696 -13.996 1.00 1.00 C -ATOM 22729 N LYS D 222 -24.608 35.485 -19.326 1.00 1.00 N -ATOM 22730 CA LYS D 222 -24.762 35.908 -20.706 1.00 1.00 C -ATOM 22736 C LYS D 222 -25.198 37.359 -20.739 1.00 1.00 C -ATOM 22737 O LYS D 222 -26.062 37.757 -19.968 1.00 1.00 O -ATOM 22731 CB LYS D 222 -25.815 35.024 -21.387 1.00 1.00 C -ATOM 22732 CG LYS D 222 -26.359 35.579 -22.683 1.00 1.00 C -ATOM 22733 CD LYS D 222 -26.527 34.488 -23.721 1.00 1.00 C -ATOM 22734 CE LYS D 222 -27.876 33.835 -23.603 1.00 1.00 C -ATOM 22735 NZ LYS D 222 -27.920 32.534 -24.304 1.00 1.00 N -ATOM 22738 N ILE D 223 -24.582 38.158 -21.608 1.00 1.00 N -ATOM 22739 CA ILE D 223 -25.003 39.533 -21.792 1.00 1.00 C -ATOM 22744 C ILE D 223 -25.548 39.727 -23.200 1.00 1.00 C -ATOM 22745 O ILE D 223 -24.793 39.626 -24.157 1.00 1.00 O -ATOM 22740 CB ILE D 223 -23.843 40.509 -21.564 1.00 1.00 C -ATOM 22741 CG1 ILE D 223 -23.187 40.241 -20.214 1.00 1.00 C -ATOM 22743 CG2 ILE D 223 -24.330 41.964 -21.630 1.00 1.00 C -ATOM 22742 CD1 ILE D 223 -22.148 41.247 -19.857 1.00 1.00 C -ATOM 22746 N SER D 224 -26.850 40.007 -23.313 1.00 1.00 N -ATOM 22747 CA SER D 224 -27.503 40.191 -24.605 1.00 1.00 C -ATOM 22750 C SER D 224 -27.991 41.612 -24.826 1.00 1.00 C -ATOM 22751 O SER D 224 -28.367 42.301 -23.881 1.00 1.00 O -ATOM 22748 CB SER D 224 -28.682 39.240 -24.727 1.00 1.00 C -ATOM 22749 OG SER D 224 -28.245 37.897 -24.622 1.00 1.00 O -ATOM 22752 N HIS D 225 -27.980 42.047 -26.080 1.00 1.00 N -ATOM 22753 CA HIS D 225 -28.608 43.307 -26.452 1.00 1.00 C -ATOM 22760 C HIS D 225 -30.095 43.225 -26.219 1.00 1.00 C -ATOM 22761 O HIS D 225 -30.694 42.151 -26.320 1.00 1.00 O -ATOM 22754 CB HIS D 225 -28.326 43.668 -27.916 1.00 1.00 C -ATOM 22755 CG HIS D 225 -26.983 44.289 -28.115 1.00 1.00 C -ATOM 22759 CD2 HIS D 225 -26.563 45.566 -27.972 1.00 1.00 C -ATOM 22756 ND1 HIS D 225 -25.865 43.550 -28.434 1.00 1.00 N -ATOM 22757 CE1 HIS D 225 -24.817 44.350 -28.503 1.00 1.00 C -ATOM 22758 NE2 HIS D 225 -25.213 45.580 -28.231 1.00 1.00 N -ATOM 22762 N TYR D 226 -30.678 44.369 -25.885 1.00 1.00 N -ATOM 22763 CA TYR D 226 -32.114 44.486 -25.733 1.00 1.00 C -ATOM 22772 C TYR D 226 -32.491 45.819 -26.375 1.00 1.00 C -ATOM 22773 O TYR D 226 -31.826 46.836 -26.136 1.00 1.00 O -ATOM 22764 CB TYR D 226 -32.536 44.434 -24.244 1.00 1.00 C -ATOM 22765 CG TYR D 226 -34.028 44.600 -24.082 1.00 1.00 C -ATOM 22766 CD1 TYR D 226 -34.879 43.495 -24.086 1.00 1.00 C -ATOM 22771 CD2 TYR D 226 -34.596 45.871 -23.968 1.00 1.00 C -ATOM 22767 CE1 TYR D 226 -36.259 43.647 -23.962 1.00 1.00 C -ATOM 22770 CE2 TYR D 226 -35.973 46.038 -23.839 1.00 1.00 C -ATOM 22768 CZ TYR D 226 -36.800 44.922 -23.833 1.00 1.00 C -ATOM 22769 OH TYR D 226 -38.168 45.069 -23.717 1.00 1.00 O -ATOM 22774 N PRO D 227 -33.554 45.836 -27.195 1.00 1.00 N -ATOM 22775 CA PRO D 227 -34.483 44.752 -27.535 1.00 1.00 C -ATOM 22779 C PRO D 227 -33.941 43.758 -28.558 1.00 1.00 C -ATOM 22780 O PRO D 227 -34.605 42.741 -28.814 1.00 1.00 O -ATOM 22776 CB PRO D 227 -35.677 45.481 -28.168 1.00 1.00 C -ATOM 22777 CG PRO D 227 -35.340 46.931 -28.175 1.00 1.00 C -ATOM 22778 CD PRO D 227 -33.902 47.099 -27.865 1.00 1.00 C -ATOM 22781 N GLN D 228 -32.787 44.046 -29.151 1.00 1.00 N -ATOM 22782 CA GLN D 228 -32.191 43.123 -30.123 1.00 1.00 C -ATOM 22788 C GLN D 228 -31.602 41.869 -29.458 1.00 1.00 C -ATOM 22789 O GLN D 228 -30.372 41.685 -29.444 1.00 1.00 O -ATOM 22783 CB GLN D 228 -31.096 43.820 -30.924 1.00 1.00 C -ATOM 22784 CG GLN D 228 -31.539 45.094 -31.582 1.00 1.00 C -ATOM 22785 CD GLN D 228 -31.574 46.270 -30.622 1.00 1.00 C -ATOM 22787 NE2 GLN D 228 -30.970 46.109 -29.446 1.00 1.00 N -ATOM 22786 OE1 GLN D 228 -32.142 47.312 -30.936 1.00 1.00 O -ATOM 22790 N CYS D 229 -32.477 41.014 -28.928 1.00 1.00 N -ATOM 22791 CA CYS D 229 -32.059 39.864 -28.140 1.00 1.00 C -ATOM 22794 C CYS D 229 -31.461 38.732 -28.982 1.00 1.00 C -ATOM 22795 O CYS D 229 -30.875 37.794 -28.442 1.00 1.00 O -ATOM 22792 CB CYS D 229 -33.235 39.352 -27.300 1.00 1.00 C -ATOM 22793 SG CYS D 229 -33.744 40.496 -26.002 1.00 1.00 S -ATOM 22796 N PHE D 230 -31.610 38.820 -30.299 1.00 1.00 N -ATOM 22797 CA PHE D 230 -30.964 37.857 -31.187 1.00 1.00 C -ATOM 22805 C PHE D 230 -29.452 38.055 -31.232 1.00 1.00 C -ATOM 22806 O PHE D 230 -28.742 37.299 -31.881 1.00 1.00 O -ATOM 22798 CB PHE D 230 -31.563 37.909 -32.593 1.00 1.00 C -ATOM 22799 CG PHE D 230 -31.524 39.270 -33.219 1.00 1.00 C -ATOM 22800 CD1 PHE D 230 -30.443 39.661 -33.980 1.00 1.00 C -ATOM 22804 CD2 PHE D 230 -32.577 40.151 -33.060 1.00 1.00 C -ATOM 22801 CE1 PHE D 230 -30.400 40.913 -34.562 1.00 1.00 C -ATOM 22803 CE2 PHE D 230 -32.543 41.399 -33.639 1.00 1.00 C -ATOM 22802 CZ PHE D 230 -31.452 41.785 -34.386 1.00 1.00 C -ATOM 22807 N ILE D 231 -28.951 39.057 -30.522 1.00 1.00 N -ATOM 22808 CA ILE D 231 -27.519 39.342 -30.545 1.00 1.00 C -ATOM 22813 C ILE D 231 -26.869 39.196 -29.185 1.00 1.00 C -ATOM 22814 O ILE D 231 -27.071 40.022 -28.286 1.00 1.00 O -ATOM 22809 CB ILE D 231 -27.231 40.783 -30.999 1.00 1.00 C -ATOM 22810 CG1 ILE D 231 -27.875 41.084 -32.354 1.00 1.00 C -ATOM 22812 CG2 ILE D 231 -25.737 41.046 -30.992 1.00 1.00 C -ATOM 22811 CD1 ILE D 231 -27.909 42.574 -32.670 1.00 1.00 C -ATOM 22815 N VAL D 232 -26.075 38.153 -29.032 1.00 1.00 N -ATOM 22816 CA VAL D 232 -25.373 37.943 -27.780 1.00 1.00 C -ATOM 22820 C VAL D 232 -24.168 38.846 -27.731 1.00 1.00 C -ATOM 22821 O VAL D 232 -23.295 38.774 -28.590 1.00 1.00 O -ATOM 22817 CB VAL D 232 -24.906 36.492 -27.630 1.00 1.00 C -ATOM 22818 CG1 VAL D 232 -24.016 36.344 -26.420 1.00 1.00 C -ATOM 22819 CG2 VAL D 232 -26.093 35.563 -27.541 1.00 1.00 C -ATOM 22822 N ASP D 233 -24.106 39.705 -26.728 1.00 1.00 N -ATOM 22823 CA ASP D 233 -22.956 40.596 -26.632 1.00 1.00 C -ATOM 22828 C ASP D 233 -21.718 39.818 -26.192 1.00 1.00 C -ATOM 22829 O ASP D 233 -20.720 39.756 -26.909 1.00 1.00 O -ATOM 22824 CB ASP D 233 -23.247 41.764 -25.700 1.00 1.00 C -ATOM 22825 CG ASP D 233 -22.022 42.584 -25.407 1.00 1.00 C -ATOM 22826 OD1 ASP D 233 -21.372 43.043 -26.371 1.00 1.00 O -ATOM 22827 OD2 ASP D 233 -21.713 42.778 -24.212 1.00 1.00 O -ATOM 22830 N LYS D 234 -21.780 39.211 -25.017 1.00 1.00 N -ATOM 22831 CA LYS D 234 -20.686 38.353 -24.563 1.00 1.00 C -ATOM 22837 C LYS D 234 -21.114 37.472 -23.391 1.00 1.00 C -ATOM 22838 O LYS D 234 -22.275 37.511 -22.975 1.00 1.00 O -ATOM 22832 CB LYS D 234 -19.460 39.178 -24.174 1.00 1.00 C -ATOM 22833 CG LYS D 234 -19.377 39.511 -22.701 1.00 1.00 C -ATOM 22834 CD LYS D 234 -19.805 40.930 -22.421 1.00 1.00 C -ATOM 22835 CE LYS D 234 -18.672 41.883 -22.767 1.00 1.00 C -ATOM 22836 NZ LYS D 234 -19.165 43.243 -23.101 1.00 1.00 N -ATOM 22839 N TRP D 235 -20.181 36.663 -22.886 1.00 1.00 N -ATOM 22840 CA TRP D 235 -20.395 35.853 -21.678 1.00 1.00 C -ATOM 22851 C TRP D 235 -19.258 36.188 -20.726 1.00 1.00 C -ATOM 22852 O TRP D 235 -18.178 36.560 -21.165 1.00 1.00 O -ATOM 22841 CB TRP D 235 -20.389 34.335 -21.952 1.00 1.00 C -ATOM 22842 CG TRP D 235 -21.084 33.920 -23.219 1.00 1.00 C -ATOM 22843 CD1 TRP D 235 -20.717 34.220 -24.514 1.00 1.00 C -ATOM 22846 CD2 TRP D 235 -22.250 33.110 -23.320 1.00 1.00 C -ATOM 22845 CE2 TRP D 235 -22.544 32.964 -24.698 1.00 1.00 C -ATOM 22847 CE3 TRP D 235 -23.062 32.482 -22.386 1.00 1.00 C -ATOM 22844 NE1 TRP D 235 -21.600 33.652 -25.403 1.00 1.00 N -ATOM 22850 CZ2 TRP D 235 -23.627 32.238 -25.149 1.00 1.00 C -ATOM 22848 CZ3 TRP D 235 -24.136 31.768 -22.840 1.00 1.00 C -ATOM 22849 CH2 TRP D 235 -24.411 31.647 -24.209 1.00 1.00 C -ATOM 22853 N LEU D 236 -19.509 36.090 -19.425 1.00 1.00 N -ATOM 22854 CA LEU D 236 -18.465 36.337 -18.448 1.00 1.00 C -ATOM 22859 C LEU D 236 -18.000 34.971 -17.990 1.00 1.00 C -ATOM 22860 O LEU D 236 -18.806 34.180 -17.493 1.00 1.00 O -ATOM 22855 CB LEU D 236 -18.999 37.170 -17.270 1.00 1.00 C -ATOM 22856 CG LEU D 236 -19.555 38.540 -17.666 1.00 1.00 C -ATOM 22857 CD1 LEU D 236 -20.053 39.280 -16.437 1.00 1.00 C -ATOM 22858 CD2 LEU D 236 -18.494 39.360 -18.409 1.00 1.00 C -ATOM 22861 N PHE D 237 -16.717 34.666 -18.186 1.00 1.00 N -ATOM 22862 CA PHE D 237 -16.222 33.318 -17.868 1.00 1.00 C -ATOM 22870 C PHE D 237 -15.367 33.334 -16.621 1.00 1.00 C -ATOM 22871 O PHE D 237 -14.519 34.224 -16.448 1.00 1.00 O -ATOM 22863 CB PHE D 237 -15.395 32.704 -19.009 1.00 1.00 C -ATOM 22864 CG PHE D 237 -16.162 32.476 -20.278 1.00 1.00 C -ATOM 22865 CD1 PHE D 237 -15.919 33.266 -21.413 1.00 1.00 C -ATOM 22869 CD2 PHE D 237 -17.103 31.471 -20.353 1.00 1.00 C -ATOM 22866 CE1 PHE D 237 -16.629 33.052 -22.593 1.00 1.00 C -ATOM 22868 CE2 PHE D 237 -17.821 31.244 -21.529 1.00 1.00 C -ATOM 22867 CZ PHE D 237 -17.582 32.031 -22.653 1.00 1.00 C -ATOM 22872 N GLY D 238 -15.568 32.326 -15.774 1.00 1.00 N -ATOM 22873 CA GLY D 238 -14.868 32.256 -14.506 1.00 1.00 C -ATOM 22874 C GLY D 238 -15.503 31.330 -13.482 1.00 1.00 C -ATOM 22875 O GLY D 238 -14.794 30.630 -12.762 1.00 1.00 O -ATOM 22876 N HIS D 239 -16.833 31.319 -13.413 1.00 1.00 N -ATOM 22877 CA HIS D 239 -17.535 30.471 -12.450 1.00 1.00 C -ATOM 22884 C HIS D 239 -17.318 29.013 -12.782 1.00 1.00 C -ATOM 22885 O HIS D 239 -17.452 28.618 -13.946 1.00 1.00 O -ATOM 22878 CB HIS D 239 -19.039 30.756 -12.440 1.00 1.00 C -ATOM 22879 CG HIS D 239 -19.448 31.870 -11.524 1.00 1.00 C -ATOM 22883 CD2 HIS D 239 -19.844 31.859 -10.228 1.00 1.00 C -ATOM 22880 ND1 HIS D 239 -19.505 33.186 -11.929 1.00 1.00 N -ATOM 22881 CE1 HIS D 239 -19.911 33.939 -10.920 1.00 1.00 C -ATOM 22882 NE2 HIS D 239 -20.118 33.158 -9.876 1.00 1.00 N -ATOM 22886 N LYS D 240 -16.981 28.228 -11.757 1.00 1.00 N -ATOM 22887 CA LYS D 240 -16.866 26.771 -11.868 1.00 1.00 C -ATOM 22893 C LYS D 240 -18.166 26.077 -11.498 1.00 1.00 C -ATOM 22894 O LYS D 240 -18.370 24.922 -11.836 1.00 1.00 O -ATOM 22888 CB LYS D 240 -15.778 26.230 -10.938 1.00 1.00 C -ATOM 22889 CG LYS D 240 -14.342 26.574 -11.306 1.00 1.00 C -ATOM 22890 CD LYS D 240 -13.474 26.580 -10.044 1.00 1.00 C -ATOM 22891 CE LYS D 240 -12.068 26.061 -10.297 1.00 1.00 C -ATOM 22892 NZ LYS D 240 -11.497 26.557 -11.583 1.00 1.00 N -ATOM 22895 N HIS D 241 -19.029 26.773 -10.770 1.00 1.00 N -ATOM 22896 CA HIS D 241 -20.261 26.183 -10.252 1.00 1.00 C -ATOM 22903 C HIS D 241 -21.447 27.077 -10.560 1.00 1.00 C -ATOM 22904 O HIS D 241 -21.273 28.209 -11.002 1.00 1.00 O -ATOM 22897 CB HIS D 241 -20.134 25.949 -8.743 1.00 1.00 C -ATOM 22898 CG HIS D 241 -18.914 25.160 -8.373 1.00 1.00 C -ATOM 22902 CD2 HIS D 241 -17.707 25.551 -7.894 1.00 1.00 C -ATOM 22899 ND1 HIS D 241 -18.835 23.793 -8.544 1.00 1.00 N -ATOM 22900 CE1 HIS D 241 -17.639 23.374 -8.170 1.00 1.00 C -ATOM 22901 NE2 HIS D 241 -16.936 24.420 -7.765 1.00 1.00 N -ATOM 22905 N PHE D 242 -22.653 26.567 -10.360 1.00 1.00 N -ATOM 22906 CA PHE D 242 -23.824 27.341 -10.733 1.00 1.00 C -ATOM 22914 C PHE D 242 -23.753 28.762 -10.145 1.00 1.00 C -ATOM 22915 O PHE D 242 -23.231 28.974 -9.043 1.00 1.00 O -ATOM 22907 CB PHE D 242 -25.092 26.638 -10.276 1.00 1.00 C -ATOM 22908 CG PHE D 242 -25.239 26.579 -8.789 1.00 1.00 C -ATOM 22909 CD1 PHE D 242 -25.986 27.536 -8.109 1.00 1.00 C -ATOM 22913 CD2 PHE D 242 -24.625 25.575 -8.057 1.00 1.00 C -ATOM 22910 CE1 PHE D 242 -26.120 27.481 -6.716 1.00 1.00 C -ATOM 22912 CE2 PHE D 242 -24.756 25.515 -6.680 1.00 1.00 C -ATOM 22911 CZ PHE D 242 -25.498 26.469 -6.009 1.00 1.00 C -ATOM 22916 N VAL D 243 -24.252 29.734 -10.902 1.00 1.00 N -ATOM 22917 CA VAL D 243 -24.324 31.111 -10.448 1.00 1.00 C -ATOM 22921 C VAL D 243 -25.759 31.293 -9.990 1.00 1.00 C -ATOM 22922 O VAL D 243 -26.691 30.911 -10.694 1.00 1.00 O -ATOM 22918 CB VAL D 243 -24.109 32.070 -11.626 1.00 1.00 C -ATOM 22919 CG1 VAL D 243 -24.347 33.553 -11.258 1.00 1.00 C -ATOM 22920 CG2 VAL D 243 -22.825 31.764 -12.421 1.00 1.00 C -ATOM 22923 N SER D 244 -25.943 31.871 -8.811 1.00 1.00 N -ATOM 22924 CA SER D 244 -27.281 32.001 -8.239 1.00 1.00 C -ATOM 22927 C SER D 244 -27.752 33.446 -8.158 1.00 1.00 C -ATOM 22928 O SER D 244 -28.951 33.715 -8.086 1.00 1.00 O -ATOM 22925 CB SER D 244 -27.295 31.428 -6.836 1.00 1.00 C -ATOM 22926 OG SER D 244 -26.702 32.358 -5.951 1.00 1.00 O -ATOM 22929 N SER D 245 -26.813 34.384 -8.175 1.00 1.00 N -ATOM 22930 CA SER D 245 -27.187 35.757 -7.909 1.00 1.00 C -ATOM 22933 C SER D 245 -26.193 36.721 -8.502 1.00 1.00 C -ATOM 22934 O SER D 245 -24.993 36.495 -8.450 1.00 1.00 O -ATOM 22931 CB SER D 245 -27.313 35.982 -6.387 1.00 1.00 C -ATOM 22932 OG SER D 245 -27.659 37.330 -6.088 1.00 1.00 O -ATOM 22935 N ILE D 246 -26.705 37.808 -9.057 1.00 1.00 N -ATOM 22936 CA ILE D 246 -25.866 38.849 -9.630 1.00 1.00 C -ATOM 22941 C ILE D 246 -26.394 40.176 -9.125 1.00 1.00 C -ATOM 22942 O ILE D 246 -27.605 40.340 -8.957 1.00 1.00 O -ATOM 22937 CB ILE D 246 -25.956 38.842 -11.183 1.00 1.00 C -ATOM 22938 CG1 ILE D 246 -25.120 37.712 -11.766 1.00 1.00 C -ATOM 22940 CG2 ILE D 246 -25.487 40.154 -11.775 1.00 1.00 C -ATOM 22939 CD1 ILE D 246 -25.574 37.315 -13.142 1.00 1.00 C -ATOM 22943 N CYS D 247 -25.503 41.123 -8.871 1.00 1.00 N -ATOM 22944 CA CYS D 247 -25.967 42.473 -8.651 1.00 1.00 C -ATOM 22947 C CYS D 247 -25.077 43.460 -9.392 1.00 1.00 C -ATOM 22948 O CYS D 247 -23.868 43.300 -9.423 1.00 1.00 O -ATOM 22945 CB CYS D 247 -26.092 42.788 -7.149 1.00 1.00 C -ATOM 22946 SG CYS D 247 -24.619 43.453 -6.334 1.00 1.00 S -ATOM 22949 N CYS D 248 -25.701 44.476 -9.981 1.00 1.00 N -ATOM 22950 CA CYS D 248 -25.018 45.449 -10.830 1.00 1.00 C -ATOM 22953 C CYS D 248 -24.625 46.700 -10.060 1.00 1.00 C -ATOM 22954 O CYS D 248 -25.424 47.249 -9.309 1.00 1.00 O -ATOM 22951 CB CYS D 248 -25.913 45.824 -12.011 1.00 1.00 C -ATOM 22952 SG CYS D 248 -26.664 44.376 -12.823 1.00 1.00 S -ATOM 22955 N GLY D 249 -23.388 47.147 -10.258 1.00 1.00 N -ATOM 22956 CA GLY D 249 -22.853 48.287 -9.539 1.00 1.00 C -ATOM 22957 C GLY D 249 -22.609 49.517 -10.388 1.00 1.00 C -ATOM 22958 O GLY D 249 -23.226 49.708 -11.435 1.00 1.00 O -ATOM 22959 N LYS D 250 -21.703 50.365 -9.925 1.00 1.00 N -ATOM 22960 CA LYS D 250 -21.380 51.593 -10.643 1.00 1.00 C -ATOM 22966 C LYS D 250 -20.271 51.371 -11.663 1.00 1.00 C -ATOM 22967 O LYS D 250 -19.378 50.528 -11.464 1.00 1.00 O -ATOM 22961 CB LYS D 250 -20.978 52.704 -9.665 1.00 1.00 C -ATOM 22962 CG LYS D 250 -22.029 53.800 -9.458 1.00 1.00 C -ATOM 22963 CD LYS D 250 -23.453 53.240 -9.402 1.00 1.00 C -ATOM 22964 CE LYS D 250 -24.498 54.360 -9.386 1.00 1.00 C -ATOM 22965 NZ LYS D 250 -24.385 55.253 -8.196 1.00 1.00 N -ATOM 22968 N ASP D 251 -20.342 52.138 -12.750 1.00 1.00 N -ATOM 22969 CA ASP D 251 -19.347 52.091 -13.814 1.00 1.00 C -ATOM 22974 C ASP D 251 -19.041 50.656 -14.235 1.00 1.00 C -ATOM 22975 O ASP D 251 -17.899 50.198 -14.134 1.00 1.00 O -ATOM 22970 CB ASP D 251 -18.060 52.801 -13.388 1.00 1.00 C -ATOM 22971 CG ASP D 251 -17.176 53.187 -14.585 1.00 1.00 C -ATOM 22972 OD1 ASP D 251 -17.731 53.600 -15.632 1.00 1.00 O -ATOM 22973 OD2 ASP D 251 -15.928 53.085 -14.477 1.00 1.00 O -ATOM 22976 N TYR D 252 -20.075 49.949 -14.683 1.00 1.00 N -ATOM 22977 CA TYR D 252 -19.927 48.619 -15.273 1.00 1.00 C -ATOM 22986 C TYR D 252 -19.402 47.578 -14.321 1.00 1.00 C -ATOM 22987 O TYR D 252 -18.941 46.524 -14.759 1.00 1.00 O -ATOM 22978 CB TYR D 252 -19.016 48.659 -16.494 1.00 1.00 C -ATOM 22979 CG TYR D 252 -19.503 49.605 -17.527 1.00 1.00 C -ATOM 22980 CD1 TYR D 252 -18.797 50.765 -17.819 1.00 1.00 C -ATOM 22985 CD2 TYR D 252 -20.688 49.360 -18.201 1.00 1.00 C -ATOM 22981 CE1 TYR D 252 -19.246 51.651 -18.775 1.00 1.00 C -ATOM 22984 CE2 TYR D 252 -21.154 50.246 -19.159 1.00 1.00 C -ATOM 22982 CZ TYR D 252 -20.423 51.387 -19.440 1.00 1.00 C -ATOM 22983 OH TYR D 252 -20.876 52.263 -20.384 1.00 1.00 O -ATOM 22988 N LEU D 253 -19.456 47.857 -13.024 1.00 1.00 N -ATOM 22989 CA LEU D 253 -19.071 46.835 -12.070 1.00 1.00 C -ATOM 22994 C LEU D 253 -20.211 45.839 -11.948 1.00 1.00 C -ATOM 22995 O LEU D 253 -21.378 46.209 -11.895 1.00 1.00 O -ATOM 22990 CB LEU D 253 -18.684 47.433 -10.726 1.00 1.00 C -ATOM 22991 CG LEU D 253 -18.427 46.426 -9.603 1.00 1.00 C -ATOM 22992 CD1 LEU D 253 -17.318 45.432 -9.923 1.00 1.00 C -ATOM 22993 CD2 LEU D 253 -18.138 47.176 -8.307 1.00 1.00 C -ATOM 22996 N LEU D 254 -19.873 44.562 -11.974 1.00 1.00 N -ATOM 22997 CA LEU D 254 -20.872 43.540 -11.751 1.00 1.00 C -ATOM 23002 C LEU D 254 -20.328 42.622 -10.677 1.00 1.00 C -ATOM 23003 O LEU D 254 -19.119 42.374 -10.614 1.00 1.00 O -ATOM 22998 CB LEU D 254 -21.157 42.761 -13.043 1.00 1.00 C -ATOM 22999 CG LEU D 254 -22.515 42.059 -13.162 1.00 1.00 C -ATOM 23000 CD1 LEU D 254 -23.623 43.075 -13.303 1.00 1.00 C -ATOM 23001 CD2 LEU D 254 -22.542 41.109 -14.344 1.00 1.00 C -ATOM 23004 N LEU D 255 -21.220 42.136 -9.821 1.00 1.00 N -ATOM 23005 CA LEU D 255 -20.869 41.189 -8.771 1.00 1.00 C -ATOM 23010 C LEU D 255 -21.702 39.933 -8.957 1.00 1.00 C -ATOM 23011 O LEU D 255 -22.928 40.006 -9.113 1.00 1.00 O -ATOM 23006 CB LEU D 255 -21.143 41.806 -7.401 1.00 1.00 C -ATOM 23007 CG LEU D 255 -19.985 42.447 -6.625 1.00 1.00 C -ATOM 23008 CD1 LEU D 255 -18.791 42.737 -7.502 1.00 1.00 C -ATOM 23009 CD2 LEU D 255 -20.445 43.707 -5.906 1.00 1.00 C -ATOM 23012 N SER D 256 -21.050 38.776 -8.949 1.00 1.00 N -ATOM 23013 CA SER D 256 -21.774 37.526 -9.128 1.00 1.00 C -ATOM 23016 C SER D 256 -21.321 36.492 -8.127 1.00 1.00 C -ATOM 23017 O SER D 256 -20.161 36.484 -7.713 1.00 1.00 O -ATOM 23014 CB SER D 256 -21.597 36.971 -10.554 1.00 1.00 C -ATOM 23015 OG SER D 256 -20.267 36.538 -10.801 1.00 1.00 O -ATOM 23018 N ALA D 257 -22.246 35.610 -7.756 1.00 1.00 N -ATOM 23019 CA ALA D 257 -21.968 34.543 -6.796 1.00 1.00 C -ATOM 23021 C ALA D 257 -22.895 33.342 -6.948 1.00 1.00 C -ATOM 23022 O ALA D 257 -23.875 33.366 -7.708 1.00 1.00 O -ATOM 23020 CB ALA D 257 -22.047 35.074 -5.374 1.00 1.00 C -ATOM 23023 N GLY D 258 -22.581 32.291 -6.201 1.00 1.00 N -ATOM 23024 CA GLY D 258 -23.419 31.108 -6.167 1.00 1.00 C -ATOM 23025 C GLY D 258 -22.618 29.952 -5.612 1.00 1.00 C -ATOM 23026 O GLY D 258 -21.976 30.103 -4.570 1.00 1.00 O -ATOM 23027 N GLY D 259 -22.623 28.819 -6.321 1.00 1.00 N -ATOM 23028 CA GLY D 259 -22.016 27.591 -5.833 1.00 1.00 C -ATOM 23029 C GLY D 259 -20.524 27.720 -5.602 1.00 1.00 C -ATOM 23030 O GLY D 259 -19.914 26.905 -4.907 1.00 1.00 O -ATOM 23031 N ASP D 260 -19.931 28.757 -6.178 1.00 1.00 N -ATOM 23032 CA ASP D 260 -18.489 28.934 -6.090 1.00 1.00 C -ATOM 23037 C ASP D 260 -17.994 29.342 -4.699 1.00 1.00 C -ATOM 23038 O ASP D 260 -18.771 29.625 -3.801 1.00 1.00 O -ATOM 23033 CB ASP D 260 -17.982 29.912 -7.163 1.00 1.00 C -ATOM 23034 CG ASP D 260 -17.767 29.238 -8.513 1.00 1.00 C -ATOM 23035 OD1 ASP D 260 -18.755 29.008 -9.242 1.00 1.00 O -ATOM 23036 OD2 ASP D 260 -16.604 28.945 -8.849 1.00 1.00 O -ATOM 23039 N ASP D 261 -16.676 29.400 -4.571 1.00 1.00 N -ATOM 23040 CA ASP D 261 -15.965 29.601 -3.319 1.00 1.00 C -ATOM 23045 C ASP D 261 -15.695 31.084 -3.136 1.00 1.00 C -ATOM 23046 O ASP D 261 -15.184 31.520 -2.095 1.00 1.00 O -ATOM 23041 CB ASP D 261 -14.606 28.899 -3.448 1.00 1.00 C -ATOM 23042 CG ASP D 261 -14.208 28.170 -2.196 1.00 1.00 C -ATOM 23043 OD1 ASP D 261 -15.075 27.450 -1.647 1.00 1.00 O -ATOM 23044 OD2 ASP D 261 -13.035 28.313 -1.774 1.00 1.00 O -ATOM 23047 N LYS D 262 -15.998 31.853 -4.177 1.00 1.00 N -ATOM 23048 CA LYS D 262 -15.569 33.246 -4.244 1.00 1.00 C -ATOM 23054 C LYS D 262 -16.687 34.109 -4.768 1.00 1.00 C -ATOM 23055 O LYS D 262 -17.605 33.630 -5.434 1.00 1.00 O -ATOM 23049 CB LYS D 262 -14.365 33.404 -5.177 1.00 1.00 C -ATOM 23050 CG LYS D 262 -13.473 32.182 -5.256 1.00 1.00 C -ATOM 23051 CD LYS D 262 -12.530 32.274 -6.449 1.00 1.00 C -ATOM 23052 CE LYS D 262 -11.376 31.285 -6.307 1.00 1.00 C -ATOM 23053 NZ LYS D 262 -10.688 31.422 -4.985 1.00 1.00 N -ATOM 23056 N ILE D 263 -16.622 35.385 -4.440 1.00 1.00 N -ATOM 23057 CA ILE D 263 -17.499 36.342 -5.067 1.00 1.00 C -ATOM 23062 C ILE D 263 -16.710 36.792 -6.277 1.00 1.00 C -ATOM 23063 O ILE D 263 -15.485 36.964 -6.202 1.00 1.00 O -ATOM 23058 CB ILE D 263 -17.831 37.529 -4.143 1.00 1.00 C -ATOM 23059 CG1 ILE D 263 -19.078 37.236 -3.296 1.00 1.00 C -ATOM 23061 CG2 ILE D 263 -18.129 38.751 -4.960 1.00 1.00 C -ATOM 23060 CD1 ILE D 263 -19.005 35.982 -2.482 1.00 1.00 C -ATOM 23064 N PHE D 264 -17.388 36.948 -7.405 1.00 1.00 N -ATOM 23065 CA PHE D 264 -16.711 37.397 -8.609 1.00 1.00 C -ATOM 23073 C PHE D 264 -17.020 38.870 -8.905 1.00 1.00 C -ATOM 23074 O PHE D 264 -18.172 39.312 -8.784 1.00 1.00 O -ATOM 23066 CB PHE D 264 -17.087 36.509 -9.801 1.00 1.00 C -ATOM 23067 CG PHE D 264 -16.429 35.145 -9.785 1.00 1.00 C -ATOM 23068 CD1 PHE D 264 -16.919 34.122 -8.979 1.00 1.00 C -ATOM 23072 CD2 PHE D 264 -15.335 34.876 -10.604 1.00 1.00 C -ATOM 23069 CE1 PHE D 264 -16.319 32.861 -8.978 1.00 1.00 C -ATOM 23071 CE2 PHE D 264 -14.723 33.617 -10.606 1.00 1.00 C -ATOM 23070 CZ PHE D 264 -15.217 32.607 -9.794 1.00 1.00 C -ATOM 23075 N ALA D 265 -15.986 39.623 -9.285 1.00 1.00 N -ATOM 23076 CA ALA D 265 -16.162 41.000 -9.743 1.00 1.00 C -ATOM 23078 C ALA D 265 -15.743 41.158 -11.214 1.00 1.00 C -ATOM 23079 O ALA D 265 -14.694 40.667 -11.641 1.00 1.00 O -ATOM 23077 CB ALA D 265 -15.400 41.967 -8.854 1.00 1.00 C -ATOM 23080 N TRP D 266 -16.576 41.851 -11.985 1.00 1.00 N -ATOM 23081 CA TRP D 266 -16.328 42.048 -13.406 1.00 1.00 C -ATOM 23092 C TRP D 266 -16.577 43.476 -13.810 1.00 1.00 C -ATOM 23093 O TRP D 266 -17.371 44.197 -13.191 1.00 1.00 O -ATOM 23082 CB TRP D 266 -17.290 41.208 -14.247 1.00 1.00 C -ATOM 23083 CG TRP D 266 -17.671 39.874 -13.674 1.00 1.00 C -ATOM 23084 CD1 TRP D 266 -18.549 39.630 -12.655 1.00 1.00 C -ATOM 23087 CD2 TRP D 266 -17.219 38.598 -14.127 1.00 1.00 C -ATOM 23086 CE2 TRP D 266 -17.844 37.624 -13.329 1.00 1.00 C -ATOM 23088 CE3 TRP D 266 -16.335 38.185 -15.130 1.00 1.00 C -ATOM 23085 NE1 TRP D 266 -18.651 38.279 -12.436 1.00 1.00 N -ATOM 23091 CZ2 TRP D 266 -17.610 36.260 -13.495 1.00 1.00 C -ATOM 23089 CZ3 TRP D 266 -16.105 36.833 -15.297 1.00 1.00 C -ATOM 23090 CH2 TRP D 266 -16.744 35.885 -14.487 1.00 1.00 C -ATOM 23094 N ASP D 267 -15.913 43.872 -14.883 1.00 1.00 N -ATOM 23095 CA ASP D 267 -16.354 45.012 -15.657 1.00 1.00 C -ATOM 23100 C ASP D 267 -17.159 44.383 -16.781 1.00 1.00 C -ATOM 23101 O ASP D 267 -16.608 43.621 -17.563 1.00 1.00 O -ATOM 23096 CB ASP D 267 -15.144 45.757 -16.221 1.00 1.00 C -ATOM 23097 CG ASP D 267 -15.534 46.973 -17.051 1.00 1.00 C -ATOM 23098 OD1 ASP D 267 -16.413 46.847 -17.938 1.00 1.00 O -ATOM 23099 OD2 ASP D 267 -14.946 48.056 -16.826 1.00 1.00 O -ATOM 23102 N TRP D 268 -18.458 44.656 -16.866 1.00 1.00 N -ATOM 23103 CA TRP D 268 -19.263 43.915 -17.841 1.00 1.00 C -ATOM 23114 C TRP D 268 -19.196 44.464 -19.273 1.00 1.00 C -ATOM 23115 O TRP D 268 -19.537 43.759 -20.227 1.00 1.00 O -ATOM 23104 CB TRP D 268 -20.708 43.698 -17.361 1.00 1.00 C -ATOM 23105 CG TRP D 268 -21.535 44.919 -17.244 1.00 1.00 C -ATOM 23106 CD1 TRP D 268 -21.759 45.653 -16.113 1.00 1.00 C -ATOM 23109 CD2 TRP D 268 -22.283 45.549 -18.290 1.00 1.00 C -ATOM 23108 CE2 TRP D 268 -22.928 46.672 -17.723 1.00 1.00 C -ATOM 23110 CE3 TRP D 268 -22.463 45.281 -19.652 1.00 1.00 C -ATOM 23107 NE1 TRP D 268 -22.595 46.711 -16.393 1.00 1.00 N -ATOM 23113 CZ2 TRP D 268 -23.735 47.526 -18.470 1.00 1.00 C -ATOM 23111 CZ3 TRP D 268 -23.276 46.117 -20.392 1.00 1.00 C -ATOM 23112 CH2 TRP D 268 -23.900 47.232 -19.800 1.00 1.00 C -ATOM 23116 N LYS D 269 -18.750 45.710 -19.414 1.00 1.00 N -ATOM 23117 CA LYS D 269 -18.499 46.291 -20.727 1.00 1.00 C -ATOM 23123 C LYS D 269 -17.257 45.623 -21.295 1.00 1.00 C -ATOM 23124 O LYS D 269 -17.229 45.143 -22.435 1.00 1.00 O -ATOM 23118 CB LYS D 269 -18.260 47.793 -20.587 1.00 1.00 C -ATOM 23119 CG LYS D 269 -18.234 48.577 -21.901 1.00 1.00 C -ATOM 23120 CD LYS D 269 -18.069 50.068 -21.618 1.00 1.00 C -ATOM 23121 CE LYS D 269 -18.422 50.930 -22.826 1.00 1.00 C -ATOM 23122 NZ LYS D 269 -18.396 52.392 -22.495 1.00 1.00 N -ATOM 23125 N THR D 270 -16.231 45.580 -20.460 1.00 1.00 N -ATOM 23126 CA THR D 270 -14.943 45.012 -20.804 1.00 1.00 C -ATOM 23130 C THR D 270 -15.014 43.495 -20.863 1.00 1.00 C -ATOM 23131 O THR D 270 -14.310 42.847 -21.638 1.00 1.00 O -ATOM 23127 CB THR D 270 -13.923 45.441 -19.739 1.00 1.00 C -ATOM 23129 CG2 THR D 270 -12.945 44.355 -19.447 1.00 1.00 C -ATOM 23128 OG1 THR D 270 -13.223 46.601 -20.200 1.00 1.00 O -ATOM 23132 N GLY D 271 -15.869 42.925 -20.033 1.00 1.00 N -ATOM 23133 CA GLY D 271 -15.962 41.479 -19.939 1.00 1.00 C -ATOM 23134 C GLY D 271 -14.867 40.876 -19.080 1.00 1.00 C -ATOM 23135 O GLY D 271 -14.803 39.654 -18.908 1.00 1.00 O -ATOM 23136 N LYS D 272 -14.004 41.729 -18.534 1.00 1.00 N -ATOM 23137 CA LYS D 272 -12.894 41.248 -17.718 1.00 1.00 C -ATOM 23143 C LYS D 272 -13.308 40.965 -16.274 1.00 1.00 C -ATOM 23144 O LYS D 272 -14.061 41.736 -15.664 1.00 1.00 O -ATOM 23138 CB LYS D 272 -11.730 42.239 -17.755 1.00 1.00 C -ATOM 23139 CG LYS D 272 -10.551 41.873 -16.872 1.00 1.00 C -ATOM 23140 CD LYS D 272 -9.466 42.950 -16.945 1.00 1.00 C -ATOM 23141 CE LYS D 272 -8.191 42.512 -16.227 1.00 1.00 C -ATOM 23142 NZ LYS D 272 -8.378 42.374 -14.760 1.00 1.00 N -ATOM 23145 N ASN D 273 -12.823 39.841 -15.752 1.00 1.00 N -ATOM 23146 CA ASN D 273 -12.954 39.503 -14.340 1.00 1.00 C -ATOM 23151 C ASN D 273 -11.953 40.333 -13.529 1.00 1.00 C -ATOM 23152 O ASN D 273 -10.762 40.055 -13.518 1.00 1.00 O -ATOM 23147 CB ASN D 273 -12.717 38.002 -14.133 1.00 1.00 C -ATOM 23148 CG ASN D 273 -12.748 37.588 -12.663 1.00 1.00 C -ATOM 23150 ND2 ASN D 273 -12.102 36.462 -12.364 1.00 1.00 N -ATOM 23149 OD1 ASN D 273 -13.348 38.259 -11.811 1.00 1.00 O -ATOM 23153 N LEU D 274 -12.445 41.367 -12.862 1.00 1.00 N -ATOM 23154 CA LEU D 274 -11.593 42.285 -12.123 1.00 1.00 C -ATOM 23159 C LEU D 274 -10.843 41.593 -10.979 1.00 1.00 C -ATOM 23160 O LEU D 274 -9.655 41.834 -10.775 1.00 1.00 O -ATOM 23155 CB LEU D 274 -12.443 43.449 -11.592 1.00 1.00 C -ATOM 23156 CG LEU D 274 -13.157 44.231 -12.699 1.00 1.00 C -ATOM 23157 CD1 LEU D 274 -14.131 45.271 -12.147 1.00 1.00 C -ATOM 23158 CD2 LEU D 274 -12.127 44.883 -13.587 1.00 1.00 C -ATOM 23161 N SER D 275 -11.537 40.737 -10.236 1.00 1.00 N -ATOM 23162 CA SER D 275 -10.942 40.075 -9.084 1.00 1.00 C -ATOM 23165 C SER D 275 -11.949 39.117 -8.482 1.00 1.00 C -ATOM 23166 O SER D 275 -13.134 39.147 -8.825 1.00 1.00 O -ATOM 23163 CB SER D 275 -10.556 41.104 -8.022 1.00 1.00 C -ATOM 23164 OG SER D 275 -11.685 41.443 -7.239 1.00 1.00 O -ATOM 23167 N THR D 276 -11.482 38.280 -7.567 1.00 1.00 N -ATOM 23168 CA THR D 276 -12.375 37.401 -6.830 1.00 1.00 C -ATOM 23172 C THR D 276 -12.114 37.537 -5.339 1.00 1.00 C -ATOM 23173 O THR D 276 -10.991 37.839 -4.930 1.00 1.00 O -ATOM 23169 CB THR D 276 -12.164 35.964 -7.251 1.00 1.00 C -ATOM 23171 CG2 THR D 276 -12.501 35.809 -8.718 1.00 1.00 C -ATOM 23170 OG1 THR D 276 -10.789 35.623 -7.055 1.00 1.00 O -ATOM 23174 N PHE D 277 -13.157 37.338 -4.537 1.00 1.00 N -ATOM 23175 CA PHE D 277 -13.033 37.362 -3.078 1.00 1.00 C -ATOM 23183 C PHE D 277 -13.371 35.995 -2.504 1.00 1.00 C -ATOM 23184 O PHE D 277 -14.493 35.511 -2.638 1.00 1.00 O -ATOM 23176 CB PHE D 277 -13.947 38.423 -2.460 1.00 1.00 C -ATOM 23177 CG PHE D 277 -13.828 38.527 -0.966 1.00 1.00 C -ATOM 23178 CD1 PHE D 277 -12.930 39.417 -0.391 1.00 1.00 C -ATOM 23182 CD2 PHE D 277 -14.612 37.737 -0.135 1.00 1.00 C -ATOM 23179 CE1 PHE D 277 -12.816 39.506 0.986 1.00 1.00 C -ATOM 23181 CE2 PHE D 277 -14.499 37.824 1.235 1.00 1.00 C -ATOM 23180 CZ PHE D 277 -13.597 38.705 1.793 1.00 1.00 C -ATOM 23185 N ASP D 278 -12.395 35.370 -1.862 1.00 1.00 N -ATOM 23186 CA ASP D 278 -12.596 34.046 -1.297 1.00 1.00 C -ATOM 23191 C ASP D 278 -13.188 34.202 0.093 1.00 1.00 C -ATOM 23192 O ASP D 278 -12.639 34.915 0.933 1.00 1.00 O -ATOM 23187 CB ASP D 278 -11.264 33.280 -1.254 1.00 1.00 C -ATOM 23188 CG ASP D 278 -11.456 31.782 -1.108 1.00 1.00 C -ATOM 23189 OD1 ASP D 278 -12.325 31.360 -0.310 1.00 1.00 O -ATOM 23190 OD2 ASP D 278 -10.739 31.025 -1.794 1.00 1.00 O -ATOM 23193 N TYR D 279 -14.319 33.549 0.332 1.00 1.00 N -ATOM 23194 CA TYR D 279 -15.021 33.708 1.599 1.00 1.00 C -ATOM 23203 C TYR D 279 -15.072 32.381 2.355 1.00 1.00 C -ATOM 23204 O TYR D 279 -15.817 32.238 3.329 1.00 1.00 O -ATOM 23195 CB TYR D 279 -16.439 34.253 1.360 1.00 1.00 C -ATOM 23196 CG TYR D 279 -17.341 33.285 0.629 1.00 1.00 C -ATOM 23197 CD1 TYR D 279 -18.075 32.326 1.321 1.00 1.00 C -ATOM 23202 CD2 TYR D 279 -17.451 33.320 -0.750 1.00 1.00 C -ATOM 23198 CE1 TYR D 279 -18.887 31.428 0.657 1.00 1.00 C -ATOM 23201 CE2 TYR D 279 -18.268 32.419 -1.429 1.00 1.00 C -ATOM 23199 CZ TYR D 279 -18.975 31.477 -0.723 1.00 1.00 C -ATOM 23200 OH TYR D 279 -19.787 30.589 -1.394 1.00 1.00 O -ATOM 23205 N ASN D 280 -14.277 31.413 1.910 1.00 1.00 N -ATOM 23206 CA ASN D 280 -14.323 30.080 2.497 1.00 1.00 C -ATOM 23211 C ASN D 280 -13.955 30.058 3.985 1.00 1.00 C -ATOM 23212 O ASN D 280 -14.696 29.510 4.814 1.00 1.00 O -ATOM 23207 CB ASN D 280 -13.454 29.096 1.704 1.00 1.00 C -ATOM 23208 CG ASN D 280 -13.653 27.656 2.151 1.00 1.00 C -ATOM 23210 ND2 ASN D 280 -14.282 26.851 1.299 1.00 1.00 N -ATOM 23209 OD1 ASN D 280 -13.254 27.275 3.255 1.00 1.00 O -ATOM 23213 N SER D 281 -12.815 30.655 4.320 1.00 1.00 N -ATOM 23214 CA SER D 281 -12.364 30.674 5.708 1.00 1.00 C -ATOM 23217 C SER D 281 -13.356 31.389 6.640 1.00 1.00 C -ATOM 23218 O SER D 281 -13.432 31.081 7.832 1.00 1.00 O -ATOM 23215 CB SER D 281 -10.963 31.288 5.812 1.00 1.00 C -ATOM 23216 OG SER D 281 -10.966 32.640 5.397 1.00 1.00 O -ATOM 23219 N LEU D 282 -14.120 32.331 6.094 1.00 1.00 N -ATOM 23220 CA LEU D 282 -15.136 33.022 6.882 1.00 1.00 C -ATOM 23225 C LEU D 282 -16.333 32.130 7.244 1.00 1.00 C -ATOM 23226 O LEU D 282 -16.637 31.972 8.428 1.00 1.00 O -ATOM 23221 CB LEU D 282 -15.615 34.297 6.187 1.00 1.00 C -ATOM 23222 CG LEU D 282 -14.555 35.341 5.834 1.00 1.00 C -ATOM 23223 CD1 LEU D 282 -15.192 36.505 5.084 1.00 1.00 C -ATOM 23224 CD2 LEU D 282 -13.820 35.840 7.077 1.00 1.00 C -ATOM 23227 N ILE D 283 -17.031 31.565 6.260 1.00 1.00 N -ATOM 23228 CA ILE D 283 -18.226 30.787 6.608 1.00 1.00 C -ATOM 23233 C ILE D 283 -17.918 29.410 7.168 1.00 1.00 C -ATOM 23234 O ILE D 283 -18.844 28.696 7.554 1.00 1.00 O -ATOM 23229 CB ILE D 283 -19.268 30.590 5.446 1.00 1.00 C -ATOM 23230 CG1 ILE D 283 -18.584 30.566 4.080 1.00 1.00 C -ATOM 23232 CG2 ILE D 283 -20.445 31.571 5.542 1.00 1.00 C -ATOM 23231 CD1 ILE D 283 -17.814 29.283 3.843 1.00 1.00 C -ATOM 23235 N LYS D 284 -16.645 29.024 7.211 1.00 1.00 N -ATOM 23236 CA LYS D 284 -16.327 27.678 7.687 1.00 1.00 C -ATOM 23242 C LYS D 284 -16.977 27.365 9.045 1.00 1.00 C -ATOM 23243 O LYS D 284 -17.735 26.394 9.163 1.00 1.00 O -ATOM 23237 CB LYS D 284 -14.818 27.412 7.716 1.00 1.00 C -ATOM 23238 CG LYS D 284 -14.483 25.939 7.489 1.00 1.00 C -ATOM 23239 CD LYS D 284 -13.179 25.535 8.151 1.00 1.00 C -ATOM 23240 CE LYS D 284 -12.936 24.033 7.970 1.00 1.00 C -ATOM 23241 NZ LYS D 284 -11.891 23.490 8.889 1.00 1.00 N -ATOM 23244 N PRO D 285 -16.709 28.206 10.061 1.00 1.00 N -ATOM 23245 CA PRO D 285 -17.272 28.026 11.413 1.00 1.00 C -ATOM 23249 C PRO D 285 -18.793 27.931 11.400 1.00 1.00 C -ATOM 23250 O PRO D 285 -19.391 27.384 12.332 1.00 1.00 O -ATOM 23246 CB PRO D 285 -16.868 29.312 12.144 1.00 1.00 C -ATOM 23247 CG PRO D 285 -15.716 29.881 11.365 1.00 1.00 C -ATOM 23248 CD PRO D 285 -15.894 29.432 9.945 1.00 1.00 C -ATOM 23251 N TYR D 286 -19.407 28.473 10.352 1.00 1.00 N -ATOM 23252 CA TYR D 286 -20.859 28.600 10.292 1.00 1.00 C -ATOM 23261 C TYR D 286 -21.535 27.433 9.596 1.00 1.00 C -ATOM 23262 O TYR D 286 -22.755 27.276 9.715 1.00 1.00 O -ATOM 23253 CB TYR D 286 -21.262 29.910 9.607 1.00 1.00 C -ATOM 23254 CG TYR D 286 -20.898 31.149 10.393 1.00 1.00 C -ATOM 23255 CD1 TYR D 286 -19.676 31.793 10.188 1.00 1.00 C -ATOM 23260 CD2 TYR D 286 -21.777 31.680 11.336 1.00 1.00 C -ATOM 23256 CE1 TYR D 286 -19.337 32.928 10.900 1.00 1.00 C -ATOM 23259 CE2 TYR D 286 -21.444 32.813 12.062 1.00 1.00 C -ATOM 23257 CZ TYR D 286 -20.222 33.431 11.839 1.00 1.00 C -ATOM 23258 OH TYR D 286 -19.881 34.557 12.545 1.00 1.00 O -ATOM 23263 N LEU D 287 -20.757 26.630 8.863 1.00 1.00 N -ATOM 23264 CA LEU D 287 -21.304 25.443 8.196 1.00 1.00 C -ATOM 23269 C LEU D 287 -21.667 24.393 9.239 1.00 1.00 C -ATOM 23270 O LEU D 287 -22.101 23.286 8.908 1.00 1.00 O -ATOM 23265 CB LEU D 287 -20.314 24.837 7.193 1.00 1.00 C -ATOM 23266 CG LEU D 287 -19.885 25.545 5.899 1.00 1.00 C -ATOM 23267 CD1 LEU D 287 -20.807 26.696 5.531 1.00 1.00 C -ATOM 23268 CD2 LEU D 287 -18.457 26.044 6.006 1.00 1.00 C -ATOM 23271 N ASN D 288 -21.485 24.766 10.503 1.00 1.00 N -ATOM 23272 CA ASN D 288 -21.651 23.857 11.631 1.00 1.00 C -ATOM 23277 C ASN D 288 -22.990 23.131 11.707 1.00 1.00 C -ATOM 23278 O ASN D 288 -23.372 22.633 12.778 1.00 1.00 O -ATOM 23273 CB ASN D 288 -21.361 24.569 12.959 1.00 1.00 C -ATOM 23274 CG ASN D 288 -20.032 24.149 13.569 1.00 1.00 C -ATOM 23276 ND2 ASN D 288 -18.929 24.509 12.911 1.00 1.00 N -ATOM 23275 OD1 ASN D 288 -20.000 23.497 14.617 1.00 1.00 O -ATOM 23279 N ASP D 289 -23.704 23.067 10.587 1.00 1.00 N -ATOM 23280 CA ASP D 289 -24.832 22.157 10.523 1.00 1.00 C -ATOM 23285 C ASP D 289 -24.661 21.071 9.459 1.00 1.00 C -ATOM 23286 O ASP D 289 -23.941 21.236 8.468 1.00 1.00 O -ATOM 23281 CB ASP D 289 -26.173 22.898 10.406 1.00 1.00 C -ATOM 23282 CG ASP D 289 -26.229 23.818 9.216 1.00 1.00 C -ATOM 23283 OD1 ASP D 289 -25.361 23.681 8.331 1.00 1.00 O -ATOM 23284 OD2 ASP D 289 -27.144 24.673 9.163 1.00 1.00 O -ATOM 23287 N GLN D 290 -25.315 19.947 9.720 1.00 1.00 N -ATOM 23288 CA GLN D 290 -25.391 18.816 8.814 1.00 1.00 C -ATOM 23294 C GLN D 290 -26.201 19.194 7.581 1.00 1.00 C -ATOM 23295 O GLN D 290 -26.498 18.348 6.733 1.00 1.00 O -ATOM 23289 CB GLN D 290 -26.098 17.680 9.537 1.00 1.00 C -ATOM 23290 CG GLN D 290 -27.489 18.083 10.002 1.00 1.00 C -ATOM 23291 CD GLN D 290 -27.767 17.678 11.437 1.00 1.00 C -ATOM 23293 NE2 GLN D 290 -26.784 17.044 12.076 1.00 1.00 N -ATOM 23292 OE1 GLN D 290 -28.852 17.939 11.972 1.00 1.00 O -ATOM 23296 N HIS D 291 -26.574 20.469 7.508 1.00 1.00 N -ATOM 23297 CA HIS D 291 -27.339 21.006 6.391 1.00 1.00 C -ATOM 23304 C HIS D 291 -26.431 21.265 5.186 1.00 1.00 C -ATOM 23305 O HIS D 291 -26.877 21.255 4.036 1.00 1.00 O -ATOM 23298 CB HIS D 291 -28.002 22.315 6.817 1.00 1.00 C -ATOM 23299 CG HIS D 291 -29.342 22.544 6.194 1.00 1.00 C -ATOM 23303 CD2 HIS D 291 -30.474 23.092 6.695 1.00 1.00 C -ATOM 23300 ND1 HIS D 291 -29.628 22.200 4.889 1.00 1.00 N -ATOM 23301 CE1 HIS D 291 -30.880 22.519 4.616 1.00 1.00 C -ATOM 23302 NE2 HIS D 291 -31.416 23.063 5.695 1.00 1.00 N -ATOM 23306 N LEU D 292 -25.152 21.495 5.468 1.00 1.00 N -ATOM 23307 CA LEU D 292 -24.200 21.911 4.452 1.00 1.00 C -ATOM 23312 C LEU D 292 -23.211 20.791 4.129 1.00 1.00 C -ATOM 23313 O LEU D 292 -22.219 21.002 3.433 1.00 1.00 O -ATOM 23308 CB LEU D 292 -23.474 23.186 4.907 1.00 1.00 C -ATOM 23309 CG LEU D 292 -24.423 24.312 5.347 1.00 1.00 C -ATOM 23310 CD1 LEU D 292 -23.694 25.438 6.022 1.00 1.00 C -ATOM 23311 CD2 LEU D 292 -25.214 24.845 4.166 1.00 1.00 C -ATOM 23314 N ALA D 293 -23.486 19.594 4.634 1.00 1.00 N -ATOM 23315 CA ALA D 293 -22.627 18.453 4.353 1.00 1.00 C -ATOM 23317 C ALA D 293 -23.453 17.196 4.132 1.00 1.00 C -ATOM 23318 O ALA D 293 -23.612 16.389 5.046 1.00 1.00 O -ATOM 23316 CB ALA D 293 -21.635 18.247 5.483 1.00 1.00 C -ATOM 23319 N PRO D 295 -24.018 17.052 2.925 1.00 1.00 N -ATOM 23320 CA PRO D 295 -24.748 15.865 2.468 1.00 1.00 C -ATOM 23324 C PRO D 295 -23.775 15.256 1.457 1.00 1.00 C -ATOM 23325 O PRO D 295 -24.034 14.561 0.521 1.00 1.00 O -ATOM 23321 CB PRO D 295 -26.011 16.483 1.839 1.00 1.00 C -ATOM 23322 CG PRO D 295 -25.768 18.047 1.838 1.00 1.00 C -ATOM 23323 CD PRO D 295 -24.291 18.196 2.046 1.00 1.00 C -ATOM 23326 N ILE D 304 -19.638 15.435 2.980 1.00 1.00 N -ATOM 23327 CA ILE D 304 -18.682 16.525 2.976 1.00 1.00 C -ATOM 23332 C ILE D 304 -19.066 17.848 2.328 1.00 1.00 C -ATOM 23333 O ILE D 304 -19.912 17.886 1.443 1.00 1.00 O -ATOM 23328 CB ILE D 304 -17.180 16.091 2.933 1.00 1.00 C -ATOM 23329 CG1 ILE D 304 -16.963 14.786 3.725 1.00 1.00 C -ATOM 23331 CG2 ILE D 304 -16.303 17.180 3.553 1.00 1.00 C -ATOM 23330 CD1 ILE D 304 -15.631 14.730 4.486 1.00 1.00 C -ATOM 23334 N ILE D 305 -18.458 18.926 2.826 1.00 1.00 N -ATOM 23335 CA ILE D 305 -18.976 20.294 2.674 1.00 1.00 C -ATOM 23340 C ILE D 305 -19.364 20.774 1.264 1.00 1.00 C -ATOM 23341 O ILE D 305 -18.554 20.779 0.332 1.00 1.00 O -ATOM 23336 CB ILE D 305 -18.054 21.355 3.363 1.00 1.00 C -ATOM 23337 CG1 ILE D 305 -16.911 21.793 2.438 1.00 1.00 C -ATOM 23339 CG2 ILE D 305 -17.530 20.825 4.694 1.00 1.00 C -ATOM 23338 CD1 ILE D 305 -16.048 22.909 3.012 1.00 1.00 C -ATOM 23342 N GLU D 306 -20.626 21.178 1.142 1.00 1.00 N -ATOM 23343 CA GLU D 306 -21.149 21.849 -0.041 1.00 1.00 C -ATOM 23349 C GLU D 306 -22.036 23.025 0.368 1.00 1.00 C -ATOM 23350 O GLU D 306 -23.055 22.849 1.040 1.00 1.00 O -ATOM 23344 CB GLU D 306 -21.951 20.877 -0.902 1.00 1.00 C -ATOM 23345 CG GLU D 306 -21.143 20.238 -2.015 1.00 1.00 C -ATOM 23346 CD GLU D 306 -22.027 19.630 -3.081 1.00 1.00 C -ATOM 23347 OE1 GLU D 306 -23.228 19.409 -2.806 1.00 1.00 O -ATOM 23348 OE2 GLU D 306 -21.521 19.374 -4.192 1.00 1.00 O -ATOM 23351 N PHE D 307 -21.649 24.228 -0.038 1.00 1.00 N -ATOM 23352 CA PHE D 307 -22.401 25.418 0.337 1.00 1.00 C -ATOM 23360 C PHE D 307 -22.425 26.426 -0.802 1.00 1.00 C -ATOM 23361 O PHE D 307 -21.564 26.385 -1.686 1.00 1.00 O -ATOM 23353 CB PHE D 307 -21.795 26.048 1.583 1.00 1.00 C -ATOM 23354 CG PHE D 307 -20.346 26.390 1.439 1.00 1.00 C -ATOM 23355 CD1 PHE D 307 -19.957 27.619 0.937 1.00 1.00 C -ATOM 23359 CD2 PHE D 307 -19.367 25.481 1.808 1.00 1.00 C -ATOM 23356 CE1 PHE D 307 -18.610 27.942 0.815 1.00 1.00 C -ATOM 23358 CE2 PHE D 307 -18.018 25.794 1.689 1.00 1.00 C -ATOM 23357 CZ PHE D 307 -17.640 27.028 1.197 1.00 1.00 C -ATOM 23362 N ALA D 308 -23.410 27.327 -0.777 1.00 1.00 N -ATOM 23363 CA ALA D 308 -23.644 28.261 -1.883 1.00 1.00 C -ATOM 23365 C ALA D 308 -24.121 29.628 -1.410 1.00 1.00 C -ATOM 23366 O ALA D 308 -24.955 29.720 -0.512 1.00 1.00 O -ATOM 23364 CB ALA D 308 -24.671 27.682 -2.839 1.00 1.00 C -ATOM 23367 N VAL D 309 -23.600 30.687 -2.026 1.00 1.00 N -ATOM 23368 CA VAL D 309 -24.133 32.027 -1.817 1.00 1.00 C -ATOM 23372 C VAL D 309 -25.564 32.053 -2.346 1.00 1.00 C -ATOM 23373 O VAL D 309 -25.855 31.489 -3.391 1.00 1.00 O -ATOM 23369 CB VAL D 309 -23.292 33.082 -2.534 1.00 1.00 C -ATOM 23370 CG1 VAL D 309 -23.961 34.455 -2.438 1.00 1.00 C -ATOM 23371 CG2 VAL D 309 -21.881 33.127 -1.954 1.00 1.00 C -ATOM 23374 N SER D 310 -26.470 32.680 -1.612 1.00 1.00 N -ATOM 23375 CA SER D 310 -27.881 32.626 -1.971 1.00 1.00 C -ATOM 23378 C SER D 310 -28.335 33.929 -2.597 1.00 1.00 C -ATOM 23379 O SER D 310 -29.297 33.965 -3.365 1.00 1.00 O -ATOM 23376 CB SER D 310 -28.738 32.327 -0.742 1.00 1.00 C -ATOM 23377 OG SER D 310 -30.109 32.237 -1.100 1.00 1.00 O -ATOM 23380 N LYS D 311 -27.633 35.004 -2.270 1.00 1.00 N -ATOM 23381 CA LYS D 311 -28.033 36.312 -2.728 1.00 1.00 C -ATOM 23387 C LYS D 311 -26.895 37.241 -2.403 1.00 1.00 C -ATOM 23388 O LYS D 311 -26.261 37.102 -1.352 1.00 1.00 O -ATOM 23382 CB LYS D 311 -29.304 36.769 -2.005 1.00 1.00 C -ATOM 23383 CG LYS D 311 -29.805 38.142 -2.428 1.00 1.00 C -ATOM 23384 CD LYS D 311 -30.711 38.025 -3.648 1.00 1.00 C -ATOM 23385 CE LYS D 311 -31.032 39.414 -4.213 1.00 1.00 C -ATOM 23386 NZ LYS D 311 -32.046 39.354 -5.320 1.00 1.00 N -ATOM 23389 N ILE D 312 -26.612 38.156 -3.326 1.00 1.00 N -ATOM 23390 CA ILE D 312 -25.618 39.180 -3.096 1.00 1.00 C -ATOM 23395 C ILE D 312 -26.273 40.488 -3.482 1.00 1.00 C -ATOM 23396 O ILE D 312 -26.843 40.613 -4.563 1.00 1.00 O -ATOM 23391 CB ILE D 312 -24.302 38.944 -3.893 1.00 1.00 C -ATOM 23392 CG1 ILE D 312 -23.291 40.055 -3.602 1.00 1.00 C -ATOM 23394 CG2 ILE D 312 -24.549 38.828 -5.407 1.00 1.00 C -ATOM 23393 CD1 ILE D 312 -21.850 39.623 -3.853 1.00 1.00 C -ATOM 23397 N ILE D 313 -26.241 41.454 -2.577 1.00 1.00 N -ATOM 23398 CA ILE D 313 -26.935 42.700 -2.838 1.00 1.00 C -ATOM 23403 C ILE D 313 -26.075 43.874 -2.404 1.00 1.00 C -ATOM 23404 O ILE D 313 -25.131 43.709 -1.624 1.00 1.00 O -ATOM 23399 CB ILE D 313 -28.363 42.716 -2.210 1.00 1.00 C -ATOM 23400 CG1 ILE D 313 -29.241 43.746 -2.922 1.00 1.00 C -ATOM 23402 CG2 ILE D 313 -28.310 42.939 -0.696 1.00 1.00 C -ATOM 23401 CD1 ILE D 313 -30.691 43.728 -2.478 1.00 1.00 C -ATOM 23405 N LYS D 314 -26.393 45.047 -2.940 1.00 1.00 N -ATOM 23406 CA LYS D 314 -25.569 46.231 -2.752 1.00 1.00 C -ATOM 23412 C LYS D 314 -26.288 47.315 -1.958 1.00 1.00 C -ATOM 23413 O LYS D 314 -27.495 47.526 -2.109 1.00 1.00 O -ATOM 23407 CB LYS D 314 -25.160 46.792 -4.120 1.00 1.00 C -ATOM 23408 CG LYS D 314 -23.740 47.337 -4.169 1.00 1.00 C -ATOM 23409 CD LYS D 314 -23.675 48.853 -4.339 1.00 1.00 C -ATOM 23410 CE LYS D 314 -24.172 49.300 -5.718 1.00 1.00 C -ATOM 23411 NZ LYS D 314 -25.672 49.403 -5.804 1.00 1.00 N -ATOM 23414 N SER D 315 -25.538 48.000 -1.109 1.00 1.00 N -ATOM 23415 CA SER D 315 -26.022 49.221 -0.504 1.00 1.00 C -ATOM 23418 C SER D 315 -26.218 50.248 -1.628 1.00 1.00 C -ATOM 23419 O SER D 315 -25.550 50.181 -2.650 1.00 1.00 O -ATOM 23416 CB SER D 315 -25.005 49.713 0.523 1.00 1.00 C -ATOM 23417 OG SER D 315 -25.335 51.005 0.994 1.00 1.00 O -ATOM 23420 N LYS D 316 -27.135 51.192 -1.445 1.00 1.00 N -ATOM 23421 CA LYS D 316 -27.469 52.146 -2.502 1.00 1.00 C -ATOM 23427 C LYS D 316 -26.468 53.289 -2.657 1.00 1.00 C -ATOM 23428 O LYS D 316 -26.156 53.689 -3.777 1.00 1.00 O -ATOM 23422 CB LYS D 316 -28.881 52.710 -2.301 1.00 1.00 C -ATOM 23423 CG LYS D 316 -29.417 53.476 -3.501 1.00 1.00 C -ATOM 23424 CD LYS D 316 -30.895 53.157 -3.725 1.00 1.00 C -ATOM 23425 CE LYS D 316 -31.117 51.655 -3.976 1.00 1.00 C -ATOM 23426 NZ LYS D 316 -31.402 50.872 -2.722 1.00 1.00 N -ATOM 23429 N ASN D 317 -25.960 53.818 -1.549 1.00 1.00 N -ATOM 23430 CA ASN D 317 -25.039 54.944 -1.642 1.00 1.00 C -ATOM 23435 C ASN D 317 -23.667 54.640 -1.073 1.00 1.00 C -ATOM 23436 O ASN D 317 -22.654 55.161 -1.549 1.00 1.00 O -ATOM 23431 CB ASN D 317 -25.634 56.179 -0.985 1.00 1.00 C -ATOM 23432 CG ASN D 317 -26.991 56.536 -1.563 1.00 1.00 C -ATOM 23434 ND2 ASN D 317 -28.021 56.484 -0.728 1.00 1.00 N -ATOM 23433 OD1 ASN D 317 -27.112 56.850 -2.751 1.00 1.00 O -ATOM 23437 N LEU D 318 -23.635 53.780 -0.066 1.00 1.00 N -ATOM 23438 CA LEU D 318 -22.375 53.388 0.541 1.00 1.00 C -ATOM 23443 C LEU D 318 -21.711 52.296 -0.290 1.00 1.00 C -ATOM 23444 O LEU D 318 -22.382 51.544 -0.998 1.00 1.00 O -ATOM 23439 CB LEU D 318 -22.602 52.910 1.979 1.00 1.00 C -ATOM 23440 CG LEU D 318 -23.319 53.968 2.826 1.00 1.00 C -ATOM 23441 CD1 LEU D 318 -23.488 53.497 4.267 1.00 1.00 C -ATOM 23442 CD2 LEU D 318 -22.580 55.314 2.761 1.00 1.00 C -ATOM 23445 N PRO D 319 -20.382 52.206 -0.193 1.00 1.00 N -ATOM 23446 CA PRO D 319 -19.558 51.232 -0.904 1.00 1.00 C -ATOM 23450 C PRO D 319 -19.602 49.877 -0.212 1.00 1.00 C -ATOM 23451 O PRO D 319 -18.548 49.317 0.105 1.00 1.00 O -ATOM 23447 CB PRO D 319 -18.157 51.825 -0.778 1.00 1.00 C -ATOM 23448 CG PRO D 319 -18.183 52.569 0.522 1.00 1.00 C -ATOM 23449 CD PRO D 319 -19.603 52.997 0.778 1.00 1.00 C -ATOM 23452 N PHE D 320 -20.802 49.353 0.022 1.00 1.00 N -ATOM 23453 CA PHE D 320 -20.928 48.075 0.726 1.00 1.00 C -ATOM 23461 C PHE D 320 -21.792 47.043 0.010 1.00 1.00 C -ATOM 23462 O PHE D 320 -22.786 47.382 -0.655 1.00 1.00 O -ATOM 23454 CB PHE D 320 -21.416 48.289 2.163 1.00 1.00 C -ATOM 23455 CG PHE D 320 -20.470 49.112 2.997 1.00 1.00 C -ATOM 23456 CD1 PHE D 320 -19.213 48.623 3.330 1.00 1.00 C -ATOM 23460 CD2 PHE D 320 -20.825 50.382 3.430 1.00 1.00 C -ATOM 23457 CE1 PHE D 320 -18.332 49.388 4.094 1.00 1.00 C -ATOM 23459 CE2 PHE D 320 -19.952 51.149 4.195 1.00 1.00 C -ATOM 23458 CZ PHE D 320 -18.704 50.651 4.528 1.00 1.00 C -ATOM 23463 N VAL D 321 -21.400 45.782 0.164 1.00 1.00 N -ATOM 23464 CA VAL D 321 -22.110 44.673 -0.434 1.00 1.00 C -ATOM 23468 C VAL D 321 -22.349 43.634 0.625 1.00 1.00 C -ATOM 23469 O VAL D 321 -21.457 43.334 1.421 1.00 1.00 O -ATOM 23465 CB VAL D 321 -21.293 44.019 -1.581 1.00 1.00 C -ATOM 23466 CG1 VAL D 321 -21.748 42.588 -1.811 1.00 1.00 C -ATOM 23467 CG2 VAL D 321 -21.446 44.820 -2.829 1.00 1.00 C -ATOM 23470 N ALA D 322 -23.554 43.079 0.639 1.00 1.00 N -ATOM 23471 CA ALA D 322 -23.866 42.035 1.597 1.00 1.00 C -ATOM 23473 C ALA D 322 -24.278 40.786 0.847 1.00 1.00 C -ATOM 23474 O ALA D 322 -24.828 40.860 -0.253 1.00 1.00 O -ATOM 23472 CB ALA D 322 -24.971 42.484 2.538 1.00 1.00 C -ATOM 23475 N PHE D 323 -23.999 39.634 1.432 1.00 1.00 N -ATOM 23476 CA PHE D 323 -24.540 38.402 0.894 1.00 1.00 C -ATOM 23484 C PHE D 323 -24.699 37.399 2.012 1.00 1.00 C -ATOM 23485 O PHE D 323 -24.164 37.584 3.106 1.00 1.00 O -ATOM 23477 CB PHE D 323 -23.640 37.839 -0.227 1.00 1.00 C -ATOM 23478 CG PHE D 323 -22.287 37.399 0.247 1.00 1.00 C -ATOM 23479 CD1 PHE D 323 -21.261 38.318 0.413 1.00 1.00 C -ATOM 23483 CD2 PHE D 323 -22.041 36.067 0.535 1.00 1.00 C -ATOM 23480 CE1 PHE D 323 -20.012 37.911 0.853 1.00 1.00 C -ATOM 23482 CE2 PHE D 323 -20.785 35.647 0.967 1.00 1.00 C -ATOM 23481 CZ PHE D 323 -19.774 36.561 1.124 1.00 1.00 C -ATOM 23486 N PHE D 324 -25.428 36.330 1.738 1.00 1.00 N -ATOM 23487 CA PHE D 324 -25.471 35.239 2.684 1.00 1.00 C -ATOM 23495 C PHE D 324 -25.373 33.871 2.023 1.00 1.00 C -ATOM 23496 O PHE D 324 -25.774 33.673 0.874 1.00 1.00 O -ATOM 23488 CB PHE D 324 -26.702 35.335 3.587 1.00 1.00 C -ATOM 23489 CG PHE D 324 -27.986 34.910 2.937 1.00 1.00 C -ATOM 23490 CD1 PHE D 324 -28.467 33.618 3.107 1.00 1.00 C -ATOM 23494 CD2 PHE D 324 -28.742 35.814 2.195 1.00 1.00 C -ATOM 23491 CE1 PHE D 324 -29.681 33.214 2.534 1.00 1.00 C -ATOM 23493 CE2 PHE D 324 -29.960 35.420 1.619 1.00 1.00 C -ATOM 23492 CZ PHE D 324 -30.425 34.113 1.787 1.00 1.00 C -ATOM 23497 N VAL D 325 -24.821 32.933 2.778 1.00 1.00 N -ATOM 23498 CA VAL D 325 -24.716 31.547 2.370 1.00 1.00 C -ATOM 23502 C VAL D 325 -25.880 30.826 3.007 1.00 1.00 C -ATOM 23503 O VAL D 325 -26.107 30.974 4.204 1.00 1.00 O -ATOM 23499 CB VAL D 325 -23.413 30.950 2.913 1.00 1.00 C -ATOM 23500 CG1 VAL D 325 -23.286 29.478 2.523 1.00 1.00 C -ATOM 23501 CG2 VAL D 325 -22.222 31.789 2.431 1.00 1.00 C -ATOM 23504 N GLU D 326 -26.645 30.067 2.233 1.00 1.00 N -ATOM 23505 CA GLU D 326 -27.688 29.261 2.852 1.00 1.00 C -ATOM 23511 C GLU D 326 -26.998 27.990 3.327 1.00 1.00 C -ATOM 23512 O GLU D 326 -25.987 27.615 2.738 1.00 1.00 O -ATOM 23506 CB GLU D 326 -28.808 28.963 1.849 1.00 1.00 C -ATOM 23507 CG GLU D 326 -28.690 27.656 1.079 1.00 1.00 C -ATOM 23508 CD GLU D 326 -30.014 27.225 0.449 1.00 1.00 C -ATOM 23509 OE1 GLU D 326 -30.166 26.015 0.134 1.00 1.00 O -ATOM 23510 OE2 GLU D 326 -30.899 28.097 0.275 1.00 1.00 O -ATOM 23513 N ALA D 327 -27.438 27.355 4.415 1.00 1.00 N -ATOM 23514 CA ALA D 327 -28.292 27.914 5.452 1.00 1.00 C -ATOM 23516 C ALA D 327 -27.363 28.190 6.623 1.00 1.00 C -ATOM 23517 O ALA D 327 -26.969 27.272 7.333 1.00 1.00 O -ATOM 23515 CB ALA D 327 -29.319 26.896 5.870 1.00 1.00 C -ATOM 23518 N THR D 328 -26.973 29.445 6.784 1.00 1.00 N -ATOM 23519 CA THR D 328 -26.096 29.856 7.871 1.00 1.00 C -ATOM 23523 C THR D 328 -26.738 31.041 8.618 1.00 1.00 C -ATOM 23524 O THR D 328 -27.709 31.642 8.144 1.00 1.00 O -ATOM 23520 CB THR D 328 -24.676 30.223 7.356 1.00 1.00 C -ATOM 23522 CG2 THR D 328 -24.052 29.053 6.596 1.00 1.00 C -ATOM 23521 OG1 THR D 328 -24.752 31.352 6.480 1.00 1.00 O -ATOM 23525 N LYS D 329 -26.205 31.369 9.787 1.00 1.00 N -ATOM 23526 CA LYS D 329 -26.824 32.386 10.634 1.00 1.00 C -ATOM 23532 C LYS D 329 -26.087 33.704 10.536 1.00 1.00 C -ATOM 23533 O LYS D 329 -26.010 34.450 11.511 1.00 1.00 O -ATOM 23527 CB LYS D 329 -26.835 31.938 12.094 1.00 1.00 C -ATOM 23528 CG LYS D 329 -27.491 30.590 12.346 1.00 1.00 C -ATOM 23529 CD LYS D 329 -27.438 30.249 13.837 1.00 1.00 C -ATOM 23530 CE LYS D 329 -27.435 28.741 14.098 1.00 1.00 C -ATOM 23531 NZ LYS D 329 -28.773 28.127 13.896 1.00 1.00 N -ATOM 23534 N CYS D 330 -25.523 34.001 9.373 1.00 1.00 N -ATOM 23535 CA CYS D 330 -24.886 35.300 9.221 1.00 1.00 C -ATOM 23538 C CYS D 330 -25.197 35.920 7.883 1.00 1.00 C -ATOM 23539 O CYS D 330 -25.904 35.336 7.071 1.00 1.00 O -ATOM 23536 CB CYS D 330 -23.368 35.219 9.444 1.00 1.00 C -ATOM 23537 SG CYS D 330 -22.506 34.036 8.405 1.00 1.00 S -ATOM 23540 N ILE D 331 -24.714 37.142 7.711 1.00 1.00 N -ATOM 23541 CA ILE D 331 -24.565 37.773 6.422 1.00 1.00 C -ATOM 23546 C ILE D 331 -23.149 38.311 6.469 1.00 1.00 C -ATOM 23547 O ILE D 331 -22.666 38.690 7.542 1.00 1.00 O -ATOM 23542 CB ILE D 331 -25.540 38.949 6.195 1.00 1.00 C -ATOM 23543 CG1 ILE D 331 -25.269 40.079 7.185 1.00 1.00 C -ATOM 23545 CG2 ILE D 331 -26.992 38.483 6.290 1.00 1.00 C -ATOM 23544 CD1 ILE D 331 -25.959 41.377 6.828 1.00 1.00 C -ATOM 23548 N ILE D 332 -22.470 38.312 5.325 1.00 1.00 N -ATOM 23549 CA ILE D 332 -21.119 38.831 5.265 1.00 1.00 C -ATOM 23554 C ILE D 332 -21.114 40.124 4.455 1.00 1.00 C -ATOM 23555 O ILE D 332 -21.748 40.215 3.395 1.00 1.00 O -ATOM 23550 CB ILE D 332 -20.167 37.802 4.650 1.00 1.00 C -ATOM 23551 CG1 ILE D 332 -20.048 36.596 5.576 1.00 1.00 C -ATOM 23553 CG2 ILE D 332 -18.801 38.416 4.394 1.00 1.00 C -ATOM 23552 CD1 ILE D 332 -19.423 35.395 4.904 1.00 1.00 C -ATOM 23556 N ILE D 333 -20.410 41.128 4.960 1.00 1.00 N -ATOM 23557 CA ILE D 333 -20.420 42.448 4.337 1.00 1.00 C -ATOM 23562 C ILE D 333 -19.019 42.837 3.874 1.00 1.00 C -ATOM 23563 O ILE D 333 -18.095 42.930 4.676 1.00 1.00 O -ATOM 23558 CB ILE D 333 -20.956 43.535 5.300 1.00 1.00 C -ATOM 23559 CG1 ILE D 333 -22.400 43.238 5.695 1.00 1.00 C -ATOM 23561 CG2 ILE D 333 -20.842 44.915 4.658 1.00 1.00 C -ATOM 23560 CD1 ILE D 333 -22.970 44.243 6.679 1.00 1.00 C -ATOM 23564 N LEU D 334 -18.867 43.046 2.573 1.00 1.00 N -ATOM 23565 CA LEU D 334 -17.596 43.463 2.014 1.00 1.00 C -ATOM 23570 C LEU D 334 -17.718 44.911 1.600 1.00 1.00 C -ATOM 23571 O LEU D 334 -18.831 45.402 1.373 1.00 1.00 O -ATOM 23566 CB LEU D 334 -17.283 42.639 0.780 1.00 1.00 C -ATOM 23567 CG LEU D 334 -17.735 41.189 0.847 1.00 1.00 C -ATOM 23568 CD1 LEU D 334 -17.542 40.526 -0.512 1.00 1.00 C -ATOM 23569 CD2 LEU D 334 -16.970 40.461 1.948 1.00 1.00 C -ATOM 23572 N GLU D 335 -16.587 45.604 1.488 1.00 1.00 N -ATOM 23573 CA GLU D 335 -16.624 46.913 0.838 1.00 1.00 C -ATOM 23579 C GLU D 335 -15.874 47.002 -0.492 1.00 1.00 C -ATOM 23580 O GLU D 335 -14.793 46.434 -0.683 1.00 1.00 O -ATOM 23574 CB GLU D 335 -16.256 48.065 1.778 1.00 1.00 C -ATOM 23575 CG GLU D 335 -14.824 48.131 2.234 1.00 1.00 C -ATOM 23576 CD GLU D 335 -14.568 49.378 3.064 1.00 1.00 C -ATOM 23577 OE1 GLU D 335 -14.935 50.483 2.597 1.00 1.00 O -ATOM 23578 OE2 GLU D 335 -14.009 49.251 4.179 1.00 1.00 O -ATOM 23581 N MET D 336 -16.500 47.709 -1.417 1.00 1.00 N -ATOM 23582 CA MET D 336 -15.944 47.937 -2.727 1.00 1.00 C -ATOM 23587 C MET D 336 -14.849 48.978 -2.636 1.00 1.00 C -ATOM 23588 O MET D 336 -15.053 50.036 -2.053 1.00 1.00 O -ATOM 23583 CB MET D 336 -17.060 48.391 -3.666 1.00 1.00 C -ATOM 23584 CG MET D 336 -17.765 47.225 -4.360 1.00 1.00 C -ATOM 23585 SD MET D 336 -19.575 47.226 -4.312 1.00 1.00 S -ATOM 23586 CE MET D 336 -19.917 48.893 -3.729 1.00 1.00 C -ATOM 23589 N SER D 337 -13.683 48.660 -3.199 1.00 1.00 N -ATOM 23590 CA SER D 337 -12.556 49.592 -3.239 1.00 1.00 C -ATOM 23593 C SER D 337 -12.900 50.811 -4.092 1.00 1.00 C -ATOM 23594 O SER D 337 -13.401 50.686 -5.208 1.00 1.00 O -ATOM 23591 CB SER D 337 -11.284 48.903 -3.771 1.00 1.00 C -ATOM 23592 OG SER D 337 -10.212 49.823 -3.953 1.00 1.00 O -ATOM 23595 N GLU D 338 -12.644 51.991 -3.551 1.00 1.00 N -ATOM 23596 CA GLU D 338 -12.871 53.229 -4.272 1.00 1.00 C -ATOM 23602 C GLU D 338 -11.623 53.586 -5.060 1.00 1.00 C -ATOM 23603 O GLU D 338 -11.643 54.490 -5.902 1.00 1.00 O -ATOM 23597 CB GLU D 338 -13.196 54.337 -3.278 1.00 1.00 C -ATOM 23598 CG GLU D 338 -12.669 54.039 -1.877 1.00 1.00 C -ATOM 23599 CD GLU D 338 -12.649 55.255 -0.967 1.00 1.00 C -ATOM 23600 OE1 GLU D 338 -13.677 55.966 -0.876 1.00 1.00 O -ATOM 23601 OE2 GLU D 338 -11.595 55.494 -0.335 1.00 1.00 O -ATOM 23604 N LYS D 339 -10.537 52.867 -4.775 1.00 1.00 N -ATOM 23605 CA LYS D 339 -9.253 53.096 -5.442 1.00 1.00 C -ATOM 23611 C LYS D 339 -9.133 52.242 -6.709 1.00 1.00 C -ATOM 23612 O LYS D 339 -8.903 52.765 -7.796 1.00 1.00 O -ATOM 23606 CB LYS D 339 -8.081 52.811 -4.489 1.00 1.00 C -ATOM 23607 CG LYS D 339 -7.953 53.771 -3.308 1.00 1.00 C -ATOM 23608 CD LYS D 339 -7.527 55.160 -3.758 1.00 1.00 C -ATOM 23609 CE LYS D 339 -7.483 56.145 -2.586 1.00 1.00 C -ATOM 23610 NZ LYS D 339 -6.470 55.780 -1.545 1.00 1.00 N -ATOM 23613 N GLN D 340 -9.293 50.929 -6.557 1.00 1.00 N -ATOM 23614 CA GLN D 340 -9.290 49.995 -7.688 1.00 1.00 C -ATOM 23620 C GLN D 340 -10.639 49.285 -7.839 1.00 1.00 C -ATOM 23621 O GLN D 340 -10.983 48.393 -7.046 1.00 1.00 O -ATOM 23615 CB GLN D 340 -8.159 48.959 -7.560 1.00 1.00 C -ATOM 23616 CG GLN D 340 -6.961 49.218 -8.479 1.00 1.00 C -ATOM 23617 CD GLN D 340 -6.285 50.550 -8.190 1.00 1.00 C -ATOM 23619 NE2 GLN D 340 -6.051 51.334 -9.240 1.00 1.00 N -ATOM 23618 OE1 GLN D 340 -5.978 50.871 -7.036 1.00 1.00 O -ATOM 23622 N LYS D 341 -11.390 49.681 -8.865 1.00 1.00 N -ATOM 23623 CA LYS D 341 -12.718 49.127 -9.127 1.00 1.00 C -ATOM 23629 C LYS D 341 -12.696 47.603 -9.173 1.00 1.00 C -ATOM 23630 O LYS D 341 -11.900 47.009 -9.903 1.00 1.00 O -ATOM 23624 CB LYS D 341 -13.281 49.682 -10.442 1.00 1.00 C -ATOM 23625 CG LYS D 341 -14.714 49.260 -10.727 1.00 1.00 C -ATOM 23626 CD LYS D 341 -15.229 49.834 -12.043 1.00 1.00 C -ATOM 23627 CE LYS D 341 -14.647 49.096 -13.246 1.00 1.00 C -ATOM 23628 NZ LYS D 341 -14.963 49.771 -14.551 1.00 1.00 N -ATOM 23631 N GLY D 342 -13.564 46.979 -8.382 1.00 1.00 N -ATOM 23632 CA GLY D 342 -13.693 45.532 -8.380 1.00 1.00 C -ATOM 23633 C GLY D 342 -13.013 44.865 -7.204 1.00 1.00 C -ATOM 23634 O GLY D 342 -13.248 43.695 -6.919 1.00 1.00 O -ATOM 23635 N ASP D 343 -12.162 45.610 -6.514 1.00 1.00 N -ATOM 23636 CA ASP D 343 -11.463 45.056 -5.365 1.00 1.00 C -ATOM 23641 C ASP D 343 -12.395 44.975 -4.164 1.00 1.00 C -ATOM 23642 O ASP D 343 -13.087 45.941 -3.841 1.00 1.00 O -ATOM 23637 CB ASP D 343 -10.226 45.896 -5.036 1.00 1.00 C -ATOM 23638 CG ASP D 343 -8.987 45.420 -5.769 1.00 1.00 C -ATOM 23639 OD1 ASP D 343 -9.055 44.364 -6.442 1.00 1.00 O -ATOM 23640 OD2 ASP D 343 -7.941 46.097 -5.661 1.00 1.00 O -ATOM 23643 N LEU D 344 -12.415 43.822 -3.505 1.00 1.00 N -ATOM 23644 CA LEU D 344 -13.280 43.637 -2.350 1.00 1.00 C -ATOM 23649 C LEU D 344 -12.458 43.337 -1.101 1.00 1.00 C -ATOM 23650 O LEU D 344 -11.391 42.727 -1.184 1.00 1.00 O -ATOM 23645 CB LEU D 344 -14.295 42.513 -2.609 1.00 1.00 C -ATOM 23646 CG LEU D 344 -15.220 42.682 -3.821 1.00 1.00 C -ATOM 23647 CD1 LEU D 344 -15.582 41.323 -4.441 1.00 1.00 C -ATOM 23648 CD2 LEU D 344 -16.465 43.487 -3.461 1.00 1.00 C -ATOM 23651 N ALA D 345 -12.963 43.779 0.048 1.00 1.00 N -ATOM 23652 CA ALA D 345 -12.346 43.476 1.332 1.00 1.00 C -ATOM 23654 C ALA D 345 -13.439 43.272 2.380 1.00 1.00 C -ATOM 23655 O ALA D 345 -14.482 43.923 2.322 1.00 1.00 O -ATOM 23653 CB ALA D 345 -11.409 44.601 1.744 1.00 1.00 C -ATOM 23656 N LEU D 346 -13.210 42.360 3.321 1.00 1.00 N -ATOM 23657 CA LEU D 346 -14.208 42.088 4.341 1.00 1.00 C -ATOM 23662 C LEU D 346 -14.397 43.332 5.184 1.00 1.00 C -ATOM 23663 O LEU D 346 -13.432 44.038 5.478 1.00 1.00 O -ATOM 23658 CB LEU D 346 -13.792 40.913 5.219 1.00 1.00 C -ATOM 23659 CG LEU D 346 -14.618 40.725 6.490 1.00 1.00 C -ATOM 23660 CD1 LEU D 346 -16.057 40.292 6.174 1.00 1.00 C -ATOM 23661 CD2 LEU D 346 -13.936 39.715 7.410 1.00 1.00 C -ATOM 23664 N LYS D 347 -15.646 43.611 5.544 1.00 1.00 N -ATOM 23665 CA LYS D 347 -15.969 44.786 6.345 1.00 1.00 C -ATOM 23671 C LYS D 347 -16.579 44.366 7.669 1.00 1.00 C -ATOM 23672 O LYS D 347 -16.355 45.013 8.695 1.00 1.00 O -ATOM 23666 CB LYS D 347 -16.936 45.709 5.607 1.00 1.00 C -ATOM 23667 CG LYS D 347 -16.812 47.177 5.991 1.00 1.00 C -ATOM 23668 CD LYS D 347 -17.449 47.483 7.338 1.00 1.00 C -ATOM 23669 CE LYS D 347 -17.552 49.001 7.570 1.00 1.00 C -ATOM 23670 NZ LYS D 347 -16.236 49.689 7.819 1.00 1.00 N -ATOM 23673 N GLN D 348 -17.328 43.269 7.651 1.00 1.00 N -ATOM 23674 CA GLN D 348 -18.062 42.876 8.825 1.00 1.00 C -ATOM 23680 C GLN D 348 -18.783 41.566 8.592 1.00 1.00 C -ATOM 23681 O GLN D 348 -19.060 41.196 7.451 1.00 1.00 O -ATOM 23675 CB GLN D 348 -19.081 43.968 9.155 1.00 1.00 C -ATOM 23676 CG GLN D 348 -19.444 44.076 10.608 1.00 1.00 C -ATOM 23677 CD GLN D 348 -20.404 45.216 10.867 1.00 1.00 C -ATOM 23679 NE2 GLN D 348 -21.216 45.082 11.908 1.00 1.00 N -ATOM 23678 OE1 GLN D 348 -20.417 46.209 10.136 1.00 1.00 O -ATOM 23682 N ILE D 349 -19.080 40.867 9.682 1.00 1.00 N -ATOM 23683 CA ILE D 349 -19.945 39.699 9.638 1.00 1.00 C -ATOM 23688 C ILE D 349 -21.017 39.894 10.703 1.00 1.00 C -ATOM 23689 O ILE D 349 -20.724 40.296 11.830 1.00 1.00 O -ATOM 23684 CB ILE D 349 -19.174 38.409 9.923 1.00 1.00 C -ATOM 23685 CG1 ILE D 349 -18.108 38.189 8.849 1.00 1.00 C -ATOM 23687 CG2 ILE D 349 -20.126 37.218 10.006 1.00 1.00 C -ATOM 23686 CD1 ILE D 349 -17.451 36.831 8.924 1.00 1.00 C -ATOM 23690 N ILE D 350 -22.267 39.631 10.351 1.00 1.00 N -ATOM 23691 CA ILE D 350 -23.350 39.829 11.296 1.00 1.00 C -ATOM 23696 C ILE D 350 -24.088 38.515 11.515 1.00 1.00 C -ATOM 23697 O ILE D 350 -24.597 37.907 10.574 1.00 1.00 O -ATOM 23692 CB ILE D 350 -24.315 40.947 10.841 1.00 1.00 C -ATOM 23693 CG1 ILE D 350 -23.544 42.247 10.619 1.00 1.00 C -ATOM 23695 CG2 ILE D 350 -25.375 41.191 11.879 1.00 1.00 C -ATOM 23694 CD1 ILE D 350 -24.418 43.455 10.305 1.00 1.00 C -ATOM 23698 N THR D 351 -24.131 38.094 12.778 1.00 1.00 N -ATOM 23699 CA THR D 351 -24.684 36.811 13.180 1.00 1.00 C -ATOM 23703 C THR D 351 -26.056 36.983 13.801 1.00 1.00 C -ATOM 23704 O THR D 351 -26.315 37.994 14.433 1.00 1.00 O -ATOM 23700 CB THR D 351 -23.772 36.135 14.204 1.00 1.00 C -ATOM 23702 CG2 THR D 351 -24.365 34.788 14.641 1.00 1.00 C -ATOM 23701 OG1 THR D 351 -22.477 35.929 13.618 1.00 1.00 O -ATOM 23705 N PHE D 352 -26.925 35.991 13.617 1.00 1.00 N -ATOM 23706 CA PHE D 352 -28.309 36.066 14.060 1.00 1.00 C -ATOM 23714 C PHE D 352 -28.697 34.775 14.767 1.00 1.00 C -ATOM 23715 O PHE D 352 -28.007 33.757 14.645 1.00 1.00 O -ATOM 23707 CB PHE D 352 -29.266 36.293 12.879 1.00 1.00 C -ATOM 23708 CG PHE D 352 -28.876 37.432 11.979 1.00 1.00 C -ATOM 23709 CD1 PHE D 352 -28.070 37.211 10.868 1.00 1.00 C -ATOM 23713 CD2 PHE D 352 -29.335 38.715 12.228 1.00 1.00 C -ATOM 23710 CE1 PHE D 352 -27.717 38.256 10.038 1.00 1.00 C -ATOM 23712 CE2 PHE D 352 -28.988 39.765 11.398 1.00 1.00 C -ATOM 23711 CZ PHE D 352 -28.185 39.537 10.300 1.00 1.00 C -ATOM 23716 N PRO D 353 -29.813 34.808 15.511 1.00 1.00 N -ATOM 23717 CA PRO D 353 -30.208 33.634 16.302 1.00 1.00 C -ATOM 23721 C PRO D 353 -30.675 32.485 15.422 1.00 1.00 C -ATOM 23722 O PRO D 353 -30.805 31.356 15.898 1.00 1.00 O -ATOM 23718 CB PRO D 353 -31.380 34.144 17.157 1.00 1.00 C -ATOM 23719 CG PRO D 353 -31.350 35.666 17.012 1.00 1.00 C -ATOM 23720 CD PRO D 353 -30.735 35.948 15.691 1.00 1.00 C -ATOM 23723 N TYR D 354 -30.941 32.771 14.156 1.00 1.00 N -ATOM 23724 CA TYR D 354 -31.400 31.734 13.242 1.00 1.00 C -ATOM 23733 C TYR D 354 -30.711 31.840 11.881 1.00 1.00 C -ATOM 23734 O TYR D 354 -29.951 32.780 11.620 1.00 1.00 O -ATOM 23725 CB TYR D 354 -32.917 31.804 13.046 1.00 1.00 C -ATOM 23726 CG TYR D 354 -33.737 31.641 14.294 1.00 1.00 C -ATOM 23727 CD1 TYR D 354 -33.971 30.383 14.835 1.00 1.00 C -ATOM 23732 CD2 TYR D 354 -34.313 32.740 14.915 1.00 1.00 C -ATOM 23728 CE1 TYR D 354 -34.743 30.225 15.976 1.00 1.00 C -ATOM 23731 CE2 TYR D 354 -35.083 32.595 16.048 1.00 1.00 C -ATOM 23729 CZ TYR D 354 -35.294 31.332 16.581 1.00 1.00 C -ATOM 23730 OH TYR D 354 -36.061 31.173 17.724 1.00 1.00 O -ATOM 23735 N ASN D 355 -30.985 30.865 11.019 1.00 1.00 N -ATOM 23736 CA ASN D 355 -30.527 30.904 9.636 1.00 1.00 C -ATOM 23741 C ASN D 355 -31.118 32.106 8.903 1.00 1.00 C -ATOM 23742 O ASN D 355 -32.320 32.388 9.028 1.00 1.00 O -ATOM 23737 CB ASN D 355 -30.975 29.635 8.914 1.00 1.00 C -ATOM 23738 CG ASN D 355 -30.101 28.435 9.227 1.00 1.00 C -ATOM 23740 ND2 ASN D 355 -28.910 28.684 9.780 1.00 1.00 N -ATOM 23739 OD1 ASN D 355 -30.486 27.293 8.952 1.00 1.00 O -ATOM 23743 N VAL D 356 -30.285 32.810 8.139 1.00 1.00 N -ATOM 23744 CA VAL D 356 -30.785 33.848 7.245 1.00 1.00 C -ATOM 23748 C VAL D 356 -31.432 33.170 6.052 1.00 1.00 C -ATOM 23749 O VAL D 356 -30.875 32.250 5.487 1.00 1.00 O -ATOM 23745 CB VAL D 356 -29.678 34.760 6.760 1.00 1.00 C -ATOM 23746 CG1 VAL D 356 -30.193 35.669 5.610 1.00 1.00 C -ATOM 23747 CG2 VAL D 356 -29.144 35.577 7.925 1.00 1.00 C -ATOM 23750 N ILE D 357 -32.610 33.642 5.674 1.00 1.00 N -ATOM 23751 CA ILE D 357 -33.422 32.996 4.659 1.00 1.00 C -ATOM 23756 C ILE D 357 -33.681 33.966 3.490 1.00 1.00 C -ATOM 23757 O ILE D 357 -34.095 33.556 2.406 1.00 1.00 O -ATOM 23752 CB ILE D 357 -34.746 32.494 5.301 1.00 1.00 C -ATOM 23753 CG1 ILE D 357 -34.795 30.979 5.265 1.00 1.00 C -ATOM 23755 CG2 ILE D 357 -35.982 33.150 4.700 1.00 1.00 C -ATOM 23754 CD1 ILE D 357 -33.602 30.387 5.917 1.00 1.00 C -ATOM 23758 N SER D 358 -33.429 35.253 3.715 1.00 1.00 N -ATOM 23759 CA SER D 358 -33.574 36.247 2.657 1.00 1.00 C -ATOM 23762 C SER D 358 -32.761 37.486 2.989 1.00 1.00 C -ATOM 23763 O SER D 358 -32.507 37.763 4.159 1.00 1.00 O -ATOM 23760 CB SER D 358 -35.040 36.609 2.427 1.00 1.00 C -ATOM 23761 OG SER D 358 -35.462 37.623 3.318 1.00 1.00 O -ATOM 23764 N LEU D 359 -32.336 38.213 1.958 1.00 1.00 N -ATOM 23765 CA LEU D 359 -31.495 39.383 2.148 1.00 1.00 C -ATOM 23770 C LEU D 359 -31.919 40.472 1.194 1.00 1.00 C -ATOM 23771 O LEU D 359 -32.073 40.229 0.008 1.00 1.00 O -ATOM 23766 CB LEU D 359 -30.034 39.033 1.921 1.00 1.00 C -ATOM 23767 CG LEU D 359 -29.069 40.204 1.936 1.00 1.00 C -ATOM 23768 CD1 LEU D 359 -29.297 41.142 3.106 1.00 1.00 C -ATOM 23769 CD2 LEU D 359 -27.651 39.662 1.959 1.00 1.00 C -ATOM 23772 N SER D 360 -32.116 41.672 1.727 1.00 1.00 N -ATOM 23773 CA SER D 360 -32.669 42.785 0.969 1.00 1.00 C -ATOM 23776 C SER D 360 -32.015 44.085 1.401 1.00 1.00 C -ATOM 23777 O SER D 360 -31.417 44.191 2.472 1.00 1.00 O -ATOM 23774 CB SER D 360 -34.185 42.900 1.185 1.00 1.00 C -ATOM 23775 OG SER D 360 -34.809 41.624 1.227 1.00 1.00 O -ATOM 23778 N ALA D 361 -32.133 45.090 0.557 1.00 1.00 N -ATOM 23779 CA ALA D 361 -31.559 46.375 0.882 1.00 1.00 C -ATOM 23781 C ALA D 361 -32.545 47.475 0.556 1.00 1.00 C -ATOM 23782 O ALA D 361 -33.281 47.410 -0.430 1.00 1.00 O -ATOM 23780 CB ALA D 361 -30.274 46.587 0.141 1.00 1.00 C -ATOM 23783 N HIS D 362 -32.569 48.475 1.421 1.00 1.00 N -ATOM 23784 CA HIS D 362 -33.354 49.668 1.195 1.00 1.00 C -ATOM 23791 C HIS D 362 -32.454 50.865 1.450 1.00 1.00 C -ATOM 23792 O HIS D 362 -32.071 51.140 2.591 1.00 1.00 O -ATOM 23785 CB HIS D 362 -34.563 49.715 2.129 1.00 1.00 C -ATOM 23786 CG HIS D 362 -35.324 50.996 2.034 1.00 1.00 C -ATOM 23790 CD2 HIS D 362 -36.247 51.418 1.138 1.00 1.00 C -ATOM 23787 ND1 HIS D 362 -35.117 52.048 2.899 1.00 1.00 N -ATOM 23788 CE1 HIS D 362 -35.899 53.056 2.555 1.00 1.00 C -ATOM 23789 NE2 HIS D 362 -36.592 52.700 1.486 1.00 1.00 N -ATOM 23793 N ASN D 363 -32.110 51.576 0.386 1.00 1.00 N -ATOM 23794 CA ASN D 363 -31.107 52.625 0.488 1.00 1.00 C -ATOM 23799 C ASN D 363 -29.808 52.072 1.074 1.00 1.00 C -ATOM 23800 O ASN D 363 -29.133 51.252 0.445 1.00 1.00 O -ATOM 23795 CB ASN D 363 -31.622 53.797 1.326 1.00 1.00 C -ATOM 23796 CG ASN D 363 -32.833 54.473 0.700 1.00 1.00 C -ATOM 23798 ND2 ASN D 363 -33.657 55.090 1.536 1.00 1.00 N -ATOM 23797 OD1 ASN D 363 -33.024 54.440 -0.521 1.00 1.00 O -ATOM 23801 N ASP D 364 -29.465 52.504 2.284 1.00 1.00 N -ATOM 23802 CA ASP D 364 -28.221 52.057 2.906 1.00 1.00 C -ATOM 23807 C ASP D 364 -28.447 51.134 4.108 1.00 1.00 C -ATOM 23808 O ASP D 364 -27.524 50.891 4.895 1.00 1.00 O -ATOM 23803 CB ASP D 364 -27.355 53.252 3.310 1.00 1.00 C -ATOM 23804 CG ASP D 364 -26.889 54.065 2.114 1.00 1.00 C -ATOM 23805 OD1 ASP D 364 -27.198 55.281 2.062 1.00 1.00 O -ATOM 23806 OD2 ASP D 364 -26.226 53.485 1.223 1.00 1.00 O -ATOM 23809 N GLU D 365 -29.667 50.622 4.256 1.00 1.00 N -ATOM 23810 CA GLU D 365 -29.920 49.625 5.291 1.00 1.00 C -ATOM 23816 C GLU D 365 -30.157 48.244 4.664 1.00 1.00 C -ATOM 23817 O GLU D 365 -30.677 48.137 3.556 1.00 1.00 O -ATOM 23811 CB GLU D 365 -31.086 50.046 6.210 1.00 1.00 C -ATOM 23812 CG GLU D 365 -32.495 49.701 5.701 1.00 1.00 C -ATOM 23813 CD GLU D 365 -33.532 49.519 6.834 1.00 1.00 C -ATOM 23814 OE1 GLU D 365 -33.208 49.768 8.022 1.00 1.00 O -ATOM 23815 OE2 GLU D 365 -34.681 49.124 6.531 1.00 1.00 O -ATOM 23818 N PHE D 366 -29.742 47.190 5.356 1.00 1.00 N -ATOM 23819 CA PHE D 366 -30.062 45.834 4.927 1.00 1.00 C -ATOM 23827 C PHE D 366 -31.182 45.286 5.778 1.00 1.00 C -ATOM 23828 O PHE D 366 -31.214 45.515 6.982 1.00 1.00 O -ATOM 23820 CB PHE D 366 -28.847 44.914 5.066 1.00 1.00 C -ATOM 23821 CG PHE D 366 -27.687 45.314 4.213 1.00 1.00 C -ATOM 23822 CD1 PHE D 366 -27.785 45.285 2.826 1.00 1.00 C -ATOM 23826 CD2 PHE D 366 -26.496 45.719 4.791 1.00 1.00 C -ATOM 23823 CE1 PHE D 366 -26.722 45.669 2.034 1.00 1.00 C -ATOM 23825 CE2 PHE D 366 -25.430 46.098 4.000 1.00 1.00 C -ATOM 23824 CZ PHE D 366 -25.544 46.070 2.617 1.00 1.00 C -ATOM 23829 N GLN D 367 -32.111 44.576 5.152 1.00 1.00 N -ATOM 23830 CA GLN D 367 -33.088 43.792 5.895 1.00 1.00 C -ATOM 23836 C GLN D 367 -32.780 42.314 5.723 1.00 1.00 C -ATOM 23837 O GLN D 367 -32.334 41.865 4.659 1.00 1.00 O -ATOM 23831 CB GLN D 367 -34.519 44.039 5.413 1.00 1.00 C -ATOM 23832 CG GLN D 367 -34.919 45.467 5.358 1.00 1.00 C -ATOM 23833 CD GLN D 367 -34.479 46.096 4.081 1.00 1.00 C -ATOM 23835 NE2 GLN D 367 -34.868 45.490 2.962 1.00 1.00 N -ATOM 23834 OE1 GLN D 367 -33.763 47.098 4.085 1.00 1.00 O -ATOM 23838 N VAL D 368 -33.047 41.557 6.771 1.00 1.00 N -ATOM 23839 CA VAL D 368 -32.843 40.124 6.744 1.00 1.00 C -ATOM 23843 C VAL D 368 -34.108 39.453 7.249 1.00 1.00 C -ATOM 23844 O VAL D 368 -34.838 40.007 8.080 1.00 1.00 O -ATOM 23840 CB VAL D 368 -31.637 39.750 7.613 1.00 1.00 C -ATOM 23841 CG1 VAL D 368 -31.991 38.648 8.568 1.00 1.00 C -ATOM 23842 CG2 VAL D 368 -30.438 39.377 6.737 1.00 1.00 C -ATOM 23845 N THR D 369 -34.391 38.270 6.733 1.00 1.00 N -ATOM 23846 CA THR D 369 -35.505 37.474 7.242 1.00 1.00 C -ATOM 23850 C THR D 369 -34.934 36.144 7.731 1.00 1.00 C -ATOM 23851 O THR D 369 -34.014 35.599 7.112 1.00 1.00 O -ATOM 23847 CB THR D 369 -36.524 37.231 6.137 1.00 1.00 C -ATOM 23849 CG2 THR D 369 -37.129 35.905 6.320 1.00 1.00 C -ATOM 23848 OG1 THR D 369 -37.547 38.233 6.182 1.00 1.00 O -ATOM 23852 N LEU D 370 -35.451 35.622 8.841 1.00 1.00 N -ATOM 23853 CA LEU D 370 -34.882 34.405 9.440 1.00 1.00 C -ATOM 23858 C LEU D 370 -35.844 33.225 9.512 1.00 1.00 C -ATOM 23859 O LEU D 370 -37.066 33.398 9.524 1.00 1.00 O -ATOM 23854 CB LEU D 370 -34.348 34.692 10.845 1.00 1.00 C -ATOM 23855 CG LEU D 370 -33.577 36.000 11.019 1.00 1.00 C -ATOM 23856 CD1 LEU D 370 -33.355 36.292 12.492 1.00 1.00 C -ATOM 23857 CD2 LEU D 370 -32.259 35.924 10.289 1.00 1.00 C -ATOM 23860 N ASP D 371 -35.277 32.023 9.562 1.00 1.00 N -ATOM 23861 CA ASP D 371 -36.062 30.811 9.771 1.00 1.00 C -ATOM 23866 C ASP D 371 -36.211 30.586 11.277 1.00 1.00 C -ATOM 23867 O ASP D 371 -35.342 30.000 11.932 1.00 1.00 O -ATOM 23862 CB ASP D 371 -35.398 29.591 9.107 1.00 1.00 C -ATOM 23863 CG ASP D 371 -36.188 28.284 9.332 1.00 1.00 C -ATOM 23864 OD1 ASP D 371 -37.326 28.341 9.872 1.00 1.00 O -ATOM 23865 OD2 ASP D 371 -35.675 27.195 8.965 1.00 1.00 O -ATOM 23868 N ASN D 372 -37.315 31.078 11.822 1.00 1.00 N -ATOM 23869 CA ASN D 372 -37.574 30.960 13.240 1.00 1.00 C -ATOM 23874 C ASN D 372 -38.637 29.892 13.484 1.00 1.00 C -ATOM 23875 O ASN D 372 -39.409 29.995 14.424 1.00 1.00 O -ATOM 23870 CB ASN D 372 -38.018 32.314 13.806 1.00 1.00 C -ATOM 23871 CG ASN D 372 -39.398 32.735 13.310 1.00 1.00 C -ATOM 23873 ND2 ASN D 372 -39.951 33.797 13.907 1.00 1.00 N -ATOM 23872 OD1 ASN D 372 -39.964 32.110 12.408 1.00 1.00 O -ATOM 23876 N LYS D 373 -38.674 28.883 12.612 1.00 1.00 N -ATOM 23877 CA LYS D 373 -39.600 27.756 12.728 1.00 1.00 C -ATOM 23883 C LYS D 373 -39.577 27.147 14.123 1.00 1.00 C -ATOM 23884 O LYS D 373 -40.612 26.734 14.651 1.00 1.00 O -ATOM 23878 CB LYS D 373 -39.215 26.655 11.724 1.00 1.00 C -ATOM 23879 CG LYS D 373 -40.156 26.479 10.534 1.00 1.00 C -ATOM 23880 CD LYS D 373 -39.723 25.287 9.687 1.00 1.00 C -ATOM 23881 CE LYS D 373 -38.291 25.472 9.184 1.00 1.00 C -ATOM 23882 NZ LYS D 373 -37.613 24.191 8.817 1.00 1.00 N -ATOM 23885 N GLU D 374 -38.381 27.092 14.706 1.00 1.00 N -ATOM 23886 CA GLU D 374 -38.156 26.348 15.939 1.00 1.00 C -ATOM 23892 C GLU D 374 -37.768 27.214 17.139 1.00 1.00 C -ATOM 23893 O GLU D 374 -36.787 26.937 17.834 1.00 1.00 O -ATOM 23887 CB GLU D 374 -37.110 25.253 15.706 1.00 1.00 C -ATOM 23888 CG GLU D 374 -37.458 24.343 14.540 1.00 1.00 C -ATOM 23889 CD GLU D 374 -36.460 23.218 14.347 1.00 1.00 C -ATOM 23890 OE1 GLU D 374 -36.157 22.518 15.339 1.00 1.00 O -ATOM 23891 OE2 GLU D 374 -35.985 23.032 13.202 1.00 1.00 O -ATOM 23894 N SER D 375 -38.536 28.269 17.377 1.00 1.00 N -ATOM 23895 CA SER D 375 -38.445 28.954 18.651 1.00 1.00 C -ATOM 23898 C SER D 375 -39.463 28.273 19.539 1.00 1.00 C -ATOM 23899 O SER D 375 -40.274 27.470 19.066 1.00 1.00 O -ATOM 23896 CB SER D 375 -38.748 30.448 18.515 1.00 1.00 C -ATOM 23897 OG SER D 375 -39.798 30.680 17.596 1.00 1.00 O -ATOM 23900 N SER D 376 -39.412 28.570 20.827 1.00 1.00 N -ATOM 23901 CA SER D 376 -40.460 28.137 21.731 1.00 1.00 C -ATOM 23904 C SER D 376 -41.134 29.390 22.251 1.00 1.00 C -ATOM 23905 O SER D 376 -40.457 30.263 22.797 1.00 1.00 O -ATOM 23902 CB SER D 376 -39.871 27.309 22.869 1.00 1.00 C -ATOM 23903 OG SER D 376 -38.532 27.692 23.129 1.00 1.00 O -ATOM 23906 N GLY D 377 -42.453 29.481 22.056 1.00 1.00 N -ATOM 23907 CA GLY D 377 -43.225 30.688 22.333 1.00 1.00 C -ATOM 23908 C GLY D 377 -42.651 31.549 23.442 1.00 1.00 C -ATOM 23909 O GLY D 377 -42.181 31.022 24.452 1.00 1.00 O -ATOM 23910 N VAL D 378 -42.674 32.868 23.269 1.00 1.00 N -ATOM 23911 CA VAL D 378 -43.220 33.503 22.080 1.00 1.00 C -ATOM 23915 C VAL D 378 -42.242 33.476 20.908 1.00 1.00 C -ATOM 23916 O VAL D 378 -41.026 33.609 21.090 1.00 1.00 O -ATOM 23912 CB VAL D 378 -43.594 34.958 22.381 1.00 1.00 C -ATOM 23913 CG1 VAL D 378 -44.361 35.568 21.215 1.00 1.00 C -ATOM 23914 CG2 VAL D 378 -44.416 35.019 23.661 1.00 1.00 C -ATOM 23917 N GLN D 379 -42.797 33.292 19.711 1.00 1.00 N -ATOM 23918 CA GLN D 379 -42.026 33.231 18.472 1.00 1.00 C -ATOM 23924 C GLN D 379 -41.518 34.622 18.104 1.00 1.00 C -ATOM 23925 O GLN D 379 -42.301 35.539 17.828 1.00 1.00 O -ATOM 23919 CB GLN D 379 -42.889 32.669 17.342 1.00 1.00 C -ATOM 23920 CG GLN D 379 -42.109 32.269 16.097 1.00 1.00 C -ATOM 23921 CD GLN D 379 -42.989 31.632 15.041 1.00 1.00 C -ATOM 23923 NE2 GLN D 379 -42.383 31.236 13.920 1.00 1.00 N -ATOM 23922 OE1 GLN D 379 -44.200 31.493 15.226 1.00 1.00 O -ATOM 23926 N LYS D 380 -40.202 34.778 18.104 1.00 1.00 N -ATOM 23927 CA LYS D 380 -39.598 36.093 17.884 1.00 1.00 C -ATOM 23933 C LYS D 380 -38.658 36.103 16.646 1.00 1.00 C -ATOM 23934 O LYS D 380 -38.559 35.111 15.934 1.00 1.00 O -ATOM 23928 CB LYS D 380 -38.817 36.453 19.142 1.00 1.00 C -ATOM 23929 CG LYS D 380 -38.850 37.902 19.541 1.00 1.00 C -ATOM 23930 CD LYS D 380 -37.615 38.214 20.371 1.00 1.00 C -ATOM 23931 CE LYS D 380 -37.193 36.990 21.173 1.00 1.00 C -ATOM 23932 NZ LYS D 380 -35.730 36.990 21.463 1.00 1.00 N -ATOM 23935 N ASN D 381 -37.983 37.221 16.395 1.00 1.00 N -ATOM 23936 CA ASN D 381 -36.894 37.256 15.419 1.00 1.00 C -ATOM 23941 C ASN D 381 -37.266 36.847 13.994 1.00 1.00 C -ATOM 23942 O ASN D 381 -36.516 36.109 13.364 1.00 1.00 O -ATOM 23937 CB ASN D 381 -35.749 36.357 15.900 1.00 1.00 C -ATOM 23938 CG ASN D 381 -35.065 36.898 17.131 1.00 1.00 C -ATOM 23940 ND2 ASN D 381 -34.394 36.019 17.855 1.00 1.00 N -ATOM 23939 OD1 ASN D 381 -35.130 38.093 17.427 1.00 1.00 O -ATOM 23943 N PHE D 382 -38.415 37.302 13.498 1.00 1.00 N -ATOM 23944 CA PHE D 382 -38.834 36.994 12.133 1.00 1.00 C -ATOM 23952 C PHE D 382 -37.981 37.731 11.102 1.00 1.00 C -ATOM 23953 O PHE D 382 -37.803 37.251 9.986 1.00 1.00 O -ATOM 23945 CB PHE D 382 -40.277 37.396 11.891 1.00 1.00 C -ATOM 23946 CG PHE D 382 -41.262 36.559 12.590 1.00 1.00 C -ATOM 23947 CD1 PHE D 382 -41.709 36.907 13.862 1.00 1.00 C -ATOM 23951 CD2 PHE D 382 -41.790 35.443 11.975 1.00 1.00 C -ATOM 23948 CE1 PHE D 382 -42.644 36.143 14.505 1.00 1.00 C -ATOM 23950 CE2 PHE D 382 -42.745 34.664 12.626 1.00 1.00 C -ATOM 23949 CZ PHE D 382 -43.165 35.019 13.892 1.00 1.00 C -ATOM 23954 N ALA D 383 -37.484 38.904 11.483 1.00 1.00 N -ATOM 23955 CA ALA D 383 -36.718 39.751 10.589 1.00 1.00 C -ATOM 23957 C ALA D 383 -35.773 40.646 11.387 1.00 1.00 C -ATOM 23958 O ALA D 383 -35.983 40.873 12.580 1.00 1.00 O -ATOM 23956 CB ALA D 383 -37.657 40.596 9.743 1.00 1.00 C -ATOM 23959 N LYS D 384 -34.725 41.145 10.735 1.00 1.00 N -ATOM 23960 CA LYS D 384 -33.877 42.171 11.336 1.00 1.00 C -ATOM 23966 C LYS D 384 -33.609 43.308 10.363 1.00 1.00 C -ATOM 23967 O LYS D 384 -33.413 43.089 9.159 1.00 1.00 O -ATOM 23961 CB LYS D 384 -32.552 41.587 11.822 1.00 1.00 C -ATOM 23962 CG LYS D 384 -32.696 40.474 12.829 1.00 1.00 C -ATOM 23963 CD LYS D 384 -33.221 40.998 14.168 1.00 1.00 C -ATOM 23964 CE LYS D 384 -33.205 39.902 15.237 1.00 1.00 C -ATOM 23965 NZ LYS D 384 -33.830 40.348 16.529 1.00 1.00 N -ATOM 23968 N PHE D 385 -33.599 44.525 10.888 1.00 1.00 N -ATOM 23969 CA PHE D 385 -33.218 45.672 10.092 1.00 1.00 C -ATOM 23977 C PHE D 385 -31.835 46.115 10.525 1.00 1.00 C -ATOM 23978 O PHE D 385 -31.621 46.465 11.674 1.00 1.00 O -ATOM 23970 CB PHE D 385 -34.249 46.784 10.219 1.00 1.00 C -ATOM 23971 CG PHE D 385 -35.630 46.355 9.821 1.00 1.00 C -ATOM 23972 CD1 PHE D 385 -36.400 45.567 10.668 1.00 1.00 C -ATOM 23976 CD2 PHE D 385 -36.155 46.719 8.598 1.00 1.00 C -ATOM 23973 CE1 PHE D 385 -37.678 45.158 10.299 1.00 1.00 C -ATOM 23975 CE2 PHE D 385 -37.424 46.322 8.218 1.00 1.00 C -ATOM 23974 CZ PHE D 385 -38.193 45.537 9.079 1.00 1.00 C -ATOM 23979 N ILE D 386 -30.891 46.067 9.591 1.00 1.00 N -ATOM 23980 CA ILE D 386 -29.513 46.452 9.856 1.00 1.00 C -ATOM 23985 C ILE D 386 -29.272 47.831 9.273 1.00 1.00 C -ATOM 23986 O ILE D 386 -29.612 48.090 8.117 1.00 1.00 O -ATOM 23981 CB ILE D 386 -28.499 45.443 9.252 1.00 1.00 C -ATOM 23982 CG1 ILE D 386 -28.649 44.056 9.889 1.00 1.00 C -ATOM 23984 CG2 ILE D 386 -27.081 45.933 9.447 1.00 1.00 C -ATOM 23983 CD1 ILE D 386 -29.625 43.144 9.173 1.00 1.00 C -ATOM 23987 N GLU D 387 -28.699 48.721 10.077 1.00 1.00 N -ATOM 23988 CA GLU D 387 -28.448 50.088 9.635 1.00 1.00 C -ATOM 23994 C GLU D 387 -26.992 50.462 9.840 1.00 1.00 C -ATOM 23995 O GLU D 387 -26.330 49.940 10.747 1.00 1.00 O -ATOM 23989 CB GLU D 387 -29.350 51.067 10.378 1.00 1.00 C -ATOM 23990 CG GLU D 387 -30.780 51.074 9.876 1.00 1.00 C -ATOM 23991 CD GLU D 387 -31.716 51.855 10.785 1.00 1.00 C -ATOM 23992 OE1 GLU D 387 -31.363 52.070 11.969 1.00 1.00 O -ATOM 23993 OE2 GLU D 387 -32.807 52.252 10.315 1.00 1.00 O -ATOM 23996 N TYR D 388 -26.484 51.349 8.990 1.00 1.00 N -ATOM 23997 CA TYR D 388 -25.083 51.748 9.105 1.00 1.00 C -ATOM 24006 C TYR D 388 -24.929 52.925 10.065 1.00 1.00 C -ATOM 24007 O TYR D 388 -25.668 53.919 9.985 1.00 1.00 O -ATOM 23998 CB TYR D 388 -24.451 52.065 7.742 1.00 1.00 C -ATOM 23999 CG TYR D 388 -22.949 52.229 7.820 1.00 1.00 C -ATOM 24000 CD1 TYR D 388 -22.142 51.168 8.218 1.00 1.00 C -ATOM 24005 CD2 TYR D 388 -22.337 53.441 7.511 1.00 1.00 C -ATOM 24001 CE1 TYR D 388 -20.760 51.299 8.295 1.00 1.00 C -ATOM 24004 CE2 TYR D 388 -20.956 53.586 7.592 1.00 1.00 C -ATOM 24002 CZ TYR D 388 -20.173 52.507 7.985 1.00 1.00 C -ATOM 24003 OH TYR D 388 -18.803 52.625 8.072 1.00 1.00 O -ATOM 24008 N ASN D 389 -23.976 52.784 10.982 1.00 1.00 N -ATOM 24009 CA ASN D 389 -23.738 53.771 12.020 1.00 1.00 C -ATOM 24014 C ASN D 389 -22.481 54.577 11.670 1.00 1.00 C -ATOM 24015 O ASN D 389 -21.344 54.093 11.823 1.00 1.00 O -ATOM 24010 CB ASN D 389 -23.590 53.063 13.372 1.00 1.00 C -ATOM 24011 CG ASN D 389 -23.641 54.019 14.553 1.00 1.00 C -ATOM 24013 ND2 ASN D 389 -24.588 53.775 15.470 1.00 1.00 N -ATOM 24012 OD1 ASN D 389 -22.834 54.954 14.653 1.00 1.00 O -ATOM 24016 N LEU D 390 -22.699 55.798 11.180 1.00 1.00 N -ATOM 24017 CA LEU D 390 -21.617 56.649 10.692 1.00 1.00 C -ATOM 24022 C LEU D 390 -20.619 56.886 11.798 1.00 1.00 C -ATOM 24023 O LEU D 390 -19.408 56.924 11.575 1.00 1.00 O -ATOM 24018 CB LEU D 390 -22.176 57.986 10.221 1.00 1.00 C -ATOM 24019 CG LEU D 390 -23.277 57.847 9.169 1.00 1.00 C -ATOM 24020 CD1 LEU D 390 -24.034 59.154 8.990 1.00 1.00 C -ATOM 24021 CD2 LEU D 390 -22.681 57.369 7.845 1.00 1.00 C -ATOM 24024 N ASN D 391 -21.155 57.038 12.998 1.00 1.00 N -ATOM 24025 CA ASN D 391 -20.355 57.260 14.183 1.00 1.00 C -ATOM 24030 C ASN D 391 -19.374 56.108 14.386 1.00 1.00 C -ATOM 24031 O ASN D 391 -18.160 56.324 14.449 1.00 1.00 O -ATOM 24026 CB ASN D 391 -21.278 57.436 15.400 1.00 1.00 C -ATOM 24027 CG ASN D 391 -20.523 57.766 16.676 1.00 1.00 C -ATOM 24029 ND2 ASN D 391 -21.114 57.412 17.813 1.00 1.00 N -ATOM 24028 OD1 ASN D 391 -19.430 58.338 16.645 1.00 1.00 O -ATOM 24032 N GLU D 392 -19.895 54.885 14.447 1.00 1.00 N -ATOM 24033 CA GLU D 392 -19.068 53.728 14.769 1.00 1.00 C -ATOM 24039 C GLU D 392 -18.415 53.074 13.559 1.00 1.00 C -ATOM 24040 O GLU D 392 -17.647 52.123 13.706 1.00 1.00 O -ATOM 24034 CB GLU D 392 -19.902 52.703 15.518 1.00 1.00 C -ATOM 24035 CG GLU D 392 -20.732 53.335 16.603 1.00 1.00 C -ATOM 24036 CD GLU D 392 -21.796 52.396 17.128 1.00 1.00 C -ATOM 24037 OE1 GLU D 392 -21.823 51.223 16.684 1.00 1.00 O -ATOM 24038 OE2 GLU D 392 -22.602 52.833 17.980 1.00 1.00 O -ATOM 24041 N ASN D 393 -18.713 53.583 12.370 1.00 1.00 N -ATOM 24042 CA ASN D 393 -18.190 52.989 11.140 1.00 1.00 C -ATOM 24047 C ASN D 393 -18.501 51.500 11.076 1.00 1.00 C -ATOM 24048 O ASN D 393 -17.610 50.679 10.839 1.00 1.00 O -ATOM 24043 CB ASN D 393 -16.674 53.185 11.046 1.00 1.00 C -ATOM 24044 CG ASN D 393 -16.215 53.520 9.636 1.00 1.00 C -ATOM 24046 ND2 ASN D 393 -15.120 52.905 9.205 1.00 1.00 N -ATOM 24045 OD1 ASN D 393 -16.834 54.332 8.946 1.00 1.00 O -ATOM 24049 N SER D 394 -19.763 51.151 11.299 1.00 1.00 N -ATOM 24050 CA SER D 394 -20.125 49.752 11.443 1.00 1.00 C -ATOM 24053 C SER D 394 -21.626 49.547 11.227 1.00 1.00 C -ATOM 24054 O SER D 394 -22.411 50.483 11.353 1.00 1.00 O -ATOM 24051 CB SER D 394 -19.704 49.257 12.830 1.00 1.00 C -ATOM 24052 OG SER D 394 -19.498 47.852 12.839 1.00 1.00 O -ATOM 24055 N PHE D 395 -22.015 48.321 10.883 1.00 1.00 N -ATOM 24056 CA PHE D 395 -23.426 47.988 10.702 1.00 1.00 C -ATOM 24064 C PHE D 395 -23.988 47.428 11.990 1.00 1.00 C -ATOM 24065 O PHE D 395 -23.349 46.605 12.650 1.00 1.00 O -ATOM 24057 CB PHE D 395 -23.622 46.978 9.564 1.00 1.00 C -ATOM 24058 CG PHE D 395 -23.648 47.603 8.188 1.00 1.00 C -ATOM 24059 CD1 PHE D 395 -22.550 47.508 7.346 1.00 1.00 C -ATOM 24063 CD2 PHE D 395 -24.778 48.282 7.735 1.00 1.00 C -ATOM 24060 CE1 PHE D 395 -22.572 48.085 6.080 1.00 1.00 C -ATOM 24062 CE2 PHE D 395 -24.812 48.860 6.467 1.00 1.00 C -ATOM 24061 CZ PHE D 395 -23.708 48.761 5.641 1.00 1.00 C -ATOM 24066 N VAL D 396 -25.185 47.879 12.350 1.00 1.00 N -ATOM 24067 CA VAL D 396 -25.780 47.499 13.628 1.00 1.00 C -ATOM 24071 C VAL D 396 -27.273 47.208 13.475 1.00 1.00 C -ATOM 24072 O VAL D 396 -27.992 47.915 12.766 1.00 1.00 O -ATOM 24068 CB VAL D 396 -25.560 48.600 14.706 1.00 1.00 C -ATOM 24069 CG1 VAL D 396 -24.099 49.032 14.746 1.00 1.00 C -ATOM 24070 CG2 VAL D 396 -26.465 49.810 14.448 1.00 1.00 C -ATOM 24073 N VAL D 397 -27.739 46.155 14.132 1.00 1.00 N -ATOM 24074 CA VAL D 397 -29.151 45.833 14.089 1.00 1.00 C -ATOM 24078 C VAL D 397 -29.945 46.932 14.788 1.00 1.00 C -ATOM 24079 O VAL D 397 -29.505 47.484 15.795 1.00 1.00 O -ATOM 24075 CB VAL D 397 -29.446 44.485 14.752 1.00 1.00 C -ATOM 24076 CG1 VAL D 397 -30.945 44.161 14.634 1.00 1.00 C -ATOM 24077 CG2 VAL D 397 -28.597 43.402 14.125 1.00 1.00 C -ATOM 24080 N ASN D 398 -31.104 47.258 14.226 1.00 1.00 N -ATOM 24081 CA ASN D 398 -32.033 48.180 14.846 1.00 1.00 C -ATOM 24086 C ASN D 398 -33.070 47.354 15.593 1.00 1.00 C -ATOM 24087 O ASN D 398 -34.131 47.012 15.059 1.00 1.00 O -ATOM 24082 CB ASN D 398 -32.668 49.089 13.787 1.00 1.00 C -ATOM 24083 CG ASN D 398 -33.560 50.169 14.386 1.00 1.00 C -ATOM 24085 ND2 ASN D 398 -33.601 51.334 13.735 1.00 1.00 N -ATOM 24084 OD1 ASN D 398 -34.219 49.953 15.406 1.00 1.00 O -ATOM 24088 N ASN D 399 -32.733 47.029 16.838 1.00 1.00 N -ATOM 24089 CA ASN D 399 -33.533 46.148 17.681 1.00 1.00 C -ATOM 24094 C ASN D 399 -34.957 46.612 17.961 1.00 1.00 C -ATOM 24095 O ASN D 399 -35.892 45.809 17.911 1.00 1.00 O -ATOM 24090 CB ASN D 399 -32.802 45.898 18.989 1.00 1.00 C -ATOM 24091 CG ASN D 399 -31.611 45.004 18.806 1.00 1.00 C -ATOM 24093 ND2 ASN D 399 -31.808 43.906 18.079 1.00 1.00 N -ATOM 24092 OD1 ASN D 399 -30.516 45.295 19.295 1.00 1.00 O -ATOM 24096 N GLU D 400 -35.118 47.899 18.263 1.00 1.00 N -ATOM 24097 CA GLU D 400 -36.449 48.462 18.488 1.00 1.00 C -ATOM 24103 C GLU D 400 -37.329 48.250 17.261 1.00 1.00 C -ATOM 24104 O GLU D 400 -38.405 47.651 17.346 1.00 1.00 O -ATOM 24098 CB GLU D 400 -36.369 49.953 18.824 1.00 1.00 C -ATOM 24099 CG GLU D 400 -35.557 50.275 20.072 1.00 1.00 C -ATOM 24100 CD GLU D 400 -34.057 50.159 19.841 1.00 1.00 C -ATOM 24101 OE1 GLU D 400 -33.568 50.671 18.806 1.00 1.00 O -ATOM 24102 OE2 GLU D 400 -33.370 49.564 20.701 1.00 1.00 O -ATOM 24105 N LYS D 401 -36.848 48.736 16.119 1.00 1.00 N -ATOM 24106 CA LYS D 401 -37.516 48.542 14.832 1.00 1.00 C -ATOM 24112 C LYS D 401 -37.768 47.059 14.501 1.00 1.00 C -ATOM 24113 O LYS D 401 -38.857 46.691 14.066 1.00 1.00 O -ATOM 24107 CB LYS D 401 -36.708 49.220 13.719 1.00 1.00 C -ATOM 24108 CG LYS D 401 -37.238 48.990 12.325 1.00 1.00 C -ATOM 24109 CD LYS D 401 -36.780 50.076 11.379 1.00 1.00 C -ATOM 24110 CE LYS D 401 -37.524 49.995 10.058 1.00 1.00 C -ATOM 24111 NZ LYS D 401 -36.863 50.838 9.023 1.00 1.00 N -ATOM 24114 N SER D 402 -36.778 46.203 14.722 1.00 1.00 N -ATOM 24115 CA SER D 402 -36.977 44.775 14.466 1.00 1.00 C -ATOM 24118 C SER D 402 -37.995 44.173 15.444 1.00 1.00 C -ATOM 24119 O SER D 402 -38.935 43.467 15.051 1.00 1.00 O -ATOM 24116 CB SER D 402 -35.645 44.024 14.544 1.00 1.00 C -ATOM 24117 OG SER D 402 -34.653 44.666 13.754 1.00 1.00 O -ATOM 24120 N ASN D 403 -37.816 44.463 16.725 1.00 1.00 N -ATOM 24121 CA ASN D 403 -38.690 43.872 17.739 1.00 1.00 C -ATOM 24126 C ASN D 403 -40.156 44.286 17.550 1.00 1.00 C -ATOM 24127 O ASN D 403 -41.076 43.459 17.680 1.00 1.00 O -ATOM 24122 CB ASN D 403 -38.182 44.177 19.153 1.00 1.00 C -ATOM 24123 CG ASN D 403 -36.801 43.569 19.428 1.00 1.00 C -ATOM 24125 ND2 ASN D 403 -36.022 44.215 20.299 1.00 1.00 N -ATOM 24124 OD1 ASN D 403 -36.444 42.530 18.863 1.00 1.00 O -ATOM 24128 N GLU D 404 -40.371 45.553 17.206 1.00 1.00 N -ATOM 24129 CA GLU D 404 -41.721 46.034 16.959 1.00 1.00 C -ATOM 24135 C GLU D 404 -42.324 45.363 15.729 1.00 1.00 C -ATOM 24136 O GLU D 404 -43.524 45.071 15.689 1.00 1.00 O -ATOM 24130 CB GLU D 404 -41.743 47.560 16.820 1.00 1.00 C -ATOM 24131 CG GLU D 404 -41.546 48.287 18.135 1.00 1.00 C -ATOM 24132 CD GLU D 404 -42.527 47.836 19.213 1.00 1.00 C -ATOM 24133 OE1 GLU D 404 -43.716 47.590 18.897 1.00 1.00 O -ATOM 24134 OE2 GLU D 404 -42.099 47.728 20.379 1.00 1.00 O -ATOM 24137 N PHE D 405 -41.486 45.117 14.725 1.00 1.00 N -ATOM 24138 CA PHE D 405 -41.935 44.415 13.544 1.00 1.00 C -ATOM 24146 C PHE D 405 -42.403 43.009 13.929 1.00 1.00 C -ATOM 24147 O PHE D 405 -43.487 42.572 13.532 1.00 1.00 O -ATOM 24139 CB PHE D 405 -40.824 44.373 12.492 1.00 1.00 C -ATOM 24140 CG PHE D 405 -41.271 43.851 11.155 1.00 1.00 C -ATOM 24141 CD1 PHE D 405 -42.134 44.590 10.361 1.00 1.00 C -ATOM 24145 CD2 PHE D 405 -40.819 42.625 10.687 1.00 1.00 C -ATOM 24142 CE1 PHE D 405 -42.539 44.113 9.120 1.00 1.00 C -ATOM 24144 CE2 PHE D 405 -41.222 42.143 9.448 1.00 1.00 C -ATOM 24143 CZ PHE D 405 -42.085 42.886 8.666 1.00 1.00 C -ATOM 24148 N ASP D 406 -41.598 42.300 14.714 1.00 1.00 N -ATOM 24149 CA ASP D 406 -42.033 40.998 15.225 1.00 1.00 C -ATOM 24154 C ASP D 406 -43.409 41.128 15.876 1.00 1.00 C -ATOM 24155 O ASP D 406 -44.283 40.264 15.715 1.00 1.00 O -ATOM 24150 CB ASP D 406 -41.048 40.429 16.253 1.00 1.00 C -ATOM 24151 CG ASP D 406 -39.718 40.035 15.641 1.00 1.00 C -ATOM 24152 OD1 ASP D 406 -39.636 39.865 14.397 1.00 1.00 O -ATOM 24153 OD2 ASP D 406 -38.750 39.894 16.420 1.00 1.00 O -ATOM 24156 N SER D 407 -43.598 42.212 16.616 1.00 1.00 N -ATOM 24157 CA SER D 407 -44.875 42.429 17.272 1.00 1.00 C -ATOM 24160 C SER D 407 -45.973 42.611 16.228 1.00 1.00 C -ATOM 24161 O SER D 407 -47.026 41.972 16.295 1.00 1.00 O -ATOM 24158 CB SER D 407 -44.805 43.632 18.217 1.00 1.00 C -ATOM 24159 OG SER D 407 -45.985 43.732 18.998 1.00 1.00 O -ATOM 24162 N ALA D 408 -45.710 43.474 15.254 1.00 1.00 N -ATOM 24163 CA ALA D 408 -46.674 43.734 14.197 1.00 1.00 C -ATOM 24165 C ALA D 408 -46.983 42.487 13.365 1.00 1.00 C -ATOM 24166 O ALA D 408 -48.084 42.354 12.848 1.00 1.00 O -ATOM 24164 CB ALA D 408 -46.197 44.859 13.320 1.00 1.00 C -ATOM 24167 N ILE D 409 -46.019 41.577 13.239 1.00 1.00 N -ATOM 24168 CA ILE D 409 -46.237 40.331 12.493 1.00 1.00 C -ATOM 24173 C ILE D 409 -47.179 39.417 13.267 1.00 1.00 C -ATOM 24174 O ILE D 409 -48.205 38.964 12.754 1.00 1.00 O -ATOM 24169 CB ILE D 409 -44.910 39.571 12.227 1.00 1.00 C -ATOM 24170 CG1 ILE D 409 -44.149 40.205 11.061 1.00 1.00 C -ATOM 24172 CG2 ILE D 409 -45.175 38.091 11.941 1.00 1.00 C -ATOM 24171 CD1 ILE D 409 -44.818 40.006 9.706 1.00 1.00 C -ATOM 24175 N ILE D 410 -46.817 39.147 14.512 1.00 1.00 N -ATOM 24176 CA ILE D 410 -47.626 38.290 15.367 1.00 1.00 C -ATOM 24181 C ILE D 410 -49.092 38.719 15.408 1.00 1.00 C -ATOM 24182 O ILE D 410 -49.993 37.888 15.269 1.00 1.00 O -ATOM 24177 CB ILE D 410 -47.050 38.249 16.783 1.00 1.00 C -ATOM 24178 CG1 ILE D 410 -45.652 37.627 16.742 1.00 1.00 C -ATOM 24180 CG2 ILE D 410 -47.962 37.461 17.697 1.00 1.00 C -ATOM 24179 CD1 ILE D 410 -44.805 37.894 17.961 1.00 1.00 C -ATOM 24183 N GLN D 411 -49.331 40.016 15.580 1.00 1.00 N -ATOM 24184 CA GLN D 411 -50.699 40.515 15.663 1.00 1.00 C -ATOM 24190 C GLN D 411 -51.405 40.557 14.306 1.00 1.00 C -ATOM 24191 O GLN D 411 -52.605 40.302 14.224 1.00 1.00 O -ATOM 24185 CB GLN D 411 -50.742 41.887 16.341 1.00 1.00 C -ATOM 24186 CG GLN D 411 -49.881 42.942 15.670 1.00 1.00 C -ATOM 24187 CD GLN D 411 -50.291 44.354 16.059 1.00 1.00 C -ATOM 24189 NE2 GLN D 411 -49.762 45.348 15.341 1.00 1.00 N -ATOM 24188 OE1 GLN D 411 -51.081 44.549 16.990 1.00 1.00 O -ATOM 24192 N SER D 412 -50.661 40.859 13.245 1.00 1.00 N -ATOM 24193 CA SER D 412 -51.256 41.007 11.918 1.00 1.00 C -ATOM 24196 C SER D 412 -51.783 39.683 11.391 1.00 1.00 C -ATOM 24197 O SER D 412 -52.671 39.644 10.539 1.00 1.00 O -ATOM 24194 CB SER D 412 -50.226 41.536 10.922 1.00 1.00 C -ATOM 24195 OG SER D 412 -49.528 40.467 10.296 1.00 1.00 O -ATOM 24198 N VAL D 413 -51.234 38.594 11.903 1.00 1.00 N -ATOM 24199 CA VAL D 413 -51.364 37.322 11.221 1.00 1.00 C -ATOM 24203 C VAL D 413 -52.323 36.352 11.882 1.00 1.00 C -ATOM 24204 O VAL D 413 -52.962 35.541 11.206 1.00 1.00 O -ATOM 24200 CB VAL D 413 -49.988 36.664 11.070 1.00 1.00 C -ATOM 24201 CG1 VAL D 413 -50.016 35.215 11.556 1.00 1.00 C -ATOM 24202 CG2 VAL D 413 -49.502 36.798 9.630 1.00 1.00 C -ATOM 24205 N GLN D 414 -52.431 36.443 13.202 1.00 1.00 N -ATOM 24206 CA GLN D 414 -53.193 35.462 13.968 1.00 1.00 C -ATOM 24212 C GLN D 414 -54.686 35.405 13.636 1.00 1.00 C -ATOM 24213 O GLN D 414 -55.276 36.369 13.128 1.00 1.00 O -ATOM 24207 CB GLN D 414 -52.975 35.662 15.466 1.00 1.00 C -ATOM 24208 CG GLN D 414 -51.589 35.244 15.922 1.00 1.00 C -ATOM 24209 CD GLN D 414 -51.479 35.157 17.430 1.00 1.00 C -ATOM 24211 NE2 GLN D 414 -50.592 34.283 17.911 1.00 1.00 N -ATOM 24210 OE1 GLN D 414 -52.181 35.867 18.158 1.00 1.00 O -ATOM 24214 N GLY D 415 -55.286 34.256 13.930 1.00 1.00 N -ATOM 24215 CA GLY D 415 -56.670 34.014 13.579 1.00 1.00 C -ATOM 24216 C GLY D 415 -56.757 33.354 12.221 1.00 1.00 C -ATOM 24217 O GLY D 415 -57.846 33.082 11.719 1.00 1.00 O -ATOM 24218 N ASP D 416 -55.593 33.098 11.631 1.00 1.00 N -ATOM 24219 CA ASP D 416 -55.493 32.490 10.307 1.00 1.00 C -ATOM 24224 C ASP D 416 -54.841 31.114 10.426 1.00 1.00 C -ATOM 24225 O ASP D 416 -53.662 31.010 10.784 1.00 1.00 O -ATOM 24220 CB ASP D 416 -54.666 33.390 9.374 1.00 1.00 C -ATOM 24221 CG ASP D 416 -54.684 32.921 7.920 1.00 1.00 C -ATOM 24222 OD1 ASP D 416 -54.126 33.639 7.061 1.00 1.00 O -ATOM 24223 OD2 ASP D 416 -55.249 31.844 7.631 1.00 1.00 O -ATOM 24226 N SER D 417 -55.609 30.065 10.129 1.00 1.00 N -ATOM 24227 CA SER D 417 -55.116 28.690 10.212 1.00 1.00 C -ATOM 24230 C SER D 417 -54.130 28.393 9.098 1.00 1.00 C -ATOM 24231 O SER D 417 -53.351 27.442 9.184 1.00 1.00 O -ATOM 24228 CB SER D 417 -56.276 27.705 10.117 1.00 1.00 C -ATOM 24229 OG SER D 417 -57.000 27.896 8.911 1.00 1.00 O -ATOM 24232 N ASN D 418 -54.188 29.202 8.042 1.00 1.00 N -ATOM 24233 CA ASN D 418 -53.302 29.048 6.893 1.00 1.00 C -ATOM 24238 C ASN D 418 -51.852 29.356 7.260 1.00 1.00 C -ATOM 24239 O ASN D 418 -50.953 28.534 7.041 1.00 1.00 O -ATOM 24234 CB ASN D 418 -53.768 29.948 5.737 1.00 1.00 C -ATOM 24235 CG ASN D 418 -52.840 29.890 4.523 1.00 1.00 C -ATOM 24237 ND2 ASN D 418 -52.669 31.033 3.868 1.00 1.00 N -ATOM 24236 OD1 ASN D 418 -52.296 28.834 4.173 1.00 1.00 O -ATOM 24240 N LEU D 419 -51.648 30.537 7.841 1.00 1.00 N -ATOM 24241 CA LEU D 419 -50.317 31.069 8.126 1.00 1.00 C -ATOM 24246 C LEU D 419 -49.764 30.630 9.478 1.00 1.00 C -ATOM 24247 O LEU D 419 -48.556 30.570 9.671 1.00 1.00 O -ATOM 24242 CB LEU D 419 -50.349 32.592 8.037 1.00 1.00 C -ATOM 24243 CG LEU D 419 -50.864 33.065 6.678 1.00 1.00 C -ATOM 24244 CD1 LEU D 419 -50.974 34.585 6.630 1.00 1.00 C -ATOM 24245 CD2 LEU D 419 -49.948 32.540 5.578 1.00 1.00 C -ATOM 24248 N VAL D 420 -50.657 30.343 10.418 1.00 1.00 N -ATOM 24249 CA VAL D 420 -50.264 29.772 11.700 1.00 1.00 C -ATOM 24253 C VAL D 420 -50.582 28.295 11.631 1.00 1.00 C -ATOM 24254 O VAL D 420 -51.751 27.916 11.592 1.00 1.00 O -ATOM 24250 CB VAL D 420 -51.044 30.396 12.859 1.00 1.00 C -ATOM 24251 CG1 VAL D 420 -50.390 30.016 14.188 1.00 1.00 C -ATOM 24252 CG2 VAL D 420 -51.123 31.918 12.685 1.00 1.00 C -ATOM 24255 N THR D 421 -49.549 27.460 11.602 1.00 1.00 N -ATOM 24256 CA THR D 421 -49.745 26.070 11.201 1.00 1.00 C -ATOM 24260 C THR D 421 -48.759 25.087 11.831 1.00 1.00 C -ATOM 24261 O THR D 421 -47.805 25.485 12.498 1.00 1.00 O -ATOM 24257 CB THR D 421 -49.668 25.945 9.659 1.00 1.00 C -ATOM 24259 CG2 THR D 421 -48.259 26.294 9.156 1.00 1.00 C -ATOM 24258 OG1 THR D 421 -50.019 24.615 9.255 1.00 1.00 O -ATOM 24262 N LYS D 422 -49.014 23.798 11.621 1.00 1.00 N -ATOM 24263 CA LYS D 422 -48.104 22.740 12.043 1.00 1.00 C -ATOM 24269 C LYS D 422 -46.764 22.933 11.342 1.00 1.00 C -ATOM 24270 O LYS D 422 -46.711 23.423 10.215 1.00 1.00 O -ATOM 24264 CB LYS D 422 -48.687 21.368 11.693 1.00 1.00 C -ATOM 24265 CG LYS D 422 -50.143 21.175 12.117 1.00 1.00 C -ATOM 24266 CD LYS D 422 -50.796 19.991 11.403 1.00 1.00 C -ATOM 24267 CE LYS D 422 -52.304 19.965 11.633 1.00 1.00 C -ATOM 24268 NZ LYS D 422 -52.994 18.973 10.760 1.00 1.00 N -ATOM 24271 N LYS D 423 -45.687 22.538 12.010 1.00 1.00 N -ATOM 24272 CA LYS D 423 -44.335 22.783 11.517 1.00 1.00 C -ATOM 24278 C LYS D 423 -44.045 22.067 10.188 1.00 1.00 C -ATOM 24279 O LYS D 423 -43.244 22.542 9.375 1.00 1.00 O -ATOM 24273 CB LYS D 423 -43.319 22.366 12.581 1.00 1.00 C -ATOM 24274 CG LYS D 423 -42.286 23.427 12.897 1.00 1.00 C -ATOM 24275 CD LYS D 423 -41.459 23.056 14.118 1.00 1.00 C -ATOM 24276 CE LYS D 423 -40.367 22.049 13.781 1.00 1.00 C -ATOM 24277 NZ LYS D 423 -39.455 21.825 14.938 1.00 1.00 N -ATOM 24280 N GLU D 424 -44.706 20.930 9.976 1.00 1.00 N -ATOM 24281 CA GLU D 424 -44.529 20.122 8.766 1.00 1.00 C -ATOM 24287 C GLU D 424 -45.337 20.668 7.580 1.00 1.00 C -ATOM 24288 O GLU D 424 -45.181 20.216 6.445 1.00 1.00 O -ATOM 24282 CB GLU D 424 -44.902 18.655 9.049 1.00 1.00 C -ATOM 24283 CG GLU D 424 -44.643 17.665 7.900 1.00 1.00 C -ATOM 24284 CD GLU D 424 -44.885 16.205 8.298 1.00 1.00 C -ATOM 24285 OE1 GLU D 424 -45.743 15.544 7.670 1.00 1.00 O -ATOM 24286 OE2 GLU D 424 -44.222 15.717 9.241 1.00 1.00 O -ATOM 24289 N GLU D 425 -46.200 21.643 7.845 1.00 1.00 N -ATOM 24290 CA GLU D 425 -46.978 22.279 6.787 1.00 1.00 C -ATOM 24296 C GLU D 425 -46.331 23.590 6.333 1.00 1.00 C -ATOM 24297 O GLU D 425 -46.956 24.396 5.637 1.00 1.00 O -ATOM 24291 CB GLU D 425 -48.414 22.537 7.247 1.00 1.00 C -ATOM 24292 CG GLU D 425 -49.204 21.292 7.614 1.00 1.00 C -ATOM 24293 CD GLU D 425 -50.702 21.547 7.633 1.00 1.00 C -ATOM 24294 OE1 GLU D 425 -51.139 22.595 7.104 1.00 1.00 O -ATOM 24295 OE2 GLU D 425 -51.443 20.699 8.174 1.00 1.00 O -ATOM 24298 N ILE D 426 -45.081 23.802 6.734 1.00 1.00 N -ATOM 24299 CA ILE D 426 -44.341 24.997 6.334 1.00 1.00 C -ATOM 24304 C ILE D 426 -43.513 24.740 5.074 1.00 1.00 C -ATOM 24305 O ILE D 426 -42.716 23.799 5.028 1.00 1.00 O -ATOM 24300 CB ILE D 426 -43.421 25.501 7.468 1.00 1.00 C -ATOM 24301 CG1 ILE D 426 -44.254 26.085 8.612 1.00 1.00 C -ATOM 24303 CG2 ILE D 426 -42.431 26.533 6.939 1.00 1.00 C -ATOM 24302 CD1 ILE D 426 -43.424 26.533 9.792 1.00 1.00 C -ATOM 24306 N TYR D 427 -43.719 25.574 4.055 1.00 1.00 N -ATOM 24307 CA TYR D 427 -43.003 25.460 2.780 1.00 1.00 C -ATOM 24316 C TYR D 427 -41.502 25.278 2.972 1.00 1.00 C -ATOM 24317 O TYR D 427 -40.908 25.853 3.883 1.00 1.00 O -ATOM 24308 CB TYR D 427 -43.227 26.713 1.934 1.00 1.00 C -ATOM 24309 CG TYR D 427 -44.611 26.850 1.335 1.00 1.00 C -ATOM 24310 CD1 TYR D 427 -44.887 27.871 0.436 1.00 1.00 C -ATOM 24315 CD2 TYR D 427 -45.634 25.951 1.646 1.00 1.00 C -ATOM 24311 CE1 TYR D 427 -46.144 28.016 -0.123 1.00 1.00 C -ATOM 24314 CE2 TYR D 427 -46.901 26.084 1.080 1.00 1.00 C -ATOM 24312 CZ TYR D 427 -47.148 27.125 0.197 1.00 1.00 C -ATOM 24313 OH TYR D 427 -48.388 27.292 -0.384 1.00 1.00 O -ATOM 24318 N PRO D 428 -40.877 24.470 2.111 1.00 1.00 N -ATOM 24319 CA PRO D 428 -39.412 24.407 2.146 1.00 1.00 C -ATOM 24323 C PRO D 428 -38.780 25.794 1.927 1.00 1.00 C -ATOM 24324 O PRO D 428 -39.242 26.570 1.088 1.00 1.00 O -ATOM 24320 CB PRO D 428 -39.080 23.448 0.999 1.00 1.00 C -ATOM 24321 CG PRO D 428 -40.300 22.556 0.906 1.00 1.00 C -ATOM 24322 CD PRO D 428 -41.464 23.464 1.207 1.00 1.00 C -ATOM 24325 N LEU D 429 -37.730 26.094 2.687 1.00 1.00 N -ATOM 24326 CA LEU D 429 -37.187 27.443 2.746 1.00 1.00 C -ATOM 24331 C LEU D 429 -35.746 27.501 2.263 1.00 1.00 C -ATOM 24332 O LEU D 429 -35.130 28.570 2.268 1.00 1.00 O -ATOM 24327 CB LEU D 429 -37.263 27.984 4.183 1.00 1.00 C -ATOM 24328 CG LEU D 429 -38.635 28.001 4.869 1.00 1.00 C -ATOM 24329 CD1 LEU D 429 -38.499 28.439 6.318 1.00 1.00 C -ATOM 24330 CD2 LEU D 429 -39.627 28.891 4.127 1.00 1.00 C -ATOM 24333 N TYR D 430 -35.205 26.358 1.848 1.00 1.00 N -ATOM 24334 CA TYR D 430 -33.801 26.290 1.441 1.00 1.00 C -ATOM 24343 C TYR D 430 -33.642 25.744 0.019 1.00 1.00 C -ATOM 24344 O TYR D 430 -33.453 24.538 -0.183 1.00 1.00 O -ATOM 24335 CB TYR D 430 -33.003 25.467 2.455 1.00 1.00 C -ATOM 24336 CG TYR D 430 -33.100 26.007 3.878 1.00 1.00 C -ATOM 24337 CD1 TYR D 430 -34.050 25.517 4.771 1.00 1.00 C -ATOM 24342 CD2 TYR D 430 -32.248 27.016 4.319 1.00 1.00 C -ATOM 24338 CE1 TYR D 430 -34.138 26.008 6.063 1.00 1.00 C -ATOM 24341 CE2 TYR D 430 -32.327 27.508 5.597 1.00 1.00 C -ATOM 24339 CZ TYR D 430 -33.272 27.005 6.471 1.00 1.00 C -ATOM 24340 OH TYR D 430 -33.343 27.506 7.759 1.00 1.00 O -ATOM 24345 N ASN D 431 -33.695 26.644 -0.961 1.00 1.00 N -ATOM 24346 CA ASN D 431 -33.917 26.227 -2.342 1.00 1.00 C -ATOM 24351 C ASN D 431 -32.841 26.514 -3.395 1.00 1.00 C -ATOM 24352 O ASN D 431 -33.100 26.324 -4.579 1.00 1.00 O -ATOM 24347 CB ASN D 431 -35.258 26.776 -2.826 1.00 1.00 C -ATOM 24348 CG ASN D 431 -36.411 26.309 -1.970 1.00 1.00 C -ATOM 24350 ND2 ASN D 431 -37.205 27.253 -1.476 1.00 1.00 N -ATOM 24349 OD1 ASN D 431 -36.588 25.111 -1.757 1.00 1.00 O -ATOM 24353 N VAL D 432 -31.649 26.955 -2.994 1.00 1.00 N -ATOM 24354 CA VAL D 432 -30.593 27.212 -3.982 1.00 1.00 C -ATOM 24358 C VAL D 432 -29.567 26.072 -4.076 1.00 1.00 C -ATOM 24359 O VAL D 432 -28.916 25.904 -5.111 1.00 1.00 O -ATOM 24355 CB VAL D 432 -29.883 28.587 -3.774 1.00 1.00 C -ATOM 24356 CG1 VAL D 432 -28.426 28.414 -3.342 1.00 1.00 C -ATOM 24357 CG2 VAL D 432 -30.663 29.455 -2.809 1.00 1.00 C -ATOM 24360 N SER D 433 -29.448 25.286 -3.004 1.00 1.00 N -ATOM 24361 CA SER D 433 -28.577 24.105 -2.985 1.00 1.00 C -ATOM 24364 C SER D 433 -28.942 23.089 -4.078 1.00 1.00 C -ATOM 24365 O SER D 433 -28.083 22.347 -4.561 1.00 1.00 O -ATOM 24362 CB SER D 433 -28.618 23.428 -1.608 1.00 1.00 C -ATOM 24363 OG SER D 433 -29.894 22.862 -1.347 1.00 1.00 O -ATOM 24366 N SER D 434 -30.216 23.070 -4.465 1.00 1.00 N -ATOM 24367 CA SER D 434 -30.732 22.137 -5.468 1.00 1.00 C -ATOM 24370 C SER D 434 -30.337 22.479 -6.916 1.00 1.00 C -ATOM 24371 O SER D 434 -31.078 22.174 -7.856 1.00 1.00 O -ATOM 24368 CB SER D 434 -32.258 22.084 -5.371 1.00 1.00 C -ATOM 24369 OG SER D 434 -32.832 23.325 -5.762 1.00 1.00 O -ATOM 24372 N LEU D 435 -29.181 23.111 -7.095 1.00 1.00 N -ATOM 24373 CA LEU D 435 -28.743 23.544 -8.419 1.00 1.00 C -ATOM 24378 C LEU D 435 -27.372 22.972 -8.756 1.00 1.00 C -ATOM 24379 O LEU D 435 -26.661 22.479 -7.878 1.00 1.00 O -ATOM 24374 CB LEU D 435 -28.714 25.075 -8.495 1.00 1.00 C -ATOM 24375 CG LEU D 435 -30.049 25.776 -8.216 1.00 1.00 C -ATOM 24376 CD1 LEU D 435 -29.873 27.278 -8.087 1.00 1.00 C -ATOM 24377 CD2 LEU D 435 -31.069 25.448 -9.295 1.00 1.00 C -ATOM 19708 N PRO F 443 -13.474 33.217 -23.275 1.00 1.00 N -ATOM 19709 CA PRO F 443 -13.159 31.798 -23.464 1.00 1.00 C -ATOM 19710 C PRO F 443 -12.383 31.249 -22.277 1.00 1.00 C -ATOM 19711 O PRO F 443 -11.753 32.013 -21.543 1.00 1.00 O -ATOM 19712 CB PRO F 443 -12.246 31.793 -24.697 1.00 1.00 C -ATOM 19713 CG PRO F 443 -12.277 33.182 -25.239 1.00 1.00 C -ATOM 19714 CD PRO F 443 -12.627 34.077 -24.111 1.00 1.00 C -ATOM 19715 N GLN F 444 -12.414 29.934 -22.100 1.00 1.00 N -ATOM 19716 CA GLN F 444 -11.614 29.301 -21.068 1.00 1.00 C -ATOM 19717 C GLN F 444 -10.158 29.208 -21.506 1.00 1.00 C -ATOM 19718 O GLN F 444 -9.844 29.337 -22.692 1.00 1.00 O -ATOM 19719 CB GLN F 444 -12.168 27.914 -20.744 1.00 1.00 C -ATOM 19720 CG GLN F 444 -13.526 27.944 -20.055 1.00 1.00 C -ATOM 19721 CD GLN F 444 -14.144 26.564 -19.959 1.00 1.00 C -ATOM 19723 NE2 GLN F 444 -15.112 26.407 -19.058 1.00 1.00 N -ATOM 19722 OE1 GLN F 444 -13.755 25.646 -20.690 1.00 1.00 O -ATOM 19724 N ASP F 445 -9.279 28.989 -20.534 1.00 1.00 N -ATOM 19725 CA ASP F 445 -7.845 28.859 -20.772 1.00 1.00 C -ATOM 19726 C ASP F 445 -7.554 27.787 -21.828 1.00 1.00 C -ATOM 19727 O ASP F 445 -7.951 26.631 -21.676 1.00 1.00 O -ATOM 19728 CB ASP F 445 -7.142 28.513 -19.456 1.00 1.00 C -ATOM 19729 CG ASP F 445 -5.635 28.664 -19.532 1.00 1.00 C -ATOM 19730 OD1 ASP F 445 -5.075 28.592 -20.649 1.00 1.00 O -ATOM 19731 OD2 ASP F 445 -5.006 28.855 -18.465 1.00 1.00 O -ATOM 19732 N MET F 446 -6.861 28.181 -22.893 1.00 1.00 N -ATOM 19733 CA MET F 446 -6.552 27.279 -24.001 1.00 1.00 C -ATOM 19734 C MET F 446 -5.099 27.409 -24.448 1.00 1.00 C -ATOM 19735 O MET F 446 -4.577 28.514 -24.590 1.00 1.00 O -ATOM 19736 CB MET F 446 -7.466 27.568 -25.194 1.00 1.00 C -ATOM 19737 CG MET F 446 -8.906 27.095 -25.046 1.00 1.00 C -ATOM 19738 SD MET F 446 -9.088 25.325 -25.337 1.00 1.00 S -ATOM 19739 CE MET F 446 -7.811 25.047 -26.570 1.00 1.00 C -ATOM 19740 N ASP F 447 -4.455 26.273 -24.690 1.00 1.00 N -ATOM 19741 CA ASP F 447 -3.072 26.266 -25.150 1.00 1.00 C -ATOM 19746 C ASP F 447 -3.008 26.013 -26.652 1.00 1.00 C -ATOM 19747 O ASP F 447 -2.725 24.898 -27.087 1.00 1.00 O -ATOM 19742 CB ASP F 447 -2.274 25.194 -24.408 1.00 1.00 C -ATOM 19743 CG ASP F 447 -0.809 25.185 -24.792 1.00 1.00 C -ATOM 19744 OD1 ASP F 447 -0.297 24.104 -25.157 1.00 1.00 O -ATOM 19745 OD2 ASP F 447 -0.170 26.254 -24.736 1.00 1.00 O -ATOM 19748 N TRP F 448 -3.269 27.049 -27.444 1.00 1.00 N -ATOM 19749 CA TRP F 448 -3.303 26.893 -28.894 1.00 1.00 C -ATOM 19760 C TRP F 448 -1.916 26.655 -29.485 1.00 1.00 C -ATOM 19761 O TRP F 448 -1.793 26.224 -30.631 1.00 1.00 O -ATOM 19750 CB TRP F 448 -3.979 28.090 -29.567 1.00 1.00 C -ATOM 19751 CG TRP F 448 -5.392 28.308 -29.107 1.00 1.00 C -ATOM 19752 CD1 TRP F 448 -5.823 29.239 -28.207 1.00 1.00 C -ATOM 19755 CD2 TRP F 448 -6.556 27.574 -29.515 1.00 1.00 C -ATOM 19754 CE2 TRP F 448 -7.657 28.120 -28.823 1.00 1.00 C -ATOM 19756 CE3 TRP F 448 -6.774 26.510 -30.399 1.00 1.00 C -ATOM 19753 NE1 TRP F 448 -7.182 29.133 -28.030 1.00 1.00 N -ATOM 19759 CZ2 TRP F 448 -8.957 27.637 -28.983 1.00 1.00 C -ATOM 19757 CZ3 TRP F 448 -8.067 26.035 -30.563 1.00 1.00 C -ATOM 19758 CH2 TRP F 448 -9.143 26.598 -29.856 1.00 1.00 C -ATOM 19762 N SER F 449 -0.878 26.921 -28.698 1.00 1.00 N -ATOM 19763 CA SER F 449 0.497 26.724 -29.163 1.00 1.00 C -ATOM 19766 C SER F 449 0.788 25.250 -29.432 1.00 1.00 C -ATOM 19767 O SER F 449 1.616 24.917 -30.274 1.00 1.00 O -ATOM 19764 CB SER F 449 1.501 27.274 -28.147 1.00 1.00 C -ATOM 19765 OG SER F 449 1.508 26.495 -26.962 1.00 1.00 O -ATOM 19768 N LYS F 450 0.109 24.366 -28.711 1.00 1.00 N -ATOM 19769 CA LYS F 450 0.293 22.934 -28.921 1.00 1.00 C -ATOM 19775 C LYS F 450 -0.329 22.452 -30.230 1.00 1.00 C -ATOM 19776 O LYS F 450 0.085 21.435 -30.777 1.00 1.00 O -ATOM 19770 CB LYS F 450 -0.257 22.132 -27.739 1.00 1.00 C -ATOM 19771 CG LYS F 450 0.810 21.715 -26.735 1.00 1.00 C -ATOM 19772 CD LYS F 450 2.092 21.285 -27.450 1.00 1.00 C -ATOM 19773 CE LYS F 450 2.964 20.388 -26.574 1.00 1.00 C -ATOM 19774 NZ LYS F 450 2.536 18.952 -26.608 1.00 1.00 N -ATOM 19777 N LEU F 451 -1.324 23.183 -30.726 1.00 1.00 N -ATOM 19778 CA LEU F 451 -1.968 22.835 -31.990 1.00 1.00 C -ATOM 19783 C LEU F 451 -1.293 23.537 -33.172 1.00 1.00 C -ATOM 19784 O LEU F 451 -1.253 23.008 -34.285 1.00 1.00 O -ATOM 19779 CB LEU F 451 -3.464 23.181 -31.955 1.00 1.00 C -ATOM 19780 CG LEU F 451 -4.348 22.513 -30.895 1.00 1.00 C -ATOM 19781 CD1 LEU F 451 -5.815 22.605 -31.287 1.00 1.00 C -ATOM 19782 CD2 LEU F 451 -3.955 21.060 -30.678 1.00 1.00 C -ATOM 19785 N TYR F 452 -0.765 24.733 -32.932 1.00 1.00 N -ATOM 19786 CA TYR F 452 -0.119 25.499 -33.997 1.00 1.00 C -ATOM 19795 C TYR F 452 1.240 26.032 -33.553 1.00 1.00 C -ATOM 19796 O TYR F 452 1.464 27.240 -33.537 1.00 1.00 O -ATOM 19787 CB TYR F 452 -1.020 26.649 -34.441 1.00 1.00 C -ATOM 19788 CG TYR F 452 -2.438 26.227 -34.745 1.00 1.00 C -ATOM 19789 CD1 TYR F 452 -3.446 26.366 -33.792 1.00 1.00 C -ATOM 19794 CD2 TYR F 452 -2.772 25.686 -35.981 1.00 1.00 C -ATOM 19790 CE1 TYR F 452 -4.743 25.976 -34.061 1.00 1.00 C -ATOM 19793 CE2 TYR F 452 -4.070 25.290 -36.257 1.00 1.00 C -ATOM 19791 CZ TYR F 452 -5.048 25.439 -35.294 1.00 1.00 C -ATOM 19792 OH TYR F 452 -6.334 25.053 -35.576 1.00 1.00 O -ATOM 19797 N PRO F 453 2.156 25.121 -33.193 1.00 1.00 N -ATOM 19798 CA PRO F 453 3.447 25.500 -32.606 1.00 1.00 C -ATOM 19802 C PRO F 453 4.253 26.373 -33.555 1.00 1.00 C -ATOM 19803 O PRO F 453 5.149 27.101 -33.134 1.00 1.00 O -ATOM 19799 CB PRO F 453 4.151 24.152 -32.402 1.00 1.00 C -ATOM 19800 CG PRO F 453 3.066 23.129 -32.434 1.00 1.00 C -ATOM 19801 CD PRO F 453 2.039 23.665 -33.378 1.00 1.00 C -ATOM 19804 N TYR F 454 3.919 26.298 -34.836 1.00 1.00 N -ATOM 19805 CA TYR F 454 4.611 27.067 -35.853 1.00 1.00 C -ATOM 19814 C TYR F 454 4.346 28.564 -35.754 1.00 1.00 C -ATOM 19815 O TYR F 454 4.778 29.331 -36.615 1.00 1.00 O -ATOM 19806 CB TYR F 454 4.188 26.581 -37.231 1.00 1.00 C -ATOM 19807 CG TYR F 454 5.069 27.084 -38.341 1.00 1.00 C -ATOM 19808 CD1 TYR F 454 6.438 26.860 -38.314 1.00 1.00 C -ATOM 19813 CD2 TYR F 454 4.538 27.782 -39.418 1.00 1.00 C -ATOM 19809 CE1 TYR F 454 7.257 27.320 -39.328 1.00 1.00 C -ATOM 19812 CE2 TYR F 454 5.351 28.245 -40.440 1.00 1.00 C -ATOM 19810 CZ TYR F 454 6.711 28.008 -40.387 1.00 1.00 C -ATOM 19811 OH TYR F 454 7.533 28.458 -41.389 1.00 1.00 O -ATOM 19816 N TYR F 455 3.627 28.976 -34.714 1.00 1.00 N -ATOM 19817 CA TYR F 455 3.265 30.377 -34.540 1.00 1.00 C -ATOM 19826 C TYR F 455 3.372 30.784 -33.084 1.00 1.00 C -ATOM 19827 O TYR F 455 2.727 31.746 -32.669 1.00 1.00 O -ATOM 19818 CB TYR F 455 1.828 30.623 -35.004 1.00 1.00 C -ATOM 19819 CG TYR F 455 1.537 30.169 -36.413 1.00 1.00 C -ATOM 19820 CD1 TYR F 455 1.187 28.849 -36.685 1.00 1.00 C -ATOM 19825 CD2 TYR F 455 1.601 31.058 -37.473 1.00 1.00 C -ATOM 19821 CE1 TYR F 455 0.920 28.432 -37.984 1.00 1.00 C -ATOM 19824 CE2 TYR F 455 1.338 30.649 -38.766 1.00 1.00 C -ATOM 19822 CZ TYR F 455 0.996 29.340 -39.013 1.00 1.00 C -ATOM 19823 OH TYR F 455 0.728 28.950 -40.301 1.00 1.00 O -ATOM 19828 N LYS F 456 4.185 30.062 -32.313 1.00 1.00 N -ATOM 19829 CA LYS F 456 4.175 30.205 -30.856 1.00 1.00 C -ATOM 19835 C LYS F 456 4.442 31.628 -30.350 1.00 1.00 C -ATOM 19836 O LYS F 456 4.895 32.500 -31.101 1.00 1.00 O -ATOM 19830 CB LYS F 456 5.094 29.193 -30.168 1.00 1.00 C -ATOM 19831 CG LYS F 456 4.727 28.985 -28.708 1.00 1.00 C -ATOM 19832 CD LYS F 456 5.695 28.091 -27.967 1.00 1.00 C -ATOM 19833 CE LYS F 456 5.362 28.095 -26.480 1.00 1.00 C -ATOM 19834 NZ LYS F 456 6.269 27.224 -25.686 1.00 1.00 N -ATOM 19837 N GLN F 462 4.185 31.829 -29.058 1.00 1.00 N -ATOM 19838 CA GLN F 462 3.884 33.148 -28.521 1.00 1.00 C -ATOM 19844 C GLN F 462 2.775 33.657 -29.424 1.00 1.00 C -ATOM 19845 O GLN F 462 2.873 34.732 -30.015 1.00 1.00 O -ATOM 19839 CB GLN F 462 5.095 34.076 -28.551 1.00 1.00 C -ATOM 19840 CG GLN F 462 5.112 35.065 -27.392 1.00 1.00 C -ATOM 19841 CD GLN F 462 3.714 35.473 -26.963 1.00 1.00 C -ATOM 19843 NE2 GLN F 462 3.195 34.811 -25.933 1.00 1.00 N -ATOM 19842 OE1 GLN F 462 3.106 36.370 -27.548 1.00 1.00 O -ATOM 19846 N MET F 463 1.725 32.843 -29.515 1.00 1.00 N -ATOM 19847 CA MET F 463 0.682 32.949 -30.539 1.00 1.00 C -ATOM 19852 C MET F 463 0.668 34.212 -31.401 1.00 1.00 C -ATOM 19853 O MET F 463 0.360 35.311 -30.939 1.00 1.00 O -ATOM 19848 CB MET F 463 -0.694 32.635 -29.955 1.00 1.00 C -ATOM 19849 CG MET F 463 -1.183 31.244 -30.334 1.00 1.00 C -ATOM 19850 SD MET F 463 0.162 30.066 -30.621 1.00 1.00 S -ATOM 19851 CE MET F 463 -0.259 29.517 -32.272 1.00 1.00 C -ATOM 19854 N THR F 464 1.011 34.008 -32.668 1.00 1.00 N -ATOM 19855 CA THR F 464 1.106 35.056 -33.669 1.00 1.00 C -ATOM 19859 C THR F 464 -0.232 35.258 -34.360 1.00 1.00 C -ATOM 19860 O THR F 464 -0.528 36.340 -34.870 1.00 1.00 O -ATOM 19856 CB THR F 464 2.171 34.683 -34.722 1.00 1.00 C -ATOM 19858 CG2 THR F 464 1.851 35.301 -36.067 1.00 1.00 C -ATOM 19857 OG1 THR F 464 3.455 35.141 -34.284 1.00 1.00 O -ATOM 19861 N LYS F 465 -1.042 34.207 -34.370 1.00 1.00 N -ATOM 19862 CA LYS F 465 -2.365 34.258 -34.977 1.00 1.00 C -ATOM 19868 C LYS F 465 -3.390 33.621 -34.054 1.00 1.00 C -ATOM 19869 O LYS F 465 -3.044 33.063 -33.016 1.00 1.00 O -ATOM 19863 CB LYS F 465 -2.366 33.520 -36.312 1.00 1.00 C -ATOM 19864 CG LYS F 465 -1.562 34.199 -37.400 1.00 1.00 C -ATOM 19865 CD LYS F 465 -1.586 33.383 -38.678 1.00 1.00 C -ATOM 19866 CE LYS F 465 -0.943 34.148 -39.816 1.00 1.00 C -ATOM 19867 NZ LYS F 465 -0.727 33.260 -40.993 1.00 1.00 N -ATOM 19870 N LYS F 466 -4.654 33.712 -34.444 1.00 1.00 N -ATOM 19871 CA LYS F 466 -5.732 33.090 -33.705 1.00 1.00 C -ATOM 19877 C LYS F 466 -6.445 32.176 -34.677 1.00 1.00 C -ATOM 19878 O LYS F 466 -6.279 32.317 -35.888 1.00 1.00 O -ATOM 19872 CB LYS F 466 -6.705 34.147 -33.183 1.00 1.00 C -ATOM 19873 CG LYS F 466 -6.030 35.310 -32.483 1.00 1.00 C -ATOM 19874 CD LYS F 466 -7.037 36.333 -31.980 1.00 1.00 C -ATOM 19875 CE LYS F 466 -7.520 35.989 -30.586 1.00 1.00 C -ATOM 19876 NZ LYS F 466 -6.393 36.024 -29.616 1.00 1.00 N -ATOM 19879 N VAL F 467 -7.236 31.242 -34.158 1.00 1.00 N -ATOM 19880 CA VAL F 467 -8.066 30.422 -35.025 1.00 1.00 C -ATOM 19884 C VAL F 467 -9.144 31.299 -35.633 1.00 1.00 C -ATOM 19885 O VAL F 467 -9.849 32.018 -34.924 1.00 1.00 O -ATOM 19881 CB VAL F 467 -8.723 29.248 -34.275 1.00 1.00 C -ATOM 19882 CG1 VAL F 467 -9.926 28.721 -35.066 1.00 1.00 C -ATOM 19883 CG2 VAL F 467 -7.699 28.156 -34.023 1.00 1.00 C -ATOM 19886 N THR F 468 -9.277 31.221 -36.950 1.00 1.00 N -ATOM 19887 CA THR F 468 -10.191 32.090 -37.667 1.00 1.00 C -ATOM 19891 C THR F 468 -11.236 31.330 -38.495 1.00 1.00 C -ATOM 19892 O THR F 468 -12.303 31.862 -38.808 1.00 1.00 O -ATOM 19888 CB THR F 468 -9.378 33.042 -38.560 1.00 1.00 C -ATOM 19890 CG2 THR F 468 -9.988 33.141 -39.923 1.00 1.00 C -ATOM 19889 OG1 THR F 468 -9.321 34.336 -37.940 1.00 1.00 O -ATOM 19893 N ILE F 469 -10.920 30.090 -38.856 1.00 1.00 N -ATOM 19894 CA ILE F 469 -11.837 29.262 -39.623 1.00 1.00 C -ATOM 19899 C ILE F 469 -12.150 27.987 -38.829 1.00 1.00 C -ATOM 19900 O ILE F 469 -11.239 27.301 -38.367 1.00 1.00 O -ATOM 19895 CB ILE F 469 -11.232 28.909 -41.001 1.00 1.00 C -ATOM 19896 CG1 ILE F 469 -10.954 30.192 -41.806 1.00 1.00 C -ATOM 19898 CG2 ILE F 469 -12.149 27.965 -41.774 1.00 1.00 C -ATOM 19897 CD1 ILE F 469 -10.240 29.962 -43.128 1.00 1.00 C -ATOM 19901 N ALA F 470 -13.431 27.678 -38.652 1.00 1.00 N -ATOM 19902 CA ALA F 470 -13.822 26.513 -37.852 1.00 1.00 C -ATOM 19904 C ALA F 470 -14.654 25.508 -38.646 1.00 1.00 C -ATOM 19905 O ALA F 470 -15.668 25.859 -39.246 1.00 1.00 O -ATOM 19903 CB ALA F 470 -14.571 26.949 -36.593 1.00 1.00 C -ATOM 19906 N ASP F 471 -14.212 24.256 -38.655 1.00 1.00 N -ATOM 19907 CA ASP F 471 -14.960 23.192 -39.308 1.00 1.00 C -ATOM 19912 C ASP F 471 -15.662 22.355 -38.238 1.00 1.00 C -ATOM 19913 O ASP F 471 -15.034 21.576 -37.522 1.00 1.00 O -ATOM 19908 CB ASP F 471 -14.024 22.334 -40.160 1.00 1.00 C -ATOM 19909 CG ASP F 471 -14.760 21.274 -40.971 1.00 1.00 C -ATOM 19910 OD1 ASP F 471 -16.013 21.255 -40.983 1.00 1.00 O -ATOM 19911 OD2 ASP F 471 -14.074 20.449 -41.608 1.00 1.00 O -ATOM 19914 N ILE F 472 -16.970 22.532 -38.129 1.00 1.00 N -ATOM 19915 CA ILE F 472 -17.732 21.973 -37.024 1.00 1.00 C -ATOM 19920 C ILE F 472 -18.250 20.590 -37.385 1.00 1.00 C -ATOM 19921 O ILE F 472 -19.098 20.465 -38.264 1.00 1.00 O -ATOM 19916 CB ILE F 472 -18.930 22.876 -36.676 1.00 1.00 C -ATOM 19917 CG1 ILE F 472 -18.446 24.280 -36.299 1.00 1.00 C -ATOM 19919 CG2 ILE F 472 -19.788 22.241 -35.565 1.00 1.00 C -ATOM 19918 CD1 ILE F 472 -17.569 24.314 -35.068 1.00 1.00 C -ATOM 19922 N GLY F 473 -17.771 19.566 -36.677 1.00 1.00 N -ATOM 19923 CA GLY F 473 -18.074 18.187 -37.014 1.00 1.00 C -ATOM 19924 C GLY F 473 -17.294 17.768 -38.250 1.00 1.00 C -ATOM 19925 O GLY F 473 -17.872 17.298 -39.223 1.00 1.00 O -ATOM 19926 N CYS F 474 -15.976 17.939 -38.204 1.00 1.00 N -ATOM 19927 CA CYS F 474 -15.129 17.817 -39.391 1.00 1.00 C -ATOM 19930 C CYS F 474 -14.960 16.384 -39.911 1.00 1.00 C -ATOM 19931 O CYS F 474 -14.529 16.179 -41.044 1.00 1.00 O -ATOM 19928 CB CYS F 474 -13.749 18.433 -39.126 1.00 1.00 C -ATOM 19929 SG CYS F 474 -12.853 17.742 -37.686 1.00 1.00 S -ATOM 19932 N GLY F 475 -15.293 15.389 -39.091 1.00 1.00 N -ATOM 19933 CA GLY F 475 -15.067 14.017 -39.499 1.00 1.00 C -ATOM 19934 C GLY F 475 -13.583 13.783 -39.730 1.00 1.00 C -ATOM 19935 O GLY F 475 -12.763 14.121 -38.878 1.00 1.00 O -ATOM 19936 N PHE F 476 -13.226 13.238 -40.888 1.00 1.00 N -ATOM 19937 CA PHE F 476 -11.831 12.849 -41.138 1.00 1.00 C -ATOM 19945 C PHE F 476 -10.906 13.972 -41.634 1.00 1.00 C -ATOM 19946 O PHE F 476 -9.712 13.748 -41.852 1.00 1.00 O -ATOM 19938 CB PHE F 476 -11.762 11.627 -42.059 1.00 1.00 C -ATOM 19939 CG PHE F 476 -12.240 10.355 -41.403 1.00 1.00 C -ATOM 19940 CD1 PHE F 476 -13.483 9.823 -41.709 1.00 1.00 C -ATOM 19944 CD2 PHE F 476 -11.449 9.705 -40.467 1.00 1.00 C -ATOM 19941 CE1 PHE F 476 -13.917 8.655 -41.111 1.00 1.00 C -ATOM 19943 CE2 PHE F 476 -11.876 8.534 -39.862 1.00 1.00 C -ATOM 19942 CZ PHE F 476 -13.113 8.008 -40.180 1.00 1.00 C -ATOM 19947 N GLY F 477 -11.458 15.173 -41.803 1.00 1.00 N -ATOM 19948 CA GLY F 477 -10.648 16.369 -41.969 1.00 1.00 C -ATOM 19949 C GLY F 477 -10.452 16.855 -43.387 1.00 1.00 C -ATOM 19950 O GLY F 477 -9.725 17.827 -43.614 1.00 1.00 O -ATOM 19951 N GLY F 478 -11.103 16.186 -44.335 1.00 1.00 N -ATOM 19952 CA GLY F 478 -10.961 16.489 -45.747 1.00 1.00 C -ATOM 19953 C GLY F 478 -11.068 17.973 -46.067 1.00 1.00 C -ATOM 19954 O GLY F 478 -10.249 18.509 -46.814 1.00 1.00 O -ATOM 19955 N LEU F 479 -12.070 18.634 -45.490 1.00 1.00 N -ATOM 19956 CA LEU F 479 -12.306 20.047 -45.748 1.00 1.00 C -ATOM 19961 C LEU F 479 -11.111 20.885 -45.319 1.00 1.00 C -ATOM 19962 O LEU F 479 -10.601 21.688 -46.099 1.00 1.00 O -ATOM 19957 CB LEU F 479 -13.585 20.540 -45.063 1.00 1.00 C -ATOM 19958 CG LEU F 479 -13.907 22.023 -45.332 1.00 1.00 C -ATOM 19959 CD1 LEU F 479 -14.296 22.251 -46.789 1.00 1.00 C -ATOM 19960 CD2 LEU F 479 -14.997 22.537 -44.412 1.00 1.00 C -ATOM 19963 N MET F 480 -10.659 20.686 -44.085 1.00 1.00 N -ATOM 19964 CA MET F 480 -9.464 21.355 -43.581 1.00 1.00 C -ATOM 19969 C MET F 480 -8.258 21.160 -44.493 1.00 1.00 C -ATOM 19970 O MET F 480 -7.504 22.090 -44.728 1.00 1.00 O -ATOM 19965 CB MET F 480 -9.086 20.813 -42.208 1.00 1.00 C -ATOM 19966 CG MET F 480 -9.963 21.248 -41.076 1.00 1.00 C -ATOM 19967 SD MET F 480 -9.255 20.668 -39.523 1.00 1.00 S -ATOM 19968 CE MET F 480 -9.366 18.892 -39.707 1.00 1.00 C -ATOM 19971 N ILE F 481 -8.046 19.929 -44.955 1.00 1.00 N -ATOM 19972 CA ILE F 481 -6.901 19.622 -45.797 1.00 1.00 C -ATOM 19977 C ILE F 481 -6.927 20.513 -47.028 1.00 1.00 C -ATOM 19978 O ILE F 481 -5.911 21.080 -47.412 1.00 1.00 O -ATOM 19973 CB ILE F 481 -6.892 18.150 -46.266 1.00 1.00 C -ATOM 19974 CG1 ILE F 481 -7.135 17.191 -45.099 1.00 1.00 C -ATOM 19976 CG2 ILE F 481 -5.577 17.819 -46.941 1.00 1.00 C -ATOM 19975 CD1 ILE F 481 -5.993 17.105 -44.130 1.00 1.00 C -ATOM 19979 N ASP F 482 -8.106 20.637 -47.626 1.00 1.00 N -ATOM 19980 CA ASP F 482 -8.277 21.419 -48.840 1.00 1.00 C -ATOM 19985 C ASP F 482 -8.217 22.919 -48.584 1.00 1.00 C -ATOM 19986 O ASP F 482 -7.608 23.660 -49.357 1.00 1.00 O -ATOM 19981 CB ASP F 482 -9.601 21.063 -49.516 1.00 1.00 C -ATOM 19982 CG ASP F 482 -9.525 19.763 -50.293 1.00 1.00 C -ATOM 19983 OD1 ASP F 482 -8.408 19.213 -50.429 1.00 1.00 O -ATOM 19984 OD2 ASP F 482 -10.585 19.290 -50.762 1.00 1.00 O -ATOM 19987 N LEU F 483 -8.858 23.366 -47.508 1.00 1.00 N -ATOM 19988 CA LEU F 483 -8.855 24.787 -47.166 1.00 1.00 C -ATOM 19993 C LEU F 483 -7.440 25.255 -46.840 1.00 1.00 C -ATOM 19994 O LEU F 483 -7.072 26.395 -47.132 1.00 1.00 O -ATOM 19989 CB LEU F 483 -9.783 25.068 -45.976 1.00 1.00 C -ATOM 19990 CG LEU F 483 -11.297 25.033 -46.216 1.00 1.00 C -ATOM 19991 CD1 LEU F 483 -12.048 25.082 -44.895 1.00 1.00 C -ATOM 19992 CD2 LEU F 483 -11.733 26.188 -47.121 1.00 1.00 C -ATOM 19995 N SER F 484 -6.650 24.367 -46.250 1.00 1.00 N -ATOM 19996 CA SER F 484 -5.332 24.730 -45.744 1.00 1.00 C -ATOM 19999 C SER F 484 -4.509 25.623 -46.696 1.00 1.00 C -ATOM 20000 O SER F 484 -4.086 26.714 -46.306 1.00 1.00 O -ATOM 19997 CB SER F 484 -4.545 23.481 -45.348 1.00 1.00 C -ATOM 19998 OG SER F 484 -3.314 23.839 -44.746 1.00 1.00 O -ATOM 20001 N PRO F 485 -4.277 25.161 -47.939 1.00 1.00 N -ATOM 20002 CA PRO F 485 -3.493 25.935 -48.914 1.00 1.00 C -ATOM 20006 C PRO F 485 -4.269 27.117 -49.499 1.00 1.00 C -ATOM 20007 O PRO F 485 -3.666 28.121 -49.857 1.00 1.00 O -ATOM 20003 CB PRO F 485 -3.192 24.913 -50.032 1.00 1.00 C -ATOM 20004 CG PRO F 485 -3.568 23.564 -49.464 1.00 1.00 C -ATOM 20005 CD PRO F 485 -4.659 23.843 -48.471 1.00 1.00 C -ATOM 20008 N ALA F 486 -5.586 26.987 -49.613 1.00 1.00 N -ATOM 20009 CA ALA F 486 -6.418 28.086 -50.093 1.00 1.00 C -ATOM 20011 C ALA F 486 -6.338 29.296 -49.162 1.00 1.00 C -ATOM 20012 O ALA F 486 -6.401 30.431 -49.611 1.00 1.00 O -ATOM 20010 CB ALA F 486 -7.865 27.634 -50.246 1.00 1.00 C -ATOM 20013 N PHE F 487 -6.196 29.043 -47.864 1.00 1.00 N -ATOM 20014 CA PHE F 487 -6.152 30.106 -46.874 1.00 1.00 C -ATOM 20022 C PHE F 487 -4.923 29.983 -45.993 1.00 1.00 C -ATOM 20023 O PHE F 487 -5.033 29.730 -44.795 1.00 1.00 O -ATOM 20015 CB PHE F 487 -7.434 30.091 -46.036 1.00 1.00 C -ATOM 20016 CG PHE F 487 -8.662 30.357 -46.839 1.00 1.00 C -ATOM 20017 CD1 PHE F 487 -9.353 29.316 -47.436 1.00 1.00 C -ATOM 20021 CD2 PHE F 487 -9.103 31.661 -47.041 1.00 1.00 C -ATOM 20018 CE1 PHE F 487 -10.477 29.563 -48.196 1.00 1.00 C -ATOM 20020 CE2 PHE F 487 -10.218 31.922 -47.804 1.00 1.00 C -ATOM 20019 CZ PHE F 487 -10.909 30.875 -48.385 1.00 1.00 C -ATOM 20024 N PRO F 488 -3.740 30.189 -46.587 1.00 1.00 N -ATOM 20025 CA PRO F 488 -2.450 29.943 -45.936 1.00 1.00 C -ATOM 20029 C PRO F 488 -2.156 30.912 -44.799 1.00 1.00 C -ATOM 20030 O PRO F 488 -1.279 30.629 -43.986 1.00 1.00 O -ATOM 20026 CB PRO F 488 -1.446 30.138 -47.087 1.00 1.00 C -ATOM 20027 CG PRO F 488 -2.142 31.072 -48.027 1.00 1.00 C -ATOM 20028 CD PRO F 488 -3.562 30.581 -47.997 1.00 1.00 C -ATOM 20031 N GLU F 489 -2.877 32.028 -44.738 1.00 1.00 N -ATOM 20032 CA GLU F 489 -2.692 33.010 -43.672 1.00 1.00 C -ATOM 20038 C GLU F 489 -3.681 32.818 -42.515 1.00 1.00 C -ATOM 20039 O GLU F 489 -3.554 33.451 -41.463 1.00 1.00 O -ATOM 20033 CB GLU F 489 -2.828 34.430 -44.236 1.00 1.00 C -ATOM 20034 CG GLU F 489 -1.753 34.812 -45.248 1.00 1.00 C -ATOM 20035 CD GLU F 489 -0.360 34.764 -44.654 1.00 1.00 C -ATOM 20036 OE1 GLU F 489 -0.235 34.945 -43.424 1.00 1.00 O -ATOM 20037 OE2 GLU F 489 0.610 34.540 -45.412 1.00 1.00 O -ATOM 20040 N ASP F 490 -4.674 31.955 -42.719 1.00 1.00 N -ATOM 20041 CA ASP F 490 -5.690 31.706 -41.702 1.00 1.00 C -ATOM 20046 C ASP F 490 -5.428 30.418 -40.960 1.00 1.00 C -ATOM 20047 O ASP F 490 -5.089 29.397 -41.564 1.00 1.00 O -ATOM 20042 CB ASP F 490 -7.091 31.645 -42.320 1.00 1.00 C -ATOM 20043 CG ASP F 490 -7.556 32.991 -42.847 1.00 1.00 C -ATOM 20044 OD1 ASP F 490 -7.155 33.354 -43.970 1.00 1.00 O -ATOM 20045 OD2 ASP F 490 -8.333 33.682 -42.152 1.00 1.00 O -ATOM 20048 N LEU F 491 -5.584 30.463 -39.643 1.00 1.00 N -ATOM 20049 CA LEU F 491 -5.545 29.245 -38.854 1.00 1.00 C -ATOM 20054 C LEU F 491 -6.924 28.611 -38.901 1.00 1.00 C -ATOM 20055 O LEU F 491 -7.938 29.307 -38.772 1.00 1.00 O -ATOM 20050 CB LEU F 491 -5.111 29.525 -37.421 1.00 1.00 C -ATOM 20051 CG LEU F 491 -3.703 30.093 -37.232 1.00 1.00 C -ATOM 20052 CD1 LEU F 491 -3.273 29.930 -35.779 1.00 1.00 C -ATOM 20053 CD2 LEU F 491 -2.711 29.414 -38.153 1.00 1.00 C -ATOM 20056 N ILE F 492 -6.944 27.294 -39.115 1.00 1.00 N -ATOM 20057 CA ILE F 492 -8.160 26.525 -39.359 1.00 1.00 C -ATOM 20062 C ILE F 492 -8.279 25.398 -38.328 1.00 1.00 C -ATOM 20063 O ILE F 492 -7.312 24.681 -38.072 1.00 1.00 O -ATOM 20058 CB ILE F 492 -8.117 25.906 -40.782 1.00 1.00 C -ATOM 20059 CG1 ILE F 492 -7.994 27.007 -41.845 1.00 1.00 C -ATOM 20061 CG2 ILE F 492 -9.322 24.988 -41.048 1.00 1.00 C -ATOM 20060 CD1 ILE F 492 -7.304 26.535 -43.098 1.00 1.00 C -ATOM 20064 N LEU F 493 -9.458 25.247 -37.731 1.00 1.00 N -ATOM 20065 CA LEU F 493 -9.653 24.228 -36.706 1.00 1.00 C -ATOM 20070 C LEU F 493 -10.867 23.351 -36.976 1.00 1.00 C -ATOM 20071 O LEU F 493 -11.981 23.851 -37.121 1.00 1.00 O -ATOM 20066 CB LEU F 493 -9.767 24.851 -35.314 1.00 1.00 C -ATOM 20067 CG LEU F 493 -9.996 23.832 -34.183 1.00 1.00 C -ATOM 20068 CD1 LEU F 493 -8.751 22.991 -33.961 1.00 1.00 C -ATOM 20069 CD2 LEU F 493 -10.410 24.505 -32.876 1.00 1.00 C -ATOM 20072 N GLY F 494 -10.640 22.041 -37.050 1.00 1.00 N -ATOM 20073 CA GLY F 494 -11.729 21.087 -37.139 1.00 1.00 C -ATOM 20074 C GLY F 494 -12.113 20.643 -35.741 1.00 1.00 C -ATOM 20075 O GLY F 494 -11.246 20.345 -34.926 1.00 1.00 O -ATOM 20076 N MET F 495 -13.409 20.619 -35.455 1.00 1.00 N -ATOM 20077 CA MET F 495 -13.897 20.148 -34.165 1.00 1.00 C -ATOM 20082 C MET F 495 -14.691 18.886 -34.394 1.00 1.00 C -ATOM 20083 O MET F 495 -15.617 18.874 -35.201 1.00 1.00 O -ATOM 20078 CB MET F 495 -14.800 21.187 -33.487 1.00 1.00 C -ATOM 20079 CG MET F 495 -14.077 22.370 -32.868 1.00 1.00 C -ATOM 20080 SD MET F 495 -15.195 23.330 -31.807 1.00 1.00 S -ATOM 20081 CE MET F 495 -15.925 22.001 -30.836 1.00 1.00 C -ATOM 20084 N GLU F 496 -14.321 17.833 -33.669 1.00 1.00 N -ATOM 20085 CA GLU F 496 -14.928 16.510 -33.806 1.00 1.00 C -ATOM 20091 C GLU F 496 -15.254 15.905 -32.447 1.00 1.00 C -ATOM 20092 O GLU F 496 -14.412 15.900 -31.550 1.00 1.00 O -ATOM 20086 CB GLU F 496 -13.984 15.562 -34.549 1.00 1.00 C -ATOM 20087 CG GLU F 496 -14.515 15.071 -35.865 1.00 1.00 C -ATOM 20088 CD GLU F 496 -15.831 14.366 -35.720 1.00 1.00 C -ATOM 20089 OE1 GLU F 496 -16.691 14.547 -36.611 1.00 1.00 O -ATOM 20090 OE2 GLU F 496 -16.010 13.644 -34.717 1.00 1.00 O -ATOM 20093 N ILE F 497 -16.461 15.362 -32.321 1.00 1.00 N -ATOM 20094 CA ILE F 497 -16.929 14.810 -31.050 1.00 1.00 C -ATOM 20099 C ILE F 497 -16.485 13.368 -30.779 1.00 1.00 C -ATOM 20100 O ILE F 497 -16.476 12.926 -29.630 1.00 1.00 O -ATOM 20095 CB ILE F 497 -18.467 14.909 -30.912 1.00 1.00 C -ATOM 20096 CG1 ILE F 497 -18.871 14.820 -29.441 1.00 1.00 C -ATOM 20098 CG2 ILE F 497 -19.153 13.817 -31.713 1.00 1.00 C -ATOM 20097 CD1 ILE F 497 -20.362 15.016 -29.191 1.00 1.00 C -ATOM 20101 N ARG F 498 -16.124 12.632 -31.827 1.00 1.00 N -ATOM 20102 CA ARG F 498 -15.653 11.257 -31.658 1.00 1.00 C -ATOM 20110 C ARG F 498 -14.139 11.228 -31.503 1.00 1.00 C -ATOM 20111 O ARG F 498 -13.406 11.673 -32.403 1.00 1.00 O -ATOM 20103 CB ARG F 498 -16.061 10.399 -32.860 1.00 1.00 C -ATOM 20104 CG ARG F 498 -17.551 10.344 -33.100 1.00 1.00 C -ATOM 20105 CD ARG F 498 -17.890 9.622 -34.393 1.00 1.00 C -ATOM 20106 NE ARG F 498 -19.333 9.404 -34.498 1.00 1.00 N -ATOM 20107 CZ ARG F 498 -19.904 8.437 -35.212 1.00 1.00 C -ATOM 20108 NH1 ARG F 498 -19.163 7.566 -35.886 1.00 1.00 N -ATOM 20109 NH2 ARG F 498 -21.225 8.328 -35.233 1.00 1.00 N -ATOM 20112 N VAL F 499 -13.669 10.692 -30.382 1.00 1.00 N -ATOM 20113 CA VAL F 499 -12.235 10.662 -30.115 1.00 1.00 C -ATOM 20117 C VAL F 499 -11.455 9.746 -31.070 1.00 1.00 C -ATOM 20118 O VAL F 499 -10.286 10.011 -31.357 1.00 1.00 O -ATOM 20114 CB VAL F 499 -11.895 10.296 -28.643 1.00 1.00 C -ATOM 20115 CG1 VAL F 499 -11.279 8.912 -28.554 1.00 1.00 C -ATOM 20116 CG2 VAL F 499 -13.110 10.445 -27.746 1.00 1.00 C -ATOM 20119 N GLN F 500 -12.096 8.684 -31.557 1.00 1.00 N -ATOM 20120 CA GLN F 500 -11.445 7.765 -32.484 1.00 1.00 C -ATOM 20126 C GLN F 500 -11.068 8.553 -33.736 1.00 1.00 C -ATOM 20127 O GLN F 500 -9.929 8.529 -34.195 1.00 1.00 O -ATOM 20121 CB GLN F 500 -12.370 6.593 -32.862 1.00 1.00 C -ATOM 20122 CG GLN F 500 -12.613 5.565 -31.748 1.00 1.00 C -ATOM 20123 CD GLN F 500 -13.568 4.451 -32.171 1.00 1.00 C -ATOM 20125 NE2 GLN F 500 -13.007 3.316 -32.591 1.00 1.00 N -ATOM 20124 OE1 GLN F 500 -14.791 4.608 -32.122 1.00 1.00 O -ATOM 20128 N VAL F 501 -12.049 9.259 -34.274 1.00 1.00 N -ATOM 20129 CA VAL F 501 -11.843 10.035 -35.478 1.00 1.00 C -ATOM 20133 C VAL F 501 -10.814 11.156 -35.292 1.00 1.00 C -ATOM 20134 O VAL F 501 -9.974 11.354 -36.166 1.00 1.00 O -ATOM 20130 CB VAL F 501 -13.171 10.582 -36.021 1.00 1.00 C -ATOM 20131 CG1 VAL F 501 -12.951 11.337 -37.340 1.00 1.00 C -ATOM 20132 CG2 VAL F 501 -14.164 9.434 -36.194 1.00 1.00 C -ATOM 20135 N THR F 502 -10.846 11.862 -34.160 1.00 1.00 N -ATOM 20136 CA THR F 502 -9.907 12.969 -33.959 1.00 1.00 C -ATOM 20140 C THR F 502 -8.483 12.489 -33.689 1.00 1.00 C -ATOM 20141 O THR F 502 -7.521 13.155 -34.078 1.00 1.00 O -ATOM 20137 CB THR F 502 -10.358 14.021 -32.870 1.00 1.00 C -ATOM 20139 CG2 THR F 502 -11.851 14.173 -32.830 1.00 1.00 C -ATOM 20138 OG1 THR F 502 -9.888 13.641 -31.574 1.00 1.00 O -ATOM 20142 N ASN F 503 -8.346 11.341 -33.027 1.00 1.00 N -ATOM 20143 CA ASN F 503 -7.031 10.710 -32.859 1.00 1.00 C -ATOM 20148 C ASN F 503 -6.428 10.322 -34.201 1.00 1.00 C -ATOM 20149 O ASN F 503 -5.212 10.400 -34.414 1.00 1.00 O -ATOM 20144 CB ASN F 503 -7.133 9.458 -31.982 1.00 1.00 C -ATOM 20145 CG ASN F 503 -7.308 9.789 -30.508 1.00 1.00 C -ATOM 20147 ND2 ASN F 503 -7.019 11.027 -30.140 1.00 1.00 N -ATOM 20146 OD1 ASN F 503 -7.700 8.941 -29.716 1.00 1.00 O -ATOM 20150 N TYR F 504 -7.288 9.878 -35.103 1.00 1.00 N -ATOM 20151 CA TYR F 504 -6.863 9.550 -36.447 1.00 1.00 C -ATOM 20160 C TYR F 504 -6.451 10.822 -37.201 1.00 1.00 C -ATOM 20161 O TYR F 504 -5.359 10.901 -37.775 1.00 1.00 O -ATOM 20152 CB TYR F 504 -7.992 8.840 -37.186 1.00 1.00 C -ATOM 20153 CG TYR F 504 -7.650 8.552 -38.620 1.00 1.00 C -ATOM 20154 CD1 TYR F 504 -7.015 7.371 -38.975 1.00 1.00 C -ATOM 20159 CD2 TYR F 504 -7.938 9.473 -39.622 1.00 1.00 C -ATOM 20155 CE1 TYR F 504 -6.690 7.109 -40.287 1.00 1.00 C -ATOM 20158 CE2 TYR F 504 -7.610 9.216 -40.939 1.00 1.00 C -ATOM 20156 CZ TYR F 504 -6.982 8.035 -41.259 1.00 1.00 C -ATOM 20157 OH TYR F 504 -6.655 7.770 -42.561 1.00 1.00 O -ATOM 20162 N VAL F 505 -7.329 11.823 -37.186 1.00 1.00 N -ATOM 20163 CA VAL F 505 -7.081 13.057 -37.922 1.00 1.00 C -ATOM 20167 C VAL F 505 -5.787 13.733 -37.463 1.00 1.00 C -ATOM 20168 O VAL F 505 -5.062 14.298 -38.268 1.00 1.00 O -ATOM 20164 CB VAL F 505 -8.271 14.029 -37.806 1.00 1.00 C -ATOM 20165 CG1 VAL F 505 -7.912 15.399 -38.372 1.00 1.00 C -ATOM 20166 CG2 VAL F 505 -9.490 13.447 -38.503 1.00 1.00 C -ATOM 20169 N GLU F 506 -5.482 13.635 -36.173 1.00 1.00 N -ATOM 20170 CA GLU F 506 -4.222 14.148 -35.651 1.00 1.00 C -ATOM 20176 C GLU F 506 -3.007 13.496 -36.303 1.00 1.00 C -ATOM 20177 O GLU F 506 -2.033 14.165 -36.595 1.00 1.00 O -ATOM 20171 CB GLU F 506 -4.144 13.935 -34.145 1.00 1.00 C -ATOM 20172 CG GLU F 506 -5.096 14.787 -33.335 1.00 1.00 C -ATOM 20173 CD GLU F 506 -5.097 14.403 -31.868 1.00 1.00 C -ATOM 20174 OE1 GLU F 506 -4.252 13.569 -31.475 1.00 1.00 O -ATOM 20175 OE2 GLU F 506 -5.935 14.932 -31.108 1.00 1.00 O -ATOM 20178 N ASP F 507 -3.057 12.182 -36.497 1.00 1.00 N -ATOM 20179 CA ASP F 507 -1.932 11.471 -37.082 1.00 1.00 C -ATOM 20184 C ASP F 507 -1.841 11.810 -38.546 1.00 1.00 C -ATOM 20185 O ASP F 507 -0.763 11.816 -39.124 1.00 1.00 O -ATOM 20180 CB ASP F 507 -2.100 9.965 -36.910 1.00 1.00 C -ATOM 20181 CG ASP F 507 -1.768 9.517 -35.521 1.00 1.00 C -ATOM 20182 OD1 ASP F 507 -1.287 10.371 -34.748 1.00 1.00 O -ATOM 20183 OD2 ASP F 507 -1.981 8.327 -35.201 1.00 1.00 O -ATOM 20186 N ARG F 508 -2.998 12.088 -39.133 1.00 1.00 N -ATOM 20187 CA ARG F 508 -3.081 12.471 -40.530 1.00 1.00 C -ATOM 20195 C ARG F 508 -2.365 13.792 -40.792 1.00 1.00 C -ATOM 20196 O ARG F 508 -1.495 13.848 -41.658 1.00 1.00 O -ATOM 20188 CB ARG F 508 -4.542 12.548 -40.973 1.00 1.00 C -ATOM 20189 CG ARG F 508 -4.715 12.820 -42.447 1.00 1.00 C -ATOM 20190 CD ARG F 508 -6.174 12.784 -42.846 1.00 1.00 C -ATOM 20191 NE ARG F 508 -6.312 12.774 -44.291 1.00 1.00 N -ATOM 20192 CZ ARG F 508 -7.468 12.824 -44.940 1.00 1.00 C -ATOM 20193 NH1 ARG F 508 -8.603 12.902 -44.258 1.00 1.00 N -ATOM 20194 NH2 ARG F 508 -7.479 12.817 -46.277 1.00 1.00 N -ATOM 20197 N ILE F 509 -2.703 14.846 -40.044 1.00 1.00 N -ATOM 20198 CA ILE F 509 -2.075 16.146 -40.298 1.00 1.00 C -ATOM 20203 C ILE F 509 -0.593 16.165 -39.921 1.00 1.00 C -ATOM 20204 O ILE F 509 0.182 16.938 -40.480 1.00 1.00 O -ATOM 20199 CB ILE F 509 -2.812 17.371 -39.649 1.00 1.00 C -ATOM 20200 CG1 ILE F 509 -2.004 17.951 -38.480 1.00 1.00 C -ATOM 20202 CG2 ILE F 509 -4.274 17.053 -39.291 1.00 1.00 C -ATOM 20201 CD1 ILE F 509 -2.169 17.183 -37.174 1.00 1.00 C -ATOM 20205 N ILE F 510 -0.188 15.320 -38.978 1.00 1.00 N -ATOM 20206 CA ILE F 510 1.234 15.218 -38.670 1.00 1.00 C -ATOM 20211 C ILE F 510 1.946 14.596 -39.863 1.00 1.00 C -ATOM 20212 O ILE F 510 3.061 14.985 -40.213 1.00 1.00 O -ATOM 20207 CB ILE F 510 1.512 14.369 -37.434 1.00 1.00 C -ATOM 20208 CG1 ILE F 510 0.783 14.931 -36.218 1.00 1.00 C -ATOM 20210 CG2 ILE F 510 3.004 14.332 -37.156 1.00 1.00 C -ATOM 20209 CD1 ILE F 510 0.859 14.020 -35.005 1.00 1.00 C -ATOM 20213 N ALA F 511 1.285 13.638 -40.502 1.00 1.00 N -ATOM 20214 CA ALA F 511 1.838 13.017 -41.696 1.00 1.00 C -ATOM 20216 C ALA F 511 1.962 14.056 -42.806 1.00 1.00 C -ATOM 20217 O ALA F 511 2.952 14.088 -43.534 1.00 1.00 O -ATOM 20215 CB ALA F 511 0.968 11.867 -42.148 1.00 1.00 C -ATOM 20218 N LEU F 512 0.943 14.902 -42.921 1.00 1.00 N -ATOM 20219 CA LEU F 512 0.915 15.955 -43.925 1.00 1.00 C -ATOM 20224 C LEU F 512 2.010 16.984 -43.689 1.00 1.00 C -ATOM 20225 O LEU F 512 2.682 17.403 -44.625 1.00 1.00 O -ATOM 20220 CB LEU F 512 -0.450 16.638 -43.939 1.00 1.00 C -ATOM 20221 CG LEU F 512 -1.526 15.826 -44.657 1.00 1.00 C -ATOM 20222 CD1 LEU F 512 -2.880 16.460 -44.474 1.00 1.00 C -ATOM 20223 CD2 LEU F 512 -1.188 15.689 -46.135 1.00 1.00 C -ATOM 20226 N ARG F 513 2.187 17.374 -42.433 1.00 1.00 N -ATOM 20227 CA ARG F 513 3.225 18.324 -42.062 1.00 1.00 C -ATOM 20235 C ARG F 513 4.622 17.760 -42.305 1.00 1.00 C -ATOM 20236 O ARG F 513 5.565 18.502 -42.553 1.00 1.00 O -ATOM 20228 CB ARG F 513 3.076 18.721 -40.595 1.00 1.00 C -ATOM 20229 CG ARG F 513 1.906 19.653 -40.318 1.00 1.00 C -ATOM 20230 CD ARG F 513 1.695 19.806 -38.828 1.00 1.00 C -ATOM 20231 NE ARG F 513 0.563 20.668 -38.522 1.00 1.00 N -ATOM 20232 CZ ARG F 513 0.353 21.204 -37.328 1.00 1.00 C -ATOM 20233 NH1 ARG F 513 1.205 20.950 -36.345 1.00 1.00 N -ATOM 20234 NH2 ARG F 513 -0.693 21.998 -37.122 1.00 1.00 N -ATOM 20237 N ASN F 514 4.755 16.444 -42.228 1.00 1.00 N -ATOM 20238 CA ASN F 514 6.059 15.814 -42.391 1.00 1.00 C -ATOM 20243 C ASN F 514 6.437 15.599 -43.842 1.00 1.00 C -ATOM 20244 O ASN F 514 7.565 15.875 -44.238 1.00 1.00 O -ATOM 20239 CB ASN F 514 6.112 14.503 -41.622 1.00 1.00 C -ATOM 20240 CG ASN F 514 6.252 14.723 -40.145 1.00 1.00 C -ATOM 20242 ND2 ASN F 514 6.023 13.681 -39.360 1.00 1.00 N -ATOM 20241 OD1 ASN F 514 6.567 15.832 -39.708 1.00 1.00 O -ATOM 20245 N ASN F 515 5.488 15.121 -44.637 1.00 1.00 N -ATOM 20246 CA ASN F 515 5.729 14.913 -46.056 1.00 1.00 C -ATOM 20251 C ASN F 515 5.868 16.244 -46.794 1.00 1.00 C -ATOM 20252 O ASN F 515 6.000 16.282 -48.015 1.00 1.00 O -ATOM 20247 CB ASN F 515 4.615 14.063 -46.665 1.00 1.00 C -ATOM 20248 CG ASN F 515 4.479 12.712 -45.984 1.00 1.00 C -ATOM 20250 ND2 ASN F 515 3.374 12.025 -46.250 1.00 1.00 N -ATOM 20249 OD1 ASN F 515 5.358 12.292 -45.227 1.00 1.00 O -ATOM 20253 N THR F 516 5.826 17.327 -46.024 1.00 1.00 N -ATOM 20254 CA THR F 516 6.078 18.678 -46.507 1.00 1.00 C -ATOM 20258 C THR F 516 7.289 19.198 -45.731 1.00 1.00 C -ATOM 20259 O THR F 516 7.215 19.270 -44.504 1.00 1.00 O -ATOM 20255 CB THR F 516 4.866 19.595 -46.226 1.00 1.00 C -ATOM 20257 CG2 THR F 516 5.054 20.946 -46.873 1.00 1.00 C -ATOM 20256 OG1 THR F 516 3.672 18.997 -46.748 1.00 1.00 O -ATOM 20260 N ALA F 517 8.402 19.578 -46.372 1.00 1.00 N -ATOM 20261 CA ALA F 517 8.615 19.846 -47.806 1.00 1.00 C -ATOM 20262 C ALA F 517 8.794 21.353 -47.909 1.00 1.00 C -ATOM 20263 O ALA F 517 9.915 21.853 -47.997 1.00 1.00 O -ATOM 20264 CB ALA F 517 7.482 19.357 -48.703 1.00 1.00 C -ATOM 20265 N SER F 518 7.677 22.070 -47.883 1.00 1.00 N -ATOM 20266 CA SER F 518 7.686 23.495 -47.601 1.00 1.00 C -ATOM 20267 C SER F 518 7.508 23.614 -46.094 1.00 1.00 C -ATOM 20268 O SER F 518 6.803 22.813 -45.488 1.00 1.00 O -ATOM 20269 CB SER F 518 6.545 24.199 -48.331 1.00 1.00 C -ATOM 20270 OG SER F 518 5.297 23.939 -47.708 1.00 1.00 O -ATOM 20271 N LYS F 519 8.149 24.602 -45.483 1.00 1.00 N -ATOM 20272 CA LYS F 519 8.164 24.692 -44.022 1.00 1.00 C -ATOM 20273 C LYS F 519 6.838 25.137 -43.395 1.00 1.00 C -ATOM 20274 O LYS F 519 6.703 25.169 -42.171 1.00 1.00 O -ATOM 20275 CB LYS F 519 9.319 25.587 -43.566 1.00 1.00 C -ATOM 20276 CG LYS F 519 9.819 26.520 -44.653 1.00 1.00 C -ATOM 20277 CD LYS F 519 11.318 26.738 -44.533 1.00 1.00 C -ATOM 20278 CE LYS F 519 11.917 27.200 -45.855 1.00 1.00 C -ATOM 20279 NZ LYS F 519 13.405 27.175 -45.817 1.00 1.00 N -ATOM 20280 N HIS F 520 5.861 25.463 -44.232 1.00 1.00 N -ATOM 20281 CA HIS F 520 4.583 25.968 -43.744 1.00 1.00 C -ATOM 20282 C HIS F 520 3.440 25.008 -44.056 1.00 1.00 C -ATOM 20283 O HIS F 520 2.316 25.202 -43.594 1.00 1.00 O -ATOM 20284 CB HIS F 520 4.279 27.347 -44.344 1.00 1.00 C -ATOM 20285 CG HIS F 520 5.317 28.386 -44.046 1.00 1.00 C -ATOM 20287 CD2 HIS F 520 6.479 28.692 -44.671 1.00 1.00 C -ATOM 20286 ND1 HIS F 520 5.206 29.270 -42.992 1.00 1.00 N -ATOM 20288 CE1 HIS F 520 6.256 30.072 -42.979 1.00 1.00 C -ATOM 20289 NE2 HIS F 520 7.046 29.741 -43.985 1.00 1.00 N -ATOM 20290 N GLY F 521 3.730 23.973 -44.838 1.00 1.00 N -ATOM 20291 CA GLY F 521 2.722 22.995 -45.214 1.00 1.00 C -ATOM 20292 C GLY F 521 1.886 22.490 -44.046 1.00 1.00 C -ATOM 20293 O GLY F 521 2.428 22.024 -43.045 1.00 1.00 O -ATOM 20294 N PHE F 522 0.565 22.617 -44.185 1.00 1.00 N -ATOM 20295 CA PHE F 522 -0.419 22.091 -43.231 1.00 1.00 C -ATOM 20303 C PHE F 522 -0.072 22.386 -41.784 1.00 1.00 C -ATOM 20304 O PHE F 522 -0.425 21.650 -40.872 1.00 1.00 O -ATOM 20296 CB PHE F 522 -0.667 20.603 -43.487 1.00 1.00 C -ATOM 20297 CG PHE F 522 -1.139 20.326 -44.880 1.00 1.00 C -ATOM 20298 CD1 PHE F 522 -0.241 19.963 -45.871 1.00 1.00 C -ATOM 20302 CD2 PHE F 522 -2.472 20.494 -45.219 1.00 1.00 C -ATOM 20299 CE1 PHE F 522 -0.673 19.740 -47.165 1.00 1.00 C -ATOM 20301 CE2 PHE F 522 -2.911 20.272 -46.510 1.00 1.00 C -ATOM 20300 CZ PHE F 522 -2.012 19.893 -47.486 1.00 1.00 C -ATOM 20305 N GLN F 523 0.611 23.504 -41.597 1.00 1.00 N -ATOM 20306 CA GLN F 523 1.029 23.950 -40.291 1.00 1.00 C -ATOM 20312 C GLN F 523 -0.094 24.818 -39.735 1.00 1.00 C -ATOM 20313 O GLN F 523 -0.100 25.198 -38.560 1.00 1.00 O -ATOM 20307 CB GLN F 523 2.317 24.753 -40.449 1.00 1.00 C -ATOM 20308 CG GLN F 523 3.256 24.674 -39.277 1.00 1.00 C -ATOM 20309 CD GLN F 523 3.654 23.259 -38.926 1.00 1.00 C -ATOM 20311 NE2 GLN F 523 4.062 22.488 -39.924 1.00 1.00 N -ATOM 20310 OE1 GLN F 523 3.599 22.868 -37.765 1.00 1.00 O -ATOM 20314 N ASN F 524 -1.056 25.118 -40.599 1.00 1.00 N -ATOM 20315 CA ASN F 524 -2.159 26.005 -40.254 1.00 1.00 C -ATOM 20320 C ASN F 524 -3.477 25.255 -40.107 1.00 1.00 C -ATOM 20321 O ASN F 524 -4.550 25.850 -40.190 1.00 1.00 O -ATOM 20316 CB ASN F 524 -2.307 27.116 -41.305 1.00 1.00 C -ATOM 20317 CG ASN F 524 -2.777 26.591 -42.639 1.00 1.00 C -ATOM 20319 ND2 ASN F 524 -3.543 27.397 -43.359 1.00 1.00 N -ATOM 20318 OD1 ASN F 524 -2.458 25.463 -43.021 1.00 1.00 O -ATOM 20322 N ILE F 525 -3.401 23.947 -39.896 1.00 1.00 N -ATOM 20323 CA ILE F 525 -4.599 23.165 -39.623 1.00 1.00 C -ATOM 20328 C ILE F 525 -4.363 22.241 -38.452 1.00 1.00 C -ATOM 20329 O ILE F 525 -3.258 21.729 -38.265 1.00 1.00 O -ATOM 20324 CB ILE F 525 -5.044 22.308 -40.836 1.00 1.00 C -ATOM 20325 CG1 ILE F 525 -3.993 21.248 -41.178 1.00 1.00 C -ATOM 20327 CG2 ILE F 525 -5.321 23.171 -42.046 1.00 1.00 C -ATOM 20326 CD1 ILE F 525 -4.422 20.284 -42.304 1.00 1.00 C -ATOM 20330 N ASN F 526 -5.398 22.047 -37.645 1.00 1.00 N -ATOM 20331 CA ASN F 526 -5.387 20.991 -36.653 1.00 1.00 C -ATOM 20336 C ASN F 526 -6.814 20.665 -36.218 1.00 1.00 C -ATOM 20337 O ASN F 526 -7.772 21.315 -36.663 1.00 1.00 O -ATOM 20332 CB ASN F 526 -4.497 21.365 -35.466 1.00 1.00 C -ATOM 20333 CG ASN F 526 -3.780 20.161 -34.874 1.00 1.00 C -ATOM 20335 ND2 ASN F 526 -2.528 20.350 -34.496 1.00 1.00 N -ATOM 20334 OD1 ASN F 526 -4.347 19.081 -34.759 1.00 1.00 O -ATOM 20338 N VAL F 527 -6.950 19.659 -35.355 1.00 1.00 N -ATOM 20339 CA VAL F 527 -8.255 19.156 -34.950 1.00 1.00 C -ATOM 20343 C VAL F 527 -8.380 19.170 -33.442 1.00 1.00 C -ATOM 20344 O VAL F 527 -7.382 19.111 -32.727 1.00 1.00 O -ATOM 20340 CB VAL F 527 -8.506 17.707 -35.465 1.00 1.00 C -ATOM 20341 CG1 VAL F 527 -7.668 16.697 -34.681 1.00 1.00 C -ATOM 20342 CG2 VAL F 527 -9.987 17.357 -35.371 1.00 1.00 C -ATOM 20345 N LEU F 528 -9.613 19.243 -32.961 1.00 1.00 N -ATOM 20346 CA LEU F 528 -9.875 19.310 -31.532 1.00 1.00 C -ATOM 20351 C LEU F 528 -11.084 18.445 -31.191 1.00 1.00 C -ATOM 20352 O LEU F 528 -12.109 18.492 -31.868 1.00 1.00 O -ATOM 20347 CB LEU F 528 -10.112 20.765 -31.120 1.00 1.00 C -ATOM 20348 CG LEU F 528 -10.309 21.088 -29.641 1.00 1.00 C -ATOM 20349 CD1 LEU F 528 -9.128 20.586 -28.833 1.00 1.00 C -ATOM 20350 CD2 LEU F 528 -10.469 22.593 -29.464 1.00 1.00 C -ATOM 20353 N ARG F 529 -10.952 17.628 -30.159 1.00 1.00 N -ATOM 20354 CA ARG F 529 -12.057 16.795 -29.729 1.00 1.00 C -ATOM 20362 C ARG F 529 -13.003 17.665 -28.921 1.00 1.00 C -ATOM 20363 O ARG F 529 -12.649 18.141 -27.847 1.00 1.00 O -ATOM 20355 CB ARG F 529 -11.544 15.635 -28.882 1.00 1.00 C -ATOM 20356 CG ARG F 529 -12.626 14.913 -28.098 1.00 1.00 C -ATOM 20357 CD ARG F 529 -13.527 14.126 -29.028 1.00 1.00 C -ATOM 20358 NE ARG F 529 -14.512 13.330 -28.301 1.00 1.00 N -ATOM 20359 CZ ARG F 529 -15.070 13.692 -27.152 1.00 1.00 C -ATOM 20360 NH1 ARG F 529 -14.754 14.858 -26.601 1.00 1.00 N -ATOM 20361 NH2 ARG F 529 -15.954 12.889 -26.563 1.00 1.00 N -ATOM 20364 N GLY F 530 -14.195 17.901 -29.453 1.00 1.00 N -ATOM 20365 CA GLY F 530 -15.143 18.756 -28.777 1.00 1.00 C -ATOM 20366 C GLY F 530 -16.552 18.662 -29.318 1.00 1.00 C -ATOM 20367 O GLY F 530 -16.769 18.286 -30.473 1.00 1.00 O -ATOM 20368 N ASN F 531 -17.508 19.005 -28.458 1.00 1.00 N -ATOM 20369 CA ASN F 531 -18.919 19.057 -28.815 1.00 1.00 C -ATOM 20374 C ASN F 531 -19.284 20.507 -29.088 1.00 1.00 C -ATOM 20375 O ASN F 531 -19.356 21.326 -28.169 1.00 1.00 O -ATOM 20370 CB ASN F 531 -19.774 18.476 -27.682 1.00 1.00 C -ATOM 20371 CG ASN F 531 -21.258 18.389 -28.036 1.00 1.00 C -ATOM 20373 ND2 ASN F 531 -21.995 17.568 -27.291 1.00 1.00 N -ATOM 20372 OD1 ASN F 531 -21.734 19.049 -28.961 1.00 1.00 O -ATOM 20376 N ALA F 532 -19.495 20.831 -30.358 1.00 1.00 N -ATOM 20377 CA ALA F 532 -19.752 22.206 -30.753 1.00 1.00 C -ATOM 20379 C ALA F 532 -21.068 22.727 -30.168 1.00 1.00 C -ATOM 20380 O ALA F 532 -21.307 23.932 -30.124 1.00 1.00 O -ATOM 20378 CB ALA F 532 -19.756 22.329 -32.268 1.00 1.00 C -ATOM 20381 N MET F 533 -21.920 21.812 -29.725 1.00 1.00 N -ATOM 20382 CA MET F 533 -23.193 22.194 -29.137 1.00 1.00 C -ATOM 20387 C MET F 533 -23.050 22.529 -27.657 1.00 1.00 C -ATOM 20388 O MET F 533 -23.930 23.151 -27.069 1.00 1.00 O -ATOM 20383 CB MET F 533 -24.240 21.100 -29.368 1.00 1.00 C -ATOM 20384 CG MET F 533 -24.845 21.165 -30.771 1.00 1.00 C -ATOM 20385 SD MET F 533 -26.056 19.875 -31.068 1.00 1.00 S -ATOM 20386 CE MET F 533 -26.847 19.784 -29.458 1.00 1.00 C -ATOM 20389 N LYS F 534 -21.932 22.127 -27.063 1.00 1.00 N -ATOM 20390 CA LYS F 534 -21.654 22.468 -25.674 1.00 1.00 C -ATOM 20396 C LYS F 534 -21.151 23.900 -25.571 1.00 1.00 C -ATOM 20397 O LYS F 534 -20.017 24.142 -25.141 1.00 1.00 O -ATOM 20391 CB LYS F 534 -20.638 21.503 -25.062 1.00 1.00 C -ATOM 20392 CG LYS F 534 -21.241 20.209 -24.525 1.00 1.00 C -ATOM 20393 CD LYS F 534 -20.354 19.607 -23.442 1.00 1.00 C -ATOM 20394 CE LYS F 534 -20.951 18.326 -22.890 1.00 1.00 C -ATOM 20395 NZ LYS F 534 -20.203 17.838 -21.696 1.00 1.00 N -ATOM 20398 N PHE F 535 -22.004 24.835 -25.993 1.00 1.00 N -ATOM 20399 CA PHE F 535 -21.748 26.262 -25.864 1.00 1.00 C -ATOM 20407 C PHE F 535 -20.973 26.749 -27.109 1.00 1.00 C -ATOM 20408 O PHE F 535 -21.542 26.830 -28.215 1.00 1.00 O -ATOM 20400 CB PHE F 535 -21.037 26.545 -24.521 1.00 1.00 C -ATOM 20401 CG PHE F 535 -21.277 27.925 -23.964 1.00 1.00 C -ATOM 20402 CD1 PHE F 535 -22.510 28.540 -24.090 1.00 1.00 C -ATOM 20406 CD2 PHE F 535 -20.269 28.594 -23.283 1.00 1.00 C -ATOM 20403 CE1 PHE F 535 -22.715 29.802 -23.586 1.00 1.00 C -ATOM 20405 CE2 PHE F 535 -20.472 29.858 -22.780 1.00 1.00 C -ATOM 20404 CZ PHE F 535 -21.693 30.462 -22.931 1.00 1.00 C -ATOM 20409 N LEU F 536 -19.691 27.052 -26.923 1.00 1.00 N -ATOM 20410 CA LEU F 536 -18.752 27.519 -27.976 1.00 1.00 C -ATOM 20415 C LEU F 536 -17.943 28.756 -27.584 1.00 1.00 C -ATOM 20416 O LEU F 536 -16.764 28.845 -27.919 1.00 1.00 O -ATOM 20411 CB LEU F 536 -19.386 27.736 -29.348 1.00 1.00 C -ATOM 20412 CG LEU F 536 -19.202 26.612 -30.371 1.00 1.00 C -ATOM 20413 CD1 LEU F 536 -18.964 27.201 -31.750 1.00 1.00 C -ATOM 20414 CD2 LEU F 536 -18.047 25.699 -30.003 1.00 1.00 C -ATOM 20417 N PRO F 537 -18.575 29.717 -26.889 1.00 1.00 N -ATOM 20418 CA PRO F 537 -17.799 30.812 -26.299 1.00 1.00 C -ATOM 20419 C PRO F 537 -16.777 30.369 -25.254 1.00 1.00 C -ATOM 20420 O PRO F 537 -15.956 31.194 -24.861 1.00 1.00 O -ATOM 20421 CB PRO F 537 -18.872 31.697 -25.665 1.00 1.00 C -ATOM 20422 CG PRO F 537 -20.073 31.477 -26.511 1.00 1.00 C -ATOM 20423 CD PRO F 537 -20.021 29.996 -26.853 1.00 1.00 C -ATOM 20424 N ASN F 538 -16.816 29.114 -24.807 1.00 1.00 N -ATOM 20425 CA ASN F 538 -15.719 28.571 -24.007 1.00 1.00 C -ATOM 20430 C ASN F 538 -14.467 28.440 -24.864 1.00 1.00 C -ATOM 20431 O ASN F 538 -13.345 28.503 -24.363 1.00 1.00 O -ATOM 20426 CB ASN F 538 -16.065 27.192 -23.435 1.00 1.00 C -ATOM 20427 CG ASN F 538 -16.961 27.263 -22.215 1.00 1.00 C -ATOM 20429 ND2 ASN F 538 -16.599 28.113 -21.257 1.00 1.00 N -ATOM 20428 OD1 ASN F 538 -17.966 26.553 -22.133 1.00 1.00 O -ATOM 20432 N PHE F 539 -14.668 28.248 -26.164 1.00 1.00 N -ATOM 20433 CA PHE F 539 -13.568 28.005 -27.089 1.00 1.00 C -ATOM 20441 C PHE F 539 -13.008 29.275 -27.720 1.00 1.00 C -ATOM 20442 O PHE F 539 -11.792 29.474 -27.740 1.00 1.00 O -ATOM 20434 CB PHE F 539 -13.989 27.019 -28.183 1.00 1.00 C -ATOM 20435 CG PHE F 539 -14.135 25.601 -27.697 1.00 1.00 C -ATOM 20436 CD1 PHE F 539 -13.040 24.756 -27.649 1.00 1.00 C -ATOM 20440 CD2 PHE F 539 -15.368 25.117 -27.283 1.00 1.00 C -ATOM 20437 CE1 PHE F 539 -13.167 23.461 -27.202 1.00 1.00 C -ATOM 20439 CE2 PHE F 539 -15.504 23.816 -26.837 1.00 1.00 C -ATOM 20438 CZ PHE F 539 -14.401 22.987 -26.795 1.00 1.00 C -ATOM 20443 N PHE F 540 -13.889 30.132 -28.229 1.00 1.00 N -ATOM 20444 CA PHE F 540 -13.453 31.302 -28.994 1.00 1.00 C -ATOM 20452 C PHE F 540 -13.907 32.640 -28.405 1.00 1.00 C -ATOM 20453 O PHE F 540 -15.009 32.771 -27.864 1.00 1.00 O -ATOM 20445 CB PHE F 540 -13.915 31.208 -30.456 1.00 1.00 C -ATOM 20446 CG PHE F 540 -13.635 29.868 -31.111 1.00 1.00 C -ATOM 20447 CD1 PHE F 540 -14.677 29.012 -31.448 1.00 1.00 C -ATOM 20451 CD2 PHE F 540 -12.336 29.473 -31.394 1.00 1.00 C -ATOM 20448 CE1 PHE F 540 -14.426 27.785 -32.045 1.00 1.00 C -ATOM 20450 CE2 PHE F 540 -12.085 28.256 -31.996 1.00 1.00 C -ATOM 20449 CZ PHE F 540 -13.129 27.410 -32.321 1.00 1.00 C -ATOM 20454 N GLU F 541 -13.054 33.647 -28.545 1.00 1.00 N -ATOM 20455 CA GLU F 541 -13.425 35.008 -28.187 1.00 1.00 C -ATOM 20461 C GLU F 541 -14.579 35.517 -29.053 1.00 1.00 C -ATOM 20462 O GLU F 541 -14.887 34.947 -30.097 1.00 1.00 O -ATOM 20456 CB GLU F 541 -12.218 35.927 -28.340 1.00 1.00 C -ATOM 20457 CG GLU F 541 -11.066 35.591 -27.411 1.00 1.00 C -ATOM 20458 CD GLU F 541 -9.847 36.446 -27.679 1.00 1.00 C -ATOM 20459 OE1 GLU F 541 -9.820 37.118 -28.731 1.00 1.00 O -ATOM 20460 OE2 GLU F 541 -8.917 36.441 -26.845 1.00 1.00 O -ATOM 20463 N LYS F 542 -15.216 36.592 -28.602 1.00 1.00 N -ATOM 20464 CA LYS F 542 -16.259 37.251 -29.374 1.00 1.00 C -ATOM 20470 C LYS F 542 -15.707 37.719 -30.730 1.00 1.00 C -ATOM 20471 O LYS F 542 -14.657 38.349 -30.790 1.00 1.00 O -ATOM 20465 CB LYS F 542 -16.814 38.449 -28.592 1.00 1.00 C -ATOM 20466 CG LYS F 542 -18.072 39.032 -29.202 1.00 1.00 C -ATOM 20467 CD LYS F 542 -18.459 40.359 -28.577 1.00 1.00 C -ATOM 20468 CE LYS F 542 -19.628 40.970 -29.342 1.00 1.00 C -ATOM 20469 NZ LYS F 542 -20.098 42.265 -28.775 1.00 1.00 N -ATOM 20472 N GLY F 543 -16.412 37.406 -31.812 1.00 1.00 N -ATOM 20473 CA GLY F 543 -16.004 37.851 -33.133 1.00 1.00 C -ATOM 20474 C GLY F 543 -14.689 37.273 -33.640 1.00 1.00 C -ATOM 20475 O GLY F 543 -14.123 37.770 -34.604 1.00 1.00 O -ATOM 20476 N GLN F 544 -14.206 36.211 -33.013 1.00 1.00 N -ATOM 20477 CA GLN F 544 -12.915 35.653 -33.391 1.00 1.00 C -ATOM 20483 C GLN F 544 -12.915 35.057 -34.810 1.00 1.00 C -ATOM 20484 O GLN F 544 -11.954 35.220 -35.563 1.00 1.00 O -ATOM 20478 CB GLN F 544 -12.460 34.608 -32.363 1.00 1.00 C -ATOM 20479 CG GLN F 544 -11.037 34.137 -32.569 1.00 1.00 C -ATOM 20480 CD GLN F 544 -10.609 33.057 -31.593 1.00 1.00 C -ATOM 20482 NE2 GLN F 544 -9.959 32.026 -32.108 1.00 1.00 N -ATOM 20481 OE1 GLN F 544 -10.842 33.156 -30.391 1.00 1.00 O -ATOM 20485 N LEU F 545 -14.008 34.390 -35.166 1.00 1.00 N -ATOM 20486 CA LEU F 545 -14.091 33.636 -36.412 1.00 1.00 C -ATOM 20491 C LEU F 545 -14.620 34.427 -37.610 1.00 1.00 C -ATOM 20492 O LEU F 545 -15.517 35.264 -37.478 1.00 1.00 O -ATOM 20487 CB LEU F 545 -14.964 32.400 -36.195 1.00 1.00 C -ATOM 20488 CG LEU F 545 -14.442 31.409 -35.154 1.00 1.00 C -ATOM 20489 CD1 LEU F 545 -15.519 30.390 -34.786 1.00 1.00 C -ATOM 20490 CD2 LEU F 545 -13.172 30.734 -35.686 1.00 1.00 C -ATOM 20493 N SER F 546 -14.068 34.143 -38.783 1.00 1.00 N -ATOM 20494 CA SER F 546 -14.573 34.719 -40.024 1.00 1.00 C -ATOM 20497 C SER F 546 -15.428 33.694 -40.777 1.00 1.00 C -ATOM 20498 O SER F 546 -16.271 34.063 -41.584 1.00 1.00 O -ATOM 20495 CB SER F 546 -13.416 35.207 -40.906 1.00 1.00 C -ATOM 20496 OG SER F 546 -12.604 34.121 -41.298 1.00 1.00 O -ATOM 20499 N LYS F 547 -15.214 32.407 -40.497 1.00 1.00 N -ATOM 20500 CA LYS F 547 -15.958 31.348 -41.178 1.00 1.00 C -ATOM 20506 C LYS F 547 -16.324 30.195 -40.245 1.00 1.00 C -ATOM 20507 O LYS F 547 -15.537 29.799 -39.387 1.00 1.00 O -ATOM 20501 CB LYS F 547 -15.155 30.775 -42.354 1.00 1.00 C -ATOM 20502 CG LYS F 547 -14.623 31.787 -43.368 1.00 1.00 C -ATOM 20503 CD LYS F 547 -13.883 31.054 -44.497 1.00 1.00 C -ATOM 20504 CE LYS F 547 -12.993 31.984 -45.306 1.00 1.00 C -ATOM 20505 NZ LYS F 547 -13.795 32.732 -46.308 1.00 1.00 N -ATOM 20508 N MET F 548 -17.515 29.645 -40.438 1.00 1.00 N -ATOM 20509 CA MET F 548 -17.913 28.424 -39.752 1.00 1.00 C -ATOM 20514 C MET F 548 -18.515 27.483 -40.774 1.00 1.00 C -ATOM 20515 O MET F 548 -19.447 27.856 -41.486 1.00 1.00 O -ATOM 20510 CB MET F 548 -18.927 28.716 -38.638 1.00 1.00 C -ATOM 20511 CG MET F 548 -18.337 29.440 -37.445 1.00 1.00 C -ATOM 20512 SD MET F 548 -19.549 29.936 -36.200 1.00 1.00 S -ATOM 20513 CE MET F 548 -19.828 28.402 -35.323 1.00 1.00 C -ATOM 20516 N PHE F 549 -17.965 26.272 -40.854 1.00 1.00 N -ATOM 20517 CA PHE F 549 -18.434 25.263 -41.802 1.00 1.00 C -ATOM 20525 C PHE F 549 -19.191 24.118 -41.121 1.00 1.00 C -ATOM 20526 O PHE F 549 -18.746 23.576 -40.120 1.00 1.00 O -ATOM 20518 CB PHE F 549 -17.261 24.672 -42.606 1.00 1.00 C -ATOM 20519 CG PHE F 549 -16.612 25.641 -43.557 1.00 1.00 C -ATOM 20520 CD1 PHE F 549 -15.644 26.532 -43.110 1.00 1.00 C -ATOM 20524 CD2 PHE F 549 -16.952 25.645 -44.908 1.00 1.00 C -ATOM 20521 CE1 PHE F 549 -15.042 27.422 -43.983 1.00 1.00 C -ATOM 20523 CE2 PHE F 549 -16.352 26.530 -45.792 1.00 1.00 C -ATOM 20522 CZ PHE F 549 -15.390 27.414 -45.334 1.00 1.00 C -ATOM 20527 N PHE F 550 -20.335 23.765 -41.690 1.00 1.00 N -ATOM 20528 CA PHE F 550 -21.109 22.625 -41.250 1.00 1.00 C -ATOM 20536 C PHE F 550 -21.318 21.765 -42.482 1.00 1.00 C -ATOM 20537 O PHE F 550 -22.336 21.876 -43.166 1.00 1.00 O -ATOM 20529 CB PHE F 550 -22.465 23.058 -40.682 1.00 1.00 C -ATOM 20530 CG PHE F 550 -22.365 23.943 -39.466 1.00 1.00 C -ATOM 20531 CD1 PHE F 550 -22.196 25.317 -39.602 1.00 1.00 C -ATOM 20535 CD2 PHE F 550 -22.448 23.404 -38.187 1.00 1.00 C -ATOM 20532 CE1 PHE F 550 -22.102 26.129 -38.485 1.00 1.00 C -ATOM 20534 CE2 PHE F 550 -22.359 24.219 -37.066 1.00 1.00 C -ATOM 20533 CZ PHE F 550 -22.193 25.582 -37.215 1.00 1.00 C -ATOM 20538 N CYS F 551 -20.341 20.919 -42.775 1.00 1.00 N -ATOM 20539 CA CYS F 551 -20.382 20.113 -43.989 1.00 1.00 C -ATOM 20542 C CYS F 551 -20.950 18.730 -43.716 1.00 1.00 C -ATOM 20543 O CYS F 551 -20.305 17.909 -43.064 1.00 1.00 O -ATOM 20540 CB CYS F 551 -18.984 19.975 -44.581 1.00 1.00 C -ATOM 20541 SG CYS F 551 -18.174 21.526 -44.923 1.00 1.00 S -ATOM 20544 N PHE F 552 -22.150 18.480 -44.232 1.00 1.00 N -ATOM 20545 CA PHE F 552 -22.835 17.202 -44.060 1.00 1.00 C -ATOM 20553 C PHE F 552 -22.966 16.823 -42.593 1.00 1.00 C -ATOM 20554 O PHE F 552 -22.416 15.820 -42.164 1.00 1.00 O -ATOM 20546 CB PHE F 552 -22.115 16.097 -44.844 1.00 1.00 C -ATOM 20547 CG PHE F 552 -22.004 16.389 -46.311 1.00 1.00 C -ATOM 20548 CD1 PHE F 552 -20.857 16.973 -46.829 1.00 1.00 C -ATOM 20552 CD2 PHE F 552 -23.059 16.120 -47.164 1.00 1.00 C -ATOM 20549 CE1 PHE F 552 -20.756 17.266 -48.182 1.00 1.00 C -ATOM 20551 CE2 PHE F 552 -22.972 16.414 -48.509 1.00 1.00 C -ATOM 20550 CZ PHE F 552 -21.816 16.991 -49.022 1.00 1.00 C -ATOM 20555 N PRO F 553 -23.692 17.641 -41.815 1.00 1.00 N -ATOM 20556 CA PRO F 553 -23.958 17.336 -40.404 1.00 1.00 C -ATOM 20560 C PRO F 553 -24.911 16.159 -40.297 1.00 1.00 C -ATOM 20561 O PRO F 553 -25.721 15.951 -41.199 1.00 1.00 O -ATOM 20557 CB PRO F 553 -24.664 18.606 -39.913 1.00 1.00 C -ATOM 20558 CG PRO F 553 -25.299 19.154 -41.146 1.00 1.00 C -ATOM 20559 CD PRO F 553 -24.253 18.946 -42.193 1.00 1.00 C -ATOM 20562 N ASP F 554 -24.829 15.401 -39.211 1.00 1.00 N -ATOM 20563 CA ASP F 554 -25.739 14.277 -39.029 1.00 1.00 C -ATOM 20568 C ASP F 554 -27.176 14.718 -38.768 1.00 1.00 C -ATOM 20569 O ASP F 554 -27.443 15.471 -37.840 1.00 1.00 O -ATOM 20564 CB ASP F 554 -25.248 13.331 -37.935 1.00 1.00 C -ATOM 20565 CG ASP F 554 -24.956 11.939 -38.467 1.00 1.00 C -ATOM 20566 OD1 ASP F 554 -25.925 11.190 -38.731 1.00 1.00 O -ATOM 20567 OD2 ASP F 554 -23.762 11.593 -38.620 1.00 1.00 O -ATOM 20570 N PRO F 555 -28.107 14.229 -39.597 1.00 1.00 N -ATOM 20571 CA PRO F 555 -29.524 14.593 -39.542 1.00 1.00 C -ATOM 20572 C PRO F 555 -30.268 13.817 -38.463 1.00 1.00 C -ATOM 20573 O PRO F 555 -30.905 12.824 -38.790 1.00 1.00 O -ATOM 20574 CB PRO F 555 -30.054 14.154 -40.918 1.00 1.00 C -ATOM 20575 CG PRO F 555 -28.854 13.594 -41.678 1.00 1.00 C -ATOM 20576 CD PRO F 555 -27.838 13.242 -40.655 1.00 1.00 C -ATOM 20577 N HIS F9000X -29.714 17.127 -28.941 1.00 1.00 N -ATOM 20578 CA HIS F9000X -30.475 16.479 -27.868 1.00 1.00 C -ATOM 20579 C HIS F9000X -29.722 16.384 -26.547 1.00 1.00 C -ATOM 20580 O HIS F9000X -29.927 17.194 -25.645 1.00 1.00 O -ATOM 20581 CB HIS F9000X -30.913 15.069 -28.280 1.00 1.00 C -ATOM 20582 CG HIS F9000X -32.239 15.022 -28.975 1.00 1.00 C -ATOM 20584 CD2 HIS F9000X -32.740 14.146 -29.878 1.00 1.00 C -ATOM 20583 ND1 HIS F9000X -33.236 15.941 -28.737 1.00 1.00 N -ATOM 20585 CE1 HIS F9000X -34.292 15.645 -29.478 1.00 1.00 C -ATOM 20586 NE2 HIS F9000X -34.016 14.561 -30.179 1.00 1.00 N -ATOM 20587 N LYS F9001X -28.855 15.380 -26.454 1.00 1.00 N -ATOM 20588 CA LYS F9001X -28.256 14.960 -25.189 1.00 1.00 C -ATOM 20589 C LYS F9001X -27.792 16.110 -24.295 1.00 1.00 C -ATOM 20590 O LYS F9001X -28.459 16.438 -23.312 1.00 1.00 O -ATOM 20591 CB LYS F9001X -27.099 13.996 -25.441 1.00 1.00 C -ATOM 20592 CG LYS F9001X -26.773 13.104 -24.256 1.00 1.00 C -ATOM 20593 CD LYS F9001X -25.650 12.146 -24.607 1.00 1.00 C -ATOM 20594 CE LYS F9001X -25.355 11.196 -23.468 1.00 1.00 C -ATOM 20595 NZ LYS F9001X -24.051 10.518 -23.671 1.00 1.00 N -ATOM 20596 N ALA F9002X -26.649 16.708 -24.632 1.00 1.00 N -ATOM 20597 CA ALA F9002X -26.063 17.765 -23.811 1.00 1.00 C -ATOM 20598 C ALA F9002X -27.027 18.940 -23.682 1.00 1.00 C -ATOM 20599 O ALA F9002X -27.163 19.536 -22.608 1.00 1.00 O -ATOM 20600 CB ALA F9002X -24.730 18.218 -24.391 1.00 1.00 C -ATOM 20601 N ARG F 565 -27.682 19.286 -24.784 1.00 1.00 N -ATOM 20602 CA ARG F 565 -28.842 20.167 -24.712 1.00 1.00 C -ATOM 20603 C ARG F 565 -29.610 20.289 -26.006 1.00 1.00 C -ATOM 20604 O ARG F 565 -29.180 19.816 -27.056 1.00 1.00 O -ATOM 20605 CB ARG F 565 -28.541 21.552 -24.097 1.00 1.00 C -ATOM 20606 CG ARG F 565 -27.636 22.537 -24.869 1.00 1.00 C -ATOM 20607 CD ARG F 565 -27.612 22.432 -26.410 1.00 1.00 C -ATOM 20608 NE ARG F 565 -26.926 23.567 -27.031 1.00 1.00 N -ATOM 20609 CZ ARG F 565 -26.335 24.551 -26.357 1.00 1.00 C -ATOM 20610 NH1 ARG F 565 -26.305 24.521 -25.034 1.00 1.00 N -ATOM 20611 NH2 ARG F 565 -25.743 25.552 -26.993 1.00 1.00 N -ATOM 20612 N ILE F 566 -30.756 20.942 -25.903 1.00 1.00 N -ATOM 20613 CA ILE F 566 -31.674 21.041 -27.010 1.00 1.00 C -ATOM 20614 C ILE F 566 -31.217 22.102 -27.987 1.00 1.00 C -ATOM 20615 O ILE F 566 -30.714 23.156 -27.599 1.00 1.00 O -ATOM 20616 CB ILE F 566 -33.095 21.339 -26.515 1.00 1.00 C -ATOM 20617 CG1 ILE F 566 -33.339 20.583 -25.211 1.00 1.00 C -ATOM 20618 CG2 ILE F 566 -34.121 20.951 -27.567 1.00 1.00 C -ATOM 20619 CD1 ILE F 566 -34.578 19.728 -25.233 1.00 1.00 C -ATOM 20620 N ILE F 567 -31.384 21.803 -29.265 1.00 1.00 N -ATOM 20621 CA ILE F 567 -31.024 22.735 -30.314 1.00 1.00 C -ATOM 20622 C ILE F 567 -32.080 23.831 -30.406 1.00 1.00 C -ATOM 20623 O ILE F 567 -33.278 23.545 -30.493 1.00 1.00 O -ATOM 20624 CB ILE F 567 -30.867 22.010 -31.648 1.00 1.00 C -ATOM 20625 CG1 ILE F 567 -29.837 20.881 -31.492 1.00 1.00 C -ATOM 20626 CG2 ILE F 567 -30.492 22.998 -32.737 1.00 1.00 C -ATOM 20627 CD1 ILE F 567 -29.604 20.073 -32.746 1.00 1.00 C -ATOM 20628 N THR F 568 -31.623 25.080 -30.368 1.00 1.00 N -ATOM 20629 CA THR F 568 -32.503 26.241 -30.317 1.00 1.00 C -ATOM 20630 C THR F 568 -31.800 27.454 -30.929 1.00 1.00 C -ATOM 20631 O THR F 568 -30.613 27.401 -31.245 1.00 1.00 O -ATOM 20632 CB THR F 568 -32.901 26.565 -28.849 1.00 1.00 C -ATOM 20634 CG2 THR F 568 -33.858 27.743 -28.786 1.00 1.00 C -ATOM 20633 OG1 THR F 568 -33.540 25.424 -28.254 1.00 1.00 O -ATOM 20635 N ASN F 569 -32.540 28.543 -31.096 1.00 1.00 N -ATOM 20636 CA ASN F 569 -31.961 29.803 -31.520 1.00 1.00 C -ATOM 20637 C ASN F 569 -30.764 30.165 -30.657 1.00 1.00 C -ATOM 20638 O ASN F 569 -29.829 30.822 -31.125 1.00 1.00 O -ATOM 20639 CB ASN F 569 -33.007 30.919 -31.448 1.00 1.00 C -ATOM 20640 CG ASN F 569 -34.152 30.706 -32.423 1.00 1.00 C -ATOM 20642 ND2 ASN F 569 -35.378 30.825 -31.926 1.00 1.00 N -ATOM 20641 OD1 ASN F 569 -33.937 30.442 -33.611 1.00 1.00 O -ATOM 20643 N THR F 570 -30.805 29.735 -29.396 1.00 1.00 N -ATOM 20644 CA THR F 570 -29.730 30.003 -28.447 1.00 1.00 C -ATOM 20648 C THR F 570 -28.402 29.459 -28.954 1.00 1.00 C -ATOM 20649 O THR F 570 -27.362 30.102 -28.802 1.00 1.00 O -ATOM 20645 CB THR F 570 -30.038 29.401 -27.056 1.00 1.00 C -ATOM 20647 CG2 THR F 570 -28.964 29.783 -26.050 1.00 1.00 C -ATOM 20646 OG1 THR F 570 -31.302 29.888 -26.595 1.00 1.00 O -ATOM 20650 N LEU F 571 -28.440 28.274 -29.559 1.00 1.00 N -ATOM 20651 CA LEU F 571 -27.232 27.680 -30.116 1.00 1.00 C -ATOM 20656 C LEU F 571 -26.711 28.591 -31.221 1.00 1.00 C -ATOM 20657 O LEU F 571 -25.512 28.837 -31.313 1.00 1.00 O -ATOM 20652 CB LEU F 571 -27.518 26.301 -30.697 1.00 1.00 C -ATOM 20653 CG LEU F 571 -26.389 25.261 -30.783 1.00 1.00 C -ATOM 20654 CD1 LEU F 571 -26.494 24.499 -32.104 1.00 1.00 C -ATOM 20655 CD2 LEU F 571 -24.995 25.828 -30.615 1.00 1.00 C -ATOM 20658 N LEU F 572 -27.624 29.079 -32.058 1.00 1.00 N -ATOM 20659 CA LEU F 572 -27.256 29.954 -33.164 1.00 1.00 C -ATOM 20664 C LEU F 572 -26.719 31.275 -32.653 1.00 1.00 C -ATOM 20665 O LEU F 572 -25.861 31.882 -33.288 1.00 1.00 O -ATOM 20660 CB LEU F 572 -28.439 30.196 -34.102 1.00 1.00 C -ATOM 20661 CG LEU F 572 -28.774 29.022 -35.027 1.00 1.00 C -ATOM 20662 CD1 LEU F 572 -29.975 29.330 -35.916 1.00 1.00 C -ATOM 20663 CD2 LEU F 572 -27.563 28.658 -35.871 1.00 1.00 C -ATOM 20666 N SER F 573 -27.230 31.715 -31.506 1.00 1.00 N -ATOM 20667 CA SER F 573 -26.736 32.912 -30.846 1.00 1.00 C -ATOM 20670 C SER F 573 -25.325 32.689 -30.340 1.00 1.00 C -ATOM 20671 O SER F 573 -24.525 33.612 -30.297 1.00 1.00 O -ATOM 20668 CB SER F 573 -27.639 33.302 -29.671 1.00 1.00 C -ATOM 20669 OG SER F 573 -28.785 33.993 -30.113 1.00 1.00 O -ATOM 20672 N GLU F 574 -25.022 31.469 -29.923 1.00 1.00 N -ATOM 20673 CA GLU F 574 -23.662 31.155 -29.506 1.00 1.00 C -ATOM 20679 C GLU F 574 -22.723 31.169 -30.712 1.00 1.00 C -ATOM 20680 O GLU F 574 -21.586 31.624 -30.609 1.00 1.00 O -ATOM 20674 CB GLU F 574 -23.615 29.817 -28.766 1.00 1.00 C -ATOM 20675 CG GLU F 574 -24.355 29.860 -27.418 1.00 1.00 C -ATOM 20676 CD GLU F 574 -24.754 28.485 -26.918 1.00 1.00 C -ATOM 20677 OE1 GLU F 574 -24.154 27.487 -27.378 1.00 1.00 O -ATOM 20678 OE2 GLU F 574 -25.670 28.404 -26.071 1.00 1.00 O -ATOM 20681 N TYR F 575 -23.209 30.677 -31.849 1.00 1.00 N -ATOM 20682 CA TYR F 575 -22.437 30.746 -33.085 1.00 1.00 C -ATOM 20691 C TYR F 575 -22.215 32.206 -33.485 1.00 1.00 C -ATOM 20692 O TYR F 575 -21.108 32.589 -33.838 1.00 1.00 O -ATOM 20683 CB TYR F 575 -23.140 30.000 -34.221 1.00 1.00 C -ATOM 20684 CG TYR F 575 -23.253 28.506 -34.013 1.00 1.00 C -ATOM 20685 CD1 TYR F 575 -24.228 27.766 -34.667 1.00 1.00 C -ATOM 20690 CD2 TYR F 575 -22.381 27.839 -33.165 1.00 1.00 C -ATOM 20686 CE1 TYR F 575 -24.317 26.394 -34.493 1.00 1.00 C -ATOM 20689 CE2 TYR F 575 -22.465 26.476 -32.978 1.00 1.00 C -ATOM 20687 CZ TYR F 575 -23.435 25.760 -33.637 1.00 1.00 C -ATOM 20688 OH TYR F 575 -23.519 24.403 -33.436 1.00 1.00 O -ATOM 20693 N ALA F 576 -23.270 33.015 -33.404 1.00 1.00 N -ATOM 20694 CA ALA F 576 -23.181 34.420 -33.786 1.00 1.00 C -ATOM 20696 C ALA F 576 -22.183 35.145 -32.905 1.00 1.00 C -ATOM 20697 O ALA F 576 -21.475 36.040 -33.365 1.00 1.00 O -ATOM 20695 CB ALA F 576 -24.543 35.093 -33.700 1.00 1.00 C -ATOM 20698 N TYR F 577 -22.125 34.749 -31.636 1.00 1.00 N -ATOM 20699 CA TYR F 577 -21.225 35.393 -30.683 1.00 1.00 C -ATOM 20708 C TYR F 577 -19.759 35.208 -31.050 1.00 1.00 C -ATOM 20709 O TYR F 577 -18.972 36.143 -30.934 1.00 1.00 O -ATOM 20700 CB TYR F 577 -21.458 34.866 -29.270 1.00 1.00 C -ATOM 20701 CG TYR F 577 -20.650 35.573 -28.209 1.00 1.00 C -ATOM 20702 CD1 TYR F 577 -21.086 36.780 -27.682 1.00 1.00 C -ATOM 20707 CD2 TYR F 577 -19.469 35.033 -27.719 1.00 1.00 C -ATOM 20703 CE1 TYR F 577 -20.377 37.431 -26.698 1.00 1.00 C -ATOM 20706 CE2 TYR F 577 -18.745 35.683 -26.731 1.00 1.00 C -ATOM 20704 CZ TYR F 577 -19.210 36.888 -26.225 1.00 1.00 C -ATOM 20705 OH TYR F 577 -18.522 37.566 -25.243 1.00 1.00 O -ATOM 20710 N VAL F 578 -19.390 33.998 -31.472 1.00 1.00 N -ATOM 20711 CA VAL F 578 -17.994 33.726 -31.811 1.00 1.00 C -ATOM 20715 C VAL F 578 -17.659 34.138 -33.247 1.00 1.00 C -ATOM 20716 O VAL F 578 -16.497 34.135 -33.644 1.00 1.00 O -ATOM 20712 CB VAL F 578 -17.595 32.244 -31.558 1.00 1.00 C -ATOM 20713 CG1 VAL F 578 -17.810 31.879 -30.083 1.00 1.00 C -ATOM 20714 CG2 VAL F 578 -18.367 31.301 -32.475 1.00 1.00 C -ATOM 20717 N LEU F 579 -18.681 34.513 -34.008 1.00 1.00 N -ATOM 20718 CA LEU F 579 -18.536 34.845 -35.423 1.00 1.00 C -ATOM 20723 C LEU F 579 -18.496 36.367 -35.635 1.00 1.00 C -ATOM 20724 O LEU F 579 -19.396 37.082 -35.201 1.00 1.00 O -ATOM 20719 CB LEU F 579 -19.718 34.265 -36.198 1.00 1.00 C -ATOM 20720 CG LEU F 579 -19.512 33.454 -37.473 1.00 1.00 C -ATOM 20721 CD1 LEU F 579 -20.782 33.497 -38.313 1.00 1.00 C -ATOM 20722 CD2 LEU F 579 -18.300 33.911 -38.286 1.00 1.00 C -ATOM 20725 N LYS F 580 -17.454 36.855 -36.302 1.00 1.00 N -ATOM 20726 CA LYS F 580 -17.346 38.276 -36.611 1.00 1.00 C -ATOM 20732 C LYS F 580 -18.566 38.764 -37.381 1.00 1.00 C -ATOM 20733 O LYS F 580 -19.183 38.003 -38.135 1.00 1.00 O -ATOM 20727 CB LYS F 580 -16.079 38.565 -37.419 1.00 1.00 C -ATOM 20728 CG LYS F 580 -16.099 38.016 -38.843 1.00 1.00 C -ATOM 20729 CD LYS F 580 -14.767 38.264 -39.514 1.00 1.00 C -ATOM 20730 CE LYS F 580 -14.633 39.741 -39.911 1.00 1.00 C -ATOM 20731 NZ LYS F 580 -13.228 40.189 -39.809 1.00 1.00 N -ATOM 20734 N GLU F 581 -18.927 40.022 -37.160 1.00 1.00 N -ATOM 20735 CA GLU F 581 -19.879 40.709 -38.028 1.00 1.00 C -ATOM 20741 C GLU F 581 -19.310 40.725 -39.446 1.00 1.00 C -ATOM 20742 O GLU F 581 -18.174 41.139 -39.664 1.00 1.00 O -ATOM 20736 CB GLU F 581 -20.147 42.132 -37.518 1.00 1.00 C -ATOM 20737 CG GLU F 581 -20.519 42.176 -36.036 1.00 1.00 C -ATOM 20738 CD GLU F 581 -20.972 43.548 -35.566 1.00 1.00 C -ATOM 20739 OE1 GLU F 581 -20.404 44.556 -36.019 1.00 1.00 O -ATOM 20740 OE2 GLU F 581 -21.895 43.622 -34.729 1.00 1.00 O -ATOM 20743 N GLY F 582 -20.093 40.246 -40.401 1.00 1.00 N -ATOM 20744 CA GLY F 582 -19.601 40.063 -41.752 1.00 1.00 C -ATOM 20745 C GLY F 582 -19.051 38.661 -42.014 1.00 1.00 C -ATOM 20746 O GLY F 582 -18.739 38.331 -43.155 1.00 1.00 O -ATOM 20747 N GLY F 583 -18.940 37.840 -40.965 1.00 1.00 N -ATOM 20748 CA GLY F 583 -18.487 36.461 -41.100 1.00 1.00 C -ATOM 20749 C GLY F 583 -19.531 35.599 -41.779 1.00 1.00 C -ATOM 20750 O GLY F 583 -20.686 36.010 -41.913 1.00 1.00 O -ATOM 20751 N VAL F 584 -19.155 34.398 -42.211 1.00 1.00 N -ATOM 20752 CA VAL F 584 -20.145 33.534 -42.841 1.00 1.00 C -ATOM 20756 C VAL F 584 -20.220 32.089 -42.326 1.00 1.00 C -ATOM 20757 O VAL F 584 -19.215 31.455 -41.981 1.00 1.00 O -ATOM 20753 CB VAL F 584 -20.130 33.631 -44.403 1.00 1.00 C -ATOM 20754 CG1 VAL F 584 -18.869 34.331 -44.912 1.00 1.00 C -ATOM 20755 CG2 VAL F 584 -20.330 32.281 -45.062 1.00 1.00 C -ATOM 20758 N VAL F 585 -21.458 31.614 -42.247 1.00 1.00 N -ATOM 20759 CA VAL F 585 -21.766 30.237 -41.959 1.00 1.00 C -ATOM 20763 C VAL F 585 -22.001 29.540 -43.293 1.00 1.00 C -ATOM 20764 O VAL F 585 -22.818 29.998 -44.101 1.00 1.00 O -ATOM 20760 CB VAL F 585 -23.015 30.129 -41.054 1.00 1.00 C -ATOM 20761 CG1 VAL F 585 -23.654 28.748 -41.148 1.00 1.00 C -ATOM 20762 CG2 VAL F 585 -22.638 30.435 -39.626 1.00 1.00 C -ATOM 20765 N TYR F 586 -21.260 28.451 -43.523 1.00 1.00 N -ATOM 20766 CA TYR F 586 -21.398 27.653 -44.741 1.00 1.00 C -ATOM 20775 C TYR F 586 -22.081 26.315 -44.438 1.00 1.00 C -ATOM 20776 O TYR F 586 -21.686 25.570 -43.530 1.00 1.00 O -ATOM 20767 CB TYR F 586 -20.038 27.400 -45.409 1.00 1.00 C -ATOM 20768 CG TYR F 586 -19.207 28.640 -45.709 1.00 1.00 C -ATOM 20769 CD1 TYR F 586 -18.438 29.231 -44.722 1.00 1.00 C -ATOM 20774 CD2 TYR F 586 -19.167 29.185 -46.982 1.00 1.00 C -ATOM 20770 CE1 TYR F 586 -17.670 30.326 -44.977 1.00 1.00 C -ATOM 20773 CE2 TYR F 586 -18.396 30.293 -47.250 1.00 1.00 C -ATOM 20771 CZ TYR F 586 -17.651 30.864 -46.238 1.00 1.00 C -ATOM 20772 OH TYR F 586 -16.883 31.974 -46.477 1.00 1.00 O -ATOM 20777 N THR F 587 -23.091 26.004 -45.234 1.00 1.00 N -ATOM 20778 CA THR F 587 -23.944 24.861 -44.968 1.00 1.00 C -ATOM 20782 C THR F 587 -24.116 23.987 -46.207 1.00 1.00 C -ATOM 20783 O THR F 587 -24.371 24.491 -47.296 1.00 1.00 O -ATOM 20779 CB THR F 587 -25.303 25.356 -44.434 1.00 1.00 C -ATOM 20781 CG2 THR F 587 -26.444 24.567 -45.000 1.00 1.00 C -ATOM 20780 OG1 THR F 587 -25.316 25.273 -43.008 1.00 1.00 O -ATOM 20784 N ILE F 588 -23.938 22.679 -46.037 1.00 1.00 N -ATOM 20785 CA ILE F 588 -24.165 21.723 -47.118 1.00 1.00 C -ATOM 20790 C ILE F 588 -24.635 20.380 -46.575 1.00 1.00 C -ATOM 20791 O ILE F 588 -24.148 19.906 -45.550 1.00 1.00 O -ATOM 20786 CB ILE F 588 -22.907 21.517 -47.982 1.00 1.00 C -ATOM 20787 CG1 ILE F 588 -23.257 20.762 -49.266 1.00 1.00 C -ATOM 20789 CG2 ILE F 588 -21.835 20.783 -47.198 1.00 1.00 C -ATOM 20788 CD1 ILE F 588 -22.147 20.786 -50.299 1.00 1.00 C -ATOM 20792 N THR F 589 -25.603 19.780 -47.257 1.00 1.00 N -ATOM 20793 CA THR F 589 -26.111 18.471 -46.871 1.00 1.00 C -ATOM 20797 C THR F 589 -26.827 17.811 -48.045 1.00 1.00 C -ATOM 20798 O THR F 589 -27.306 18.492 -48.950 1.00 1.00 O -ATOM 20794 CB THR F 589 -27.072 18.563 -45.668 1.00 1.00 C -ATOM 20796 CG2 THR F 589 -28.220 19.507 -45.974 1.00 1.00 C -ATOM 20795 OG1 THR F 589 -27.597 17.259 -45.371 1.00 1.00 O -ATOM 20799 N ASP F 590 -26.886 16.483 -48.034 1.00 1.00 N -ATOM 20800 CA ASP F 590 -27.653 15.748 -49.036 1.00 1.00 C -ATOM 20805 C ASP F 590 -29.078 15.500 -48.553 1.00 1.00 C -ATOM 20806 O ASP F 590 -29.908 14.965 -49.285 1.00 1.00 O -ATOM 20801 CB ASP F 590 -26.972 14.417 -49.372 1.00 1.00 C -ATOM 20802 CG ASP F 590 -26.881 13.489 -48.176 1.00 1.00 C -ATOM 20803 OD1 ASP F 590 -26.638 13.980 -47.055 1.00 1.00 O -ATOM 20804 OD2 ASP F 590 -27.050 12.264 -48.357 1.00 1.00 O -ATOM 20807 N VAL F 591 -29.352 15.901 -47.317 1.00 1.00 N -ATOM 20808 CA VAL F 591 -30.621 15.604 -46.670 1.00 1.00 C -ATOM 20812 C VAL F 591 -31.545 16.815 -46.704 1.00 1.00 C -ATOM 20813 O VAL F 591 -31.420 17.743 -45.898 1.00 1.00 O -ATOM 20809 CB VAL F 591 -30.405 15.149 -45.211 1.00 1.00 C -ATOM 20810 CG1 VAL F 591 -31.717 14.725 -44.582 1.00 1.00 C -ATOM 20811 CG2 VAL F 591 -29.394 14.018 -45.165 1.00 1.00 C -ATOM 20814 N LYS F 592 -32.478 16.792 -47.645 1.00 1.00 N -ATOM 20815 CA LYS F 592 -33.350 17.928 -47.892 1.00 1.00 C -ATOM 20821 C LYS F 592 -34.016 18.460 -46.629 1.00 1.00 C -ATOM 20822 O LYS F 592 -34.138 19.674 -46.448 1.00 1.00 O -ATOM 20816 CB LYS F 592 -34.407 17.571 -48.938 1.00 1.00 C -ATOM 20817 CG LYS F 592 -35.234 18.765 -49.401 1.00 1.00 C -ATOM 20818 CD LYS F 592 -36.067 18.419 -50.619 1.00 1.00 C -ATOM 20819 CE LYS F 592 -36.950 19.578 -51.035 1.00 1.00 C -ATOM 20820 NZ LYS F 592 -37.631 19.315 -52.335 1.00 1.00 N -ATOM 20823 N ASP F 593 -34.445 17.551 -45.761 1.00 1.00 N -ATOM 20824 CA ASP F 593 -35.132 17.935 -44.533 1.00 1.00 C -ATOM 20829 C ASP F 593 -34.190 18.625 -43.550 1.00 1.00 C -ATOM 20830 O ASP F 593 -34.585 19.543 -42.831 1.00 1.00 O -ATOM 20825 CB ASP F 593 -35.787 16.714 -43.878 1.00 1.00 C -ATOM 20826 CG ASP F 593 -36.954 16.175 -44.686 1.00 1.00 C -ATOM 20827 OD1 ASP F 593 -37.940 15.708 -44.074 1.00 1.00 O -ATOM 20828 OD2 ASP F 593 -36.888 16.226 -45.934 1.00 1.00 O -ATOM 20831 N LEU F 594 -32.944 18.169 -43.518 1.00 1.00 N -ATOM 20832 CA LEU F 594 -31.934 18.791 -42.677 1.00 1.00 C -ATOM 20837 C LEU F 594 -31.598 20.164 -43.259 1.00 1.00 C -ATOM 20838 O LEU F 594 -31.456 21.151 -42.533 1.00 1.00 O -ATOM 20833 CB LEU F 594 -30.694 17.908 -42.614 1.00 1.00 C -ATOM 20834 CG LEU F 594 -29.507 18.424 -41.808 1.00 1.00 C -ATOM 20835 CD1 LEU F 594 -29.930 18.735 -40.384 1.00 1.00 C -ATOM 20836 CD2 LEU F 594 -28.389 17.403 -41.831 1.00 1.00 C -ATOM 20839 N HIS F 595 -31.489 20.217 -44.582 1.00 1.00 N -ATOM 20840 CA HIS F 595 -31.221 21.472 -45.273 1.00 1.00 C -ATOM 20847 C HIS F 595 -32.288 22.516 -44.945 1.00 1.00 C -ATOM 20848 O HIS F 595 -31.968 23.655 -44.607 1.00 1.00 O -ATOM 20841 CB HIS F 595 -31.154 21.250 -46.783 1.00 1.00 C -ATOM 20842 CG HIS F 595 -31.168 22.516 -47.580 1.00 1.00 C -ATOM 20846 CD2 HIS F 595 -32.191 23.211 -48.133 1.00 1.00 C -ATOM 20843 ND1 HIS F 595 -30.019 23.214 -47.887 1.00 1.00 N -ATOM 20844 CE1 HIS F 595 -30.335 24.283 -48.599 1.00 1.00 C -ATOM 20845 NE2 HIS F 595 -31.645 24.304 -48.762 1.00 1.00 N -ATOM 20849 N GLU F 596 -33.554 22.123 -45.037 1.00 1.00 N -ATOM 20850 CA GLU F 596 -34.646 23.060 -44.816 1.00 1.00 C -ATOM 20856 C GLU F 596 -34.781 23.438 -43.346 1.00 1.00 C -ATOM 20857 O GLU F 596 -35.209 24.544 -43.015 1.00 1.00 O -ATOM 20851 CB GLU F 596 -35.955 22.496 -45.369 1.00 1.00 C -ATOM 20852 CG GLU F 596 -35.915 22.298 -46.877 1.00 1.00 C -ATOM 20853 CD GLU F 596 -37.161 21.633 -47.423 1.00 1.00 C -ATOM 20854 OE1 GLU F 596 -37.295 21.551 -48.665 1.00 1.00 O -ATOM 20855 OE2 GLU F 596 -38.006 21.192 -46.615 1.00 1.00 O -ATOM 20858 N TRP F 597 -34.399 22.520 -42.466 1.00 1.00 N -ATOM 20859 CA TRP F 597 -34.453 22.775 -41.036 1.00 1.00 C -ATOM 20870 C TRP F 597 -33.398 23.807 -40.657 1.00 1.00 C -ATOM 20871 O TRP F 597 -33.684 24.766 -39.938 1.00 1.00 O -ATOM 20860 CB TRP F 597 -34.255 21.475 -40.250 1.00 1.00 C -ATOM 20861 CG TRP F 597 -34.173 21.671 -38.778 1.00 1.00 C -ATOM 20862 CD1 TRP F 597 -35.215 21.719 -37.892 1.00 1.00 C -ATOM 20865 CD2 TRP F 597 -32.980 21.835 -38.004 1.00 1.00 C -ATOM 20864 CE2 TRP F 597 -33.374 21.986 -36.656 1.00 1.00 C -ATOM 20866 CE3 TRP F 597 -31.620 21.869 -38.320 1.00 1.00 C -ATOM 20863 NE1 TRP F 597 -34.741 21.908 -36.614 1.00 1.00 N -ATOM 20869 CZ2 TRP F 597 -32.454 22.173 -35.628 1.00 1.00 C -ATOM 20867 CZ3 TRP F 597 -30.707 22.051 -37.298 1.00 1.00 C -ATOM 20868 CH2 TRP F 597 -31.128 22.200 -35.966 1.00 1.00 C -ATOM 20872 N MET F 598 -32.179 23.610 -41.153 1.00 1.00 N -ATOM 20873 CA MET F 598 -31.112 24.580 -40.937 1.00 1.00 C -ATOM 20878 C MET F 598 -31.501 25.937 -41.501 1.00 1.00 C -ATOM 20879 O MET F 598 -31.374 26.944 -40.820 1.00 1.00 O -ATOM 20874 CB MET F 598 -29.802 24.116 -41.574 1.00 1.00 C -ATOM 20875 CG MET F 598 -29.158 22.937 -40.879 1.00 1.00 C -ATOM 20876 SD MET F 598 -27.629 22.420 -41.670 1.00 1.00 S -ATOM 20877 CE MET F 598 -26.411 23.309 -40.718 1.00 1.00 C -ATOM 20880 N VAL F 599 -31.962 25.961 -42.749 1.00 1.00 N -ATOM 20881 CA VAL F 599 -32.359 27.213 -43.402 1.00 1.00 C -ATOM 20885 C VAL F 599 -33.434 27.935 -42.587 1.00 1.00 C -ATOM 20886 O VAL F 599 -33.347 29.141 -42.343 1.00 1.00 O -ATOM 20882 CB VAL F 599 -32.885 26.969 -44.833 1.00 1.00 C -ATOM 20883 CG1 VAL F 599 -33.683 28.168 -45.325 1.00 1.00 C -ATOM 20884 CG2 VAL F 599 -31.740 26.656 -45.786 1.00 1.00 C -ATOM 20887 N LYS F 600 -34.436 27.179 -42.152 1.00 1.00 N -ATOM 20888 CA LYS F 600 -35.533 27.733 -41.366 1.00 1.00 C -ATOM 20894 C LYS F 600 -35.048 28.512 -40.151 1.00 1.00 C -ATOM 20895 O LYS F 600 -35.501 29.628 -39.894 1.00 1.00 O -ATOM 20889 CB LYS F 600 -36.482 26.624 -40.908 1.00 1.00 C -ATOM 20890 CG LYS F 600 -37.551 27.107 -39.943 1.00 1.00 C -ATOM 20891 CD LYS F 600 -38.664 26.082 -39.760 1.00 1.00 C -ATOM 20892 CE LYS F 600 -39.805 26.665 -38.932 1.00 1.00 C -ATOM 20893 NZ LYS F 600 -41.116 26.050 -39.276 1.00 1.00 N -ATOM 20896 N HIS F 601 -34.134 27.919 -39.395 1.00 1.00 N -ATOM 20897 CA HIS F 601 -33.687 28.532 -38.149 1.00 1.00 C -ATOM 20904 C HIS F 601 -32.623 29.611 -38.337 1.00 1.00 C -ATOM 20905 O HIS F 601 -32.536 30.549 -37.543 1.00 1.00 O -ATOM 20898 CB HIS F 601 -33.216 27.464 -37.170 1.00 1.00 C -ATOM 20899 CG HIS F 601 -34.309 26.538 -36.743 1.00 1.00 C -ATOM 20903 CD2 HIS F 601 -35.298 26.691 -35.834 1.00 1.00 C -ATOM 20900 ND1 HIS F 601 -34.489 25.291 -37.301 1.00 1.00 N -ATOM 20901 CE1 HIS F 601 -35.534 24.709 -36.743 1.00 1.00 C -ATOM 20902 NE2 HIS F 601 -36.042 25.536 -35.847 1.00 1.00 N -ATOM 20906 N LEU F 602 -31.819 29.474 -39.385 1.00 1.00 N -ATOM 20907 CA LEU F 602 -30.835 30.500 -39.704 1.00 1.00 C -ATOM 20912 C LEU F 602 -31.504 31.805 -40.139 1.00 1.00 C -ATOM 20913 O LEU F 602 -31.092 32.885 -39.715 1.00 1.00 O -ATOM 20908 CB LEU F 602 -29.837 29.999 -40.747 1.00 1.00 C -ATOM 20909 CG LEU F 602 -28.785 29.076 -40.119 1.00 1.00 C -ATOM 20910 CD1 LEU F 602 -27.973 28.338 -41.171 1.00 1.00 C -ATOM 20911 CD2 LEU F 602 -27.887 29.884 -39.186 1.00 1.00 C -ATOM 20914 N GLU F 603 -32.551 31.702 -40.952 1.00 1.00 N -ATOM 20915 CA GLU F 603 -33.274 32.887 -41.393 1.00 1.00 C -ATOM 20921 C GLU F 603 -34.100 33.506 -40.263 1.00 1.00 C -ATOM 20922 O GLU F 603 -34.199 34.728 -40.164 1.00 1.00 O -ATOM 20916 CB GLU F 603 -34.135 32.598 -42.623 1.00 1.00 C -ATOM 20917 CG GLU F 603 -35.110 31.454 -42.458 1.00 1.00 C -ATOM 20918 CD GLU F 603 -35.815 31.109 -43.759 1.00 1.00 C -ATOM 20919 OE1 GLU F 603 -35.883 31.990 -44.647 1.00 1.00 O -ATOM 20920 OE2 GLU F 603 -36.300 29.963 -43.892 1.00 1.00 O -ATOM 20923 N GLU F 604 -34.664 32.669 -39.399 1.00 1.00 N -ATOM 20924 CA GLU F 604 -35.406 33.161 -38.236 1.00 1.00 C -ATOM 20930 C GLU F 604 -34.552 34.016 -37.305 1.00 1.00 C -ATOM 20931 O GLU F 604 -35.007 35.045 -36.813 1.00 1.00 O -ATOM 20925 CB GLU F 604 -35.996 31.999 -37.431 1.00 1.00 C -ATOM 20926 CG GLU F 604 -37.258 31.406 -38.013 1.00 1.00 C -ATOM 20927 CD GLU F 604 -37.647 30.112 -37.329 1.00 1.00 C -ATOM 20928 OE1 GLU F 604 -37.087 29.815 -36.245 1.00 1.00 O -ATOM 20929 OE2 GLU F 604 -38.508 29.389 -37.877 1.00 1.00 O -ATOM 20932 N HIS F 605 -33.327 33.572 -37.038 1.00 1.00 N -ATOM 20933 CA HIS F 605 -32.419 34.328 -36.183 1.00 1.00 C -ATOM 20940 C HIS F 605 -32.129 35.694 -36.809 1.00 1.00 C -ATOM 20941 O HIS F 605 -31.863 35.781 -38.007 1.00 1.00 O -ATOM 20934 CB HIS F 605 -31.122 33.548 -35.965 1.00 1.00 C -ATOM 20935 CG HIS F 605 -30.354 33.986 -34.756 1.00 1.00 C -ATOM 20939 CD2 HIS F 605 -30.265 33.445 -33.514 1.00 1.00 C -ATOM 20936 ND1 HIS F 605 -29.570 35.121 -34.741 1.00 1.00 N -ATOM 20937 CE1 HIS F 605 -29.024 35.256 -33.544 1.00 1.00 C -ATOM 20938 NE2 HIS F 605 -29.433 34.255 -32.781 1.00 1.00 N -ATOM 20942 N PRO F 606 -32.186 36.768 -36.001 1.00 1.00 N -ATOM 20943 CA PRO F 606 -32.050 38.146 -36.504 1.00 1.00 C -ATOM 20947 C PRO F 606 -30.612 38.546 -36.851 1.00 1.00 C -ATOM 20948 O PRO F 606 -30.392 39.595 -37.466 1.00 1.00 O -ATOM 20944 CB PRO F 606 -32.555 39.007 -35.336 1.00 1.00 C -ATOM 20945 CG PRO F 606 -33.039 38.029 -34.271 1.00 1.00 C -ATOM 20946 CD PRO F 606 -32.387 36.729 -34.543 1.00 1.00 C -ATOM 20949 N LEU F 607 -29.643 37.728 -36.462 1.00 1.00 N -ATOM 20950 CA LEU F 607 -28.246 38.005 -36.789 1.00 1.00 C -ATOM 20955 C LEU F 607 -27.720 37.242 -38.012 1.00 1.00 C -ATOM 20956 O LEU F 607 -26.531 37.311 -38.316 1.00 1.00 O -ATOM 20951 CB LEU F 607 -27.356 37.711 -35.583 1.00 1.00 C -ATOM 20952 CG LEU F 607 -26.910 38.895 -34.736 1.00 1.00 C -ATOM 20953 CD1 LEU F 607 -27.693 40.155 -35.079 1.00 1.00 C -ATOM 20954 CD2 LEU F 607 -26.990 38.550 -33.253 1.00 1.00 C -ATOM 20957 N PHE F 608 -28.588 36.512 -38.707 1.00 1.00 N -ATOM 20958 CA PHE F 608 -28.140 35.771 -39.895 1.00 1.00 C -ATOM 20966 C PHE F 608 -28.964 36.106 -41.128 1.00 1.00 C -ATOM 20967 O PHE F 608 -30.180 36.148 -41.062 1.00 1.00 O -ATOM 20959 CB PHE F 608 -28.132 34.250 -39.644 1.00 1.00 C -ATOM 20960 CG PHE F 608 -27.061 33.802 -38.694 1.00 1.00 C -ATOM 20961 CD1 PHE F 608 -27.382 33.446 -37.381 1.00 1.00 C -ATOM 20965 CD2 PHE F 608 -25.731 33.753 -39.096 1.00 1.00 C -ATOM 20962 CE1 PHE F 608 -26.397 33.046 -36.489 1.00 1.00 C -ATOM 20964 CE2 PHE F 608 -24.743 33.354 -38.218 1.00 1.00 C -ATOM 20963 CZ PHE F 608 -25.077 32.999 -36.903 1.00 1.00 C -ATOM 20968 N GLU F 609 -28.286 36.341 -42.248 1.00 1.00 N -ATOM 20969 CA GLU F 609 -28.938 36.727 -43.499 1.00 1.00 C -ATOM 20975 C GLU F 609 -28.434 35.833 -44.627 1.00 1.00 C -ATOM 20976 O GLU F 609 -27.227 35.665 -44.790 1.00 1.00 O -ATOM 20970 CB GLU F 609 -28.620 38.187 -43.821 1.00 1.00 C -ATOM 20971 CG GLU F 609 -29.353 38.744 -45.040 1.00 1.00 C -ATOM 20972 CD GLU F 609 -30.829 39.000 -44.769 1.00 1.00 C -ATOM 20973 OE1 GLU F 609 -31.673 38.665 -45.629 1.00 1.00 O -ATOM 20974 OE2 GLU F 609 -31.146 39.534 -43.686 1.00 1.00 O -ATOM 20977 N ARG F 610 -29.333 35.243 -45.406 1.00 1.00 N -ATOM 20978 CA ARG F 610 -28.851 34.310 -46.418 1.00 1.00 C -ATOM 20986 C ARG F 610 -28.198 35.012 -47.590 1.00 1.00 C -ATOM 20987 O ARG F 610 -28.689 36.026 -48.076 1.00 1.00 O -ATOM 20979 CB ARG F 610 -29.926 33.353 -46.938 1.00 1.00 C -ATOM 20980 CG ARG F 610 -29.333 31.951 -47.097 1.00 1.00 C -ATOM 20981 CD ARG F 610 -29.713 31.246 -48.379 1.00 1.00 C -ATOM 20982 NE ARG F 610 -30.942 30.479 -48.232 1.00 1.00 N -ATOM 20983 CZ ARG F 610 -31.199 29.369 -48.909 1.00 1.00 C -ATOM 20984 NH1 ARG F 610 -30.301 28.898 -49.762 1.00 1.00 N -ATOM 20985 NH2 ARG F 610 -32.347 28.727 -48.725 1.00 1.00 N -ATOM 20988 N LEU F 611 -27.083 34.454 -48.029 1.00 1.00 N -ATOM 20989 CA LEU F 611 -26.410 34.929 -49.211 1.00 1.00 C -ATOM 20994 C LEU F 611 -27.085 34.317 -50.432 1.00 1.00 C -ATOM 20995 O LEU F 611 -27.720 33.262 -50.337 1.00 1.00 O -ATOM 20990 CB LEU F 611 -24.937 34.552 -49.150 1.00 1.00 C -ATOM 20991 CG LEU F 611 -24.231 35.272 -48.003 1.00 1.00 C -ATOM 20992 CD1 LEU F 611 -22.950 34.542 -47.606 1.00 1.00 C -ATOM 20993 CD2 LEU F 611 -23.968 36.738 -48.388 1.00 1.00 C -ATOM 20996 N SER F 612 -26.939 34.988 -51.569 1.00 1.00 N -ATOM 20997 CA SER F 612 -27.649 34.635 -52.788 1.00 1.00 C -ATOM 21000 C SER F 612 -26.977 33.480 -53.507 1.00 1.00 C -ATOM 21001 O SER F 612 -25.845 33.112 -53.188 1.00 1.00 O -ATOM 20998 CB SER F 612 -27.701 35.850 -53.717 1.00 1.00 C -ATOM 20999 OG SER F 612 -26.429 36.075 -54.305 1.00 1.00 O -ATOM 21002 N LYS F 613 -27.680 32.908 -54.479 1.00 1.00 N -ATOM 21003 CA LYS F 613 -27.089 31.906 -55.363 1.00 1.00 C -ATOM 21009 C LYS F 613 -25.856 32.467 -56.060 1.00 1.00 C -ATOM 21010 O LYS F 613 -24.836 31.792 -56.152 1.00 1.00 O -ATOM 21004 CB LYS F 613 -28.107 31.440 -56.405 1.00 1.00 C -ATOM 21005 CG LYS F 613 -29.486 31.178 -55.825 1.00 1.00 C -ATOM 21006 CD LYS F 613 -30.491 30.782 -56.894 1.00 1.00 C -ATOM 21007 CE LYS F 613 -31.907 30.770 -56.333 1.00 1.00 C -ATOM 21008 NZ LYS F 613 -32.898 30.215 -57.295 1.00 1.00 N -ATOM 21011 N GLU F 614 -25.960 33.709 -56.539 1.00 1.00 N -ATOM 21012 CA GLU F 614 -24.850 34.379 -57.214 1.00 1.00 C -ATOM 21018 C GLU F 614 -23.632 34.471 -56.321 1.00 1.00 C -ATOM 21019 O GLU F 614 -22.507 34.279 -56.777 1.00 1.00 O -ATOM 21013 CB GLU F 614 -25.237 35.800 -57.625 1.00 1.00 C -ATOM 21014 CG GLU F 614 -25.624 35.969 -59.066 1.00 1.00 C -ATOM 21015 CD GLU F 614 -25.769 37.433 -59.433 1.00 1.00 C -ATOM 21016 OE1 GLU F 614 -25.502 38.284 -58.557 1.00 1.00 O -ATOM 21017 OE2 GLU F 614 -26.141 37.731 -60.590 1.00 1.00 O -ATOM 21020 N TRP F 615 -23.858 34.809 -55.057 1.00 1.00 N -ATOM 21021 CA TRP F 615 -22.777 34.845 -54.084 1.00 1.00 C -ATOM 21032 C TRP F 615 -22.135 33.466 -53.966 1.00 1.00 C -ATOM 21033 O TRP F 615 -20.917 33.343 -54.076 1.00 1.00 O -ATOM 21022 CB TRP F 615 -23.287 35.320 -52.720 1.00 1.00 C -ATOM 21023 CG TRP F 615 -22.189 35.693 -51.770 1.00 1.00 C -ATOM 21024 CD1 TRP F 615 -21.718 36.951 -51.513 1.00 1.00 C -ATOM 21027 CD2 TRP F 615 -21.426 34.802 -50.947 1.00 1.00 C -ATOM 21026 CE2 TRP F 615 -20.504 35.591 -50.221 1.00 1.00 C -ATOM 21028 CE3 TRP F 615 -21.439 33.419 -50.743 1.00 1.00 C -ATOM 21025 NE1 TRP F 615 -20.705 36.897 -50.584 1.00 1.00 N -ATOM 21031 CZ2 TRP F 615 -19.605 35.040 -49.306 1.00 1.00 C -ATOM 21029 CZ3 TRP F 615 -20.536 32.868 -49.835 1.00 1.00 C -ATOM 21030 CH2 TRP F 615 -19.635 33.679 -49.129 1.00 1.00 C -ATOM 21034 N GLU F 616 -22.953 32.436 -53.746 1.00 1.00 N -ATOM 21035 CA GLU F 616 -22.456 31.056 -53.670 1.00 1.00 C -ATOM 21041 C GLU F 616 -21.652 30.654 -54.911 1.00 1.00 C -ATOM 21042 O GLU F 616 -20.575 30.060 -54.804 1.00 1.00 O -ATOM 21036 CB GLU F 616 -23.608 30.058 -53.513 1.00 1.00 C -ATOM 21037 CG GLU F 616 -24.480 30.243 -52.298 1.00 1.00 C -ATOM 21038 CD GLU F 616 -25.536 29.165 -52.199 1.00 1.00 C -ATOM 21039 OE1 GLU F 616 -25.507 28.241 -53.039 1.00 1.00 O -ATOM 21040 OE2 GLU F 616 -26.394 29.231 -51.293 1.00 1.00 O -ATOM 21043 N GLU F 617 -22.186 30.961 -56.089 1.00 1.00 N -ATOM 21044 CA GLU F 617 -21.566 30.503 -57.336 1.00 1.00 C -ATOM 21050 C GLU F 617 -20.188 31.109 -57.562 1.00 1.00 C -ATOM 21051 O GLU F 617 -19.356 30.535 -58.262 1.00 1.00 O -ATOM 21045 CB GLU F 617 -22.475 30.793 -58.527 1.00 1.00 C -ATOM 21046 CG GLU F 617 -23.842 30.145 -58.414 1.00 1.00 C -ATOM 21047 CD GLU F 617 -24.820 30.694 -59.429 1.00 1.00 C -ATOM 21048 OE1 GLU F 617 -24.465 31.679 -60.109 1.00 1.00 O -ATOM 21049 OE2 GLU F 617 -25.937 30.145 -59.550 1.00 1.00 O -ATOM 21052 N ASN F 618 -19.946 32.263 -56.954 1.00 1.00 N -ATOM 21053 CA ASN F 618 -18.678 32.960 -57.136 1.00 1.00 C -ATOM 21058 C ASN F 618 -17.748 32.837 -55.934 1.00 1.00 C -ATOM 21059 O ASN F 618 -16.718 33.519 -55.853 1.00 1.00 O -ATOM 21054 CB ASN F 618 -18.933 34.432 -57.480 1.00 1.00 C -ATOM 21055 CG ASN F 618 -19.436 34.611 -58.905 1.00 1.00 C -ATOM 21057 ND2 ASN F 618 -20.723 34.927 -59.048 1.00 1.00 N -ATOM 21056 OD1 ASN F 618 -18.678 34.444 -59.867 1.00 1.00 O -ATOM 21060 N ASP F 619 -18.117 31.963 -55.002 1.00 1.00 N -ATOM 21061 CA ASP F 619 -17.341 31.792 -53.784 1.00 1.00 C -ATOM 21066 C ASP F 619 -16.479 30.538 -53.827 1.00 1.00 C -ATOM 21067 O ASP F 619 -16.964 29.451 -54.115 1.00 1.00 O -ATOM 21062 CB ASP F 619 -18.251 31.762 -52.559 1.00 1.00 C -ATOM 21063 CG ASP F 619 -17.472 31.682 -51.271 1.00 1.00 C -ATOM 21064 OD1 ASP F 619 -17.373 30.576 -50.711 1.00 1.00 O -ATOM 21065 OD2 ASP F 619 -16.946 32.720 -50.826 1.00 1.00 O -ATOM 21068 N GLU F 620 -15.196 30.710 -53.535 1.00 1.00 N -ATOM 21069 CA GLU F 620 -14.230 29.623 -53.588 1.00 1.00 C -ATOM 21075 C GLU F 620 -14.436 28.597 -52.471 1.00 1.00 C -ATOM 21076 O GLU F 620 -14.091 27.423 -52.625 1.00 1.00 O -ATOM 21070 CB GLU F 620 -12.812 30.193 -53.500 1.00 1.00 C -ATOM 21071 CG GLU F 620 -11.736 29.167 -53.784 1.00 1.00 C -ATOM 21072 CD GLU F 620 -11.865 28.587 -55.175 1.00 1.00 C -ATOM 21073 OE1 GLU F 620 -12.300 29.333 -56.085 1.00 1.00 O -ATOM 21074 OE2 GLU F 620 -11.539 27.390 -55.352 1.00 1.00 O -ATOM 21077 N CYS F 621 -14.980 29.051 -51.345 1.00 1.00 N -ATOM 21078 CA CYS F 621 -15.227 28.177 -50.196 1.00 1.00 C -ATOM 21081 C CYS F 621 -16.381 27.221 -50.467 1.00 1.00 C -ATOM 21082 O CYS F 621 -16.332 26.059 -50.076 1.00 1.00 O -ATOM 21079 CB CYS F 621 -15.503 29.003 -48.930 1.00 1.00 C -ATOM 21080 SG CYS F 621 -14.048 29.875 -48.268 1.00 1.00 S -ATOM 21083 N VAL F 622 -17.426 27.716 -51.126 1.00 1.00 N -ATOM 21084 CA VAL F 622 -18.519 26.856 -51.550 1.00 1.00 C -ATOM 21088 C VAL F 622 -17.973 25.778 -52.479 1.00 1.00 C -ATOM 21089 O VAL F 622 -18.272 24.596 -52.318 1.00 1.00 O -ATOM 21085 CB VAL F 622 -19.597 27.641 -52.302 1.00 1.00 C -ATOM 21086 CG1 VAL F 622 -20.658 26.686 -52.853 1.00 1.00 C -ATOM 21087 CG2 VAL F 622 -20.212 28.699 -51.393 1.00 1.00 C -ATOM 21090 N LYS F 623 -17.155 26.191 -53.441 1.00 1.00 N -ATOM 21091 CA LYS F 623 -16.556 25.249 -54.383 1.00 1.00 C -ATOM 21097 C LYS F 623 -15.798 24.122 -53.669 1.00 1.00 C -ATOM 21098 O LYS F 623 -16.104 22.952 -53.859 1.00 1.00 O -ATOM 21092 CB LYS F 623 -15.655 25.981 -55.382 1.00 1.00 C -ATOM 21093 CG LYS F 623 -16.435 26.714 -56.470 1.00 1.00 C -ATOM 21094 CD LYS F 623 -15.512 27.333 -57.524 1.00 1.00 C -ATOM 21095 CE LYS F 623 -16.204 27.450 -58.883 1.00 1.00 C -ATOM 21096 NZ LYS F 623 -17.504 28.197 -58.842 1.00 1.00 N -ATOM 21099 N ILE F 624 -14.817 24.488 -52.849 1.00 1.00 N -ATOM 21100 CA ILE F 624 -14.084 23.533 -52.027 1.00 1.00 C -ATOM 21105 C ILE F 624 -14.986 22.638 -51.170 1.00 1.00 C -ATOM 21106 O ILE F 624 -14.800 21.421 -51.093 1.00 1.00 O -ATOM 21101 CB ILE F 624 -13.126 24.272 -51.081 1.00 1.00 C -ATOM 21102 CG1 ILE F 624 -11.959 24.857 -51.878 1.00 1.00 C -ATOM 21104 CG2 ILE F 624 -12.652 23.336 -49.952 1.00 1.00 C -ATOM 21103 CD1 ILE F 624 -10.981 25.662 -51.052 1.00 1.00 C -ATOM 21107 N MET F 625 -15.963 23.267 -50.535 1.00 1.00 N -ATOM 21108 CA MET F 625 -16.850 22.617 -49.586 1.00 1.00 C -ATOM 21113 C MET F 625 -17.682 21.476 -50.184 1.00 1.00 C -ATOM 21114 O MET F 625 -18.074 20.535 -49.483 1.00 1.00 O -ATOM 21109 CB MET F 625 -17.773 23.684 -49.010 1.00 1.00 C -ATOM 21110 CG MET F 625 -18.860 23.194 -48.121 1.00 1.00 C -ATOM 21111 SD MET F 625 -19.914 24.584 -47.696 1.00 1.00 S -ATOM 21112 CE MET F 625 -20.746 23.889 -46.277 1.00 1.00 C -ATOM 21115 N ARG F 626 -17.948 21.557 -51.477 1.00 1.00 N -ATOM 21116 CA ARG F 626 -18.876 20.630 -52.116 1.00 1.00 C -ATOM 21124 C ARG F 626 -18.365 19.195 -52.215 1.00 1.00 C -ATOM 21125 O ARG F 626 -19.159 18.262 -52.272 1.00 1.00 O -ATOM 21117 CB ARG F 626 -19.274 21.144 -53.504 1.00 1.00 C -ATOM 21118 CG ARG F 626 -20.531 21.997 -53.509 1.00 1.00 C -ATOM 21119 CD ARG F 626 -21.259 21.854 -54.838 1.00 1.00 C -ATOM 21120 NE ARG F 626 -22.661 22.256 -54.757 1.00 1.00 N -ATOM 21121 CZ ARG F 626 -23.084 23.491 -54.992 1.00 1.00 C -ATOM 21122 NH1 ARG F 626 -22.209 24.431 -55.314 1.00 1.00 N -ATOM 21123 NH2 ARG F 626 -24.374 23.790 -54.902 1.00 1.00 N -ATOM 21126 N ASN F 627 -17.049 19.012 -52.222 1.00 1.00 N -ATOM 21127 CA ASN F 627 -16.490 17.698 -52.520 1.00 1.00 C -ATOM 21132 C ASN F 627 -15.171 17.426 -51.808 1.00 1.00 C -ATOM 21133 O ASN F 627 -14.484 16.453 -52.112 1.00 1.00 O -ATOM 21128 CB ASN F 627 -16.300 17.551 -54.035 1.00 1.00 C -ATOM 21129 CG ASN F 627 -16.579 16.150 -54.523 1.00 1.00 C -ATOM 21131 ND2 ASN F 627 -15.995 15.791 -55.666 1.00 1.00 N -ATOM 21130 OD1 ASN F 627 -17.316 15.396 -53.885 1.00 1.00 O -ATOM 21134 N ALA F 628 -14.817 18.290 -50.863 1.00 1.00 N -ATOM 21135 CA ALA F 628 -13.579 18.131 -50.103 1.00 1.00 C -ATOM 21137 C ALA F 628 -13.610 16.918 -49.167 1.00 1.00 C -ATOM 21138 O ALA F 628 -12.572 16.345 -48.844 1.00 1.00 O -ATOM 21136 CB ALA F 628 -13.298 19.391 -49.301 1.00 1.00 C -ATOM 21139 N THR F 629 -14.798 16.536 -48.720 1.00 1.00 N -ATOM 21140 CA THR F 629 -14.909 15.579 -47.624 1.00 1.00 C -ATOM 21144 C THR F 629 -15.394 14.217 -48.087 1.00 1.00 C -ATOM 21145 O THR F 629 -16.109 14.112 -49.082 1.00 1.00 O -ATOM 21141 CB THR F 629 -15.879 16.084 -46.538 1.00 1.00 C -ATOM 21143 CG2 THR F 629 -15.556 17.528 -46.155 1.00 1.00 C -ATOM 21142 OG1 THR F 629 -17.228 15.993 -47.016 1.00 1.00 O -ATOM 21146 N GLU F9003X -15.010 13.185 -47.340 1.00 1.00 N -ATOM 21147 CA GLU F9003X -15.408 11.814 -47.629 1.00 1.00 C -ATOM 21148 C GLU F9003X -16.914 11.665 -47.788 1.00 1.00 C -ATOM 21149 O GLU F9003X -17.376 10.858 -48.590 1.00 1.00 O -ATOM 21150 CB GLU F9003X -14.907 10.868 -46.533 1.00 1.00 C -ATOM 21151 CG GLU F9003X -13.447 11.078 -46.173 1.00 1.00 C -ATOM 21152 CD GLU F9003X -12.790 9.830 -45.629 1.00 1.00 C -ATOM 21153 OE1 GLU F9003X -13.517 8.886 -45.245 1.00 1.00 O -ATOM 21154 OE2 GLU F9003X -11.541 9.791 -45.592 1.00 1.00 O -ATOM 21155 N GLU F9004X -17.679 12.432 -47.020 1.00 1.00 N -ATOM 21156 CA GLU F9004X -19.136 12.365 -47.098 1.00 1.00 C -ATOM 21157 C GLU F9004X -19.661 13.007 -48.373 1.00 1.00 C -ATOM 21158 O GLU F9004X -20.634 12.536 -48.952 1.00 1.00 O -ATOM 21159 CB GLU F9004X -19.778 12.970 -45.854 1.00 1.00 C -ATOM 21160 CG GLU F9004X -19.399 12.210 -44.590 1.00 1.00 C -ATOM 21161 CD GLU F9004X -20.594 11.910 -43.718 1.00 1.00 C -ATOM 21162 OE1 GLU F9004X -21.641 12.566 -43.919 1.00 1.00 O -ATOM 21163 OE2 GLU F9004X -20.487 11.019 -42.841 1.00 1.00 O -ATOM 21164 N GLY F9005X -19.016 14.089 -48.802 1.00 1.00 N -ATOM 21165 CA GLY F9005X -19.110 14.522 -50.182 1.00 1.00 C -ATOM 21166 C GLY F9005X -18.316 13.468 -50.930 1.00 1.00 C -ATOM 21167 O GLY F9005X -17.665 12.657 -50.289 1.00 1.00 O -ATOM 21168 N LYS F9006X -18.354 13.448 -52.255 1.00 1.00 N -ATOM 21169 CA LYS F9006X -17.720 12.349 -52.994 1.00 1.00 C -ATOM 21170 C LYS F9006X -18.552 11.080 -52.838 1.00 1.00 C -ATOM 21171 O LYS F9006X -18.980 10.487 -53.823 1.00 1.00 O -ATOM 21172 CB LYS F9006X -16.301 12.072 -52.485 1.00 1.00 C -ATOM 21173 CG LYS F9006X -15.374 13.264 -52.439 1.00 1.00 C -ATOM 21174 CD LYS F9006X -14.027 12.848 -51.866 1.00 1.00 C -ATOM 21175 CE LYS F9006X -12.963 13.910 -52.085 1.00 1.00 C -ATOM 21176 NZ LYS F9006X -11.689 13.522 -51.424 1.00 1.00 N -ATOM 21177 N LYS F9007X -18.754 10.661 -51.588 1.00 1.00 N -ATOM 21178 CA LYS F9007X -19.714 9.617 -51.266 1.00 1.00 C -ATOM 21179 C LYS F9007X -21.027 9.922 -51.961 1.00 1.00 C -ATOM 21180 O LYS F9007X -21.557 9.103 -52.709 1.00 1.00 O -ATOM 21181 CB LYS F9007X -19.976 9.588 -49.764 1.00 1.00 C -ATOM 21182 CG LYS F9007X -19.247 8.522 -48.973 1.00 1.00 C -ATOM 21183 CD LYS F9007X -19.445 8.789 -47.481 1.00 1.00 C -ATOM 21184 CE LYS F9007X -19.663 7.513 -46.685 1.00 1.00 C -ATOM 21185 NZ LYS F9007X -20.251 7.815 -45.344 1.00 1.00 N -ATOM 21186 N VAL F9008X -21.542 11.120 -51.703 1.00 1.00 N -ATOM 21187 CA VAL F9008X -22.864 11.509 -52.181 1.00 1.00 C -ATOM 21188 C VAL F9008X -22.950 11.582 -53.706 1.00 1.00 C -ATOM 21189 O VAL F9008X -23.967 11.207 -54.290 1.00 1.00 O -ATOM 21190 CB VAL F9008X -23.333 12.837 -51.544 1.00 1.00 C -ATOM 21191 CG1 VAL F9008X -22.219 13.861 -51.575 1.00 1.00 C -ATOM 21192 CG2 VAL F9008X -24.579 13.362 -52.243 1.00 1.00 C -ATOM 21193 N GLU F9009X -21.892 12.057 -54.354 1.00 1.00 N -ATOM 21194 CA GLU F9009X -21.885 12.104 -55.810 1.00 1.00 C -ATOM 21195 C GLU F9009X -21.830 10.695 -56.409 1.00 1.00 C -ATOM 21196 O GLU F9009X -22.176 10.492 -57.568 1.00 1.00 O -ATOM 21197 CB GLU F9009X -20.741 12.976 -56.337 1.00 1.00 C -ATOM 21198 CG GLU F9009X -19.352 12.492 -55.988 1.00 1.00 C -ATOM 21199 CD GLU F9009X -18.281 13.471 -56.435 1.00 1.00 C -ATOM 21200 OE1 GLU F9009X -18.611 14.668 -56.591 1.00 1.00 O -ATOM 21201 OE2 GLU F9009X -17.117 13.052 -56.634 1.00 1.00 O -ATOM 21202 N ARG F9010X -21.404 9.730 -55.601 1.00 1.00 N -ATOM 21203 CA ARG F9010X -21.426 8.329 -55.994 1.00 1.00 C -ATOM 21204 C ARG F9010X -22.829 7.749 -55.897 1.00 1.00 C -ATOM 21205 O ARG F9010X -23.193 6.851 -56.654 1.00 1.00 O -ATOM 21206 CB ARG F9010X -20.469 7.515 -55.123 1.00 1.00 C -ATOM 21207 CG ARG F9010X -19.233 7.024 -55.851 1.00 1.00 C -ATOM 21208 CD ARG F9010X -18.063 6.852 -54.907 1.00 1.00 C -ATOM 21209 NE ARG F9010X -17.273 8.076 -54.826 1.00 1.00 N -ATOM 21210 CZ ARG F9010X -16.161 8.294 -55.520 1.00 1.00 C -ATOM 21211 NH1 ARG F9010X -15.694 7.360 -56.341 1.00 1.00 N -ATOM 21212 NH2 ARG F9010X -15.510 9.442 -55.385 1.00 1.00 N -ATOM 21213 N LYS F9011X -23.615 8.260 -54.956 1.00 1.00 N -ATOM 21214 CA LYS F9011X -24.980 7.791 -54.763 1.00 1.00 C -ATOM 21215 C LYS F9011X -25.935 8.524 -55.699 1.00 1.00 C -ATOM 21216 O LYS F9011X -27.148 8.320 -55.637 1.00 1.00 O -ATOM 21217 CB LYS F9011X -25.421 8.019 -53.316 1.00 1.00 C -ATOM 21218 CG LYS F9011X -24.573 7.303 -52.283 1.00 1.00 C -ATOM 21219 CD LYS F9011X -24.694 5.795 -52.425 1.00 1.00 C -ATOM 21220 CE LYS F9011X -24.097 5.071 -51.225 1.00 1.00 C -ATOM 21221 NZ LYS F9011X -24.827 5.393 -49.963 1.00 1.00 N -ATOM 21222 N LYS F9012X -25.382 9.377 -56.557 1.00 1.00 N -ATOM 21223 CA LYS F9012X -26.192 10.240 -57.419 1.00 1.00 C -ATOM 21224 C LYS F9012X -26.987 11.244 -56.582 1.00 1.00 C -ATOM 21225 O LYS F9012X -28.059 11.695 -56.987 1.00 1.00 O -ATOM 21226 CB LYS F9012X -27.151 9.406 -58.276 1.00 1.00 C -ATOM 21227 CG LYS F9012X -26.519 8.174 -58.906 1.00 1.00 C -ATOM 21228 CD LYS F9012X -27.575 7.262 -59.510 1.00 1.00 C -ATOM 21229 CE LYS F9012X -26.962 5.958 -60.010 1.00 1.00 C -ATOM 21230 NZ LYS F9012X -27.981 5.080 -60.651 1.00 1.00 N -ATOM 21231 N GLY F9013X -26.456 11.585 -55.411 1.00 1.00 N -ATOM 21232 CA GLY F9013X -27.169 12.419 -54.462 1.00 1.00 C -ATOM 21233 C GLY F9013X -27.166 13.897 -54.809 1.00 1.00 C -ATOM 21234 O GLY F9013X -26.404 14.350 -55.660 1.00 1.00 O -ATOM 21235 N ASP F 641 -28.022 14.649 -54.129 1.00 1.00 N -ATOM 21236 CA ASP F 641 -28.163 16.076 -54.375 1.00 1.00 C -ATOM 21241 C ASP F 641 -27.533 16.855 -53.231 1.00 1.00 C -ATOM 21242 O ASP F 641 -27.797 16.571 -52.063 1.00 1.00 O -ATOM 21237 CB ASP F 641 -29.640 16.442 -54.490 1.00 1.00 C -ATOM 21238 CG ASP F 641 -30.475 15.320 -55.076 1.00 1.00 C -ATOM 21239 OD1 ASP F 641 -31.621 15.129 -54.616 1.00 1.00 O -ATOM 21240 OD2 ASP F 641 -29.986 14.619 -55.989 1.00 1.00 O -ATOM 21243 N LYS F 642 -26.702 17.837 -53.566 1.00 1.00 N -ATOM 21244 CA LYS F 642 -26.029 18.633 -52.548 1.00 1.00 C -ATOM 21250 C LYS F 642 -26.744 19.963 -52.327 1.00 1.00 C -ATOM 21251 O LYS F 642 -26.711 20.853 -53.179 1.00 1.00 O -ATOM 21245 CB LYS F 642 -24.556 18.846 -52.920 1.00 1.00 C -ATOM 21246 CG LYS F 642 -23.868 17.556 -53.344 1.00 1.00 C -ATOM 21247 CD LYS F 642 -22.349 17.644 -53.337 1.00 1.00 C -ATOM 21248 CE LYS F 642 -21.753 16.307 -53.765 1.00 1.00 C -ATOM 21249 NZ LYS F 642 -20.326 16.127 -53.391 1.00 1.00 N -ATOM 21252 N PHE F 643 -27.396 20.081 -51.176 1.00 1.00 N -ATOM 21253 CA PHE F 643 -28.123 21.291 -50.816 1.00 1.00 C -ATOM 21261 C PHE F 643 -27.222 22.250 -50.043 1.00 1.00 C -ATOM 21262 O PHE F 643 -26.792 21.951 -48.931 1.00 1.00 O -ATOM 21254 CB PHE F 643 -29.361 20.940 -49.984 1.00 1.00 C -ATOM 21255 CG PHE F 643 -30.243 19.899 -50.618 1.00 1.00 C -ATOM 21256 CD1 PHE F 643 -30.090 18.557 -50.311 1.00 1.00 C -ATOM 21260 CD2 PHE F 643 -31.223 20.262 -51.524 1.00 1.00 C -ATOM 21257 CE1 PHE F 643 -30.900 17.596 -50.895 1.00 1.00 C -ATOM 21259 CE2 PHE F 643 -32.035 19.307 -52.111 1.00 1.00 C -ATOM 21258 CZ PHE F 643 -31.873 17.973 -51.794 1.00 1.00 C -ATOM 21263 N VAL F 644 -26.936 23.398 -50.646 1.00 1.00 N -ATOM 21264 CA VAL F 644 -26.069 24.403 -50.040 1.00 1.00 C -ATOM 21268 C VAL F 644 -26.888 25.589 -49.540 1.00 1.00 C -ATOM 21269 O VAL F 644 -27.932 25.907 -50.100 1.00 1.00 O -ATOM 21265 CB VAL F 644 -25.025 24.934 -51.058 1.00 1.00 C -ATOM 21266 CG1 VAL F 644 -24.099 25.942 -50.398 1.00 1.00 C -ATOM 21267 CG2 VAL F 644 -24.224 23.787 -51.684 1.00 1.00 C -ATOM 21270 N ALA F 645 -26.409 26.238 -48.484 1.00 1.00 N -ATOM 21271 CA ALA F 645 -26.985 27.492 -48.012 1.00 1.00 C -ATOM 21273 C ALA F 645 -25.973 28.223 -47.131 1.00 1.00 C -ATOM 21274 O ALA F 645 -25.397 27.636 -46.215 1.00 1.00 O -ATOM 21272 CB ALA F 645 -28.268 27.238 -47.248 1.00 1.00 C -ATOM 21275 N CYS F 646 -25.751 29.507 -47.412 1.00 1.00 N -ATOM 21276 CA CYS F 646 -24.793 30.288 -46.638 1.00 1.00 C -ATOM 21279 C CYS F 646 -25.436 31.531 -46.038 1.00 1.00 C -ATOM 21280 O CYS F 646 -26.326 32.136 -46.637 1.00 1.00 O -ATOM 21277 CB CYS F 646 -23.596 30.670 -47.498 1.00 1.00 C -ATOM 21278 SG CYS F 646 -22.742 29.267 -48.248 1.00 1.00 S -ATOM 21281 N PHE F 647 -24.979 31.906 -44.846 1.00 1.00 N -ATOM 21282 CA PHE F 647 -25.512 33.071 -44.161 1.00 1.00 C -ATOM 21290 C PHE F 647 -24.405 34.000 -43.685 1.00 1.00 C -ATOM 21291 O PHE F 647 -23.350 33.542 -43.250 1.00 1.00 O -ATOM 21283 CB PHE F 647 -26.375 32.642 -42.971 1.00 1.00 C -ATOM 21284 CG PHE F 647 -27.689 32.024 -43.366 1.00 1.00 C -ATOM 21285 CD1 PHE F 647 -27.762 30.689 -43.736 1.00 1.00 C -ATOM 21289 CD2 PHE F 647 -28.851 32.775 -43.357 1.00 1.00 C -ATOM 21286 CE1 PHE F 647 -28.965 30.128 -44.108 1.00 1.00 C -ATOM 21288 CE2 PHE F 647 -30.060 32.215 -43.722 1.00 1.00 C -ATOM 21287 CZ PHE F 647 -30.119 30.891 -44.097 1.00 1.00 C -ATOM 21292 N THR F 648 -24.652 35.306 -43.775 1.00 1.00 N -ATOM 21293 CA THR F 648 -23.760 36.290 -43.191 1.00 1.00 C -ATOM 21297 C THR F 648 -24.223 36.624 -41.776 1.00 1.00 C -ATOM 21298 O THR F 648 -25.419 36.713 -41.509 1.00 1.00 O -ATOM 21294 CB THR F 648 -23.741 37.619 -43.991 1.00 1.00 C -ATOM 21296 CG2 THR F 648 -22.540 38.449 -43.596 1.00 1.00 C -ATOM 21295 OG1 THR F 648 -23.694 37.343 -45.392 1.00 1.00 O -ATOM 21299 N ARG F 649 -23.258 36.804 -40.880 1.00 1.00 N -ATOM 21300 CA ARG F 649 -23.523 37.223 -39.516 1.00 1.00 C -ATOM 21308 C ARG F 649 -23.659 38.745 -39.528 1.00 1.00 C -ATOM 21309 O ARG F 649 -22.671 39.476 -39.633 1.00 1.00 O -ATOM 21301 CB ARG F 649 -22.368 36.797 -38.614 1.00 1.00 C -ATOM 21302 CG ARG F 649 -22.664 36.820 -37.123 1.00 1.00 C -ATOM 21303 CD ARG F 649 -22.648 38.224 -36.526 1.00 1.00 C -ATOM 21304 NE ARG F 649 -22.439 38.154 -35.081 1.00 1.00 N -ATOM 21305 CZ ARG F 649 -22.803 39.093 -34.208 1.00 1.00 C -ATOM 21306 NH1 ARG F 649 -23.412 40.201 -34.613 1.00 1.00 N -ATOM 21307 NH2 ARG F 649 -22.554 38.913 -32.918 1.00 1.00 N -ATOM 21310 N LEU F 650 -24.897 39.212 -39.444 1.00 1.00 N -ATOM 21311 CA LEU F 650 -25.195 40.629 -39.461 1.00 1.00 C -ATOM 21316 C LEU F 650 -24.567 41.371 -38.282 1.00 1.00 C -ATOM 21317 O LEU F 650 -24.326 40.792 -37.227 1.00 1.00 O -ATOM 21312 CB LEU F 650 -26.710 40.824 -39.449 1.00 1.00 C -ATOM 21313 CG LEU F 650 -27.461 40.268 -40.662 1.00 1.00 C -ATOM 21314 CD1 LEU F 650 -28.966 40.451 -40.486 1.00 1.00 C -ATOM 21315 CD2 LEU F 650 -26.976 40.958 -41.934 1.00 1.00 C -ATOM 21318 N PRO F 651 -24.304 42.672 -38.465 1.00 1.00 N -ATOM 21319 CA PRO F 651 -23.869 43.523 -37.356 1.00 1.00 C -ATOM 21323 C PRO F 651 -24.967 43.565 -36.309 1.00 1.00 C -ATOM 21324 O PRO F 651 -26.142 43.645 -36.667 1.00 1.00 O -ATOM 21320 CB PRO F 651 -23.749 44.920 -37.987 1.00 1.00 C -ATOM 21321 CG PRO F 651 -24.180 44.810 -39.365 1.00 1.00 C -ATOM 21322 CD PRO F 651 -24.512 43.415 -39.720 1.00 1.00 C -ATOM 21325 N THR F 652 -24.595 43.498 -35.036 1.00 1.00 N -ATOM 21326 CA THR F 652 -25.546 43.713 -33.965 1.00 1.00 C -ATOM 21330 C THR F 652 -25.829 45.213 -33.873 1.00 1.00 C -ATOM 21331 O THR F 652 -24.899 46.013 -33.870 1.00 1.00 O -ATOM 21327 CB THR F 652 -24.969 43.236 -32.625 1.00 1.00 C -ATOM 21329 CG2 THR F 652 -26.009 43.376 -31.509 1.00 1.00 C -ATOM 21328 OG1 THR F 652 -24.561 41.869 -32.740 1.00 1.00 O -ATOM 21332 N PRO F 653 -27.117 45.599 -33.805 1.00 1.00 N -ATOM 21333 CA PRO F 653 -27.461 47.016 -33.639 1.00 1.00 C -ATOM 21337 C PRO F 653 -26.741 47.598 -32.429 1.00 1.00 C -ATOM 21338 O PRO F 653 -26.598 46.915 -31.412 1.00 1.00 O -ATOM 21334 CB PRO F 653 -28.974 46.987 -33.399 1.00 1.00 C -ATOM 21335 CG PRO F 653 -29.436 45.710 -34.021 1.00 1.00 C -ATOM 21336 CD PRO F 653 -28.312 44.737 -33.860 1.00 1.00 C -ATOM 21339 N ALA F 654 -26.280 48.837 -32.548 1.00 1.00 N -ATOM 21340 CA ALA F 654 -25.528 49.489 -31.480 1.00 1.00 C -ATOM 21342 C ALA F 654 -26.403 49.809 -30.262 1.00 1.00 C -ATOM 21343 O ALA F 654 -27.584 50.128 -30.400 1.00 1.00 O -ATOM 21341 CB ALA F 654 -24.852 50.757 -32.008 1.00 1.00 C -ATOM 21344 N ILE F 655 -25.817 49.712 -29.072 1.00 1.00 N -ATOM 21345 CA ILE F 655 -26.524 50.041 -27.845 1.00 1.00 C -ATOM 21350 C ILE F 655 -25.907 51.270 -27.190 1.00 1.00 C -ATOM 21351 O ILE F 655 -26.618 52.189 -26.777 1.00 1.00 O -ATOM 21346 CB ILE F 655 -26.462 48.899 -26.817 1.00 1.00 C -ATOM 21347 CG1 ILE F 655 -26.104 47.572 -27.490 1.00 1.00 C -ATOM 21349 CG2 ILE F 655 -27.768 48.823 -26.019 1.00 1.00 C -ATOM 21348 CD1 ILE F 655 -24.604 47.333 -27.629 1.00 1.00 C -ATOM 21352 N LEU F 656 -24.581 51.260 -27.092 1.00 1.00 N -ATOM 21353 CA LEU F 656 -23.835 52.301 -26.390 1.00 1.00 C -ATOM 21358 C LEU F 656 -23.905 52.069 -24.881 1.00 1.00 C -ATOM 21359 O LEU F 656 -24.897 52.412 -24.233 1.00 1.00 O -ATOM 21354 CB LEU F 656 -24.365 53.692 -26.750 1.00 1.00 C -ATOM 21355 CG LEU F 656 -23.503 54.934 -26.511 1.00 1.00 C -ATOM 21356 CD1 LEU F 656 -24.373 56.165 -26.692 1.00 1.00 C -ATOM 21357 CD2 LEU F 656 -22.848 54.949 -25.133 1.00 1.00 C diff --git a/examples/native2.pdb b/examples/native2.pdb deleted file mode 100644 index 78285bf..0000000 --- a/examples/native2.pdb +++ /dev/null @@ -1,9274 +0,0 @@ -ATOM 1 N SER D 1 5.702 49.140-106.817 1.00 83.34 -ATOM 2 CA SER D 1 4.933 47.944-106.485 1.00 82.68 -ATOM 3 C SER D 1 5.613 47.109-105.406 1.00 71.38 -ATOM 4 O SER D 1 6.606 46.428-105.670 1.00 66.70 -ATOM 5 CB SER D 1 4.700 47.085-107.733 1.00 83.65 -ATOM 6 OG SER D 1 3.777 47.702-108.615 1.00 95.34 -ATOM 0 1H SER D 1 5.224 49.658-107.526 1.00 83.34 H + new -ATOM 0 2H SER D 1 5.804 49.708-106.001 1.00 83.34 H + new -ATOM 0 3H SER D 1 6.606 48.873-107.152 1.00 83.34 H + new -ATOM 0 HA SER D 1 3.964 48.285-106.091 1.00 82.68 H new -ATOM 0 1HB SER D 1 4.322 46.096-107.436 1.00 83.65 H new -ATOM 0 2HB SER D 1 5.655 46.922-108.253 1.00 83.65 H new -ATOM 0 HG SER D 1 3.645 47.122-109.419 1.00 95.34 H new -ATOM 7 N VAL D 2 5.075 47.165-104.192 1.00 62.60 -ATOM 8 CA VAL D 2 5.575 46.339-103.098 1.00 57.65 -ATOM 9 C VAL D 2 4.463 45.437-102.543 1.00 44.98 -ATOM 10 O VAL D 2 3.304 45.847-102.442 1.00 34.41 -ATOM 11 CB VAL D 2 6.188 47.199-101.973 1.00 44.41 -ATOM 12 CG1 VAL D 2 5.147 47.543-100.950 1.00 51.79 -ATOM 13 CG2 VAL D 2 7.331 46.468-101.314 1.00 45.99 -ATOM 0 H VAL D 2 4.310 47.760-103.946 1.00 62.60 H new -ATOM 0 HA VAL D 2 6.373 45.700-103.504 1.00 57.65 H new -ATOM 0 HB VAL D 2 6.570 48.129-102.419 1.00 44.41 H new -ATOM 0 1HG1 VAL D 2 5.600 48.155-100.156 1.00 51.79 H new -ATOM 0 2HG1 VAL D 2 4.334 48.108-101.429 1.00 51.79 H new -ATOM 0 3HG1 VAL D 2 4.742 46.618-100.513 1.00 51.79 H new -ATOM 0 1HG2 VAL D 2 7.756 47.094-100.516 1.00 45.99 H new -ATOM 0 2HG2 VAL D 2 6.964 45.525-100.883 1.00 45.99 H new -ATOM 0 3HG2 VAL D 2 8.108 46.251-102.062 1.00 45.99 H new -ATOM 14 N ILE D 3 4.818 44.194-102.229 1.00 31.92 -ATOM 15 CA ILE D 3 3.892 43.269-101.588 1.00 36.73 -ATOM 16 C ILE D 3 3.778 43.593-100.097 1.00 27.64 -ATOM 17 O ILE D 3 4.786 43.796 -99.413 1.00 16.63 -ATOM 18 CB ILE D 3 4.347 41.813-101.777 1.00 37.63 -ATOM 19 CG1 ILE D 3 4.393 41.468-103.273 1.00 32.02 -ATOM 20 CG2 ILE D 3 3.441 40.864-101.005 1.00 15.66 -ATOM 21 CD1 ILE D 3 4.958 40.089-103.584 1.00 34.91 -ATOM 0 H ILE D 3 5.725 43.812-102.406 1.00 31.92 H new -ATOM 0 HA ILE D 3 2.906 43.385-102.062 1.00 36.73 H new -ATOM 0 HB ILE D 3 5.363 41.696-101.371 1.00 37.63 H new -ATOM 0 1HG1 ILE D 3 3.375 41.534-103.683 1.00 32.02 H new -ATOM 0 2HG1 ILE D 3 4.999 42.225-103.793 1.00 32.02 H new -ATOM 0 1HG2 ILE D 3 3.782 39.829-101.153 1.00 15.66 H new -ATOM 0 2HG2 ILE D 3 3.477 41.112 -99.934 1.00 15.66 H new -ATOM 0 3HG2 ILE D 3 2.408 40.964-101.370 1.00 15.66 H new -ATOM 0 1HD1 ILE D 3 4.954 39.927-104.672 1.00 34.91 H new -ATOM 0 2HD1 ILE D 3 5.990 40.021-103.208 1.00 34.91 H new -ATOM 0 3HD1 ILE D 3 4.340 39.321-103.097 1.00 34.91 H new -ATOM 22 N HIS D 4 2.543 43.676 -99.608 1.00 37.15 -ATOM 23 CA HIS D 4 2.284 43.942 -98.193 1.00 30.32 -ATOM 24 C HIS D 4 3.010 42.898 -97.356 1.00 20.49 -ATOM 25 O HIS D 4 2.885 41.711 -97.626 1.00 17.55 -ATOM 26 CB HIS D 4 0.782 43.873 -97.917 1.00 28.58 -ATOM 27 CG HIS D 4 0.337 44.714 -96.759 1.00 46.27 -ATOM 28 ND1 HIS D 4 0.546 44.350 -95.446 1.00 32.16 -ATOM 29 CD2 HIS D 4 -0.311 45.904 -96.719 1.00 49.77 -ATOM 30 CE1 HIS D 4 0.051 45.280 -94.649 1.00 41.21 -ATOM 31 NE2 HIS D 4 -0.477 46.232 -95.396 1.00 50.85 -ATOM 0 H HIS D 4 1.718 43.565-100.162 1.00 37.15 H new -ATOM 0 HA HIS D 4 2.646 44.947 -97.932 1.00 30.32 H new -ATOM 0 1HB HIS D 4 0.239 44.192 -98.819 1.00 28.58 H new -ATOM 0 2HB HIS D 4 0.502 42.826 -97.726 1.00 28.58 H new -ATOM 0 HD1 HIS D 4 1.001 43.513 -95.144 1.00 32.16 H new -ATOM 0 HD2 HIS D 4 -0.642 46.496 -97.585 1.00 49.77 H new -ATOM 0 HE1 HIS D 4 0.075 45.264 -93.549 1.00 41.21 H new -ATOM 32 N PRO D 5 3.804 43.332 -96.364 1.00 15.31 -ATOM 33 CA PRO D 5 4.465 42.354 -95.483 1.00 27.90 -ATOM 34 C PRO D 5 3.468 41.439 -94.746 1.00 21.72 -ATOM 35 O PRO D 5 2.307 41.802 -94.587 1.00 18.28 -ATOM 36 CB PRO D 5 5.231 43.234 -94.497 1.00 15.75 -ATOM 37 CG PRO D 5 5.470 44.511 -95.253 1.00 19.96 -ATOM 38 CD PRO D 5 4.234 44.711 -96.085 1.00 14.62 -ATOM 0 HA PRO D 5 5.104 41.659 -96.048 1.00 27.90 H new -ATOM 0 1HB PRO D 5 4.649 43.412 -93.581 1.00 15.75 H new -ATOM 0 2HB PRO D 5 6.178 42.765 -94.191 1.00 15.75 H new -ATOM 0 1HG PRO D 5 5.629 45.356 -94.567 1.00 19.96 H new -ATOM 0 2HG PRO D 5 6.367 44.437 -95.885 1.00 19.96 H new -ATOM 0 1HD PRO D 5 3.463 45.277 -95.542 1.00 14.62 H new -ATOM 0 2HD PRO D 5 4.449 45.267 -97.010 1.00 14.62 H new -ATOM 39 N LEU D 6 3.913 40.257 -94.336 1.00 19.40 -ATOM 40 CA LEU D 6 3.050 39.300 -93.654 1.00 19.75 -ATOM 41 C LEU D 6 2.910 39.677 -92.190 1.00 16.67 -ATOM 42 O LEU D 6 3.882 40.025 -91.548 1.00 21.48 -ATOM 43 CB LEU D 6 3.631 37.890 -93.750 1.00 23.81 -ATOM 44 CG LEU D 6 3.958 37.365 -95.146 1.00 23.07 -ATOM 45 CD1 LEU D 6 4.237 35.874 -95.097 1.00 19.00 -ATOM 46 CD2 LEU D 6 2.811 37.671 -96.088 1.00 26.39 -ATOM 0 H LEU D 6 4.854 39.943 -94.463 1.00 19.40 H new -ATOM 0 HA LEU D 6 2.063 39.320 -94.140 1.00 19.75 H new -ATOM 0 1HB LEU D 6 4.552 37.859 -93.149 1.00 23.81 H new -ATOM 0 2HB LEU D 6 2.918 37.195 -93.282 1.00 23.81 H new -ATOM 0 HG LEU D 6 4.863 37.867 -95.520 1.00 23.07 H new -ATOM 0 1HD1 LEU D 6 4.471 35.511 -96.109 1.00 19.00 H new -ATOM 0 2HD1 LEU D 6 5.092 35.682 -94.432 1.00 19.00 H new -ATOM 0 3HD1 LEU D 6 3.351 35.347 -94.714 1.00 19.00 H new -ATOM 0 1HD2 LEU D 6 3.050 37.292 -97.093 1.00 26.39 H new -ATOM 0 2HD2 LEU D 6 1.895 37.185 -95.721 1.00 26.39 H new -ATOM 0 3HD2 LEU D 6 2.655 38.759 -96.135 1.00 26.39 H new -ATOM 47 N GLN D 7 1.703 39.610 -91.652 1.00 21.93 -ATOM 48 CA GLN D 7 1.488 40.045 -90.275 1.00 22.06 -ATOM 49 C GLN D 7 1.688 38.905 -89.287 1.00 21.38 -ATOM 50 O GLN D 7 2.137 39.125 -88.168 1.00 21.58 -ATOM 51 CB GLN D 7 0.109 40.672 -90.108 1.00 22.86 -ATOM 52 CG GLN D 7 0.041 42.159 -90.464 1.00 59.84 -ATOM 53 CD GLN D 7 -0.364 42.433 -91.913 1.00 44.41 -ATOM 54 OE1 GLN D 7 0.023 41.550 -92.816 1.00 51.11 flip -ATOM 55 NE2 GLN D 7 -1.024 43.429 -92.204 1.00 38.66 flip -ATOM 0 H GLN D 7 0.888 39.274 -92.123 1.00 21.93 H new -ATOM 0 HA GLN D 7 2.244 40.812 -90.052 1.00 22.06 H new -ATOM 0 1HB GLN D 7 -0.608 40.124 -90.738 1.00 22.86 H new -ATOM 0 2HB GLN D 7 -0.215 40.543 -89.065 1.00 22.86 H new -ATOM 0 1HG GLN D 7 -0.677 42.654 -89.794 1.00 59.84 H new -ATOM 0 2HG GLN D 7 1.024 42.616 -90.276 1.00 59.84 H new -ATOM 0 1HE2 GLN D 7 -1.287 43.594 -93.154 1.00 38.66 H new -ATOM 0 2HE2 GLN D 7 -1.297 44.074 -91.490 1.00 38.66 H new -ATOM 56 N ASN D 8 1.379 37.687 -89.718 1.00 22.47 -ATOM 57 CA ASN D 8 1.485 36.518 -88.858 1.00 15.22 -ATOM 58 C ASN D 8 1.429 35.222 -89.626 1.00 18.52 -ATOM 59 O ASN D 8 0.865 35.159 -90.711 1.00 18.98 -ATOM 60 CB ASN D 8 0.351 36.507 -87.842 1.00 16.60 -ATOM 61 CG ASN D 8 0.834 36.722 -86.429 1.00 40.87 -ATOM 62 OD1 ASN D 8 0.571 37.767 -85.833 1.00 32.78 -ATOM 63 ND2 ASN D 8 1.543 35.730 -85.875 1.00 29.57 -ATOM 0 H ASN D 8 1.058 37.489 -90.644 1.00 22.47 H new -ATOM 0 HA ASN D 8 2.464 36.591 -88.362 1.00 15.22 H new -ATOM 0 1HB ASN D 8 -0.375 37.292 -88.100 1.00 16.60 H new -ATOM 0 2HB ASN D 8 -0.180 35.545 -87.901 1.00 16.60 H new -ATOM 0 1HD2 ASN D 8 1.883 35.821 -84.939 1.00 29.57 H new -ATOM 0 2HD2 ASN D 8 1.732 34.899 -86.397 1.00 29.57 H new -ATOM 64 N LEU D 9 2.002 34.179 -89.038 1.00 16.78 -ATOM 65 CA LEU D 9 1.905 32.840 -89.577 1.00 17.87 -ATOM 66 C LEU D 9 1.250 31.985 -88.523 1.00 20.12 -ATOM 67 O LEU D 9 1.295 32.308 -87.343 1.00 29.54 -ATOM 68 CB LEU D 9 3.297 32.279 -89.877 1.00 19.78 -ATOM 69 CG LEU D 9 4.191 33.139 -90.756 1.00 24.72 -ATOM 70 CD1 LEU D 9 5.636 32.952 -90.356 1.00 30.11 -ATOM 71 CD2 LEU D 9 3.984 32.788 -92.218 1.00 27.54 -ATOM 0 H LEU D 9 2.534 34.242 -88.193 1.00 16.78 H new -ATOM 0 HA LEU D 9 1.326 32.849 -90.512 1.00 17.87 H new -ATOM 0 1HB LEU D 9 3.814 32.107 -88.921 1.00 19.78 H new -ATOM 0 2HB LEU D 9 3.178 31.298 -90.360 1.00 19.78 H new -ATOM 0 HG LEU D 9 3.924 34.197 -90.618 1.00 24.72 H new -ATOM 0 1HD1 LEU D 9 6.278 33.576 -90.995 1.00 30.11 H new -ATOM 0 2HD1 LEU D 9 5.767 33.248 -89.305 1.00 30.11 H new -ATOM 0 3HD1 LEU D 9 5.917 31.895 -90.477 1.00 30.11 H new -ATOM 0 1HD2 LEU D 9 4.636 33.417 -92.842 1.00 27.54 H new -ATOM 0 2HD2 LEU D 9 4.232 31.729 -92.380 1.00 27.54 H new -ATOM 0 3HD2 LEU D 9 2.933 32.964 -92.493 1.00 27.54 H new -ATOM 72 N LEU D 10 0.635 30.895 -88.954 1.00 26.93 -ATOM 73 CA LEU D 10 0.079 29.899 -88.049 1.00 20.46 -ATOM 74 C LEU D 10 0.258 28.575 -88.766 1.00 20.54 -ATOM 75 O LEU D 10 -0.183 28.395 -89.895 1.00 17.14 -ATOM 76 CB LEU D 10 -1.394 30.177 -87.759 1.00 14.57 -ATOM 77 CG LEU D 10 -2.089 29.564 -86.520 1.00 24.74 -ATOM 78 CD1 LEU D 10 -3.263 28.676 -86.867 1.00 12.28 -ATOM 79 CD2 LEU D 10 -1.127 28.852 -85.585 1.00 11.73 -ATOM 0 H LEU D 10 0.509 30.679 -89.922 1.00 26.93 H new -ATOM 0 HA LEU D 10 0.582 29.907 -87.071 1.00 20.46 H new -ATOM 0 1HB LEU D 10 -1.508 31.269 -87.686 1.00 14.57 H new -ATOM 0 2HB LEU D 10 -1.964 29.852 -88.642 1.00 14.57 H new -ATOM 0 HG LEU D 10 -2.491 30.431 -85.975 1.00 24.74 H new -ATOM 0 1HD1 LEU D 10 -3.707 28.276 -85.943 1.00 12.28 H new -ATOM 0 2HD1 LEU D 10 -4.018 29.262 -87.412 1.00 12.28 H new -ATOM 0 3HD1 LEU D 10 -2.919 27.843 -87.498 1.00 12.28 H new -ATOM 0 1HD2 LEU D 10 -1.683 28.441 -84.729 1.00 11.73 H new -ATOM 0 2HD2 LEU D 10 -0.629 28.033 -86.125 1.00 11.73 H new -ATOM 0 3HD2 LEU D 10 -0.372 29.565 -85.223 1.00 11.73 H new -ATOM 80 N THR D 11 0.954 27.657 -88.122 1.00 30.50 -ATOM 81 CA THR D 11 1.259 26.375 -88.731 1.00 20.33 -ATOM 82 C THR D 11 0.404 25.307 -88.066 1.00 20.61 -ATOM 83 O THR D 11 0.340 25.240 -86.841 1.00 21.07 -ATOM 84 CB THR D 11 2.739 26.020 -88.519 1.00 20.05 -ATOM 85 OG1 THR D 11 3.556 27.099 -88.985 1.00 25.83 -ATOM 86 CG2 THR D 11 3.103 24.733 -89.259 1.00 25.77 -ATOM 0 H THR D 11 1.312 27.772 -87.195 1.00 30.50 H new -ATOM 0 HA THR D 11 1.052 26.429 -89.810 1.00 20.33 H new -ATOM 0 HB THR D 11 2.914 25.858 -87.445 1.00 20.05 H new -ATOM 0 HG1 THR D 11 4.520 26.872 -88.847 1.00 25.83 H new -ATOM 0 1HG2 THR D 11 4.165 24.501 -89.092 1.00 25.77 H new -ATOM 0 2HG2 THR D 11 2.484 23.905 -88.883 1.00 25.77 H new -ATOM 0 3HG2 THR D 11 2.922 24.865 -90.336 1.00 25.77 H new -ATOM 87 N SER D 12 -0.251 24.482 -88.873 1.00 21.28 -ATOM 88 CA SER D 12 -1.002 23.345 -88.356 1.00 24.08 -ATOM 89 C SER D 12 -0.068 22.402 -87.617 1.00 25.33 -ATOM 90 O SER D 12 1.151 22.462 -87.776 1.00 26.05 -ATOM 91 CB SER D 12 -1.681 22.589 -89.482 1.00 20.71 -ATOM 92 OG SER D 12 -0.793 21.630 -90.040 1.00 34.74 -ATOM 0 H SER D 12 -0.277 24.577 -89.868 1.00 21.28 H new -ATOM 0 HA SER D 12 -1.771 23.727 -87.668 1.00 24.08 H new -ATOM 0 1HB SER D 12 -2.008 23.293 -90.261 1.00 20.71 H new -ATOM 0 2HB SER D 12 -2.584 22.087 -89.104 1.00 20.71 H new -ATOM 0 HG SER D 12 -1.254 21.139 -90.779 1.00 34.74 H new -ATOM 93 N ARG D 13 -0.648 21.522 -86.813 1.00 23.37 -ATOM 94 CA ARG D 13 0.133 20.652 -85.932 1.00 35.84 -ATOM 95 C ARG D 13 1.142 19.743 -86.640 1.00 35.50 -ATOM 96 O ARG D 13 2.223 19.504 -86.111 1.00 36.23 -ATOM 97 CB ARG D 13 -0.786 19.820 -85.031 1.00 45.19 -ATOM 98 CG ARG D 13 -1.842 19.035 -85.786 1.00 60.71 -ATOM 99 CD ARG D 13 -2.628 18.120 -84.865 1.00 69.34 -ATOM 100 NE ARG D 13 -3.469 18.865 -83.933 1.00 72.29 -ATOM 101 CZ ARG D 13 -3.088 19.225 -82.714 1.00 68.69 -ATOM 102 NH1 ARG D 13 -1.875 18.911 -82.277 1.00 70.76 -ATOM 103 NH2 ARG D 13 -3.921 19.899 -81.934 1.00 44.54 -ATOM 0 H ARG D 13 -1.637 21.391 -86.751 1.00 23.37 H new -ATOM 0 HA ARG D 13 0.737 21.343 -85.325 1.00 35.84 H new -ATOM 0 1HB ARG D 13 -0.172 19.120 -84.445 1.00 45.19 H new -ATOM 0 2HB ARG D 13 -1.284 20.489 -84.314 1.00 45.19 H new -ATOM 0 1HG ARG D 13 -2.531 19.732 -86.286 1.00 60.71 H new -ATOM 0 2HG ARG D 13 -1.361 18.437 -86.574 1.00 60.71 H new -ATOM 0 1HD ARG D 13 -3.257 17.449 -85.468 1.00 69.34 H new -ATOM 0 2HD ARG D 13 -1.930 17.485 -84.299 1.00 69.34 H new -ATOM 0 HE ARG D 13 -4.389 19.120 -84.232 1.00 72.29 H + new -ATOM 0 1HH1 ARG D 13 -1.247 18.403 -82.867 1.00 70.76 H + new -ATOM 0 2HH1 ARG D 13 -1.589 19.183 -81.358 1.00 70.76 H + new -ATOM 0 1HH2 ARG D 13 -4.835 20.135 -82.264 1.00 44.54 H + new -ATOM 0 2HH2 ARG D 13 -3.636 20.171 -81.015 1.00 44.54 H + new -ATOM 104 N ASP D 14 0.807 19.232 -87.822 1.00 39.11 -ATOM 105 CA ASP D 14 1.747 18.348 -88.510 1.00 35.94 -ATOM 106 C ASP D 14 2.787 19.125 -89.301 1.00 39.28 -ATOM 107 O ASP D 14 3.882 18.629 -89.547 1.00 53.74 -ATOM 108 CB ASP D 14 1.035 17.300 -89.374 1.00 31.82 -ATOM 109 CG ASP D 14 0.205 17.907 -90.482 1.00 45.35 -ATOM 110 OD1 ASP D 14 0.479 19.055 -90.885 1.00 36.38 -ATOM 111 OD2 ASP D 14 -0.723 17.215 -90.956 1.00 55.76 -ATOM 0 H ASP D 14 -0.055 19.401 -88.300 1.00 39.11 H new -ATOM 0 HA ASP D 14 2.287 17.796 -87.727 1.00 35.94 H new -ATOM 0 1HB ASP D 14 1.785 16.626 -89.814 1.00 31.82 H new -ATOM 0 2HB ASP D 14 0.386 16.685 -88.733 1.00 31.82 H new -ATOM 112 N GLY D 15 2.449 20.354 -89.677 1.00 45.32 -ATOM 113 CA GLY D 15 3.388 21.228 -90.362 1.00 34.43 -ATOM 114 C GLY D 15 3.056 21.445 -91.822 1.00 28.14 -ATOM 115 O GLY D 15 3.702 22.240 -92.495 1.00 31.40 -ATOM 0 H GLY D 15 1.548 20.758 -89.521 1.00 45.32 H new -ATOM 0 1HA GLY D 15 3.410 22.202 -89.851 1.00 34.43 H new -ATOM 0 2HA GLY D 15 4.398 20.800 -90.284 1.00 34.43 H new -ATOM 116 N SER D 16 2.037 20.745 -92.304 1.00 31.31 -ATOM 117 CA SER D 16 1.711 20.739 -93.719 1.00 30.49 -ATOM 118 C SER D 16 0.798 21.886 -94.116 1.00 31.41 -ATOM 119 O SER D 16 0.600 22.146 -95.293 1.00 37.35 -ATOM 120 CB SER D 16 1.059 19.412 -94.094 1.00 35.88 -ATOM 121 OG SER D 16 -0.209 19.276 -93.476 1.00 43.83 -ATOM 0 H SER D 16 1.432 20.183 -91.740 1.00 31.31 H new -ATOM 0 HA SER D 16 2.655 20.869 -94.268 1.00 30.49 H new -ATOM 0 1HB SER D 16 1.711 18.580 -93.789 1.00 35.88 H new -ATOM 0 2HB SER D 16 0.947 19.350 -95.187 1.00 35.88 H new -ATOM 0 HG SER D 16 -0.121 19.443 -92.494 1.00 43.83 H new -ATOM 122 N LEU D 17 0.216 22.555 -93.133 1.00 34.21 -ATOM 123 CA LEU D 17 -0.630 23.705 -93.413 1.00 27.99 -ATOM 124 C LEU D 17 -0.059 24.942 -92.746 1.00 28.27 -ATOM 125 O LEU D 17 0.245 24.933 -91.556 1.00 29.88 -ATOM 126 CB LEU D 17 -2.057 23.462 -92.921 1.00 36.79 -ATOM 127 CG LEU D 17 -3.138 23.186 -93.960 1.00 38.27 -ATOM 128 CD1 LEU D 17 -4.389 22.674 -93.282 1.00 49.22 -ATOM 129 CD2 LEU D 17 -3.441 24.455 -94.730 1.00 51.33 -ATOM 0 H LEU D 17 0.310 22.330 -92.163 1.00 34.21 H new -ATOM 0 HA LEU D 17 -0.658 23.858 -94.502 1.00 27.99 H new -ATOM 0 1HB LEU D 17 -2.033 22.610 -92.226 1.00 36.79 H new -ATOM 0 2HB LEU D 17 -2.367 24.343 -92.339 1.00 36.79 H new -ATOM 0 HG LEU D 17 -2.779 22.419 -94.661 1.00 38.27 H new -ATOM 0 1HD1 LEU D 17 -5.163 22.478 -94.039 1.00 49.22 H new -ATOM 0 2HD1 LEU D 17 -4.160 21.743 -92.743 1.00 49.22 H new -ATOM 0 3HD1 LEU D 17 -4.756 23.428 -92.570 1.00 49.22 H new -ATOM 0 1HD2 LEU D 17 -4.221 24.253 -95.479 1.00 51.33 H new -ATOM 0 2HD2 LEU D 17 -3.793 25.231 -94.035 1.00 51.33 H new -ATOM 0 3HD2 LEU D 17 -2.529 24.804 -95.237 1.00 51.33 H new -ATOM 130 N VAL D 18 0.093 26.003 -93.523 1.00 25.94 -ATOM 131 CA VAL D 18 0.548 27.271 -92.985 1.00 23.27 -ATOM 132 C VAL D 18 -0.418 28.355 -93.408 1.00 23.32 -ATOM 133 O VAL D 18 -0.837 28.405 -94.556 1.00 23.47 -ATOM 134 CB VAL D 18 1.986 27.615 -93.450 1.00 28.39 -ATOM 135 CG1 VAL D 18 2.298 29.061 -93.166 1.00 26.21 -ATOM 136 CG2 VAL D 18 2.991 26.709 -92.758 1.00 23.56 -ATOM 0 H VAL D 18 -0.089 26.009 -94.506 1.00 25.94 H new -ATOM 0 HA VAL D 18 0.576 27.196 -91.888 1.00 23.27 H new -ATOM 0 HB VAL D 18 2.054 27.452 -94.536 1.00 28.39 H new -ATOM 0 1HG1 VAL D 18 3.321 29.289 -93.501 1.00 26.21 H new -ATOM 0 2HG1 VAL D 18 1.585 29.703 -93.704 1.00 26.21 H new -ATOM 0 3HG1 VAL D 18 2.217 29.249 -92.085 1.00 26.21 H new -ATOM 0 1HG2 VAL D 18 4.007 26.962 -93.096 1.00 23.56 H new -ATOM 0 2HG2 VAL D 18 2.922 26.848 -91.669 1.00 23.56 H new -ATOM 0 3HG2 VAL D 18 2.773 25.660 -93.008 1.00 23.56 H new -ATOM 137 N PHE D 19 -0.793 29.204 -92.461 1.00 29.23 -ATOM 138 CA PHE D 19 -1.671 30.324 -92.741 1.00 18.85 -ATOM 139 C PHE D 19 -0.928 31.623 -92.501 1.00 21.03 -ATOM 140 O PHE D 19 -0.095 31.708 -91.596 1.00 22.19 -ATOM 141 CB PHE D 19 -2.897 30.272 -91.849 1.00 27.61 -ATOM 142 CG PHE D 19 -3.762 29.071 -92.070 1.00 26.02 -ATOM 143 CD1 PHE D 19 -3.690 27.989 -91.218 1.00 20.63 -ATOM 144 CD2 PHE D 19 -4.674 29.037 -93.110 1.00 32.45 -ATOM 145 CE1 PHE D 19 -4.496 26.892 -91.410 1.00 23.87 -ATOM 146 CE2 PHE D 19 -5.487 27.936 -93.301 1.00 16.64 -ATOM 147 CZ PHE D 19 -5.393 26.869 -92.456 1.00 15.79 -ATOM 0 H PHE D 19 -0.504 29.136 -91.506 1.00 29.23 H new -ATOM 0 HA PHE D 19 -1.992 30.267 -93.791 1.00 18.85 H new -ATOM 0 1HB PHE D 19 -2.573 30.289 -90.798 1.00 27.61 H new -ATOM 0 2HB PHE D 19 -3.497 31.179 -92.016 1.00 27.61 H new -ATOM 0 HD1 PHE D 19 -2.981 28.004 -90.377 1.00 20.63 H new -ATOM 0 HD2 PHE D 19 -4.753 29.896 -93.792 1.00 32.45 H new -ATOM 0 HE1 PHE D 19 -4.425 26.032 -90.728 1.00 23.87 H new -ATOM 0 HE2 PHE D 19 -6.208 27.920 -94.132 1.00 16.64 H new -ATOM 0 HZ PHE D 19 -6.034 25.989 -92.610 1.00 15.79 H new -ATOM 148 N ALA D 20 -1.229 32.631 -93.315 1.00 25.02 -ATOM 149 CA ALA D 20 -0.561 33.920 -93.217 1.00 21.10 -ATOM 150 C ALA D 20 -1.558 35.043 -93.309 1.00 20.37 -ATOM 151 O ALA D 20 -2.494 34.994 -94.100 1.00 20.06 -ATOM 152 CB ALA D 20 0.484 34.067 -94.301 1.00 19.56 -ATOM 0 H ALA D 20 -1.920 32.578 -94.036 1.00 25.02 H new -ATOM 0 HA ALA D 20 -0.062 33.969 -92.238 1.00 21.10 H new -ATOM 0 1HB ALA D 20 0.975 35.047 -94.207 1.00 19.56 H new -ATOM 0 2HB ALA D 20 1.235 33.270 -94.198 1.00 19.56 H new -ATOM 0 3HB ALA D 20 0.003 33.991 -95.287 1.00 19.56 H new -ATOM 153 N ILE D 21 -1.348 36.059 -92.488 1.00 18.02 -ATOM 154 CA ILE D 21 -2.116 37.275 -92.593 1.00 23.70 -ATOM 155 C ILE D 21 -1.351 38.292 -93.431 1.00 16.39 -ATOM 156 O ILE D 21 -0.181 38.553 -93.183 1.00 16.01 -ATOM 157 CB ILE D 21 -2.409 37.877 -91.209 1.00 22.80 -ATOM 158 CG1 ILE D 21 -3.359 36.967 -90.416 1.00 24.20 -ATOM 159 CG2 ILE D 21 -2.977 39.279 -91.365 1.00 15.71 -ATOM 160 CD1 ILE D 21 -3.551 37.383 -88.941 1.00 15.77 -ATOM 0 H ILE D 21 -0.664 36.060 -91.758 1.00 18.02 H new -ATOM 0 HA ILE D 21 -3.075 37.030 -93.073 1.00 23.70 H new -ATOM 0 HB ILE D 21 -1.471 37.950 -90.639 1.00 22.80 H new -ATOM 0 1HG1 ILE D 21 -4.340 36.958 -90.913 1.00 24.20 H new -ATOM 0 2HG1 ILE D 21 -2.973 35.937 -90.447 1.00 24.20 H new -ATOM 0 1HG2 ILE D 21 -3.184 39.704 -90.372 1.00 15.71 H new -ATOM 0 2HG2 ILE D 21 -2.248 39.914 -91.890 1.00 15.71 H new -ATOM 0 3HG2 ILE D 21 -3.910 39.235 -91.946 1.00 15.71 H new -ATOM 0 1HD1 ILE D 21 -4.242 36.683 -88.449 1.00 15.77 H new -ATOM 0 2HD1 ILE D 21 -2.580 37.363 -88.425 1.00 15.77 H new -ATOM 0 3HD1 ILE D 21 -3.968 38.400 -88.898 1.00 15.77 H new -ATOM 161 N ILE D 22 -2.019 38.862 -94.424 1.00 17.04 -ATOM 162 CA ILE D 22 -1.492 40.019 -95.135 1.00 27.42 -ATOM 163 C ILE D 22 -2.612 41.015 -95.254 1.00 20.96 -ATOM 164 O ILE D 22 -3.611 40.735 -95.905 1.00 19.04 -ATOM 165 CB ILE D 22 -1.058 39.695 -96.580 1.00 24.74 -ATOM 166 CG1 ILE D 22 -0.978 38.196 -96.796 1.00 18.80 -ATOM 167 CG2 ILE D 22 0.215 40.423 -96.940 1.00 24.74 -ATOM 168 CD1 ILE D 22 -2.311 37.620 -97.162 1.00 31.18 -ATOM 0 H ILE D 22 -2.911 38.548 -94.750 1.00 17.04 H new -ATOM 0 HA ILE D 22 -0.617 40.381 -94.576 1.00 27.42 H new -ATOM 0 HB ILE D 22 -1.826 40.065 -97.275 1.00 24.74 H new -ATOM 0 1HG1 ILE D 22 -0.252 37.977 -97.593 1.00 18.80 H new -ATOM 0 2HG1 ILE D 22 -0.607 37.712 -95.881 1.00 18.80 H new -ATOM 0 1HG2 ILE D 22 0.501 40.174 -97.973 1.00 24.74 H new -ATOM 0 2HG2 ILE D 22 0.054 41.508 -96.856 1.00 24.74 H new -ATOM 0 3HG2 ILE D 22 1.019 40.118 -96.254 1.00 24.74 H new -ATOM 0 1HD1 ILE D 22 -2.214 36.534 -97.310 1.00 31.18 H new -ATOM 0 2HD1 ILE D 22 -3.030 37.816 -96.353 1.00 31.18 H new -ATOM 0 3HD1 ILE D 22 -2.670 38.086 -98.092 1.00 31.18 H new -ATOM 169 N LYS D 23 -2.438 42.181 -94.648 1.00 18.81 -ATOM 170 CA LYS D 23 -3.455 43.208 -94.726 1.00 37.29 -ATOM 171 C LYS D 23 -4.760 42.560 -94.280 1.00 31.88 -ATOM 172 O LYS D 23 -4.817 41.923 -93.229 1.00 31.83 -ATOM 173 CB LYS D 23 -3.568 43.735 -96.157 1.00 29.56 -ATOM 174 CG LYS D 23 -3.949 45.199 -96.281 1.00 42.31 -ATOM 175 CD LYS D 23 -3.972 45.616 -97.750 1.00 54.06 -ATOM 176 CE LYS D 23 -4.262 47.101 -97.926 1.00 50.52 -ATOM 177 NZ LYS D 23 -4.225 47.510 -99.360 1.00 49.78 -ATOM 0 H LYS D 23 -1.628 42.428 -94.116 1.00 18.81 H new -ATOM 0 HA LYS D 23 -3.207 44.067 -94.085 1.00 37.29 H new -ATOM 0 1HB LYS D 23 -2.604 43.580 -96.664 1.00 29.56 H new -ATOM 0 2HB LYS D 23 -4.315 43.132 -96.694 1.00 29.56 H new -ATOM 0 1HG LYS D 23 -4.937 45.368 -95.828 1.00 42.31 H new -ATOM 0 2HG LYS D 23 -3.231 45.821 -95.727 1.00 42.31 H new -ATOM 0 1HD LYS D 23 -3.003 45.377 -98.212 1.00 54.06 H new -ATOM 0 2HD LYS D 23 -4.735 45.030 -98.283 1.00 54.06 H new -ATOM 0 1HE LYS D 23 -5.251 47.333 -97.504 1.00 50.52 H new -ATOM 0 2HE LYS D 23 -3.525 47.688 -97.359 1.00 50.52 H new -ATOM 0 1HZ LYS D 23 -3.629 48.306 -99.465 1.00 49.78 H + new -ATOM 0 2HZ LYS D 23 -3.873 46.755 -99.913 1.00 49.78 H + new -ATOM 0 3HZ LYS D 23 -5.149 47.743 -99.665 1.00 49.78 H + new -ATOM 178 N ASN D 24 -5.797 42.691 -95.090 1.00 30.80 -ATOM 179 CA ASN D 24 -7.093 42.156 -94.719 1.00 28.37 -ATOM 180 C ASN D 24 -7.321 40.766 -95.295 1.00 23.83 -ATOM 181 O ASN D 24 -8.451 40.378 -95.551 1.00 25.68 -ATOM 182 CB ASN D 24 -8.197 43.096 -95.189 1.00 35.66 -ATOM 183 CG ASN D 24 -8.256 43.211 -96.703 1.00 45.28 -ATOM 184 OD1 ASN D 24 -7.271 43.563 -97.348 1.00 32.58 -ATOM 185 ND2 ASN D 24 -9.413 42.904 -97.276 1.00 45.69 -ATOM 0 H ASN D 24 -5.768 43.148 -95.979 1.00 30.80 H new -ATOM 0 HA ASN D 24 -7.116 42.072 -93.622 1.00 28.37 H new -ATOM 0 1HB ASN D 24 -9.166 42.735 -94.814 1.00 35.66 H new -ATOM 0 2HB ASN D 24 -8.035 44.093 -94.755 1.00 35.66 H new -ATOM 0 1HD2 ASN D 24 -9.508 42.955 -98.270 1.00 45.69 H new -ATOM 0 2HD2 ASN D 24 -10.190 42.622 -96.714 1.00 45.69 H new -ATOM 186 N CYS D 25 -6.249 40.013 -95.504 1.00 28.61 -ATOM 187 CA CYS D 25 -6.372 38.705 -96.145 1.00 28.11 -ATOM 188 C CYS D 25 -5.660 37.601 -95.402 1.00 23.30 -ATOM 189 O CYS D 25 -4.687 37.838 -94.697 1.00 24.70 -ATOM 190 CB CYS D 25 -5.819 38.742 -97.570 1.00 28.27 -ATOM 191 SG CYS D 25 -6.671 39.865 -98.672 1.00 39.77 -ATOM 0 H CYS D 25 -5.317 40.272 -95.250 1.00 28.61 H new -ATOM 0 HA CYS D 25 -7.450 38.485 -96.144 1.00 28.11 H new -ATOM 0 1HB CYS D 25 -4.757 39.025 -97.529 1.00 28.27 H new -ATOM 0 2HB CYS D 25 -5.866 37.728 -97.994 1.00 28.27 H new -ATOM 0 HG CYS D 25 -6.057 39.898 -99.817 1.00 39.77 H new -ATOM 192 N ILE D 26 -6.151 36.387 -95.594 1.00 22.75 -ATOM 193 CA ILE D 26 -5.494 35.190 -95.099 1.00 23.42 -ATOM 194 C ILE D 26 -5.121 34.316 -96.297 1.00 26.55 -ATOM 195 O ILE D 26 -5.963 34.007 -97.134 1.00 23.77 -ATOM 196 CB ILE D 26 -6.429 34.399 -94.147 1.00 16.38 -ATOM 197 CG1 ILE D 26 -6.881 35.289 -92.985 1.00 31.68 -ATOM 198 CG2 ILE D 26 -5.746 33.156 -93.621 1.00 19.92 -ATOM 199 CD1 ILE D 26 -7.980 34.689 -92.149 1.00 24.20 -ATOM 0 H ILE D 26 -7.001 36.208 -96.089 1.00 22.75 H new -ATOM 0 HA ILE D 26 -4.595 35.475 -94.533 1.00 23.42 H new -ATOM 0 HB ILE D 26 -7.314 34.085 -94.721 1.00 16.38 H new -ATOM 0 1HG1 ILE D 26 -6.016 35.499 -92.339 1.00 31.68 H new -ATOM 0 2HG1 ILE D 26 -7.225 36.254 -93.387 1.00 31.68 H new -ATOM 0 1HG2 ILE D 26 -6.431 32.617 -92.950 1.00 19.92 H new -ATOM 0 2HG2 ILE D 26 -5.470 32.505 -94.463 1.00 19.92 H new -ATOM 0 3HG2 ILE D 26 -4.840 33.442 -93.066 1.00 19.92 H new -ATOM 0 1HD1 ILE D 26 -8.247 35.385 -91.340 1.00 24.20 H new -ATOM 0 2HD1 ILE D 26 -8.862 34.505 -92.780 1.00 24.20 H new -ATOM 0 3HD1 ILE D 26 -7.635 33.739 -91.716 1.00 24.20 H new -ATOM 200 N LEU D 27 -3.854 33.936 -96.388 1.00 20.60 -ATOM 201 CA LEU D 27 -3.409 33.021 -97.425 1.00 22.77 -ATOM 202 C LEU D 27 -3.105 31.687 -96.789 1.00 25.17 -ATOM 203 O LEU D 27 -2.506 31.630 -95.725 1.00 28.01 -ATOM 204 CB LEU D 27 -2.134 33.531 -98.089 1.00 25.88 -ATOM 205 CG LEU D 27 -2.154 34.941 -98.654 1.00 24.10 -ATOM 206 CD1 LEU D 27 -0.755 35.325 -99.117 1.00 26.65 -ATOM 207 CD2 LEU D 27 -3.165 35.044 -99.770 1.00 24.94 -ATOM 0 H LEU D 27 -3.132 34.242 -95.768 1.00 20.60 H new -ATOM 0 HA LEU D 27 -4.201 32.934 -98.183 1.00 22.77 H new -ATOM 0 1HB LEU D 27 -1.320 33.472 -97.351 1.00 25.88 H new -ATOM 0 2HB LEU D 27 -1.878 32.841 -98.907 1.00 25.88 H new -ATOM 0 HG LEU D 27 -2.460 35.650 -97.871 1.00 24.10 H new -ATOM 0 1HD1 LEU D 27 -0.771 36.346 -99.526 1.00 26.65 H new -ATOM 0 2HD1 LEU D 27 -0.061 35.283 -98.264 1.00 26.65 H new -ATOM 0 3HD1 LEU D 27 -0.421 34.624 -99.896 1.00 26.65 H new -ATOM 0 1HD2 LEU D 27 -3.168 36.069-100.169 1.00 24.94 H new -ATOM 0 2HD2 LEU D 27 -2.899 34.340-100.572 1.00 24.94 H new -ATOM 0 3HD2 LEU D 27 -4.165 34.798 -99.383 1.00 24.94 H new -ATOM 208 N SER D 28 -3.505 30.607 -97.441 1.00 31.03 -ATOM 209 CA SER D 28 -3.122 29.289 -96.972 1.00 34.03 -ATOM 210 C SER D 28 -2.130 28.686 -97.950 1.00 32.96 -ATOM 211 O SER D 28 -2.229 28.891 -99.151 1.00 32.78 -ATOM 212 CB SER D 28 -4.343 28.386 -96.816 1.00 39.11 -ATOM 213 OG SER D 28 -5.361 29.049 -96.099 1.00 34.03 -ATOM 0 H SER D 28 -4.073 30.616 -98.264 1.00 31.03 H new -ATOM 0 HA SER D 28 -2.652 29.381 -95.982 1.00 34.03 H new -ATOM 0 1HB SER D 28 -4.059 27.462 -96.291 1.00 39.11 H new -ATOM 0 2HB SER D 28 -4.717 28.091 -97.807 1.00 39.11 H new -ATOM 0 HG SER D 28 -5.225 28.908 -95.118 1.00 34.03 H new -ATOM 214 N PHE D 29 -1.163 27.958 -97.413 1.00 32.24 -ATOM 215 CA PHE D 29 -0.171 27.259 -98.208 1.00 23.05 -ATOM 216 C PHE D 29 -0.045 25.856 -97.643 1.00 34.43 -ATOM 217 O PHE D 29 -0.132 25.664 -96.428 1.00 26.62 -ATOM 218 CB PHE D 29 1.177 27.952 -98.100 1.00 19.18 -ATOM 219 CG PHE D 29 1.198 29.332 -98.680 1.00 33.42 -ATOM 220 CD1 PHE D 29 0.827 30.427 -97.916 1.00 20.90 -ATOM 221 CD2 PHE D 29 1.604 29.539 -99.989 1.00 29.00 -ATOM 222 CE1 PHE D 29 0.852 31.690 -98.446 1.00 26.22 -ATOM 223 CE2 PHE D 29 1.629 30.801-100.525 1.00 21.62 -ATOM 224 CZ PHE D 29 1.258 31.880 -99.756 1.00 31.30 -ATOM 0 H PHE D 29 -1.048 27.839 -96.427 1.00 32.24 H new -ATOM 0 HA PHE D 29 -0.476 27.245 -99.265 1.00 23.05 H new -ATOM 0 1HB PHE D 29 1.466 28.006 -97.040 1.00 19.18 H new -ATOM 0 2HB PHE D 29 1.935 27.339 -98.610 1.00 19.18 H new -ATOM 0 HD1 PHE D 29 0.509 30.281 -96.873 1.00 20.90 H new -ATOM 0 HD2 PHE D 29 1.910 28.681-100.605 1.00 29.00 H new -ATOM 0 HE1 PHE D 29 0.550 32.551 -97.832 1.00 26.22 H new -ATOM 0 HE2 PHE D 29 1.945 30.950-101.568 1.00 21.62 H new -ATOM 0 HZ PHE D 29 1.284 32.894-100.182 1.00 31.30 H new -ATOM 225 N LYS D 30 0.147 24.875 -98.519 1.00 33.98 -ATOM 226 CA LYS D 30 0.388 23.512 -98.072 1.00 29.33 -ATOM 227 C LYS D 30 1.879 23.258 -98.196 1.00 28.36 -ATOM 228 O LYS D 30 2.536 23.840 -99.054 1.00 29.63 -ATOM 229 CB LYS D 30 -0.419 22.516 -98.896 1.00 25.62 -ATOM 230 CG LYS D 30 -1.801 23.030 -99.252 1.00 29.85 -ATOM 231 CD LYS D 30 -2.703 21.924 -99.764 1.00 44.27 -ATOM 232 CE LYS D 30 -4.042 22.479-100.231 1.00 54.23 -ATOM 233 NZ LYS D 30 -5.059 21.404-100.386 1.00 48.49 -ATOM 0 H LYS D 30 0.140 24.996 -99.512 1.00 33.98 H new -ATOM 0 HA LYS D 30 0.066 23.382 -97.028 1.00 29.33 H new -ATOM 0 1HB LYS D 30 0.130 22.283 -99.820 1.00 25.62 H new -ATOM 0 2HB LYS D 30 -0.516 21.576 -98.334 1.00 25.62 H new -ATOM 0 1HG LYS D 30 -2.258 23.494 -98.366 1.00 29.85 H new -ATOM 0 2HG LYS D 30 -1.714 23.815-100.018 1.00 29.85 H new -ATOM 0 1HD LYS D 30 -2.210 21.400-100.596 1.00 44.27 H new -ATOM 0 2HD LYS D 30 -2.867 21.182 -98.968 1.00 44.27 H new -ATOM 0 1HE LYS D 30 -4.403 23.225 -99.507 1.00 54.23 H new -ATOM 0 2HE LYS D 30 -3.909 23.000-101.191 1.00 54.23 H new -ATOM 0 1HZ LYS D 30 -5.956 21.814-100.549 1.00 48.49 H + new -ATOM 0 2HZ LYS D 30 -4.813 20.821-101.161 1.00 48.49 H + new -ATOM 0 3HZ LYS D 30 -5.092 20.853 -99.552 1.00 48.49 H + new -ATOM 234 N TYR D 31 2.421 22.411 -97.330 1.00 18.73 -ATOM 235 CA TYR D 31 3.861 22.222 -97.272 1.00 26.75 -ATOM 236 C TYR D 31 4.247 20.753 -97.224 1.00 42.29 -ATOM 237 O TYR D 31 3.649 19.966 -96.490 1.00 43.24 -ATOM 238 CB TYR D 31 4.464 22.952 -96.071 1.00 19.91 -ATOM 239 CG TYR D 31 5.960 22.791 -95.957 1.00 25.03 -ATOM 240 CD1 TYR D 31 6.823 23.512 -96.780 1.00 36.78 -ATOM 241 CD2 TYR D 31 6.514 21.912 -95.039 1.00 22.54 -ATOM 242 CE1 TYR D 31 8.200 23.360 -96.686 1.00 31.80 -ATOM 243 CE2 TYR D 31 7.883 21.759 -94.930 1.00 32.74 -ATOM 244 CZ TYR D 31 8.722 22.483 -95.759 1.00 42.22 -ATOM 245 OH TYR D 31 10.087 22.327 -95.663 1.00 34.55 -ATOM 0 H TYR D 31 1.900 21.861 -96.678 1.00 18.73 H new -ATOM 0 HA TYR D 31 4.270 22.651 -98.199 1.00 26.75 H new -ATOM 0 1HB TYR D 31 4.223 24.023 -96.144 1.00 19.91 H new -ATOM 0 2HB TYR D 31 3.992 22.578 -95.150 1.00 19.91 H new -ATOM 0 HD1 TYR D 31 6.406 24.214 -97.517 1.00 36.78 H new -ATOM 0 HD2 TYR D 31 5.852 21.326 -94.385 1.00 22.54 H new -ATOM 0 HE1 TYR D 31 8.868 23.934 -97.345 1.00 31.80 H new -ATOM 0 HE2 TYR D 31 8.304 21.065 -94.188 1.00 32.74 H new -ATOM 0 HH TYR D 31 10.334 22.122 -94.716 1.00 34.55 H new -ATOM 246 N GLN D 32 5.237 20.389 -98.035 1.00 46.25 -ATOM 247 CA GLN D 32 5.889 19.087 -97.937 1.00 56.61 -ATOM 248 C GLN D 32 7.378 19.304 -98.113 1.00 49.98 -ATOM 249 O GLN D 32 7.799 19.993 -99.037 1.00 56.97 -ATOM 250 CB GLN D 32 5.369 18.116 -98.999 1.00 52.65 -ATOM 251 CG GLN D 32 3.960 17.610 -98.747 1.00 67.98 -ATOM 252 CD GLN D 32 3.529 16.557 -99.748 1.00 88.65 -ATOM 253 OE1 GLN D 32 4.451 15.672-100.113 1.00 95.23 flip -ATOM 254 NE2 GLN D 32 2.379 16.539-100.191 1.00 99.07 flip -ATOM 0 H GLN D 32 5.601 20.973 -98.760 1.00 46.25 H new -ATOM 0 HA GLN D 32 5.670 18.639 -96.957 1.00 56.61 H new -ATOM 0 1HB GLN D 32 5.397 18.614 -99.979 1.00 52.65 H new -ATOM 0 2HB GLN D 32 6.051 17.254 -99.056 1.00 52.65 H new -ATOM 0 1HG GLN D 32 3.902 17.191 -97.732 1.00 67.98 H new -ATOM 0 2HG GLN D 32 3.258 18.456 -98.786 1.00 67.98 H new -ATOM 0 1HE2 GLN D 32 2.109 15.839-100.852 1.00 99.07 H new -ATOM 0 2HE2 GLN D 32 1.716 17.224 -99.889 1.00 99.07 H new -ATOM 255 N SER D 33 8.188 18.740 -97.227 1.00 54.03 -ATOM 256 CA SER D 33 9.628 18.894 -97.386 1.00 63.81 -ATOM 257 C SER D 33 10.149 17.975 -98.474 1.00 71.00 -ATOM 258 O SER D 33 9.451 17.066 -98.921 1.00 76.98 -ATOM 259 CB SER D 33 10.383 18.629 -96.086 1.00 68.41 -ATOM 260 OG SER D 33 10.374 19.744 -95.216 1.00 77.68 -ATOM 0 H SER D 33 7.895 18.203 -96.436 1.00 54.03 H new -ATOM 0 HA SER D 33 9.806 19.941 -97.674 1.00 63.81 H new -ATOM 0 1HB SER D 33 11.423 18.359 -96.319 1.00 68.41 H new -ATOM 0 2HB SER D 33 9.933 17.765 -95.574 1.00 68.41 H new -ATOM 0 HG SER D 33 10.112 20.563 -95.726 1.00 77.68 H new -ATOM 261 N PRO D 34 11.385 18.225 -98.908 1.00 75.46 -ATOM 262 CA PRO D 34 12.075 19.418 -98.413 1.00 62.87 -ATOM 263 C PRO D 34 11.740 20.656 -99.237 1.00 59.47 -ATOM 264 O PRO D 34 12.188 20.796-100.375 1.00 63.67 -ATOM 265 CB PRO D 34 13.560 19.061 -98.567 1.00 73.97 -ATOM 266 CG PRO D 34 13.595 17.572 -98.832 1.00 80.72 -ATOM 267 CD PRO D 34 12.314 17.278 -99.542 1.00 81.42 -ATOM 0 HA PRO D 34 11.784 19.666 -97.382 1.00 62.87 H new -ATOM 0 1HB PRO D 34 14.018 19.621 -99.396 1.00 73.97 H new -ATOM 0 2HB PRO D 34 14.124 19.314 -97.657 1.00 73.97 H new -ATOM 0 1HG PRO D 34 14.464 17.297 -99.447 1.00 80.72 H new -ATOM 0 2HG PRO D 34 13.671 17.002 -97.894 1.00 80.72 H new -ATOM 0 1HD PRO D 34 12.397 17.446-100.626 1.00 81.42 H new -ATOM 0 2HD PRO D 34 11.996 16.234 -99.402 1.00 81.42 H new -ATOM 268 N ASN D 35 10.929 21.532 -98.660 1.00 53.57 -ATOM 269 CA ASN D 35 10.765 22.898 -99.154 1.00 39.82 -ATOM 270 C ASN D 35 9.784 23.091-100.310 1.00 40.76 -ATOM 271 O ASN D 35 9.959 23.991-101.124 1.00 45.02 -ATOM 272 CB ASN D 35 12.122 23.512 -99.497 1.00 29.98 -ATOM 273 CG ASN D 35 13.168 23.258 -98.421 1.00 48.16 -ATOM 274 OD1 ASN D 35 14.358 23.136 -98.712 1.00 55.92 -ATOM 275 ND2 ASN D 35 12.725 23.161 -97.174 1.00 54.25 -ATOM 0 H ASN D 35 10.376 21.323 -97.853 1.00 53.57 H new -ATOM 0 HA ASN D 35 10.296 23.430 -98.313 1.00 39.82 H new -ATOM 0 1HB ASN D 35 12.476 23.098-100.453 1.00 29.98 H new -ATOM 0 2HB ASN D 35 12.004 24.596 -99.640 1.00 29.98 H new -ATOM 0 1HD2 ASN D 35 13.366 22.982 -96.428 1.00 54.25 H new -ATOM 0 2HD2 ASN D 35 11.750 23.267 -96.980 1.00 54.25 H new -ATOM 276 N HIS D 36 8.739 22.272-100.365 1.00 38.26 -ATOM 277 CA HIS D 36 7.710 22.431-101.390 1.00 43.55 -ATOM 278 C HIS D 36 6.499 23.190-100.853 1.00 44.10 -ATOM 279 O HIS D 36 5.811 22.727 -99.937 1.00 50.00 -ATOM 280 CB HIS D 36 7.259 21.073-101.933 1.00 57.43 -ATOM 281 CG HIS D 36 8.386 20.129-102.216 1.00 78.06 -ATOM 282 ND1 HIS D 36 8.942 19.149-101.463 1.00 75.61 flip -ATOM 283 CD2 HIS D 36 9.073 20.131-103.410 1.00 76.01 flip -ATOM 284 CE1 HIS D 36 9.948 18.585-102.209 1.00 82.45 flip -ATOM 285 NE2 HIS D 36 10.006 19.196-103.380 1.00 80.69 flip -ATOM 0 H HIS D 36 8.584 21.513 -99.732 1.00 38.26 H new -ATOM 0 HA HIS D 36 8.159 23.015-102.207 1.00 43.55 H new -ATOM 0 1HB HIS D 36 6.577 20.607-101.207 1.00 57.43 H new -ATOM 0 2HB HIS D 36 6.685 21.231-102.858 1.00 57.43 H new -ATOM 0 HD1 HIS D 36 8.671 18.886-100.537 1.00 75.61 H new -ATOM 0 HD2 HIS D 36 8.876 20.806-104.256 1.00 76.01 H new -ATOM 0 HE1 HIS D 36 10.599 17.760-101.885 1.00 82.45 H new -ATOM 286 N TRP D 37 6.238 24.348-101.445 1.00 34.58 -ATOM 287 CA TRP D 37 5.148 25.201-101.027 1.00 24.00 -ATOM 288 C TRP D 37 4.088 25.299-102.120 1.00 35.49 -ATOM 289 O TRP D 37 4.377 25.721-103.235 1.00 51.02 -ATOM 290 CB TRP D 37 5.679 26.596-100.696 1.00 31.35 -ATOM 291 CG TRP D 37 6.584 26.680 -99.488 1.00 33.53 -ATOM 292 CD1 TRP D 37 7.946 26.723 -99.488 1.00 32.27 -ATOM 293 CD2 TRP D 37 6.184 26.762 -98.112 1.00 35.07 -ATOM 294 NE1 TRP D 37 8.421 26.814 -98.202 1.00 32.38 -ATOM 295 CE2 TRP D 37 7.358 26.840 -97.338 1.00 33.90 -ATOM 296 CE3 TRP D 37 4.950 26.771 -97.462 1.00 24.24 -ATOM 297 CZ2 TRP D 37 7.332 26.928 -95.952 1.00 23.09 -ATOM 298 CZ3 TRP D 37 4.929 26.857 -96.090 1.00 26.00 -ATOM 299 CH2 TRP D 37 6.111 26.933 -95.349 1.00 26.82 -ATOM 0 H TRP D 37 6.768 24.710-102.212 1.00 34.58 H new -ATOM 0 HA TRP D 37 4.686 24.762-100.131 1.00 24.00 H new -ATOM 0 1HB TRP D 37 6.228 26.977-101.570 1.00 31.35 H new -ATOM 0 2HB TRP D 37 4.822 27.267-100.537 1.00 31.35 H new -ATOM 0 HD1 TRP D 37 8.576 26.690-100.389 1.00 32.27 H new -ATOM 0 HE1 TRP D 37 9.385 26.855 -97.940 1.00 32.38 H new -ATOM 0 HE3 TRP D 37 4.013 26.711 -98.035 1.00 24.24 H new -ATOM 0 HZ2 TRP D 37 8.260 26.991 -95.365 1.00 23.09 H new -ATOM 0 HZ3 TRP D 37 3.962 26.866 -95.565 1.00 26.00 H new -ATOM 0 HH2 TRP D 37 6.054 26.998 -94.252 1.00 26.82 H new -ATOM 300 N GLU D 38 2.859 24.919-101.792 1.00 41.16 -ATOM 301 CA GLU D 38 1.735 25.012-102.723 1.00 39.99 -ATOM 302 C GLU D 38 0.662 25.980-102.221 1.00 42.29 -ATOM 303 O GLU D 38 0.144 25.823-101.110 1.00 42.60 -ATOM 304 CB GLU D 38 1.119 23.629-102.934 1.00 37.83 -ATOM 305 CG GLU D 38 -0.213 23.627-103.679 1.00 54.31 -ATOM 306 CD GLU D 38 -0.885 22.253-103.686 1.00 79.18 -ATOM 307 OE1 GLU D 38 -0.285 21.282-103.170 1.00 62.39 -ATOM 308 OE2 GLU D 38 -2.016 22.145-104.208 1.00 94.40 -ATOM 0 H GLU D 38 2.616 24.547-100.896 1.00 41.16 H new -ATOM 0 HA GLU D 38 2.122 25.399-103.677 1.00 39.99 H new -ATOM 0 1HB GLU D 38 1.835 23.006-103.490 1.00 37.83 H new -ATOM 0 2HB GLU D 38 0.974 23.154-101.952 1.00 37.83 H new -ATOM 0 1HG GLU D 38 -0.890 24.359-103.213 1.00 54.31 H new -ATOM 0 2HG GLU D 38 -0.049 23.955-104.716 1.00 54.31 H new -ATOM 309 N PHE D 39 0.328 26.975-103.039 1.00 35.24 -ATOM 310 CA PHE D 39 -0.732 27.918-102.696 1.00 47.69 -ATOM 311 C PHE D 39 -2.046 27.172-102.503 1.00 55.45 -ATOM 312 O PHE D 39 -2.389 26.291-103.296 1.00 58.19 -ATOM 313 CB PHE D 39 -0.895 28.972-103.785 1.00 32.89 -ATOM 314 CG PHE D 39 -1.872 30.056-103.434 1.00 54.19 -ATOM 315 CD1 PHE D 39 -1.598 30.951-102.408 1.00 50.07 -ATOM 316 CD2 PHE D 39 -3.063 30.188-104.131 1.00 55.08 -ATOM 317 CE1 PHE D 39 -2.492 31.962-102.087 1.00 45.40 -ATOM 318 CE2 PHE D 39 -3.961 31.196-103.814 1.00 60.82 -ATOM 319 CZ PHE D 39 -3.673 32.084-102.791 1.00 51.74 -ATOM 0 H PHE D 39 0.765 27.145-103.922 1.00 35.24 H new -ATOM 0 HA PHE D 39 -0.455 28.424-101.759 1.00 47.69 H new -ATOM 0 1HB PHE D 39 0.085 29.427-103.992 1.00 32.89 H new -ATOM 0 2HB PHE D 39 -1.224 28.480-104.712 1.00 32.89 H new -ATOM 0 HD1 PHE D 39 -0.659 30.857-101.842 1.00 50.07 H new -ATOM 0 HD2 PHE D 39 -3.298 29.486-104.944 1.00 55.08 H new -ATOM 0 HE1 PHE D 39 -2.260 32.665-101.273 1.00 45.40 H new -ATOM 0 HE2 PHE D 39 -4.902 31.290-104.375 1.00 60.82 H new -ATOM 0 HZ PHE D 39 -4.384 32.885-102.540 1.00 51.74 H new -ATOM 320 N ALA D 40 -2.782 27.522-101.455 1.00 45.69 -ATOM 321 CA ALA D 40 -3.998 26.793-101.128 1.00 40.10 -ATOM 322 C ALA D 40 -5.166 27.715-100.810 1.00 41.78 -ATOM 323 O ALA D 40 -6.088 27.335-100.093 1.00 40.18 -ATOM 324 CB ALA D 40 -3.746 25.817 -99.991 1.00 31.84 -ATOM 0 H ALA D 40 -2.566 28.279-100.839 1.00 45.69 H new -ATOM 0 HA ALA D 40 -4.284 26.224-102.025 1.00 40.10 H new -ATOM 0 1HB ALA D 40 -4.675 25.276 -99.759 1.00 31.84 H new -ATOM 0 2HB ALA D 40 -2.969 25.098-100.290 1.00 31.84 H new -ATOM 0 3HB ALA D 40 -3.411 26.369 -99.101 1.00 31.84 H new -ATOM 325 N GLY D 41 -5.132 28.926-101.353 1.00 32.83 -ATOM 326 CA GLY D 41 -6.292 29.785-101.289 1.00 30.57 -ATOM 327 C GLY D 41 -6.058 31.136-100.659 1.00 37.95 -ATOM 328 O GLY D 41 -5.139 31.329 -99.865 1.00 37.18 -ATOM 0 H GLY D 41 -4.341 29.316-101.824 1.00 32.83 H new -ATOM 0 1HA GLY D 41 -6.673 29.936-102.310 1.00 30.57 H new -ATOM 0 2HA GLY D 41 -7.081 29.267-100.724 1.00 30.57 H new -ATOM 329 N LYS D 42 -6.910 32.081-101.027 1.00 30.12 -ATOM 330 CA LYS D 42 -6.851 33.411-100.469 1.00 38.86 -ATOM 331 C LYS D 42 -8.247 33.856-100.051 1.00 47.43 -ATOM 332 O LYS D 42 -9.173 33.878-100.863 1.00 43.74 -ATOM 333 CB LYS D 42 -6.243 34.393-101.475 1.00 21.03 -ATOM 334 CG LYS D 42 -6.364 35.842-101.058 1.00 41.03 -ATOM 335 CD LYS D 42 -5.358 36.733-101.770 1.00 39.80 -ATOM 336 CE LYS D 42 -5.623 36.818-103.257 1.00 57.98 -ATOM 337 NZ LYS D 42 -6.745 37.741-103.555 1.00 72.55 -ATOM 0 H LYS D 42 -7.637 31.947-101.700 1.00 30.12 H new -ATOM 0 HA LYS D 42 -6.203 33.397 -99.580 1.00 38.86 H new -ATOM 0 1HB LYS D 42 -5.180 34.149-101.616 1.00 21.03 H new -ATOM 0 2HB LYS D 42 -6.736 34.258-102.449 1.00 21.03 H new -ATOM 0 1HG LYS D 42 -7.382 36.199-101.272 1.00 41.03 H new -ATOM 0 2HG LYS D 42 -6.216 35.922 -99.971 1.00 41.03 H new -ATOM 0 1HD LYS D 42 -5.392 37.743-101.335 1.00 39.80 H new -ATOM 0 2HD LYS D 42 -4.343 36.344-101.602 1.00 39.80 H new -ATOM 0 1HE LYS D 42 -4.715 37.162-103.774 1.00 57.98 H new -ATOM 0 2HE LYS D 42 -5.856 35.816-103.648 1.00 57.98 H new -ATOM 0 1HZ LYS D 42 -7.109 37.541-104.464 1.00 72.55 H + new -ATOM 0 2HZ LYS D 42 -7.467 37.620-102.873 1.00 72.55 H + new -ATOM 0 3HZ LYS D 42 -6.417 38.685-103.529 1.00 72.55 H + new -ATOM 338 N TRP D 43 -8.396 34.189 -98.773 1.00 36.68 -ATOM 339 CA TRP D 43 -9.611 34.836 -98.294 1.00 32.31 -ATOM 340 C TRP D 43 -9.338 36.302 -97.972 1.00 33.65 -ATOM 341 O TRP D 43 -8.350 36.638 -97.316 1.00 41.43 -ATOM 342 CB TRP D 43 -10.169 34.115 -97.067 1.00 39.26 -ATOM 343 CG TRP D 43 -11.361 34.807 -96.467 1.00 47.59 -ATOM 344 CD1 TRP D 43 -12.672 34.593 -96.771 1.00 33.12 -ATOM 345 CD2 TRP D 43 -11.342 35.835 -95.471 1.00 38.13 -ATOM 346 NE1 TRP D 43 -13.469 35.423 -96.027 1.00 49.36 -ATOM 347 CE2 TRP D 43 -12.678 36.196 -95.219 1.00 40.95 -ATOM 348 CE3 TRP D 43 -10.325 36.489 -94.770 1.00 37.58 -ATOM 349 CZ2 TRP D 43 -13.025 37.173 -94.289 1.00 36.89 -ATOM 350 CZ3 TRP D 43 -10.675 37.467 -93.849 1.00 45.90 -ATOM 351 CH2 TRP D 43 -12.012 37.794 -93.616 1.00 34.73 -ATOM 0 H TRP D 43 -7.707 34.025 -98.067 1.00 36.68 H new -ATOM 0 HA TRP D 43 -10.366 34.783 -99.092 1.00 32.31 H new -ATOM 0 1HB TRP D 43 -10.451 33.090 -97.349 1.00 39.26 H new -ATOM 0 2HB TRP D 43 -9.379 34.034 -96.306 1.00 39.26 H new -ATOM 0 HD1 TRP D 43 -13.037 33.861 -97.506 1.00 33.12 H new -ATOM 0 HE1 TRP D 43 -14.468 35.459 -96.067 1.00 49.36 H new -ATOM 0 HE3 TRP D 43 -9.269 36.234 -94.944 1.00 37.58 H new -ATOM 0 HZ2 TRP D 43 -14.077 37.435 -94.103 1.00 36.89 H new -ATOM 0 HZ3 TRP D 43 -9.885 37.993 -93.293 1.00 45.90 H new -ATOM 0 HH2 TRP D 43 -12.255 38.569 -92.874 1.00 34.73 H new -ATOM 352 N SER D 44 -10.219 37.175 -98.436 1.00 30.84 -ATOM 353 CA SER D 44 -10.071 38.597 -98.181 1.00 41.95 -ATOM 354 C SER D 44 -11.276 39.114 -97.414 1.00 44.13 -ATOM 355 O SER D 44 -12.389 38.628 -97.600 1.00 40.57 -ATOM 356 CB SER D 44 -9.900 39.360 -99.495 1.00 50.39 -ATOM 357 OG SER D 44 -10.827 38.914-100.467 1.00 70.79 -ATOM 0 H SER D 44 -11.023 36.929 -98.977 1.00 30.84 H new -ATOM 0 HA SER D 44 -9.170 38.758 -97.571 1.00 41.95 H new -ATOM 0 1HB SER D 44 -8.875 39.225 -99.871 1.00 50.39 H new -ATOM 0 2HB SER D 44 -10.038 40.437 -99.318 1.00 50.39 H new -ATOM 0 HG SER D 44 -10.696 39.429-101.314 1.00 70.79 H new -ATOM 358 N ASP D 45 -11.048 40.091 -96.544 1.00 39.54 -ATOM 359 CA ASP D 45 -12.120 40.643 -95.742 1.00 44.27 -ATOM 360 C ASP D 45 -12.914 41.633 -96.564 1.00 59.01 -ATOM 361 O ASP D 45 -12.417 42.703 -96.910 1.00 61.59 -ATOM 362 CB ASP D 45 -11.579 41.327 -94.491 1.00 54.86 -ATOM 363 CG ASP D 45 -12.650 41.531 -93.440 1.00 45.04 -ATOM 364 OD1 ASP D 45 -13.308 40.536 -93.093 1.00 53.62 -ATOM 365 OD2 ASP D 45 -12.840 42.671 -92.966 1.00 28.03 -ATOM 0 H ASP D 45 -10.151 40.504 -96.383 1.00 39.54 H new -ATOM 0 HA ASP D 45 -12.773 39.816 -95.425 1.00 44.27 H new -ATOM 0 1HB ASP D 45 -10.764 40.722 -94.068 1.00 54.86 H new -ATOM 0 2HB ASP D 45 -11.147 42.301 -94.766 1.00 54.86 H new -ATOM 366 N ASP D 46 -14.155 41.273 -96.871 1.00 77.57 -ATOM 367 CA ASP D 46 -15.002 42.103 -97.719 1.00 86.43 -ATOM 368 C ASP D 46 -16.118 42.782 -96.927 1.00 89.68 -ATOM 369 O ASP D 46 -17.290 42.431 -97.066 1.00 95.50 -ATOM 370 CB ASP D 46 -15.588 41.267 -98.863 1.00 81.67 -ATOM 371 CG ASP D 46 -14.517 40.694 -99.774 1.00 81.41 -ATOM 372 OD1 ASP D 46 -14.673 39.539-100.229 1.00 87.70 -ATOM 373 OD2 ASP D 46 -13.515 41.397-100.029 1.00 70.75 -ATOM 0 H ASP D 46 -14.588 40.430 -96.552 1.00 77.57 H new -ATOM 0 HA ASP D 46 -14.370 42.899 -98.140 1.00 86.43 H new -ATOM 0 1HB ASP D 46 -16.185 40.444 -98.443 1.00 81.67 H new -ATOM 0 2HB ASP D 46 -16.273 41.892 -99.456 1.00 81.67 H new -ATOM 374 N PHE D 47 -15.748 43.748 -96.091 1.00 81.06 -ATOM 375 CA PHE D 47 -16.729 44.540 -95.360 1.00 82.74 -ATOM 376 C PHE D 47 -16.739 45.956 -95.925 1.00 84.75 -ATOM 377 O PHE D 47 -17.479 46.242 -96.865 1.00103.12 -ATOM 378 CB PHE D 47 -16.431 44.542 -93.859 1.00 85.98 -ATOM 379 CG PHE D 47 -17.607 44.936 -93.011 1.00 70.91 -ATOM 380 CD1 PHE D 47 -18.673 44.072 -92.845 1.00 67.71 -ATOM 381 CD2 PHE D 47 -17.648 46.171 -92.385 1.00 63.64 -ATOM 382 CE1 PHE D 47 -19.761 44.430 -92.070 1.00 67.59 -ATOM 383 CE2 PHE D 47 -18.731 46.534 -91.606 1.00 64.56 -ATOM 384 CZ PHE D 47 -19.789 45.662 -91.447 1.00 63.96 -ATOM 0 H PHE D 47 -14.797 43.995 -95.908 1.00 81.06 H new -ATOM 0 HA PHE D 47 -17.726 44.092 -95.486 1.00 82.74 H new -ATOM 0 1HB PHE D 47 -16.094 43.539 -93.560 1.00 85.98 H new -ATOM 0 2HB PHE D 47 -15.599 45.233 -93.660 1.00 85.98 H new -ATOM 0 HD1 PHE D 47 -18.656 43.088 -93.335 1.00 67.71 H new -ATOM 0 HD2 PHE D 47 -16.809 46.871 -92.509 1.00 63.64 H new -ATOM 0 HE1 PHE D 47 -20.604 43.733 -91.950 1.00 67.59 H new -ATOM 0 HE2 PHE D 47 -18.749 47.517 -91.113 1.00 64.56 H new -ATOM 0 HZ PHE D 47 -20.651 45.947 -90.826 1.00 63.96 H new -ATOM 385 N PRO D 99 -7.062 56.579 -89.207 1.00103.31 -ATOM 386 CA PRO D 99 -7.849 56.453 -90.425 1.00103.31 -ATOM 387 C PRO D 99 -8.582 55.121 -90.282 1.00103.31 -ATOM 388 O PRO D 99 -9.050 54.865 -89.172 1.00103.31 -ATOM 389 CB PRO D 99 -6.767 56.480 -91.493 1.00 93.29 -ATOM 390 CG PRO D 99 -5.811 57.597 -90.919 1.00 89.41 -ATOM 391 CD PRO D 99 -6.164 57.724 -89.403 1.00103.31 -ATOM 0 HA PRO D 99 -8.612 57.212 -90.650 1.00103.31 H new -ATOM 0 1HB PRO D 99 -6.259 55.510 -91.597 1.00 93.29 H new -ATOM 0 2HB PRO D 99 -7.166 56.742 -92.484 1.00 93.29 H new -ATOM 0 1HG PRO D 99 -4.755 57.321 -91.056 1.00 89.41 H new -ATOM 0 2HG PRO D 99 -5.964 58.553 -91.441 1.00 89.41 H new -ATOM 0 1HD PRO D 99 -5.270 57.662 -88.765 1.00103.31 H new -ATOM 0 2HD PRO D 99 -6.658 58.680 -89.173 1.00103.31 H new -ATOM 392 N ILE D 100 -8.703 54.294 -91.311 1.00 96.15 -ATOM 393 CA ILE D 100 -9.338 52.994 -91.079 1.00 96.61 -ATOM 394 C ILE D 100 -8.621 51.824 -91.741 1.00 88.90 -ATOM 395 O ILE D 100 -8.574 51.716 -92.966 1.00 91.04 -ATOM 396 CB ILE D 100 -10.853 52.987 -91.404 1.00 96.16 -ATOM 397 CG1 ILE D 100 -11.645 53.559 -90.224 1.00 90.87 -ATOM 398 CG2 ILE D 100 -11.333 51.572 -91.688 1.00 91.43 -ATOM 399 CD1 ILE D 100 -13.126 53.215 -90.237 1.00 94.21 -ATOM 0 H ILE D 100 -8.398 54.475 -92.246 1.00 96.15 H new -ATOM 0 HA ILE D 100 -9.238 52.839 -89.995 1.00 96.61 H new -ATOM 0 HB ILE D 100 -11.016 53.609 -92.297 1.00 96.16 H new -ATOM 0 1HG1 ILE D 100 -11.203 53.188 -89.287 1.00 90.87 H new -ATOM 0 2HG1 ILE D 100 -11.535 54.653 -90.220 1.00 90.87 H new -ATOM 0 1HG2 ILE D 100 -12.409 51.588 -91.916 1.00 91.43 H new -ATOM 0 2HG2 ILE D 100 -10.782 51.163 -92.548 1.00 91.43 H new -ATOM 0 3HG2 ILE D 100 -11.155 50.940 -90.805 1.00 91.43 H new -ATOM 0 1HD1 ILE D 100 -13.615 53.663 -89.359 1.00 94.21 H new -ATOM 0 2HD1 ILE D 100 -13.587 53.610 -91.154 1.00 94.21 H new -ATOM 0 3HD1 ILE D 100 -13.249 52.122 -90.207 1.00 94.21 H new -ATOM 400 N TYR D 101 -8.066 50.954 -90.902 1.00 79.28 -ATOM 401 CA TYR D 101 -7.324 49.789 -91.361 1.00 65.40 -ATOM 402 C TYR D 101 -8.066 48.521 -90.984 1.00 49.53 -ATOM 403 O TYR D 101 -8.245 48.229 -89.805 1.00 56.79 -ATOM 404 CB TYR D 101 -5.931 49.765 -90.735 1.00 52.81 -ATOM 405 CG TYR D 101 -5.171 51.053 -90.901 1.00 60.00 -ATOM 406 CD1 TYR D 101 -5.031 51.940 -89.843 1.00 53.68 -ATOM 407 CD2 TYR D 101 -4.598 51.385 -92.116 1.00 60.31 -ATOM 408 CE1 TYR D 101 -4.339 53.118 -89.990 1.00 68.55 -ATOM 409 CE2 TYR D 101 -3.905 52.561 -92.276 1.00 68.00 -ATOM 410 CZ TYR D 101 -3.776 53.427 -91.212 1.00 69.95 -ATOM 411 OH TYR D 101 -3.079 54.606 -91.372 1.00 67.73 -ATOM 0 H TYR D 101 -8.118 51.037 -89.907 1.00 79.28 H new -ATOM 0 HA TYR D 101 -7.226 49.847 -92.455 1.00 65.40 H new -ATOM 0 1HB TYR D 101 -6.025 49.541 -89.662 1.00 52.81 H new -ATOM 0 2HB TYR D 101 -5.350 48.946 -91.185 1.00 52.81 H new -ATOM 0 HD1 TYR D 101 -5.482 51.696 -88.870 1.00 53.68 H new -ATOM 0 HD2 TYR D 101 -4.699 50.696 -92.968 1.00 60.31 H new -ATOM 0 HE1 TYR D 101 -4.234 53.809 -89.141 1.00 68.55 H new -ATOM 0 HE2 TYR D 101 -3.456 52.810 -93.249 1.00 68.00 H new -ATOM 0 HH TYR D 101 -2.741 54.669 -92.311 1.00 67.73 H new -ATOM 412 N SER D 102 -8.487 47.766 -91.988 1.00 47.74 -ATOM 413 CA SER D 102 -9.228 46.533 -91.760 1.00 49.76 -ATOM 414 C SER D 102 -8.307 45.396 -91.318 1.00 40.68 -ATOM 415 O SER D 102 -8.068 44.451 -92.063 1.00 38.42 -ATOM 416 CB SER D 102 -9.991 46.145 -93.027 1.00 46.36 -ATOM 417 OG SER D 102 -10.830 45.029 -92.804 1.00 64.42 -ATOM 0 H SER D 102 -8.331 47.982 -92.952 1.00 47.74 H new -ATOM 0 HA SER D 102 -9.945 46.710 -90.945 1.00 49.76 H new -ATOM 0 1HB SER D 102 -9.277 45.914 -93.831 1.00 46.36 H new -ATOM 0 2HB SER D 102 -10.596 46.998 -93.369 1.00 46.36 H new -ATOM 0 HG SER D 102 -10.271 44.231 -92.578 1.00 64.42 H new -ATOM 418 N TYR D 103 -7.787 45.489 -90.101 1.00 42.69 -ATOM 419 CA TYR D 103 -6.868 44.479 -89.601 1.00 33.24 -ATOM 420 C TYR D 103 -7.529 43.116 -89.489 1.00 37.43 -ATOM 421 O TYR D 103 -8.737 43.014 -89.282 1.00 36.13 -ATOM 422 CB TYR D 103 -6.316 44.883 -88.239 1.00 30.85 -ATOM 423 CG TYR D 103 -5.251 45.955 -88.284 1.00 32.36 -ATOM 424 CD1 TYR D 103 -5.535 47.260 -87.913 1.00 27.07 -ATOM 425 CD2 TYR D 103 -3.958 45.657 -88.679 1.00 31.69 -ATOM 426 CE1 TYR D 103 -4.565 48.236 -87.941 1.00 43.68 -ATOM 427 CE2 TYR D 103 -2.978 46.627 -88.711 1.00 38.72 -ATOM 428 CZ TYR D 103 -3.285 47.917 -88.343 1.00 43.73 -ATOM 429 OH TYR D 103 -2.311 48.892 -88.372 1.00 37.70 -ATOM 0 H TYR D 103 -7.981 46.232 -89.461 1.00 42.69 H new -ATOM 0 HA TYR D 103 -6.046 44.406 -90.328 1.00 33.24 H new -ATOM 0 1HB TYR D 103 -7.147 45.237 -87.612 1.00 30.85 H new -ATOM 0 2HB TYR D 103 -5.899 43.991 -87.748 1.00 30.85 H new -ATOM 0 HD1 TYR D 103 -6.554 47.520 -87.590 1.00 27.07 H new -ATOM 0 HD2 TYR D 103 -3.707 44.627 -88.973 1.00 31.69 H new -ATOM 0 HE1 TYR D 103 -4.810 49.266 -87.644 1.00 43.68 H new -ATOM 0 HE2 TYR D 103 -1.957 46.371 -89.029 1.00 38.72 H new -ATOM 0 HH TYR D 103 -1.416 48.466 -88.508 1.00 37.70 H new -ATOM 430 N ILE D 104 -6.722 42.076 -89.662 1.00 31.08 -ATOM 431 CA ILE D 104 -7.095 40.710 -89.332 1.00 23.11 -ATOM 432 C ILE D 104 -6.072 40.278 -88.292 1.00 29.79 -ATOM 433 O ILE D 104 -4.892 40.607 -88.414 1.00 17.59 -ATOM 434 CB ILE D 104 -7.004 39.788 -90.564 1.00 33.06 -ATOM 435 CG1 ILE D 104 -8.078 40.155 -91.591 1.00 31.65 -ATOM 436 CG2 ILE D 104 -7.114 38.314 -90.157 1.00 15.95 -ATOM 437 CD1 ILE D 104 -9.473 39.719 -91.200 1.00 36.99 -ATOM 0 H ILE D 104 -5.797 42.159 -90.033 1.00 31.08 H new -ATOM 0 HA ILE D 104 -8.133 40.650 -88.972 1.00 23.11 H new -ATOM 0 HB ILE D 104 -6.018 39.934 -91.030 1.00 33.06 H new -ATOM 0 1HG1 ILE D 104 -8.073 41.245 -91.739 1.00 31.65 H new -ATOM 0 2HG1 ILE D 104 -7.819 39.698 -92.557 1.00 31.65 H new -ATOM 0 1HG2 ILE D 104 -7.046 37.680 -91.053 1.00 15.95 H new -ATOM 0 2HG2 ILE D 104 -6.295 38.062 -89.467 1.00 15.95 H new -ATOM 0 3HG2 ILE D 104 -8.079 38.142 -89.659 1.00 15.95 H new -ATOM 0 1HD1 ILE D 104 -10.184 40.017 -91.984 1.00 36.99 H new -ATOM 0 2HD1 ILE D 104 -9.496 38.626 -91.081 1.00 36.99 H new -ATOM 0 3HD1 ILE D 104 -9.754 40.197 -90.250 1.00 36.99 H new -ATOM 438 N ARG D 105 -6.510 39.569 -87.258 1.00 24.57 -ATOM 439 CA ARG D 105 -5.600 39.212 -86.183 1.00 16.66 -ATOM 440 C ARG D 105 -5.979 37.913 -85.491 1.00 19.10 -ATOM 441 O ARG D 105 -7.115 37.458 -85.600 1.00 16.54 -ATOM 442 CB ARG D 105 -5.545 40.344 -85.167 1.00 26.08 -ATOM 443 CG ARG D 105 -6.866 40.603 -84.478 1.00 42.68 -ATOM 444 CD ARG D 105 -7.062 42.090 -84.232 1.00 46.54 -ATOM 445 NE ARG D 105 -5.910 42.685 -83.564 1.00 50.25 -ATOM 446 CZ ARG D 105 -5.643 43.987 -83.545 1.00 57.33 -ATOM 447 NH1 ARG D 105 -6.440 44.850 -84.167 1.00 43.67 -ATOM 448 NH2 ARG D 105 -4.568 44.426 -82.907 1.00 78.62 -ATOM 0 H ARG D 105 -7.449 39.244 -87.146 1.00 24.57 H new -ATOM 0 HA ARG D 105 -4.610 39.053 -86.635 1.00 16.66 H new -ATOM 0 1HB ARG D 105 -4.785 40.107 -84.408 1.00 26.08 H new -ATOM 0 2HB ARG D 105 -5.218 41.264 -85.673 1.00 26.08 H new -ATOM 0 1HG ARG D 105 -7.690 40.217 -85.096 1.00 42.68 H new -ATOM 0 2HG ARG D 105 -6.899 40.060 -83.522 1.00 42.68 H new -ATOM 0 1HD ARG D 105 -7.234 42.601 -85.191 1.00 46.54 H new -ATOM 0 2HD ARG D 105 -7.962 42.245 -83.619 1.00 46.54 H new -ATOM 0 HE ARG D 105 -5.279 42.072 -83.088 1.00 50.25 H + new -ATOM 0 1HH1 ARG D 105 -7.249 44.522 -84.655 1.00 43.67 H + new -ATOM 0 2HH1 ARG D 105 -6.231 45.828 -84.147 1.00 43.67 H + new -ATOM 0 1HH2 ARG D 105 -3.963 43.779 -82.443 1.00 78.62 H + new -ATOM 0 2HH2 ARG D 105 -4.362 45.404 -82.889 1.00 78.62 H + new -ATOM 449 N ASN D 106 -5.006 37.312 -84.810 1.00 15.67 -ATOM 450 CA ASN D 106 -5.269 36.232 -83.868 1.00 23.23 -ATOM 451 C ASN D 106 -5.722 34.942 -84.511 1.00 29.74 -ATOM 452 O ASN D 106 -6.704 34.339 -84.072 1.00 27.28 -ATOM 453 CB ASN D 106 -6.327 36.672 -82.848 1.00 17.28 -ATOM 454 CG ASN D 106 -5.895 37.876 -82.062 1.00 22.50 -ATOM 455 OD1 ASN D 106 -4.707 38.043 -81.765 1.00 20.79 -ATOM 456 ND2 ASN D 106 -6.846 38.738 -81.732 1.00 14.85 -ATOM 0 H ASN D 106 -4.040 37.554 -84.894 1.00 15.67 H new -ATOM 0 HA ASN D 106 -4.304 36.024 -83.382 1.00 23.23 H new -ATOM 0 1HB ASN D 106 -7.267 36.897 -83.373 1.00 17.28 H new -ATOM 0 2HB ASN D 106 -6.535 35.841 -82.157 1.00 17.28 H new -ATOM 0 1HD2 ASN D 106 -6.615 39.566 -81.221 1.00 14.85 H new -ATOM 0 2HD2 ASN D 106 -7.795 38.561 -81.994 1.00 14.85 H new -ATOM 457 N LEU D 107 -5.025 34.522 -85.556 1.00 26.95 -ATOM 458 CA LEU D 107 -5.345 33.251 -86.178 1.00 23.87 -ATOM 459 C LEU D 107 -5.260 32.158 -85.132 1.00 22.23 -ATOM 460 O LEU D 107 -4.306 32.092 -84.363 1.00 28.77 -ATOM 461 CB LEU D 107 -4.379 32.951 -87.316 1.00 24.40 -ATOM 462 CG LEU D 107 -4.513 33.843 -88.540 1.00 24.10 -ATOM 463 CD1 LEU D 107 -3.427 33.470 -89.523 1.00 20.26 -ATOM 464 CD2 LEU D 107 -5.886 33.679 -89.161 1.00 26.83 -ATOM 0 H LEU D 107 -4.266 35.021 -85.974 1.00 26.95 H new -ATOM 0 HA LEU D 107 -6.363 33.298 -86.593 1.00 23.87 H new -ATOM 0 1HB LEU D 107 -3.351 33.036 -86.933 1.00 24.40 H new -ATOM 0 2HB LEU D 107 -4.521 31.906 -87.628 1.00 24.40 H new -ATOM 0 HG LEU D 107 -4.402 34.899 -88.254 1.00 24.10 H new -ATOM 0 1HD1 LEU D 107 -3.507 34.105 -90.417 1.00 20.26 H new -ATOM 0 2HD1 LEU D 107 -2.442 33.618 -89.056 1.00 20.26 H new -ATOM 0 3HD1 LEU D 107 -3.540 32.415 -89.812 1.00 20.26 H new -ATOM 0 1HD2 LEU D 107 -5.969 34.329 -90.044 1.00 26.83 H new -ATOM 0 2HD2 LEU D 107 -6.030 32.631 -89.463 1.00 26.83 H new -ATOM 0 3HD2 LEU D 107 -6.657 33.958 -88.427 1.00 26.83 H new -ATOM 465 N ARG D 108 -6.256 31.289 -85.106 1.00 14.84 -ATOM 466 CA ARG D 108 -6.247 30.194 -84.167 1.00 12.54 -ATOM 467 C ARG D 108 -6.965 29.013 -84.785 1.00 18.52 -ATOM 468 O ARG D 108 -8.018 29.170 -85.397 1.00 23.62 -ATOM 469 CB ARG D 108 -6.957 30.627 -82.880 1.00 23.60 -ATOM 470 CG ARG D 108 -6.449 29.943 -81.648 1.00 18.81 -ATOM 471 CD ARG D 108 -5.002 30.292 -81.393 1.00 36.14 -ATOM 472 NE ARG D 108 -4.767 31.732 -81.325 1.00 42.45 -ATOM 473 CZ ARG D 108 -4.846 32.453 -80.209 1.00 55.34 -ATOM 474 NH1 ARG D 108 -5.169 31.863 -79.057 1.00 25.82 -ATOM 475 NH2 ARG D 108 -4.606 33.767 -80.250 1.00 34.49 -ATOM 0 H ARG D 108 -7.054 31.323 -85.707 1.00 14.84 H new -ATOM 0 HA ARG D 108 -5.213 29.907 -83.927 1.00 12.54 H new -ATOM 0 1HB ARG D 108 -6.843 31.714 -82.758 1.00 23.60 H new -ATOM 0 2HB ARG D 108 -8.034 30.426 -82.981 1.00 23.60 H new -ATOM 0 1HG ARG D 108 -7.060 30.238 -80.782 1.00 18.81 H new -ATOM 0 2HG ARG D 108 -6.553 28.854 -81.759 1.00 18.81 H new -ATOM 0 1HD ARG D 108 -4.679 29.828 -80.449 1.00 36.14 H new -ATOM 0 2HD ARG D 108 -4.380 29.862 -82.192 1.00 36.14 H new -ATOM 0 HE ARG D 108 -4.531 32.207 -82.173 1.00 42.45 H + new -ATOM 0 1HH1 ARG D 108 -5.351 30.880 -79.033 1.00 25.82 H + new -ATOM 0 2HH1 ARG D 108 -5.229 32.404 -78.218 1.00 25.82 H + new -ATOM 0 1HH2 ARG D 108 -4.368 34.205 -81.117 1.00 34.49 H + new -ATOM 0 2HH2 ARG D 108 -4.664 34.312 -79.414 1.00 34.49 H + new -ATOM 476 N LEU D 109 -6.388 27.827 -84.640 1.00 16.82 -ATOM 477 CA LEU D 109 -7.050 26.609 -85.079 1.00 18.76 -ATOM 478 C LEU D 109 -7.698 25.901 -83.889 1.00 32.81 -ATOM 479 O LEU D 109 -7.094 25.800 -82.818 1.00 23.64 -ATOM 480 CB LEU D 109 -6.054 25.665 -85.739 1.00 17.65 -ATOM 481 CG LEU D 109 -5.585 25.928 -87.171 1.00 25.64 -ATOM 482 CD1 LEU D 109 -4.344 25.108 -87.430 1.00 20.06 -ATOM 483 CD2 LEU D 109 -6.674 25.599 -88.175 1.00 19.93 -ATOM 0 H LEU D 109 -5.486 27.687 -84.232 1.00 16.82 H new -ATOM 0 HA LEU D 109 -7.824 26.886 -85.810 1.00 18.76 H new -ATOM 0 1HB LEU D 109 -5.158 25.637 -85.101 1.00 17.65 H new -ATOM 0 2HB LEU D 109 -6.495 24.658 -85.719 1.00 17.65 H new -ATOM 0 HG LEU D 109 -5.353 26.997 -87.289 1.00 25.64 H new -ATOM 0 1HD1 LEU D 109 -3.994 25.286 -88.457 1.00 20.06 H new -ATOM 0 2HD1 LEU D 109 -3.557 25.399 -86.719 1.00 20.06 H new -ATOM 0 3HD1 LEU D 109 -4.576 24.040 -87.302 1.00 20.06 H new -ATOM 0 1HD2 LEU D 109 -6.307 25.798 -89.193 1.00 19.93 H new -ATOM 0 2HD2 LEU D 109 -6.948 24.537 -88.085 1.00 19.93 H new -ATOM 0 3HD2 LEU D 109 -7.558 26.223 -87.976 1.00 19.93 H new -ATOM 484 N THR D 110 -8.922 25.406 -84.069 1.00 21.83 -ATOM 485 CA THR D 110 -9.522 24.521 -83.073 1.00 32.39 -ATOM 486 C THR D 110 -8.618 23.312 -82.882 1.00 36.18 -ATOM 487 O THR D 110 -7.638 23.143 -83.605 1.00 48.14 -ATOM 488 CB THR D 110 -10.952 24.067 -83.457 1.00 33.51 -ATOM 489 OG1 THR D 110 -10.944 23.427 -84.736 1.00 36.94 -ATOM 490 CG2 THR D 110 -11.883 25.258 -83.513 1.00 35.91 -ATOM 0 H THR D 110 -9.497 25.595 -84.865 1.00 21.83 H new -ATOM 0 HA THR D 110 -9.617 25.084 -82.133 1.00 32.39 H new -ATOM 0 HB THR D 110 -11.303 23.359 -82.692 1.00 33.51 H new -ATOM 0 HG1 THR D 110 -11.257 22.482 -84.638 1.00 36.94 H new -ATOM 0 1HG2 THR D 110 -12.894 24.921 -83.787 1.00 35.91 H new -ATOM 0 2HG2 THR D 110 -11.914 25.747 -82.528 1.00 35.91 H new -ATOM 0 3HG2 THR D 110 -11.519 25.973 -84.265 1.00 35.91 H new -ATOM 491 N SER D 111 -8.928 22.468 -81.912 1.00 41.60 -ATOM 492 CA SER D 111 -8.043 21.352 -81.612 1.00 46.72 -ATOM 493 C SER D 111 -8.065 20.303 -82.717 1.00 37.87 -ATOM 494 O SER D 111 -7.054 19.667 -82.993 1.00 48.83 -ATOM 495 CB SER D 111 -8.404 20.726 -80.267 1.00 53.79 -ATOM 496 OG SER D 111 -7.298 20.029 -79.730 1.00 62.89 -ATOM 0 H SER D 111 -9.748 22.528 -81.342 1.00 41.60 H new -ATOM 0 HA SER D 111 -7.018 21.748 -81.552 1.00 46.72 H new -ATOM 0 1HB SER D 111 -9.253 20.038 -80.392 1.00 53.79 H new -ATOM 0 2HB SER D 111 -8.726 21.510 -79.566 1.00 53.79 H new -ATOM 0 HG SER D 111 -7.552 19.628 -78.850 1.00 62.89 H new -ATOM 497 N ASP D 112 -9.217 20.137 -83.355 1.00 36.77 -ATOM 498 CA ASP D 112 -9.380 19.132 -84.397 1.00 51.69 -ATOM 499 C ASP D 112 -9.017 19.719 -85.747 1.00 56.35 -ATOM 500 O ASP D 112 -9.079 19.044 -86.774 1.00 62.08 -ATOM 501 CB ASP D 112 -10.816 18.596 -84.412 1.00 65.95 -ATOM 502 CG ASP D 112 -11.852 19.699 -84.361 1.00 69.85 -ATOM 503 OD1 ASP D 112 -12.762 19.618 -83.509 1.00 71.48 -ATOM 504 OD2 ASP D 112 -11.751 20.649 -85.163 1.00 64.88 -ATOM 0 H ASP D 112 -10.038 20.677 -83.171 1.00 36.77 H new -ATOM 0 HA ASP D 112 -8.703 18.291 -84.183 1.00 51.69 H new -ATOM 0 1HB ASP D 112 -10.970 17.996 -85.321 1.00 65.95 H new -ATOM 0 2HB ASP D 112 -10.961 17.923 -83.554 1.00 65.95 H new -ATOM 505 N GLU D 113 -8.643 20.991 -85.726 1.00 51.93 -ATOM 506 CA GLU D 113 -8.239 21.717 -86.920 1.00 36.04 -ATOM 507 C GLU D 113 -9.305 21.723 -87.997 1.00 29.35 -ATOM 508 O GLU D 113 -9.016 22.020 -89.151 1.00 41.66 -ATOM 509 CB GLU D 113 -6.924 21.173 -87.465 1.00 36.26 -ATOM 510 CG GLU D 113 -5.744 21.378 -86.531 1.00 40.40 -ATOM 511 CD GLU D 113 -4.415 20.992 -87.162 1.00 40.69 -ATOM 512 OE1 GLU D 113 -4.416 20.265 -88.179 1.00 49.95 -ATOM 513 OE2 GLU D 113 -3.366 21.420 -86.638 1.00 38.44 -ATOM 0 H GLU D 113 -8.612 21.540 -84.891 1.00 51.93 H new -ATOM 0 HA GLU D 113 -8.094 22.764 -86.616 1.00 36.04 H new -ATOM 0 1HB GLU D 113 -7.038 20.098 -87.667 1.00 36.26 H new -ATOM 0 2HB GLU D 113 -6.707 21.660 -88.427 1.00 36.26 H new -ATOM 0 1HG GLU D 113 -5.705 22.434 -86.224 1.00 40.40 H new -ATOM 0 2HG GLU D 113 -5.897 20.783 -85.619 1.00 40.40 H new -ATOM 514 N SER D 114 -10.536 21.403 -87.616 1.00 33.42 -ATOM 515 CA SER D 114 -11.666 21.487 -88.531 1.00 36.85 -ATOM 516 C SER D 114 -11.971 22.941 -88.848 1.00 36.54 -ATOM 517 O SER D 114 -12.385 23.269 -89.954 1.00 46.85 -ATOM 518 CB SER D 114 -12.907 20.831 -87.920 1.00 59.13 -ATOM 519 OG SER D 114 -13.495 21.657 -86.925 1.00 66.20 -ATOM 0 H SER D 114 -10.772 21.089 -86.696 1.00 33.42 H new -ATOM 0 HA SER D 114 -11.400 20.955 -89.456 1.00 36.85 H new -ATOM 0 1HB SER D 114 -12.632 19.862 -87.479 1.00 59.13 H new -ATOM 0 2HB SER D 114 -13.643 20.627 -88.711 1.00 59.13 H new -ATOM 0 HG SER D 114 -13.121 21.418 -86.029 1.00 66.20 H new -ATOM 520 N ARG D 115 -11.766 23.813 -87.867 1.00 29.10 -ATOM 521 CA ARG D 115 -12.085 25.219 -88.032 1.00 30.98 -ATOM 522 C ARG D 115 -10.925 26.119 -87.643 1.00 32.27 -ATOM 523 O ARG D 115 -10.061 25.739 -86.855 1.00 27.68 -ATOM 524 CB ARG D 115 -13.317 25.591 -87.206 1.00 46.85 -ATOM 525 CG ARG D 115 -14.638 25.244 -87.862 1.00 56.96 -ATOM 526 CD ARG D 115 -15.794 25.417 -86.896 1.00 40.80 -ATOM 527 NE ARG D 115 -15.666 24.523 -85.755 1.00 43.09 -ATOM 528 CZ ARG D 115 -16.656 24.242 -84.911 1.00 43.13 -ATOM 529 NH1 ARG D 115 -17.856 24.782 -85.082 1.00 25.49 -ATOM 530 NH2 ARG D 115 -16.449 23.412 -83.895 1.00 39.08 -ATOM 0 H ARG D 115 -11.389 23.573 -86.972 1.00 29.10 H new -ATOM 0 HA ARG D 115 -12.294 25.375 -89.101 1.00 30.98 H new -ATOM 0 1HB ARG D 115 -13.259 25.080 -86.233 1.00 46.85 H new -ATOM 0 2HB ARG D 115 -13.295 26.672 -87.003 1.00 46.85 H new -ATOM 0 1HG ARG D 115 -14.793 25.885 -88.742 1.00 56.96 H new -ATOM 0 2HG ARG D 115 -14.610 24.205 -88.222 1.00 56.96 H new -ATOM 0 1HD ARG D 115 -15.830 26.459 -86.546 1.00 40.80 H new -ATOM 0 2HD ARG D 115 -16.743 25.219 -87.416 1.00 40.80 H new -ATOM 0 HE ARG D 115 -14.778 24.092 -85.595 1.00 43.09 H + new -ATOM 0 1HH1 ARG D 115 -18.020 25.404 -85.848 1.00 25.49 H + new -ATOM 0 2HH1 ARG D 115 -18.596 24.567 -84.445 1.00 25.49 H + new -ATOM 0 1HH2 ARG D 115 -15.549 22.997 -83.764 1.00 39.08 H + new -ATOM 0 2HH2 ARG D 115 -17.194 23.202 -83.262 1.00 39.08 H + new -ATOM 531 N LEU D 116 -10.929 27.320 -88.205 1.00 26.15 -ATOM 532 CA LEU D 116 -9.928 28.322 -87.918 1.00 24.23 -ATOM 533 C LEU D 116 -10.680 29.550 -87.494 1.00 24.80 -ATOM 534 O LEU D 116 -11.690 29.894 -88.102 1.00 24.13 -ATOM 535 CB LEU D 116 -9.138 28.651 -89.183 1.00 25.10 -ATOM 536 CG LEU D 116 -8.230 29.872 -89.083 1.00 22.13 -ATOM 537 CD1 LEU D 116 -6.899 29.480 -88.457 1.00 18.59 -ATOM 538 CD2 LEU D 116 -8.023 30.488 -90.455 1.00 26.60 -ATOM 0 H LEU D 116 -11.621 27.616 -88.864 1.00 26.15 H new -ATOM 0 HA LEU D 116 -9.227 27.970 -87.147 1.00 24.23 H new -ATOM 0 1HB LEU D 116 -8.524 27.778 -89.449 1.00 25.10 H new -ATOM 0 2HB LEU D 116 -9.848 28.809 -90.008 1.00 25.10 H new -ATOM 0 HG LEU D 116 -8.709 30.625 -88.439 1.00 22.13 H new -ATOM 0 1HD1 LEU D 116 -6.250 30.366 -88.389 1.00 18.59 H new -ATOM 0 2HD1 LEU D 116 -7.072 29.074 -87.449 1.00 18.59 H new -ATOM 0 3HD1 LEU D 116 -6.411 28.716 -89.080 1.00 18.59 H new -ATOM 0 1HD2 LEU D 116 -7.367 31.367 -90.368 1.00 26.60 H new -ATOM 0 2HD2 LEU D 116 -7.558 29.748 -91.123 1.00 26.60 H new -ATOM 0 3HD2 LEU D 116 -8.994 30.796 -90.870 1.00 26.60 H new -ATOM 539 N ILE D 117 -10.206 30.220 -86.455 1.00 19.11 -ATOM 540 CA ILE D 117 -10.859 31.447 -86.043 1.00 23.64 -ATOM 541 C ILE D 117 -9.900 32.611 -86.125 1.00 21.06 -ATOM 542 O ILE D 117 -8.682 32.428 -86.146 1.00 20.30 -ATOM 543 CB ILE D 117 -11.486 31.335 -84.629 1.00 25.54 -ATOM 544 CG1 ILE D 117 -10.421 31.016 -83.590 1.00 17.45 -ATOM 545 CG2 ILE D 117 -12.593 30.274 -84.618 1.00 19.61 -ATOM 546 CD1 ILE D 117 -10.919 31.151 -82.173 1.00 23.41 -ATOM 0 H ILE D 117 -9.413 29.950 -85.909 1.00 19.11 H new -ATOM 0 HA ILE D 117 -11.689 31.627 -86.742 1.00 23.64 H new -ATOM 0 HB ILE D 117 -11.933 32.306 -84.369 1.00 25.54 H new -ATOM 0 1HG1 ILE D 117 -10.058 29.990 -83.749 1.00 17.45 H new -ATOM 0 2HG1 ILE D 117 -9.562 31.687 -83.736 1.00 17.45 H new -ATOM 0 1HG2 ILE D 117 -13.027 30.207 -83.610 1.00 19.61 H new -ATOM 0 2HG2 ILE D 117 -13.377 30.554 -85.336 1.00 19.61 H new -ATOM 0 3HG2 ILE D 117 -12.170 29.299 -84.900 1.00 19.61 H new -ATOM 0 1HD1 ILE D 117 -10.106 30.908 -81.473 1.00 23.41 H new -ATOM 0 2HD1 ILE D 117 -11.256 32.184 -81.999 1.00 23.41 H new -ATOM 0 3HD1 ILE D 117 -11.759 30.460 -82.012 1.00 23.41 H new -ATOM 547 N ALA D 118 -10.460 33.810 -86.182 1.00 20.48 -ATOM 548 CA ALA D 118 -9.661 35.024 -86.278 1.00 22.34 -ATOM 549 C ALA D 118 -10.543 36.213 -85.962 1.00 23.48 -ATOM 550 O ALA D 118 -11.756 36.079 -85.838 1.00 19.20 -ATOM 551 CB ALA D 118 -9.061 35.165 -87.672 1.00 10.80 -ATOM 0 H ALA D 118 -11.448 33.966 -86.164 1.00 20.48 H new -ATOM 0 HA ALA D 118 -8.831 34.974 -85.558 1.00 22.34 H new -ATOM 0 1HB ALA D 118 -8.463 36.087 -87.723 1.00 10.80 H new -ATOM 0 2HB ALA D 118 -8.418 34.298 -87.884 1.00 10.80 H new -ATOM 0 3HB ALA D 118 -9.869 35.212 -88.417 1.00 10.80 H new -ATOM 552 N CYS D 119 -9.930 37.381 -85.849 1.00 16.80 -ATOM 553 CA CYS D 119 -10.671 38.584 -85.538 1.00 19.16 -ATOM 554 C CYS D 119 -10.574 39.541 -86.703 1.00 28.90 -ATOM 555 O CYS D 119 -9.501 39.724 -87.275 1.00 34.18 -ATOM 556 CB CYS D 119 -10.113 39.247 -84.283 1.00 16.14 -ATOM 557 SG CYS D 119 -10.132 38.214 -82.808 1.00 21.40 -ATOM 0 H CYS D 119 -8.946 37.514 -85.966 1.00 16.80 H new -ATOM 0 HA CYS D 119 -11.723 38.320 -85.356 1.00 19.16 H new -ATOM 0 1HB CYS D 119 -9.077 39.559 -84.481 1.00 16.14 H new -ATOM 0 2HB CYS D 119 -10.691 40.161 -84.081 1.00 16.14 H new -ATOM 0 HG CYS D 119 -11.324 38.219 -82.290 1.00 21.40 H new -ATOM 558 N ALA D 120 -11.705 40.140 -87.056 1.00 34.34 -ATOM 559 CA ALA D 120 -11.753 41.164 -88.086 1.00 28.45 -ATOM 560 C ALA D 120 -12.075 42.510 -87.443 1.00 37.21 -ATOM 561 O ALA D 120 -13.109 42.657 -86.799 1.00 43.77 -ATOM 562 CB ALA D 120 -12.792 40.806 -89.123 1.00 24.81 -ATOM 0 H ALA D 120 -12.593 39.933 -86.645 1.00 34.34 H new -ATOM 0 HA ALA D 120 -10.776 41.231 -88.587 1.00 28.45 H new -ATOM 0 1HB ALA D 120 -12.821 41.586 -89.898 1.00 24.81 H new -ATOM 0 2HB ALA D 120 -12.533 39.841 -89.584 1.00 24.81 H new -ATOM 0 3HB ALA D 120 -13.779 40.730 -88.643 1.00 24.81 H new -ATOM 563 N ASP D 121 -11.185 43.483 -87.604 1.00 26.31 -ATOM 564 CA ASP D 121 -11.384 44.817 -87.023 1.00 38.21 -ATOM 565 C ASP D 121 -12.515 45.588 -87.697 1.00 39.85 -ATOM 566 O ASP D 121 -13.236 46.347 -87.048 1.00 39.36 -ATOM 567 CB ASP D 121 -10.097 45.652 -87.091 1.00 32.48 -ATOM 568 CG ASP D 121 -9.138 45.340 -85.966 1.00 42.52 -ATOM 569 OD1 ASP D 121 -9.367 44.353 -85.238 1.00 61.85 -ATOM 570 OD2 ASP D 121 -8.155 46.087 -85.803 1.00 50.74 -ATOM 0 H ASP D 121 -10.335 43.381 -88.120 1.00 26.31 H new -ATOM 0 HA ASP D 121 -11.661 44.649 -85.972 1.00 38.21 H new -ATOM 0 1HB ASP D 121 -9.597 45.470 -88.054 1.00 32.48 H new -ATOM 0 2HB ASP D 121 -10.356 46.721 -87.060 1.00 32.48 H new -ATOM 571 N SER D 122 -12.654 45.389 -89.002 1.00 51.04 -ATOM 572 CA SER D 122 -13.638 46.098 -89.804 1.00 39.33 -ATOM 573 C SER D 122 -15.009 45.921 -89.207 1.00 44.82 -ATOM 574 O SER D 122 -15.898 46.748 -89.384 1.00 60.16 -ATOM 575 CB SER D 122 -13.666 45.511 -91.209 1.00 38.65 -ATOM 576 OG SER D 122 -14.217 44.208 -91.177 1.00 40.30 -ATOM 0 H SER D 122 -12.096 44.743 -89.523 1.00 51.04 H new -ATOM 0 HA SER D 122 -13.367 47.164 -89.831 1.00 39.33 H new -ATOM 0 1HB SER D 122 -12.647 45.478 -91.622 1.00 38.65 H new -ATOM 0 2HB SER D 122 -14.262 46.154 -91.873 1.00 38.65 H new -ATOM 0 HG SER D 122 -13.651 43.593 -91.726 1.00 40.30 H new -ATOM 577 N ASP D 123 -15.156 44.833 -88.472 1.00 50.98 -ATOM 578 CA ASP D 123 -16.451 44.279 -88.161 1.00 35.38 -ATOM 579 C ASP D 123 -16.607 44.028 -86.672 1.00 45.61 -ATOM 580 O ASP D 123 -17.673 43.605 -86.217 1.00 44.96 -ATOM 581 CB ASP D 123 -16.544 42.940 -88.871 1.00 41.25 -ATOM 582 CG ASP D 123 -17.931 42.590 -89.216 1.00 46.66 -ATOM 583 OD1 ASP D 123 -18.731 43.544 -89.290 1.00 45.87 -ATOM 584 OD2 ASP D 123 -18.215 41.388 -89.419 1.00 42.23 -ATOM 0 H ASP D 123 -14.390 44.321 -88.083 1.00 50.98 H new -ATOM 0 HA ASP D 123 -17.232 44.985 -88.478 1.00 35.38 H new -ATOM 0 1HB ASP D 123 -15.936 42.970 -89.787 1.00 41.25 H new -ATOM 0 2HB ASP D 123 -16.119 42.155 -88.228 1.00 41.25 H new -ATOM 585 N LYS D 124 -15.538 44.266 -85.918 1.00 27.38 -ATOM 586 CA LYS D 124 -15.493 43.850 -84.524 1.00 40.65 -ATOM 587 C LYS D 124 -16.048 42.429 -84.385 1.00 30.59 -ATOM 588 O LYS D 124 -16.865 42.153 -83.518 1.00 42.33 -ATOM 589 CB LYS D 124 -16.281 44.827 -83.654 1.00 41.11 -ATOM 590 CG LYS D 124 -15.876 46.273 -83.852 1.00 35.43 -ATOM 591 CD LYS D 124 -16.784 47.205 -83.072 1.00 48.64 -ATOM 592 CE LYS D 124 -16.448 48.668 -83.341 1.00 50.16 -ATOM 593 NZ LYS D 124 -15.032 49.002 -83.002 1.00 41.36 -ATOM 0 H LYS D 124 -14.714 44.732 -86.241 1.00 27.38 H new -ATOM 0 HA LYS D 124 -14.448 43.852 -84.182 1.00 40.65 H new -ATOM 0 1HB LYS D 124 -17.353 44.721 -83.876 1.00 41.11 H new -ATOM 0 2HB LYS D 124 -16.143 44.557 -82.596 1.00 41.11 H new -ATOM 0 1HG LYS D 124 -14.834 46.414 -83.528 1.00 35.43 H new -ATOM 0 2HG LYS D 124 -15.917 46.526 -84.922 1.00 35.43 H new -ATOM 0 1HD LYS D 124 -17.832 47.012 -83.345 1.00 48.64 H new -ATOM 0 2HD LYS D 124 -16.688 46.997 -81.996 1.00 48.64 H new -ATOM 0 1HE LYS D 124 -16.630 48.893 -84.402 1.00 50.16 H new -ATOM 0 2HE LYS D 124 -17.123 49.309 -82.755 1.00 50.16 H new -ATOM 0 1HZ LYS D 124 -14.901 49.992 -83.054 1.00 41.36 H + new -ATOM 0 2HZ LYS D 124 -14.828 48.688 -82.075 1.00 41.36 H + new -ATOM 0 3HZ LYS D 124 -14.418 48.550 -83.650 1.00 41.36 H + new -ATOM 594 N SER D 125 -15.591 41.530 -85.245 1.00 29.20 -ATOM 595 CA SER D 125 -16.164 40.195 -85.327 1.00 35.20 -ATOM 596 C SER D 125 -15.191 39.063 -84.994 1.00 38.08 -ATOM 597 O SER D 125 -13.975 39.223 -85.043 1.00 33.63 -ATOM 598 CB SER D 125 -16.745 39.957 -86.720 1.00 39.10 -ATOM 599 OG SER D 125 -15.750 40.126 -87.715 1.00 52.87 -ATOM 0 H SER D 125 -14.840 41.698 -85.883 1.00 29.20 H new -ATOM 0 HA SER D 125 -16.949 40.169 -84.557 1.00 35.20 H new -ATOM 0 1HB SER D 125 -17.574 40.656 -86.901 1.00 39.10 H new -ATOM 0 2HB SER D 125 -17.162 38.941 -86.780 1.00 39.10 H new -ATOM 0 HG SER D 125 -15.188 39.301 -87.769 1.00 52.87 H new -ATOM 600 N LEU D 126 -15.763 37.915 -84.647 1.00 29.80 -ATOM 601 CA LEU D 126 -15.029 36.679 -84.529 1.00 19.75 -ATOM 602 C LEU D 126 -15.369 35.893 -85.785 1.00 34.27 -ATOM 603 O LEU D 126 -16.511 35.463 -85.964 1.00 30.75 -ATOM 604 CB LEU D 126 -15.462 35.927 -83.272 1.00 23.08 -ATOM 605 CG LEU D 126 -14.571 34.887 -82.577 1.00 18.94 -ATOM 606 CD1 LEU D 126 -15.116 33.475 -82.721 1.00 25.02 -ATOM 607 CD2 LEU D 126 -13.102 34.972 -82.986 1.00 17.50 -ATOM 0 H LEU D 126 -16.738 37.827 -84.444 1.00 29.80 H new -ATOM 0 HA LEU D 126 -13.945 36.842 -84.438 1.00 19.75 H new -ATOM 0 1HB LEU D 126 -15.700 36.690 -82.517 1.00 23.08 H new -ATOM 0 2HB LEU D 126 -16.404 35.416 -83.521 1.00 23.08 H new -ATOM 0 HG LEU D 126 -14.601 35.144 -81.508 1.00 18.94 H new -ATOM 0 1HD1 LEU D 126 -14.446 32.769 -82.209 1.00 25.02 H new -ATOM 0 2HD1 LEU D 126 -16.118 33.421 -82.271 1.00 25.02 H new -ATOM 0 3HD1 LEU D 126 -15.179 33.213 -83.787 1.00 25.02 H new -ATOM 0 1HD2 LEU D 126 -12.527 34.201 -82.452 1.00 17.50 H new -ATOM 0 2HD2 LEU D 126 -13.013 34.809 -84.070 1.00 17.50 H new -ATOM 0 3HD2 LEU D 126 -12.707 35.966 -82.731 1.00 17.50 H new -ATOM 608 N LEU D 127 -14.389 35.747 -86.676 1.00 26.65 -ATOM 609 CA LEU D 127 -14.577 34.975 -87.892 1.00 24.30 -ATOM 610 C LEU D 127 -14.388 33.519 -87.571 1.00 24.84 -ATOM 611 O LEU D 127 -13.461 33.148 -86.856 1.00 30.43 -ATOM 612 CB LEU D 127 -13.557 35.367 -88.953 1.00 19.64 -ATOM 613 CG LEU D 127 -13.439 36.857 -89.226 1.00 27.04 -ATOM 614 CD1 LEU D 127 -12.273 37.137 -90.156 1.00 39.33 -ATOM 615 CD2 LEU D 127 -14.741 37.370 -89.786 1.00 34.41 -ATOM 0 H LEU D 127 -13.478 36.147 -86.576 1.00 26.65 H new -ATOM 0 HA LEU D 127 -15.588 35.172 -88.279 1.00 24.30 H new -ATOM 0 1HB LEU D 127 -12.571 34.989 -88.646 1.00 19.64 H new -ATOM 0 2HB LEU D 127 -13.818 34.859 -89.893 1.00 19.64 H new -ATOM 0 HG LEU D 127 -13.237 37.390 -88.285 1.00 27.04 H new -ATOM 0 1HD1 LEU D 127 -12.203 38.219 -90.342 1.00 39.33 H new -ATOM 0 2HD1 LEU D 127 -11.340 36.784 -89.692 1.00 39.33 H new -ATOM 0 3HD1 LEU D 127 -12.429 36.611 -91.109 1.00 39.33 H new -ATOM 0 1HD2 LEU D 127 -14.656 38.449 -89.984 1.00 34.41 H new -ATOM 0 2HD2 LEU D 127 -14.971 36.843 -90.724 1.00 34.41 H new -ATOM 0 3HD2 LEU D 127 -15.548 37.193 -89.060 1.00 34.41 H new -ATOM 616 N VAL D 128 -15.270 32.690 -88.099 1.00 28.13 -ATOM 617 CA VAL D 128 -15.064 31.255 -88.025 1.00 30.04 -ATOM 618 C VAL D 128 -15.021 30.713 -89.440 1.00 27.02 -ATOM 619 O VAL D 128 -15.923 30.961 -90.229 1.00 30.11 -ATOM 620 CB VAL D 128 -16.175 30.547 -87.217 1.00 31.65 -ATOM 621 CG1 VAL D 128 -15.904 29.065 -87.160 1.00 22.97 -ATOM 622 CG2 VAL D 128 -16.265 31.119 -85.808 1.00 19.68 -ATOM 0 H VAL D 128 -16.107 32.974 -88.567 1.00 28.13 H new -ATOM 0 HA VAL D 128 -14.118 31.058 -87.500 1.00 30.04 H new -ATOM 0 HB VAL D 128 -17.137 30.718 -87.721 1.00 31.65 H new -ATOM 0 1HG1 VAL D 128 -16.698 28.568 -86.584 1.00 22.97 H new -ATOM 0 2HG1 VAL D 128 -15.882 28.656 -88.181 1.00 22.97 H new -ATOM 0 3HG1 VAL D 128 -14.933 28.888 -86.674 1.00 22.97 H new -ATOM 0 1HG2 VAL D 128 -17.061 30.602 -85.252 1.00 19.68 H new -ATOM 0 2HG2 VAL D 128 -15.304 30.976 -85.292 1.00 19.68 H new -ATOM 0 3HG2 VAL D 128 -16.495 32.193 -85.862 1.00 19.68 H new -ATOM 623 N PHE D 129 -13.946 30.006 -89.764 1.00 33.15 -ATOM 624 CA PHE D 129 -13.763 29.430 -91.092 1.00 37.75 -ATOM 625 C PHE D 129 -13.858 27.915 -91.008 1.00 35.08 -ATOM 626 O PHE D 129 -13.466 27.313 -90.005 1.00 30.32 -ATOM 627 CB PHE D 129 -12.385 29.774 -91.654 1.00 25.43 -ATOM 628 CG PHE D 129 -12.195 31.225 -91.997 1.00 34.29 -ATOM 629 CD1 PHE D 129 -11.798 32.135 -91.031 1.00 26.42 -ATOM 630 CD2 PHE D 129 -12.361 31.667 -93.299 1.00 30.20 -ATOM 631 CE1 PHE D 129 -11.605 33.465 -91.353 1.00 25.71 -ATOM 632 CE2 PHE D 129 -12.170 32.982 -93.623 1.00 33.80 -ATOM 633 CZ PHE D 129 -11.794 33.887 -92.647 1.00 42.18 -ATOM 0 H PHE D 129 -13.195 29.820 -89.131 1.00 33.15 H new -ATOM 0 HA PHE D 129 -14.545 29.842 -91.746 1.00 37.75 H new -ATOM 0 1HB PHE D 129 -11.620 29.481 -90.920 1.00 25.43 H new -ATOM 0 2HB PHE D 129 -12.211 29.171 -92.558 1.00 25.43 H new -ATOM 0 HD1 PHE D 129 -11.635 31.796 -89.997 1.00 26.42 H new -ATOM 0 HD2 PHE D 129 -12.650 30.951 -94.083 1.00 30.20 H new -ATOM 0 HE1 PHE D 129 -11.301 34.183 -90.577 1.00 25.71 H new -ATOM 0 HE2 PHE D 129 -12.315 33.320 -94.660 1.00 33.80 H new -ATOM 0 HZ PHE D 129 -11.646 34.946 -92.907 1.00 42.18 H new -ATOM 634 N ASP D 130 -14.370 27.293 -92.063 1.00 46.84 -ATOM 635 CA ASP D 130 -14.222 25.849 -92.218 1.00 50.52 -ATOM 636 C ASP D 130 -12.917 25.562 -92.954 1.00 31.60 -ATOM 637 O ASP D 130 -12.567 26.268 -93.894 1.00 37.69 -ATOM 638 CB ASP D 130 -15.413 25.253 -92.969 1.00 61.22 -ATOM 639 CG ASP D 130 -16.494 24.718 -92.032 1.00 68.47 -ATOM 640 OD1 ASP D 130 -16.334 24.811 -90.795 1.00 49.24 -ATOM 641 OD2 ASP D 130 -17.507 24.193 -92.539 1.00 69.50 -ATOM 0 H ASP D 130 -14.873 27.746 -92.799 1.00 46.84 H new -ATOM 0 HA ASP D 130 -14.194 25.378 -91.224 1.00 50.52 H new -ATOM 0 1HB ASP D 130 -15.849 26.021 -93.624 1.00 61.22 H new -ATOM 0 2HB ASP D 130 -15.061 24.438 -93.619 1.00 61.22 H new -ATOM 642 N VAL D 131 -12.192 24.536 -92.516 1.00 48.39 -ATOM 643 CA VAL D 131 -10.870 24.225 -93.075 1.00 57.12 -ATOM 644 C VAL D 131 -10.820 22.919 -93.881 1.00 55.07 -ATOM 645 O VAL D 131 -10.844 21.822 -93.313 1.00 42.44 -ATOM 646 CB VAL D 131 -9.796 24.170 -91.968 1.00 44.94 -ATOM 647 CG1 VAL D 131 -8.510 23.530 -92.494 1.00 41.85 -ATOM 648 CG2 VAL D 131 -9.534 25.562 -91.424 1.00 42.20 -ATOM 0 H VAL D 131 -12.488 23.915 -91.790 1.00 48.39 H new -ATOM 0 HA VAL D 131 -10.660 25.048 -93.774 1.00 57.12 H new -ATOM 0 HB VAL D 131 -10.168 23.543 -91.144 1.00 44.94 H new -ATOM 0 1HG1 VAL D 131 -7.759 23.501 -91.691 1.00 41.85 H new -ATOM 0 2HG1 VAL D 131 -8.722 22.506 -92.834 1.00 41.85 H new -ATOM 0 3HG1 VAL D 131 -8.123 24.123 -93.336 1.00 41.85 H new -ATOM 0 1HG2 VAL D 131 -8.768 25.510 -90.637 1.00 42.20 H new -ATOM 0 2HG2 VAL D 131 -9.180 26.213 -92.237 1.00 42.20 H new -ATOM 0 3HG2 VAL D 131 -10.464 25.973 -91.004 1.00 42.20 H new -ATOM 649 N ASP D 132 -10.737 23.050 -95.205 1.00 54.70 -ATOM 650 CA ASP D 132 -10.637 21.891 -96.095 1.00 53.55 -ATOM 651 C ASP D 132 -9.175 21.565 -96.375 1.00 47.93 -ATOM 652 O ASP D 132 -8.515 22.243 -97.161 1.00 54.36 -ATOM 653 CB ASP D 132 -11.385 22.150 -97.409 1.00 60.11 -ATOM 654 CG ASP D 132 -11.727 20.868 -98.157 1.00 75.55 -ATOM 655 OD1 ASP D 132 -12.570 20.925 -99.081 1.00 74.25 -ATOM 656 OD2 ASP D 132 -11.158 19.807 -97.822 1.00 63.26 -ATOM 0 H ASP D 132 -10.737 23.931 -95.677 1.00 54.70 H new -ATOM 0 HA ASP D 132 -11.103 21.029 -95.595 1.00 53.55 H new -ATOM 0 1HB ASP D 132 -12.312 22.702 -97.195 1.00 60.11 H new -ATOM 0 2HB ASP D 132 -10.769 22.793 -98.055 1.00 60.11 H new -ATOM 657 N LYS D 133 -8.681 20.521 -95.722 1.00 46.95 -ATOM 658 CA LYS D 133 -7.291 20.109 -95.841 1.00 50.01 -ATOM 659 C LYS D 133 -6.977 19.598 -97.251 1.00 68.84 -ATOM 660 O LYS D 133 -5.812 19.422 -97.616 1.00 65.00 -ATOM 661 CB LYS D 133 -6.989 19.024 -94.806 1.00 38.99 -ATOM 662 CG LYS D 133 -5.599 19.084 -94.195 1.00 58.11 -ATOM 663 CD LYS D 133 -4.547 18.473 -95.106 1.00 80.64 -ATOM 664 CE LYS D 133 -3.203 18.356 -94.405 1.00 64.69 -ATOM 665 NZ LYS D 133 -2.257 17.494 -95.177 1.00 78.75 -ATOM 0 H LYS D 133 -9.223 19.948 -95.107 1.00 46.95 H new -ATOM 0 HA LYS D 133 -6.653 20.985 -95.654 1.00 50.01 H new -ATOM 0 1HB LYS D 133 -7.731 19.094 -93.997 1.00 38.99 H new -ATOM 0 2HB LYS D 133 -7.122 18.040 -95.280 1.00 38.99 H new -ATOM 0 1HG LYS D 133 -5.337 20.132 -93.985 1.00 58.11 H new -ATOM 0 2HG LYS D 133 -5.600 18.554 -93.231 1.00 58.11 H new -ATOM 0 1HD LYS D 133 -4.879 17.477 -95.435 1.00 80.64 H new -ATOM 0 2HD LYS D 133 -4.439 19.091 -96.010 1.00 80.64 H new -ATOM 0 1HE LYS D 133 -2.767 19.357 -94.275 1.00 64.69 H new -ATOM 0 2HE LYS D 133 -3.348 17.935 -93.399 1.00 64.69 H new -ATOM 0 1HZ LYS D 133 -1.385 17.437 -94.691 1.00 78.75 H + new -ATOM 0 2HZ LYS D 133 -2.644 16.577 -95.274 1.00 78.75 H + new -ATOM 0 3HZ LYS D 133 -2.108 17.890 -96.083 1.00 78.75 H + new -ATOM 666 N THR D 134 -8.022 19.372 -98.042 1.00 64.64 -ATOM 667 CA THR D 134 -7.870 18.797 -99.376 1.00 59.49 -ATOM 668 C THR D 134 -8.154 19.799-100.492 1.00 59.77 -ATOM 669 O THR D 134 -7.520 19.759-101.542 1.00 75.38 -ATOM 670 CB THR D 134 -8.802 17.590 -99.568 1.00 59.12 -ATOM 671 OG1 THR D 134 -10.165 18.031 -99.595 1.00 68.74 -ATOM 672 CG2 THR D 134 -8.622 16.596 -98.439 1.00 65.49 -ATOM 0 H THR D 134 -8.967 19.575 -97.787 1.00 64.64 H new -ATOM 0 HA THR D 134 -6.817 18.486 -99.443 1.00 59.49 H new -ATOM 0 HB THR D 134 -8.549 17.101-100.520 1.00 59.12 H new -ATOM 0 HG1 THR D 134 -10.345 18.607 -98.797 1.00 68.74 H new -ATOM 0 1HG2 THR D 134 -9.296 15.740 -98.592 1.00 65.49 H new -ATOM 0 2HG2 THR D 134 -7.580 16.244 -98.423 1.00 65.49 H new -ATOM 0 3HG2 THR D 134 -8.859 17.082 -97.481 1.00 65.49 H new -ATOM 673 N SER D 135 -9.112 20.689-100.262 1.00 58.54 -ATOM 674 CA SER D 135 -9.538 21.649-101.276 1.00 64.82 -ATOM 675 C SER D 135 -8.402 22.520-101.803 1.00 67.36 -ATOM 676 O SER D 135 -7.390 22.716-101.131 1.00 58.17 -ATOM 677 CB SER D 135 -10.652 22.543-100.721 1.00 70.91 -ATOM 678 OG SER D 135 -10.975 23.587-101.624 1.00 69.90 -ATOM 0 H SER D 135 -9.602 20.765 -99.394 1.00 58.54 H new -ATOM 0 HA SER D 135 -9.908 21.056-102.125 1.00 64.82 H new -ATOM 0 1HB SER D 135 -10.336 22.972 -99.759 1.00 70.91 H new -ATOM 0 2HB SER D 135 -11.548 21.936-100.523 1.00 70.91 H new -ATOM 0 HG SER D 135 -10.836 24.470-101.176 1.00 69.90 H new -ATOM 679 N LYS D 136 -8.582 23.037-103.014 1.00 76.93 -ATOM 680 CA LYS D 136 -7.651 24.000-103.587 1.00 73.36 -ATOM 681 C LYS D 136 -7.711 25.297-102.791 1.00 63.25 -ATOM 682 O LYS D 136 -6.682 25.877-102.458 1.00 61.62 -ATOM 683 CB LYS D 136 -7.973 24.252-105.062 1.00 84.94 -ATOM 684 CG LYS D 136 -7.458 23.172-106.001 1.00 93.61 -ATOM 685 CD LYS D 136 -7.785 23.483-107.455 1.00 80.41 -ATOM 686 CE LYS D 136 -6.879 22.700-108.411 1.00 85.71 -ATOM 687 NZ LYS D 136 -6.940 21.223-108.206 1.00 84.68 -ATOM 0 H LYS D 136 -9.353 22.808-103.608 1.00 76.93 H new -ATOM 0 HA LYS D 136 -6.631 23.592-103.532 1.00 73.36 H new -ATOM 0 1HB LYS D 136 -9.064 24.336-105.179 1.00 84.94 H new -ATOM 0 2HB LYS D 136 -7.542 25.219-105.361 1.00 84.94 H new -ATOM 0 1HG LYS D 136 -6.369 23.073-105.883 1.00 93.61 H new -ATOM 0 2HG LYS D 136 -7.901 22.204-105.724 1.00 93.61 H new -ATOM 0 1HD LYS D 136 -8.837 23.235-107.658 1.00 80.41 H new -ATOM 0 2HD LYS D 136 -7.668 24.562-107.637 1.00 80.41 H new -ATOM 0 1HE LYS D 136 -7.165 22.931-109.448 1.00 85.71 H new -ATOM 0 2HE LYS D 136 -5.841 23.039-108.281 1.00 85.71 H new -ATOM 0 1HZ LYS D 136 -6.448 20.763-108.945 1.00 84.68 H + new -ATOM 0 2HZ LYS D 136 -6.518 20.990-107.330 1.00 84.68 H + new -ATOM 0 3HZ LYS D 136 -7.895 20.925-108.205 1.00 84.68 H + new -ATOM 688 N ASN D 137 -8.924 25.750-102.493 1.00 65.65 -ATOM 689 CA ASN D 137 -9.125 26.831-101.539 1.00 68.03 -ATOM 690 C ASN D 137 -9.494 26.238-100.170 1.00 59.48 -ATOM 691 O ASN D 137 -10.548 25.637-100.006 1.00 50.29 -ATOM 692 CB ASN D 137 -10.198 27.803-102.035 1.00 72.60 -ATOM 693 CG ASN D 137 -10.192 29.123-101.272 1.00 83.31 -ATOM 694 OD1 ASN D 137 -9.366 29.339-100.381 1.00 77.16 -ATOM 695 ND2 ASN D 137 -11.117 30.013-101.623 1.00 77.59 -ATOM 0 H ASN D 137 -9.767 25.390-102.892 1.00 65.65 H new -ATOM 0 HA ASN D 137 -8.192 27.404-101.436 1.00 68.03 H new -ATOM 0 1HB ASN D 137 -10.041 28.002-103.105 1.00 72.60 H new -ATOM 0 2HB ASN D 137 -11.187 27.332-101.937 1.00 72.60 H new -ATOM 0 1HD2 ASN D 137 -11.161 30.898-101.159 1.00 77.59 H new -ATOM 0 2HD2 ASN D 137 -11.768 29.797-102.351 1.00 77.59 H new -ATOM 696 N VAL D 138 -8.608 26.408 -99.195 1.00 49.95 -ATOM 697 CA VAL D 138 -8.707 25.708 -97.921 1.00 50.99 -ATOM 698 C VAL D 138 -9.710 26.331 -96.944 1.00 52.94 -ATOM 699 O VAL D 138 -10.331 25.621 -96.144 1.00 34.70 -ATOM 700 CB VAL D 138 -7.317 25.586 -97.253 1.00 47.31 -ATOM 701 CG1 VAL D 138 -7.431 24.991 -95.875 1.00 38.74 -ATOM 702 CG2 VAL D 138 -6.406 24.728 -98.105 1.00 49.82 -ATOM 0 H VAL D 138 -7.820 27.020 -99.264 1.00 49.95 H new -ATOM 0 HA VAL D 138 -9.094 24.707 -98.162 1.00 50.99 H new -ATOM 0 HB VAL D 138 -6.891 26.596 -97.162 1.00 47.31 H new -ATOM 0 1HG1 VAL D 138 -6.431 24.916 -95.424 1.00 38.74 H new -ATOM 0 2HG1 VAL D 138 -8.068 25.634 -95.249 1.00 38.74 H new -ATOM 0 3HG1 VAL D 138 -7.878 23.988 -95.944 1.00 38.74 H new -ATOM 0 1HG2 VAL D 138 -5.421 24.647 -97.622 1.00 49.82 H new -ATOM 0 2HG2 VAL D 138 -6.844 23.725 -98.215 1.00 49.82 H new -ATOM 0 3HG2 VAL D 138 -6.291 25.188 -99.098 1.00 49.82 H new -ATOM 703 N LEU D 139 -9.882 27.650 -97.021 1.00 51.08 -ATOM 704 CA LEU D 139 -10.726 28.361 -96.067 1.00 44.06 -ATOM 705 C LEU D 139 -12.091 28.757 -96.612 1.00 51.03 -ATOM 706 O LEU D 139 -12.188 29.373 -97.674 1.00 51.31 -ATOM 707 CB LEU D 139 -10.007 29.609 -95.546 1.00 46.64 -ATOM 708 CG LEU D 139 -8.836 29.373 -94.597 1.00 32.33 -ATOM 709 CD1 LEU D 139 -8.478 30.655 -93.875 1.00 41.11 -ATOM 710 CD2 LEU D 139 -9.191 28.279 -93.606 1.00 27.39 -ATOM 0 H LEU D 139 -9.459 28.231 -97.716 1.00 51.08 H new -ATOM 0 HA LEU D 139 -10.910 27.647 -95.251 1.00 44.06 H new -ATOM 0 1HB LEU D 139 -9.640 30.181 -96.411 1.00 46.64 H new -ATOM 0 2HB LEU D 139 -10.745 30.242 -95.032 1.00 46.64 H new -ATOM 0 HG LEU D 139 -7.959 29.051 -95.179 1.00 32.33 H new -ATOM 0 1HD1 LEU D 139 -7.633 30.470 -93.195 1.00 41.11 H new -ATOM 0 2HD1 LEU D 139 -8.195 31.423 -94.610 1.00 41.11 H new -ATOM 0 3HD1 LEU D 139 -9.345 31.004 -93.295 1.00 41.11 H new -ATOM 0 1HD2 LEU D 139 -8.344 28.112 -92.924 1.00 27.39 H new -ATOM 0 2HD2 LEU D 139 -10.075 28.582 -93.025 1.00 27.39 H new -ATOM 0 3HD2 LEU D 139 -9.412 27.349 -94.150 1.00 27.39 H new -ATOM 711 N LYS D 140 -13.139 28.418 -95.864 1.00 52.15 -ATOM 712 CA LYS D 140 -14.489 28.903 -96.149 1.00 44.56 -ATOM 713 C LYS D 140 -15.081 29.625 -94.944 1.00 52.13 -ATOM 714 O LYS D 140 -15.445 28.997 -93.944 1.00 38.17 -ATOM 715 CB LYS D 140 -15.415 27.761 -96.567 1.00 55.95 -ATOM 716 CG LYS D 140 -14.772 26.731 -97.479 1.00 73.36 -ATOM 717 CD LYS D 140 -14.206 25.561 -96.678 1.00 66.34 -ATOM 718 CE LYS D 140 -13.024 24.931 -97.387 1.00 67.36 -ATOM 719 NZ LYS D 140 -13.243 24.794 -98.858 1.00 67.48 -ATOM 0 H LYS D 140 -13.080 27.817 -95.067 1.00 52.15 H new -ATOM 0 HA LYS D 140 -14.406 29.613 -96.985 1.00 44.56 H new -ATOM 0 1HB LYS D 140 -15.781 27.253 -95.663 1.00 55.95 H new -ATOM 0 2HB LYS D 140 -16.293 28.185 -97.076 1.00 55.95 H new -ATOM 0 1HG LYS D 140 -15.516 26.360 -98.200 1.00 73.36 H new -ATOM 0 2HG LYS D 140 -13.967 27.204 -98.061 1.00 73.36 H new -ATOM 0 1HD LYS D 140 -13.896 25.911 -95.682 1.00 66.34 H new -ATOM 0 2HD LYS D 140 -14.990 24.805 -96.524 1.00 66.34 H new -ATOM 0 1HE LYS D 140 -12.126 25.542 -97.209 1.00 67.36 H new -ATOM 0 2HE LYS D 140 -12.829 23.938 -96.955 1.00 67.36 H new -ATOM 0 1HZ LYS D 140 -12.629 24.094 -99.223 1.00 67.48 H + new -ATOM 0 2HZ LYS D 140 -14.191 24.528 -99.031 1.00 67.48 H + new -ATOM 0 3HZ LYS D 140 -13.056 25.668 -99.306 1.00 67.48 H + new -ATOM 720 N LEU D 141 -15.167 30.947 -95.045 1.00 42.82 -ATOM 721 CA LEU D 141 -15.792 31.753 -94.012 1.00 39.10 -ATOM 722 C LEU D 141 -17.234 31.309 -93.838 1.00 47.99 -ATOM 723 O LEU D 141 -18.026 31.393 -94.769 1.00 63.02 -ATOM 724 CB LEU D 141 -15.759 33.233 -94.398 1.00 36.43 -ATOM 725 CG LEU D 141 -16.538 34.105 -93.416 1.00 44.77 -ATOM 726 CD1 LEU D 141 -16.040 33.821 -92.001 1.00 35.44 -ATOM 727 CD2 LEU D 141 -16.433 35.586 -93.771 1.00 39.16 -ATOM 0 H LEU D 141 -14.816 31.471 -95.821 1.00 42.82 H new -ATOM 0 HA LEU D 141 -15.240 31.620 -93.070 1.00 39.10 H new -ATOM 0 1HB LEU D 141 -14.715 33.575 -94.440 1.00 36.43 H new -ATOM 0 2HB LEU D 141 -16.179 33.356 -95.407 1.00 36.43 H new -ATOM 0 HG LEU D 141 -17.607 33.853 -93.476 1.00 44.77 H new -ATOM 0 1HD1 LEU D 141 -16.595 34.444 -91.284 1.00 35.44 H new -ATOM 0 2HD1 LEU D 141 -16.199 32.759 -91.762 1.00 35.44 H new -ATOM 0 3HD1 LEU D 141 -14.967 34.055 -91.936 1.00 35.44 H new -ATOM 0 1HD2 LEU D 141 -17.005 36.180 -93.043 1.00 39.16 H new -ATOM 0 2HD2 LEU D 141 -15.378 35.895 -93.747 1.00 39.16 H new -ATOM 0 3HD2 LEU D 141 -16.840 35.752 -94.779 1.00 39.16 H new -ATOM 728 N ARG D 142 -17.585 30.841 -92.648 1.00 52.60 -ATOM 729 CA ARG D 142 -18.951 30.384 -92.413 1.00 53.53 -ATOM 730 C ARG D 142 -19.706 31.149 -91.333 1.00 44.34 -ATOM 731 O ARG D 142 -20.930 31.094 -91.292 1.00 54.18 -ATOM 732 CB ARG D 142 -18.990 28.880 -92.144 1.00 35.11 -ATOM 733 CG ARG D 142 -18.579 28.078 -93.350 1.00 62.12 -ATOM 734 CD ARG D 142 -18.925 26.627 -93.184 1.00 69.09 -ATOM 735 NE ARG D 142 -20.365 26.408 -93.209 1.00 78.66 -ATOM 736 CZ ARG D 142 -20.935 25.214 -93.086 1.00 78.32 -ATOM 737 NH1 ARG D 142 -20.184 24.132 -92.928 1.00 81.20 -ATOM 738 NH2 ARG D 142 -22.256 25.099 -93.121 1.00 82.32 -ATOM 0 H ARG D 142 -16.972 30.769 -91.861 1.00 52.60 H new -ATOM 0 HA ARG D 142 -19.487 30.602 -93.348 1.00 53.53 H new -ATOM 0 1HB ARG D 142 -18.323 28.642 -91.302 1.00 35.11 H new -ATOM 0 2HB ARG D 142 -20.007 28.589 -91.841 1.00 35.11 H new -ATOM 0 1HG ARG D 142 -19.078 28.476 -94.246 1.00 62.12 H new -ATOM 0 2HG ARG D 142 -17.496 28.183 -93.512 1.00 62.12 H new -ATOM 0 1HD ARG D 142 -18.451 26.043 -93.987 1.00 69.09 H new -ATOM 0 2HD ARG D 142 -18.514 26.258 -92.232 1.00 69.09 H new -ATOM 0 HE ARG D 142 -20.960 27.203 -93.326 1.00 78.66 H + new -ATOM 0 1HH1 ARG D 142 -19.188 24.214 -92.901 1.00 81.20 H + new -ATOM 0 2HH1 ARG D 142 -20.614 23.234 -92.836 1.00 81.20 H + new -ATOM 0 1HH2 ARG D 142 -22.826 25.912 -93.240 1.00 82.32 H + new -ATOM 0 2HH2 ARG D 142 -22.682 24.199 -93.028 1.00 82.32 H + new -ATOM 739 N LYS D 143 -18.992 31.866 -90.472 1.00 44.66 -ATOM 740 CA LYS D 143 -19.657 32.682 -89.457 1.00 45.62 -ATOM 741 C LYS D 143 -18.952 33.983 -89.130 1.00 36.52 -ATOM 742 O LYS D 143 -17.732 34.098 -89.252 1.00 32.44 -ATOM 743 CB LYS D 143 -19.855 31.894 -88.164 1.00 31.35 -ATOM 744 CG LYS D 143 -20.656 30.627 -88.337 1.00 40.45 -ATOM 745 CD LYS D 143 -21.233 30.170 -87.021 1.00 33.14 -ATOM 746 CE LYS D 143 -21.569 28.698 -87.074 1.00 33.18 -ATOM 747 NZ LYS D 143 -22.371 28.266 -85.899 1.00 32.36 -ATOM 0 H LYS D 143 -17.993 31.900 -90.454 1.00 44.66 H new -ATOM 0 HA LYS D 143 -20.625 32.946 -89.908 1.00 45.62 H new -ATOM 0 1HB LYS D 143 -18.870 31.639 -87.747 1.00 31.35 H new -ATOM 0 2HB LYS D 143 -20.359 32.537 -87.428 1.00 31.35 H new -ATOM 0 1HG LYS D 143 -21.468 30.798 -89.059 1.00 40.45 H new -ATOM 0 2HG LYS D 143 -20.015 29.837 -88.755 1.00 40.45 H new -ATOM 0 1HD LYS D 143 -20.512 30.359 -86.212 1.00 33.14 H new -ATOM 0 2HD LYS D 143 -22.138 30.751 -86.788 1.00 33.14 H new -ATOM 0 1HE LYS D 143 -22.128 28.484 -87.997 1.00 33.18 H new -ATOM 0 2HE LYS D 143 -20.639 28.112 -87.117 1.00 33.18 H new -ATOM 0 1HZ LYS D 143 -22.989 27.528 -86.170 1.00 32.36 H + new -ATOM 0 2HZ LYS D 143 -21.759 27.940 -85.178 1.00 32.36 H + new -ATOM 0 3HZ LYS D 143 -22.906 29.039 -85.557 1.00 32.36 H + new -ATOM 748 N ARG D 144 -19.744 34.955 -88.690 1.00 39.61 -ATOM 749 CA ARG D 144 -19.214 36.212 -88.196 1.00 40.25 -ATOM 750 C ARG D 144 -19.951 36.666 -86.947 1.00 35.63 -ATOM 751 O ARG D 144 -21.051 37.198 -87.027 1.00 37.49 -ATOM 752 CB ARG D 144 -19.311 37.298 -89.262 1.00 34.09 -ATOM 753 CG ARG D 144 -18.197 37.293 -90.270 1.00 35.49 -ATOM 754 CD ARG D 144 -17.845 38.726 -90.612 1.00 43.09 -ATOM 755 NE ARG D 144 -17.186 38.844 -91.901 1.00 49.42 -ATOM 756 CZ ARG D 144 -16.349 39.821 -92.214 1.00 46.73 -ATOM 757 NH1 ARG D 144 -16.066 40.759 -91.321 1.00 30.96 -ATOM 758 NH2 ARG D 144 -15.793 39.854 -93.416 1.00 65.39 -ATOM 0 H ARG D 144 -20.742 34.892 -88.668 1.00 39.61 H new -ATOM 0 HA ARG D 144 -18.156 36.045 -87.944 1.00 40.25 H new -ATOM 0 1HB ARG D 144 -20.268 37.186 -89.793 1.00 34.09 H new -ATOM 0 2HB ARG D 144 -19.332 38.279 -88.765 1.00 34.09 H new -ATOM 0 1HG ARG D 144 -17.318 36.771 -89.864 1.00 35.49 H new -ATOM 0 2HG ARG D 144 -18.504 36.749 -91.175 1.00 35.49 H new -ATOM 0 1HD ARG D 144 -18.761 39.335 -90.615 1.00 43.09 H new -ATOM 0 2HD ARG D 144 -17.189 39.136 -89.830 1.00 43.09 H new -ATOM 0 HE ARG D 144 -17.375 38.147 -92.592 1.00 49.42 H + new -ATOM 0 1HH1 ARG D 144 -16.484 40.728 -90.413 1.00 30.96 H + new -ATOM 0 2HH1 ARG D 144 -15.434 41.498 -91.555 1.00 30.96 H + new -ATOM 0 1HH2 ARG D 144 -16.006 39.142 -94.085 1.00 65.39 H + new -ATOM 0 2HH2 ARG D 144 -15.161 40.591 -93.654 1.00 65.39 H + new -ATOM 759 N PHE D 145 -19.325 36.469 -85.796 1.00 35.58 -ATOM 760 CA PHE D 145 -19.886 36.910 -84.533 1.00 30.15 -ATOM 761 C PHE D 145 -19.469 38.343 -84.230 1.00 27.58 -ATOM 762 O PHE D 145 -18.313 38.595 -83.929 1.00 29.68 -ATOM 763 CB PHE D 145 -19.418 35.987 -83.410 1.00 19.79 -ATOM 764 CG PHE D 145 -19.917 34.578 -83.533 1.00 32.06 -ATOM 765 CD1 PHE D 145 -19.141 33.606 -84.135 1.00 18.29 -ATOM 766 CD2 PHE D 145 -21.160 34.222 -83.033 1.00 37.92 -ATOM 767 CE1 PHE D 145 -19.588 32.327 -84.250 1.00 27.90 -ATOM 768 CE2 PHE D 145 -21.619 32.924 -83.142 1.00 33.01 -ATOM 769 CZ PHE D 145 -20.835 31.978 -83.753 1.00 37.56 -ATOM 0 H PHE D 145 -18.439 36.012 -85.715 1.00 35.58 H new -ATOM 0 HA PHE D 145 -20.983 36.873 -84.605 1.00 30.15 H new -ATOM 0 1HB PHE D 145 -18.318 35.976 -83.393 1.00 19.79 H new -ATOM 0 2HB PHE D 145 -19.751 36.400 -82.446 1.00 19.79 H new -ATOM 0 HD1 PHE D 145 -18.148 33.871 -84.527 1.00 18.29 H new -ATOM 0 HD2 PHE D 145 -21.788 34.982 -82.544 1.00 37.92 H new -ATOM 0 HE1 PHE D 145 -18.959 31.568 -84.738 1.00 27.90 H new -ATOM 0 HE2 PHE D 145 -22.606 32.650 -82.742 1.00 33.01 H new -ATOM 0 HZ PHE D 145 -21.195 30.943 -83.849 1.00 37.56 H new -ATOM 770 N CYS D 146 -20.410 39.282 -84.286 1.00 30.11 -ATOM 771 CA CYS D 146 -20.076 40.693 -84.058 1.00 32.46 -ATOM 772 C CYS D 146 -20.185 41.161 -82.601 1.00 45.17 -ATOM 773 O CYS D 146 -20.982 40.640 -81.816 1.00 39.95 -ATOM 774 CB CYS D 146 -20.895 41.603 -84.971 1.00 23.26 -ATOM 775 SG CYS D 146 -20.624 41.297 -86.730 1.00 46.66 -ATOM 0 H CYS D 146 -21.375 39.105 -84.479 1.00 30.11 H new -ATOM 0 HA CYS D 146 -19.008 40.770 -84.309 1.00 32.46 H new -ATOM 0 1HB CYS D 146 -21.963 41.470 -84.745 1.00 23.26 H new -ATOM 0 2HB CYS D 146 -20.647 42.651 -84.748 1.00 23.26 H new -ATOM 0 HG CYS D 146 -21.358 42.110 -87.430 1.00 46.66 H new -ATOM 776 N PHE D 147 -19.374 42.158 -82.264 1.00 37.86 -ATOM 777 CA PHE D 147 -19.264 42.677 -80.909 1.00 30.15 -ATOM 778 C PHE D 147 -19.320 44.210 -80.931 1.00 30.89 -ATOM 779 O PHE D 147 -19.186 44.837 -81.979 1.00 30.06 -ATOM 780 CB PHE D 147 -17.941 42.227 -80.271 1.00 33.25 -ATOM 781 CG PHE D 147 -17.845 40.743 -79.998 1.00 34.68 -ATOM 782 CD1 PHE D 147 -18.093 40.237 -78.729 1.00 44.76 -ATOM 783 CD2 PHE D 147 -17.469 39.860 -80.996 1.00 27.11 -ATOM 784 CE1 PHE D 147 -17.990 38.873 -78.472 1.00 42.95 -ATOM 785 CE2 PHE D 147 -17.367 38.497 -80.742 1.00 30.59 -ATOM 786 CZ PHE D 147 -17.626 38.005 -79.483 1.00 37.69 -ATOM 0 H PHE D 147 -18.780 42.623 -82.920 1.00 37.86 H new -ATOM 0 HA PHE D 147 -20.103 42.285 -80.315 1.00 30.15 H new -ATOM 0 1HB PHE D 147 -17.112 42.519 -80.933 1.00 33.25 H new -ATOM 0 2HB PHE D 147 -17.803 42.770 -79.324 1.00 33.25 H new -ATOM 0 HD1 PHE D 147 -18.374 40.923 -77.916 1.00 44.76 H new -ATOM 0 HD2 PHE D 147 -17.248 40.242 -82.004 1.00 27.11 H new -ATOM 0 HE1 PHE D 147 -18.199 38.486 -77.464 1.00 42.95 H new -ATOM 0 HE2 PHE D 147 -17.078 37.809 -81.550 1.00 30.59 H new -ATOM 0 HZ PHE D 147 -17.544 36.926 -79.283 1.00 37.69 H new -ATOM 787 N SER D 148 -19.501 44.813 -79.767 1.00 34.85 -ATOM 788 CA SER D 148 -19.622 46.261 -79.692 1.00 43.15 -ATOM 789 C SER D 148 -18.256 46.931 -79.764 1.00 38.16 -ATOM 790 O SER D 148 -18.100 47.969 -80.397 1.00 47.13 -ATOM 791 CB SER D 148 -20.364 46.670 -78.416 1.00 35.44 -ATOM 792 OG SER D 148 -19.982 45.845 -77.332 1.00 47.49 -ATOM 0 H SER D 148 -19.566 44.339 -78.889 1.00 34.85 H new -ATOM 0 HA SER D 148 -20.207 46.601 -80.559 1.00 43.15 H new -ATOM 0 1HB SER D 148 -21.450 46.595 -78.576 1.00 35.44 H new -ATOM 0 2HB SER D 148 -20.145 47.722 -78.179 1.00 35.44 H new -ATOM 0 HG SER D 148 -20.474 46.127 -76.508 1.00 47.49 H new -ATOM 793 N LYS D 149 -17.277 46.337 -79.091 1.00 41.47 -ATOM 794 CA LYS D 149 -15.905 46.816 -79.125 1.00 24.19 -ATOM 795 C LYS D 149 -15.131 45.747 -79.862 1.00 37.18 -ATOM 796 O LYS D 149 -15.557 44.596 -79.907 1.00 34.63 -ATOM 797 CB LYS D 149 -15.359 46.982 -77.710 1.00 34.31 -ATOM 798 CG LYS D 149 -16.248 47.814 -76.787 1.00 33.73 -ATOM 799 CD LYS D 149 -16.220 49.278 -77.189 1.00 44.38 -ATOM 800 CE LYS D 149 -17.001 50.152 -76.227 1.00 56.70 -ATOM 801 NZ LYS D 149 -16.918 51.596 -76.614 1.00 63.70 -ATOM 0 H LYS D 149 -17.412 45.527 -78.520 1.00 41.47 H new -ATOM 0 HA LYS D 149 -15.827 47.798 -79.615 1.00 24.19 H new -ATOM 0 1HB LYS D 149 -15.219 45.986 -77.265 1.00 34.31 H new -ATOM 0 2HB LYS D 149 -14.366 47.452 -77.765 1.00 34.31 H new -ATOM 0 1HG LYS D 149 -17.281 47.437 -76.827 1.00 33.73 H new -ATOM 0 2HG LYS D 149 -15.907 47.708 -75.747 1.00 33.73 H new -ATOM 0 1HD LYS D 149 -15.177 49.625 -77.232 1.00 44.38 H new -ATOM 0 2HD LYS D 149 -16.637 49.386 -78.201 1.00 44.38 H new -ATOM 0 1HE LYS D 149 -18.054 49.834 -76.211 1.00 56.70 H new -ATOM 0 2HE LYS D 149 -16.610 50.020 -75.207 1.00 56.70 H new -ATOM 0 1HZ LYS D 149 -17.672 52.099 -76.191 1.00 63.70 H + new -ATOM 0 2HZ LYS D 149 -16.047 51.976 -76.302 1.00 63.70 H + new -ATOM 0 3HZ LYS D 149 -16.980 51.679 -77.609 1.00 63.70 H + new -ATOM 802 N ARG D 150 -14.001 46.109 -80.454 1.00 46.84 -ATOM 803 CA ARG D 150 -13.272 45.134 -81.254 1.00 39.85 -ATOM 804 C ARG D 150 -12.477 44.174 -80.380 1.00 26.26 -ATOM 805 O ARG D 150 -11.831 44.590 -79.416 1.00 26.35 -ATOM 806 CB ARG D 150 -12.366 45.824 -82.275 1.00 35.98 -ATOM 807 CG ARG D 150 -11.143 46.487 -81.686 1.00 39.70 -ATOM 808 CD ARG D 150 -10.106 46.746 -82.771 1.00 51.17 -ATOM 809 NE ARG D 150 -8.877 47.304 -82.217 1.00 57.01 -ATOM 810 CZ ARG D 150 -7.880 46.573 -81.737 1.00 59.11 -ATOM 811 NH1 ARG D 150 -7.965 45.247 -81.747 1.00 56.49 -ATOM 812 NH2 ARG D 150 -6.797 47.166 -81.247 1.00 53.10 -ATOM 0 H ARG D 150 -13.589 47.018 -80.401 1.00 46.84 H new -ATOM 0 HA ARG D 150 -14.016 44.541 -81.806 1.00 39.85 H new -ATOM 0 1HB ARG D 150 -12.041 45.081 -83.018 1.00 35.98 H new -ATOM 0 2HB ARG D 150 -12.954 46.582 -82.813 1.00 35.98 H new -ATOM 0 1HG ARG D 150 -11.427 47.435 -81.206 1.00 39.70 H new -ATOM 0 2HG ARG D 150 -10.712 45.847 -80.902 1.00 39.70 H new -ATOM 0 1HD ARG D 150 -9.879 45.806 -83.295 1.00 51.17 H new -ATOM 0 2HD ARG D 150 -10.520 47.439 -83.518 1.00 51.17 H new -ATOM 0 HE ARG D 150 -8.780 48.299 -82.198 1.00 57.01 H + new -ATOM 0 1HH1 ARG D 150 -8.780 44.801 -82.116 1.00 56.49 H + new -ATOM 0 2HH1 ARG D 150 -7.214 44.695 -81.385 1.00 56.49 H + new -ATOM 0 1HH2 ARG D 150 -6.733 48.164 -81.240 1.00 53.10 H + new -ATOM 0 2HH2 ARG D 150 -6.045 46.614 -80.885 1.00 53.10 H + new -ATOM 813 N PRO D 151 -12.545 42.878 -80.705 1.00 19.29 -ATOM 814 CA PRO D 151 -11.726 41.866 -80.036 1.00 24.84 -ATOM 815 C PRO D 151 -10.251 42.236 -80.113 1.00 30.04 -ATOM 816 O PRO D 151 -9.812 42.816 -81.100 1.00 31.84 -ATOM 817 CB PRO D 151 -11.992 40.608 -80.861 1.00 9.63 -ATOM 818 CG PRO D 151 -13.353 40.815 -81.396 1.00 21.58 -ATOM 819 CD PRO D 151 -13.473 42.278 -81.677 1.00 28.68 -ATOM 0 HA PRO D 151 -11.966 41.753 -78.968 1.00 24.84 H new -ATOM 0 1HB PRO D 151 -11.255 40.492 -81.669 1.00 9.63 H new -ATOM 0 2HB PRO D 151 -11.936 39.701 -80.242 1.00 9.63 H new -ATOM 0 1HG PRO D 151 -13.509 40.225 -82.311 1.00 21.58 H new -ATOM 0 2HG PRO D 151 -14.114 40.491 -80.671 1.00 21.58 H new -ATOM 0 1HD PRO D 151 -13.190 42.519 -82.712 1.00 28.68 H new -ATOM 0 2HD PRO D 151 -14.503 42.638 -81.533 1.00 28.68 H new -ATOM 820 N ASN D 152 -9.495 41.909 -79.076 1.00 24.89 -ATOM 821 CA ASN D 152 -8.069 42.141 -79.108 1.00 21.28 -ATOM 822 C ASN D 152 -7.245 40.870 -78.926 1.00 19.23 -ATOM 823 O ASN D 152 -6.192 40.709 -79.540 1.00 21.77 -ATOM 824 CB ASN D 152 -7.674 43.177 -78.078 1.00 20.60 -ATOM 825 CG ASN D 152 -6.418 43.904 -78.460 1.00 28.74 -ATOM 826 OD1 ASN D 152 -6.350 44.354 -79.709 1.00 36.58 flip -ATOM 827 ND2 ASN D 152 -5.504 44.041 -77.655 1.00 28.23 flip -ATOM 0 H ASN D 152 -9.837 41.496 -78.232 1.00 24.89 H new -ATOM 0 HA ASN D 152 -7.841 42.520 -80.115 1.00 21.28 H new -ATOM 0 1HB ASN D 152 -8.493 43.902 -77.956 1.00 20.60 H new -ATOM 0 2HB ASN D 152 -7.530 42.687 -77.104 1.00 20.60 H new -ATOM 0 1HD2 ASN D 152 -4.663 44.508 -77.928 1.00 28.23 H new -ATOM 0 2HD2 ASN D 152 -5.599 43.686 -76.725 1.00 28.23 H new -ATOM 828 N ALA D 153 -7.726 39.971 -78.083 1.00 17.39 -ATOM 829 CA ALA D 153 -7.060 38.702 -77.870 1.00 15.94 -ATOM 830 C ALA D 153 -8.138 37.659 -77.693 1.00 21.87 -ATOM 831 O ALA D 153 -9.251 37.994 -77.295 1.00 22.61 -ATOM 832 CB ALA D 153 -6.163 38.766 -76.656 1.00 9.88 -ATOM 0 H ALA D 153 -8.560 40.097 -77.546 1.00 17.39 H new -ATOM 0 HA ALA D 153 -6.418 38.450 -78.727 1.00 15.94 H new -ATOM 0 1HB ALA D 153 -5.668 37.794 -76.513 1.00 9.88 H new -ATOM 0 2HB ALA D 153 -5.402 39.546 -76.803 1.00 9.88 H new -ATOM 0 3HB ALA D 153 -6.765 39.005 -75.767 1.00 9.88 H new -ATOM 833 N ILE D 154 -7.818 36.412 -78.021 1.00 16.26 -ATOM 834 CA ILE D 154 -8.747 35.310 -77.872 1.00 11.43 -ATOM 835 C ILE D 154 -8.047 34.050 -77.402 1.00 14.64 -ATOM 836 O ILE D 154 -6.828 33.919 -77.508 1.00 19.15 -ATOM 837 CB ILE D 154 -9.490 35.005 -79.177 1.00 17.51 -ATOM 838 CG1 ILE D 154 -8.510 34.518 -80.253 1.00 19.50 -ATOM 839 CG2 ILE D 154 -10.255 36.223 -79.644 1.00 10.98 -ATOM 840 CD1 ILE D 154 -9.156 34.319 -81.600 1.00 15.94 -ATOM 0 H ILE D 154 -6.926 36.148 -78.389 1.00 16.26 H new -ATOM 0 HA ILE D 154 -9.476 35.628 -77.112 1.00 11.43 H new -ATOM 0 HB ILE D 154 -10.215 34.199 -78.991 1.00 17.51 H new -ATOM 0 1HG1 ILE D 154 -7.691 35.246 -80.350 1.00 19.50 H new -ATOM 0 2HG1 ILE D 154 -8.059 33.569 -79.926 1.00 19.50 H new -ATOM 0 1HG2 ILE D 154 -10.782 35.989 -80.580 1.00 10.98 H new -ATOM 0 2HG2 ILE D 154 -10.986 36.515 -78.875 1.00 10.98 H new -ATOM 0 3HG2 ILE D 154 -9.554 37.053 -79.816 1.00 10.98 H new -ATOM 0 1HD1 ILE D 154 -8.402 33.971 -82.321 1.00 15.94 H new -ATOM 0 2HD1 ILE D 154 -9.956 33.569 -81.516 1.00 15.94 H new -ATOM 0 3HD1 ILE D 154 -9.582 35.272 -81.947 1.00 15.94 H new -ATOM 841 N SER D 155 -8.834 33.127 -76.871 1.00 14.27 -ATOM 842 CA SER D 155 -8.343 31.831 -76.450 1.00 14.64 -ATOM 843 C SER D 155 -9.518 30.876 -76.575 1.00 22.82 -ATOM 844 O SER D 155 -10.652 31.246 -76.288 1.00 19.28 -ATOM 845 CB SER D 155 -7.861 31.898 -75.003 1.00 20.37 -ATOM 846 OG SER D 155 -7.129 30.735 -74.649 1.00 21.39 -ATOM 0 H SER D 155 -9.815 33.257 -76.724 1.00 14.27 H new -ATOM 0 HA SER D 155 -7.492 31.500 -77.064 1.00 14.64 H new -ATOM 0 1HB SER D 155 -8.725 32.009 -74.331 1.00 20.37 H new -ATOM 0 2HB SER D 155 -7.229 32.788 -74.865 1.00 20.37 H new -ATOM 0 HG SER D 155 -6.163 30.969 -74.538 1.00 21.39 H new -ATOM 847 N ILE D 156 -9.273 29.655 -77.036 1.00 34.60 -ATOM 848 CA ILE D 156 -10.350 28.678 -77.055 1.00 34.58 -ATOM 849 C ILE D 156 -10.380 27.933 -75.735 1.00 34.98 -ATOM 850 O ILE D 156 -9.337 27.638 -75.162 1.00 32.30 -ATOM 851 CB ILE D 156 -10.236 27.662 -78.194 1.00 40.08 -ATOM 852 CG1 ILE D 156 -9.863 28.341 -79.512 1.00 42.65 -ATOM 853 CG2 ILE D 156 -11.546 26.901 -78.342 1.00 43.50 -ATOM 854 CD1 ILE D 156 -8.450 28.083 -79.923 1.00 46.63 -ATOM 0 H ILE D 156 -8.391 29.334 -77.382 1.00 34.60 H new -ATOM 0 HA ILE D 156 -11.280 29.243 -77.218 1.00 34.58 H new -ATOM 0 HB ILE D 156 -9.432 26.954 -77.944 1.00 40.08 H new -ATOM 0 1HG1 ILE D 156 -10.540 27.988 -80.304 1.00 42.65 H new -ATOM 0 2HG1 ILE D 156 -10.019 29.426 -79.416 1.00 42.65 H new -ATOM 0 1HG2 ILE D 156 -11.457 26.173 -79.162 1.00 43.50 H new -ATOM 0 2HG2 ILE D 156 -11.771 26.371 -77.405 1.00 43.50 H new -ATOM 0 3HG2 ILE D 156 -12.358 27.608 -78.567 1.00 43.50 H new -ATOM 0 1HD1 ILE D 156 -8.245 28.596 -80.874 1.00 46.63 H new -ATOM 0 2HD1 ILE D 156 -7.767 28.461 -79.148 1.00 46.63 H new -ATOM 0 3HD1 ILE D 156 -8.296 27.001 -80.050 1.00 46.63 H new -ATOM 855 N ALA D 157 -11.583 27.641 -75.252 1.00 43.84 -ATOM 856 CA ALA D 157 -11.749 26.918 -73.997 1.00 57.13 -ATOM 857 C ALA D 157 -11.407 25.440 -74.144 1.00 58.49 -ATOM 858 O ALA D 157 -11.217 24.936 -75.259 1.00 40.79 -ATOM 859 CB ALA D 157 -13.168 27.092 -73.451 1.00 56.62 -ATOM 0 H ALA D 157 -12.441 27.889 -75.702 1.00 43.84 H new -ATOM 0 HA ALA D 157 -11.041 27.351 -73.275 1.00 57.13 H new -ATOM 0 1HB ALA D 157 -13.268 26.538 -72.506 1.00 56.62 H new -ATOM 0 2HB ALA D 157 -13.365 28.160 -73.273 1.00 56.62 H new -ATOM 0 3HB ALA D 157 -13.893 26.703 -74.182 1.00 56.62 H new -ATOM 860 N GLU D 158 -11.327 24.759 -73.005 1.00 55.87 -ATOM 861 CA GLU D 158 -10.998 23.342 -72.970 1.00 68.66 -ATOM 862 C GLU D 158 -11.978 22.530 -73.811 1.00 63.00 -ATOM 863 O GLU D 158 -11.581 21.598 -74.512 1.00 56.23 -ATOM 864 CB GLU D 158 -10.966 22.844 -71.523 1.00 60.38 -ATOM 865 CG GLU D 158 -9.664 23.166 -70.781 1.00 73.82 -ATOM 866 CD GLU D 158 -9.238 24.631 -70.878 1.00 77.66 -ATOM 867 OE1 GLU D 158 -10.053 25.512 -70.525 1.00 65.07 -ATOM 868 OE2 GLU D 158 -8.081 24.900 -71.289 1.00 60.40 -ATOM 0 H GLU D 158 -11.485 25.165 -72.105 1.00 55.87 H new -ATOM 0 HA GLU D 158 -9.998 23.205 -73.407 1.00 68.66 H new -ATOM 0 1HB GLU D 158 -11.809 23.290 -70.974 1.00 60.38 H new -ATOM 0 2HB GLU D 158 -11.119 21.755 -71.518 1.00 60.38 H new -ATOM 0 1HG GLU D 158 -9.783 22.899 -69.721 1.00 73.82 H new -ATOM 0 2HG GLU D 158 -8.859 22.534 -71.183 1.00 73.82 H new -ATOM 869 N ASP D 159 -13.251 22.917 -73.756 1.00 53.63 -ATOM 870 CA ASP D 159 -14.314 22.265 -74.522 1.00 52.03 -ATOM 871 C ASP D 159 -14.120 22.305 -76.041 1.00 47.30 -ATOM 872 O ASP D 159 -14.803 21.591 -76.769 1.00 46.00 -ATOM 873 CB ASP D 159 -15.679 22.864 -74.160 1.00 54.96 -ATOM 874 CG ASP D 159 -15.828 24.317 -74.602 1.00 57.01 -ATOM 875 OD1 ASP D 159 -16.869 24.916 -74.277 1.00 48.52 -ATOM 876 OD2 ASP D 159 -14.921 24.862 -75.269 1.00 50.14 -ATOM 0 H ASP D 159 -13.570 23.677 -73.190 1.00 53.63 H new -ATOM 0 HA ASP D 159 -14.269 21.204 -74.236 1.00 52.03 H new -ATOM 0 1HB ASP D 159 -16.473 22.262 -74.626 1.00 54.96 H new -ATOM 0 2HB ASP D 159 -15.824 22.801 -73.071 1.00 54.96 H new -ATOM 877 N ASP D 160 -13.207 23.157 -76.505 1.00 56.82 -ATOM 878 CA ASP D 160 -12.898 23.299 -77.931 1.00 40.45 -ATOM 879 C ASP D 160 -14.057 23.912 -78.744 1.00 34.83 -ATOM 880 O ASP D 160 -14.071 23.852 -79.975 1.00 41.51 -ATOM 881 CB ASP D 160 -12.440 21.952 -78.517 1.00 50.48 -ATOM 882 CG ASP D 160 -11.613 22.106 -79.791 1.00 64.09 -ATOM 883 OD1 ASP D 160 -11.205 23.244 -80.113 1.00 57.38 -ATOM 884 OD2 ASP D 160 -11.366 21.080 -80.467 1.00 64.21 -ATOM 0 H ASP D 160 -12.669 23.759 -75.915 1.00 56.82 H new -ATOM 0 HA ASP D 160 -12.068 24.017 -78.012 1.00 40.45 H new -ATOM 0 1HB ASP D 160 -11.846 21.414 -77.764 1.00 50.48 H new -ATOM 0 2HB ASP D 160 -13.323 21.333 -78.732 1.00 50.48 H new -ATOM 885 N THR D 161 -15.014 24.526 -78.057 1.00 32.45 -ATOM 886 CA THR D 161 -16.175 25.105 -78.731 1.00 44.26 -ATOM 887 C THR D 161 -16.480 26.522 -78.233 1.00 30.42 -ATOM 888 O THR D 161 -17.150 27.316 -78.895 1.00 20.33 -ATOM 889 CB THR D 161 -17.415 24.220 -78.537 1.00 39.70 -ATOM 890 OG1 THR D 161 -18.419 24.587 -79.486 1.00 50.18 -ATOM 891 CG2 THR D 161 -17.965 24.372 -77.134 1.00 42.33 -ATOM 0 H THR D 161 -15.012 24.634 -77.063 1.00 32.45 H new -ATOM 0 HA THR D 161 -15.926 25.161 -79.801 1.00 44.26 H new -ATOM 0 HB THR D 161 -17.125 23.170 -78.690 1.00 39.70 H new -ATOM 0 HG1 THR D 161 -19.007 25.294 -79.093 1.00 50.18 H new -ATOM 0 1HG2 THR D 161 -18.851 23.731 -77.016 1.00 42.33 H new -ATOM 0 2HG2 THR D 161 -17.198 24.074 -76.404 1.00 42.33 H new -ATOM 0 3HG2 THR D 161 -18.246 25.421 -76.962 1.00 42.33 H new -ATOM 892 N THR D 162 -15.976 26.824 -77.049 1.00 33.52 -ATOM 893 CA THR D 162 -16.167 28.125 -76.447 1.00 29.55 -ATOM 894 C THR D 162 -14.933 28.983 -76.645 1.00 24.77 -ATOM 895 O THR D 162 -13.816 28.580 -76.340 1.00 29.72 -ATOM 896 CB THR D 162 -16.452 27.997 -74.952 1.00 33.27 -ATOM 897 OG1 THR D 162 -17.731 27.381 -74.778 1.00 42.07 -ATOM 898 CG2 THR D 162 -16.455 29.370 -74.283 1.00 27.79 -ATOM 0 H THR D 162 -15.438 26.189 -76.495 1.00 33.52 H new -ATOM 0 HA THR D 162 -17.030 28.599 -76.938 1.00 29.55 H new -ATOM 0 HB THR D 162 -15.665 27.385 -74.487 1.00 33.27 H new -ATOM 0 HG1 THR D 162 -17.616 26.392 -74.689 1.00 42.07 H new -ATOM 0 1HG2 THR D 162 -16.662 29.255 -73.209 1.00 27.79 H new -ATOM 0 2HG2 THR D 162 -15.473 29.846 -74.418 1.00 27.79 H new -ATOM 0 3HG2 THR D 162 -17.233 29.999 -74.740 1.00 27.79 H new -ATOM 899 N VAL D 163 -15.145 30.176 -77.166 1.00 24.36 -ATOM 900 CA VAL D 163 -14.057 31.090 -77.437 1.00 22.16 -ATOM 901 C VAL D 163 -14.106 32.244 -76.457 1.00 21.84 -ATOM 902 O VAL D 163 -15.145 32.859 -76.259 1.00 10.98 -ATOM 903 CB VAL D 163 -14.157 31.619 -78.872 1.00 24.85 -ATOM 904 CG1 VAL D 163 -13.212 32.796 -79.088 1.00 16.77 -ATOM 905 CG2 VAL D 163 -13.882 30.486 -79.856 1.00 23.76 -ATOM 0 H VAL D 163 -16.050 30.528 -77.406 1.00 24.36 H new -ATOM 0 HA VAL D 163 -13.102 30.556 -77.322 1.00 22.16 H new -ATOM 0 HB VAL D 163 -15.177 31.991 -79.048 1.00 24.85 H new -ATOM 0 1HG1 VAL D 163 -13.304 33.155 -80.124 1.00 16.77 H new -ATOM 0 2HG1 VAL D 163 -13.473 33.609 -78.394 1.00 16.77 H new -ATOM 0 3HG1 VAL D 163 -12.177 32.474 -78.902 1.00 16.77 H new -ATOM 0 1HG2 VAL D 163 -13.954 30.868 -80.885 1.00 23.76 H new -ATOM 0 2HG2 VAL D 163 -12.872 30.087 -79.684 1.00 23.76 H new -ATOM 0 3HG2 VAL D 163 -14.622 29.685 -79.710 1.00 23.76 H new -ATOM 906 N ILE D 164 -12.977 32.521 -75.824 1.00 21.17 -ATOM 907 CA ILE D 164 -12.877 33.665 -74.943 1.00 12.31 -ATOM 908 C ILE D 164 -12.349 34.865 -75.713 1.00 21.48 -ATOM 909 O ILE D 164 -11.232 34.851 -76.224 1.00 20.96 -ATOM 910 CB ILE D 164 -11.979 33.372 -73.744 1.00 13.36 -ATOM 911 CG1 ILE D 164 -12.468 32.113 -73.022 1.00 19.59 -ATOM 912 CG2 ILE D 164 -11.954 34.550 -72.806 1.00 14.29 -ATOM 913 CD1 ILE D 164 -13.948 32.151 -72.622 1.00 13.66 -ATOM 0 H ILE D 164 -12.139 31.981 -75.904 1.00 21.17 H new -ATOM 0 HA ILE D 164 -13.884 33.889 -74.560 1.00 12.31 H new -ATOM 0 HB ILE D 164 -10.953 33.197 -74.100 1.00 13.36 H new -ATOM 0 1HG1 ILE D 164 -12.298 31.242 -73.672 1.00 19.59 H new -ATOM 0 2HG1 ILE D 164 -11.860 31.963 -72.118 1.00 19.59 H new -ATOM 0 1HG2 ILE D 164 -11.303 34.323 -71.949 1.00 14.29 H new -ATOM 0 2HG2 ILE D 164 -11.567 35.433 -73.336 1.00 14.29 H new -ATOM 0 3HG2 ILE D 164 -12.973 34.756 -72.448 1.00 14.29 H new -ATOM 0 1HD1 ILE D 164 -14.215 31.214 -72.112 1.00 13.66 H new -ATOM 0 2HD1 ILE D 164 -14.124 32.999 -71.944 1.00 13.66 H new -ATOM 0 3HD1 ILE D 164 -14.569 32.267 -73.523 1.00 13.66 H new -ATOM 914 N ILE D 165 -13.172 35.904 -75.794 1.00 23.48 -ATOM 915 CA ILE D 165 -12.811 37.130 -76.489 1.00 19.41 -ATOM 916 C ILE D 165 -12.521 38.233 -75.475 1.00 23.34 -ATOM 917 O ILE D 165 -13.366 38.555 -74.657 1.00 18.96 -ATOM 918 CB ILE D 165 -13.949 37.590 -77.434 1.00 27.01 -ATOM 919 CG1 ILE D 165 -14.324 36.476 -78.411 1.00 27.05 -ATOM 920 CG2 ILE D 165 -13.567 38.835 -78.193 1.00 20.09 -ATOM 921 CD1 ILE D 165 -15.363 35.526 -77.860 1.00 38.50 -ATOM 0 H ILE D 165 -14.086 35.919 -75.389 1.00 23.48 H new -ATOM 0 HA ILE D 165 -11.913 36.930 -77.092 1.00 19.41 H new -ATOM 0 HB ILE D 165 -14.822 37.825 -76.808 1.00 27.01 H new -ATOM 0 1HG1 ILE D 165 -14.703 36.925 -79.341 1.00 27.05 H new -ATOM 0 2HG1 ILE D 165 -13.420 35.908 -78.674 1.00 27.05 H new -ATOM 0 1HG2 ILE D 165 -14.396 39.132 -78.852 1.00 20.09 H new -ATOM 0 2HG2 ILE D 165 -13.355 39.648 -77.483 1.00 20.09 H new -ATOM 0 3HG2 ILE D 165 -12.671 38.635 -78.799 1.00 20.09 H new -ATOM 0 1HD1 ILE D 165 -15.587 34.752 -78.609 1.00 38.50 H new -ATOM 0 2HD1 ILE D 165 -14.978 35.050 -76.946 1.00 38.50 H new -ATOM 0 3HD1 ILE D 165 -16.281 36.083 -77.623 1.00 38.50 H new -ATOM 922 N ALA D 166 -11.317 38.798 -75.515 1.00 25.88 -ATOM 923 CA ALA D 166 -10.985 39.954 -74.681 1.00 17.00 -ATOM 924 C ALA D 166 -10.960 41.210 -75.549 1.00 22.15 -ATOM 925 O ALA D 166 -10.237 41.267 -76.534 1.00 13.77 -ATOM 926 CB ALA D 166 -9.656 39.754 -74.001 1.00 15.06 -ATOM 0 H ALA D 166 -10.571 38.483 -76.102 1.00 25.88 H new -ATOM 0 HA ALA D 166 -11.750 40.068 -73.899 1.00 17.00 H new -ATOM 0 1HB ALA D 166 -9.425 40.632 -73.380 1.00 15.06 H new -ATOM 0 2HB ALA D 166 -9.700 38.857 -73.365 1.00 15.06 H new -ATOM 0 3HB ALA D 166 -8.871 39.626 -74.760 1.00 15.06 H new -ATOM 927 N ASP D 167 -11.765 42.212 -75.207 1.00 19.49 -ATOM 928 CA ASP D 167 -11.888 43.371 -76.082 1.00 18.88 -ATOM 929 C ASP D 167 -11.019 44.547 -75.683 1.00 23.25 -ATOM 930 O ASP D 167 -10.406 44.545 -74.615 1.00 24.77 -ATOM 931 CB ASP D 167 -13.349 43.787 -76.317 1.00 30.28 -ATOM 932 CG ASP D 167 -13.933 44.648 -75.193 1.00 31.35 -ATOM 933 OD1 ASP D 167 -13.193 45.159 -74.329 1.00 22.42 -ATOM 934 OD2 ASP D 167 -15.169 44.818 -75.189 1.00 35.86 -ATOM 0 H ASP D 167 -12.315 42.245 -74.373 1.00 19.49 H new -ATOM 0 HA ASP D 167 -11.490 43.029 -77.049 1.00 18.88 H new -ATOM 0 1HB ASP D 167 -13.415 44.343 -77.264 1.00 30.28 H new -ATOM 0 2HB ASP D 167 -13.964 42.882 -76.431 1.00 30.28 H new -ATOM 935 N LYS D 168 -10.977 45.535 -76.576 1.00 26.94 -ATOM 936 CA LYS D 168 -10.194 46.758 -76.424 1.00 32.24 -ATOM 937 C LYS D 168 -10.523 47.534 -75.149 1.00 34.01 -ATOM 938 O LYS D 168 -9.663 48.220 -74.606 1.00 39.46 -ATOM 939 CB LYS D 168 -10.423 47.642 -77.655 1.00 45.59 -ATOM 940 CG LYS D 168 -9.560 48.891 -77.759 1.00 67.76 -ATOM 941 CD LYS D 168 -9.822 49.619 -79.089 1.00 70.45 -ATOM 942 CE LYS D 168 -9.002 50.908 -79.232 1.00 68.57 -ATOM 943 NZ LYS D 168 -9.465 52.001 -78.326 1.00 62.00 -ATOM 0 H LYS D 168 -11.492 45.505 -77.433 1.00 26.94 H new -ATOM 0 HA LYS D 168 -9.136 46.468 -76.338 1.00 32.24 H new -ATOM 0 1HB LYS D 168 -10.256 47.031 -78.554 1.00 45.59 H new -ATOM 0 2HB LYS D 168 -11.479 47.950 -77.667 1.00 45.59 H new -ATOM 0 1HG LYS D 168 -9.776 49.565 -76.917 1.00 67.76 H new -ATOM 0 2HG LYS D 168 -8.497 48.617 -77.687 1.00 67.76 H new -ATOM 0 1HD LYS D 168 -9.584 48.944 -79.924 1.00 70.45 H new -ATOM 0 2HD LYS D 168 -10.892 49.860 -79.165 1.00 70.45 H new -ATOM 0 1HE LYS D 168 -7.945 50.688 -79.021 1.00 68.57 H new -ATOM 0 2HE LYS D 168 -9.056 51.256 -80.274 1.00 68.57 H new -ATOM 0 1HZ LYS D 168 -8.896 52.812 -78.463 1.00 62.00 H + new -ATOM 0 2HZ LYS D 168 -10.418 52.224 -78.532 1.00 62.00 H + new -ATOM 0 3HZ LYS D 168 -9.392 51.700 -77.375 1.00 62.00 H + new -ATOM 944 N PHE D 169 -11.757 47.418 -74.667 1.00 23.06 -ATOM 945 CA PHE D 169 -12.210 48.216 -73.530 1.00 28.99 -ATOM 946 C PHE D 169 -12.073 47.547 -72.168 1.00 25.12 -ATOM 947 O PHE D 169 -12.333 48.164 -71.147 1.00 23.03 -ATOM 948 CB PHE D 169 -13.641 48.714 -73.747 1.00 41.72 -ATOM 949 CG PHE D 169 -13.715 49.976 -74.554 1.00 65.58 -ATOM 950 CD1 PHE D 169 -13.181 50.025 -75.839 1.00 61.94 -ATOM 951 CD2 PHE D 169 -14.298 51.119 -74.025 1.00 71.77 -ATOM 952 CE1 PHE D 169 -13.234 51.189 -76.589 1.00 63.53 -ATOM 953 CE2 PHE D 169 -14.354 52.292 -74.768 1.00 92.36 -ATOM 954 CZ PHE D 169 -13.822 52.325 -76.054 1.00 94.60 -ATOM 0 H PHE D 169 -12.446 46.794 -75.036 1.00 23.06 H new -ATOM 0 HA PHE D 169 -11.518 49.070 -73.496 1.00 28.99 H new -ATOM 0 1HB PHE D 169 -14.222 47.929 -74.253 1.00 41.72 H new -ATOM 0 2HB PHE D 169 -14.115 48.884 -72.769 1.00 41.72 H new -ATOM 0 HD1 PHE D 169 -12.710 49.127 -76.265 1.00 61.94 H new -ATOM 0 HD2 PHE D 169 -14.719 51.096 -73.009 1.00 71.77 H new -ATOM 0 HE1 PHE D 169 -12.811 51.212 -77.604 1.00 63.53 H new -ATOM 0 HE2 PHE D 169 -14.818 53.193 -74.341 1.00 92.36 H new -ATOM 0 HZ PHE D 169 -13.868 53.251 -76.645 1.00 94.60 H new -ATOM 955 N GLY D 170 -11.660 46.289 -72.145 1.00 24.79 -ATOM 956 CA GLY D 170 -11.430 45.622 -70.878 1.00 24.71 -ATOM 957 C GLY D 170 -12.434 44.554 -70.496 1.00 13.87 -ATOM 958 O GLY D 170 -12.305 43.940 -69.449 1.00 10.94 -ATOM 0 H GLY D 170 -11.484 45.732 -72.957 1.00 24.79 H new -ATOM 0 1HA GLY D 170 -10.430 45.164 -70.904 1.00 24.71 H new -ATOM 0 2HA GLY D 170 -11.415 46.383 -70.084 1.00 24.71 H new -ATOM 959 N ASP D 171 -13.429 44.323 -71.341 1.00 13.54 -ATOM 960 CA ASP D 171 -14.412 43.271 -71.087 1.00 16.29 -ATOM 961 C ASP D 171 -13.997 41.962 -71.735 1.00 22.54 -ATOM 962 O ASP D 171 -13.287 41.950 -72.740 1.00 14.16 -ATOM 963 CB ASP D 171 -15.792 43.685 -71.596 1.00 13.33 -ATOM 964 CG ASP D 171 -16.294 44.952 -70.929 1.00 32.10 -ATOM 965 OD1 ASP D 171 -16.294 45.017 -69.676 1.00 31.86 -ATOM 966 OD2 ASP D 171 -16.677 45.886 -71.658 1.00 37.44 -ATOM 0 H ASP D 171 -13.576 44.835 -72.188 1.00 13.54 H new -ATOM 0 HA ASP D 171 -14.462 43.121 -69.998 1.00 16.29 H new -ATOM 0 1HB ASP D 171 -15.748 43.839 -72.684 1.00 13.33 H new -ATOM 0 2HB ASP D 171 -16.507 42.869 -71.415 1.00 13.33 H new -ATOM 967 N VAL D 172 -14.450 40.861 -71.150 1.00 18.18 -ATOM 968 CA VAL D 172 -14.193 39.544 -71.682 1.00 12.48 -ATOM 969 C VAL D 172 -15.524 38.853 -71.923 1.00 15.86 -ATOM 970 O VAL D 172 -16.363 38.790 -71.028 1.00 19.47 -ATOM 971 CB VAL D 172 -13.358 38.723 -70.703 1.00 10.85 -ATOM 972 CG1 VAL D 172 -13.155 37.328 -71.235 1.00 13.78 -ATOM 973 CG2 VAL D 172 -12.036 39.416 -70.444 1.00 7.39 -ATOM 0 H VAL D 172 -14.994 40.864 -70.311 1.00 18.18 H new -ATOM 0 HA VAL D 172 -13.632 39.633 -72.624 1.00 12.48 H new -ATOM 0 HB VAL D 172 -13.893 38.642 -69.745 1.00 10.85 H new -ATOM 0 1HG1 VAL D 172 -12.552 36.747 -70.521 1.00 13.78 H new -ATOM 0 2HG1 VAL D 172 -14.132 36.841 -71.371 1.00 13.78 H new -ATOM 0 3HG1 VAL D 172 -12.632 37.376 -72.202 1.00 13.78 H new -ATOM 0 1HG2 VAL D 172 -11.440 38.819 -69.738 1.00 7.39 H new -ATOM 0 2HG2 VAL D 172 -11.485 39.521 -71.390 1.00 7.39 H new -ATOM 0 3HG2 VAL D 172 -12.221 40.412 -70.015 1.00 7.39 H new -ATOM 974 N TYR D 173 -15.724 38.342 -73.133 1.00 17.15 -ATOM 975 CA TYR D 173 -16.922 37.580 -73.452 1.00 17.13 -ATOM 976 C TYR D 173 -16.597 36.141 -73.794 1.00 18.64 -ATOM 977 O TYR D 173 -15.456 35.811 -74.091 1.00 18.48 -ATOM 978 CB TYR D 173 -17.674 38.216 -74.608 1.00 9.72 -ATOM 979 CG TYR D 173 -17.995 39.670 -74.368 1.00 17.69 -ATOM 980 CD1 TYR D 173 -17.056 40.650 -74.634 1.00 19.48 -ATOM 981 CD2 TYR D 173 -19.230 40.065 -73.879 1.00 19.90 -ATOM 982 CE1 TYR D 173 -17.331 41.980 -74.421 1.00 16.32 -ATOM 983 CE2 TYR D 173 -19.520 41.399 -73.654 1.00 24.53 -ATOM 984 CZ TYR D 173 -18.565 42.354 -73.929 1.00 31.84 -ATOM 985 OH TYR D 173 -18.832 43.687 -73.718 1.00 22.59 -ATOM 0 H TYR D 173 -15.083 38.441 -73.894 1.00 17.15 H new -ATOM 0 HA TYR D 173 -17.557 37.589 -72.554 1.00 17.13 H new -ATOM 0 1HB TYR D 173 -17.073 38.125 -75.525 1.00 9.72 H new -ATOM 0 2HB TYR D 173 -18.609 37.663 -74.780 1.00 9.72 H new -ATOM 0 HD1 TYR D 173 -16.069 40.359 -75.024 1.00 19.48 H new -ATOM 0 HD2 TYR D 173 -19.994 39.303 -73.666 1.00 19.90 H new -ATOM 0 HE1 TYR D 173 -16.570 42.743 -74.642 1.00 16.32 H new -ATOM 0 HE2 TYR D 173 -20.503 41.695 -73.259 1.00 24.53 H new -ATOM 0 HH TYR D 173 -19.761 43.789 -73.363 1.00 22.59 H new -ATOM 986 N SER D 174 -17.606 35.283 -73.717 1.00 21.29 -ATOM 987 CA SER D 174 -17.476 33.948 -74.232 1.00 20.45 -ATOM 988 C SER D 174 -18.505 33.766 -75.329 1.00 26.45 -ATOM 989 O SER D 174 -19.553 34.392 -75.317 1.00 31.00 -ATOM 990 CB SER D 174 -17.621 32.916 -73.127 1.00 22.94 -ATOM 991 OG SER D 174 -18.930 32.883 -72.649 1.00 25.19 -ATOM 0 H SER D 174 -18.496 35.492 -73.312 1.00 21.29 H new -ATOM 0 HA SER D 174 -16.471 33.797 -74.652 1.00 20.45 H new -ATOM 0 1HB SER D 174 -16.931 33.153 -72.304 1.00 22.94 H new -ATOM 0 2HB SER D 174 -17.339 31.923 -73.507 1.00 22.94 H new -ATOM 0 HG SER D 174 -19.004 32.197 -71.925 1.00 25.19 H new -ATOM 992 N ILE D 175 -18.165 32.934 -76.301 1.00 35.13 -ATOM 993 CA ILE D 175 -18.973 32.719 -77.485 1.00 23.75 -ATOM 994 C ILE D 175 -18.929 31.232 -77.761 1.00 30.53 -ATOM 995 O ILE D 175 -17.862 30.615 -77.691 1.00 28.11 -ATOM 996 CB ILE D 175 -18.365 33.457 -78.698 1.00 35.12 -ATOM 997 CG1 ILE D 175 -18.822 34.910 -78.714 1.00 44.49 -ATOM 998 CG2 ILE D 175 -18.764 32.795 -80.002 1.00 31.47 -ATOM 999 CD1 ILE D 175 -20.296 35.071 -78.974 1.00 48.51 -ATOM 0 H ILE D 175 -17.324 32.393 -76.287 1.00 35.13 H new -ATOM 0 HA ILE D 175 -19.996 33.091 -77.328 1.00 23.75 H new -ATOM 0 HB ILE D 175 -17.270 33.412 -78.600 1.00 35.12 H new -ATOM 0 1HG1 ILE D 175 -18.575 35.375 -77.748 1.00 44.49 H new -ATOM 0 2HG1 ILE D 175 -18.259 35.455 -79.486 1.00 44.49 H new -ATOM 0 1HG2 ILE D 175 -18.316 33.343 -80.844 1.00 31.47 H new -ATOM 0 2HG2 ILE D 175 -18.406 31.755 -80.010 1.00 31.47 H new -ATOM 0 3HG2 ILE D 175 -19.860 32.806 -80.099 1.00 31.47 H new -ATOM 0 1HD1 ILE D 175 -20.555 36.140 -78.972 1.00 48.51 H new -ATOM 0 2HD1 ILE D 175 -20.546 34.636 -79.953 1.00 48.51 H new -ATOM 0 3HD1 ILE D 175 -20.866 34.555 -78.188 1.00 48.51 H new -ATOM 1000 N ASP D 176 -20.083 30.645 -78.045 1.00 30.07 -ATOM 1001 CA ASP D 176 -20.114 29.282 -78.530 1.00 30.47 -ATOM 1002 C ASP D 176 -20.097 29.352 -80.040 1.00 37.03 -ATOM 1003 O ASP D 176 -21.032 29.867 -80.643 1.00 33.42 -ATOM 1004 CB ASP D 176 -21.359 28.546 -78.046 1.00 37.56 -ATOM 1005 CG ASP D 176 -21.509 27.170 -78.684 1.00 47.85 -ATOM 1006 OD1 ASP D 176 -20.488 26.571 -79.082 1.00 32.49 -ATOM 1007 OD2 ASP D 176 -22.656 26.687 -78.793 1.00 58.43 -ATOM 0 H ASP D 176 -20.979 31.080 -77.950 1.00 30.07 H new -ATOM 0 HA ASP D 176 -19.248 28.723 -78.147 1.00 30.47 H new -ATOM 0 1HB ASP D 176 -21.314 28.436 -76.952 1.00 37.56 H new -ATOM 0 2HB ASP D 176 -22.250 29.151 -78.273 1.00 37.56 H new -ATOM 1008 N ILE D 177 -19.031 28.847 -80.653 1.00 38.43 -ATOM 1009 CA ILE D 177 -18.873 28.994 -82.094 1.00 35.54 -ATOM 1010 C ILE D 177 -19.876 28.149 -82.868 1.00 32.53 -ATOM 1011 O ILE D 177 -20.149 28.416 -84.025 1.00 31.45 -ATOM 1012 CB ILE D 177 -17.432 28.725 -82.553 1.00 34.71 -ATOM 1013 CG1 ILE D 177 -17.032 27.286 -82.301 1.00 23.79 -ATOM 1014 CG2 ILE D 177 -16.474 29.628 -81.816 1.00 36.81 -ATOM 1015 CD1 ILE D 177 -15.629 26.999 -82.782 1.00 31.31 -ATOM 0 H ILE D 177 -18.293 28.352 -80.194 1.00 38.43 H new -ATOM 0 HA ILE D 177 -19.090 30.047 -82.325 1.00 35.54 H new -ATOM 0 HB ILE D 177 -17.388 28.925 -83.634 1.00 34.71 H new -ATOM 0 1HG1 ILE D 177 -17.102 27.069 -81.225 1.00 23.79 H new -ATOM 0 2HG1 ILE D 177 -17.739 26.615 -82.811 1.00 23.79 H new -ATOM 0 1HG2 ILE D 177 -15.446 29.426 -82.153 1.00 36.81 H new -ATOM 0 2HG2 ILE D 177 -16.727 30.678 -82.022 1.00 36.81 H new -ATOM 0 3HG2 ILE D 177 -16.549 29.439 -80.735 1.00 36.81 H new -ATOM 0 1HD1 ILE D 177 -15.380 25.947 -82.580 1.00 31.31 H new -ATOM 0 2HD1 ILE D 177 -15.565 27.190 -83.863 1.00 31.31 H new -ATOM 0 3HD1 ILE D 177 -14.919 27.651 -82.253 1.00 31.31 H new -ATOM 1016 N ASN D 178 -20.454 27.148 -82.214 1.00 38.11 -ATOM 1017 CA ASN D 178 -21.545 26.383 -82.816 1.00 38.20 -ATOM 1018 C ASN D 178 -22.853 27.173 -82.956 1.00 46.20 -ATOM 1019 O ASN D 178 -23.677 26.881 -83.821 1.00 41.15 -ATOM 1020 CB ASN D 178 -21.801 25.105 -82.021 1.00 39.95 -ATOM 1021 CG ASN D 178 -20.725 24.070 -82.231 1.00 32.69 -ATOM 1022 OD1 ASN D 178 -20.048 24.069 -83.253 1.00 54.28 -ATOM 1023 ND2 ASN D 178 -20.559 23.183 -81.264 1.00 47.52 -ATOM 0 H ASN D 178 -20.195 26.853 -81.294 1.00 38.11 H new -ATOM 0 HA ASN D 178 -21.213 26.139 -83.836 1.00 38.20 H new -ATOM 0 1HB ASN D 178 -21.866 25.350 -80.951 1.00 39.95 H new -ATOM 0 2HB ASN D 178 -22.774 24.683 -82.314 1.00 39.95 H new -ATOM 0 1HD2 ASN D 178 -19.858 22.475 -81.350 1.00 47.52 H new -ATOM 0 2HD2 ASN D 178 -21.134 23.221 -80.447 1.00 47.52 H new -ATOM 1024 N SER D 179 -23.037 28.179 -82.109 1.00 32.22 -ATOM 1025 CA SER D 179 -24.287 28.917 -82.078 1.00 36.66 -ATOM 1026 C SER D 179 -24.436 29.832 -83.282 1.00 28.82 -ATOM 1027 O SER D 179 -23.472 30.106 -83.983 1.00 34.29 -ATOM 1028 CB SER D 179 -24.404 29.715 -80.779 1.00 31.20 -ATOM 1029 OG SER D 179 -23.693 30.930 -80.870 1.00 39.64 -ATOM 0 H SER D 179 -22.352 28.493 -81.452 1.00 32.22 H new -ATOM 0 HA SER D 179 -25.105 28.183 -82.121 1.00 36.66 H new -ATOM 0 1HB SER D 179 -24.014 29.119 -79.941 1.00 31.20 H new -ATOM 0 2HB SER D 179 -25.463 29.920 -80.563 1.00 31.20 H new -ATOM 0 HG SER D 179 -22.712 30.748 -80.806 1.00 39.64 H new -ATOM 1030 N ILE D 180 -25.659 30.295 -83.514 1.00 39.53 -ATOM 1031 CA ILE D 180 -25.955 31.180 -84.628 1.00 32.78 -ATOM 1032 C ILE D 180 -25.643 32.604 -84.228 1.00 35.18 -ATOM 1033 O ILE D 180 -26.123 33.066 -83.200 1.00 42.94 -ATOM 1034 CB ILE D 180 -27.433 31.080 -85.049 1.00 33.81 -ATOM 1035 CG1 ILE D 180 -27.766 29.642 -85.445 1.00 38.53 -ATOM 1036 CG2 ILE D 180 -27.731 32.013 -86.201 1.00 28.27 -ATOM 1037 CD1 ILE D 180 -29.237 29.330 -85.447 1.00 44.53 -ATOM 0 H ILE D 180 -26.452 30.072 -82.948 1.00 39.53 H new -ATOM 0 HA ILE D 180 -25.334 30.877 -85.484 1.00 32.78 H new -ATOM 0 HB ILE D 180 -28.057 31.377 -84.193 1.00 33.81 H new -ATOM 0 1HG1 ILE D 180 -27.359 29.446 -86.448 1.00 38.53 H new -ATOM 0 2HG1 ILE D 180 -27.258 28.955 -84.752 1.00 38.53 H new -ATOM 0 1HG2 ILE D 180 -28.791 31.923 -86.482 1.00 28.27 H new -ATOM 0 2HG2 ILE D 180 -27.519 33.049 -85.898 1.00 28.27 H new -ATOM 0 3HG2 ILE D 180 -27.100 31.747 -87.062 1.00 28.27 H new -ATOM 0 1HD1 ILE D 180 -29.389 28.281 -85.741 1.00 44.53 H new -ATOM 0 2HD1 ILE D 180 -29.648 29.491 -84.439 1.00 44.53 H new -ATOM 0 3HD1 ILE D 180 -29.751 29.989 -86.162 1.00 44.53 H new -ATOM 1038 N PRO D 181 -24.811 33.294 -85.029 1.00 47.65 -ATOM 1039 CA PRO D 181 -24.467 34.704 -84.805 1.00 51.47 -ATOM 1040 C PRO D 181 -25.703 35.592 -84.632 1.00 49.68 -ATOM 1041 O PRO D 181 -26.524 35.718 -85.539 1.00 48.58 -ATOM 1042 CB PRO D 181 -23.704 35.077 -86.078 1.00 39.03 -ATOM 1043 CG PRO D 181 -23.061 33.800 -86.496 1.00 35.37 -ATOM 1044 CD PRO D 181 -24.039 32.715 -86.146 1.00 36.23 -ATOM 0 HA PRO D 181 -23.891 34.849 -83.879 1.00 51.47 H new -ATOM 0 1HB PRO D 181 -24.380 35.462 -86.856 1.00 39.03 H new -ATOM 0 2HB PRO D 181 -22.957 35.861 -85.885 1.00 39.03 H new -ATOM 0 1HG PRO D 181 -22.844 33.802 -87.574 1.00 35.37 H new -ATOM 0 2HG PRO D 181 -22.104 33.651 -85.975 1.00 35.37 H new -ATOM 0 1HD PRO D 181 -24.687 32.463 -86.999 1.00 36.23 H new -ATOM 0 2HD PRO D 181 -23.527 31.789 -85.847 1.00 36.23 H new -ATOM 1045 N GLU D 182 -25.838 36.191 -83.456 1.00 63.20 -ATOM 1046 CA GLU D 182 -26.960 37.074 -83.183 1.00 59.41 -ATOM 1047 C GLU D 182 -26.725 38.400 -83.886 1.00 52.45 -ATOM 1048 O GLU D 182 -25.694 39.028 -83.692 1.00 42.78 -ATOM 1049 CB GLU D 182 -27.116 37.292 -81.679 1.00 47.86 -ATOM 1050 CG GLU D 182 -27.499 36.046 -80.906 1.00 74.51 -ATOM 1051 CD GLU D 182 -27.532 36.283 -79.410 1.00 89.61 -ATOM 1052 OE1 GLU D 182 -27.035 37.341 -78.972 1.00 79.96 -ATOM 1053 OE2 GLU D 182 -28.051 35.415 -78.675 1.00 90.69 -ATOM 0 H GLU D 182 -25.199 36.083 -82.695 1.00 63.20 H new -ATOM 0 HA GLU D 182 -27.887 36.615 -83.558 1.00 59.41 H new -ATOM 0 1HB GLU D 182 -26.170 37.683 -81.277 1.00 47.86 H new -ATOM 0 2HB GLU D 182 -27.881 38.064 -81.509 1.00 47.86 H new -ATOM 0 1HG GLU D 182 -28.487 35.699 -81.242 1.00 74.51 H new -ATOM 0 2HG GLU D 182 -26.782 35.243 -81.132 1.00 74.51 H new -ATOM 1054 N GLU D 183 -27.685 38.816 -84.705 1.00 60.98 -ATOM 1055 CA GLU D 183 -27.569 40.057 -85.465 1.00 61.36 -ATOM 1056 C GLU D 183 -27.175 41.250 -84.599 1.00 58.16 -ATOM 1057 O GLU D 183 -26.282 42.012 -84.955 1.00 40.05 -ATOM 1058 CB GLU D 183 -28.861 40.353 -86.234 1.00 67.39 -ATOM 1059 CG GLU D 183 -29.192 39.317 -87.312 1.00 88.57 -ATOM 1060 CD GLU D 183 -29.906 39.926 -88.514 1.00 96.11 -ATOM 1061 OE1 GLU D 183 -29.695 41.130 -88.782 1.00 90.04 -ATOM 1062 OE2 GLU D 183 -30.670 39.202 -89.196 1.00 79.49 -ATOM 0 H GLU D 183 -28.540 38.319 -84.857 1.00 60.98 H new -ATOM 0 HA GLU D 183 -26.752 39.903 -86.186 1.00 61.36 H new -ATOM 0 1HB GLU D 183 -29.697 40.405 -85.521 1.00 67.39 H new -ATOM 0 2HB GLU D 183 -28.777 41.344 -86.705 1.00 67.39 H new -ATOM 0 1HG GLU D 183 -28.263 38.834 -87.649 1.00 88.57 H new -ATOM 0 2HG GLU D 183 -29.824 38.529 -86.876 1.00 88.57 H new -ATOM 1063 N LYS D 184 -27.846 41.416 -83.465 1.00 66.51 -ATOM 1064 CA LYS D 184 -27.448 42.417 -82.476 1.00 57.15 -ATOM 1065 C LYS D 184 -26.899 41.673 -81.265 1.00 69.12 -ATOM 1066 O LYS D 184 -27.544 40.750 -80.759 1.00 89.27 -ATOM 1067 CB LYS D 184 -28.636 43.290 -82.055 1.00 64.30 -ATOM 1068 CG LYS D 184 -29.476 43.865 -83.194 1.00 60.61 -ATOM 1069 CD LYS D 184 -29.045 45.269 -83.597 1.00 49.75 -ATOM 1070 CE LYS D 184 -29.986 45.840 -84.656 1.00 53.40 -ATOM 1071 NZ LYS D 184 -29.410 47.001 -85.392 1.00 56.09 -ATOM 0 H LYS D 184 -28.652 40.882 -83.211 1.00 66.51 H new -ATOM 0 HA LYS D 184 -26.689 43.084 -82.911 1.00 57.15 H new -ATOM 0 1HB LYS D 184 -29.293 42.693 -81.406 1.00 64.30 H new -ATOM 0 2HB LYS D 184 -28.256 44.125 -81.448 1.00 64.30 H new -ATOM 0 1HG LYS D 184 -29.405 43.200 -84.067 1.00 60.61 H new -ATOM 0 2HG LYS D 184 -30.533 43.884 -82.890 1.00 60.61 H new -ATOM 0 1HD LYS D 184 -29.038 45.924 -82.713 1.00 49.75 H new -ATOM 0 2HD LYS D 184 -28.017 45.245 -83.987 1.00 49.75 H new -ATOM 0 1HE LYS D 184 -30.240 45.048 -85.376 1.00 53.40 H new -ATOM 0 2HE LYS D 184 -30.925 46.150 -84.174 1.00 53.40 H new -ATOM 0 1HZ LYS D 184 -30.070 47.329 -86.068 1.00 56.09 H + new -ATOM 0 2HZ LYS D 184 -29.202 47.736 -84.746 1.00 56.09 H + new -ATOM 0 3HZ LYS D 184 -28.570 46.719 -85.856 1.00 56.09 H + new -ATOM 1072 N PHE D 185 -25.718 42.063 -80.794 1.00 61.66 -ATOM 1073 CA PHE D 185 -25.057 41.304 -79.735 1.00 77.60 -ATOM 1074 C PHE D 185 -25.663 41.555 -78.363 1.00 81.34 -ATOM 1075 O PHE D 185 -25.763 42.693 -77.911 1.00 62.24 -ATOM 1076 CB PHE D 185 -23.548 41.552 -79.698 1.00 70.09 -ATOM 1077 CG PHE D 185 -22.803 40.574 -78.826 1.00 82.18 -ATOM 1078 CD1 PHE D 185 -22.875 39.207 -79.076 1.00 82.31 -ATOM 1079 CD2 PHE D 185 -22.042 41.016 -77.755 1.00 67.05 -ATOM 1080 CE1 PHE D 185 -22.201 38.300 -78.278 1.00 67.92 -ATOM 1081 CE2 PHE D 185 -21.368 40.117 -76.952 1.00 63.24 -ATOM 1082 CZ PHE D 185 -21.442 38.757 -77.219 1.00 71.75 -ATOM 0 H PHE D 185 -25.217 42.867 -81.114 1.00 61.66 H new -ATOM 0 HA PHE D 185 -25.226 40.247 -79.987 1.00 77.60 H new -ATOM 0 1HB PHE D 185 -23.149 41.497 -80.722 1.00 70.09 H new -ATOM 0 2HB PHE D 185 -23.360 42.573 -79.334 1.00 70.09 H new -ATOM 0 HD1 PHE D 185 -23.477 38.842 -79.921 1.00 82.31 H new -ATOM 0 HD2 PHE D 185 -21.974 42.093 -77.543 1.00 67.05 H new -ATOM 0 HE1 PHE D 185 -22.269 37.222 -78.486 1.00 67.92 H new -ATOM 0 HE2 PHE D 185 -20.773 40.479 -76.101 1.00 63.24 H new -ATOM 0 HZ PHE D 185 -20.895 38.042 -76.586 1.00 71.75 H new -ATOM 1083 N THR D 186 -26.042 40.469 -77.701 1.00 87.35 -ATOM 1084 CA THR D 186 -26.776 40.546 -76.450 1.00 84.43 -ATOM 1085 C THR D 186 -26.294 39.540 -75.404 1.00 97.75 -ATOM 1086 O THR D 186 -26.941 38.512 -75.165 1.00 90.42 -ATOM 1087 CB THR D 186 -28.283 40.347 -76.696 1.00 82.17 -ATOM 1088 OG1 THR D 186 -28.471 39.514 -77.847 1.00 84.03 -ATOM 1089 CG2 THR D 186 -28.953 41.682 -76.952 1.00 68.44 -ATOM 0 H THR D 186 -25.853 39.537 -78.009 1.00 87.35 H new -ATOM 0 HA THR D 186 -26.587 41.552 -76.047 1.00 84.43 H new -ATOM 0 HB THR D 186 -28.727 39.877 -75.806 1.00 82.17 H new -ATOM 0 HG1 THR D 186 -27.806 38.767 -77.831 1.00 84.03 H new -ATOM 0 1HG2 THR D 186 -30.028 41.526 -77.126 1.00 68.44 H new -ATOM 0 2HG2 THR D 186 -28.815 42.336 -76.078 1.00 68.44 H new -ATOM 0 3HG2 THR D 186 -28.503 42.155 -77.838 1.00 68.44 H new -ATOM 1090 N GLN D 187 -25.153 39.839 -74.791 1.00 72.22 -ATOM 1091 CA GLN D 187 -24.718 39.120 -73.600 1.00 71.51 -ATOM 1092 C GLN D 187 -23.680 39.930 -72.843 1.00 59.47 -ATOM 1093 O GLN D 187 -22.860 40.613 -73.445 1.00 59.85 -ATOM 1094 CB GLN D 187 -24.192 37.721 -73.932 1.00 78.75 -ATOM 1095 CG GLN D 187 -23.207 37.675 -75.075 1.00 81.18 -ATOM 1096 CD GLN D 187 -22.355 36.424 -75.063 1.00 81.34 -ATOM 1097 OE1 GLN D 187 -21.536 36.222 -74.162 1.00 72.01 -ATOM 1098 NE2 GLN D 187 -22.537 35.579 -76.070 1.00 80.92 -ATOM 0 H GLN D 187 -24.527 40.558 -75.093 1.00 72.22 H new -ATOM 0 HA GLN D 187 -25.598 38.984 -72.954 1.00 71.51 H new -ATOM 0 1HB GLN D 187 -23.713 37.302 -73.035 1.00 78.75 H new -ATOM 0 2HB GLN D 187 -25.045 37.071 -74.174 1.00 78.75 H new -ATOM 0 1HG GLN D 187 -23.754 37.732 -76.028 1.00 81.18 H new -ATOM 0 2HG GLN D 187 -22.554 38.559 -75.026 1.00 81.18 H new -ATOM 0 1HE2 GLN D 187 -21.999 34.738 -76.120 1.00 80.92 H new -ATOM 0 2HE2 GLN D 187 -23.212 35.784 -76.779 1.00 80.92 H new -ATOM 1099 N GLU D 188 -23.739 39.855 -71.517 1.00 48.84 -ATOM 1100 CA GLU D 188 -22.862 40.625 -70.643 1.00 45.41 -ATOM 1101 C GLU D 188 -21.469 40.000 -70.544 1.00 40.56 -ATOM 1102 O GLU D 188 -21.314 38.792 -70.698 1.00 34.42 -ATOM 1103 CB GLU D 188 -23.473 40.720 -69.238 1.00 58.37 -ATOM 1104 CG GLU D 188 -24.838 41.398 -69.155 1.00 60.52 -ATOM 1105 CD GLU D 188 -24.747 42.913 -69.086 1.00 90.73 -ATOM 1106 OE1 GLU D 188 -24.767 43.461 -67.961 1.00 98.35 -ATOM 1107 OE2 GLU D 188 -24.655 43.556 -70.155 1.00 77.44 -ATOM 0 H GLU D 188 -24.385 39.269 -71.028 1.00 48.84 H new -ATOM 0 HA GLU D 188 -22.760 41.629 -71.080 1.00 45.41 H new -ATOM 0 1HB GLU D 188 -23.564 39.703 -68.828 1.00 58.37 H new -ATOM 0 2HB GLU D 188 -22.772 41.267 -68.590 1.00 58.37 H new -ATOM 0 1HG GLU D 188 -25.437 41.112 -70.032 1.00 60.52 H new -ATOM 0 2HG GLU D 188 -25.371 41.028 -68.267 1.00 60.52 H new -ATOM 1108 N PRO D 189 -20.451 40.827 -70.263 1.00 37.73 -ATOM 1109 CA PRO D 189 -19.092 40.312 -70.063 1.00 30.09 -ATOM 1110 C PRO D 189 -19.050 39.252 -68.969 1.00 23.05 -ATOM 1111 O PRO D 189 -19.860 39.265 -68.051 1.00 34.12 -ATOM 1112 CB PRO D 189 -18.303 41.546 -69.615 1.00 17.89 -ATOM 1113 CG PRO D 189 -19.088 42.698 -70.101 1.00 32.01 -ATOM 1114 CD PRO D 189 -20.524 42.289 -70.108 1.00 27.40 -ATOM 0 HA PRO D 189 -18.694 39.834 -70.970 1.00 30.09 H new -ATOM 0 1HB PRO D 189 -18.192 41.572 -68.521 1.00 17.89 H new -ATOM 0 2HB PRO D 189 -17.289 41.547 -70.041 1.00 17.89 H new -ATOM 0 1HG PRO D 189 -18.937 43.572 -69.450 1.00 32.01 H new -ATOM 0 2HG PRO D 189 -18.763 42.990 -71.111 1.00 32.01 H new -ATOM 0 1HD PRO D 189 -21.033 42.575 -69.176 1.00 27.40 H new -ATOM 0 2HD PRO D 189 -21.077 42.759 -70.934 1.00 27.40 H new -ATOM 1115 N ILE D 190 -18.083 38.357 -69.078 1.00 25.71 -ATOM 1116 CA ILE D 190 -17.918 37.251 -68.161 1.00 22.44 -ATOM 1117 C ILE D 190 -17.025 37.761 -67.019 1.00 19.58 -ATOM 1118 O ILE D 190 -17.117 37.331 -65.878 1.00 17.02 -ATOM 1119 CB ILE D 190 -17.311 36.050 -68.933 1.00 35.04 -ATOM 1120 CG1 ILE D 190 -18.009 34.746 -68.584 1.00 35.80 -ATOM 1121 CG2 ILE D 190 -15.805 35.938 -68.751 1.00 23.44 -ATOM 1122 CD1 ILE D 190 -17.409 33.555 -69.339 1.00 72.10 -ATOM 0 H ILE D 190 -17.396 38.382 -69.804 1.00 25.71 H new -ATOM 0 HA ILE D 190 -18.866 36.895 -67.732 1.00 22.44 H new -ATOM 0 HB ILE D 190 -17.487 36.249 -70.001 1.00 35.04 H new -ATOM 0 1HG1 ILE D 190 -17.933 34.569 -67.501 1.00 35.80 H new -ATOM 0 2HG1 ILE D 190 -19.080 34.829 -68.822 1.00 35.80 H new -ATOM 0 1HG2 ILE D 190 -15.430 35.073 -69.318 1.00 23.44 H new -ATOM 0 2HG2 ILE D 190 -15.321 36.855 -69.119 1.00 23.44 H new -ATOM 0 3HG2 ILE D 190 -15.573 35.805 -67.684 1.00 23.44 H new -ATOM 0 1HD1 ILE D 190 -17.942 32.635 -69.057 1.00 72.10 H new -ATOM 0 2HD1 ILE D 190 -17.509 33.719 -70.422 1.00 72.10 H new -ATOM 0 3HD1 ILE D 190 -16.345 33.455 -69.080 1.00 72.10 H new -ATOM 1123 N LEU D 191 -16.149 38.690 -67.359 1.00 16.00 -ATOM 1124 CA LEU D 191 -15.408 39.465 -66.386 1.00 14.86 -ATOM 1125 C LEU D 191 -14.835 40.690 -67.109 1.00 17.77 -ATOM 1126 O LEU D 191 -15.072 40.867 -68.299 1.00 16.68 -ATOM 1127 CB LEU D 191 -14.353 38.634 -65.644 1.00 11.16 -ATOM 1128 CG LEU D 191 -12.976 38.129 -66.149 1.00 22.18 -ATOM 1129 CD1 LEU D 191 -13.089 36.899 -67.030 1.00 23.09 -ATOM 1130 CD2 LEU D 191 -12.126 39.182 -66.807 1.00 10.36 -ATOM 0 H LEU D 191 -15.936 38.923 -68.308 1.00 16.00 H new -ATOM 0 HA LEU D 191 -16.078 39.804 -65.582 1.00 14.86 H new -ATOM 0 1HB LEU D 191 -14.125 39.213 -64.737 1.00 11.16 H new -ATOM 0 2HB LEU D 191 -14.885 37.727 -65.321 1.00 11.16 H new -ATOM 0 HG LEU D 191 -12.447 37.843 -65.228 1.00 22.18 H new -ATOM 0 1HD1 LEU D 191 -12.086 36.588 -67.357 1.00 23.09 H new -ATOM 0 2HD1 LEU D 191 -13.559 36.082 -66.462 1.00 23.09 H new -ATOM 0 3HD1 LEU D 191 -13.705 37.134 -67.911 1.00 23.09 H new -ATOM 0 1HD2 LEU D 191 -11.174 38.736 -67.131 1.00 10.36 H new -ATOM 0 2HD2 LEU D 191 -12.656 39.589 -67.681 1.00 10.36 H new -ATOM 0 3HD2 LEU D 191 -11.925 39.992 -66.091 1.00 10.36 H new -ATOM 1131 N GLY D 192 -14.123 41.550 -66.390 1.00 15.37 -ATOM 1132 CA GLY D 192 -13.690 42.821 -66.949 1.00 10.75 -ATOM 1133 C GLY D 192 -12.642 43.545 -66.127 1.00 12.66 -ATOM 1134 O GLY D 192 -12.534 43.348 -64.918 1.00 15.97 -ATOM 0 H GLY D 192 -13.841 41.393 -65.443 1.00 15.37 H new -ATOM 0 1HA GLY D 192 -13.289 42.646 -67.958 1.00 10.75 H new -ATOM 0 2HA GLY D 192 -14.567 43.476 -67.060 1.00 10.75 H new -ATOM 1135 N HIS D 193 -11.853 44.367 -66.808 1.00 9.27 -ATOM 1136 CA HIS D 193 -10.902 45.281 -66.194 1.00 14.63 -ATOM 1137 C HIS D 193 -11.355 46.671 -66.648 1.00 22.11 -ATOM 1138 O HIS D 193 -12.102 46.794 -67.618 1.00 21.58 -ATOM 1139 CB HIS D 193 -9.488 45.075 -66.752 1.00 19.77 -ATOM 1140 CG HIS D 193 -8.884 43.741 -66.463 1.00 22.52 -ATOM 1141 ND1 HIS D 193 -7.548 43.589 -66.152 1.00 21.58 -ATOM 1142 CD2 HIS D 193 -9.417 42.494 -66.466 1.00 11.11 -ATOM 1143 CE1 HIS D 193 -7.290 42.308 -65.961 1.00 13.37 -ATOM 1144 NE2 HIS D 193 -8.410 41.625 -66.133 1.00 11.06 -ATOM 0 H HIS D 193 -11.858 44.416 -67.807 1.00 9.27 H new -ATOM 0 HA HIS D 193 -10.874 45.134 -65.104 1.00 14.63 H new -ATOM 0 1HB HIS D 193 -9.516 45.220 -67.842 1.00 19.77 H new -ATOM 0 2HB HIS D 193 -8.831 45.855 -66.341 1.00 19.77 H new -ATOM 0 HD1 HIS D 193 -6.881 44.331 -66.082 1.00 21.58 H new -ATOM 0 HD2 HIS D 193 -10.460 42.230 -66.693 1.00 11.11 H new -ATOM 0 HE1 HIS D 193 -6.310 41.881 -65.703 1.00 13.37 H new -ATOM 1145 N VAL D 194 -10.881 47.718 -65.986 1.00 18.39 -ATOM 1146 CA VAL D 194 -11.193 49.071 -66.431 1.00 27.27 -ATOM 1147 C VAL D 194 -10.054 49.621 -67.282 1.00 19.93 -ATOM 1148 O VAL D 194 -10.164 50.689 -67.880 1.00 60.59 -ATOM 1149 CB VAL D 194 -11.576 50.003 -65.246 1.00 27.18 -ATOM 1150 CG1 VAL D 194 -11.615 51.475 -65.671 1.00 13.76 -ATOM 1151 CG2 VAL D 194 -12.915 49.590 -64.697 1.00 17.37 -ATOM 0 H VAL D 194 -10.303 47.662 -65.172 1.00 18.39 H new -ATOM 0 HA VAL D 194 -12.089 49.031 -67.068 1.00 27.27 H new -ATOM 0 HB VAL D 194 -10.805 49.903 -64.468 1.00 27.18 H new -ATOM 0 1HG1 VAL D 194 -11.889 52.099 -64.808 1.00 13.76 H new -ATOM 0 2HG1 VAL D 194 -10.624 51.777 -66.042 1.00 13.76 H new -ATOM 0 3HG1 VAL D 194 -12.360 51.607 -66.469 1.00 13.76 H new -ATOM 0 1HG2 VAL D 194 -13.187 50.248 -63.859 1.00 17.37 H new -ATOM 0 2HG2 VAL D 194 -13.676 49.670 -65.487 1.00 17.37 H new -ATOM 0 3HG2 VAL D 194 -12.862 48.550 -64.343 1.00 17.37 H new -ATOM 1152 N SER D 195 -8.972 48.865 -67.379 1.00 25.29 -ATOM 1153 CA SER D 195 -7.917 49.202 -68.326 1.00 28.75 -ATOM 1154 C SER D 195 -8.003 48.378 -69.632 1.00 24.05 -ATOM 1155 O SER D 195 -8.846 47.503 -69.768 1.00 25.93 -ATOM 1156 CB SER D 195 -6.548 49.074 -67.654 1.00 29.34 -ATOM 1157 OG SER D 195 -5.813 47.990 -68.169 1.00 28.78 -ATOM 0 H SER D 195 -8.804 48.043 -66.835 1.00 25.29 H new -ATOM 0 HA SER D 195 -8.059 50.250 -68.628 1.00 28.75 H new -ATOM 0 1HB SER D 195 -6.682 48.944 -66.570 1.00 29.34 H new -ATOM 0 2HB SER D 195 -5.980 50.005 -67.799 1.00 29.34 H new -ATOM 0 HG SER D 195 -4.959 48.325 -68.568 1.00 28.78 H new -ATOM 1158 N MET D 196 -7.147 48.677 -70.602 1.00 23.10 -ATOM 1159 CA MET D 196 -7.193 47.976 -71.874 1.00 20.75 -ATOM 1160 C MET D 196 -6.608 46.579 -71.731 1.00 22.42 -ATOM 1161 O MET D 196 -5.525 46.406 -71.178 1.00 16.60 -ATOM 1162 CB MET D 196 -6.445 48.744 -72.963 1.00 23.71 -ATOM 1163 CG MET D 196 -6.548 48.082 -74.329 1.00 31.34 -ATOM 1164 SD MET D 196 -5.716 48.971 -75.650 1.00 67.07 -ATOM 1165 CE MET D 196 -6.653 50.501 -75.673 1.00 61.83 -ATOM 0 H MET D 196 -6.436 49.377 -70.533 1.00 23.10 H new -ATOM 0 HA MET D 196 -8.249 47.898 -72.173 1.00 20.75 H new -ATOM 0 1HB MET D 196 -6.846 49.766 -73.025 1.00 23.71 H new -ATOM 0 2HB MET D 196 -5.385 48.831 -72.682 1.00 23.71 H new -ATOM 0 1HG MET D 196 -6.126 47.068 -74.264 1.00 31.34 H new -ATOM 0 2HG MET D 196 -7.611 47.972 -74.590 1.00 31.34 H new -ATOM 0 1HE MET D 196 -6.455 51.039 -76.612 1.00 61.83 H new -ATOM 0 2HE MET D 196 -7.727 50.275 -75.600 1.00 61.83 H new -ATOM 0 3HE MET D 196 -6.352 51.129 -74.821 1.00 61.83 H new -ATOM 1166 N LEU D 197 -7.333 45.589 -72.242 1.00 15.49 -ATOM 1167 CA LEU D 197 -6.916 44.197 -72.160 1.00 15.68 -ATOM 1168 C LEU D 197 -5.885 43.874 -73.224 1.00 24.01 -ATOM 1169 O LEU D 197 -6.021 44.264 -74.393 1.00 11.45 -ATOM 1170 CB LEU D 197 -8.117 43.264 -72.288 1.00 10.25 -ATOM 1171 CG LEU D 197 -8.616 42.616 -70.989 1.00 22.56 -ATOM 1172 CD1 LEU D 197 -8.251 43.410 -69.742 1.00 16.24 -ATOM 1173 CD2 LEU D 197 -10.123 42.351 -71.070 1.00 14.76 -ATOM 0 H LEU D 197 -8.204 45.727 -72.713 1.00 15.49 H new -ATOM 0 HA LEU D 197 -6.455 44.042 -71.173 1.00 15.68 H new -ATOM 0 1HB LEU D 197 -8.948 43.830 -72.733 1.00 10.25 H new -ATOM 0 2HB LEU D 197 -7.858 42.463 -72.996 1.00 10.25 H new -ATOM 0 HG LEU D 197 -8.093 41.653 -70.889 1.00 22.56 H new -ATOM 0 1HD1 LEU D 197 -8.637 42.893 -68.851 1.00 16.24 H new -ATOM 0 2HD1 LEU D 197 -7.157 43.497 -69.670 1.00 16.24 H new -ATOM 0 3HD1 LEU D 197 -8.695 44.414 -69.803 1.00 16.24 H new -ATOM 0 1HD2 LEU D 197 -10.465 41.887 -70.133 1.00 14.76 H new -ATOM 0 2HD2 LEU D 197 -10.655 43.301 -71.224 1.00 14.76 H new -ATOM 0 3HD2 LEU D 197 -10.332 41.674 -71.911 1.00 14.76 H new -ATOM 1174 N THR D 198 -4.880 43.117 -72.801 1.00 18.51 -ATOM 1175 CA THR D 198 -3.671 42.867 -73.575 1.00 15.68 -ATOM 1176 C THR D 198 -3.495 41.416 -74.044 1.00 20.54 -ATOM 1177 O THR D 198 -2.865 41.182 -75.070 1.00 18.39 -ATOM 1178 CB THR D 198 -2.449 43.290 -72.733 1.00 14.19 -ATOM 1179 OG1 THR D 198 -1.963 44.546 -73.214 1.00 32.76 -ATOM 1180 CG2 THR D 198 -1.381 42.291 -72.820 1.00 25.81 -ATOM 0 H THR D 198 -4.883 42.660 -71.911 1.00 18.51 H new -ATOM 0 HA THR D 198 -3.763 43.463 -74.495 1.00 15.68 H new -ATOM 0 HB THR D 198 -2.758 43.377 -71.681 1.00 14.19 H new -ATOM 0 HG1 THR D 198 -1.059 44.725 -72.825 1.00 32.76 H new -ATOM 0 1HG2 THR D 198 -0.524 42.616 -72.212 1.00 25.81 H new -ATOM 0 2HG2 THR D 198 -1.750 41.325 -72.445 1.00 25.81 H new -ATOM 0 3HG2 THR D 198 -1.066 42.181 -73.868 1.00 25.81 H new -ATOM 1181 N ASP D 199 -4.050 40.461 -73.296 1.00 16.22 -ATOM 1182 CA ASP D 199 -3.860 39.044 -73.576 1.00 13.80 -ATOM 1183 C ASP D 199 -4.836 38.178 -72.745 1.00 17.25 -ATOM 1184 O ASP D 199 -5.196 38.550 -71.628 1.00 13.26 -ATOM 1185 CB ASP D 199 -2.406 38.668 -73.271 1.00 13.74 -ATOM 1186 CG ASP D 199 -1.911 37.478 -74.092 1.00 25.78 -ATOM 1187 OD1 ASP D 199 -2.685 36.939 -74.924 1.00 18.70 -ATOM 1188 OD2 ASP D 199 -0.732 37.091 -73.899 1.00 21.04 -ATOM 0 H ASP D 199 -4.628 40.646 -72.501 1.00 16.22 H new -ATOM 0 HA ASP D 199 -4.074 38.852 -74.638 1.00 13.80 H new -ATOM 0 1HB ASP D 199 -1.760 39.536 -73.468 1.00 13.74 H new -ATOM 0 2HB ASP D 199 -2.311 38.433 -72.201 1.00 13.74 H new -ATOM 1189 N VAL D 200 -5.282 37.053 -73.309 1.00 13.32 -ATOM 1190 CA VAL D 200 -6.089 36.078 -72.580 1.00 25.36 -ATOM 1191 C VAL D 200 -5.561 34.680 -72.745 1.00 15.32 -ATOM 1192 O VAL D 200 -5.228 34.277 -73.832 1.00 12.34 -ATOM 1193 CB VAL D 200 -7.557 35.978 -73.065 1.00 23.39 -ATOM 1194 CG1 VAL D 200 -8.495 36.272 -71.954 1.00 15.03 -ATOM 1195 CG2 VAL D 200 -7.819 36.811 -74.295 1.00 18.02 -ATOM 0 H VAL D 200 -5.098 36.800 -74.259 1.00 13.32 H new -ATOM 0 HA VAL D 200 -6.040 36.445 -71.544 1.00 25.36 H new -ATOM 0 HB VAL D 200 -7.737 34.939 -73.379 1.00 23.39 H new -ATOM 0 1HG1 VAL D 200 -9.530 36.196 -72.318 1.00 15.03 H new -ATOM 0 2HG1 VAL D 200 -8.339 35.548 -71.140 1.00 15.03 H new -ATOM 0 3HG1 VAL D 200 -8.312 37.290 -71.579 1.00 15.03 H new -ATOM 0 1HG2 VAL D 200 -8.872 36.703 -74.594 1.00 18.02 H new -ATOM 0 2HG2 VAL D 200 -7.607 37.868 -74.075 1.00 18.02 H new -ATOM 0 3HG2 VAL D 200 -7.169 36.471 -75.114 1.00 18.02 H new -ATOM 1196 N HIS D 201 -5.552 33.926 -71.663 1.00 10.66 -ATOM 1197 CA HIS D 201 -5.230 32.530 -71.761 1.00 20.11 -ATOM 1198 C HIS D 201 -6.155 31.731 -70.859 1.00 17.23 -ATOM 1199 O HIS D 201 -6.298 32.038 -69.672 1.00 17.72 -ATOM 1200 CB HIS D 201 -3.759 32.305 -71.406 1.00 18.01 -ATOM 1201 CG HIS D 201 -2.807 32.904 -72.393 1.00 32.25 -ATOM 1202 ND1 HIS D 201 -2.477 32.285 -73.581 1.00 26.58 -ATOM 1203 CD2 HIS D 201 -2.119 34.071 -72.373 1.00 22.35 -ATOM 1204 CE1 HIS D 201 -1.623 33.041 -74.245 1.00 12.66 -ATOM 1205 NE2 HIS D 201 -1.392 34.129 -73.536 1.00 17.51 -ATOM 0 H HIS D 201 -5.758 34.251 -70.740 1.00 10.66 H new -ATOM 0 HA HIS D 201 -5.378 32.184 -72.795 1.00 20.11 H new -ATOM 0 1HB HIS D 201 -3.561 32.732 -70.412 1.00 18.01 H new -ATOM 0 2HB HIS D 201 -3.569 31.224 -71.335 1.00 18.01 H new -ATOM 0 HD2 HIS D 201 -2.139 34.829 -71.576 1.00 22.35 H new -ATOM 0 HE1 HIS D 201 -1.179 32.804 -75.223 1.00 12.66 H new -ATOM 0 HE2 HIS D 201 -0.784 34.877 -73.803 1.00 17.51 H new -ATOM 1206 N LEU D 202 -6.824 30.741 -71.442 1.00 25.49 -ATOM 1207 CA LEU D 202 -7.472 29.703 -70.651 1.00 12.82 -ATOM 1208 C LEU D 202 -6.402 28.747 -70.196 1.00 11.94 -ATOM 1209 O LEU D 202 -5.420 28.523 -70.877 1.00 28.61 -ATOM 1210 CB LEU D 202 -8.550 28.993 -71.440 1.00 13.12 -ATOM 1211 CG LEU D 202 -9.905 29.637 -71.134 1.00 33.70 -ATOM 1212 CD1 LEU D 202 -10.942 29.281 -72.158 1.00 42.40 -ATOM 1213 CD2 LEU D 202 -10.378 29.235 -69.752 1.00 27.47 -ATOM 0 H LEU D 202 -6.929 30.639 -72.431 1.00 25.49 H new -ATOM 0 HA LEU D 202 -7.977 30.150 -69.782 1.00 12.82 H new -ATOM 0 1HB LEU D 202 -8.335 29.056 -72.517 1.00 13.12 H new -ATOM 0 2HB LEU D 202 -8.570 27.925 -71.178 1.00 13.12 H new -ATOM 0 HG LEU D 202 -9.765 30.727 -71.169 1.00 33.70 H new -ATOM 0 1HD1 LEU D 202 -11.896 29.764 -71.898 1.00 42.40 H new -ATOM 0 2HD1 LEU D 202 -10.614 29.628 -73.149 1.00 42.40 H new -ATOM 0 3HD1 LEU D 202 -11.078 28.190 -72.179 1.00 42.40 H new -ATOM 0 1HD2 LEU D 202 -11.351 29.704 -69.546 1.00 27.47 H new -ATOM 0 2HD2 LEU D 202 -10.481 28.141 -69.703 1.00 27.47 H new -ATOM 0 3HD2 LEU D 202 -9.645 29.567 -69.002 1.00 27.47 H new -ATOM 1214 N ILE D 203 -6.563 28.211 -69.011 1.00 22.46 -ATOM 1215 CA ILE D 203 -5.481 27.475 -68.410 1.00 20.01 -ATOM 1216 C ILE D 203 -6.120 26.546 -67.375 1.00 29.10 -ATOM 1217 O ILE D 203 -7.287 26.731 -67.005 1.00 23.29 -ATOM 1218 CB ILE D 203 -4.438 28.463 -67.815 1.00 21.85 -ATOM 1219 CG1 ILE D 203 -3.029 28.153 -68.317 1.00 37.34 -ATOM 1220 CG2 ILE D 203 -4.523 28.545 -66.292 1.00 27.82 -ATOM 1221 CD1 ILE D 203 -2.633 26.689 -68.190 1.00 57.20 -ATOM 0 H ILE D 203 -7.399 28.268 -68.465 1.00 22.46 H new -ATOM 0 HA ILE D 203 -4.919 26.866 -69.134 1.00 20.01 H new -ATOM 0 HB ILE D 203 -4.689 29.469 -68.181 1.00 21.85 H new -ATOM 0 1HG1 ILE D 203 -2.953 28.452 -69.373 1.00 37.34 H new -ATOM 0 2HG1 ILE D 203 -2.308 28.767 -67.757 1.00 37.34 H new -ATOM 0 1HG2 ILE D 203 -3.769 29.254 -65.920 1.00 27.82 H new -ATOM 0 2HG2 ILE D 203 -5.525 28.890 -65.998 1.00 27.82 H new -ATOM 0 3HG2 ILE D 203 -4.336 27.551 -65.860 1.00 27.82 H new -ATOM 0 1HD1 ILE D 203 -1.610 26.551 -68.571 1.00 57.20 H new -ATOM 0 2HD1 ILE D 203 -2.673 26.388 -67.133 1.00 57.20 H new -ATOM 0 3HD1 ILE D 203 -3.329 26.068 -68.774 1.00 57.20 H new -ATOM 1222 N LYS D 204 -5.375 25.545 -66.922 1.00 26.64 -ATOM 1223 CA LYS D 204 -5.964 24.462 -66.149 1.00 23.23 -ATOM 1224 C LYS D 204 -4.946 24.034 -65.118 1.00 29.16 -ATOM 1225 O LYS D 204 -3.778 23.876 -65.466 1.00 25.45 -ATOM 1226 CB LYS D 204 -6.238 23.301 -67.090 1.00 30.27 -ATOM 1227 CG LYS D 204 -7.648 22.745 -67.069 1.00 34.55 -ATOM 1228 CD LYS D 204 -7.751 21.588 -68.072 1.00 47.75 -ATOM 1229 CE LYS D 204 -9.003 20.732 -67.867 1.00 82.67 -ATOM 1230 NZ LYS D 204 -10.245 21.340 -68.436 1.00 55.03 -ATOM 0 H LYS D 204 -4.390 25.463 -67.073 1.00 26.64 H new -ATOM 0 HA LYS D 204 -6.899 24.777 -65.662 1.00 23.23 H new -ATOM 0 1HB LYS D 204 -6.009 23.625 -68.116 1.00 30.27 H new -ATOM 0 2HB LYS D 204 -5.541 22.486 -66.847 1.00 30.27 H new -ATOM 0 1HG LYS D 204 -7.901 22.393 -66.058 1.00 34.55 H new -ATOM 0 2HG LYS D 204 -8.370 23.534 -67.326 1.00 34.55 H new -ATOM 0 1HD LYS D 204 -7.754 21.995 -69.094 1.00 47.75 H new -ATOM 0 2HD LYS D 204 -6.859 20.951 -67.982 1.00 47.75 H new -ATOM 0 1HE LYS D 204 -8.843 19.747 -68.329 1.00 82.67 H new -ATOM 0 2HE LYS D 204 -9.148 20.562 -66.790 1.00 82.67 H new -ATOM 0 1HZ LYS D 204 -11.047 20.903 -68.029 1.00 55.03 H + new -ATOM 0 2HZ LYS D 204 -10.260 22.319 -68.233 1.00 55.03 H + new -ATOM 0 3HZ LYS D 204 -10.259 21.205 -69.427 1.00 55.03 H + new -ATOM 1231 N ASP D 205 -5.359 23.873 -63.856 1.00 17.02 -ATOM 1232 CA ASP D 205 -4.464 23.262 -62.865 1.00 28.30 -ATOM 1233 C ASP D 205 -4.547 21.728 -62.931 1.00 31.13 -ATOM 1234 O ASP D 205 -5.318 21.176 -63.720 1.00 28.38 -ATOM 1235 CB ASP D 205 -4.712 23.794 -61.446 1.00 30.23 -ATOM 1236 CG ASP D 205 -6.005 23.276 -60.822 1.00 32.43 -ATOM 1237 OD1 ASP D 205 -6.746 22.517 -61.475 1.00 26.20 -ATOM 1238 OD2 ASP D 205 -6.286 23.651 -59.662 1.00 48.46 -ATOM 0 H ASP D 205 -6.258 24.141 -63.510 1.00 17.02 H new -ATOM 0 HA ASP D 205 -3.435 23.555 -63.122 1.00 28.30 H new -ATOM 0 1HB ASP D 205 -3.865 23.512 -60.803 1.00 30.23 H new -ATOM 0 2HB ASP D 205 -4.742 24.893 -61.475 1.00 30.23 H new -ATOM 1239 N SER D 206 -3.753 21.039 -62.117 1.00 35.38 -ATOM 1240 CA SER D 206 -3.740 19.570 -62.145 1.00 43.00 -ATOM 1241 C SER D 206 -5.121 18.922 -61.995 1.00 34.09 -ATOM 1242 O SER D 206 -5.415 17.924 -62.655 1.00 44.40 -ATOM 1243 CB SER D 206 -2.774 19.013 -61.097 1.00 33.26 -ATOM 1244 OG SER D 206 -2.845 19.747 -59.887 1.00 51.93 -ATOM 0 H SER D 206 -3.131 21.452 -61.452 1.00 35.38 H new -ATOM 0 HA SER D 206 -3.390 19.302 -63.153 1.00 43.00 H new -ATOM 0 1HB SER D 206 -1.746 19.046 -61.488 1.00 33.26 H new -ATOM 0 2HB SER D 206 -3.011 17.957 -60.902 1.00 33.26 H new -ATOM 0 HG SER D 206 -2.205 19.359 -59.223 1.00 51.93 H new -ATOM 1245 N ASP D 207 -5.963 19.500 -61.143 1.00 31.40 -ATOM 1246 CA ASP D 207 -7.288 18.946 -60.843 1.00 34.64 -ATOM 1247 C ASP D 207 -8.335 19.184 -61.934 1.00 34.93 -ATOM 1248 O ASP D 207 -9.509 18.869 -61.748 1.00 41.15 -ATOM 1249 CB ASP D 207 -7.809 19.507 -59.519 1.00 22.19 -ATOM 1250 CG ASP D 207 -6.876 19.221 -58.357 1.00 56.99 -ATOM 1251 OD1 ASP D 207 -6.978 19.915 -57.324 1.00 81.64 -ATOM 1252 OD2 ASP D 207 -6.034 18.307 -58.473 1.00 55.52 -ATOM 0 H ASP D 207 -5.755 20.345 -60.651 1.00 31.40 H new -ATOM 0 HA ASP D 207 -7.141 17.858 -60.781 1.00 34.64 H new -ATOM 0 1HB ASP D 207 -7.947 20.594 -59.615 1.00 22.19 H new -ATOM 0 2HB ASP D 207 -8.798 19.075 -59.306 1.00 22.19 H new -ATOM 1253 N GLY D 208 -7.918 19.750 -63.063 1.00 33.03 -ATOM 1254 CA GLY D 208 -8.839 20.055 -64.145 1.00 27.58 -ATOM 1255 C GLY D 208 -9.628 21.343 -63.963 1.00 31.32 -ATOM 1256 O GLY D 208 -10.523 21.636 -64.758 1.00 24.39 -ATOM 0 H GLY D 208 -6.967 20.000 -63.245 1.00 33.03 H new -ATOM 0 1HA GLY D 208 -8.271 20.119 -65.085 1.00 27.58 H new -ATOM 0 2HA GLY D 208 -9.547 19.220 -64.253 1.00 27.58 H new -ATOM 1257 N HIS D 209 -9.309 22.105 -62.916 1.00 24.70 -ATOM 1258 CA HIS D 209 -9.943 23.402 -62.671 1.00 32.97 -ATOM 1259 C HIS D 209 -9.466 24.424 -63.686 1.00 22.25 -ATOM 1260 O HIS D 209 -8.265 24.586 -63.903 1.00 20.76 -ATOM 1261 CB HIS D 209 -9.616 23.921 -61.272 1.00 31.95 -ATOM 1262 CG HIS D 209 -10.204 23.104 -60.173 1.00 35.90 -ATOM 1263 ND1 HIS D 209 -11.523 22.703 -60.174 1.00 33.02 -ATOM 1264 CD2 HIS D 209 -9.661 22.620 -59.032 1.00 43.95 -ATOM 1265 CE1 HIS D 209 -11.765 22.000 -59.083 1.00 44.98 -ATOM 1266 NE2 HIS D 209 -10.652 21.936 -58.373 1.00 56.41 -ATOM 0 H HIS D 209 -8.624 21.850 -62.233 1.00 24.70 H new -ATOM 0 HA HIS D 209 -11.030 23.258 -62.761 1.00 32.97 H new -ATOM 0 1HB HIS D 209 -8.523 23.951 -61.149 1.00 31.95 H new -ATOM 0 2HB HIS D 209 -9.979 24.955 -61.181 1.00 31.95 H new -ATOM 0 HD2 HIS D 209 -8.622 22.750 -58.696 1.00 43.95 H new -ATOM 0 HE1 HIS D 209 -12.729 21.545 -58.811 1.00 44.98 H new -ATOM 0 HE2 HIS D 209 -10.549 21.465 -57.497 1.00 56.41 H new -ATOM 1267 N GLN D 210 -10.406 25.119 -64.304 1.00 14.57 -ATOM 1268 CA GLN D 210 -10.050 26.144 -65.266 1.00 21.20 -ATOM 1269 C GLN D 210 -9.900 27.559 -64.699 1.00 16.78 -ATOM 1270 O GLN D 210 -10.666 28.011 -63.849 1.00 14.85 -ATOM 1271 CB GLN D 210 -11.050 26.172 -66.405 1.00 29.25 -ATOM 1272 CG GLN D 210 -11.363 24.817 -66.961 1.00 36.68 -ATOM 1273 CD GLN D 210 -12.503 24.876 -67.947 1.00 44.36 -ATOM 1274 OE1 GLN D 210 -13.706 24.537 -67.488 1.00 29.73 flip -ATOM 1275 NE2 GLN D 210 -12.309 25.230 -69.109 1.00 31.33 flip -ATOM 0 H GLN D 210 -11.388 24.996 -64.162 1.00 14.57 H new -ATOM 0 HA GLN D 210 -9.049 25.852 -65.616 1.00 21.20 H new -ATOM 0 1HB GLN D 210 -11.982 26.639 -66.052 1.00 29.25 H new -ATOM 0 2HB GLN D 210 -10.657 26.808 -67.212 1.00 29.25 H new -ATOM 0 1HG GLN D 210 -10.470 24.406 -67.454 1.00 36.68 H new -ATOM 0 2HG GLN D 210 -11.621 24.132 -66.140 1.00 36.68 H new -ATOM 0 1HE2 GLN D 210 -13.073 25.272 -69.753 1.00 31.33 H new -ATOM 0 2HE2 GLN D 210 -11.387 25.476 -69.410 1.00 31.33 H new -ATOM 1276 N PHE D 211 -8.898 28.246 -65.220 1.00 24.36 -ATOM 1277 CA PHE D 211 -8.642 29.630 -64.907 1.00 12.83 -ATOM 1278 C PHE D 211 -8.486 30.402 -66.204 1.00 18.22 -ATOM 1279 O PHE D 211 -7.939 29.890 -67.181 1.00 18.34 -ATOM 1280 CB PHE D 211 -7.369 29.735 -64.075 1.00 14.27 -ATOM 1281 CG PHE D 211 -7.447 29.009 -62.762 1.00 17.83 -ATOM 1282 CD1 PHE D 211 -7.148 27.670 -62.681 1.00 19.61 -ATOM 1283 CD2 PHE D 211 -7.835 29.672 -61.610 1.00 22.54 -ATOM 1284 CE1 PHE D 211 -7.230 26.998 -61.475 1.00 34.52 -ATOM 1285 CE2 PHE D 211 -7.915 29.010 -60.401 1.00 17.40 -ATOM 1286 CZ PHE D 211 -7.614 27.669 -60.333 1.00 16.59 -ATOM 0 H PHE D 211 -8.246 27.854 -65.869 1.00 24.36 H new -ATOM 0 HA PHE D 211 -9.478 30.050 -64.329 1.00 12.83 H new -ATOM 0 1HB PHE D 211 -6.526 29.333 -64.657 1.00 14.27 H new -ATOM 0 2HB PHE D 211 -7.152 30.796 -63.885 1.00 14.27 H new -ATOM 0 HD1 PHE D 211 -6.840 27.126 -63.586 1.00 19.61 H new -ATOM 0 HD2 PHE D 211 -8.083 30.742 -61.659 1.00 22.54 H new -ATOM 0 HE1 PHE D 211 -6.988 25.926 -61.427 1.00 34.52 H new -ATOM 0 HE2 PHE D 211 -8.219 29.553 -59.494 1.00 17.40 H new -ATOM 0 HZ PHE D 211 -7.679 27.135 -59.373 1.00 16.59 H new -ATOM 1287 N ILE D 212 -8.983 31.630 -66.217 1.00 15.98 -ATOM 1288 CA ILE D 212 -8.622 32.567 -67.273 1.00 18.45 -ATOM 1289 C ILE D 212 -7.655 33.632 -66.766 1.00 12.49 -ATOM 1290 O ILE D 212 -7.888 34.249 -65.735 1.00 7.34 -ATOM 1291 CB ILE D 212 -9.840 33.211 -67.930 1.00 15.06 -ATOM 1292 CG1 ILE D 212 -9.444 34.557 -68.534 1.00 17.93 -ATOM 1293 CG2 ILE D 212 -10.927 33.408 -66.946 1.00 22.14 -ATOM 1294 CD1 ILE D 212 -10.583 35.250 -69.234 1.00 29.15 -ATOM 0 H ILE D 212 -9.616 31.991 -65.533 1.00 15.98 H new -ATOM 0 HA ILE D 212 -8.112 31.976 -68.049 1.00 18.45 H new -ATOM 0 HB ILE D 212 -10.205 32.541 -68.722 1.00 15.06 H new -ATOM 0 1HG1 ILE D 212 -9.060 35.211 -67.737 1.00 17.93 H new -ATOM 0 2HG1 ILE D 212 -8.622 34.403 -69.248 1.00 17.93 H new -ATOM 0 1HG2 ILE D 212 -11.792 33.872 -67.442 1.00 22.14 H new -ATOM 0 2HG2 ILE D 212 -11.224 32.435 -66.527 1.00 22.14 H new -ATOM 0 3HG2 ILE D 212 -10.574 34.063 -66.136 1.00 22.14 H new -ATOM 0 1HD1 ILE D 212 -10.233 36.209 -69.644 1.00 29.15 H new -ATOM 0 2HD1 ILE D 212 -10.952 34.614 -70.052 1.00 29.15 H new -ATOM 0 3HD1 ILE D 212 -11.397 35.434 -68.517 1.00 29.15 H new -ATOM 1295 N ILE D 213 -6.550 33.798 -67.494 1.00 20.11 -ATOM 1296 CA ILE D 213 -5.524 34.774 -67.173 1.00 10.42 -ATOM 1297 C ILE D 213 -5.638 35.937 -68.140 1.00 12.93 -ATOM 1298 O ILE D 213 -5.561 35.763 -69.356 1.00 12.22 -ATOM 1299 CB ILE D 213 -4.106 34.186 -67.307 1.00 9.32 -ATOM 1300 CG1 ILE D 213 -3.942 32.961 -66.429 1.00 26.54 -ATOM 1301 CG2 ILE D 213 -3.051 35.195 -66.916 1.00 14.13 -ATOM 1302 CD1 ILE D 213 -2.608 32.266 -66.646 1.00 38.90 -ATOM 0 H ILE D 213 -6.350 33.261 -68.314 1.00 20.11 H new -ATOM 0 HA ILE D 213 -5.677 35.090 -66.131 1.00 10.42 H new -ATOM 0 HB ILE D 213 -3.976 33.910 -68.364 1.00 9.32 H new -ATOM 0 1HG1 ILE D 213 -4.031 33.256 -65.373 1.00 26.54 H new -ATOM 0 2HG1 ILE D 213 -4.759 32.254 -66.635 1.00 26.54 H new -ATOM 0 1HG2 ILE D 213 -2.054 34.744 -67.023 1.00 14.13 H new -ATOM 0 2HG2 ILE D 213 -3.126 36.077 -67.570 1.00 14.13 H new -ATOM 0 3HG2 ILE D 213 -3.204 35.500 -65.870 1.00 14.13 H new -ATOM 0 1HD1 ILE D 213 -2.540 31.387 -65.988 1.00 38.90 H new -ATOM 0 2HD1 ILE D 213 -2.528 31.945 -67.695 1.00 38.90 H new -ATOM 0 3HD1 ILE D 213 -1.789 32.962 -66.413 1.00 38.90 H new -ATOM 1303 N THR D 214 -5.817 37.134 -67.594 1.00 14.10 -ATOM 1304 CA THR D 214 -5.892 38.336 -68.413 1.00 11.99 -ATOM 1305 C THR D 214 -4.850 39.345 -67.954 1.00 8.21 -ATOM 1306 O THR D 214 -4.599 39.506 -66.770 1.00 10.49 -ATOM 1307 CB THR D 214 -7.297 38.978 -68.380 1.00 8.58 -ATOM 1308 OG1 THR D 214 -7.753 39.035 -67.029 1.00 10.36 -ATOM 1309 CG2 THR D 214 -8.279 38.164 -69.194 1.00 6.89 -ATOM 0 H THR D 214 -5.911 37.294 -66.611 1.00 14.10 H new -ATOM 0 HA THR D 214 -5.689 38.038 -69.452 1.00 11.99 H new -ATOM 0 HB THR D 214 -7.231 39.989 -68.809 1.00 8.58 H new -ATOM 0 HG1 THR D 214 -7.714 39.980 -66.703 1.00 10.36 H new -ATOM 0 1HG2 THR D 214 -9.270 38.639 -69.156 1.00 6.89 H new -ATOM 0 2HG2 THR D 214 -7.937 38.113 -70.238 1.00 6.89 H new -ATOM 0 3HG2 THR D 214 -8.344 37.147 -68.780 1.00 6.89 H new -ATOM 1310 N SER D 215 -4.236 40.011 -68.914 1.00 9.41 -ATOM 1311 CA SER D 215 -3.238 41.029 -68.629 1.00 17.01 -ATOM 1312 C SER D 215 -3.726 42.355 -69.203 1.00 11.86 -ATOM 1313 O SER D 215 -4.561 42.380 -70.097 1.00 10.28 -ATOM 1314 CB SER D 215 -1.911 40.640 -69.259 1.00 8.54 -ATOM 1315 OG SER D 215 -2.085 40.498 -70.653 1.00 18.86 -ATOM 0 H SER D 215 -4.409 39.867 -69.888 1.00 9.41 H new -ATOM 0 HA SER D 215 -3.091 41.124 -67.543 1.00 17.01 H new -ATOM 0 1HB SER D 215 -1.546 39.698 -68.824 1.00 8.54 H new -ATOM 0 2HB SER D 215 -1.151 41.407 -69.048 1.00 8.54 H new -ATOM 0 HG SER D 215 -1.323 39.973 -71.033 1.00 18.86 H new -ATOM 1316 N ASP D 216 -3.225 43.466 -68.691 1.00 12.43 -ATOM 1317 CA ASP D 216 -3.738 44.743 -69.173 1.00 19.16 -ATOM 1318 C ASP D 216 -2.703 45.859 -69.296 1.00 12.97 -ATOM 1319 O ASP D 216 -1.561 45.710 -68.870 1.00 6.89 -ATOM 1320 CB ASP D 216 -4.950 45.197 -68.347 1.00 9.60 -ATOM 1321 CG ASP D 216 -4.590 45.619 -66.922 1.00 20.10 -ATOM 1322 OD1 ASP D 216 -3.493 46.170 -66.693 1.00 13.55 -ATOM 1323 OD2 ASP D 216 -5.438 45.416 -66.012 1.00 19.11 -ATOM 0 H ASP D 216 -2.513 43.516 -67.990 1.00 12.43 H new -ATOM 0 HA ASP D 216 -4.054 44.545 -70.208 1.00 19.16 H new -ATOM 0 1HB ASP D 216 -5.438 46.040 -68.859 1.00 9.60 H new -ATOM 0 2HB ASP D 216 -5.683 44.378 -68.305 1.00 9.60 H new -ATOM 1324 N ARG D 217 -3.140 46.986 -69.851 1.00 12.24 -ATOM 1325 CA ARG D 217 -2.265 48.122 -70.119 1.00 13.78 -ATOM 1326 C ARG D 217 -1.756 48.769 -68.841 1.00 16.68 -ATOM 1327 O ARG D 217 -0.773 49.495 -68.867 1.00 20.50 -ATOM 1328 CB ARG D 217 -2.975 49.136 -71.021 1.00 12.14 -ATOM 1329 CG ARG D 217 -2.097 50.248 -71.513 1.00 48.46 -ATOM 1330 CD ARG D 217 -2.908 51.351 -72.175 1.00 63.42 -ATOM 1331 NE ARG D 217 -2.063 52.476 -72.554 1.00 69.55 -ATOM 1332 CZ ARG D 217 -2.421 53.426 -73.409 1.00 86.90 -ATOM 1333 NH1 ARG D 217 -3.617 53.385 -73.981 1.00 86.92 -ATOM 1334 NH2 ARG D 217 -1.581 54.415 -73.698 1.00 87.01 -ATOM 0 H ARG D 217 -4.091 47.134 -70.122 1.00 12.24 H new -ATOM 0 HA ARG D 217 -1.378 47.746 -70.649 1.00 13.78 H new -ATOM 0 1HB ARG D 217 -3.395 48.606 -71.888 1.00 12.14 H new -ATOM 0 2HB ARG D 217 -3.821 49.570 -70.469 1.00 12.14 H new -ATOM 0 1HG ARG D 217 -1.526 50.666 -70.671 1.00 48.46 H new -ATOM 0 2HG ARG D 217 -1.365 49.849 -72.230 1.00 48.46 H new -ATOM 0 1HD ARG D 217 -3.414 50.953 -73.067 1.00 63.42 H new -ATOM 0 2HD ARG D 217 -3.694 51.695 -71.486 1.00 63.42 H new -ATOM 0 HE ARG D 217 -1.153 52.536 -72.143 1.00 69.55 H + new -ATOM 0 1HH1 ARG D 217 -4.248 52.639 -73.768 1.00 86.92 H + new -ATOM 0 2HH1 ARG D 217 -3.888 54.100 -74.625 1.00 86.92 H + new -ATOM 0 1HH2 ARG D 217 -0.677 54.444 -73.271 1.00 87.01 H + new -ATOM 0 2HH2 ARG D 217 -1.853 55.130 -74.342 1.00 87.01 H + new -ATOM 1335 N ASP D 218 -2.405 48.482 -67.717 1.00 17.56 -ATOM 1336 CA ASP D 218 -2.019 49.060 -66.429 1.00 15.05 -ATOM 1337 C ASP D 218 -1.236 48.104 -65.527 1.00 16.67 -ATOM 1338 O ASP D 218 -1.337 48.165 -64.303 1.00 19.72 -ATOM 1339 CB ASP D 218 -3.250 49.602 -65.685 1.00 25.20 -ATOM 1340 CG ASP D 218 -3.655 50.974 -66.162 1.00 27.07 -ATOM 1341 OD1 ASP D 218 -4.704 51.088 -66.823 1.00 26.17 -ATOM 1342 OD2 ASP D 218 -2.901 51.938 -65.900 1.00 35.35 -ATOM 0 H ASP D 218 -3.189 47.863 -67.671 1.00 17.56 H new -ATOM 0 HA ASP D 218 -1.334 49.887 -66.669 1.00 15.05 H new -ATOM 0 1HB ASP D 218 -4.092 48.907 -65.821 1.00 25.20 H new -ATOM 0 2HB ASP D 218 -3.035 49.641 -64.607 1.00 25.20 H new -ATOM 1343 N GLU D 219 -0.450 47.233 -66.152 1.00 20.85 -ATOM 1344 CA GLU D 219 0.518 46.359 -65.479 1.00 15.21 -ATOM 1345 C GLU D 219 -0.082 45.159 -64.733 1.00 15.92 -ATOM 1346 O GLU D 219 0.640 44.411 -64.055 1.00 12.73 -ATOM 1347 CB GLU D 219 1.475 47.147 -64.571 1.00 8.08 -ATOM 1348 CG GLU D 219 1.970 48.476 -65.158 1.00 19.26 -ATOM 1349 CD GLU D 219 1.294 49.710 -64.535 1.00 33.80 -ATOM 1350 OE1 GLU D 219 0.739 50.539 -65.287 1.00 24.46 -ATOM 1351 OE2 GLU D 219 1.321 49.848 -63.292 1.00 24.37 -ATOM 0 H GLU D 219 -0.465 47.111 -67.144 1.00 20.85 H new -ATOM 0 HA GLU D 219 1.092 45.921 -66.309 1.00 15.21 H new -ATOM 0 1HB GLU D 219 0.968 47.350 -63.616 1.00 8.08 H new -ATOM 0 2HB GLU D 219 2.346 46.515 -64.344 1.00 8.08 H new -ATOM 0 1HG GLU D 219 3.058 48.550 -65.011 1.00 19.26 H new -ATOM 0 2HG GLU D 219 1.791 48.478 -66.243 1.00 19.26 H new -ATOM 1352 N HIS D 220 -1.387 44.947 -64.875 1.00 10.71 -ATOM 1353 CA HIS D 220 -2.026 43.841 -64.155 1.00 17.84 -ATOM 1354 C HIS D 220 -2.005 42.500 -64.884 1.00 14.55 -ATOM 1355 O HIS D 220 -2.122 42.428 -66.110 1.00 15.16 -ATOM 1356 CB HIS D 220 -3.468 44.184 -63.764 1.00 13.96 -ATOM 1357 CG HIS D 220 -3.573 45.365 -62.865 1.00 17.56 -ATOM 1358 ND1 HIS D 220 -4.246 46.513 -63.223 1.00 18.49 -ATOM 1359 CD2 HIS D 220 -3.055 45.597 -61.639 1.00 18.20 -ATOM 1360 CE1 HIS D 220 -4.155 47.392 -62.243 1.00 18.02 -ATOM 1361 NE2 HIS D 220 -3.435 46.863 -61.271 1.00 22.88 -ATOM 0 H HIS D 220 -1.997 45.493 -65.449 1.00 10.71 H new -ATOM 0 HA HIS D 220 -1.406 43.715 -63.255 1.00 17.84 H new -ATOM 0 1HB HIS D 220 -4.052 44.375 -64.677 1.00 13.96 H new -ATOM 0 2HB HIS D 220 -3.922 43.314 -63.268 1.00 13.96 H new -ATOM 0 HD2 HIS D 220 -2.443 44.901 -61.047 1.00 18.20 H new -ATOM 0 HE1 HIS D 220 -4.604 48.396 -62.237 1.00 18.02 H new -ATOM 0 HE2 HIS D 220 -3.204 47.312 -60.408 1.00 22.88 H new -ATOM 1362 N ILE D 221 -1.836 41.445 -64.100 1.00 12.99 -ATOM 1363 CA ILE D 221 -2.052 40.084 -64.555 1.00 9.61 -ATOM 1364 C ILE D 221 -3.029 39.486 -63.561 1.00 11.88 -ATOM 1365 O ILE D 221 -2.693 39.222 -62.403 1.00 11.36 -ATOM 1366 CB ILE D 221 -0.756 39.263 -64.603 1.00 6.89 -ATOM 1367 CG1 ILE D 221 0.223 39.858 -65.626 1.00 12.30 -ATOM 1368 CG2 ILE D 221 -1.065 37.857 -64.987 1.00 7.10 -ATOM 1369 CD1 ILE D 221 1.640 39.366 -65.476 1.00 6.89 -ATOM 0 H ILE D 221 -1.549 41.511 -63.144 1.00 12.99 H new -ATOM 0 HA ILE D 221 -2.436 40.074 -65.586 1.00 9.61 H new -ATOM 0 HB ILE D 221 -0.293 39.287 -63.606 1.00 6.89 H new -ATOM 0 1HG1 ILE D 221 -0.132 39.619 -66.639 1.00 12.30 H new -ATOM 0 2HG1 ILE D 221 0.214 40.954 -65.532 1.00 12.30 H new -ATOM 0 1HG2 ILE D 221 -0.134 37.272 -65.020 1.00 7.10 H new -ATOM 0 2HG2 ILE D 221 -1.748 37.416 -64.246 1.00 7.10 H new -ATOM 0 3HG2 ILE D 221 -1.541 37.843 -65.978 1.00 7.10 H new -ATOM 0 1HD1 ILE D 221 2.275 39.836 -66.241 1.00 6.89 H new -ATOM 0 2HD1 ILE D 221 2.016 39.629 -64.476 1.00 6.89 H new -ATOM 0 3HD1 ILE D 221 1.664 38.273 -65.601 1.00 6.89 H new -ATOM 1370 N LYS D 222 -4.261 39.318 -64.013 1.00 11.41 -ATOM 1371 CA LYS D 222 -5.332 38.830 -63.175 1.00 9.86 -ATOM 1372 C LYS D 222 -5.608 37.353 -63.465 1.00 8.13 -ATOM 1373 O LYS D 222 -5.671 36.947 -64.628 1.00 6.89 -ATOM 1374 CB LYS D 222 -6.596 39.660 -63.432 1.00 9.40 -ATOM 1375 CG LYS D 222 -7.850 39.043 -62.870 1.00 15.27 -ATOM 1376 CD LYS D 222 -8.814 40.083 -62.344 1.00 17.68 -ATOM 1377 CE LYS D 222 -9.724 40.614 -63.437 1.00 18.44 -ATOM 1378 NZ LYS D 222 -10.324 41.898 -63.030 1.00 21.86 -ATOM 0 H LYS D 222 -4.536 39.514 -64.954 1.00 11.41 H new -ATOM 0 HA LYS D 222 -5.036 38.927 -62.120 1.00 9.86 H new -ATOM 0 1HB LYS D 222 -6.462 40.660 -62.994 1.00 9.40 H new -ATOM 0 2HB LYS D 222 -6.720 39.797 -64.516 1.00 9.40 H new -ATOM 0 1HG LYS D 222 -8.346 38.448 -63.652 1.00 15.27 H new -ATOM 0 2HG LYS D 222 -7.583 38.350 -62.059 1.00 15.27 H new -ATOM 0 1HD LYS D 222 -9.424 39.644 -61.540 1.00 17.68 H new -ATOM 0 2HD LYS D 222 -8.249 40.916 -61.901 1.00 17.68 H new -ATOM 0 1HE LYS D 222 -9.152 40.748 -64.367 1.00 18.44 H new -ATOM 0 2HE LYS D 222 -10.517 39.882 -63.650 1.00 18.44 H new -ATOM 0 1HZ LYS D 222 -10.464 42.472 -63.837 1.00 21.86 H + new -ATOM 0 2HZ LYS D 222 -11.203 41.729 -62.585 1.00 21.86 H + new -ATOM 0 3HZ LYS D 222 -9.712 42.365 -62.392 1.00 21.86 H + new -ATOM 1379 N ILE D 223 -5.783 36.555 -62.412 1.00 8.27 -ATOM 1380 CA ILE D 223 -6.153 35.145 -62.587 1.00 11.14 -ATOM 1381 C ILE D 223 -7.529 34.905 -62.000 1.00 14.22 -ATOM 1382 O ILE D 223 -7.734 35.080 -60.798 1.00 10.21 -ATOM 1383 CB ILE D 223 -5.132 34.179 -61.946 1.00 10.07 -ATOM 1384 CG1 ILE D 223 -3.720 34.502 -62.431 1.00 7.61 -ATOM 1385 CG2 ILE D 223 -5.492 32.751 -62.259 1.00 6.89 -ATOM 1386 CD1 ILE D 223 -2.670 33.620 -61.873 1.00 14.03 -ATOM 0 H ILE D 223 -5.679 36.846 -61.461 1.00 8.27 H new -ATOM 0 HA ILE D 223 -6.159 34.938 -63.667 1.00 11.14 H new -ATOM 0 HB ILE D 223 -5.160 34.309 -60.854 1.00 10.07 H new -ATOM 0 1HG1 ILE D 223 -3.697 34.432 -63.529 1.00 7.61 H new -ATOM 0 2HG1 ILE D 223 -3.484 35.544 -62.170 1.00 7.61 H new -ATOM 0 1HG2 ILE D 223 -4.756 32.077 -61.796 1.00 6.89 H new -ATOM 0 2HG2 ILE D 223 -6.493 32.529 -61.861 1.00 6.89 H new -ATOM 0 3HG2 ILE D 223 -5.490 32.602 -63.349 1.00 6.89 H new -ATOM 0 1HD1 ILE D 223 -1.689 33.919 -62.271 1.00 14.03 H new -ATOM 0 2HD1 ILE D 223 -2.662 33.707 -60.776 1.00 14.03 H new -ATOM 0 3HD1 ILE D 223 -2.878 32.578 -62.156 1.00 14.03 H new -ATOM 1387 N SER D 224 -8.473 34.516 -62.854 1.00 10.08 -ATOM 1388 CA SER D 224 -9.849 34.271 -62.418 1.00 7.30 -ATOM 1389 C SER D 224 -10.272 32.822 -62.629 1.00 18.37 -ATOM 1390 O SER D 224 -9.793 32.145 -63.542 1.00 15.68 -ATOM 1391 CB SER D 224 -10.824 35.159 -63.170 1.00 7.16 -ATOM 1392 OG SER D 224 -10.465 36.513 -63.032 1.00 22.37 -ATOM 0 H SER D 224 -8.316 34.366 -63.830 1.00 10.08 H new -ATOM 0 HA SER D 224 -9.872 34.500 -61.342 1.00 7.30 H new -ATOM 0 1HB SER D 224 -11.843 35.002 -62.787 1.00 7.16 H new -ATOM 0 2HB SER D 224 -10.835 34.883 -64.235 1.00 7.16 H new -ATOM 0 HG SER D 224 -11.115 37.084 -63.534 1.00 22.37 H new -ATOM 1393 N HIS D 225 -11.183 32.356 -61.780 1.00 15.75 -ATOM 1394 CA HIS D 225 -11.832 31.066 -61.976 1.00 16.59 -ATOM 1395 C HIS D 225 -12.685 31.107 -63.227 1.00 13.35 -ATOM 1396 O HIS D 225 -13.235 32.141 -63.592 1.00 12.28 -ATOM 1397 CB HIS D 225 -12.695 30.664 -60.761 1.00 12.51 -ATOM 1398 CG HIS D 225 -11.902 30.089 -59.629 1.00 12.29 -ATOM 1399 ND1 HIS D 225 -11.424 30.857 -58.590 1.00 16.76 -ATOM 1400 CD2 HIS D 225 -11.470 28.832 -59.394 1.00 11.25 -ATOM 1401 CE1 HIS D 225 -10.734 30.097 -57.762 1.00 16.25 -ATOM 1402 NE2 HIS D 225 -10.751 28.862 -58.225 1.00 16.55 -ATOM 0 H HIS D 225 -11.483 32.847 -60.962 1.00 15.75 H new -ATOM 0 HA HIS D 225 -11.044 30.307 -62.087 1.00 16.59 H new -ATOM 0 1HB HIS D 225 -13.243 31.548 -60.402 1.00 12.51 H new -ATOM 0 2HB HIS D 225 -13.447 29.928 -61.083 1.00 12.51 H new -ATOM 0 HD2 HIS D 225 -11.659 27.949 -60.022 1.00 11.25 H new -ATOM 0 HE1 HIS D 225 -10.231 30.435 -56.844 1.00 16.25 H new -ATOM 0 HE2 HIS D 225 -10.311 28.074 -57.794 1.00 16.55 H new -ATOM 1403 N TYR D 226 -12.744 29.973 -63.908 1.00 21.61 -ATOM 1404 CA TYR D 226 -13.591 29.814 -65.075 1.00 21.37 -ATOM 1405 C TYR D 226 -14.245 28.448 -64.938 1.00 11.71 -ATOM 1406 O TYR D 226 -13.570 27.489 -64.589 1.00 8.84 -ATOM 1407 CB TYR D 226 -12.782 29.916 -66.393 1.00 12.97 -ATOM 1408 CG TYR D 226 -13.665 29.652 -67.591 1.00 21.29 -ATOM 1409 CD1 TYR D 226 -14.348 30.691 -68.206 1.00 10.52 -ATOM 1410 CD2 TYR D 226 -13.879 28.350 -68.061 1.00 19.68 -ATOM 1411 CE1 TYR D 226 -15.199 30.453 -69.275 1.00 18.18 -ATOM 1412 CE2 TYR D 226 -14.731 28.106 -69.125 1.00 14.87 -ATOM 1413 CZ TYR D 226 -15.383 29.160 -69.729 1.00 20.96 -ATOM 1414 OH TYR D 226 -16.224 28.928 -70.788 1.00 28.15 -ATOM 0 H TYR D 226 -12.217 29.157 -63.671 1.00 21.61 H new -ATOM 0 HA TYR D 226 -14.341 30.617 -65.124 1.00 21.37 H new -ATOM 0 1HB TYR D 226 -12.334 30.917 -66.476 1.00 12.97 H new -ATOM 0 2HB TYR D 226 -11.953 29.193 -66.376 1.00 12.97 H new -ATOM 0 HD1 TYR D 226 -14.213 31.720 -67.840 1.00 10.52 H new -ATOM 0 HD2 TYR D 226 -13.362 27.508 -67.577 1.00 19.68 H new -ATOM 0 HE1 TYR D 226 -15.725 31.289 -69.759 1.00 18.18 H new -ATOM 0 HE2 TYR D 226 -14.886 27.079 -69.486 1.00 14.87 H new -ATOM 0 HH TYR D 226 -16.244 27.949 -70.990 1.00 28.15 H new -ATOM 1415 N PRO D 227 -15.567 28.364 -65.167 1.00 12.51 -ATOM 1416 CA PRO D 227 -16.484 29.435 -65.574 1.00 15.94 -ATOM 1417 C PRO D 227 -16.969 30.359 -64.437 1.00 18.69 -ATOM 1418 O PRO D 227 -17.680 31.314 -64.728 1.00 20.81 -ATOM 1419 CB PRO D 227 -17.691 28.667 -66.119 1.00 9.17 -ATOM 1420 CG PRO D 227 -17.499 27.231 -65.696 1.00 6.89 -ATOM 1421 CD PRO D 227 -16.304 27.142 -64.832 1.00 11.43 -ATOM 0 HA PRO D 227 -15.974 30.110 -66.277 1.00 15.94 H new -ATOM 0 1HB PRO D 227 -18.630 29.073 -65.716 1.00 9.17 H new -ATOM 0 2HB PRO D 227 -17.748 28.750 -67.214 1.00 9.17 H new -ATOM 0 1HG PRO D 227 -18.387 26.872 -65.155 1.00 6.89 H new -ATOM 0 2HG PRO D 227 -17.378 26.587 -66.580 1.00 6.89 H new -ATOM 0 1HD PRO D 227 -16.573 27.107 -63.766 1.00 11.43 H new -ATOM 0 2HD PRO D 227 -15.714 26.238 -65.044 1.00 11.43 H new -ATOM 1422 N GLN D 228 -16.615 30.095 -63.184 1.00 13.54 -ATOM 1423 CA GLN D 228 -16.977 31.013 -62.092 1.00 17.18 -ATOM 1424 C GLN D 228 -16.165 32.303 -62.144 1.00 8.40 -ATOM 1425 O GLN D 228 -15.345 32.557 -61.266 1.00 11.67 -ATOM 1426 CB GLN D 228 -16.783 30.358 -60.714 1.00 18.83 -ATOM 1427 CG GLN D 228 -17.498 29.030 -60.520 1.00 16.45 -ATOM 1428 CD GLN D 228 -16.781 27.857 -61.193 1.00 30.63 -ATOM 1429 OE1 GLN D 228 -15.582 28.101 -61.728 1.00 42.01 flip -ATOM 1430 NE2 GLN D 228 -17.307 26.744 -61.226 1.00 17.07 flip -ATOM 0 H GLN D 228 -16.098 29.287 -62.900 1.00 13.54 H new -ATOM 0 HA GLN D 228 -18.041 31.253 -62.233 1.00 17.18 H new -ATOM 0 1HB GLN D 228 -15.707 30.204 -60.548 1.00 18.83 H new -ATOM 0 2HB GLN D 228 -17.131 31.059 -59.941 1.00 18.83 H new -ATOM 0 1HG GLN D 228 -17.592 28.825 -59.443 1.00 16.45 H new -ATOM 0 2HG GLN D 228 -18.519 29.108 -60.923 1.00 16.45 H new -ATOM 0 1HE2 GLN D 228 -16.834 25.980 -61.666 1.00 17.07 H new -ATOM 0 2HE2 GLN D 228 -18.207 26.604 -60.813 1.00 17.07 H new -ATOM 1431 N CYS D 229 -16.401 33.110 -63.171 1.00 8.02 -ATOM 1432 CA CYS D 229 -15.614 34.319 -63.418 1.00 10.83 -ATOM 1433 C CYS D 229 -15.873 35.473 -62.437 1.00 14.95 -ATOM 1434 O CYS D 229 -15.163 36.474 -62.450 1.00 20.49 -ATOM 1435 CB CYS D 229 -15.839 34.810 -64.853 1.00 25.16 -ATOM 1436 SG CYS D 229 -15.169 33.733 -66.162 1.00 25.85 -ATOM 0 H CYS D 229 -17.125 32.952 -63.842 1.00 8.02 H new -ATOM 0 HA CYS D 229 -14.568 34.018 -63.260 1.00 10.83 H new -ATOM 0 1HB CYS D 229 -16.920 34.928 -65.017 1.00 25.16 H new -ATOM 0 2HB CYS D 229 -15.387 35.808 -64.956 1.00 25.16 H new -ATOM 0 HG CYS D 229 -16.149 33.168 -66.803 1.00 25.85 H new -ATOM 1437 N PHE D 230 -16.905 35.352 -61.612 1.00 12.80 -ATOM 1438 CA PHE D 230 -17.138 36.324 -60.561 1.00 8.11 -ATOM 1439 C PHE D 230 -16.122 36.166 -59.434 1.00 11.21 -ATOM 1440 O PHE D 230 -16.146 36.922 -58.470 1.00 10.11 -ATOM 1441 CB PHE D 230 -18.564 36.207 -60.021 1.00 13.27 -ATOM 1442 CG PHE D 230 -18.916 34.833 -59.471 1.00 15.73 -ATOM 1443 CD1 PHE D 230 -18.689 34.520 -58.138 1.00 16.04 -ATOM 1444 CD2 PHE D 230 -19.496 33.872 -60.285 1.00 13.33 -ATOM 1445 CE1 PHE D 230 -19.028 33.277 -57.625 1.00 15.70 -ATOM 1446 CE2 PHE D 230 -19.836 32.630 -59.780 1.00 18.50 -ATOM 1447 CZ PHE D 230 -19.599 32.327 -58.449 1.00 19.78 -ATOM 0 H PHE D 230 -17.574 34.610 -61.651 1.00 12.80 H new -ATOM 0 HA PHE D 230 -17.013 37.327 -60.994 1.00 8.11 H new -ATOM 0 1HB PHE D 230 -18.704 36.954 -59.226 1.00 13.27 H new -ATOM 0 2HB PHE D 230 -19.270 36.458 -60.826 1.00 13.27 H new -ATOM 0 HD1 PHE D 230 -18.232 35.271 -57.477 1.00 16.04 H new -ATOM 0 HD2 PHE D 230 -19.688 34.100 -61.344 1.00 13.33 H new -ATOM 0 HE1 PHE D 230 -18.843 33.048 -56.565 1.00 15.70 H new -ATOM 0 HE2 PHE D 230 -20.297 31.879 -60.438 1.00 18.50 H new -ATOM 0 HZ PHE D 230 -19.864 31.336 -58.051 1.00 19.78 H new -ATOM 1448 N ILE D 231 -15.226 35.188 -59.552 1.00 12.07 -ATOM 1449 CA ILE D 231 -14.253 34.948 -58.493 1.00 14.63 -ATOM 1450 C ILE D 231 -12.841 35.160 -58.956 1.00 7.14 -ATOM 1451 O ILE D 231 -12.302 34.326 -59.675 1.00 13.04 -ATOM 1452 CB ILE D 231 -14.316 33.507 -57.954 1.00 11.10 -ATOM 1453 CG1 ILE D 231 -15.724 33.154 -57.506 1.00 9.31 -ATOM 1454 CG2 ILE D 231 -13.302 33.318 -56.824 1.00 7.98 -ATOM 1455 CD1 ILE D 231 -15.913 31.697 -57.242 1.00 9.11 -ATOM 0 H ILE D 231 -15.156 34.574 -60.338 1.00 12.07 H new -ATOM 0 HA ILE D 231 -14.520 35.671 -57.708 1.00 14.63 H new -ATOM 0 HB ILE D 231 -14.050 32.816 -58.768 1.00 11.10 H new -ATOM 0 1HG1 ILE D 231 -15.963 33.719 -56.593 1.00 9.31 H new -ATOM 0 2HG1 ILE D 231 -16.438 33.475 -58.279 1.00 9.31 H new -ATOM 0 1HG2 ILE D 231 -13.358 32.285 -56.449 1.00 7.98 H new -ATOM 0 2HG2 ILE D 231 -12.288 33.515 -57.203 1.00 7.98 H new -ATOM 0 3HG2 ILE D 231 -13.529 34.017 -56.006 1.00 7.98 H new -ATOM 0 1HD1 ILE D 231 -16.950 31.513 -56.923 1.00 9.11 H new -ATOM 0 2HD1 ILE D 231 -15.706 31.128 -58.160 1.00 9.11 H new -ATOM 0 3HD1 ILE D 231 -15.223 31.375 -56.448 1.00 9.11 H new -ATOM 1456 N VAL D 232 -12.233 36.251 -58.518 1.00 6.89 -ATOM 1457 CA VAL D 232 -10.840 36.503 -58.813 1.00 10.61 -ATOM 1458 C VAL D 232 -9.990 35.627 -57.917 1.00 12.47 -ATOM 1459 O VAL D 232 -10.107 35.683 -56.702 1.00 22.80 -ATOM 1460 CB VAL D 232 -10.457 37.980 -58.567 1.00 12.79 -ATOM 1461 CG1 VAL D 232 -8.955 38.180 -58.683 1.00 6.89 -ATOM 1462 CG2 VAL D 232 -11.197 38.882 -59.515 1.00 8.38 -ATOM 0 H VAL D 232 -12.677 36.959 -57.969 1.00 6.89 H new -ATOM 0 HA VAL D 232 -10.668 36.277 -59.876 1.00 10.61 H new -ATOM 0 HB VAL D 232 -10.751 38.245 -57.541 1.00 12.79 H new -ATOM 0 1HG1 VAL D 232 -8.710 39.237 -58.504 1.00 6.89 H new -ATOM 0 2HG1 VAL D 232 -8.443 37.554 -57.937 1.00 6.89 H new -ATOM 0 3HG1 VAL D 232 -8.623 37.893 -59.692 1.00 6.89 H new -ATOM 0 1HG2 VAL D 232 -10.912 39.927 -59.325 1.00 8.38 H new -ATOM 0 2HG2 VAL D 232 -10.941 38.615 -60.551 1.00 8.38 H new -ATOM 0 3HG2 VAL D 232 -12.280 38.765 -59.364 1.00 8.38 H new -ATOM 1463 N ASP D 233 -9.130 34.820 -58.512 1.00 7.93 -ATOM 1464 CA ASP D 233 -8.226 33.998 -57.729 1.00 10.03 -ATOM 1465 C ASP D 233 -7.079 34.820 -57.150 1.00 8.74 -ATOM 1466 O ASP D 233 -6.897 34.849 -55.946 1.00 11.79 -ATOM 1467 CB ASP D 233 -7.707 32.815 -58.565 1.00 13.32 -ATOM 1468 CG ASP D 233 -6.561 32.090 -57.902 1.00 16.96 -ATOM 1469 OD1 ASP D 233 -6.734 31.608 -56.766 1.00 37.90 -ATOM 1470 OD2 ASP D 233 -5.477 31.998 -58.517 1.00 19.41 -ATOM 0 H ASP D 233 -9.040 34.719 -59.503 1.00 7.93 H new -ATOM 0 HA ASP D 233 -8.791 33.591 -56.877 1.00 10.03 H new -ATOM 0 1HB ASP D 233 -8.530 32.107 -58.741 1.00 13.32 H new -ATOM 0 2HB ASP D 233 -7.382 33.182 -59.550 1.00 13.32 H new -ATOM 1471 N LYS D 234 -6.297 35.476 -58.006 1.00 17.31 -ATOM 1472 CA LYS D 234 -5.252 36.389 -57.541 1.00 14.69 -ATOM 1473 C LYS D 234 -4.740 37.260 -58.681 1.00 13.83 -ATOM 1474 O LYS D 234 -5.237 37.154 -59.806 1.00 12.55 -ATOM 1475 CB LYS D 234 -4.096 35.622 -56.893 1.00 12.37 -ATOM 1476 CG LYS D 234 -2.937 35.318 -57.815 1.00 19.02 -ATOM 1477 CD LYS D 234 -2.982 33.918 -58.328 1.00 17.02 -ATOM 1478 CE LYS D 234 -2.436 32.957 -57.283 1.00 25.73 -ATOM 1479 NZ LYS D 234 -2.960 31.582 -57.479 1.00 12.12 -ATOM 0 H LYS D 234 -6.364 35.395 -59.000 1.00 17.31 H new -ATOM 0 HA LYS D 234 -5.699 37.044 -56.779 1.00 14.69 H new -ATOM 0 1HB LYS D 234 -3.722 36.205 -56.038 1.00 12.37 H new -ATOM 0 2HB LYS D 234 -4.484 34.674 -56.491 1.00 12.37 H new -ATOM 0 1HG LYS D 234 -2.951 36.019 -58.663 1.00 19.02 H new -ATOM 0 2HG LYS D 234 -1.991 35.481 -57.279 1.00 19.02 H new -ATOM 0 1HD LYS D 234 -4.017 33.646 -58.582 1.00 17.02 H new -ATOM 0 2HD LYS D 234 -2.392 33.839 -59.253 1.00 17.02 H new -ATOM 0 1HE LYS D 234 -1.337 32.943 -57.335 1.00 25.73 H new -ATOM 0 2HE LYS D 234 -2.706 33.314 -56.278 1.00 25.73 H new -ATOM 0 1HZ LYS D 234 -2.759 31.030 -56.670 1.00 12.12 H + new -ATOM 0 2HZ LYS D 234 -3.949 31.619 -57.620 1.00 12.12 H + new -ATOM 0 3HZ LYS D 234 -2.525 31.170 -58.280 1.00 12.12 H + new -ATOM 1480 N TRP D 235 -3.772 38.127 -58.367 1.00 13.85 -ATOM 1481 CA TRP D 235 -3.049 38.939 -59.349 1.00 11.53 -ATOM 1482 C TRP D 235 -1.563 38.608 -59.211 1.00 20.47 -ATOM 1483 O TRP D 235 -1.116 38.172 -58.146 1.00 17.05 -ATOM 1484 CB TRP D 235 -3.275 40.444 -59.132 1.00 6.89 -ATOM 1485 CG TRP D 235 -4.715 40.815 -58.824 1.00 25.67 -ATOM 1486 CD1 TRP D 235 -5.438 40.513 -57.678 1.00 25.55 -ATOM 1487 CD2 TRP D 235 -5.596 41.560 -59.656 1.00 7.83 -ATOM 1488 NE1 TRP D 235 -6.716 41.020 -57.770 1.00 13.49 -ATOM 1489 CE2 TRP D 235 -6.834 41.671 -58.973 1.00 17.37 -ATOM 1490 CE3 TRP D 235 -5.464 42.139 -60.906 1.00 6.89 -ATOM 1491 CZ2 TRP D 235 -7.922 42.340 -59.512 1.00 15.72 -ATOM 1492 CZ3 TRP D 235 -6.544 42.809 -61.437 1.00 28.63 -ATOM 1493 CH2 TRP D 235 -7.759 42.901 -60.742 1.00 29.83 -ATOM 0 H TRP D 235 -3.470 38.283 -57.426 1.00 13.85 H new -ATOM 0 HA TRP D 235 -3.420 38.706 -60.358 1.00 11.53 H new -ATOM 0 1HB TRP D 235 -2.635 40.785 -58.305 1.00 6.89 H new -ATOM 0 2HB TRP D 235 -2.952 40.986 -60.033 1.00 6.89 H new -ATOM 0 HD1 TRP D 235 -5.046 39.949 -56.819 1.00 25.55 H new -ATOM 0 HE1 TRP D 235 -7.434 40.929 -57.080 1.00 13.49 H new -ATOM 0 HE3 TRP D 235 -4.518 42.066 -61.463 1.00 6.89 H new -ATOM 0 HZ2 TRP D 235 -8.876 42.414 -58.969 1.00 15.72 H new -ATOM 0 HZ3 TRP D 235 -6.452 43.281 -62.426 1.00 28.63 H new -ATOM 0 HH2 TRP D 235 -8.601 43.440 -61.202 1.00 29.83 H new -ATOM 1494 N LEU D 236 -0.798 38.782 -60.287 1.00 14.13 -ATOM 1495 CA LEU D 236 0.650 38.625 -60.191 1.00 12.93 -ATOM 1496 C LEU D 236 1.238 40.005 -60.187 1.00 10.14 -ATOM 1497 O LEU D 236 0.970 40.778 -61.079 1.00 13.93 -ATOM 1498 CB LEU D 236 1.192 37.810 -61.361 1.00 14.74 -ATOM 1499 CG LEU D 236 0.559 36.421 -61.496 1.00 12.54 -ATOM 1500 CD1 LEU D 236 1.168 35.683 -62.664 1.00 12.05 -ATOM 1501 CD2 LEU D 236 0.690 35.599 -60.200 1.00 11.13 -ATOM 0 H LEU D 236 -1.140 39.021 -61.196 1.00 14.13 H new -ATOM 0 HA LEU D 236 0.920 38.080 -59.274 1.00 12.93 H new -ATOM 0 1HB LEU D 236 1.026 38.370 -62.293 1.00 14.74 H new -ATOM 0 2HB LEU D 236 2.280 37.697 -61.243 1.00 14.74 H new -ATOM 0 HG LEU D 236 -0.516 36.559 -61.682 1.00 12.54 H new -ATOM 0 1HD1 LEU D 236 0.706 34.688 -62.751 1.00 12.05 H new -ATOM 0 2HD1 LEU D 236 0.991 36.251 -63.589 1.00 12.05 H new -ATOM 0 3HD1 LEU D 236 2.251 35.571 -62.504 1.00 12.05 H new -ATOM 0 1HD2 LEU D 236 0.224 34.613 -60.342 1.00 11.13 H new -ATOM 0 2HD2 LEU D 236 1.754 35.469 -59.954 1.00 11.13 H new -ATOM 0 3HD2 LEU D 236 0.186 36.127 -59.377 1.00 11.13 H new -ATOM 1502 N PHE D 237 2.005 40.333 -59.162 1.00 13.79 -ATOM 1503 CA PHE D 237 2.439 41.703 -58.974 1.00 13.87 -ATOM 1504 C PHE D 237 3.931 41.769 -59.208 1.00 15.66 -ATOM 1505 O PHE D 237 4.676 40.924 -58.699 1.00 8.75 -ATOM 1506 CB PHE D 237 2.119 42.208 -57.560 1.00 9.15 -ATOM 1507 CG PHE D 237 0.666 42.474 -57.311 1.00 11.72 -ATOM 1508 CD1 PHE D 237 -0.024 41.741 -56.361 1.00 18.95 -ATOM 1509 CD2 PHE D 237 -0.001 43.481 -57.984 1.00 13.58 -ATOM 1510 CE1 PHE D 237 -1.359 41.987 -56.102 1.00 13.33 -ATOM 1511 CE2 PHE D 237 -1.334 43.740 -57.734 1.00 14.40 -ATOM 1512 CZ PHE D 237 -2.023 42.974 -56.795 1.00 12.96 -ATOM 0 H PHE D 237 2.330 39.689 -58.469 1.00 13.79 H new -ATOM 0 HA PHE D 237 1.902 42.345 -59.688 1.00 13.87 H new -ATOM 0 1HB PHE D 237 2.473 41.465 -56.830 1.00 9.15 H new -ATOM 0 2HB PHE D 237 2.685 43.134 -57.378 1.00 9.15 H new -ATOM 0 HD1 PHE D 237 0.499 40.950 -55.803 1.00 18.95 H new -ATOM 0 HD2 PHE D 237 0.538 44.084 -58.729 1.00 13.58 H new -ATOM 0 HE1 PHE D 237 -1.891 41.395 -55.343 1.00 13.33 H new -ATOM 0 HE2 PHE D 237 -1.850 44.548 -58.274 1.00 14.40 H new -ATOM 0 HZ PHE D 237 -3.092 43.157 -56.609 1.00 12.96 H new -ATOM 1513 N GLY D 238 4.363 42.782 -59.961 1.00 10.98 -ATOM 1514 CA GLY D 238 5.768 42.956 -60.264 1.00 13.42 -ATOM 1515 C GLY D 238 6.053 43.887 -61.423 1.00 17.48 -ATOM 1516 O GLY D 238 7.055 44.611 -61.400 1.00 15.10 -ATOM 0 H GLY D 238 3.764 43.476 -60.360 1.00 10.98 H new -ATOM 0 1HA GLY D 238 6.278 43.341 -59.368 1.00 13.42 H new -ATOM 0 2HA GLY D 238 6.206 41.972 -60.486 1.00 13.42 H new -ATOM 1517 N HIS D 239 5.186 43.868 -62.435 1.00 14.12 -ATOM 1518 CA HIS D 239 5.383 44.709 -63.607 1.00 18.06 -ATOM 1519 C HIS D 239 5.225 46.176 -63.241 1.00 21.61 -ATOM 1520 O HIS D 239 4.245 46.566 -62.593 1.00 18.14 -ATOM 1521 CB HIS D 239 4.398 44.362 -64.720 1.00 19.80 -ATOM 1522 CG HIS D 239 4.838 43.245 -65.610 1.00 16.81 -ATOM 1523 ND1 HIS D 239 5.402 43.257 -66.840 1.00 20.95 flip -ATOM 1524 CD2 HIS D 239 4.669 41.917 -65.281 1.00 20.76 flip -ATOM 1525 CE1 HIS D 239 5.578 41.948 -67.219 1.00 16.59 flip -ATOM 1526 NE2 HIS D 239 5.124 41.159 -66.263 1.00 14.32 flip -ATOM 0 H HIS D 239 4.366 43.296 -62.464 1.00 14.12 H new -ATOM 0 HA HIS D 239 6.404 44.524 -63.972 1.00 18.06 H new -ATOM 0 1HB HIS D 239 3.432 44.094 -64.267 1.00 19.80 H new -ATOM 0 2HB HIS D 239 4.228 45.258 -65.334 1.00 19.80 H new -ATOM 0 HD1 HIS D 239 5.645 44.067 -67.373 1.00 20.95 H new -ATOM 0 HD2 HIS D 239 4.224 41.546 -64.346 1.00 20.76 H new -ATOM 0 HE1 HIS D 239 6.025 41.612 -68.166 1.00 16.59 H new -ATOM 1527 N LYS D 240 6.199 46.980 -63.667 1.00 24.84 -ATOM 1528 CA LYS D 240 6.145 48.430 -63.518 1.00 15.08 -ATOM 1529 C LYS D 240 5.535 49.087 -64.751 1.00 14.98 -ATOM 1530 O LYS D 240 5.165 50.246 -64.713 1.00 19.90 -ATOM 1531 CB LYS D 240 7.545 48.987 -63.249 1.00 18.02 -ATOM 1532 CG LYS D 240 7.940 48.934 -61.772 1.00 30.87 -ATOM 1533 CD LYS D 240 9.371 48.474 -61.558 1.00 30.81 -ATOM 1534 CE LYS D 240 10.406 49.498 -62.016 1.00 64.67 -ATOM 1535 NZ LYS D 240 10.666 50.547 -60.989 1.00 89.42 -ATOM 0 H LYS D 240 7.029 46.649 -64.115 1.00 24.84 H new -ATOM 0 HA LYS D 240 5.500 48.663 -62.658 1.00 15.08 H new -ATOM 0 1HB LYS D 240 8.279 48.418 -63.839 1.00 18.02 H new -ATOM 0 2HB LYS D 240 7.591 50.029 -63.597 1.00 18.02 H new -ATOM 0 1HG LYS D 240 7.811 49.932 -61.327 1.00 30.87 H new -ATOM 0 2HG LYS D 240 7.258 48.254 -61.240 1.00 30.87 H new -ATOM 0 1HD LYS D 240 9.525 48.259 -60.490 1.00 30.81 H new -ATOM 0 2HD LYS D 240 9.532 47.531 -62.102 1.00 30.81 H new -ATOM 0 1HE LYS D 240 11.348 48.981 -62.254 1.00 64.67 H new -ATOM 0 2HE LYS D 240 10.058 49.976 -62.944 1.00 64.67 H new -ATOM 0 1HZ LYS D 240 11.348 51.191 -61.335 1.00 89.42 H + new -ATOM 0 2HZ LYS D 240 9.817 51.036 -60.789 1.00 89.42 H + new -ATOM 0 3HZ LYS D 240 11.007 50.118 -60.153 1.00 89.42 H + new -ATOM 1536 N HIS D 241 5.407 48.329 -65.834 1.00 19.10 -ATOM 1537 CA HIS D 241 4.938 48.871 -67.101 1.00 14.42 -ATOM 1538 C HIS D 241 3.893 47.971 -67.720 1.00 17.92 -ATOM 1539 O HIS D 241 3.671 46.863 -67.239 1.00 16.70 -ATOM 1540 CB HIS D 241 6.123 49.102 -68.031 1.00 12.12 -ATOM 1541 CG HIS D 241 7.150 50.019 -67.441 1.00 26.20 -ATOM 1542 ND1 HIS D 241 6.980 51.388 -67.379 1.00 21.80 -ATOM 1543 CD2 HIS D 241 8.330 49.760 -66.830 1.00 19.95 -ATOM 1544 CE1 HIS D 241 8.027 51.931 -66.782 1.00 26.58 -ATOM 1545 NE2 HIS D 241 8.863 50.965 -66.444 1.00 17.01 -ATOM 0 H HIS D 241 5.619 47.352 -65.858 1.00 19.10 H new -ATOM 0 HA HIS D 241 4.452 49.842 -66.923 1.00 14.42 H new -ATOM 0 1HB HIS D 241 6.593 48.136 -68.267 1.00 12.12 H new -ATOM 0 2HB HIS D 241 5.762 49.525 -68.980 1.00 12.12 H new -ATOM 0 HD2 HIS D 241 8.779 48.768 -66.672 1.00 19.95 H new -ATOM 0 HE1 HIS D 241 8.177 53.005 -66.598 1.00 26.58 H new -ATOM 0 HE2 HIS D 241 9.741 51.091 -65.982 1.00 17.01 H new -ATOM 1546 N PHE D 242 3.225 48.445 -68.764 1.00 12.79 -ATOM 1547 CA PHE D 242 2.179 47.641 -69.362 1.00 11.30 -ATOM 1548 C PHE D 242 2.712 46.233 -69.670 1.00 18.59 -ATOM 1549 O PHE D 242 3.906 46.032 -69.926 1.00 12.22 -ATOM 1550 CB PHE D 242 1.647 48.306 -70.621 1.00 17.24 -ATOM 1551 CG PHE D 242 2.657 48.416 -71.724 1.00 24.19 -ATOM 1552 CD1 PHE D 242 2.705 47.470 -72.739 1.00 28.68 -ATOM 1553 CD2 PHE D 242 3.555 49.473 -71.754 1.00 28.06 -ATOM 1554 CE1 PHE D 242 3.638 47.580 -73.765 1.00 28.42 -ATOM 1555 CE2 PHE D 242 4.481 49.588 -72.768 1.00 16.34 -ATOM 1556 CZ PHE D 242 4.522 48.639 -73.775 1.00 23.13 -ATOM 0 H PHE D 242 3.381 49.336 -69.191 1.00 12.79 H new -ATOM 0 HA PHE D 242 1.346 47.553 -68.649 1.00 11.30 H new -ATOM 0 1HB PHE D 242 0.780 47.736 -70.987 1.00 17.24 H new -ATOM 0 2HB PHE D 242 1.285 49.313 -70.367 1.00 17.24 H new -ATOM 0 HD1 PHE D 242 1.999 46.626 -72.732 1.00 28.68 H new -ATOM 0 HD2 PHE D 242 3.527 50.230 -70.957 1.00 28.06 H new -ATOM 0 HE1 PHE D 242 3.671 46.826 -74.565 1.00 28.42 H new -ATOM 0 HE2 PHE D 242 5.186 50.432 -72.777 1.00 16.34 H new -ATOM 0 HZ PHE D 242 5.261 48.730 -74.585 1.00 23.13 H new -ATOM 1557 N VAL D 243 1.835 45.242 -69.615 1.00 14.90 -ATOM 1558 CA VAL D 243 2.264 43.921 -70.020 1.00 15.74 -ATOM 1559 C VAL D 243 1.600 43.603 -71.331 1.00 16.15 -ATOM 1560 O VAL D 243 0.411 43.861 -71.509 1.00 12.75 -ATOM 1561 CB VAL D 243 2.091 42.806 -68.923 1.00 15.98 -ATOM 1562 CG1 VAL D 243 1.752 43.334 -67.545 1.00 6.89 -ATOM 1563 CG2 VAL D 243 1.360 41.534 -69.406 1.00 10.69 -ATOM 0 H VAL D 243 0.885 45.321 -69.314 1.00 14.90 H new -ATOM 0 HA VAL D 243 3.356 43.930 -70.155 1.00 15.74 H new -ATOM 0 HB VAL D 243 3.101 42.404 -68.752 1.00 15.98 H new -ATOM 0 1HG1 VAL D 243 1.650 42.492 -66.844 1.00 6.89 H new -ATOM 0 2HG1 VAL D 243 2.555 44.002 -67.200 1.00 6.89 H new -ATOM 0 3HG1 VAL D 243 0.805 43.892 -67.588 1.00 6.89 H new -ATOM 0 1HG2 VAL D 243 1.286 40.815 -68.576 1.00 10.69 H new -ATOM 0 2HG2 VAL D 243 0.350 41.800 -69.751 1.00 10.69 H new -ATOM 0 3HG2 VAL D 243 1.922 41.080 -70.235 1.00 10.69 H new -ATOM 1564 N SER D 244 2.386 43.088 -72.263 1.00 9.44 -ATOM 1565 CA SER D 244 1.888 42.881 -73.609 1.00 20.06 -ATOM 1566 C SER D 244 1.661 41.402 -73.894 1.00 13.99 -ATOM 1567 O SER D 244 0.825 41.034 -74.703 1.00 13.17 -ATOM 1568 CB SER D 244 2.879 43.440 -74.625 1.00 14.30 -ATOM 1569 OG SER D 244 4.023 42.603 -74.699 1.00 24.83 -ATOM 0 H SER D 244 3.337 42.816 -72.117 1.00 9.44 H new -ATOM 0 HA SER D 244 0.926 43.407 -73.695 1.00 20.06 H new -ATOM 0 1HB SER D 244 3.177 44.459 -74.337 1.00 14.30 H new -ATOM 0 2HB SER D 244 2.402 43.512 -75.614 1.00 14.30 H new -ATOM 0 HG SER D 244 4.769 43.096 -75.146 1.00 24.83 H new -ATOM 1570 N SER D 245 2.416 40.548 -73.233 1.00 11.56 -ATOM 1571 CA SER D 245 2.428 39.168 -73.649 1.00 11.03 -ATOM 1572 C SER D 245 2.674 38.215 -72.498 1.00 7.73 -ATOM 1573 O SER D 245 3.536 38.452 -71.647 1.00 6.89 -ATOM 1574 CB SER D 245 3.472 38.969 -74.753 1.00 10.39 -ATOM 1575 OG SER D 245 3.437 37.655 -75.267 1.00 14.77 -ATOM 0 H SER D 245 2.996 40.772 -72.450 1.00 11.56 H new -ATOM 0 HA SER D 245 1.428 38.931 -74.042 1.00 11.03 H new -ATOM 0 1HB SER D 245 4.475 39.182 -74.354 1.00 10.39 H new -ATOM 0 2HB SER D 245 3.290 39.687 -75.566 1.00 10.39 H new -ATOM 0 HG SER D 245 2.796 37.613 -76.033 1.00 14.77 H new -ATOM 1576 N ILE D 246 1.918 37.121 -72.507 1.00 6.89 -ATOM 1577 CA ILE D 246 2.092 36.056 -71.537 1.00 14.11 -ATOM 1578 C ILE D 246 2.183 34.736 -72.263 1.00 11.98 -ATOM 1579 O ILE D 246 1.514 34.531 -73.263 1.00 10.47 -ATOM 1580 CB ILE D 246 0.898 36.015 -70.546 1.00 11.78 -ATOM 1581 CG1 ILE D 246 1.012 37.146 -69.541 1.00 8.29 -ATOM 1582 CG2 ILE D 246 0.825 34.713 -69.812 1.00 12.02 -ATOM 1583 CD1 ILE D 246 -0.295 37.397 -68.815 1.00 30.65 -ATOM 0 H ILE D 246 1.188 36.956 -73.171 1.00 6.89 H new -ATOM 0 HA ILE D 246 3.015 36.242 -70.968 1.00 14.11 H new -ATOM 0 HB ILE D 246 -0.021 36.128 -71.140 1.00 11.78 H new -ATOM 0 1HG1 ILE D 246 1.797 36.906 -68.808 1.00 8.29 H new -ATOM 0 2HG1 ILE D 246 1.325 38.065 -70.059 1.00 8.29 H new -ATOM 0 1HG2 ILE D 246 -0.032 34.727 -69.123 1.00 12.02 H new -ATOM 0 2HG2 ILE D 246 0.702 33.891 -70.533 1.00 12.02 H new -ATOM 0 3HG2 ILE D 246 1.752 34.562 -69.240 1.00 12.02 H new -ATOM 0 1HD1 ILE D 246 -0.165 38.222 -68.099 1.00 30.65 H new -ATOM 0 2HD1 ILE D 246 -1.075 37.664 -69.544 1.00 30.65 H new -ATOM 0 3HD1 ILE D 246 -0.595 36.487 -68.274 1.00 30.65 H new -ATOM 1584 N CYS D 247 3.021 33.838 -71.775 1.00 9.68 -ATOM 1585 CA CYS D 247 2.928 32.463 -72.240 1.00 21.42 -ATOM 1586 C CYS D 247 3.014 31.479 -71.070 1.00 16.33 -ATOM 1587 O CYS D 247 3.767 31.682 -70.124 1.00 11.79 -ATOM 1588 CB CYS D 247 3.934 32.153 -73.355 1.00 22.55 -ATOM 1589 SG CYS D 247 5.558 31.547 -72.859 1.00 26.79 -ATOM 0 H CYS D 247 3.733 34.019 -71.097 1.00 9.68 H new -ATOM 0 HA CYS D 247 1.935 32.334 -72.696 1.00 21.42 H new -ATOM 0 1HB CYS D 247 3.482 31.406 -74.024 1.00 22.55 H new -ATOM 0 2HB CYS D 247 4.079 33.069 -73.947 1.00 22.55 H new -ATOM 0 HG CYS D 247 6.283 31.333 -73.917 1.00 26.79 H new -ATOM 1590 N CYS D 248 2.221 30.419 -71.143 1.00 16.54 -ATOM 1591 CA CYS D 248 2.122 29.456 -70.048 1.00 31.32 -ATOM 1592 C CYS D 248 3.012 28.248 -70.262 1.00 28.94 -ATOM 1593 O CYS D 248 3.015 27.656 -71.342 1.00 30.83 -ATOM 1594 CB CYS D 248 0.674 29.013 -69.868 1.00 17.67 -ATOM 1595 SG CYS D 248 -0.493 30.387 -69.850 1.00 43.85 -ATOM 0 H CYS D 248 1.646 30.206 -71.933 1.00 16.54 H new -ATOM 0 HA CYS D 248 2.470 29.962 -69.136 1.00 31.32 H new -ATOM 0 1HB CYS D 248 0.405 28.323 -70.681 1.00 17.67 H new -ATOM 0 2HB CYS D 248 0.584 28.452 -68.926 1.00 17.67 H new -ATOM 0 HG CYS D 248 -1.637 29.991 -70.324 1.00 43.85 H new -ATOM 1596 N GLY D 249 3.763 27.887 -69.224 1.00 29.42 -ATOM 1597 CA GLY D 249 4.683 26.760 -69.285 1.00 43.96 -ATOM 1598 C GLY D 249 4.267 25.527 -68.487 1.00 36.64 -ATOM 1599 O GLY D 249 3.093 25.329 -68.185 1.00 30.32 -ATOM 0 H GLY D 249 3.750 28.356 -68.341 1.00 29.42 H new -ATOM 0 1HA GLY D 249 4.808 26.468 -70.338 1.00 43.96 H new -ATOM 0 2HA GLY D 249 5.667 27.093 -68.925 1.00 43.96 H new -ATOM 1600 N LYS D 250 5.245 24.693 -68.154 1.00 40.12 -ATOM 1601 CA LYS D 250 4.995 23.470 -67.403 1.00 34.26 -ATOM 1602 C LYS D 250 5.033 23.714 -65.901 1.00 28.50 -ATOM 1603 O LYS D 250 5.769 24.578 -65.416 1.00 24.90 -ATOM 1604 CB LYS D 250 6.014 22.383 -67.777 1.00 39.30 -ATOM 1605 CG LYS D 250 5.576 21.461 -68.915 1.00 74.95 -ATOM 1606 CD LYS D 250 5.720 22.114 -70.288 1.00 87.05 -ATOM 1607 CE LYS D 250 5.143 21.227 -71.393 1.00 78.50 -ATOM 1608 NZ LYS D 250 5.701 19.847 -71.368 1.00 80.06 -ATOM 0 H LYS D 250 6.206 24.841 -68.390 1.00 40.12 H new -ATOM 0 HA LYS D 250 3.985 23.127 -67.671 1.00 34.26 H new -ATOM 0 1HB LYS D 250 6.960 22.868 -68.060 1.00 39.30 H new -ATOM 0 2HB LYS D 250 6.220 21.771 -66.886 1.00 39.30 H new -ATOM 0 1HG LYS D 250 6.176 20.539 -68.887 1.00 74.95 H new -ATOM 0 2HG LYS D 250 4.527 21.167 -68.761 1.00 74.95 H new -ATOM 0 1HD LYS D 250 5.205 23.086 -70.289 1.00 87.05 H new -ATOM 0 2HD LYS D 250 6.783 22.312 -70.492 1.00 87.05 H new -ATOM 0 1HE LYS D 250 4.049 21.178 -71.286 1.00 78.50 H new -ATOM 0 2HE LYS D 250 5.350 21.685 -72.371 1.00 78.50 H new -ATOM 0 1HZ LYS D 250 5.478 19.381 -72.224 1.00 80.06 H + new -ATOM 0 2HZ LYS D 250 6.694 19.890 -71.262 1.00 80.06 H + new -ATOM 0 3HZ LYS D 250 5.306 19.341 -70.601 1.00 80.06 H + new -ATOM 1609 N ASP D 251 4.250 22.921 -65.178 1.00 28.75 -ATOM 1610 CA ASP D 251 4.177 22.990 -63.721 1.00 30.25 -ATOM 1611 C ASP D 251 3.973 24.411 -63.208 1.00 21.66 -ATOM 1612 O ASP D 251 4.795 24.925 -62.450 1.00 14.15 -ATOM 1613 CB ASP D 251 5.415 22.366 -63.070 1.00 27.23 -ATOM 1614 CG ASP D 251 5.219 22.106 -61.580 1.00 55.91 -ATOM 1615 OD1 ASP D 251 4.087 21.722 -61.183 1.00 46.62 -ATOM 1616 OD2 ASP D 251 6.191 22.288 -60.810 1.00 42.20 -ATOM 0 H ASP D 251 3.657 22.223 -65.579 1.00 28.75 H new -ATOM 0 HA ASP D 251 3.291 22.406 -63.432 1.00 30.25 H new -ATOM 0 1HB ASP D 251 5.654 21.419 -63.576 1.00 27.23 H new -ATOM 0 2HB ASP D 251 6.277 23.034 -63.213 1.00 27.23 H new -ATOM 1617 N TYR D 252 2.877 25.028 -63.646 1.00 14.65 -ATOM 1618 CA TYR D 252 2.480 26.356 -63.196 1.00 22.39 -ATOM 1619 C TYR D 252 3.487 27.467 -63.504 1.00 16.70 -ATOM 1620 O TYR D 252 3.426 28.537 -62.909 1.00 20.62 -ATOM 1621 CB TYR D 252 2.137 26.332 -61.697 1.00 14.89 -ATOM 1622 CG TYR D 252 1.055 25.342 -61.378 1.00 18.62 -ATOM 1623 CD1 TYR D 252 1.336 24.188 -60.658 1.00 25.86 -ATOM 1624 CD2 TYR D 252 -0.243 25.542 -61.818 1.00 17.99 -ATOM 1625 CE1 TYR D 252 0.348 23.267 -60.371 1.00 23.41 -ATOM 1626 CE2 TYR D 252 -1.238 24.630 -61.535 1.00 25.70 -ATOM 1627 CZ TYR D 252 -0.939 23.493 -60.808 1.00 30.83 -ATOM 1628 OH TYR D 252 -1.923 22.571 -60.525 1.00 32.19 -ATOM 0 H TYR D 252 2.250 24.625 -64.313 1.00 14.65 H new -ATOM 0 HA TYR D 252 1.586 26.610 -63.784 1.00 22.39 H new -ATOM 0 1HB TYR D 252 3.040 26.084 -61.120 1.00 14.89 H new -ATOM 0 2HB TYR D 252 1.818 27.336 -61.380 1.00 14.89 H new -ATOM 0 HD1 TYR D 252 2.363 24.005 -60.310 1.00 25.86 H new -ATOM 0 HD2 TYR D 252 -0.484 26.442 -62.402 1.00 17.99 H new -ATOM 0 HE1 TYR D 252 0.587 22.359 -59.797 1.00 23.41 H new -ATOM 0 HE2 TYR D 252 -2.265 24.807 -61.886 1.00 25.70 H new -ATOM 0 HH TYR D 252 -1.513 21.664 -60.432 1.00 32.19 H new -ATOM 1629 N LEU D 253 4.408 27.227 -64.427 1.00 19.44 -ATOM 1630 CA LEU D 253 5.320 28.290 -64.809 1.00 21.40 -ATOM 1631 C LEU D 253 4.625 29.222 -65.784 1.00 19.68 -ATOM 1632 O LEU D 253 3.938 28.792 -66.707 1.00 13.22 -ATOM 1633 CB LEU D 253 6.618 27.752 -65.397 1.00 17.88 -ATOM 1634 CG LEU D 253 7.554 28.814 -65.970 1.00 24.66 -ATOM 1635 CD1 LEU D 253 8.050 29.798 -64.920 1.00 14.57 -ATOM 1636 CD2 LEU D 253 8.724 28.134 -66.655 1.00 28.49 -ATOM 0 H LEU D 253 4.538 26.355 -64.900 1.00 19.44 H new -ATOM 0 HA LEU D 253 5.597 28.848 -63.902 1.00 21.40 H new -ATOM 0 1HB LEU D 253 7.155 27.195 -64.615 1.00 17.88 H new -ATOM 0 2HB LEU D 253 6.373 27.033 -66.193 1.00 17.88 H new -ATOM 0 HG LEU D 253 6.979 29.404 -66.698 1.00 24.66 H new -ATOM 0 1HD1 LEU D 253 8.717 30.534 -65.393 1.00 14.57 H new -ATOM 0 2HD1 LEU D 253 7.192 30.318 -64.469 1.00 14.57 H new -ATOM 0 3HD1 LEU D 253 8.601 29.254 -64.138 1.00 14.57 H new -ATOM 0 1HD2 LEU D 253 9.401 28.896 -67.069 1.00 28.49 H new -ATOM 0 2HD2 LEU D 253 9.269 27.518 -65.925 1.00 28.49 H new -ATOM 0 3HD2 LEU D 253 8.352 27.494 -67.469 1.00 28.49 H new -ATOM 1637 N LEU D 254 4.766 30.511 -65.531 1.00 16.35 -ATOM 1638 CA LEU D 254 4.210 31.514 -66.413 1.00 19.61 -ATOM 1639 C LEU D 254 5.320 32.500 -66.731 1.00 13.76 -ATOM 1640 O LEU D 254 6.179 32.795 -65.892 1.00 6.89 -ATOM 1641 CB LEU D 254 3.024 32.219 -65.748 1.00 19.75 -ATOM 1642 CG LEU D 254 2.095 32.991 -66.668 1.00 16.51 -ATOM 1643 CD1 LEU D 254 1.063 32.044 -67.249 1.00 31.84 -ATOM 1644 CD2 LEU D 254 1.414 34.111 -65.918 1.00 32.45 -ATOM 0 H LEU D 254 5.251 30.878 -64.737 1.00 16.35 H new -ATOM 0 HA LEU D 254 3.832 31.053 -67.337 1.00 19.61 H new -ATOM 0 1HB LEU D 254 2.430 31.464 -65.213 1.00 19.75 H new -ATOM 0 2HB LEU D 254 3.416 32.915 -64.992 1.00 19.75 H new -ATOM 0 HG LEU D 254 2.684 33.435 -67.484 1.00 16.51 H new -ATOM 0 1HD1 LEU D 254 0.388 32.601 -67.916 1.00 31.84 H new -ATOM 0 2HD1 LEU D 254 1.571 31.252 -67.819 1.00 31.84 H new -ATOM 0 3HD1 LEU D 254 0.480 31.591 -66.434 1.00 31.84 H new -ATOM 0 1HD2 LEU D 254 0.747 34.657 -66.601 1.00 32.45 H new -ATOM 0 2HD2 LEU D 254 0.826 33.693 -65.088 1.00 32.45 H new -ATOM 0 3HD2 LEU D 254 2.173 34.800 -65.519 1.00 32.45 H new -ATOM 1645 N LEU D 255 5.321 32.962 -67.970 1.00 16.71 -ATOM 1646 CA LEU D 255 6.267 33.966 -68.414 1.00 11.71 -ATOM 1647 C LEU D 255 5.505 35.199 -68.912 1.00 10.60 -ATOM 1648 O LEU D 255 4.538 35.073 -69.670 1.00 10.05 -ATOM 1649 CB LEU D 255 7.154 33.383 -69.503 1.00 19.53 -ATOM 1650 CG LEU D 255 8.596 33.061 -69.104 1.00 26.31 -ATOM 1651 CD1 LEU D 255 8.682 32.206 -67.878 1.00 13.89 -ATOM 1652 CD2 LEU D 255 9.322 32.394 -70.244 1.00 28.45 -ATOM 0 H LEU D 255 4.682 32.659 -68.677 1.00 16.71 H new -ATOM 0 HA LEU D 255 6.912 34.275 -67.578 1.00 11.71 H new -ATOM 0 1HB LEU D 255 6.684 32.460 -69.873 1.00 19.53 H new -ATOM 0 2HB LEU D 255 7.179 34.091 -70.344 1.00 19.53 H new -ATOM 0 HG LEU D 255 9.078 34.021 -68.867 1.00 26.31 H new -ATOM 0 1HD1 LEU D 255 9.738 32.009 -67.641 1.00 13.89 H new -ATOM 0 2HD1 LEU D 255 8.208 32.727 -67.033 1.00 13.89 H new -ATOM 0 3HD1 LEU D 255 8.163 31.253 -68.058 1.00 13.89 H new -ATOM 0 1HD2 LEU D 255 10.355 32.170 -69.940 1.00 28.45 H new -ATOM 0 2HD2 LEU D 255 8.808 31.459 -70.510 1.00 28.45 H new -ATOM 0 3HD2 LEU D 255 9.334 33.066 -71.115 1.00 28.45 H new -ATOM 1653 N SER D 256 5.920 36.385 -68.476 1.00 7.61 -ATOM 1654 CA SER D 256 5.252 37.616 -68.933 1.00 8.40 -ATOM 1655 C SER D 256 6.232 38.692 -69.314 1.00 9.27 -ATOM 1656 O SER D 256 7.335 38.761 -68.770 1.00 11.01 -ATOM 1657 CB SER D 256 4.275 38.161 -67.877 1.00 13.50 -ATOM 1658 OG SER D 256 4.954 38.570 -66.706 1.00 10.13 -ATOM 0 H SER D 256 6.677 36.524 -67.838 1.00 7.61 H new -ATOM 0 HA SER D 256 4.684 37.333 -69.832 1.00 8.40 H new -ATOM 0 1HB SER D 256 3.537 37.386 -67.623 1.00 13.50 H new -ATOM 0 2HB SER D 256 3.717 39.012 -68.295 1.00 13.50 H new -ATOM 0 HG SER D 256 5.296 39.502 -66.827 1.00 10.13 H new -ATOM 1659 N ALA D 257 5.810 39.551 -70.235 1.00 9.52 -ATOM 1660 CA ALA D 257 6.653 40.655 -70.710 1.00 14.62 -ATOM 1661 C ALA D 257 5.863 41.857 -71.238 1.00 10.63 -ATOM 1662 O ALA D 257 4.646 41.818 -71.389 1.00 10.46 -ATOM 1663 CB ALA D 257 7.623 40.151 -71.801 1.00 10.02 -ATOM 0 H ALA D 257 4.907 39.509 -70.663 1.00 9.52 H new -ATOM 0 HA ALA D 257 7.211 41.010 -69.831 1.00 14.62 H new -ATOM 0 1HB ALA D 257 8.249 40.985 -72.149 1.00 10.02 H new -ATOM 0 2HB ALA D 257 8.265 39.360 -71.385 1.00 10.02 H new -ATOM 0 3HB ALA D 257 7.047 39.748 -72.647 1.00 10.02 H new -ATOM 1664 N GLY D 258 6.586 42.920 -71.548 1.00 11.56 -ATOM 1665 CA GLY D 258 5.998 44.091 -72.165 1.00 9.68 -ATOM 1666 C GLY D 258 6.907 45.285 -72.011 1.00 15.67 -ATOM 1667 O GLY D 258 8.088 45.217 -72.326 1.00 19.09 -ATOM 0 H GLY D 258 7.570 42.992 -71.383 1.00 11.56 H new -ATOM 0 1HA GLY D 258 5.815 43.897 -73.232 1.00 9.68 H new -ATOM 0 2HA GLY D 258 5.022 44.304 -71.705 1.00 9.68 H new -ATOM 1668 N GLY D 259 6.367 46.382 -71.498 1.00 14.26 -ATOM 1669 CA GLY D 259 7.130 47.605 -71.398 1.00 16.36 -ATOM 1670 C GLY D 259 8.312 47.524 -70.463 1.00 11.68 -ATOM 1671 O GLY D 259 9.214 48.350 -70.525 1.00 15.86 -ATOM 0 H GLY D 259 5.429 46.443 -71.156 1.00 14.26 H new -ATOM 0 1HA GLY D 259 7.488 47.883 -72.400 1.00 16.36 H new -ATOM 0 2HA GLY D 259 6.464 48.412 -71.059 1.00 16.36 H new -ATOM 1672 N ASP D 260 8.308 46.541 -69.581 1.00 14.35 -ATOM 1673 CA ASP D 260 9.371 46.434 -68.592 1.00 23.50 -ATOM 1674 C ASP D 260 10.708 46.060 -69.224 1.00 17.51 -ATOM 1675 O ASP D 260 10.772 45.630 -70.357 1.00 15.46 -ATOM 1676 CB ASP D 260 9.024 45.410 -67.502 1.00 15.15 -ATOM 1677 CG ASP D 260 8.171 45.997 -66.386 1.00 24.89 -ATOM 1678 OD1 ASP D 260 6.951 46.162 -66.598 1.00 20.54 -ATOM 1679 OD2 ASP D 260 8.714 46.257 -65.286 1.00 23.63 -ATOM 0 H ASP D 260 7.608 45.829 -69.528 1.00 14.35 H new -ATOM 0 HA ASP D 260 9.466 47.431 -68.136 1.00 23.50 H new -ATOM 0 1HB ASP D 260 8.490 44.564 -67.958 1.00 15.15 H new -ATOM 0 2HB ASP D 260 9.954 45.009 -67.073 1.00 15.15 H new -ATOM 1680 N ASP D 261 11.751 46.190 -68.419 1.00 32.47 -ATOM 1681 CA ASP D 261 13.132 45.971 -68.788 1.00 24.21 -ATOM 1682 C ASP D 261 13.479 44.493 -68.663 1.00 23.87 -ATOM 1683 O ASP D 261 14.593 44.075 -68.971 1.00 14.70 -ATOM 1684 CB ASP D 261 13.985 46.718 -67.767 1.00 34.15 -ATOM 1685 CG ASP D 261 14.948 47.664 -68.398 1.00 45.30 -ATOM 1686 OD1 ASP D 261 14.534 48.370 -69.344 1.00 53.61 -ATOM 1687 OD2 ASP D 261 16.108 47.714 -67.935 1.00 59.36 -ATOM 0 H ASP D 261 11.649 46.460 -67.462 1.00 32.47 H new -ATOM 0 HA ASP D 261 13.304 46.309 -69.821 1.00 24.21 H new -ATOM 0 1HB ASP D 261 13.327 47.274 -67.084 1.00 34.15 H new -ATOM 0 2HB ASP D 261 14.540 45.990 -67.157 1.00 34.15 H new -ATOM 1688 N LYS D 262 12.536 43.711 -68.152 1.00 19.62 -ATOM 1689 CA LYS D 262 12.816 42.336 -67.769 1.00 20.47 -ATOM 1690 C LYS D 262 11.704 41.405 -68.208 1.00 14.81 -ATOM 1691 O LYS D 262 10.570 41.821 -68.407 1.00 12.76 -ATOM 1692 CB LYS D 262 12.962 42.220 -66.257 1.00 28.42 -ATOM 1693 CG LYS D 262 13.465 43.456 -65.557 1.00 23.86 -ATOM 1694 CD LYS D 262 13.151 43.392 -64.082 1.00 32.41 -ATOM 1695 CE LYS D 262 14.050 44.315 -63.293 1.00 54.15 -ATOM 1696 NZ LYS D 262 15.486 43.990 -63.525 1.00 59.49 -ATOM 0 H LYS D 262 11.591 44.001 -67.997 1.00 19.62 H new -ATOM 0 HA LYS D 262 13.754 42.048 -68.266 1.00 20.47 H new -ATOM 0 1HB LYS D 262 11.984 41.951 -65.831 1.00 28.42 H new -ATOM 0 2HB LYS D 262 13.648 41.389 -66.035 1.00 28.42 H new -ATOM 0 1HG LYS D 262 14.551 43.552 -65.703 1.00 23.86 H new -ATOM 0 2HG LYS D 262 13.001 44.350 -65.999 1.00 23.86 H new -ATOM 0 1HD LYS D 262 12.099 43.668 -63.915 1.00 32.41 H new -ATOM 0 2HD LYS D 262 13.273 42.360 -63.722 1.00 32.41 H new -ATOM 0 1HE LYS D 262 13.855 45.358 -63.582 1.00 54.15 H new -ATOM 0 2HE LYS D 262 13.819 44.230 -62.221 1.00 54.15 H new -ATOM 0 1HZ LYS D 262 16.019 44.234 -62.715 1.00 59.49 H + new -ATOM 0 2HZ LYS D 262 15.582 43.011 -63.704 1.00 59.49 H + new -ATOM 0 3HZ LYS D 262 15.822 44.507 -64.312 1.00 59.49 H + new -ATOM 1697 N ILE D 263 12.050 40.141 -68.388 1.00 14.94 -ATOM 1698 CA ILE D 263 11.055 39.115 -68.579 1.00 17.90 -ATOM 1699 C ILE D 263 10.746 38.596 -67.186 1.00 16.16 -ATOM 1700 O ILE D 263 11.651 38.409 -66.373 1.00 11.59 -ATOM 1701 CB ILE D 263 11.573 37.980 -69.480 1.00 17.36 -ATOM 1702 CG1 ILE D 263 11.327 38.292 -70.958 1.00 25.33 -ATOM 1703 CG2 ILE D 263 10.827 36.723 -69.212 1.00 16.99 -ATOM 1704 CD1 ILE D 263 11.955 39.542 -71.455 1.00 11.80 -ATOM 0 H ILE D 263 12.995 39.814 -68.405 1.00 14.94 H new -ATOM 0 HA ILE D 263 10.162 39.514 -69.083 1.00 17.90 H new -ATOM 0 HB ILE D 263 12.647 37.877 -69.265 1.00 17.36 H new -ATOM 0 1HG1 ILE D 263 11.699 37.450 -71.560 1.00 25.33 H new -ATOM 0 2HG1 ILE D 263 10.242 38.354 -71.127 1.00 25.33 H new -ATOM 0 1HG2 ILE D 263 11.209 35.923 -69.863 1.00 16.99 H new -ATOM 0 2HG2 ILE D 263 10.961 36.434 -68.159 1.00 16.99 H new -ATOM 0 3HG2 ILE D 263 9.757 36.881 -69.415 1.00 16.99 H new -ATOM 0 1HD1 ILE D 263 11.719 39.673 -72.521 1.00 11.80 H new -ATOM 0 2HD1 ILE D 263 11.566 40.400 -70.886 1.00 11.80 H new -ATOM 0 3HD1 ILE D 263 13.046 39.481 -71.326 1.00 11.80 H new -ATOM 1705 N PHE D 264 9.466 38.395 -66.901 1.00 14.20 -ATOM 1706 CA PHE D 264 9.050 37.961 -65.569 1.00 18.23 -ATOM 1707 C PHE D 264 8.690 36.481 -65.576 1.00 14.96 -ATOM 1708 O PHE D 264 8.044 35.993 -66.512 1.00 11.64 -ATOM 1709 CB PHE D 264 7.869 38.805 -65.068 1.00 9.96 -ATOM 1710 CG PHE D 264 8.262 40.175 -64.577 1.00 21.28 -ATOM 1711 CD1 PHE D 264 8.506 41.214 -65.474 1.00 12.14 -ATOM 1712 CD2 PHE D 264 8.379 40.431 -63.215 1.00 15.39 -ATOM 1713 CE1 PHE D 264 8.862 42.473 -65.022 1.00 21.13 -ATOM 1714 CE2 PHE D 264 8.749 41.683 -62.760 1.00 12.48 -ATOM 1715 CZ PHE D 264 8.989 42.715 -63.664 1.00 12.58 -ATOM 0 H PHE D 264 8.718 38.521 -67.552 1.00 14.20 H new -ATOM 0 HA PHE D 264 9.894 38.107 -64.879 1.00 18.23 H new -ATOM 0 1HB PHE D 264 7.138 38.914 -65.882 1.00 9.96 H new -ATOM 0 2HB PHE D 264 7.365 38.265 -64.253 1.00 9.96 H new -ATOM 0 HD1 PHE D 264 8.414 41.031 -66.555 1.00 12.14 H new -ATOM 0 HD2 PHE D 264 8.175 39.628 -62.491 1.00 15.39 H new -ATOM 0 HE1 PHE D 264 9.045 43.283 -65.743 1.00 21.13 H new -ATOM 0 HE2 PHE D 264 8.854 41.865 -61.680 1.00 12.48 H new -ATOM 0 HZ PHE D 264 9.277 43.713 -63.303 1.00 12.58 H new -ATOM 1716 N ALA D 265 9.132 35.770 -64.543 1.00 11.89 -ATOM 1717 CA ALA D 265 8.765 34.366 -64.369 1.00 23.67 -ATOM 1718 C ALA D 265 7.997 34.148 -63.058 1.00 19.70 -ATOM 1719 O ALA D 265 8.397 34.620 -62.002 1.00 14.75 -ATOM 1720 CB ALA D 265 9.996 33.456 -64.457 1.00 13.80 -ATOM 0 H ALA D 265 9.731 36.133 -63.829 1.00 11.89 H new -ATOM 0 HA ALA D 265 8.091 34.092 -65.194 1.00 23.67 H new -ATOM 0 1HB ALA D 265 9.689 32.408 -64.323 1.00 13.80 H new -ATOM 0 2HB ALA D 265 10.471 33.575 -65.442 1.00 13.80 H new -ATOM 0 3HB ALA D 265 10.713 33.731 -63.669 1.00 13.80 H new -ATOM 1721 N TRP D 266 6.883 33.435 -63.156 1.00 17.34 -ATOM 1722 CA TRP D 266 6.005 33.208 -62.027 1.00 14.42 -ATOM 1723 C TRP D 266 5.648 31.744 -61.901 1.00 18.71 -ATOM 1724 O TRP D 266 5.641 31.001 -62.883 1.00 14.71 -ATOM 1725 CB TRP D 266 4.686 33.951 -62.224 1.00 18.50 -ATOM 1726 CG TRP D 266 4.785 35.301 -62.870 1.00 17.09 -ATOM 1727 CD1 TRP D 266 4.883 35.569 -64.214 1.00 14.91 -ATOM 1728 CD2 TRP D 266 4.750 36.566 -62.211 1.00 14.55 -ATOM 1729 NE1 TRP D 266 4.923 36.924 -64.426 1.00 11.56 -ATOM 1730 CE2 TRP D 266 4.844 37.564 -63.215 1.00 16.70 -ATOM 1731 CE3 TRP D 266 4.651 36.962 -60.873 1.00 17.79 -ATOM 1732 CZ2 TRP D 266 4.841 38.929 -62.916 1.00 8.79 -ATOM 1733 CZ3 TRP D 266 4.660 38.321 -60.579 1.00 12.70 -ATOM 1734 CH2 TRP D 266 4.758 39.284 -61.595 1.00 8.84 -ATOM 0 H TRP D 266 6.573 33.008 -64.006 1.00 17.34 H new -ATOM 0 HA TRP D 266 6.540 33.560 -61.133 1.00 14.42 H new -ATOM 0 1HB TRP D 266 4.021 33.322 -62.834 1.00 18.50 H new -ATOM 0 2HB TRP D 266 4.205 34.070 -61.242 1.00 18.50 H new -ATOM 0 HD1 TRP D 266 4.924 34.807 -65.006 1.00 14.91 H new -ATOM 0 HE1 TRP D 266 4.998 37.372 -65.317 1.00 11.56 H new -ATOM 0 HE3 TRP D 266 4.568 36.214 -60.071 1.00 17.79 H new -ATOM 0 HZ2 TRP D 266 4.903 39.688 -63.709 1.00 8.79 H new -ATOM 0 HZ3 TRP D 266 4.589 38.647 -59.531 1.00 12.70 H new -ATOM 0 HH2 TRP D 266 4.768 40.350 -61.324 1.00 8.84 H new -ATOM 1735 N ASP D 267 5.339 31.340 -60.677 1.00 22.52 -ATOM 1736 CA ASP D 267 4.514 30.171 -60.443 1.00 15.58 -ATOM 1737 C ASP D 267 3.106 30.730 -60.247 1.00 18.46 -ATOM 1738 O ASP D 267 2.859 31.472 -59.309 1.00 16.02 -ATOM 1739 CB ASP D 267 4.984 29.454 -59.183 1.00 22.19 -ATOM 1740 CG ASP D 267 4.140 28.231 -58.856 1.00 33.44 -ATOM 1741 OD1 ASP D 267 2.897 28.354 -58.863 1.00 30.40 -ATOM 1742 OD2 ASP D 267 4.719 27.151 -58.589 1.00 31.95 -ATOM 0 H ASP D 267 5.645 31.801 -59.844 1.00 22.52 H new -ATOM 0 HA ASP D 267 4.560 29.443 -61.266 1.00 15.58 H new -ATOM 0 1HB ASP D 267 6.033 29.148 -59.310 1.00 22.19 H new -ATOM 0 2HB ASP D 267 4.953 30.153 -58.335 1.00 22.19 H new -ATOM 1743 N TRP D 268 2.178 30.418 -61.135 1.00 15.03 -ATOM 1744 CA TRP D 268 0.884 31.081 -61.039 1.00 18.59 -ATOM 1745 C TRP D 268 -0.093 30.470 -60.024 1.00 25.51 -ATOM 1746 O TRP D 268 -1.071 31.111 -59.623 1.00 20.83 -ATOM 1747 CB TRP D 268 0.235 31.257 -62.412 1.00 16.57 -ATOM 1748 CG TRP D 268 -0.187 30.007 -63.087 1.00 19.76 -ATOM 1749 CD1 TRP D 268 0.516 29.294 -64.017 1.00 22.76 -ATOM 1750 CD2 TRP D 268 -1.433 29.332 -62.921 1.00 23.68 -ATOM 1751 NE1 TRP D 268 -0.217 28.207 -64.432 1.00 25.28 -ATOM 1752 CE2 TRP D 268 -1.417 28.209 -63.770 1.00 32.57 -ATOM 1753 CE3 TRP D 268 -2.558 29.561 -62.126 1.00 20.57 -ATOM 1754 CZ2 TRP D 268 -2.483 27.321 -63.846 1.00 28.16 -ATOM 1755 CZ3 TRP D 268 -3.612 28.687 -62.208 1.00 19.31 -ATOM 1756 CH2 TRP D 268 -3.567 27.576 -63.055 1.00 26.80 -ATOM 0 H TRP D 268 2.280 29.759 -61.880 1.00 15.03 H new -ATOM 0 HA TRP D 268 1.117 32.075 -60.631 1.00 18.59 H new -ATOM 0 1HB TRP D 268 -0.645 31.907 -62.300 1.00 16.57 H new -ATOM 0 2HB TRP D 268 0.944 31.785 -63.067 1.00 16.57 H new -ATOM 0 HD1 TRP D 268 1.522 29.552 -64.381 1.00 22.76 H new -ATOM 0 HE1 TRP D 268 0.077 27.528 -65.105 1.00 25.28 H new -ATOM 0 HE3 TRP D 268 -2.598 30.426 -61.447 1.00 20.57 H new -ATOM 0 HZ2 TRP D 268 -2.455 26.449 -64.516 1.00 28.16 H new -ATOM 0 HZ3 TRP D 268 -4.509 28.864 -61.596 1.00 19.31 H new -ATOM 0 HH2 TRP D 268 -4.426 26.890 -63.085 1.00 26.80 H new -ATOM 1757 N LYS D 269 0.169 29.241 -59.602 1.00 15.76 -ATOM 1758 CA LYS D 269 -0.584 28.674 -58.494 1.00 20.87 -ATOM 1759 C LYS D 269 -0.157 29.386 -57.220 1.00 22.90 -ATOM 1760 O LYS D 269 -0.976 29.895 -56.467 1.00 28.80 -ATOM 1761 CB LYS D 269 -0.329 27.171 -58.375 1.00 28.64 -ATOM 1762 CG LYS D 269 -1.328 26.441 -57.493 1.00 35.64 -ATOM 1763 CD LYS D 269 -1.221 24.933 -57.662 1.00 51.34 -ATOM 1764 CE LYS D 269 -2.388 24.217 -56.997 1.00 63.20 -ATOM 1765 NZ LYS D 269 -2.403 22.757 -57.298 1.00 69.78 -ATOM 0 H LYS D 269 0.867 28.641 -59.992 1.00 15.76 H new -ATOM 0 HA LYS D 269 -1.662 28.813 -58.666 1.00 20.87 H new -ATOM 0 1HB LYS D 269 -0.350 26.726 -59.381 1.00 28.64 H new -ATOM 0 2HB LYS D 269 0.683 27.012 -57.974 1.00 28.64 H new -ATOM 0 1HG LYS D 269 -1.153 26.707 -56.440 1.00 35.64 H new -ATOM 0 2HG LYS D 269 -2.348 26.768 -57.743 1.00 35.64 H new -ATOM 0 1HD LYS D 269 -1.196 24.683 -58.733 1.00 51.34 H new -ATOM 0 2HD LYS D 269 -0.275 24.579 -57.227 1.00 51.34 H new -ATOM 0 1HE LYS D 269 -2.333 24.364 -55.908 1.00 63.20 H new -ATOM 0 2HE LYS D 269 -3.333 24.668 -57.335 1.00 63.20 H new -ATOM 0 1HZ LYS D 269 -3.284 22.369 -57.026 1.00 69.78 H + new -ATOM 0 2HZ LYS D 269 -2.266 22.617 -58.279 1.00 69.78 H + new -ATOM 0 3HZ LYS D 269 -1.670 22.304 -56.791 1.00 69.78 H + new -ATOM 1766 N THR D 270 1.148 29.435 -57.011 1.00 22.95 -ATOM 1767 CA THR D 270 1.740 30.135 -55.887 1.00 20.19 -ATOM 1768 C THR D 270 1.493 31.645 -55.942 1.00 25.37 -ATOM 1769 O THR D 270 1.302 32.292 -54.924 1.00 20.94 -ATOM 1770 CB THR D 270 3.257 29.907 -55.889 1.00 19.23 -ATOM 1771 OG1 THR D 270 3.547 28.662 -55.252 1.00 30.35 -ATOM 1772 CG2 THR D 270 3.941 30.982 -55.120 1.00 40.37 -ATOM 0 H THR D 270 1.817 28.995 -57.610 1.00 22.95 H new -ATOM 0 HA THR D 270 1.270 29.737 -54.976 1.00 20.19 H new -ATOM 0 HB THR D 270 3.610 29.908 -56.931 1.00 19.23 H new -ATOM 0 HG1 THR D 270 4.535 28.509 -55.253 1.00 30.35 H new -ATOM 0 1HG2 THR D 270 5.027 30.806 -55.130 1.00 40.37 H new -ATOM 0 2HG2 THR D 270 3.724 31.957 -55.580 1.00 40.37 H new -ATOM 0 3HG2 THR D 270 3.579 30.978 -54.081 1.00 40.37 H new -ATOM 1773 N GLY D 271 1.520 32.201 -57.148 1.00 20.62 -ATOM 1774 CA GLY D 271 1.495 33.633 -57.339 1.00 12.29 -ATOM 1775 C GLY D 271 2.848 34.275 -57.104 1.00 15.54 -ATOM 1776 O GLY D 271 3.004 35.493 -57.203 1.00 23.92 -ATOM 0 H GLY D 271 1.559 31.676 -57.998 1.00 20.62 H new -ATOM 0 1HA GLY D 271 1.160 33.857 -58.362 1.00 12.29 H new -ATOM 0 2HA GLY D 271 0.758 34.078 -56.654 1.00 12.29 H new -ATOM 1777 N LYS D 272 3.843 33.466 -56.779 1.00 14.40 -ATOM 1778 CA LYS D 272 5.172 34.003 -56.508 1.00 26.37 -ATOM 1779 C LYS D 272 5.948 34.301 -57.792 1.00 30.47 -ATOM 1780 O LYS D 272 5.919 33.520 -58.747 1.00 20.60 -ATOM 1781 CB LYS D 272 5.966 33.058 -55.602 1.00 26.69 -ATOM 1782 CG LYS D 272 7.361 33.536 -55.252 1.00 51.75 -ATOM 1783 CD LYS D 272 8.127 32.470 -54.486 1.00 65.43 -ATOM 1784 CE LYS D 272 9.461 33.000 -53.984 1.00 73.63 -ATOM 1785 NZ LYS D 272 10.288 33.546 -55.088 1.00 47.71 -ATOM 0 H LYS D 272 3.764 32.472 -56.698 1.00 14.40 H new -ATOM 0 HA LYS D 272 5.033 34.960 -55.983 1.00 26.37 H new -ATOM 0 1HB LYS D 272 5.401 32.906 -54.670 1.00 26.69 H new -ATOM 0 2HB LYS D 272 6.043 32.078 -56.096 1.00 26.69 H new -ATOM 0 1HG LYS D 272 7.906 33.794 -56.172 1.00 51.75 H new -ATOM 0 2HG LYS D 272 7.298 34.453 -54.648 1.00 51.75 H new -ATOM 0 1HD LYS D 272 7.524 32.123 -53.634 1.00 65.43 H new -ATOM 0 2HD LYS D 272 8.297 31.599 -55.136 1.00 65.43 H new -ATOM 0 1HE LYS D 272 9.285 33.786 -53.235 1.00 73.63 H new -ATOM 0 2HE LYS D 272 10.010 32.192 -53.479 1.00 73.63 H new -ATOM 0 1HZ LYS D 272 11.241 33.274 -54.957 1.00 47.71 H + new -ATOM 0 2HZ LYS D 272 9.957 33.189 -55.961 1.00 47.71 H + new -ATOM 0 3HZ LYS D 272 10.224 34.544 -55.091 1.00 47.71 H + new -ATOM 1786 N ASN D 273 6.621 35.448 -57.805 1.00 27.20 -ATOM 1787 CA ASN D 273 7.546 35.813 -58.878 1.00 21.75 -ATOM 1788 C ASN D 273 8.883 35.090 -58.714 1.00 22.91 -ATOM 1789 O ASN D 273 9.716 35.481 -57.901 1.00 28.97 -ATOM 1790 CB ASN D 273 7.749 37.335 -58.889 1.00 19.18 -ATOM 1791 CG ASN D 273 8.748 37.805 -59.946 1.00 24.49 -ATOM 1792 OD1 ASN D 273 9.017 37.129 -60.941 1.00 19.58 -ATOM 1793 ND2 ASN D 273 9.291 38.978 -59.730 1.00 16.56 -ATOM 0 H ASN D 273 6.543 36.139 -57.086 1.00 27.20 H new -ATOM 0 HA ASN D 273 7.114 35.503 -59.841 1.00 21.75 H new -ATOM 0 1HB ASN D 273 6.781 37.826 -59.066 1.00 19.18 H new -ATOM 0 2HB ASN D 273 8.097 37.659 -57.897 1.00 19.18 H new -ATOM 0 1HD2 ASN D 273 9.948 39.353 -60.384 1.00 16.56 H new -ATOM 0 2HD2 ASN D 273 9.048 39.498 -58.911 1.00 16.56 H new -ATOM 1794 N LEU D 274 9.082 34.033 -59.494 1.00 30.65 -ATOM 1795 CA LEU D 274 10.257 33.171 -59.358 1.00 25.93 -ATOM 1796 C LEU D 274 11.565 33.904 -59.641 1.00 28.02 -ATOM 1797 O LEU D 274 12.578 33.676 -58.977 1.00 31.55 -ATOM 1798 CB LEU D 274 10.133 31.956 -60.274 1.00 26.09 -ATOM 1799 CG LEU D 274 8.829 31.182 -60.118 1.00 27.15 -ATOM 1800 CD1 LEU D 274 8.679 30.144 -61.201 1.00 15.71 -ATOM 1801 CD2 LEU D 274 8.753 30.557 -58.747 1.00 22.64 -ATOM 0 H LEU D 274 8.453 33.754 -60.220 1.00 30.65 H new -ATOM 0 HA LEU D 274 10.289 32.844 -58.308 1.00 25.93 H new -ATOM 0 1HB LEU D 274 10.225 32.288 -61.319 1.00 26.09 H new -ATOM 0 2HB LEU D 274 10.975 31.276 -60.077 1.00 26.09 H new -ATOM 0 HG LEU D 274 7.992 31.888 -60.222 1.00 27.15 H new -ATOM 0 1HD1 LEU D 274 7.731 29.603 -61.062 1.00 15.71 H new -ATOM 0 2HD1 LEU D 274 8.679 30.637 -62.184 1.00 15.71 H new -ATOM 0 3HD1 LEU D 274 9.517 29.434 -61.147 1.00 15.71 H new -ATOM 0 1HD2 LEU D 274 7.808 30.002 -58.648 1.00 22.64 H new -ATOM 0 2HD2 LEU D 274 9.599 29.867 -58.611 1.00 22.64 H new -ATOM 0 3HD2 LEU D 274 8.797 31.345 -57.981 1.00 22.64 H new -ATOM 1802 N SER D 275 11.540 34.784 -60.631 1.00 26.99 -ATOM 1803 CA SER D 275 12.735 35.520 -61.013 1.00 26.36 -ATOM 1804 C SER D 275 12.443 36.395 -62.201 1.00 21.02 -ATOM 1805 O SER D 275 11.398 36.285 -62.827 1.00 22.97 -ATOM 1806 CB SER D 275 13.855 34.566 -61.411 1.00 37.40 -ATOM 1807 OG SER D 275 13.720 34.195 -62.772 1.00 35.83 -ATOM 0 H SER D 275 10.726 35.000 -61.171 1.00 26.99 H new -ATOM 0 HA SER D 275 13.043 36.124 -60.147 1.00 26.36 H new -ATOM 0 1HB SER D 275 13.828 33.670 -60.774 1.00 37.40 H new -ATOM 0 2HB SER D 275 14.831 35.046 -61.249 1.00 37.40 H new -ATOM 0 HG SER D 275 13.433 33.239 -62.830 1.00 35.83 H new -ATOM 1808 N THR D 276 13.399 37.247 -62.531 1.00 28.70 -ATOM 1809 CA THR D 276 13.264 38.129 -63.672 1.00 29.13 -ATOM 1810 C THR D 276 14.558 38.120 -64.448 1.00 26.89 -ATOM 1811 O THR D 276 15.629 37.975 -63.866 1.00 27.59 -ATOM 1812 CB THR D 276 12.969 39.559 -63.232 1.00 34.29 -ATOM 1813 OG1 THR D 276 14.040 40.029 -62.405 1.00 44.06 -ATOM 1814 CG2 THR D 276 11.677 39.602 -62.453 1.00 25.54 -ATOM 0 H THR D 276 14.260 37.343 -62.032 1.00 28.70 H new -ATOM 0 HA THR D 276 12.428 37.773 -64.292 1.00 29.13 H new -ATOM 0 HB THR D 276 12.875 40.201 -64.121 1.00 34.29 H new -ATOM 0 HG1 THR D 276 13.851 40.967 -62.116 1.00 44.06 H new -ATOM 0 1HG2 THR D 276 11.472 40.636 -62.139 1.00 25.54 H new -ATOM 0 2HG2 THR D 276 10.854 39.241 -63.087 1.00 25.54 H new -ATOM 0 3HG2 THR D 276 11.763 38.960 -61.564 1.00 25.54 H new -ATOM 1815 N PHE D 277 14.444 38.261 -65.764 1.00 23.55 -ATOM 1816 CA PHE D 277 15.597 38.289 -66.663 1.00 20.44 -ATOM 1817 C PHE D 277 15.728 39.645 -67.344 1.00 19.25 -ATOM 1818 O PHE D 277 14.857 40.060 -68.108 1.00 14.32 -ATOM 1819 CB PHE D 277 15.483 37.204 -67.734 1.00 29.65 -ATOM 1820 CG PHE D 277 16.635 37.191 -68.694 1.00 20.80 -ATOM 1821 CD1 PHE D 277 17.760 36.436 -68.427 1.00 24.14 -ATOM 1822 CD2 PHE D 277 16.600 37.945 -69.850 1.00 23.69 -ATOM 1823 CE1 PHE D 277 18.819 36.427 -69.290 1.00 23.03 -ATOM 1824 CE2 PHE D 277 17.665 37.945 -70.721 1.00 23.89 -ATOM 1825 CZ PHE D 277 18.772 37.184 -70.442 1.00 18.05 -ATOM 0 H PHE D 277 13.565 38.358 -66.232 1.00 23.55 H new -ATOM 0 HA PHE D 277 16.491 38.103 -66.050 1.00 20.44 H new -ATOM 0 1HB PHE D 277 15.413 36.222 -67.244 1.00 29.65 H new -ATOM 0 2HB PHE D 277 14.549 37.351 -68.296 1.00 29.65 H new -ATOM 0 HD1 PHE D 277 17.804 35.834 -67.507 1.00 24.14 H new -ATOM 0 HD2 PHE D 277 15.711 38.552 -70.077 1.00 23.69 H new -ATOM 0 HE1 PHE D 277 19.707 35.817 -69.067 1.00 23.03 H new -ATOM 0 HE2 PHE D 277 17.629 38.553 -71.637 1.00 23.89 H new -ATOM 0 HZ PHE D 277 19.624 37.178 -71.138 1.00 18.05 H new -ATOM 1826 N ASP D 278 16.825 40.333 -67.067 1.00 20.07 -ATOM 1827 CA ASP D 278 17.036 41.664 -67.611 1.00 22.66 -ATOM 1828 C ASP D 278 17.666 41.569 -69.008 1.00 28.80 -ATOM 1829 O ASP D 278 18.735 40.979 -69.177 1.00 33.04 -ATOM 1830 CB ASP D 278 17.917 42.471 -66.662 1.00 25.02 -ATOM 1831 CG ASP D 278 17.844 43.964 -66.922 1.00 43.93 -ATOM 1832 OD1 ASP D 278 17.835 44.369 -68.106 1.00 37.03 -ATOM 1833 OD2 ASP D 278 17.803 44.735 -65.935 1.00 46.42 -ATOM 0 H ASP D 278 17.565 39.999 -66.483 1.00 20.07 H new -ATOM 0 HA ASP D 278 16.069 42.179 -67.710 1.00 22.66 H new -ATOM 0 1HB ASP D 278 17.613 42.268 -65.625 1.00 25.02 H new -ATOM 0 2HB ASP D 278 18.960 42.136 -66.763 1.00 25.02 H new -ATOM 1834 N TYR D 279 16.995 42.133 -70.009 1.00 22.85 -ATOM 1835 CA TYR D 279 17.461 42.016 -71.388 1.00 32.31 -ATOM 1836 C TYR D 279 17.932 43.365 -71.927 1.00 30.97 -ATOM 1837 O TYR D 279 18.133 43.529 -73.129 1.00 25.47 -ATOM 1838 CB TYR D 279 16.363 41.443 -72.293 1.00 16.37 -ATOM 1839 CG TYR D 279 15.162 42.356 -72.425 1.00 15.11 -ATOM 1840 CD1 TYR D 279 15.124 43.330 -73.392 1.00 13.61 -ATOM 1841 CD2 TYR D 279 14.059 42.229 -71.585 1.00 23.10 -ATOM 1842 CE1 TYR D 279 14.061 44.165 -73.517 1.00 21.81 -ATOM 1843 CE2 TYR D 279 12.971 43.054 -71.718 1.00 13.97 -ATOM 1844 CZ TYR D 279 12.985 44.036 -72.684 1.00 15.69 -ATOM 1845 OH TYR D 279 11.929 44.907 -72.851 1.00 14.79 -ATOM 0 H TYR D 279 16.153 42.660 -69.896 1.00 22.85 H new -ATOM 0 HA TYR D 279 18.315 41.323 -71.390 1.00 32.31 H new -ATOM 0 1HB TYR D 279 16.782 41.253 -73.292 1.00 16.37 H new -ATOM 0 2HB TYR D 279 16.035 40.473 -71.892 1.00 16.37 H new -ATOM 0 HD1 TYR D 279 15.975 43.436 -74.081 1.00 13.61 H new -ATOM 0 HD2 TYR D 279 14.060 41.455 -70.803 1.00 23.10 H new -ATOM 0 HE1 TYR D 279 14.066 44.947 -74.290 1.00 21.81 H new -ATOM 0 HE2 TYR D 279 12.097 42.933 -71.061 1.00 13.97 H new -ATOM 0 HH TYR D 279 11.534 45.128 -71.959 1.00 14.79 H new -ATOM 1846 N ASN D 280 18.101 44.334 -71.038 1.00 29.32 -ATOM 1847 CA ASN D 280 18.447 45.679 -71.476 1.00 37.06 -ATOM 1848 C ASN D 280 19.811 45.737 -72.160 1.00 38.57 -ATOM 1849 O ASN D 280 19.958 46.372 -73.202 1.00 27.64 -ATOM 1850 CB ASN D 280 18.360 46.688 -70.323 1.00 39.23 -ATOM 1851 CG ASN D 280 18.523 48.130 -70.794 1.00 42.01 -ATOM 1852 OD1 ASN D 280 19.585 48.520 -71.273 1.00 48.74 -ATOM 1853 ND2 ASN D 280 17.470 48.928 -70.653 1.00 31.76 -ATOM 0 H ASN D 280 18.008 44.221 -70.049 1.00 29.32 H new -ATOM 0 HA ASN D 280 17.699 45.964 -72.231 1.00 37.06 H new -ATOM 0 1HB ASN D 280 17.389 46.579 -69.817 1.00 39.23 H new -ATOM 0 2HB ASN D 280 19.138 46.458 -69.580 1.00 39.23 H new -ATOM 0 1HD2 ASN D 280 17.525 49.884 -70.942 1.00 31.76 H new -ATOM 0 2HD2 ASN D 280 16.623 48.573 -70.258 1.00 31.76 H new -ATOM 1854 N SER D 281 20.800 45.057 -71.590 1.00 44.91 -ATOM 1855 CA SER D 281 22.141 45.038 -72.172 1.00 29.92 -ATOM 1856 C SER D 281 22.242 44.120 -73.384 1.00 39.78 -ATOM 1857 O SER D 281 23.339 43.795 -73.818 1.00 54.25 -ATOM 1858 CB SER D 281 23.192 44.627 -71.137 1.00 26.30 -ATOM 1859 OG SER D 281 23.055 43.260 -70.775 1.00 59.74 -ATOM 0 H SER D 281 20.704 44.525 -70.749 1.00 44.91 H new -ATOM 0 HA SER D 281 22.338 46.067 -72.506 1.00 29.92 H new -ATOM 0 1HB SER D 281 23.094 45.258 -70.241 1.00 26.30 H new -ATOM 0 2HB SER D 281 24.199 44.802 -71.544 1.00 26.30 H new -ATOM 0 HG SER D 281 23.754 43.021 -70.101 1.00 59.74 H new -ATOM 1860 N LEU D 282 21.108 43.693 -73.926 1.00 36.29 -ATOM 1861 CA LEU D 282 21.119 42.921 -75.158 1.00 26.16 -ATOM 1862 C LEU D 282 20.500 43.710 -76.303 1.00 30.44 -ATOM 1863 O LEU D 282 21.095 43.781 -77.371 1.00 43.34 -ATOM 1864 CB LEU D 282 20.431 41.559 -75.002 1.00 24.53 -ATOM 1865 CG LEU D 282 20.977 40.585 -73.960 1.00 31.19 -ATOM 1866 CD1 LEU D 282 20.031 39.404 -73.781 1.00 25.43 -ATOM 1867 CD2 LEU D 282 22.369 40.114 -74.331 1.00 33.53 -ATOM 0 H LEU D 282 20.199 43.863 -73.544 1.00 36.29 H new -ATOM 0 HA LEU D 282 22.174 42.724 -75.399 1.00 26.16 H new -ATOM 0 1HB LEU D 282 19.372 41.743 -74.766 1.00 24.53 H new -ATOM 0 2HB LEU D 282 20.460 41.055 -75.979 1.00 24.53 H new -ATOM 0 HG LEU D 282 21.048 41.117 -73.000 1.00 31.19 H new -ATOM 0 1HD1 LEU D 282 20.442 38.715 -73.028 1.00 25.43 H new -ATOM 0 2HD1 LEU D 282 19.048 39.768 -73.447 1.00 25.43 H new -ATOM 0 3HD1 LEU D 282 19.919 38.875 -74.739 1.00 25.43 H new -ATOM 0 1HD2 LEU D 282 22.737 39.415 -73.565 1.00 33.53 H new -ATOM 0 2HD2 LEU D 282 22.337 39.605 -75.306 1.00 33.53 H new -ATOM 0 3HD2 LEU D 282 23.045 40.979 -74.392 1.00 33.53 H new -ATOM 1868 N ILE D 283 19.320 44.306 -76.115 1.00 17.30 -ATOM 1869 CA ILE D 283 18.723 45.008 -77.251 1.00 32.78 -ATOM 1870 C ILE D 283 19.270 46.406 -77.454 1.00 22.34 -ATOM 1871 O ILE D 283 18.969 47.024 -78.463 1.00 24.22 -ATOM 1872 CB ILE D 283 17.164 45.093 -77.258 1.00 21.22 -ATOM 1873 CG1 ILE D 283 16.623 45.166 -75.847 1.00 25.35 -ATOM 1874 CG2 ILE D 283 16.549 43.988 -78.140 1.00 14.71 -ATOM 1875 CD1 ILE D 283 16.896 46.471 -75.191 1.00 24.10 -ATOM 0 H ILE D 283 18.798 44.319 -75.262 1.00 17.30 H new -ATOM 0 HA ILE D 283 19.023 44.357 -78.086 1.00 32.78 H new -ATOM 0 HB ILE D 283 16.849 46.034 -77.733 1.00 21.22 H new -ATOM 0 1HG1 ILE D 283 15.537 44.991 -75.866 1.00 25.35 H new -ATOM 0 2HG1 ILE D 283 17.068 44.359 -75.247 1.00 25.35 H new -ATOM 0 1HG2 ILE D 283 15.452 44.074 -78.125 1.00 14.71 H new -ATOM 0 2HG2 ILE D 283 16.911 44.099 -79.173 1.00 14.71 H new -ATOM 0 3HG2 ILE D 283 16.844 43.002 -77.752 1.00 14.71 H new -ATOM 0 1HD1 ILE D 283 16.481 46.464 -74.172 1.00 24.10 H new -ATOM 0 2HD1 ILE D 283 17.982 46.637 -75.142 1.00 24.10 H new -ATOM 0 3HD1 ILE D 283 16.427 47.279 -75.772 1.00 24.10 H new -ATOM 1876 N LYS D 284 20.054 46.907 -76.506 1.00 20.35 -ATOM 1877 CA LYS D 284 20.572 48.270 -76.615 1.00 36.45 -ATOM 1878 C LYS D 284 21.155 48.582 -78.009 1.00 36.40 -ATOM 1879 O LYS D 284 20.723 49.542 -78.653 1.00 24.85 -ATOM 1880 CB LYS D 284 21.587 48.575 -75.511 1.00 35.62 -ATOM 1881 CG LYS D 284 21.862 50.059 -75.344 1.00 42.96 -ATOM 1882 CD LYS D 284 22.999 50.322 -74.374 1.00 43.54 -ATOM 1883 CE LYS D 284 23.401 51.793 -74.386 1.00 76.71 -ATOM 1884 NZ LYS D 284 24.558 52.071 -73.490 1.00 80.53 -ATOM 0 H LYS D 284 20.336 46.413 -75.684 1.00 20.35 H new -ATOM 0 HA LYS D 284 19.708 48.937 -76.480 1.00 36.45 H new -ATOM 0 1HB LYS D 284 21.216 48.168 -74.559 1.00 35.62 H new -ATOM 0 2HB LYS D 284 22.531 48.057 -75.736 1.00 35.62 H new -ATOM 0 1HG LYS D 284 22.107 50.498 -76.322 1.00 42.96 H new -ATOM 0 2HG LYS D 284 20.952 50.561 -74.985 1.00 42.96 H new -ATOM 0 1HD LYS D 284 22.694 50.030 -73.358 1.00 43.54 H new -ATOM 0 2HD LYS D 284 23.865 49.699 -74.641 1.00 43.54 H new -ATOM 0 1HE LYS D 284 23.656 52.093 -75.413 1.00 76.71 H new -ATOM 0 2HE LYS D 284 22.543 52.408 -74.075 1.00 76.71 H new -ATOM 0 1HZ LYS D 284 24.785 53.044 -73.530 1.00 80.53 H + new -ATOM 0 2HZ LYS D 284 24.320 51.823 -72.551 1.00 80.53 H + new -ATOM 0 3HZ LYS D 284 25.347 51.533 -73.787 1.00 80.53 H + new -ATOM 1885 N PRO D 285 22.106 47.755 -78.486 1.00 22.06 -ATOM 1886 CA PRO D 285 22.715 47.933 -79.813 1.00 27.44 -ATOM 1887 C PRO D 285 21.689 47.890 -80.932 1.00 28.20 -ATOM 1888 O PRO D 285 21.944 48.435 -82.001 1.00 27.97 -ATOM 1889 CB PRO D 285 23.639 46.719 -79.952 1.00 33.10 -ATOM 1890 CG PRO D 285 23.834 46.201 -78.567 1.00 37.05 -ATOM 1891 CD PRO D 285 22.606 46.549 -77.805 1.00 29.09 -ATOM 0 HA PRO D 285 23.219 48.908 -79.890 1.00 27.44 H new -ATOM 0 1HB PRO D 285 23.190 45.953 -80.601 1.00 33.10 H new -ATOM 0 2HB PRO D 285 24.599 47.003 -80.407 1.00 33.10 H new -ATOM 0 1HG PRO D 285 23.993 45.113 -78.576 1.00 37.05 H new -ATOM 0 2HG PRO D 285 24.723 46.652 -78.103 1.00 37.05 H new -ATOM 0 1HD PRO D 285 21.868 45.734 -77.832 1.00 29.09 H new -ATOM 0 2HD PRO D 285 22.829 46.745 -76.746 1.00 29.09 H new -ATOM 1892 N TYR D 286 20.552 47.243 -80.686 1.00 32.20 -ATOM 1893 CA TYR D 286 19.531 47.039 -81.709 1.00 16.50 -ATOM 1894 C TYR D 286 18.541 48.176 -81.768 1.00 20.11 -ATOM 1895 O TYR D 286 17.797 48.300 -82.738 1.00 18.98 -ATOM 1896 CB TYR D 286 18.801 45.708 -81.507 1.00 26.21 -ATOM 1897 CG TYR D 286 19.683 44.505 -81.755 1.00 24.57 -ATOM 1898 CD1 TYR D 286 20.445 43.952 -80.725 1.00 19.31 -ATOM 1899 CD2 TYR D 286 19.759 43.924 -83.015 1.00 20.89 -ATOM 1900 CE1 TYR D 286 21.260 42.856 -80.948 1.00 29.38 -ATOM 1901 CE2 TYR D 286 20.583 42.822 -83.252 1.00 23.49 -ATOM 1902 CZ TYR D 286 21.330 42.300 -82.219 1.00 28.91 -ATOM 1903 OH TYR D 286 22.144 41.221 -82.455 1.00 32.86 -ATOM 0 H TYR D 286 20.319 46.855 -79.794 1.00 32.20 H new -ATOM 0 HA TYR D 286 20.058 47.010 -82.674 1.00 16.50 H new -ATOM 0 1HB TYR D 286 18.410 45.663 -80.480 1.00 26.21 H new -ATOM 0 2HB TYR D 286 17.934 45.666 -82.183 1.00 26.21 H new -ATOM 0 HD1 TYR D 286 20.397 44.395 -79.719 1.00 19.31 H new -ATOM 0 HD2 TYR D 286 19.160 44.339 -83.839 1.00 20.89 H new -ATOM 0 HE1 TYR D 286 21.849 42.428 -80.124 1.00 29.38 H new -ATOM 0 HE2 TYR D 286 20.635 42.374 -84.255 1.00 23.49 H new -ATOM 0 HH TYR D 286 21.806 40.716 -83.249 1.00 32.86 H new -ATOM 1904 N LEU D 287 18.539 49.009 -80.731 1.00 17.98 -ATOM 1905 CA LEU D 287 17.649 50.161 -80.681 1.00 26.99 -ATOM 1906 C LEU D 287 17.994 51.222 -81.744 1.00 38.09 -ATOM 1907 O LEU D 287 19.159 51.468 -82.059 1.00 36.75 -ATOM 1908 CB LEU D 287 17.635 50.773 -79.287 1.00 21.76 -ATOM 1909 CG LEU D 287 17.365 49.792 -78.141 1.00 35.12 -ATOM 1910 CD1 LEU D 287 17.439 50.505 -76.796 1.00 26.84 -ATOM 1911 CD2 LEU D 287 16.018 49.086 -78.326 1.00 18.96 -ATOM 0 H LEU D 287 19.132 48.909 -79.932 1.00 17.98 H new -ATOM 0 HA LEU D 287 16.639 49.794 -80.915 1.00 26.99 H new -ATOM 0 1HB LEU D 287 18.605 51.260 -79.109 1.00 21.76 H new -ATOM 0 2HB LEU D 287 16.869 51.562 -79.259 1.00 21.76 H new -ATOM 0 HG LEU D 287 18.147 49.019 -78.158 1.00 35.12 H new -ATOM 0 1HD1 LEU D 287 17.243 49.785 -75.988 1.00 26.84 H new -ATOM 0 2HD1 LEU D 287 18.441 50.939 -76.665 1.00 26.84 H new -ATOM 0 3HD1 LEU D 287 16.686 51.306 -76.763 1.00 26.84 H new -ATOM 0 1HD2 LEU D 287 15.851 48.390 -77.491 1.00 18.96 H new -ATOM 0 2HD2 LEU D 287 15.211 49.834 -78.346 1.00 18.96 H new -ATOM 0 3HD2 LEU D 287 16.023 48.527 -79.273 1.00 18.96 H new -ATOM 1912 N ASN D 288 16.958 51.834 -82.297 1.00 29.11 -ATOM 1913 CA ASN D 288 17.100 52.814 -83.351 1.00 32.59 -ATOM 1914 C ASN D 288 16.266 54.063 -83.031 1.00 30.75 -ATOM 1915 O ASN D 288 15.842 54.260 -81.901 1.00 28.40 -ATOM 1916 CB ASN D 288 16.707 52.194 -84.695 1.00 33.97 -ATOM 1917 CG ASN D 288 15.300 51.613 -84.680 1.00 40.30 -ATOM 1918 OD1 ASN D 288 14.357 52.270 -84.258 1.00 41.16 -ATOM 1919 ND2 ASN D 288 15.155 50.382 -85.149 1.00 40.47 -ATOM 0 H ASN D 288 16.010 51.664 -82.027 1.00 29.11 H new -ATOM 0 HA ASN D 288 18.152 53.129 -83.421 1.00 32.59 H new -ATOM 0 1HB ASN D 288 16.776 52.959 -85.482 1.00 33.97 H new -ATOM 0 2HB ASN D 288 17.425 51.401 -84.953 1.00 33.97 H new -ATOM 0 1HD2 ASN D 288 14.250 49.957 -85.167 1.00 40.47 H new -ATOM 0 2HD2 ASN D 288 15.951 49.878 -85.485 1.00 40.47 H new -ATOM 1920 N ASP D 289 16.043 54.921 -84.012 1.00 31.92 -ATOM 1921 CA ASP D 289 15.362 56.171 -83.721 1.00 57.98 -ATOM 1922 C ASP D 289 13.843 56.016 -83.796 1.00 60.26 -ATOM 1923 O ASP D 289 13.089 56.992 -83.777 1.00 50.45 -ATOM 1924 CB ASP D 289 15.906 57.345 -84.555 1.00 58.20 -ATOM 1925 CG ASP D 289 16.023 57.029 -86.024 1.00 63.24 -ATOM 1926 OD1 ASP D 289 16.207 55.845 -86.389 1.00 73.56 -ATOM 1927 OD2 ASP D 289 15.942 57.988 -86.819 1.00 44.29 -ATOM 0 H ASP D 289 16.308 54.786 -84.967 1.00 31.92 H new -ATOM 0 HA ASP D 289 15.588 56.434 -82.677 1.00 57.98 H new -ATOM 0 1HB ASP D 289 15.245 58.215 -84.426 1.00 58.20 H new -ATOM 0 2HB ASP D 289 16.895 57.632 -84.169 1.00 58.20 H new -ATOM 1928 N GLN D 290 13.400 54.765 -83.846 1.00 50.58 -ATOM 1929 CA GLN D 290 11.985 54.464 -83.702 1.00 50.44 -ATOM 1930 C GLN D 290 11.690 54.211 -82.223 1.00 44.20 -ATOM 1931 O GLN D 290 10.536 54.128 -81.806 1.00 22.81 -ATOM 1932 CB GLN D 290 11.593 53.265 -84.560 1.00 41.66 -ATOM 1933 CG GLN D 290 10.110 53.181 -84.840 1.00 55.09 -ATOM 1934 CD GLN D 290 9.770 52.119 -85.863 1.00 52.95 -ATOM 1935 OE1 GLN D 290 10.655 51.475 -86.427 1.00 61.64 -ATOM 1936 NE2 GLN D 290 8.483 51.932 -86.111 1.00 46.93 -ATOM 0 H GLN D 290 13.985 53.966 -83.982 1.00 50.58 H new -ATOM 0 HA GLN D 290 11.385 55.317 -84.052 1.00 50.44 H new -ATOM 0 1HB GLN D 290 12.136 53.315 -85.515 1.00 41.66 H new -ATOM 0 2HB GLN D 290 11.915 52.342 -84.055 1.00 41.66 H new -ATOM 0 1HG GLN D 290 9.575 52.967 -83.903 1.00 55.09 H new -ATOM 0 2HG GLN D 290 9.752 54.158 -85.198 1.00 55.09 H new -ATOM 0 1HE2 GLN D 290 8.197 51.245 -86.779 1.00 46.93 H new -ATOM 0 2HE2 GLN D 290 7.797 52.477 -85.630 1.00 46.93 H new -ATOM 1937 N HIS D 291 12.754 54.113 -81.433 1.00 34.44 -ATOM 1938 CA HIS D 291 12.639 53.962 -79.992 1.00 37.99 -ATOM 1939 C HIS D 291 12.780 55.315 -79.305 1.00 50.91 -ATOM 1940 O HIS D 291 12.878 55.396 -78.079 1.00 42.45 -ATOM 1941 CB HIS D 291 13.684 52.972 -79.478 1.00 26.10 -ATOM 1942 CG HIS D 291 13.628 51.639 -80.157 1.00 40.77 -ATOM 1943 ND1 HIS D 291 14.330 51.141 -81.201 1.00 39.83 flip -ATOM 1944 CD2 HIS D 291 12.744 50.649 -79.784 1.00 20.84 flip -ATOM 1945 CE1 HIS D 291 13.869 49.869 -81.429 1.00 24.04 flip -ATOM 1946 NE2 HIS D 291 12.915 49.594 -80.559 1.00 30.42 flip -ATOM 0 H HIS D 291 13.696 54.136 -81.768 1.00 34.44 H new -ATOM 0 HA HIS D 291 11.643 53.561 -79.754 1.00 37.99 H new -ATOM 0 1HB HIS D 291 14.686 53.404 -79.617 1.00 26.10 H new -ATOM 0 2HB HIS D 291 13.542 52.830 -78.396 1.00 26.10 H new -ATOM 0 HD2 HIS D 291 12.011 50.726 -78.968 1.00 20.84 H new -ATOM 0 HE1 HIS D 291 14.235 49.188 -82.211 1.00 24.04 H new -ATOM 0 HE2 HIS D 291 12.409 48.734 -80.498 1.00 30.42 H new -ATOM 1947 N LEU D 292 12.793 56.371 -80.115 1.00 52.88 -ATOM 1948 CA LEU D 292 12.765 57.742 -79.615 1.00 61.45 -ATOM 1949 C LEU D 292 11.366 58.126 -79.176 1.00 46.87 -ATOM 1950 O LEU D 292 10.439 58.172 -79.989 1.00 44.81 -ATOM 1951 CB LEU D 292 13.228 58.719 -80.696 1.00 52.05 -ATOM 1952 CG LEU D 292 14.730 58.903 -80.855 1.00 64.22 -ATOM 1953 CD1 LEU D 292 15.023 59.645 -82.140 1.00 74.48 -ATOM 1954 CD2 LEU D 292 15.302 59.646 -79.662 1.00 61.26 -ATOM 0 H LEU D 292 12.823 56.302 -81.112 1.00 52.88 H new -ATOM 0 HA LEU D 292 13.447 57.795 -78.753 1.00 61.45 H new -ATOM 0 1HB LEU D 292 12.820 58.382 -81.660 1.00 52.05 H new -ATOM 0 2HB LEU D 292 12.783 59.702 -80.484 1.00 52.05 H new -ATOM 0 HG LEU D 292 15.209 57.914 -80.902 1.00 64.22 H new -ATOM 0 1HD1 LEU D 292 16.110 59.775 -82.249 1.00 74.48 H new -ATOM 0 2HD1 LEU D 292 14.635 59.069 -82.993 1.00 74.48 H new -ATOM 0 3HD1 LEU D 292 14.537 60.632 -82.113 1.00 74.48 H new -ATOM 0 1HD2 LEU D 292 16.387 59.770 -79.793 1.00 61.26 H new -ATOM 0 2HD2 LEU D 292 14.827 60.635 -79.583 1.00 61.26 H new -ATOM 0 3HD2 LEU D 292 15.107 59.072 -78.744 1.00 61.26 H new -ATOM 1955 N ALA D 293 11.218 58.427 -77.892 1.00 40.05 -ATOM 1956 CA ALA D 293 9.899 58.775 -77.384 1.00 60.75 -ATOM 1957 C ALA D 293 9.598 60.222 -77.061 1.00 80.05 -ATOM 1958 O ALA D 293 10.193 60.870 -76.220 1.00 95.45 -ATOM 1959 CB ALA D 293 9.476 57.876 -76.261 1.00 60.93 -ATOM 0 H ALA D 293 11.955 58.437 -77.216 1.00 40.05 H new -ATOM 0 HA ALA D 293 9.280 58.603 -78.277 1.00 60.75 H new -ATOM 0 1HB ALA D 293 8.477 58.174 -75.909 1.00 60.93 H new -ATOM 0 2HB ALA D 293 9.444 56.835 -76.616 1.00 60.93 H new -ATOM 0 3HB ALA D 293 10.196 57.959 -75.433 1.00 60.93 H new -ATOM 1960 N PRO D 294 8.502 60.680 -77.700 1.00 71.62 -ATOM 1961 CA PRO D 294 7.838 61.972 -77.920 1.00 84.22 -ATOM 1962 C PRO D 294 8.085 62.987 -76.820 1.00 93.87 -ATOM 1963 O PRO D 294 8.425 62.584 -75.708 1.00 84.78 -ATOM 1964 CB PRO D 294 6.355 61.592 -77.936 1.00 89.32 -ATOM 1965 CG PRO D 294 6.329 60.230 -78.477 1.00 80.93 -ATOM 1966 CD PRO D 294 7.612 59.562 -78.070 1.00 67.05 -ATOM 0 HA PRO D 294 8.212 62.457 -78.834 1.00 84.22 H new -ATOM 0 1HB PRO D 294 5.921 61.630 -76.926 1.00 89.32 H new -ATOM 0 2HB PRO D 294 5.772 62.283 -78.563 1.00 89.32 H new -ATOM 0 1HG PRO D 294 5.463 59.675 -78.088 1.00 80.93 H new -ATOM 0 2HG PRO D 294 6.233 60.250 -79.573 1.00 80.93 H new -ATOM 0 1HD PRO D 294 7.457 58.875 -77.225 1.00 67.05 H new -ATOM 0 2HD PRO D 294 8.034 58.968 -78.894 1.00 67.05 H new -ATOM 1967 N PRO D 295 7.851 64.280 -77.113 1.00 91.87 -ATOM 1968 CA PRO D 295 8.203 65.367 -76.202 1.00 80.62 -ATOM 1969 C PRO D 295 8.866 64.824 -74.943 1.00 76.35 -ATOM 1970 O PRO D 295 8.558 65.212 -73.816 1.00 63.09 -ATOM 1971 CB PRO D 295 6.842 65.988 -75.916 1.00 85.84 -ATOM 1972 CG PRO D 295 6.102 65.829 -77.267 1.00 81.73 -ATOM 1973 CD PRO D 295 6.791 64.710 -78.040 1.00 77.23 -ATOM 0 HA PRO D 295 8.929 66.086 -76.608 1.00 80.62 H new -ATOM 0 1HB PRO D 295 6.319 65.467 -75.100 1.00 85.84 H new -ATOM 0 2HB PRO D 295 6.929 67.044 -75.620 1.00 85.84 H new -ATOM 0 1HG PRO D 295 5.042 65.588 -77.101 1.00 81.73 H new -ATOM 0 2HG PRO D 295 6.133 66.769 -77.838 1.00 81.73 H new -ATOM 0 1HD PRO D 295 6.097 63.890 -78.276 1.00 77.23 H new -ATOM 0 2HD PRO D 295 7.204 65.067 -78.995 1.00 77.23 H new -ATOM 1974 N ILE D 304 13.774 59.796 -76.173 1.00 87.52 -ATOM 1975 CA ILE D 304 14.417 59.210 -75.016 1.00 78.98 -ATOM 1976 C ILE D 304 14.048 57.738 -75.040 1.00 75.66 -ATOM 1977 O ILE D 304 12.954 57.393 -75.479 1.00 86.04 -ATOM 1978 CB ILE D 304 13.873 59.891 -73.741 1.00 96.86 -ATOM 1979 CG1 ILE D 304 14.081 61.414 -73.810 1.00103.31 -ATOM 1980 CG2 ILE D 304 14.508 59.310 -72.495 1.00 83.74 -ATOM 1981 CD1 ILE D 304 13.064 62.169 -74.668 1.00 96.87 -ATOM 0 HA ILE D 304 15.509 59.340 -75.027 1.00 78.98 H new -ATOM 0 HB ILE D 304 12.792 59.694 -73.684 1.00 96.86 H new -ATOM 0 1HG1 ILE D 304 14.048 61.820 -72.788 1.00103.31 H new -ATOM 0 2HG1 ILE D 304 15.089 61.613 -74.203 1.00103.31 H new -ATOM 0 1HG2 ILE D 304 14.101 59.814 -71.606 1.00 83.74 H new -ATOM 0 2HG2 ILE D 304 14.288 58.234 -72.438 1.00 83.74 H new -ATOM 0 3HG2 ILE D 304 15.597 59.459 -72.534 1.00 83.74 H new -ATOM 0 1HD1 ILE D 304 13.297 63.244 -74.653 1.00 96.87 H new -ATOM 0 2HD1 ILE D 304 13.110 61.799 -75.703 1.00 96.87 H new -ATOM 0 3HD1 ILE D 304 12.053 62.008 -74.266 1.00 96.87 H new -ATOM 1982 N ILE D 305 14.949 56.871 -74.586 1.00 77.88 -ATOM 1983 CA ILE D 305 14.832 55.426 -74.836 1.00 71.78 -ATOM 1984 C ILE D 305 13.556 54.743 -74.312 1.00 57.01 -ATOM 1985 O ILE D 305 13.377 54.580 -73.111 1.00 56.52 -ATOM 1986 CB ILE D 305 16.078 54.671 -74.317 1.00 75.92 -ATOM 1987 CG1 ILE D 305 17.300 55.025 -75.164 1.00 67.96 -ATOM 1988 CG2 ILE D 305 15.851 53.175 -74.334 1.00 49.41 -ATOM 1989 CD1 ILE D 305 18.565 54.306 -74.733 1.00 91.39 -ATOM 0 H ILE D 305 15.754 57.132 -74.053 1.00 77.88 H new -ATOM 0 HA ILE D 305 14.759 55.361 -75.932 1.00 71.78 H new -ATOM 0 HB ILE D 305 16.258 54.981 -73.277 1.00 75.92 H new -ATOM 0 1HG1 ILE D 305 17.090 54.781 -76.216 1.00 67.96 H new -ATOM 0 2HG1 ILE D 305 17.469 56.111 -75.113 1.00 67.96 H new -ATOM 0 1HG2 ILE D 305 16.750 52.663 -73.961 1.00 49.41 H new -ATOM 0 2HG2 ILE D 305 14.994 52.926 -73.690 1.00 49.41 H new -ATOM 0 3HG2 ILE D 305 15.643 52.847 -75.363 1.00 49.41 H new -ATOM 0 1HD1 ILE D 305 19.399 54.608 -75.384 1.00 91.39 H new -ATOM 0 2HD1 ILE D 305 18.800 54.569 -73.691 1.00 91.39 H new -ATOM 0 3HD1 ILE D 305 18.414 53.219 -74.811 1.00 91.39 H new -ATOM 1990 N GLU D 306 12.686 54.336 -75.234 1.00 55.67 -ATOM 1991 CA GLU D 306 11.476 53.579 -74.902 1.00 39.43 -ATOM 1992 C GLU D 306 11.300 52.349 -75.786 1.00 38.02 -ATOM 1993 O GLU D 306 11.071 52.469 -76.992 1.00 31.56 -ATOM 1994 CB GLU D 306 10.237 54.450 -75.059 1.00 37.12 -ATOM 1995 CG GLU D 306 9.805 55.151 -73.795 1.00 75.80 -ATOM 1996 CD GLU D 306 8.433 55.780 -73.930 1.00 80.16 -ATOM 1997 OE1 GLU D 306 7.807 55.621 -75.003 1.00 75.27 -ATOM 1998 OE2 GLU D 306 7.984 56.435 -72.965 1.00 93.13 -ATOM 0 H GLU D 306 12.795 54.516 -76.211 1.00 55.67 H new -ATOM 0 HA GLU D 306 11.595 53.255 -73.858 1.00 39.43 H new -ATOM 0 1HB GLU D 306 10.430 55.205 -75.835 1.00 37.12 H new -ATOM 0 2HB GLU D 306 9.407 53.824 -75.419 1.00 37.12 H new -ATOM 0 1HG GLU D 306 9.796 54.431 -72.963 1.00 75.80 H new -ATOM 0 2HG GLU D 306 10.540 55.929 -73.540 1.00 75.80 H new -ATOM 1999 N PHE D 307 11.374 51.168 -75.188 1.00 27.44 -ATOM 2000 CA PHE D 307 11.178 49.943 -75.948 1.00 30.47 -ATOM 2001 C PHE D 307 10.317 48.944 -75.183 1.00 22.88 -ATOM 2002 O PHE D 307 10.185 49.040 -73.970 1.00 30.73 -ATOM 2003 CB PHE D 307 12.522 49.333 -76.317 1.00 13.66 -ATOM 2004 CG PHE D 307 13.399 49.048 -75.139 1.00 22.94 -ATOM 2005 CD1 PHE D 307 13.321 47.838 -74.475 1.00 18.56 -ATOM 2006 CD2 PHE D 307 14.320 49.980 -74.702 1.00 25.33 -ATOM 2007 CE1 PHE D 307 14.144 47.572 -73.396 1.00 19.75 -ATOM 2008 CE2 PHE D 307 15.141 49.714 -73.623 1.00 16.90 -ATOM 2009 CZ PHE D 307 15.053 48.507 -72.971 1.00 13.16 -ATOM 0 H PHE D 307 11.561 51.036 -74.215 1.00 27.44 H new -ATOM 0 HA PHE D 307 10.641 50.197 -76.874 1.00 30.47 H new -ATOM 0 1HB PHE D 307 12.350 48.397 -76.869 1.00 13.66 H new -ATOM 0 2HB PHE D 307 13.050 50.017 -76.998 1.00 13.66 H new -ATOM 0 HD1 PHE D 307 12.597 47.079 -74.808 1.00 18.56 H new -ATOM 0 HD2 PHE D 307 14.401 50.947 -75.220 1.00 25.33 H new -ATOM 0 HE1 PHE D 307 14.069 46.606 -72.876 1.00 19.75 H new -ATOM 0 HE2 PHE D 307 15.866 50.469 -73.285 1.00 16.90 H new -ATOM 0 HZ PHE D 307 15.708 48.292 -72.114 1.00 13.16 H new -ATOM 2010 N ALA D 308 9.745 47.984 -75.903 1.00 19.69 -ATOM 2011 CA ALA D 308 8.802 47.025 -75.337 1.00 24.08 -ATOM 2012 C ALA D 308 8.885 45.647 -76.006 1.00 23.93 -ATOM 2013 O ALA D 308 8.958 45.552 -77.240 1.00 9.57 -ATOM 2014 CB ALA D 308 7.386 47.566 -75.449 1.00 15.44 -ATOM 0 H ALA D 308 9.919 47.851 -76.879 1.00 19.69 H new -ATOM 0 HA ALA D 308 9.074 46.890 -74.280 1.00 24.08 H new -ATOM 0 1HB ALA D 308 6.680 46.839 -75.021 1.00 15.44 H new -ATOM 0 2HB ALA D 308 7.311 48.516 -74.900 1.00 15.44 H new -ATOM 0 3HB ALA D 308 7.140 47.735 -76.508 1.00 15.44 H new -ATOM 2015 N VAL D 309 8.859 44.586 -75.193 1.00 14.50 -ATOM 2016 CA VAL D 309 8.698 43.241 -75.725 1.00 6.89 -ATOM 2017 C VAL D 309 7.328 43.148 -76.401 1.00 15.31 -ATOM 2018 O VAL D 309 6.330 43.638 -75.888 1.00 18.46 -ATOM 2019 CB VAL D 309 8.846 42.160 -74.648 1.00 11.67 -ATOM 2020 CG1 VAL D 309 8.520 40.782 -75.232 1.00 7.35 -ATOM 2021 CG2 VAL D 309 10.251 42.180 -74.062 1.00 9.58 -ATOM 0 H VAL D 309 8.945 44.636 -74.198 1.00 14.50 H new -ATOM 0 HA VAL D 309 9.500 43.056 -76.455 1.00 6.89 H new -ATOM 0 HB VAL D 309 8.134 42.371 -73.837 1.00 11.67 H new -ATOM 0 1HG1 VAL D 309 8.630 40.016 -74.450 1.00 7.35 H new -ATOM 0 2HG1 VAL D 309 7.486 40.777 -75.606 1.00 7.35 H new -ATOM 0 3HG1 VAL D 309 9.210 40.561 -76.060 1.00 7.35 H new -ATOM 0 1HG2 VAL D 309 10.339 41.399 -73.292 1.00 9.58 H new -ATOM 0 2HG2 VAL D 309 10.984 41.992 -74.860 1.00 9.58 H new -ATOM 0 3HG2 VAL D 309 10.446 43.164 -73.610 1.00 9.58 H new -ATOM 2022 N SER D 310 7.279 42.531 -77.569 1.00 20.02 -ATOM 2023 CA SER D 310 6.042 42.484 -78.325 1.00 13.58 -ATOM 2024 C SER D 310 5.336 41.144 -78.184 1.00 13.34 -ATOM 2025 O SER D 310 4.125 41.064 -78.319 1.00 14.65 -ATOM 2026 CB SER D 310 6.335 42.751 -79.796 1.00 16.41 -ATOM 2027 OG SER D 310 5.163 42.653 -80.576 1.00 15.72 -ATOM 0 H SER D 310 8.055 42.071 -78.000 1.00 20.02 H new -ATOM 0 HA SER D 310 5.374 43.258 -77.920 1.00 13.58 H new -ATOM 0 1HB SER D 310 7.083 42.031 -80.160 1.00 16.41 H new -ATOM 0 2HB SER D 310 6.772 43.754 -79.910 1.00 16.41 H new -ATOM 0 HG SER D 310 5.362 42.146 -81.414 1.00 15.72 H new -ATOM 2028 N LYS D 311 6.102 40.092 -77.925 1.00 14.49 -ATOM 2029 CA LYS D 311 5.577 38.737 -77.896 1.00 6.89 -ATOM 2030 C LYS D 311 6.628 37.866 -77.251 1.00 12.33 -ATOM 2031 O LYS D 311 7.826 38.040 -77.488 1.00 8.08 -ATOM 2032 CB LYS D 311 5.282 38.243 -79.311 1.00 13.69 -ATOM 2033 CG LYS D 311 4.718 36.838 -79.389 1.00 19.11 -ATOM 2034 CD LYS D 311 3.220 36.837 -79.139 1.00 14.81 -ATOM 2035 CE LYS D 311 2.713 35.408 -78.960 1.00 35.36 -ATOM 2036 NZ LYS D 311 1.233 35.301 -78.810 1.00 28.00 -ATOM 0 H LYS D 311 7.082 40.154 -77.734 1.00 14.49 H new -ATOM 0 HA LYS D 311 4.634 38.702 -77.330 1.00 6.89 H new -ATOM 0 1HB LYS D 311 4.571 38.935 -79.785 1.00 13.69 H new -ATOM 0 2HB LYS D 311 6.211 38.283 -79.899 1.00 13.69 H new -ATOM 0 1HG LYS D 311 4.928 36.409 -80.380 1.00 19.11 H new -ATOM 0 2HG LYS D 311 5.218 36.197 -78.648 1.00 19.11 H new -ATOM 0 1HD LYS D 311 2.991 37.430 -78.241 1.00 14.81 H new -ATOM 0 2HD LYS D 311 2.700 37.315 -79.982 1.00 14.81 H new -ATOM 0 1HE LYS D 311 3.027 34.808 -79.827 1.00 35.36 H new -ATOM 0 2HE LYS D 311 3.193 34.968 -78.073 1.00 35.36 H new -ATOM 0 1HZ LYS D 311 0.977 34.341 -78.698 1.00 28.00 H + new -ATOM 0 2HZ LYS D 311 0.941 35.819 -78.006 1.00 28.00 H + new -ATOM 0 3HZ LYS D 311 0.787 35.671 -79.625 1.00 28.00 H + new -ATOM 2037 N ILE D 312 6.181 36.954 -76.397 1.00 12.06 -ATOM 2038 CA ILE D 312 7.073 35.984 -75.786 1.00 11.43 -ATOM 2039 C ILE D 312 6.425 34.626 -75.982 1.00 15.32 -ATOM 2040 O ILE D 312 5.236 34.464 -75.772 1.00 18.77 -ATOM 2041 CB ILE D 312 7.370 36.287 -74.297 1.00 19.22 -ATOM 2042 CG1 ILE D 312 8.400 35.288 -73.763 1.00 20.58 -ATOM 2043 CG2 ILE D 312 6.074 36.305 -73.449 1.00 8.61 -ATOM 2044 CD1 ILE D 312 9.137 35.774 -72.538 1.00 22.85 -ATOM 0 H ILE D 312 5.224 36.870 -76.119 1.00 12.06 H new -ATOM 0 HA ILE D 312 8.062 36.021 -76.266 1.00 11.43 H new -ATOM 0 HB ILE D 312 7.799 37.297 -74.218 1.00 19.22 H new -ATOM 0 1HG1 ILE D 312 7.891 34.343 -73.523 1.00 20.58 H new -ATOM 0 2HG1 ILE D 312 9.130 35.068 -74.556 1.00 20.58 H new -ATOM 0 1HG2 ILE D 312 6.324 36.523 -72.400 1.00 8.61 H new -ATOM 0 2HG2 ILE D 312 5.395 37.081 -73.832 1.00 8.61 H new -ATOM 0 3HG2 ILE D 312 5.581 35.324 -73.512 1.00 8.61 H new -ATOM 0 1HD1 ILE D 312 9.856 35.007 -72.214 1.00 22.85 H new -ATOM 0 2HD1 ILE D 312 9.675 36.703 -72.778 1.00 22.85 H new -ATOM 0 3HD1 ILE D 312 8.417 35.966 -71.729 1.00 22.85 H new -ATOM 2045 N ILE D 313 7.199 33.661 -76.440 1.00 18.43 -ATOM 2046 CA ILE D 313 6.622 32.396 -76.845 1.00 20.69 -ATOM 2047 C ILE D 313 7.558 31.230 -76.513 1.00 23.49 -ATOM 2048 O ILE D 313 8.767 31.409 -76.370 1.00 25.34 -ATOM 2049 CB ILE D 313 6.187 32.416 -78.337 1.00 21.76 -ATOM 2050 CG1 ILE D 313 5.095 31.383 -78.583 1.00 20.63 -ATOM 2051 CG2 ILE D 313 7.381 32.208 -79.287 1.00 17.00 -ATOM 2052 CD1 ILE D 313 4.090 31.821 -79.624 1.00 44.82 -ATOM 0 H ILE D 313 8.192 33.725 -76.538 1.00 18.43 H new -ATOM 0 HA ILE D 313 5.703 32.238 -76.261 1.00 20.69 H new -ATOM 0 HB ILE D 313 5.778 33.414 -78.556 1.00 21.76 H new -ATOM 0 1HG1 ILE D 313 5.558 30.438 -78.903 1.00 20.63 H new -ATOM 0 2HG1 ILE D 313 4.570 31.180 -77.638 1.00 20.63 H new -ATOM 0 1HG2 ILE D 313 7.029 32.229 -80.329 1.00 17.00 H new -ATOM 0 2HG2 ILE D 313 8.117 33.011 -79.133 1.00 17.00 H new -ATOM 0 3HG2 ILE D 313 7.851 31.235 -79.079 1.00 17.00 H new -ATOM 0 1HD1 ILE D 313 3.331 31.035 -79.755 1.00 44.82 H new -ATOM 0 2HD1 ILE D 313 3.602 32.750 -79.295 1.00 44.82 H new -ATOM 0 3HD1 ILE D 313 4.605 31.996 -80.580 1.00 44.82 H new -ATOM 2053 N LYS D 314 6.984 30.043 -76.362 1.00 19.10 -ATOM 2054 CA LYS D 314 7.727 28.897 -75.858 1.00 18.12 -ATOM 2055 C LYS D 314 7.876 27.835 -76.925 1.00 17.86 -ATOM 2056 O LYS D 314 6.965 27.586 -77.707 1.00 13.49 -ATOM 2057 CB LYS D 314 7.005 28.301 -74.652 1.00 19.99 -ATOM 2058 CG LYS D 314 7.921 27.824 -73.540 1.00 37.00 -ATOM 2059 CD LYS D 314 7.980 26.301 -73.421 1.00 50.59 -ATOM 2060 CE LYS D 314 6.707 25.711 -72.828 1.00 47.17 -ATOM 2061 NZ LYS D 314 5.568 25.662 -73.790 1.00 42.13 -ATOM 0 H LYS D 314 6.026 29.853 -76.577 1.00 19.10 H new -ATOM 0 HA LYS D 314 8.728 29.242 -75.562 1.00 18.12 H new -ATOM 0 1HB LYS D 314 6.317 29.056 -74.244 1.00 19.99 H new -ATOM 0 2HB LYS D 314 6.390 27.454 -74.991 1.00 19.99 H new -ATOM 0 1HG LYS D 314 8.935 28.211 -73.718 1.00 37.00 H new -ATOM 0 2HG LYS D 314 7.578 28.247 -72.584 1.00 37.00 H new -ATOM 0 1HD LYS D 314 8.153 25.865 -74.416 1.00 50.59 H new -ATOM 0 2HD LYS D 314 8.838 26.019 -72.793 1.00 50.59 H new -ATOM 0 1HE LYS D 314 6.917 24.693 -72.469 1.00 47.17 H new -ATOM 0 2HE LYS D 314 6.411 26.306 -71.952 1.00 47.17 H new -ATOM 0 1HZ LYS D 314 4.933 24.939 -73.519 1.00 42.13 H + new -ATOM 0 2HZ LYS D 314 5.092 26.541 -73.788 1.00 42.13 H + new -ATOM 0 3HZ LYS D 314 5.915 25.473 -74.709 1.00 42.13 H + new -ATOM 2062 N SER D 315 9.050 27.231 -76.976 1.00 11.85 -ATOM 2063 CA SER D 315 9.215 25.989 -77.706 1.00 19.74 -ATOM 2064 C SER D 315 8.284 24.916 -77.087 1.00 27.86 -ATOM 2065 O SER D 315 7.974 24.962 -75.895 1.00 18.34 -ATOM 2066 CB SER D 315 10.678 25.572 -77.642 1.00 17.43 -ATOM 2067 OG SER D 315 10.830 24.224 -78.012 1.00 48.02 -ATOM 0 H SER D 315 9.880 27.571 -76.533 1.00 11.85 H new -ATOM 0 HA SER D 315 8.939 26.112 -78.764 1.00 19.74 H new -ATOM 0 1HB SER D 315 11.063 25.723 -76.623 1.00 17.43 H new -ATOM 0 2HB SER D 315 11.276 26.210 -78.310 1.00 17.43 H new -ATOM 0 HG SER D 315 11.550 24.146 -78.702 1.00 48.02 H new -ATOM 2068 N LYS D 316 7.814 23.968 -77.886 1.00 20.07 -ATOM 2069 CA LYS D 316 6.862 22.975 -77.379 1.00 25.10 -ATOM 2070 C LYS D 316 7.490 21.855 -76.535 1.00 26.66 -ATOM 2071 O LYS D 316 6.908 21.433 -75.547 1.00 22.72 -ATOM 2072 CB LYS D 316 6.044 22.375 -78.521 1.00 37.16 -ATOM 2073 CG LYS D 316 5.134 21.230 -78.121 1.00 28.10 -ATOM 2074 CD LYS D 316 4.949 20.301 -79.301 1.00 44.13 -ATOM 2075 CE LYS D 316 4.219 19.023 -78.923 1.00 45.03 -ATOM 2076 NZ LYS D 316 2.796 19.054 -79.356 1.00 69.81 -ATOM 0 H LYS D 316 8.061 23.863 -78.849 1.00 20.07 H new -ATOM 0 HA LYS D 316 6.206 23.533 -76.695 1.00 25.10 H new -ATOM 0 1HB LYS D 316 5.432 23.170 -78.971 1.00 37.16 H new -ATOM 0 2HB LYS D 316 6.735 22.020 -79.300 1.00 37.16 H new -ATOM 0 1HG LYS D 316 5.567 20.681 -77.272 1.00 28.10 H new -ATOM 0 2HG LYS D 316 4.160 21.619 -77.789 1.00 28.10 H new -ATOM 0 1HD LYS D 316 4.386 20.822 -80.090 1.00 44.13 H new -ATOM 0 2HD LYS D 316 5.933 20.047 -79.722 1.00 44.13 H new -ATOM 0 1HE LYS D 316 4.724 18.161 -79.384 1.00 45.03 H new -ATOM 0 2HE LYS D 316 4.268 18.880 -77.833 1.00 45.03 H new -ATOM 0 1HZ LYS D 316 2.348 18.200 -79.092 1.00 69.81 H + new -ATOM 0 2HZ LYS D 316 2.331 19.823 -78.918 1.00 69.81 H + new -ATOM 0 3HZ LYS D 316 2.752 19.160 -80.349 1.00 69.81 H + new -ATOM 2077 N ASN D 317 8.675 21.380 -76.909 1.00 20.53 -ATOM 2078 CA ASN D 317 9.303 20.297 -76.153 1.00 24.53 -ATOM 2079 C ASN D 317 10.639 20.670 -75.550 1.00 20.50 -ATOM 2080 O ASN D 317 10.988 20.204 -74.471 1.00 21.84 -ATOM 2081 CB ASN D 317 9.442 19.045 -77.014 1.00 15.20 -ATOM 2082 CG ASN D 317 8.126 18.605 -77.597 1.00 20.70 -ATOM 2083 OD1 ASN D 317 7.196 18.268 -76.876 1.00 23.54 -ATOM 2084 ND2 ASN D 317 8.043 18.596 -78.908 1.00 21.28 -ATOM 0 H ASN D 317 9.199 21.710 -77.694 1.00 20.53 H new -ATOM 0 HA ASN D 317 8.629 20.091 -75.309 1.00 24.53 H new -ATOM 0 1HB ASN D 317 10.155 19.240 -77.829 1.00 15.20 H new -ATOM 0 2HB ASN D 317 9.863 18.230 -76.407 1.00 15.20 H new -ATOM 0 1HD2 ASN D 317 7.196 18.306 -79.353 1.00 21.28 H new -ATOM 0 2HD2 ASN D 317 8.827 18.879 -79.461 1.00 21.28 H new -ATOM 2085 N LEU D 318 11.381 21.521 -76.246 1.00 22.77 -ATOM 2086 CA LEU D 318 12.681 21.972 -75.758 1.00 19.80 -ATOM 2087 C LEU D 318 12.488 23.081 -74.735 1.00 16.15 -ATOM 2088 O LEU D 318 11.479 23.779 -74.748 1.00 18.46 -ATOM 2089 CB LEU D 318 13.560 22.449 -76.920 1.00 20.77 -ATOM 2090 CG LEU D 318 13.681 21.439 -78.046 1.00 26.73 -ATOM 2091 CD1 LEU D 318 14.626 21.924 -79.127 1.00 32.30 -ATOM 2092 CD2 LEU D 318 14.155 20.114 -77.487 1.00 24.75 -ATOM 0 H LEU D 318 11.113 21.905 -77.130 1.00 22.77 H new -ATOM 0 HA LEU D 318 13.193 21.128 -75.274 1.00 19.80 H new -ATOM 0 1HB LEU D 318 13.145 23.385 -77.322 1.00 20.77 H new -ATOM 0 2HB LEU D 318 14.565 22.681 -76.537 1.00 20.77 H new -ATOM 0 HG LEU D 318 12.690 21.311 -78.506 1.00 26.73 H new -ATOM 0 1HD1 LEU D 318 14.690 21.169 -79.925 1.00 32.30 H new -ATOM 0 2HD1 LEU D 318 14.250 22.869 -79.546 1.00 32.30 H new -ATOM 0 3HD1 LEU D 318 15.625 22.086 -78.696 1.00 32.30 H new -ATOM 0 1HD2 LEU D 318 14.243 19.382 -78.303 1.00 24.75 H new -ATOM 0 2HD2 LEU D 318 15.136 20.248 -77.008 1.00 24.75 H new -ATOM 0 3HD2 LEU D 318 13.431 19.749 -76.744 1.00 24.75 H new -ATOM 2093 N PRO D 319 13.465 23.241 -73.843 1.00 15.75 -ATOM 2094 CA PRO D 319 13.426 24.215 -72.759 1.00 18.20 -ATOM 2095 C PRO D 319 13.810 25.616 -73.257 1.00 19.29 -ATOM 2096 O PRO D 319 14.664 26.283 -72.667 1.00 16.00 -ATOM 2097 CB PRO D 319 14.505 23.698 -71.794 1.00 10.34 -ATOM 2098 CG PRO D 319 15.224 22.636 -72.501 1.00 18.19 -ATOM 2099 CD PRO D 319 14.777 22.593 -73.919 1.00 18.14 -ATOM 0 HA PRO D 319 12.426 24.309 -72.310 1.00 18.20 H new -ATOM 0 1HB PRO D 319 15.190 24.508 -71.504 1.00 10.34 H new -ATOM 0 2HB PRO D 319 14.051 23.314 -70.869 1.00 10.34 H new -ATOM 0 1HG PRO D 319 16.308 22.817 -72.452 1.00 18.19 H new -ATOM 0 2HG PRO D 319 15.037 21.666 -72.017 1.00 18.19 H new -ATOM 0 1HD PRO D 319 15.466 23.134 -74.585 1.00 18.14 H new -ATOM 0 2HD PRO D 319 14.706 21.563 -74.298 1.00 18.14 H new -ATOM 2100 N PHE D 320 13.189 26.053 -74.341 1.00 16.46 -ATOM 2101 CA PHE D 320 13.523 27.355 -74.903 1.00 22.78 -ATOM 2102 C PHE D 320 12.341 28.324 -75.006 1.00 23.83 -ATOM 2103 O PHE D 320 11.198 27.944 -75.285 1.00 18.49 -ATOM 2104 CB PHE D 320 14.261 27.203 -76.244 1.00 12.27 -ATOM 2105 CG PHE D 320 15.551 26.443 -76.125 1.00 21.65 -ATOM 2106 CD1 PHE D 320 16.639 27.002 -75.473 1.00 21.30 -ATOM 2107 CD2 PHE D 320 15.671 25.154 -76.630 1.00 21.63 -ATOM 2108 CE1 PHE D 320 17.830 26.304 -75.344 1.00 19.90 -ATOM 2109 CE2 PHE D 320 16.864 24.454 -76.512 1.00 16.46 -ATOM 2110 CZ PHE D 320 17.942 25.029 -75.864 1.00 16.77 -ATOM 0 H PHE D 320 12.479 25.549 -74.832 1.00 16.46 H new -ATOM 0 HA PHE D 320 14.205 27.826 -74.179 1.00 22.78 H new -ATOM 0 1HB PHE D 320 13.604 26.688 -76.961 1.00 12.27 H new -ATOM 0 2HB PHE D 320 14.468 28.201 -76.657 1.00 12.27 H new -ATOM 0 HD1 PHE D 320 16.556 28.015 -75.052 1.00 21.30 H new -ATOM 0 HD2 PHE D 320 14.811 24.683 -77.129 1.00 21.63 H new -ATOM 0 HE1 PHE D 320 18.685 26.765 -74.828 1.00 19.90 H new -ATOM 0 HE2 PHE D 320 16.952 23.442 -76.934 1.00 16.46 H new -ATOM 0 HZ PHE D 320 18.886 24.473 -75.763 1.00 16.77 H new -ATOM 2111 N VAL D 321 12.654 29.588 -74.769 1.00 11.54 -ATOM 2112 CA VAL D 321 11.704 30.671 -74.899 1.00 16.36 -ATOM 2113 C VAL D 321 12.268 31.722 -75.836 1.00 14.59 -ATOM 2114 O VAL D 321 13.436 32.099 -75.737 1.00 13.87 -ATOM 2115 CB VAL D 321 11.449 31.313 -73.520 1.00 16.99 -ATOM 2116 CG1 VAL D 321 11.064 32.746 -73.669 1.00 26.66 -ATOM 2117 CG2 VAL D 321 10.370 30.538 -72.791 1.00 21.60 -ATOM 0 H VAL D 321 13.566 29.883 -74.484 1.00 11.54 H new -ATOM 0 HA VAL D 321 10.759 30.276 -75.300 1.00 16.36 H new -ATOM 0 HB VAL D 321 12.376 31.275 -72.929 1.00 16.99 H new -ATOM 0 1HG1 VAL D 321 10.887 33.184 -72.676 1.00 26.66 H new -ATOM 0 2HG1 VAL D 321 11.875 33.294 -74.171 1.00 26.66 H new -ATOM 0 3HG1 VAL D 321 10.146 32.819 -74.270 1.00 26.66 H new -ATOM 0 1HG2 VAL D 321 10.189 30.997 -71.808 1.00 21.60 H new -ATOM 0 2HG2 VAL D 321 9.442 30.558 -73.381 1.00 21.60 H new -ATOM 0 3HG2 VAL D 321 10.695 29.496 -72.655 1.00 21.60 H new -ATOM 2118 N ALA D 322 11.444 32.196 -76.754 1.00 9.91 -ATOM 2119 CA ALA D 322 11.870 33.266 -77.643 1.00 16.45 -ATOM 2120 C ALA D 322 10.981 34.503 -77.477 1.00 20.32 -ATOM 2121 O ALA D 322 9.802 34.393 -77.138 1.00 13.68 -ATOM 2122 CB ALA D 322 11.872 32.783 -79.096 1.00 10.73 -ATOM 0 H ALA D 322 10.510 31.871 -76.901 1.00 9.91 H new -ATOM 0 HA ALA D 322 12.897 33.553 -77.373 1.00 16.45 H new -ATOM 0 1HB ALA D 322 12.196 33.602 -79.755 1.00 10.73 H new -ATOM 0 2HB ALA D 322 12.564 31.934 -79.200 1.00 10.73 H new -ATOM 0 3HB ALA D 322 10.858 32.465 -79.379 1.00 10.73 H new -ATOM 2123 N PHE D 323 11.547 35.683 -77.704 1.00 10.69 -ATOM 2124 CA PHE D 323 10.739 36.894 -77.710 1.00 17.37 -ATOM 2125 C PHE D 323 11.374 37.929 -78.593 1.00 12.29 -ATOM 2126 O PHE D 323 12.540 37.826 -78.923 1.00 10.44 -ATOM 2127 CB PHE D 323 10.515 37.460 -76.287 1.00 11.08 -ATOM 2128 CG PHE D 323 11.766 37.969 -75.619 1.00 8.54 -ATOM 2129 CD1 PHE D 323 12.613 37.114 -74.962 1.00 9.39 -ATOM 2130 CD2 PHE D 323 12.085 39.306 -75.640 1.00 8.32 -ATOM 2131 CE1 PHE D 323 13.762 37.573 -74.348 1.00 6.89 -ATOM 2132 CE2 PHE D 323 13.234 39.764 -75.025 1.00 7.39 -ATOM 2133 CZ PHE D 323 14.065 38.894 -74.377 1.00 7.40 -ATOM 0 H PHE D 323 12.522 35.823 -77.879 1.00 10.69 H new -ATOM 0 HA PHE D 323 9.749 36.629 -78.109 1.00 17.37 H new -ATOM 0 1HB PHE D 323 9.783 38.279 -76.342 1.00 11.08 H new -ATOM 0 2HB PHE D 323 10.071 36.674 -75.658 1.00 11.08 H new -ATOM 0 HD1 PHE D 323 12.373 36.041 -74.923 1.00 9.39 H new -ATOM 0 HD2 PHE D 323 11.419 40.017 -76.151 1.00 8.32 H new -ATOM 0 HE1 PHE D 323 14.431 36.866 -73.835 1.00 6.89 H new -ATOM 0 HE2 PHE D 323 13.481 40.835 -75.057 1.00 7.39 H new -ATOM 0 HZ PHE D 323 14.975 39.264 -73.882 1.00 7.40 H new -ATOM 2134 N PHE D 324 10.603 38.939 -78.970 1.00 11.82 -ATOM 2135 CA PHE D 324 11.178 40.048 -79.686 1.00 13.96 -ATOM 2136 C PHE D 324 10.720 41.417 -79.170 1.00 23.17 -ATOM 2137 O PHE D 324 9.582 41.599 -78.719 1.00 9.81 -ATOM 2138 CB PHE D 324 10.995 39.900 -81.199 1.00 9.78 -ATOM 2139 CG PHE D 324 9.634 40.279 -81.705 1.00 9.14 -ATOM 2140 CD1 PHE D 324 9.406 41.539 -82.248 1.00 6.98 -ATOM 2141 CD2 PHE D 324 8.588 39.365 -81.680 1.00 9.45 -ATOM 2142 CE1 PHE D 324 8.143 41.891 -82.744 1.00 7.95 -ATOM 2143 CE2 PHE D 324 7.320 39.699 -82.181 1.00 7.61 -ATOM 2144 CZ PHE D 324 7.097 40.959 -82.716 1.00 9.36 -ATOM 0 H PHE D 324 9.620 39.005 -78.797 1.00 11.82 H new -ATOM 0 HA PHE D 324 12.258 40.013 -79.482 1.00 13.96 H new -ATOM 0 1HB PHE D 324 11.747 40.521 -81.708 1.00 9.78 H new -ATOM 0 2HB PHE D 324 11.198 38.856 -81.479 1.00 9.78 H new -ATOM 0 HD1 PHE D 324 10.228 42.269 -82.289 1.00 6.98 H new -ATOM 0 HD2 PHE D 324 8.756 38.362 -81.260 1.00 9.45 H new -ATOM 0 HE1 PHE D 324 7.973 42.897 -83.155 1.00 7.95 H new -ATOM 0 HE2 PHE D 324 6.504 38.962 -82.149 1.00 7.61 H new -ATOM 0 HZ PHE D 324 6.107 41.225 -83.115 1.00 9.36 H new -ATOM 2145 N VAL D 325 11.645 42.369 -79.225 1.00 20.94 -ATOM 2146 CA VAL D 325 11.364 43.741 -78.855 1.00 18.28 -ATOM 2147 C VAL D 325 10.869 44.434 -80.105 1.00 17.93 -ATOM 2148 O VAL D 325 11.442 44.235 -81.174 1.00 23.64 -ATOM 2149 CB VAL D 325 12.619 44.415 -78.323 1.00 16.09 -ATOM 2150 CG1 VAL D 325 12.359 45.872 -78.031 1.00 15.43 -ATOM 2151 CG2 VAL D 325 13.101 43.680 -77.073 1.00 9.23 -ATOM 0 H VAL D 325 12.587 42.210 -79.521 1.00 20.94 H new -ATOM 0 HA VAL D 325 10.609 43.791 -78.056 1.00 18.28 H new -ATOM 0 HB VAL D 325 13.408 44.367 -79.088 1.00 16.09 H new -ATOM 0 1HG1 VAL D 325 13.278 46.339 -77.648 1.00 15.43 H new -ATOM 0 2HG1 VAL D 325 12.046 46.381 -78.954 1.00 15.43 H new -ATOM 0 3HG1 VAL D 325 11.562 45.959 -77.277 1.00 15.43 H new -ATOM 0 1HG2 VAL D 325 14.009 44.167 -76.688 1.00 9.23 H new -ATOM 0 2HG2 VAL D 325 12.315 43.709 -76.304 1.00 9.23 H new -ATOM 0 3HG2 VAL D 325 13.326 42.634 -77.326 1.00 9.23 H new -ATOM 2152 N GLU D 326 9.786 45.206 -79.995 1.00 13.05 -ATOM 2153 CA GLU D 326 9.204 45.842 -81.179 1.00 23.60 -ATOM 2154 C GLU D 326 10.169 46.802 -81.914 1.00 17.42 -ATOM 2155 O GLU D 326 10.895 47.568 -81.290 1.00 14.51 -ATOM 2156 CB GLU D 326 7.884 46.528 -80.839 1.00 21.89 -ATOM 2157 CG GLU D 326 7.379 47.419 -81.945 1.00 24.75 -ATOM 2158 CD GLU D 326 5.918 47.772 -81.807 1.00 34.57 -ATOM 2159 OE1 GLU D 326 5.625 48.883 -81.326 1.00 41.09 -ATOM 2160 OE2 GLU D 326 5.061 46.944 -82.186 1.00 41.72 -ATOM 0 H GLU D 326 9.312 45.399 -79.136 1.00 13.05 H new -ATOM 0 HA GLU D 326 9.004 45.028 -81.891 1.00 23.60 H new -ATOM 0 1HB GLU D 326 7.126 45.762 -80.618 1.00 21.89 H new -ATOM 0 2HB GLU D 326 8.013 47.126 -79.925 1.00 21.89 H new -ATOM 0 1HG GLU D 326 7.973 48.345 -81.961 1.00 24.75 H new -ATOM 0 2HG GLU D 326 7.538 46.918 -82.911 1.00 24.75 H new -ATOM 2161 N ALA D 327 10.176 46.719 -83.242 1.00 23.14 -ATOM 2162 CA ALA D 327 11.073 47.503 -84.123 1.00 26.50 -ATOM 2163 C ALA D 327 12.573 47.292 -83.888 1.00 17.88 -ATOM 2164 O ALA D 327 13.345 48.247 -83.898 1.00 15.18 -ATOM 2165 CB ALA D 327 10.730 48.995 -84.090 1.00 18.38 -ATOM 0 H ALA D 327 9.564 46.110 -83.746 1.00 23.14 H new -ATOM 0 HA ALA D 327 10.878 47.101 -85.128 1.00 26.50 H new -ATOM 0 1HB ALA D 327 11.414 49.544 -84.754 1.00 18.38 H new -ATOM 0 2HB ALA D 327 9.694 49.141 -84.430 1.00 18.38 H new -ATOM 0 3HB ALA D 327 10.835 49.373 -83.062 1.00 18.38 H new -ATOM 2166 N THR D 328 12.964 46.043 -83.652 1.00 22.98 -ATOM 2167 CA THR D 328 14.360 45.631 -83.692 1.00 16.28 -ATOM 2168 C THR D 328 14.459 44.457 -84.658 1.00 19.42 -ATOM 2169 O THR D 328 13.445 43.881 -85.043 1.00 17.87 -ATOM 2170 CB THR D 328 14.910 45.223 -82.309 1.00 16.64 -ATOM 2171 OG1 THR D 328 14.216 44.065 -81.845 1.00 17.72 -ATOM 2172 CG2 THR D 328 14.745 46.355 -81.289 1.00 16.41 -ATOM 0 H THR D 328 12.330 45.302 -83.431 1.00 22.98 H new -ATOM 0 HA THR D 328 14.970 46.485 -84.021 1.00 16.28 H new -ATOM 0 HB THR D 328 15.983 45.006 -82.416 1.00 16.64 H new -ATOM 0 HG1 THR D 328 13.263 44.300 -81.656 1.00 17.72 H new -ATOM 0 1HG2 THR D 328 15.145 46.034 -80.316 1.00 16.41 H new -ATOM 0 2HG2 THR D 328 15.293 47.244 -81.635 1.00 16.41 H new -ATOM 0 3HG2 THR D 328 13.678 46.601 -81.183 1.00 16.41 H new -ATOM 2173 N LYS D 329 15.676 44.111 -85.064 1.00 23.58 -ATOM 2174 CA LYS D 329 15.864 43.105 -86.100 1.00 18.93 -ATOM 2175 C LYS D 329 16.403 41.808 -85.521 1.00 22.41 -ATOM 2176 O LYS D 329 17.227 41.125 -86.130 1.00 20.47 -ATOM 2177 CB LYS D 329 16.831 43.613 -87.176 1.00 29.37 -ATOM 2178 CG LYS D 329 16.496 44.968 -87.783 1.00 25.00 -ATOM 2179 CD LYS D 329 17.316 45.193 -89.041 1.00 25.61 -ATOM 2180 CE LYS D 329 17.860 46.611 -89.140 1.00 28.51 -ATOM 2181 NZ LYS D 329 16.832 47.608 -89.530 1.00 44.31 -ATOM 0 H LYS D 329 16.523 44.501 -84.702 1.00 23.58 H new -ATOM 0 HA LYS D 329 14.879 42.911 -86.550 1.00 18.93 H new -ATOM 0 1HB LYS D 329 17.839 43.668 -86.739 1.00 29.37 H new -ATOM 0 2HB LYS D 329 16.871 42.870 -87.986 1.00 29.37 H new -ATOM 0 1HG LYS D 329 15.423 45.017 -88.021 1.00 25.00 H new -ATOM 0 2HG LYS D 329 16.701 45.766 -87.054 1.00 25.00 H new -ATOM 0 1HD LYS D 329 18.154 44.481 -89.060 1.00 25.61 H new -ATOM 0 2HD LYS D 329 16.693 44.981 -89.923 1.00 25.61 H new -ATOM 0 1HE LYS D 329 18.291 46.899 -88.170 1.00 28.51 H new -ATOM 0 2HE LYS D 329 18.678 46.632 -89.875 1.00 28.51 H new -ATOM 0 1HZ LYS D 329 17.249 48.516 -89.578 1.00 44.31 H + new -ATOM 0 2HZ LYS D 329 16.456 47.367 -90.425 1.00 44.31 H + new -ATOM 0 3HZ LYS D 329 16.098 47.614 -88.851 1.00 44.31 H + new -ATOM 2182 N CYS D 330 15.957 41.464 -84.328 1.00 24.40 -ATOM 2183 CA CYS D 330 16.375 40.201 -83.763 1.00 22.04 -ATOM 2184 C CYS D 330 15.247 39.559 -82.977 1.00 19.78 -ATOM 2185 O CYS D 330 14.198 40.163 -82.798 1.00 14.47 -ATOM 2186 CB CYS D 330 17.628 40.381 -82.905 1.00 18.48 -ATOM 2187 SG CYS D 330 17.429 41.453 -81.464 1.00 20.86 -ATOM 0 H CYS D 330 15.340 42.010 -83.761 1.00 24.40 H new -ATOM 0 HA CYS D 330 16.631 39.520 -84.588 1.00 22.04 H new -ATOM 0 1HB CYS D 330 17.962 39.391 -82.561 1.00 18.48 H new -ATOM 0 2HB CYS D 330 18.430 40.790 -83.537 1.00 18.48 H new -ATOM 0 HG CYS D 330 18.179 42.506 -81.600 1.00 20.86 H new -ATOM 2188 N ILE D 331 15.464 38.308 -82.590 1.00 15.72 -ATOM 2189 CA ILE D 331 14.696 37.648 -81.564 1.00 12.79 -ATOM 2190 C ILE D 331 15.726 37.181 -80.563 1.00 13.76 -ATOM 2191 O ILE D 331 16.849 36.868 -80.929 1.00 13.78 -ATOM 2192 CB ILE D 331 13.903 36.458 -82.102 1.00 14.91 -ATOM 2193 CG1 ILE D 331 14.837 35.339 -82.542 1.00 17.01 -ATOM 2194 CG2 ILE D 331 13.018 36.878 -83.261 1.00 17.62 -ATOM 2195 CD1 ILE D 331 14.104 34.080 -82.911 1.00 15.97 -ATOM 0 H ILE D 331 16.180 37.732 -82.985 1.00 15.72 H new -ATOM 0 HA ILE D 331 13.946 38.327 -81.132 1.00 12.79 H new -ATOM 0 HB ILE D 331 13.264 36.085 -81.288 1.00 14.91 H new -ATOM 0 1HG1 ILE D 331 15.429 35.679 -83.404 1.00 17.01 H new -ATOM 0 2HG1 ILE D 331 15.547 35.120 -81.731 1.00 17.01 H new -ATOM 0 1HG2 ILE D 331 12.458 36.006 -83.630 1.00 17.62 H new -ATOM 0 2HG2 ILE D 331 12.311 37.650 -82.922 1.00 17.62 H new -ATOM 0 3HG2 ILE D 331 13.642 37.283 -84.071 1.00 17.62 H new -ATOM 0 1HD1 ILE D 331 14.827 33.311 -83.219 1.00 15.97 H new -ATOM 0 2HD1 ILE D 331 13.534 33.719 -82.042 1.00 15.97 H new -ATOM 0 3HD1 ILE D 331 13.414 34.287 -83.742 1.00 15.97 H new -ATOM 2196 N ILE D 332 15.364 37.179 -79.293 1.00 12.50 -ATOM 2197 CA ILE D 332 16.255 36.690 -78.256 1.00 15.93 -ATOM 2198 C ILE D 332 15.716 35.378 -77.718 1.00 14.26 -ATOM 2199 O ILE D 332 14.528 35.248 -77.475 1.00 18.25 -ATOM 2200 CB ILE D 332 16.396 37.708 -77.132 1.00 13.03 -ATOM 2201 CG1 ILE D 332 17.095 38.957 -77.660 1.00 11.63 -ATOM 2202 CG2 ILE D 332 17.136 37.114 -75.961 1.00 14.55 -ATOM 2203 CD1 ILE D 332 17.036 40.119 -76.707 1.00 19.07 -ATOM 0 H ILE D 332 14.478 37.504 -78.961 1.00 12.50 H new -ATOM 0 HA ILE D 332 17.254 36.530 -78.687 1.00 15.93 H new -ATOM 0 HB ILE D 332 15.396 37.993 -76.773 1.00 13.03 H new -ATOM 0 1HG1 ILE D 332 18.148 38.718 -77.871 1.00 11.63 H new -ATOM 0 2HG1 ILE D 332 16.634 39.251 -78.615 1.00 11.63 H new -ATOM 0 1HG2 ILE D 332 17.225 37.866 -75.163 1.00 14.55 H new -ATOM 0 2HG2 ILE D 332 16.583 36.242 -75.582 1.00 14.55 H new -ATOM 0 3HG2 ILE D 332 18.140 36.800 -76.282 1.00 14.55 H new -ATOM 0 1HD1 ILE D 332 17.556 40.982 -77.148 1.00 19.07 H new -ATOM 0 2HD1 ILE D 332 15.986 40.383 -76.515 1.00 19.07 H new -ATOM 0 3HD1 ILE D 332 17.523 39.842 -75.760 1.00 19.07 H new -ATOM 2204 N ILE D 333 16.600 34.406 -77.553 1.00 16.80 -ATOM 2205 CA ILE D 333 16.222 33.083 -77.084 1.00 17.86 -ATOM 2206 C ILE D 333 16.842 32.798 -75.729 1.00 18.64 -ATOM 2207 O ILE D 333 18.057 32.830 -75.582 1.00 24.11 -ATOM 2208 CB ILE D 333 16.637 31.994 -78.086 1.00 15.21 -ATOM 2209 CG1 ILE D 333 15.979 32.260 -79.440 1.00 18.98 -ATOM 2210 CG2 ILE D 333 16.261 30.617 -77.562 1.00 14.71 -ATOM 2211 CD1 ILE D 333 16.352 31.258 -80.535 1.00 16.72 -ATOM 0 H ILE D 333 17.578 34.510 -77.736 1.00 16.80 H new -ATOM 0 HA ILE D 333 15.126 33.067 -76.989 1.00 17.86 H new -ATOM 0 HB ILE D 333 17.729 32.021 -78.214 1.00 15.21 H new -ATOM 0 1HG1 ILE D 333 14.887 32.252 -79.310 1.00 18.98 H new -ATOM 0 2HG1 ILE D 333 16.256 33.270 -79.776 1.00 18.98 H new -ATOM 0 1HG2 ILE D 333 16.565 29.851 -78.291 1.00 14.71 H new -ATOM 0 2HG2 ILE D 333 16.773 30.436 -76.605 1.00 14.71 H new -ATOM 0 3HG2 ILE D 333 15.173 30.566 -77.410 1.00 14.71 H new -ATOM 0 1HD1 ILE D 333 15.836 31.525 -81.469 1.00 16.72 H new -ATOM 0 2HD1 ILE D 333 17.440 31.281 -80.698 1.00 16.72 H new -ATOM 0 3HD1 ILE D 333 16.049 30.247 -80.226 1.00 16.72 H new -ATOM 2212 N LEU D 334 15.996 32.537 -74.736 1.00 19.38 -ATOM 2213 CA LEU D 334 16.462 32.185 -73.402 1.00 18.34 -ATOM 2214 C LEU D 334 16.239 30.706 -73.146 1.00 21.06 -ATOM 2215 O LEU D 334 15.346 30.088 -73.725 1.00 14.39 -ATOM 2216 CB LEU D 334 15.695 32.967 -72.346 1.00 19.03 -ATOM 2217 CG LEU D 334 15.417 34.422 -72.660 1.00 22.47 -ATOM 2218 CD1 LEU D 334 14.505 35.009 -71.583 1.00 16.16 -ATOM 2219 CD2 LEU D 334 16.727 35.190 -72.768 1.00 22.75 -ATOM 0 H LEU D 334 15.001 32.563 -74.831 1.00 19.38 H new -ATOM 0 HA LEU D 334 17.534 32.427 -73.343 1.00 18.34 H new -ATOM 0 1HB LEU D 334 14.734 32.461 -72.172 1.00 19.03 H new -ATOM 0 2HB LEU D 334 16.259 32.919 -71.403 1.00 19.03 H new -ATOM 0 HG LEU D 334 14.902 34.505 -73.628 1.00 22.47 H new -ATOM 0 1HD1 LEU D 334 14.302 36.066 -71.810 1.00 16.16 H new -ATOM 0 2HD1 LEU D 334 13.557 34.451 -71.560 1.00 16.16 H new -ATOM 0 3HD1 LEU D 334 14.998 34.933 -70.603 1.00 16.16 H new -ATOM 0 1HD2 LEU D 334 16.516 36.245 -72.996 1.00 22.75 H new -ATOM 0 2HD2 LEU D 334 17.272 35.123 -71.815 1.00 22.75 H new -ATOM 0 3HD2 LEU D 334 17.341 34.757 -73.572 1.00 22.75 H new -ATOM 2220 N GLU D 335 17.044 30.144 -72.261 1.00 21.89 -ATOM 2221 CA GLU D 335 16.819 28.781 -71.812 1.00 30.14 -ATOM 2222 C GLU D 335 16.155 28.736 -70.431 1.00 29.37 -ATOM 2223 O GLU D 335 16.497 29.502 -69.533 1.00 27.32 -ATOM 2224 CB GLU D 335 18.123 28.000 -71.793 1.00 25.20 -ATOM 2225 CG GLU D 335 17.922 26.528 -71.503 1.00 34.89 -ATOM 2226 CD GLU D 335 19.100 25.691 -71.930 1.00 43.19 -ATOM 2227 OE1 GLU D 335 19.018 24.449 -71.820 1.00 36.24 -ATOM 2228 OE2 GLU D 335 20.105 26.279 -72.380 1.00 48.25 -ATOM 0 H GLU D 335 17.836 30.596 -71.851 1.00 21.89 H new -ATOM 0 HA GLU D 335 16.130 28.311 -72.530 1.00 30.14 H new -ATOM 0 1HB GLU D 335 18.626 28.112 -72.765 1.00 25.20 H new -ATOM 0 2HB GLU D 335 18.792 28.431 -71.033 1.00 25.20 H new -ATOM 0 1HG GLU D 335 17.749 26.390 -70.425 1.00 34.89 H new -ATOM 0 2HG GLU D 335 17.018 26.175 -72.021 1.00 34.89 H new -ATOM 2229 N MET D 336 15.199 27.832 -70.279 1.00 30.64 -ATOM 2230 CA MET D 336 14.512 27.656 -69.009 1.00 31.43 -ATOM 2231 C MET D 336 15.225 26.602 -68.190 1.00 23.72 -ATOM 2232 O MET D 336 15.421 25.489 -68.653 1.00 30.48 -ATOM 2233 CB MET D 336 13.053 27.280 -69.242 1.00 18.13 -ATOM 2234 CG MET D 336 12.310 28.376 -69.937 1.00 21.63 -ATOM 2235 SD MET D 336 10.614 27.970 -70.246 1.00 33.85 -ATOM 2236 CE MET D 336 10.777 26.704 -71.502 1.00 22.33 -ATOM 0 H MET D 336 14.887 27.220 -71.006 1.00 30.64 H new -ATOM 0 HA MET D 336 14.528 28.603 -68.450 1.00 31.43 H new -ATOM 0 1HB MET D 336 13.001 26.361 -69.844 1.00 18.13 H new -ATOM 0 2HB MET D 336 12.570 27.061 -68.278 1.00 18.13 H new -ATOM 0 1HG MET D 336 12.358 29.289 -69.326 1.00 21.63 H new -ATOM 0 2HG MET D 336 12.808 28.601 -70.892 1.00 21.63 H new -ATOM 0 1HE MET D 336 10.488 27.117 -72.480 1.00 22.33 H new -ATOM 0 2HE MET D 336 11.821 26.361 -71.544 1.00 22.33 H new -ATOM 0 3HE MET D 336 10.122 25.855 -71.255 1.00 22.33 H new -ATOM 2237 N SER D 337 15.624 26.971 -66.978 1.00 29.39 -ATOM 2238 CA SER D 337 16.412 26.103 -66.114 1.00 22.94 -ATOM 2239 C SER D 337 15.634 24.850 -65.751 1.00 30.15 -ATOM 2240 O SER D 337 14.482 24.923 -65.336 1.00 33.57 -ATOM 2241 CB SER D 337 16.839 26.856 -64.850 1.00 29.72 -ATOM 2242 OG SER D 337 17.476 26.005 -63.921 1.00 29.60 -ATOM 0 H SER D 337 15.414 27.862 -66.576 1.00 29.39 H new -ATOM 0 HA SER D 337 17.315 25.797 -66.663 1.00 22.94 H new -ATOM 0 1HB SER D 337 15.956 27.315 -64.381 1.00 29.72 H new -ATOM 0 2HB SER D 337 17.520 27.675 -65.124 1.00 29.72 H new -ATOM 0 HG SER D 337 17.741 26.531 -63.113 1.00 29.60 H new -ATOM 2243 N GLU D 338 16.265 23.699 -65.934 1.00 31.71 -ATOM 2244 CA GLU D 338 15.669 22.437 -65.534 1.00 43.04 -ATOM 2245 C GLU D 338 16.005 22.155 -64.073 1.00 35.44 -ATOM 2246 O GLU D 338 15.382 21.321 -63.438 1.00 33.70 -ATOM 2247 CB GLU D 338 16.169 21.300 -66.426 1.00 62.28 -ATOM 2248 CG GLU D 338 17.689 21.165 -66.467 1.00 89.86 -ATOM 2249 CD GLU D 338 18.164 20.053 -67.393 1.00103.31 -ATOM 2250 OE1 GLU D 338 17.489 19.786 -68.414 1.00103.31 -ATOM 2251 OE2 GLU D 338 19.221 19.449 -67.100 1.00103.31 -ATOM 0 H GLU D 338 17.171 23.617 -66.349 1.00 31.71 H new -ATOM 0 HA GLU D 338 14.577 22.504 -65.647 1.00 43.04 H new -ATOM 0 1HB GLU D 338 15.737 20.353 -66.072 1.00 62.28 H new -ATOM 0 2HB GLU D 338 15.798 21.460 -67.449 1.00 62.28 H new -ATOM 0 1HG GLU D 338 18.127 22.119 -66.794 1.00 89.86 H new -ATOM 0 2HG GLU D 338 18.062 20.972 -65.450 1.00 89.86 H new -ATOM 2252 N LYS D 339 16.989 22.874 -63.548 1.00 48.79 -ATOM 2253 CA LYS D 339 17.430 22.697 -62.171 1.00 54.20 -ATOM 2254 C LYS D 339 16.564 23.483 -61.188 1.00 54.02 -ATOM 2255 O LYS D 339 16.182 22.965 -60.136 1.00 51.77 -ATOM 2256 CB LYS D 339 18.894 23.127 -62.023 1.00 57.99 -ATOM 2257 CG LYS D 339 19.895 22.272 -62.797 1.00 56.29 -ATOM 2258 CD LYS D 339 20.128 20.920 -62.118 1.00 77.15 -ATOM 2259 CE LYS D 339 21.079 20.025 -62.925 1.00 95.60 -ATOM 2260 NZ LYS D 339 22.497 20.508 -62.948 1.00 67.41 -ATOM 0 H LYS D 339 17.491 23.578 -64.051 1.00 48.79 H new -ATOM 0 HA LYS D 339 17.330 21.628 -61.932 1.00 54.20 H new -ATOM 0 1HB LYS D 339 18.990 24.171 -62.357 1.00 57.99 H new -ATOM 0 2HB LYS D 339 19.162 23.104 -60.956 1.00 57.99 H new -ATOM 0 1HG LYS D 339 19.526 22.110 -63.821 1.00 56.29 H new -ATOM 0 2HG LYS D 339 20.851 22.810 -62.881 1.00 56.29 H new -ATOM 0 1HD LYS D 339 20.544 21.083 -61.113 1.00 77.15 H new -ATOM 0 2HD LYS D 339 19.164 20.406 -61.988 1.00 77.15 H new -ATOM 0 1HE LYS D 339 21.055 19.009 -62.504 1.00 95.60 H new -ATOM 0 2HE LYS D 339 20.710 19.954 -63.959 1.00 95.60 H new -ATOM 0 1HZ LYS D 339 23.055 19.879 -63.489 1.00 67.41 H + new -ATOM 0 2HZ LYS D 339 22.532 21.420 -63.357 1.00 67.41 H + new -ATOM 0 3HZ LYS D 339 22.851 20.548 -62.014 1.00 67.41 H + new -ATOM 2261 N GLN D 340 16.264 24.733 -61.533 1.00 49.02 -ATOM 2262 CA GLN D 340 15.496 25.624 -60.665 1.00 40.17 -ATOM 2263 C GLN D 340 14.403 26.361 -61.441 1.00 38.61 -ATOM 2264 O GLN D 340 14.690 27.299 -62.185 1.00 38.28 -ATOM 2265 CB GLN D 340 16.430 26.633 -60.002 1.00 44.05 -ATOM 2266 CG GLN D 340 15.748 27.512 -58.971 1.00 54.82 -ATOM 2267 CD GLN D 340 14.987 26.704 -57.940 1.00 64.40 -ATOM 2268 OE1 GLN D 340 15.555 25.847 -57.260 1.00 55.72 -ATOM 2269 NE2 GLN D 340 13.690 26.971 -57.821 1.00 67.63 -ATOM 0 H GLN D 340 16.539 25.148 -62.400 1.00 49.02 H new -ATOM 0 HA GLN D 340 15.008 25.008 -59.895 1.00 40.17 H new -ATOM 0 1HB GLN D 340 17.257 26.091 -59.519 1.00 44.05 H new -ATOM 0 2HB GLN D 340 16.875 27.272 -60.779 1.00 44.05 H new -ATOM 0 1HG GLN D 340 16.502 28.132 -58.464 1.00 54.82 H new -ATOM 0 2HG GLN D 340 15.056 28.199 -59.479 1.00 54.82 H new -ATOM 0 1HE2 GLN D 340 13.135 26.468 -57.159 1.00 67.63 H new -ATOM 0 2HE2 GLN D 340 13.270 27.675 -58.393 1.00 67.63 H new -ATOM 2270 N LYS D 341 13.154 25.942 -61.254 1.00 28.87 -ATOM 2271 CA LYS D 341 12.039 26.436 -62.058 1.00 31.03 -ATOM 2272 C LYS D 341 11.932 27.952 -62.051 1.00 28.28 -ATOM 2273 O LYS D 341 11.942 28.565 -60.993 1.00 32.64 -ATOM 2274 CB LYS D 341 10.712 25.834 -61.593 1.00 27.77 -ATOM 2275 CG LYS D 341 9.529 26.238 -62.468 1.00 34.85 -ATOM 2276 CD LYS D 341 8.238 25.578 -62.025 1.00 28.48 -ATOM 2277 CE LYS D 341 7.692 26.237 -60.780 1.00 38.92 -ATOM 2278 NZ LYS D 341 6.501 25.516 -60.272 1.00 37.68 -ATOM 0 H LYS D 341 12.893 25.270 -60.561 1.00 28.87 H new -ATOM 0 HA LYS D 341 12.249 26.117 -63.090 1.00 31.03 H new -ATOM 0 1HB LYS D 341 10.797 24.737 -61.586 1.00 27.77 H new -ATOM 0 2HB LYS D 341 10.517 26.148 -60.557 1.00 27.77 H new -ATOM 0 1HG LYS D 341 9.409 27.331 -62.438 1.00 34.85 H new -ATOM 0 2HG LYS D 341 9.738 25.966 -63.513 1.00 34.85 H new -ATOM 0 1HD LYS D 341 7.494 25.639 -62.833 1.00 28.48 H new -ATOM 0 2HD LYS D 341 8.415 24.510 -61.831 1.00 28.48 H new -ATOM 0 1HE LYS D 341 8.470 26.260 -60.002 1.00 38.92 H new -ATOM 0 2HE LYS D 341 7.426 27.281 -61.001 1.00 38.92 H new -ATOM 0 1HZ LYS D 341 5.992 26.110 -59.649 1.00 37.68 H + new -ATOM 0 2HZ LYS D 341 5.914 25.258 -61.040 1.00 37.68 H + new -ATOM 0 3HZ LYS D 341 6.792 24.693 -59.784 1.00 37.68 H + new -ATOM 2279 N GLY D 342 11.831 28.542 -63.239 1.00 17.42 -ATOM 2280 CA GLY D 342 11.677 29.976 -63.381 1.00 20.73 -ATOM 2281 C GLY D 342 12.967 30.693 -63.721 1.00 27.89 -ATOM 2282 O GLY D 342 12.964 31.875 -64.071 1.00 32.32 -ATOM 0 H GLY D 342 11.854 28.046 -64.107 1.00 17.42 H new -ATOM 0 1HA GLY D 342 10.935 30.181 -64.167 1.00 20.73 H new -ATOM 0 2HA GLY D 342 11.274 30.388 -62.444 1.00 20.73 H new -ATOM 2283 N ASP D 343 14.083 29.988 -63.612 1.00 20.75 -ATOM 2284 CA ASP D 343 15.372 30.609 -63.853 1.00 27.14 -ATOM 2285 C ASP D 343 15.643 30.689 -65.354 1.00 33.63 -ATOM 2286 O ASP D 343 15.485 29.713 -66.082 1.00 18.69 -ATOM 2287 CB ASP D 343 16.489 29.837 -63.150 1.00 32.85 -ATOM 2288 CG ASP D 343 16.780 30.359 -61.763 1.00 39.61 -ATOM 2289 OD1 ASP D 343 16.389 31.502 -61.454 1.00 51.44 -ATOM 2290 OD2 ASP D 343 17.410 29.623 -60.977 1.00 58.22 -ATOM 0 H ASP D 343 14.120 29.019 -63.367 1.00 20.75 H new -ATOM 0 HA ASP D 343 15.349 31.628 -63.440 1.00 27.14 H new -ATOM 0 1HB ASP D 343 16.210 28.775 -63.086 1.00 32.85 H new -ATOM 0 2HB ASP D 343 17.405 29.893 -63.757 1.00 32.85 H new -ATOM 2291 N LEU D 344 16.050 31.860 -65.815 1.00 23.89 -ATOM 2292 CA LEU D 344 16.283 32.063 -67.230 1.00 21.29 -ATOM 2293 C LEU D 344 17.736 32.470 -67.476 1.00 27.74 -ATOM 2294 O LEU D 344 18.385 33.089 -66.632 1.00 19.45 -ATOM 2295 CB LEU D 344 15.322 33.119 -67.778 1.00 27.50 -ATOM 2296 CG LEU D 344 13.815 32.845 -67.679 1.00 21.53 -ATOM 2297 CD1 LEU D 344 13.050 34.139 -67.714 1.00 13.97 -ATOM 2298 CD2 LEU D 344 13.322 31.915 -68.776 1.00 17.72 -ATOM 0 H LEU D 344 16.221 32.662 -65.243 1.00 23.89 H new -ATOM 0 HA LEU D 344 16.096 31.117 -67.760 1.00 21.29 H new -ATOM 0 1HB LEU D 344 15.527 34.065 -67.255 1.00 27.50 H new -ATOM 0 2HB LEU D 344 15.566 33.278 -68.839 1.00 27.50 H new -ATOM 0 HG LEU D 344 13.639 32.338 -66.719 1.00 21.53 H new -ATOM 0 1HD1 LEU D 344 11.972 33.930 -67.642 1.00 13.97 H new -ATOM 0 2HD1 LEU D 344 13.358 34.771 -66.868 1.00 13.97 H new -ATOM 0 3HD1 LEU D 344 13.259 34.664 -68.658 1.00 13.97 H new -ATOM 0 1HD2 LEU D 344 12.240 31.752 -68.660 1.00 17.72 H new -ATOM 0 2HD2 LEU D 344 13.521 32.368 -69.758 1.00 17.72 H new -ATOM 0 3HD2 LEU D 344 13.848 30.951 -68.704 1.00 17.72 H new -ATOM 2299 N ALA D 345 18.243 32.093 -68.639 1.00 19.96 -ATOM 2300 CA ALA D 345 19.586 32.463 -69.053 1.00 30.38 -ATOM 2301 C ALA D 345 19.616 32.600 -70.567 1.00 26.81 -ATOM 2302 O ALA D 345 18.915 31.885 -71.276 1.00 24.26 -ATOM 2303 CB ALA D 345 20.585 31.429 -68.595 1.00 19.19 -ATOM 0 H ALA D 345 17.748 31.536 -69.306 1.00 19.96 H new -ATOM 0 HA ALA D 345 19.860 33.424 -68.592 1.00 30.38 H new -ATOM 0 1HB ALA D 345 21.594 31.726 -68.917 1.00 19.19 H new -ATOM 0 2HB ALA D 345 20.558 31.353 -67.498 1.00 19.19 H new -ATOM 0 3HB ALA D 345 20.332 30.453 -69.036 1.00 19.19 H new -ATOM 2304 N LEU D 346 20.412 33.533 -71.069 1.00 31.38 -ATOM 2305 CA LEU D 346 20.457 33.751 -72.505 1.00 29.89 -ATOM 2306 C LEU D 346 20.987 32.509 -73.214 1.00 27.62 -ATOM 2307 O LEU D 346 21.885 31.829 -72.717 1.00 22.92 -ATOM 2308 CB LEU D 346 21.302 34.967 -72.846 1.00 24.41 -ATOM 2309 CG LEU D 346 21.573 35.134 -74.339 1.00 29.98 -ATOM 2310 CD1 LEU D 346 20.302 35.500 -75.075 1.00 26.46 -ATOM 2311 CD2 LEU D 346 22.632 36.181 -74.543 1.00 29.66 -ATOM 0 H LEU D 346 21.009 34.126 -70.529 1.00 31.38 H new -ATOM 0 HA LEU D 346 19.432 33.944 -72.856 1.00 29.89 H new -ATOM 0 1HB LEU D 346 20.796 35.869 -72.472 1.00 24.41 H new -ATOM 0 2HB LEU D 346 22.263 34.894 -72.315 1.00 24.41 H new -ATOM 0 HG LEU D 346 21.933 34.179 -74.749 1.00 29.98 H new -ATOM 0 1HD1 LEU D 346 20.519 35.615 -76.147 1.00 26.46 H new -ATOM 0 2HD1 LEU D 346 19.555 34.704 -74.936 1.00 26.46 H new -ATOM 0 3HD1 LEU D 346 19.907 36.446 -74.677 1.00 26.46 H new -ATOM 0 1HD2 LEU D 346 22.827 36.301 -75.619 1.00 29.66 H new -ATOM 0 2HD2 LEU D 346 22.288 37.138 -74.124 1.00 29.66 H new -ATOM 0 3HD2 LEU D 346 23.557 35.871 -74.035 1.00 29.66 H new -ATOM 2312 N LYS D 347 20.406 32.202 -74.364 1.00 21.11 -ATOM 2313 CA LYS D 347 20.847 31.063 -75.140 1.00 33.05 -ATOM 2314 C LYS D 347 21.383 31.513 -76.477 1.00 25.08 -ATOM 2315 O LYS D 347 22.308 30.923 -76.995 1.00 27.37 -ATOM 2316 CB LYS D 347 19.716 30.064 -75.364 1.00 26.35 -ATOM 2317 CG LYS D 347 20.208 28.622 -75.597 1.00 23.33 -ATOM 2318 CD LYS D 347 20.651 28.375 -77.006 1.00 26.50 -ATOM 2319 CE LYS D 347 20.783 26.872 -77.320 1.00 40.10 -ATOM 2320 NZ LYS D 347 21.805 26.131 -76.514 1.00 23.32 -ATOM 0 H LYS D 347 19.648 32.715 -74.767 1.00 21.11 H new -ATOM 0 HA LYS D 347 21.644 30.566 -74.567 1.00 33.05 H new -ATOM 0 1HB LYS D 347 19.047 30.078 -74.491 1.00 26.35 H new -ATOM 0 2HB LYS D 347 19.120 30.385 -76.232 1.00 26.35 H new -ATOM 0 1HG LYS D 347 21.044 28.411 -74.914 1.00 23.33 H new -ATOM 0 2HG LYS D 347 19.400 27.920 -75.344 1.00 23.33 H new -ATOM 0 1HD LYS D 347 19.930 28.831 -77.700 1.00 26.50 H new -ATOM 0 2HD LYS D 347 21.619 28.870 -77.176 1.00 26.50 H new -ATOM 0 1HE LYS D 347 19.804 26.396 -77.164 1.00 40.10 H new -ATOM 0 2HE LYS D 347 21.030 26.759 -78.386 1.00 40.10 H new -ATOM 0 1HZ LYS D 347 21.815 25.170 -76.790 1.00 23.32 H + new -ATOM 0 2HZ LYS D 347 22.708 26.531 -76.670 1.00 23.32 H + new -ATOM 0 3HZ LYS D 347 21.576 26.196 -75.543 1.00 23.32 H + new -ATOM 2321 N GLN D 348 20.812 32.570 -77.032 1.00 24.64 -ATOM 2322 CA GLN D 348 21.152 32.944 -78.391 1.00 22.88 -ATOM 2323 C GLN D 348 20.380 34.172 -78.837 1.00 25.48 -ATOM 2324 O GLN D 348 19.264 34.420 -78.389 1.00 28.84 -ATOM 2325 CB GLN D 348 20.838 31.776 -79.321 1.00 20.17 -ATOM 2326 CG GLN D 348 21.425 31.875 -80.705 1.00 25.61 -ATOM 2327 CD GLN D 348 21.225 30.611 -81.518 1.00 22.89 -ATOM 2328 OE1 GLN D 348 20.905 29.551 -80.986 1.00 29.79 -ATOM 2329 NE2 GLN D 348 21.409 30.722 -82.813 1.00 20.14 -ATOM 0 H GLN D 348 20.140 33.159 -76.583 1.00 24.64 H new -ATOM 0 HA GLN D 348 22.224 33.186 -78.429 1.00 22.88 H new -ATOM 0 1HB GLN D 348 21.201 30.849 -78.853 1.00 20.17 H new -ATOM 0 2HB GLN D 348 19.745 31.684 -79.411 1.00 20.17 H new -ATOM 0 1HG GLN D 348 20.965 32.723 -81.234 1.00 25.61 H new -ATOM 0 2HG GLN D 348 22.501 32.090 -80.628 1.00 25.61 H new -ATOM 0 1HE2 GLN D 348 21.289 29.925 -83.405 1.00 20.14 H new -ATOM 0 2HE2 GLN D 348 21.669 31.603 -83.207 1.00 20.14 H new -ATOM 2330 N ILE D 349 20.984 34.945 -79.722 1.00 23.91 -ATOM 2331 CA ILE D 349 20.291 36.049 -80.363 1.00 31.41 -ATOM 2332 C ILE D 349 20.385 35.795 -81.848 1.00 24.71 -ATOM 2333 O ILE D 349 21.441 35.443 -82.339 1.00 21.71 -ATOM 2334 CB ILE D 349 20.955 37.397 -80.038 1.00 24.77 -ATOM 2335 CG1 ILE D 349 20.977 37.626 -78.535 1.00 20.10 -ATOM 2336 CG2 ILE D 349 20.258 38.541 -80.757 1.00 17.09 -ATOM 2337 CD1 ILE D 349 21.477 38.971 -78.169 1.00 34.08 -ATOM 0 H ILE D 349 21.935 34.831 -80.008 1.00 23.91 H new -ATOM 0 HA ILE D 349 19.251 36.104 -80.009 1.00 31.41 H new -ATOM 0 HB ILE D 349 21.994 37.366 -80.399 1.00 24.77 H new -ATOM 0 1HG1 ILE D 349 19.961 37.495 -78.133 1.00 20.10 H new -ATOM 0 2HG1 ILE D 349 21.611 36.862 -78.061 1.00 20.10 H new -ATOM 0 1HG2 ILE D 349 20.754 39.490 -80.505 1.00 17.09 H new -ATOM 0 2HG2 ILE D 349 20.310 38.378 -81.844 1.00 17.09 H new -ATOM 0 3HG2 ILE D 349 19.205 38.584 -80.443 1.00 17.09 H new -ATOM 0 1HD1 ILE D 349 21.471 39.080 -77.074 1.00 34.08 H new -ATOM 0 2HD1 ILE D 349 22.504 39.095 -78.544 1.00 34.08 H new -ATOM 0 3HD1 ILE D 349 20.828 39.738 -78.617 1.00 34.08 H new -ATOM 2338 N ILE D 350 19.278 35.949 -82.554 1.00 23.43 -ATOM 2339 CA ILE D 350 19.270 35.749 -83.991 1.00 23.07 -ATOM 2340 C ILE D 350 18.859 37.048 -84.661 1.00 23.44 -ATOM 2341 O ILE D 350 17.839 37.633 -84.323 1.00 16.79 -ATOM 2342 CB ILE D 350 18.336 34.589 -84.400 1.00 19.69 -ATOM 2343 CG1 ILE D 350 18.784 33.296 -83.722 1.00 27.68 -ATOM 2344 CG2 ILE D 350 18.306 34.417 -85.899 1.00 12.90 -ATOM 2345 CD1 ILE D 350 17.869 32.121 -83.950 1.00 17.14 -ATOM 0 H ILE D 350 18.394 36.206 -82.164 1.00 23.43 H new -ATOM 0 HA ILE D 350 20.281 35.467 -84.321 1.00 23.07 H new -ATOM 0 HB ILE D 350 17.315 34.832 -84.069 1.00 19.69 H new -ATOM 0 1HG1 ILE D 350 19.790 33.037 -84.084 1.00 27.68 H new -ATOM 0 2HG1 ILE D 350 18.868 33.475 -82.640 1.00 27.68 H new -ATOM 0 1HG2 ILE D 350 17.634 33.586 -86.160 1.00 12.90 H new -ATOM 0 2HG2 ILE D 350 17.942 35.343 -86.368 1.00 12.90 H new -ATOM 0 3HG2 ILE D 350 19.320 34.197 -86.264 1.00 12.90 H new -ATOM 0 1HD1 ILE D 350 18.268 31.239 -83.428 1.00 17.14 H new -ATOM 0 2HD1 ILE D 350 16.867 32.355 -83.561 1.00 17.14 H new -ATOM 0 3HD1 ILE D 350 17.803 31.910 -85.028 1.00 17.14 H new -ATOM 2346 N THR D 351 19.677 37.484 -85.609 1.00 32.22 -ATOM 2347 CA THR D 351 19.507 38.761 -86.292 1.00 30.99 -ATOM 2348 C THR D 351 19.008 38.552 -87.713 1.00 18.26 -ATOM 2349 O THR D 351 19.327 37.559 -88.340 1.00 30.42 -ATOM 2350 CB THR D 351 20.839 39.523 -86.353 1.00 33.12 -ATOM 2351 OG1 THR D 351 21.307 39.780 -85.022 1.00 26.93 -ATOM 2352 CG2 THR D 351 20.660 40.838 -87.073 1.00 39.02 -ATOM 0 H THR D 351 20.472 36.965 -85.924 1.00 32.22 H new -ATOM 0 HA THR D 351 18.768 39.344 -85.722 1.00 30.99 H new -ATOM 0 HB THR D 351 21.571 38.908 -86.898 1.00 33.12 H new -ATOM 0 HG1 THR D 351 22.233 40.157 -85.061 1.00 26.93 H new -ATOM 0 1HG2 THR D 351 21.622 41.371 -87.108 1.00 39.02 H new -ATOM 0 2HG2 THR D 351 20.307 40.650 -88.098 1.00 39.02 H new -ATOM 0 3HG2 THR D 351 19.920 41.452 -86.538 1.00 39.02 H new -ATOM 2353 N PHE D 352 18.213 39.487 -88.205 1.00 15.77 -ATOM 2354 CA PHE D 352 17.597 39.362 -89.512 1.00 19.60 -ATOM 2355 C PHE D 352 17.816 40.646 -90.327 1.00 20.90 -ATOM 2356 O PHE D 352 18.237 41.672 -89.789 1.00 18.37 -ATOM 2357 CB PHE D 352 16.100 39.063 -89.365 1.00 17.20 -ATOM 2358 CG PHE D 352 15.793 37.937 -88.418 1.00 23.47 -ATOM 2359 CD1 PHE D 352 15.680 38.161 -87.059 1.00 19.60 -ATOM 2360 CD2 PHE D 352 15.602 36.658 -88.889 1.00 22.28 -ATOM 2361 CE1 PHE D 352 15.400 37.131 -86.194 1.00 22.35 -ATOM 2362 CE2 PHE D 352 15.317 35.630 -88.023 1.00 25.08 -ATOM 2363 CZ PHE D 352 15.211 35.866 -86.677 1.00 18.87 -ATOM 0 H PHE D 352 17.983 40.332 -87.722 1.00 15.77 H new -ATOM 0 HA PHE D 352 18.068 38.525 -90.049 1.00 19.60 H new -ATOM 0 1HB PHE D 352 15.587 39.972 -89.017 1.00 17.20 H new -ATOM 0 2HB PHE D 352 15.686 38.820 -90.355 1.00 17.20 H new -ATOM 0 HD1 PHE D 352 15.816 39.179 -86.664 1.00 19.60 H new -ATOM 0 HD2 PHE D 352 15.678 36.457 -89.968 1.00 22.28 H new -ATOM 0 HE1 PHE D 352 15.328 37.324 -85.113 1.00 22.35 H new -ATOM 0 HE2 PHE D 352 15.173 34.611 -88.412 1.00 25.08 H new -ATOM 0 HZ PHE D 352 14.975 35.041 -85.988 1.00 18.87 H new -ATOM 2364 N PRO D 353 17.537 40.587 -91.632 1.00 17.63 -ATOM 2365 CA PRO D 353 17.793 41.746 -92.495 1.00 31.35 -ATOM 2366 C PRO D 353 16.800 42.882 -92.252 1.00 34.11 -ATOM 2367 O PRO D 353 17.039 44.015 -92.670 1.00 19.57 -ATOM 2368 CB PRO D 353 17.625 41.180 -93.915 1.00 13.49 -ATOM 2369 CG PRO D 353 17.673 39.695 -93.766 1.00 23.23 -ATOM 2370 CD PRO D 353 17.169 39.383 -92.401 1.00 20.20 -ATOM 0 HA PRO D 353 18.784 42.186 -92.308 1.00 31.35 H new -ATOM 0 1HB PRO D 353 16.671 41.502 -94.358 1.00 13.49 H new -ATOM 0 2HB PRO D 353 18.426 41.537 -94.580 1.00 13.49 H new -ATOM 0 1HG PRO D 353 17.053 39.206 -94.532 1.00 23.23 H new -ATOM 0 2HG PRO D 353 18.700 39.323 -93.897 1.00 23.23 H new -ATOM 0 1HD PRO D 353 16.082 39.212 -92.397 1.00 20.20 H new -ATOM 0 2HD PRO D 353 17.638 38.477 -91.990 1.00 20.20 H new -ATOM 2371 N TYR D 354 15.695 42.575 -91.581 1.00 24.63 -ATOM 2372 CA TYR D 354 14.683 43.578 -91.282 1.00 22.19 -ATOM 2373 C TYR D 354 14.161 43.441 -89.865 1.00 23.33 -ATOM 2374 O TYR D 354 14.522 42.512 -89.149 1.00 20.45 -ATOM 2375 CB TYR D 354 13.509 43.439 -92.237 1.00 19.54 -ATOM 2376 CG TYR D 354 13.857 43.602 -93.690 1.00 25.62 -ATOM 2377 CD1 TYR D 354 14.119 44.854 -94.225 1.00 36.96 -ATOM 2378 CD2 TYR D 354 13.909 42.502 -94.536 1.00 34.58 -ATOM 2379 CE1 TYR D 354 14.428 45.010 -95.561 1.00 33.37 -ATOM 2380 CE2 TYR D 354 14.219 42.643 -95.871 1.00 36.54 -ATOM 2381 CZ TYR D 354 14.477 43.902 -96.381 1.00 45.30 -ATOM 2382 OH TYR D 354 14.789 44.043 -97.711 1.00 34.23 -ATOM 0 H TYR D 354 15.483 41.659 -91.242 1.00 24.63 H new -ATOM 0 HA TYR D 354 15.160 44.563 -91.396 1.00 22.19 H new -ATOM 0 1HB TYR D 354 13.052 42.449 -92.093 1.00 19.54 H new -ATOM 0 2HB TYR D 354 12.747 44.187 -91.971 1.00 19.54 H new -ATOM 0 HD1 TYR D 354 14.080 45.739 -93.573 1.00 36.96 H new -ATOM 0 HD2 TYR D 354 13.699 41.500 -94.133 1.00 34.58 H new -ATOM 0 HE1 TYR D 354 14.634 46.011 -95.969 1.00 33.37 H new -ATOM 0 HE2 TYR D 354 14.261 41.760 -96.526 1.00 36.54 H new -ATOM 0 HH TYR D 354 14.925 43.140 -98.120 1.00 34.23 H new -ATOM 2383 N ASN D 355 13.293 44.367 -89.468 1.00 29.14 -ATOM 2384 CA ASN D 355 12.614 44.285 -88.178 1.00 21.51 -ATOM 2385 C ASN D 355 11.706 43.062 -88.105 1.00 18.11 -ATOM 2386 O ASN D 355 10.976 42.758 -89.054 1.00 10.66 -ATOM 2387 CB ASN D 355 11.753 45.521 -87.951 1.00 15.90 -ATOM 2388 CG ASN D 355 12.562 46.752 -87.577 1.00 15.53 -ATOM 2389 OD1 ASN D 355 13.772 46.556 -87.095 1.00 12.48 flip -ATOM 2390 ND2 ASN D 355 12.081 47.868 -87.711 1.00 16.83 flip -ATOM 0 H ASN D 355 13.047 45.169 -90.012 1.00 29.14 H new -ATOM 0 HA ASN D 355 13.395 44.211 -87.407 1.00 21.51 H new -ATOM 0 1HB ASN D 355 11.177 45.732 -88.864 1.00 15.90 H new -ATOM 0 2HB ASN D 355 11.025 45.312 -87.153 1.00 15.90 H new -ATOM 0 1HD2 ASN D 355 12.611 48.675 -87.451 1.00 16.83 H new -ATOM 0 2HD2 ASN D 355 11.158 47.974 -88.081 1.00 16.83 H new -ATOM 2391 N VAL D 356 11.747 42.369 -86.971 1.00 18.17 -ATOM 2392 CA VAL D 356 10.774 41.321 -86.697 1.00 10.81 -ATOM 2393 C VAL D 356 9.424 41.948 -86.409 1.00 12.51 -ATOM 2394 O VAL D 356 9.310 42.883 -85.625 1.00 12.21 -ATOM 2395 CB VAL D 356 11.204 40.445 -85.532 1.00 16.45 -ATOM 2396 CG1 VAL D 356 10.059 39.512 -85.118 1.00 13.01 -ATOM 2397 CG2 VAL D 356 12.459 39.660 -85.914 1.00 15.35 -ATOM 0 H VAL D 356 12.424 42.510 -86.249 1.00 18.17 H new -ATOM 0 HA VAL D 356 10.704 40.677 -87.586 1.00 10.81 H new -ATOM 0 HB VAL D 356 11.446 41.078 -84.665 1.00 16.45 H new -ATOM 0 1HG1 VAL D 356 10.383 38.884 -84.275 1.00 13.01 H new -ATOM 0 2HG1 VAL D 356 9.188 40.112 -84.814 1.00 13.01 H new -ATOM 0 3HG1 VAL D 356 9.783 38.870 -85.968 1.00 13.01 H new -ATOM 0 1HG2 VAL D 356 12.768 39.027 -85.069 1.00 15.35 H new -ATOM 0 2HG2 VAL D 356 12.244 39.026 -86.787 1.00 15.35 H new -ATOM 0 3HG2 VAL D 356 13.270 40.361 -86.161 1.00 15.35 H new -ATOM 2398 N ILE D 357 8.405 41.434 -87.072 1.00 18.69 -ATOM 2399 CA ILE D 357 7.047 41.957 -86.972 1.00 15.65 -ATOM 2400 C ILE D 357 6.104 40.958 -86.269 1.00 15.78 -ATOM 2401 O ILE D 357 5.052 41.338 -85.747 1.00 26.47 -ATOM 2402 CB ILE D 357 6.540 42.310 -88.395 1.00 27.20 -ATOM 2403 CG1 ILE D 357 6.584 43.814 -88.605 1.00 29.06 -ATOM 2404 CG2 ILE D 357 5.144 41.804 -88.633 1.00 39.99 -ATOM 2405 CD1 ILE D 357 7.710 44.481 -87.862 1.00 31.80 -ATOM 0 H ILE D 357 8.491 40.651 -87.689 1.00 18.69 H new -ATOM 0 HA ILE D 357 7.055 42.866 -86.353 1.00 15.65 H new -ATOM 0 HB ILE D 357 7.206 41.815 -89.117 1.00 27.20 H new -ATOM 0 1HG1 ILE D 357 6.686 44.025 -89.680 1.00 29.06 H new -ATOM 0 2HG1 ILE D 357 5.628 44.252 -88.280 1.00 29.06 H new -ATOM 0 1HG2 ILE D 357 4.824 42.074 -89.650 1.00 39.99 H new -ATOM 0 2HG2 ILE D 357 5.126 40.710 -88.522 1.00 39.99 H new -ATOM 0 3HG2 ILE D 357 4.459 42.257 -87.901 1.00 39.99 H new -ATOM 0 1HD1 ILE D 357 7.687 45.564 -88.055 1.00 31.80 H new -ATOM 0 2HD1 ILE D 357 7.597 44.299 -86.783 1.00 31.80 H new -ATOM 0 3HD1 ILE D 357 8.671 44.069 -88.204 1.00 31.80 H new -ATOM 2406 N SER D 358 6.489 39.683 -86.238 1.00 11.82 -ATOM 2407 CA SER D 358 5.694 38.649 -85.571 1.00 13.95 -ATOM 2408 C SER D 358 6.577 37.473 -85.194 1.00 14.14 -ATOM 2409 O SER D 358 7.613 37.254 -85.796 1.00 12.58 -ATOM 2410 CB SER D 358 4.521 38.180 -86.428 1.00 11.46 -ATOM 2411 OG SER D 358 4.945 37.249 -87.394 1.00 21.90 -ATOM 0 H SER D 358 7.331 39.346 -86.659 1.00 11.82 H new -ATOM 0 HA SER D 358 5.271 39.095 -84.659 1.00 13.95 H new -ATOM 0 1HB SER D 358 4.056 39.044 -86.925 1.00 11.46 H new -ATOM 0 2HB SER D 358 3.752 37.725 -85.787 1.00 11.46 H new -ATOM 0 HG SER D 358 4.465 36.383 -87.256 1.00 21.90 H new -ATOM 2412 N LEU D 359 6.178 36.751 -84.158 1.00 14.78 -ATOM 2413 CA LEU D 359 6.962 35.644 -83.657 1.00 14.29 -ATOM 2414 C LEU D 359 6.023 34.521 -83.317 1.00 8.76 -ATOM 2415 O LEU D 359 5.057 34.727 -82.613 1.00 23.90 -ATOM 2416 CB LEU D 359 7.746 36.059 -82.421 1.00 13.99 -ATOM 2417 CG LEU D 359 8.455 34.913 -81.692 1.00 12.52 -ATOM 2418 CD1 LEU D 359 9.236 34.044 -82.654 1.00 6.89 -ATOM 2419 CD2 LEU D 359 9.380 35.447 -80.600 1.00 14.50 -ATOM 0 H LEU D 359 5.327 36.914 -83.659 1.00 14.78 H new -ATOM 0 HA LEU D 359 7.683 35.322 -84.423 1.00 14.29 H new -ATOM 0 1HB LEU D 359 8.497 36.807 -82.715 1.00 13.99 H new -ATOM 0 2HB LEU D 359 7.059 36.552 -81.718 1.00 13.99 H new -ATOM 0 HG LEU D 359 7.676 34.294 -81.223 1.00 12.52 H new -ATOM 0 1HD1 LEU D 359 9.731 33.234 -82.098 1.00 6.89 H new -ATOM 0 2HD1 LEU D 359 8.551 33.612 -83.398 1.00 6.89 H new -ATOM 0 3HD1 LEU D 359 9.995 34.654 -83.166 1.00 6.89 H new -ATOM 0 1HD2 LEU D 359 9.875 34.605 -80.094 1.00 14.50 H new -ATOM 0 2HD2 LEU D 359 10.140 36.102 -81.051 1.00 14.50 H new -ATOM 0 3HD2 LEU D 359 8.792 36.019 -79.868 1.00 14.50 H new -ATOM 2420 N SER D 360 6.301 33.336 -83.841 1.00 15.96 -ATOM 2421 CA SER D 360 5.419 32.181 -83.674 1.00 11.12 -ATOM 2422 C SER D 360 6.241 30.931 -83.451 1.00 21.55 -ATOM 2423 O SER D 360 7.453 30.901 -83.697 1.00 17.06 -ATOM 2424 CB SER D 360 4.539 31.986 -84.902 1.00 12.33 -ATOM 2425 OG SER D 360 3.673 33.089 -85.086 1.00 49.97 -ATOM 0 H SER D 360 7.122 33.148 -84.381 1.00 15.96 H new -ATOM 0 HA SER D 360 4.776 32.367 -82.801 1.00 11.12 H new -ATOM 0 1HB SER D 360 3.948 31.065 -84.792 1.00 12.33 H new -ATOM 0 2HB SER D 360 5.170 31.858 -85.794 1.00 12.33 H new -ATOM 0 HG SER D 360 2.951 32.842 -85.733 1.00 49.97 H new -ATOM 2426 N ALA D 361 5.581 29.887 -82.983 1.00 19.56 -ATOM 2427 CA ALA D 361 6.276 28.646 -82.728 1.00 20.50 -ATOM 2428 C ALA D 361 5.459 27.496 -83.273 1.00 24.84 -ATOM 2429 O ALA D 361 4.235 27.488 -83.181 1.00 30.01 -ATOM 2430 CB ALA D 361 6.527 28.483 -81.244 1.00 7.83 -ATOM 0 H ALA D 361 4.602 29.876 -82.780 1.00 19.56 H new -ATOM 0 HA ALA D 361 7.253 28.657 -83.234 1.00 20.50 H new -ATOM 0 1HB ALA D 361 7.056 27.536 -81.063 1.00 7.83 H new -ATOM 0 2HB ALA D 361 7.141 29.320 -80.881 1.00 7.83 H new -ATOM 0 3HB ALA D 361 5.567 28.474 -80.708 1.00 7.83 H new -ATOM 2431 N HIS D 362 6.143 26.546 -83.886 1.00 23.71 -ATOM 2432 CA HIS D 362 5.514 25.307 -84.285 1.00 27.68 -ATOM 2433 C HIS D 362 6.354 24.156 -83.768 1.00 32.45 -ATOM 2434 O HIS D 362 7.447 23.904 -84.275 1.00 30.10 -ATOM 2435 CB HIS D 362 5.366 25.210 -85.797 1.00 24.67 -ATOM 2436 CG HIS D 362 4.779 23.909 -86.242 1.00 45.65 -ATOM 2437 ND1 HIS D 362 5.552 22.818 -86.584 1.00 29.40 -ATOM 2438 CD2 HIS D 362 3.490 23.507 -86.349 1.00 37.67 -ATOM 2439 CE1 HIS D 362 4.763 21.812 -86.913 1.00 32.19 -ATOM 2440 NE2 HIS D 362 3.508 22.202 -86.775 1.00 32.26 -ATOM 0 H HIS D 362 7.115 26.611 -84.112 1.00 23.71 H new -ATOM 0 HA HIS D 362 4.501 25.268 -83.858 1.00 27.68 H new -ATOM 0 1HB HIS D 362 4.729 26.034 -86.152 1.00 24.67 H new -ATOM 0 2HB HIS D 362 6.352 25.341 -86.266 1.00 24.67 H new -ATOM 0 HD2 HIS D 362 2.597 24.112 -86.135 1.00 37.67 H new -ATOM 0 HE1 HIS D 362 5.094 20.817 -87.246 1.00 32.19 H new -ATOM 0 HE2 HIS D 362 2.702 21.638 -86.952 1.00 32.26 H new -ATOM 2441 N ASN D 363 5.841 23.469 -82.752 1.00 26.56 -ATOM 2442 CA ASN D 363 6.602 22.440 -82.055 1.00 32.51 -ATOM 2443 C ASN D 363 7.892 23.031 -81.520 1.00 29.34 -ATOM 2444 O ASN D 363 7.863 23.869 -80.633 1.00 28.21 -ATOM 2445 CB ASN D 363 6.881 21.240 -82.961 1.00 37.22 -ATOM 2446 CG ASN D 363 5.621 20.489 -83.340 1.00 31.60 -ATOM 2447 OD1 ASN D 363 4.678 20.419 -82.565 1.00 40.07 -ATOM 2448 ND2 ASN D 363 5.605 19.918 -84.537 1.00 51.90 -ATOM 0 H ASN D 363 4.915 23.605 -82.399 1.00 26.56 H new -ATOM 0 HA ASN D 363 6.001 22.074 -81.210 1.00 32.51 H new -ATOM 0 1HB ASN D 363 7.386 21.585 -83.875 1.00 37.22 H new -ATOM 0 2HB ASN D 363 7.573 20.554 -82.451 1.00 37.22 H new -ATOM 0 1HD2 ASN D 363 4.800 19.406 -84.836 1.00 51.90 H new -ATOM 0 2HD2 ASN D 363 6.398 20.000 -85.141 1.00 51.90 H new -ATOM 2449 N ASP D 364 9.023 22.616 -82.073 1.00 36.15 -ATOM 2450 CA ASP D 364 10.313 23.121 -81.613 1.00 29.50 -ATOM 2451 C ASP D 364 10.984 24.085 -82.598 1.00 32.39 -ATOM 2452 O ASP D 364 12.171 24.376 -82.477 1.00 34.82 -ATOM 2453 CB ASP D 364 11.245 21.959 -81.270 1.00 31.07 -ATOM 2454 CG ASP D 364 10.756 21.150 -80.082 1.00 30.52 -ATOM 2455 OD1 ASP D 364 10.666 19.917 -80.194 1.00 35.54 -ATOM 2456 OD2 ASP D 364 10.458 21.740 -79.030 1.00 29.04 -ATOM 0 H ASP D 364 9.075 21.951 -82.818 1.00 36.15 H new -ATOM 0 HA ASP D 364 10.111 23.711 -80.707 1.00 29.50 H new -ATOM 0 1HB ASP D 364 11.339 21.299 -82.145 1.00 31.07 H new -ATOM 0 2HB ASP D 364 12.250 22.351 -81.053 1.00 31.07 H new -ATOM 2457 N GLU D 365 10.224 24.587 -83.565 1.00 30.04 -ATOM 2458 CA GLU D 365 10.753 25.588 -84.486 1.00 35.10 -ATOM 2459 C GLU D 365 10.074 26.944 -84.273 1.00 18.16 -ATOM 2460 O GLU D 365 8.904 27.008 -83.933 1.00 24.90 -ATOM 2461 CB GLU D 365 10.628 25.115 -85.949 1.00 28.10 -ATOM 2462 CG GLU D 365 9.303 25.454 -86.653 1.00 52.41 -ATOM 2463 CD GLU D 365 9.434 25.569 -88.188 1.00 62.80 -ATOM 2464 OE1 GLU D 365 10.542 25.331 -88.722 1.00 59.82 -ATOM 2465 OE2 GLU D 365 8.427 25.906 -88.861 1.00 33.59 -ATOM 0 H GLU D 365 9.272 24.328 -83.728 1.00 30.04 H new -ATOM 0 HA GLU D 365 11.824 25.717 -84.271 1.00 35.10 H new -ATOM 0 1HB GLU D 365 11.452 25.557 -86.528 1.00 28.10 H new -ATOM 0 2HB GLU D 365 10.766 24.024 -85.974 1.00 28.10 H new -ATOM 0 1HG GLU D 365 8.561 24.679 -86.413 1.00 52.41 H new -ATOM 0 2HG GLU D 365 8.917 26.403 -86.254 1.00 52.41 H new -ATOM 2466 N PHE D 366 10.827 28.021 -84.446 1.00 16.36 -ATOM 2467 CA PHE D 366 10.258 29.360 -84.439 1.00 18.13 -ATOM 2468 C PHE D 366 10.097 29.883 -85.861 1.00 20.35 -ATOM 2469 O PHE D 366 10.968 29.685 -86.697 1.00 15.47 -ATOM 2470 CB PHE D 366 11.136 30.316 -83.642 1.00 12.63 -ATOM 2471 CG PHE D 366 11.304 29.926 -82.206 1.00 17.93 -ATOM 2472 CD1 PHE D 366 10.219 29.897 -81.351 1.00 12.92 -ATOM 2473 CD2 PHE D 366 12.549 29.598 -81.706 1.00 20.68 -ATOM 2474 CE1 PHE D 366 10.368 29.543 -80.023 1.00 14.51 -ATOM 2475 CE2 PHE D 366 12.709 29.247 -80.375 1.00 16.77 -ATOM 2476 CZ PHE D 366 11.613 29.227 -79.529 1.00 13.87 -ATOM 0 H PHE D 366 11.816 27.993 -84.590 1.00 16.36 H new -ATOM 0 HA PHE D 366 9.268 29.302 -83.963 1.00 18.13 H new -ATOM 0 1HB PHE D 366 12.127 30.370 -84.116 1.00 12.63 H new -ATOM 0 2HB PHE D 366 10.701 31.325 -83.690 1.00 12.63 H new -ATOM 0 HD1 PHE D 366 9.221 30.160 -81.733 1.00 12.92 H new -ATOM 0 HD2 PHE D 366 13.424 29.616 -82.372 1.00 20.68 H new -ATOM 0 HE1 PHE D 366 9.490 29.514 -79.360 1.00 14.51 H new -ATOM 0 HE2 PHE D 366 13.706 28.985 -79.991 1.00 16.77 H new -ATOM 0 HZ PHE D 366 11.737 28.960 -78.469 1.00 13.87 H new -ATOM 2477 N GLN D 367 8.970 30.533 -86.135 1.00 18.36 -ATOM 2478 CA GLN D 367 8.813 31.281 -87.366 1.00 12.59 -ATOM 2479 C GLN D 367 8.809 32.752 -87.035 1.00 20.05 -ATOM 2480 O GLN D 367 8.322 33.176 -85.992 1.00 19.79 -ATOM 2481 CB GLN D 367 7.528 30.955 -88.115 1.00 12.74 -ATOM 2482 CG GLN D 367 7.262 29.505 -88.346 1.00 15.26 -ATOM 2483 CD GLN D 367 6.615 28.881 -87.163 1.00 28.05 -ATOM 2484 OE1 GLN D 367 7.107 27.884 -86.644 1.00 36.07 -ATOM 2485 NE2 GLN D 367 5.513 29.481 -86.693 1.00 28.19 -ATOM 0 H GLN D 367 8.173 30.553 -85.531 1.00 18.36 H new -ATOM 0 HA GLN D 367 9.651 31.002 -88.021 1.00 12.59 H new -ATOM 0 1HB GLN D 367 6.682 31.379 -87.555 1.00 12.74 H new -ATOM 0 2HB GLN D 367 7.555 31.463 -89.090 1.00 12.74 H new -ATOM 0 1HG GLN D 367 6.615 29.384 -89.227 1.00 15.26 H new -ATOM 0 2HG GLN D 367 8.207 28.987 -88.567 1.00 15.26 H new -ATOM 0 1HE2 GLN D 367 5.053 29.118 -85.883 1.00 28.19 H new -ATOM 0 2HE2 GLN D 367 5.151 30.292 -87.152 1.00 28.19 H new -ATOM 2486 N VAL D 368 9.350 33.539 -87.947 1.00 19.08 -ATOM 2487 CA VAL D 368 9.389 34.974 -87.772 1.00 15.07 -ATOM 2488 C VAL D 368 8.854 35.605 -89.043 1.00 14.65 -ATOM 2489 O VAL D 368 8.934 35.032 -90.124 1.00 17.77 -ATOM 2490 CB VAL D 368 10.827 35.431 -87.451 1.00 18.85 -ATOM 2491 CG1 VAL D 368 11.290 36.487 -88.400 1.00 21.66 -ATOM 2492 CG2 VAL D 368 10.953 35.863 -86.002 1.00 7.64 -ATOM 0 H VAL D 368 9.760 33.212 -88.799 1.00 19.08 H new -ATOM 0 HA VAL D 368 8.765 35.290 -86.923 1.00 15.07 H new -ATOM 0 HB VAL D 368 11.495 34.568 -87.589 1.00 18.85 H new -ATOM 0 1HG1 VAL D 368 12.316 36.788 -88.142 1.00 21.66 H new -ATOM 0 2HG1 VAL D 368 11.271 36.092 -89.426 1.00 21.66 H new -ATOM 0 3HG1 VAL D 368 10.624 37.360 -88.331 1.00 21.66 H new -ATOM 0 1HG2 VAL D 368 11.986 36.183 -85.803 1.00 7.64 H new -ATOM 0 2HG2 VAL D 368 10.267 36.700 -85.807 1.00 7.64 H new -ATOM 0 3HG2 VAL D 368 10.697 35.020 -85.344 1.00 7.64 H new -ATOM 2493 N THR D 369 8.274 36.777 -88.915 1.00 13.36 -ATOM 2494 CA THR D 369 7.793 37.499 -90.074 1.00 12.27 -ATOM 2495 C THR D 369 8.442 38.876 -90.021 1.00 15.04 -ATOM 2496 O THR D 369 8.634 39.404 -88.920 1.00 12.63 -ATOM 2497 CB THR D 369 6.273 37.569 -90.010 1.00 24.37 -ATOM 2498 OG1 THR D 369 5.720 36.608 -90.920 1.00 16.34 -ATOM 2499 CG2 THR D 369 5.782 38.955 -90.320 1.00 19.01 -ATOM 0 H THR D 369 8.127 37.241 -88.042 1.00 13.36 H new -ATOM 0 HA THR D 369 8.053 37.010 -91.025 1.00 12.27 H new -ATOM 0 HB THR D 369 5.942 37.330 -88.988 1.00 24.37 H new -ATOM 0 HG1 THR D 369 4.722 36.648 -90.881 1.00 16.34 H new -ATOM 0 1HG2 THR D 369 4.683 38.976 -90.267 1.00 19.01 H new -ATOM 0 2HG2 THR D 369 6.198 39.664 -89.589 1.00 19.01 H new -ATOM 0 3HG2 THR D 369 6.105 39.241 -91.332 1.00 19.01 H new -ATOM 2500 N LEU D 370 8.809 39.439 -91.178 1.00 17.97 -ATOM 2501 CA LEU D 370 9.647 40.655 -91.215 1.00 16.46 -ATOM 2502 C LEU D 370 9.038 41.820 -91.967 1.00 17.17 -ATOM 2503 O LEU D 370 8.264 41.637 -92.897 1.00 22.50 -ATOM 2504 CB LEU D 370 11.032 40.368 -91.816 1.00 17.24 -ATOM 2505 CG LEU D 370 11.789 39.143 -91.313 1.00 21.26 -ATOM 2506 CD1 LEU D 370 13.064 38.948 -92.124 1.00 19.49 -ATOM 2507 CD2 LEU D 370 12.104 39.269 -89.831 1.00 16.24 -ATOM 0 H LEU D 370 8.550 39.087 -92.078 1.00 17.97 H new -ATOM 0 HA LEU D 370 9.731 40.950 -90.159 1.00 16.46 H new -ATOM 0 1HB LEU D 370 10.913 40.267 -92.905 1.00 17.24 H new -ATOM 0 2HB LEU D 370 11.665 41.251 -91.642 1.00 17.24 H new -ATOM 0 HG LEU D 370 11.149 38.258 -91.445 1.00 21.26 H new -ATOM 0 1HD1 LEU D 370 13.603 38.063 -91.754 1.00 19.49 H new -ATOM 0 2HD1 LEU D 370 12.807 38.804 -93.184 1.00 19.49 H new -ATOM 0 3HD1 LEU D 370 13.705 39.836 -92.020 1.00 19.49 H new -ATOM 0 1HD2 LEU D 370 12.649 38.375 -89.494 1.00 16.24 H new -ATOM 0 2HD2 LEU D 370 12.725 40.161 -89.662 1.00 16.24 H new -ATOM 0 3HD2 LEU D 370 11.167 39.362 -89.263 1.00 16.24 H new -ATOM 2508 N ASP D 371 9.415 43.028 -91.566 1.00 18.88 -ATOM 2509 CA ASP D 371 8.988 44.224 -92.274 1.00 28.82 -ATOM 2510 C ASP D 371 9.947 44.498 -93.425 1.00 26.82 -ATOM 2511 O ASP D 371 10.965 45.152 -93.252 1.00 29.83 -ATOM 2512 CB ASP D 371 8.927 45.431 -91.324 1.00 35.43 -ATOM 2513 CG ASP D 371 8.472 46.707 -92.019 1.00 33.07 -ATOM 2514 OD1 ASP D 371 8.078 46.642 -93.202 1.00 27.04 -ATOM 2515 OD2 ASP D 371 8.500 47.777 -91.379 1.00 34.78 -ATOM 0 H ASP D 371 10.001 43.200 -90.774 1.00 18.88 H new -ATOM 0 HA ASP D 371 7.976 44.061 -92.674 1.00 28.82 H new -ATOM 0 1HB ASP D 371 8.240 45.205 -90.496 1.00 35.43 H new -ATOM 0 2HB ASP D 371 9.921 45.594 -90.882 1.00 35.43 H new -ATOM 2516 N ASN D 372 9.612 43.985 -94.598 1.00 21.83 -ATOM 2517 CA ASN D 372 10.453 44.143 -95.766 1.00 31.59 -ATOM 2518 C ASN D 372 9.844 45.154 -96.740 1.00 33.51 -ATOM 2519 O ASN D 372 9.988 45.018 -97.941 1.00 30.16 -ATOM 2520 CB ASN D 372 10.672 42.785 -96.444 1.00 26.38 -ATOM 2521 CG ASN D 372 9.398 42.214 -97.057 1.00 23.07 -ATOM 2522 OD1 ASN D 372 8.303 42.751 -96.887 1.00 20.78 -ATOM 2523 ND2 ASN D 372 9.545 41.114 -97.780 1.00 26.16 -ATOM 0 H ASN D 372 8.774 43.463 -94.760 1.00 21.83 H new -ATOM 0 HA ASN D 372 11.431 44.534 -95.448 1.00 31.59 H new -ATOM 0 1HB ASN D 372 11.434 42.892 -97.230 1.00 26.38 H new -ATOM 0 2HB ASN D 372 11.069 42.072 -95.706 1.00 26.38 H new -ATOM 0 1HD2 ASN D 372 8.749 40.689 -98.212 1.00 26.16 H new -ATOM 0 2HD2 ASN D 372 10.452 40.708 -97.894 1.00 26.16 H new -ATOM 2524 N LYS D 373 9.145 46.152 -96.204 1.00 35.66 -ATOM 2525 CA LYS D 373 8.552 47.229 -96.994 1.00 33.82 -ATOM 2526 C LYS D 373 9.565 47.889 -97.922 1.00 46.31 -ATOM 2527 O LYS D 373 9.245 48.281 -99.041 1.00 22.75 -ATOM 2528 CB LYS D 373 8.004 48.318 -96.068 1.00 36.22 -ATOM 2529 CG LYS D 373 6.492 48.387 -95.951 1.00 45.96 -ATOM 2530 CD LYS D 373 6.091 49.523 -95.020 1.00 58.01 -ATOM 2531 CE LYS D 373 6.647 49.296 -93.617 1.00 59.22 -ATOM 2532 NZ LYS D 373 6.990 50.557 -92.903 1.00 43.77 -ATOM 0 H LYS D 373 8.976 46.235 -95.222 1.00 35.66 H new -ATOM 0 HA LYS D 373 7.753 46.772 -97.596 1.00 33.82 H new -ATOM 0 1HB LYS D 373 8.424 48.163 -95.063 1.00 36.22 H new -ATOM 0 2HB LYS D 373 8.370 49.293 -96.423 1.00 36.22 H new -ATOM 0 1HG LYS D 373 6.046 48.541 -96.945 1.00 45.96 H new -ATOM 0 2HG LYS D 373 6.102 47.433 -95.568 1.00 45.96 H new -ATOM 0 1HD LYS D 373 6.464 50.478 -95.417 1.00 58.01 H new -ATOM 0 2HD LYS D 373 4.994 49.599 -94.977 1.00 58.01 H new -ATOM 0 1HE LYS D 373 5.908 48.738 -93.024 1.00 59.22 H new -ATOM 0 2HE LYS D 373 7.546 48.666 -93.685 1.00 59.22 H new -ATOM 0 1HZ LYS D 373 7.347 50.340 -91.995 1.00 43.77 H + new -ATOM 0 2HZ LYS D 373 7.683 51.057 -93.422 1.00 43.77 H + new -ATOM 0 3HZ LYS D 373 6.170 51.123 -92.812 1.00 43.77 H + new -ATOM 2533 N GLU D 374 10.788 48.033 -97.433 1.00 44.98 -ATOM 2534 CA GLU D 374 11.798 48.786 -98.143 1.00 45.07 -ATOM 2535 C GLU D 374 12.963 47.913 -98.604 1.00 56.37 -ATOM 2536 O GLU D 374 14.116 48.139 -98.239 1.00 68.56 -ATOM 2537 CB GLU D 374 12.284 49.945 -97.273 1.00 43.90 -ATOM 2538 CG GLU D 374 11.142 50.829 -96.779 1.00 69.27 -ATOM 2539 CD GLU D 374 11.599 51.953 -95.869 1.00 90.14 -ATOM 2540 OE1 GLU D 374 12.606 52.620 -96.200 1.00103.31 -ATOM 2541 OE2 GLU D 374 10.940 52.175 -94.828 1.00 83.36 -ATOM 0 H GLU D 374 11.094 47.644 -96.564 1.00 44.98 H new -ATOM 0 HA GLU D 374 11.337 49.189 -99.057 1.00 45.07 H new -ATOM 0 1HB GLU D 374 12.832 49.544 -96.408 1.00 43.90 H new -ATOM 0 2HB GLU D 374 12.994 50.557 -97.848 1.00 43.90 H new -ATOM 0 1HG GLU D 374 10.620 51.259 -97.646 1.00 69.27 H new -ATOM 0 2HG GLU D 374 10.412 50.206 -96.241 1.00 69.27 H new -ATOM 2542 N SER D 375 12.658 46.906 -99.405 1.00 40.63 -ATOM 2543 CA SER D 375 13.708 46.173-100.084 1.00 60.57 -ATOM 2544 C SER D 375 13.897 46.829-101.438 1.00 68.45 -ATOM 2545 O SER D 375 13.269 47.845-101.731 1.00 63.33 -ATOM 2546 CB SER D 375 13.337 44.698-100.237 1.00 57.29 -ATOM 2547 OG SER D 375 11.946 44.550-100.441 1.00 54.31 -ATOM 0 H SER D 375 11.728 46.589 -99.594 1.00 40.63 H new -ATOM 0 HA SER D 375 14.641 46.202 -99.503 1.00 60.57 H new -ATOM 0 1HB SER D 375 13.642 44.143 -99.338 1.00 57.29 H new -ATOM 0 2HB SER D 375 13.886 44.263-101.085 1.00 57.29 H new -ATOM 0 HG SER D 375 11.472 44.609 -99.563 1.00 54.31 H new -ATOM 2548 N SER D 376 14.763 46.262-102.264 1.00 62.46 -ATOM 2549 CA SER D 376 14.991 46.833-103.581 1.00 61.13 -ATOM 2550 C SER D 376 15.144 45.749-104.634 1.00 60.26 -ATOM 2551 O SER D 376 15.819 44.742-104.422 1.00 66.31 -ATOM 2552 CB SER D 376 16.201 47.769-103.568 1.00 50.73 -ATOM 2553 OG SER D 376 17.186 47.312-102.659 1.00 75.21 -ATOM 0 H SER D 376 15.297 45.443-102.057 1.00 62.46 H new -ATOM 0 HA SER D 376 14.106 47.429-103.848 1.00 61.13 H new -ATOM 0 1HB SER D 376 15.882 48.784-103.289 1.00 50.73 H new -ATOM 0 2HB SER D 376 16.631 47.833-104.579 1.00 50.73 H new -ATOM 0 HG SER D 376 17.966 47.938-102.670 1.00 75.21 H new -ATOM 2554 N GLY D 377 14.502 45.964-105.773 1.00 63.19 -ATOM 2555 CA GLY D 377 14.500 44.978-106.829 1.00 50.67 -ATOM 2556 C GLY D 377 13.526 43.877-106.484 1.00 56.89 -ATOM 2557 O GLY D 377 12.316 44.112-106.385 1.00 55.77 -ATOM 0 H GLY D 377 13.988 46.797-105.980 1.00 63.19 H new -ATOM 0 1HA GLY D 377 14.219 45.447-107.784 1.00 50.67 H new -ATOM 0 2HA GLY D 377 15.510 44.562-106.960 1.00 50.67 H new -ATOM 2558 N VAL D 378 14.045 42.672-106.288 1.00 38.08 -ATOM 2559 CA VAL D 378 13.173 41.566-105.934 1.00 51.55 -ATOM 2560 C VAL D 378 12.949 41.501-104.428 1.00 45.53 -ATOM 2561 O VAL D 378 13.897 41.319-103.663 1.00 41.56 -ATOM 2562 CB VAL D 378 13.721 40.234-106.423 1.00 44.84 -ATOM 2563 CG1 VAL D 378 12.855 39.108-105.881 1.00 37.72 -ATOM 2564 CG2 VAL D 378 13.761 40.220-107.942 1.00 40.41 -ATOM 0 H VAL D 378 15.016 42.446-106.364 1.00 38.08 H new -ATOM 0 HA VAL D 378 12.211 41.751-106.434 1.00 51.55 H new -ATOM 0 HB VAL D 378 14.748 40.091-106.057 1.00 44.84 H new -ATOM 0 1HG1 VAL D 378 13.247 38.142-106.232 1.00 37.72 H new -ATOM 0 2HG1 VAL D 378 12.868 39.131-104.781 1.00 37.72 H new -ATOM 0 3HG1 VAL D 378 11.822 39.235-106.237 1.00 37.72 H new -ATOM 0 1HG2 VAL D 378 14.158 39.255-108.290 1.00 40.41 H new -ATOM 0 2HG2 VAL D 378 12.744 40.362-108.337 1.00 40.41 H new -ATOM 0 3HG2 VAL D 378 14.410 41.033-108.300 1.00 40.41 H new -ATOM 2565 N GLN D 379 11.691 41.657-104.019 1.00 54.03 -ATOM 2566 CA GLN D 379 11.306 41.663-102.604 1.00 35.38 -ATOM 2567 C GLN D 379 11.460 40.285-101.976 1.00 29.42 -ATOM 2568 O GLN D 379 10.804 39.325-102.381 1.00 34.46 -ATOM 2569 CB GLN D 379 9.859 42.142-102.448 1.00 32.53 -ATOM 2570 CG GLN D 379 9.494 42.617-101.047 1.00 27.69 -ATOM 2571 CD GLN D 379 8.110 43.227-100.995 1.00 38.84 -ATOM 2572 OE1 GLN D 379 7.458 43.398-102.029 1.00 33.39 -ATOM 2573 NE2 GLN D 379 7.644 43.550 -99.787 1.00 36.80 -ATOM 0 H GLN D 379 10.922 41.781-104.646 1.00 54.03 H new -ATOM 0 HA GLN D 379 11.981 42.356-102.081 1.00 35.38 H new -ATOM 0 1HB GLN D 379 9.681 42.964-103.157 1.00 32.53 H new -ATOM 0 2HB GLN D 379 9.183 41.321-102.730 1.00 32.53 H new -ATOM 0 1HG GLN D 379 9.546 41.769-100.349 1.00 27.69 H new -ATOM 0 2HG GLN D 379 10.233 43.358-100.708 1.00 27.69 H new -ATOM 0 1HE2 GLN D 379 6.732 43.948 -99.693 1.00 36.80 H new -ATOM 0 2HE2 GLN D 379 8.207 43.394 -98.976 1.00 36.80 H new -ATOM 2574 N LYS D 380 12.323 40.189-100.975 1.00 23.80 -ATOM 2575 CA LYS D 380 12.653 38.891-100.398 1.00 35.41 -ATOM 2576 C LYS D 380 12.472 38.926 -98.865 1.00 28.25 -ATOM 2577 O LYS D 380 12.033 39.924 -98.315 1.00 15.36 -ATOM 2578 CB LYS D 380 14.095 38.540-100.784 1.00 29.80 -ATOM 2579 CG LYS D 380 14.479 37.087-100.627 1.00 55.10 -ATOM 2580 CD LYS D 380 15.923 36.977-100.162 1.00 53.41 -ATOM 2581 CE LYS D 380 16.786 38.023-100.844 1.00 51.78 -ATOM 2582 NZ LYS D 380 18.130 38.136-100.206 1.00 64.04 -ATOM 0 H LYS D 380 12.793 40.966-100.557 1.00 23.80 H new -ATOM 0 HA LYS D 380 11.977 38.116-100.789 1.00 35.41 H new -ATOM 0 1HB LYS D 380 14.256 38.832-101.832 1.00 29.80 H new -ATOM 0 2HB LYS D 380 14.777 39.149-100.173 1.00 29.80 H new -ATOM 0 1HG LYS D 380 13.813 36.599 -99.900 1.00 55.10 H new -ATOM 0 2HG LYS D 380 14.352 36.560-101.584 1.00 55.10 H new -ATOM 0 1HD LYS D 380 15.974 37.107 -99.071 1.00 53.41 H new -ATOM 0 2HD LYS D 380 16.310 35.972-100.385 1.00 53.41 H new -ATOM 0 1HE LYS D 380 16.905 37.764-101.906 1.00 51.78 H new -ATOM 0 2HE LYS D 380 16.279 38.998-100.806 1.00 51.78 H new -ATOM 0 1HZ LYS D 380 18.668 38.833-100.681 1.00 64.04 H + new -ATOM 0 2HZ LYS D 380 18.023 38.395 -99.246 1.00 64.04 H + new -ATOM 0 3HZ LYS D 380 18.601 37.256-100.262 1.00 64.04 H + new -ATOM 2583 N ASN D 381 12.803 37.842 -98.180 1.00 20.10 -ATOM 2584 CA ASN D 381 12.838 37.850 -96.724 1.00 24.30 -ATOM 2585 C ASN D 381 11.520 38.212 -96.020 1.00 19.95 -ATOM 2586 O ASN D 381 11.538 38.986 -95.066 1.00 16.74 -ATOM 2587 CB ASN D 381 13.910 38.825 -96.244 1.00 25.79 -ATOM 2588 CG ASN D 381 15.314 38.360 -96.550 1.00 27.86 -ATOM 2589 OD1 ASN D 381 15.576 37.172 -96.687 1.00 30.64 -ATOM 2590 ND2 ASN D 381 16.234 39.306 -96.638 1.00 30.81 -ATOM 0 H ASN D 381 13.046 36.966 -98.597 1.00 20.10 H new -ATOM 0 HA ASN D 381 13.053 36.806 -96.451 1.00 24.30 H new -ATOM 0 1HB ASN D 381 13.744 39.805 -96.716 1.00 25.79 H new -ATOM 0 2HB ASN D 381 13.806 38.969 -95.158 1.00 25.79 H new -ATOM 0 1HD2 ASN D 381 17.186 39.062 -96.823 1.00 30.81 H new -ATOM 0 2HD2 ASN D 381 15.978 40.265 -96.520 1.00 30.81 H new -ATOM 2591 N PHE D 382 10.393 37.684 -96.496 1.00 16.83 -ATOM 2592 CA PHE D 382 9.094 37.948 -95.874 1.00 19.93 -ATOM 2593 C PHE D 382 8.963 37.234 -94.539 1.00 22.60 -ATOM 2594 O PHE D 382 8.283 37.707 -93.645 1.00 16.28 -ATOM 2595 CB PHE D 382 7.942 37.474 -96.751 1.00 8.14 -ATOM 2596 CG PHE D 382 7.729 38.294 -97.967 1.00 25.67 -ATOM 2597 CD1 PHE D 382 8.347 37.948 -99.165 1.00 31.91 -ATOM 2598 CD2 PHE D 382 6.903 39.400 -97.937 1.00 20.72 -ATOM 2599 CE1 PHE D 382 8.147 38.691-100.290 1.00 17.77 -ATOM 2600 CE2 PHE D 382 6.702 40.152 -99.072 1.00 25.25 -ATOM 2601 CZ PHE D 382 7.324 39.797-100.248 1.00 28.21 -ATOM 0 H PHE D 382 10.353 37.083 -97.294 1.00 16.83 H new -ATOM 0 HA PHE D 382 9.043 39.038 -95.736 1.00 19.93 H new -ATOM 0 1HB PHE D 382 8.129 36.433 -97.052 1.00 8.14 H new -ATOM 0 2HB PHE D 382 7.017 37.475 -96.155 1.00 8.14 H new -ATOM 0 HD1 PHE D 382 9.003 37.066 -99.204 1.00 31.91 H new -ATOM 0 HD2 PHE D 382 6.402 39.682 -96.999 1.00 20.72 H new -ATOM 0 HE1 PHE D 382 8.642 38.409-101.231 1.00 17.77 H new -ATOM 0 HE2 PHE D 382 6.046 41.034 -99.040 1.00 25.25 H new -ATOM 0 HZ PHE D 382 7.164 40.397-101.156 1.00 28.21 H new -ATOM 2602 N ALA D 383 9.611 36.082 -94.424 1.00 19.80 -ATOM 2603 CA ALA D 383 9.521 35.259 -93.230 1.00 15.01 -ATOM 2604 C ALA D 383 10.775 34.405 -93.076 1.00 15.94 -ATOM 2605 O ALA D 383 11.524 34.210 -94.030 1.00 26.65 -ATOM 2606 CB ALA D 383 8.318 34.390 -93.311 1.00 12.81 -ATOM 0 H ALA D 383 10.199 35.703 -95.139 1.00 19.80 H new -ATOM 0 HA ALA D 383 9.436 35.915 -92.351 1.00 15.01 H new -ATOM 0 1HB ALA D 383 8.253 33.768 -92.406 1.00 12.81 H new -ATOM 0 2HB ALA D 383 7.417 35.016 -93.391 1.00 12.81 H new -ATOM 0 3HB ALA D 383 8.393 33.741 -94.196 1.00 12.81 H new -ATOM 2607 N LYS D 384 11.014 33.917 -91.868 1.00 12.47 -ATOM 2608 CA LYS D 384 12.103 32.977 -91.624 1.00 13.26 -ATOM 2609 C LYS D 384 11.640 31.794 -90.766 1.00 22.02 -ATOM 2610 O LYS D 384 10.870 31.953 -89.804 1.00 14.36 -ATOM 2611 CB LYS D 384 13.296 33.666 -90.954 1.00 9.70 -ATOM 2612 CG LYS D 384 13.921 34.796 -91.746 1.00 12.87 -ATOM 2613 CD LYS D 384 14.561 34.312 -93.034 1.00 17.50 -ATOM 2614 CE LYS D 384 15.345 35.456 -93.715 1.00 18.88 -ATOM 2615 NZ LYS D 384 15.991 35.014 -94.988 1.00 26.25 -ATOM 0 H LYS D 384 10.480 34.151 -91.056 1.00 12.47 H new -ATOM 0 HA LYS D 384 12.422 32.596 -92.605 1.00 13.26 H new -ATOM 0 1HB LYS D 384 12.971 34.060 -89.980 1.00 9.70 H new -ATOM 0 2HB LYS D 384 14.069 32.910 -90.753 1.00 9.70 H new -ATOM 0 1HG LYS D 384 13.151 35.546 -91.981 1.00 12.87 H new -ATOM 0 2HG LYS D 384 14.680 35.298 -91.128 1.00 12.87 H new -ATOM 0 1HD LYS D 384 15.238 33.472 -92.821 1.00 17.50 H new -ATOM 0 2HD LYS D 384 13.785 33.934 -93.716 1.00 17.50 H new -ATOM 0 1HE LYS D 384 14.663 36.293 -93.923 1.00 18.88 H new -ATOM 0 2HE LYS D 384 16.115 35.832 -93.026 1.00 18.88 H new -ATOM 0 1HZ LYS D 384 15.935 35.749 -95.663 1.00 26.25 H + new -ATOM 0 2HZ LYS D 384 16.951 34.792 -94.816 1.00 26.25 H + new -ATOM 0 3HZ LYS D 384 15.520 34.204 -95.338 1.00 26.25 H + new -ATOM 2616 N PHE D 385 12.118 30.607 -91.108 1.00 17.97 -ATOM 2617 CA PHE D 385 11.854 29.435 -90.283 1.00 14.52 -ATOM 2618 C PHE D 385 13.144 29.049 -89.576 1.00 20.31 -ATOM 2619 O PHE D 385 14.158 28.782 -90.212 1.00 18.88 -ATOM 2620 CB PHE D 385 11.291 28.300 -91.133 1.00 12.22 -ATOM 2621 CG PHE D 385 10.052 28.686 -91.888 1.00 19.64 -ATOM 2622 CD1 PHE D 385 10.133 29.493 -93.007 1.00 24.47 -ATOM 2623 CD2 PHE D 385 8.804 28.279 -91.460 1.00 14.47 -ATOM 2624 CE1 PHE D 385 8.994 29.877 -93.687 1.00 17.59 -ATOM 2625 CE2 PHE D 385 7.668 28.650 -92.143 1.00 14.54 -ATOM 2626 CZ PHE D 385 7.763 29.447 -93.261 1.00 20.36 -ATOM 0 H PHE D 385 12.672 30.433 -91.922 1.00 17.97 H new -ATOM 0 HA PHE D 385 11.091 29.659 -89.523 1.00 14.52 H new -ATOM 0 1HB PHE D 385 12.060 27.969 -91.847 1.00 12.22 H new -ATOM 0 2HB PHE D 385 11.064 27.442 -90.484 1.00 12.22 H new -ATOM 0 HD1 PHE D 385 11.117 29.834 -93.361 1.00 24.47 H new -ATOM 0 HD2 PHE D 385 8.716 27.650 -90.562 1.00 14.47 H new -ATOM 0 HE1 PHE D 385 9.074 30.528 -94.570 1.00 17.59 H new -ATOM 0 HE2 PHE D 385 6.682 28.309 -91.794 1.00 14.54 H new -ATOM 0 HZ PHE D 385 6.856 29.738 -93.811 1.00 20.36 H new -ATOM 2627 N ILE D 386 13.118 29.095 -88.250 1.00 20.37 -ATOM 2628 CA ILE D 386 14.291 28.795 -87.445 1.00 18.16 -ATOM 2629 C ILE D 386 14.106 27.431 -86.806 1.00 31.73 -ATOM 2630 O ILE D 386 13.080 27.162 -86.183 1.00 29.33 -ATOM 2631 CB ILE D 386 14.493 29.824 -86.322 1.00 22.50 -ATOM 2632 CG1 ILE D 386 14.884 31.195 -86.893 1.00 22.55 -ATOM 2633 CG2 ILE D 386 15.553 29.338 -85.360 1.00 30.25 -ATOM 2634 CD1 ILE D 386 13.718 32.156 -87.062 1.00 23.04 -ATOM 0 H ILE D 386 12.306 29.335 -87.718 1.00 20.37 H new -ATOM 0 HA ILE D 386 15.171 28.820 -88.105 1.00 18.16 H new -ATOM 0 HB ILE D 386 13.541 29.938 -85.783 1.00 22.50 H new -ATOM 0 1HG1 ILE D 386 15.631 31.656 -86.230 1.00 22.55 H new -ATOM 0 2HG1 ILE D 386 15.368 31.048 -87.870 1.00 22.55 H new -ATOM 0 1HG2 ILE D 386 15.691 30.080 -84.560 1.00 30.25 H new -ATOM 0 2HG2 ILE D 386 15.238 28.380 -84.920 1.00 30.25 H new -ATOM 0 3HG2 ILE D 386 16.502 29.200 -85.899 1.00 30.25 H new -ATOM 0 1HD1 ILE D 386 14.084 33.108 -87.474 1.00 23.04 H new -ATOM 0 2HD1 ILE D 386 12.979 31.719 -87.750 1.00 23.04 H new -ATOM 0 3HD1 ILE D 386 13.246 32.337 -86.085 1.00 23.04 H new -ATOM 2635 N GLU D 387 15.092 26.563 -86.964 1.00 22.76 -ATOM 2636 CA GLU D 387 14.995 25.224 -86.419 1.00 21.16 -ATOM 2637 C GLU D 387 16.149 24.966 -85.472 1.00 22.87 -ATOM 2638 O GLU D 387 17.200 25.596 -85.578 1.00 24.05 -ATOM 2639 CB GLU D 387 14.960 24.194 -87.542 1.00 34.90 -ATOM 2640 CG GLU D 387 13.617 24.113 -88.256 1.00 47.66 -ATOM 2641 CD GLU D 387 13.719 23.413 -89.602 1.00 60.45 -ATOM 2642 OE1 GLU D 387 14.835 23.369 -90.155 1.00 46.03 -ATOM 2643 OE2 GLU D 387 12.690 22.911 -90.107 1.00 69.82 -ATOM 0 H GLU D 387 15.943 26.757 -87.451 1.00 22.76 H new -ATOM 0 HA GLU D 387 14.057 25.133 -85.851 1.00 21.16 H new -ATOM 0 1HB GLU D 387 15.742 24.439 -88.276 1.00 34.90 H new -ATOM 0 2HB GLU D 387 15.206 23.205 -87.128 1.00 34.90 H new -ATOM 0 1HG GLU D 387 12.898 23.576 -87.620 1.00 47.66 H new -ATOM 0 2HG GLU D 387 13.221 25.129 -88.403 1.00 47.66 H new -ATOM 2644 N TYR D 388 15.946 24.064 -84.519 1.00 18.39 -ATOM 2645 CA TYR D 388 17.008 23.732 -83.583 1.00 26.46 -ATOM 2646 C TYR D 388 17.875 22.585 -84.112 1.00 21.84 -ATOM 2647 O TYR D 388 17.366 21.571 -84.581 1.00 16.98 -ATOM 2648 CB TYR D 388 16.454 23.417 -82.192 1.00 25.10 -ATOM 2649 CG TYR D 388 17.532 23.327 -81.141 1.00 20.95 -ATOM 2650 CD1 TYR D 388 18.279 24.431 -80.811 1.00 26.28 -ATOM 2651 CD2 TYR D 388 17.821 22.131 -80.502 1.00 28.56 -ATOM 2652 CE1 TYR D 388 19.275 24.366 -79.867 1.00 32.24 -ATOM 2653 CE2 TYR D 388 18.821 22.056 -79.549 1.00 27.82 -ATOM 2654 CZ TYR D 388 19.543 23.181 -79.241 1.00 29.11 -ATOM 2655 OH TYR D 388 20.541 23.137 -78.303 1.00 26.49 -ATOM 0 H TYR D 388 15.089 23.568 -84.379 1.00 18.39 H new -ATOM 0 HA TYR D 388 17.651 24.619 -83.485 1.00 26.46 H new -ATOM 0 1HB TYR D 388 15.732 24.196 -81.905 1.00 25.10 H new -ATOM 0 2HB TYR D 388 15.903 22.466 -82.228 1.00 25.10 H new -ATOM 0 HD1 TYR D 388 18.075 25.388 -81.313 1.00 26.28 H new -ATOM 0 HD2 TYR D 388 17.247 21.228 -80.757 1.00 28.56 H new -ATOM 0 HE1 TYR D 388 19.856 25.266 -79.616 1.00 32.24 H new -ATOM 0 HE2 TYR D 388 19.035 21.103 -79.043 1.00 27.82 H new -ATOM 0 HH TYR D 388 20.916 22.211 -78.258 1.00 26.49 H new -ATOM 2656 N ASN D 389 19.188 22.774 -84.040 1.00 23.06 -ATOM 2657 CA ASN D 389 20.156 21.828 -84.575 1.00 21.79 -ATOM 2658 C ASN D 389 20.816 21.123 -83.411 1.00 26.95 -ATOM 2659 O ASN D 389 21.623 21.717 -82.700 1.00 23.28 -ATOM 2660 CB ASN D 389 21.191 22.564 -85.436 1.00 27.88 -ATOM 2661 CG ASN D 389 22.108 21.622 -86.201 1.00 41.82 -ATOM 2662 OD1 ASN D 389 22.835 20.829 -85.611 1.00 22.48 -ATOM 2663 ND2 ASN D 389 22.091 21.725 -87.527 1.00 33.17 -ATOM 0 H ASN D 389 19.603 23.578 -83.614 1.00 23.06 H new -ATOM 0 HA ASN D 389 19.658 21.087 -85.218 1.00 21.79 H new -ATOM 0 1HB ASN D 389 20.668 23.217 -86.150 1.00 27.88 H new -ATOM 0 2HB ASN D 389 21.799 23.215 -84.791 1.00 27.88 H new -ATOM 0 1HD2 ASN D 389 22.686 21.143 -88.081 1.00 33.17 H new -ATOM 0 2HD2 ASN D 389 21.483 22.385 -87.970 1.00 33.17 H new -ATOM 2664 N LEU D 390 20.443 19.864 -83.198 1.00 25.41 -ATOM 2665 CA LEU D 390 20.887 19.121 -82.022 1.00 33.22 -ATOM 2666 C LEU D 390 22.391 18.947 -82.043 1.00 40.95 -ATOM 2667 O LEU D 390 23.050 18.981 -81.002 1.00 34.07 -ATOM 2668 CB LEU D 390 20.220 17.754 -81.973 1.00 25.22 -ATOM 2669 CG LEU D 390 18.705 17.805 -81.989 1.00 43.04 -ATOM 2670 CD1 LEU D 390 18.136 16.455 -82.394 1.00 41.13 -ATOM 2671 CD2 LEU D 390 18.206 18.247 -80.621 1.00 37.62 -ATOM 0 H LEU D 390 19.846 19.347 -83.812 1.00 25.41 H new -ATOM 0 HA LEU D 390 20.602 19.694 -81.128 1.00 33.22 H new -ATOM 0 1HB LEU D 390 20.565 17.158 -82.831 1.00 25.22 H new -ATOM 0 2HB LEU D 390 20.549 17.230 -81.064 1.00 25.22 H new -ATOM 0 HG LEU D 390 18.361 18.537 -82.734 1.00 43.04 H new -ATOM 0 1HD1 LEU D 390 17.037 16.507 -82.401 1.00 41.13 H new -ATOM 0 2HD1 LEU D 390 18.497 16.191 -83.399 1.00 41.13 H new -ATOM 0 3HD1 LEU D 390 18.462 15.689 -81.675 1.00 41.13 H new -ATOM 0 1HD2 LEU D 390 17.107 18.286 -80.626 1.00 37.62 H new -ATOM 0 2HD2 LEU D 390 18.543 17.530 -79.858 1.00 37.62 H new -ATOM 0 3HD2 LEU D 390 18.607 19.245 -80.389 1.00 37.62 H new -ATOM 2672 N ASN D 391 22.921 18.748 -83.246 1.00 37.72 -ATOM 2673 CA ASN D 391 24.351 18.599 -83.445 1.00 46.14 -ATOM 2674 C ASN D 391 25.087 19.840 -82.963 1.00 41.15 -ATOM 2675 O ASN D 391 25.993 19.760 -82.143 1.00 43.86 -ATOM 2676 CB ASN D 391 24.650 18.339 -84.922 1.00 54.06 -ATOM 2677 CG ASN D 391 26.071 17.882 -85.155 1.00 74.91 -ATOM 2678 OD1 ASN D 391 26.640 17.153 -84.340 1.00 67.97 -ATOM 2679 ND2 ASN D 391 26.656 18.305 -86.275 1.00 93.69 -ATOM 0 H ASN D 391 22.382 18.688 -84.086 1.00 37.72 H new -ATOM 0 HA ASN D 391 24.703 17.739 -82.857 1.00 46.14 H new -ATOM 0 1HB ASN D 391 23.956 17.576 -85.304 1.00 54.06 H new -ATOM 0 2HB ASN D 391 24.465 19.258 -85.497 1.00 54.06 H new -ATOM 0 1HD2 ASN D 391 27.595 18.032 -86.483 1.00 93.69 H new -ATOM 0 2HD2 ASN D 391 26.156 18.896 -86.908 1.00 93.69 H new -ATOM 2680 N GLU D 392 24.663 20.994 -83.454 1.00 33.51 -ATOM 2681 CA GLU D 392 25.329 22.246 -83.138 1.00 39.59 -ATOM 2682 C GLU D 392 24.866 22.873 -81.827 1.00 39.34 -ATOM 2683 O GLU D 392 25.456 23.843 -81.364 1.00 32.19 -ATOM 2684 CB GLU D 392 25.152 23.219 -84.295 1.00 34.47 -ATOM 2685 CG GLU D 392 25.700 22.650 -85.589 1.00 65.88 -ATOM 2686 CD GLU D 392 25.236 23.403 -86.809 1.00 80.74 -ATOM 2687 OE1 GLU D 392 24.615 24.472 -86.641 1.00 92.70 -ATOM 2688 OE2 GLU D 392 25.493 22.923 -87.934 1.00 79.48 -ATOM 0 H GLU D 392 23.875 21.087 -84.062 1.00 33.51 H new -ATOM 0 HA GLU D 392 26.395 22.017 -82.995 1.00 39.59 H new -ATOM 0 1HB GLU D 392 24.084 23.453 -84.419 1.00 34.47 H new -ATOM 0 2HB GLU D 392 25.664 24.164 -84.063 1.00 34.47 H new -ATOM 0 1HG GLU D 392 26.799 22.665 -85.553 1.00 65.88 H new -ATOM 0 2HG GLU D 392 25.395 21.597 -85.678 1.00 65.88 H new -ATOM 2689 N ASN D 393 23.827 22.305 -81.225 1.00 29.30 -ATOM 2690 CA ASN D 393 23.288 22.840 -79.988 1.00 41.56 -ATOM 2691 C ASN D 393 22.946 24.317 -80.155 1.00 40.72 -ATOM 2692 O ASN D 393 23.346 25.164 -79.355 1.00 37.18 -ATOM 2693 CB ASN D 393 24.289 22.647 -78.849 1.00 50.58 -ATOM 2694 CG ASN D 393 23.610 22.384 -77.513 1.00 77.80 -ATOM 2695 OD1 ASN D 393 22.614 21.659 -77.439 1.00 62.08 -ATOM 2696 ND2 ASN D 393 24.156 22.966 -76.448 1.00 92.86 -ATOM 0 H ASN D 393 23.354 21.493 -81.568 1.00 29.30 H new -ATOM 0 HA ASN D 393 22.365 22.295 -79.739 1.00 41.56 H new -ATOM 0 1HB ASN D 393 24.955 21.805 -79.090 1.00 50.58 H new -ATOM 0 2HB ASN D 393 24.921 23.544 -78.765 1.00 50.58 H new -ATOM 0 1HD2 ASN D 393 23.759 22.823 -75.541 1.00 92.86 H new -ATOM 0 2HD2 ASN D 393 24.964 23.546 -76.554 1.00 92.86 H new -ATOM 2697 N SER D 394 22.209 24.623 -81.212 1.00 30.47 -ATOM 2698 CA SER D 394 21.963 26.006 -81.563 1.00 30.73 -ATOM 2699 C SER D 394 20.800 26.147 -82.544 1.00 24.55 -ATOM 2700 O SER D 394 20.453 25.208 -83.237 1.00 21.30 -ATOM 2701 CB SER D 394 23.242 26.601 -82.153 1.00 26.44 -ATOM 2702 OG SER D 394 23.061 27.951 -82.527 1.00 49.44 -ATOM 0 H SER D 394 21.785 23.952 -81.821 1.00 30.47 H new -ATOM 0 HA SER D 394 21.679 26.555 -80.653 1.00 30.73 H new -ATOM 0 1HB SER D 394 23.550 26.014 -83.031 1.00 26.44 H new -ATOM 0 2HB SER D 394 24.055 26.529 -81.416 1.00 26.44 H new -ATOM 0 HG SER D 394 22.401 28.382 -81.912 1.00 49.44 H new -ATOM 2703 N PHE D 395 20.194 27.325 -82.594 1.00 24.89 -ATOM 2704 CA PHE D 395 19.109 27.582 -83.533 1.00 31.37 -ATOM 2705 C PHE D 395 19.660 28.158 -84.848 1.00 27.16 -ATOM 2706 O PHE D 395 20.583 28.983 -84.861 1.00 14.03 -ATOM 2707 CB PHE D 395 18.071 28.539 -82.924 1.00 30.67 -ATOM 2708 CG PHE D 395 17.096 27.881 -81.983 1.00 25.12 -ATOM 2709 CD1 PHE D 395 17.277 27.955 -80.609 1.00 27.35 -ATOM 2710 CD2 PHE D 395 15.992 27.206 -82.472 1.00 20.02 -ATOM 2711 CE1 PHE D 395 16.373 27.364 -79.737 1.00 17.17 -ATOM 2712 CE2 PHE D 395 15.090 26.617 -81.613 1.00 23.43 -ATOM 2713 CZ PHE D 395 15.280 26.696 -80.242 1.00 21.06 -ATOM 0 H PHE D 395 20.429 28.101 -82.009 1.00 24.89 H new -ATOM 0 HA PHE D 395 18.611 26.625 -83.749 1.00 31.37 H new -ATOM 0 1HB PHE D 395 18.600 29.339 -82.385 1.00 30.67 H new -ATOM 0 2HB PHE D 395 17.509 29.018 -83.739 1.00 30.67 H new -ATOM 0 HD1 PHE D 395 18.149 28.490 -80.205 1.00 27.35 H new -ATOM 0 HD2 PHE D 395 15.833 27.139 -83.558 1.00 20.02 H new -ATOM 0 HE1 PHE D 395 16.529 27.429 -78.650 1.00 17.17 H new -ATOM 0 HE2 PHE D 395 14.217 26.083 -82.016 1.00 23.43 H new -ATOM 0 HZ PHE D 395 14.558 26.225 -79.558 1.00 21.06 H new -ATOM 2714 N VAL D 396 19.094 27.715 -85.960 1.00 24.33 -ATOM 2715 CA VAL D 396 19.600 28.115 -87.265 1.00 23.54 -ATOM 2716 C VAL D 396 18.465 28.327 -88.253 1.00 18.18 -ATOM 2717 O VAL D 396 17.509 27.571 -88.284 1.00 21.60 -ATOM 2718 CB VAL D 396 20.581 27.071 -87.843 1.00 26.85 -ATOM 2719 CG1 VAL D 396 21.578 26.622 -86.790 1.00 22.59 -ATOM 2720 CG2 VAL D 396 19.833 25.887 -88.370 1.00 21.87 -ATOM 0 H VAL D 396 18.308 27.097 -85.986 1.00 24.33 H new -ATOM 0 HA VAL D 396 20.137 29.063 -87.116 1.00 23.54 H new -ATOM 0 HB VAL D 396 21.132 27.545 -88.668 1.00 26.85 H new -ATOM 0 1HG1 VAL D 396 22.264 25.880 -87.226 1.00 22.59 H new -ATOM 0 2HG1 VAL D 396 22.154 27.490 -86.436 1.00 22.59 H new -ATOM 0 3HG1 VAL D 396 21.040 26.170 -85.944 1.00 22.59 H new -ATOM 0 1HG2 VAL D 396 20.545 25.154 -88.777 1.00 21.87 H new -ATOM 0 2HG2 VAL D 396 19.257 25.424 -87.555 1.00 21.87 H new -ATOM 0 3HG2 VAL D 396 19.146 26.211 -89.166 1.00 21.87 H new -ATOM 2721 N VAL D 397 18.565 29.371 -89.060 1.00 17.23 -ATOM 2722 CA VAL D 397 17.553 29.612 -90.069 1.00 23.35 -ATOM 2723 C VAL D 397 17.575 28.503 -91.115 1.00 29.09 -ATOM 2724 O VAL D 397 18.629 28.020 -91.508 1.00 22.31 -ATOM 2725 CB VAL D 397 17.759 30.980 -90.758 1.00 20.43 -ATOM 2726 CG1 VAL D 397 16.642 31.245 -91.762 1.00 18.24 -ATOM 2727 CG2 VAL D 397 17.817 32.080 -89.717 1.00 13.51 -ATOM 0 H VAL D 397 19.308 30.039 -89.037 1.00 17.23 H new -ATOM 0 HA VAL D 397 16.575 29.622 -89.565 1.00 23.35 H new -ATOM 0 HB VAL D 397 18.713 30.963 -91.305 1.00 20.43 H new -ATOM 0 1HG1 VAL D 397 16.804 32.221 -92.242 1.00 18.24 H new -ATOM 0 2HG1 VAL D 397 16.642 30.456 -92.528 1.00 18.24 H new -ATOM 0 3HG1 VAL D 397 15.673 31.250 -91.241 1.00 18.24 H new -ATOM 0 1HG2 VAL D 397 17.964 33.050 -90.215 1.00 13.51 H new -ATOM 0 2HG2 VAL D 397 16.875 32.099 -89.150 1.00 13.51 H new -ATOM 0 3HG2 VAL D 397 18.655 31.891 -89.030 1.00 13.51 H new -ATOM 2728 N ASN D 398 16.395 28.087 -91.542 1.00 36.11 -ATOM 2729 CA ASN D 398 16.264 27.140 -92.627 1.00 19.32 -ATOM 2730 C ASN D 398 16.062 27.942 -93.900 1.00 29.57 -ATOM 2731 O ASN D 398 14.924 28.204 -94.305 1.00 20.43 -ATOM 2732 CB ASN D 398 15.081 26.204 -92.362 1.00 31.51 -ATOM 2733 CG ASN D 398 14.907 25.136 -93.441 1.00 33.55 -ATOM 2734 OD1 ASN D 398 15.143 25.377 -94.622 1.00 31.30 -ATOM 2735 ND2 ASN D 398 14.459 23.956 -93.032 1.00 30.81 -ATOM 0 H ASN D 398 15.525 28.390 -91.154 1.00 36.11 H new -ATOM 0 HA ASN D 398 17.161 26.510 -92.720 1.00 19.32 H new -ATOM 0 1HB ASN D 398 15.221 25.713 -91.388 1.00 31.51 H new -ATOM 0 2HB ASN D 398 14.159 26.799 -92.292 1.00 31.51 H new -ATOM 0 1HD2 ASN D 398 14.302 23.224 -93.695 1.00 30.81 H new -ATOM 0 2HD2 ASN D 398 14.279 23.799 -92.061 1.00 30.81 H new -ATOM 2736 N ASN D 399 17.182 28.325 -94.515 1.00 32.35 -ATOM 2737 CA ASN D 399 17.196 29.211 -95.682 1.00 30.24 -ATOM 2738 C ASN D 399 16.438 28.707 -96.895 1.00 25.69 -ATOM 2739 O ASN D 399 15.737 29.472 -97.543 1.00 23.88 -ATOM 2740 CB ASN D 399 18.627 29.546 -96.065 1.00 22.08 -ATOM 2741 CG ASN D 399 19.278 30.438 -95.062 1.00 32.06 -ATOM 2742 OD1 ASN D 399 18.567 31.493 -94.663 1.00 34.41 flip -ATOM 2743 ND2 ASN D 399 20.394 30.184 -94.623 1.00 28.86 flip -ATOM 0 H ASN D 399 18.093 28.034 -94.222 1.00 32.35 H new -ATOM 0 HA ASN D 399 16.652 30.111 -95.361 1.00 30.24 H new -ATOM 0 1HB ASN D 399 19.208 28.617 -96.160 1.00 22.08 H new -ATOM 0 2HB ASN D 399 18.638 30.034 -97.051 1.00 22.08 H new -ATOM 0 1HD2 ASN D 399 20.808 30.780 -93.935 1.00 28.86 H new -ATOM 0 2HD2 ASN D 399 20.890 29.381 -94.953 1.00 28.86 H new -ATOM 2744 N GLU D 400 16.567 27.420 -97.190 1.00 22.11 -ATOM 2745 CA GLU D 400 15.870 26.841 -98.328 1.00 31.48 -ATOM 2746 C GLU D 400 14.364 26.996 -98.163 1.00 34.07 -ATOM 2747 O GLU D 400 13.712 27.652 -98.981 1.00 26.82 -ATOM 2748 CB GLU D 400 16.242 25.365 -98.510 1.00 42.99 -ATOM 2749 CG GLU D 400 17.731 25.107 -98.696 1.00 44.71 -ATOM 2750 CD GLU D 400 18.504 25.139 -97.384 1.00 65.94 -ATOM 2751 OE1 GLU D 400 18.117 24.418 -96.439 1.00 64.50 -ATOM 2752 OE2 GLU D 400 19.506 25.879 -97.299 1.00 71.42 -ATOM 0 H GLU D 400 17.131 26.776 -96.672 1.00 22.11 H new -ATOM 0 HA GLU D 400 16.183 27.383 -99.232 1.00 31.48 H new -ATOM 0 1HB GLU D 400 15.892 24.801 -97.633 1.00 42.99 H new -ATOM 0 2HB GLU D 400 15.702 24.969 -99.383 1.00 42.99 H new -ATOM 0 1HG GLU D 400 17.872 24.127 -99.175 1.00 44.71 H new -ATOM 0 2HG GLU D 400 18.147 25.862 -99.380 1.00 44.71 H new -ATOM 2753 N LYS D 401 13.832 26.411 -97.087 1.00 35.14 -ATOM 2754 CA LYS D 401 12.412 26.514 -96.745 1.00 27.99 -ATOM 2755 C LYS D 401 11.906 27.953 -96.665 1.00 25.06 -ATOM 2756 O LYS D 401 10.790 28.247 -97.101 1.00 22.56 -ATOM 2757 CB LYS D 401 12.118 25.799 -95.430 1.00 33.94 -ATOM 2758 CG LYS D 401 10.647 25.844 -95.038 1.00 32.01 -ATOM 2759 CD LYS D 401 10.418 25.170 -93.704 1.00 25.84 -ATOM 2760 CE LYS D 401 8.940 24.966 -93.420 1.00 21.10 -ATOM 2761 NZ LYS D 401 8.757 24.278 -92.099 1.00 20.95 -ATOM 0 H LYS D 401 14.364 25.863 -96.441 1.00 35.14 H new -ATOM 0 HA LYS D 401 11.872 26.026 -97.570 1.00 27.99 H new -ATOM 0 1HB LYS D 401 12.437 24.749 -95.512 1.00 33.94 H new -ATOM 0 2HB LYS D 401 12.718 26.256 -94.630 1.00 33.94 H new -ATOM 0 1HG LYS D 401 10.309 26.890 -94.987 1.00 32.01 H new -ATOM 0 2HG LYS D 401 10.042 25.348 -95.812 1.00 32.01 H new -ATOM 0 1HD LYS D 401 10.931 24.197 -93.692 1.00 25.84 H new -ATOM 0 2HD LYS D 401 10.864 25.779 -92.904 1.00 25.84 H new -ATOM 0 1HE LYS D 401 8.423 25.937 -93.411 1.00 21.10 H new -ATOM 0 2HE LYS D 401 8.484 24.366 -94.221 1.00 21.10 H new -ATOM 0 1HZ LYS D 401 7.781 24.149 -91.922 1.00 20.95 H + new -ATOM 0 2HZ LYS D 401 9.212 23.388 -92.120 1.00 20.95 H + new -ATOM 0 3HZ LYS D 401 9.156 24.838 -91.373 1.00 20.95 H + new -ATOM 2762 N SER D 402 12.725 28.844 -96.113 1.00 17.64 -ATOM 2763 CA SER D 402 12.373 30.256 -96.053 1.00 24.30 -ATOM 2764 C SER D 402 12.346 30.856 -97.448 1.00 25.32 -ATOM 2765 O SER D 402 11.403 31.560 -97.825 1.00 16.16 -ATOM 2766 CB SER D 402 13.371 31.027 -95.190 1.00 25.30 -ATOM 2767 OG SER D 402 13.519 30.440 -93.908 1.00 24.98 -ATOM 0 H SER D 402 13.613 28.618 -95.712 1.00 17.64 H new -ATOM 0 HA SER D 402 11.373 30.336 -95.603 1.00 24.30 H new -ATOM 0 1HB SER D 402 13.034 32.068 -95.080 1.00 25.30 H new -ATOM 0 2HB SER D 402 14.348 31.056 -95.695 1.00 25.30 H new -ATOM 0 HG SER D 402 14.314 29.834 -93.908 1.00 24.98 H new -ATOM 2768 N ASN D 403 13.386 30.568 -98.220 1.00 25.90 -ATOM 2769 CA ASN D 403 13.523 31.175 -99.537 1.00 32.06 -ATOM 2770 C ASN D 403 12.434 30.703-100.481 1.00 25.76 -ATOM 2771 O ASN D 403 11.896 31.490-101.267 1.00 17.17 -ATOM 2772 CB ASN D 403 14.914 30.918-100.123 1.00 22.38 -ATOM 2773 CG ASN D 403 16.002 31.630 -99.354 1.00 22.66 -ATOM 2774 OD1 ASN D 403 15.771 32.688 -98.761 1.00 32.48 -ATOM 2775 ND2 ASN D 403 17.198 31.060 -99.363 1.00 17.23 -ATOM 0 H ASN D 403 14.122 29.940 -97.967 1.00 25.90 H new -ATOM 0 HA ASN D 403 13.406 32.262 -99.414 1.00 32.06 H new -ATOM 0 1HB ASN D 403 15.115 29.837-100.122 1.00 22.38 H new -ATOM 0 2HB ASN D 403 14.934 31.248-101.172 1.00 22.38 H new -ATOM 0 1HD2 ASN D 403 17.959 31.488 -98.876 1.00 17.23 H new -ATOM 0 2HD2 ASN D 403 17.339 30.202 -99.857 1.00 17.23 H new -ATOM 2776 N GLU D 404 12.089 29.422-100.384 1.00 11.97 -ATOM 2777 CA GLU D 404 11.014 28.903-101.212 1.00 22.15 -ATOM 2778 C GLU D 404 9.691 29.545-100.801 1.00 29.09 -ATOM 2779 O GLU D 404 8.824 29.814-101.639 1.00 22.29 -ATOM 2780 CB GLU D 404 10.935 27.381-101.131 1.00 23.01 -ATOM 2781 CG GLU D 404 12.175 26.665-101.607 1.00 36.56 -ATOM 2782 CD GLU D 404 12.556 27.009-103.040 1.00 52.20 -ATOM 2783 OE1 GLU D 404 11.677 27.440-103.823 1.00 49.12 -ATOM 2784 OE2 GLU D 404 13.749 26.845-103.379 1.00 56.64 -ATOM 0 H GLU D 404 12.517 28.758 -99.771 1.00 11.97 H new -ATOM 0 HA GLU D 404 11.224 29.161-102.261 1.00 22.15 H new -ATOM 0 1HB GLU D 404 10.737 27.092-100.088 1.00 23.01 H new -ATOM 0 2HB GLU D 404 10.077 27.039-101.728 1.00 23.01 H new -ATOM 0 1HG GLU D 404 13.014 26.917-100.941 1.00 36.56 H new -ATOM 0 2HG GLU D 404 12.016 25.579-101.528 1.00 36.56 H new -ATOM 2785 N PHE D 405 9.552 29.803 -99.503 1.00 34.22 -ATOM 2786 CA PHE D 405 8.365 30.465 -99.003 1.00 27.55 -ATOM 2787 C PHE D 405 8.247 31.843 -99.638 1.00 19.24 -ATOM 2788 O PHE D 405 7.185 32.191-100.145 1.00 19.49 -ATOM 2789 CB PHE D 405 8.365 30.540 -97.472 1.00 26.70 -ATOM 2790 CG PHE D 405 7.056 30.982 -96.894 1.00 20.54 -ATOM 2791 CD1 PHE D 405 5.961 30.133 -96.906 1.00 32.15 -ATOM 2792 CD2 PHE D 405 6.912 32.241 -96.344 1.00 23.80 -ATOM 2793 CE1 PHE D 405 4.746 30.525 -96.373 1.00 22.80 -ATOM 2794 CE2 PHE D 405 5.695 32.647 -95.809 1.00 27.84 -ATOM 2795 CZ PHE D 405 4.611 31.790 -95.832 1.00 29.61 -ATOM 0 H PHE D 405 10.228 29.569 -98.805 1.00 34.22 H new -ATOM 0 HA PHE D 405 7.482 29.873 -99.284 1.00 27.55 H new -ATOM 0 1HB PHE D 405 8.621 29.551 -97.065 1.00 26.70 H new -ATOM 0 2HB PHE D 405 9.153 31.235 -97.147 1.00 26.70 H new -ATOM 0 HD1 PHE D 405 6.059 29.130 -97.347 1.00 32.15 H new -ATOM 0 HD2 PHE D 405 7.770 32.930 -96.329 1.00 23.80 H new -ATOM 0 HE1 PHE D 405 3.891 29.833 -96.380 1.00 22.80 H new -ATOM 0 HE2 PHE D 405 5.595 33.650 -95.368 1.00 27.84 H new -ATOM 0 HZ PHE D 405 3.643 32.114 -95.421 1.00 29.61 H new -ATOM 2796 N ASP D 406 9.334 32.614 -99.625 1.00 18.36 -ATOM 2797 CA ASP D 406 9.335 33.931-100.281 1.00 27.96 -ATOM 2798 C ASP D 406 8.874 33.787-101.721 1.00 33.09 -ATOM 2799 O ASP D 406 8.119 34.617-102.231 1.00 31.98 -ATOM 2800 CB ASP D 406 10.722 34.574-100.286 1.00 18.15 -ATOM 2801 CG ASP D 406 11.213 34.936 -98.898 1.00 43.54 -ATOM 2802 OD1 ASP D 406 10.376 35.092 -97.972 1.00 28.94 -ATOM 2803 OD2 ASP D 406 12.451 35.068 -98.744 1.00 40.70 -ATOM 0 H ASP D 406 10.197 32.365 -99.185 1.00 18.36 H new -ATOM 0 HA ASP D 406 8.652 34.576 -99.708 1.00 27.96 H new -ATOM 0 1HB ASP D 406 11.439 33.883-100.753 1.00 18.15 H new -ATOM 0 2HB ASP D 406 10.697 35.481-100.908 1.00 18.15 H new -ATOM 2804 N SER D 407 9.333 32.724-102.376 1.00 28.27 -ATOM 2805 CA SER D 407 8.961 32.484-103.760 1.00 32.09 -ATOM 2806 C SER D 407 7.471 32.201-103.873 1.00 33.51 -ATOM 2807 O SER D 407 6.778 32.770-104.717 1.00 31.04 -ATOM 2808 CB SER D 407 9.761 31.321-104.337 1.00 39.30 -ATOM 2809 OG SER D 407 9.442 31.131-105.706 1.00 51.14 -ATOM 0 H SER D 407 9.944 32.038-101.981 1.00 28.27 H new -ATOM 0 HA SER D 407 9.191 33.391-104.338 1.00 32.09 H new -ATOM 0 1HB SER D 407 9.544 30.402-103.772 1.00 39.30 H new -ATOM 0 2HB SER D 407 10.838 31.519-104.229 1.00 39.30 H new -ATOM 0 HG SER D 407 9.975 30.367-106.070 1.00 51.14 H new -ATOM 2810 N ALA D 408 6.980 31.326-103.004 1.00 34.19 -ATOM 2811 CA ALA D 408 5.562 30.990-102.978 1.00 29.60 -ATOM 2812 C ALA D 408 4.698 32.207-102.667 1.00 34.23 -ATOM 2813 O ALA D 408 3.563 32.306-103.137 1.00 36.78 -ATOM 2814 CB ALA D 408 5.308 29.887-101.973 1.00 28.42 -ATOM 0 H ALA D 408 7.532 30.846-102.322 1.00 34.19 H new -ATOM 0 HA ALA D 408 5.281 30.636-103.981 1.00 29.60 H new -ATOM 0 1HB ALA D 408 4.236 29.641-101.961 1.00 28.42 H new -ATOM 0 2HB ALA D 408 5.886 28.994-102.254 1.00 28.42 H new -ATOM 0 3HB ALA D 408 5.618 30.223-100.973 1.00 28.42 H new -ATOM 2815 N ILE D 409 5.234 33.130-101.872 1.00 31.59 -ATOM 2816 CA ILE D 409 4.487 34.325-101.490 1.00 40.55 -ATOM 2817 C ILE D 409 4.361 35.236-102.694 1.00 33.58 -ATOM 2818 O ILE D 409 3.279 35.727-103.020 1.00 38.71 -ATOM 2819 CB ILE D 409 5.176 35.102-100.347 1.00 26.23 -ATOM 2820 CG1 ILE D 409 4.927 34.413 -99.011 1.00 28.42 -ATOM 2821 CG2 ILE D 409 4.662 36.523-100.295 1.00 18.45 -ATOM 2822 CD1 ILE D 409 3.489 34.506 -98.552 1.00 29.98 -ATOM 0 H ILE D 409 6.157 33.076-101.490 1.00 31.59 H new -ATOM 0 HA ILE D 409 3.498 34.002-101.133 1.00 40.55 H new -ATOM 0 HB ILE D 409 6.258 35.120-100.542 1.00 26.23 H new -ATOM 0 1HG1 ILE D 409 5.211 33.353 -99.094 1.00 28.42 H new -ATOM 0 2HG1 ILE D 409 5.579 34.862 -98.247 1.00 28.42 H new -ATOM 0 1HG2 ILE D 409 5.161 37.064 -99.477 1.00 18.45 H new -ATOM 0 2HG2 ILE D 409 4.875 37.026-101.250 1.00 18.45 H new -ATOM 0 3HG2 ILE D 409 3.576 36.514-100.120 1.00 18.45 H new -ATOM 0 1HD1 ILE D 409 3.378 33.991 -97.586 1.00 29.98 H new -ATOM 0 2HD1 ILE D 409 3.208 35.563 -98.438 1.00 29.98 H new -ATOM 0 3HD1 ILE D 409 2.834 34.031 -99.298 1.00 29.98 H new -ATOM 2823 N ILE D 410 5.482 35.442-103.367 1.00 31.50 -ATOM 2824 CA ILE D 410 5.517 36.336-104.511 1.00 36.77 -ATOM 2825 C ILE D 410 4.524 35.910-105.596 1.00 34.06 -ATOM 2826 O ILE D 410 3.807 36.739-106.152 1.00 38.87 -ATOM 2827 CB ILE D 410 6.941 36.455-105.054 1.00 23.13 -ATOM 2828 CG1 ILE D 410 7.826 37.129-104.001 1.00 21.12 -ATOM 2829 CG2 ILE D 410 6.948 37.226-106.355 1.00 37.40 -ATOM 2830 CD1 ILE D 410 9.311 36.979-104.244 1.00 25.37 -ATOM 0 H ILE D 410 6.358 35.013-103.146 1.00 31.50 H new -ATOM 0 HA ILE D 410 5.200 37.334-104.173 1.00 36.77 H new -ATOM 0 HB ILE D 410 7.342 35.453-105.264 1.00 23.13 H new -ATOM 0 1HG1 ILE D 410 7.579 38.200-103.964 1.00 21.12 H new -ATOM 0 2HG1 ILE D 410 7.584 36.709-103.013 1.00 21.12 H new -ATOM 0 1HG2 ILE D 410 7.979 37.302-106.731 1.00 37.40 H new -ATOM 0 2HG2 ILE D 410 6.326 36.702-107.096 1.00 37.40 H new -ATOM 0 3HG2 ILE D 410 6.545 38.235-106.186 1.00 37.40 H new -ATOM 0 1HD1 ILE D 410 9.867 37.490-103.445 1.00 25.37 H new -ATOM 0 2HD1 ILE D 410 9.576 35.911-104.250 1.00 25.37 H new -ATOM 0 3HD1 ILE D 410 9.571 37.426-105.215 1.00 25.37 H new -ATOM 2831 N GLN D 411 4.446 34.615-105.867 1.00 36.99 -ATOM 2832 CA GLN D 411 3.560 34.143-106.923 1.00 41.16 -ATOM 2833 C GLN D 411 2.120 33.902-106.476 1.00 48.39 -ATOM 2834 O GLN D 411 1.231 33.726-107.303 1.00 55.73 -ATOM 2835 CB GLN D 411 4.121 32.892-107.593 1.00 42.54 -ATOM 2836 CG GLN D 411 4.575 31.823-106.643 1.00 57.01 -ATOM 2837 CD GLN D 411 4.873 30.525-107.360 1.00 71.83 -ATOM 2838 OE1 GLN D 411 4.138 30.123-108.263 1.00 74.31 -ATOM 2839 NE2 GLN D 411 5.953 29.860-106.962 1.00 77.95 -ATOM 0 H GLN D 411 4.961 33.901-105.393 1.00 36.99 H new -ATOM 0 HA GLN D 411 3.519 34.966-107.651 1.00 41.16 H new -ATOM 0 1HB GLN D 411 3.351 32.471-108.256 1.00 42.54 H new -ATOM 0 2HB GLN D 411 4.970 33.183-108.229 1.00 42.54 H new -ATOM 0 1HG GLN D 411 5.476 32.163-106.111 1.00 57.01 H new -ATOM 0 2HG GLN D 411 3.798 31.653-105.884 1.00 57.01 H new -ATOM 0 1HE2 GLN D 411 6.197 28.995-107.400 1.00 77.95 H new -ATOM 0 2HE2 GLN D 411 6.521 30.225-106.224 1.00 77.95 H new -ATOM 2840 N SER D 412 1.883 33.895-105.173 1.00 49.50 -ATOM 2841 CA SER D 412 0.530 33.699-104.673 1.00 53.46 -ATOM 2842 C SER D 412 -0.221 35.015-104.713 1.00 39.65 -ATOM 2843 O SER D 412 -1.450 35.055-104.760 1.00 48.87 -ATOM 2844 CB SER D 412 0.559 33.172-103.233 1.00 54.94 -ATOM 2845 OG SER D 412 0.732 34.219-102.283 1.00 35.30 -ATOM 0 H SER D 412 2.581 34.018-104.468 1.00 49.50 H new -ATOM 0 HA SER D 412 0.022 32.960-105.311 1.00 53.46 H new -ATOM 0 1HB SER D 412 1.376 32.443-103.127 1.00 54.94 H new -ATOM 0 2HB SER D 412 -0.378 32.637-103.021 1.00 54.94 H new -ATOM 0 HG SER D 412 1.554 34.742-102.509 1.00 35.30 H new -ATOM 2846 N VAL D 413 0.538 36.096-104.715 1.00 37.00 -ATOM 2847 CA VAL D 413 -0.013 37.395-104.386 1.00 44.80 -ATOM 2848 C VAL D 413 -0.058 38.368-105.552 1.00 59.72 -ATOM 2849 O VAL D 413 -0.820 39.333-105.531 1.00 61.68 -ATOM 2850 CB VAL D 413 0.777 37.992-103.222 1.00 50.45 -ATOM 2851 CG1 VAL D 413 1.146 39.439-103.491 1.00 44.52 -ATOM 2852 CG2 VAL D 413 0.003 37.804-101.925 1.00 43.07 -ATOM 0 H VAL D 413 1.513 36.099-104.935 1.00 37.00 H new -ATOM 0 HA VAL D 413 -1.064 37.232-104.104 1.00 44.80 H new -ATOM 0 HB VAL D 413 1.732 37.456-103.116 1.00 50.45 H new -ATOM 0 1HG1 VAL D 413 1.712 39.838-102.637 1.00 44.52 H new -ATOM 0 2HG1 VAL D 413 1.764 39.498-104.399 1.00 44.52 H new -ATOM 0 3HG1 VAL D 413 0.230 40.031-103.632 1.00 44.52 H new -ATOM 0 1HG2 VAL D 413 0.575 38.235-101.090 1.00 43.07 H new -ATOM 0 2HG2 VAL D 413 -0.971 38.310-102.002 1.00 43.07 H new -ATOM 0 3HG2 VAL D 413 -0.156 36.731-101.744 1.00 43.07 H new -ATOM 2853 N GLN D 414 0.741 38.105-106.579 1.00 63.93 -ATOM 2854 CA GLN D 414 0.805 39.011-107.716 1.00 73.26 -ATOM 2855 C GLN D 414 -0.472 39.009-108.550 1.00 76.13 -ATOM 2856 O GLN D 414 -1.137 37.982-108.697 1.00 67.24 -ATOM 2857 CB GLN D 414 2.042 38.738-108.565 1.00 78.95 -ATOM 2858 CG GLN D 414 3.312 39.232-107.893 1.00 74.56 -ATOM 2859 CD GLN D 414 4.461 39.398-108.859 1.00 76.20 -ATOM 2860 OE1 GLN D 414 4.527 38.716-109.886 1.00 69.97 -ATOM 2861 NE2 GLN D 414 5.380 40.310-108.535 1.00 66.05 -ATOM 0 H GLN D 414 1.332 37.301-106.646 1.00 63.93 H new -ATOM 0 HA GLN D 414 0.894 40.029-107.308 1.00 73.26 H new -ATOM 0 1HB GLN D 414 2.125 37.658-108.755 1.00 78.95 H new -ATOM 0 2HB GLN D 414 1.930 39.229-109.543 1.00 78.95 H new -ATOM 0 1HG GLN D 414 3.110 40.195-107.402 1.00 74.56 H new -ATOM 0 2HG GLN D 414 3.603 38.523-107.104 1.00 74.56 H new -ATOM 0 1HE2 GLN D 414 6.165 40.464-109.135 1.00 66.05 H new -ATOM 0 2HE2 GLN D 414 5.284 40.839-107.692 1.00 66.05 H new -ATOM 2862 N GLY D 415 -0.809 40.179-109.081 1.00 69.72 -ATOM 2863 CA GLY D 415 -2.098 40.392-109.707 1.00 74.51 -ATOM 2864 C GLY D 415 -2.971 41.224-108.789 1.00 82.13 -ATOM 2865 O GLY D 415 -3.514 42.253-109.196 1.00 85.99 -ATOM 0 H GLY D 415 -0.211 40.980-109.087 1.00 69.72 H new -ATOM 0 1HA GLY D 415 -1.970 40.903-110.673 1.00 74.51 H new -ATOM 0 2HA GLY D 415 -2.581 39.426-109.916 1.00 74.51 H new -ATOM 2866 N ASP D 416 -3.086 40.776-107.540 1.00 82.56 -ATOM 2867 CA ASP D 416 -3.891 41.448-106.524 1.00 59.95 -ATOM 2868 C ASP D 416 -3.380 42.859-106.282 1.00 66.47 -ATOM 2869 O ASP D 416 -2.292 43.049-105.740 1.00 64.96 -ATOM 2870 CB ASP D 416 -3.866 40.644-105.218 1.00 72.94 -ATOM 2871 CG ASP D 416 -4.992 41.025-104.258 1.00 82.96 -ATOM 2872 OD1 ASP D 416 -5.241 40.252-103.306 1.00 80.72 -ATOM 2873 OD2 ASP D 416 -5.628 42.087-104.447 1.00 79.16 -ATOM 0 H ASP D 416 -2.630 39.949-107.210 1.00 82.56 H new -ATOM 0 HA ASP D 416 -4.928 41.512-106.885 1.00 59.95 H new -ATOM 0 1HB ASP D 416 -3.940 39.572-105.453 1.00 72.94 H new -ATOM 0 2HB ASP D 416 -2.898 40.798-104.718 1.00 72.94 H new -ATOM 2874 N SER D 417 -4.171 43.846-106.696 1.00 63.05 -ATOM 2875 CA SER D 417 -3.826 45.251-106.513 1.00 56.91 -ATOM 2876 C SER D 417 -4.016 45.673-105.060 1.00 69.47 -ATOM 2877 O SER D 417 -3.568 46.747-104.647 1.00 65.45 -ATOM 2878 CB SER D 417 -4.686 46.127-107.420 1.00 63.13 -ATOM 2879 OG SER D 417 -6.065 45.885-107.196 1.00 76.70 -ATOM 0 H SER D 417 -5.046 43.697-107.156 1.00 63.05 H new -ATOM 0 HA SER D 417 -2.767 45.380-106.780 1.00 56.91 H new -ATOM 0 1HB SER D 417 -4.440 45.925-108.473 1.00 63.13 H new -ATOM 0 2HB SER D 417 -4.460 47.187-107.234 1.00 63.13 H new -ATOM 0 HG SER D 417 -6.609 46.470-107.798 1.00 76.70 H new -ATOM 2880 N ASN D 418 -4.697 44.821-104.299 1.00 66.38 -ATOM 2881 CA ASN D 418 -4.923 45.058-102.884 1.00 57.11 -ATOM 2882 C ASN D 418 -3.663 44.779-102.083 1.00 48.67 -ATOM 2883 O ASN D 418 -3.232 45.604-101.286 1.00 46.52 -ATOM 2884 CB ASN D 418 -6.076 44.184-102.382 1.00 70.16 -ATOM 2885 CG ASN D 418 -6.274 44.273-100.874 1.00 62.39 -ATOM 2886 OD1 ASN D 418 -6.268 45.362-100.293 1.00 50.79 -ATOM 2887 ND2 ASN D 418 -6.464 43.121-100.237 1.00 51.37 -ATOM 0 H ASN D 418 -5.096 43.970-104.640 1.00 66.38 H new -ATOM 0 HA ASN D 418 -5.191 46.116-102.747 1.00 57.11 H new -ATOM 0 1HB ASN D 418 -7.005 44.486-102.887 1.00 70.16 H new -ATOM 0 2HB ASN D 418 -5.884 43.137-102.660 1.00 70.16 H new -ATOM 0 1HD2 ASN D 418 -6.610 43.115 -99.248 1.00 51.37 H new -ATOM 0 2HD2 ASN D 418 -6.461 42.261-100.747 1.00 51.37 H new -ATOM 2888 N LEU D 419 -3.075 43.613-102.316 1.00 49.98 -ATOM 2889 CA LEU D 419 -1.924 43.147-101.553 1.00 52.17 -ATOM 2890 C LEU D 419 -0.594 43.712-102.054 1.00 48.18 -ATOM 2891 O LEU D 419 0.339 43.900-101.275 1.00 31.94 -ATOM 2892 CB LEU D 419 -1.889 41.618-101.556 1.00 44.48 -ATOM 2893 CG LEU D 419 -3.184 40.996-101.039 1.00 50.27 -ATOM 2894 CD1 LEU D 419 -3.093 39.476-100.994 1.00 47.16 -ATOM 2895 CD2 LEU D 419 -3.498 41.568 -99.668 1.00 47.63 -ATOM 0 H LEU D 419 -3.376 42.976-103.025 1.00 49.98 H new -ATOM 0 HA LEU D 419 -2.048 43.521-100.526 1.00 52.17 H new -ATOM 0 1HB LEU D 419 -1.700 41.262-102.579 1.00 44.48 H new -ATOM 0 2HB LEU D 419 -1.049 41.274-100.935 1.00 44.48 H new -ATOM 0 HG LEU D 419 -4.002 41.245-101.732 1.00 50.27 H new -ATOM 0 1HD1 LEU D 419 -4.040 39.062-100.618 1.00 47.16 H new -ATOM 0 2HD1 LEU D 419 -2.901 39.090-102.006 1.00 47.16 H new -ATOM 0 3HD1 LEU D 419 -2.272 39.177-100.326 1.00 47.16 H new -ATOM 0 1HD2 LEU D 419 -4.430 41.124 -99.290 1.00 47.63 H new -ATOM 0 2HD2 LEU D 419 -2.675 41.336 -98.976 1.00 47.63 H new -ATOM 0 3HD2 LEU D 419 -3.617 42.659 -99.744 1.00 47.63 H new -ATOM 2896 N VAL D 420 -0.508 43.962-103.357 1.00 71.48 -ATOM 2897 CA VAL D 420 0.656 44.620-103.943 1.00 54.14 -ATOM 2898 C VAL D 420 0.285 46.062-104.219 1.00 53.72 -ATOM 2899 O VAL D 420 -0.563 46.328-105.067 1.00 69.41 -ATOM 2900 CB VAL D 420 1.066 43.971-105.260 1.00 48.33 -ATOM 2901 CG1 VAL D 420 2.306 44.661-105.814 1.00 47.26 -ATOM 2902 CG2 VAL D 420 1.314 42.486-105.060 1.00 47.33 -ATOM 0 H VAL D 420 -1.220 43.722-104.017 1.00 71.48 H new -ATOM 0 HA VAL D 420 1.498 44.537-103.241 1.00 54.14 H new -ATOM 0 HB VAL D 420 0.250 44.085-105.988 1.00 48.33 H new -ATOM 0 1HG1 VAL D 420 2.596 44.188-106.764 1.00 47.26 H new -ATOM 0 2HG1 VAL D 420 2.088 45.725-105.987 1.00 47.26 H new -ATOM 0 3HG1 VAL D 420 3.131 44.569-105.092 1.00 47.26 H new -ATOM 0 1HG2 VAL D 420 1.609 42.031-106.017 1.00 47.33 H new -ATOM 0 2HG2 VAL D 420 2.119 42.344-104.324 1.00 47.33 H new -ATOM 0 3HG2 VAL D 420 0.394 42.006-104.694 1.00 47.33 H new -ATOM 2903 N THR D 421 0.906 46.996-103.508 1.00 57.27 -ATOM 2904 CA THR D 421 0.450 48.378-103.562 1.00 76.13 -ATOM 2905 C THR D 421 1.516 49.392-103.144 1.00 78.58 -ATOM 2906 O THR D 421 2.648 49.024-102.830 1.00 63.46 -ATOM 2907 CB THR D 421 -0.806 48.563-102.684 1.00 77.97 -ATOM 2908 OG1 THR D 421 -1.470 49.788-103.027 1.00 96.42 -ATOM 2909 CG2 THR D 421 -0.431 48.566-101.204 1.00 78.15 -ATOM 0 H THR D 421 1.692 46.831-102.913 1.00 57.27 H new -ATOM 0 HA THR D 421 0.214 48.578-104.618 1.00 76.13 H new -ATOM 0 HB THR D 421 -1.489 47.721-102.869 1.00 77.97 H new -ATOM 0 HG1 THR D 421 -2.283 49.899-102.455 1.00 96.42 H new -ATOM 0 1HG2 THR D 421 -1.338 48.699-100.596 1.00 78.15 H new -ATOM 0 2HG2 THR D 421 0.047 47.610-100.944 1.00 78.15 H new -ATOM 0 3HG2 THR D 421 0.268 49.391-101.004 1.00 78.15 H new -ATOM 2910 N LYS D 422 1.137 50.669-103.157 1.00 88.65 -ATOM 2911 CA LYS D 422 2.013 51.762-102.748 1.00 78.16 -ATOM 2912 C LYS D 422 2.489 51.558-101.315 1.00 78.93 -ATOM 2913 O LYS D 422 1.790 50.958-100.499 1.00 73.72 -ATOM 2914 CB LYS D 422 1.284 53.103-102.869 1.00 94.71 -ATOM 2915 CG LYS D 422 0.644 53.348-104.228 1.00103.31 -ATOM 2916 CD LYS D 422 -0.314 54.532-104.190 1.00103.31 -ATOM 2917 CE LYS D 422 -1.081 54.658-105.500 1.00103.31 -ATOM 2918 NZ LYS D 422 -2.148 55.697-105.439 1.00 94.14 -ATOM 0 H LYS D 422 0.228 50.968-103.447 1.00 88.65 H new -ATOM 0 HA LYS D 422 2.888 51.770-103.414 1.00 78.16 H new -ATOM 0 1HB LYS D 422 0.504 53.154-102.095 1.00 94.71 H new -ATOM 0 2HB LYS D 422 1.997 53.914-102.661 1.00 94.71 H new -ATOM 0 1HG LYS D 422 1.429 53.533-104.976 1.00103.31 H new -ATOM 0 2HG LYS D 422 0.102 52.446-104.547 1.00103.31 H new -ATOM 0 1HD LYS D 422 -1.022 54.409-103.357 1.00103.31 H new -ATOM 0 2HD LYS D 422 0.249 55.458-104.000 1.00103.31 H new -ATOM 0 1HE LYS D 422 -0.379 54.905-106.310 1.00103.31 H new -ATOM 0 2HE LYS D 422 -1.533 53.687-105.751 1.00103.31 H new -ATOM 0 1HZ LYS D 422 -2.621 55.742-106.319 1.00 94.14 H + new -ATOM 0 2HZ LYS D 422 -2.803 55.461-104.721 1.00 94.14 H + new -ATOM 0 3HZ LYS D 422 -1.737 56.586-105.236 1.00 94.14 H + new -ATOM 2919 N LYS D 423 3.676 52.073-101.015 1.00 79.78 -ATOM 2920 CA LYS D 423 4.316 51.840 -99.726 1.00 62.65 -ATOM 2921 C LYS D 423 3.570 52.504 -98.565 1.00 69.48 -ATOM 2922 O LYS D 423 3.624 52.029 -97.429 1.00 71.72 -ATOM 2923 CB LYS D 423 5.769 52.319 -99.772 1.00 64.38 -ATOM 2924 CG LYS D 423 6.739 51.428 -99.020 1.00 70.34 -ATOM 2925 CD LYS D 423 8.177 51.904 -99.182 1.00 75.61 -ATOM 2926 CE LYS D 423 8.469 53.111 -98.304 1.00 82.28 -ATOM 2927 NZ LYS D 423 9.926 53.433 -98.290 1.00 75.49 -ATOM 0 H LYS D 423 4.207 52.647-101.639 1.00 79.78 H new -ATOM 0 HA LYS D 423 4.288 50.756 -99.539 1.00 62.65 H new -ATOM 0 1HB LYS D 423 6.089 52.386-100.822 1.00 64.38 H new -ATOM 0 2HB LYS D 423 5.822 53.335 -99.354 1.00 64.38 H new -ATOM 0 1HG LYS D 423 6.474 51.414 -97.952 1.00 70.34 H new -ATOM 0 2HG LYS D 423 6.650 50.395 -99.387 1.00 70.34 H new -ATOM 0 1HD LYS D 423 8.866 51.086 -98.924 1.00 75.61 H new -ATOM 0 2HD LYS D 423 8.363 52.162-100.235 1.00 75.61 H new -ATOM 0 1HE LYS D 423 7.903 53.980 -98.671 1.00 82.28 H new -ATOM 0 2HE LYS D 423 8.125 52.913 -97.278 1.00 82.28 H new -ATOM 0 1HZ LYS D 423 10.265 53.406 -97.350 1.00 75.49 H + new -ATOM 0 2HZ LYS D 423 10.421 52.762 -98.842 1.00 75.49 H + new -ATOM 0 3HZ LYS D 423 10.070 54.347 -98.670 1.00 75.49 H + new -ATOM 2928 N GLU D 424 2.874 53.599 -98.856 1.00 73.18 -ATOM 2929 CA GLU D 424 2.116 54.324 -97.837 1.00 84.70 -ATOM 2930 C GLU D 424 0.729 53.711 -97.632 1.00 68.88 -ATOM 2931 O GLU D 424 0.063 53.981 -96.635 1.00 71.17 -ATOM 2932 CB GLU D 424 2.001 55.808 -98.209 1.00101.22 -ATOM 2933 CG GLU D 424 1.425 56.703 -97.112 1.00103.31 -ATOM 2934 CD GLU D 424 1.454 58.184 -97.480 1.00103.31 -ATOM 2935 OE1 GLU D 424 0.533 58.920 -97.064 1.00103.31 -ATOM 2936 OE2 GLU D 424 2.395 58.611 -98.185 1.00103.31 -ATOM 0 H GLU D 424 2.819 53.998 -99.772 1.00 73.18 H new -ATOM 0 HA GLU D 424 2.663 54.240 -96.886 1.00 84.70 H new -ATOM 0 1HB GLU D 424 3.000 56.181 -98.480 1.00101.22 H new -ATOM 0 2HB GLU D 424 1.369 55.899 -99.105 1.00101.22 H new -ATOM 0 1HG GLU D 424 0.387 56.401 -96.907 1.00103.31 H new -ATOM 0 2HG GLU D 424 1.994 56.550 -96.183 1.00103.31 H new -ATOM 2937 N GLU D 425 0.305 52.885 -98.583 1.00 65.91 -ATOM 2938 CA GLU D 425 -0.952 52.157 -98.469 1.00 72.10 -ATOM 2939 C GLU D 425 -0.764 50.834 -97.725 1.00 73.21 -ATOM 2940 O GLU D 425 -1.549 49.901 -97.890 1.00 76.08 -ATOM 2941 CB GLU D 425 -1.545 51.886 -99.850 1.00 82.78 -ATOM 2942 CG GLU D 425 -2.197 53.084-100.508 1.00 87.77 -ATOM 2943 CD GLU D 425 -3.257 52.672-101.513 1.00103.31 -ATOM 2944 OE1 GLU D 425 -3.916 51.635-101.287 1.00103.31 -ATOM 2945 OE2 GLU D 425 -3.435 53.382-102.525 1.00103.31 -ATOM 0 H GLU D 425 0.808 52.707 -99.429 1.00 65.91 H new -ATOM 0 HA GLU D 425 -1.646 52.787 -97.893 1.00 72.10 H new -ATOM 0 1HB GLU D 425 -0.747 51.513-100.509 1.00 82.78 H new -ATOM 0 2HB GLU D 425 -2.291 51.083 -99.762 1.00 82.78 H new -ATOM 0 1HG GLU D 425 -2.652 53.723 -99.737 1.00 87.77 H new -ATOM 0 2HG GLU D 425 -1.429 53.688-101.013 1.00 87.77 H new -ATOM 2946 N ILE D 426 0.287 50.755 -96.917 1.00 61.90 -ATOM 2947 CA ILE D 426 0.550 49.571 -96.112 1.00 61.44 -ATOM 2948 C ILE D 426 0.150 49.815 -94.657 1.00 55.16 -ATOM 2949 O ILE D 426 0.589 50.788 -94.048 1.00 55.01 -ATOM 2950 CB ILE D 426 2.035 49.163 -96.194 1.00 50.71 -ATOM 2951 CG1 ILE D 426 2.320 48.506 -97.544 1.00 50.41 -ATOM 2952 CG2 ILE D 426 2.400 48.226 -95.052 1.00 41.98 -ATOM 2953 CD1 ILE D 426 3.739 48.032 -97.709 1.00 33.26 -ATOM 0 H ILE D 426 0.959 51.487 -96.805 1.00 61.90 H new -ATOM 0 HA ILE D 426 -0.056 48.746 -96.515 1.00 61.44 H new -ATOM 0 HB ILE D 426 2.656 50.067 -96.102 1.00 50.71 H new -ATOM 0 1HG1 ILE D 426 1.641 47.650 -97.674 1.00 50.41 H new -ATOM 0 2HG1 ILE D 426 2.089 49.224 -98.345 1.00 50.41 H new -ATOM 0 1HG2 ILE D 426 3.461 47.948 -95.130 1.00 41.98 H new -ATOM 0 2HG2 ILE D 426 2.223 48.732 -94.091 1.00 41.98 H new -ATOM 0 3HG2 ILE D 426 1.779 47.320 -95.108 1.00 41.98 H new -ATOM 0 1HD1 ILE D 426 3.860 47.574 -98.702 1.00 33.26 H new -ATOM 0 2HD1 ILE D 426 4.425 48.887 -97.614 1.00 33.26 H new -ATOM 0 3HD1 ILE D 426 3.970 47.288 -96.932 1.00 33.26 H new -ATOM 2954 N TYR D 427 -0.690 48.934 -94.116 1.00 46.70 -ATOM 2955 CA TYR D 427 -1.166 49.025 -92.734 1.00 46.01 -ATOM 2956 C TYR D 427 -0.022 49.257 -91.754 1.00 40.17 -ATOM 2957 O TYR D 427 1.041 48.662 -91.894 1.00 40.33 -ATOM 2958 CB TYR D 427 -1.869 47.725 -92.348 1.00 37.96 -ATOM 2959 CG TYR D 427 -3.252 47.535 -92.930 1.00 42.66 -ATOM 2960 CD1 TYR D 427 -4.018 46.436 -92.577 1.00 39.96 -ATOM 2961 CD2 TYR D 427 -3.799 48.457 -93.815 1.00 48.16 -ATOM 2962 CE1 TYR D 427 -5.278 46.246 -93.097 1.00 49.00 -ATOM 2963 CE2 TYR D 427 -5.068 48.275 -94.340 1.00 43.82 -ATOM 2964 CZ TYR D 427 -5.802 47.166 -93.975 1.00 45.71 -ATOM 2965 OH TYR D 427 -7.066 46.963 -94.484 1.00 34.35 -ATOM 0 H TYR D 427 -1.055 48.148 -94.615 1.00 46.70 H new -ATOM 0 HA TYR D 427 -1.857 49.879 -92.680 1.00 46.01 H new -ATOM 0 1HB TYR D 427 -1.239 46.880 -92.663 1.00 37.96 H new -ATOM 0 2HB TYR D 427 -1.943 47.680 -91.251 1.00 37.96 H new -ATOM 0 HD1 TYR D 427 -3.611 45.701 -91.867 1.00 39.96 H new -ATOM 0 HD2 TYR D 427 -3.216 49.344 -94.103 1.00 48.16 H new -ATOM 0 HE1 TYR D 427 -5.865 45.360 -92.811 1.00 49.00 H new -ATOM 0 HE2 TYR D 427 -5.487 49.010 -95.043 1.00 43.82 H new -ATOM 0 HH TYR D 427 -7.302 47.714 -95.101 1.00 34.35 H new -ATOM 2966 N PRO D 428 -0.238 50.116 -90.747 1.00 44.30 -ATOM 2967 CA PRO D 428 0.794 50.287 -89.714 1.00 47.72 -ATOM 2968 C PRO D 428 1.168 48.945 -89.063 1.00 42.58 -ATOM 2969 O PRO D 428 0.298 48.110 -88.797 1.00 24.27 -ATOM 2970 CB PRO D 428 0.128 51.234 -88.707 1.00 50.76 -ATOM 2971 CG PRO D 428 -0.874 51.995 -89.522 1.00 36.42 -ATOM 2972 CD PRO D 428 -1.387 51.019 -90.548 1.00 39.61 -ATOM 0 HA PRO D 428 1.740 50.681 -90.113 1.00 47.72 H new -ATOM 0 1HB PRO D 428 -0.357 50.677 -87.892 1.00 50.76 H new -ATOM 0 2HB PRO D 428 0.863 51.908 -88.243 1.00 50.76 H new -ATOM 0 1HG PRO D 428 -1.692 52.372 -88.891 1.00 36.42 H new -ATOM 0 2HG PRO D 428 -0.410 52.868 -90.004 1.00 36.42 H new -ATOM 0 1HD PRO D 428 -2.274 50.477 -90.188 1.00 39.61 H new -ATOM 0 2HD PRO D 428 -1.676 51.523 -91.482 1.00 39.61 H new -ATOM 2973 N LEU D 429 2.459 48.744 -88.817 1.00 41.66 -ATOM 2974 CA LEU D 429 2.964 47.433 -88.420 1.00 36.61 -ATOM 2975 C LEU D 429 3.521 47.374 -87.000 1.00 32.56 -ATOM 2976 O LEU D 429 3.887 46.299 -86.523 1.00 30.40 -ATOM 2977 CB LEU D 429 4.046 46.970 -89.405 1.00 35.20 -ATOM 2978 CG LEU D 429 3.629 46.845 -90.871 1.00 30.76 -ATOM 2979 CD1 LEU D 429 4.825 46.494 -91.746 1.00 28.26 -ATOM 2980 CD2 LEU D 429 2.526 45.815 -91.018 1.00 29.33 -ATOM 0 H LEU D 429 3.159 49.455 -88.884 1.00 41.66 H new -ATOM 0 HA LEU D 429 2.093 46.762 -88.440 1.00 36.61 H new -ATOM 0 1HB LEU D 429 4.889 47.675 -89.346 1.00 35.20 H new -ATOM 0 2HB LEU D 429 4.421 45.992 -89.069 1.00 35.20 H new -ATOM 0 HG LEU D 429 3.241 47.817 -91.208 1.00 30.76 H new -ATOM 0 1HD1 LEU D 429 4.501 46.410 -92.794 1.00 28.26 H new -ATOM 0 2HD1 LEU D 429 5.587 47.283 -91.661 1.00 28.26 H new -ATOM 0 3HD1 LEU D 429 5.252 45.535 -91.416 1.00 28.26 H new -ATOM 0 1HD2 LEU D 429 2.236 45.736 -92.076 1.00 29.33 H new -ATOM 0 2HD2 LEU D 429 2.886 44.838 -90.663 1.00 29.33 H new -ATOM 0 3HD2 LEU D 429 1.654 46.123 -90.422 1.00 29.33 H new -ATOM 2981 N TYR D 430 3.594 48.518 -86.330 1.00 29.05 -ATOM 2982 CA TYR D 430 4.209 48.585 -85.008 1.00 33.53 -ATOM 2983 C TYR D 430 3.244 49.151 -83.961 1.00 51.12 -ATOM 2984 O TYR D 430 3.231 50.355 -83.701 1.00 50.43 -ATOM 2985 CB TYR D 430 5.487 49.419 -85.076 1.00 29.56 -ATOM 2986 CG TYR D 430 6.498 48.903 -86.083 1.00 43.79 -ATOM 2987 CD1 TYR D 430 6.406 49.240 -87.431 1.00 37.29 -ATOM 2988 CD2 TYR D 430 7.546 48.083 -85.685 1.00 31.63 -ATOM 2989 CE1 TYR D 430 7.329 48.769 -88.350 1.00 41.96 -ATOM 2990 CE2 TYR D 430 8.470 47.611 -86.588 1.00 24.30 -ATOM 2991 CZ TYR D 430 8.359 47.957 -87.922 1.00 44.26 -ATOM 2992 OH TYR D 430 9.281 47.492 -88.830 1.00 34.55 -ATOM 0 H TYR D 430 3.244 49.391 -86.671 1.00 29.05 H new -ATOM 0 HA TYR D 430 4.462 47.562 -84.694 1.00 33.53 H new -ATOM 0 1HB TYR D 430 5.224 50.456 -85.332 1.00 29.56 H new -ATOM 0 2HB TYR D 430 5.953 49.441 -84.080 1.00 29.56 H new -ATOM 0 HD1 TYR D 430 5.587 49.891 -87.771 1.00 37.29 H new -ATOM 0 HD2 TYR D 430 7.639 47.805 -84.625 1.00 31.63 H new -ATOM 0 HE1 TYR D 430 7.242 49.040 -89.412 1.00 41.96 H new -ATOM 0 HE2 TYR D 430 9.292 46.962 -86.251 1.00 24.30 H new -ATOM 0 HH TYR D 430 9.116 47.916 -89.721 1.00 34.55 H new -ATOM 2993 N ASN D 431 2.450 48.276 -83.348 1.00 51.12 -ATOM 2994 CA ASN D 431 1.317 48.729 -82.533 1.00 61.32 -ATOM 2995 C ASN D 431 1.303 48.399 -81.027 1.00 43.48 -ATOM 2996 O ASN D 431 0.262 48.529 -80.386 1.00 61.25 -ATOM 2997 CB ASN D 431 0.000 48.272 -83.175 1.00 50.97 -ATOM 2998 CG ASN D 431 -0.215 48.874 -84.557 1.00 60.10 -ATOM 2999 OD1 ASN D 431 -0.301 50.093 -84.709 1.00 60.23 -ATOM 3000 ND2 ASN D 431 -0.303 48.017 -85.572 1.00 51.08 -ATOM 0 H ASN D 431 2.562 47.283 -83.395 1.00 51.12 H new -ATOM 0 HA ASN D 431 1.444 49.822 -82.537 1.00 61.32 H new -ATOM 0 1HB ASN D 431 -0.005 47.175 -83.252 1.00 50.97 H new -ATOM 0 2HB ASN D 431 -0.839 48.553 -82.522 1.00 50.97 H new -ATOM 0 1HD2 ASN D 431 -0.444 48.356 -86.502 1.00 51.08 H new -ATOM 0 2HD2 ASN D 431 -0.228 47.034 -85.404 1.00 51.08 H new -ATOM 3001 N VAL D 432 2.437 48.000 -80.455 1.00 38.29 -ATOM 3002 CA VAL D 432 2.480 47.702 -79.021 1.00 52.59 -ATOM 3003 C VAL D 432 3.070 48.852 -78.209 1.00 51.72 -ATOM 3004 O VAL D 432 2.825 48.956 -77.009 1.00 40.27 -ATOM 3005 CB VAL D 432 3.232 46.375 -78.683 1.00 54.49 -ATOM 3006 CG1 VAL D 432 3.102 45.355 -79.822 1.00 41.08 -ATOM 3007 CG2 VAL D 432 4.691 46.645 -78.325 1.00 54.96 -ATOM 0 H VAL D 432 3.304 47.879 -80.938 1.00 38.29 H new -ATOM 0 HA VAL D 432 1.427 47.567 -78.732 1.00 52.59 H new -ATOM 0 HB VAL D 432 2.755 45.932 -77.796 1.00 54.49 H new -ATOM 0 1HG1 VAL D 432 3.641 44.434 -79.554 1.00 41.08 H new -ATOM 0 2HG1 VAL D 432 2.040 45.123 -79.987 1.00 41.08 H new -ATOM 0 3HG1 VAL D 432 3.532 45.776 -80.743 1.00 41.08 H new -ATOM 0 1HG2 VAL D 432 5.194 45.695 -78.092 1.00 54.96 H new -ATOM 0 2HG2 VAL D 432 5.195 47.127 -79.176 1.00 54.96 H new -ATOM 0 3HG2 VAL D 432 4.737 47.308 -77.448 1.00 54.96 H new -ATOM 3008 N SER D 433 3.838 49.716 -78.869 1.00 61.37 -ATOM 3009 CA SER D 433 4.394 50.908 -78.228 1.00 71.43 -ATOM 3010 C SER D 433 3.302 51.880 -77.750 1.00 59.43 -ATOM 3011 O SER D 433 3.522 52.675 -76.834 1.00 63.76 -ATOM 3012 CB SER D 433 5.351 51.628 -79.184 1.00 73.41 -ATOM 3013 OG SER D 433 4.661 52.114 -80.326 1.00 69.13 -ATOM 0 H SER D 433 4.086 49.615 -79.832 1.00 61.37 H new -ATOM 0 HA SER D 433 4.945 50.568 -77.339 1.00 71.43 H new -ATOM 0 1HB SER D 433 6.148 50.939 -79.499 1.00 73.41 H new -ATOM 0 2HB SER D 433 5.837 52.465 -78.661 1.00 73.41 H new -ATOM 0 HG SER D 433 5.305 52.580 -80.932 1.00 69.13 H new -ATOM 3014 N SER D 434 2.129 51.805 -78.374 1.00 58.46 -ATOM 3015 CA SER D 434 1.006 52.687 -78.062 1.00 60.51 -ATOM 3016 C SER D 434 0.306 52.344 -76.742 1.00 58.91 -ATOM 3017 O SER D 434 -0.909 52.516 -76.623 1.00 70.06 -ATOM 3018 CB SER D 434 -0.015 52.640 -79.201 1.00 56.61 -ATOM 3019 OG SER D 434 -0.590 51.344 -79.314 1.00 47.53 -ATOM 0 H SER D 434 1.933 51.143 -79.097 1.00 58.46 H new -ATOM 0 HA SER D 434 1.425 53.698 -77.948 1.00 60.51 H new -ATOM 0 1HB SER D 434 0.473 52.913 -80.148 1.00 56.61 H new -ATOM 0 2HB SER D 434 -0.806 53.383 -79.021 1.00 56.61 H new -ATOM 0 HG SER D 434 0.063 50.726 -79.752 1.00 47.53 H new -ATOM 3020 N LEU D 435 1.068 51.867 -75.758 1.00 64.58 -ATOM 3021 CA LEU D 435 0.515 51.451 -74.465 1.00 50.13 -ATOM 3022 C LEU D 435 1.341 52.010 -73.313 1.00 52.72 -ATOM 3023 O LEU D 435 2.473 52.463 -73.509 1.00 52.68 -ATOM 3024 CB LEU D 435 0.450 49.922 -74.377 1.00 36.57 -ATOM 3025 CG LEU D 435 -0.355 49.234 -75.486 1.00 35.25 -ATOM 3026 CD1 LEU D 435 -0.090 47.751 -75.544 1.00 33.90 -ATOM 3027 CD2 LEU D 435 -1.842 49.493 -75.319 1.00 58.78 -ATOM 0 H LEU D 435 2.060 51.760 -75.830 1.00 64.58 H new -ATOM 0 HA LEU D 435 -0.505 51.855 -74.386 1.00 50.13 H new -ATOM 0 1HB LEU D 435 1.476 49.527 -74.393 1.00 36.57 H new -ATOM 0 2HB LEU D 435 0.014 49.646 -73.406 1.00 36.57 H new -ATOM 0 HG LEU D 435 -0.021 49.671 -76.439 1.00 35.25 H new -ATOM 0 1HD1 LEU D 435 -0.687 47.303 -76.352 1.00 33.90 H new -ATOM 0 2HD1 LEU D 435 0.978 47.576 -75.738 1.00 33.90 H new -ATOM 0 3HD1 LEU D 435 -0.368 47.291 -74.584 1.00 33.90 H new -ATOM 0 1HD2 LEU D 435 -2.395 48.990 -76.126 1.00 58.78 H new -ATOM 0 2HD2 LEU D 435 -2.176 49.102 -74.347 1.00 58.78 H new -ATOM 0 3HD2 LEU D 435 -2.034 50.575 -75.364 1.00 58.78 H new -ATOM 3029 N GLN F 436 0.362 62.355 -61.833 1.00 56.39 -ATOM 3030 CA GLN F 436 0.725 60.946 -61.922 1.00 65.01 -ATOM 3031 C GLN F 436 0.477 60.212 -60.604 1.00 61.79 -ATOM 3032 O GLN F 436 1.002 60.593 -59.557 1.00 69.31 -ATOM 3033 CB GLN F 436 2.189 60.802 -62.334 1.00 76.18 -ATOM 3034 CG GLN F 436 2.777 59.425 -62.077 1.00 82.05 -ATOM 3035 CD GLN F 436 4.293 59.422 -62.122 1.00 91.33 -ATOM 3036 OE1 GLN F 436 4.953 59.031 -61.159 1.00 91.01 -ATOM 3037 NE2 GLN F 436 4.852 59.872 -63.238 1.00 95.30 -ATOM 0 HA GLN F 436 0.084 60.486 -62.688 1.00 65.01 H new -ATOM 0 1HB GLN F 436 2.281 61.033 -63.406 1.00 76.18 H new -ATOM 0 2HB GLN F 436 2.786 61.550 -61.791 1.00 76.18 H new -ATOM 0 1HG GLN F 436 2.442 59.065 -61.093 1.00 82.05 H new -ATOM 0 2HG GLN F 436 2.390 58.719 -62.827 1.00 82.05 H new -ATOM 0 1HE2 GLN F 436 5.848 59.903 -63.321 1.00 95.30 H new -ATOM 0 2HE2 GLN F 436 4.277 60.180 -63.996 1.00 95.30 H new -ATOM 3038 N LEU F 437 -0.323 59.155 -60.670 1.00 37.82 -ATOM 3039 CA LEU F 437 -0.659 58.363 -59.494 1.00 37.67 -ATOM 3040 C LEU F 437 0.533 57.606 -58.911 1.00 26.73 -ATOM 3041 O LEU F 437 1.366 57.081 -59.637 1.00 32.13 -ATOM 3042 CB LEU F 437 -1.771 57.377 -59.840 1.00 21.28 -ATOM 3043 CG LEU F 437 -3.095 58.009 -60.254 1.00 26.24 -ATOM 3044 CD1 LEU F 437 -4.038 56.933 -60.744 1.00 14.37 -ATOM 3045 CD2 LEU F 437 -3.704 58.816 -59.088 1.00 22.05 -ATOM 0 H LEU F 437 -0.746 58.831 -61.516 1.00 37.82 H new -ATOM 0 HA LEU F 437 -0.993 59.071 -58.722 1.00 37.67 H new -ATOM 0 1HB LEU F 437 -1.422 56.728 -60.657 1.00 21.28 H new -ATOM 0 2HB LEU F 437 -1.949 56.730 -58.969 1.00 21.28 H new -ATOM 0 HG LEU F 437 -2.920 58.716 -61.078 1.00 26.24 H new -ATOM 0 1HD1 LEU F 437 -4.993 57.390 -61.042 1.00 14.37 H new -ATOM 0 2HD1 LEU F 437 -3.592 56.419 -61.608 1.00 14.37 H new -ATOM 0 3HD1 LEU F 437 -4.216 56.206 -59.938 1.00 14.37 H new -ATOM 0 1HD2 LEU F 437 -4.657 59.262 -59.409 1.00 22.05 H new -ATOM 0 2HD2 LEU F 437 -3.882 58.148 -58.233 1.00 22.05 H new -ATOM 0 3HD2 LEU F 437 -3.008 59.614 -58.791 1.00 22.05 H new -ATOM 3046 N GLU F 438 0.615 57.565 -57.589 1.00 40.34 -ATOM 3047 CA GLU F 438 1.557 56.673 -56.933 1.00 44.16 -ATOM 3048 C GLU F 438 0.820 55.512 -56.281 1.00 32.47 -ATOM 3049 O GLU F 438 -0.081 55.714 -55.459 1.00 20.76 -ATOM 3050 CB GLU F 438 2.422 57.410 -55.907 1.00 56.33 -ATOM 3051 CG GLU F 438 3.826 57.736 -56.404 1.00 63.96 -ATOM 3052 CD GLU F 438 3.918 59.090 -57.078 1.00 89.58 -ATOM 3053 OE1 GLU F 438 3.534 60.100 -56.449 1.00 86.54 -ATOM 3054 OE2 GLU F 438 4.393 59.145 -58.231 1.00 86.01 -ATOM 0 H GLU F 438 0.060 58.120 -56.970 1.00 40.34 H new -ATOM 0 HA GLU F 438 2.233 56.277 -57.705 1.00 44.16 H new -ATOM 0 1HB GLU F 438 1.918 58.345 -55.622 1.00 56.33 H new -ATOM 0 2HB GLU F 438 2.499 56.796 -54.998 1.00 56.33 H new -ATOM 0 1HG GLU F 438 4.525 57.707 -55.555 1.00 63.96 H new -ATOM 0 2HG GLU F 438 4.148 56.958 -57.112 1.00 63.96 H new -ATOM 3055 N TYR F 439 1.199 54.299 -56.675 1.00 29.23 -ATOM 3056 CA TYR F 439 0.637 53.089 -56.091 1.00 31.98 -ATOM 3057 C TYR F 439 1.693 52.005 -56.023 1.00 23.48 -ATOM 3058 O TYR F 439 2.659 52.040 -56.765 1.00 18.81 -ATOM 3059 CB TYR F 439 -0.588 52.624 -56.876 1.00 24.87 -ATOM 3060 CG TYR F 439 -0.350 52.413 -58.349 1.00 29.95 -ATOM 3061 CD1 TYR F 439 0.215 51.231 -58.815 1.00 32.14 -ATOM 3062 CD2 TYR F 439 -0.697 53.390 -59.278 1.00 30.46 -ATOM 3063 CE1 TYR F 439 0.440 51.028 -60.165 1.00 27.34 -ATOM 3064 CE2 TYR F 439 -0.480 53.200 -60.630 1.00 26.05 -ATOM 3065 CZ TYR F 439 0.088 52.016 -61.069 1.00 29.69 -ATOM 3066 OH TYR F 439 0.301 51.821 -62.409 1.00 25.95 -ATOM 0 H TYR F 439 1.883 54.133 -57.386 1.00 29.23 H new -ATOM 0 HA TYR F 439 0.306 53.312 -55.066 1.00 31.98 H new -ATOM 0 1HB TYR F 439 -0.951 51.682 -56.439 1.00 24.87 H new -ATOM 0 2HB TYR F 439 -1.390 53.366 -56.751 1.00 24.87 H new -ATOM 0 HD1 TYR F 439 0.488 50.443 -58.097 1.00 32.14 H new -ATOM 0 HD2 TYR F 439 -1.152 54.329 -58.930 1.00 30.46 H new -ATOM 0 HE1 TYR F 439 0.894 50.090 -60.517 1.00 27.34 H new -ATOM 0 HE2 TYR F 439 -0.756 53.983 -61.351 1.00 26.05 H new -ATOM 0 HH TYR F 439 0.974 51.092 -62.537 1.00 25.95 H new -ATOM 3067 N PRO F 440 1.520 51.054 -55.104 1.00 27.12 -ATOM 3068 CA PRO F 440 2.510 49.996 -54.903 1.00 29.74 -ATOM 3069 C PRO F 440 2.546 48.991 -56.054 1.00 27.46 -ATOM 3070 O PRO F 440 1.550 48.806 -56.768 1.00 14.18 -ATOM 3071 CB PRO F 440 2.035 49.305 -53.612 1.00 27.28 -ATOM 3072 CG PRO F 440 1.032 50.214 -53.007 1.00 26.40 -ATOM 3073 CD PRO F 440 0.427 50.985 -54.126 1.00 21.62 -ATOM 0 HA PRO F 440 3.531 50.403 -54.848 1.00 29.74 H new -ATOM 0 1HB PRO F 440 1.594 48.322 -53.831 1.00 27.28 H new -ATOM 0 2HB PRO F 440 2.876 49.134 -52.925 1.00 27.28 H new -ATOM 0 1HG PRO F 440 0.264 49.643 -52.465 1.00 26.40 H new -ATOM 0 2HG PRO F 440 1.505 50.889 -52.278 1.00 26.40 H new -ATOM 0 1HD PRO F 440 -0.458 50.479 -54.539 1.00 21.62 H new -ATOM 0 2HD PRO F 440 0.104 51.986 -53.804 1.00 21.62 H new -ATOM 3074 N VAL F 441 3.703 48.354 -56.213 1.00 20.68 -ATOM 3075 CA VAL F 441 3.858 47.216 -57.112 1.00 24.50 -ATOM 3076 C VAL F 441 3.033 46.022 -56.642 1.00 23.18 -ATOM 3077 O VAL F 441 2.459 45.322 -57.461 1.00 14.53 -ATOM 3078 CB VAL F 441 5.334 46.805 -57.242 1.00 34.49 -ATOM 3079 CG1 VAL F 441 5.461 45.334 -57.649 1.00 37.95 -ATOM 3080 CG2 VAL F 441 6.038 47.705 -58.240 1.00 28.24 -ATOM 0 H VAL F 441 4.542 48.608 -55.732 1.00 20.68 H new -ATOM 0 HA VAL F 441 3.490 47.533 -58.099 1.00 24.50 H new -ATOM 0 HB VAL F 441 5.817 46.922 -56.261 1.00 34.49 H new -ATOM 0 1HG1 VAL F 441 6.525 45.067 -57.735 1.00 37.95 H new -ATOM 0 2HG1 VAL F 441 4.985 44.700 -56.887 1.00 37.95 H new -ATOM 0 3HG1 VAL F 441 4.965 45.177 -58.618 1.00 37.95 H new -ATOM 0 1HG2 VAL F 441 7.092 47.404 -58.326 1.00 28.24 H new -ATOM 0 2HG2 VAL F 441 5.550 47.616 -59.222 1.00 28.24 H new -ATOM 0 3HG2 VAL F 441 5.982 48.748 -57.896 1.00 28.24 H new -ATOM 3081 N SER F 442 2.983 45.814 -55.324 1.00 23.99 -ATOM 3082 CA SER F 442 2.121 44.822 -54.697 1.00 20.34 -ATOM 3083 C SER F 442 1.676 45.309 -53.309 1.00 25.39 -ATOM 3084 O SER F 442 2.292 46.193 -52.728 1.00 23.11 -ATOM 3085 CB SER F 442 2.881 43.518 -54.550 1.00 22.19 -ATOM 3086 OG SER F 442 4.004 43.717 -53.721 1.00 25.39 -ATOM 0 H SER F 442 3.538 46.329 -54.671 1.00 23.99 H new -ATOM 0 HA SER F 442 1.232 44.669 -55.327 1.00 20.34 H new -ATOM 0 1HB SER F 442 3.201 43.154 -55.538 1.00 22.19 H new -ATOM 0 2HB SER F 442 2.226 42.746 -54.119 1.00 22.19 H new -ATOM 0 HG SER F 442 4.045 42.991 -53.034 1.00 25.39 H new -ATOM 3087 N PRO F 443 0.606 44.727 -52.764 1.00 26.88 -ATOM 3088 CA PRO F 443 0.183 45.154 -51.424 1.00 25.03 -ATOM 3089 C PRO F 443 1.303 45.009 -50.402 1.00 24.93 -ATOM 3090 O PRO F 443 1.367 45.770 -49.446 1.00 31.42 -ATOM 3091 CB PRO F 443 -0.956 44.193 -51.091 1.00 19.91 -ATOM 3092 CG PRO F 443 -1.475 43.749 -52.425 1.00 19.59 -ATOM 3093 CD PRO F 443 -0.303 43.731 -53.357 1.00 23.29 -ATOM 0 HA PRO F 443 -0.107 46.215 -51.400 1.00 25.03 H new -ATOM 0 1HB PRO F 443 -0.599 43.340 -50.496 1.00 19.91 H new -ATOM 0 2HB PRO F 443 -1.740 44.690 -50.501 1.00 19.91 H new -ATOM 0 1HG PRO F 443 -1.933 42.751 -52.354 1.00 19.59 H new -ATOM 0 2HG PRO F 443 -2.254 44.435 -52.789 1.00 19.59 H new -ATOM 0 1HD PRO F 443 0.161 42.735 -53.408 1.00 23.29 H new -ATOM 0 2HD PRO F 443 -0.593 44.004 -54.382 1.00 23.29 H new -ATOM 3094 N GLN F 444 2.193 44.052 -50.620 1.00 27.82 -ATOM 3095 CA GLN F 444 3.236 43.766 -49.646 1.00 26.42 -ATOM 3096 C GLN F 444 4.341 44.800 -49.678 1.00 26.05 -ATOM 3097 O GLN F 444 5.100 44.930 -48.723 1.00 27.48 -ATOM 3098 CB GLN F 444 3.812 42.364 -49.857 1.00 28.03 -ATOM 3099 CG GLN F 444 2.751 41.293 -50.075 1.00 50.30 -ATOM 3100 CD GLN F 444 2.328 41.185 -51.531 1.00 62.02 -ATOM 3101 OE1 GLN F 444 3.138 41.407 -52.435 1.00 60.26 -ATOM 3102 NE2 GLN F 444 1.059 40.834 -51.768 1.00 44.22 -ATOM 0 H GLN F 444 2.214 43.477 -51.438 1.00 27.82 H new -ATOM 0 HA GLN F 444 2.768 43.810 -48.652 1.00 26.42 H new -ATOM 0 1HB GLN F 444 4.487 42.381 -50.726 1.00 28.03 H new -ATOM 0 2HB GLN F 444 4.421 42.092 -48.982 1.00 28.03 H new -ATOM 0 1HG GLN F 444 3.139 40.321 -49.736 1.00 50.30 H new -ATOM 0 2HG GLN F 444 1.871 41.521 -49.456 1.00 50.30 H new -ATOM 0 1HE2 GLN F 444 0.733 40.742 -52.709 1.00 44.22 H new -ATOM 0 2HE2 GLN F 444 0.436 40.663 -51.004 1.00 44.22 H new -ATOM 3103 N ASP F 445 4.426 45.542 -50.778 1.00 23.53 -ATOM 3104 CA ASP F 445 5.446 46.579 -50.923 1.00 29.13 -ATOM 3105 C ASP F 445 4.968 47.918 -50.406 1.00 34.63 -ATOM 3106 O ASP F 445 5.720 48.889 -50.389 1.00 38.88 -ATOM 3107 CB ASP F 445 5.859 46.743 -52.385 1.00 26.43 -ATOM 3108 CG ASP F 445 6.840 45.697 -52.825 1.00 45.91 -ATOM 3109 OD1 ASP F 445 7.532 45.136 -51.950 1.00 54.02 -ATOM 3110 OD2 ASP F 445 6.920 45.433 -54.043 1.00 59.19 -ATOM 0 H ASP F 445 3.816 45.448 -51.565 1.00 23.53 H new -ATOM 0 HA ASP F 445 6.309 46.251 -50.325 1.00 29.13 H new -ATOM 0 1HB ASP F 445 4.964 46.694 -53.023 1.00 26.43 H new -ATOM 0 2HB ASP F 445 6.302 47.740 -52.528 1.00 26.43 H new -ATOM 3111 N MET F 446 3.710 47.973 -49.996 1.00 26.04 -ATOM 3112 CA MET F 446 3.130 49.227 -49.571 1.00 24.51 -ATOM 3113 C MET F 446 3.633 49.592 -48.180 1.00 23.39 -ATOM 3114 O MET F 446 3.570 48.785 -47.252 1.00 31.04 -ATOM 3115 CB MET F 446 1.605 49.130 -49.594 1.00 33.16 -ATOM 3116 CG MET F 446 0.913 50.403 -49.173 1.00 24.53 -ATOM 3117 SD MET F 446 1.458 51.792 -50.169 1.00 21.39 -ATOM 3118 CE MET F 446 0.440 53.093 -49.473 1.00 14.75 -ATOM 0 H MET F 446 3.094 47.187 -49.951 1.00 26.04 H new -ATOM 0 HA MET F 446 3.437 50.023 -50.266 1.00 24.51 H new -ATOM 0 1HB MET F 446 1.278 48.864 -50.610 1.00 33.16 H new -ATOM 0 2HB MET F 446 1.288 48.313 -48.929 1.00 33.16 H new -ATOM 0 1HG MET F 446 -0.176 50.282 -49.270 1.00 24.53 H new -ATOM 0 2HG MET F 446 1.121 50.604 -48.112 1.00 24.53 H new -ATOM 0 1HE MET F 446 0.655 54.042 -49.986 1.00 14.75 H new -ATOM 0 2HE MET F 446 -0.622 52.838 -49.605 1.00 14.75 H new -ATOM 0 3HE MET F 446 0.661 53.198 -48.401 1.00 14.75 H new -ATOM 3119 N ASP F 447 4.151 50.805 -48.049 1.00 25.06 -ATOM 3120 CA ASP F 447 4.558 51.320 -46.751 1.00 32.44 -ATOM 3121 C ASP F 447 3.438 52.177 -46.187 1.00 27.77 -ATOM 3122 O ASP F 447 3.117 53.235 -46.729 1.00 28.53 -ATOM 3123 CB ASP F 447 5.835 52.147 -46.858 1.00 36.35 -ATOM 3124 CG ASP F 447 6.333 52.612 -45.511 1.00 44.62 -ATOM 3125 OD1 ASP F 447 7.274 53.431 -45.476 1.00 54.82 -ATOM 3126 OD2 ASP F 447 5.785 52.152 -44.484 1.00 41.99 -ATOM 0 H ASP F 447 4.296 51.437 -48.810 1.00 25.06 H new -ATOM 0 HA ASP F 447 4.761 50.470 -46.083 1.00 32.44 H new -ATOM 0 1HB ASP F 447 6.617 51.548 -47.348 1.00 36.35 H new -ATOM 0 2HB ASP F 447 5.650 53.021 -47.499 1.00 36.35 H new -ATOM 3127 N TRP F 448 2.841 51.709 -45.101 1.00 25.22 -ATOM 3128 CA TRP F 448 1.678 52.375 -44.537 1.00 28.13 -ATOM 3129 C TRP F 448 2.087 53.255 -43.365 1.00 25.87 -ATOM 3130 O TRP F 448 1.287 54.027 -42.846 1.00 26.65 -ATOM 3131 CB TRP F 448 0.642 51.347 -44.089 1.00 22.12 -ATOM 3132 CG TRP F 448 -0.050 50.629 -45.198 1.00 15.96 -ATOM 3133 CD1 TRP F 448 0.178 49.346 -45.611 1.00 10.33 -ATOM 3134 CD2 TRP F 448 -1.112 51.135 -46.021 1.00 12.63 -ATOM 3135 NE1 TRP F 448 -0.667 49.027 -46.645 1.00 11.52 -ATOM 3136 CE2 TRP F 448 -1.464 50.107 -46.926 1.00 16.21 -ATOM 3137 CE3 TRP F 448 -1.785 52.359 -46.097 1.00 12.43 -ATOM 3138 CZ2 TRP F 448 -2.471 50.262 -47.883 1.00 11.57 -ATOM 3139 CZ3 TRP F 448 -2.782 52.515 -47.045 1.00 15.10 -ATOM 3140 CH2 TRP F 448 -3.111 51.473 -47.932 1.00 16.39 -ATOM 0 H TRP F 448 3.135 50.892 -44.605 1.00 25.22 H new -ATOM 0 HA TRP F 448 1.229 53.011 -45.314 1.00 28.13 H new -ATOM 0 1HB TRP F 448 1.137 50.606 -43.445 1.00 22.12 H new -ATOM 0 2HB TRP F 448 -0.114 51.855 -43.472 1.00 22.12 H new -ATOM 0 HD1 TRP F 448 0.929 48.668 -45.178 1.00 10.33 H new -ATOM 0 HE1 TRP F 448 -0.697 48.147 -47.118 1.00 11.52 H new -ATOM 0 HE3 TRP F 448 -1.527 53.183 -45.416 1.00 12.43 H new -ATOM 0 HZ2 TRP F 448 -2.739 49.445 -48.569 1.00 11.57 H new -ATOM 0 HZ3 TRP F 448 -3.326 53.469 -47.106 1.00 15.10 H new -ATOM 0 HH2 TRP F 448 -3.900 51.634 -48.682 1.00 16.39 H new -ATOM 3141 N SER F 449 3.349 53.153 -42.973 1.00 29.97 -ATOM 3142 CA SER F 449 3.839 53.853 -41.797 1.00 31.95 -ATOM 3143 C SER F 449 3.946 55.374 -41.964 1.00 35.53 -ATOM 3144 O SER F 449 4.198 56.090 -40.996 1.00 48.15 -ATOM 3145 CB SER F 449 5.180 53.263 -41.355 1.00 33.28 -ATOM 3146 OG SER F 449 6.241 53.725 -42.168 1.00 36.54 -ATOM 0 H SER F 449 4.038 52.602 -43.444 1.00 29.97 H new -ATOM 0 HA SER F 449 3.082 53.698 -41.015 1.00 31.95 H new -ATOM 0 1HB SER F 449 5.132 52.165 -41.400 1.00 33.28 H new -ATOM 0 2HB SER F 449 5.374 53.534 -40.307 1.00 33.28 H new -ATOM 0 HG SER F 449 6.218 53.250 -43.048 1.00 36.54 H new -ATOM 3147 N LYS F 450 3.760 55.877 -43.178 1.00 34.74 -ATOM 3148 CA LYS F 450 3.821 57.320 -43.383 1.00 35.98 -ATOM 3149 C LYS F 450 2.447 57.947 -43.253 1.00 37.66 -ATOM 3150 O LYS F 450 2.314 59.090 -42.809 1.00 39.58 -ATOM 3151 CB LYS F 450 4.434 57.662 -44.741 1.00 43.36 -ATOM 3152 CG LYS F 450 5.909 57.317 -44.855 1.00 58.82 -ATOM 3153 CD LYS F 450 6.689 57.849 -43.665 1.00 69.65 -ATOM 3154 CE LYS F 450 8.178 57.576 -43.807 1.00 85.61 -ATOM 3155 NZ LYS F 450 8.805 58.443 -44.847 1.00 99.43 -ATOM 0 H LYS F 450 3.574 55.337 -43.999 1.00 34.74 H new -ATOM 0 HA LYS F 450 4.470 57.737 -42.598 1.00 35.98 H new -ATOM 0 1HB LYS F 450 3.881 57.127 -45.527 1.00 43.36 H new -ATOM 0 2HB LYS F 450 4.303 58.738 -44.931 1.00 43.36 H new -ATOM 0 1HG LYS F 450 6.030 56.226 -44.919 1.00 58.82 H new -ATOM 0 2HG LYS F 450 6.317 57.741 -45.784 1.00 58.82 H new -ATOM 0 1HD LYS F 450 6.521 58.932 -43.569 1.00 69.65 H new -ATOM 0 2HD LYS F 450 6.316 57.382 -42.742 1.00 69.65 H new -ATOM 0 1HE LYS F 450 8.675 57.745 -42.841 1.00 85.61 H new -ATOM 0 2HE LYS F 450 8.334 56.519 -44.069 1.00 85.61 H new -ATOM 0 1HZ LYS F 450 9.795 58.305 -44.843 1.00 99.43 H + new -ATOM 0 2HZ LYS F 450 8.439 58.204 -45.746 1.00 99.43 H + new -ATOM 0 3HZ LYS F 450 8.601 59.402 -44.649 1.00 99.43 H + new -ATOM 3156 N LEU F 451 1.420 57.195 -43.640 1.00 33.24 -ATOM 3157 CA LEU F 451 0.054 57.681 -43.522 1.00 28.67 -ATOM 3158 C LEU F 451 -0.443 57.466 -42.103 1.00 26.33 -ATOM 3159 O LEU F 451 -1.222 58.256 -41.590 1.00 23.88 -ATOM 3160 CB LEU F 451 -0.863 56.977 -44.514 1.00 20.79 -ATOM 3161 CG LEU F 451 -0.626 57.277 -45.997 1.00 28.77 -ATOM 3162 CD1 LEU F 451 -1.116 56.113 -46.872 1.00 22.53 -ATOM 3163 CD2 LEU F 451 -1.271 58.610 -46.412 1.00 19.00 -ATOM 0 H LEU F 451 1.507 56.276 -44.025 1.00 33.24 H new -ATOM 0 HA LEU F 451 0.043 58.756 -43.754 1.00 28.67 H new -ATOM 0 1HB LEU F 451 -0.765 55.892 -44.363 1.00 20.79 H new -ATOM 0 2HB LEU F 451 -1.902 57.243 -44.271 1.00 20.79 H new -ATOM 0 HG LEU F 451 0.458 57.382 -46.154 1.00 28.77 H new -ATOM 0 1HD1 LEU F 451 -0.937 56.349 -47.931 1.00 22.53 H new -ATOM 0 2HD1 LEU F 451 -0.570 55.197 -46.603 1.00 22.53 H new -ATOM 0 3HD1 LEU F 451 -2.193 55.959 -46.709 1.00 22.53 H new -ATOM 0 1HD2 LEU F 451 -1.081 58.793 -47.480 1.00 19.00 H new -ATOM 0 2HD2 LEU F 451 -2.356 58.564 -46.235 1.00 19.00 H new -ATOM 0 3HD2 LEU F 451 -0.838 59.428 -45.818 1.00 19.00 H new -ATOM 3164 N TYR F 452 0.024 56.391 -41.477 1.00 31.01 -ATOM 3165 CA TYR F 452 -0.420 56.014 -40.135 1.00 34.76 -ATOM 3166 C TYR F 452 0.770 55.803 -39.210 1.00 36.15 -ATOM 3167 O TYR F 452 0.987 54.689 -38.733 1.00 29.31 -ATOM 3168 CB TYR F 452 -1.281 54.748 -40.182 1.00 16.46 -ATOM 3169 CG TYR F 452 -2.458 54.868 -41.124 1.00 21.39 -ATOM 3170 CD1 TYR F 452 -2.358 54.431 -42.436 1.00 17.83 -ATOM 3171 CD2 TYR F 452 -3.665 55.429 -40.707 1.00 17.82 -ATOM 3172 CE1 TYR F 452 -3.420 54.542 -43.307 1.00 17.57 -ATOM 3173 CE2 TYR F 452 -4.742 55.540 -41.575 1.00 15.78 -ATOM 3174 CZ TYR F 452 -4.609 55.099 -42.880 1.00 16.29 -ATOM 3175 OH TYR F 452 -5.651 55.197 -43.780 1.00 14.20 -ATOM 0 H TYR F 452 0.702 55.771 -41.872 1.00 31.01 H new -ATOM 0 HA TYR F 452 -1.030 56.839 -39.738 1.00 34.76 H new -ATOM 0 1HB TYR F 452 -0.656 53.898 -40.492 1.00 16.46 H new -ATOM 0 2HB TYR F 452 -1.650 54.524 -39.170 1.00 16.46 H new -ATOM 0 HD1 TYR F 452 -1.415 53.988 -42.788 1.00 17.83 H new -ATOM 0 HD2 TYR F 452 -3.765 55.790 -39.673 1.00 17.82 H new -ATOM 0 HE1 TYR F 452 -3.320 54.187 -44.343 1.00 17.57 H new -ATOM 0 HE2 TYR F 452 -5.692 55.974 -41.229 1.00 15.78 H new -ATOM 0 HH TYR F 452 -6.418 55.675 -43.352 1.00 14.20 H new -ATOM 3176 N PRO F 453 1.525 56.886 -38.938 1.00 38.63 -ATOM 3177 CA PRO F 453 2.798 56.853 -38.211 1.00 26.27 -ATOM 3178 C PRO F 453 2.624 56.388 -36.781 1.00 32.06 -ATOM 3179 O PRO F 453 3.577 55.888 -36.192 1.00 44.78 -ATOM 3180 CB PRO F 453 3.242 58.319 -38.210 1.00 34.74 -ATOM 3181 CG PRO F 453 2.420 58.991 -39.254 1.00 38.55 -ATOM 3182 CD PRO F 453 1.127 58.263 -39.275 1.00 37.88 -ATOM 0 HA PRO F 453 3.514 56.159 -38.675 1.00 26.27 H new -ATOM 0 1HB PRO F 453 3.082 58.780 -37.224 1.00 34.74 H new -ATOM 0 2HB PRO F 453 4.315 58.407 -38.435 1.00 34.74 H new -ATOM 0 1HG PRO F 453 2.271 60.055 -39.016 1.00 38.55 H new -ATOM 0 2HG PRO F 453 2.915 58.947 -40.236 1.00 38.55 H new -ATOM 0 1HD PRO F 453 0.415 58.673 -38.543 1.00 37.88 H new -ATOM 0 2HD PRO F 453 0.643 58.319 -40.261 1.00 37.88 H new -ATOM 3183 N TYR F 454 1.420 56.541 -36.240 1.00 29.57 -ATOM 3184 CA TYR F 454 1.149 56.205 -34.843 1.00 37.71 -ATOM 3185 C TYR F 454 1.054 54.717 -34.603 1.00 41.66 -ATOM 3186 O TYR F 454 1.009 54.268 -33.460 1.00 44.88 -ATOM 3187 CB TYR F 454 -0.157 56.833 -34.404 1.00 24.89 -ATOM 3188 CG TYR F 454 -0.511 56.612 -32.959 1.00 39.48 -ATOM 3189 CD1 TYR F 454 0.319 57.061 -31.943 1.00 50.75 -ATOM 3190 CD2 TYR F 454 -1.699 55.990 -32.605 1.00 55.18 -ATOM 3191 CE1 TYR F 454 -0.016 56.880 -30.613 1.00 54.61 -ATOM 3192 CE2 TYR F 454 -2.042 55.802 -31.278 1.00 55.63 -ATOM 3193 CZ TYR F 454 -1.196 56.251 -30.287 1.00 56.98 -ATOM 3194 OH TYR F 454 -1.524 56.072 -28.963 1.00 66.00 -ATOM 0 H TYR F 454 0.627 56.890 -36.739 1.00 29.57 H new -ATOM 0 HA TYR F 454 1.998 56.596 -34.262 1.00 37.71 H new -ATOM 0 1HB TYR F 454 -0.108 57.916 -34.593 1.00 24.89 H new -ATOM 0 2HB TYR F 454 -0.968 56.433 -35.030 1.00 24.89 H new -ATOM 0 HD1 TYR F 454 1.260 57.570 -32.199 1.00 50.75 H new -ATOM 0 HD2 TYR F 454 -2.381 55.640 -33.394 1.00 55.18 H new -ATOM 0 HE1 TYR F 454 0.657 57.237 -29.820 1.00 54.61 H new -ATOM 0 HE2 TYR F 454 -2.984 55.298 -31.016 1.00 55.63 H new -ATOM 0 HH TYR F 454 -2.405 55.604 -28.898 1.00 66.00 H new -ATOM 3195 N TYR F 455 0.999 53.955 -35.684 1.00 36.03 -ATOM 3196 CA TYR F 455 0.834 52.520 -35.575 1.00 32.05 -ATOM 3197 C TYR F 455 2.073 51.811 -36.071 1.00 41.83 -ATOM 3198 O TYR F 455 2.039 50.628 -36.395 1.00 41.35 -ATOM 3199 CB TYR F 455 -0.413 52.077 -36.330 1.00 35.80 -ATOM 3200 CG TYR F 455 -1.664 52.703 -35.760 1.00 30.59 -ATOM 3201 CD1 TYR F 455 -2.223 53.833 -36.338 1.00 31.03 -ATOM 3202 CD2 TYR F 455 -2.265 52.183 -34.623 1.00 29.33 -ATOM 3203 CE1 TYR F 455 -3.357 54.415 -35.813 1.00 28.83 -ATOM 3204 CE2 TYR F 455 -3.402 52.757 -34.090 1.00 32.08 -ATOM 3205 CZ TYR F 455 -3.943 53.871 -34.690 1.00 23.33 -ATOM 3206 OH TYR F 455 -5.071 54.449 -34.160 1.00 38.40 -ATOM 0 H TYR F 455 1.065 54.299 -36.621 1.00 36.03 H new -ATOM 0 HA TYR F 455 0.698 52.249 -34.518 1.00 32.05 H new -ATOM 0 1HB TYR F 455 -0.316 52.351 -37.391 1.00 35.80 H new -ATOM 0 2HB TYR F 455 -0.498 50.981 -36.287 1.00 35.80 H new -ATOM 0 HD1 TYR F 455 -1.754 54.272 -37.231 1.00 31.03 H new -ATOM 0 HD2 TYR F 455 -1.828 51.298 -34.138 1.00 29.33 H new -ATOM 0 HE1 TYR F 455 -3.791 55.308 -36.287 1.00 28.83 H new -ATOM 0 HE2 TYR F 455 -3.872 52.327 -33.193 1.00 32.08 H new -ATOM 0 HH TYR F 455 -5.364 53.933 -33.355 1.00 38.40 H new -ATOM 3207 N LYS F 456 3.169 52.561 -36.129 1.00 43.74 -ATOM 3208 CA LYS F 456 4.471 51.987 -36.400 1.00 41.99 -ATOM 3209 C LYS F 456 5.089 51.579 -35.081 1.00 55.36 -ATOM 3210 O LYS F 456 5.232 52.400 -34.177 1.00 56.82 -ATOM 3211 CB LYS F 456 5.386 52.999 -37.089 1.00 41.64 -ATOM 3212 CG LYS F 456 6.715 52.411 -37.530 1.00 50.31 -ATOM 3213 CD LYS F 456 7.702 53.487 -37.983 1.00 81.01 -ATOM 3214 CE LYS F 456 7.073 54.445 -38.989 1.00 90.37 -ATOM 3215 NZ LYS F 456 8.072 55.325 -39.668 1.00101.70 -ATOM 0 H LYS F 456 3.175 53.552 -35.993 1.00 43.74 H new -ATOM 0 HA LYS F 456 4.352 51.121 -37.068 1.00 41.99 H new -ATOM 0 1HB LYS F 456 4.867 53.412 -37.967 1.00 41.64 H new -ATOM 0 2HB LYS F 456 5.575 53.838 -36.403 1.00 41.64 H new -ATOM 0 1HG LYS F 456 7.155 51.839 -36.699 1.00 50.31 H new -ATOM 0 2HG LYS F 456 6.545 51.702 -38.354 1.00 50.31 H new -ATOM 0 1HD LYS F 456 8.054 54.053 -37.108 1.00 81.01 H new -ATOM 0 2HD LYS F 456 8.584 53.009 -38.434 1.00 81.01 H new -ATOM 0 1HE LYS F 456 6.530 53.864 -39.749 1.00 90.37 H new -ATOM 0 2HE LYS F 456 6.331 55.073 -38.473 1.00 90.37 H new -ATOM 0 1HZ LYS F 456 7.602 55.928 -40.313 1.00101.70 H + new -ATOM 0 2HZ LYS F 456 8.550 55.876 -38.984 1.00101.70 H + new -ATOM 0 3HZ LYS F 456 8.733 54.760 -40.162 1.00101.70 H + new -ATOM 3216 N ASN F 457 5.436 50.303 -34.969 1.00 55.39 -ATOM 3217 CA ASN F 457 6.210 49.809 -33.841 1.00 61.46 -ATOM 3218 C ASN F 457 7.635 50.343 -33.930 1.00 78.37 -ATOM 3219 O ASN F 457 8.348 50.065 -34.895 1.00 75.78 -ATOM 3220 CB ASN F 457 6.220 48.280 -33.839 1.00 65.29 -ATOM 3221 CG ASN F 457 6.970 47.699 -32.656 1.00 84.53 -ATOM 3222 OD1 ASN F 457 7.503 48.430 -31.821 1.00 88.05 -ATOM 3223 ND2 ASN F 457 7.013 46.372 -32.578 1.00 86.05 -ATOM 0 H ASN F 457 5.195 49.601 -35.640 1.00 55.39 H new -ATOM 0 HA ASN F 457 5.750 50.158 -32.905 1.00 61.46 H new -ATOM 0 1HB ASN F 457 5.184 47.911 -33.827 1.00 65.29 H new -ATOM 0 2HB ASN F 457 6.679 47.920 -34.771 1.00 65.29 H new -ATOM 0 1HD2 ASN F 457 7.492 45.931 -31.819 1.00 86.05 H new -ATOM 0 2HD2 ASN F 457 6.566 45.815 -33.278 1.00 86.05 H new -ATOM 3224 N ALA F 458 8.048 51.116 -32.932 1.00 74.20 -ATOM 3225 CA ALA F 458 9.374 51.728 -32.950 1.00 70.28 -ATOM 3226 C ALA F 458 10.491 50.684 -32.863 1.00 87.49 -ATOM 3227 O ALA F 458 11.588 50.898 -33.384 1.00 83.02 -ATOM 3228 CB ALA F 458 9.503 52.753 -31.832 1.00 66.57 -ATOM 0 H ALA F 458 7.501 51.329 -32.122 1.00 74.20 H new -ATOM 0 HA ALA F 458 9.487 52.242 -33.916 1.00 70.28 H new -ATOM 0 1HB ALA F 458 10.506 53.203 -31.861 1.00 66.57 H new -ATOM 0 2HB ALA F 458 8.745 53.539 -31.965 1.00 66.57 H new -ATOM 0 3HB ALA F 458 9.351 52.259 -30.861 1.00 66.57 H new -ATOM 3229 N GLU F 459 10.206 49.559 -32.208 1.00 83.09 -ATOM 3230 CA GLU F 459 11.191 48.491 -32.050 1.00 78.81 -ATOM 3231 C GLU F 459 11.366 47.695 -33.339 1.00 84.45 -ATOM 3232 O GLU F 459 12.457 47.635 -33.909 1.00 80.51 -ATOM 3233 CB GLU F 459 10.793 47.543 -30.915 1.00 76.41 -ATOM 3234 CG GLU F 459 10.509 48.221 -29.585 1.00 93.49 -ATOM 3235 CD GLU F 459 10.519 47.245 -28.417 1.00103.31 -ATOM 3236 OE1 GLU F 459 11.553 46.574 -28.211 1.00103.31 -ATOM 3237 OE2 GLU F 459 9.498 47.153 -27.700 1.00103.31 -ATOM 0 H GLU F 459 9.319 49.368 -31.787 1.00 83.09 H new -ATOM 0 HA GLU F 459 12.149 48.971 -31.802 1.00 78.81 H new -ATOM 0 1HB GLU F 459 9.898 46.982 -31.222 1.00 76.41 H new -ATOM 0 2HB GLU F 459 11.599 46.809 -30.771 1.00 76.41 H new -ATOM 0 1HG GLU F 459 11.260 49.005 -29.409 1.00 93.49 H new -ATOM 0 2HG GLU F 459 9.530 48.719 -29.633 1.00 93.49 H new -ATOM 3238 N ASN F 460 10.280 47.076 -33.787 1.00 82.78 -ATOM 3239 CA ASN F 460 10.311 46.236 -34.975 1.00 66.26 -ATOM 3240 C ASN F 460 10.516 47.037 -36.243 1.00 72.59 -ATOM 3241 O ASN F 460 11.162 46.572 -37.178 1.00 56.49 -ATOM 3242 CB ASN F 460 9.001 45.466 -35.109 1.00 70.13 -ATOM 3243 CG ASN F 460 8.906 44.303 -34.153 1.00 94.70 -ATOM 3244 OD1 ASN F 460 9.749 44.303 -33.124 1.00103.31 flip -ATOM 3245 ND2 ASN F 460 8.081 43.409 -34.337 1.00100.77 flip -ATOM 0 H ASN F 460 9.382 47.140 -33.351 1.00 82.78 H new -ATOM 0 HA ASN F 460 11.161 45.549 -34.850 1.00 66.26 H new -ATOM 0 1HB ASN F 460 8.159 46.151 -34.931 1.00 70.13 H new -ATOM 0 2HB ASN F 460 8.902 45.096 -36.140 1.00 70.13 H new -ATOM 0 1HD2 ASN F 460 8.025 42.641 -33.699 1.00100.77 H new -ATOM 0 2HD2 ASN F 460 7.467 43.450 -35.125 1.00100.77 H new -ATOM 3246 N GLY F 461 9.956 48.242 -36.269 1.00 70.57 -ATOM 3247 CA GLY F 461 9.823 48.989 -37.503 1.00 65.42 -ATOM 3248 C GLY F 461 8.673 48.388 -38.287 1.00 62.18 -ATOM 3249 O GLY F 461 8.668 48.390 -39.515 1.00 76.80 -ATOM 0 H GLY F 461 9.595 48.709 -35.461 1.00 70.57 H new -ATOM 0 1HA GLY F 461 9.632 50.051 -37.292 1.00 65.42 H new -ATOM 0 2HA GLY F 461 10.755 48.939 -38.086 1.00 65.42 H new -ATOM 3250 N GLN F 462 7.695 47.862 -37.558 1.00 52.79 -ATOM 3251 CA GLN F 462 6.576 47.142 -38.153 1.00 58.99 -ATOM 3252 C GLN F 462 5.248 47.844 -37.921 1.00 56.86 -ATOM 3253 O GLN F 462 5.098 48.631 -36.987 1.00 53.25 -ATOM 3254 CB GLN F 462 6.486 45.731 -37.570 1.00 53.38 -ATOM 3255 CG GLN F 462 7.680 44.853 -37.858 1.00 64.27 -ATOM 3256 CD GLN F 462 7.756 44.426 -39.310 1.00 82.49 -ATOM 3257 OE1 GLN F 462 8.023 45.380 -40.202 1.00 93.73 flip -ATOM 3258 NE2 GLN F 462 7.572 43.251 -39.628 1.00 67.74 flip -ATOM 0 H GLN F 462 7.657 47.921 -36.561 1.00 52.79 H new -ATOM 0 HA GLN F 462 6.766 47.104 -39.236 1.00 58.99 H new -ATOM 0 1HB GLN F 462 6.358 45.807 -36.480 1.00 53.38 H new -ATOM 0 2HB GLN F 462 5.584 45.242 -37.967 1.00 53.38 H new -ATOM 0 1HG GLN F 462 8.600 45.393 -37.590 1.00 64.27 H new -ATOM 0 2HG GLN F 462 7.635 43.959 -37.219 1.00 64.27 H new -ATOM 0 1HE2 GLN F 462 7.620 42.980 -40.589 1.00 67.74 H new -ATOM 0 2HE2 GLN F 462 7.374 42.568 -38.925 1.00 67.74 H new -ATOM 3259 N MET F 463 4.277 47.533 -38.770 1.00 57.77 -ATOM 3260 CA MET F 463 2.924 48.036 -38.604 1.00 45.19 -ATOM 3261 C MET F 463 2.177 47.172 -37.583 1.00 53.34 -ATOM 3262 O MET F 463 2.220 45.939 -37.653 1.00 43.73 -ATOM 3263 CB MET F 463 2.198 48.014 -39.944 1.00 33.49 -ATOM 3264 CG MET F 463 1.410 49.261 -40.211 1.00 54.65 -ATOM 3265 SD MET F 463 2.458 50.718 -40.029 1.00 51.14 -ATOM 3266 CE MET F 463 1.203 51.978 -40.006 1.00 26.18 -ATOM 0 H MET F 463 4.402 46.943 -39.568 1.00 57.77 H new -ATOM 0 HA MET F 463 2.961 49.072 -38.237 1.00 45.19 H new -ATOM 0 1HB MET F 463 2.934 47.874 -40.750 1.00 33.49 H new -ATOM 0 2HB MET F 463 1.521 47.147 -39.972 1.00 33.49 H new -ATOM 0 1HG MET F 463 0.991 49.227 -41.227 1.00 54.65 H new -ATOM 0 2HG MET F 463 0.561 49.322 -39.514 1.00 54.65 H new -ATOM 0 1HE MET F 463 1.406 52.713 -40.799 1.00 26.18 H new -ATOM 0 2HE MET F 463 0.218 51.519 -40.177 1.00 26.18 H new -ATOM 0 3HE MET F 463 1.207 52.483 -39.029 1.00 26.18 H new -ATOM 3267 N THR F 464 1.502 47.823 -36.638 1.00 34.89 -ATOM 3268 CA THR F 464 0.753 47.129 -35.589 1.00 45.92 -ATOM 3269 C THR F 464 -0.691 46.891 -36.013 1.00 40.37 -ATOM 3270 O THR F 464 -1.438 46.163 -35.360 1.00 41.75 -ATOM 3271 CB THR F 464 0.706 47.971 -34.298 1.00 48.72 -ATOM 3272 OG1 THR F 464 1.935 48.692 -34.152 1.00 60.35 -ATOM 3273 CG2 THR F 464 0.484 47.083 -33.088 1.00 57.47 -ATOM 0 H THR F 464 1.459 48.820 -36.578 1.00 34.89 H new -ATOM 0 HA THR F 464 1.269 46.173 -35.415 1.00 45.92 H new -ATOM 0 HB THR F 464 -0.132 48.680 -34.368 1.00 48.72 H new -ATOM 0 HG1 THR F 464 1.953 49.455 -34.798 1.00 60.35 H new -ATOM 0 1HG2 THR F 464 0.454 47.702 -32.179 1.00 57.47 H new -ATOM 0 2HG2 THR F 464 -0.469 46.545 -33.197 1.00 57.47 H new -ATOM 0 3HG2 THR F 464 1.307 46.357 -33.009 1.00 57.47 H new -ATOM 3274 N LYS F 465 -1.078 47.531 -37.107 1.00 37.10 -ATOM 3275 CA LYS F 465 -2.457 47.538 -37.549 1.00 24.43 -ATOM 3276 C LYS F 465 -2.479 47.645 -39.075 1.00 36.73 -ATOM 3277 O LYS F 465 -1.498 48.050 -39.702 1.00 30.44 -ATOM 3278 CB LYS F 465 -3.175 48.733 -36.925 1.00 39.39 -ATOM 3279 CG LYS F 465 -4.671 48.678 -36.999 1.00 38.98 -ATOM 3280 CD LYS F 465 -5.238 48.248 -35.676 1.00 56.76 -ATOM 3281 CE LYS F 465 -5.090 49.356 -34.659 1.00 43.92 -ATOM 3282 NZ LYS F 465 -5.766 48.977 -33.392 1.00 42.56 -ATOM 0 H LYS F 465 -0.457 48.047 -37.697 1.00 37.10 H new -ATOM 0 HA LYS F 465 -2.967 46.614 -37.240 1.00 24.43 H new -ATOM 0 1HB LYS F 465 -2.877 48.811 -35.869 1.00 39.39 H new -ATOM 0 2HB LYS F 465 -2.831 49.651 -37.425 1.00 39.39 H new -ATOM 0 1HG LYS F 465 -5.069 49.666 -37.274 1.00 38.98 H new -ATOM 0 2HG LYS F 465 -4.982 47.975 -37.786 1.00 38.98 H new -ATOM 0 1HD LYS F 465 -6.300 47.986 -35.792 1.00 56.76 H new -ATOM 0 2HD LYS F 465 -4.720 47.344 -35.323 1.00 56.76 H new -ATOM 0 1HE LYS F 465 -4.024 49.553 -34.471 1.00 43.92 H new -ATOM 0 2HE LYS F 465 -5.525 50.287 -35.052 1.00 43.92 H new -ATOM 0 1HZ LYS F 465 -5.453 49.575 -32.655 1.00 42.56 H + new -ATOM 0 2HZ LYS F 465 -6.756 49.072 -33.500 1.00 42.56 H + new -ATOM 0 3HZ LYS F 465 -5.545 48.028 -33.167 1.00 42.56 H + new -ATOM 3283 N LYS F 466 -3.596 47.272 -39.677 1.00 33.27 -ATOM 3284 CA LYS F 466 -3.720 47.341 -41.123 1.00 21.48 -ATOM 3285 C LYS F 466 -4.977 48.109 -41.487 1.00 23.49 -ATOM 3286 O LYS F 466 -5.948 48.127 -40.720 1.00 19.26 -ATOM 3287 CB LYS F 466 -3.764 45.932 -41.728 1.00 23.45 -ATOM 3288 CG LYS F 466 -2.381 45.297 -41.909 1.00 45.06 -ATOM 3289 CD LYS F 466 -1.436 46.216 -42.705 1.00 54.49 -ATOM 3290 CE LYS F 466 0.006 45.694 -42.687 1.00 62.25 -ATOM 3291 NZ LYS F 466 0.976 46.544 -43.451 1.00 53.88 -ATOM 0 H LYS F 466 -4.406 46.928 -39.202 1.00 33.27 H new -ATOM 0 HA LYS F 466 -2.843 47.863 -41.533 1.00 21.48 H new -ATOM 0 1HB LYS F 466 -4.374 45.284 -41.081 1.00 23.45 H new -ATOM 0 2HB LYS F 466 -4.268 45.977 -42.705 1.00 23.45 H new -ATOM 0 1HG LYS F 466 -1.942 45.083 -40.923 1.00 45.06 H new -ATOM 0 2HG LYS F 466 -2.484 44.334 -42.431 1.00 45.06 H new -ATOM 0 1HD LYS F 466 -1.787 46.292 -43.745 1.00 54.49 H new -ATOM 0 2HD LYS F 466 -1.465 47.230 -42.280 1.00 54.49 H new -ATOM 0 1HE LYS F 466 0.344 45.620 -41.643 1.00 62.25 H new -ATOM 0 2HE LYS F 466 0.021 44.676 -43.103 1.00 62.25 H new -ATOM 0 1HZ LYS F 466 1.890 46.142 -43.393 1.00 53.88 H + new -ATOM 0 2HZ LYS F 466 0.694 46.594 -44.409 1.00 53.88 H + new -ATOM 0 3HZ LYS F 466 0.992 47.465 -43.061 1.00 53.88 H + new -ATOM 3292 N VAL F 467 -4.959 48.757 -42.646 1.00 13.79 -ATOM 3293 CA VAL F 467 -6.151 49.441 -43.117 1.00 14.95 -ATOM 3294 C VAL F 467 -7.266 48.435 -43.317 1.00 13.87 -ATOM 3295 O VAL F 467 -7.071 47.375 -43.906 1.00 13.26 -ATOM 3296 CB VAL F 467 -5.910 50.201 -44.414 1.00 12.40 -ATOM 3297 CG1 VAL F 467 -7.213 50.748 -44.941 1.00 11.28 -ATOM 3298 CG2 VAL F 467 -4.915 51.310 -44.179 1.00 13.37 -ATOM 0 H VAL F 467 -4.166 48.820 -43.251 1.00 13.79 H new -ATOM 0 HA VAL F 467 -6.433 50.179 -42.351 1.00 14.95 H new -ATOM 0 HB VAL F 467 -5.495 49.516 -45.168 1.00 12.40 H new -ATOM 0 1HG1 VAL F 467 -7.030 51.295 -45.877 1.00 11.28 H new -ATOM 0 2HG1 VAL F 467 -7.909 49.918 -45.132 1.00 11.28 H new -ATOM 0 3HG1 VAL F 467 -7.652 51.430 -44.198 1.00 11.28 H new -ATOM 0 1HG2 VAL F 467 -4.745 51.856 -45.119 1.00 13.37 H new -ATOM 0 2HG2 VAL F 467 -5.309 52.002 -43.420 1.00 13.37 H new -ATOM 0 3HG2 VAL F 467 -3.965 50.882 -43.827 1.00 13.37 H new -ATOM 3299 N THR F 468 -8.447 48.787 -42.836 1.00 16.88 -ATOM 3300 CA THR F 468 -9.514 47.824 -42.722 1.00 10.15 -ATOM 3301 C THR F 468 -10.847 48.397 -43.199 1.00 8.24 -ATOM 3302 O THR F 468 -11.792 47.666 -43.493 1.00 14.21 -ATOM 3303 CB THR F 468 -9.571 47.336 -41.272 1.00 17.88 -ATOM 3304 OG1 THR F 468 -9.537 45.905 -41.254 1.00 18.52 -ATOM 3305 CG2 THR F 468 -10.784 47.890 -40.525 1.00 10.82 -ATOM 0 H THR F 468 -8.679 49.710 -42.528 1.00 16.88 H new -ATOM 0 HA THR F 468 -9.313 46.966 -43.380 1.00 10.15 H new -ATOM 0 HB THR F 468 -8.690 47.719 -40.736 1.00 17.88 H new -ATOM 0 HG1 THR F 468 -9.572 45.582 -40.308 1.00 18.52 H new -ATOM 0 1HG2 THR F 468 -10.782 47.513 -39.492 1.00 10.82 H new -ATOM 0 2HG2 THR F 468 -10.738 48.989 -40.514 1.00 10.82 H new -ATOM 0 3HG2 THR F 468 -11.706 47.567 -41.031 1.00 10.82 H new -ATOM 3306 N ILE F 469 -10.907 49.713 -43.302 1.00 8.25 -ATOM 3307 CA ILE F 469 -12.099 50.383 -43.776 1.00 9.15 -ATOM 3308 C ILE F 469 -11.721 51.305 -44.922 1.00 10.51 -ATOM 3309 O ILE F 469 -10.670 51.950 -44.891 1.00 15.45 -ATOM 3310 CB ILE F 469 -12.758 51.183 -42.641 1.00 9.36 -ATOM 3311 CG1 ILE F 469 -13.163 50.236 -41.501 1.00 12.25 -ATOM 3312 CG2 ILE F 469 -13.967 51.918 -43.150 1.00 9.30 -ATOM 3313 CD1 ILE F 469 -13.788 50.921 -40.279 1.00 11.34 -ATOM 0 H ILE F 469 -10.154 50.327 -43.066 1.00 8.25 H new -ATOM 0 HA ILE F 469 -12.824 49.634 -44.127 1.00 9.15 H new -ATOM 0 HB ILE F 469 -12.033 51.918 -42.261 1.00 9.36 H new -ATOM 0 1HG1 ILE F 469 -13.878 49.498 -41.894 1.00 12.25 H new -ATOM 0 2HG1 ILE F 469 -12.273 49.679 -41.174 1.00 12.25 H new -ATOM 0 1HG2 ILE F 469 -14.426 52.485 -42.326 1.00 9.30 H new -ATOM 0 2HG2 ILE F 469 -13.666 52.612 -43.948 1.00 9.30 H new -ATOM 0 3HG2 ILE F 469 -14.695 51.196 -43.548 1.00 9.30 H new -ATOM 0 1HD1 ILE F 469 -14.042 50.163 -39.523 1.00 11.34 H new -ATOM 0 2HD1 ILE F 469 -13.070 51.637 -39.853 1.00 11.34 H new -ATOM 0 3HD1 ILE F 469 -14.701 51.454 -40.584 1.00 11.34 H new -ATOM 3314 N ALA F 470 -12.556 51.354 -45.949 1.00 6.89 -ATOM 3315 CA ALA F 470 -12.218 52.160 -47.116 1.00 7.15 -ATOM 3316 C ALA F 470 -13.384 53.000 -47.574 1.00 9.89 -ATOM 3317 O ALA F 470 -14.506 52.506 -47.748 1.00 8.13 -ATOM 3318 CB ALA F 470 -11.718 51.277 -48.263 1.00 13.14 -ATOM 0 H ALA F 470 -13.430 50.871 -46.001 1.00 6.89 H new -ATOM 0 HA ALA F 470 -11.409 52.842 -46.815 1.00 7.15 H new -ATOM 0 1HB ALA F 470 -11.470 51.907 -49.130 1.00 13.14 H new -ATOM 0 2HB ALA F 470 -10.821 50.729 -47.940 1.00 13.14 H new -ATOM 0 3HB ALA F 470 -12.504 50.560 -48.544 1.00 13.14 H new -ATOM 3319 N ASP F 471 -13.102 54.282 -47.765 1.00 8.32 -ATOM 3320 CA ASP F 471 -14.093 55.224 -48.223 1.00 10.05 -ATOM 3321 C ASP F 471 -13.766 55.548 -49.672 1.00 13.06 -ATOM 3322 O ASP F 471 -12.811 56.258 -49.955 1.00 15.03 -ATOM 3323 CB ASP F 471 -14.028 56.486 -47.351 1.00 17.69 -ATOM 3324 CG ASP F 471 -15.185 57.427 -47.598 1.00 19.92 -ATOM 3325 OD1 ASP F 471 -16.114 57.038 -48.345 1.00 19.61 -ATOM 3326 OD2 ASP F 471 -15.165 58.552 -47.044 1.00 26.40 -ATOM 0 H ASP F 471 -12.199 54.681 -47.608 1.00 8.32 H new -ATOM 0 HA ASP F 471 -15.111 54.813 -48.150 1.00 10.05 H new -ATOM 0 1HB ASP F 471 -14.019 56.194 -46.291 1.00 17.69 H new -ATOM 0 2HB ASP F 471 -13.083 57.014 -47.547 1.00 17.69 H new -ATOM 3327 N ILE F 472 -14.559 55.021 -50.594 1.00 15.50 -ATOM 3328 CA ILE F 472 -14.237 55.142 -52.011 1.00 12.85 -ATOM 3329 C ILE F 472 -14.826 56.425 -52.582 1.00 16.33 -ATOM 3330 O ILE F 472 -16.042 56.567 -52.690 1.00 17.99 -ATOM 3331 CB ILE F 472 -14.752 53.925 -52.808 1.00 12.47 -ATOM 3332 CG1 ILE F 472 -14.253 52.619 -52.182 1.00 11.94 -ATOM 3333 CG2 ILE F 472 -14.359 54.033 -54.275 1.00 10.41 -ATOM 3334 CD1 ILE F 472 -12.749 52.570 -51.920 1.00 7.71 -ATOM 0 H ILE F 472 -15.402 54.522 -50.396 1.00 15.50 H new -ATOM 0 HA ILE F 472 -13.142 55.176 -52.105 1.00 12.85 H new -ATOM 0 HB ILE F 472 -15.851 53.917 -52.762 1.00 12.47 H new -ATOM 0 1HG1 ILE F 472 -14.782 52.459 -51.231 1.00 11.94 H new -ATOM 0 2HG1 ILE F 472 -14.523 51.784 -52.845 1.00 11.94 H new -ATOM 0 1HG2 ILE F 472 -14.736 53.156 -54.822 1.00 10.41 H new -ATOM 0 2HG2 ILE F 472 -14.793 54.947 -54.705 1.00 10.41 H new -ATOM 0 3HG2 ILE F 472 -13.263 54.073 -54.359 1.00 10.41 H new -ATOM 0 1HD1 ILE F 472 -12.486 51.600 -51.472 1.00 7.71 H new -ATOM 0 2HD1 ILE F 472 -12.207 52.695 -52.869 1.00 7.71 H new -ATOM 0 3HD1 ILE F 472 -12.470 53.380 -51.230 1.00 7.71 H new -ATOM 3335 N GLY F 473 -13.963 57.358 -52.961 1.00 15.58 -ATOM 3336 CA GLY F 473 -14.420 58.695 -53.309 1.00 10.16 -ATOM 3337 C GLY F 473 -14.777 59.457 -52.043 1.00 15.68 -ATOM 3338 O GLY F 473 -15.923 59.855 -51.841 1.00 26.11 -ATOM 0 H GLY F 473 -12.975 57.219 -53.033 1.00 15.58 H new -ATOM 0 1HA GLY F 473 -13.634 59.230 -53.862 1.00 10.16 H new -ATOM 0 2HA GLY F 473 -15.296 58.634 -53.972 1.00 10.16 H new -ATOM 3339 N CYS F 474 -13.783 59.653 -51.183 1.00 16.24 -ATOM 3340 CA CYS F 474 -14.013 60.227 -49.870 1.00 18.29 -ATOM 3341 C CYS F 474 -14.296 61.727 -49.929 1.00 31.86 -ATOM 3342 O CYS F 474 -14.712 62.324 -48.934 1.00 30.81 -ATOM 3343 CB CYS F 474 -12.835 59.929 -48.931 1.00 14.99 -ATOM 3344 SG CYS F 474 -11.271 60.644 -49.415 1.00 21.97 -ATOM 0 H CYS F 474 -12.828 59.425 -51.373 1.00 16.24 H new -ATOM 0 HA CYS F 474 -14.917 59.748 -49.465 1.00 18.29 H new -ATOM 0 1HB CYS F 474 -13.089 60.293 -47.924 1.00 14.99 H new -ATOM 0 2HB CYS F 474 -12.713 58.838 -48.858 1.00 14.99 H new -ATOM 0 HG CYS F 474 -10.369 60.360 -48.523 1.00 21.97 H new -ATOM 3345 N GLY F 475 -14.078 62.336 -51.091 1.00 28.97 -ATOM 3346 CA GLY F 475 -14.296 63.764 -51.234 1.00 32.84 -ATOM 3347 C GLY F 475 -13.542 64.553 -50.174 1.00 34.87 -ATOM 3348 O GLY F 475 -12.342 64.332 -49.959 1.00 24.25 -ATOM 0 H GLY F 475 -13.761 61.875 -51.920 1.00 28.97 H new -ATOM 0 1HA GLY F 475 -13.971 64.088 -52.234 1.00 32.84 H new -ATOM 0 2HA GLY F 475 -15.372 63.981 -51.159 1.00 32.84 H new -ATOM 3349 N PHE F 476 -14.238 65.459 -49.493 1.00 21.63 -ATOM 3350 CA PHE F 476 -13.566 66.315 -48.521 1.00 28.64 -ATOM 3351 C PHE F 476 -13.345 65.669 -47.157 1.00 31.26 -ATOM 3352 O PHE F 476 -12.912 66.326 -46.219 1.00 28.97 -ATOM 3353 CB PHE F 476 -14.248 67.686 -48.420 1.00 25.67 -ATOM 3354 CG PHE F 476 -14.032 68.533 -49.634 1.00 33.17 -ATOM 3355 CD1 PHE F 476 -15.004 68.630 -50.606 1.00 31.30 -ATOM 3356 CD2 PHE F 476 -12.826 69.180 -49.833 1.00 29.99 -ATOM 3357 CE1 PHE F 476 -14.794 69.378 -51.736 1.00 27.74 -ATOM 3358 CE2 PHE F 476 -12.610 69.928 -50.970 1.00 29.19 -ATOM 3359 CZ PHE F 476 -13.597 70.030 -51.917 1.00 31.63 -ATOM 0 H PHE F 476 -15.221 65.614 -49.590 1.00 21.63 H new -ATOM 0 HA PHE F 476 -12.550 66.471 -48.914 1.00 28.64 H new -ATOM 0 1HB PHE F 476 -15.328 67.543 -48.266 1.00 25.67 H new -ATOM 0 2HB PHE F 476 -13.865 68.216 -47.536 1.00 25.67 H new -ATOM 0 HD1 PHE F 476 -15.959 68.101 -50.474 1.00 31.30 H new -ATOM 0 HD2 PHE F 476 -12.032 69.097 -49.077 1.00 29.99 H new -ATOM 0 HE1 PHE F 476 -15.583 69.456 -52.498 1.00 27.74 H new -ATOM 0 HE2 PHE F 476 -11.649 70.442 -51.118 1.00 29.19 H new -ATOM 0 HZ PHE F 476 -13.431 70.634 -52.822 1.00 31.63 H new -ATOM 3360 N GLY F 477 -13.618 64.374 -47.059 1.00 24.35 -ATOM 3361 CA GLY F 477 -13.247 63.623 -45.870 1.00 27.97 -ATOM 3362 C GLY F 477 -14.215 63.607 -44.691 1.00 16.96 -ATOM 3363 O GLY F 477 -13.853 63.163 -43.602 1.00 19.84 -ATOM 0 H GLY F 477 -14.080 63.839 -47.766 1.00 24.35 H new -ATOM 0 1HA GLY F 477 -13.071 62.580 -46.173 1.00 27.97 H new -ATOM 0 2HA GLY F 477 -12.286 64.019 -45.509 1.00 27.97 H new -ATOM 3364 N GLY F 478 -15.444 64.064 -44.906 1.00 18.84 -ATOM 3365 CA GLY F 478 -16.406 64.191 -43.825 1.00 17.08 -ATOM 3366 C GLY F 478 -16.700 62.861 -43.160 1.00 23.16 -ATOM 3367 O GLY F 478 -16.543 62.708 -41.947 1.00 23.53 -ATOM 0 H GLY F 478 -15.787 64.346 -45.802 1.00 18.84 H new -ATOM 0 1HA GLY F 478 -16.020 64.897 -43.075 1.00 17.08 H new -ATOM 0 2HA GLY F 478 -17.341 64.617 -44.217 1.00 17.08 H new -ATOM 3368 N LEU F 479 -17.108 61.891 -43.970 1.00 27.84 -ATOM 3369 CA LEU F 479 -17.447 60.574 -43.472 1.00 18.06 -ATOM 3370 C LEU F 479 -16.301 59.982 -42.687 1.00 22.29 -ATOM 3371 O LEU F 479 -16.512 59.342 -41.657 1.00 21.86 -ATOM 3372 CB LEU F 479 -17.832 59.639 -44.605 1.00 13.53 -ATOM 3373 CG LEU F 479 -18.308 58.271 -44.113 1.00 27.94 -ATOM 3374 CD1 LEU F 479 -19.606 58.401 -43.363 1.00 30.05 -ATOM 3375 CD2 LEU F 479 -18.466 57.304 -45.273 1.00 24.58 -ATOM 0 H LEU F 479 -17.209 61.996 -44.959 1.00 27.84 H new -ATOM 0 HA LEU F 479 -18.313 60.689 -42.804 1.00 18.06 H new -ATOM 0 1HB LEU F 479 -18.629 60.105 -45.203 1.00 13.53 H new -ATOM 0 2HB LEU F 479 -16.967 59.503 -45.271 1.00 13.53 H new -ATOM 0 HG LEU F 479 -17.545 57.871 -43.429 1.00 27.94 H new -ATOM 0 1HD1 LEU F 479 -19.932 57.409 -43.018 1.00 30.05 H new -ATOM 0 2HD1 LEU F 479 -19.464 59.062 -42.495 1.00 30.05 H new -ATOM 0 3HD1 LEU F 479 -20.373 58.827 -44.027 1.00 30.05 H new -ATOM 0 1HD2 LEU F 479 -18.808 56.330 -44.895 1.00 24.58 H new -ATOM 0 2HD2 LEU F 479 -19.205 57.701 -45.984 1.00 24.58 H new -ATOM 0 3HD2 LEU F 479 -17.499 57.180 -45.782 1.00 24.58 H new -ATOM 3376 N MET F 480 -15.083 60.187 -43.168 1.00 16.32 -ATOM 3377 CA MET F 480 -13.926 59.692 -42.434 1.00 22.32 -ATOM 3378 C MET F 480 -13.866 60.307 -41.046 1.00 25.62 -ATOM 3379 O MET F 480 -13.752 59.584 -40.054 1.00 23.18 -ATOM 3380 CB MET F 480 -12.632 59.950 -43.190 1.00 20.81 -ATOM 3381 CG MET F 480 -12.348 58.933 -44.264 1.00 25.68 -ATOM 3382 SD MET F 480 -10.647 59.079 -44.812 1.00 36.74 -ATOM 3383 CE MET F 480 -10.727 60.661 -45.644 1.00 14.39 -ATOM 0 H MET F 480 -14.876 60.668 -44.020 1.00 16.32 H new -ATOM 0 HA MET F 480 -14.041 58.603 -42.330 1.00 22.32 H new -ATOM 0 1HB MET F 480 -12.677 60.950 -43.646 1.00 20.81 H new -ATOM 0 2HB MET F 480 -11.796 59.960 -42.476 1.00 20.81 H new -ATOM 0 1HG MET F 480 -12.533 57.919 -43.879 1.00 25.68 H new -ATOM 0 2HG MET F 480 -13.030 59.084 -45.114 1.00 25.68 H new -ATOM 0 1HE MET F 480 -9.958 60.702 -46.429 1.00 14.39 H new -ATOM 0 2HE MET F 480 -11.721 60.787 -46.098 1.00 14.39 H new -ATOM 0 3HE MET F 480 -10.552 61.468 -44.917 1.00 14.39 H new -ATOM 3384 N ILE F 481 -13.977 61.635 -40.973 1.00 25.83 -ATOM 3385 CA ILE F 481 -13.938 62.328 -39.687 1.00 19.12 -ATOM 3386 C ILE F 481 -14.914 61.718 -38.681 1.00 15.68 -ATOM 3387 O ILE F 481 -14.562 61.504 -37.529 1.00 19.99 -ATOM 3388 CB ILE F 481 -14.236 63.832 -39.817 1.00 31.51 -ATOM 3389 CG1 ILE F 481 -13.369 64.462 -40.904 1.00 28.35 -ATOM 3390 CG2 ILE F 481 -13.995 64.527 -38.478 1.00 19.46 -ATOM 3391 CD1 ILE F 481 -11.907 64.185 -40.735 1.00 24.90 -ATOM 0 H ILE F 481 -14.091 62.234 -41.766 1.00 25.83 H new -ATOM 0 HA ILE F 481 -12.909 62.203 -39.320 1.00 19.12 H new -ATOM 0 HB ILE F 481 -15.291 63.958 -40.102 1.00 31.51 H new -ATOM 0 1HG1 ILE F 481 -13.694 64.087 -41.885 1.00 28.35 H new -ATOM 0 2HG1 ILE F 481 -13.530 65.550 -40.906 1.00 28.35 H new -ATOM 0 1HG2 ILE F 481 -14.210 65.601 -38.578 1.00 19.46 H new -ATOM 0 2HG2 ILE F 481 -14.655 64.091 -37.714 1.00 19.46 H new -ATOM 0 3HG2 ILE F 481 -12.946 64.390 -38.177 1.00 19.46 H new -ATOM 0 1HD1 ILE F 481 -11.346 64.667 -41.549 1.00 24.90 H new -ATOM 0 2HD1 ILE F 481 -11.567 64.585 -39.769 1.00 24.90 H new -ATOM 0 3HD1 ILE F 481 -11.733 63.099 -40.763 1.00 24.90 H new -ATOM 3392 N ASP F 482 -16.134 61.436 -39.135 1.00 18.47 -ATOM 3393 CA ASP F 482 -17.170 60.842 -38.289 1.00 16.97 -ATOM 3394 C ASP F 482 -16.906 59.371 -37.957 1.00 27.60 -ATOM 3395 O ASP F 482 -17.318 58.885 -36.911 1.00 38.47 -ATOM 3396 CB ASP F 482 -18.541 60.975 -38.954 1.00 26.65 -ATOM 3397 CG ASP F 482 -18.990 62.417 -39.082 1.00 44.16 -ATOM 3398 OD1 ASP F 482 -18.368 63.298 -38.442 1.00 39.49 -ATOM 3399 OD2 ASP F 482 -19.968 62.664 -39.825 1.00 44.90 -ATOM 0 H ASP F 482 -16.426 61.608 -40.076 1.00 18.47 H new -ATOM 0 HA ASP F 482 -17.151 61.399 -37.341 1.00 16.97 H new -ATOM 0 1HB ASP F 482 -18.506 60.516 -39.953 1.00 26.65 H new -ATOM 0 2HB ASP F 482 -19.284 60.414 -38.368 1.00 26.65 H new -ATOM 3400 N LEU F 483 -16.229 58.657 -38.845 1.00 18.45 -ATOM 3401 CA LEU F 483 -15.946 57.265 -38.589 1.00 13.15 -ATOM 3402 C LEU F 483 -14.818 57.167 -37.583 1.00 15.30 -ATOM 3403 O LEU F 483 -14.749 56.212 -36.819 1.00 18.68 -ATOM 3404 CB LEU F 483 -15.551 56.537 -39.886 1.00 22.06 -ATOM 3405 CG LEU F 483 -16.687 56.291 -40.879 1.00 23.51 -ATOM 3406 CD1 LEU F 483 -16.156 55.801 -42.202 1.00 19.80 -ATOM 3407 CD2 LEU F 483 -17.692 55.311 -40.305 1.00 15.48 -ATOM 0 H LEU F 483 -15.881 59.009 -39.714 1.00 18.45 H new -ATOM 0 HA LEU F 483 -16.851 56.785 -38.189 1.00 13.15 H new -ATOM 0 1HB LEU F 483 -14.768 57.123 -40.390 1.00 22.06 H new -ATOM 0 2HB LEU F 483 -15.105 55.567 -39.619 1.00 22.06 H new -ATOM 0 HG LEU F 483 -17.198 57.249 -41.057 1.00 23.51 H new -ATOM 0 1HD1 LEU F 483 -16.994 55.633 -42.895 1.00 19.80 H new -ATOM 0 2HD1 LEU F 483 -15.476 56.554 -42.626 1.00 19.80 H new -ATOM 0 3HD1 LEU F 483 -15.610 54.858 -42.052 1.00 19.80 H new -ATOM 0 1HD2 LEU F 483 -18.501 55.146 -41.032 1.00 15.48 H new -ATOM 0 2HD2 LEU F 483 -17.192 54.355 -40.091 1.00 15.48 H new -ATOM 0 3HD2 LEU F 483 -18.113 55.720 -39.375 1.00 15.48 H new -ATOM 3408 N SER F 484 -13.931 58.154 -37.579 1.00 10.32 -ATOM 3409 CA SER F 484 -12.693 58.039 -36.809 1.00 16.12 -ATOM 3410 C SER F 484 -12.875 57.605 -35.353 1.00 29.47 -ATOM 3411 O SER F 484 -12.261 56.625 -34.918 1.00 31.58 -ATOM 3412 CB SER F 484 -11.890 59.337 -36.868 1.00 17.47 -ATOM 3413 OG SER F 484 -10.585 59.116 -36.357 1.00 21.50 -ATOM 0 H SER F 484 -14.037 59.013 -38.080 1.00 10.32 H new -ATOM 0 HA SER F 484 -12.138 57.225 -37.297 1.00 16.12 H new -ATOM 0 1HB SER F 484 -12.396 60.120 -36.284 1.00 17.47 H new -ATOM 0 2HB SER F 484 -11.832 59.697 -37.906 1.00 17.47 H new -ATOM 0 HG SER F 484 -10.211 58.276 -36.750 1.00 21.50 H new -ATOM 3414 N PRO F 485 -13.709 58.339 -34.591 1.00 27.39 -ATOM 3415 CA PRO F 485 -13.904 58.036 -33.173 1.00 16.22 -ATOM 3416 C PRO F 485 -14.855 56.866 -32.957 1.00 23.33 -ATOM 3417 O PRO F 485 -14.826 56.231 -31.903 1.00 23.69 -ATOM 3418 CB PRO F 485 -14.535 59.331 -32.661 1.00 17.40 -ATOM 3419 CG PRO F 485 -15.417 59.717 -33.783 1.00 19.08 -ATOM 3420 CD PRO F 485 -14.468 59.551 -34.963 1.00 28.17 -ATOM 0 HA PRO F 485 -12.973 57.742 -32.666 1.00 16.22 H new -ATOM 0 1HB PRO F 485 -15.100 59.172 -31.731 1.00 17.40 H new -ATOM 0 2HB PRO F 485 -13.778 60.101 -32.450 1.00 17.40 H new -ATOM 0 1HG PRO F 485 -16.300 59.065 -33.863 1.00 19.08 H new -ATOM 0 2HG PRO F 485 -15.787 60.749 -33.687 1.00 19.08 H new -ATOM 0 1HD PRO F 485 -15.011 59.420 -35.911 1.00 28.17 H new -ATOM 0 2HD PRO F 485 -13.811 60.424 -35.087 1.00 28.17 H new -ATOM 3421 N ALA F 486 -15.686 56.579 -33.949 1.00 24.54 -ATOM 3422 CA ALA F 486 -16.573 55.430 -33.873 1.00 16.71 -ATOM 3423 C ALA F 486 -15.822 54.105 -34.064 1.00 27.36 -ATOM 3424 O ALA F 486 -16.309 53.051 -33.651 1.00 29.50 -ATOM 3425 CB ALA F 486 -17.678 55.561 -34.891 1.00 14.32 -ATOM 0 H ALA F 486 -15.762 57.111 -34.792 1.00 24.54 H new -ATOM 0 HA ALA F 486 -17.008 55.413 -32.863 1.00 16.71 H new -ATOM 0 1HB ALA F 486 -18.343 54.687 -34.825 1.00 14.32 H new -ATOM 0 2HB ALA F 486 -18.255 56.476 -34.691 1.00 14.32 H new -ATOM 0 3HB ALA F 486 -17.243 55.615 -35.900 1.00 14.32 H new -ATOM 3426 N PHE F 487 -14.648 54.150 -34.698 1.00 21.26 -ATOM 3427 CA PHE F 487 -13.881 52.924 -34.942 1.00 25.08 -ATOM 3428 C PHE F 487 -12.403 53.084 -34.639 1.00 22.29 -ATOM 3429 O PHE F 487 -11.563 52.906 -35.514 1.00 18.51 -ATOM 3430 CB PHE F 487 -14.096 52.421 -36.369 1.00 18.20 -ATOM 3431 CG PHE F 487 -15.505 52.013 -36.643 1.00 22.07 -ATOM 3432 CD1 PHE F 487 -16.417 52.923 -37.150 1.00 13.78 -ATOM 3433 CD2 PHE F 487 -15.928 50.725 -36.364 1.00 20.16 -ATOM 3434 CE1 PHE F 487 -17.728 52.552 -37.386 1.00 22.02 -ATOM 3435 CE2 PHE F 487 -17.235 50.346 -36.596 1.00 21.08 -ATOM 3436 CZ PHE F 487 -18.140 51.262 -37.106 1.00 23.38 -ATOM 0 H PHE F 487 -14.222 54.988 -35.040 1.00 21.26 H new -ATOM 0 HA PHE F 487 -14.264 52.168 -34.241 1.00 25.08 H new -ATOM 0 1HB PHE F 487 -13.806 53.211 -37.077 1.00 18.20 H new -ATOM 0 2HB PHE F 487 -13.431 51.564 -36.553 1.00 18.20 H new -ATOM 0 HD1 PHE F 487 -16.095 53.952 -37.367 1.00 13.78 H new -ATOM 0 HD2 PHE F 487 -15.215 49.995 -35.953 1.00 20.16 H new -ATOM 0 HE1 PHE F 487 -18.442 53.282 -37.796 1.00 22.02 H new -ATOM 0 HE2 PHE F 487 -17.557 49.318 -36.376 1.00 21.08 H new -ATOM 0 HZ PHE F 487 -19.183 50.964 -37.288 1.00 23.38 H new -ATOM 3437 N PRO F 488 -12.089 53.394 -33.375 1.00 26.77 -ATOM 3438 CA PRO F 488 -10.756 53.746 -32.875 1.00 26.46 -ATOM 3439 C PRO F 488 -9.763 52.609 -33.029 1.00 19.22 -ATOM 3440 O PRO F 488 -8.563 52.862 -33.088 1.00 26.61 -ATOM 3441 CB PRO F 488 -11.011 54.005 -31.383 1.00 19.96 -ATOM 3442 CG PRO F 488 -12.231 53.186 -31.082 1.00 20.58 -ATOM 3443 CD PRO F 488 -13.084 53.412 -32.287 1.00 31.89 -ATOM 0 HA PRO F 488 -10.321 54.595 -33.422 1.00 26.46 H new -ATOM 0 1HB PRO F 488 -10.154 53.695 -30.767 1.00 19.96 H new -ATOM 0 2HB PRO F 488 -11.182 55.073 -31.182 1.00 19.96 H new -ATOM 0 1HG PRO F 488 -11.986 52.122 -30.949 1.00 20.58 H new -ATOM 0 2HG PRO F 488 -12.730 53.519 -30.160 1.00 20.58 H new -ATOM 0 1HD PRO F 488 -13.842 52.624 -32.409 1.00 31.89 H new -ATOM 0 2HD PRO F 488 -13.622 54.370 -32.237 1.00 31.89 H new -ATOM 3444 N GLU F 489 -10.257 51.376 -33.078 1.00 22.89 -ATOM 3445 CA GLU F 489 -9.390 50.213 -33.273 1.00 42.24 -ATOM 3446 C GLU F 489 -9.054 49.968 -34.762 1.00 35.64 -ATOM 3447 O GLU F 489 -8.197 49.152 -35.085 1.00 38.28 -ATOM 3448 CB GLU F 489 -10.012 48.970 -32.607 1.00 50.66 -ATOM 3449 CG GLU F 489 -9.420 47.612 -33.018 1.00 95.52 -ATOM 3450 CD GLU F 489 -10.299 46.841 -34.013 1.00102.19 -ATOM 3451 OE1 GLU F 489 -9.750 46.053 -34.820 1.00 81.07 -ATOM 3452 OE2 GLU F 489 -11.540 47.016 -33.980 1.00100.56 -ATOM 0 H GLU F 489 -11.229 51.158 -32.988 1.00 22.89 H new -ATOM 0 HA GLU F 489 -8.429 50.423 -32.782 1.00 42.24 H new -ATOM 0 1HB GLU F 489 -9.912 49.075 -31.517 1.00 50.66 H new -ATOM 0 2HB GLU F 489 -11.089 48.960 -32.831 1.00 50.66 H new -ATOM 0 1HG GLU F 489 -8.428 47.773 -33.465 1.00 95.52 H new -ATOM 0 2HG GLU F 489 -9.272 46.997 -32.118 1.00 95.52 H new -ATOM 3453 N ASP F 490 -9.703 50.709 -35.654 1.00 28.66 -ATOM 3454 CA ASP F 490 -9.626 50.442 -37.086 1.00 21.25 -ATOM 3455 C ASP F 490 -8.886 51.513 -37.872 1.00 27.51 -ATOM 3456 O ASP F 490 -9.104 52.708 -37.659 1.00 19.68 -ATOM 3457 CB ASP F 490 -11.033 50.321 -37.668 1.00 20.31 -ATOM 3458 CG ASP F 490 -11.749 49.081 -37.191 1.00 37.71 -ATOM 3459 OD1 ASP F 490 -11.055 48.180 -36.681 1.00 39.67 -ATOM 3460 OD2 ASP F 490 -12.993 49.007 -37.324 1.00 40.06 -ATOM 0 H ASP F 490 -10.281 51.489 -35.413 1.00 28.66 H new -ATOM 0 HA ASP F 490 -9.060 49.504 -37.183 1.00 21.25 H new -ATOM 0 1HB ASP F 490 -11.619 51.209 -37.390 1.00 20.31 H new -ATOM 0 2HB ASP F 490 -10.972 50.306 -38.766 1.00 20.31 H new -ATOM 3461 N LEU F 491 -8.036 51.088 -38.803 1.00 18.67 -ATOM 3462 CA LEU F 491 -7.436 52.042 -39.721 1.00 12.35 -ATOM 3463 C LEU F 491 -8.411 52.278 -40.856 1.00 14.68 -ATOM 3464 O LEU F 491 -8.990 51.337 -41.389 1.00 16.47 -ATOM 3465 CB LEU F 491 -6.091 51.549 -40.227 1.00 19.17 -ATOM 3466 CG LEU F 491 -5.024 51.432 -39.141 1.00 21.89 -ATOM 3467 CD1 LEU F 491 -3.637 51.192 -39.743 1.00 16.32 -ATOM 3468 CD2 LEU F 491 -5.042 52.687 -38.300 1.00 21.94 -ATOM 0 H LEU F 491 -7.761 50.136 -38.935 1.00 18.67 H new -ATOM 0 HA LEU F 491 -7.239 52.992 -39.202 1.00 12.35 H new -ATOM 0 1HB LEU F 491 -6.227 50.565 -40.700 1.00 19.17 H new -ATOM 0 2HB LEU F 491 -5.731 52.235 -41.008 1.00 19.17 H new -ATOM 0 HG LEU F 491 -5.250 50.562 -38.506 1.00 21.89 H new -ATOM 0 1HD1 LEU F 491 -2.895 51.113 -38.935 1.00 16.32 H new -ATOM 0 2HD1 LEU F 491 -3.646 50.259 -40.325 1.00 16.32 H new -ATOM 0 3HD1 LEU F 491 -3.373 52.032 -40.402 1.00 16.32 H new -ATOM 0 1HD2 LEU F 491 -4.276 52.613 -37.514 1.00 21.94 H new -ATOM 0 2HD2 LEU F 491 -4.830 53.559 -38.937 1.00 21.94 H new -ATOM 0 3HD2 LEU F 491 -6.033 52.804 -37.836 1.00 21.94 H new -ATOM 3469 N ILE F 492 -8.617 53.546 -41.192 1.00 15.71 -ATOM 3470 CA ILE F 492 -9.577 53.947 -42.211 1.00 17.78 -ATOM 3471 C ILE F 492 -8.850 54.748 -43.277 1.00 18.34 -ATOM 3472 O ILE F 492 -8.109 55.672 -42.950 1.00 14.20 -ATOM 3473 CB ILE F 492 -10.682 54.825 -41.610 1.00 21.81 -ATOM 3474 CG1 ILE F 492 -11.380 54.089 -40.461 1.00 23.40 -ATOM 3475 CG2 ILE F 492 -11.676 55.256 -42.688 1.00 14.96 -ATOM 3476 CD1 ILE F 492 -12.060 55.014 -39.453 1.00 19.62 -ATOM 0 H ILE F 492 -8.130 54.312 -40.772 1.00 15.71 H new -ATOM 0 HA ILE F 492 -10.035 53.043 -42.638 1.00 17.78 H new -ATOM 0 HB ILE F 492 -10.226 55.737 -41.199 1.00 21.81 H new -ATOM 0 1HG1 ILE F 492 -12.132 53.405 -40.881 1.00 23.40 H new -ATOM 0 2HG1 ILE F 492 -10.640 53.469 -39.933 1.00 23.40 H new -ATOM 0 1HG2 ILE F 492 -12.458 55.883 -42.236 1.00 14.96 H new -ATOM 0 2HG2 ILE F 492 -11.149 55.830 -43.465 1.00 14.96 H new -ATOM 0 3HG2 ILE F 492 -12.137 54.365 -43.140 1.00 14.96 H new -ATOM 0 1HD1 ILE F 492 -12.535 54.412 -38.664 1.00 19.62 H new -ATOM 0 2HD1 ILE F 492 -11.310 55.681 -39.003 1.00 19.62 H new -ATOM 0 3HD1 ILE F 492 -12.825 55.616 -39.965 1.00 19.62 H new -ATOM 3477 N LEU F 493 -9.052 54.382 -44.542 1.00 16.13 -ATOM 3478 CA LEU F 493 -8.408 55.058 -45.668 1.00 7.93 -ATOM 3479 C LEU F 493 -9.466 55.608 -46.609 1.00 15.79 -ATOM 3480 O LEU F 493 -10.454 54.928 -46.915 1.00 17.95 -ATOM 3481 CB LEU F 493 -7.503 54.094 -46.430 1.00 14.75 -ATOM 3482 CG LEU F 493 -6.758 54.630 -47.659 1.00 18.55 -ATOM 3483 CD1 LEU F 493 -5.759 55.728 -47.281 1.00 8.59 -ATOM 3484 CD2 LEU F 493 -6.055 53.487 -48.370 1.00 22.38 -ATOM 0 H LEU F 493 -9.651 53.628 -44.809 1.00 16.13 H new -ATOM 0 HA LEU F 493 -7.795 55.883 -45.275 1.00 7.93 H new -ATOM 0 1HB LEU F 493 -6.754 53.705 -45.724 1.00 14.75 H new -ATOM 0 2HB LEU F 493 -8.116 53.239 -46.753 1.00 14.75 H new -ATOM 0 HG LEU F 493 -7.496 55.082 -48.339 1.00 18.55 H new -ATOM 0 1HD1 LEU F 493 -5.246 56.086 -48.186 1.00 8.59 H new -ATOM 0 2HD1 LEU F 493 -6.294 56.565 -46.809 1.00 8.59 H new -ATOM 0 3HD1 LEU F 493 -5.018 55.323 -46.576 1.00 8.59 H new -ATOM 0 1HD2 LEU F 493 -5.522 53.875 -49.251 1.00 22.38 H new -ATOM 0 2HD2 LEU F 493 -5.335 53.015 -47.685 1.00 22.38 H new -ATOM 0 3HD2 LEU F 493 -6.798 52.742 -48.691 1.00 22.38 H new -ATOM 3485 N GLY F 494 -9.281 56.861 -47.018 1.00 11.22 -ATOM 3486 CA GLY F 494 -10.116 57.465 -48.033 1.00 10.22 -ATOM 3487 C GLY F 494 -9.350 57.550 -49.345 1.00 15.46 -ATOM 3488 O GLY F 494 -8.139 57.810 -49.372 1.00 14.29 -ATOM 0 H GLY F 494 -8.567 57.463 -46.661 1.00 11.22 H new -ATOM 0 1HA GLY F 494 -11.032 56.871 -48.170 1.00 10.22 H new -ATOM 0 2HA GLY F 494 -10.429 58.470 -47.714 1.00 10.22 H new -ATOM 3489 N MET F 495 -10.041 57.322 -50.447 1.00 10.73 -ATOM 3490 CA MET F 495 -9.387 57.451 -51.741 1.00 20.37 -ATOM 3491 C MET F 495 -10.156 58.426 -52.583 1.00 19.03 -ATOM 3492 O MET F 495 -11.394 58.387 -52.635 1.00 13.68 -ATOM 3493 CB MET F 495 -9.269 56.108 -52.464 1.00 15.35 -ATOM 3494 CG MET F 495 -8.145 55.238 -51.944 1.00 35.60 -ATOM 3495 SD MET F 495 -7.874 53.758 -52.950 1.00 60.09 -ATOM 3496 CE MET F 495 -7.802 54.481 -54.585 1.00 11.52 -ATOM 0 H MET F 495 -11.006 57.060 -50.477 1.00 10.73 H new -ATOM 0 HA MET F 495 -8.363 57.817 -51.573 1.00 20.37 H new -ATOM 0 1HB MET F 495 -10.219 55.563 -52.365 1.00 15.35 H new -ATOM 0 2HB MET F 495 -9.113 56.291 -53.537 1.00 15.35 H new -ATOM 0 1HG MET F 495 -7.217 55.828 -51.912 1.00 35.60 H new -ATOM 0 2HG MET F 495 -8.370 54.936 -50.911 1.00 35.60 H new -ATOM 0 1HE MET F 495 -7.264 53.802 -55.263 1.00 11.52 H new -ATOM 0 2HE MET F 495 -8.823 54.641 -54.961 1.00 11.52 H new -ATOM 0 3HE MET F 495 -7.274 55.445 -54.537 1.00 11.52 H new -ATOM 3497 N GLU F 496 -9.406 59.316 -53.219 1.00 12.57 -ATOM 3498 CA GLU F 496 -9.968 60.297 -54.129 1.00 20.65 -ATOM 3499 C GLU F 496 -9.049 60.475 -55.319 1.00 15.52 -ATOM 3500 O GLU F 496 -7.827 60.395 -55.197 1.00 21.22 -ATOM 3501 CB GLU F 496 -10.169 61.644 -53.425 1.00 16.03 -ATOM 3502 CG GLU F 496 -11.608 61.951 -53.112 1.00 25.87 -ATOM 3503 CD GLU F 496 -12.408 62.390 -54.327 1.00 39.74 -ATOM 3504 OE1 GLU F 496 -13.652 62.195 -54.314 1.00 25.40 -ATOM 3505 OE2 GLU F 496 -11.799 62.941 -55.279 1.00 33.12 -ATOM 0 H GLU F 496 -8.413 59.375 -53.119 1.00 12.57 H new -ATOM 0 HA GLU F 496 -10.948 59.933 -54.470 1.00 20.65 H new -ATOM 0 1HB GLU F 496 -9.590 61.649 -52.490 1.00 16.03 H new -ATOM 0 2HB GLU F 496 -9.762 62.445 -54.060 1.00 16.03 H new -ATOM 0 1HG GLU F 496 -12.079 61.058 -52.675 1.00 25.87 H new -ATOM 0 2HG GLU F 496 -11.649 62.743 -52.349 1.00 25.87 H new -ATOM 3506 N ILE F 497 -9.643 60.748 -56.466 1.00 16.80 -ATOM 3507 CA ILE F 497 -8.864 60.912 -57.670 1.00 27.87 -ATOM 3508 C ILE F 497 -8.478 62.380 -57.883 1.00 21.25 -ATOM 3509 O ILE F 497 -7.416 62.663 -58.424 1.00 38.46 -ATOM 3510 CB ILE F 497 -9.594 60.307 -58.885 1.00 24.10 -ATOM 3511 CG1 ILE F 497 -8.598 59.952 -59.984 1.00 29.74 -ATOM 3512 CG2 ILE F 497 -10.694 61.227 -59.360 1.00 30.66 -ATOM 3513 CD1 ILE F 497 -9.009 58.746 -60.794 1.00 38.17 -ATOM 0 H ILE F 497 -10.630 60.857 -56.583 1.00 16.80 H new -ATOM 0 HA ILE F 497 -7.923 60.354 -57.555 1.00 27.87 H new -ATOM 0 HB ILE F 497 -10.081 59.368 -58.584 1.00 24.10 H new -ATOM 0 1HG1 ILE F 497 -8.482 60.815 -60.657 1.00 29.74 H new -ATOM 0 2HG1 ILE F 497 -7.614 59.763 -59.530 1.00 29.74 H new -ATOM 0 1HG2 ILE F 497 -11.201 60.777 -60.226 1.00 30.66 H new -ATOM 0 2HG2 ILE F 497 -11.421 61.380 -58.549 1.00 30.66 H new -ATOM 0 3HG2 ILE F 497 -10.262 62.196 -59.652 1.00 30.66 H new -ATOM 0 1HD1 ILE F 497 -8.251 58.546 -61.565 1.00 38.17 H new -ATOM 0 2HD1 ILE F 497 -9.098 57.872 -60.132 1.00 38.17 H new -ATOM 0 3HD1 ILE F 497 -9.979 58.940 -61.276 1.00 38.17 H new -ATOM 3514 N ARG F 498 -9.327 63.302 -57.436 1.00 30.04 -ATOM 3515 CA ARG F 498 -9.050 64.743 -57.517 1.00 26.27 -ATOM 3516 C ARG F 498 -7.890 65.173 -56.622 1.00 27.57 -ATOM 3517 O ARG F 498 -7.934 65.011 -55.405 1.00 27.15 -ATOM 3518 CB ARG F 498 -10.297 65.552 -57.153 1.00 29.59 -ATOM 3519 CG ARG F 498 -11.428 65.432 -58.151 1.00 29.65 -ATOM 3520 CD ARG F 498 -12.733 65.080 -57.457 1.00 60.94 -ATOM 3521 NE ARG F 498 -13.512 66.259 -57.097 1.00 66.14 -ATOM 3522 CZ ARG F 498 -14.394 66.300 -56.104 1.00 49.44 -ATOM 3523 NH1 ARG F 498 -14.600 65.232 -55.349 1.00 40.95 -ATOM 3524 NH2 ARG F 498 -15.059 67.419 -55.853 1.00 77.98 -ATOM 0 H ARG F 498 -10.208 63.082 -57.016 1.00 30.04 H new -ATOM 0 HA ARG F 498 -8.761 64.945 -58.559 1.00 26.27 H new -ATOM 0 1HB ARG F 498 -10.657 65.225 -56.167 1.00 29.59 H new -ATOM 0 2HB ARG F 498 -10.018 66.612 -57.058 1.00 29.59 H new -ATOM 0 1HG ARG F 498 -11.543 66.380 -58.697 1.00 29.65 H new -ATOM 0 2HG ARG F 498 -11.185 64.660 -58.896 1.00 29.65 H new -ATOM 0 1HD ARG F 498 -13.333 64.436 -58.117 1.00 60.94 H new -ATOM 0 2HD ARG F 498 -12.516 64.497 -56.550 1.00 60.94 H new -ATOM 0 HE ARG F 498 -13.373 67.092 -57.633 1.00 66.14 H + new -ATOM 0 1HH1 ARG F 498 -14.091 64.390 -55.525 1.00 40.95 H + new -ATOM 0 2HH1 ARG F 498 -15.265 65.268 -54.603 1.00 40.95 H + new -ATOM 0 1HH2 ARG F 498 -14.897 68.233 -56.411 1.00 77.98 H + new -ATOM 0 2HH2 ARG F 498 -15.723 67.449 -55.106 1.00 77.98 H + new -ATOM 3525 N VAL F 499 -6.857 65.737 -57.233 1.00 19.89 -ATOM 3526 CA VAL F 499 -5.674 66.161 -56.495 1.00 28.36 -ATOM 3527 C VAL F 499 -5.870 67.343 -55.540 1.00 34.78 -ATOM 3528 O VAL F 499 -5.317 67.344 -54.438 1.00 27.68 -ATOM 3529 CB VAL F 499 -4.449 66.375 -57.429 1.00 48.83 -ATOM 3530 CG1 VAL F 499 -4.820 66.372 -58.912 1.00 46.51 -ATOM 3531 CG2 VAL F 499 -3.560 67.528 -56.978 1.00 30.47 -ATOM 0 H VAL F 499 -6.815 65.908 -58.217 1.00 19.89 H new -ATOM 0 HA VAL F 499 -5.465 65.310 -55.830 1.00 28.36 H new -ATOM 0 HB VAL F 499 -3.806 65.488 -57.323 1.00 48.83 H new -ATOM 0 1HG1 VAL F 499 -3.915 66.527 -59.517 1.00 46.51 H new -ATOM 0 2HG1 VAL F 499 -5.275 65.406 -59.175 1.00 46.51 H new -ATOM 0 3HG1 VAL F 499 -5.538 67.181 -59.113 1.00 46.51 H new -ATOM 0 1HG2 VAL F 499 -2.713 67.632 -57.673 1.00 30.47 H new -ATOM 0 2HG2 VAL F 499 -4.144 68.460 -56.970 1.00 30.47 H new -ATOM 0 3HG2 VAL F 499 -3.180 67.325 -55.966 1.00 30.47 H new -ATOM 3532 N GLN F 500 -6.654 68.342 -55.940 1.00 31.01 -ATOM 3533 CA GLN F 500 -6.908 69.471 -55.042 1.00 41.54 -ATOM 3534 C GLN F 500 -7.623 68.986 -53.793 1.00 34.59 -ATOM 3535 O GLN F 500 -7.287 69.370 -52.671 1.00 24.33 -ATOM 3536 CB GLN F 500 -7.739 70.564 -55.718 1.00 37.88 -ATOM 3537 CG GLN F 500 -7.084 71.197 -56.941 1.00 69.77 -ATOM 3538 CD GLN F 500 -5.750 71.854 -56.630 1.00 67.25 -ATOM 3539 OE1 GLN F 500 -5.637 72.643 -55.693 1.00 74.89 -ATOM 3540 NE2 GLN F 500 -4.734 71.536 -57.424 1.00 69.76 -ATOM 0 H GLN F 500 -7.103 68.395 -56.832 1.00 31.01 H new -ATOM 0 HA GLN F 500 -5.934 69.907 -54.773 1.00 41.54 H new -ATOM 0 1HB GLN F 500 -8.707 70.137 -56.017 1.00 37.88 H new -ATOM 0 2HB GLN F 500 -7.950 71.354 -54.982 1.00 37.88 H new -ATOM 0 1HG GLN F 500 -6.935 70.425 -57.710 1.00 69.77 H new -ATOM 0 2HG GLN F 500 -7.765 71.948 -57.367 1.00 69.77 H new -ATOM 0 1HE2 GLN F 500 -3.833 71.943 -57.271 1.00 69.76 H new -ATOM 0 2HE2 GLN F 500 -4.870 70.890 -58.175 1.00 69.76 H new -ATOM 3541 N VAL F 501 -8.606 68.120 -54.000 1.00 34.27 -ATOM 3542 CA VAL F 501 -9.388 67.587 -52.900 1.00 27.33 -ATOM 3543 C VAL F 501 -8.531 66.770 -51.937 1.00 24.67 -ATOM 3544 O VAL F 501 -8.695 66.889 -50.730 1.00 23.57 -ATOM 3545 CB VAL F 501 -10.574 66.779 -53.419 1.00 31.54 -ATOM 3546 CG1 VAL F 501 -11.498 66.409 -52.290 1.00 22.30 -ATOM 3547 CG2 VAL F 501 -11.318 67.594 -54.455 1.00 33.67 -ATOM 0 H VAL F 501 -8.873 67.781 -54.902 1.00 34.27 H new -ATOM 0 HA VAL F 501 -9.783 68.440 -52.329 1.00 27.33 H new -ATOM 0 HB VAL F 501 -10.203 65.850 -53.877 1.00 31.54 H new -ATOM 0 1HG1 VAL F 501 -12.345 65.828 -52.684 1.00 22.30 H new -ATOM 0 2HG1 VAL F 501 -10.951 65.804 -51.551 1.00 22.30 H new -ATOM 0 3HG1 VAL F 501 -11.874 67.324 -51.808 1.00 22.30 H new -ATOM 0 1HG2 VAL F 501 -12.174 67.015 -54.832 1.00 33.67 H new -ATOM 0 2HG2 VAL F 501 -11.680 68.527 -53.998 1.00 33.67 H new -ATOM 0 3HG2 VAL F 501 -10.642 67.833 -55.289 1.00 33.67 H new -ATOM 3548 N THR F 502 -7.592 65.981 -52.455 1.00 28.13 -ATOM 3549 CA THR F 502 -6.749 65.166 -51.577 1.00 33.55 -ATOM 3550 C THR F 502 -5.788 66.025 -50.764 1.00 21.66 -ATOM 3551 O THR F 502 -5.536 65.742 -49.595 1.00 17.47 -ATOM 3552 CB THR F 502 -5.963 64.044 -52.329 1.00 19.08 -ATOM 3553 OG1 THR F 502 -5.210 64.615 -53.405 1.00 29.70 -ATOM 3554 CG2 THR F 502 -6.921 63.029 -52.887 1.00 14.43 -ATOM 0 H THR F 502 -7.401 65.889 -53.432 1.00 28.13 H new -ATOM 0 HA THR F 502 -7.447 64.663 -50.892 1.00 33.55 H new -ATOM 0 HB THR F 502 -5.282 63.554 -51.618 1.00 19.08 H new -ATOM 0 HG1 THR F 502 -5.410 65.593 -53.471 1.00 29.70 H new -ATOM 0 1HG2 THR F 502 -6.359 62.244 -53.414 1.00 14.43 H new -ATOM 0 2HG2 THR F 502 -7.497 62.578 -52.066 1.00 14.43 H new -ATOM 0 3HG2 THR F 502 -7.609 63.521 -53.590 1.00 14.43 H new -ATOM 3555 N ASN F 503 -5.243 67.068 -51.382 1.00 19.21 -ATOM 3556 CA ASN F 503 -4.347 67.965 -50.656 1.00 24.43 -ATOM 3557 C ASN F 503 -5.115 68.677 -49.560 1.00 20.81 -ATOM 3558 O ASN F 503 -4.634 68.841 -48.438 1.00 18.01 -ATOM 3559 CB ASN F 503 -3.708 68.982 -51.593 1.00 21.81 -ATOM 3560 CG ASN F 503 -2.848 68.327 -52.649 1.00 36.95 -ATOM 3561 OD1 ASN F 503 -2.174 67.239 -52.281 1.00 38.62 flip -ATOM 3562 ND2 ASN F 503 -2.799 68.783 -53.787 1.00 23.15 flip -ATOM 0 H ASN F 503 -5.397 67.306 -52.341 1.00 19.21 H new -ATOM 0 HA ASN F 503 -3.542 67.363 -50.209 1.00 24.43 H new -ATOM 0 1HB ASN F 503 -4.496 69.574 -52.081 1.00 21.81 H new -ATOM 0 2HB ASN F 503 -3.095 69.683 -51.007 1.00 21.81 H new -ATOM 0 1HD2 ASN F 503 -2.236 68.335 -54.481 1.00 23.15 H new -ATOM 0 2HD2 ASN F 503 -3.322 69.603 -54.020 1.00 23.15 H new -ATOM 3563 N TYR F 504 -6.326 69.096 -49.894 1.00 14.31 -ATOM 3564 CA TYR F 504 -7.199 69.654 -48.894 1.00 19.81 -ATOM 3565 C TYR F 504 -7.378 68.686 -47.725 1.00 30.39 -ATOM 3566 O TYR F 504 -7.213 69.069 -46.570 1.00 21.40 -ATOM 3567 CB TYR F 504 -8.561 70.001 -49.478 1.00 18.62 -ATOM 3568 CG TYR F 504 -9.505 70.451 -48.399 1.00 34.33 -ATOM 3569 CD1 TYR F 504 -9.493 71.765 -47.947 1.00 28.85 -ATOM 3570 CD2 TYR F 504 -10.384 69.552 -47.795 1.00 27.61 -ATOM 3571 CE1 TYR F 504 -10.344 72.181 -46.946 1.00 24.86 -ATOM 3572 CE2 TYR F 504 -11.231 69.957 -46.799 1.00 34.89 -ATOM 3573 CZ TYR F 504 -11.209 71.275 -46.373 1.00 32.22 -ATOM 3574 OH TYR F 504 -12.057 71.675 -45.366 1.00 36.39 -ATOM 0 H TYR F 504 -6.707 69.059 -50.818 1.00 14.31 H new -ATOM 0 HA TYR F 504 -6.726 70.578 -48.529 1.00 19.81 H new -ATOM 0 1HB TYR F 504 -8.451 70.796 -50.231 1.00 18.62 H new -ATOM 0 2HB TYR F 504 -8.978 69.124 -49.995 1.00 18.62 H new -ATOM 0 HD1 TYR F 504 -8.793 72.485 -48.396 1.00 28.85 H new -ATOM 0 HD2 TYR F 504 -10.397 68.502 -48.124 1.00 27.61 H new -ATOM 0 HE1 TYR F 504 -10.333 73.228 -46.608 1.00 24.86 H new -ATOM 0 HE2 TYR F 504 -11.926 69.239 -46.339 1.00 34.89 H new -ATOM 0 HH TYR F 504 -12.611 70.898 -45.068 1.00 36.39 H new -ATOM 3575 N VAL F 505 -7.708 67.430 -48.020 1.00 22.18 -ATOM 3576 CA VAL F 505 -7.962 66.468 -46.956 1.00 18.95 -ATOM 3577 C VAL F 505 -6.691 66.138 -46.155 1.00 16.76 -ATOM 3578 O VAL F 505 -6.741 65.958 -44.943 1.00 19.95 -ATOM 3579 CB VAL F 505 -8.684 65.198 -47.484 1.00 26.84 -ATOM 3580 CG1 VAL F 505 -8.885 64.190 -46.378 1.00 17.07 -ATOM 3581 CG2 VAL F 505 -10.029 65.566 -48.094 1.00 20.08 -ATOM 0 H VAL F 505 -7.802 67.070 -48.948 1.00 22.18 H new -ATOM 0 HA VAL F 505 -8.653 66.947 -46.247 1.00 18.95 H new -ATOM 0 HB VAL F 505 -8.047 64.746 -48.259 1.00 26.84 H new -ATOM 0 1HG1 VAL F 505 -9.397 63.303 -46.778 1.00 17.07 H new -ATOM 0 2HG1 VAL F 505 -7.908 63.895 -45.968 1.00 17.07 H new -ATOM 0 3HG1 VAL F 505 -9.497 64.637 -45.580 1.00 17.07 H new -ATOM 0 1HG2 VAL F 505 -10.526 64.657 -48.462 1.00 20.08 H new -ATOM 0 2HG2 VAL F 505 -10.660 66.045 -47.330 1.00 20.08 H new -ATOM 0 3HG2 VAL F 505 -9.874 66.263 -48.931 1.00 20.08 H new -ATOM 3582 N GLU F 506 -5.544 66.079 -46.812 1.00 22.68 -ATOM 3583 CA GLU F 506 -4.309 65.815 -46.078 1.00 29.38 -ATOM 3584 C GLU F 506 -4.114 66.876 -45.019 1.00 21.14 -ATOM 3585 O GLU F 506 -3.859 66.578 -43.860 1.00 22.21 -ATOM 3586 CB GLU F 506 -3.087 65.826 -46.995 1.00 18.57 -ATOM 3587 CG GLU F 506 -3.096 64.781 -48.072 1.00 37.00 -ATOM 3588 CD GLU F 506 -1.787 64.746 -48.853 1.00 42.74 -ATOM 3589 OE1 GLU F 506 -0.714 64.787 -48.215 1.00 59.65 -ATOM 3590 OE2 GLU F 506 -1.835 64.672 -50.101 1.00 34.79 -ATOM 0 H GLU F 506 -5.440 66.203 -47.799 1.00 22.68 H new -ATOM 0 HA GLU F 506 -4.403 64.816 -45.627 1.00 29.38 H new -ATOM 0 1HB GLU F 506 -3.010 66.817 -47.466 1.00 18.57 H new -ATOM 0 2HB GLU F 506 -2.185 65.691 -46.381 1.00 18.57 H new -ATOM 0 1HG GLU F 506 -3.278 63.794 -47.621 1.00 37.00 H new -ATOM 0 2HG GLU F 506 -3.928 64.977 -48.764 1.00 37.00 H new -ATOM 3591 N ASP F 507 -4.197 68.128 -45.441 1.00 25.70 -ATOM 3592 CA ASP F 507 -4.027 69.240 -44.519 1.00 28.44 -ATOM 3593 C ASP F 507 -5.081 69.177 -43.420 1.00 23.62 -ATOM 3594 O ASP F 507 -4.763 69.253 -42.238 1.00 22.42 -ATOM 3595 CB ASP F 507 -4.102 70.550 -45.283 1.00 22.91 -ATOM 3596 CG ASP F 507 -2.964 70.697 -46.255 1.00 44.94 -ATOM 3597 OD1 ASP F 507 -1.932 70.026 -46.034 1.00 56.80 -ATOM 3598 OD2 ASP F 507 -3.090 71.467 -47.228 1.00 40.95 -ATOM 0 H ASP F 507 -4.376 68.393 -46.388 1.00 25.70 H new -ATOM 0 HA ASP F 507 -3.039 69.174 -44.040 1.00 28.44 H new -ATOM 0 1HB ASP F 507 -5.057 70.603 -45.826 1.00 22.91 H new -ATOM 0 2HB ASP F 507 -4.088 71.390 -44.573 1.00 22.91 H new -ATOM 3599 N ARG F 508 -6.333 69.002 -43.822 1.00 13.22 -ATOM 3600 CA ARG F 508 -7.407 68.809 -42.870 1.00 19.31 -ATOM 3601 C ARG F 508 -7.095 67.793 -41.773 1.00 25.65 -ATOM 3602 O ARG F 508 -7.244 68.122 -40.601 1.00 25.57 -ATOM 3603 CB ARG F 508 -8.717 68.465 -43.571 1.00 17.73 -ATOM 3604 CG ARG F 508 -9.916 68.637 -42.670 1.00 16.64 -ATOM 3605 CD ARG F 508 -11.213 68.326 -43.413 1.00 26.56 -ATOM 3606 NE ARG F 508 -12.374 68.526 -42.554 1.00 27.93 -ATOM 3607 CZ ARG F 508 -13.617 68.183 -42.865 1.00 33.46 -ATOM 3608 NH1 ARG F 508 -13.883 67.606 -44.029 1.00 24.11 -ATOM 3609 NH2 ARG F 508 -14.598 68.423 -41.999 1.00 33.50 -ATOM 0 H ARG F 508 -6.619 68.991 -44.780 1.00 13.22 H new -ATOM 0 HA ARG F 508 -7.518 69.777 -42.360 1.00 19.31 H new -ATOM 0 1HB ARG F 508 -8.834 69.105 -44.458 1.00 17.73 H new -ATOM 0 2HB ARG F 508 -8.676 67.425 -43.928 1.00 17.73 H new -ATOM 0 1HG ARG F 508 -9.821 67.974 -41.798 1.00 16.64 H new -ATOM 0 2HG ARG F 508 -9.947 69.668 -42.288 1.00 16.64 H new -ATOM 0 1HD ARG F 508 -11.294 68.971 -44.300 1.00 26.56 H new -ATOM 0 2HD ARG F 508 -11.193 67.286 -43.772 1.00 26.56 H new -ATOM 0 HE ARG F 508 -12.222 68.954 -41.663 1.00 27.93 H + new -ATOM 0 1HH1 ARG F 508 -13.144 67.427 -44.679 1.00 24.11 H + new -ATOM 0 2HH1 ARG F 508 -14.822 67.350 -44.257 1.00 24.11 H + new -ATOM 0 1HH2 ARG F 508 -14.395 68.859 -41.122 1.00 33.50 H + new -ATOM 0 2HH2 ARG F 508 -15.538 68.168 -42.225 1.00 33.50 H + new -ATOM 3610 N ILE F 509 -6.668 66.572 -42.114 1.00 27.71 -ATOM 3611 CA ILE F 509 -6.457 65.588 -41.045 1.00 31.62 -ATOM 3612 C ILE F 509 -5.179 65.862 -40.247 1.00 27.74 -ATOM 3613 O ILE F 509 -5.137 65.636 -39.039 1.00 29.93 -ATOM 3614 CB ILE F 509 -6.545 64.071 -41.480 1.00 31.08 -ATOM 3615 CG1 ILE F 509 -5.155 63.456 -41.673 1.00 34.11 -ATOM 3616 CG2 ILE F 509 -7.493 63.851 -42.664 1.00 23.95 -ATOM 3617 CD1 ILE F 509 -4.448 63.862 -42.977 1.00 47.08 -ATOM 0 H ILE F 509 -6.475 66.259 -43.044 1.00 27.71 H new -ATOM 0 HA ILE F 509 -7.325 65.739 -40.386 1.00 31.62 H new -ATOM 0 HB ILE F 509 -7.005 63.517 -40.648 1.00 31.08 H new -ATOM 0 1HG1 ILE F 509 -4.520 63.745 -40.823 1.00 34.11 H new -ATOM 0 2HG1 ILE F 509 -5.247 62.360 -41.648 1.00 34.11 H new -ATOM 0 1HG2 ILE F 509 -7.515 62.782 -42.923 1.00 23.95 H new -ATOM 0 2HG2 ILE F 509 -8.505 64.183 -42.390 1.00 23.95 H new -ATOM 0 3HG2 ILE F 509 -7.140 64.430 -43.530 1.00 23.95 H new -ATOM 0 1HD1 ILE F 509 -3.463 63.375 -43.028 1.00 47.08 H new -ATOM 0 2HD1 ILE F 509 -5.057 63.548 -43.838 1.00 47.08 H new -ATOM 0 3HD1 ILE F 509 -4.318 64.954 -43.000 1.00 47.08 H new -ATOM 3618 N ILE F 510 -4.146 66.366 -40.907 1.00 18.62 -ATOM 3619 CA ILE F 510 -2.964 66.819 -40.179 1.00 28.65 -ATOM 3620 C ILE F 510 -3.347 67.793 -39.054 1.00 39.79 -ATOM 3621 O ILE F 510 -2.880 67.662 -37.914 1.00 31.58 -ATOM 3622 CB ILE F 510 -1.973 67.514 -41.102 1.00 30.40 -ATOM 3623 CG1 ILE F 510 -1.367 66.498 -42.071 1.00 26.49 -ATOM 3624 CG2 ILE F 510 -0.892 68.210 -40.280 1.00 21.79 -ATOM 3625 CD1 ILE F 510 -0.454 67.121 -43.106 1.00 24.36 -ATOM 0 H ILE F 510 -4.099 66.469 -41.901 1.00 18.62 H new -ATOM 0 HA ILE F 510 -2.495 65.921 -39.750 1.00 28.65 H new -ATOM 0 HB ILE F 510 -2.496 68.281 -41.692 1.00 30.40 H new -ATOM 0 1HG1 ILE F 510 -0.801 65.749 -41.498 1.00 26.49 H new -ATOM 0 2HG1 ILE F 510 -2.180 65.963 -42.585 1.00 26.49 H new -ATOM 0 1HG2 ILE F 510 -0.181 68.709 -40.955 1.00 21.79 H new -ATOM 0 2HG2 ILE F 510 -1.357 68.958 -39.620 1.00 21.79 H new -ATOM 0 3HG2 ILE F 510 -0.358 67.466 -39.671 1.00 21.79 H new -ATOM 0 1HD1 ILE F 510 -0.056 66.335 -43.765 1.00 24.36 H new -ATOM 0 2HD1 ILE F 510 -1.021 67.849 -43.705 1.00 24.36 H new -ATOM 0 3HD1 ILE F 510 0.379 67.632 -42.601 1.00 24.36 H new -ATOM 3626 N ALA F 511 -4.201 68.764 -39.389 1.00 26.09 -ATOM 3627 CA ALA F 511 -4.720 69.723 -38.418 1.00 42.33 -ATOM 3628 C ALA F 511 -5.445 69.011 -37.274 1.00 47.53 -ATOM 3629 O ALA F 511 -5.072 69.155 -36.113 1.00 42.08 -ATOM 3630 CB ALA F 511 -5.651 70.739 -39.098 1.00 24.54 -ATOM 0 H ALA F 511 -4.542 68.902 -40.319 1.00 26.09 H new -ATOM 0 HA ALA F 511 -3.864 70.268 -37.993 1.00 42.33 H new -ATOM 0 1HB ALA F 511 -6.029 71.450 -38.348 1.00 24.54 H new -ATOM 0 2HB ALA F 511 -5.094 71.286 -39.873 1.00 24.54 H new -ATOM 0 3HB ALA F 511 -6.497 70.210 -39.560 1.00 24.54 H new -ATOM 3631 N LEU F 512 -6.481 68.250 -37.609 1.00 30.24 -ATOM 3632 CA LEU F 512 -7.198 67.453 -36.624 1.00 32.95 -ATOM 3633 C LEU F 512 -6.250 66.720 -35.685 1.00 38.48 -ATOM 3634 O LEU F 512 -6.500 66.618 -34.484 1.00 43.35 -ATOM 3635 CB LEU F 512 -8.084 66.435 -37.325 1.00 26.37 -ATOM 3636 CG LEU F 512 -9.391 66.999 -37.860 1.00 29.11 -ATOM 3637 CD1 LEU F 512 -10.075 66.003 -38.755 1.00 31.37 -ATOM 3638 CD2 LEU F 512 -10.274 67.339 -36.685 1.00 36.71 -ATOM 0 H LEU F 512 -6.836 68.171 -38.541 1.00 30.24 H new -ATOM 0 HA LEU F 512 -7.809 68.145 -36.026 1.00 32.95 H new -ATOM 0 1HB LEU F 512 -7.522 65.992 -38.160 1.00 26.37 H new -ATOM 0 2HB LEU F 512 -8.312 65.620 -36.622 1.00 26.37 H new -ATOM 0 HG LEU F 512 -9.189 67.900 -38.457 1.00 29.11 H new -ATOM 0 1HD1 LEU F 512 -11.016 66.432 -39.130 1.00 31.37 H new -ATOM 0 2HD1 LEU F 512 -9.419 65.761 -39.604 1.00 31.37 H new -ATOM 0 3HD1 LEU F 512 -10.291 65.086 -38.187 1.00 31.37 H new -ATOM 0 1HD2 LEU F 512 -11.227 67.750 -37.049 1.00 36.71 H new -ATOM 0 2HD2 LEU F 512 -10.468 66.430 -36.096 1.00 36.71 H new -ATOM 0 3HD2 LEU F 512 -9.772 68.085 -36.052 1.00 36.71 H new -ATOM 3639 N ARG F 513 -5.159 66.205 -36.239 1.00 30.30 -ATOM 3640 CA ARG F 513 -4.201 65.451 -35.445 1.00 38.42 -ATOM 3641 C ARG F 513 -3.461 66.314 -34.417 1.00 32.38 -ATOM 3642 O ARG F 513 -3.186 65.873 -33.309 1.00 41.08 -ATOM 3643 CB ARG F 513 -3.214 64.703 -36.350 1.00 32.49 -ATOM 3644 CG ARG F 513 -3.819 63.485 -37.042 1.00 35.06 -ATOM 3645 CD ARG F 513 -2.795 62.726 -37.886 1.00 27.28 -ATOM 3646 NE ARG F 513 -3.384 61.558 -38.541 1.00 26.39 -ATOM 3647 CZ ARG F 513 -2.720 60.733 -39.348 1.00 32.01 -ATOM 3648 NH1 ARG F 513 -1.434 60.938 -39.604 1.00 23.30 -ATOM 3649 NH2 ARG F 513 -3.342 59.697 -39.898 1.00 26.00 -ATOM 0 H ARG F 513 -4.923 66.293 -37.207 1.00 30.30 H new -ATOM 0 HA ARG F 513 -4.781 64.715 -34.869 1.00 38.42 H new -ATOM 0 1HB ARG F 513 -2.833 65.396 -37.114 1.00 32.49 H new -ATOM 0 2HB ARG F 513 -2.351 64.381 -35.749 1.00 32.49 H new -ATOM 0 1HG ARG F 513 -4.240 62.808 -36.284 1.00 35.06 H new -ATOM 0 2HG ARG F 513 -4.652 63.807 -37.684 1.00 35.06 H new -ATOM 0 1HD ARG F 513 -2.376 63.400 -38.648 1.00 27.28 H new -ATOM 0 2HD ARG F 513 -1.960 62.405 -37.247 1.00 27.28 H new -ATOM 0 HE ARG F 513 -4.351 61.366 -38.371 1.00 26.39 H + new -ATOM 0 1HH1 ARG F 513 -0.959 61.715 -39.190 1.00 23.30 H + new -ATOM 0 2HH1 ARG F 513 -0.940 60.316 -40.211 1.00 23.30 H + new -ATOM 0 1HH2 ARG F 513 -4.310 59.536 -39.706 1.00 26.00 H + new -ATOM 0 2HH2 ARG F 513 -2.842 59.078 -40.504 1.00 26.00 H + new -ATOM 3650 N ASN F 514 -3.144 67.545 -34.787 1.00 48.11 -ATOM 3651 CA ASN F 514 -2.396 68.423 -33.896 1.00 51.61 -ATOM 3652 C ASN F 514 -3.307 69.232 -32.986 1.00 62.14 -ATOM 3653 O ASN F 514 -2.953 69.533 -31.844 1.00 69.89 -ATOM 3654 CB ASN F 514 -1.479 69.334 -34.702 1.00 52.52 -ATOM 3655 CG ASN F 514 -0.354 68.567 -35.378 1.00 63.03 -ATOM 3656 OD1 ASN F 514 -0.026 67.445 -34.981 1.00 56.82 -ATOM 3657 ND2 ASN F 514 0.244 69.170 -36.399 1.00 50.03 -ATOM 0 H ASN F 514 -3.384 67.949 -35.670 1.00 48.11 H new -ATOM 0 HA ASN F 514 -1.781 67.787 -33.243 1.00 51.61 H new -ATOM 0 1HB ASN F 514 -2.069 69.863 -35.465 1.00 52.52 H new -ATOM 0 2HB ASN F 514 -1.051 70.100 -34.038 1.00 52.52 H new -ATOM 0 1HD2 ASN F 514 0.993 68.714 -36.880 1.00 50.03 H new -ATOM 0 2HD2 ASN F 514 -0.055 70.080 -36.687 1.00 50.03 H new -ATOM 3658 N ASN F 515 -4.487 69.566 -33.505 1.00 71.42 -ATOM 3659 CA ASN F 515 -5.536 70.239 -32.746 1.00 60.27 -ATOM 3660 C ASN F 515 -6.154 69.324 -31.691 1.00 67.80 -ATOM 3661 O ASN F 515 -7.239 69.612 -31.179 1.00 79.70 -ATOM 3662 CB ASN F 515 -6.655 70.716 -33.686 1.00 50.02 -ATOM 3663 CG ASN F 515 -6.198 71.790 -34.654 1.00 64.27 -ATOM 3664 OD1 ASN F 515 -5.055 72.258 -34.599 1.00 72.34 -ATOM 3665 ND2 ASN F 515 -7.095 72.187 -35.556 1.00 50.65 -ATOM 0 H ASN F 515 -4.738 69.378 -34.455 1.00 71.42 H new -ATOM 0 HA ASN F 515 -5.064 71.095 -32.243 1.00 60.27 H new -ATOM 0 1HB ASN F 515 -7.039 69.857 -34.255 1.00 50.02 H new -ATOM 0 2HB ASN F 515 -7.491 71.103 -33.085 1.00 50.02 H new -ATOM 0 1HD2 ASN F 515 -6.854 72.891 -36.224 1.00 50.65 H new -ATOM 0 2HD2 ASN F 515 -8.009 71.781 -35.564 1.00 50.65 H new -ATOM 3666 N THR F 516 -5.478 68.219 -31.380 1.00 50.95 -ATOM 3667 CA THR F 516 -6.045 67.213 -30.488 1.00 60.08 -ATOM 3668 C THR F 516 -5.265 67.000 -29.192 1.00 73.79 -ATOM 3669 O THR F 516 -4.031 67.029 -29.174 1.00 76.79 -ATOM 3670 CB THR F 516 -6.240 65.867 -31.213 1.00 64.93 -ATOM 3671 OG1 THR F 516 -7.620 65.726 -31.571 1.00 57.34 -ATOM 3672 CG2 THR F 516 -5.840 64.706 -30.318 1.00 54.15 -ATOM 0 H THR F 516 -4.563 68.004 -31.723 1.00 50.95 H new -ATOM 0 HA THR F 516 -7.023 67.622 -30.193 1.00 60.08 H new -ATOM 0 HB THR F 516 -5.604 65.855 -32.111 1.00 64.93 H new -ATOM 0 HG1 THR F 516 -7.755 64.855 -32.044 1.00 57.34 H new -ATOM 0 1HG2 THR F 516 -5.988 63.759 -30.857 1.00 54.15 H new -ATOM 0 2HG2 THR F 516 -4.781 64.806 -30.038 1.00 54.15 H new -ATOM 0 3HG2 THR F 516 -6.461 64.711 -29.410 1.00 54.15 H new -ATOM 3673 N ALA F 517 -6.013 66.790 -28.111 1.00 70.67 -ATOM 3674 CA ALA F 517 -5.449 66.524 -26.793 1.00 84.39 -ATOM 3675 C ALA F 517 -4.701 65.192 -26.744 1.00 90.41 -ATOM 3676 O ALA F 517 -3.483 65.162 -26.560 1.00 84.97 -ATOM 3677 CB ALA F 517 -6.554 66.540 -25.740 1.00 67.25 -ATOM 0 H ALA F 517 -7.013 66.800 -28.126 1.00 70.67 H new -ATOM 0 HA ALA F 517 -4.720 67.320 -26.579 1.00 84.39 H new -ATOM 0 1HB ALA F 517 -6.120 66.339 -24.749 1.00 67.25 H new -ATOM 0 2HB ALA F 517 -7.040 67.527 -25.733 1.00 67.25 H new -ATOM 0 3HB ALA F 517 -7.299 65.766 -25.978 1.00 67.25 H new -ATOM 3678 N SER F 518 -5.442 64.098 -26.908 1.00 80.36 -ATOM 3679 CA SER F 518 -4.891 62.748 -26.788 1.00 77.94 -ATOM 3680 C SER F 518 -3.734 62.489 -27.749 1.00 85.17 -ATOM 3681 O SER F 518 -3.501 63.259 -28.685 1.00 83.62 -ATOM 3682 CB SER F 518 -5.986 61.708 -27.022 1.00 80.26 -ATOM 3683 OG SER F 518 -6.443 61.758 -28.362 1.00 77.19 -ATOM 0 H SER F 518 -6.418 64.120 -27.123 1.00 80.36 H new -ATOM 0 HA SER F 518 -4.495 62.662 -25.765 1.00 77.94 H new -ATOM 0 1HB SER F 518 -6.826 61.890 -26.335 1.00 80.26 H new -ATOM 0 2HB SER F 518 -5.599 60.703 -26.798 1.00 80.26 H new -ATOM 0 HG SER F 518 -6.864 60.884 -28.604 1.00 77.19 H new -ATOM 3684 N LYS F 519 -3.015 61.396 -27.508 1.00 87.58 -ATOM 3685 CA LYS F 519 -1.874 61.022 -28.336 1.00 72.60 -ATOM 3686 C LYS F 519 -2.315 60.174 -29.522 1.00 81.04 -ATOM 3687 O LYS F 519 -1.484 59.627 -30.244 1.00 78.85 -ATOM 3688 CB LYS F 519 -0.842 60.242 -27.517 1.00 79.28 -ATOM 3689 CG LYS F 519 -0.263 61.004 -26.338 1.00 96.66 -ATOM 3690 CD LYS F 519 1.044 60.380 -25.867 1.00 89.88 -ATOM 3691 CE LYS F 519 1.711 61.238 -24.800 1.00 87.84 -ATOM 3692 NZ LYS F 519 3.148 60.888 -24.615 1.00 77.03 -ATOM 0 H LYS F 519 -3.201 60.764 -26.756 1.00 87.58 H new -ATOM 0 HA LYS F 519 -1.418 61.951 -28.708 1.00 72.60 H new -ATOM 0 1HB LYS F 519 -1.311 59.319 -27.145 1.00 79.28 H new -ATOM 0 2HB LYS F 519 -0.019 59.940 -28.181 1.00 79.28 H new -ATOM 0 1HG LYS F 519 -0.090 62.052 -26.624 1.00 96.66 H new -ATOM 0 2HG LYS F 519 -0.988 61.012 -25.511 1.00 96.66 H new -ATOM 0 1HD LYS F 519 0.850 59.375 -25.465 1.00 89.88 H new -ATOM 0 2HD LYS F 519 1.725 60.258 -26.722 1.00 89.88 H new -ATOM 0 1HE LYS F 519 1.626 62.299 -25.079 1.00 87.84 H new -ATOM 0 2HE LYS F 519 1.179 61.113 -23.845 1.00 87.84 H new -ATOM 0 1HZ LYS F 519 3.546 61.473 -23.908 1.00 77.03 H + new -ATOM 0 2HZ LYS F 519 3.225 59.931 -24.337 1.00 77.03 H + new -ATOM 0 3HZ LYS F 519 3.638 61.025 -25.476 1.00 77.03 H + new -ATOM 3693 N HIS F 520 -3.623 60.074 -29.726 1.00 67.55 -ATOM 3694 CA HIS F 520 -4.152 59.158 -30.723 1.00 58.01 -ATOM 3695 C HIS F 520 -5.295 59.765 -31.532 1.00 52.82 -ATOM 3696 O HIS F 520 -5.824 59.121 -32.436 1.00 61.07 -ATOM 3697 CB HIS F 520 -4.635 57.888 -30.029 1.00 61.81 -ATOM 3698 CG HIS F 520 -5.645 58.150 -28.958 1.00 86.58 -ATOM 3699 ND1 HIS F 520 -6.993 58.023 -28.953 1.00 91.52 flip -ATOM 3700 CD2 HIS F 520 -5.301 58.631 -27.712 1.00 86.70 flip -ATOM 3701 CE1 HIS F 520 -7.433 58.416 -27.712 1.00103.04 flip -ATOM 3702 NE2 HIS F 520 -6.393 58.777 -26.983 1.00103.31 flip -ATOM 0 H HIS F 520 -4.314 60.599 -29.230 1.00 67.55 H new -ATOM 0 HA HIS F 520 -3.340 58.932 -31.430 1.00 58.01 H new -ATOM 0 1HB HIS F 520 -5.072 57.212 -30.779 1.00 61.81 H new -ATOM 0 2HB HIS F 520 -3.772 57.367 -29.590 1.00 61.81 H new -ATOM 0 HD2 HIS F 520 -4.278 58.858 -27.378 1.00 86.70 H new -ATOM 0 HE1 HIS F 520 -8.482 58.428 -27.380 1.00103.04 H new -ATOM 0 HE2 HIS F 520 -6.426 59.105 -26.039 1.00103.31 H new -ATOM 3703 N GLY F 521 -5.680 60.993 -31.206 1.00 42.25 -ATOM 3704 CA GLY F 521 -6.774 61.656 -31.900 1.00 41.65 -ATOM 3705 C GLY F 521 -6.596 61.722 -33.410 1.00 40.38 -ATOM 3706 O GLY F 521 -5.616 62.280 -33.897 1.00 33.73 -ATOM 0 H GLY F 521 -5.259 61.537 -30.481 1.00 42.25 H new -ATOM 0 1HA GLY F 521 -7.712 61.128 -31.674 1.00 41.65 H new -ATOM 0 2HA GLY F 521 -6.878 62.678 -31.508 1.00 41.65 H new -ATOM 3707 N PHE F 522 -7.549 61.142 -34.140 1.00 35.50 -ATOM 3708 CA PHE F 522 -7.552 61.117 -35.609 1.00 32.13 -ATOM 3709 C PHE F 522 -6.305 60.506 -36.248 1.00 26.86 -ATOM 3710 O PHE F 522 -5.980 60.761 -37.409 1.00 26.85 -ATOM 3711 CB PHE F 522 -7.828 62.511 -36.158 1.00 23.42 -ATOM 3712 CG PHE F 522 -9.165 63.018 -35.792 1.00 30.61 -ATOM 3713 CD1 PHE F 522 -9.298 64.037 -34.865 1.00 37.82 -ATOM 3714 CD2 PHE F 522 -10.307 62.442 -36.333 1.00 22.79 -ATOM 3715 CE1 PHE F 522 -10.550 64.501 -34.509 1.00 26.52 -ATOM 3716 CE2 PHE F 522 -11.567 62.903 -35.978 1.00 24.21 -ATOM 3717 CZ PHE F 522 -11.688 63.931 -35.062 1.00 18.07 -ATOM 0 H PHE F 522 -8.337 60.679 -33.734 1.00 35.50 H new -ATOM 0 HA PHE F 522 -8.367 60.435 -35.893 1.00 32.13 H new -ATOM 0 1HB PHE F 522 -7.062 63.206 -35.782 1.00 23.42 H new -ATOM 0 2HB PHE F 522 -7.736 62.493 -37.254 1.00 23.42 H new -ATOM 0 HD1 PHE F 522 -8.401 64.481 -34.408 1.00 37.82 H new -ATOM 0 HD2 PHE F 522 -10.212 61.613 -37.049 1.00 22.79 H new -ATOM 0 HE1 PHE F 522 -10.645 65.324 -33.786 1.00 26.52 H new -ATOM 0 HE2 PHE F 522 -12.466 62.452 -36.424 1.00 24.21 H new -ATOM 0 HZ PHE F 522 -12.684 64.296 -34.772 1.00 18.07 H new -ATOM 3718 N GLN F 523 -5.625 59.683 -35.475 1.00 27.04 -ATOM 3719 CA GLN F 523 -4.391 59.078 -35.902 1.00 33.78 -ATOM 3720 C GLN F 523 -4.671 57.873 -36.814 1.00 36.42 -ATOM 3721 O GLN F 523 -3.772 57.355 -37.477 1.00 23.95 -ATOM 3722 CB GLN F 523 -3.614 58.651 -34.662 1.00 35.95 -ATOM 3723 CG GLN F 523 -2.148 58.904 -34.762 1.00 47.10 -ATOM 3724 CD GLN F 523 -1.843 60.278 -35.292 1.00 41.91 -ATOM 3725 OE1 GLN F 523 -1.177 60.430 -36.320 1.00 40.04 -ATOM 3726 NE2 GLN F 523 -2.336 61.294 -34.601 1.00 35.19 -ATOM 0 H GLN F 523 -5.911 59.424 -34.553 1.00 27.04 H new -ATOM 0 HA GLN F 523 -3.797 59.800 -36.481 1.00 33.78 H new -ATOM 0 1HB GLN F 523 -4.012 59.187 -33.787 1.00 35.95 H new -ATOM 0 2HB GLN F 523 -3.782 57.578 -34.485 1.00 35.95 H new -ATOM 0 1HG GLN F 523 -1.689 58.786 -33.769 1.00 47.10 H new -ATOM 0 2HG GLN F 523 -1.692 58.150 -35.420 1.00 47.10 H new -ATOM 0 1HE2 GLN F 523 -2.174 62.232 -34.907 1.00 35.19 H new -ATOM 0 2HE2 GLN F 523 -2.870 61.123 -33.773 1.00 35.19 H new -ATOM 3727 N ASN F 524 -5.932 57.458 -36.860 1.00 16.37 -ATOM 3728 CA ASN F 524 -6.314 56.231 -37.535 1.00 23.39 -ATOM 3729 C ASN F 524 -7.002 56.515 -38.860 1.00 24.58 -ATOM 3730 O ASN F 524 -7.680 55.652 -39.425 1.00 18.79 -ATOM 3731 CB ASN F 524 -7.262 55.432 -36.633 1.00 25.64 -ATOM 3732 CG ASN F 524 -8.604 56.123 -36.436 1.00 22.11 -ATOM 3733 OD1 ASN F 524 -8.705 57.359 -36.470 1.00 22.58 -ATOM 3734 ND2 ASN F 524 -9.640 55.329 -36.236 1.00 12.18 -ATOM 0 H ASN F 524 -6.695 57.951 -36.441 1.00 16.37 H new -ATOM 0 HA ASN F 524 -5.401 55.653 -37.740 1.00 23.39 H new -ATOM 0 1HB ASN F 524 -7.427 54.437 -37.071 1.00 25.64 H new -ATOM 0 2HB ASN F 524 -6.786 55.277 -35.653 1.00 25.64 H new -ATOM 0 1HD2 ASN F 524 -10.551 55.719 -36.104 1.00 12.18 H new -ATOM 0 2HD2 ASN F 524 -9.513 54.337 -36.216 1.00 12.18 H new -ATOM 3735 N ILE F 525 -6.843 57.733 -39.351 1.00 16.29 -ATOM 3736 CA ILE F 525 -7.571 58.134 -40.533 1.00 13.07 -ATOM 3737 C ILE F 525 -6.665 58.901 -41.489 1.00 21.52 -ATOM 3738 O ILE F 525 -5.806 59.663 -41.048 1.00 25.54 -ATOM 3739 CB ILE F 525 -8.842 58.901 -40.136 1.00 28.12 -ATOM 3740 CG1 ILE F 525 -9.999 58.500 -41.035 1.00 25.94 -ATOM 3741 CG2 ILE F 525 -8.618 60.439 -40.046 1.00 23.42 -ATOM 3742 CD1 ILE F 525 -11.267 58.458 -40.287 1.00 32.69 -ATOM 0 H ILE F 525 -6.241 58.431 -38.964 1.00 16.29 H new -ATOM 0 HA ILE F 525 -7.904 57.243 -41.085 1.00 13.07 H new -ATOM 0 HB ILE F 525 -9.113 58.610 -39.110 1.00 28.12 H new -ATOM 0 1HG1 ILE F 525 -10.085 59.214 -41.867 1.00 25.94 H new -ATOM 0 2HG1 ILE F 525 -9.798 57.513 -41.477 1.00 25.94 H new -ATOM 0 1HG2 ILE F 525 -9.559 60.931 -39.759 1.00 23.42 H new -ATOM 0 2HG2 ILE F 525 -7.847 60.654 -39.291 1.00 23.42 H new -ATOM 0 3HG2 ILE F 525 -8.289 60.820 -41.024 1.00 23.42 H new -ATOM 0 1HD1 ILE F 525 -12.083 58.165 -40.964 1.00 32.69 H new -ATOM 0 2HD1 ILE F 525 -11.188 57.725 -39.471 1.00 32.69 H new -ATOM 0 3HD1 ILE F 525 -11.479 59.452 -39.867 1.00 32.69 H new -ATOM 3743 N ASN F 526 -6.802 58.637 -42.791 1.00 28.89 -ATOM 3744 CA ASN F 526 -5.976 59.311 -43.803 1.00 17.32 -ATOM 3745 C ASN F 526 -6.492 59.131 -45.236 1.00 13.76 -ATOM 3746 O ASN F 526 -7.459 58.407 -45.485 1.00 14.81 -ATOM 3747 CB ASN F 526 -4.505 58.908 -43.674 1.00 13.30 -ATOM 3748 CG ASN F 526 -3.544 60.081 -43.951 1.00 24.80 -ATOM 3749 OD1 ASN F 526 -3.895 61.025 -44.647 1.00 22.77 -ATOM 3750 ND2 ASN F 526 -2.333 60.016 -43.396 1.00 14.39 -ATOM 0 H ASN F 526 -7.458 57.980 -43.162 1.00 28.89 H new -ATOM 0 HA ASN F 526 -6.056 60.388 -43.596 1.00 17.32 H new -ATOM 0 1HB ASN F 526 -4.322 58.520 -42.661 1.00 13.30 H new -ATOM 0 2HB ASN F 526 -4.290 58.089 -44.376 1.00 13.30 H new -ATOM 0 1HD2 ASN F 526 -1.676 60.755 -43.543 1.00 14.39 H new -ATOM 0 2HD2 ASN F 526 -2.083 59.228 -42.833 1.00 14.39 H new -ATOM 3751 N VAL F 527 -5.861 59.816 -46.180 1.00 14.10 -ATOM 3752 CA VAL F 527 -6.326 59.788 -47.560 1.00 15.16 -ATOM 3753 C VAL F 527 -5.158 59.612 -48.503 1.00 14.14 -ATOM 3754 O VAL F 527 -4.012 59.888 -48.148 1.00 18.23 -ATOM 3755 CB VAL F 527 -7.071 61.092 -47.930 1.00 27.12 -ATOM 3756 CG1 VAL F 527 -6.134 62.291 -47.800 1.00 19.58 -ATOM 3757 CG2 VAL F 527 -7.639 61.016 -49.342 1.00 21.09 -ATOM 0 H VAL F 527 -5.051 60.381 -46.022 1.00 14.10 H new -ATOM 0 HA VAL F 527 -7.020 58.940 -47.656 1.00 15.16 H new -ATOM 0 HB VAL F 527 -7.910 61.217 -47.230 1.00 27.12 H new -ATOM 0 1HG1 VAL F 527 -6.676 63.211 -48.066 1.00 19.58 H new -ATOM 0 2HG1 VAL F 527 -5.774 62.365 -46.763 1.00 19.58 H new -ATOM 0 3HG1 VAL F 527 -5.277 62.162 -48.477 1.00 19.58 H new -ATOM 0 1HG2 VAL F 527 -8.162 61.954 -49.578 1.00 21.09 H new -ATOM 0 2HG2 VAL F 527 -6.820 60.863 -50.060 1.00 21.09 H new -ATOM 0 3HG2 VAL F 527 -8.346 60.176 -49.409 1.00 21.09 H new -ATOM 3758 N LEU F 528 -5.439 59.116 -49.698 1.00 19.51 -ATOM 3759 CA LEU F 528 -4.452 59.179 -50.763 1.00 18.61 -ATOM 3760 C LEU F 528 -5.114 59.350 -52.117 1.00 13.62 -ATOM 3761 O LEU F 528 -6.282 59.012 -52.307 1.00 19.37 -ATOM 3762 CB LEU F 528 -3.496 57.989 -50.730 1.00 20.90 -ATOM 3763 CG LEU F 528 -4.034 56.565 -50.743 1.00 28.15 -ATOM 3764 CD1 LEU F 528 -4.746 56.251 -52.060 1.00 22.45 -ATOM 3765 CD2 LEU F 528 -2.860 55.638 -50.545 1.00 27.46 -ATOM 0 H LEU F 528 -6.306 58.683 -49.946 1.00 19.51 H new -ATOM 0 HA LEU F 528 -3.836 60.073 -50.589 1.00 18.61 H new -ATOM 0 1HB LEU F 528 -2.823 58.090 -51.594 1.00 20.90 H new -ATOM 0 2HB LEU F 528 -2.878 58.094 -49.826 1.00 20.90 H new -ATOM 0 HG LEU F 528 -4.775 56.436 -49.940 1.00 28.15 H new -ATOM 0 1HD1 LEU F 528 -5.122 55.217 -52.037 1.00 22.45 H new -ATOM 0 2HD1 LEU F 528 -5.589 56.944 -52.196 1.00 22.45 H new -ATOM 0 3HD1 LEU F 528 -4.040 56.365 -52.896 1.00 22.45 H new -ATOM 0 1HD2 LEU F 528 -3.211 54.595 -50.549 1.00 27.46 H new -ATOM 0 2HD2 LEU F 528 -2.136 55.784 -51.360 1.00 27.46 H new -ATOM 0 3HD2 LEU F 528 -2.377 55.858 -49.582 1.00 27.46 H new -ATOM 3766 N ARG F 529 -4.384 59.939 -53.039 1.00 9.22 -ATOM 3767 CA ARG F 529 -4.913 60.119 -54.366 1.00 20.30 -ATOM 3768 C ARG F 529 -4.670 58.829 -55.125 1.00 18.31 -ATOM 3769 O ARG F 529 -3.541 58.352 -55.212 1.00 19.06 -ATOM 3770 CB ARG F 529 -4.220 61.284 -55.065 1.00 17.65 -ATOM 3771 CG ARG F 529 -4.890 61.655 -56.356 1.00 23.81 -ATOM 3772 CD ARG F 529 -4.140 62.732 -57.111 1.00 32.28 -ATOM 3773 NE ARG F 529 -4.697 62.855 -58.450 1.00 38.55 -ATOM 3774 CZ ARG F 529 -4.057 62.523 -59.562 1.00 37.47 -ATOM 3775 NH1 ARG F 529 -2.807 62.082 -59.508 1.00 30.22 -ATOM 3776 NH2 ARG F 529 -4.665 62.658 -60.730 1.00 42.59 -ATOM 0 H ARG F 529 -3.457 60.288 -52.898 1.00 9.22 H new -ATOM 0 HA ARG F 529 -5.988 60.351 -54.325 1.00 20.30 H new -ATOM 0 1HB ARG F 529 -4.211 62.157 -54.396 1.00 17.65 H new -ATOM 0 2HB ARG F 529 -3.171 61.018 -55.262 1.00 17.65 H new -ATOM 0 1HG ARG F 529 -4.977 60.760 -56.990 1.00 23.81 H new -ATOM 0 2HG ARG F 529 -5.913 62.003 -56.148 1.00 23.81 H new -ATOM 0 1HD ARG F 529 -4.217 63.692 -56.579 1.00 32.28 H new -ATOM 0 2HD ARG F 529 -3.071 62.481 -57.167 1.00 32.28 H new -ATOM 0 HE ARG F 529 -5.626 63.215 -58.537 1.00 38.55 H + new -ATOM 0 1HH1 ARG F 529 -2.344 61.999 -58.626 1.00 30.22 H + new -ATOM 0 2HH1 ARG F 529 -2.328 61.833 -60.350 1.00 30.22 H + new -ATOM 0 1HH2 ARG F 529 -5.601 63.008 -60.769 1.00 42.59 H + new -ATOM 0 2HH2 ARG F 529 -4.189 62.410 -61.573 1.00 42.59 H + new -ATOM 3777 N GLY F 530 -5.731 58.248 -55.657 1.00 16.31 -ATOM 3778 CA GLY F 530 -5.606 56.988 -56.358 1.00 12.66 -ATOM 3779 C GLY F 530 -6.886 56.658 -57.081 1.00 23.35 -ATOM 3780 O GLY F 530 -7.907 57.327 -56.908 1.00 20.15 -ATOM 0 H GLY F 530 -6.659 58.618 -55.617 1.00 16.31 H new -ATOM 0 1HA GLY F 530 -4.775 57.042 -57.077 1.00 12.66 H new -ATOM 0 2HA GLY F 530 -5.363 56.187 -55.645 1.00 12.66 H new -ATOM 3781 N ASN F 531 -6.826 55.616 -57.894 1.00 20.83 -ATOM 3782 CA ASN F 531 -7.962 55.200 -58.692 1.00 22.44 -ATOM 3783 C ASN F 531 -8.482 53.828 -58.238 1.00 28.77 -ATOM 3784 O ASN F 531 -7.903 52.794 -58.573 1.00 24.00 -ATOM 3785 CB ASN F 531 -7.554 55.181 -60.157 1.00 26.82 -ATOM 3786 CG ASN F 531 -8.730 55.057 -61.083 1.00 27.73 -ATOM 3787 OD1 ASN F 531 -9.821 54.674 -60.669 1.00 25.50 -ATOM 3788 ND2 ASN F 531 -8.512 55.363 -62.359 1.00 25.79 -ATOM 0 H ASN F 531 -6.010 55.051 -58.015 1.00 20.83 H new -ATOM 0 HA ASN F 531 -8.787 55.915 -58.557 1.00 22.44 H new -ATOM 0 1HB ASN F 531 -7.003 56.103 -60.392 1.00 26.82 H new -ATOM 0 2HB ASN F 531 -6.865 54.341 -60.331 1.00 26.82 H new -ATOM 0 1HD2 ASN F 531 -9.253 55.285 -63.026 1.00 25.79 H new -ATOM 0 2HD2 ASN F 531 -7.607 55.671 -62.652 1.00 25.79 H new -ATOM 3789 N ALA F 532 -9.563 53.828 -57.455 1.00 21.85 -ATOM 3790 CA ALA F 532 -10.095 52.596 -56.894 1.00 21.65 -ATOM 3791 C ALA F 532 -10.587 51.650 -57.977 1.00 18.89 -ATOM 3792 O ALA F 532 -10.618 50.427 -57.790 1.00 12.27 -ATOM 3793 CB ALA F 532 -11.218 52.890 -55.894 1.00 19.57 -ATOM 0 H ALA F 532 -10.072 54.651 -57.204 1.00 21.85 H new -ATOM 0 HA ALA F 532 -9.270 52.099 -56.362 1.00 21.65 H new -ATOM 0 1HB ALA F 532 -11.602 51.944 -55.485 1.00 19.57 H new -ATOM 0 2HB ALA F 532 -10.827 53.511 -55.075 1.00 19.57 H new -ATOM 0 3HB ALA F 532 -12.032 53.426 -56.403 1.00 19.57 H new -ATOM 3794 N MET F 533 -10.979 52.219 -59.107 1.00 16.87 -ATOM 3795 CA MET F 533 -11.470 51.418 -60.215 1.00 27.45 -ATOM 3796 C MET F 533 -10.368 50.551 -60.814 1.00 20.45 -ATOM 3797 O MET F 533 -10.648 49.572 -61.495 1.00 15.36 -ATOM 3798 CB MET F 533 -12.107 52.310 -61.280 1.00 26.92 -ATOM 3799 CG MET F 533 -13.423 52.925 -60.818 1.00 26.01 -ATOM 3800 SD MET F 533 -14.233 53.930 -62.066 1.00 36.04 -ATOM 3801 CE MET F 533 -14.418 52.749 -63.398 1.00 45.33 -ATOM 0 H MET F 533 -10.967 53.205 -59.276 1.00 16.87 H new -ATOM 0 HA MET F 533 -12.242 50.739 -59.823 1.00 27.45 H new -ATOM 0 1HB MET F 533 -11.405 53.113 -61.548 1.00 26.92 H new -ATOM 0 2HB MET F 533 -12.282 51.719 -62.191 1.00 26.92 H new -ATOM 0 1HG MET F 533 -14.105 52.119 -60.511 1.00 26.01 H new -ATOM 0 2HG MET F 533 -13.235 53.544 -59.928 1.00 26.01 H new -ATOM 0 1HE MET F 533 -14.585 53.285 -64.344 1.00 45.33 H new -ATOM 0 2HE MET F 533 -13.505 52.141 -63.479 1.00 45.33 H new -ATOM 0 3HE MET F 533 -15.277 52.094 -63.191 1.00 45.33 H new -ATOM 3802 N LYS F 534 -9.121 50.895 -60.512 1.00 19.44 -ATOM 3803 CA LYS F 534 -7.972 50.265 -61.143 1.00 19.79 -ATOM 3804 C LYS F 534 -6.982 49.637 -60.170 1.00 18.34 -ATOM 3805 O LYS F 534 -6.501 48.531 -60.399 1.00 20.22 -ATOM 3806 CB LYS F 534 -7.219 51.280 -62.003 1.00 26.23 -ATOM 3807 CG LYS F 534 -7.789 51.535 -63.380 1.00 21.95 -ATOM 3808 CD LYS F 534 -6.960 52.631 -64.063 1.00 29.06 -ATOM 3809 CE LYS F 534 -7.051 52.546 -65.568 1.00 28.86 -ATOM 3810 NZ LYS F 534 -6.120 53.504 -66.209 1.00 55.02 -ATOM 0 H LYS F 534 -8.886 51.599 -59.842 1.00 19.44 H new -ATOM 0 HA LYS F 534 -8.392 49.449 -61.750 1.00 19.79 H new -ATOM 0 1HB LYS F 534 -7.184 52.236 -61.460 1.00 26.23 H new -ATOM 0 2HB LYS F 534 -6.180 50.936 -62.116 1.00 26.23 H new -ATOM 0 1HG LYS F 534 -7.767 50.612 -63.978 1.00 21.95 H new -ATOM 0 2HG LYS F 534 -8.842 51.845 -63.305 1.00 21.95 H new -ATOM 0 1HD LYS F 534 -7.311 53.619 -63.729 1.00 29.06 H new -ATOM 0 2HD LYS F 534 -5.908 52.542 -63.753 1.00 29.06 H new -ATOM 0 1HE LYS F 534 -6.815 51.523 -65.897 1.00 28.86 H new -ATOM 0 2HE LYS F 534 -8.081 52.758 -65.890 1.00 28.86 H new -ATOM 0 1HZ LYS F 534 -6.608 54.027 -66.908 1.00 55.02 H + new -ATOM 0 2HZ LYS F 534 -5.757 54.130 -65.518 1.00 55.02 H + new -ATOM 0 3HZ LYS F 534 -5.366 53.003 -66.634 1.00 55.02 H + new -ATOM 3811 N PHE F 535 -6.657 50.332 -59.089 1.00 16.45 -ATOM 3812 CA PHE F 535 -5.517 49.893 -58.285 1.00 22.29 -ATOM 3813 C PHE F 535 -5.833 49.370 -56.877 1.00 11.76 -ATOM 3814 O PHE F 535 -4.930 49.173 -56.068 1.00 12.87 -ATOM 3815 CB PHE F 535 -4.413 50.966 -58.280 1.00 15.90 -ATOM 3816 CG PHE F 535 -3.991 51.385 -59.661 1.00 13.88 -ATOM 3817 CD1 PHE F 535 -4.375 52.612 -60.176 1.00 18.74 -ATOM 3818 CD2 PHE F 535 -3.263 50.521 -60.471 1.00 20.99 -ATOM 3819 CE1 PHE F 535 -4.009 52.994 -61.463 1.00 24.66 -ATOM 3820 CE2 PHE F 535 -2.902 50.889 -61.768 1.00 20.39 -ATOM 3821 CZ PHE F 535 -3.271 52.133 -62.260 1.00 21.57 -ATOM 0 H PHE F 535 -7.130 51.150 -58.762 1.00 16.45 H new -ATOM 0 HA PHE F 535 -5.148 48.991 -58.795 1.00 22.29 H new -ATOM 0 1HB PHE F 535 -4.770 51.848 -57.729 1.00 15.90 H new -ATOM 0 2HB PHE F 535 -3.538 50.580 -57.737 1.00 15.90 H new -ATOM 0 HD1 PHE F 535 -4.978 53.294 -59.559 1.00 18.74 H new -ATOM 0 HD2 PHE F 535 -2.968 49.534 -60.085 1.00 20.99 H new -ATOM 0 HE1 PHE F 535 -4.306 53.981 -61.848 1.00 24.66 H new -ATOM 0 HE2 PHE F 535 -2.327 50.195 -62.398 1.00 20.39 H new -ATOM 0 HZ PHE F 535 -2.979 52.434 -63.277 1.00 21.57 H new -ATOM 3822 N LEU F 536 -7.101 49.111 -56.594 1.00 8.75 -ATOM 3823 CA LEU F 536 -7.443 48.598 -55.270 1.00 15.92 -ATOM 3824 C LEU F 536 -6.580 47.413 -54.868 1.00 15.42 -ATOM 3825 O LEU F 536 -6.106 47.370 -53.742 1.00 15.78 -ATOM 3826 CB LEU F 536 -8.926 48.251 -55.145 1.00 9.66 -ATOM 3827 CG LEU F 536 -9.828 49.394 -54.650 1.00 26.93 -ATOM 3828 CD1 LEU F 536 -11.190 48.856 -54.261 1.00 24.81 -ATOM 3829 CD2 LEU F 536 -9.217 50.158 -53.477 1.00 10.29 -ATOM 0 H LEU F 536 -7.870 49.237 -57.221 1.00 8.75 H new -ATOM 0 HA LEU F 536 -7.232 49.419 -54.569 1.00 15.92 H new -ATOM 0 1HB LEU F 536 -9.291 47.917 -56.127 1.00 9.66 H new -ATOM 0 2HB LEU F 536 -9.030 47.400 -54.456 1.00 9.66 H new -ATOM 0 HG LEU F 536 -9.932 50.104 -55.484 1.00 26.93 H new -ATOM 0 1HD1 LEU F 536 -11.825 49.683 -53.909 1.00 24.81 H new -ATOM 0 2HD1 LEU F 536 -11.660 48.380 -55.134 1.00 24.81 H new -ATOM 0 3HD1 LEU F 536 -11.076 48.114 -53.457 1.00 24.81 H new -ATOM 0 1HD2 LEU F 536 -9.902 50.961 -53.165 1.00 10.29 H new -ATOM 0 2HD2 LEU F 536 -9.053 49.469 -52.635 1.00 10.29 H new -ATOM 0 3HD2 LEU F 536 -8.256 50.596 -53.785 1.00 10.29 H new -ATOM 3830 N PRO F 537 -6.352 46.463 -55.794 1.00 19.14 -ATOM 3831 CA PRO F 537 -5.599 45.246 -55.468 1.00 13.49 -ATOM 3832 C PRO F 537 -4.112 45.506 -55.272 1.00 10.82 -ATOM 3833 O PRO F 537 -3.401 44.686 -54.704 1.00 13.40 -ATOM 3834 CB PRO F 537 -5.847 44.354 -56.682 1.00 18.36 -ATOM 3835 CG PRO F 537 -7.126 44.859 -57.248 1.00 23.27 -ATOM 3836 CD PRO F 537 -7.017 46.340 -57.096 1.00 15.12 -ATOM 0 HA PRO F 537 -5.922 44.800 -54.516 1.00 13.49 H new -ATOM 0 1HB PRO F 537 -5.027 44.430 -57.411 1.00 18.36 H new -ATOM 0 2HB PRO F 537 -5.925 43.295 -56.394 1.00 18.36 H new -ATOM 0 1HG PRO F 537 -7.245 44.568 -58.302 1.00 23.27 H new -ATOM 0 2HG PRO F 537 -7.995 44.459 -56.704 1.00 23.27 H new -ATOM 0 1HD PRO F 537 -6.426 46.795 -57.905 1.00 15.12 H new -ATOM 0 2HD PRO F 537 -8.002 46.829 -57.103 1.00 15.12 H new -ATOM 3837 N ASN F 538 -3.646 46.656 -55.714 1.00 8.90 -ATOM 3838 CA ASN F 538 -2.271 47.033 -55.451 1.00 17.22 -ATOM 3839 C ASN F 538 -2.083 47.446 -53.994 1.00 18.22 -ATOM 3840 O ASN F 538 -1.005 47.270 -53.418 1.00 15.80 -ATOM 3841 CB ASN F 538 -1.828 48.160 -56.391 1.00 16.21 -ATOM 3842 CG ASN F 538 -1.779 47.734 -57.856 1.00 18.39 -ATOM 3843 OD1 ASN F 538 -2.815 47.567 -58.513 1.00 9.76 -ATOM 3844 ND2 ASN F 538 -0.567 47.589 -58.382 1.00 18.55 -ATOM 0 H ASN F 538 -4.177 47.323 -56.237 1.00 8.90 H new -ATOM 0 HA ASN F 538 -1.638 46.153 -55.640 1.00 17.22 H new -ATOM 0 1HB ASN F 538 -2.518 49.010 -56.286 1.00 16.21 H new -ATOM 0 2HB ASN F 538 -0.833 48.514 -56.085 1.00 16.21 H new -ATOM 0 1HD2 ASN F 538 -0.467 47.336 -59.344 1.00 18.55 H new -ATOM 0 2HD2 ASN F 538 0.244 47.733 -57.816 1.00 18.55 H new -ATOM 3845 N PHE F 539 -3.136 47.998 -53.403 1.00 10.92 -ATOM 3846 CA PHE F 539 -3.072 48.465 -52.012 1.00 16.46 -ATOM 3847 C PHE F 539 -3.506 47.424 -50.979 1.00 9.92 -ATOM 3848 O PHE F 539 -2.943 47.350 -49.890 1.00 16.03 -ATOM 3849 CB PHE F 539 -3.929 49.722 -51.810 1.00 17.63 -ATOM 3850 CG PHE F 539 -3.448 50.947 -52.565 1.00 15.91 -ATOM 3851 CD1 PHE F 539 -2.421 51.730 -52.066 1.00 11.99 -ATOM 3852 CD2 PHE F 539 -4.075 51.341 -53.740 1.00 6.89 -ATOM 3853 CE1 PHE F 539 -2.021 52.865 -52.731 1.00 12.62 -ATOM 3854 CE2 PHE F 539 -3.677 52.479 -54.412 1.00 7.24 -ATOM 3855 CZ PHE F 539 -2.648 53.238 -53.916 1.00 8.70 -ATOM 0 H PHE F 539 -4.022 48.132 -53.847 1.00 10.92 H new -ATOM 0 HA PHE F 539 -2.007 48.681 -51.844 1.00 16.46 H new -ATOM 0 1HB PHE F 539 -4.961 49.499 -52.120 1.00 17.63 H new -ATOM 0 2HB PHE F 539 -3.960 49.959 -50.736 1.00 17.63 H new -ATOM 0 HD1 PHE F 539 -1.921 51.442 -51.130 1.00 11.99 H new -ATOM 0 HD2 PHE F 539 -4.902 50.737 -54.141 1.00 6.89 H new -ATOM 0 HE1 PHE F 539 -1.204 53.479 -52.325 1.00 12.62 H new -ATOM 0 HE2 PHE F 539 -4.183 52.776 -55.342 1.00 7.24 H new -ATOM 0 HZ PHE F 539 -2.319 54.140 -54.454 1.00 8.70 H new -ATOM 3856 N PHE F 540 -4.514 46.628 -51.313 1.00 13.44 -ATOM 3857 CA PHE F 540 -5.136 45.727 -50.329 1.00 13.58 -ATOM 3858 C PHE F 540 -5.024 44.254 -50.679 1.00 12.59 -ATOM 3859 O PHE F 540 -5.396 43.848 -51.769 1.00 11.84 -ATOM 3860 CB PHE F 540 -6.610 46.092 -50.156 1.00 6.89 -ATOM 3861 CG PHE F 540 -6.826 47.528 -49.790 1.00 13.54 -ATOM 3862 CD1 PHE F 540 -7.644 48.342 -50.554 1.00 18.09 -ATOM 3863 CD2 PHE F 540 -6.196 48.077 -48.681 1.00 9.04 -ATOM 3864 CE1 PHE F 540 -7.838 49.673 -50.211 1.00 10.56 -ATOM 3865 CE2 PHE F 540 -6.385 49.401 -48.344 1.00 8.73 -ATOM 3866 CZ PHE F 540 -7.205 50.197 -49.108 1.00 6.89 -ATOM 0 H PHE F 540 -4.913 46.583 -52.229 1.00 13.44 H new -ATOM 0 HA PHE F 540 -4.578 45.869 -49.392 1.00 13.58 H new -ATOM 0 1HB PHE F 540 -7.146 45.875 -51.091 1.00 6.89 H new -ATOM 0 2HB PHE F 540 -7.050 45.452 -49.377 1.00 6.89 H new -ATOM 0 HD1 PHE F 540 -8.146 47.930 -51.442 1.00 18.09 H new -ATOM 0 HD2 PHE F 540 -5.538 47.448 -48.063 1.00 9.04 H new -ATOM 0 HE1 PHE F 540 -8.497 50.308 -50.821 1.00 10.56 H new -ATOM 0 HE2 PHE F 540 -5.879 49.821 -47.462 1.00 8.73 H new -ATOM 0 HZ PHE F 540 -7.355 51.253 -48.837 1.00 6.89 H new -ATOM 3867 N GLU F 541 -4.527 43.460 -49.737 1.00 13.74 -ATOM 3868 CA GLU F 541 -4.532 42.004 -49.857 1.00 10.18 -ATOM 3869 C GLU F 541 -5.946 41.442 -50.017 1.00 10.23 -ATOM 3870 O GLU F 541 -6.942 42.117 -49.750 1.00 11.91 -ATOM 3871 CB GLU F 541 -3.917 41.396 -48.610 1.00 22.32 -ATOM 3872 CG GLU F 541 -2.540 41.917 -48.259 1.00 29.32 -ATOM 3873 CD GLU F 541 -1.442 40.967 -48.660 1.00 50.58 -ATOM 3874 OE1 GLU F 541 -0.503 40.766 -47.856 1.00 57.76 -ATOM 3875 OE2 GLU F 541 -1.526 40.408 -49.774 1.00 57.30 -ATOM 0 H GLU F 541 -4.119 43.797 -48.889 1.00 13.74 H new -ATOM 0 HA GLU F 541 -3.952 41.747 -50.756 1.00 10.18 H new -ATOM 0 1HB GLU F 541 -4.590 41.580 -47.760 1.00 22.32 H new -ATOM 0 2HB GLU F 541 -3.857 40.306 -48.743 1.00 22.32 H new -ATOM 0 1HG GLU F 541 -2.381 42.886 -48.755 1.00 29.32 H new -ATOM 0 2HG GLU F 541 -2.486 42.098 -47.175 1.00 29.32 H new -ATOM 3876 N LYS F 542 -6.033 40.188 -50.438 1.00 12.97 -ATOM 3877 CA LYS F 542 -7.318 39.511 -50.577 1.00 16.18 -ATOM 3878 C LYS F 542 -8.011 39.429 -49.217 1.00 16.04 -ATOM 3879 O LYS F 542 -7.382 39.087 -48.211 1.00 9.31 -ATOM 3880 CB LYS F 542 -7.099 38.106 -51.131 1.00 12.92 -ATOM 3881 CG LYS F 542 -8.364 37.352 -51.514 1.00 15.51 -ATOM 3882 CD LYS F 542 -8.026 35.915 -51.926 1.00 11.43 -ATOM 3883 CE LYS F 542 -9.258 35.148 -52.403 1.00 32.43 -ATOM 3884 NZ LYS F 542 -8.918 34.053 -53.365 1.00 19.68 -ATOM 0 H LYS F 542 -5.243 39.627 -50.685 1.00 12.97 H new -ATOM 0 HA LYS F 542 -7.955 40.080 -51.271 1.00 16.18 H new -ATOM 0 1HB LYS F 542 -6.452 38.177 -52.018 1.00 12.92 H new -ATOM 0 2HB LYS F 542 -6.553 37.515 -50.381 1.00 12.92 H new -ATOM 0 1HG LYS F 542 -9.064 37.342 -50.666 1.00 15.51 H new -ATOM 0 2HG LYS F 542 -8.870 37.869 -52.343 1.00 15.51 H new -ATOM 0 1HD LYS F 542 -7.273 35.932 -52.728 1.00 11.43 H new -ATOM 0 2HD LYS F 542 -7.575 35.387 -51.073 1.00 11.43 H new -ATOM 0 1HE LYS F 542 -9.777 34.719 -51.533 1.00 32.43 H new -ATOM 0 2HE LYS F 542 -9.958 35.848 -52.883 1.00 32.43 H new -ATOM 0 1HZ LYS F 542 -9.755 33.584 -53.646 1.00 19.68 H + new -ATOM 0 2HZ LYS F 542 -8.469 34.443 -54.169 1.00 19.68 H + new -ATOM 0 3HZ LYS F 542 -8.302 33.400 -52.924 1.00 19.68 H + new -ATOM 3885 N GLY F 543 -9.297 39.769 -49.199 1.00 11.24 -ATOM 3886 CA GLY F 543 -10.090 39.766 -47.984 1.00 10.19 -ATOM 3887 C GLY F 543 -9.605 40.694 -46.875 1.00 13.50 -ATOM 3888 O GLY F 543 -9.945 40.494 -45.710 1.00 12.68 -ATOM 0 H GLY F 543 -9.805 40.048 -50.014 1.00 11.24 H new -ATOM 0 1HA GLY F 543 -11.123 40.042 -48.242 1.00 10.19 H new -ATOM 0 2HA GLY F 543 -10.120 38.739 -47.590 1.00 10.19 H new -ATOM 3889 N GLN F 544 -8.825 41.713 -47.221 1.00 10.98 -ATOM 3890 CA GLN F 544 -8.300 42.625 -46.202 1.00 14.65 -ATOM 3891 C GLN F 544 -9.330 43.569 -45.556 1.00 9.53 -ATOM 3892 O GLN F 544 -9.271 43.810 -44.360 1.00 14.25 -ATOM 3893 CB GLN F 544 -7.132 43.446 -46.739 1.00 18.46 -ATOM 3894 CG GLN F 544 -6.550 44.413 -45.703 1.00 19.66 -ATOM 3895 CD GLN F 544 -5.271 45.075 -46.167 1.00 11.85 -ATOM 3896 OE1 GLN F 544 -4.624 44.597 -47.097 1.00 18.24 -ATOM 3897 NE2 GLN F 544 -4.892 46.179 -45.518 1.00 7.68 -ATOM 0 H GLN F 544 -8.550 41.924 -48.159 1.00 10.98 H new -ATOM 0 HA GLN F 544 -7.966 41.950 -45.400 1.00 14.65 H new -ATOM 0 1HB GLN F 544 -6.339 42.764 -47.081 1.00 18.46 H new -ATOM 0 2HB GLN F 544 -7.467 44.017 -47.618 1.00 18.46 H new -ATOM 0 1HG GLN F 544 -7.296 45.188 -45.474 1.00 19.66 H new -ATOM 0 2HG GLN F 544 -6.356 43.867 -44.768 1.00 19.66 H new -ATOM 0 1HE2 GLN F 544 -4.051 46.651 -45.783 1.00 7.68 H new -ATOM 0 2HE2 GLN F 544 -5.449 46.533 -44.767 1.00 7.68 H new -ATOM 3898 N LEU F 545 -10.263 44.110 -46.332 1.00 11.86 -ATOM 3899 CA LEU F 545 -11.173 45.131 -45.790 1.00 12.40 -ATOM 3900 C LEU F 545 -12.423 44.534 -45.170 1.00 14.94 -ATOM 3901 O LEU F 545 -12.884 43.464 -45.582 1.00 12.53 -ATOM 3902 CB LEU F 545 -11.574 46.157 -46.859 1.00 8.59 -ATOM 3903 CG LEU F 545 -10.384 46.755 -47.610 1.00 13.75 -ATOM 3904 CD1 LEU F 545 -10.813 47.563 -48.834 1.00 12.90 -ATOM 3905 CD2 LEU F 545 -9.545 47.579 -46.648 1.00 13.68 -ATOM 0 H LEU F 545 -10.410 43.877 -47.293 1.00 11.86 H new -ATOM 0 HA LEU F 545 -10.608 45.639 -44.995 1.00 12.40 H new -ATOM 0 1HB LEU F 545 -12.249 45.676 -47.582 1.00 8.59 H new -ATOM 0 2HB LEU F 545 -12.141 46.969 -46.381 1.00 8.59 H new -ATOM 0 HG LEU F 545 -9.770 45.931 -48.002 1.00 13.75 H new -ATOM 0 1HD1 LEU F 545 -9.923 47.970 -49.336 1.00 12.90 H new -ATOM 0 2HD1 LEU F 545 -11.361 46.911 -49.531 1.00 12.90 H new -ATOM 0 3HD1 LEU F 545 -11.465 48.391 -48.518 1.00 12.90 H new -ATOM 0 1HD2 LEU F 545 -8.688 48.011 -47.185 1.00 13.68 H new -ATOM 0 2HD2 LEU F 545 -10.159 48.389 -46.227 1.00 13.68 H new -ATOM 0 3HD2 LEU F 545 -9.180 46.935 -45.834 1.00 13.68 H new -ATOM 3906 N SER F 546 -12.967 45.237 -44.176 1.00 16.90 -ATOM 3907 CA SER F 546 -14.202 44.822 -43.514 1.00 6.91 -ATOM 3908 C SER F 546 -15.365 45.640 -44.018 1.00 6.89 -ATOM 3909 O SER F 546 -16.495 45.166 -44.074 1.00 6.89 -ATOM 3910 CB SER F 546 -14.074 45.006 -42.021 1.00 11.77 -ATOM 3911 OG SER F 546 -12.918 44.351 -41.551 1.00 28.05 -ATOM 0 H SER F 546 -12.576 46.085 -43.818 1.00 16.90 H new -ATOM 0 HA SER F 546 -14.380 43.760 -43.740 1.00 6.91 H new -ATOM 0 1HB SER F 546 -14.965 44.604 -41.516 1.00 11.77 H new -ATOM 0 2HB SER F 546 -14.023 46.078 -41.778 1.00 11.77 H new -ATOM 0 HG SER F 546 -12.840 44.479 -40.562 1.00 28.05 H new -ATOM 3912 N LYS F 547 -15.078 46.877 -44.402 1.00 6.89 -ATOM 3913 CA LYS F 547 -16.120 47.783 -44.852 1.00 6.89 -ATOM 3914 C LYS F 547 -15.674 48.599 -46.041 1.00 10.79 -ATOM 3915 O LYS F 547 -14.505 49.018 -46.137 1.00 9.59 -ATOM 3916 CB LYS F 547 -16.500 48.759 -43.732 1.00 8.02 -ATOM 3917 CG LYS F 547 -16.723 48.148 -42.368 1.00 6.89 -ATOM 3918 CD LYS F 547 -16.916 49.232 -41.317 1.00 19.48 -ATOM 3919 CE LYS F 547 -17.194 48.656 -39.948 1.00 11.85 -ATOM 3920 NZ LYS F 547 -18.357 47.774 -40.041 1.00 11.91 -ATOM 0 H LYS F 547 -14.156 47.264 -44.410 1.00 6.89 H new -ATOM 0 HA LYS F 547 -16.981 47.160 -45.136 1.00 6.89 H new -ATOM 0 1HB LYS F 547 -15.706 49.516 -43.647 1.00 8.02 H new -ATOM 0 2HB LYS F 547 -17.418 49.288 -44.029 1.00 8.02 H new -ATOM 0 1HG LYS F 547 -17.607 47.493 -42.394 1.00 6.89 H new -ATOM 0 2HG LYS F 547 -15.863 47.517 -42.098 1.00 6.89 H new -ATOM 0 1HD LYS F 547 -16.015 49.861 -41.272 1.00 19.48 H new -ATOM 0 2HD LYS F 547 -17.750 49.885 -41.615 1.00 19.48 H new -ATOM 0 1HE LYS F 547 -16.319 48.097 -39.584 1.00 11.85 H new -ATOM 0 2HE LYS F 547 -17.384 49.463 -39.225 1.00 11.85 H new -ATOM 0 1HZ LYS F 547 -18.752 47.645 -39.131 1.00 11.91 H + new -ATOM 0 2HZ LYS F 547 -19.040 48.185 -40.645 1.00 11.91 H + new -ATOM 0 3HZ LYS F 547 -18.076 46.888 -40.410 1.00 11.91 H + new -ATOM 3921 N MET F 548 -16.618 48.841 -46.939 1.00 6.89 -ATOM 3922 CA MET F 548 -16.378 49.739 -48.060 1.00 8.53 -ATOM 3923 C MET F 548 -17.546 50.698 -48.197 1.00 10.57 -ATOM 3924 O MET F 548 -18.715 50.283 -48.258 1.00 8.88 -ATOM 3925 CB MET F 548 -16.164 48.979 -49.383 1.00 6.89 -ATOM 3926 CG MET F 548 -14.868 48.187 -49.475 1.00 15.47 -ATOM 3927 SD MET F 548 -14.653 47.352 -51.089 1.00 16.82 -ATOM 3928 CE MET F 548 -14.144 48.742 -52.103 1.00 10.34 -ATOM 0 H MET F 548 -17.533 48.439 -46.915 1.00 6.89 H new -ATOM 0 HA MET F 548 -15.452 50.295 -47.851 1.00 8.53 H new -ATOM 0 1HB MET F 548 -17.008 48.289 -49.531 1.00 6.89 H new -ATOM 0 2HB MET F 548 -16.192 49.703 -50.211 1.00 6.89 H new -ATOM 0 1HG MET F 548 -14.018 48.864 -49.303 1.00 15.47 H new -ATOM 0 2HG MET F 548 -14.847 47.434 -48.673 1.00 15.47 H new -ATOM 0 1HE MET F 548 -14.490 48.589 -53.136 1.00 10.34 H new -ATOM 0 2HE MET F 548 -14.582 49.668 -51.703 1.00 10.34 H new -ATOM 0 3HE MET F 548 -13.047 48.822 -52.093 1.00 10.34 H new -ATOM 3929 N PHE F 549 -17.227 51.985 -48.267 1.00 6.89 -ATOM 3930 CA PHE F 549 -18.271 52.997 -48.356 1.00 14.86 -ATOM 3931 C PHE F 549 -18.262 53.664 -49.711 1.00 17.08 -ATOM 3932 O PHE F 549 -17.208 54.048 -50.236 1.00 13.79 -ATOM 3933 CB PHE F 549 -18.095 54.066 -47.275 1.00 10.19 -ATOM 3934 CG PHE F 549 -18.335 53.572 -45.880 1.00 14.67 -ATOM 3935 CD1 PHE F 549 -17.324 52.938 -45.168 1.00 13.13 -ATOM 3936 CD2 PHE F 549 -19.575 53.760 -45.267 1.00 15.76 -ATOM 3937 CE1 PHE F 549 -17.551 52.476 -43.870 1.00 18.82 -ATOM 3938 CE2 PHE F 549 -19.812 53.305 -43.982 1.00 12.13 -ATOM 3939 CZ PHE F 549 -18.795 52.660 -43.279 1.00 16.33 -ATOM 0 H PHE F 549 -16.292 52.340 -48.264 1.00 6.89 H new -ATOM 0 HA PHE F 549 -19.233 52.485 -48.207 1.00 14.86 H new -ATOM 0 1HB PHE F 549 -17.074 54.471 -47.338 1.00 10.19 H new -ATOM 0 2HB PHE F 549 -18.785 54.898 -47.481 1.00 10.19 H new -ATOM 0 HD1 PHE F 549 -16.336 52.799 -45.631 1.00 13.13 H new -ATOM 0 HD2 PHE F 549 -20.376 54.278 -45.814 1.00 15.76 H new -ATOM 0 HE1 PHE F 549 -16.747 51.968 -43.317 1.00 18.82 H new -ATOM 0 HE2 PHE F 549 -20.798 53.451 -43.517 1.00 12.13 H new -ATOM 0 HZ PHE F 549 -18.978 52.297 -42.257 1.00 16.33 H new -ATOM 3940 N PHE F 550 -19.450 53.804 -50.273 1.00 21.98 -ATOM 3941 CA PHE F 550 -19.644 54.599 -51.476 1.00 20.01 -ATOM 3942 C PHE F 550 -20.771 55.555 -51.139 1.00 21.10 -ATOM 3943 O PHE F 550 -21.942 55.214 -51.312 1.00 18.74 -ATOM 3944 CB PHE F 550 -20.077 53.734 -52.662 1.00 16.12 -ATOM 3945 CG PHE F 550 -19.094 52.672 -53.048 1.00 16.65 -ATOM 3946 CD1 PHE F 550 -19.125 51.420 -52.444 1.00 8.61 -ATOM 3947 CD2 PHE F 550 -18.166 52.905 -54.062 1.00 23.04 -ATOM 3948 CE1 PHE F 550 -18.235 50.442 -52.810 1.00 16.08 -ATOM 3949 CE2 PHE F 550 -17.264 51.918 -54.446 1.00 14.73 -ATOM 3950 CZ PHE F 550 -17.301 50.688 -53.817 1.00 20.21 -ATOM 0 H PHE F 550 -20.285 53.383 -49.920 1.00 21.98 H new -ATOM 0 HA PHE F 550 -18.709 55.102 -51.763 1.00 20.01 H new -ATOM 0 1HB PHE F 550 -21.037 53.256 -52.419 1.00 16.12 H new -ATOM 0 2HB PHE F 550 -20.253 54.386 -53.530 1.00 16.12 H new -ATOM 0 HD1 PHE F 550 -19.872 51.211 -51.664 1.00 8.61 H new -ATOM 0 HD2 PHE F 550 -18.147 53.883 -54.565 1.00 23.04 H new -ATOM 0 HE1 PHE F 550 -18.258 49.463 -52.309 1.00 16.08 H new -ATOM 0 HE2 PHE F 550 -16.530 52.114 -55.241 1.00 14.73 H new -ATOM 0 HZ PHE F 550 -16.592 49.900 -54.111 1.00 20.21 H new -ATOM 3951 N CYS F 551 -20.434 56.736 -50.634 1.00 27.05 -ATOM 3952 CA CYS F 551 -21.468 57.675 -50.205 1.00 34.75 -ATOM 3953 C CYS F 551 -21.525 58.892 -51.098 1.00 26.57 -ATOM 3954 O CYS F 551 -20.532 59.588 -51.289 1.00 31.76 -ATOM 3955 CB CYS F 551 -21.310 58.070 -48.739 1.00 33.16 -ATOM 3956 SG CYS F 551 -19.630 58.046 -48.179 1.00 68.12 -ATOM 0 H CYS F 551 -19.494 57.057 -50.515 1.00 27.05 H new -ATOM 0 HA CYS F 551 -22.430 57.150 -50.299 1.00 34.75 H new -ATOM 0 1HB CYS F 551 -21.723 59.079 -48.593 1.00 33.16 H new -ATOM 0 2HB CYS F 551 -21.905 57.386 -48.117 1.00 33.16 H new -ATOM 0 HG CYS F 551 -19.423 59.054 -47.385 1.00 68.12 H new -ATOM 3957 N PHE F 552 -22.709 59.117 -51.651 1.00 25.27 -ATOM 3958 CA PHE F 552 -22.935 60.141 -52.656 1.00 34.78 -ATOM 3959 C PHE F 552 -21.886 60.063 -53.744 1.00 33.33 -ATOM 3960 O PHE F 552 -21.128 61.006 -53.949 1.00 35.31 -ATOM 3961 CB PHE F 552 -23.005 61.541 -52.022 1.00 33.18 -ATOM 3962 CG PHE F 552 -23.994 61.629 -50.893 1.00 27.64 -ATOM 3963 CD1 PHE F 552 -23.573 61.527 -49.576 1.00 20.84 -ATOM 3964 CD2 PHE F 552 -25.348 61.764 -51.151 1.00 31.86 -ATOM 3965 CE1 PHE F 552 -24.483 61.580 -48.527 1.00 25.40 -ATOM 3966 CE2 PHE F 552 -26.268 61.821 -50.109 1.00 45.27 -ATOM 3967 CZ PHE F 552 -25.834 61.726 -48.792 1.00 30.20 -ATOM 0 H PHE F 552 -23.530 58.598 -51.415 1.00 25.27 H new -ATOM 0 HA PHE F 552 -23.913 59.954 -53.125 1.00 34.78 H new -ATOM 0 1HB PHE F 552 -22.008 61.819 -51.650 1.00 33.18 H new -ATOM 0 2HB PHE F 552 -23.275 62.274 -52.796 1.00 33.18 H new -ATOM 0 HD1 PHE F 552 -22.502 61.402 -49.358 1.00 20.84 H new -ATOM 0 HD2 PHE F 552 -25.700 61.827 -52.191 1.00 31.86 H new -ATOM 0 HE1 PHE F 552 -24.130 61.506 -47.488 1.00 25.40 H new -ATOM 0 HE2 PHE F 552 -27.339 61.941 -50.327 1.00 45.27 H new -ATOM 0 HZ PHE F 552 -26.559 61.767 -47.966 1.00 30.20 H new -ATOM 3968 N PRO F 553 -21.835 58.918 -54.440 1.00 42.95 -ATOM 3969 CA PRO F 553 -21.004 58.767 -55.632 1.00 39.46 -ATOM 3970 C PRO F 553 -21.511 59.702 -56.710 1.00 44.76 -ATOM 3971 O PRO F 553 -22.714 59.951 -56.777 1.00 43.80 -ATOM 3972 CB PRO F 553 -21.275 57.319 -56.051 1.00 40.03 -ATOM 3973 CG PRO F 553 -22.591 56.999 -55.440 1.00 31.83 -ATOM 3974 CD PRO F 553 -22.509 57.654 -54.112 1.00 34.39 -ATOM 0 HA PRO F 553 -19.940 58.988 -55.465 1.00 39.46 H new -ATOM 0 1HB PRO F 553 -21.306 57.217 -57.146 1.00 40.03 H new -ATOM 0 2HB PRO F 553 -20.488 56.642 -55.687 1.00 40.03 H new -ATOM 0 1HG PRO F 553 -23.425 57.394 -56.038 1.00 31.83 H new -ATOM 0 2HG PRO F 553 -22.745 55.914 -55.350 1.00 31.83 H new -ATOM 0 1HD PRO F 553 -23.503 57.819 -53.671 1.00 34.39 H new -ATOM 0 2HD PRO F 553 -21.933 57.055 -53.391 1.00 34.39 H new -ATOM 3975 N ASP F 554 -20.605 60.219 -57.533 1.00 52.49 -ATOM 3976 CA ASP F 554 -20.986 61.084 -58.641 1.00 54.89 -ATOM 3977 C ASP F 554 -21.813 60.344 -59.679 1.00 53.89 -ATOM 3978 O ASP F 554 -21.390 59.307 -60.187 1.00 61.07 -ATOM 3979 CB ASP F 554 -19.745 61.675 -59.310 1.00 64.78 -ATOM 3980 CG ASP F 554 -19.341 63.005 -58.710 1.00 94.49 -ATOM 3981 OD1 ASP F 554 -20.210 63.684 -58.122 1.00 88.95 -ATOM 3982 OD2 ASP F 554 -18.155 63.376 -58.830 1.00103.31 -ATOM 0 H ASP F 554 -19.621 60.057 -57.454 1.00 52.49 H new -ATOM 0 HA ASP F 554 -21.602 61.893 -58.222 1.00 54.89 H new -ATOM 0 1HB ASP F 554 -18.909 60.966 -59.217 1.00 64.78 H new -ATOM 0 2HB ASP F 554 -19.939 61.805 -60.385 1.00 64.78 H new -ATOM 3983 N PRO F 555 -23.007 60.868 -59.991 1.00 61.19 -ATOM 3984 CA PRO F 555 -23.724 60.364 -61.163 1.00 65.98 -ATOM 3985 C PRO F 555 -22.772 60.419 -62.352 1.00 72.40 -ATOM 3986 O PRO F 555 -22.716 61.418 -63.068 1.00 65.69 -ATOM 3987 CB PRO F 555 -24.861 61.369 -61.325 1.00 80.60 -ATOM 3988 CG PRO F 555 -25.116 61.862 -59.927 1.00 68.19 -ATOM 3989 CD PRO F 555 -23.770 61.900 -59.264 1.00 56.87 -ATOM 0 HA PRO F 555 -24.091 59.331 -61.078 1.00 65.98 H new -ATOM 0 1HB PRO F 555 -24.577 62.193 -61.997 1.00 80.60 H new -ATOM 0 2HB PRO F 555 -25.757 60.897 -61.755 1.00 80.60 H new -ATOM 0 1HG PRO F 555 -25.581 62.859 -59.937 1.00 68.19 H new -ATOM 0 2HG PRO F 555 -25.803 61.192 -59.390 1.00 68.19 H new -ATOM 0 1HD PRO F 555 -23.301 62.891 -59.354 1.00 56.87 H new -ATOM 0 2HD PRO F 555 -23.839 61.673 -58.190 1.00 56.87 H new -ATOM 3990 N ARG F 565 -19.390 55.529 -63.214 1.00 62.64 -ATOM 3991 CA ARG F 565 -19.726 54.291 -62.523 1.00 55.56 -ATOM 3992 C ARG F 565 -18.561 53.637 -61.781 1.00 53.72 -ATOM 3993 O ARG F 565 -17.721 52.997 -62.402 1.00 40.08 -ATOM 3994 CB ARG F 565 -20.298 53.300 -63.533 1.00 53.96 -ATOM 3995 CG ARG F 565 -20.883 53.955 -64.782 1.00 67.75 -ATOM 3996 CD ARG F 565 -22.406 53.960 -64.778 1.00 64.20 -ATOM 3997 NE ARG F 565 -22.965 54.645 -63.616 1.00 77.06 -ATOM 3998 CZ ARG F 565 -24.253 54.950 -63.477 1.00 74.67 -ATOM 3999 NH1 ARG F 565 -25.124 54.632 -64.435 1.00 55.12 -ATOM 4000 NH2 ARG F 565 -24.671 55.575 -62.379 1.00 50.09 -ATOM 0 HA ARG F 565 -20.460 54.561 -61.750 1.00 55.56 H new -ATOM 0 1HB ARG F 565 -19.504 52.601 -63.836 1.00 53.96 H new -ATOM 0 2HB ARG F 565 -21.082 52.704 -63.043 1.00 53.96 H new -ATOM 0 1HG ARG F 565 -20.516 54.989 -64.856 1.00 67.75 H new -ATOM 0 2HG ARG F 565 -20.524 53.422 -65.674 1.00 67.75 H new -ATOM 0 1HD ARG F 565 -22.769 54.447 -65.695 1.00 64.20 H new -ATOM 0 2HD ARG F 565 -22.772 52.923 -64.798 1.00 64.20 H new -ATOM 0 HE ARG F 565 -22.341 54.901 -62.878 1.00 77.06 H + new -ATOM 0 1HH1 ARG F 565 -24.810 54.163 -65.261 1.00 55.12 H + new -ATOM 0 2HH1 ARG F 565 -26.091 54.862 -64.328 1.00 55.12 H + new -ATOM 0 1HH2 ARG F 565 -24.018 55.814 -61.661 1.00 50.09 H + new -ATOM 0 2HH2 ARG F 565 -25.638 55.805 -62.272 1.00 50.09 H + new -ATOM 4001 N ILE F 566 -18.513 53.789 -60.457 1.00 41.77 -ATOM 4002 CA ILE F 566 -17.583 52.998 -59.662 1.00 31.31 -ATOM 4003 C ILE F 566 -18.267 51.723 -59.257 1.00 30.79 -ATOM 4004 O ILE F 566 -17.637 50.846 -58.679 1.00 42.58 -ATOM 4005 CB ILE F 566 -17.066 53.710 -58.384 1.00 35.23 -ATOM 4006 CG1 ILE F 566 -18.026 54.801 -57.935 1.00 40.22 -ATOM 4007 CG2 ILE F 566 -15.676 54.287 -58.599 1.00 56.68 -ATOM 4008 CD1 ILE F 566 -19.186 54.281 -57.133 1.00 37.02 -ATOM 0 H ILE F 566 -19.082 54.425 -59.936 1.00 41.77 H new -ATOM 0 HA ILE F 566 -16.702 52.820 -60.296 1.00 31.31 H new -ATOM 0 HB ILE F 566 -17.007 52.953 -57.589 1.00 35.23 H new -ATOM 0 1HG1 ILE F 566 -17.475 55.539 -57.333 1.00 40.22 H new -ATOM 0 2HG1 ILE F 566 -18.409 55.329 -58.820 1.00 40.22 H new -ATOM 0 1HG2 ILE F 566 -15.338 54.784 -57.678 1.00 56.68 H new -ATOM 0 2HG2 ILE F 566 -14.978 53.477 -58.855 1.00 56.68 H new -ATOM 0 3HG2 ILE F 566 -15.705 55.019 -59.420 1.00 56.68 H new -ATOM 0 1HD1 ILE F 566 -19.837 55.119 -56.843 1.00 37.02 H new -ATOM 0 2HD1 ILE F 566 -19.760 53.565 -57.739 1.00 37.02 H new -ATOM 0 3HD1 ILE F 566 -18.811 53.778 -56.229 1.00 37.02 H new -ATOM 4009 N ILE F 567 -19.562 51.627 -59.542 1.00 23.72 -ATOM 4010 CA ILE F 567 -20.291 50.379 -59.320 1.00 26.18 -ATOM 4011 C ILE F 567 -20.686 49.753 -60.646 1.00 27.47 -ATOM 4012 O ILE F 567 -21.451 50.327 -61.418 1.00 28.26 -ATOM 4013 CB ILE F 567 -21.552 50.539 -58.433 1.00 36.63 -ATOM 4014 CG1 ILE F 567 -21.210 50.418 -56.945 1.00 33.53 -ATOM 4015 CG2 ILE F 567 -22.541 49.429 -58.729 1.00 26.71 -ATOM 4016 CD1 ILE F 567 -20.016 51.227 -56.511 1.00 35.04 -ATOM 0 H ILE F 567 -20.114 52.373 -59.915 1.00 23.72 H new -ATOM 0 HA ILE F 567 -19.598 49.722 -58.774 1.00 26.18 H new -ATOM 0 HB ILE F 567 -21.970 51.532 -58.655 1.00 36.63 H new -ATOM 0 1HG1 ILE F 567 -22.084 50.731 -56.354 1.00 33.53 H new -ATOM 0 2HG1 ILE F 567 -21.025 49.360 -56.709 1.00 33.53 H new -ATOM 0 1HG2 ILE F 567 -23.431 49.552 -58.095 1.00 26.71 H new -ATOM 0 2HG2 ILE F 567 -22.837 49.473 -59.788 1.00 26.71 H new -ATOM 0 3HG2 ILE F 567 -22.074 48.455 -58.520 1.00 26.71 H new -ATOM 0 1HD1 ILE F 567 -19.845 51.081 -55.434 1.00 35.04 H new -ATOM 0 2HD1 ILE F 567 -19.128 50.900 -57.071 1.00 35.04 H new -ATOM 0 3HD1 ILE F 567 -20.202 52.293 -56.710 1.00 35.04 H new -ATOM 4017 N THR F 568 -20.151 48.562 -60.887 1.00 23.05 -ATOM 4018 CA THR F 568 -20.347 47.836 -62.131 1.00 27.13 -ATOM 4019 C THR F 568 -20.317 46.319 -61.866 1.00 30.45 -ATOM 4020 O THR F 568 -19.634 45.854 -60.947 1.00 20.14 -ATOM 4021 CB THR F 568 -19.269 48.237 -63.147 1.00 22.64 -ATOM 4022 OG1 THR F 568 -19.630 49.491 -63.749 1.00 29.34 -ATOM 4023 CG2 THR F 568 -19.135 47.193 -64.211 1.00 33.51 -ATOM 0 H THR F 568 -19.574 48.079 -60.228 1.00 23.05 H new -ATOM 0 HA THR F 568 -21.331 48.093 -62.551 1.00 27.13 H new -ATOM 0 HB THR F 568 -18.305 48.333 -62.625 1.00 22.64 H new -ATOM 0 HG1 THR F 568 -20.320 49.945 -63.186 1.00 29.34 H new -ATOM 0 1HG2 THR F 568 -18.359 47.498 -64.929 1.00 33.51 H new -ATOM 0 2HG2 THR F 568 -18.853 46.234 -63.751 1.00 33.51 H new -ATOM 0 3HG2 THR F 568 -20.095 47.079 -64.736 1.00 33.51 H new -ATOM 4024 N ASN F 569 -21.082 45.548 -62.636 1.00 25.19 -ATOM 4025 CA ASN F 569 -21.086 44.092 -62.477 1.00 30.34 -ATOM 4026 C ASN F 569 -19.673 43.560 -62.547 1.00 24.33 -ATOM 4027 O ASN F 569 -19.323 42.576 -61.903 1.00 20.22 -ATOM 4028 CB ASN F 569 -21.930 43.414 -63.558 1.00 21.75 -ATOM 4029 CG ASN F 569 -23.419 43.641 -63.366 1.00 69.17 -ATOM 4030 OD1 ASN F 569 -23.874 43.611 -62.109 1.00 71.71 flip -ATOM 4031 ND2 ASN F 569 -24.154 43.835 -64.337 1.00 48.86 flip -ATOM 0 H ASN F 569 -21.688 45.892 -63.353 1.00 25.19 H new -ATOM 0 HA ASN F 569 -21.526 43.865 -61.495 1.00 30.34 H new -ATOM 0 1HB ASN F 569 -21.629 43.795 -64.545 1.00 21.75 H new -ATOM 0 2HB ASN F 569 -21.724 42.333 -63.554 1.00 21.75 H new -ATOM 0 1HD2 ASN F 569 -25.134 43.978 -64.201 1.00 48.86 H new -ATOM 0 2HD2 ASN F 569 -23.770 43.849 -65.260 1.00 48.86 H new -ATOM 4032 N THR F 570 -18.861 44.258 -63.324 1.00 19.19 -ATOM 4033 CA THR F 570 -17.508 43.850 -63.620 1.00 22.84 -ATOM 4034 C THR F 570 -16.537 44.288 -62.508 1.00 19.66 -ATOM 4035 O THR F 570 -15.724 43.483 -62.040 1.00 14.21 -ATOM 4036 CB THR F 570 -17.130 44.340 -65.066 1.00 14.01 -ATOM 4037 OG1 THR F 570 -16.519 43.270 -65.785 1.00 27.31 -ATOM 4038 CG2 THR F 570 -16.248 45.572 -65.069 1.00 14.15 -ATOM 0 H THR F 570 -19.126 45.117 -63.761 1.00 19.19 H new -ATOM 0 HA THR F 570 -17.425 42.753 -63.630 1.00 22.84 H new -ATOM 0 HB THR F 570 -18.062 44.641 -65.566 1.00 14.01 H new -ATOM 0 HG1 THR F 570 -16.716 43.368 -66.761 1.00 27.31 H new -ATOM 0 1HG2 THR F 570 -16.023 45.860 -66.107 1.00 14.15 H new -ATOM 0 2HG2 THR F 570 -16.770 46.399 -64.565 1.00 14.15 H new -ATOM 0 3HG2 THR F 570 -15.310 45.353 -64.538 1.00 14.15 H new -ATOM 4039 N LEU F 571 -16.656 45.547 -62.073 1.00 17.19 -ATOM 4040 CA LEU F 571 -15.903 46.076 -60.932 1.00 15.97 -ATOM 4041 C LEU F 571 -16.221 45.397 -59.587 1.00 16.26 -ATOM 4042 O LEU F 571 -15.357 45.307 -58.701 1.00 12.72 -ATOM 4043 CB LEU F 571 -16.132 47.585 -60.807 1.00 21.00 -ATOM 4044 CG LEU F 571 -15.056 48.444 -61.467 1.00 30.25 -ATOM 4045 CD1 LEU F 571 -15.414 49.930 -61.431 1.00 26.68 -ATOM 4046 CD2 LEU F 571 -13.720 48.179 -60.794 1.00 17.93 -ATOM 0 H LEU F 571 -17.267 46.216 -62.496 1.00 17.19 H new -ATOM 0 HA LEU F 571 -14.847 45.853 -61.146 1.00 15.97 H new -ATOM 0 1HB LEU F 571 -17.106 47.834 -61.253 1.00 21.00 H new -ATOM 0 2HB LEU F 571 -16.190 47.847 -59.740 1.00 21.00 H new -ATOM 0 HG LEU F 571 -14.986 48.166 -62.529 1.00 30.25 H new -ATOM 0 1HD1 LEU F 571 -14.616 50.512 -61.915 1.00 26.68 H new -ATOM 0 2HD1 LEU F 571 -16.361 50.093 -61.966 1.00 26.68 H new -ATOM 0 3HD1 LEU F 571 -15.523 50.256 -60.386 1.00 26.68 H new -ATOM 0 1HD2 LEU F 571 -12.942 48.796 -61.267 1.00 17.93 H new -ATOM 0 2HD2 LEU F 571 -13.790 48.433 -59.726 1.00 17.93 H new -ATOM 0 3HD2 LEU F 571 -13.459 47.116 -60.901 1.00 17.93 H new -ATOM 4047 N LEU F 572 -17.451 44.912 -59.432 1.00 11.11 -ATOM 4048 CA LEU F 572 -17.849 44.252 -58.187 1.00 15.30 -ATOM 4049 C LEU F 572 -16.989 43.033 -57.833 1.00 17.16 -ATOM 4050 O LEU F 572 -16.766 42.751 -56.657 1.00 13.79 -ATOM 4051 CB LEU F 572 -19.342 43.885 -58.205 1.00 13.04 -ATOM 4052 CG LEU F 572 -20.271 45.105 -58.076 1.00 19.48 -ATOM 4053 CD1 LEU F 572 -21.746 44.749 -58.121 1.00 14.68 -ATOM 4054 CD2 LEU F 572 -19.953 45.894 -56.816 1.00 16.33 -ATOM 0 H LEU F 572 -18.168 44.960 -60.128 1.00 11.11 H new -ATOM 0 HA LEU F 572 -17.674 44.989 -57.389 1.00 15.30 H new -ATOM 0 1HB LEU F 572 -19.571 43.356 -59.142 1.00 13.04 H new -ATOM 0 2HB LEU F 572 -19.550 43.186 -57.382 1.00 13.04 H new -ATOM 0 HG LEU F 572 -20.075 45.732 -58.958 1.00 19.48 H new -ATOM 0 1HD1 LEU F 572 -22.348 45.665 -58.024 1.00 14.68 H new -ATOM 0 2HD1 LEU F 572 -21.976 44.259 -59.079 1.00 14.68 H new -ATOM 0 3HD1 LEU F 572 -21.984 44.065 -57.293 1.00 14.68 H new -ATOM 0 1HD2 LEU F 572 -20.628 46.760 -56.745 1.00 16.33 H new -ATOM 0 2HD2 LEU F 572 -20.090 45.250 -55.935 1.00 16.33 H new -ATOM 0 3HD2 LEU F 572 -18.911 46.244 -56.855 1.00 16.33 H new -ATOM 4055 N SER F 573 -16.494 42.324 -58.849 1.00 18.08 -ATOM 4056 CA SER F 573 -15.673 41.131 -58.620 1.00 13.18 -ATOM 4057 C SER F 573 -14.331 41.488 -57.998 1.00 10.13 -ATOM 4058 O SER F 573 -13.790 40.735 -57.189 1.00 10.84 -ATOM 4059 CB SER F 573 -15.461 40.357 -59.917 1.00 8.24 -ATOM 4060 OG SER F 573 -16.706 40.028 -60.490 1.00 14.24 -ATOM 0 H SER F 573 -16.642 42.547 -59.812 1.00 18.08 H new -ATOM 0 HA SER F 573 -16.219 40.490 -57.912 1.00 13.18 H new -ATOM 0 1HB SER F 573 -14.886 39.441 -59.718 1.00 8.24 H new -ATOM 0 2HB SER F 573 -14.871 40.961 -60.622 1.00 8.24 H new -ATOM 0 HG SER F 573 -16.559 39.522 -61.340 1.00 14.24 H new -ATOM 4061 N GLU F 574 -13.798 42.644 -58.373 1.00 11.96 -ATOM 4062 CA GLU F 574 -12.553 43.128 -57.791 1.00 16.02 -ATOM 4063 C GLU F 574 -12.781 43.617 -56.368 1.00 17.24 -ATOM 4064 O GLU F 574 -11.951 43.382 -55.494 1.00 12.40 -ATOM 4065 CB GLU F 574 -11.938 44.227 -58.653 1.00 10.98 -ATOM 4066 CG GLU F 574 -11.910 43.870 -60.137 1.00 14.58 -ATOM 4067 CD GLU F 574 -10.989 44.773 -60.936 1.00 28.10 -ATOM 4068 OE1 GLU F 574 -9.950 45.184 -60.383 1.00 29.75 -ATOM 4069 OE2 GLU F 574 -11.302 45.074 -62.112 1.00 44.09 -ATOM 0 H GLU F 574 -14.198 43.249 -59.061 1.00 11.96 H new -ATOM 0 HA GLU F 574 -11.842 42.289 -57.756 1.00 16.02 H new -ATOM 0 1HB GLU F 574 -12.509 45.157 -58.515 1.00 10.98 H new -ATOM 0 2HB GLU F 574 -10.912 44.425 -58.309 1.00 10.98 H new -ATOM 0 1HG GLU F 574 -11.585 42.826 -60.253 1.00 14.58 H new -ATOM 0 2HG GLU F 574 -12.929 43.937 -60.546 1.00 14.58 H new -ATOM 4070 N TYR F 575 -13.908 44.282 -56.129 1.00 9.97 -ATOM 4071 CA TYR F 575 -14.239 44.699 -54.769 1.00 16.08 -ATOM 4072 C TYR F 575 -14.436 43.466 -53.891 1.00 12.18 -ATOM 4073 O TYR F 575 -13.924 43.397 -52.777 1.00 9.83 -ATOM 4074 CB TYR F 575 -15.484 45.596 -54.736 1.00 11.77 -ATOM 4075 CG TYR F 575 -15.334 46.892 -55.503 1.00 18.11 -ATOM 4076 CD1 TYR F 575 -16.451 47.550 -56.016 1.00 21.98 -ATOM 4077 CD2 TYR F 575 -14.076 47.450 -55.737 1.00 14.95 -ATOM 4078 CE1 TYR F 575 -16.324 48.738 -56.728 1.00 19.33 -ATOM 4079 CE2 TYR F 575 -13.941 48.645 -56.445 1.00 20.42 -ATOM 4080 CZ TYR F 575 -15.071 49.282 -56.936 1.00 22.98 -ATOM 4081 OH TYR F 575 -14.960 50.460 -57.638 1.00 23.47 -ATOM 0 H TYR F 575 -14.580 44.534 -56.826 1.00 9.97 H new -ATOM 0 HA TYR F 575 -13.402 45.296 -54.377 1.00 16.08 H new -ATOM 0 1HB TYR F 575 -16.337 45.036 -55.147 1.00 11.77 H new -ATOM 0 2HB TYR F 575 -15.727 45.829 -53.689 1.00 11.77 H new -ATOM 0 HD1 TYR F 575 -17.451 47.122 -55.855 1.00 21.98 H new -ATOM 0 HD2 TYR F 575 -13.178 46.940 -55.358 1.00 14.95 H new -ATOM 0 HE1 TYR F 575 -17.218 49.243 -57.124 1.00 19.33 H new -ATOM 0 HE2 TYR F 575 -12.944 49.079 -56.613 1.00 20.42 H new -ATOM 0 HH TYR F 575 -15.843 50.690 -58.047 1.00 23.47 H new -ATOM 4082 N ALA F 576 -15.163 42.485 -54.406 1.00 10.19 -ATOM 4083 CA ALA F 576 -15.353 41.243 -53.671 1.00 7.59 -ATOM 4084 C ALA F 576 -14.017 40.683 -53.230 1.00 6.89 -ATOM 4085 O ALA F 576 -13.898 40.152 -52.135 1.00 8.96 -ATOM 4086 CB ALA F 576 -16.087 40.261 -54.493 1.00 6.89 -ATOM 0 H ALA F 576 -15.615 42.522 -55.297 1.00 10.19 H new -ATOM 0 HA ALA F 576 -15.953 41.455 -52.774 1.00 7.59 H new -ATOM 0 1HB ALA F 576 -16.221 39.331 -53.922 1.00 6.89 H new -ATOM 0 2HB ALA F 576 -17.072 40.670 -54.762 1.00 6.89 H new -ATOM 0 3HB ALA F 576 -15.516 40.049 -55.409 1.00 6.89 H new -ATOM 4087 N TYR F 577 -13.009 40.825 -54.082 1.00 8.69 -ATOM 4088 CA TYR F 577 -11.671 40.304 -53.799 1.00 12.84 -ATOM 4089 C TYR F 577 -11.028 40.907 -52.533 1.00 12.00 -ATOM 4090 O TYR F 577 -10.474 40.178 -51.712 1.00 8.53 -ATOM 4091 CB TYR F 577 -10.740 40.475 -55.026 1.00 6.89 -ATOM 4092 CG TYR F 577 -9.396 39.839 -54.851 1.00 6.89 -ATOM 4093 CD1 TYR F 577 -9.201 38.516 -55.157 1.00 6.89 -ATOM 4094 CD2 TYR F 577 -8.322 40.564 -54.367 1.00 6.89 -ATOM 4095 CE1 TYR F 577 -7.980 37.923 -54.985 1.00 8.07 -ATOM 4096 CE2 TYR F 577 -7.084 39.984 -54.194 1.00 6.89 -ATOM 4097 CZ TYR F 577 -6.922 38.663 -54.507 1.00 11.94 -ATOM 4098 OH TYR F 577 -5.694 38.066 -54.352 1.00 22.53 -ATOM 0 H TYR F 577 -13.089 41.290 -54.964 1.00 8.69 H new -ATOM 0 HA TYR F 577 -11.800 39.231 -53.593 1.00 12.84 H new -ATOM 0 1HB TYR F 577 -11.229 40.041 -55.910 1.00 6.89 H new -ATOM 0 2HB TYR F 577 -10.605 41.548 -55.227 1.00 6.89 H new -ATOM 0 HD1 TYR F 577 -10.040 37.922 -55.547 1.00 6.89 H new -ATOM 0 HD2 TYR F 577 -8.459 41.626 -54.115 1.00 6.89 H new -ATOM 0 HE1 TYR F 577 -7.844 36.859 -55.228 1.00 8.07 H new -ATOM 0 HE2 TYR F 577 -6.239 40.575 -53.810 1.00 6.89 H new -ATOM 0 HH TYR F 577 -5.040 38.735 -54.000 1.00 22.53 H new -ATOM 4099 N VAL F 578 -11.075 42.232 -52.391 1.00 6.89 -ATOM 4100 CA VAL F 578 -10.406 42.896 -51.272 1.00 6.89 -ATOM 4101 C VAL F 578 -11.291 42.981 -50.006 1.00 9.82 -ATOM 4102 O VAL F 578 -10.809 43.272 -48.903 1.00 6.89 -ATOM 4103 CB VAL F 578 -9.922 44.319 -51.663 1.00 16.42 -ATOM 4104 CG1 VAL F 578 -8.845 44.238 -52.703 1.00 9.09 -ATOM 4105 CG2 VAL F 578 -11.092 45.188 -52.156 1.00 8.03 -ATOM 0 H VAL F 578 -11.554 42.848 -53.016 1.00 6.89 H new -ATOM 0 HA VAL F 578 -9.535 42.268 -51.032 1.00 6.89 H new -ATOM 0 HB VAL F 578 -9.505 44.797 -50.764 1.00 16.42 H new -ATOM 0 1HG1 VAL F 578 -8.514 45.253 -52.968 1.00 9.09 H new -ATOM 0 2HG1 VAL F 578 -7.993 43.667 -52.306 1.00 9.09 H new -ATOM 0 3HG1 VAL F 578 -9.237 43.735 -53.599 1.00 9.09 H new -ATOM 0 1HG2 VAL F 578 -10.719 46.187 -52.425 1.00 8.03 H new -ATOM 0 2HG2 VAL F 578 -11.551 44.719 -53.038 1.00 8.03 H new -ATOM 0 3HG2 VAL F 578 -11.843 45.280 -51.358 1.00 8.03 H new -ATOM 4106 N LEU F 579 -12.589 42.745 -50.179 1.00 8.85 -ATOM 4107 CA LEU F 579 -13.541 42.731 -49.070 1.00 7.15 -ATOM 4108 C LEU F 579 -13.678 41.303 -48.512 1.00 11.98 -ATOM 4109 O LEU F 579 -14.047 40.368 -49.235 1.00 10.25 -ATOM 4110 CB LEU F 579 -14.909 43.196 -49.556 1.00 7.26 -ATOM 4111 CG LEU F 579 -15.650 44.263 -48.749 1.00 20.10 -ATOM 4112 CD1 LEU F 579 -17.141 44.087 -48.937 1.00 15.67 -ATOM 4113 CD2 LEU F 579 -15.280 44.246 -47.261 1.00 9.03 -ATOM 0 H LEU F 579 -13.002 42.562 -51.071 1.00 8.85 H new -ATOM 0 HA LEU F 579 -13.172 43.406 -48.283 1.00 7.15 H new -ATOM 0 1HB LEU F 579 -14.787 43.577 -50.581 1.00 7.26 H new -ATOM 0 2HB LEU F 579 -15.560 42.311 -49.617 1.00 7.26 H new -ATOM 0 HG LEU F 579 -15.340 45.248 -49.129 1.00 20.10 H new -ATOM 0 1HD1 LEU F 579 -17.677 44.853 -48.358 1.00 15.67 H new -ATOM 0 2HD1 LEU F 579 -17.392 44.192 -50.003 1.00 15.67 H new -ATOM 0 3HD1 LEU F 579 -17.440 43.088 -48.587 1.00 15.67 H new -ATOM 0 1HD2 LEU F 579 -15.841 45.032 -46.734 1.00 9.03 H new -ATOM 0 2HD2 LEU F 579 -15.531 43.265 -46.831 1.00 9.03 H new -ATOM 0 3HD2 LEU F 579 -14.201 44.429 -47.149 1.00 9.03 H new -ATOM 4114 N LYS F 580 -13.385 41.132 -47.229 1.00 12.00 -ATOM 4115 CA LYS F 580 -13.500 39.815 -46.600 1.00 10.28 -ATOM 4116 C LYS F 580 -14.913 39.255 -46.691 1.00 7.50 -ATOM 4117 O LYS F 580 -15.881 39.996 -46.914 1.00 10.30 -ATOM 4118 CB LYS F 580 -13.107 39.882 -45.132 1.00 7.50 -ATOM 4119 CG LYS F 580 -14.209 40.491 -44.247 1.00 12.41 -ATOM 4120 CD LYS F 580 -13.771 40.613 -42.803 1.00 14.16 -ATOM 4121 CE LYS F 580 -14.968 40.772 -41.883 1.00 20.13 -ATOM 4122 NZ LYS F 580 -14.549 41.107 -40.497 1.00 27.38 -ATOM 0 H LYS F 580 -13.076 41.862 -46.619 1.00 12.00 H new -ATOM 0 HA LYS F 580 -12.817 39.150 -47.149 1.00 10.28 H new -ATOM 0 1HB LYS F 580 -12.873 38.869 -44.773 1.00 7.50 H new -ATOM 0 2HB LYS F 580 -12.189 40.479 -45.030 1.00 7.50 H new -ATOM 0 1HG LYS F 580 -14.481 41.485 -44.632 1.00 12.41 H new -ATOM 0 2HG LYS F 580 -15.112 39.866 -44.304 1.00 12.41 H new -ATOM 0 1HD LYS F 580 -13.197 39.721 -42.513 1.00 14.16 H new -ATOM 0 2HD LYS F 580 -13.100 41.477 -42.691 1.00 14.16 H new -ATOM 0 1HE LYS F 580 -15.627 41.563 -42.270 1.00 20.13 H new -ATOM 0 2HE LYS F 580 -15.553 39.841 -41.876 1.00 20.13 H new -ATOM 0 1HZ LYS F 580 -15.358 41.205 -39.918 1.00 27.38 H + new -ATOM 0 2HZ LYS F 580 -13.969 40.376 -40.138 1.00 27.38 H + new -ATOM 0 3HZ LYS F 580 -14.037 41.966 -40.501 1.00 27.38 H + new -ATOM 4123 N GLU F 581 -15.029 37.943 -46.520 1.00 7.14 -ATOM 4124 CA GLU F 581 -16.334 37.306 -46.365 1.00 9.79 -ATOM 4125 C GLU F 581 -16.956 37.851 -45.081 1.00 11.76 -ATOM 4126 O GLU F 581 -16.318 37.864 -44.019 1.00 6.89 -ATOM 4127 CB GLU F 581 -16.196 35.773 -46.331 1.00 8.44 -ATOM 4128 CG GLU F 581 -15.448 35.222 -47.569 1.00 15.19 -ATOM 4129 CD GLU F 581 -15.325 33.710 -47.606 1.00 22.00 -ATOM 4130 OE1 GLU F 581 -15.354 33.088 -46.527 1.00 27.55 -ATOM 4131 OE2 GLU F 581 -15.189 33.146 -48.719 1.00 17.86 -ATOM 0 H GLU F 581 -14.254 37.313 -46.486 1.00 7.14 H new -ATOM 0 HA GLU F 581 -16.986 37.535 -47.221 1.00 9.79 H new -ATOM 0 1HB GLU F 581 -15.658 35.476 -45.419 1.00 8.44 H new -ATOM 0 2HB GLU F 581 -17.196 35.318 -46.278 1.00 8.44 H new -ATOM 0 1HG GLU F 581 -15.971 35.557 -48.477 1.00 15.19 H new -ATOM 0 2HG GLU F 581 -14.440 35.660 -47.598 1.00 15.19 H new -ATOM 4132 N GLY F 582 -18.183 38.349 -45.198 1.00 7.35 -ATOM 4133 CA GLY F 582 -18.868 38.943 -44.073 1.00 6.89 -ATOM 4134 C GLY F 582 -18.695 40.441 -44.011 1.00 11.17 -ATOM 4135 O GLY F 582 -19.392 41.108 -43.254 1.00 13.20 -ATOM 0 H GLY F 582 -18.708 38.349 -46.049 1.00 7.35 H new -ATOM 0 1HA GLY F 582 -19.940 38.704 -44.134 1.00 6.89 H new -ATOM 0 2HA GLY F 582 -18.491 38.496 -43.141 1.00 6.89 H new -ATOM 4136 N GLY F 583 -17.766 40.980 -44.799 1.00 10.74 -ATOM 4137 CA GLY F 583 -17.566 42.418 -44.851 1.00 6.89 -ATOM 4138 C GLY F 583 -18.783 43.072 -45.467 1.00 6.89 -ATOM 4139 O GLY F 583 -19.660 42.387 -45.998 1.00 7.91 -ATOM 0 H GLY F 583 -17.158 40.453 -45.393 1.00 10.74 H new -ATOM 0 1HA GLY F 583 -17.396 42.813 -43.839 1.00 6.89 H new -ATOM 0 2HA GLY F 583 -16.669 42.654 -45.443 1.00 6.89 H new -ATOM 4140 N VAL F 584 -18.880 44.392 -45.383 1.00 9.54 -ATOM 4141 CA VAL F 584 -20.036 45.045 -45.990 1.00 8.74 -ATOM 4142 C VAL F 584 -19.770 46.274 -46.871 1.00 11.02 -ATOM 4143 O VAL F 584 -18.811 47.021 -46.692 1.00 8.63 -ATOM 4144 CB VAL F 584 -21.226 45.262 -44.981 1.00 18.47 -ATOM 4145 CG1 VAL F 584 -20.867 44.806 -43.571 1.00 13.10 -ATOM 4146 CG2 VAL F 584 -21.761 46.698 -45.009 1.00 11.08 -ATOM 0 H VAL F 584 -18.222 44.997 -44.934 1.00 9.54 H new -ATOM 0 HA VAL F 584 -20.356 44.295 -46.728 1.00 8.74 H new -ATOM 0 HB VAL F 584 -22.051 44.619 -45.323 1.00 18.47 H new -ATOM 0 1HG1 VAL F 584 -21.723 44.975 -42.901 1.00 13.10 H new -ATOM 0 2HG1 VAL F 584 -20.618 43.735 -43.584 1.00 13.10 H new -ATOM 0 3HG1 VAL F 584 -20.001 45.379 -43.209 1.00 13.10 H new -ATOM 0 1HG2 VAL F 584 -22.587 46.796 -44.290 1.00 11.08 H new -ATOM 0 2HG2 VAL F 584 -20.955 47.396 -44.738 1.00 11.08 H new -ATOM 0 3HG2 VAL F 584 -22.125 46.934 -46.020 1.00 11.08 H new -ATOM 4147 N VAL F 585 -20.639 46.422 -47.857 1.00 11.09 -ATOM 4148 CA VAL F 585 -20.625 47.550 -48.752 1.00 13.96 -ATOM 4149 C VAL F 585 -21.762 48.455 -48.361 1.00 12.64 -ATOM 4150 O VAL F 585 -22.918 48.038 -48.320 1.00 10.40 -ATOM 4151 CB VAL F 585 -20.819 47.110 -50.217 1.00 11.49 -ATOM 4152 CG1 VAL F 585 -21.010 48.337 -51.122 1.00 9.44 -ATOM 4153 CG2 VAL F 585 -19.632 46.293 -50.664 1.00 7.33 -ATOM 0 H VAL F 585 -21.366 45.763 -48.051 1.00 11.09 H new -ATOM 0 HA VAL F 585 -19.653 48.060 -48.677 1.00 13.96 H new -ATOM 0 HB VAL F 585 -21.723 46.488 -50.291 1.00 11.49 H new -ATOM 0 1HG1 VAL F 585 -21.147 48.008 -52.163 1.00 9.44 H new -ATOM 0 2HG1 VAL F 585 -21.897 48.899 -50.796 1.00 9.44 H new -ATOM 0 3HG1 VAL F 585 -20.122 48.983 -51.056 1.00 9.44 H new -ATOM 0 1HG2 VAL F 585 -19.774 45.981 -51.709 1.00 7.33 H new -ATOM 0 2HG2 VAL F 585 -18.718 46.899 -50.584 1.00 7.33 H new -ATOM 0 3HG2 VAL F 585 -19.538 45.402 -50.025 1.00 7.33 H new -ATOM 4154 N TYR F 586 -21.416 49.701 -48.076 1.00 18.90 -ATOM 4155 CA TYR F 586 -22.373 50.701 -47.631 1.00 16.27 -ATOM 4156 C TYR F 586 -22.588 51.737 -48.739 1.00 22.76 -ATOM 4157 O TYR F 586 -21.651 52.214 -49.390 1.00 18.58 -ATOM 4158 CB TYR F 586 -21.862 51.407 -46.375 1.00 15.28 -ATOM 4159 CG TYR F 586 -21.659 50.535 -45.155 1.00 20.32 -ATOM 4160 CD1 TYR F 586 -20.407 50.003 -44.851 1.00 19.00 -ATOM 4161 CD2 TYR F 586 -22.711 50.275 -44.282 1.00 16.61 -ATOM 4162 CE1 TYR F 586 -20.216 49.227 -43.714 1.00 19.33 -ATOM 4163 CE2 TYR F 586 -22.528 49.508 -43.158 1.00 18.38 -ATOM 4164 CZ TYR F 586 -21.278 48.979 -42.874 1.00 15.22 -ATOM 4165 OH TYR F 586 -21.099 48.195 -41.739 1.00 21.77 -ATOM 0 H TYR F 586 -20.478 50.041 -48.146 1.00 18.90 H new -ATOM 0 HA TYR F 586 -23.324 50.199 -47.399 1.00 16.27 H new -ATOM 0 1HB TYR F 586 -20.905 51.892 -46.616 1.00 15.28 H new -ATOM 0 2HB TYR F 586 -22.571 52.206 -46.115 1.00 15.28 H new -ATOM 0 HD1 TYR F 586 -19.557 50.200 -45.521 1.00 19.00 H new -ATOM 0 HD2 TYR F 586 -23.706 50.691 -44.496 1.00 16.61 H new -ATOM 0 HE1 TYR F 586 -19.222 48.814 -43.487 1.00 19.33 H new -ATOM 0 HE2 TYR F 586 -23.374 49.313 -42.482 1.00 18.38 H new -ATOM 0 HH TYR F 586 -21.966 48.119 -41.246 1.00 21.77 H new -ATOM 4166 N THR F 587 -23.839 52.106 -48.920 1.00 23.26 -ATOM 4167 CA THR F 587 -24.244 52.887 -50.062 1.00 15.68 -ATOM 4168 C THR F 587 -25.271 53.919 -49.619 1.00 26.53 -ATOM 4169 O THR F 587 -26.272 53.572 -48.980 1.00 27.47 -ATOM 4170 CB THR F 587 -24.875 51.944 -51.091 1.00 19.10 -ATOM 4171 OG1 THR F 587 -23.900 51.611 -52.085 1.00 23.16 -ATOM 4172 CG2 THR F 587 -26.094 52.559 -51.752 1.00 18.02 -ATOM 0 H THR F 587 -24.584 51.877 -48.293 1.00 23.26 H new -ATOM 0 HA THR F 587 -23.378 53.402 -50.504 1.00 15.68 H new -ATOM 0 HB THR F 587 -25.208 51.038 -50.564 1.00 19.10 H new -ATOM 0 HG1 THR F 587 -24.085 52.129 -52.920 1.00 23.16 H new -ATOM 0 1HG2 THR F 587 -26.513 51.850 -52.481 1.00 18.02 H new -ATOM 0 2HG2 THR F 587 -26.850 52.788 -50.987 1.00 18.02 H new -ATOM 0 3HG2 THR F 587 -25.803 53.486 -52.268 1.00 18.02 H new -ATOM 4173 N ILE F 588 -25.013 55.186 -49.930 1.00 20.30 -ATOM 4174 CA ILE F 588 -26.015 56.238 -49.735 1.00 32.52 -ATOM 4175 C ILE F 588 -25.914 57.295 -50.832 1.00 31.43 -ATOM 4176 O ILE F 588 -24.835 57.752 -51.160 1.00 34.29 -ATOM 4177 CB ILE F 588 -25.929 56.910 -48.337 1.00 27.52 -ATOM 4178 CG1 ILE F 588 -27.056 57.930 -48.161 1.00 30.94 -ATOM 4179 CG2 ILE F 588 -24.588 57.578 -48.141 1.00 21.63 -ATOM 4180 CD1 ILE F 588 -27.200 58.451 -46.737 1.00 19.45 -ATOM 0 H ILE F 588 -24.144 55.505 -50.308 1.00 20.30 H new -ATOM 0 HA ILE F 588 -26.995 55.742 -49.794 1.00 32.52 H new -ATOM 0 HB ILE F 588 -26.040 56.124 -47.575 1.00 27.52 H new -ATOM 0 1HG1 ILE F 588 -26.876 58.780 -48.836 1.00 30.94 H new -ATOM 0 2HG1 ILE F 588 -28.006 57.469 -48.470 1.00 30.94 H new -ATOM 0 1HG2 ILE F 588 -24.553 58.045 -47.146 1.00 21.63 H new -ATOM 0 2HG2 ILE F 588 -23.788 56.827 -48.222 1.00 21.63 H new -ATOM 0 3HG2 ILE F 588 -24.445 58.349 -48.913 1.00 21.63 H new -ATOM 0 1HD1 ILE F 588 -28.027 59.175 -46.693 1.00 19.45 H new -ATOM 0 2HD1 ILE F 588 -27.412 57.612 -46.059 1.00 19.45 H new -ATOM 0 3HD1 ILE F 588 -26.265 58.943 -46.430 1.00 19.45 H new -ATOM 4181 N THR F 589 -27.052 57.663 -51.404 1.00 31.59 -ATOM 4182 CA THR F 589 -27.106 58.695 -52.422 1.00 34.29 -ATOM 4183 C THR F 589 -28.445 59.423 -52.334 1.00 41.37 -ATOM 4184 O THR F 589 -29.412 58.901 -51.776 1.00 34.32 -ATOM 4185 CB THR F 589 -26.918 58.101 -53.847 1.00 36.38 -ATOM 4186 OG1 THR F 589 -26.856 59.155 -54.814 1.00 37.35 -ATOM 4187 CG2 THR F 589 -28.059 57.174 -54.218 1.00 18.50 -ATOM 0 H THR F 589 -27.940 57.263 -51.179 1.00 31.59 H new -ATOM 0 HA THR F 589 -26.282 59.401 -52.242 1.00 34.29 H new -ATOM 0 HB THR F 589 -25.979 57.528 -53.843 1.00 36.38 H new -ATOM 0 HG1 THR F 589 -25.999 59.659 -54.704 1.00 37.35 H new -ATOM 0 1HG2 THR F 589 -27.893 56.774 -55.229 1.00 18.50 H new -ATOM 0 2HG2 THR F 589 -28.106 56.343 -53.498 1.00 18.50 H new -ATOM 0 3HG2 THR F 589 -29.007 57.731 -54.196 1.00 18.50 H new -ATOM 4188 N ASP F 590 -28.493 60.635 -52.875 1.00 45.06 -ATOM 4189 CA ASP F 590 -29.750 61.370 -52.980 1.00 42.96 -ATOM 4190 C ASP F 590 -30.390 61.216 -54.367 1.00 46.69 -ATOM 4191 O ASP F 590 -31.484 61.718 -54.618 1.00 50.87 -ATOM 4192 CB ASP F 590 -29.569 62.851 -52.618 1.00 40.54 -ATOM 4193 CG ASP F 590 -28.328 63.468 -53.238 1.00 47.78 -ATOM 4194 OD1 ASP F 590 -27.710 62.846 -54.129 1.00 60.39 -ATOM 4195 OD2 ASP F 590 -27.969 64.591 -52.823 1.00 68.63 -ATOM 0 H ASP F 590 -27.697 61.119 -53.239 1.00 45.06 H new -ATOM 0 HA ASP F 590 -30.441 60.926 -52.248 1.00 42.96 H new -ATOM 0 1HB ASP F 590 -30.455 63.414 -52.948 1.00 40.54 H new -ATOM 0 2HB ASP F 590 -29.513 62.951 -51.524 1.00 40.54 H new -ATOM 4196 N VAL F 591 -29.715 60.508 -55.264 1.00 34.96 -ATOM 4197 CA VAL F 591 -30.263 60.301 -56.598 1.00 36.64 -ATOM 4198 C VAL F 591 -30.934 58.937 -56.734 1.00 42.32 -ATOM 4199 O VAL F 591 -30.262 57.905 -56.787 1.00 40.60 -ATOM 4200 CB VAL F 591 -29.186 60.420 -57.678 1.00 37.10 -ATOM 4201 CG1 VAL F 591 -29.806 60.236 -59.052 1.00 32.80 -ATOM 4202 CG2 VAL F 591 -28.473 61.753 -57.564 1.00 25.00 -ATOM 0 H VAL F 591 -28.824 60.084 -55.101 1.00 34.96 H new -ATOM 0 HA VAL F 591 -31.015 61.092 -56.739 1.00 36.64 H new -ATOM 0 HB VAL F 591 -28.438 59.627 -57.534 1.00 37.10 H new -ATOM 0 1HG1 VAL F 591 -29.025 60.323 -59.822 1.00 32.80 H new -ATOM 0 2HG1 VAL F 591 -30.272 59.242 -59.114 1.00 32.80 H new -ATOM 0 3HG1 VAL F 591 -30.570 61.010 -59.217 1.00 32.80 H new -ATOM 0 1HG2 VAL F 591 -27.702 61.825 -58.345 1.00 25.00 H new -ATOM 0 2HG2 VAL F 591 -29.199 62.570 -57.689 1.00 25.00 H new -ATOM 0 3HG2 VAL F 591 -28.000 61.833 -56.574 1.00 25.00 H new -ATOM 4203 N LYS F 592 -32.262 58.946 -56.806 1.00 34.49 -ATOM 4204 CA LYS F 592 -33.037 57.722 -56.914 1.00 35.39 -ATOM 4205 C LYS F 592 -32.508 56.796 -58.011 1.00 30.88 -ATOM 4206 O LYS F 592 -32.348 55.600 -57.798 1.00 39.40 -ATOM 4207 CB LYS F 592 -34.515 58.041 -57.153 1.00 39.36 -ATOM 4208 CG LYS F 592 -35.451 56.897 -56.799 1.00 54.53 -ATOM 4209 CD LYS F 592 -36.754 56.957 -57.586 1.00 74.27 -ATOM 4210 CE LYS F 592 -37.680 55.800 -57.210 1.00 81.46 -ATOM 4211 NZ LYS F 592 -38.754 55.563 -58.219 1.00 77.27 -ATOM 0 H LYS F 592 -32.813 59.780 -56.791 1.00 34.49 H new -ATOM 0 HA LYS F 592 -32.934 57.188 -55.958 1.00 35.39 H new -ATOM 0 1HB LYS F 592 -34.791 58.926 -56.560 1.00 39.36 H new -ATOM 0 2HB LYS F 592 -34.658 58.306 -58.211 1.00 39.36 H new -ATOM 0 1HG LYS F 592 -34.948 55.939 -56.998 1.00 54.53 H new -ATOM 0 2HG LYS F 592 -35.673 56.927 -55.722 1.00 54.53 H new -ATOM 0 1HD LYS F 592 -37.260 57.914 -57.391 1.00 74.27 H new -ATOM 0 2HD LYS F 592 -36.537 56.922 -58.664 1.00 74.27 H new -ATOM 0 1HE LYS F 592 -37.084 54.883 -57.095 1.00 81.46 H new -ATOM 0 2HE LYS F 592 -38.141 56.009 -56.233 1.00 81.46 H new -ATOM 0 1HZ LYS F 592 -39.327 54.799 -57.923 1.00 77.27 H + new -ATOM 0 2HZ LYS F 592 -39.316 56.385 -58.308 1.00 77.27 H + new -ATOM 0 3HZ LYS F 592 -38.340 55.346 -59.103 1.00 77.27 H + new -ATOM 4212 N ASP F 593 -32.245 57.343 -59.187 1.00 38.66 -ATOM 4213 CA ASP F 593 -31.737 56.540 -60.294 1.00 42.66 -ATOM 4214 C ASP F 593 -30.399 55.896 -59.951 1.00 40.38 -ATOM 4215 O ASP F 593 -30.175 54.720 -60.235 1.00 33.76 -ATOM 4216 CB ASP F 593 -31.578 57.392 -61.551 1.00 42.39 -ATOM 4217 CG ASP F 593 -32.906 57.815 -62.138 1.00 75.95 -ATOM 4218 OD1 ASP F 593 -32.911 58.697 -63.026 1.00 87.13 -ATOM 4219 OD2 ASP F 593 -33.945 57.267 -61.711 1.00 77.97 -ATOM 0 H ASP F 593 -32.370 58.313 -59.397 1.00 38.66 H new -ATOM 0 HA ASP F 593 -32.473 55.744 -60.480 1.00 42.66 H new -ATOM 0 1HB ASP F 593 -30.986 58.287 -61.310 1.00 42.39 H new -ATOM 0 2HB ASP F 593 -31.012 56.825 -62.305 1.00 42.39 H new -ATOM 4220 N LEU F 594 -29.508 56.681 -59.352 1.00 38.60 -ATOM 4221 CA LEU F 594 -28.207 56.184 -58.933 1.00 30.84 -ATOM 4222 C LEU F 594 -28.358 55.055 -57.905 1.00 37.56 -ATOM 4223 O LEU F 594 -27.652 54.045 -57.952 1.00 37.91 -ATOM 4224 CB LEU F 594 -27.386 57.330 -58.353 1.00 19.32 -ATOM 4225 CG LEU F 594 -26.029 56.939 -57.774 1.00 44.13 -ATOM 4226 CD1 LEU F 594 -25.293 55.968 -58.697 1.00 37.29 -ATOM 4227 CD2 LEU F 594 -25.193 58.190 -57.517 1.00 51.12 -ATOM 0 H LEU F 594 -29.664 57.648 -59.151 1.00 38.60 H new -ATOM 0 HA LEU F 594 -27.685 55.773 -59.809 1.00 30.84 H new -ATOM 0 1HB LEU F 594 -27.226 58.079 -59.142 1.00 19.32 H new -ATOM 0 2HB LEU F 594 -27.976 57.817 -57.562 1.00 19.32 H new -ATOM 0 HG LEU F 594 -26.194 56.422 -56.817 1.00 44.13 H new -ATOM 0 1HD1 LEU F 594 -24.321 55.705 -58.254 1.00 37.29 H new -ATOM 0 2HD1 LEU F 594 -25.895 55.056 -58.826 1.00 37.29 H new -ATOM 0 3HD1 LEU F 594 -25.133 56.442 -59.676 1.00 37.29 H new -ATOM 0 1HD2 LEU F 594 -24.217 57.900 -57.100 1.00 51.12 H new -ATOM 0 2HD2 LEU F 594 -25.041 58.731 -58.463 1.00 51.12 H new -ATOM 0 3HD2 LEU F 594 -25.717 58.842 -56.803 1.00 51.12 H new -ATOM 4228 N HIS F 595 -29.297 55.233 -56.985 1.00 28.36 -ATOM 4229 CA HIS F 595 -29.550 54.254 -55.936 1.00 31.31 -ATOM 4230 C HIS F 595 -30.039 52.942 -56.529 1.00 30.07 -ATOM 4231 O HIS F 595 -29.622 51.866 -56.115 1.00 24.87 -ATOM 4232 CB HIS F 595 -30.580 54.811 -54.949 1.00 30.31 -ATOM 4233 CG HIS F 595 -31.123 53.796 -53.999 1.00 25.40 -ATOM 4234 ND1 HIS F 595 -30.395 53.307 -52.937 1.00 25.24 -ATOM 4235 CD2 HIS F 595 -32.327 53.184 -53.947 1.00 22.37 -ATOM 4236 CE1 HIS F 595 -31.128 52.437 -52.270 1.00 21.20 -ATOM 4237 NE2 HIS F 595 -32.304 52.344 -52.863 1.00 20.67 -ATOM 0 H HIS F 595 -29.889 56.038 -56.945 1.00 28.36 H new -ATOM 0 HA HIS F 595 -28.609 54.056 -55.402 1.00 31.31 H new -ATOM 0 1HB HIS F 595 -30.117 55.626 -54.373 1.00 30.31 H new -ATOM 0 2HB HIS F 595 -31.414 55.251 -55.515 1.00 30.31 H new -ATOM 0 HD2 HIS F 595 -33.166 53.332 -54.642 1.00 22.37 H new -ATOM 0 HE1 HIS F 595 -30.813 51.883 -51.373 1.00 21.20 H new -ATOM 0 HE2 HIS F 595 -33.057 51.756 -52.569 1.00 20.67 H new -ATOM 4238 N GLU F 596 -30.920 53.032 -57.513 1.00 30.10 -ATOM 4239 CA GLU F 596 -31.443 51.833 -58.142 1.00 38.95 -ATOM 4240 C GLU F 596 -30.396 51.148 -59.027 1.00 35.86 -ATOM 4241 O GLU F 596 -30.372 49.925 -59.146 1.00 39.85 -ATOM 4242 CB GLU F 596 -32.723 52.158 -58.907 1.00 38.50 -ATOM 4243 CG GLU F 596 -33.778 52.775 -58.009 1.00 44.18 -ATOM 4244 CD GLU F 596 -35.106 52.997 -58.702 1.00 65.31 -ATOM 4245 OE1 GLU F 596 -36.061 53.424 -58.020 1.00 66.31 -ATOM 4246 OE2 GLU F 596 -35.199 52.743 -59.922 1.00 74.61 -ATOM 0 H GLU F 596 -31.275 53.892 -57.880 1.00 30.10 H new -ATOM 0 HA GLU F 596 -31.693 51.109 -57.353 1.00 38.95 H new -ATOM 0 1HB GLU F 596 -32.492 52.850 -59.730 1.00 38.50 H new -ATOM 0 2HB GLU F 596 -33.121 51.239 -59.362 1.00 38.50 H new -ATOM 0 1HG GLU F 596 -33.933 52.123 -57.137 1.00 44.18 H new -ATOM 0 2HG GLU F 596 -33.407 53.738 -57.628 1.00 44.18 H new -ATOM 4247 N TRP F 597 -29.516 51.936 -59.628 1.00 30.47 -ATOM 4248 CA TRP F 597 -28.397 51.380 -60.378 1.00 31.41 -ATOM 4249 C TRP F 597 -27.521 50.545 -59.449 1.00 34.22 -ATOM 4250 O TRP F 597 -27.351 49.345 -59.656 1.00 29.54 -ATOM 4251 CB TRP F 597 -27.585 52.505 -61.021 1.00 27.88 -ATOM 4252 CG TRP F 597 -26.237 52.085 -61.558 1.00 38.74 -ATOM 4253 CD1 TRP F 597 -25.045 52.117 -60.895 1.00 37.24 -ATOM 4254 CD2 TRP F 597 -25.949 51.596 -62.872 1.00 28.29 -ATOM 4255 NE1 TRP F 597 -24.039 51.668 -61.709 1.00 34.34 -ATOM 4256 CE2 TRP F 597 -24.570 51.342 -62.928 1.00 32.46 -ATOM 4257 CE3 TRP F 597 -26.725 51.343 -64.003 1.00 33.95 -ATOM 4258 CZ2 TRP F 597 -23.952 50.849 -64.066 1.00 46.37 -ATOM 4259 CZ3 TRP F 597 -26.112 50.847 -65.132 1.00 38.54 -ATOM 4260 CH2 TRP F 597 -24.741 50.606 -65.157 1.00 50.11 -ATOM 0 H TRP F 597 -29.553 52.935 -59.612 1.00 30.47 H new -ATOM 0 HA TRP F 597 -28.781 50.731 -61.179 1.00 31.41 H new -ATOM 0 1HB TRP F 597 -28.173 52.939 -61.843 1.00 27.88 H new -ATOM 0 2HB TRP F 597 -27.436 53.302 -60.277 1.00 27.88 H new -ATOM 0 HD1 TRP F 597 -24.911 52.455 -59.857 1.00 37.24 H new -ATOM 0 HE1 TRP F 597 -23.075 51.591 -61.455 1.00 34.34 H new -ATOM 0 HE3 TRP F 597 -27.808 51.536 -63.993 1.00 33.95 H new -ATOM 0 HZ2 TRP F 597 -22.869 50.660 -64.091 1.00 46.37 H new -ATOM 0 HZ3 TRP F 597 -26.715 50.638 -66.028 1.00 38.54 H new -ATOM 0 HH2 TRP F 597 -24.282 50.211 -66.075 1.00 50.11 H new -ATOM 4261 N MET F 598 -26.987 51.184 -58.411 1.00 29.33 -ATOM 4262 CA MET F 598 -26.172 50.491 -57.426 1.00 20.49 -ATOM 4263 C MET F 598 -26.849 49.243 -56.906 1.00 23.05 -ATOM 4264 O MET F 598 -26.227 48.187 -56.810 1.00 29.62 -ATOM 4265 CB MET F 598 -25.852 51.412 -56.266 1.00 24.60 -ATOM 4266 CG MET F 598 -24.667 52.296 -56.529 1.00 15.03 -ATOM 4267 SD MET F 598 -24.517 53.519 -55.258 1.00 29.57 -ATOM 4268 CE MET F 598 -22.743 53.580 -55.045 1.00 33.23 -ATOM 0 H MET F 598 -27.104 52.162 -58.237 1.00 29.33 H new -ATOM 0 HA MET F 598 -25.242 50.189 -57.930 1.00 20.49 H new -ATOM 0 1HB MET F 598 -26.730 52.039 -56.050 1.00 24.60 H new -ATOM 0 2HB MET F 598 -25.659 50.808 -55.367 1.00 24.60 H new -ATOM 0 1HG MET F 598 -23.751 51.689 -56.573 1.00 15.03 H new -ATOM 0 2HG MET F 598 -24.776 52.786 -57.508 1.00 15.03 H new -ATOM 0 1HE MET F 598 -22.499 54.205 -54.173 1.00 33.23 H new -ATOM 0 2HE MET F 598 -22.357 52.562 -54.885 1.00 33.23 H new -ATOM 0 3HE MET F 598 -22.280 54.010 -55.945 1.00 33.23 H new -ATOM 4269 N VAL F 599 -28.129 49.354 -56.575 1.00 27.05 -ATOM 4270 CA VAL F 599 -28.857 48.214 -56.026 1.00 28.10 -ATOM 4271 C VAL F 599 -28.923 47.036 -57.011 1.00 25.86 -ATOM 4272 O VAL F 599 -28.712 45.884 -56.624 1.00 21.15 -ATOM 4273 CB VAL F 599 -30.280 48.604 -55.543 1.00 24.19 -ATOM 4274 CG1 VAL F 599 -31.145 47.367 -55.384 1.00 23.15 -ATOM 4275 CG2 VAL F 599 -30.213 49.382 -54.233 1.00 17.29 -ATOM 0 H VAL F 599 -28.668 50.190 -56.672 1.00 27.05 H new -ATOM 0 HA VAL F 599 -28.283 47.883 -55.148 1.00 28.10 H new -ATOM 0 HB VAL F 599 -30.736 49.253 -56.305 1.00 24.19 H new -ATOM 0 1HG1 VAL F 599 -32.148 47.662 -55.042 1.00 23.15 H new -ATOM 0 2HG1 VAL F 599 -31.226 46.849 -56.351 1.00 23.15 H new -ATOM 0 3HG1 VAL F 599 -30.689 46.693 -54.644 1.00 23.15 H new -ATOM 0 1HG2 VAL F 599 -31.231 49.647 -53.911 1.00 17.29 H new -ATOM 0 2HG2 VAL F 599 -29.735 48.761 -53.461 1.00 17.29 H new -ATOM 0 3HG2 VAL F 599 -29.625 50.300 -54.381 1.00 17.29 H new -ATOM 4276 N LYS F 600 -29.204 47.321 -58.279 1.00 30.70 -ATOM 4277 CA LYS F 600 -29.365 46.246 -59.256 1.00 29.11 -ATOM 4278 C LYS F 600 -28.100 45.429 -59.431 1.00 27.70 -ATOM 4279 O LYS F 600 -28.155 44.194 -59.459 1.00 21.41 -ATOM 4280 CB LYS F 600 -29.853 46.759 -60.612 1.00 30.15 -ATOM 4281 CG LYS F 600 -31.367 46.965 -60.683 1.00 67.21 -ATOM 4282 CD LYS F 600 -32.169 45.727 -60.235 1.00 83.12 -ATOM 4283 CE LYS F 600 -32.961 45.939 -58.926 1.00 62.59 -ATOM 4284 NZ LYS F 600 -32.414 45.254 -57.708 1.00 40.64 -ATOM 0 H LYS F 600 -29.321 48.245 -58.642 1.00 30.70 H new -ATOM 0 HA LYS F 600 -30.141 45.586 -58.842 1.00 29.11 H new -ATOM 0 1HB LYS F 600 -29.351 47.712 -60.835 1.00 30.15 H new -ATOM 0 2HB LYS F 600 -29.552 46.046 -61.394 1.00 30.15 H new -ATOM 0 1HG LYS F 600 -31.644 47.822 -60.051 1.00 67.21 H new -ATOM 0 2HG LYS F 600 -31.648 47.222 -61.715 1.00 67.21 H new -ATOM 0 1HD LYS F 600 -32.870 45.446 -61.035 1.00 83.12 H new -ATOM 0 2HD LYS F 600 -31.477 44.882 -60.102 1.00 83.12 H new -ATOM 0 1HE LYS F 600 -33.012 47.019 -58.723 1.00 62.59 H new -ATOM 0 2HE LYS F 600 -33.993 45.592 -59.085 1.00 62.59 H new -ATOM 0 1HZ LYS F 600 -32.988 45.469 -56.918 1.00 40.64 H + new -ATOM 0 2HZ LYS F 600 -32.407 44.265 -57.856 1.00 40.64 H + new -ATOM 0 3HZ LYS F 600 -31.481 45.571 -57.537 1.00 40.64 H + new -ATOM 4285 N HIS F 601 -26.960 46.109 -59.533 1.00 18.76 -ATOM 4286 CA HIS F 601 -25.699 45.397 -59.761 1.00 25.96 -ATOM 4287 C HIS F 601 -25.197 44.652 -58.532 1.00 15.70 -ATOM 4288 O HIS F 601 -24.755 43.515 -58.632 1.00 17.14 -ATOM 4289 CB HIS F 601 -24.626 46.326 -60.338 1.00 21.79 -ATOM 4290 CG HIS F 601 -25.047 46.974 -61.616 1.00 32.29 -ATOM 4291 ND1 HIS F 601 -25.541 46.439 -62.756 1.00 30.27 flip -ATOM 4292 CD2 HIS F 601 -25.045 48.339 -61.801 1.00 33.48 flip -ATOM 4293 CE1 HIS F 601 -25.807 47.480 -63.607 1.00 32.77 flip -ATOM 4294 NE2 HIS F 601 -25.498 48.615 -63.009 1.00 42.80 flip -ATOM 0 H HIS F 601 -26.881 47.104 -59.466 1.00 18.76 H new -ATOM 0 HA HIS F 601 -25.917 44.624 -60.513 1.00 25.96 H new -ATOM 0 1HB HIS F 601 -24.386 47.105 -59.599 1.00 21.79 H new -ATOM 0 2HB HIS F 601 -23.704 45.751 -60.510 1.00 21.79 H new -ATOM 0 HD2 HIS F 601 -24.717 49.082 -61.059 1.00 33.48 H new -ATOM 0 HE1 HIS F 601 -26.213 47.385 -64.625 1.00 32.77 H new -ATOM 0 HE2 HIS F 601 -25.591 49.529 -63.404 1.00 42.80 H new -ATOM 4295 N LEU F 602 -25.273 45.290 -57.374 1.00 20.21 -ATOM 4296 CA LEU F 602 -24.971 44.601 -56.121 1.00 21.30 -ATOM 4297 C LEU F 602 -25.830 43.349 -55.935 1.00 19.22 -ATOM 4298 O LEU F 602 -25.333 42.293 -55.550 1.00 21.16 -ATOM 4299 CB LEU F 602 -25.108 45.553 -54.927 1.00 10.60 -ATOM 4300 CG LEU F 602 -23.828 46.400 -54.870 1.00 19.15 -ATOM 4301 CD1 LEU F 602 -24.025 47.764 -54.246 1.00 11.81 -ATOM 4302 CD2 LEU F 602 -22.697 45.624 -54.187 1.00 9.33 -ATOM 0 H LEU F 602 -25.532 46.251 -57.274 1.00 20.21 H new -ATOM 0 HA LEU F 602 -23.924 44.267 -56.173 1.00 21.30 H new -ATOM 0 1HB LEU F 602 -25.993 46.195 -55.043 1.00 10.60 H new -ATOM 0 2HB LEU F 602 -25.241 44.987 -53.993 1.00 10.60 H new -ATOM 0 HG LEU F 602 -23.542 46.599 -55.913 1.00 19.15 H new -ATOM 0 1HD1 LEU F 602 -23.069 48.307 -54.241 1.00 11.81 H new -ATOM 0 2HD1 LEU F 602 -24.765 48.331 -54.829 1.00 11.81 H new -ATOM 0 3HD1 LEU F 602 -24.385 47.647 -53.213 1.00 11.81 H new -ATOM 0 1HD2 LEU F 602 -21.791 46.247 -54.156 1.00 9.33 H new -ATOM 0 2HD2 LEU F 602 -22.997 45.364 -53.161 1.00 9.33 H new -ATOM 0 3HD2 LEU F 602 -22.490 44.704 -54.752 1.00 9.33 H new -ATOM 4303 N GLU F 603 -27.114 43.443 -56.233 1.00 19.26 -ATOM 4304 CA GLU F 603 -27.982 42.309 -55.957 1.00 17.46 -ATOM 4305 C GLU F 603 -27.830 41.213 -57.003 1.00 21.18 -ATOM 4306 O GLU F 603 -28.091 40.045 -56.724 1.00 31.58 -ATOM 4307 CB GLU F 603 -29.445 42.755 -55.821 1.00 20.36 -ATOM 4308 CG GLU F 603 -30.423 41.629 -55.439 1.00 27.38 -ATOM 4309 CD GLU F 603 -29.986 40.812 -54.214 1.00 31.43 -ATOM 4310 OE1 GLU F 603 -30.150 39.575 -54.235 1.00 50.06 -ATOM 4311 OE2 GLU F 603 -29.481 41.389 -53.231 1.00 39.49 -ATOM 0 H GLU F 603 -27.558 44.241 -56.641 1.00 19.26 H new -ATOM 0 HA GLU F 603 -27.669 41.881 -54.993 1.00 17.46 H new -ATOM 0 1HB GLU F 603 -29.504 43.548 -55.061 1.00 20.36 H new -ATOM 0 2HB GLU F 603 -29.770 43.198 -56.774 1.00 20.36 H new -ATOM 0 1HG GLU F 603 -31.412 42.068 -55.240 1.00 27.38 H new -ATOM 0 2HG GLU F 603 -30.538 40.951 -56.297 1.00 27.38 H new -ATOM 4312 N GLU F 604 -27.417 41.578 -58.208 1.00 17.30 -ATOM 4313 CA GLU F 604 -27.252 40.586 -59.262 1.00 14.06 -ATOM 4314 C GLU F 604 -25.915 39.859 -59.166 1.00 12.50 -ATOM 4315 O GLU F 604 -25.815 38.719 -59.591 1.00 18.54 -ATOM 4316 CB GLU F 604 -27.426 41.213 -60.647 1.00 32.11 -ATOM 4317 CG GLU F 604 -28.876 41.508 -61.015 1.00 24.65 -ATOM 4318 CD GLU F 604 -29.012 42.359 -62.275 1.00 53.62 -ATOM 4319 OE1 GLU F 604 -27.982 42.824 -62.824 1.00 47.55 -ATOM 4320 OE2 GLU F 604 -30.163 42.570 -62.714 1.00 57.87 -ATOM 0 H GLU F 604 -27.198 42.517 -58.473 1.00 17.30 H new -ATOM 0 HA GLU F 604 -28.045 39.837 -59.117 1.00 14.06 H new -ATOM 0 1HB GLU F 604 -26.850 42.149 -60.690 1.00 32.11 H new -ATOM 0 2HB GLU F 604 -26.997 40.537 -61.401 1.00 32.11 H new -ATOM 0 1HG GLU F 604 -29.411 40.558 -61.161 1.00 24.65 H new -ATOM 0 2HG GLU F 604 -29.363 42.026 -60.176 1.00 24.65 H new -ATOM 4321 N HIS F 605 -24.901 40.499 -58.590 1.00 9.98 -ATOM 4322 CA HIS F 605 -23.609 39.840 -58.400 1.00 8.77 -ATOM 4323 C HIS F 605 -23.683 38.700 -57.376 1.00 17.11 -ATOM 4324 O HIS F 605 -24.187 38.886 -56.270 1.00 25.01 -ATOM 4325 CB HIS F 605 -22.562 40.842 -57.962 1.00 8.88 -ATOM 4326 CG HIS F 605 -21.160 40.363 -58.152 1.00 11.30 -ATOM 4327 ND1 HIS F 605 -20.554 39.487 -57.279 1.00 12.23 -ATOM 4328 CD2 HIS F 605 -20.237 40.651 -59.101 1.00 9.47 -ATOM 4329 CE1 HIS F 605 -19.319 39.249 -57.687 1.00 11.25 -ATOM 4330 NE2 HIS F 605 -19.103 39.939 -58.791 1.00 11.38 -ATOM 0 H HIS F 605 -24.944 41.441 -58.257 1.00 9.98 H new -ATOM 0 HA HIS F 605 -23.327 39.406 -59.371 1.00 8.77 H new -ATOM 0 1HB HIS F 605 -22.701 41.776 -58.527 1.00 8.88 H new -ATOM 0 2HB HIS F 605 -22.718 41.082 -56.900 1.00 8.88 H new -ATOM 0 HD2 HIS F 605 -20.370 41.327 -59.958 1.00 9.47 H new -ATOM 0 HE1 HIS F 605 -18.594 38.588 -57.190 1.00 11.25 H new -ATOM 0 HE2 HIS F 605 -18.252 39.943 -59.317 1.00 11.38 H new -ATOM 4331 N PRO F 606 -23.175 37.513 -57.736 1.00 11.67 -ATOM 4332 CA PRO F 606 -23.353 36.335 -56.872 1.00 8.82 -ATOM 4333 C PRO F 606 -22.689 36.478 -55.510 1.00 13.81 -ATOM 4334 O PRO F 606 -23.018 35.725 -54.594 1.00 27.31 -ATOM 4335 CB PRO F 606 -22.684 35.210 -57.671 1.00 9.84 -ATOM 4336 CG PRO F 606 -22.769 35.674 -59.099 1.00 8.11 -ATOM 4337 CD PRO F 606 -22.571 37.157 -59.029 1.00 8.36 -ATOM 0 HA PRO F 606 -24.415 36.163 -56.644 1.00 8.82 H new -ATOM 0 1HB PRO F 606 -21.640 35.060 -57.358 1.00 9.84 H new -ATOM 0 2HB PRO F 606 -23.204 34.251 -57.528 1.00 9.84 H new -ATOM 0 1HG PRO F 606 -21.997 35.197 -59.721 1.00 8.11 H new -ATOM 0 2HG PRO F 606 -23.743 35.421 -59.544 1.00 8.11 H new -ATOM 0 1HD PRO F 606 -21.506 37.428 -59.069 1.00 8.36 H new -ATOM 0 2HD PRO F 606 -23.065 37.673 -59.865 1.00 8.36 H new -ATOM 4338 N LEU F 607 -21.792 37.442 -55.365 1.00 13.07 -ATOM 4339 CA LEU F 607 -21.006 37.568 -54.143 1.00 12.76 -ATOM 4340 C LEU F 607 -21.538 38.649 -53.191 1.00 12.50 -ATOM 4341 O LEU F 607 -20.913 38.972 -52.179 1.00 6.89 -ATOM 4342 CB LEU F 607 -19.536 37.822 -54.506 1.00 11.62 -ATOM 4343 CG LEU F 607 -18.578 36.623 -54.427 1.00 12.19 -ATOM 4344 CD1 LEU F 607 -19.296 35.315 -54.527 1.00 10.00 -ATOM 4345 CD2 LEU F 607 -17.484 36.711 -55.457 1.00 10.92 -ATOM 0 H LEU F 607 -21.593 38.133 -56.060 1.00 13.07 H new -ATOM 0 HA LEU F 607 -21.093 36.620 -53.593 1.00 12.76 H new -ATOM 0 1HB LEU F 607 -19.501 38.220 -55.531 1.00 11.62 H new -ATOM 0 2HB LEU F 607 -19.152 38.610 -53.842 1.00 11.62 H new -ATOM 0 HG LEU F 607 -18.111 36.668 -53.432 1.00 12.19 H new -ATOM 0 1HD1 LEU F 607 -18.569 34.492 -54.466 1.00 10.00 H new -ATOM 0 2HD1 LEU F 607 -20.018 35.229 -53.702 1.00 10.00 H new -ATOM 0 3HD1 LEU F 607 -19.830 35.261 -55.487 1.00 10.00 H new -ATOM 0 1HD2 LEU F 607 -16.823 35.836 -55.366 1.00 10.92 H new -ATOM 0 2HD2 LEU F 607 -17.928 36.732 -56.463 1.00 10.92 H new -ATOM 0 3HD2 LEU F 607 -16.901 37.629 -55.295 1.00 10.92 H new -ATOM 4346 N PHE F 608 -22.705 39.192 -53.510 1.00 7.88 -ATOM 4347 CA PHE F 608 -23.292 40.227 -52.675 1.00 15.58 -ATOM 4348 C PHE F 608 -24.770 39.980 -52.407 1.00 17.55 -ATOM 4349 O PHE F 608 -25.498 39.534 -53.292 1.00 13.70 -ATOM 4350 CB PHE F 608 -23.064 41.624 -53.286 1.00 12.41 -ATOM 4351 CG PHE F 608 -21.621 42.045 -53.281 1.00 14.60 -ATOM 4352 CD1 PHE F 608 -20.835 41.925 -54.429 1.00 14.26 -ATOM 4353 CD2 PHE F 608 -21.037 42.517 -52.120 1.00 6.89 -ATOM 4354 CE1 PHE F 608 -19.503 42.296 -54.415 1.00 10.48 -ATOM 4355 CE2 PHE F 608 -19.713 42.887 -52.101 1.00 9.35 -ATOM 4356 CZ PHE F 608 -18.941 42.776 -53.254 1.00 9.17 -ATOM 0 H PHE F 608 -23.245 38.942 -54.313 1.00 7.88 H new -ATOM 0 HA PHE F 608 -22.779 40.188 -51.703 1.00 15.58 H new -ATOM 0 1HB PHE F 608 -23.437 41.630 -54.321 1.00 12.41 H new -ATOM 0 2HB PHE F 608 -23.657 42.363 -52.726 1.00 12.41 H new -ATOM 0 HD1 PHE F 608 -21.280 41.531 -55.354 1.00 14.26 H new -ATOM 0 HD2 PHE F 608 -21.638 42.597 -51.202 1.00 6.89 H new -ATOM 0 HE1 PHE F 608 -18.895 42.208 -55.328 1.00 10.48 H new -ATOM 0 HE2 PHE F 608 -19.263 43.271 -51.174 1.00 9.35 H new -ATOM 0 HZ PHE F 608 -17.882 43.072 -53.237 1.00 9.17 H new -ATOM 4357 N GLU F 609 -25.192 40.285 -51.179 1.00 15.03 -ATOM 4358 CA GLU F 609 -26.576 40.098 -50.731 1.00 15.19 -ATOM 4359 C GLU F 609 -27.066 41.336 -49.971 1.00 17.67 -ATOM 4360 O GLU F 609 -26.383 41.820 -49.062 1.00 10.93 -ATOM 4361 CB GLU F 609 -26.657 38.872 -49.817 1.00 13.88 -ATOM 4362 CG GLU F 609 -28.067 38.417 -49.507 1.00 22.48 -ATOM 4363 CD GLU F 609 -28.795 37.888 -50.733 1.00 36.12 -ATOM 4364 OE1 GLU F 609 -29.804 38.510 -51.131 1.00 33.55 -ATOM 4365 OE2 GLU F 609 -28.360 36.858 -51.299 1.00 27.43 -ATOM 0 H GLU F 609 -24.592 40.664 -50.475 1.00 15.03 H new -ATOM 0 HA GLU F 609 -27.216 39.947 -51.613 1.00 15.19 H new -ATOM 0 1HB GLU F 609 -26.112 38.041 -50.289 1.00 13.88 H new -ATOM 0 2HB GLU F 609 -26.142 39.099 -48.872 1.00 13.88 H new -ATOM 0 1HG GLU F 609 -28.034 37.631 -48.738 1.00 22.48 H new -ATOM 0 2HG GLU F 609 -28.635 39.258 -49.083 1.00 22.48 H new -ATOM 4366 N ARG F 610 -28.232 41.867 -50.330 1.00 14.20 -ATOM 4367 CA ARG F 610 -28.709 43.027 -49.575 1.00 29.13 -ATOM 4368 C ARG F 610 -29.068 42.723 -48.123 1.00 25.57 -ATOM 4369 O ARG F 610 -29.662 41.693 -47.816 1.00 16.97 -ATOM 4370 CB ARG F 610 -29.868 43.778 -50.232 1.00 19.50 -ATOM 4371 CG ARG F 610 -29.691 45.265 -49.948 1.00 25.69 -ATOM 4372 CD ARG F 610 -30.959 46.046 -49.767 1.00 22.09 -ATOM 4373 NE ARG F 610 -31.593 46.379 -51.031 1.00 31.13 -ATOM 4374 CZ ARG F 610 -32.195 47.534 -51.260 1.00 24.07 -ATOM 4375 NH1 ARG F 610 -32.204 48.461 -50.319 1.00 23.53 -ATOM 4376 NH2 ARG F 610 -32.769 47.761 -52.431 1.00 47.99 -ATOM 0 H ARG F 610 -28.821 41.548 -51.073 1.00 14.20 H new -ATOM 0 HA ARG F 610 -27.829 43.687 -49.583 1.00 29.13 H new -ATOM 0 1HB ARG F 610 -29.880 43.593 -51.316 1.00 19.50 H new -ATOM 0 2HB ARG F 610 -30.830 43.423 -49.834 1.00 19.50 H new -ATOM 0 1HG ARG F 610 -29.080 45.376 -49.040 1.00 25.69 H new -ATOM 0 2HG ARG F 610 -29.121 45.713 -50.776 1.00 25.69 H new -ATOM 0 1HD ARG F 610 -31.660 45.463 -49.151 1.00 22.09 H new -ATOM 0 2HD ARG F 610 -30.740 46.972 -49.215 1.00 22.09 H new -ATOM 0 HE ARG F 610 -31.573 45.700 -51.765 1.00 31.13 H + new -ATOM 0 1HH1 ARG F 610 -31.758 48.287 -49.441 1.00 23.53 H + new -ATOM 0 2HH1 ARG F 610 -32.657 49.337 -50.484 1.00 23.53 H + new -ATOM 0 1HH2 ARG F 610 -32.748 47.059 -53.143 1.00 47.99 H + new -ATOM 0 2HH2 ARG F 610 -33.224 48.634 -52.604 1.00 47.99 H + new -ATOM 4377 N LEU F 611 -28.684 43.642 -47.244 1.00 18.66 -ATOM 4378 CA LEU F 611 -29.061 43.583 -45.844 1.00 20.77 -ATOM 4379 C LEU F 611 -30.412 44.259 -45.682 1.00 20.20 -ATOM 4380 O LEU F 611 -30.737 45.185 -46.424 1.00 15.83 -ATOM 4381 CB LEU F 611 -28.012 44.287 -44.994 1.00 14.68 -ATOM 4382 CG LEU F 611 -26.707 43.504 -44.955 1.00 12.83 -ATOM 4383 CD1 LEU F 611 -25.527 44.442 -44.754 1.00 9.12 -ATOM 4384 CD2 LEU F 611 -26.782 42.445 -43.857 1.00 14.81 -ATOM 0 H LEU F 611 -28.115 44.430 -47.480 1.00 18.66 H new -ATOM 0 HA LEU F 611 -29.127 42.536 -45.513 1.00 20.77 H new -ATOM 0 1HB LEU F 611 -27.826 45.293 -45.398 1.00 14.68 H new -ATOM 0 2HB LEU F 611 -28.394 44.417 -43.971 1.00 14.68 H new -ATOM 0 HG LEU F 611 -26.555 42.994 -45.917 1.00 12.83 H new -ATOM 0 1HD1 LEU F 611 -24.595 43.859 -44.728 1.00 9.12 H new -ATOM 0 2HD1 LEU F 611 -25.485 45.163 -45.584 1.00 9.12 H new -ATOM 0 3HD1 LEU F 611 -25.646 44.984 -43.804 1.00 9.12 H new -ATOM 0 1HD2 LEU F 611 -25.839 41.879 -43.828 1.00 14.81 H new -ATOM 0 2HD2 LEU F 611 -26.945 42.934 -42.885 1.00 14.81 H new -ATOM 0 3HD2 LEU F 611 -27.616 41.758 -44.066 1.00 14.81 H new -ATOM 4385 N SER F 612 -31.183 43.796 -44.705 1.00 14.67 -ATOM 4386 CA SER F 612 -32.561 44.231 -44.516 1.00 19.54 -ATOM 4387 C SER F 612 -32.637 45.622 -43.911 1.00 18.08 -ATOM 4388 O SER F 612 -31.659 46.127 -43.345 1.00 17.71 -ATOM 4389 CB SER F 612 -33.313 43.245 -43.604 1.00 15.88 -ATOM 4390 OG SER F 612 -32.937 43.441 -42.254 1.00 16.19 -ATOM 0 H SER F 612 -30.876 43.121 -44.034 1.00 14.67 H new -ATOM 0 HA SER F 612 -33.031 44.258 -45.510 1.00 19.54 H new -ATOM 0 1HB SER F 612 -33.091 42.211 -43.908 1.00 15.88 H new -ATOM 0 2HB SER F 612 -34.398 43.387 -43.714 1.00 15.88 H new -ATOM 0 HG SER F 612 -33.304 42.698 -41.694 1.00 16.19 H new -ATOM 4391 N LYS F 613 -33.811 46.236 -44.016 1.00 20.99 -ATOM 4392 CA LYS F 613 -34.039 47.524 -43.358 1.00 24.61 -ATOM 4393 C LYS F 613 -33.874 47.421 -41.852 1.00 30.18 -ATOM 4394 O LYS F 613 -33.391 48.352 -41.214 1.00 32.19 -ATOM 4395 CB LYS F 613 -35.409 48.103 -43.710 1.00 22.46 -ATOM 4396 CG LYS F 613 -35.352 49.208 -44.778 1.00 34.37 -ATOM 4397 CD LYS F 613 -35.681 48.689 -46.170 1.00 27.87 -ATOM 4398 CE LYS F 613 -35.667 49.802 -47.224 1.00 29.89 -ATOM 4399 NZ LYS F 613 -34.294 50.251 -47.619 1.00 56.44 -ATOM 0 H LYS F 613 -34.592 45.881 -44.529 1.00 20.99 H new -ATOM 0 HA LYS F 613 -33.271 48.215 -43.737 1.00 24.61 H new -ATOM 0 1HB LYS F 613 -36.060 47.292 -44.068 1.00 22.46 H new -ATOM 0 2HB LYS F 613 -35.872 48.509 -42.798 1.00 22.46 H new -ATOM 0 1HG LYS F 613 -36.059 50.008 -44.512 1.00 34.37 H new -ATOM 0 2HG LYS F 613 -34.347 49.656 -44.785 1.00 34.37 H new -ATOM 0 1HD LYS F 613 -34.954 47.912 -46.451 1.00 27.87 H new -ATOM 0 2HD LYS F 613 -36.672 48.212 -46.156 1.00 27.87 H new -ATOM 0 1HE LYS F 613 -36.198 49.450 -48.121 1.00 29.89 H new -ATOM 0 2HE LYS F 613 -36.227 50.666 -46.837 1.00 29.89 H new -ATOM 0 1HZ LYS F 613 -34.364 50.974 -48.306 1.00 56.44 H + new -ATOM 0 2HZ LYS F 613 -33.813 50.601 -46.815 1.00 56.44 H + new -ATOM 0 3HZ LYS F 613 -33.787 49.478 -48.000 1.00 56.44 H + new -ATOM 4400 N GLU F 614 -34.270 46.279 -41.292 1.00 31.88 -ATOM 4401 CA GLU F 614 -34.101 46.019 -39.865 1.00 31.32 -ATOM 4402 C GLU F 614 -32.614 46.051 -39.512 1.00 36.70 -ATOM 4403 O GLU F 614 -32.217 46.664 -38.517 1.00 29.26 -ATOM 4404 CB GLU F 614 -34.738 44.674 -39.490 1.00 36.83 -ATOM 4405 CG GLU F 614 -34.471 44.201 -38.058 1.00 77.22 -ATOM 4406 CD GLU F 614 -34.891 42.750 -37.816 1.00 77.77 -ATOM 4407 OE1 GLU F 614 -35.405 42.103 -38.757 1.00 80.74 -ATOM 4408 OE2 GLU F 614 -34.703 42.260 -36.680 1.00 44.07 -ATOM 0 H GLU F 614 -34.703 45.532 -41.797 1.00 31.88 H new -ATOM 0 HA GLU F 614 -34.612 46.802 -39.285 1.00 31.32 H new -ATOM 0 1HB GLU F 614 -35.826 44.748 -39.637 1.00 36.83 H new -ATOM 0 2HB GLU F 614 -34.371 43.906 -40.187 1.00 36.83 H new -ATOM 0 1HG GLU F 614 -33.399 44.307 -37.837 1.00 77.22 H new -ATOM 0 2HG GLU F 614 -35.010 44.854 -37.356 1.00 77.22 H new -ATOM 4409 N TRP F 615 -31.796 45.411 -40.348 1.00 25.74 -ATOM 4410 CA TRP F 615 -30.357 45.429 -40.157 1.00 15.21 -ATOM 4411 C TRP F 615 -29.837 46.873 -40.159 1.00 18.11 -ATOM 4412 O TRP F 615 -29.062 47.259 -39.280 1.00 19.67 -ATOM 4413 CB TRP F 615 -29.644 44.559 -41.222 1.00 20.52 -ATOM 4414 CG TRP F 615 -28.163 44.416 -40.974 1.00 10.43 -ATOM 4415 CD1 TRP F 615 -27.531 43.387 -40.333 1.00 11.48 -ATOM 4416 CD2 TRP F 615 -27.141 45.354 -41.330 1.00 8.72 -ATOM 4417 NE1 TRP F 615 -26.176 43.621 -40.280 1.00 14.72 -ATOM 4418 CE2 TRP F 615 -25.912 44.825 -40.883 1.00 17.61 -ATOM 4419 CE3 TRP F 615 -27.141 46.578 -42.005 1.00 7.08 -ATOM 4420 CZ2 TRP F 615 -24.695 45.486 -41.082 1.00 10.78 -ATOM 4421 CZ3 TRP F 615 -25.934 47.232 -42.205 1.00 9.09 -ATOM 4422 CH2 TRP F 615 -24.726 46.686 -41.744 1.00 10.83 -ATOM 0 H TRP F 615 -32.103 44.888 -41.143 1.00 25.74 H new -ATOM 0 HA TRP F 615 -30.127 44.990 -39.175 1.00 15.21 H new -ATOM 0 1HB TRP F 615 -30.105 43.560 -41.239 1.00 20.52 H new -ATOM 0 2HB TRP F 615 -29.802 45.004 -42.216 1.00 20.52 H new -ATOM 0 HD1 TRP F 615 -28.033 42.500 -39.919 1.00 11.48 H new -ATOM 0 HE1 TRP F 615 -25.496 43.014 -39.870 1.00 14.72 H new -ATOM 0 HE3 TRP F 615 -28.082 47.015 -42.371 1.00 7.08 H new -ATOM 0 HZ2 TRP F 615 -23.748 45.058 -40.721 1.00 10.78 H new -ATOM 0 HZ3 TRP F 615 -25.924 48.196 -42.735 1.00 9.09 H new -ATOM 0 HH2 TRP F 615 -23.786 47.231 -41.917 1.00 10.83 H new -ATOM 4423 N GLU F 616 -30.265 47.673 -41.136 1.00 17.57 -ATOM 4424 CA GLU F 616 -29.801 49.071 -41.255 1.00 16.62 -ATOM 4425 C GLU F 616 -30.136 49.953 -40.056 1.00 21.58 -ATOM 4426 O GLU F 616 -29.335 50.792 -39.642 1.00 23.32 -ATOM 4427 CB GLU F 616 -30.402 49.758 -42.483 1.00 20.80 -ATOM 4428 CG GLU F 616 -30.081 49.164 -43.839 1.00 8.55 -ATOM 4429 CD GLU F 616 -30.914 49.816 -44.918 1.00 23.87 -ATOM 4430 OE1 GLU F 616 -31.585 50.815 -44.602 1.00 33.70 -ATOM 4431 OE2 GLU F 616 -30.917 49.353 -46.072 1.00 23.72 -ATOM 0 H GLU F 616 -30.915 47.392 -41.842 1.00 17.57 H new -ATOM 0 HA GLU F 616 -28.708 48.975 -41.330 1.00 16.62 H new -ATOM 0 1HB GLU F 616 -31.496 49.768 -42.366 1.00 20.80 H new -ATOM 0 2HB GLU F 616 -30.069 50.806 -42.483 1.00 20.80 H new -ATOM 0 1HG GLU F 616 -29.012 49.300 -44.061 1.00 8.55 H new -ATOM 0 2HG GLU F 616 -30.272 48.081 -43.825 1.00 8.55 H new -ATOM 4432 N GLU F 617 -31.342 49.785 -39.525 1.00 25.70 -ATOM 4433 CA GLU F 617 -31.790 50.548 -38.368 1.00 27.86 -ATOM 4434 C GLU F 617 -30.963 50.272 -37.124 1.00 18.99 -ATOM 4435 O GLU F 617 -30.911 51.093 -36.221 1.00 33.36 -ATOM 4436 CB GLU F 617 -33.262 50.267 -38.081 1.00 30.38 -ATOM 4437 CG GLU F 617 -34.214 50.855 -39.103 1.00 46.02 -ATOM 4438 CD GLU F 617 -35.587 50.214 -39.047 1.00 61.89 -ATOM 4439 OE1 GLU F 617 -35.877 49.518 -38.047 1.00 71.74 -ATOM 4440 OE2 GLU F 617 -36.373 50.400 -40.002 1.00 62.15 -ATOM 0 H GLU F 617 -32.017 49.135 -39.874 1.00 25.70 H new -ATOM 0 HA GLU F 617 -31.655 51.610 -38.622 1.00 27.86 H new -ATOM 0 1HB GLU F 617 -33.415 49.179 -38.037 1.00 30.38 H new -ATOM 0 2HB GLU F 617 -33.514 50.668 -37.088 1.00 30.38 H new -ATOM 0 1HG GLU F 617 -34.310 51.937 -38.931 1.00 46.02 H new -ATOM 0 2HG GLU F 617 -33.792 50.725 -40.111 1.00 46.02 H new -ATOM 4441 N ASN F 618 -30.310 49.123 -37.076 1.00 17.86 -ATOM 4442 CA ASN F 618 -29.503 48.775 -35.920 1.00 13.36 -ATOM 4443 C ASN F 618 -28.038 49.093 -36.095 1.00 22.43 -ATOM 4444 O ASN F 618 -27.242 48.942 -35.169 1.00 27.68 -ATOM 4445 CB ASN F 618 -29.689 47.298 -35.575 1.00 25.97 -ATOM 4446 CG ASN F 618 -30.953 47.058 -34.765 1.00 40.91 -ATOM 4447 OD1 ASN F 618 -31.450 47.972 -34.101 1.00 30.15 -ATOM 4448 ND2 ASN F 618 -31.477 45.838 -34.812 1.00 25.12 -ATOM 0 H ASN F 618 -30.322 48.435 -37.802 1.00 17.86 H new -ATOM 0 HA ASN F 618 -29.858 49.401 -35.088 1.00 13.36 H new -ATOM 0 1HB ASN F 618 -29.731 46.708 -36.502 1.00 25.97 H new -ATOM 0 2HB ASN F 618 -28.817 46.942 -35.007 1.00 25.97 H new -ATOM 0 1HD2 ASN F 618 -32.308 45.630 -34.296 1.00 25.12 H new -ATOM 0 2HD2 ASN F 618 -31.041 45.127 -35.364 1.00 25.12 H new -ATOM 4449 N ASP F 619 -27.676 49.537 -37.290 1.00 24.18 -ATOM 4450 CA ASP F 619 -26.271 49.669 -37.610 1.00 21.53 -ATOM 4451 C ASP F 619 -25.763 51.102 -37.471 1.00 20.83 -ATOM 4452 O ASP F 619 -26.333 52.034 -38.034 1.00 25.58 -ATOM 4453 CB ASP F 619 -25.975 49.116 -39.012 1.00 23.09 -ATOM 4454 CG ASP F 619 -24.524 49.251 -39.376 1.00 20.81 -ATOM 4455 OD1 ASP F 619 -24.204 50.163 -40.157 1.00 30.39 -ATOM 4456 OD2 ASP F 619 -23.697 48.479 -38.847 1.00 25.82 -ATOM 0 H ASP F 619 -28.308 49.799 -38.019 1.00 24.18 H new -ATOM 0 HA ASP F 619 -25.722 49.068 -36.870 1.00 21.53 H new -ATOM 0 1HB ASP F 619 -26.266 48.056 -39.056 1.00 23.09 H new -ATOM 0 2HB ASP F 619 -26.589 49.649 -39.753 1.00 23.09 H new -ATOM 4457 N GLU F 620 -24.674 51.254 -36.725 1.00 18.68 -ATOM 4458 CA GLU F 620 -24.055 52.548 -36.469 1.00 19.57 -ATOM 4459 C GLU F 620 -23.539 53.207 -37.740 1.00 28.92 -ATOM 4460 O GLU F 620 -23.643 54.424 -37.917 1.00 28.32 -ATOM 4461 CB GLU F 620 -22.897 52.374 -35.487 1.00 31.45 -ATOM 4462 CG GLU F 620 -22.128 53.646 -35.201 1.00 33.68 -ATOM 4463 CD GLU F 620 -22.946 54.644 -34.404 1.00 63.86 -ATOM 4464 OE1 GLU F 620 -24.141 54.362 -34.145 1.00 60.82 -ATOM 4465 OE2 GLU F 620 -22.392 55.707 -34.035 1.00 64.21 -ATOM 0 H GLU F 620 -24.202 50.490 -36.286 1.00 18.68 H new -ATOM 0 HA GLU F 620 -24.830 53.204 -36.044 1.00 19.57 H new -ATOM 0 1HB GLU F 620 -23.291 51.977 -34.540 1.00 31.45 H new -ATOM 0 2HB GLU F 620 -22.202 51.621 -35.887 1.00 31.45 H new -ATOM 0 1HG GLU F 620 -21.210 53.401 -34.646 1.00 33.68 H new -ATOM 0 2HG GLU F 620 -21.817 54.105 -36.151 1.00 33.68 H new -ATOM 4466 N CYS F 621 -22.963 52.403 -38.623 1.00 21.65 -ATOM 4467 CA CYS F 621 -22.411 52.941 -39.856 1.00 22.89 -ATOM 4468 C CYS F 621 -23.493 53.581 -40.696 1.00 17.28 -ATOM 4469 O CYS F 621 -23.256 54.601 -41.343 1.00 13.81 -ATOM 4470 CB CYS F 621 -21.668 51.860 -40.652 1.00 18.88 -ATOM 4471 SG CYS F 621 -20.112 51.427 -39.898 1.00 26.71 -ATOM 0 H CYS F 621 -22.869 51.413 -38.514 1.00 21.65 H new -ATOM 0 HA CYS F 621 -21.681 53.719 -39.586 1.00 22.89 H new -ATOM 0 1HB CYS F 621 -22.300 50.963 -40.729 1.00 18.88 H new -ATOM 0 2HB CYS F 621 -21.491 52.217 -41.677 1.00 18.88 H new -ATOM 0 HG CYS F 621 -19.901 52.192 -38.868 1.00 26.71 H new -ATOM 4472 N VAL F 622 -24.687 52.999 -40.676 1.00 19.27 -ATOM 4473 CA VAL F 622 -25.793 53.598 -41.418 1.00 25.19 -ATOM 4474 C VAL F 622 -26.189 54.948 -40.826 1.00 33.16 -ATOM 4475 O VAL F 622 -26.426 55.890 -41.580 1.00 31.40 -ATOM 4476 CB VAL F 622 -27.004 52.673 -41.521 1.00 24.21 -ATOM 4477 CG1 VAL F 622 -28.223 53.452 -41.970 1.00 18.93 -ATOM 4478 CG2 VAL F 622 -26.711 51.537 -42.497 1.00 12.98 -ATOM 0 H VAL F 622 -24.907 52.158 -40.182 1.00 19.27 H new -ATOM 0 HA VAL F 622 -25.428 53.760 -42.443 1.00 25.19 H new -ATOM 0 HB VAL F 622 -27.210 52.244 -40.529 1.00 24.21 H new -ATOM 0 1HG1 VAL F 622 -29.087 52.774 -42.040 1.00 18.93 H new -ATOM 0 2HG1 VAL F 622 -28.439 54.247 -41.241 1.00 18.93 H new -ATOM 0 3HG1 VAL F 622 -28.029 53.901 -42.955 1.00 18.93 H new -ATOM 0 1HG2 VAL F 622 -27.588 50.876 -42.565 1.00 12.98 H new -ATOM 0 2HG2 VAL F 622 -26.489 51.954 -43.490 1.00 12.98 H new -ATOM 0 3HG2 VAL F 622 -25.845 50.961 -42.140 1.00 12.98 H new -ATOM 4479 N LYS F 623 -26.228 55.049 -39.493 1.00 24.98 -ATOM 4480 CA LYS F 623 -26.513 56.328 -38.831 1.00 26.98 -ATOM 4481 C LYS F 623 -25.497 57.387 -39.241 1.00 25.70 -ATOM 4482 O LYS F 623 -25.867 58.467 -39.703 1.00 26.58 -ATOM 4483 CB LYS F 623 -26.526 56.215 -37.299 1.00 27.04 -ATOM 4484 CG LYS F 623 -27.823 55.683 -36.707 1.00 52.67 -ATOM 4485 CD LYS F 623 -27.693 54.220 -36.283 1.00 61.60 -ATOM 4486 CE LYS F 623 -28.945 53.417 -36.634 1.00 62.85 -ATOM 4487 NZ LYS F 623 -29.102 53.224 -38.124 1.00 26.36 -ATOM 0 H LYS F 623 -26.071 54.284 -38.868 1.00 24.98 H new -ATOM 0 HA LYS F 623 -27.521 56.623 -39.159 1.00 26.98 H new -ATOM 0 1HB LYS F 623 -25.701 55.557 -36.987 1.00 27.04 H new -ATOM 0 2HB LYS F 623 -26.325 57.208 -36.871 1.00 27.04 H new -ATOM 0 1HG LYS F 623 -28.107 56.294 -35.837 1.00 52.67 H new -ATOM 0 2HG LYS F 623 -28.631 55.781 -37.447 1.00 52.67 H new -ATOM 0 1HD LYS F 623 -26.818 53.771 -36.776 1.00 61.60 H new -ATOM 0 2HD LYS F 623 -27.514 54.166 -35.199 1.00 61.60 H new -ATOM 0 1HE LYS F 623 -28.898 52.434 -36.142 1.00 62.85 H new -ATOM 0 2HE LYS F 623 -29.832 53.933 -36.238 1.00 62.85 H new -ATOM 0 1HZ LYS F 623 -29.941 53.673 -38.432 1.00 26.36 H + new -ATOM 0 2HZ LYS F 623 -28.317 53.625 -38.597 1.00 26.36 H + new -ATOM 0 3HZ LYS F 623 -29.152 52.247 -38.331 1.00 26.36 H + new -ATOM 4488 N ILE F 624 -24.217 57.076 -39.053 1.00 21.65 -ATOM 4489 CA ILE F 624 -23.137 57.985 -39.426 1.00 20.16 -ATOM 4490 C ILE F 624 -23.227 58.392 -40.902 1.00 28.36 -ATOM 4491 O ILE F 624 -22.964 59.539 -41.257 1.00 31.81 -ATOM 4492 CB ILE F 624 -21.760 57.359 -39.121 1.00 25.10 -ATOM 4493 CG1 ILE F 624 -21.651 57.040 -37.626 1.00 18.52 -ATOM 4494 CG2 ILE F 624 -20.607 58.243 -39.625 1.00 17.60 -ATOM 4495 CD1 ILE F 624 -20.266 56.570 -37.182 1.00 15.17 -ATOM 0 H ILE F 624 -23.908 56.214 -38.651 1.00 21.65 H new -ATOM 0 HA ILE F 624 -23.249 58.895 -38.818 1.00 20.16 H new -ATOM 0 HB ILE F 624 -21.672 56.412 -39.673 1.00 25.10 H new -ATOM 0 1HG1 ILE F 624 -21.922 57.938 -37.051 1.00 18.52 H new -ATOM 0 2HG1 ILE F 624 -22.387 56.262 -37.375 1.00 18.52 H new -ATOM 0 1HG2 ILE F 624 -19.646 57.763 -39.389 1.00 17.60 H new -ATOM 0 2HG2 ILE F 624 -20.693 58.374 -40.714 1.00 17.60 H new -ATOM 0 3HG2 ILE F 624 -20.656 59.226 -39.133 1.00 17.60 H new -ATOM 0 1HD1 ILE F 624 -20.277 56.364 -36.101 1.00 15.17 H new -ATOM 0 2HD1 ILE F 624 -19.997 55.653 -37.727 1.00 15.17 H new -ATOM 0 3HD1 ILE F 624 -19.525 57.354 -37.398 1.00 15.17 H new -ATOM 4496 N MET F 625 -23.620 57.456 -41.756 1.00 24.91 -ATOM 4497 CA MET F 625 -23.826 57.768 -43.164 1.00 35.46 -ATOM 4498 C MET F 625 -24.947 58.771 -43.335 1.00 33.19 -ATOM 4499 O MET F 625 -24.791 59.778 -44.024 1.00 46.05 -ATOM 4500 CB MET F 625 -24.179 56.516 -43.963 1.00 36.76 -ATOM 4501 CG MET F 625 -23.102 56.016 -44.907 1.00 31.97 -ATOM 4502 SD MET F 625 -23.662 54.513 -45.746 1.00 37.62 -ATOM 4503 CE MET F 625 -22.699 54.655 -47.224 1.00 27.61 -ATOM 0 H MET F 625 -23.797 56.504 -41.507 1.00 24.91 H new -ATOM 0 HA MET F 625 -22.882 58.191 -43.539 1.00 35.46 H new -ATOM 0 1HB MET F 625 -24.425 55.710 -43.257 1.00 36.76 H new -ATOM 0 2HB MET F 625 -25.088 56.720 -44.548 1.00 36.76 H new -ATOM 0 1HG MET F 625 -22.863 56.793 -45.648 1.00 31.97 H new -ATOM 0 2HG MET F 625 -22.178 55.811 -44.347 1.00 31.97 H new -ATOM 0 1HE MET F 625 -23.365 54.634 -48.099 1.00 27.61 H new -ATOM 0 2HE MET F 625 -22.142 55.604 -47.210 1.00 27.61 H new -ATOM 0 3HE MET F 625 -21.991 53.815 -47.283 1.00 27.61 H new -ATOM 4504 N ARG F 626 -26.090 58.476 -42.730 1.00 32.59 -ATOM 4505 CA ARG F 626 -27.266 59.323 -42.886 1.00 37.43 -ATOM 4506 C ARG F 626 -27.031 60.724 -42.316 1.00 38.96 -ATOM 4507 O ARG F 626 -27.729 61.667 -42.681 1.00 48.11 -ATOM 4508 CB ARG F 626 -28.504 58.664 -42.260 1.00 26.92 -ATOM 4509 CG ARG F 626 -28.988 57.427 -43.010 1.00 35.04 -ATOM 4510 CD ARG F 626 -30.222 56.812 -42.371 1.00 15.71 -ATOM 4511 NE ARG F 626 -31.235 56.499 -43.373 1.00 22.20 -ATOM 4512 CZ ARG F 626 -31.697 55.277 -43.642 1.00 46.94 -ATOM 4513 NH1 ARG F 626 -31.268 54.211 -42.971 1.00 37.95 -ATOM 4514 NH2 ARG F 626 -32.611 55.123 -44.588 1.00 49.32 -ATOM 0 H ARG F 626 -26.225 57.678 -42.142 1.00 32.59 H new -ATOM 0 HA ARG F 626 -27.453 59.438 -43.964 1.00 37.43 H new -ATOM 0 1HB ARG F 626 -28.273 58.385 -41.221 1.00 26.92 H new -ATOM 0 2HB ARG F 626 -29.320 59.401 -42.221 1.00 26.92 H new -ATOM 0 1HG ARG F 626 -29.214 57.698 -44.052 1.00 35.04 H new -ATOM 0 2HG ARG F 626 -28.182 56.679 -43.039 1.00 35.04 H new -ATOM 0 1HD ARG F 626 -29.941 55.896 -41.831 1.00 15.71 H new -ATOM 0 2HD ARG F 626 -30.639 57.508 -41.628 1.00 15.71 H new -ATOM 0 HE ARG F 626 -31.613 57.261 -43.900 1.00 22.20 H + new -ATOM 0 1HH1 ARG F 626 -30.585 54.317 -42.248 1.00 37.95 H + new -ATOM 0 2HH1 ARG F 626 -31.628 53.304 -43.190 1.00 37.95 H + new -ATOM 0 1HH2 ARG F 626 -32.948 55.918 -45.092 1.00 49.32 H + new -ATOM 0 2HH2 ARG F 626 -32.964 54.211 -44.798 1.00 49.32 H + new -ATOM 4515 N ASN F 627 -26.032 60.863 -41.446 1.00 38.31 -ATOM 4516 CA ASN F 627 -25.744 62.150 -40.809 1.00 35.28 -ATOM 4517 C ASN F 627 -24.473 62.854 -41.271 1.00 46.87 -ATOM 4518 O ASN F 627 -23.946 63.707 -40.558 1.00 56.38 -ATOM 4519 CB ASN F 627 -25.716 62.008 -39.285 1.00 32.19 -ATOM 4520 CG ASN F 627 -27.104 61.844 -38.692 1.00 61.29 -ATOM 4521 OD1 ASN F 627 -28.131 61.992 -39.530 1.00 86.29 flip -ATOM 4522 ND2 ASN F 627 -27.253 61.587 -37.496 1.00 56.18 flip -ATOM 0 H ASN F 627 -25.422 60.120 -41.171 1.00 38.31 H new -ATOM 0 HA ASN F 627 -26.573 62.795 -41.135 1.00 35.28 H new -ATOM 0 1HB ASN F 627 -25.099 61.139 -39.012 1.00 32.19 H new -ATOM 0 2HB ASN F 627 -25.235 62.895 -38.846 1.00 32.19 H new -ATOM 0 1HD2 ASN F 627 -28.173 61.481 -37.118 1.00 56.18 H new -ATOM 0 2HD2 ASN F 627 -26.454 61.484 -36.903 1.00 56.18 H new -ATOM 4523 N ALA F 628 -23.984 62.511 -42.457 1.00 47.48 -ATOM 4524 CA ALA F 628 -22.799 63.175 -42.997 1.00 59.62 -ATOM 4525 C ALA F 628 -23.189 64.209 -44.050 1.00 66.15 -ATOM 4526 O ALA F 628 -23.946 63.904 -44.973 1.00 62.17 -ATOM 4527 CB ALA F 628 -21.822 62.151 -43.572 1.00 45.74 -ATOM 0 H ALA F 628 -24.373 61.802 -43.045 1.00 47.48 H new -ATOM 0 HA ALA F 628 -22.295 63.703 -42.174 1.00 59.62 H new -ATOM 0 1HB ALA F 628 -20.939 62.671 -43.972 1.00 45.74 H new -ATOM 0 2HB ALA F 628 -21.510 61.456 -42.779 1.00 45.74 H new -ATOM 0 3HB ALA F 628 -22.313 61.588 -44.380 1.00 45.74 H new -ATOM 4528 N THR F 629 -22.672 65.428 -43.892 1.00 71.55 -ATOM 4529 CA THR F 629 -22.948 66.553 -44.793 1.00 68.59 -ATOM 4530 C THR F 629 -23.242 66.118 -46.229 1.00 77.90 -ATOM 4531 O THR F 629 -22.356 66.081 -47.087 1.00 82.14 -ATOM 4532 CB THR F 629 -21.785 67.543 -44.784 1.00 84.46 -ATOM 4533 OG1 THR F 629 -21.456 67.861 -43.423 1.00 69.53 -ATOM 4534 CG2 THR F 629 -22.160 68.810 -45.543 1.00 75.92 -ATOM 0 H THR F 629 -22.054 65.662 -43.141 1.00 71.55 H new -ATOM 0 HA THR F 629 -23.858 67.037 -44.409 1.00 68.59 H new -ATOM 0 HB THR F 629 -20.914 67.090 -45.281 1.00 84.46 H new -ATOM 0 HG1 THR F 629 -20.694 68.508 -43.406 1.00 69.53 H new -ATOM 0 1HG2 THR F 629 -21.313 69.512 -45.527 1.00 75.92 H new -ATOM 0 2HG2 THR F 629 -22.405 68.555 -46.585 1.00 75.92 H new -ATOM 0 3HG2 THR F 629 -23.033 69.279 -45.066 1.00 75.92 H new -ATOM 4535 N ASP F 641 -33.262 63.684 -48.167 1.00 50.57 -ATOM 4536 CA ASP F 641 -33.609 62.865 -49.322 1.00 75.80 -ATOM 4537 C ASP F 641 -32.470 61.856 -49.512 1.00 63.24 -ATOM 4538 O ASP F 641 -31.588 62.057 -50.338 1.00 43.56 -ATOM 4539 CB ASP F 641 -33.786 63.721 -50.575 1.00 71.76 -ATOM 4540 CG ASP F 641 -34.436 62.954 -51.710 1.00 81.06 -ATOM 4541 OD1 ASP F 641 -34.088 63.202 -52.889 1.00 64.58 -ATOM 4542 OD2 ASP F 641 -35.295 62.093 -51.416 1.00 78.79 -ATOM 0 HA ASP F 641 -34.567 62.351 -49.154 1.00 75.80 H new -ATOM 0 1HB ASP F 641 -34.400 64.601 -50.331 1.00 71.76 H new -ATOM 0 2HB ASP F 641 -32.805 64.094 -50.903 1.00 71.76 H new -ATOM 4543 N LYS F 642 -32.481 60.779 -48.731 1.00 51.95 -ATOM 4544 CA LYS F 642 -31.316 59.905 -48.640 1.00 47.64 -ATOM 4545 C LYS F 642 -31.641 58.416 -48.821 1.00 38.38 -ATOM 4546 O LYS F 642 -32.187 57.777 -47.927 1.00 51.85 -ATOM 4547 CB LYS F 642 -30.613 60.126 -47.300 1.00 37.84 -ATOM 4548 CG LYS F 642 -29.868 61.442 -47.191 1.00 35.93 -ATOM 4549 CD LYS F 642 -29.725 61.852 -45.729 1.00 43.64 -ATOM 4550 CE LYS F 642 -28.705 62.962 -45.552 1.00 34.16 -ATOM 4551 NZ LYS F 642 -27.317 62.438 -45.736 1.00 49.04 -ATOM 0 H LYS F 642 -33.259 60.499 -48.169 1.00 51.95 H new -ATOM 0 HA LYS F 642 -30.655 60.177 -49.476 1.00 47.64 H new -ATOM 0 1HB LYS F 642 -31.361 60.075 -46.495 1.00 37.84 H new -ATOM 0 2HB LYS F 642 -29.903 59.302 -47.132 1.00 37.84 H new -ATOM 0 1HG LYS F 642 -28.873 61.347 -47.651 1.00 35.93 H new -ATOM 0 2HG LYS F 642 -30.407 62.223 -47.747 1.00 35.93 H new -ATOM 0 1HD LYS F 642 -30.700 62.185 -45.344 1.00 43.64 H new -ATOM 0 2HD LYS F 642 -29.425 60.979 -45.131 1.00 43.64 H new -ATOM 0 1HE LYS F 642 -28.899 63.765 -46.279 1.00 34.16 H new -ATOM 0 2HE LYS F 642 -28.806 63.404 -44.550 1.00 34.16 H new -ATOM 0 1HZ LYS F 642 -26.821 62.496 -44.870 1.00 49.04 H + new -ATOM 0 2HZ LYS F 642 -27.357 61.484 -46.034 1.00 49.04 H + new -ATOM 0 3HZ LYS F 642 -26.843 62.983 -46.428 1.00 49.04 H + new -ATOM 4552 N PHE F 643 -31.295 57.867 -49.977 1.00 30.79 -ATOM 4553 CA PHE F 643 -31.517 56.450 -50.239 1.00 32.61 -ATOM 4554 C PHE F 643 -30.312 55.607 -49.834 1.00 32.13 -ATOM 4555 O PHE F 643 -29.183 55.857 -50.252 1.00 24.23 -ATOM 4556 CB PHE F 643 -31.839 56.204 -51.713 1.00 27.40 -ATOM 4557 CG PHE F 643 -32.837 57.165 -52.281 1.00 36.45 -ATOM 4558 CD1 PHE F 643 -32.421 58.238 -53.054 1.00 42.72 -ATOM 4559 CD2 PHE F 643 -34.194 57.003 -52.041 1.00 41.12 -ATOM 4560 CE1 PHE F 643 -33.344 59.130 -53.586 1.00 52.02 -ATOM 4561 CE2 PHE F 643 -35.121 57.892 -52.566 1.00 46.38 -ATOM 4562 CZ PHE F 643 -34.696 58.956 -53.339 1.00 48.56 -ATOM 0 H PHE F 643 -30.870 58.368 -50.731 1.00 30.79 H new -ATOM 0 HA PHE F 643 -32.379 56.146 -49.627 1.00 32.61 H new -ATOM 0 1HB PHE F 643 -30.909 56.267 -52.297 1.00 27.40 H new -ATOM 0 2HB PHE F 643 -32.223 55.180 -51.829 1.00 27.40 H new -ATOM 0 HD1 PHE F 643 -31.348 58.385 -53.248 1.00 42.72 H new -ATOM 0 HD2 PHE F 643 -34.539 56.159 -51.426 1.00 41.12 H new -ATOM 0 HE1 PHE F 643 -33.001 59.974 -54.203 1.00 52.02 H new -ATOM 0 HE2 PHE F 643 -36.194 57.750 -52.367 1.00 46.38 H new -ATOM 0 HZ PHE F 643 -35.429 59.662 -53.757 1.00 48.56 H new -ATOM 4563 N VAL F 644 -30.571 54.590 -49.027 1.00 37.32 -ATOM 4564 CA VAL F 644 -29.513 53.763 -48.486 1.00 29.44 -ATOM 4565 C VAL F 644 -29.667 52.317 -48.937 1.00 24.97 -ATOM 4566 O VAL F 644 -30.779 51.806 -49.058 1.00 21.15 -ATOM 4567 CB VAL F 644 -29.518 53.832 -46.942 1.00 37.20 -ATOM 4568 CG1 VAL F 644 -28.586 52.789 -46.343 1.00 23.36 -ATOM 4569 CG2 VAL F 644 -29.160 55.241 -46.476 1.00 24.18 -ATOM 0 H VAL F 644 -31.491 54.325 -48.739 1.00 37.32 H new -ATOM 0 HA VAL F 644 -28.554 54.146 -48.864 1.00 29.44 H new -ATOM 0 HB VAL F 644 -30.532 53.602 -46.584 1.00 37.20 H new -ATOM 0 1HG1 VAL F 644 -28.610 52.862 -45.246 1.00 23.36 H new -ATOM 0 2HG1 VAL F 644 -28.913 51.785 -46.651 1.00 23.36 H new -ATOM 0 3HG1 VAL F 644 -27.560 52.965 -46.699 1.00 23.36 H new -ATOM 0 1HG2 VAL F 644 -29.167 55.277 -45.377 1.00 24.18 H new -ATOM 0 2HG2 VAL F 644 -28.158 55.506 -46.845 1.00 24.18 H new -ATOM 0 3HG2 VAL F 644 -29.897 55.956 -46.870 1.00 24.18 H new -ATOM 4570 N ALA F 645 -28.537 51.675 -49.211 1.00 22.17 -ATOM 4571 CA ALA F 645 -28.496 50.227 -49.414 1.00 22.02 -ATOM 4572 C ALA F 645 -27.176 49.665 -48.907 1.00 17.48 -ATOM 4573 O ALA F 645 -26.121 50.260 -49.091 1.00 26.13 -ATOM 4574 CB ALA F 645 -28.694 49.873 -50.876 1.00 22.49 -ATOM 0 H ALA F 645 -27.649 52.126 -49.297 1.00 22.17 H new -ATOM 0 HA ALA F 645 -29.321 49.777 -48.842 1.00 22.02 H new -ATOM 0 1HB ALA F 645 -28.658 48.780 -50.997 1.00 22.49 H new -ATOM 0 2HB ALA F 645 -29.671 50.247 -51.215 1.00 22.49 H new -ATOM 0 3HB ALA F 645 -27.896 50.334 -51.477 1.00 22.49 H new -ATOM 4575 N CYS F 646 -27.245 48.514 -48.265 1.00 15.31 -ATOM 4576 CA CYS F 646 -26.069 47.873 -47.726 1.00 10.29 -ATOM 4577 C CYS F 646 -26.025 46.416 -48.157 1.00 17.42 -ATOM 4578 O CYS F 646 -27.063 45.775 -48.359 1.00 18.28 -ATOM 4579 CB CYS F 646 -26.058 48.000 -46.209 1.00 13.68 -ATOM 4580 SG CYS F 646 -25.923 49.735 -45.662 1.00 22.40 -ATOM 0 H CYS F 646 -28.096 48.013 -48.108 1.00 15.31 H new -ATOM 0 HA CYS F 646 -25.170 48.371 -48.118 1.00 10.29 H new -ATOM 0 1HB CYS F 646 -26.979 47.559 -45.799 1.00 13.68 H new -ATOM 0 2HB CYS F 646 -25.216 47.422 -45.801 1.00 13.68 H new -ATOM 0 HG CYS F 646 -25.945 50.520 -46.698 1.00 22.40 H new -ATOM 4581 N PHE F 647 -24.816 45.894 -48.314 1.00 12.63 -ATOM 4582 CA PHE F 647 -24.642 44.559 -48.862 1.00 11.03 -ATOM 4583 C PHE F 647 -23.560 43.798 -48.115 1.00 12.43 -ATOM 4584 O PHE F 647 -22.517 44.360 -47.754 1.00 13.67 -ATOM 4585 CB PHE F 647 -24.340 44.621 -50.378 1.00 11.03 -ATOM 4586 CG PHE F 647 -25.543 44.979 -51.212 1.00 10.02 -ATOM 4587 CD1 PHE F 647 -25.900 46.303 -51.418 1.00 12.62 -ATOM 4588 CD2 PHE F 647 -26.335 43.993 -51.766 1.00 15.09 -ATOM 4589 CE1 PHE F 647 -27.029 46.632 -52.162 1.00 12.24 -ATOM 4590 CE2 PHE F 647 -27.460 44.320 -52.515 1.00 16.72 -ATOM 4591 CZ PHE F 647 -27.807 45.647 -52.703 1.00 9.85 -ATOM 0 H PHE F 647 -23.965 46.362 -48.076 1.00 12.63 H new -ATOM 0 HA PHE F 647 -25.586 44.011 -48.729 1.00 11.03 H new -ATOM 0 1HB PHE F 647 -23.546 45.361 -50.556 1.00 11.03 H new -ATOM 0 2HB PHE F 647 -23.951 43.646 -50.707 1.00 11.03 H new -ATOM 0 HD1 PHE F 647 -25.282 47.105 -50.987 1.00 12.62 H new -ATOM 0 HD2 PHE F 647 -26.073 42.936 -51.613 1.00 15.09 H new -ATOM 0 HE1 PHE F 647 -27.296 47.688 -52.315 1.00 12.24 H new -ATOM 0 HE2 PHE F 647 -28.075 43.523 -52.959 1.00 16.72 H new -ATOM 0 HZ PHE F 647 -28.704 45.907 -53.284 1.00 9.85 H new -ATOM 4592 N THR F 648 -23.826 42.517 -47.875 1.00 10.49 -ATOM 4593 CA THR F 648 -22.839 41.623 -47.290 1.00 10.48 -ATOM 4594 C THR F 648 -22.057 40.981 -48.409 1.00 9.41 -ATOM 4595 O THR F 648 -22.620 40.552 -49.421 1.00 8.48 -ATOM 4596 CB THR F 648 -23.496 40.492 -46.436 1.00 6.89 -ATOM 4597 OG1 THR F 648 -24.088 41.059 -45.274 1.00 21.18 -ATOM 4598 CG2 THR F 648 -22.482 39.527 -45.968 1.00 6.89 -ATOM 0 H THR F 648 -24.705 42.084 -48.075 1.00 10.49 H new -ATOM 0 HA THR F 648 -22.194 42.217 -46.626 1.00 10.48 H new -ATOM 0 HB THR F 648 -24.241 39.987 -47.069 1.00 6.89 H new -ATOM 0 HG1 THR F 648 -24.510 40.336 -44.728 1.00 21.18 H new -ATOM 0 1HG2 THR F 648 -22.970 38.743 -45.370 1.00 6.89 H new -ATOM 0 2HG2 THR F 648 -21.983 39.070 -46.835 1.00 6.89 H new -ATOM 0 3HG2 THR F 648 -21.737 40.048 -45.349 1.00 6.89 H new -ATOM 4599 N ARG F 649 -20.752 40.914 -48.212 1.00 8.13 -ATOM 4600 CA ARG F 649 -19.896 40.150 -49.083 1.00 10.79 -ATOM 4601 C ARG F 649 -20.067 38.677 -48.710 1.00 6.89 -ATOM 4602 O ARG F 649 -19.522 38.216 -47.723 1.00 6.89 -ATOM 4603 CB ARG F 649 -18.447 40.613 -48.908 1.00 12.42 -ATOM 4604 CG ARG F 649 -17.544 40.327 -50.098 1.00 6.89 -ATOM 4605 CD ARG F 649 -17.295 38.861 -50.239 1.00 7.33 -ATOM 4606 NE ARG F 649 -15.996 38.600 -50.848 1.00 16.02 -ATOM 4607 CZ ARG F 649 -15.604 37.419 -51.308 1.00 10.20 -ATOM 4608 NH1 ARG F 649 -16.423 36.376 -51.231 1.00 6.89 -ATOM 4609 NH2 ARG F 649 -14.391 37.298 -51.843 1.00 6.89 -ATOM 0 H ARG F 649 -20.275 41.376 -47.464 1.00 8.13 H new -ATOM 0 HA ARG F 649 -20.160 40.294 -50.141 1.00 10.79 H new -ATOM 0 1HB ARG F 649 -18.443 41.696 -48.713 1.00 12.42 H new -ATOM 0 2HB ARG F 649 -18.025 40.124 -48.018 1.00 12.42 H new -ATOM 0 1HG ARG F 649 -18.008 40.714 -51.017 1.00 6.89 H new -ATOM 0 2HG ARG F 649 -16.587 40.855 -49.973 1.00 6.89 H new -ATOM 0 1HD ARG F 649 -17.342 38.382 -49.250 1.00 7.33 H new -ATOM 0 2HD ARG F 649 -18.088 38.409 -50.853 1.00 7.33 H new -ATOM 0 HE ARG F 649 -15.356 39.365 -50.924 1.00 16.02 H + new -ATOM 0 1HH1 ARG F 649 -17.332 36.483 -50.827 1.00 6.89 H + new -ATOM 0 2HH1 ARG F 649 -16.131 35.484 -51.577 1.00 6.89 H + new -ATOM 0 1HH2 ARG F 649 -13.786 38.092 -51.895 1.00 6.89 H + new -ATOM 0 2HH2 ARG F 649 -14.085 36.413 -52.193 1.00 6.89 H + new -ATOM 4610 N LEU F 650 -20.850 37.954 -49.496 1.00 9.16 -ATOM 4611 CA LEU F 650 -21.075 36.531 -49.263 1.00 9.33 -ATOM 4612 C LEU F 650 -19.792 35.726 -49.326 1.00 9.96 -ATOM 4613 O LEU F 650 -18.873 36.087 -50.042 1.00 19.44 -ATOM 4614 CB LEU F 650 -22.073 35.971 -50.275 1.00 7.43 -ATOM 4615 CG LEU F 650 -23.469 36.587 -50.233 1.00 12.17 -ATOM 4616 CD1 LEU F 650 -24.305 36.046 -51.375 1.00 7.35 -ATOM 4617 CD2 LEU F 650 -24.139 36.340 -48.864 1.00 8.73 -ATOM 0 H LEU F 650 -21.334 38.322 -50.290 1.00 9.16 H new -ATOM 0 HA LEU F 650 -21.484 36.440 -48.246 1.00 9.33 H new -ATOM 0 1HB LEU F 650 -21.661 36.110 -51.285 1.00 7.43 H new -ATOM 0 2HB LEU F 650 -22.165 34.887 -50.111 1.00 7.43 H new -ATOM 0 HG LEU F 650 -23.385 37.677 -50.358 1.00 12.17 H new -ATOM 0 1HD1 LEU F 650 -25.309 36.494 -51.339 1.00 7.35 H new -ATOM 0 2HD1 LEU F 650 -23.826 36.298 -52.332 1.00 7.35 H new -ATOM 0 3HD1 LEU F 650 -24.388 34.953 -51.284 1.00 7.35 H new -ATOM 0 1HD2 LEU F 650 -25.142 36.793 -48.859 1.00 8.73 H new -ATOM 0 2HD2 LEU F 650 -24.225 35.258 -48.687 1.00 8.73 H new -ATOM 0 3HD2 LEU F 650 -23.529 36.794 -48.069 1.00 8.73 H new -ATOM 4618 N PRO F 651 -19.737 34.613 -48.582 1.00 19.39 -ATOM 4619 CA PRO F 651 -18.606 33.674 -48.637 1.00 13.70 -ATOM 4620 C PRO F 651 -18.482 33.125 -50.036 1.00 10.21 -ATOM 4621 O PRO F 651 -19.496 32.899 -50.689 1.00 10.69 -ATOM 4622 CB PRO F 651 -19.058 32.531 -47.711 1.00 6.89 -ATOM 4623 CG PRO F 651 -20.541 32.617 -47.738 1.00 6.89 -ATOM 4624 CD PRO F 651 -20.825 34.094 -47.730 1.00 10.69 -ATOM 0 HA PRO F 651 -17.647 34.132 -48.355 1.00 13.70 H new -ATOM 0 1HB PRO F 651 -18.704 31.554 -48.073 1.00 6.89 H new -ATOM 0 2HB PRO F 651 -18.665 32.658 -46.692 1.00 6.89 H new -ATOM 0 1HG PRO F 651 -20.955 32.133 -48.635 1.00 6.89 H new -ATOM 0 2HG PRO F 651 -20.989 32.117 -46.866 1.00 6.89 H new -ATOM 0 1HD PRO F 651 -21.818 34.326 -48.142 1.00 10.69 H new -ATOM 0 2HD PRO F 651 -20.791 34.516 -46.715 1.00 10.69 H new -ATOM 4625 N THR F 652 -17.259 32.895 -50.485 1.00 9.92 -ATOM 4626 CA THR F 652 -17.069 32.343 -51.808 1.00 17.66 -ATOM 4627 C THR F 652 -17.373 30.859 -51.770 1.00 14.01 -ATOM 4628 O THR F 652 -16.925 30.172 -50.860 1.00 6.89 -ATOM 4629 CB THR F 652 -15.651 32.576 -52.315 1.00 10.31 -ATOM 4630 OG1 THR F 652 -15.468 33.974 -52.523 1.00 18.23 -ATOM 4631 CG2 THR F 652 -15.449 31.859 -53.618 1.00 8.38 -ATOM 0 H THR F 652 -16.419 33.075 -49.973 1.00 9.92 H new -ATOM 0 HA THR F 652 -17.754 32.852 -52.503 1.00 17.66 H new -ATOM 0 HB THR F 652 -14.928 32.197 -51.577 1.00 10.31 H new -ATOM 0 HG1 THR F 652 -14.691 34.293 -51.981 1.00 18.23 H new -ATOM 0 1HG2 THR F 652 -14.424 32.032 -53.977 1.00 8.38 H new -ATOM 0 2HG2 THR F 652 -15.609 30.780 -53.472 1.00 8.38 H new -ATOM 0 3HG2 THR F 652 -16.166 32.238 -54.361 1.00 8.38 H new -ATOM 4632 N PRO F 653 -18.155 30.371 -52.751 1.00 17.25 -ATOM 4633 CA PRO F 653 -18.386 28.930 -52.898 1.00 13.71 -ATOM 4634 C PRO F 653 -17.032 28.223 -53.046 1.00 14.36 -ATOM 4635 O PRO F 653 -16.199 28.661 -53.835 1.00 15.08 -ATOM 4636 CB PRO F 653 -19.181 28.830 -54.207 1.00 21.24 -ATOM 4637 CG PRO F 653 -19.707 30.216 -54.472 1.00 15.78 -ATOM 4638 CD PRO F 653 -18.716 31.150 -53.870 1.00 12.28 -ATOM 0 HA PRO F 653 -18.910 28.472 -52.046 1.00 13.71 H new -ATOM 0 1HB PRO F 653 -18.541 28.486 -55.033 1.00 21.24 H new -ATOM 0 2HB PRO F 653 -20.004 28.106 -54.115 1.00 21.24 H new -ATOM 0 1HG PRO F 653 -19.814 30.397 -55.552 1.00 15.78 H new -ATOM 0 2HG PRO F 653 -20.702 30.353 -54.022 1.00 15.78 H new -ATOM 0 1HD PRO F 653 -17.939 31.440 -54.593 1.00 12.28 H new -ATOM 0 2HD PRO F 653 -19.192 32.078 -53.521 1.00 12.28 H new -ATOM 4639 N ALA F 654 -16.811 27.173 -52.272 1.00 10.16 -ATOM 4640 CA ALA F 654 -15.535 26.465 -52.275 1.00 19.46 -ATOM 4641 C ALA F 654 -15.307 25.647 -53.551 1.00 19.70 -ATOM 4642 O ALA F 654 -16.016 24.676 -53.807 1.00 18.18 -ATOM 4643 CB ALA F 654 -15.452 25.564 -51.063 1.00 22.79 -ATOM 0 H ALA F 654 -17.489 26.795 -51.641 1.00 10.16 H new -ATOM 0 HA ALA F 654 -14.742 27.227 -52.241 1.00 19.46 H new -ATOM 0 1HB ALA F 654 -14.490 25.031 -51.067 1.00 22.79 H new -ATOM 0 2HB ALA F 654 -15.531 26.170 -50.149 1.00 22.79 H new -ATOM 0 3HB ALA F 654 -16.275 24.834 -51.091 1.00 22.79 H new -ATOM 4644 N ILE F 655 -14.322 26.056 -54.350 1.00 34.54 -ATOM 4645 CA ILE F 655 -13.950 25.322 -55.556 1.00 27.92 -ATOM 4646 C ILE F 655 -12.648 24.558 -55.316 1.00 45.78 -ATOM 4647 O ILE F 655 -11.607 24.881 -55.885 1.00 57.55 -ATOM 4648 CB ILE F 655 -13.831 26.248 -56.779 1.00 31.18 -ATOM 4649 CG1 ILE F 655 -15.133 27.035 -56.977 1.00 33.61 -ATOM 4650 CG2 ILE F 655 -13.483 25.449 -58.039 1.00 24.92 -ATOM 4651 CD1 ILE F 655 -15.236 27.743 -58.336 1.00 26.79 -ATOM 0 H ILE F 655 -13.777 26.878 -54.185 1.00 34.54 H new -ATOM 0 HA ILE F 655 -14.752 24.603 -55.780 1.00 27.92 H new -ATOM 0 HB ILE F 655 -13.014 26.962 -56.596 1.00 31.18 H new -ATOM 0 1HG1 ILE F 655 -15.985 26.347 -56.868 1.00 33.61 H new -ATOM 0 2HG1 ILE F 655 -15.221 27.785 -56.177 1.00 33.61 H new -ATOM 0 1HG2 ILE F 655 -13.404 26.133 -58.897 1.00 24.92 H new -ATOM 0 2HG2 ILE F 655 -12.523 24.932 -57.893 1.00 24.92 H new -ATOM 0 3HG2 ILE F 655 -14.272 24.707 -58.233 1.00 24.92 H new -ATOM 0 1HD1 ILE F 655 -16.193 28.281 -58.398 1.00 26.79 H new -ATOM 0 2HD1 ILE F 655 -14.406 28.458 -58.442 1.00 26.79 H new -ATOM 0 3HD1 ILE F 655 -15.182 26.998 -59.143 1.00 26.79 H new -ATOM 4652 N LEU F 656 -12.718 23.552 -54.448 1.00 60.95 -ATOM 4653 CA LEU F 656 -11.580 22.687 -54.166 1.00 65.15 -ATOM 4654 C LEU F 656 -11.477 21.587 -55.223 1.00 77.09 -ATOM 4655 O LEU F 656 -10.382 21.125 -55.553 1.00 70.96 -ATOM 4656 CB LEU F 656 -11.714 22.079 -52.767 1.00 56.12 -ATOM 4657 CG LEU F 656 -10.701 21.017 -52.304 1.00 85.06 -ATOM 4658 CD1 LEU F 656 -11.036 19.607 -52.827 1.00 60.97 -ATOM 4659 CD2 LEU F 656 -9.259 21.411 -52.642 1.00 82.19 -ATOM 0 H LEU F 656 -13.544 23.320 -53.934 1.00 60.95 H new -ATOM 0 HA LEU F 656 -10.659 23.288 -54.199 1.00 65.15 H new -ATOM 0 1HB LEU F 656 -11.679 22.906 -52.043 1.00 56.12 H new -ATOM 0 2HB LEU F 656 -12.717 21.632 -52.696 1.00 56.12 H new -ATOM 0 HG LEU F 656 -10.784 20.976 -51.208 1.00 85.06 H new -ATOM 0 1HD1 LEU F 656 -10.281 18.893 -52.466 1.00 60.97 H new -ATOM 0 2HD1 LEU F 656 -12.029 19.306 -52.462 1.00 60.97 H new -ATOM 0 3HD1 LEU F 656 -11.037 19.614 -53.927 1.00 60.97 H new -ATOM 0 1HD2 LEU F 656 -8.572 20.625 -52.294 1.00 82.19 H new -ATOM 0 2HD2 LEU F 656 -9.157 21.531 -53.731 1.00 82.19 H new -ATOM 0 3HD2 LEU F 656 -9.012 22.360 -52.145 1.00 82.19 H new diff --git a/journal.pone.0161879.PDF b/journal.pone.0161879.PDF deleted file mode 100644 index 6516ec5..0000000 Binary files a/journal.pone.0161879.PDF and /dev/null differ diff --git a/pyproject.toml b/pyproject.toml new file mode 100644 index 0000000..d29aa11 --- /dev/null +++ b/pyproject.toml @@ -0,0 +1,6 @@ +[build-system] +name = "DockQ" +version = "2.0" +requires = ["setuptools", "cython", "tqdm", "numpy ~= 1.21", "biopython >= 1.79"] +build-backend = "setuptools.build_meta" + diff --git a/run_test.sh b/run_test.sh new file mode 100644 index 0000000..2e38441 --- /dev/null +++ b/run_test.sh @@ -0,0 +1,51 @@ +#!/bin/bash +set -euo pipefail + +rm -f test .coverage + +if command -v coverage &> /dev/null; then + binary="coverage run -a -m DockQ.DockQ" +else + binary="DockQ" +fi + +$binary examples/1A2K_r_l_b.model.pdb examples/1A2K_r_l_b.pdb --no_align > test +diff test testdata/1A2K.dockq +$binary examples/1A2K_r_l_b.model.pdb examples/1A2K_r_l_b.pdb > test +diff test testdata/1A2K.dockq + +# Multiple interfaces +$binary examples/dimer_dimer.model.pdb examples/dimer_dimer.pdb --short > test +diff test testdata/dimer_dimer.dockq + +# Test on structures with slightly different sequences +$binary examples/model.pdb examples/native.pdb --allowed_mismatches 1 > test +diff test testdata/model.dockq + +# lowmem test +$binary examples/1EXB_r_l_b.model.pdb examples/1EXB_r_l_b.pdb --short > test +diff test testdata/1EXB.dockq + +# Test various mapping strategies +$binary examples/1EXB_r_l_b.model.pdb examples/1EXB_r_l_b.pdb --short --mapping AB*:BA* > test +diff test testdata/1EXB_AB.BA.dockq +$binary examples/1EXB_r_l_b.model.pdb examples/1EXB_r_l_b.pdb --short --mapping :ABC > test +diff test testdata/1EXB_.ABC.dockq +$binary examples/1EXB_r_l_b.model.pdb examples/1EXB_r_l_b.pdb --short --mapping ABCDEFGH:BADCFEHG > test +diff test testdata/1EXB_ABCDEFGH.BADCFEHG.dockq + +# Test that cif parsing behaves same as pdb parsing +$binary examples/1EXB_r_l_b.model.pdb examples/1EXB_r_l_b.pdb --mapping DH:AE > test +diff test testdata/1EXB_DH.AE.dockq +$binary examples/1EXB_r_l_b.model.pdb examples/1EXB.cif.gz --mapping DH:AE > test +diff test testdata/1EXB_DH.AE_cif.dockq + +# Peptide measures +$binary examples/6qwn-assembly1.cif.gz examples/6qwn-assembly2.cif.gz --capri_peptide > test +diff test testdata/6q2n_peptide.dockq + +# Test that cython version behaves the same as nocython +python src/DockQ/DockQ.py examples/1A2K_r_l_b.model.pdb examples/1A2K_r_l_b.pdb > test +diff test testdata/1A2K.dockq +python src/DockQ/DockQ.py examples/1A2K_r_l_b.model.pdb examples/1A2K_r_l_b.pdb --no_align > test +diff test testdata/1A2K.dockq diff --git a/scripts/README.numbering b/scripts/README.numbering deleted file mode 100644 index bd7fd5c..0000000 --- a/scripts/README.numbering +++ /dev/null @@ -1,23 +0,0 @@ - - -# fix_numbering performs a sequence alignment between the model and the native based on the "Needleman–Wunsch algorithm" and slides the unaligned residues appropreately in both structure. - -usage: ./fix_numbering.pl - OUTFILE: model.fixed - -e.g., ./fix_numbering.pl model_unfixed.pdb native_unfixed.pdb - ->MODEL: -SVIHPLQNLLTSRDGSLVFAIIKNCILSFKYQSPNHWEFAGKWSDDFPIYSYIRNLRLTSDESRLIACADSDKSLLVFDVDKTSKNVLKLRKRFCFSKRPNAISIAEDDTTVIIADKFGDVYSIDINSIPEEKFTQEPILGHVSMLTDVHLIKDSDGHQFIITSDRDEHIKISHYPQCFIVDKWLFGHKHFVSSICCGKDYLLLSAGGDDKIFAWDWKTGKNLSTFDYNSLIKPYLNDQHLA-PIIEFAVSKIIKSKNLPFVAFFVEATKCIIILEMSEKQKGDLALKQIITFPYNVISLSAHNDEFQVTLDNKESSGVQKNFAKFIEYNLNENSFVVNNEKSNEFDSAIIQSVQGDSNLVTKKEEIYPLYNVSSL-------PQDMDWSKLYPYYK-----QMTKKVTIADIGCGFGGLMIDLSPAFPEDLILGMEIRVQVTNYVEDRIIALRNNTASKHGFQNINVLRGNAMKFLPNFFEKGQLSKMFFCFPDPHKARIITNTLLSEYAYVLKEGGVVYTITDVKDLHEWMVKHLEEHPLFERLSKEWEENDECVKIMRNATEEGKKVERKKGDKFVACFTRLPTPAIL - ->NATIVE: -SVIHPLQNLLTSRDGSLVFAIIKNCILSFKYQSPNHWEFAGKWSDDFPIYSYIRNLRLTSDESRLIACADSDKSLLVFDVDKTSKNVLKLRKRFCFSKRPNAISIAEDDTTVIIADKFGDVYSIDINSIPEEKFTQEPILGHVSMLTDVHLIKDSDGHQFIITSDRDEHIKISHYPQCFIVDKWLFGHKHFVSSICCGKDYLLLSAGGDDKIFAWDWKTGKNLSTFDYNSLIKPYLNDQHLAPPIIEFAVSKIIKSKNLPFVAFFVEATKCIIILEMSEKQKGDLALKQIITFPYNVISLSAHNDEFQVTLDNKESSGVQKNFAKFIEYNLNENSFVVNNEKSNEFDSAIIQSVQGDSNLVTKKEEIYPLYNVSSLQLEYPVSPQDMDWSKLYPYYKNAENGQMTKKVTIADIGCGFGGLMIDLSPAFPEDLILGMEIRVQVTNYVEDRIIALRNNTASKHGFQNINVLRGNAMKFLPNFFEKGQLSKMFFCFPDP---RIITNTLLSEYAYVLKEGGVVYTITDVKDLHEWMVKHLEEHPLFERLSKEWEENDECVKIMRNAT-----------DKFVACFTRLPTPAIL - -YOU NEED TO HAVE 'needle' INSTALLED AS PART OF THE EMBOS PACKAGE: http://emboss.sourceforge.net/apps/release/6.6/emboss/apps/needle.html - -# renumber_pdb.pl renumbers residues from 1 for each of the two chains in a complex PDB file containing multiple chains for either the receptor or the ligand or both. - -usage: ./renumbering.pl - OUTFILE: PDB.renum - - diff --git a/scripts/fix_numbering.pl b/scripts/fix_numbering.pl deleted file mode 100755 index 223e811..0000000 --- a/scripts/fix_numbering.pl +++ /dev/null @@ -1,300 +0,0 @@ -#!/usr/bin/perl -use File::Temp qw/ tempfile /; - - -if(scalar(@ARGV)==0) { - print STDERR "\nusage: ./fix_numbering.pl \n OUTFILE: model.fixed\n\n "; - - $chneedle=`which needle`; - print $chneedle,"\n"; - if ($chneedle =~ m/needle/) - { - print "needle found to be installed in the path\n"; - } - else - { - print "needle NOT found in the path\n"; - print "YOU NEED TO HAVE 'needle' INSTALLED AS PART OF THE EMBOSS PACKAGE: http://emboss.sourceforge.net/apps/release/6.6/emboss/apps/needle.html\n"; - } - exit; -} - - - - - - -$pdb_model=$ARGV[0]; -$pdb_template=$ARGV[1]; -$use_CA=1; #to get sequence -if(defined($ARGV[2])) { - $use_CA=0; -} -$a=0; -if($use_CA) { - ($seq_model,$resnum_model)=aa321_resnum($pdb_model); -} else { - ($seq_model,$resnum_model)=aa321_resnumANY($pdb_model); -} -$a=1 if(defined($resnum_model)); - -if($use_CA) { - ($seq_template,$resnum_template)=aa321_resnum($pdb_template); -} else { - ($seq_template,$resnum_template)=aa321_resnumANY($pdb_template); - -} -($ali_model,$ali_template)=align($seq_model,$seq_template); -if(length($ali_model)==0) { - - exit; -} -@ali_model=split(//,$ali_model); -@ali_template=split(//,$ali_template); -@ali_resnum_model=(); -my $pos=0; -my $insert_num=9000; -for(my $i=0;$i"$pdb_model.num"); -print ">MODEL:\n$ali_model\n\n>NATIVE:\n$ali_template\n"; -#print STDERR ">MODEL:\n$ali_model\n\n>NATIVE:\n$ali_template\n"; -#exit; -my $old_resnum="whatever"; -$pos=-1; -#ATOM 1226 N GLY A 188A 20.672 19.160 17.606 1.00 26.27 -open(MODEL,$pdb_model); -open(OUT,">$pdb_model.fixed"); -while() { - # print "A: "; - # print; - if(/^ATOM/) { -# my $atomno=substr($_, 7, 4); -# my $atomtypeq=substr($_, 13, 3); - my $resnum=substr($_,22,5); - $resnum=~s/\s+//g; - #print "$resnum $old_resnum $atomtype\n"; - if($old_resnum ne $resnum) - { - $pos++; -# print "POS $ali_resnum_model[$pos] $_"; - } - $old_resnum=$resnum; - #print $pos."\n"; - if($ali_resnum_model[$pos]=~/X/) { - substr($_,22,5)=sprintf("%-5s",$ali_resnum_model[$pos]); - } else { - substr($_,22,5)=sprintf("%5s",$ali_resnum_model[$pos]); - } - - } -# print "B: "; - print OUT; -} - - - -sub align # Takes two strings removes all dashes and returns the alignment. -{ - my ($seq1,$seq2)=@_; - my $needle_linux="/usr/bin/needle"; - my $needle_mac="/opt/local/bin/needle"; - my $osname = $^O; - my $input1=$seq1; - my $input2=$seq2; - $seq1=~s/-//g; - $seq2=~s/-//g; - #$seq1=remove_dashes($seq1); - #$seq2=remove_dashes($seq2); - $seq1=~s/\n//g; - $seq2=~s/\n//g; - $seq1=~s/\s+//g; - $seq2=~s/\s+//g; - - my ($fh1,$file1)=tempfile("/tmp/seq.XXXXXXXX"); - my ($fh2,$file2)=tempfile("/tmp/seq.XXXXXXXX"); - my ($fh3,$file3)=tempfile("/tmp/ali.XXXXXXXX"); - close($fh3); - print $fh1 ">seq1\n$seq1\n"; - close($fh1); - print $fh2 ">seq2\n$seq2\n"; - close($fh2); - - if($osname eq "linux" && -e $needle_linux) { - $needle=$needle_linux; - } - if($osname eq "darwin" && -e $needle_mac) { - $needle=$needle_mac; - } - - #print "needle -aseq $file1 -bseq $file2 -gapopen 10 -gapextend 0.5 -outfile $file3\n"; - `needle -aseq $file1 -bseq $file2 -gapopen 1 -gapextend 0.5 -outfile $file3 > /dev/null 2>&1`; - #print $file3."\n"; - ($ali_return1,$ali_return2)=parse_needle_output($file3); - `rm $file1 $file2 $file3`; - - - return ($ali_return1,$ali_return2); - -} - -sub parse_needle_output -{ - my $file=shift; - my $seq1=""; - my $seq2=""; - my $header1=""; - my $header2=""; - - my $isFirst=1; - open(FILE,$file); - while(){ - next if (/^#/); - if(/^(.{13})(.{6}\d)\ ([\w\-]+)/){ - # print "header:$1, seqnro:$2, seq:$3|\n"; - my $header = $1; - my $seq = $3; - if ($isFirst){ - $seq1.=$seq; - $header1 = $header; - $isFirst=0; - } - else { - $seq2.=$seq; - $header2 = $header; - $isFirst=1; - } - } - - } - close(FILE); - if(length($seq1) == 0) { - - print STDERR "needle from the EMBOSS package needs to be installed.\n"; - } - return($seq1,$seq2); -} -sub aa321_resnum -{ - my $file=shift; - my $seq=""; - my $old_resnum="whatever"; - my @resnum=(); - open(PDB,"$file"); - while() - { - if(/^ATOM\s/) - { - my $atomno=substr($_, 7, 4); - my $atomtype=substr($_, 12, 4); - my $resnum=substr($_,22,5); -# $resnum=~s/\s+//g; - #print "$resnum $old_resnum $atomtype\n"; - if($atomtype=~/CA/ && $old_resnum ne $resnum) - { - $res=substr($_,17, 3); - $seq.=aa321($res); - # print $table{$res}; - push(@resnum,$resnum); - $old_resnum=$resnum; - } - } - - last if(/^ENDMDL/); - } - close(PDB); - if(scalar(@resnum)==0) { #read sequence - $seq=`grep -v '>' $file`; - $seq=~s/\n//g; - my @seq=split(//,$seq); - for(my $i=0;$i) - { - if(/^ATOM/) - { - my $atomno=substr($_, 7, 4); - my $atomtype=substr($_, 12, 4); - my $resnum=substr($_,22,5); -# $resnum=~s/\s+//g; - #print "$resnum $old_resnum $atomtype\n"; - if($old_resnum ne $resnum) - { - $res=substr($_,17, 3); - $seq.=aa321($res); - # print $table{$res}; - push(@resnum,$resnum); - $old_resnum=$resnum; - } - } - - last if(/^ENDMDL/); - } - close(PDB); - # print "\n"; - return ($seq,\@resnum); -} -sub aa321 -{ - my $aa=shift; - my %aa321=('ALA', 'A', - 'ARG', 'R', - 'ASN', 'N', - 'ASP', 'D', - 'CYS', 'C', - 'GLN', 'Q', - 'GLU', 'E', - 'GLY', 'G', - 'HIS', 'H', - 'ILE', 'I', - 'LEU', 'L', - 'LYS', 'K', - 'MET', 'M', - 'PHE', 'F', - 'PRO', 'P', - 'SER', 'S', - 'THR', 'T', - 'TRP', 'W', - 'TYR', 'Y', - 'VAL', 'V', - 'ASX', 'B', - 'GLX', 'Z', - 'XXX', 'A', - 'MSE', 'M', - 'FME', 'M', - 'PCA', 'E', - '5HP', 'E', - 'SAC', 'S', - 'CCS', 'C'); - my $aa1=0; - $aa1=$aa321{$aa} if(defined($aa321{$aa})); - return($aa1); - -} diff --git a/scripts/renumber_pdb.pl b/scripts/renumber_pdb.pl deleted file mode 100755 index d0dca36..0000000 --- a/scripts/renumber_pdb.pl +++ /dev/null @@ -1,69 +0,0 @@ -#!/usr/bin/perl -w -#require 'bjornlib.pl'; - -if(scalar(@ARGV)==0) { - print STDERR "\nusage: ./renumber_pdb.pl \n OUTFILE: PDB.renum\n\n"; - exit; - -} - -$diff=1; -if(defined($ARGV[1])) { - $diff=$ARGV[1]; -} -#$file=number_pdb($ARGV[0],205+20); -$file=number_pdb($ARGV[0],$diff); -$outfile=$ARGV[0].'.renum'; -open (OUT,">$outfile"); -print OUT $file; - - -sub number_pdb #Takes a pdbfile and a number to start with, and starts renumbering the file from there -{ - my($file,$number)=@_; - my $in_number=$number; - # $number--; - my $oldresno=""; - my $old_chain=" "; - my $temp=""; - my $new_file=""; - my $atomcount=1; - my $c="A"; -# my $c=" "; - open(PDB,"$file"); - while() - { - my $line=$_; - if($line=~/^ATOM/) - { - my $chain=substr($line,21,1); - my $resno=substr($line, 22, 4); - if($oldresno ne $resno) - { - $number++; - if($old_chain ne $chain) { - $number=$in_number; - $new_file.="TER\n" if(length($new_file)>0); - } - $temp=sprintf("%4d",$number); - } - substr($line,6,5)=sprintf("%5d",$atomcount); - $atomcount++; - substr($line, 22, 4)=$temp; - - substr($line, 26, 1)=" "; - #substr($line, 21, 1)="$c"; - $oldresno=$resno; - $old_chain=$chain; - $new_file.=$line; - } - if(/ENDMDL|^TER/) { - # $number=$in_number; - #$c="B"; - - - } - - } - return $new_file; -} diff --git a/setup.cfg b/setup.cfg new file mode 100644 index 0000000..a206c6c --- /dev/null +++ b/setup.cfg @@ -0,0 +1,27 @@ +[metadata] +name = DockQ +version = 2.0 + +[options] +package_dir = + =src +packages = find: +install_requires = + setuptools + cython + tqdm + parallelbar + numpy~=1.21 + biopython>=1.79 + +[options.packages.find] +where=src + +[options.entry_points] +console_scripts = + DockQ = DockQ.__main__:main + +[coverage:run] +include = + */DockQ/* + diff --git a/setup.py b/setup.py new file mode 100644 index 0000000..2b083c7 --- /dev/null +++ b/setup.py @@ -0,0 +1,14 @@ +from setuptools import setup, Extension +from Cython.Build import cythonize +import numpy + +extensions = [ + Extension( + "DockQ.operations", sources=["src/DockQ/operations.pyx"], + include_dirs=[numpy.get_include()], + ), + ] + +setup( + ext_modules=cythonize(extensions) +) diff --git a/src/DockQ/DockQ.py b/src/DockQ/DockQ.py new file mode 100755 index 0000000..67d77e1 --- /dev/null +++ b/src/DockQ/DockQ.py @@ -0,0 +1,944 @@ +#!/usr/bin/env python + +import sys +import gzip +import math +import warnings +import itertools +from collections import Counter +from argparse import ArgumentParser +from functools import lru_cache, partial + +import numpy as np +from Bio import Align +from Bio.SeqUtils import seq1 +from Bio.SVDSuperimposer import SVDSuperimposer +from parallelbar import progress_map + + +# fallback in case the cython version doesn't work, though it will be slower +try: + from .operations import residue_distances, get_fnat_stats + from .parsers import PDBParser, MMCIFParser +except ImportError: + warnings.warn( + """WARNING: It looks like cython is not working, + falling back on native python. This will make DockQ slower""" + ) + from operations_nocy import residue_distances, get_fnat_stats + from parsers import PDBParser, MMCIFParser + + +def parse_args(): + parser = ArgumentParser( + description="DockQ - Quality measure for \ + protein-protein docking models" + ) + parser.add_argument("model", metavar="", type=str, help="Path to model file") + parser.add_argument( + "native", metavar="", type=str, help="Path to native file" + ) + parser.add_argument( + "--capri_peptide", + default=False, + action="store_true", + help="use version for capri_peptide \ + (DockQ cannot not be trusted for this setting)", + ) + parser.add_argument( + "--short", default=False, action="store_true", help="Short output" + ) + parser.add_argument( + "--verbose", "-v", default=False, action="store_true", help="Verbose output" + ) + parser.add_argument( + "--no_align", + default=False, + action="store_true", + help="Do not align native and model using sequence alignments, but use the numbering of residues instead", + ) + parser.add_argument( + "--n_cpu", + default=8, + type=int, + metavar="CPU", + help="Number of cores to use", + ) + parser.add_argument( + "--max_chunk", + default=512, + type=int, + metavar="CHUNK", + help="Maximum size of chunks given to the cores, actual chunksize is min(max_chunk,combos/cpus)", + ) + parser.add_argument( + "--optDockQF1", + default=False, + action="store_true", + help="Optimize on DockQ_F1 instead of DockQ", + ) + parser.add_argument( + "--allowed_mismatches", + default=0, + type=int, + help="Number of allowed mismatches when mapping model sequence to native sequence.", + ) + parser.add_argument( + "--mapping", + default=None, + metavar="MODELCHAINS:NATIVECHAINS", + help="""Specify a chain mapping between model and native structure. + If the native contains two chains "H" and "L" + while the model contains two chains "A" and "B", + and chain A is a model of native chain + H and chain B is a model of native chain L, + the flag can be set as: '--mapping AB:HL'. + This can also help limit the search to specific native interfaces. + For example, if the native is a tetramer (ABCD) but the user is only interested + in the interface between chains B and C, the flag can be set as: '--mapping :BC' + or the equivalent '--mapping *:BC'.""", + ) + + return parser.parse_args() + + +@lru_cache +def get_aligned_residues(chainA, chainB, alignment): + aligned_resA = [] + aligned_resB = [] + resA = chainA.get_residues() + resB = chainB.get_residues() + + if alignment[0] == alignment[2]: + return tuple(resA), tuple(resB) + + for A, match, B in zip(*alignment): + if A != "-": + rA = next(resA) + if B != "-": + rB = next(resB) + + if match == "|": + aligned_resA.append(rA) + aligned_resB.append(rB) + + return tuple(aligned_resA), tuple(aligned_resB) + + +@lru_cache +def get_residue_distances(chain1, chain2, what, all_atom=True): + if all_atom: + # how many atoms per aligned amino acid + n_atoms_per_res_chain1 = list_atoms_per_residue(chain1, what) + n_atoms_per_res_chain2 = list_atoms_per_residue(chain2, what) + model_A_atoms = np.asarray( + [atom.coord for res in chain1 for atom in res.get_atoms()] + ) + model_B_atoms = np.asarray( + [atom.coord for res in chain2 for atom in res.get_atoms()] + ) + + else: # distances were already between CBs only + model_A_atoms = np.asarray( + [ + res["CB"].get_coord() if "CB" in res else res["CA"].get_coord() + for res in chain1 + ] + ) + model_B_atoms = np.asarray( + [ + res["CB"].get_coord() if "CB" in res else res["CA"].get_coord() + for res in chain2 + ] + ) + + n_atoms_per_res_chain1 = np.ones(model_A_atoms.shape[0]).astype(int) + n_atoms_per_res_chain2 = np.ones(model_B_atoms.shape[0]).astype(int) + + model_res_distances = residue_distances( + model_A_atoms, model_B_atoms, n_atoms_per_res_chain1, n_atoms_per_res_chain2 + ) + return model_res_distances + + +# @profile +def calc_DockQ( + sample_chains, + ref_chains, + alignments, + capri_peptide=False, + low_memory=False, +): + atom_for_sup = ( + "CA", + "C", + "N", + "O", + "P", + "OP1", + "OP2", + "O2'", + "O3'", + "O4'", + "O5'", + "C1'", + "C2'", + "C3'", + "C4'", + "C5'", + ) + fnat_threshold = 4.0 if capri_peptide else 5.0 + interface_threshold = 8.0 if capri_peptide else 10.0 + clash_threshold = 2.0 + # total number of native contacts is calculated on untouched native structure + ref_res_distances = get_residue_distances(ref_chains[0], ref_chains[1], "ref") + nat_total = np.nonzero(np.asarray(ref_res_distances) < fnat_threshold ** 2)[ + 0 + ].shape[0] + + if nat_total == 0: + # if the native has no interface between the two chain groups + # nothing to do here + return None + + aligned_sample_1, aligned_ref_1 = get_aligned_residues( + sample_chains[0], ref_chains[0], alignments[0] + ) + aligned_sample_2, aligned_ref_2 = get_aligned_residues( + sample_chains[1], ref_chains[1], alignments[1] + ) + + sample_res_distances = get_residue_distances( + aligned_sample_1, aligned_sample_2, "sample" + ) + if ref_res_distances.shape != sample_res_distances.shape: + ref_res_distances = get_residue_distances(aligned_ref_1, aligned_ref_2, "ref") + + assert ( + sample_res_distances.shape == ref_res_distances.shape + ), f"Native and model have incompatible sizes ({sample_res_distances.shape} != {ref_res_distances.shape})" + + nat_correct, nonnat_count, _, model_total = get_fnat_stats( + sample_res_distances, ref_res_distances, threshold=fnat_threshold + ) + + # avoids divide by 0 errors + fnat = nat_total and nat_correct / nat_total or 0 + fnonnat = model_total and nonnat_count / model_total or 0 + + if capri_peptide: + ref_res_distances = get_residue_distances( + ref_chains[0], ref_chains[1], "ref", all_atom=False + ) + # Get interfacial atoms from reference, and corresponding atoms from sample + interacting_pairs = get_interacting_pairs( + # working with squared thresholds to avoid using sqrt + ref_res_distances, + threshold=interface_threshold ** 2, + ) + + # get a copy of each structure, then only keep backbone atoms + sample_interface_atoms, ref_interface_atoms = get_interface_atoms( + interacting_pairs, + (aligned_sample_1, aligned_sample_2), + (aligned_ref_1, aligned_ref_2), + atom_types=atom_for_sup, + ) + super_imposer = SVDSuperimposer() + super_imposer.set(sample_interface_atoms, ref_interface_atoms) + super_imposer.run() + irms = super_imposer.get_rms() + + # assign which chains constitute the receptor, ligand + ref_group1_size = len(ref_chains[0]) + ref_group2_size = len(ref_chains[1]) + receptor_chains = ( + (aligned_ref_1, aligned_sample_1) + if ref_group1_size > ref_group2_size + else (aligned_ref_2, aligned_sample_2) + ) + ligand_chains = ( + (aligned_ref_1, aligned_sample_1) + if ref_group1_size <= ref_group2_size + else (aligned_ref_2, aligned_sample_2) + ) + class1, class2 = ( + ("receptor", "ligand") + if ref_group1_size > ref_group2_size + else ("ligand", "receptor") + ) + + receptor_atoms_native, receptor_atoms_sample = np.asarray( + get_atoms_per_residue(receptor_chains, what="receptor", atom_types=atom_for_sup) + ) + ligand_atoms_native, ligand_atoms_sample = np.asarray( + get_atoms_per_residue(ligand_chains, what="ligand", atom_types=atom_for_sup) + ) + # Set to align on receptor + super_imposer.set(receptor_atoms_native, receptor_atoms_sample) + super_imposer.run() + + rot, tran = super_imposer.get_rotran() + rotated_sample_atoms = np.dot(ligand_atoms_sample, rot) + tran + + Lrms = super_imposer._rms( + ligand_atoms_native, rotated_sample_atoms + ) # using the private _rms function which does not superimpose + + info = {} + + info["DockQ_F1"] = dockq_formula( + f1(nat_correct, nonnat_count, nat_total), irms, Lrms + ) + info["DockQ"] = dockq_formula(fnat, irms, Lrms) + if low_memory: + return info + info["irms"] = irms + info["Lrms"] = Lrms + info["fnat"] = fnat + info["nat_correct"] = nat_correct + info["nat_total"] = nat_total + + info["fnonnat"] = fnonnat + info["nonnat_count"] = nonnat_count + info["model_total"] = model_total + info["clashes"] = np.nonzero( + np.asarray(sample_res_distances) < clash_threshold ** 2 + )[0].shape[0] + info["len1"] = ref_group1_size + info["len2"] = ref_group2_size + info["class1"] = class1 + info["class2"] = class2 + + return info + + +def f1(tp, fp, p): + return 2 * tp / (tp + fp + p) + + +def dockq_formula(fnat, irms, Lrms): + return ( + float(fnat) + + 1 / (1 + (irms / 1.5) * (irms / 1.5)) + + 1 / (1 + (Lrms / 8.5) * (Lrms / 8.5)) + ) / 3 + + +@lru_cache +def align_chains(model_chain, native_chain, use_numbering=False): + """ + Function to align two PDB structures. This can be done by sequence (default) or by + numbering. If the numbering is used, then each residue number from the pdb structure + is converted to a unique character. Then the two vectors of character are aligned + as if they were two sequences + """ + + if use_numbering: + model_numbering = [] + native_numbering = [] + + for residue in model_chain.get_residues(): + resn = int(residue.id[1]) + model_numbering.append(resn) + + for residue in native_chain.get_residues(): + resn = int(residue.id[1]) + native_numbering.append(resn) + # if the smallest resn is negative, it will be used to shift all numbers so they start from 0 + # the minimum offset is 45 to avoid including the "-" character that is reserved for gaps + min_resn = max(45, -min(model_numbering + native_numbering)) + + model_sequence = "".join([chr(resn + min_resn) for resn in model_numbering]) + native_sequence = "".join([chr(resn + min_resn) for resn in native_numbering]) + + else: + custom_map = {"MSE": "M", "CME": "C"} + model_sequence = [ + residue.get_resname() for residue in model_chain.get_residues() + ] + native_sequence = [ + residue.get_resname() for residue in native_chain.get_residues() + ] + model_sequence = "".join( + seq1(r, custom_map=custom_map) + if len(r) == 3 + else r[:-1] + if (len(r) == 2) + else r + for r in model_sequence + ) + + native_sequence = "".join( + seq1(r, custom_map=custom_map) + if len(r) == 3 + else r[:-1] + if len(r) == 2 + else r + for r in native_sequence + ) + + aligner = Align.PairwiseAligner() + aligner.match = 5 + aligner.mismatch = 0 + aligner.open_gap_score = -4 + aligner.extend_gap_score = -0.5 + aln = aligner.align(model_sequence, native_sequence)[0] + return aln + + +def format_alignment(aln): + alignment = {} + try: + alignment["seqA"] = aln[0, :] + alignment["matches"] = "".join( + [ + "|" if aa1 == aa2 else " " if (aa1 == "-" or aa2 == "-") else "." + for aa1, aa2 in zip(aln[0, :], aln[1, :]) + ] + ) + alignment["seqB"] = aln[1, :] + except NotImplementedError: + formatted_aln = aln.format().split("\n") + alignment["seqA"] = formatted_aln[0] + alignment["matches"] = formatted_aln[1] + alignment["seqB"] = formatted_aln[2] + + return alignment + + +@lru_cache +def list_atoms_per_residue(chain, what): + n_atoms_per_residue = [] + + for residue in chain: + # important to remove duplicate atoms (e.g. alternates) at this stage + atom_ids = set([a.id for a in residue.get_unpacked_list()]) + n_atoms_per_residue.append(len(atom_ids)) + return np.array(n_atoms_per_residue).astype(int) + + +@lru_cache +def get_atoms_per_residue( + chains, + what, + atom_types=("CA", "C", "N", "O", "P"), +): + chain1, chain2 = chains + atoms1 = [ + atom.coord + for res1, res2 in zip(chain1, chain2) + for atom in res1.get_atoms() + if atom.id in atom_types and atom.id in [a.id for a in res2.get_atoms()] + ] + + atoms2 = [ + atom.coord + for res1, res2 in zip(chain1, chain2) + for atom in res2.get_atoms() + if atom.id in atom_types and atom.id in [a.id for a in res1.get_atoms()] + ] + return atoms1, atoms2 + + +def get_interacting_pairs(distances, threshold): + interacting_pairs = np.nonzero(np.asarray(distances) < threshold) + return tuple(interacting_pairs[0]), tuple(interacting_pairs[1]) + + +@lru_cache +def get_interface_atoms( + interacting_pairs, + model_chains, + ref_chains, + atom_types=[], +): + ref_interface = [] + mod_interface = [] + + ref_residues_group1 = [res for res in ref_chains[0]] + ref_residues_group2 = [res for res in ref_chains[1]] + + mod_residues_group1 = [res for res in model_chains[0]] + mod_residues_group2 = [res for res in model_chains[1]] + # remove duplicate residues + interface_residues_group1 = set(interacting_pairs[0]) + interface_residues_group2 = set(interacting_pairs[1]) + + for i in interface_residues_group1: + ref_atoms = [atom for atom in ref_residues_group1[i].get_atoms()] + mod_atoms = [atom for atom in mod_residues_group1[i].get_atoms()] + ref_atoms_ids = [atom.id for atom in ref_atoms] + mod_atoms_ids = [atom.id for atom in mod_atoms] + ref_interface += [ + atom.coord + for atom in ref_atoms + if atom.id in atom_types and atom.id in mod_atoms_ids + ] + mod_interface += [ + atom.coord + for atom in mod_atoms + if atom.id in atom_types and atom.id in ref_atoms_ids + ] + + for j in interface_residues_group2: + ref_atoms = [atom for atom in ref_residues_group2[j].get_atoms()] + mod_atoms = [atom for atom in mod_residues_group2[j].get_atoms()] + ref_atoms_ids = [atom.id for atom in ref_atoms] + mod_atoms_ids = [atom.id for atom in mod_atoms] + ref_interface += [ + atom.coord + for atom in ref_atoms + if atom.id in atom_types and atom.id in mod_atoms_ids + ] + mod_interface += [ + atom.coord + for atom in mod_atoms + if atom.id in atom_types and atom.id in ref_atoms_ids + ] + + return np.asarray(mod_interface), np.asarray(ref_interface) + + +@lru_cache +def run_on_chains( + model_chains, + native_chains, + no_align=False, + capri_peptide=False, + low_memory=False, +): + # realign each model chain against the corresponding native chain + alignments = [] + for model_chain, native_chain in zip(model_chains, native_chains): + aln = align_chains( + model_chain, + native_chain, + use_numbering=no_align, + ) + alignment = format_alignment(aln) + alignments.append(tuple(alignment.values())) + + info = calc_DockQ( + model_chains, + native_chains, + alignments=tuple(alignments), + capri_peptide=capri_peptide, + low_memory=low_memory, + ) + return info + + +def run_on_all_native_interfaces( + model_structure, + native_structure, + chain_map={"A": "A", "B": "B"}, + no_align=False, + capri_peptide=False, + low_memory=False, + optDockQF1=False, +): + """Given a native-model chain map, finds all non-null native interfaces + and runs DockQ for each native-model pair of interfaces""" + result_mapping = dict() + native_chain_ids = list(chain_map.keys()) + + for chain_pair in itertools.combinations(native_chain_ids, 2): + native_chains = tuple([native_structure[chain] for chain in chain_pair]) + model_chains = tuple( + [ + model_structure[chain] + for chain in [chain_map[chain_pair[0]], chain_map[chain_pair[1]]] + ] + ) + if len(set(model_chains)) < 2: + continue + if chain_pair[0] in chain_map and chain_pair[1] in chain_map: + info = run_on_chains( + model_chains, + native_chains, + no_align=no_align, + capri_peptide=capri_peptide, + low_memory=low_memory, + ) + if info: + info["chain1"], info["chain2"] = ( + chain_map[chain_pair[0]], + chain_map[chain_pair[1]], + ) + info["chain_map"] = chain_map # diagonstics + result_mapping[chain_pair] = info + total_dockq = sum( + [ + result["DockQ_F1" if optDockQF1 else "DockQ"] + for result in result_mapping.values() + ] + ) + return result_mapping, total_dockq + + +def load_PDB(path, chains=[], n_model=0): + try: + pdb_parser = PDBParser(QUIET=True) + structure = pdb_parser.get_structure( + "-", + (gzip.open if path.endswith(".gz") else open)(path, "rt"), + chains=chains, + ) + model = structure[n_model] + except Exception: + pdb_parser = MMCIFParser(QUIET=True) + structure = pdb_parser.get_structure( + "-", + (gzip.open if path.endswith(".gz") else open)(path, "rt"), + chains=None, + ) + model = structure[n_model] + + return model + + +def group_chains( + query_structure, ref_structure, query_chains, ref_chains, allowed_mismatches=0 +): + reverse_map = False + mismatch_dict = {} # for diagnostics + # this might happen e.g. when modelling only part of a large homomer + if len(query_chains) < len(ref_chains): + query_structure, ref_structure = ref_structure, query_structure + query_chains, ref_chains = ref_chains, query_chains + reverse_map = True + + alignment_targets = itertools.product(query_chains, ref_chains) + chain_clusters = {chain: [] for chain in ref_chains} + + for query_chain, ref_chain in alignment_targets: + aln = align_chains( + query_structure[query_chain], ref_structure[ref_chain], use_numbering=None + ) + alignment = format_alignment(aln) + n_mismatches = alignment["matches"].count(".") + + if n_mismatches > 0 and n_mismatches < 10: + mismatch_dict[(query_chain, ref_chain)] = n_mismatches + + if n_mismatches <= allowed_mismatches: + # 100% sequence identity, 100% coverage of native sequence in model sequence + chain_clusters[ref_chain].append(query_chain) + + chains_without_match = [ + chain for chain in chain_clusters if not chain_clusters[chain] + ] + + if chains_without_match: + print( + f"For these chains {chains_without_match} no match was found between model and native, try increasing the --allowed_mismatches from {allowed_mismatches}" + ) + print(f"Current number of alignments with 1-10 mismatches: {mismatch_dict}") + + return chain_clusters, reverse_map + + +def format_mapping(mapping_str): + mapping = dict() + model_chains = None + native_chains = None + if not mapping_str: + return mapping, model_chains, native_chains + + model_mapping, native_mapping = mapping_str.split(":") + if not native_mapping: + print("When using --mapping, native chains must be set (e.g. ABC:ABC or :ABC)") + sys.exit() + else: + # :ABC or *:ABC only use those natives chains, permute model chains + if not model_mapping or model_mapping == "*": + native_chains = [chain for chain in native_mapping] + elif len(model_mapping) == len(native_mapping): + # ABC*:ABC* fix the first part of the mapping, try all other combinations + mapping = { + nm: mm + for nm, mm in zip(native_mapping, model_mapping) + if nm != "*" and mm != "*" + } + if model_mapping[-1] != "*" and native_mapping[-1] != "*": + # ABC:ABC use the specific mapping + model_chains = [chain for chain in model_mapping] + native_chains = [chain for chain in native_mapping] + return mapping, model_chains, native_chains + + +def format_mapping_string(chain_mapping): + chain1 = "" + chain2 = "" + + # Sorting might change LRMSD since the definition of receptor/ligand for equal length depends on order + mapping = [(b, a) for a, b in chain_mapping.items()] + for ( + model_chain, + native_chain, + ) in mapping: + chain1 += model_chain + chain2 += native_chain + + return f"{chain1}:{chain2}" + + +def product_without_dupl(*args, repeat=1): + pools = [tuple(pool) for pool in args] * repeat + result = [[]] + for pool in pools: + result = [ + x + [y] for x in result for y in pool if y not in x + ] # here we added condition + + for prod in result: + yield tuple(prod) + + +def count_chain_combinations(chain_clusters, reverse_map=False): + if not reverse_map: + clusters = [tuple(li) for li in chain_clusters.values()] + number_of_combinations = np.prod( + [math.factorial(a) for a in Counter(clusters).values()] + ) + else: + number_of_combinations = np.prod([len(c) for c in chain_clusters.values()]) + + return number_of_combinations + + +def count_chain_combinations_from_maps(maps): + return sum(1 for _ in maps) + + +def get_all_chain_maps( + chain_clusters, + initial_mapping, + reverse_map, + model_chains_to_combo, + native_chains_to_combo, +): + all_mappings = product_without_dupl( + *[cluster for cluster in chain_clusters.values() if cluster] + ) + for mapping in all_mappings: + chain_map = {key: value for key, value in initial_mapping.items()} + if reverse_map: + chain_map.update( + { + mapping[i]: model_chain + for i, model_chain in enumerate(model_chains_to_combo) + } + ) + else: + chain_map.update( + { + native_chain: mapping[i] + for i, native_chain in enumerate(native_chains_to_combo) + } + ) + yield (chain_map) + + +def get_chain_map_from_dockq(result): + chain_map = {} + for ch1, ch2 in result: + chain_map[ch1] = result[ch1, ch2]["chain1"] + chain_map[ch2] = result[ch1, ch2]["chain2"] + return chain_map + + +def get_best_mapping(result_mappings, optDockF1=False): + total_dockq = 0 + for result_mapping in result_mappings: + total_dockq = sum( + [ + result["DockQ_F1" if optDockQF1 else "DockQ"] + for result in result_mapping.values() + ] + ) + if total_dockq > best_dockq: + best_dockq = total_dockq + return best_result, best_dockq + + +# @profile +def main(): + args = parse_args() + initial_mapping, model_chains, native_chains = format_mapping(args.mapping) + model_structure = load_PDB(args.model, chains=model_chains) + native_structure = load_PDB(args.native, chains=native_chains) + + # check user-given chains are in the structures + model_chains = [c.id for c in model_structure] if not model_chains else model_chains + native_chains = ( + [c.id for c in native_structure] if not native_chains else native_chains + ) + + if len(model_chains) < 2 or len(native_chains) < 2: + print("Need at least two chains in the two inputs\n") + sys.exit() + + # permute chains and run on a for loop + best_dockq = -1 + best_result = None + best_mapping = None + + model_chains_to_combo = [ + mc for mc in model_chains if mc not in initial_mapping.values() + ] + native_chains_to_combo = [ + nc for nc in native_chains if nc not in initial_mapping.keys() + ] + + chain_clusters, reverse_map = group_chains( + model_structure, + native_structure, + model_chains_to_combo, + native_chains_to_combo, + args.allowed_mismatches, + ) + + chain_maps = get_all_chain_maps( + chain_clusters, + initial_mapping, + reverse_map, + model_chains_to_combo, + native_chains_to_combo, + ) + + num_chain_combinations = count_chain_combinations( + chain_clusters, reverse_map=reverse_map + ) + + # copy iterator to use later + chain_maps, chain_maps_ = itertools.tee(chain_maps) + + low_memory = num_chain_combinations > 100 + run_chain_map = partial( + run_on_all_native_interfaces, + model_structure, + native_structure, + no_align=args.no_align, + capri_peptide=args.capri_peptide, + low_memory=low_memory, + ) + + if num_chain_combinations > 1: + cpus = min(num_chain_combinations, args.n_cpu) + chunk_size = min(args.max_chunk, max(1, num_chain_combinations // cpus)) + + # for large num_chain_combinations it should be possible to divide the chain_maps in chunks + result_this_mappings = progress_map( + run_chain_map, + chain_maps, + total=num_chain_combinations, + n_cpu=cpus, + chunk_size=chunk_size, + ) + + for chain_map, (result_this_mapping, total_dockq) in zip( + chain_maps_, result_this_mappings + ): + + if total_dockq > best_dockq: + best_dockq = total_dockq + best_result = result_this_mapping + best_mapping = chain_map + + if low_memory: # retrieve the full output by rerunning the best chain mapping + best_result, total_dockq = run_on_all_native_interfaces( + model_structure, + native_structure, + best_mapping, + args.no_align, + args.capri_peptide, + low_memory=False, + ) + + else: # skip multi-threading for single jobs (skip the bar basically) + best_mapping = next(chain_maps) + best_result, best_dockq = run_chain_map(best_mapping) + + info = dict() + info["model"] = args.model + info["native"] = args.native + info["best_dockq"] = best_dockq + info["best_result"] = best_result + info["GlobalDockQ"] = best_dockq / len(best_result) + info["best_mapping"] = best_mapping + info["best_mapping_str"] = f"{format_mapping_string(best_mapping)}" + print_results(info, args.short, args.verbose, args.capri_peptide) + + +def print_results(info, short=False, verbose=False, capri_peptide=False): + if short: + capri_peptide_str = "-capri_peptide" if capri_peptide else "" + print( + f"Total DockQ over {len(info['best_result'])} native interfaces: {info['GlobalDockQ']:.3f} with {info['best_mapping_str']} model:native mapping" + ) + for chains, results in info["best_result"].items(): + print( + f"DockQ{capri_peptide_str} {results['DockQ']:.3f} DockQ_F1 {results['DockQ_F1']:.3f} Fnat {results['fnat']:.3f} iRMS {results['irms']:.3f} LRMS {results['Lrms']:.3f} Fnonnat {results['fnonnat']:.3f} clashes {results['clashes']} mapping {results['chain1']}{results['chain2']}:{chains[0]}{chains[1]} {info['model']} {results['chain1']} {results['chain2']} -> {info['native']} {chains[0]} {chains[1]}" + ) + else: + print_header(verbose, capri_peptide) + print(f"Model : {info['model']}") + print(f"Native : {info['native']}") + print( + f"Total DockQ over {len(info['best_result'])} native interfaces: {info['best_dockq']:.3f}" + ) + items = ["DockQ_F1", "DockQ", "irms", "Lrms", "fnat"] + + for chains, results in info["best_result"].items(): + print(f"Native chains: {chains[0]}, {chains[1]}") + print(f"\tModel chains: {results['chain1']}, {results['chain2']}") + print("\n".join([f"\t{item}: {results[item]:.3f}" for item in items])) + + +def print_header(verbose=False, capri_peptide=False): + reference = ( + "* Ref: S. Basu and B. Wallner, DockQ: A quality measure for *\n" + "* protein-protein docking models *\n" + "* doi:10.1371/journal.pone.0161879 *\n" + "* For comments, please email: bjorn.wallner@.liu.se *" + ) + if not capri_peptide: + header = ( + "****************************************************************\n" + "* DockQ *\n" + "* Scoring function for protein-protein docking models *\n" + "* Statistics on CAPRI data: *\n" + "* 0.00 <= DockQ < 0.23 - Incorrect *\n" + "* 0.23 <= DockQ < 0.49 - Acceptable quality *\n" + "* 0.49 <= DockQ < 0.80 - Medium quality *\n" + "* DockQ >= 0.80 - High quality *" + ) + else: + header = ( + "****************************************************************\n" + "* DockQ-CAPRI peptide *\n" + "* Do not trust any thing you read.... *\n" + "* OBS THE DEFINITION OF Fnat and iRMS are different for *\n" + "* peptides in CAPRI *\n" + "* *" + ) + + if verbose: + notice = ( + "* For the record: *\n" + f"* Definition of contact <{'5A' if not capri_peptide else '4A'} (Fnat) *\n" + f"* Definition of interface <{'10A all heavy atoms (iRMS) ' if not capri_peptide else '8A CB (iRMS) '} *\n" + "****************************************************************" + ) + else: + notice = "****************************************************************" + + print(header) + print(reference) + print(notice) + + +if __name__ == "__main__": + main() diff --git a/scripts/.renum b/src/DockQ/__init__.py similarity index 100% rename from scripts/.renum rename to src/DockQ/__init__.py diff --git a/src/DockQ/__main__.py b/src/DockQ/__main__.py new file mode 100644 index 0000000..3077441 --- /dev/null +++ b/src/DockQ/__main__.py @@ -0,0 +1,4 @@ +from .DockQ import main + +if __name__ == "__main__": + main() diff --git a/src/DockQ/operations.pyx b/src/DockQ/operations.pyx new file mode 100644 index 0000000..7ac0fcd --- /dev/null +++ b/src/DockQ/operations.pyx @@ -0,0 +1,70 @@ +#cython: language_level=3 +import numpy as np +cimport numpy as np +import cython + +@cython.boundscheck(False) +@cython.wraparound(False) +def residue_distances(float [:,:] atom_coordinates1, float [:,:] atom_coordinates2, long [:] atoms_per_res1, long [:] atoms_per_res2): + cdef: + int i, j, x, y, i_atoms, j_atoms, cum_i_atoms, cum_j_atoms, cum_i_atoms_end, cum_j_atoms_end + int n_res_i = atoms_per_res1.shape[0] + int n_res_j = atoms_per_res2.shape[0] + float this_d, min_d + float [:,:] res_distances = np.zeros((n_res_i, n_res_j), dtype=np.float32) + + cum_i_atoms = 0 + for i in range(n_res_i): + i_atoms = atoms_per_res1[i] + cum_i_atoms_end = cum_i_atoms + i_atoms + cum_j_atoms = 0 + for j in range(n_res_j): + j_atoms = atoms_per_res2[j] + min_d = 100000.0 + cum_j_atoms_end = cum_j_atoms + j_atoms + for x in range(cum_i_atoms, cum_i_atoms_end): + for y in range(cum_j_atoms, cum_j_atoms_end): + this_d = (atom_coordinates1[x][0] - atom_coordinates2[y][0])**2 + (atom_coordinates1[x][1] - atom_coordinates2[y][1])**2 + (atom_coordinates1[x][2] - atom_coordinates2[y][2])**2 + if this_d < min_d: + min_d = this_d + if min_d > 400.0: + break + if min_d > 400.0: + break + res_distances[i, j] = min_d + cum_j_atoms = cum_j_atoms + j_atoms + cum_i_atoms = cum_i_atoms + i_atoms + + return res_distances + +@cython.boundscheck(False) +@cython.wraparound(False) +def get_fnat_stats(float [:,:] model_res_distances, float [:,:] native_res_distances, float threshold=5.0): + cdef: + int native_shape_0 = native_res_distances.shape[0] + int native_shape_1 = native_res_distances.shape[1] + int i, j + int n_native_contacts = 0 + int n_model_contacts = 0 + int n_shared_contacts = 0 + int n_non_native_contacts = 0 + float threshold_squared + + threshold_squared = threshold * threshold + for i in range(native_shape_0): + for j in range(native_shape_1): + if native_res_distances[i, j] < threshold_squared: + n_native_contacts += 1 + if model_res_distances[i, j] < threshold_squared: + n_shared_contacts += 1 + if model_res_distances[i, j] < threshold_squared: + n_model_contacts += 1 + if native_res_distances[i, j] >= threshold_squared: + n_non_native_contacts += 1 + + return ( + n_shared_contacts, + n_non_native_contacts, + n_native_contacts, + n_model_contacts, + ) diff --git a/src/DockQ/operations_nocy.py b/src/DockQ/operations_nocy.py new file mode 100644 index 0000000..079964f --- /dev/null +++ b/src/DockQ/operations_nocy.py @@ -0,0 +1,49 @@ +import numpy as np + + +def get_distances_across_chains(model_A_atoms, model_B_atoms): + + distances = ((model_A_atoms[:, None] - model_B_atoms[None, :]) ** 2).sum(-1) + + return distances + + +def atom_distances_to_residue_distances(atom_distances, atoms_per_res1, atoms_per_res2): + res_distances = np.zeros((len(atoms_per_res1), len(atoms_per_res2))) + + cum_i_atoms = 0 + for i, i_atoms in enumerate(atoms_per_res1): + cum_j_atoms = 0 + for j, j_atoms in enumerate(atoms_per_res2): + res_distances[i, j] = atom_distances[ + cum_i_atoms : cum_i_atoms + i_atoms, cum_j_atoms : cum_j_atoms + j_atoms + ].min() + cum_j_atoms += j_atoms + cum_i_atoms += i_atoms + return res_distances + + +def residue_distances( + atom_coordinates1, atom_coordinates2, atoms_per_res1, atoms_per_res2 +): + atom_distances = get_distances_across_chains(atom_coordinates1, atom_coordinates2) + res_distances = atom_distances_to_residue_distances( + atom_distances, atoms_per_res1, atoms_per_res2 + ) + + return res_distances + + +def get_fnat_stats(model_res_distances, native_res_distances, threshold=5.0): + native_contacts = native_res_distances < threshold ** 2 + model_contacts = model_res_distances < threshold ** 2 + n_native_contacts = np.sum(native_contacts) + n_model_contacts = np.sum(model_contacts) + n_shared_contacts = np.sum(model_contacts * native_contacts) + n_non_native_contacts = np.sum(model_contacts * (1 - native_contacts)) + return ( + n_shared_contacts, + n_non_native_contacts, + n_native_contacts, + n_model_contacts, + ) diff --git a/src/DockQ/parsers.py b/src/DockQ/parsers.py new file mode 100644 index 0000000..e522469 --- /dev/null +++ b/src/DockQ/parsers.py @@ -0,0 +1,438 @@ +import warnings +import numpy as np +import Bio +from Bio.PDB.MMCIF2Dict import MMCIF2Dict +from Bio.PDB.StructureBuilder import StructureBuilder +from Bio.PDB.PDBExceptions import PDBConstructionWarning +from Bio.PDB.PDBParser import as_handle + + +class MMCIFParser(Bio.PDB.MMCIFParser): + def get_structure(self, structure_id, filename, chains=[]): + """Return the structure. + + Arguments: + - structure_id - string, the id that will be used for the structure + - filename - name of mmCIF file, OR an open text mode file handle + + """ + self.auth_chains = True + self.auth_residues = True + with warnings.catch_warnings(): + if self.QUIET: + warnings.filterwarnings("ignore", category=PDBConstructionWarning) + self._mmcif_dict = MMCIF2Dict(filename) + self._build_structure(structure_id, chains) + self._structure_builder.set_header(self._get_header()) + + return self._structure_builder.get_structure() + + def _build_structure(self, structure_id, chains): + # two special chars as placeholders in the mmCIF format + # for item values that cannot be explicitly assigned + # see: pdbx/mmcif syntax web page + _unassigned = {".", "?"} + + mmcif_dict = self._mmcif_dict + + atom_serial_list = mmcif_dict["_atom_site.id"] + atom_id_list = mmcif_dict["_atom_site.label_atom_id"] + residue_id_list = mmcif_dict["_atom_site.label_comp_id"] + try: + element_list = mmcif_dict["_atom_site.type_symbol"] + except KeyError: + element_list = None + if self.auth_chains: + chain_id_list = mmcif_dict["_atom_site.auth_asym_id"] + else: + chain_id_list = mmcif_dict["_atom_site.label_asym_id"] + x_list = [float(x) for x in mmcif_dict["_atom_site.Cartn_x"]] + y_list = [float(x) for x in mmcif_dict["_atom_site.Cartn_y"]] + z_list = [float(x) for x in mmcif_dict["_atom_site.Cartn_z"]] + alt_list = mmcif_dict["_atom_site.label_alt_id"] + icode_list = mmcif_dict["_atom_site.pdbx_PDB_ins_code"] + b_factor_list = mmcif_dict["_atom_site.B_iso_or_equiv"] + occupancy_list = mmcif_dict["_atom_site.occupancy"] + fieldname_list = mmcif_dict["_atom_site.group_PDB"] + try: + serial_list = [int(n) for n in mmcif_dict["_atom_site.pdbx_PDB_model_num"]] + except KeyError: + # No model number column + serial_list = None + except ValueError: + # Invalid model number (malformed file) + raise PDBConstructionException("Invalid model number") from None + try: + aniso_u11 = mmcif_dict["_atom_site_anisotrop.U[1][1]"] + aniso_u12 = mmcif_dict["_atom_site_anisotrop.U[1][2]"] + aniso_u13 = mmcif_dict["_atom_site_anisotrop.U[1][3]"] + aniso_u22 = mmcif_dict["_atom_site_anisotrop.U[2][2]"] + aniso_u23 = mmcif_dict["_atom_site_anisotrop.U[2][3]"] + aniso_u33 = mmcif_dict["_atom_site_anisotrop.U[3][3]"] + aniso_flag = 1 + except KeyError: + # no anisotropic B factors + aniso_flag = 0 + + if self.auth_residues: + # if auth_seq_id is present, we use this. + # Otherwise label_seq_id is used. + if "_atom_site.auth_seq_id" in mmcif_dict: + seq_id_list = mmcif_dict["_atom_site.auth_seq_id"] + else: + seq_id_list = mmcif_dict["_atom_site.label_seq_id"] + else: + seq_id_list = mmcif_dict["_atom_site.label_seq_id"] + # Now loop over atoms and build the structure + current_chain_id = None + current_residue_id = None + current_resname = None + structure_builder = self._structure_builder + structure_builder.init_structure(structure_id) + structure_builder.init_seg(" ") + # Historically, Biopython PDB parser uses model_id to mean array index + # so serial_id means the Model ID specified in the file + current_model_id = -1 + current_serial_id = -1 + for i in range(len(atom_id_list)): + chainid = chain_id_list[i] + if chains and chainid not in chains: + continue + fieldname = fieldname_list[i] + if fieldname == "HETATM": + continue + element = element_list[i].upper() if element_list else None + if element == "H": + continue + # set the line_counter for 'ATOM' lines only and not + # as a global line counter found in the PDBParser() + structure_builder.set_line_counter(i) + + # Try coercing serial to int, for compatibility with PDBParser + # But do not quit if it fails. mmCIF format specs allow strings. + try: + serial = int(atom_serial_list[i]) + except ValueError: + serial = atom_serial_list[i] + warnings.warn( + "PDBConstructionWarning: Some atom serial numbers are not numerical", + PDBConstructionWarning, + ) + + x = x_list[i] + y = y_list[i] + z = z_list[i] + resname = residue_id_list[i] + + altloc = alt_list[i] + if altloc in _unassigned: + altloc = " " + resseq = seq_id_list[i] + if resseq == ".": + # Non-existing residue ID + try: + msg_resseq = mmcif_dict["_atom_site.auth_seq_id"][i] + msg = f"Non-existing residue ID in chain '{chainid}', residue '{msg_resseq}'" + except (KeyError, IndexError): + msg = f"Non-existing residue ID in chain '{chainid}'" + warnings.warn( + "PDBConstructionWarning: " + msg, + PDBConstructionWarning, + ) + continue + int_resseq = int(resseq) + icode = icode_list[i] + if icode in _unassigned: + icode = " " + name = atom_id_list[i] + # occupancy & B factor + try: + tempfactor = float(b_factor_list[i]) + except ValueError: + raise PDBConstructionException("Invalid or missing B factor") from None + try: + occupancy = float(occupancy_list[i]) + except ValueError: + raise PDBConstructionException("Invalid or missing occupancy") from None + hetatm_flag = " " + + resseq = (hetatm_flag, int_resseq, icode) + + if serial_list is not None: + # model column exists; use it + serial_id = serial_list[i] + if current_serial_id != serial_id: + # if serial changes, update it and start new model + current_serial_id = serial_id + current_model_id += 1 + structure_builder.init_model(current_model_id, current_serial_id) + current_chain_id = None + current_residue_id = None + current_resname = None + else: + # no explicit model column; initialize single model + structure_builder.init_model(current_model_id) + + if current_chain_id != chainid: + current_chain_id = chainid + structure_builder.init_chain(current_chain_id) + current_residue_id = None + current_resname = None + + if current_residue_id != resseq or current_resname != resname: + current_residue_id = resseq + current_resname = resname + structure_builder.init_residue(resname, hetatm_flag, int_resseq, icode) + + coord = np.array((x, y, z), "f") + + structure_builder.init_atom( + name, + coord, + tempfactor, + occupancy, + altloc, + name, + serial_number=serial, + element=element, + ) + if aniso_flag == 1 and i < len(aniso_u11): + u = ( + aniso_u11[i], + aniso_u12[i], + aniso_u13[i], + aniso_u22[i], + aniso_u23[i], + aniso_u33[i], + ) + mapped_anisou = [float(_) for _ in u] + anisou_array = np.array(mapped_anisou, "f") + structure_builder.set_anisou(anisou_array) + # Now try to set the cell + try: + a = float(mmcif_dict["_cell.length_a"][0]) + b = float(mmcif_dict["_cell.length_b"][0]) + c = float(mmcif_dict["_cell.length_c"][0]) + alpha = float(mmcif_dict["_cell.angle_alpha"][0]) + beta = float(mmcif_dict["_cell.angle_beta"][0]) + gamma = float(mmcif_dict["_cell.angle_gamma"][0]) + cell = np.array((a, b, c, alpha, beta, gamma), "f") + spacegroup = mmcif_dict["_symmetry.space_group_name_H-M"][0] + spacegroup = spacegroup[1:-1] # get rid of quotes!! + if spacegroup is None: + raise Exception + structure_builder.set_symmetry(spacegroup, cell) + except Exception: + pass # no cell found, so just ignore + + +class PDBParser(Bio.PDB.PDBParser): + def get_structure(self, id, file, chains): + """Return the structure. + + Arguments: + - id - string, the id that will be used for the structure + - file - name of the PDB file OR an open filehandle + + """ + with warnings.catch_warnings(): + if self.QUIET: + warnings.filterwarnings("ignore", category=PDBConstructionWarning) + + self.header = None + self.trailer = None + # Make a StructureBuilder instance (pass id of structure as parameter) + self.structure_builder.init_structure(id) + + with as_handle(file) as handle: + lines = handle.readlines() + if not lines: + raise ValueError("Empty file.") + self._parse(lines, chains) + + self.structure_builder.set_header(self.header) + # Return the Structure instance + structure = self.structure_builder.get_structure() + + return structure + + def _parse(self, header_coords_trailer, chains): + """Parse the PDB file (PRIVATE).""" + # Extract the header; return the rest of the file + self.header, coords_trailer = self._get_header(header_coords_trailer) + # Parse the atomic data; return the PDB file trailer + self.trailer = self._parse_coordinates(coords_trailer, chains) + + def _parse_coordinates(self, coords_trailer, chains=[]): + """Parse the atomic data in the PDB file (PRIVATE).""" + allowed_records = { + "ATOM ", + "HETATM", + "MODEL ", + "ENDMDL", + "TER ", + } + local_line_counter = 0 + structure_builder = self.structure_builder + current_model_id = 0 + # Flag we have an open model + model_open = 0 + current_chain_id = None + current_segid = None + current_residue_id = None + current_resname = None + + for i in range(len(coords_trailer)): + line = coords_trailer[i].rstrip("\n") + record_type = line[0:6] + global_line_counter = self.line_counter + local_line_counter + 1 + structure_builder.set_line_counter(global_line_counter) + if not line.strip(): + continue # skip empty lines + elif record_type == "HETATM": + continue + elif record_type == "ATOM ": + # Initialize the Model - there was no explicit MODEL record + if not model_open: + structure_builder.init_model(current_model_id) + current_model_id += 1 + model_open = 1 + chainid = line[21] + if chains and chainid not in chains: + continue + element = line[76:78].strip().upper() + if element == "H": + continue + fullname = line[12:16] + # get rid of whitespace in atom names + split_list = fullname.split() + if len(split_list) != 1: + # atom name has internal spaces, e.g. " N B ", so + # we do not strip spaces + name = fullname + else: + # atom name is like " CA ", so we can strip spaces + name = split_list[0] + altloc = line[16] + resname = line[17:20].strip() + try: + serial_number = int(line[6:11]) + except Exception: + serial_number = 0 + resseq = int(line[22:26].split()[0]) # sequence identifier + icode = line[26] # insertion code + hetero_flag = " " + residue_id = (hetero_flag, resseq, icode) + # atomic coordinates + try: + x = float(line[30:38]) + y = float(line[38:46]) + z = float(line[46:54]) + except Exception: + # Should we allow parsing to continue in permissive mode? + # If so, what coordinates should we default to? Easier to abort! + raise PDBConstructionException( + "Invalid or missing coordinate(s) at line %i." + % global_line_counter + ) from None + coord = np.array((x, y, z), "f") + + try: + occupancy = float(line[54:60]) + except Exception: + self._handle_PDB_exception( + "Invalid or missing occupancy", global_line_counter + ) + occupancy = None # Rather than arbitrary zero or one + if occupancy is not None and occupancy < 0: + # TODO - Should this be an error in strict mode? + # self._handle_PDB_exception("Negative occupancy", + # global_line_counter) + # This uses fixed text so the warning occurs once only: + warnings.warn( + "Negative occupancy in one or more atoms", + PDBConstructionWarning, + ) + try: + bfactor = float(line[60:66]) + except Exception: + self._handle_PDB_exception( + "Invalid or missing B factor", global_line_counter + ) + bfactor = 0.0 # PDB uses a default of zero if missing + + segid = line[72:76] + if current_segid != segid: + current_segid = segid + structure_builder.init_seg(current_segid) + if current_chain_id != chainid: + current_chain_id = chainid + structure_builder.init_chain(current_chain_id) + current_residue_id = residue_id + current_resname = resname + try: + structure_builder.init_residue( + resname, hetero_flag, resseq, icode + ) + except PDBConstructionException as message: + self._handle_PDB_exception(message, global_line_counter) + elif current_residue_id != residue_id or current_resname != resname: + current_residue_id = residue_id + current_resname = resname + try: + structure_builder.init_residue( + resname, hetero_flag, resseq, icode + ) + except PDBConstructionException as message: + self._handle_PDB_exception(message, global_line_counter) + + # init atom with pdb fields + try: + structure_builder.init_atom( + name, + coord, + bfactor, + occupancy, + altloc, + fullname, + serial_number, + element, + ) + except PDBConstructionException as message: + self._handle_PDB_exception(message, global_line_counter) + elif record_type == "ANISOU": + continue + elif record_type == "MODEL ": + try: + serial_num = int(line[10:14]) + except Exception: + self._handle_PDB_exception( + "Invalid or missing model serial number", global_line_counter + ) + serial_num = 0 + structure_builder.init_model(current_model_id, serial_num) + current_model_id += 1 + model_open = 1 + current_chain_id = None + current_residue_id = None + elif record_type == "END " or record_type == "CONECT": + # End of atomic data, return the trailer + self.line_counter += local_line_counter + return coords_trailer[local_line_counter:] + elif record_type == "ENDMDL": + model_open = 0 + current_chain_id = None + current_residue_id = None + elif record_type == "SIGUIJ": + continue + elif record_type == "SIGATM": + continue + elif record_type not in allowed_records: + warnings.warn( + f"Ignoring unrecognized record '{record_type}' at line {global_line_counter}", + PDBConstructionWarning, + ) + local_line_counter += 1 + # EOF (does not end in END or CONECT) + self.line_counter = self.line_counter + local_line_counter + return [] diff --git a/src/fnat.c b/src/fnat.c deleted file mode 100644 index cc8b442..0000000 --- a/src/fnat.c +++ /dev/null @@ -1,261 +0,0 @@ -#include -#include -#include -#include -#include "molecule.h" - -// -// Any comments and suggestion may be sent to: -// Author: Björn Wallner -// E-mail: bjorn.wallner@liu.se -// -// - - - -int main(int argc,char *argv[]) /* Main routine */ -{ - molecule m[1]; - molecule model[1]; - int i,j,k; - double d; - double mean=0; - int atoms=0; - int residues=0,residues2=0; - // int contacts[MAXRES][MAXRES]={{}}; - /* int **contacts,**contacts2; - double **dist,**dist2;*/ - - // int res_contacts[20][20]={{}}; - // int restype[20]={}; - // int tot_res_contacts=0; - /// int type_i,type_j; - int current_res_i=0; - int current_res_j=0; - long selected_resnum; - int first=0; - double cutoff=0; - FILE *fp; - int error=0,error2=0; - double temp; - int tmp=0; - int binary=1; - char chain_name; - int nativeA[5000]; - int nativeB[5000]; - int modelA[5000]; - int modelB[5000]; - char chainA,chainB,chainA2,chainB2; - int interface_contacts=0; - int interface_contacts_model=0; - int verbose=0; - char set='a'; - char set_switch[100]; - char arg[100]; - //float sum=0; - /* Parse command line for PDB filename */ - - if(argc>=4) - { - strcpy(model[0].filename,argv[1]); - strcpy(m[0].filename,argv[2]); - cutoff=strtod(argv[3],NULL); - cutoff=cutoff*cutoff; - for(i=4; i5) - // verbose=1; - } - else - { - printf("Usage: fnat [pdb_file] [native] cutoff [set default all-atom] [verbose (default off)]]\n"); - exit(1); - } - - - error=read_molecules(m,set); - - if(error==0) - { - residues=m[0].residues; - /* - contacts = malloc(residues*sizeof(int *)); - dist = malloc(residues*sizeof(double *)); - for(i=0;i5 && - if(strcmp(m[0].atm[j].chain,m[0].atm[i].chain)!=0) { - // printf("HEJ %d %d %d %d %f %f\n",current_res_j,current_res_i,i,j,crd(m,i,j),crd(m,j,i)); - d=crd(m,i,j); - // printf("%d %d %d %d %s %s %f\n",m[0].atm[j].resnum,m[0].atm[i].resnum,i,j,m[0].atm[j].chain,m[0].atm[i].chain,d); - if(verbose) - printf("ALLNATIVE: %d%s %d%s %f %d %d\n",m[0].atm[i].resnum,m[0].atm[i].chain,m[0].atm[j].resnum,m[0].atm[j].chain,sqrt(d),current_res_i,current_res_j); //,contacts[current_res_i][current_res_j]); - chainA=m[0].atm[i].chain[0]; - chainB=m[0].atm[j].chain[0]; - if(/*contacts[current_res_i][current_res_j]==0 && */crd(m,i,j)<=cutoff) - { - nativeA[interface_contacts]=m[0].atm[i].resnum; - nativeB[interface_contacts]=m[0].atm[j].resnum; - interface_contacts++; - - d=crd(m,i,j); - printf("NATIVE: %d%s %d%s %f\n",m[0].atm[i].resnum,m[0].atm[i].chain,m[0].atm[j].resnum,m[0].atm[j].chain,sqrt(d)); - - /*contacts[current_res_i][current_res_j]=1; - contacts[current_res_j][current_res_i]=1;*/ - - //res_contacts[get_res(m[0].atm[i].residue)][get_res(m[0].atm[j].residue)]++; - //tot_res_contacts++; - } - /*dist[current_res_i][current_res_j]=d; - dist[current_res_j][current_res_i]=d;*/ - } - current_res_j++; - } - } - current_res_i++; - } - } - //chain_name=m[0].atm[m[0].CA_ref[i]].chain[0]; - } - - - error2=read_molecules(model,set); - if(error2==0) - { - - residues2=model[0].residues; - /* - contacts2 = malloc(residues2*sizeof(int *)); - for(i=0;i5 && - if(strcmp(model[0].atm[j].chain,model[0].atm[i].chain)!=0) { - - //printf("HEJ %d %d %d %d %f %f\n",current_res_j,current_res_i,i,j,crd(m,i,j),crd(m,j,i)); - //d=crd(m,i,j); - //printf("%d %d %d %d %s %s %f\n",model[0].atm[j].resnum,model[0].atm[i].resnum,i,j,model[0].atm[j].chain,model[0].atm[i].chain,d); - //d=crd(model,i,j); - //printf("ALLMODEL: %d%s %d%s %f %d %d\n",model[0].atm[i].resnum,model[0].atm[i].chain,model[0].atm[j].resnum,model[0].atm[j].chain,sqrt(d),current_res_i,current_res_j); - - chainA2=model[0].atm[i].chain[0]; - chainB2=model[0].atm[j].chain[0]; - if(/*contacts2[current_res_i][current_res_j]==0 &&*/ crd(model,i,j)<=cutoff) - { - //printf("%d %d %d %d %d %d %d\n", residues2,model[0].atm[i].resnum,model[0].atm[j].resnum,model[0].atm[i].rescount,model[0].atm[j].rescount,current_res_i,current_res_j); - modelA[interface_contacts_model]=model[0].atm[i].resnum; - modelB[interface_contacts_model]=model[0].atm[j].resnum; - interface_contacts_model++; - - if(verbose) { - d=crd(model,i,j); - printf("MODEL: %d%s %d%s %f %d %d\n",model[0].atm[i].resnum,model[0].atm[i].chain,model[0].atm[j].resnum,model[0].atm[j].chain,sqrt(d),current_res_i,current_res_j); - } - /*contacts2[current_res_i][current_res_j]=1; - contacts2[current_res_j][current_res_i]=1;*/ - //res_contacts[get_res(model[0].atm[i].residue)][get_res(model[0].atm[j].residue)]++; - //tot_res_contacts++; - } - } - current_res_j++; - } - } - current_res_i++; - } - } - //chain_name=model[0].atm[model[0].CA_ref[i]].chain[0]; - } - - int matches=0; - if(chainA!= chainA2 || chainB != chainB2) { - fprintf(stderr,"chain mismatch %c %c %c %c",chainA,chainA2,chainB,chainB2); - } else { - - - // find matches in nativeA-nativeB modelA-modelB - for(i=0;i -#include -#include -#include -#include "molecule.h" -//#include "nr.h" -//#include "nrutil.h" -//#include "nets.h" - - -/* changed input to (molecule *m,char atomflag) - atomflag == a -> read all atoms (except H) - atomflag == c -> CA atoms - atomflag == b -> backbone CA,C,N,O atoms -*/ - -int read_molecules(molecule *m,char atomflag) /* Reads in molecules to be superimposed */ -{ - int i,j,k,atoms,residues; /* Counter variables */ - char buff[1200]; /* Input string */ - char temp[1000]; /* Throwaway string */ - char line_flag[11]; /* PDB file line mode */ - char desc_flag[20]; - char residue[4]; /* PDB atom info for output */ - char name[4]; - int resnum; - char resname[9]; - char old_resname[9]="noname"; - char alt_loc_check[2]=" "; - char x_temp[11]; - char y_temp[11]; - char z_temp[11]; - //char number[8]; - int number; - char chain[2]; - char inscode[2]=" "; - char alt_loc[2]=" "; - double x,y,z; /* Temporary coordinates values */ - FILE *fp; - double bfactor=9.99; - char temp_number[11]; - char temp_resnum[11]; - char temp_bfactor[11]; - int ss_flag=0; - - i=0; /* It is only one molecule to be read this was done for the moment instead of changing all "i" to 0 */ - - - //for (i=0;i<2;i++) - //{ - //#ifdef NOZLIB*/ - //fp=fopen(m[i].filename,"r"); /* Does file exist? */ - //#else - //fp=gzopen(m[i].filename,"r"); /* Does file exist? */ - //#endif - //printf("%s\n",m[0].filename); - strcpy(m[0].method,"undef"); - m[0].rank=-1; - m[0].score=-9999; - - fp=fopen(m[0].filename,"r"); /* Does file exist? */ - if (fp!=NULL) /* If yes, read in coordinates */ - { - /* Initialize things */ - //m[0].xcen=m[0].ycen=m[0].zcen=0; - atoms=0; - residues=0; - //#ifdef NOZLIB - //while(fgets(buff,255,fp)!=NULL) - //#else - //while(gzgets(fp,buff,255)!=NULL) - //#endif - while(fgets(buff,1000,fp)!=NULL) - { - //sscanf(buff,"%-6s %4d %-3s%1s%3s %1s%5s %7.3lf %7.3lf %7.3lf",line_flag,&number,name,residue,chain,&resnum,inscode,&x,&y,&z); - //sscanf(buff,"%s %d %s %s %s",line_flag,&number,name,residue,resname); - strcpy(line_flag,"undef"); - sscanf(buff,"%s",line_flag); - //printf("%s %s %s",m[0].filename,line_flag,&buff); - if(strcmp("REMARK",line_flag)==0) - { - sscanf(buff,"%s %s %s",line_flag,desc_flag,temp); - if(strcmp("SS",desc_flag)==0) - { - strcpy(m[0].ss,temp); - ss_flag=1; - //printf("%s\n",m[0].ss); - } - if(strcmp("METHOD",desc_flag)==0) - { - strcpy(m[0].method,temp); - //printf("%s\n",m[0].method); - } - if(strcmp("SCORE",desc_flag)==0) - { - m[0].score=atof(temp); - //strcpy(m[0].method,temp); - //printf("%lf\n",m[0].score); - } - } - if(strcmp("MODEL",line_flag)==0) - { - sscanf(buff,"%s %s",line_flag,temp); - m[0].rank=atoi(temp); - } - - //ATOM 5307 3HD1 ILE 340 -27.009 -9.984 11.751 1.00 0.00 - if(strcmp("ATOM",line_flag)==0 && buff[12] != 'H' && buff[13] != 'H') /* Is it an ATOM entry? */ - { - //printf("Heja: %s %s",m[0].filename,&buff); - strncpy_NULL(temp_number,&buff[6],5); - strncpy_NULL(name,&buff[13],3); - strncpy_NULL(residue,&buff[17],3); - if(atomflag == 'a' || - (atomflag == 'c' && strcmp("CB ",name) == 0) || - (atomflag == 'c' && strcmp("GLY",residue) == 0 && strcmp("CA ",name) == 0) || - (atomflag == 'b' && (strcmp("CA ",name) == 0 || strcmp("C ",name) == 0 || strcmp("O ",name) == 0 || strcmp("N ",name) ==0))) - { - //printf("%s",buff); - // printf("%s %c %c %c %s\n",name,buff[12],buff[13],buff[24],buff); - strncpy_NULL(alt_loc,&buff[16],1); - strncpy_NULL(chain,&buff[21],1); - strncpy_NULL(temp_resnum,&buff[22],4); - strncpy_NULL(resname,&buff[22],5); - strncpy_NULL(x_temp,&buff[30],8); - strncpy_NULL(y_temp,&buff[38],8); - strncpy_NULL(z_temp,&buff[46],8); - - number=atoi(temp_number); - resnum=atoi(temp_resnum); - if(strlen(buff)>=66) - { - - strncpy_NULL(temp_bfactor,&buff[60],6); - bfactor=atof(temp_bfactor); - // printf("%lf\n",bfactor); - } - - x=atof(x_temp); - y=atof(y_temp); - z=atof(z_temp); - //printf("test: %s %d %s %s %s %s %d %s %lf %lf %lf\n",line_flag,number,name,alt_loc,residue,chain,resnum,resname,x,y,z); - // printf("test: %s %d %s %s %s %s %d %s %lf %lf %lf\n",line_flag,number,name,alt_loc,residue,chain,resnum,resname,x,y,z); - //if (strcmp("N",name)==0) /* Is it an N atom => new residue? */ - //printf("%s %s\n",old_resname,resname); - if(strcmp(old_resname,resname)!=0) - { - m[0].sequence[residues]=aa321(residue); - residues++; - strcpy(alt_loc_check,alt_loc); - //printf("%s %s\n",resname,residue); - } - //sscanf(&buff[22],"%d %lf %lf %lf",&resnum,&x,&y,&z); - //printf("test %d %s %s %d %lf %lf %lf\n",number,name,residue,resnum,x,y,z); - if(strcmp(alt_loc_check,alt_loc)==0) - { - m[0].atm[atoms].x=x; - m[0].atm[atoms].y=y; - m[0].atm[atoms].z=z; - m[0].atm[atoms].bfactor=bfactor; - m[0].atm[atoms].resnum=resnum; - m[0].atm[atoms].number=number; //atoi(number); - m[0].atm[atoms].rescount=residues; - m[0].atm[atoms].selected=TRUE; - m[0].atm[atoms].deleted=FALSE; - strcpy(m[0].atm[atoms].name,name); - strcpy(m[0].atm[atoms].residue,residue); - strcpy(m[0].atm[atoms].resname,resname); - strcpy(m[0].atm[atoms].chain,chain); - - if(strcmp("CA ",name) == 0) - { - //printf("%s %s %s %s %d\n",m[0].filename,resname,residue,alt_loc,residues); - m[0].CA_ref[residues-1]=atoms; - } - //if(strcmp(old_resname,resname)!=0) - // { - // m[0].sequence[residues-1]=aa321(residue); - // } - - m[0].xcen+=x; - m[0].ycen+=y; - m[0].zcen+=z; - atoms++; - strcpy(old_resname,resname); - } - } - } - } - m[0].sequence[residues]='\0'; - m[0].atoms=atoms; - m[0].residues=residues; - m[0].xcen=m[0].xcen/atoms; - m[0].ycen=m[0].ycen/atoms; - m[0].zcen=m[0].zcen/atoms; - if(ss_flag == 0) - { - //fprintf(stderr,"No secondary structure information in file!\n"); - } - - fclose(fp); - //#ifdef NOZLIB - // fclose(fp); - //#else - // gzclose(fp); - //#endif - // if (atoms!=m[0].atoms) /* Are file sizes indentical? */ - //{ - // printf("Inconsistent number of atoms in file %s\n",m[0].filename); - // return(1); - //} - - } - else - { - printf("Couldn't open file \"%s\"\n",m[0].filename); - exit(1); - } - return(0); -} - -int read_molecules_ca(molecule *m) /* Reads in molecules to be superimposed */ -{ - int i,j,k,atoms,residues; /* Counter variables */ - char buff[1200]; /* Input string */ - char temp[1000]; /* Throwaway string */ - char line_flag[11]; /* PDB file line mode */ - char desc_flag[20]; - char residue[4]; /* PDB atom info for output */ - char name[4]; - int resnum; - char resname[9]; - char old_resname[9]="noname"; - char alt_loc_check[2]=" "; - char x_temp[11]; - char y_temp[11]; - char z_temp[11]; - //char number[8]; - int number; - char chain[2]; - char inscode[2]=" "; - char alt_loc[2]=" "; - double x,y,z; /* Temporary coordinates values */ - FILE *fp; - char temp_number[11]; - char temp_resnum[11]; - - i=0; /* It is only one molecule to be read this was done for the moment instead of changing all "i" to 0 */ - - - //for (i=0;i<2;i++) - //{ - //#ifdef NOZLIB*/ - //fp=fopen(m[i].filename,"r"); /* Does file exist? */ - //#else - //fp=gzopen(m[i].filename,"r"); /* Does file exist? */ - //#endif - //printf("%s\n",m[0].filename); - strcpy(m[0].method,"undef"); - m[0].rank=-1; - m[0].score=-9999; - fp=fopen(m[0].filename,"r"); /* Does file exist? */ - if (fp!=NULL) /* If yes, read in coordinates */ - { - /* Initialize things */ - //m[0].xcen=m[0].ycen=m[0].zcen=0; - atoms=0; - residues=0; - //#ifdef NOZLIB - //while(fgets(buff,255,fp)!=NULL) - //#else - //while(gzgets(fp,buff,255)!=NULL) - //#endif - while(fgets(buff,1000,fp)!=NULL) - { - //sscanf(buff,"%-6s %4d %-3s%1s%3s %1s%5s %7.3lf %7.3lf %7.3lf",line_flag,&number,name,residue,chain,&resnum,inscode,&x,&y,&z); - //sscanf(buff,"%s %d %s %s %s",line_flag,&number,name,residue,resname); - sscanf(buff,"%s",line_flag); - if(strcmp("REMARK",line_flag)==0) - { - //printf("%s",buff); - sscanf(buff,"%s %s %s",line_flag,desc_flag,temp); - if(strcmp("SS",desc_flag)==0) - { - //printf("%s\n%d\n\n",buff,strlen(buff)); - strcpy(m[0].ss,temp); - //printf("%s\n%d\n",m[0].ss,strlen(m[0].ss)); - } - if(strcmp("METHOD",desc_flag)==0) - { - strcpy(m[0].method,temp); - //printf("%s\n",m[0].method); - } - if(strcmp("SCORE",desc_flag)==0) - { - m[0].score=atof(temp); - //strcpy(m[0].method,temp); - //printf("%lf\n",m[0].score); - } - - } - if(strcmp("MODEL",line_flag)==0) - { - sscanf(buff,"%s %s",line_flag,temp); - m[0].rank=atoi(temp); - } - - if (strcmp("ATOM",line_flag)==0 && buff[13] != 'H') /* Is it an ATOM entry? */ - { - strncpy_NULL(temp_number,&buff[6],5); - strncpy_NULL(name,&buff[13],3); - //printf("%s",&buff[6]); - if(strcmp("CA ",name) == 0) - { - //printf("%s",&buff[6]); - strncpy_NULL(alt_loc,&buff[16],1); - strncpy_NULL(residue,&buff[17],3); - strncpy_NULL(chain,&buff[21],1); - strncpy_NULL(temp_resnum,&buff[22],4); - strncpy_NULL(resname,&buff[22],5); - strncpy_NULL(x_temp,&buff[30],8); - strncpy_NULL(y_temp,&buff[38],8); - strncpy_NULL(z_temp,&buff[46],8); - - number=atoi(temp_number); - resnum=atoi(temp_resnum); - x=atof(x_temp); - y=atof(y_temp); - z=atof(z_temp); - - - //printf("test: %s %d %s %s %s %s %d %s %lf %lf %lf\n",line_flag,number,name,alt_loc,residue,chain,resnum,resname,x,y,z); - //if (strcmp("N",name)==0) /* Is it an N atom => new residue? */ - //printf("%s %s\n",old_resname,resname); - if(strcmp(old_resname,resname)!=0) - { - m[0].sequence[residues]=aa321(residue); - residues++; - strcpy(alt_loc_check,alt_loc); - //printf("%s %s\n",resname,residue); - } - //sscanf(&buff[22],"%d %lf %lf %lf",&resnum,&x,&y,&z); - //printf("test %d %s %s %d %lf %lf %lf\n",number,name,residue,resnum,x,y,z); - if(strcmp(alt_loc_check,alt_loc)==0) - { - m[0].atm[atoms].x=x; - m[0].atm[atoms].y=y; - m[0].atm[atoms].z=z; - m[0].atm[atoms].resnum=resnum; - m[0].atm[atoms].number=number; //atoi(number); - m[0].atm[atoms].rescount=residues; - m[0].atm[atoms].selected=TRUE; - strcpy(m[0].atm[atoms].name,name); - strcpy(m[0].atm[atoms].residue,residue); - //if(strcmp(old_resname,resname)!=0) - // { - // m[0].sequence[residues-1]=aa321(residue); - // } - - m[0].xcen+=x; - m[0].ycen+=y; - m[0].zcen+=z; - atoms++; - strcpy(old_resname,resname); - } - } - } - } - m[0].sequence[residues]='\0'; - m[0].atoms=atoms; - m[0].residues=residues; - m[0].xcen=m[0].xcen/atoms; - m[0].ycen=m[0].ycen/atoms; - m[0].zcen=m[0].zcen/atoms; - fclose(fp); - //#ifdef NOZLIB - // fclose(fp); - //#else - // gzclose(fp); - //#endif - // if (atoms!=m[0].atoms) /* Are file sizes indentical? */ - //{ - // printf("Inconsistent number of atoms in file %s\n",m[0].filename); - // return(1); - //} - - } - else - { - printf("Couldn't open file \"%s\"\n",m[0].filename); - exit(1); - } - return(0); -} - - -int read_molecules_backbone(molecule *m) /* Reads in molecules to be superimposed */ -{ - int i,j,k,atoms,residues; /* Counter variables */ - char buff[1200]; /* Input string */ - char temp[1000]; /* Throwaway string */ - char line_flag[11]; /* PDB file line mode */ - char desc_flag[20]; - char residue[4]; /* PDB atom info for output */ - char name[4]; - int resnum; - char resname[9]; - char old_resname[9]="noname"; - char x_temp[11]; - char y_temp[11]; - char z_temp[11]; - //char number[8]; - int number; - char chain[2]; - char inscode[2]=" "; - char alt_loc[2]=" "; - double x,y,z; /* Temporary coordinates values */ - FILE *fp; - char temp_number[11]; - char temp_resnum[11]; - i=0; /* It is only one molecule to be read this was done for the moment instead of changing all "i" to 0 */ - //printf("%s\n",m[0].filename); - strcpy(m[0].method,"undef"); - m[0].rank=-1; - m[0].score=-9999; - - fp=fopen(m[0].filename,"r"); /* Does file exist? */ - if (fp!=NULL) /* If yes, read in coordinates */ - { - /* Initialize things */ - atoms=0; - residues=0; - while(fgets(buff,1000,fp)!=NULL) - { - //sscanf(buff,"%-6s %4d %-3s%1s%3s %1s%5s %7.3lf %7.3lf %7.3lf",line_flag,&number,name,residue,chain,&resnum,inscode,&x,&y,&z); - //sscanf(buff,"%s %d %s %s %s",line_flag,&number,name,residue,resname); - sscanf(buff,"%s",line_flag); - if(strcmp("REMARK",line_flag)==0) - { - sscanf(buff,"%s %s %s",line_flag,desc_flag,temp); - if(strcmp("SS",desc_flag)==0) - { - //strcpy(m[0].ss,temp); - strncpy_NULL(m[0].ss,temp,strlen(temp)); - // printf("%s\n",m[0].ss); - } - if(strcmp("METHOD",desc_flag)==0) - { - //strcpy(m[0].method,temp); - strncpy_NULL(m[0].method,temp,strlen(temp)); - //printf("%s\n",m[0].method); - } - if(strcmp("SCORE",desc_flag)==0) - { - m[0].score=atof(temp); - //strcpy(m[0].method,temp); - //printf("%lf\n",m[0].score); - } - - } - if(strcmp("MODEL",line_flag)==0) - { - sscanf(buff,"%s %s",line_flag,temp); - m[0].rank=atoi(temp); - } - if(strcmp("ATOM",line_flag)==0) /* Is it an ATOM entry? */ - { - //printf("%s",&buff[6]); - strncpy_NULL(temp_number,&buff[6],5); - strncpy_NULL(name,&buff[13],3); - //printf("%s",&buff[6]); - if(strcmp("CA ",name) == 0 || - strcmp("C ",name) == 0 || - strcmp("O ",name) == 0 || - strcmp("N ",name) ==0) - { - //printf("%d %s",2,&buff[6]); - strncpy_NULL(alt_loc,&buff[16],1); - strncpy_NULL(residue,&buff[17],3); - strncpy_NULL(chain,&buff[21],1); - strncpy_NULL(temp_resnum,&buff[22],4); - strncpy_NULL(resname,&buff[22],5); - strncpy_NULL(x_temp,&buff[30],8); - strncpy_NULL(y_temp,&buff[38],8); - strncpy_NULL(z_temp,&buff[46],8); - - - //(strcmp("CA ",name) !=0) - // - number=atoi(temp_number); - resnum=atoi(temp_resnum); - x=atof(x_temp); - y=atof(y_temp); - z=atof(z_temp); - - //printf("test: %s %d %s %s %s %s %d %s %lf %lf %lf\n",line_flag,number,name,alt_loc,residue,chain,resnum,resname,x,y,z); - //if (strcmp("N",name)==0) /* Is it an N atom => new residue? */ - //printf("%s %s\n",old_resname,resname); - if(strcmp(old_resname,resname)!=0) - { - m[0].sequence[residues]=aa321(residue); - m[0].res_ref[residues]=atoms; - residues++; - //printf("%s %s\n",resname,residue); - } - //printf("%s %s\n",resname,residue); - // } - //sscanf(&buff[22],"%d %lf %lf %lf",&resnum,&x,&y,&z); - //printf("test %d %s %s %d %lf %lf %lf\n",number,name,residue,resnum,x,y,z); - m[0].atm[atoms].x=x; - m[0].atm[atoms].y=y; - m[0].atm[atoms].z=z; - m[0].atm[atoms].resnum=resnum; - //printf("%d\n",m[0].atm[atoms].resnum); - m[0].atm[atoms].number=number; //atoi(number); - m[0].atm[atoms].rescount=residues; - m[0].atm[atoms].selected=TRUE; - strcpy(m[0].atm[atoms].name,name); - strcpy(m[0].atm[atoms].residue,residue); - if(strcmp("CA ",name) == 0) - { - //printf("%s %s %s %d\n",resname,residue,alt_loc,residues); - m[0].CA_ref[residues-1]=atoms; - } - - // if(strcmp(old_resname,resname)!=0) - // { - // m[0].sequence[residues-1]=aa321(residue); - // } - - m[0].xcen+=x; - m[0].ycen+=y; - m[0].zcen+=z; - atoms++; - strcpy(old_resname,resname); - //} - } - } - } - m[0].sequence[residues]='\0'; - m[0].atoms=atoms; - m[0].residues=residues; - m[0].xcen=m[0].xcen/atoms; - m[0].ycen=m[0].ycen/atoms; - m[0].zcen=m[0].zcen/atoms; - - - fclose(fp); - //#ifdef NOZLIB - // fclose(fp); - //#else - // gzclose(fp); - //#endif - // if (atoms!=m[0].atoms) /* Are file sizes indentical? */ - //{ - // printf("Inconsistent number of atoms in file %s\n",m[0].filename); - // return(1); - //} - - } - else - { - printf("Couldn't open file \"%s\"\n",m[0].filename); - exit(1); - } - return(0); -} - - -void strncpy_NULL(char *dest, char *src, size_t n) -{ - strncpy(dest, src, n); - dest[n]='\0'; -} - - - - - - -double crd(molecule *m,int atomno1, int atomno2) /* atomnoX is the first atom of the residue */ -{ - int i,j; - double dist,lowest_dist; - lowest_dist=999999; - //printf("crd i: %d, j; %d\n",atomno1,atomno2); - for(i=atomno1;m[0].atm[i].rescount == m[0].atm[atomno1].rescount;i++) - { - // if(strcmp("C ",m[0].atm[i].name)!=0 && - // strcmp("O ",m[0].atm[i].name)!=0 && - // strcmp("N ",m[0].atm[i].name)!=0) - { - for(j=atomno2;m[0].atm[j].rescount == m[0].atm[atomno2].rescount;j++) - { - // if(strcmp("C ",m[0].atm[j].name)!=0 && - // strcmp("O ",m[0].atm[j].name)!=0 && - // strcmp("N ",m[0].atm[j].name)!=0) - { - dist=distance(m,i,j); - //printf("%f ",dist); - if(dist (b) ? (a) : (b)) -#undef min -#define min(a,b) ((a) < (b) ? (a) : (b)) - -//#define SIZE (sizeof(a) / sizeof(a[0])) - -typedef struct - { - double x,y,z; /* Atomic coordinates */ - double rms; /* RMS deviation */ - char residue[8]; /* PDB info for output */ - char name[8]; - int number; - int resnum; - char resname[8]; - int rescount; - int selected; - int deleted; - double bfactor; - char chain[2]; - } atm; - -typedef struct { - atm atm[MAXATMS]; - int CA_ref[MAXRES]; - int res_ref[MAXRES]; - double xcen,ycen,zcen; - int atoms; /* Current # of atoms */ - int residues; - char sequence[MAXRES]; - char ss[MAXRES]; - double score; - char method[200]; - int rank; - char filename[1000]; /* filename to read molecule from */ - -} molecule; - -typedef struct -{ - double x,y,z; -}my_vector; - - -/* OBS!!!!!!!!! - To relace *_ca and _backbone with one routine I - changed input to read_molecules(molecule *m,char atomflag) - atomflag == a -> read all atoms (except H) - atomflag == c -> CA atoms - atomflag == b -> backbone CA,C,N,O atoms -*/ - -enum aacodes -{ - ALA, ARG, ASN, ASP, CYS, - GLN, GLU, GLY, HIS, ILE, - LEU, LYS, MET, PHE, PRO, - SER, THR, TRP, TYR, VAL, - UNK -}; - - -int read_molecules(molecule *m,char atomflag); -int read_molecules_ca(molecule *m); -int read_molecules_backbone(molecule *m); - -void strncpy_NULL(char *dest, char *src, size_t n); - -double distance(molecule *m,int atomno1, int atomno2); -double crd(molecule *m,int atomno1, int atomno2); /*closest residue distance */ -char aa321(char *name); - - -#endif diff --git a/testdata/1A2K.dockq b/testdata/1A2K.dockq new file mode 100644 index 0000000..0ac14cc --- /dev/null +++ b/testdata/1A2K.dockq @@ -0,0 +1,37 @@ +**************************************************************** +* DockQ * +* Scoring function for protein-protein docking models * +* Statistics on CAPRI data: * +* 0.00 <= DockQ < 0.23 - Incorrect * +* 0.23 <= DockQ < 0.49 - Acceptable quality * +* 0.49 <= DockQ < 0.80 - Medium quality * +* DockQ >= 0.80 - High quality * +* Ref: S. Basu and B. Wallner, DockQ: A quality measure for * +* protein-protein docking models * +* doi:10.1371/journal.pone.0161879 * +* For comments, please email: bjorn.wallner@.liu.se * +**************************************************************** +Model : examples/1A2K_r_l_b.model.pdb +Native : examples/1A2K_r_l_b.pdb +Total DockQ over 3 native interfaces: 1.959 +Native chains: A, B + Model chains: B, A + DockQ_F1: 0.996 + DockQ: 0.994 + irms: 0.000 + Lrms: 0.000 + fnat: 0.983 +Native chains: A, C + Model chains: B, C + DockQ_F1: 0.567 + DockQ: 0.511 + irms: 1.237 + Lrms: 6.864 + fnat: 0.333 +Native chains: B, C + Model chains: A, C + DockQ_F1: 0.500 + DockQ: 0.453 + irms: 2.104 + Lrms: 8.131 + fnat: 0.500 diff --git a/testdata/1EXB.dockq b/testdata/1EXB.dockq new file mode 100644 index 0000000..fdc0805 --- /dev/null +++ b/testdata/1EXB.dockq @@ -0,0 +1,17 @@ +Total DockQ over 16 native interfaces: 0.852 with BACDFHEG:ABDCEGFH model:native mapping +DockQ 1.000 DockQ_F1 1.000 Fnat 1.000 iRMS 0.000 LRMS 0.000 Fnonnat 0.000 clashes 0 mapping BC:AD examples/1EXB_r_l_b.model.pdb B C -> examples/1EXB_r_l_b.pdb A D +DockQ 0.995 DockQ_F1 0.998 Fnat 0.985 iRMS 0.000 LRMS 0.000 Fnonnat 0.000 clashes 0 mapping BD:AC examples/1EXB_r_l_b.model.pdb B D -> examples/1EXB_r_l_b.pdb A C +DockQ 0.552 DockQ_F1 0.606 Fnat 0.304 iRMS 1.458 LRMS 3.757 Fnonnat 0.000 clashes 0 mapping BF:AE examples/1EXB_r_l_b.model.pdb B F -> examples/1EXB_r_l_b.pdb A E +DockQ 0.694 DockQ_F1 0.751 Fnat 0.400 iRMS 0.793 LRMS 2.831 Fnonnat 0.000 clashes 0 mapping BH:AG examples/1EXB_r_l_b.model.pdb B H -> examples/1EXB_r_l_b.pdb A G +DockQ 0.995 DockQ_F1 0.998 Fnat 0.985 iRMS 0.000 LRMS 0.000 Fnonnat 0.000 clashes 0 mapping AC:BD examples/1EXB_r_l_b.model.pdb A C -> examples/1EXB_r_l_b.pdb B D +DockQ 0.995 DockQ_F1 0.998 Fnat 0.985 iRMS 0.000 LRMS 0.000 Fnonnat 0.000 clashes 0 mapping AD:BC examples/1EXB_r_l_b.model.pdb A D -> examples/1EXB_r_l_b.pdb B C +DockQ 0.742 DockQ_F1 0.772 Fnat 0.609 iRMS 0.850 LRMS 3.426 Fnonnat 0.176 clashes 0 mapping AE:BF examples/1EXB_r_l_b.model.pdb A E -> examples/1EXB_r_l_b.pdb B F +DockQ 0.824 DockQ_F1 0.853 Fnat 0.800 iRMS 0.625 LRMS 3.994 Fnonnat 0.000 clashes 0 mapping AG:BH examples/1EXB_r_l_b.model.pdb A G -> examples/1EXB_r_l_b.pdb B H +DockQ 0.687 DockQ_F1 0.737 Fnat 0.600 iRMS 1.161 LRMS 3.757 Fnonnat 0.000 clashes 0 mapping CF:DE examples/1EXB_r_l_b.model.pdb C F -> examples/1EXB_r_l_b.pdb D E +DockQ 0.477 DockQ_F1 0.502 Fnat 0.087 iRMS 1.425 LRMS 3.994 Fnonnat 0.000 clashes 0 mapping CG:DH examples/1EXB_r_l_b.model.pdb C G -> examples/1EXB_r_l_b.pdb D H +DockQ 0.775 DockQ_F1 0.812 Fnat 0.609 iRMS 0.711 LRMS 2.831 Fnonnat 0.125 clashes 0 mapping DH:CG examples/1EXB_r_l_b.model.pdb D H -> examples/1EXB_r_l_b.pdb C G +DockQ 0.914 DockQ_F1 0.914 Fnat 1.000 iRMS 0.547 LRMS 3.426 Fnonnat 0.000 clashes 0 mapping DE:CF examples/1EXB_r_l_b.model.pdb D E -> examples/1EXB_r_l_b.pdb C F +DockQ 0.992 DockQ_F1 0.996 Fnat 0.976 iRMS 0.001 LRMS 0.000 Fnonnat 0.000 clashes 0 mapping FH:EG examples/1EXB_r_l_b.model.pdb F H -> examples/1EXB_r_l_b.pdb E G +DockQ 0.992 DockQ_F1 0.996 Fnat 0.976 iRMS 0.001 LRMS 0.000 Fnonnat 0.000 clashes 0 mapping FG:EH examples/1EXB_r_l_b.model.pdb F G -> examples/1EXB_r_l_b.pdb E H +DockQ 0.992 DockQ_F1 0.996 Fnat 0.976 iRMS 0.001 LRMS 0.001 Fnonnat 0.000 clashes 0 mapping HE:GF examples/1EXB_r_l_b.model.pdb H E -> examples/1EXB_r_l_b.pdb G F +DockQ 1.000 DockQ_F1 0.996 Fnat 1.000 iRMS 0.001 LRMS 0.001 Fnonnat 0.024 clashes 0 mapping EG:FH examples/1EXB_r_l_b.model.pdb E G -> examples/1EXB_r_l_b.pdb F H diff --git a/testdata/1EXB_.ABC.dockq b/testdata/1EXB_.ABC.dockq new file mode 100644 index 0000000..f63b8b2 --- /dev/null +++ b/testdata/1EXB_.ABC.dockq @@ -0,0 +1,3 @@ +Total DockQ over 2 native interfaces: 0.998 with ABC:ABC model:native mapping +DockQ 0.995 DockQ_F1 0.998 Fnat 0.985 iRMS 0.000 LRMS 0.000 Fnonnat 0.000 clashes 0 mapping AC:AC examples/1EXB_r_l_b.model.pdb A C -> examples/1EXB_r_l_b.pdb A C +DockQ 1.000 DockQ_F1 1.000 Fnat 1.000 iRMS 0.000 LRMS 0.000 Fnonnat 0.000 clashes 0 mapping BC:BC examples/1EXB_r_l_b.model.pdb B C -> examples/1EXB_r_l_b.pdb B C diff --git a/testdata/1EXB_AB.BA.dockq b/testdata/1EXB_AB.BA.dockq new file mode 100644 index 0000000..b864372 --- /dev/null +++ b/testdata/1EXB_AB.BA.dockq @@ -0,0 +1,17 @@ +Total DockQ over 16 native interfaces: 0.852 with ABCDFHEG:BADCEGFH model:native mapping +DockQ 0.995 DockQ_F1 0.998 Fnat 0.985 iRMS 0.000 LRMS 0.000 Fnonnat 0.000 clashes 0 mapping AC:BD examples/1EXB_r_l_b.model.pdb A C -> examples/1EXB_r_l_b.pdb B D +DockQ 0.995 DockQ_F1 0.998 Fnat 0.985 iRMS 0.000 LRMS 0.000 Fnonnat 0.000 clashes 0 mapping AD:BC examples/1EXB_r_l_b.model.pdb A D -> examples/1EXB_r_l_b.pdb B C +DockQ 0.742 DockQ_F1 0.772 Fnat 0.609 iRMS 0.850 LRMS 3.426 Fnonnat 0.176 clashes 0 mapping AE:BF examples/1EXB_r_l_b.model.pdb A E -> examples/1EXB_r_l_b.pdb B F +DockQ 0.824 DockQ_F1 0.853 Fnat 0.800 iRMS 0.625 LRMS 3.994 Fnonnat 0.000 clashes 0 mapping AG:BH examples/1EXB_r_l_b.model.pdb A G -> examples/1EXB_r_l_b.pdb B H +DockQ 1.000 DockQ_F1 1.000 Fnat 1.000 iRMS 0.000 LRMS 0.000 Fnonnat 0.000 clashes 0 mapping BC:AD examples/1EXB_r_l_b.model.pdb B C -> examples/1EXB_r_l_b.pdb A D +DockQ 0.995 DockQ_F1 0.998 Fnat 0.985 iRMS 0.000 LRMS 0.000 Fnonnat 0.000 clashes 0 mapping BD:AC examples/1EXB_r_l_b.model.pdb B D -> examples/1EXB_r_l_b.pdb A C +DockQ 0.552 DockQ_F1 0.606 Fnat 0.304 iRMS 1.458 LRMS 3.757 Fnonnat 0.000 clashes 0 mapping BF:AE examples/1EXB_r_l_b.model.pdb B F -> examples/1EXB_r_l_b.pdb A E +DockQ 0.694 DockQ_F1 0.751 Fnat 0.400 iRMS 0.793 LRMS 2.831 Fnonnat 0.000 clashes 0 mapping BH:AG examples/1EXB_r_l_b.model.pdb B H -> examples/1EXB_r_l_b.pdb A G +DockQ 0.687 DockQ_F1 0.737 Fnat 0.600 iRMS 1.161 LRMS 3.757 Fnonnat 0.000 clashes 0 mapping CF:DE examples/1EXB_r_l_b.model.pdb C F -> examples/1EXB_r_l_b.pdb D E +DockQ 0.477 DockQ_F1 0.502 Fnat 0.087 iRMS 1.425 LRMS 3.994 Fnonnat 0.000 clashes 0 mapping CG:DH examples/1EXB_r_l_b.model.pdb C G -> examples/1EXB_r_l_b.pdb D H +DockQ 0.775 DockQ_F1 0.812 Fnat 0.609 iRMS 0.711 LRMS 2.831 Fnonnat 0.125 clashes 0 mapping DH:CG examples/1EXB_r_l_b.model.pdb D H -> examples/1EXB_r_l_b.pdb C G +DockQ 0.914 DockQ_F1 0.914 Fnat 1.000 iRMS 0.547 LRMS 3.426 Fnonnat 0.000 clashes 0 mapping DE:CF examples/1EXB_r_l_b.model.pdb D E -> examples/1EXB_r_l_b.pdb C F +DockQ 0.992 DockQ_F1 0.996 Fnat 0.976 iRMS 0.001 LRMS 0.000 Fnonnat 0.000 clashes 0 mapping FH:EG examples/1EXB_r_l_b.model.pdb F H -> examples/1EXB_r_l_b.pdb E G +DockQ 0.992 DockQ_F1 0.996 Fnat 0.976 iRMS 0.001 LRMS 0.000 Fnonnat 0.000 clashes 0 mapping FG:EH examples/1EXB_r_l_b.model.pdb F G -> examples/1EXB_r_l_b.pdb E H +DockQ 0.992 DockQ_F1 0.996 Fnat 0.976 iRMS 0.001 LRMS 0.001 Fnonnat 0.000 clashes 0 mapping HE:GF examples/1EXB_r_l_b.model.pdb H E -> examples/1EXB_r_l_b.pdb G F +DockQ 1.000 DockQ_F1 0.996 Fnat 1.000 iRMS 0.001 LRMS 0.001 Fnonnat 0.024 clashes 0 mapping EG:FH examples/1EXB_r_l_b.model.pdb E G -> examples/1EXB_r_l_b.pdb F H diff --git a/testdata/1EXB_ABCDEFGH.BADCFEHG.dockq b/testdata/1EXB_ABCDEFGH.BADCFEHG.dockq new file mode 100644 index 0000000..1c263d6 --- /dev/null +++ b/testdata/1EXB_ABCDEFGH.BADCFEHG.dockq @@ -0,0 +1,17 @@ +Total DockQ over 16 native interfaces: 0.852 with ABCDEFGH:BADCFEHG model:native mapping +DockQ 0.995 DockQ_F1 0.998 Fnat 0.985 iRMS 0.000 LRMS 0.000 Fnonnat 0.000 clashes 0 mapping AC:BD examples/1EXB_r_l_b.model.pdb A C -> examples/1EXB_r_l_b.pdb B D +DockQ 0.995 DockQ_F1 0.998 Fnat 0.985 iRMS 0.000 LRMS 0.000 Fnonnat 0.000 clashes 0 mapping AD:BC examples/1EXB_r_l_b.model.pdb A D -> examples/1EXB_r_l_b.pdb B C +DockQ 0.742 DockQ_F1 0.772 Fnat 0.609 iRMS 0.850 LRMS 3.426 Fnonnat 0.176 clashes 0 mapping AE:BF examples/1EXB_r_l_b.model.pdb A E -> examples/1EXB_r_l_b.pdb B F +DockQ 0.824 DockQ_F1 0.853 Fnat 0.800 iRMS 0.625 LRMS 3.994 Fnonnat 0.000 clashes 0 mapping AG:BH examples/1EXB_r_l_b.model.pdb A G -> examples/1EXB_r_l_b.pdb B H +DockQ 1.000 DockQ_F1 1.000 Fnat 1.000 iRMS 0.000 LRMS 0.000 Fnonnat 0.000 clashes 0 mapping BC:AD examples/1EXB_r_l_b.model.pdb B C -> examples/1EXB_r_l_b.pdb A D +DockQ 0.995 DockQ_F1 0.998 Fnat 0.985 iRMS 0.000 LRMS 0.000 Fnonnat 0.000 clashes 0 mapping BD:AC examples/1EXB_r_l_b.model.pdb B D -> examples/1EXB_r_l_b.pdb A C +DockQ 0.552 DockQ_F1 0.606 Fnat 0.304 iRMS 1.458 LRMS 3.757 Fnonnat 0.000 clashes 0 mapping BF:AE examples/1EXB_r_l_b.model.pdb B F -> examples/1EXB_r_l_b.pdb A E +DockQ 0.694 DockQ_F1 0.751 Fnat 0.400 iRMS 0.793 LRMS 2.831 Fnonnat 0.000 clashes 0 mapping BH:AG examples/1EXB_r_l_b.model.pdb B H -> examples/1EXB_r_l_b.pdb A G +DockQ 0.687 DockQ_F1 0.737 Fnat 0.600 iRMS 1.161 LRMS 3.757 Fnonnat 0.000 clashes 0 mapping CF:DE examples/1EXB_r_l_b.model.pdb C F -> examples/1EXB_r_l_b.pdb D E +DockQ 0.477 DockQ_F1 0.502 Fnat 0.087 iRMS 1.425 LRMS 3.994 Fnonnat 0.000 clashes 0 mapping CG:DH examples/1EXB_r_l_b.model.pdb C G -> examples/1EXB_r_l_b.pdb D H +DockQ 0.914 DockQ_F1 0.914 Fnat 1.000 iRMS 0.547 LRMS 3.426 Fnonnat 0.000 clashes 0 mapping DE:CF examples/1EXB_r_l_b.model.pdb D E -> examples/1EXB_r_l_b.pdb C F +DockQ 0.775 DockQ_F1 0.812 Fnat 0.609 iRMS 0.711 LRMS 2.831 Fnonnat 0.125 clashes 0 mapping DH:CG examples/1EXB_r_l_b.model.pdb D H -> examples/1EXB_r_l_b.pdb C G +DockQ 1.000 DockQ_F1 0.996 Fnat 1.000 iRMS 0.001 LRMS 0.001 Fnonnat 0.024 clashes 0 mapping EG:FH examples/1EXB_r_l_b.model.pdb E G -> examples/1EXB_r_l_b.pdb F H +DockQ 0.992 DockQ_F1 0.996 Fnat 0.976 iRMS 0.001 LRMS 0.001 Fnonnat 0.000 clashes 0 mapping EH:FG examples/1EXB_r_l_b.model.pdb E H -> examples/1EXB_r_l_b.pdb F G +DockQ 0.992 DockQ_F1 0.996 Fnat 0.976 iRMS 0.001 LRMS 0.000 Fnonnat 0.000 clashes 0 mapping FG:EH examples/1EXB_r_l_b.model.pdb F G -> examples/1EXB_r_l_b.pdb E H +DockQ 0.992 DockQ_F1 0.996 Fnat 0.976 iRMS 0.001 LRMS 0.000 Fnonnat 0.000 clashes 0 mapping FH:EG examples/1EXB_r_l_b.model.pdb F H -> examples/1EXB_r_l_b.pdb E G diff --git a/testdata/1EXB_DH.AE.dockq b/testdata/1EXB_DH.AE.dockq new file mode 100644 index 0000000..3b5e296 --- /dev/null +++ b/testdata/1EXB_DH.AE.dockq @@ -0,0 +1,23 @@ +**************************************************************** +* DockQ * +* Scoring function for protein-protein docking models * +* Statistics on CAPRI data: * +* 0.00 <= DockQ < 0.23 - Incorrect * +* 0.23 <= DockQ < 0.49 - Acceptable quality * +* 0.49 <= DockQ < 0.80 - Medium quality * +* DockQ >= 0.80 - High quality * +* Ref: S. Basu and B. Wallner, DockQ: A quality measure for * +* protein-protein docking models * +* doi:10.1371/journal.pone.0161879 * +* For comments, please email: bjorn.wallner@.liu.se * +**************************************************************** +Model : examples/1EXB_r_l_b.model.pdb +Native : examples/1EXB_r_l_b.pdb +Total DockQ over 1 native interfaces: 0.775 +Native chains: A, E + Model chains: D, H + DockQ_F1: 0.812 + DockQ: 0.775 + irms: 0.711 + Lrms: 2.831 + fnat: 0.609 diff --git a/testdata/1EXB_DH.AE_cif.dockq b/testdata/1EXB_DH.AE_cif.dockq new file mode 100644 index 0000000..52d2056 --- /dev/null +++ b/testdata/1EXB_DH.AE_cif.dockq @@ -0,0 +1,23 @@ +**************************************************************** +* DockQ * +* Scoring function for protein-protein docking models * +* Statistics on CAPRI data: * +* 0.00 <= DockQ < 0.23 - Incorrect * +* 0.23 <= DockQ < 0.49 - Acceptable quality * +* 0.49 <= DockQ < 0.80 - Medium quality * +* DockQ >= 0.80 - High quality * +* Ref: S. Basu and B. Wallner, DockQ: A quality measure for * +* protein-protein docking models * +* doi:10.1371/journal.pone.0161879 * +* For comments, please email: bjorn.wallner@.liu.se * +**************************************************************** +Model : examples/1EXB_r_l_b.model.pdb +Native : examples/1EXB.cif.gz +Total DockQ over 1 native interfaces: 0.775 +Native chains: A, E + Model chains: D, H + DockQ_F1: 0.812 + DockQ: 0.775 + irms: 0.711 + Lrms: 2.831 + fnat: 0.609 diff --git a/testdata/6q2n_peptide.dockq b/testdata/6q2n_peptide.dockq new file mode 100644 index 0000000..eb84ff6 --- /dev/null +++ b/testdata/6q2n_peptide.dockq @@ -0,0 +1,21 @@ +**************************************************************** +* DockQ-CAPRI peptide * +* Do not trust any thing you read.... * +* OBS THE DEFINITION OF Fnat and iRMS are different for * +* peptides in CAPRI * +* * +* Ref: S. Basu and B. Wallner, DockQ: A quality measure for * +* protein-protein docking models * +* doi:10.1371/journal.pone.0161879 * +* For comments, please email: bjorn.wallner@.liu.se * +**************************************************************** +Model : examples/6qwn-assembly1.cif.gz +Native : examples/6qwn-assembly2.cif.gz +Total DockQ over 1 native interfaces: 0.872 +Native chains: B, G + Model chains: A, F + DockQ_F1: 0.885 + DockQ: 0.872 + irms: 0.588 + Lrms: 0.982 + fnat: 0.762 diff --git a/testdata/dimer_dimer.dockq b/testdata/dimer_dimer.dockq new file mode 100644 index 0000000..1f4c077 --- /dev/null +++ b/testdata/dimer_dimer.dockq @@ -0,0 +1,5 @@ +Total DockQ over 4 native interfaces: 1.000 with ABLH:ABLH model:native mapping +DockQ 1.000 DockQ_F1 1.000 Fnat 1.000 iRMS 0.000 LRMS 0.000 Fnonnat 0.000 clashes 0 mapping AB:AB examples/dimer_dimer.model.pdb A B -> examples/dimer_dimer.pdb A B +DockQ 1.000 DockQ_F1 1.000 Fnat 1.000 iRMS 0.000 LRMS 0.000 Fnonnat 0.000 clashes 0 mapping AL:AL examples/dimer_dimer.model.pdb A L -> examples/dimer_dimer.pdb A L +DockQ 1.000 DockQ_F1 1.000 Fnat 1.000 iRMS 0.000 LRMS 0.000 Fnonnat 0.000 clashes 0 mapping AH:AH examples/dimer_dimer.model.pdb A H -> examples/dimer_dimer.pdb A H +DockQ 1.000 DockQ_F1 1.000 Fnat 1.000 iRMS 0.000 LRMS 0.000 Fnonnat 0.000 clashes 0 mapping LH:LH examples/dimer_dimer.model.pdb L H -> examples/dimer_dimer.pdb L H diff --git a/testdata/model.dockq b/testdata/model.dockq new file mode 100644 index 0000000..767269a --- /dev/null +++ b/testdata/model.dockq @@ -0,0 +1,23 @@ +**************************************************************** +* DockQ * +* Scoring function for protein-protein docking models * +* Statistics on CAPRI data: * +* 0.00 <= DockQ < 0.23 - Incorrect * +* 0.23 <= DockQ < 0.49 - Acceptable quality * +* 0.49 <= DockQ < 0.80 - Medium quality * +* DockQ >= 0.80 - High quality * +* Ref: S. Basu and B. Wallner, DockQ: A quality measure for * +* protein-protein docking models * +* doi:10.1371/journal.pone.0161879 * +* For comments, please email: bjorn.wallner@.liu.se * +**************************************************************** +Model : examples/model.pdb +Native : examples/native.pdb +Total DockQ over 1 native interfaces: 0.700 +Native chains: A, B + Model chains: A, B + DockQ_F1: 0.731 + DockQ: 0.700 + irms: 1.232 + Lrms: 1.516 + fnat: 0.533