data_ma-t3vr3-799 _entry.id ma-t3vr3-799 _entry.ma_collection_id ma-t3vr3 _struct.entry_id ma-t3vr3-799 _struct.pdbx_model_details ;Predicted interaction between Chromodomain-helicase-DNA-binding protein 4 (residue 146 - 223) and Zinc finger protein 592 (residue 1181 - 1267). Model generated using AlphaFold2 with a 200 residue separation between the chains starting from a paired Multiple Sequence Alignment(pMSA). ; _struct.pdbx_structure_determination_methodology computational _struct.title 'Predicted interaction between CHD4 (146-223) and ZNF592 (1181-1267)' _audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/ba728c4/archive/mmcif_ma-v1.4.5.dic _audit_conform.dict_name mmcif_ma.dic _audit_conform.dict_version 1.4.5 loop_ _citation.id _citation.title _citation.journal_abbrev _citation.journal_volume _citation.page_first _citation.page_last _citation.year _citation.pdbx_database_id_PubMed _citation.pdbx_database_id_DOI primary 'Computed cancer interactome explains the effects of somatic mutations in cancers.' 'Protein Sci' 31 e4479 . 2022 36261849 10.1002/pro.4479 2 'Highly accurate protein structure prediction with AlphaFold.' Nature 596 583 589 2021 34265844 10.1038/s41586-021-03819-2 loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Zhang, J.' 1 primary 'Pei, J.' 2 primary 'Durham, J.' 3 primary 'Bos, T.' 4 primary 'Cong, Q.' 5 2 'Jumper, J.' 6 2 'Evans, R.' 7 2 'Pritzel, A.' 8 2 'Green, T.' 9 2 'Figurnov, M.' 10 2 'Ronneberger, O.' 11 2 'Tunyasuvunakool, K.' 12 2 'Bates, R.' 13 2 'Zidek, A.' 14 2 'Potapenko, A.' 15 2 'Bridgland, A.' 16 2 'Meyer, C.' 17 2 'Kohl, S.A.A.' 18 2 'Ballard, A.J.' 19 2 'Cowie, A.' 20 2 'Romera-Paredes, B.' 21 2 'Nikolov, S.' 22 2 'Jain, R.' 23 2 'Adler, J.' 24 2 'Back, T.' 25 2 'Petersen, S.' 26 2 'Reiman, D.' 27 2 'Clancy, E.' 28 2 'Zielinski, M.' 29 2 'Steinegger, M.' 30 2 'Pacholska, M.' 31 2 'Berghammer, T.' 32 2 'Bodenstein, S.' 33 2 'Silver, D.' 34 2 'Vinyals, O.' 35 2 'Senior, A.W.' 36 2 'Kavukcuoglu, K.' 37 2 'Kohli, P.' 38 2 'Hassabis, D.' 39 loop_ _software.pdbx_ordinal _software.name _software.classification _software.description _software.version _software.type _software.location _software.citation_id 1 AlphaFold 'model building' 'Structure prediction' 2.0.0 package https://github.com/deepmind/alphafold 2 loop_ _ma_software_group.ordinal_id _ma_software_group.group_id _ma_software_group.software_id _ma_software_group.parameter_group_id 1 1 1 . loop_ _audit_author.name _audit_author.pdbx_ordinal 'Zhang, J.' 1 'Pei, J.' 2 'Durham, J.' 3 'Bos, T.' 4 'Cong, Q.' 5 loop_ _chem_comp.id _chem_comp.type _chem_comp.name _chem_comp.formula _chem_comp.formula_weight _chem_comp.ma_provenance ALA 'L-peptide linking' ALANINE 'C3 H7 N O2' 89.094 'CCD Core' ARG 'L-peptide linking' ARGININE 'C6 H15 N4 O2 1' 175.212 'CCD Core' ASN 'L-peptide linking' ASPARAGINE 'C4 H8 N2 O3' 132.119 'CCD Core' ASP 'L-peptide linking' 'ASPARTIC ACID' 'C4 H7 N O4' 133.103 'CCD Core' CYS 'L-peptide linking' CYSTEINE 'C3 H7 N O2 S' 121.154 'CCD Core' GLN 'L-peptide linking' GLUTAMINE 'C5 H10 N2 O3' 146.146 'CCD Core' GLU 'L-peptide linking' 'GLUTAMIC ACID' 'C5 H9 N O4' 147.130 'CCD Core' GLY 'peptide linking' GLYCINE 'C2 H5 N O2' 75.067 'CCD Core' HIS 'L-peptide linking' HISTIDINE 'C6 H10 N3 O2 1' 156.165 'CCD Core' ILE 'L-peptide linking' ISOLEUCINE 'C6 H13 N O2' 131.175 'CCD Core' LEU 'L-peptide linking' LEUCINE 'C6 H13 N O2' 131.175 'CCD Core' LYS 'L-peptide linking' LYSINE 'C6 H15 N2 O2 1' 147.198 'CCD Core' MET 'L-peptide linking' METHIONINE 'C5 H11 N O2 S' 149.208 'CCD Core' PHE 'L-peptide linking' PHENYLALANINE 'C9 H11 N O2' 165.192 'CCD Core' PRO 'L-peptide linking' PROLINE 'C5 H9 N O2' 115.132 'CCD Core' SER 'L-peptide linking' SERINE 'C3 H7 N O3' 105.093 'CCD Core' THR 'L-peptide linking' THREONINE 'C4 H9 N O3' 119.120 'CCD Core' TRP 'L-peptide linking' TRYPTOPHAN 'C11 H12 N2 O2' 204.229 'CCD Core' TYR 'L-peptide linking' TYROSINE 'C9 H11 N O3' 181.191 'CCD Core' VAL 'L-peptide linking' VALINE 'C5 H11 N O2' 117.148 'CCD Core' loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.details 1 polymer nat 'Homo sapiens (Human) CHD4 (Q14839; 146 - 223)' 10300.433 1 . 2 polymer nat 'Homo sapiens (Human) ZNF592 (Q92610; 1181 - 1267)' 10862.987 1 . loop_ _entity_src_nat.entity_id _entity_src_nat.pdbx_src_id _entity_src_nat.pdbx_ncbi_taxonomy_id _entity_src_nat.pdbx_organism_scientific _entity_src_nat.common_name _entity_src_nat.strain 1 1 9606 'Homo sapiens (Human)' . . 2 2 9606 'Homo sapiens (Human)' . . loop_ _ma_target_ref_db_details.target_entity_id _ma_target_ref_db_details.db_name _ma_target_ref_db_details.db_name_other_details _ma_target_ref_db_details.db_code _ma_target_ref_db_details.db_accession _ma_target_ref_db_details.seq_db_isoform _ma_target_ref_db_details.seq_db_align_begin _ma_target_ref_db_details.seq_db_align_end _ma_target_ref_db_details.ncbi_taxonomy_id _ma_target_ref_db_details.organism_scientific _ma_target_ref_db_details.seq_db_sequence_version_date _ma_target_ref_db_details.seq_db_sequence_checksum 1 UNP . CHD4_HUMAN Q14839 . 146 223 9606 'Homo sapiens (Human)' 2010-11-02 765ED8485B7BBB85 2 UNP . ZN592_HUMAN Q92610 . 1181 1267 9606 'Homo sapiens (Human)' 2008-10-14 5BD1CF586BB30E53 loop_ _entity_poly.entity_id _entity_poly.type _entity_poly.nstd_linkage _entity_poly.nstd_monomer _entity_poly.pdbx_strand_id _entity_poly.pdbx_seq_one_letter_code _entity_poly.pdbx_seq_one_letter_code_can 1 polypeptide(L) no no A ;KEPKSSAQLLEDWGMEDIDHVFSEEDYRTLTNYKAFSQFVRPLIAAKNPKIAVSKMMMVLGAKWREFSTN NPFKGSSG ; ;KEPKSSAQLLEDWGMEDIDHVFSEEDYRTLTNYKAFSQFVRPLIAAKNPKIAVSKMMMVLGAKWREFSTN NPFKGSSG ; 2 polypeptide(L) no no B ;QEEEEEEEAAAAEMAVEVAEPEEGSGEEVPMETRENGLEECAGEPLSADPEARRLLGPAPEDDGGHNDHS QPQASQDQDSHTLSPQV ; ;QEEEEEEEAAAAEMAVEVAEPEEGSGEEVPMETRENGLEECAGEPLSADPEARRLLGPAPEDDGGHNDHS QPQASQDQDSHTLSPQV ; loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 LYS . 1 2 GLU . 1 3 PRO . 1 4 LYS . 1 5 SER . 1 6 SER . 1 7 ALA . 1 8 GLN . 1 9 LEU . 1 10 LEU . 1 11 GLU . 1 12 ASP . 1 13 TRP . 1 14 GLY . 1 15 MET . 1 16 GLU . 1 17 ASP . 1 18 ILE . 1 19 ASP . 1 20 HIS . 1 21 VAL . 1 22 PHE . 1 23 SER . 1 24 GLU . 1 25 GLU . 1 26 ASP . 1 27 TYR . 1 28 ARG . 1 29 THR . 1 30 LEU . 1 31 THR . 1 32 ASN . 1 33 TYR . 1 34 LYS . 1 35 ALA . 1 36 PHE . 1 37 SER . 1 38 GLN . 1 39 PHE . 1 40 VAL . 1 41 ARG . 1 42 PRO . 1 43 LEU . 1 44 ILE . 1 45 ALA . 1 46 ALA . 1 47 LYS . 1 48 ASN . 1 49 PRO . 1 50 LYS . 1 51 ILE . 1 52 ALA . 1 53 VAL . 1 54 SER . 1 55 LYS . 1 56 MET . 1 57 MET . 1 58 MET . 1 59 VAL . 1 60 LEU . 1 61 GLY . 1 62 ALA . 1 63 LYS . 1 64 TRP . 1 65 ARG . 1 66 GLU . 1 67 PHE . 1 68 SER . 1 69 THR . 1 70 ASN . 1 71 ASN . 1 72 PRO . 1 73 PHE . 1 74 LYS . 1 75 GLY . 1 76 SER . 1 77 SER . 1 78 GLY . 2 1 GLN . 2 2 GLU . 2 3 GLU . 2 4 GLU . 2 5 GLU . 2 6 GLU . 2 7 GLU . 2 8 GLU . 2 9 ALA . 2 10 ALA . 2 11 ALA . 2 12 ALA . 2 13 GLU . 2 14 MET . 2 15 ALA . 2 16 VAL . 2 17 GLU . 2 18 VAL . 2 19 ALA . 2 20 GLU . 2 21 PRO . 2 22 GLU . 2 23 GLU . 2 24 GLY . 2 25 SER . 2 26 GLY . 2 27 GLU . 2 28 GLU . 2 29 VAL . 2 30 PRO . 2 31 MET . 2 32 GLU . 2 33 THR . 2 34 ARG . 2 35 GLU . 2 36 ASN . 2 37 GLY . 2 38 LEU . 2 39 GLU . 2 40 GLU . 2 41 CYS . 2 42 ALA . 2 43 GLY . 2 44 GLU . 2 45 PRO . 2 46 LEU . 2 47 SER . 2 48 ALA . 2 49 ASP . 2 50 PRO . 2 51 GLU . 2 52 ALA . 2 53 ARG . 2 54 ARG . 2 55 LEU . 2 56 LEU . 2 57 GLY . 2 58 PRO . 2 59 ALA . 2 60 PRO . 2 61 GLU . 2 62 ASP . 2 63 ASP . 2 64 GLY . 2 65 GLY . 2 66 HIS . 2 67 ASN . 2 68 ASP . 2 69 HIS . 2 70 SER . 2 71 GLN . 2 72 PRO . 2 73 GLN . 2 74 ALA . 2 75 SER . 2 76 GLN . 2 77 ASP . 2 78 GLN . 2 79 ASP . 2 80 SER . 2 81 HIS . 2 82 THR . 2 83 LEU . 2 84 SER . 2 85 PRO . 2 86 GLN . 2 87 VAL . loop_ _struct_asym.id _struct_asym.entity_id _struct_asym.details A 1 . B 2 . loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code A 1 1 LYS 146 146 LYS LYS A . A 1 2 GLU 147 147 GLU GLU A . A 1 3 PRO 148 148 PRO PRO A . A 1 4 LYS 149 149 LYS LYS A . A 1 5 SER 150 150 SER SER A . A 1 6 SER 151 151 SER SER A . A 1 7 ALA 152 152 ALA ALA A . A 1 8 GLN 153 153 GLN GLN A . A 1 9 LEU 154 154 LEU LEU A . A 1 10 LEU 155 155 LEU LEU A . A 1 11 GLU 156 156 GLU GLU A . A 1 12 ASP 157 157 ASP ASP A . A 1 13 TRP 158 158 TRP TRP A . A 1 14 GLY 159 159 GLY GLY A . A 1 15 MET 160 160 MET MET A . A 1 16 GLU 161 161 GLU GLU A . A 1 17 ASP 162 162 ASP ASP A . A 1 18 ILE 163 163 ILE ILE A . A 1 19 ASP 164 164 ASP ASP A . A 1 20 HIS 165 165 HIS HIS A . A 1 21 VAL 166 166 VAL VAL A . A 1 22 PHE 167 167 PHE PHE A . A 1 23 SER 168 168 SER SER A . A 1 24 GLU 169 169 GLU GLU A . A 1 25 GLU 170 170 GLU GLU A . A 1 26 ASP 171 171 ASP ASP A . A 1 27 TYR 172 172 TYR TYR A . A 1 28 ARG 173 173 ARG ARG A . A 1 29 THR 174 174 THR THR A . A 1 30 LEU 175 175 LEU LEU A . A 1 31 THR 176 176 THR THR A . A 1 32 ASN 177 177 ASN ASN A . A 1 33 TYR 178 178 TYR TYR A . A 1 34 LYS 179 179 LYS LYS A . A 1 35 ALA 180 180 ALA ALA A . A 1 36 PHE 181 181 PHE PHE A . A 1 37 SER 182 182 SER SER A . A 1 38 GLN 183 183 GLN GLN A . A 1 39 PHE 184 184 PHE PHE A . A 1 40 VAL 185 185 VAL VAL A . A 1 41 ARG 186 186 ARG ARG A . A 1 42 PRO 187 187 PRO PRO A . A 1 43 LEU 188 188 LEU LEU A . A 1 44 ILE 189 189 ILE ILE A . A 1 45 ALA 190 190 ALA ALA A . A 1 46 ALA 191 191 ALA ALA A . A 1 47 LYS 192 192 LYS LYS A . A 1 48 ASN 193 193 ASN ASN A . A 1 49 PRO 194 194 PRO PRO A . A 1 50 LYS 195 195 LYS LYS A . A 1 51 ILE 196 196 ILE ILE A . A 1 52 ALA 197 197 ALA ALA A . A 1 53 VAL 198 198 VAL VAL A . A 1 54 SER 199 199 SER SER A . A 1 55 LYS 200 200 LYS LYS A . A 1 56 MET 201 201 MET MET A . A 1 57 MET 202 202 MET MET A . A 1 58 MET 203 203 MET MET A . A 1 59 VAL 204 204 VAL VAL A . A 1 60 LEU 205 205 LEU LEU A . A 1 61 GLY 206 206 GLY GLY A . A 1 62 ALA 207 207 ALA ALA A . A 1 63 LYS 208 208 LYS LYS A . A 1 64 TRP 209 209 TRP TRP A . A 1 65 ARG 210 210 ARG ARG A . A 1 66 GLU 211 211 GLU GLU A . A 1 67 PHE 212 212 PHE PHE A . A 1 68 SER 213 213 SER SER A . A 1 69 THR 214 214 THR THR A . A 1 70 ASN 215 215 ASN ASN A . A 1 71 ASN 216 216 ASN ASN A . A 1 72 PRO 217 217 PRO PRO A . A 1 73 PHE 218 218 PHE PHE A . A 1 74 LYS 219 219 LYS LYS A . A 1 75 GLY 220 220 GLY GLY A . A 1 76 SER 221 221 SER SER A . A 1 77 SER 222 222 SER SER A . A 1 78 GLY 223 223 GLY GLY A . B 2 1 GLN 1181 1181 GLN GLN B . B 2 2 GLU 1182 1182 GLU GLU B . B 2 3 GLU 1183 1183 GLU GLU B . B 2 4 GLU 1184 1184 GLU GLU B . B 2 5 GLU 1185 1185 GLU GLU B . B 2 6 GLU 1186 1186 GLU GLU B . B 2 7 GLU 1187 1187 GLU GLU B . B 2 8 GLU 1188 1188 GLU GLU B . B 2 9 ALA 1189 1189 ALA ALA B . B 2 10 ALA 1190 1190 ALA ALA B . B 2 11 ALA 1191 1191 ALA ALA B . B 2 12 ALA 1192 1192 ALA ALA B . B 2 13 GLU 1193 1193 GLU GLU B . B 2 14 MET 1194 1194 MET MET B . B 2 15 ALA 1195 1195 ALA ALA B . B 2 16 VAL 1196 1196 VAL VAL B . B 2 17 GLU 1197 1197 GLU GLU B . B 2 18 VAL 1198 1198 VAL VAL B . B 2 19 ALA 1199 1199 ALA ALA B . B 2 20 GLU 1200 1200 GLU GLU B . B 2 21 PRO 1201 1201 PRO PRO B . B 2 22 GLU 1202 1202 GLU GLU B . B 2 23 GLU 1203 1203 GLU GLU B . B 2 24 GLY 1204 1204 GLY GLY B . B 2 25 SER 1205 1205 SER SER B . B 2 26 GLY 1206 1206 GLY GLY B . B 2 27 GLU 1207 1207 GLU GLU B . B 2 28 GLU 1208 1208 GLU GLU B . B 2 29 VAL 1209 1209 VAL VAL B . B 2 30 PRO 1210 1210 PRO PRO B . B 2 31 MET 1211 1211 MET MET B . B 2 32 GLU 1212 1212 GLU GLU B . B 2 33 THR 1213 1213 THR THR B . B 2 34 ARG 1214 1214 ARG ARG B . B 2 35 GLU 1215 1215 GLU GLU B . B 2 36 ASN 1216 1216 ASN ASN B . B 2 37 GLY 1217 1217 GLY GLY B . B 2 38 LEU 1218 1218 LEU LEU B . B 2 39 GLU 1219 1219 GLU GLU B . B 2 40 GLU 1220 1220 GLU GLU B . B 2 41 CYS 1221 1221 CYS CYS B . B 2 42 ALA 1222 1222 ALA ALA B . B 2 43 GLY 1223 1223 GLY GLY B . B 2 44 GLU 1224 1224 GLU GLU B . B 2 45 PRO 1225 1225 PRO PRO B . B 2 46 LEU 1226 1226 LEU LEU B . B 2 47 SER 1227 1227 SER SER B . B 2 48 ALA 1228 1228 ALA ALA B . B 2 49 ASP 1229 1229 ASP ASP B . B 2 50 PRO 1230 1230 PRO PRO B . B 2 51 GLU 1231 1231 GLU GLU B . B 2 52 ALA 1232 1232 ALA ALA B . B 2 53 ARG 1233 1233 ARG ARG B . B 2 54 ARG 1234 1234 ARG ARG B . B 2 55 LEU 1235 1235 LEU LEU B . B 2 56 LEU 1236 1236 LEU LEU B . B 2 57 GLY 1237 1237 GLY GLY B . B 2 58 PRO 1238 1238 PRO PRO B . B 2 59 ALA 1239 1239 ALA ALA B . B 2 60 PRO 1240 1240 PRO PRO B . B 2 61 GLU 1241 1241 GLU GLU B . B 2 62 ASP 1242 1242 ASP ASP B . B 2 63 ASP 1243 1243 ASP ASP B . B 2 64 GLY 1244 1244 GLY GLY B . B 2 65 GLY 1245 1245 GLY GLY B . B 2 66 HIS 1246 1246 HIS HIS B . B 2 67 ASN 1247 1247 ASN ASN B . B 2 68 ASP 1248 1248 ASP ASP B . B 2 69 HIS 1249 1249 HIS HIS B . B 2 70 SER 1250 1250 SER SER B . B 2 71 GLN 1251 1251 GLN GLN B . B 2 72 PRO 1252 1252 PRO PRO B . B 2 73 GLN 1253 1253 GLN GLN B . B 2 74 ALA 1254 1254 ALA ALA B . B 2 75 SER 1255 1255 SER SER B . B 2 76 GLN 1256 1256 GLN GLN B . B 2 77 ASP 1257 1257 ASP ASP B . B 2 78 GLN 1258 1258 GLN GLN B . B 2 79 ASP 1259 1259 ASP ASP B . B 2 80 SER 1260 1260 SER SER B . B 2 81 HIS 1261 1261 HIS HIS B . B 2 82 THR 1262 1262 THR THR B . B 2 83 LEU 1263 1263 LEU LEU B . B 2 84 SER 1264 1264 SER SER B . B 2 85 PRO 1265 1265 PRO PRO B . B 2 86 GLN 1266 1266 GLN GLN B . B 2 87 VAL 1267 1267 VAL VAL B . loop_ _ma_data.id _ma_data.name _ma_data.content_type 1 'Homo sapiens (Human) CHD4 (Q14839; 146 - 223)' target 2 'Homo sapiens (Human) ZNF592 (Q92610; 1181 - 1267)' target 3 'Model 3' 'model coordinates' 4 'Paired MSA for the dimer' 'coevolution MSA' loop_ _ma_data_group.ordinal_id _ma_data_group.group_id _ma_data_group.data_id 1 1 1 2 1 2 3 2 1 4 2 2 5 2 4 6 3 4 7 4 3 loop_ _ma_target_entity.entity_id _ma_target_entity.data_id _ma_target_entity.origin 1 1 'reference database' 2 2 'reference database' loop_ _ma_target_entity_instance.asym_id _ma_target_entity_instance.entity_id _ma_target_entity_instance.details A 1 . B 2 . loop_ _ma_protocol_step.ordinal_id _ma_protocol_step.protocol_id _ma_protocol_step.step_id _ma_protocol_step.method_type _ma_protocol_step.step_name _ma_protocol_step.details _ma_protocol_step.software_group_id _ma_protocol_step.input_data_group_id _ma_protocol_step.output_data_group_id 1 1 1 'coevolution MSA' . 'Create paired MSAs for the dimers' . 1 3 2 1 2 modeling . "Model using AlphaFold ('model 3' parameters; pTM monomer version) with a 200 residue gap between the two chains, without templates and without model relaxation" 1 2 4 loop_ _ma_model_list.ordinal_id _ma_model_list.model_id _ma_model_list.model_group_id _ma_model_list.model_name _ma_model_list.model_group_name _ma_model_list.data_id _ma_model_list.model_type _ma_model_list.model_type_other_details 1 1 1 'Model 3' . 3 'Ab initio model' . loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_seq_id _atom_site.auth_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.label_asym_id _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.label_entity_id _atom_site.auth_asym_id _atom_site.B_iso_or_equiv _atom_site.pdbx_PDB_model_num ATOM 1 N N . LYS 1 146 ? A 12.772 16.605 -2.042 1.000 1 A 70.684 1 ATOM 2 C CA . LYS 1 146 ? A 12.178 15.964 -0.872 1.000 1 A 70.684 1 ATOM 3 C C . LYS 1 146 ? A 11.544 14.626 -1.241 1.000 1 A 70.684 1 ATOM 4 O O . LYS 1 146 ? A 10.800 14.534 -2.219 1.000 1 A 70.684 1 ATOM 5 C CB . LYS 1 146 ? A 11.134 16.879 -0.230 1.000 1 A 70.684 1 ATOM 6 C CG . LYS 1 146 ? A 11.718 17.904 0.732 1.000 1 A 70.684 1 ATOM 7 C CD . LYS 1 146 ? A 10.723 19.018 1.033 1.000 1 A 70.684 1 ATOM 8 C CE . LYS 1 146 ? A 11.071 19.745 2.324 1.000 1 A 70.684 1 ATOM 9 N NZ . LYS 1 146 ? A 10.103 20.844 2.619 1.000 1 A 70.684 1 ATOM 10 N N . GLU 2 147 ? A 12.221 13.512 -1.035 1.000 1 A 81.248 1 ATOM 11 C CA . GLU 2 147 ? A 11.735 12.148 -1.216 1.000 1 A 81.248 1 ATOM 12 C C . GLU 2 147 ? A 10.332 11.981 -0.639 1.000 1 A 81.248 1 ATOM 13 O O . GLU 2 147 ? A 10.040 12.477 0.451 1.000 1 A 81.248 1 ATOM 14 C CB . GLU 2 147 ? A 12.693 11.145 -0.566 1.000 1 A 81.248 1 ATOM 15 C CG . GLU 2 147 ? A 14.074 11.112 -1.205 1.000 1 A 81.248 1 ATOM 16 C CD . GLU 2 147 ? A 15.052 10.209 -0.471 1.000 1 A 81.248 1 ATOM 17 O OE1 . GLU 2 147 ? A 15.268 9.059 -0.916 1.000 1 A 81.248 1 ATOM 18 O OE2 . GLU 2 147 ? A 15.606 10.655 0.558 1.000 1 A 81.248 1 ATOM 19 N N . PRO 3 148 ? A 9.380 11.453 -1.574 1.000 1 A 86.951 1 ATOM 20 C CA . PRO 3 148 ? A 8.036 11.230 -1.037 1.000 1 A 86.951 1 ATOM 21 C C . PRO 3 148 ? A 8.042 10.394 0.242 1.000 1 A 86.951 1 ATOM 22 O O . PRO 3 148 ? A 8.962 9.603 0.461 1.000 1 A 86.951 1 ATOM 23 C CB . PRO 3 148 ? A 7.322 10.488 -2.170 1.000 1 A 86.951 1 ATOM 24 C CG . PRO 3 148 ? A 8.422 9.895 -2.990 1.000 1 A 86.951 1 ATOM 25 C CD . PRO 3 148 ? A 9.651 10.741 -2.823 1.000 1 A 86.951 1 ATOM 26 N N . LYS 4 149 ? A 7.204 10.754 1.180 1.000 1 A 93.021 1 ATOM 27 C CA . LYS 4 149 ? A 7.100 10.028 2.443 1.000 1 A 93.021 1 ATOM 28 C C . LYS 4 149 ? A 6.767 8.558 2.207 1.000 1 A 93.021 1 ATOM 29 O O . LYS 4 149 ? A 5.961 8.231 1.333 1.000 1 A 93.021 1 ATOM 30 C CB . LYS 4 149 ? A 6.041 10.667 3.343 1.000 1 A 93.021 1 ATOM 31 C CG . LYS 4 149 ? A 6.393 12.071 3.813 1.000 1 A 93.021 1 ATOM 32 C CD . LYS 4 149 ? A 5.275 12.676 4.652 1.000 1 A 93.021 1 ATOM 33 C CE . LYS 4 149 ? A 4.146 13.210 3.781 1.000 1 A 93.021 1 ATOM 34 N NZ . LYS 4 149 ? A 2.937 13.551 4.589 1.000 1 A 93.021 1 ATOM 35 N N . SER 5 150 ? A 7.458 7.770 2.855 1.000 1 A 94.493 1 ATOM 36 C CA . SER 5 150 ? A 7.194 6.336 2.805 1.000 1 A 94.493 1 ATOM 37 C C . SER 5 150 ? A 5.923 5.980 3.567 1.000 1 A 94.493 1 ATOM 38 O O . SER 5 150 ? A 5.419 6.784 4.355 1.000 1 A 94.493 1 ATOM 39 C CB . SER 5 150 ? A 8.377 5.553 3.376 1.000 1 A 94.493 1 ATOM 40 O OG . SER 5 150 ? A 8.077 4.169 3.447 1.000 1 A 94.493 1 ATOM 41 N N . SER 6 151 ? A 5.350 4.892 3.216 1.000 1 A 94.888 1 ATOM 42 C CA . SER 6 151 ? A 4.141 4.435 3.893 1.000 1 A 94.888 1 ATOM 43 C C . SER 6 151 ? A 4.341 4.382 5.404 1.000 1 A 94.888 1 ATOM 44 O O . SER 6 151 ? A 3.440 4.737 6.168 1.000 1 A 94.888 1 ATOM 45 C CB . SER 6 151 ? A 3.724 3.057 3.377 1.000 1 A 94.888 1 ATOM 46 O OG . SER 6 151 ? A 4.726 2.093 3.653 1.000 1 A 94.888 1 ATOM 47 N N . ALA 7 152 ? A 5.464 3.981 5.905 1.000 1 A 95.131 1 ATOM 48 C CA . ALA 7 152 ? A 5.777 3.901 7.329 1.000 1 A 95.131 1 ATOM 49 C C . ALA 7 152 ? A 5.770 5.285 7.971 1.000 1 A 95.131 1 ATOM 50 O O . ALA 7 152 ? A 5.275 5.456 9.088 1.000 1 A 95.131 1 ATOM 51 C CB . ALA 7 152 ? A 7.131 3.227 7.539 1.000 1 A 95.131 1 ATOM 52 N N . GLN 8 153 ? A 6.343 6.219 7.197 1.000 1 A 96.724 1 ATOM 53 C CA . GLN 8 153 ? A 6.383 7.595 7.681 1.000 1 A 96.724 1 ATOM 54 C C . GLN 8 153 ? A 4.977 8.176 7.804 1.000 1 A 96.724 1 ATOM 55 O O . GLN 8 153 ? A 4.679 8.896 8.759 1.000 1 A 96.724 1 ATOM 56 C CB . GLN 8 153 ? A 7.231 8.467 6.753 1.000 1 A 96.724 1 ATOM 57 C CG . GLN 8 153 ? A 8.718 8.140 6.792 1.000 1 A 96.724 1 ATOM 58 C CD . GLN 8 153 ? A 9.545 9.065 5.918 1.000 1 A 96.724 1 ATOM 59 O OE1 . GLN 8 153 ? A 9.259 9.238 4.729 1.000 1 A 96.724 1 ATOM 60 N NE2 . GLN 8 153 ? A 10.577 9.665 6.501 1.000 1 A 96.724 1 ATOM 61 N N . LEU 9 154 ? A 4.130 7.893 6.813 1.000 1 A 96.054 1 ATOM 62 C CA . LEU 9 154 ? A 2.747 8.357 6.834 1.000 1 A 96.054 1 ATOM 63 C C . LEU 9 154 ? A 2.010 7.814 8.054 1.000 1 A 96.054 1 ATOM 64 O O . LEU 9 154 ? A 1.335 8.566 8.762 1.000 1 A 96.054 1 ATOM 65 C CB . LEU 9 154 ? A 2.020 7.934 5.555 1.000 1 A 96.054 1 ATOM 66 C CG . LEU 9 154 ? A 2.415 8.672 4.275 1.000 1 A 96.054 1 ATOM 67 C CD1 . LEU 9 154 ? A 1.827 7.970 3.055 1.000 1 A 96.054 1 ATOM 68 C CD2 . LEU 9 154 ? A 1.960 10.126 4.333 1.000 1 A 96.054 1 ATOM 69 N N . LEU 10 155 ? A 2.239 6.549 8.317 1.000 1 A 96.575 1 ATOM 70 C CA . LEU 10 155 ? A 1.571 5.920 9.452 1.000 1 A 96.575 1 ATOM 71 C C . LEU 10 155 ? A 2.089 6.487 10.770 1.000 1 A 96.575 1 ATOM 72 O O . LEU 10 155 ? A 1.311 6.721 11.698 1.000 1 A 96.575 1 ATOM 73 C CB . LEU 10 155 ? A 1.775 4.403 9.421 1.000 1 A 96.575 1 ATOM 74 C CG . LEU 10 155 ? A 0.968 3.632 8.375 1.000 1 A 96.575 1 ATOM 75 C CD1 . LEU 10 155 ? A 1.507 2.213 8.230 1.000 1 A 96.575 1 ATOM 76 C CD2 . LEU 10 155 ? A -0.510 3.613 8.747 1.000 1 A 96.575 1 ATOM 77 N N . GLU 11 156 ? A 3.298 6.711 10.817 1.000 1 A 96.533 1 ATOM 78 C CA . GLU 11 156 ? A 3.895 7.307 12.009 1.000 1 A 96.533 1 ATOM 79 C C . GLU 11 156 ? A 3.358 8.715 12.250 1.000 1 A 96.533 1 ATOM 80 O O . GLU 11 156 ? A 3.078 9.092 13.389 1.000 1 A 96.533 1 ATOM 81 C CB . GLU 11 156 ? A 5.420 7.339 11.888 1.000 1 A 96.533 1 ATOM 82 C CG . GLU 11 156 ? A 6.125 7.866 13.130 1.000 1 A 96.533 1 ATOM 83 C CD . GLU 11 156 ? A 7.639 7.896 12.994 1.000 1 A 96.533 1 ATOM 84 O OE1 . GLU 11 156 ? A 8.333 7.216 13.782 1.000 1 A 96.533 1 ATOM 85 O OE2 . GLU 11 156 ? A 8.134 8.607 12.091 1.000 1 A 96.533 1 ATOM 86 N N . ASP 12 157 ? A 3.209 9.504 11.203 1.000 1 A 96.853 1 ATOM 87 C CA . ASP 12 157 ? A 2.686 10.864 11.279 1.000 1 A 96.853 1 ATOM 88 C C . ASP 12 157 ? A 1.254 10.874 11.810 1.000 1 A 96.853 1 ATOM 89 O O . ASP 12 157 ? A 0.853 11.805 12.511 1.000 1 A 96.853 1 ATOM 90 C CB . ASP 12 157 ? A 2.743 11.538 9.906 1.000 1 A 96.853 1 ATOM 91 C CG . ASP 12 157 ? A 2.520 13.039 9.972 1.000 1 A 96.853 1 ATOM 92 O OD1 . ASP 12 157 ? A 3.362 13.755 10.557 1.000 1 A 96.853 1 ATOM 93 O OD2 . ASP 12 157 ? A 1.493 13.509 9.438 1.000 1 A 96.853 1 ATOM 94 N N . TRP 13 158 ? A 0.576 9.806 11.571 1.000 1 A 96.176 1 ATOM 95 C CA . TRP 13 158 ? A -0.819 9.693 11.986 1.000 1 A 96.176 1 ATOM 96 C C . TRP 13 158 ? A -0.933 8.957 13.316 1.000 1 A 96.176 1 ATOM 97 O O . TRP 13 158 ? A -2.032 8.798 13.853 1.000 1 A 96.176 1 ATOM 98 C CB . TRP 13 158 ? A -1.642 8.970 10.916 1.000 1 A 96.176 1 ATOM 99 C CG . TRP 13 158 ? A -1.699 9.690 9.602 1.000 1 A 96.176 1 ATOM 100 C CD1 . TRP 13 158 ? A -1.612 11.039 9.397 1.000 1 A 96.176 1 ATOM 101 C CD2 . TRP 13 158 ? A -1.861 9.097 8.310 1.000 1 A 96.176 1 ATOM 102 N NE1 . TRP 13 158 ? A -1.709 11.320 8.054 1.000 1 A 96.176 1 ATOM 103 C CE2 . TRP 13 158 ? A -1.863 10.147 7.365 1.000 1 A 96.176 1 ATOM 104 C CE3 . TRP 13 158 ? A -2.005 7.778 7.858 1.000 1 A 96.176 1 ATOM 105 C CZ2 . TRP 13 158 ? A -2.003 9.918 5.994 1.000 1 A 96.176 1 ATOM 106 C CZ3 . TRP 13 158 ? A -2.144 7.552 6.494 1.000 1 A 96.176 1 ATOM 107 C CH2 . TRP 13 158 ? A -2.142 8.619 5.580 1.000 1 A 96.176 1 ATOM 108 N N . GLY 14 159 ? A 0.169 8.474 13.833 1.000 1 A 96.243 1 ATOM 109 C CA . GLY 14 159 ? A 0.156 7.732 15.084 1.000 1 A 96.243 1 ATOM 110 C C . GLY 14 159 ? A -0.383 6.322 14.936 1.000 1 A 96.243 1 ATOM 111 O O . GLY 14 159 ? A -1.071 5.818 15.826 1.000 1 A 96.243 1 ATOM 112 N N . MET 15 160 ? A -0.179 5.724 13.738 1.000 1 A 96.581 1 ATOM 113 C CA . MET 15 160 ? A -0.619 4.369 13.420 1.000 1 A 96.581 1 ATOM 114 C C . MET 15 160 ? A 0.573 3.428 13.281 1.000 1 A 96.581 1 ATOM 115 O O . MET 15 160 ? A 1.714 3.878 13.163 1.000 1 A 96.581 1 ATOM 116 C CB . MET 15 160 ? A -1.445 4.360 12.132 1.000 1 A 96.581 1 ATOM 117 C CG . MET 15 160 ? A -2.739 5.152 12.228 1.000 1 A 96.581 1 ATOM 118 S SD . MET 15 160 ? A -3.686 5.146 10.657 1.000 1 A 96.581 1 ATOM 119 C CE . MET 15 160 ? A -4.982 6.350 11.059 1.000 1 A 96.581 1 ATOM 120 N N . GLU 16 161 ? A 0.360 2.233 13.480 1.000 1 A 97.017 1 ATOM 121 C CA . GLU 16 161 ? A 1.413 1.222 13.464 1.000 1 A 97.017 1 ATOM 122 C C . GLU 16 161 ? A 1.605 0.647 12.063 1.000 1 A 97.017 1 ATOM 123 O O . GLU 16 161 ? A 0.631 0.328 11.379 1.000 1 A 97.017 1 ATOM 124 C CB . GLU 16 161 ? A 1.096 0.099 14.454 1.000 1 A 97.017 1 ATOM 125 C CG . GLU 16 161 ? A 2.247 -0.872 14.673 1.000 1 A 97.017 1 ATOM 126 C CD . GLU 16 161 ? A 2.004 -1.842 15.818 1.000 1 A 97.017 1 ATOM 127 O OE1 . GLU 16 161 ? A 1.274 -2.841 15.622 1.000 1 A 97.017 1 ATOM 128 O OE2 . GLU 16 161 ? A 2.547 -1.602 16.919 1.000 1 A 97.017 1 ATOM 129 N N . ASP 17 162 ? A 2.889 0.574 11.618 1.000 1 A 96.499 1 ATOM 130 C CA . ASP 17 162 ? A 3.227 -0.021 10.329 1.000 1 A 96.499 1 ATOM 131 C C . ASP 17 162 ? A 3.117 -1.543 10.382 1.000 1 A 96.499 1 ATOM 132 O O . ASP 17 162 ? A 3.234 -2.143 11.453 1.000 1 A 96.499 1 ATOM 133 C CB . ASP 17 162 ? A 4.637 0.390 9.901 1.000 1 A 96.499 1 ATOM 134 C CG . ASP 17 162 ? A 4.957 0.009 8.467 1.000 1 A 96.499 1 ATOM 135 O OD1 . ASP 17 162 ? A 4.409 0.634 7.533 1.000 1 A 96.499 1 ATOM 136 O OD2 . ASP 17 162 ? A 5.761 -0.927 8.268 1.000 1 A 96.499 1 ATOM 137 N N . ILE 18 163 ? A 2.919 -2.167 9.175 1.000 1 A 95.229 1 ATOM 138 C CA . ILE 18 163 ? A 2.861 -3.623 9.101 1.000 1 A 95.229 1 ATOM 139 C C . ILE 18 163 ? A 4.258 -4.205 9.308 1.000 1 A 95.229 1 ATOM 140 O O . ILE 18 163 ? A 5.260 -3.554 9.004 1.000 1 A 95.229 1 ATOM 141 C CB . ILE 18 163 ? A 2.276 -4.098 7.752 1.000 1 A 95.229 1 ATOM 142 C CG1 . ILE 18 163 ? A 3.167 -3.638 6.593 1.000 1 A 95.229 1 ATOM 143 C CG2 . ILE 18 163 ? A 0.843 -3.589 7.576 1.000 1 A 95.229 1 ATOM 144 C CD1 . ILE 18 163 ? A 2.778 -4.225 5.243 1.000 1 A 95.229 1 ATOM 145 N N . ASP 19 164 ? A 4.239 -5.317 9.954 1.000 1 A 93.273 1 ATOM 146 C CA . ASP 19 164 ? A 5.496 -6.012 10.213 1.000 1 A 93.273 1 ATOM 147 C C . ASP 19 164 ? A 5.791 -7.040 9.122 1.000 1 A 93.273 1 ATOM 148 O O . ASP 19 164 ? A 5.720 -8.246 9.363 1.000 1 A 93.273 1 ATOM 149 C CB . ASP 19 164 ? A 5.461 -6.694 11.582 1.000 1 A 93.273 1 ATOM 150 C CG . ASP 19 164 ? A 6.832 -7.146 12.055 1.000 1 A 93.273 1 ATOM 151 O OD1 . ASP 19 164 ? A 7.844 -6.808 11.403 1.000 1 A 93.273 1 ATOM 152 O OD2 . ASP 19 164 ? A 6.900 -7.848 13.087 1.000 1 A 93.273 1 ATOM 153 N N . HIS 20 165 ? A 5.725 -6.580 7.871 1.000 1 A 94.204 1 ATOM 154 C CA . HIS 20 165 ? A 5.992 -7.479 6.754 1.000 1 A 94.204 1 ATOM 155 C C . HIS 20 165 ? A 7.168 -6.986 5.919 1.000 1 A 94.204 1 ATOM 156 O O . HIS 20 165 ? A 7.161 -5.850 5.439 1.000 1 A 94.204 1 ATOM 157 C CB . HIS 20 165 ? A 4.748 -7.624 5.875 1.000 1 A 94.204 1 ATOM 158 C CG . HIS 20 165 ? A 4.923 -8.585 4.742 1.000 1 A 94.204 1 ATOM 159 N ND1 . HIS 20 165 ? A 4.968 -9.950 4.924 1.000 1 A 94.204 1 ATOM 160 C CD2 . HIS 20 165 ? A 5.061 -8.374 3.412 1.000 1 A 94.204 1 ATOM 161 C CE1 . HIS 20 165 ? A 5.128 -10.539 3.751 1.000 1 A 94.204 1 ATOM 162 N NE2 . HIS 20 165 ? A 5.187 -9.605 2.817 1.000 1 A 94.204 1 ATOM 163 N N . VAL 21 166 ? A 8.130 -7.899 5.823 1.000 1 A 92.811 1 ATOM 164 C CA . VAL 21 166 ? A 9.259 -7.642 4.935 1.000 1 A 92.811 1 ATOM 165 C C . VAL 21 166 ? A 9.037 -8.348 3.599 1.000 1 A 92.811 1 ATOM 166 O O . VAL 21 166 ? A 8.887 -9.571 3.554 1.000 1 A 92.811 1 ATOM 167 C CB . VAL 21 166 ? A 10.593 -8.101 5.565 1.000 1 A 92.811 1 ATOM 168 C CG1 . VAL 21 166 ? A 11.758 -7.840 4.613 1.000 1 A 92.811 1 ATOM 169 C CG2 . VAL 21 166 ? A 10.822 -7.396 6.901 1.000 1 A 92.811 1 ATOM 170 N N . PHE 22 167 ? A 9.012 -7.581 2.434 1.000 1 A 93.317 1 ATOM 171 C CA . PHE 22 167 ? A 8.741 -8.134 1.112 1.000 1 A 93.317 1 ATOM 172 C C . PHE 22 167 ? A 9.903 -8.996 0.637 1.000 1 A 93.317 1 ATOM 173 O O . PHE 22 167 ? A 11.043 -8.531 0.574 1.000 1 A 93.317 1 ATOM 174 C CB . PHE 22 167 ? A 8.473 -7.012 0.104 1.000 1 A 93.317 1 ATOM 175 C CG . PHE 22 167 ? A 7.194 -6.260 0.357 1.000 1 A 93.317 1 ATOM 176 C CD1 . PHE 22 167 ? A 5.963 -6.836 0.066 1.000 1 A 93.317 1 ATOM 177 C CD2 . PHE 22 167 ? A 7.222 -4.977 0.887 1.000 1 A 93.317 1 ATOM 178 C CE1 . PHE 22 167 ? A 4.778 -6.143 0.300 1.000 1 A 93.317 1 ATOM 179 C CE2 . PHE 22 167 ? A 6.042 -4.278 1.124 1.000 1 A 93.317 1 ATOM 180 C CZ . PHE 22 167 ? A 4.821 -4.862 0.828 1.000 1 A 93.317 1 ATOM 181 N N . SER 23 168 ? A 9.586 -10.299 0.396 1.000 1 A 94.932 1 ATOM 182 C CA . SER 23 168 ? A 10.565 -11.261 -0.102 1.000 1 A 94.932 1 ATOM 183 C C . SER 23 168 ? A 10.517 -11.362 -1.623 1.000 1 A 94.932 1 ATOM 184 O O . SER 23 168 ? A 9.665 -10.743 -2.264 1.000 1 A 94.932 1 ATOM 185 C CB . SER 23 168 ? A 10.326 -12.639 0.517 1.000 1 A 94.932 1 ATOM 186 O OG . SER 23 168 ? A 9.085 -13.174 0.088 1.000 1 A 94.932 1 ATOM 187 N N . GLU 24 169 ? A 11.490 -12.036 -2.229 1.000 1 A 93.343 1 ATOM 188 C CA . GLU 24 169 ? A 11.533 -12.265 -3.670 1.000 1 A 93.343 1 ATOM 189 C C . GLU 24 169 ? A 10.237 -12.899 -4.167 1.000 1 A 93.343 1 ATOM 190 O O . GLU 24 169 ? A 9.752 -12.567 -5.250 1.000 1 A 93.343 1 ATOM 191 C CB . GLU 24 169 ? A 12.726 -13.150 -4.039 1.000 1 A 93.343 1 ATOM 192 C CG . GLU 24 169 ? A 12.966 -13.266 -5.537 1.000 1 A 93.343 1 ATOM 193 C CD . GLU 24 169 ? A 14.192 -14.095 -5.886 1.000 1 A 93.343 1 ATOM 194 O OE1 . GLU 24 169 ? A 14.072 -15.336 -6.002 1.000 1 A 93.343 1 ATOM 195 O OE2 . GLU 24 169 ? A 15.281 -13.500 -6.045 1.000 1 A 93.343 1 ATOM 196 N N . GLU 25 170 ? A 9.741 -13.871 -3.354 1.000 1 A 94.670 1 ATOM 197 C CA . GLU 25 170 ? A 8.477 -14.518 -3.690 1.000 1 A 94.670 1 ATOM 198 C C . GLU 25 170 ? A 7.349 -13.498 -3.808 1.000 1 A 94.670 1 ATOM 199 O O . GLU 25 170 ? A 6.512 -13.591 -4.709 1.000 1 A 94.670 1 ATOM 200 C CB . GLU 25 170 ? A 8.120 -15.578 -2.644 1.000 1 A 94.670 1 ATOM 201 C CG . GLU 25 170 ? A 6.843 -16.344 -2.955 1.000 1 A 94.670 1 ATOM 202 C CD . GLU 25 170 ? A 6.569 -17.476 -1.978 1.000 1 A 94.670 1 ATOM 203 O OE1 . GLU 25 170 ? A 5.399 -17.653 -1.567 1.000 1 A 94.670 1 ATOM 204 O OE2 . GLU 25 170 ? A 7.531 -18.190 -1.619 1.000 1 A 94.670 1 ATOM 205 N N . ASP 26 171 ? A 7.320 -12.569 -2.901 1.000 1 A 95.221 1 ATOM 206 C CA . ASP 26 171 ? A 6.291 -11.536 -2.949 1.000 1 A 95.221 1 ATOM 207 C C . ASP 26 171 ? A 6.372 -10.739 -4.250 1.000 1 A 95.221 1 ATOM 208 O O . ASP 26 171 ? A 5.349 -10.457 -4.877 1.000 1 A 95.221 1 ATOM 209 C CB . ASP 26 171 ? A 6.417 -10.596 -1.748 1.000 1 A 95.221 1 ATOM 210 C CG . ASP 26 171 ? A 6.118 -11.281 -0.426 1.000 1 A 95.221 1 ATOM 211 O OD1 . ASP 26 171 ? A 5.265 -12.194 -0.391 1.000 1 A 95.221 1 ATOM 212 O OD2 . ASP 26 171 ? A 6.738 -10.902 0.591 1.000 1 A 95.221 1 ATOM 213 N N . TYR 27 172 ? A 7.577 -10.486 -4.657 1.000 1 A 94.209 1 ATOM 214 C CA . TYR 27 172 ? A 7.785 -9.725 -5.884 1.000 1 A 94.209 1 ATOM 215 C C . TYR 27 172 ? A 7.325 -10.518 -7.102 1.000 1 A 94.209 1 ATOM 216 O O . TYR 27 172 ? A 6.850 -9.941 -8.083 1.000 1 A 94.209 1 ATOM 217 C CB . TYR 27 172 ? A 9.260 -9.343 -6.037 1.000 1 A 94.209 1 ATOM 218 C CG . TYR 27 172 ? A 9.700 -8.238 -5.108 1.000 1 A 94.209 1 ATOM 219 C CD1 . TYR 27 172 ? A 9.307 -6.919 -5.328 1.000 1 A 94.209 1 ATOM 220 C CD2 . TYR 27 172 ? A 10.510 -8.509 -4.011 1.000 1 A 94.209 1 ATOM 221 C CE1 . TYR 27 172 ? A 9.712 -5.897 -4.476 1.000 1 A 94.209 1 ATOM 222 C CE2 . TYR 27 172 ? A 10.921 -7.494 -3.152 1.000 1 A 94.209 1 ATOM 223 C CZ . TYR 27 172 ? A 10.517 -6.194 -3.392 1.000 1 A 94.209 1 ATOM 224 O OH . TYR 27 172 ? A 10.921 -5.186 -2.546 1.000 1 A 94.209 1 ATOM 225 N N . ARG 28 173 ? A 7.354 -11.826 -7.034 1.000 1 A 92.829 1 ATOM 226 C CA . ARG 28 173 ? A 6.929 -12.694 -8.127 1.000 1 A 92.829 1 ATOM 227 C C . ARG 28 173 ? A 5.410 -12.813 -8.173 1.000 1 A 92.829 1 ATOM 228 O O . ARG 28 173 ? A 4.819 -12.876 -9.253 1.000 1 A 92.829 1 ATOM 229 C CB . ARG 28 173 ? A 7.560 -14.081 -7.988 1.000 1 A 92.829 1 ATOM 230 C CG . ARG 28 173 ? A 9.065 -14.099 -8.206 1.000 1 A 92.829 1 ATOM 231 C CD . ARG 28 173 ? A 9.422 -13.990 -9.682 1.000 1 A 92.829 1 ATOM 232 N NE . ARG 28 173 ? A 10.828 -14.307 -9.920 1.000 1 A 92.829 1 ATOM 233 C CZ . ARG 28 173 ? A 11.451 -14.155 -11.085 1.000 1 A 92.829 1 ATOM 234 N NH1 . ARG 28 173 ? A 10.803 -13.687 -12.146 1.000 1 A 92.829 1 ATOM 235 N NH2 . ARG 28 173 ? A 12.733 -14.474 -11.191 1.000 1 A 92.829 1 ATOM 236 N N . THR 29 174 ? A 4.783 -12.839 -6.985 1.000 1 A 94.156 1 ATOM 237 C CA . THR 29 174 ? A 3.351 -13.101 -6.900 1.000 1 A 94.156 1 ATOM 238 C C . THR 29 174 ? A 2.558 -11.798 -6.953 1.000 1 A 94.156 1 ATOM 239 O O . THR 29 174 ? A 1.476 -11.746 -7.542 1.000 1 A 94.156 1 ATOM 240 C CB . THR 29 174 ? A 2.998 -13.866 -5.611 1.000 1 A 94.156 1 ATOM 241 O OG1 . THR 29 174 ? A 3.455 -13.118 -4.478 1.000 1 A 94.156 1 ATOM 242 C CG2 . THR 29 174 ? A 3.653 -15.244 -5.593 1.000 1 A 94.156 1 ATOM 243 N N . LEU 30 175 ? A 2.974 -10.706 -6.299 1.000 1 A 94.599 1 ATOM 244 C CA . LEU 30 175 ? A 2.293 -9.418 -6.235 1.000 1 A 94.599 1 ATOM 245 C C . LEU 30 175 ? A 2.741 -8.509 -7.374 1.000 1 A 94.599 1 ATOM 246 O O . LEU 30 175 ? A 3.454 -7.529 -7.148 1.000 1 A 94.599 1 ATOM 247 C CB . LEU 30 175 ? A 2.558 -8.738 -4.889 1.000 1 A 94.599 1 ATOM 248 C CG . LEU 30 175 ? A 2.166 -9.530 -3.641 1.000 1 A 94.599 1 ATOM 249 C CD1 . LEU 30 175 ? A 2.543 -8.755 -2.382 1.000 1 A 94.599 1 ATOM 250 C CD2 . LEU 30 175 ? A 0.674 -9.846 -3.653 1.000 1 A 94.599 1 ATOM 251 N N . THR 31 176 ? A 2.293 -8.854 -8.637 1.000 1 A 91.889 1 ATOM 252 C CA . THR 31 176 ? A 2.813 -8.266 -9.866 1.000 1 A 91.889 1 ATOM 253 C C . THR 31 176 ? A 1.971 -7.066 -10.291 1.000 1 A 91.889 1 ATOM 254 O O . THR 31 176 ? A 2.332 -6.347 -11.224 1.000 1 A 91.889 1 ATOM 255 C CB . THR 31 176 ? A 2.851 -9.300 -11.007 1.000 1 A 91.889 1 ATOM 256 O OG1 . THR 31 176 ? A 1.546 -9.868 -11.172 1.000 1 A 91.889 1 ATOM 257 C CG2 . THR 31 176 ? A 3.845 -10.416 -10.705 1.000 1 A 91.889 1 ATOM 258 N N . ASN 32 177 ? A 0.790 -6.949 -9.725 1.000 1 A 92.370 1 ATOM 259 C CA . ASN 32 177 ? A -0.097 -5.836 -10.045 1.000 1 A 92.370 1 ATOM 260 C C . ASN 32 177 ? A -0.704 -5.223 -8.786 1.000 1 A 92.370 1 ATOM 261 O O . ASN 32 177 ? A -0.562 -5.772 -7.693 1.000 1 A 92.370 1 ATOM 262 C CB . ASN 32 177 ? A -1.203 -6.288 -11.001 1.000 1 A 92.370 1 ATOM 263 C CG . ASN 32 177 ? A -2.002 -7.458 -10.459 1.000 1 A 92.370 1 ATOM 264 O OD1 . ASN 32 177 ? A -2.897 -7.282 -9.628 1.000 1 A 92.370 1 ATOM 265 N ND2 . ASN 32 177 ? A -1.685 -8.659 -10.926 1.000 1 A 92.370 1 ATOM 266 N N . TYR 33 178 ? A -1.235 -4.087 -8.921 1.000 1 A 93.663 1 ATOM 267 C CA . TYR 33 178 ? A -1.762 -3.346 -7.781 1.000 1 A 93.663 1 ATOM 268 C C . TYR 33 178 ? A -2.919 -4.096 -7.131 1.000 1 A 93.663 1 ATOM 269 O O . TYR 33 178 ? A -3.044 -4.114 -5.904 1.000 1 A 93.663 1 ATOM 270 C CB . TYR 33 178 ? A -2.222 -1.950 -8.212 1.000 1 A 93.663 1 ATOM 271 C CG . TYR 33 178 ? A -2.701 -1.089 -7.069 1.000 1 A 93.663 1 ATOM 272 C CD1 . TYR 33 178 ? A -4.054 -0.800 -6.909 1.000 1 A 93.663 1 ATOM 273 C CD2 . TYR 33 178 ? A -1.802 -0.562 -6.148 1.000 1 A 93.663 1 ATOM 274 C CE1 . TYR 33 178 ? A -4.500 -0.005 -5.858 1.000 1 A 93.663 1 ATOM 275 C CE2 . TYR 33 178 ? A -2.237 0.235 -5.094 1.000 1 A 93.663 1 ATOM 276 C CZ . TYR 33 178 ? A -3.586 0.507 -4.957 1.000 1 A 93.663 1 ATOM 277 O OH . TYR 33 178 ? A -4.021 1.294 -3.915 1.000 1 A 93.663 1 ATOM 278 N N . LYS 34 179 ? A -3.671 -4.677 -7.895 1.000 1 A 94.841 1 ATOM 279 C CA . LYS 34 179 ? A -4.817 -5.423 -7.385 1.000 1 A 94.841 1 ATOM 280 C C . LYS 34 179 ? A -4.375 -6.515 -6.415 1.000 1 A 94.841 1 ATOM 281 O O . LYS 34 179 ? A -4.926 -6.639 -5.319 1.000 1 A 94.841 1 ATOM 282 C CB . LYS 34 179 ? A -5.615 -6.036 -8.536 1.000 1 A 94.841 1 ATOM 283 C CG . LYS 34 179 ? A -6.965 -6.602 -8.122 1.000 1 A 94.841 1 ATOM 284 C CD . LYS 34 179 ? A -7.733 -7.149 -9.318 1.000 1 A 94.841 1 ATOM 285 C CE . LYS 34 179 ? A -8.960 -7.939 -8.883 1.000 1 A 94.841 1 ATOM 286 N NZ . LYS 34 179 ? A -9.892 -8.188 -10.023 1.000 1 A 94.841 1 ATOM 287 N N . ALA 35 180 ? A -3.418 -7.347 -6.840 1.000 1 A 94.666 1 ATOM 288 C CA . ALA 35 180 ? A -2.882 -8.421 -6.007 1.000 1 A 94.666 1 ATOM 289 C C . ALA 35 180 ? A -2.187 -7.861 -4.770 1.000 1 A 94.666 1 ATOM 290 O O . ALA 35 180 ? A -2.345 -8.392 -3.668 1.000 1 A 94.666 1 ATOM 291 C CB . ALA 35 180 ? A -1.914 -9.286 -6.812 1.000 1 A 94.666 1 ATOM 292 N N . PHE 36 181 ? A -1.464 -6.819 -4.967 1.000 1 A 96.041 1 ATOM 293 C CA . PHE 36 181 ? A -0.747 -6.139 -3.894 1.000 1 A 96.041 1 ATOM 294 C C . PHE 36 181 ? A -1.716 -5.630 -2.833 1.000 1 A 96.041 1 ATOM 295 O O . PHE 36 181 ? A -1.528 -5.882 -1.642 1.000 1 A 96.041 1 ATOM 296 C CB . PHE 36 181 ? A 0.080 -4.976 -4.452 1.000 1 A 96.041 1 ATOM 297 C CG . PHE 36 181 ? A 0.718 -4.122 -3.390 1.000 1 A 96.041 1 ATOM 298 C CD1 . PHE 36 181 ? A 0.074 -2.988 -2.911 1.000 1 A 96.041 1 ATOM 299 C CD2 . PHE 36 181 ? A 1.963 -4.453 -2.872 1.000 1 A 96.041 1 ATOM 300 C CE1 . PHE 36 181 ? A 0.662 -2.195 -1.928 1.000 1 A 96.041 1 ATOM 301 C CE2 . PHE 36 181 ? A 2.558 -3.665 -1.890 1.000 1 A 96.041 1 ATOM 302 C CZ . PHE 36 181 ? A 1.906 -2.536 -1.420 1.000 1 A 96.041 1 ATOM 303 N N . SER 37 182 ? A -2.763 -4.931 -3.286 1.000 1 A 95.426 1 ATOM 304 C CA . SER 37 182 ? A -3.707 -4.329 -2.350 1.000 1 A 95.426 1 ATOM 305 C C . SER 37 182 ? A -4.472 -5.395 -1.574 1.000 1 A 95.426 1 ATOM 306 O O . SER 37 182 ? A -4.758 -5.222 -0.387 1.000 1 A 95.426 1 ATOM 307 C CB . SER 37 182 ? A -4.690 -3.421 -3.089 1.000 1 A 95.426 1 ATOM 308 O OG . SER 37 182 ? A -5.482 -4.169 -3.995 1.000 1 A 95.426 1 ATOM 309 N N . GLN 38 183 ? A -4.807 -6.420 -2.148 1.000 1 A 96.074 1 ATOM 310 C CA . GLN 38 183 ? A -5.516 -7.508 -1.482 1.000 1 A 96.074 1 ATOM 311 C C . GLN 38 183 ? A -4.674 -8.110 -0.362 1.000 1 A 96.074 1 ATOM 312 O O . GLN 38 183 ? A -5.211 -8.574 0.646 1.000 1 A 96.074 1 ATOM 313 C CB . GLN 38 183 ? A -5.903 -8.593 -2.489 1.000 1 A 96.074 1 ATOM 314 C CG . GLN 38 183 ? A -7.029 -8.185 -3.430 1.000 1 A 96.074 1 ATOM 315 C CD . GLN 38 183 ? A -8.358 -8.018 -2.717 1.000 1 A 96.074 1 ATOM 316 O OE1 . GLN 38 183 ? A -8.895 -8.972 -2.144 1.000 1 A 96.074 1 ATOM 317 N NE2 . GLN 38 183 ? A -8.899 -6.805 -2.747 1.000 1 A 96.074 1 ATOM 318 N N . PHE 39 184 ? A -3.424 -8.130 -0.579 1.000 1 A 96.416 1 ATOM 319 C CA . PHE 39 184 ? A -2.496 -8.695 0.393 1.000 1 A 96.416 1 ATOM 320 C C . PHE 39 184 ? A -2.198 -7.693 1.502 1.000 1 A 96.416 1 ATOM 321 O O . PHE 39 184 ? A -2.248 -8.036 2.685 1.000 1 A 96.416 1 ATOM 322 C CB . PHE 39 184 ? A -1.194 -9.124 -0.291 1.000 1 A 96.416 1 ATOM 323 C CG . PHE 39 184 ? A -0.143 -9.622 0.664 1.000 1 A 96.416 1 ATOM 324 C CD1 . PHE 39 184 ? A 0.985 -8.857 0.939 1.000 1 A 96.416 1 ATOM 325 C CD2 . PHE 39 184 ? A -0.282 -10.855 1.288 1.000 1 A 96.416 1 ATOM 326 C CE1 . PHE 39 184 ? A 1.959 -9.316 1.822 1.000 1 A 96.416 1 ATOM 327 C CE2 . PHE 39 184 ? A 0.688 -11.319 2.171 1.000 1 A 96.416 1 ATOM 328 C CZ . PHE 39 184 ? A 1.808 -10.549 2.436 1.000 1 A 96.416 1 ATOM 329 N N . VAL 40 185 ? A -1.910 -6.532 1.204 1.000 1 A 96.544 1 ATOM 330 C CA . VAL 40 185 ? A -1.366 -5.526 2.111 1.000 1 A 96.544 1 ATOM 331 C C . VAL 40 185 ? A -2.500 -4.878 2.903 1.000 1 A 96.544 1 ATOM 332 O O . VAL 40 185 ? A -2.346 -4.583 4.091 1.000 1 A 96.544 1 ATOM 333 C CB . VAL 40 185 ? A -0.564 -4.448 1.349 1.000 1 A 96.544 1 ATOM 334 C CG1 . VAL 40 185 ? A -0.155 -3.315 2.288 1.000 1 A 96.544 1 ATOM 335 C CG2 . VAL 40 185 ? A 0.665 -5.067 0.687 1.000 1 A 96.544 1 ATOM 336 N N . ARG 41 186 ? A -3.582 -4.719 2.295 1.000 1 A 95.631 1 ATOM 337 C CA . ARG 41 186 ? A -4.700 -4.034 2.935 1.000 1 A 95.631 1 ATOM 338 C C . ARG 41 186 ? A -5.082 -4.714 4.245 1.000 1 A 95.631 1 ATOM 339 O O . ARG 41 186 ? A -5.173 -4.062 5.287 1.000 1 A 95.631 1 ATOM 340 C CB . ARG 41 186 ? A -5.909 -3.985 1.998 1.000 1 A 95.631 1 ATOM 341 C CG . ARG 41 186 ? A -7.107 -3.248 2.575 1.000 1 A 95.631 1 ATOM 342 C CD . ARG 41 186 ? A -8.278 -3.227 1.603 1.000 1 A 95.631 1 ATOM 343 N NE . ARG 41 186 ? A -9.454 -2.589 2.189 1.000 1 A 95.631 1 ATOM 344 C CZ . ARG 41 186 ? A -10.619 -2.431 1.567 1.000 1 A 95.631 1 ATOM 345 N NH1 . ARG 41 186 ? A -10.788 -2.863 0.323 1.000 1 A 95.631 1 ATOM 346 N NH2 . ARG 41 186 ? A -11.623 -1.836 2.194 1.000 1 A 95.631 1 ATOM 347 N N . PRO 42 187 ? A -5.379 -6.042 4.219 1.000 1 A 96.854 1 ATOM 348 C CA . PRO 42 187 ? A -5.716 -6.704 5.482 1.000 1 A 96.854 1 ATOM 349 C C . PRO 42 187 ? A -4.601 -6.595 6.520 1.000 1 A 96.854 1 ATOM 350 O O . PRO 42 187 ? A -4.876 -6.537 7.722 1.000 1 A 96.854 1 ATOM 351 C CB . PRO 42 187 ? A -5.935 -8.162 5.068 1.000 1 A 96.854 1 ATOM 352 C CG . PRO 42 187 ? A -6.230 -8.103 3.604 1.000 1 A 96.854 1 ATOM 353 C CD . PRO 42 187 ? A -5.543 -6.898 3.027 1.000 1 A 96.854 1 ATOM 354 N N . LEU 43 188 ? A -3.403 -6.450 6.097 1.000 1 A 97.246 1 ATOM 355 C CA . LEU 43 188 ? A -2.292 -6.340 7.036 1.000 1 A 97.246 1 ATOM 356 C C . LEU 43 188 ? A -2.301 -4.984 7.733 1.000 1 A 97.246 1 ATOM 357 O O . LEU 43 188 ? A -2.094 -4.903 8.946 1.000 1 A 97.246 1 ATOM 358 C CB . LEU 43 188 ? A -0.958 -6.547 6.314 1.000 1 A 97.246 1 ATOM 359 C CG . LEU 43 188 ? A -0.732 -7.925 5.688 1.000 1 A 97.246 1 ATOM 360 C CD1 . LEU 43 188 ? A 0.683 -8.027 5.128 1.000 1 A 97.246 1 ATOM 361 C CD2 . LEU 43 188 ? A -0.989 -9.026 6.711 1.000 1 A 97.246 1 ATOM 362 N N . ILE 44 189 ? A -2.598 -3.992 7.001 1.000 1 A 96.625 1 ATOM 363 C CA . ILE 44 189 ? A -2.672 -2.643 7.553 1.000 1 A 96.625 1 ATOM 364 C C . ILE 44 189 ? A -3.885 -2.529 8.473 1.000 1 A 96.625 1 ATOM 365 O O . ILE 44 189 ? A -3.786 -1.988 9.577 1.000 1 A 96.625 1 ATOM 366 C CB . ILE 44 189 ? A -2.745 -1.578 6.436 1.000 1 A 96.625 1 ATOM 367 C CG1 . ILE 44 189 ? A -1.453 -1.581 5.610 1.000 1 A 96.625 1 ATOM 368 C CG2 . ILE 44 189 ? A -3.013 -0.192 7.028 1.000 1 A 96.625 1 ATOM 369 C CD1 . ILE 44 189 ? A -1.531 -0.754 4.335 1.000 1 A 96.625 1 ATOM 370 N N . ALA 45 190 ? A -5.006 -3.039 8.047 1.000 1 A 96.262 1 ATOM 371 C CA . ALA 45 190 ? A -6.249 -2.962 8.811 1.000 1 A 96.262 1 ATOM 372 C C . ALA 45 190 ? A -6.134 -3.731 10.124 1.000 1 A 96.262 1 ATOM 373 O O . ALA 45 190 ? A -6.762 -3.366 11.121 1.000 1 A 96.262 1 ATOM 374 C CB . ALA 45 190 ? A -7.415 -3.498 7.984 1.000 1 A 96.262 1 ATOM 375 N N . ALA 46 191 ? A -5.398 -4.774 10.083 1.000 1 A 96.803 1 ATOM 376 C CA . ALA 46 191 ? A -5.192 -5.563 11.295 1.000 1 A 96.803 1 ATOM 377 C C . ALA 46 191 ? A -4.497 -4.737 12.374 1.000 1 A 96.803 1 ATOM 378 O O . ALA 46 191 ? A -4.846 -4.828 13.554 1.000 1 A 96.803 1 ATOM 379 C CB . ALA 46 191 ? A -4.379 -6.816 10.982 1.000 1 A 96.803 1 ATOM 380 N N . LYS 47 192 ? A -3.575 -3.849 11.969 1.000 1 A 97.271 1 ATOM 381 C CA . LYS 47 192 ? A -2.841 -3.020 12.919 1.000 1 A 97.271 1 ATOM 382 C C . LYS 47 192 ? A -3.619 -1.751 13.257 1.000 1 A 97.271 1 ATOM 383 O O . LYS 47 192 ? A -3.487 -1.210 14.357 1.000 1 A 97.271 1 ATOM 384 C CB . LYS 47 192 ? A -1.463 -2.657 12.363 1.000 1 A 97.271 1 ATOM 385 C CG . LYS 47 192 ? A -0.549 -3.854 12.145 1.000 1 A 97.271 1 ATOM 386 C CD . LYS 47 192 ? A -0.149 -4.499 13.466 1.000 1 A 97.271 1 ATOM 387 C CE . LYS 47 192 ? A 0.836 -5.641 13.256 1.000 1 A 97.271 1 ATOM 388 N NZ . LYS 47 192 ? A 1.343 -6.181 14.553 1.000 1 A 97.271 1 ATOM 389 N N . ASN 48 193 ? A -4.369 -1.371 12.299 1.000 1 A 96.642 1 ATOM 390 C CA . ASN 48 193 ? A -5.136 -0.137 12.423 1.000 1 A 96.642 1 ATOM 391 C C . ASN 48 193 ? A -6.589 -0.335 11.999 1.000 1 A 96.642 1 ATOM 392 O O . ASN 48 193 ? A -6.999 0.133 10.935 1.000 1 A 96.642 1 ATOM 393 C CB . ASN 48 193 ? A -4.491 0.981 11.601 1.000 1 A 96.642 1 ATOM 394 C CG . ASN 48 193 ? A -3.020 1.165 11.918 1.000 1 A 96.642 1 ATOM 395 O OD1 . ASN 48 193 ? A -2.662 1.738 12.951 1.000 1 A 96.642 1 ATOM 396 N ND2 . ASN 48 193 ? A -2.157 0.679 11.033 1.000 1 A 96.642 1 ATOM 397 N N . PRO 49 194 ? A -7.443 -0.968 12.875 1.000 1 A 95.891 1 ATOM 398 C CA . PRO 49 194 ? A -8.806 -1.355 12.504 1.000 1 A 95.891 1 ATOM 399 C C . PRO 49 194 ? A -9.701 -0.153 12.211 1.000 1 A 95.891 1 ATOM 400 O O . PRO 49 194 ? A -10.711 -0.285 11.515 1.000 1 A 95.891 1 ATOM 401 C CB . PRO 49 194 ? A -9.303 -2.118 13.734 1.000 1 A 95.891 1 ATOM 402 C CG . PRO 49 194 ? A -8.402 -1.682 14.844 1.000 1 A 95.891 1 ATOM 403 C CD . PRO 49 194 ? A -7.071 -1.307 14.259 1.000 1 A 95.891 1 ATOM 404 N N . LYS 50 195 ? A -9.312 1.085 12.653 1.000 1 A 95.672 1 ATOM 405 C CA . LYS 50 195 ? A -10.159 2.263 12.491 1.000 1 A 95.672 1 ATOM 406 C C . LYS 50 195 ? A -9.571 3.226 11.464 1.000 1 A 95.672 1 ATOM 407 O O . LYS 50 195 ? A -9.883 4.419 11.474 1.000 1 A 95.672 1 ATOM 408 C CB . LYS 50 195 ? A -10.348 2.976 13.831 1.000 1 A 95.672 1 ATOM 409 C CG . LYS 50 195 ? A -11.075 2.145 14.878 1.000 1 A 95.672 1 ATOM 410 C CD . LYS 50 195 ? A -11.283 2.928 16.168 1.000 1 A 95.672 1 ATOM 411 C CE . LYS 50 195 ? A -12.024 2.103 17.211 1.000 1 A 95.672 1 ATOM 412 N NZ . LYS 50 195 ? A -12.125 2.821 18.516 1.000 1 A 95.672 1 ATOM 413 N N . ILE 51 196 ? A -8.652 2.673 10.714 1.000 1 A 95.598 1 ATOM 414 C CA . ILE 51 196 ? A -8.018 3.526 9.715 1.000 1 A 95.598 1 ATOM 415 C C . ILE 51 196 ? A -9.054 3.977 8.688 1.000 1 A 95.598 1 ATOM 416 O O . ILE 51 196 ? A -9.900 3.187 8.263 1.000 1 A 95.598 1 ATOM 417 C CB . ILE 51 196 ? A -6.847 2.801 9.013 1.000 1 A 95.598 1 ATOM 418 C CG1 . ILE 51 196 ? A -6.101 3.766 8.086 1.000 1 A 95.598 1 ATOM 419 C CG2 . ILE 51 196 ? A -7.354 1.580 8.240 1.000 1 A 95.598 1 ATOM 420 C CD1 . ILE 51 196 ? A -4.757 3.241 7.598 1.000 1 A 95.598 1 ATOM 421 N N . ALA 52 197 ? A -9.136 5.250 8.410 1.000 1 A 95.851 1 ATOM 422 C CA . ALA 52 197 ? A -10.023 5.798 7.387 1.000 1 A 95.851 1 ATOM 423 C C . ALA 52 197 ? A -9.622 5.313 5.997 1.000 1 A 95.851 1 ATOM 424 O O . ALA 52 197 ? A -8.436 5.116 5.719 1.000 1 A 95.851 1 ATOM 425 C CB . ALA 52 197 ? A -10.015 7.324 7.438 1.000 1 A 95.851 1 ATOM 426 N N . VAL 53 198 ? A -10.540 5.147 5.126 1.000 1 A 91.853 1 ATOM 427 C CA . VAL 53 198 ? A -10.327 4.626 3.780 1.000 1 A 91.853 1 ATOM 428 C C . VAL 53 198 ? A -9.363 5.535 3.021 1.000 1 A 91.853 1 ATOM 429 O O . VAL 53 198 ? A -8.446 5.055 2.351 1.000 1 A 91.853 1 ATOM 430 C CB . VAL 53 198 ? A -11.657 4.493 3.006 1.000 1 A 91.853 1 ATOM 431 C CG1 . VAL 53 198 ? A -11.398 4.101 1.552 1.000 1 A 91.853 1 ATOM 432 C CG2 . VAL 53 198 ? A -12.569 3.473 3.684 1.000 1 A 91.853 1 ATOM 433 N N . SER 54 199 ? A -9.564 6.779 3.187 1.000 1 A 94.586 1 ATOM 434 C CA . SER 54 199 ? A -8.709 7.742 2.500 1.000 1 A 94.586 1 ATOM 435 C C . SER 54 199 ? A -7.249 7.572 2.906 1.000 1 A 94.586 1 ATOM 436 O O . SER 54 199 ? A -6.360 7.546 2.052 1.000 1 A 94.586 1 ATOM 437 C CB . SER 54 199 ? A -9.166 9.171 2.795 1.000 1 A 94.586 1 ATOM 438 O OG . SER 54 199 ? A -10.460 9.405 2.266 1.000 1 A 94.586 1 ATOM 439 N N . LYS 55 200 ? A -7.036 7.439 4.191 1.000 1 A 95.952 1 ATOM 440 C CA . LYS 55 200 ? A -5.678 7.213 4.677 1.000 1 A 95.952 1 ATOM 441 C C . LYS 55 200 ? A -5.140 5.868 4.198 1.000 1 A 95.952 1 ATOM 442 O O . LYS 55 200 ? A -3.965 5.754 3.843 1.000 1 A 95.952 1 ATOM 443 C CB . LYS 55 200 ? A -5.636 7.280 6.204 1.000 1 A 95.952 1 ATOM 444 C CG . LYS 55 200 ? A -5.833 8.680 6.768 1.000 1 A 95.952 1 ATOM 445 C CD . LYS 55 200 ? A -5.737 8.689 8.288 1.000 1 A 95.952 1 ATOM 446 C CE . LYS 55 200 ? A -5.991 10.078 8.857 1.000 1 A 95.952 1 ATOM 447 N NZ . LYS 55 200 ? A -6.213 10.040 10.334 1.000 1 A 95.952 1 ATOM 448 N N . MET 56 201 ? A -5.988 4.889 4.182 1.000 1 A 96.007 1 ATOM 449 C CA . MET 56 201 ? A -5.630 3.567 3.676 1.000 1 A 96.007 1 ATOM 450 C C . MET 56 201 ? A -5.158 3.647 2.229 1.000 1 A 96.007 1 ATOM 451 O O . MET 56 201 ? A -4.133 3.062 1.872 1.000 1 A 96.007 1 ATOM 452 C CB . MET 56 201 ? A -6.818 2.609 3.786 1.000 1 A 96.007 1 ATOM 453 C CG . MET 56 201 ? A -6.526 1.208 3.274 1.000 1 A 96.007 1 ATOM 454 S SD . MET 56 201 ? A -5.266 0.339 4.285 1.000 1 A 96.007 1 ATOM 455 C CE . MET 56 201 ? A -6.242 -0.022 5.772 1.000 1 A 96.007 1 ATOM 456 N N . MET 57 202 ? A -5.848 4.375 1.479 1.000 1 A 94.807 1 ATOM 457 C CA . MET 57 202 ? A -5.503 4.532 0.069 1.000 1 A 94.807 1 ATOM 458 C C . MET 57 202 ? A -4.159 5.236 -0.088 1.000 1 A 94.807 1 ATOM 459 O O . MET 57 202 ? A -3.365 4.882 -0.961 1.000 1 A 94.807 1 ATOM 460 C CB . MET 57 202 ? A -6.592 5.314 -0.668 1.000 1 A 94.807 1 ATOM 461 C CG . MET 57 202 ? A -7.852 4.506 -0.935 1.000 1 A 94.807 1 ATOM 462 S SD . MET 57 202 ? A -7.533 3.030 -1.977 1.000 1 A 94.807 1 ATOM 463 C CE . MET 57 202 ? A -8.428 1.769 -1.028 1.000 1 A 94.807 1 ATOM 464 N N . MET 58 203 ? A -3.928 6.189 0.729 1.000 1 A 95.362 1 ATOM 465 C CA . MET 58 203 ? A -2.662 6.915 0.712 1.000 1 A 95.362 1 ATOM 466 C C . MET 58 203 ? A -1.500 5.990 1.058 1.000 1 A 95.362 1 ATOM 467 O O . MET 58 203 ? A -0.470 6.000 0.380 1.000 1 A 95.362 1 ATOM 468 C CB . MET 58 203 ? A -2.703 8.092 1.689 1.000 1 A 95.362 1 ATOM 469 C CG . MET 58 203 ? A -1.479 8.990 1.617 1.000 1 A 95.362 1 ATOM 470 S SD . MET 58 203 ? A -1.651 10.497 2.651 1.000 1 A 95.362 1 ATOM 471 C CE . MET 58 203 ? A -2.731 11.494 1.586 1.000 1 A 95.362 1 ATOM 472 N N . VAL 59 204 ? A -1.684 5.157 2.053 1.000 1 A 96.075 1 ATOM 473 C CA . VAL 59 204 ? A -0.654 4.229 2.508 1.000 1 A 96.075 1 ATOM 474 C C . VAL 59 204 ? A -0.400 3.172 1.436 1.000 1 A 96.075 1 ATOM 475 O O . VAL 59 204 ? A 0.751 2.863 1.120 1.000 1 A 96.075 1 ATOM 476 C CB . VAL 59 204 ? A -1.048 3.553 3.840 1.000 1 A 96.075 1 ATOM 477 C CG1 . VAL 59 204 ? A -0.064 2.438 4.192 1.000 1 A 96.075 1 ATOM 478 C CG2 . VAL 59 204 ? A -1.113 4.586 4.964 1.000 1 A 96.075 1 ATOM 479 N N . LEU 60 205 ? A -1.429 2.656 0.879 1.000 1 A 96.375 1 ATOM 480 C CA . LEU 60 205 ? A -1.281 1.644 -0.162 1.000 1 A 96.375 1 ATOM 481 C C . LEU 60 205 ? A -0.530 2.206 -1.364 1.000 1 A 96.375 1 ATOM 482 O O . LEU 60 205 ? A 0.344 1.539 -1.923 1.000 1 A 96.375 1 ATOM 483 C CB . LEU 60 205 ? A -2.652 1.122 -0.601 1.000 1 A 96.375 1 ATOM 484 C CG . LEU 60 205 ? A -3.322 0.110 0.330 1.000 1 A 96.375 1 ATOM 485 C CD1 . LEU 60 205 ? A -4.708 -0.254 -0.192 1.000 1 A 96.375 1 ATOM 486 C CD2 . LEU 60 205 ? A -2.456 -1.137 0.477 1.000 1 A 96.375 1 ATOM 487 N N . GLY 61 206 ? A -0.851 3.395 -1.719 1.000 1 A 95.226 1 ATOM 488 C CA . GLY 61 206 ? A -0.166 4.037 -2.829 1.000 1 A 95.226 1 ATOM 489 C C . GLY 61 206 ? A 1.323 4.205 -2.595 1.000 1 A 95.226 1 ATOM 490 O O . GLY 61 206 ? A 2.133 3.891 -3.470 1.000 1 A 95.226 1 ATOM 491 N N . ALA 62 207 ? A 1.588 4.672 -1.469 1.000 1 A 95.176 1 ATOM 492 C CA . ALA 62 207 ? A 2.991 4.875 -1.118 1.000 1 A 95.176 1 ATOM 493 C C . ALA 62 207 ? A 3.739 3.547 -1.058 1.000 1 A 95.176 1 ATOM 494 O O . ALA 62 207 ? A 4.862 3.436 -1.556 1.000 1 A 95.176 1 ATOM 495 C CB . ALA 62 207 ? A 3.104 5.608 0.217 1.000 1 A 95.176 1 ATOM 496 N N . LYS 63 208 ? A 3.190 2.527 -0.483 1.000 1 A 95.312 1 ATOM 497 C CA . LYS 63 208 ? A 3.817 1.214 -0.368 1.000 1 A 95.312 1 ATOM 498 C C . LYS 63 208 ? A 3.988 0.564 -1.738 1.000 1 A 95.312 1 ATOM 499 O O . LYS 63 208 ? A 5.007 -0.076 -2.005 1.000 1 A 95.312 1 ATOM 500 C CB . LYS 63 208 ? A 2.993 0.303 0.544 1.000 1 A 95.312 1 ATOM 501 C CG . LYS 63 208 ? A 3.779 -0.862 1.128 1.000 1 A 95.312 1 ATOM 502 C CD . LYS 63 208 ? A 3.072 -1.463 2.337 1.000 1 A 95.312 1 ATOM 503 C CE . LYS 63 208 ? A 3.413 -0.710 3.616 1.000 1 A 95.312 1 ATOM 504 N NZ . LYS 63 208 ? A 4.218 -1.548 4.554 1.000 1 A 95.312 1 ATOM 505 N N . TRP 64 209 ? A 2.969 0.749 -2.618 1.000 1 A 94.766 1 ATOM 506 C CA . TRP 64 209 ? A 3.042 0.196 -3.966 1.000 1 A 94.766 1 ATOM 507 C C . TRP 64 209 ? A 4.184 0.830 -4.753 1.000 1 A 94.766 1 ATOM 508 O O . TRP 64 209 ? A 4.907 0.140 -5.476 1.000 1 A 94.766 1 ATOM 509 C CB . TRP 64 209 ? A 1.718 0.404 -4.706 1.000 1 A 94.766 1 ATOM 510 C CG . TRP 64 209 ? A 1.761 0.013 -6.153 1.000 1 A 94.766 1 ATOM 511 C CD1 . TRP 64 209 ? A 1.663 0.845 -7.233 1.000 1 A 94.766 1 ATOM 512 C CD2 . TRP 64 209 ? A 1.907 -1.310 -6.676 1.000 1 A 94.766 1 ATOM 513 N NE1 . TRP 64 209 ? A 1.741 0.117 -8.399 1.000 1 A 94.766 1 ATOM 514 C CE2 . TRP 64 209 ? A 1.891 -1.206 -8.085 1.000 1 A 94.766 1 ATOM 515 C CE3 . TRP 64 209 ? A 2.051 -2.575 -6.090 1.000 1 A 94.766 1 ATOM 516 C CZ2 . TRP 64 209 ? A 2.014 -2.322 -8.917 1.000 1 A 94.766 1 ATOM 517 C CZ3 . TRP 64 209 ? A 2.174 -3.683 -6.920 1.000 1 A 94.766 1 ATOM 518 C CH2 . TRP 64 209 ? A 2.154 -3.547 -8.318 1.000 1 A 94.766 1 ATOM 519 N N . ARG 65 210 ? A 4.275 2.099 -4.619 1.000 1 A 93.319 1 ATOM 520 C CA . ARG 65 210 ? A 5.347 2.808 -5.310 1.000 1 A 93.319 1 ATOM 521 C C . ARG 65 210 ? A 6.713 2.267 -4.902 1.000 1 A 93.319 1 ATOM 522 O O . ARG 65 210 ? A 7.562 2.003 -5.756 1.000 1 A 93.319 1 ATOM 523 C CB . ARG 65 210 ? A 5.271 4.309 -5.024 1.000 1 A 93.319 1 ATOM 524 C CG . ARG 65 210 ? A 6.205 5.148 -5.881 1.000 1 A 93.319 1 ATOM 525 C CD . ARG 65 210 ? A 6.227 6.603 -5.435 1.000 1 A 93.319 1 ATOM 526 N NE . ARG 65 210 ? A 4.915 7.230 -5.576 1.000 1 A 93.319 1 ATOM 527 C CZ . ARG 65 210 ? A 4.316 7.954 -4.636 1.000 1 A 93.319 1 ATOM 528 N NH1 . ARG 65 210 ? A 4.901 8.158 -3.461 1.000 1 A 93.319 1 ATOM 529 N NH2 . ARG 65 210 ? A 3.122 8.478 -4.870 1.000 1 A 93.319 1 ATOM 530 N N . GLU 66 211 ? A 6.875 2.061 -3.626 1.000 1 A 92.395 1 ATOM 531 C CA . GLU 66 211 ? A 8.146 1.532 -3.142 1.000 1 A 92.395 1 ATOM 532 C C . GLU 66 211 ? A 8.323 0.069 -3.540 1.000 1 A 92.395 1 ATOM 533 O O . GLU 66 211 ? A 9.415 -0.344 -3.936 1.000 1 A 92.395 1 ATOM 534 C CB . GLU 66 211 ? A 8.247 1.680 -1.622 1.000 1 A 92.395 1 ATOM 535 C CG . GLU 66 211 ? A 8.368 3.122 -1.151 1.000 1 A 92.395 1 ATOM 536 C CD . GLU 66 211 ? A 8.619 3.246 0.344 1.000 1 A 92.395 1 ATOM 537 O OE1 . GLU 66 211 ? A 9.798 3.341 0.755 1.000 1 A 92.395 1 ATOM 538 O OE2 . GLU 66 211 ? A 7.630 3.247 1.109 1.000 1 A 92.395 1 ATOM 539 N N . PHE 67 212 ? A 7.270 -0.651 -3.477 1.000 1 A 93.735 1 ATOM 540 C CA . PHE 67 212 ? A 7.273 -2.076 -3.788 1.000 1 A 93.735 1 ATOM 541 C C . PHE 67 212 ? A 7.611 -2.308 -5.256 1.000 1 A 93.735 1 ATOM 542 O O . PHE 67 212 ? A 8.448 -3.154 -5.580 1.000 1 A 93.735 1 ATOM 543 C CB . PHE 67 212 ? A 5.916 -2.704 -3.457 1.000 1 A 93.735 1 ATOM 544 C CG . PHE 67 212 ? A 5.818 -4.162 -3.813 1.000 1 A 93.735 1 ATOM 545 C CD1 . PHE 67 212 ? A 5.220 -4.563 -5.002 1.000 1 A 93.735 1 ATOM 546 C CD2 . PHE 67 212 ? A 6.325 -5.133 -2.959 1.000 1 A 93.735 1 ATOM 547 C CE1 . PHE 67 212 ? A 5.129 -5.913 -5.335 1.000 1 A 93.735 1 ATOM 548 C CE2 . PHE 67 212 ? A 6.237 -6.484 -3.285 1.000 1 A 93.735 1 ATOM 549 C CZ . PHE 67 212 ? A 5.638 -6.871 -4.473 1.000 1 A 93.735 1 ATOM 550 N N . SER 68 213 ? A 6.998 -1.488 -6.126 1.000 1 A 91.242 1 ATOM 551 C CA . SER 68 213 ? A 7.173 -1.669 -7.564 1.000 1 A 91.242 1 ATOM 552 C C . SER 68 213 ? A 8.545 -1.185 -8.019 1.000 1 A 91.242 1 ATOM 553 O O . SER 68 213 ? A 9.122 -1.734 -8.961 1.000 1 A 91.242 1 ATOM 554 C CB . SER 68 213 ? A 6.080 -0.927 -8.335 1.000 1 A 91.242 1 ATOM 555 O OG . SER 68 213 ? A 4.799 -1.444 -8.014 1.000 1 A 91.242 1 ATOM 556 N N . THR 69 214 ? A 9.091 -0.135 -7.432 1.000 1 A 90.058 1 ATOM 557 C CA . THR 69 214 ? A 10.407 0.390 -7.781 1.000 1 A 90.058 1 ATOM 558 C C . THR 69 214 ? A 11.510 -0.539 -7.280 1.000 1 A 90.058 1 ATOM 559 O O . THR 69 214 ? A 12.607 -0.567 -7.841 1.000 1 A 90.058 1 ATOM 560 C CB . THR 69 214 ? A 10.618 1.801 -7.201 1.000 1 A 90.058 1 ATOM 561 O OG1 . THR 69 214 ? A 10.518 1.744 -5.773 1.000 1 A 90.058 1 ATOM 562 C CG2 . THR 69 214 ? A 9.573 2.776 -7.733 1.000 1 A 90.058 1 ATOM 563 N N . ASN 70 215 ? A 11.289 -1.270 -6.253 1.000 1 A 89.951 1 ATOM 564 C CA . ASN 70 215 ? A 12.272 -2.176 -5.668 1.000 1 A 89.951 1 ATOM 565 C C . ASN 70 215 ? A 12.180 -3.571 -6.279 1.000 1 A 89.951 1 ATOM 566 O O . ASN 70 215 ? A 12.952 -4.463 -5.920 1.000 1 A 89.951 1 ATOM 567 C CB . ASN 70 215 ? A 12.099 -2.248 -4.150 1.000 1 A 89.951 1 ATOM 568 C CG . ASN 70 215 ? A 12.556 -0.983 -3.449 1.000 1 A 89.951 1 ATOM 569 O OD1 . ASN 70 215 ? A 13.745 -0.653 -3.451 1.000 1 A 89.951 1 ATOM 570 N ND2 . ASN 70 215 ? A 11.615 -0.267 -2.846 1.000 1 A 89.951 1 ATOM 571 N N . ASN 71 216 ? A 11.213 -3.769 -7.140 1.000 1 A 88.006 1 ATOM 572 C CA . ASN 71 216 ? A 11.019 -5.064 -7.784 1.000 1 A 88.006 1 ATOM 573 C C . ASN 71 216 ? A 12.145 -5.376 -8.766 1.000 1 A 88.006 1 ATOM 574 O O . ASN 71 216 ? A 12.335 -4.656 -9.748 1.000 1 A 88.006 1 ATOM 575 C CB . ASN 71 216 ? A 9.665 -5.112 -8.496 1.000 1 A 88.006 1 ATOM 576 C CG . ASN 71 216 ? A 9.321 -6.499 -9.002 1.000 1 A 88.006 1 ATOM 577 O OD1 . ASN 71 216 ? A 9.421 -7.484 -8.267 1.000 1 A 88.006 1 ATOM 578 N ND2 . ASN 71 216 ? A 8.911 -6.585 -10.263 1.000 1 A 88.006 1 ATOM 579 N N . PRO 72 217 ? A 13.104 -6.337 -8.381 1.000 1 A 85.145 1 ATOM 580 C CA . PRO 72 217 ? A 14.213 -6.707 -9.264 1.000 1 A 85.145 1 ATOM 581 C C . PRO 72 217 ? A 13.739 -7.229 -10.618 1.000 1 A 85.145 1 ATOM 582 O O . PRO 72 217 ? A 14.532 -7.325 -11.559 1.000 1 A 85.145 1 ATOM 583 C CB . PRO 72 217 ? A 14.938 -7.803 -8.479 1.000 1 A 85.145 1 ATOM 584 C CG . PRO 72 217 ? A 13.910 -8.343 -7.538 1.000 1 A 85.145 1 ATOM 585 C CD . PRO 72 217 ? A 12.952 -7.240 -7.194 1.000 1 A 85.145 1 ATOM 586 N N . PHE 73 218 ? A 12.494 -7.523 -10.763 1.000 1 A 81.405 1 ATOM 587 C CA . PHE 73 218 ? A 11.992 -8.146 -11.982 1.000 1 A 81.405 1 ATOM 588 C C . PHE 73 218 ? A 11.445 -7.096 -12.942 1.000 1 A 81.405 1 ATOM 589 O O . PHE 73 218 ? A 11.059 -7.418 -14.068 1.000 1 A 81.405 1 ATOM 590 C CB . PHE 73 218 ? A 10.904 -9.174 -11.653 1.000 1 A 81.405 1 ATOM 591 C CG . PHE 73 218 ? A 11.335 -10.215 -10.655 1.000 1 A 81.405 1 ATOM 592 C CD1 . PHE 73 218 ? A 12.260 -11.191 -11.003 1.000 1 A 81.405 1 ATOM 593 C CD2 . PHE 73 218 ? A 10.813 -10.216 -9.368 1.000 1 A 81.405 1 ATOM 594 C CE1 . PHE 73 218 ? A 12.660 -12.156 -10.081 1.000 1 A 81.405 1 ATOM 595 C CE2 . PHE 73 218 ? A 11.208 -11.176 -8.441 1.000 1 A 81.405 1 ATOM 596 C CZ . PHE 73 218 ? A 12.131 -12.146 -8.800 1.000 1 A 81.405 1 ATOM 597 N N . LYS 74 219 ? A 11.380 -5.825 -12.283 1.000 1 A 69.949 1 ATOM 598 C CA . LYS 74 219 ? A 10.848 -4.718 -13.072 1.000 1 A 69.949 1 ATOM 599 C C . LYS 74 219 ? A 11.915 -4.140 -13.998 1.000 1 A 69.949 1 ATOM 600 O O . LYS 74 219 ? A 12.957 -3.670 -13.536 1.000 1 A 69.949 1 ATOM 601 C CB . LYS 74 219 ? A 10.299 -3.622 -12.158 1.000 1 A 69.949 1 ATOM 602 C CG . LYS 74 219 ? A 8.813 -3.351 -12.340 1.000 1 A 69.949 1 ATOM 603 C CD . LYS 74 219 ? A 8.342 -2.204 -11.456 1.000 1 A 69.949 1 ATOM 604 C CE . LYS 74 219 ? A 6.822 -2.155 -11.364 1.000 1 A 69.949 1 ATOM 605 N NZ . LYS 74 219 ? A 6.321 -0.757 -11.207 1.000 1 A 69.949 1 ATOM 606 N N . GLY 75 220 ? A 12.531 -4.869 -14.821 1.000 1 A 64.006 1 ATOM 607 C CA . GLY 75 220 ? A 13.507 -4.489 -15.829 1.000 1 A 64.006 1 ATOM 608 C C . GLY 75 220 ? A 14.144 -5.679 -16.521 1.000 1 A 64.006 1 ATOM 609 O O . GLY 75 220 ? A 14.933 -5.513 -17.454 1.000 1 A 64.006 1 ATOM 610 N N . SER 76 221 ? A 13.783 -6.852 -15.865 1.000 1 A 57.648 1 ATOM 611 C CA . SER 76 221 ? A 14.409 -7.983 -16.543 1.000 1 A 57.648 1 ATOM 612 C C . SER 76 221 ? A 13.593 -8.422 -17.754 1.000 1 A 57.648 1 ATOM 613 O O . SER 76 221 ? A 13.980 -9.351 -18.466 1.000 1 A 57.648 1 ATOM 614 C CB . SER 76 221 ? A 14.580 -9.158 -15.580 1.000 1 A 57.648 1 ATOM 615 O OG . SER 76 221 ? A 15.888 -9.697 -15.671 1.000 1 A 57.648 1 ATOM 616 N N . SER 77 222 ? A 12.696 -7.551 -18.295 1.000 1 A 54.125 1 ATOM 617 C CA . SER 77 222 ? A 12.117 -7.967 -19.568 1.000 1 A 54.125 1 ATOM 618 C C . SER 77 222 ? A 12.703 -7.169 -20.729 1.000 1 A 54.125 1 ATOM 619 O O . SER 77 222 ? A 11.971 -6.722 -21.614 1.000 1 A 54.125 1 ATOM 620 C CB . SER 77 222 ? A 10.597 -7.805 -19.544 1.000 1 A 54.125 1 ATOM 621 O OG . SER 77 222 ? A 10.003 -8.762 -18.683 1.000 1 A 54.125 1 ATOM 622 N N . GLY 78 223 ? A 14.049 -7.029 -21.016 1.000 1 A 42.692 1 ATOM 623 C CA . GLY 78 223 ? A 14.440 -6.965 -22.415 1.000 1 A 42.692 1 ATOM 624 C C . GLY 78 223 ? A 15.648 -7.824 -22.737 1.000 1 A 42.692 1 ATOM 625 O O . GLY 78 223 ? A 16.626 -7.835 -21.986 1.000 1 A 42.692 1 ATOM 626 N N . GLN 1 1181 ? B -1.403 4.851 -17.802 1.000 2 B 58.581 1 ATOM 627 C CA . GLN 1 1181 ? B -2.814 5.206 -17.700 1.000 2 B 58.581 1 ATOM 628 C C . GLN 1 1181 ? B -3.642 4.031 -17.188 1.000 2 B 58.581 1 ATOM 629 O O . GLN 1 1181 ? B -4.615 4.222 -16.455 1.000 2 B 58.581 1 ATOM 630 C CB . GLN 1 1181 ? B -3.349 5.675 -19.054 1.000 2 B 58.581 1 ATOM 631 C CG . GLN 1 1181 ? B -3.439 7.189 -19.189 1.000 2 B 58.581 1 ATOM 632 C CD . GLN 1 1181 ? B -3.775 7.633 -20.600 1.000 2 B 58.581 1 ATOM 633 O OE1 . GLN 1 1181 ? B -4.376 6.882 -21.375 1.000 2 B 58.581 1 ATOM 634 N NE2 . GLN 1 1181 ? B -3.390 8.858 -20.944 1.000 2 B 58.581 1 ATOM 635 N N . GLU 2 1182 ? B -3.184 2.810 -17.469 1.000 2 B 61.912 1 ATOM 636 C CA . GLU 2 1182 ? B -3.844 1.584 -17.031 1.000 2 B 61.912 1 ATOM 637 C C . GLU 2 1182 ? B -3.625 1.341 -15.541 1.000 2 B 61.912 1 ATOM 638 O O . GLU 2 1182 ? B -4.538 0.906 -14.836 1.000 2 B 61.912 1 ATOM 639 C CB . GLU 2 1182 ? B -3.342 0.385 -17.839 1.000 2 B 61.912 1 ATOM 640 C CG . GLU 2 1182 ? B -3.785 0.395 -19.295 1.000 2 B 61.912 1 ATOM 641 C CD . GLU 2 1182 ? B -3.129 -0.694 -20.130 1.000 2 B 61.912 1 ATOM 642 O OE1 . GLU 2 1182 ? B -3.757 -1.756 -20.342 1.000 2 B 61.912 1 ATOM 643 O OE2 . GLU 2 1182 ? B -1.979 -0.483 -20.573 1.000 2 B 61.912 1 ATOM 644 N N . GLU 3 1183 ? B -2.467 1.722 -15.057 1.000 2 B 59.577 1 ATOM 645 C CA . GLU 3 1183 ? B -2.128 1.502 -13.655 1.000 2 B 59.577 1 ATOM 646 C C . GLU 3 1183 ? B -2.917 2.437 -12.743 1.000 2 B 59.577 1 ATOM 647 O O . GLU 3 1183 ? B -3.385 2.026 -11.679 1.000 2 B 59.577 1 ATOM 648 C CB . GLU 3 1183 ? B -0.626 1.691 -13.428 1.000 2 B 59.577 1 ATOM 649 C CG . GLU 3 1183 ? B 0.202 0.447 -13.722 1.000 2 B 59.577 1 ATOM 650 C CD . GLU 3 1183 ? B 1.700 0.696 -13.660 1.000 2 B 59.577 1 ATOM 651 O OE1 . GLU 3 1183 ? B 2.338 0.313 -12.653 1.000 2 B 59.577 1 ATOM 652 O OE2 . GLU 3 1183 ? B 2.241 1.279 -14.626 1.000 2 B 59.577 1 ATOM 653 N N . GLU 4 1184 ? B -3.048 3.690 -13.154 1.000 2 B 64.323 1 ATOM 654 C CA . GLU 4 1184 ? B -3.836 4.667 -12.409 1.000 2 B 64.323 1 ATOM 655 C C . GLU 4 1184 ? B -5.305 4.260 -12.347 1.000 2 B 64.323 1 ATOM 656 O O . GLU 4 1184 ? B -5.960 4.433 -11.316 1.000 2 B 64.323 1 ATOM 657 C CB . GLU 4 1184 ? B -3.702 6.057 -13.037 1.000 2 B 64.323 1 ATOM 658 C CG . GLU 4 1184 ? B -2.627 6.921 -12.393 1.000 2 B 64.323 1 ATOM 659 C CD . GLU 4 1184 ? B -2.367 8.216 -13.146 1.000 2 B 64.323 1 ATOM 660 O OE1 . GLU 4 1184 ? B -2.925 9.267 -12.757 1.000 2 B 64.323 1 ATOM 661 O OE2 . GLU 4 1184 ? B -1.601 8.179 -14.134 1.000 2 B 64.323 1 ATOM 662 N N . GLU 5 1185 ? B -5.808 3.772 -13.430 1.000 2 B 70.048 1 ATOM 663 C CA . GLU 5 1185 ? B -7.190 3.308 -13.500 1.000 2 B 70.048 1 ATOM 664 C C . GLU 5 1185 ? B -7.421 2.120 -12.570 1.000 2 B 70.048 1 ATOM 665 O O . GLU 5 1185 ? B -8.472 2.017 -11.935 1.000 2 B 70.048 1 ATOM 666 C CB . GLU 5 1185 ? B -7.558 2.930 -14.937 1.000 2 B 70.048 1 ATOM 667 C CG . GLU 5 1185 ? B -8.968 3.339 -15.338 1.000 2 B 70.048 1 ATOM 668 C CD . GLU 5 1185 ? B -9.222 3.232 -16.834 1.000 2 B 70.048 1 ATOM 669 O OE1 . GLU 5 1185 ? B -9.646 2.151 -17.302 1.000 2 B 70.048 1 ATOM 670 O OE2 . GLU 5 1185 ? B -8.993 4.237 -17.543 1.000 2 B 70.048 1 ATOM 671 N N . GLU 6 1186 ? B -6.397 1.300 -12.526 1.000 2 B 67.090 1 ATOM 672 C CA . GLU 6 1186 ? B -6.480 0.122 -11.668 1.000 2 B 67.090 1 ATOM 673 C C . GLU 6 1186 ? B -6.518 0.514 -10.194 1.000 2 B 67.090 1 ATOM 674 O O . GLU 6 1186 ? B -7.259 -0.079 -9.408 1.000 2 B 67.090 1 ATOM 675 C CB . GLU 6 1186 ? B -5.301 -0.819 -11.931 1.000 2 B 67.090 1 ATOM 676 C CG . GLU 6 1186 ? B -5.574 -2.267 -11.554 1.000 2 B 67.090 1 ATOM 677 C CD . GLU 6 1186 ? B -4.557 -3.239 -12.129 1.000 2 B 67.090 1 ATOM 678 O OE1 . GLU 6 1186 ? B -3.501 -3.460 -11.493 1.000 2 B 67.090 1 ATOM 679 O OE2 . GLU 6 1186 ? B -4.816 -3.784 -13.226 1.000 2 B 67.090 1 ATOM 680 N N . GLU 7 1187 ? B -5.639 1.520 -9.896 1.000 2 B 64.627 1 ATOM 681 C CA . GLU 7 1187 ? B -5.619 2.075 -8.546 1.000 2 B 64.627 1 ATOM 682 C C . GLU 7 1187 ? B -6.977 2.660 -8.169 1.000 2 B 64.627 1 ATOM 683 O O . GLU 7 1187 ? B -7.460 2.453 -7.054 1.000 2 B 64.627 1 ATOM 684 C CB . GLU 7 1187 ? B -4.532 3.145 -8.420 1.000 2 B 64.627 1 ATOM 685 C CG . GLU 7 1187 ? B -4.106 3.424 -6.986 1.000 2 B 64.627 1 ATOM 686 C CD . GLU 7 1187 ? B -3.061 4.523 -6.874 1.000 2 B 64.627 1 ATOM 687 O OE1 . GLU 7 1187 ? B -3.427 5.679 -6.561 1.000 2 B 64.627 1 ATOM 688 O OE2 . GLU 7 1187 ? B -1.867 4.225 -7.101 1.000 2 B 64.627 1 ATOM 689 N N . GLU 8 1188 ? B -7.523 3.385 -9.128 1.000 2 B 68.807 1 ATOM 690 C CA . GLU 8 1188 ? B -8.830 4.000 -8.919 1.000 2 B 68.807 1 ATOM 691 C C . GLU 8 1188 ? B -9.926 2.943 -8.813 1.000 2 B 68.807 1 ATOM 692 O O . GLU 8 1188 ? B -10.843 3.072 -7.998 1.000 2 B 68.807 1 ATOM 693 C CB . GLU 8 1188 ? B -9.152 4.979 -10.051 1.000 2 B 68.807 1 ATOM 694 C CG . GLU 8 1188 ? B -10.043 6.137 -9.628 1.000 2 B 68.807 1 ATOM 695 C CD . GLU 8 1188 ? B -10.351 7.103 -10.761 1.000 2 B 68.807 1 ATOM 696 O OE1 . GLU 8 1188 ? B -11.485 7.077 -11.290 1.000 2 B 68.807 1 ATOM 697 O OE2 . GLU 8 1188 ? B -9.450 7.892 -11.124 1.000 2 B 68.807 1 ATOM 698 N N . ALA 9 1189 ? B -9.808 1.960 -9.688 1.000 2 B 71.168 1 ATOM 699 C CA . ALA 9 1189 ? B -10.779 0.868 -9.669 1.000 2 B 71.168 1 ATOM 700 C C . ALA 9 1189 ? B -10.707 0.094 -8.356 1.000 2 B 71.168 1 ATOM 701 O O . ALA 9 1189 ? B -11.739 -0.267 -7.784 1.000 2 B 71.168 1 ATOM 702 C CB . ALA 9 1189 ? B -10.546 -0.071 -10.850 1.000 2 B 71.168 1 ATOM 703 N N . ALA 10 1190 ? B -9.428 -0.175 -7.946 1.000 2 B 65.560 1 ATOM 704 C CA . ALA 10 1190 ? B -9.240 -0.866 -6.673 1.000 2 B 65.560 1 ATOM 705 C C . ALA 10 1190 ? B -9.797 -0.043 -5.515 1.000 2 B 65.560 1 ATOM 706 O O . ALA 10 1190 ? B -10.432 -0.586 -4.608 1.000 2 B 65.560 1 ATOM 707 C CB . ALA 10 1190 ? B -7.761 -1.168 -6.444 1.000 2 B 65.560 1 ATOM 708 N N . ALA 11 1191 ? B -9.569 1.315 -5.650 1.000 2 B 64.628 1 ATOM 709 C CA . ALA 11 1191 ? B -10.147 2.245 -4.684 1.000 2 B 64.628 1 ATOM 710 C C . ALA 11 1191 ? B -11.671 2.179 -4.703 1.000 2 B 64.628 1 ATOM 711 O O . ALA 11 1191 ? B -12.313 2.193 -3.650 1.000 2 B 64.628 1 ATOM 712 C CB . ALA 11 1191 ? B -9.676 3.669 -4.969 1.000 2 B 64.628 1 ATOM 713 N N . ALA 12 1192 ? B -12.224 2.200 -5.954 1.000 2 B 70.499 1 ATOM 714 C CA . ALA 12 1192 ? B -13.673 2.156 -6.133 1.000 2 B 70.499 1 ATOM 715 C C . ALA 12 1192 ? B -14.247 0.832 -5.637 1.000 2 B 70.499 1 ATOM 716 O O . ALA 12 1192 ? B -15.314 0.803 -5.020 1.000 2 B 70.499 1 ATOM 717 C CB . ALA 12 1192 ? B -14.034 2.372 -7.601 1.000 2 B 70.499 1 ATOM 718 N N . GLU 13 1193 ? B -13.574 -0.248 -5.981 1.000 2 B 65.862 1 ATOM 719 C CA . GLU 13 1193 ? B -14.010 -1.559 -5.510 1.000 2 B 65.862 1 ATOM 720 C C . GLU 13 1193 ? B -13.966 -1.641 -3.987 1.000 2 B 65.862 1 ATOM 721 O O . GLU 13 1193 ? B -14.862 -2.215 -3.365 1.000 2 B 65.862 1 ATOM 722 C CB . GLU 13 1193 ? B -13.145 -2.664 -6.121 1.000 2 B 65.862 1 ATOM 723 C CG . GLU 13 1193 ? B -13.919 -3.632 -7.005 1.000 2 B 65.862 1 ATOM 724 C CD . GLU 13 1193 ? B -14.100 -5.005 -6.376 1.000 2 B 65.862 1 ATOM 725 O OE1 . GLU 13 1193 ? B -15.258 -5.458 -6.232 1.000 2 B 65.862 1 ATOM 726 O OE2 . GLU 13 1193 ? B -13.076 -5.631 -6.023 1.000 2 B 65.862 1 ATOM 727 N N . MET 14 1194 ? B -12.963 -1.077 -3.315 1.000 2 B 58.951 1 ATOM 728 C CA . MET 14 1194 ? B -12.790 -1.037 -1.866 1.000 2 B 58.951 1 ATOM 729 C C . MET 14 1194 ? B -13.885 -0.203 -1.210 1.000 2 B 58.951 1 ATOM 730 O O . MET 14 1194 ? B -14.351 -0.530 -0.117 1.000 2 B 58.951 1 ATOM 731 C CB . MET 14 1194 ? B -11.415 -0.474 -1.503 1.000 2 B 58.951 1 ATOM 732 C CG . MET 14 1194 ? B -10.257 -1.364 -1.924 1.000 2 B 58.951 1 ATOM 733 S SD . MET 14 1194 ? B -8.629 -0.683 -1.424 1.000 2 B 58.951 1 ATOM 734 C CE . MET 14 1194 ? B -8.625 -1.121 0.337 1.000 2 B 58.951 1 ATOM 735 N N . ALA 15 1195 ? B -14.154 0.956 -1.816 1.000 2 B 63.820 1 ATOM 736 C CA . ALA 15 1195 ? B -15.255 1.782 -1.325 1.000 2 B 63.820 1 ATOM 737 C C . ALA 15 1195 ? B -16.579 1.026 -1.389 1.000 2 B 63.820 1 ATOM 738 O O . ALA 15 1195 ? B -17.436 1.188 -0.518 1.000 2 B 63.820 1 ATOM 739 C CB . ALA 15 1195 ? B -15.346 3.078 -2.127 1.000 2 B 63.820 1 ATOM 740 N N . VAL 16 1196 ? B -16.660 0.145 -2.350 1.000 2 B 63.231 1 ATOM 741 C CA . VAL 16 1196 ? B -17.914 -0.584 -2.513 1.000 2 B 63.231 1 ATOM 742 C C . VAL 16 1196 ? B -17.970 -1.743 -1.520 1.000 2 B 63.231 1 ATOM 743 O O . VAL 16 1196 ? B -19.038 -2.065 -0.992 1.000 2 B 63.231 1 ATOM 744 C CB . VAL 16 1196 ? B -18.082 -1.109 -3.956 1.000 2 B 63.231 1 ATOM 745 C CG1 . VAL 16 1196 ? B -19.320 -1.997 -4.066 1.000 2 B 63.231 1 ATOM 746 C CG2 . VAL 16 1196 ? B -18.167 0.056 -4.941 1.000 2 B 63.231 1 ATOM 747 N N . GLU 17 1197 ? B -16.822 -2.420 -1.193 1.000 2 B 56.452 1 ATOM 748 C CA . GLU 17 1197 ? B -16.812 -3.554 -0.274 1.000 2 B 56.452 1 ATOM 749 C C . GLU 17 1197 ? B -16.970 -3.095 1.172 1.000 2 B 56.452 1 ATOM 750 O O . GLU 17 1197 ? B -17.595 -3.783 1.982 1.000 2 B 56.452 1 ATOM 751 C CB . GLU 17 1197 ? B -15.521 -4.362 -0.432 1.000 2 B 56.452 1 ATOM 752 C CG . GLU 17 1197 ? B -15.647 -5.814 0.006 1.000 2 B 56.452 1 ATOM 753 C CD . GLU 17 1197 ? B -14.324 -6.562 -0.010 1.000 2 B 56.452 1 ATOM 754 O OE1 . GLU 17 1197 ? B -13.680 -6.679 1.057 1.000 2 B 56.452 1 ATOM 755 O OE2 . GLU 17 1197 ? B -13.927 -7.035 -1.099 1.000 2 B 56.452 1 ATOM 756 N N . VAL 18 1198 ? B -16.523 -1.913 1.554 1.000 2 B 56.697 1 ATOM 757 C CA . VAL 18 1198 ? B -16.736 -1.449 2.920 1.000 2 B 56.697 1 ATOM 758 C C . VAL 18 1198 ? B -18.014 -0.616 2.990 1.000 2 B 56.697 1 ATOM 759 O O . VAL 18 1198 ? B -18.706 -0.612 4.011 1.000 2 B 56.697 1 ATOM 760 C CB . VAL 18 1198 ? B -15.535 -0.624 3.434 1.000 2 B 56.697 1 ATOM 761 C CG1 . VAL 18 1198 ? B -15.808 -0.090 4.839 1.000 2 B 56.697 1 ATOM 762 C CG2 . VAL 18 1198 ? B -14.263 -1.470 3.419 1.000 2 B 56.697 1 ATOM 763 N N . ALA 19 1199 ? B -18.427 -0.103 1.792 1.000 2 B 57.037 1 ATOM 764 C CA . ALA 19 1199 ? B -19.612 0.751 1.763 1.000 2 B 57.037 1 ATOM 765 C C . ALA 19 1199 ? B -20.884 -0.081 1.628 1.000 2 B 57.037 1 ATOM 766 O O . ALA 19 1199 ? B -21.981 0.468 1.502 1.000 2 B 57.037 1 ATOM 767 C CB . ALA 19 1199 ? B -19.514 1.758 0.620 1.000 2 B 57.037 1 ATOM 768 N N . GLU 20 1200 ? B -20.872 -1.478 1.548 1.000 2 B 48.052 1 ATOM 769 C CA . GLU 20 1200 ? B -22.215 -2.006 1.768 1.000 2 B 48.052 1 ATOM 770 C C . GLU 20 1200 ? B -22.811 -1.477 3.069 1.000 2 B 48.052 1 ATOM 771 O O . GLU 20 1200 ? B -22.237 -1.666 4.143 1.000 2 B 48.052 1 ATOM 772 C CB . GLU 20 1200 ? B -22.195 -3.537 1.783 1.000 2 B 48.052 1 ATOM 773 C CG . GLU 20 1200 ? B -21.912 -4.162 0.424 1.000 2 B 48.052 1 ATOM 774 C CD . GLU 20 1200 ? B -22.784 -5.371 0.127 1.000 2 B 48.052 1 ATOM 775 O OE1 . GLU 20 1200 ? B -23.810 -5.222 -0.575 1.000 2 B 48.052 1 ATOM 776 O OE2 . GLU 20 1200 ? B -22.438 -6.477 0.600 1.000 2 B 48.052 1 ATOM 777 N N . PRO 21 1201 ? B -23.554 -0.475 3.126 1.000 2 B 48.548 1 ATOM 778 C CA . PRO 21 1201 ? B -24.169 0.682 3.782 1.000 2 B 48.548 1 ATOM 779 C C . PRO 21 1201 ? B -24.662 0.367 5.192 1.000 2 B 48.548 1 ATOM 780 O O . PRO 21 1201 ? B -25.121 -0.747 5.456 1.000 2 B 48.548 1 ATOM 781 C CB . PRO 21 1201 ? B -25.341 1.028 2.859 1.000 2 B 48.548 1 ATOM 782 C CG . PRO 21 1201 ? B -25.808 -0.287 2.324 1.000 2 B 48.548 1 ATOM 783 C CD . PRO 21 1201 ? B -24.813 -1.342 2.715 1.000 2 B 48.548 1 ATOM 784 N N . GLU 22 1202 ? B -23.980 0.569 6.233 1.000 2 B 46.980 1 ATOM 785 C CA . GLU 22 1202 ? B -24.748 0.997 7.398 1.000 2 B 46.980 1 ATOM 786 C C . GLU 22 1202 ? B -26.014 1.741 6.981 1.000 2 B 46.980 1 ATOM 787 O O . GLU 22 1202 ? B -26.204 2.904 7.343 1.000 2 B 46.980 1 ATOM 788 C CB . GLU 22 1202 ? B -23.895 1.881 8.311 1.000 2 B 46.980 1 ATOM 789 C CG . GLU 22 1202 ? B -23.386 1.169 9.556 1.000 2 B 46.980 1 ATOM 790 C CD . GLU 22 1202 ? B -24.217 1.461 10.795 1.000 2 B 46.980 1 ATOM 791 O OE1 . GLU 22 1202 ? B -24.873 0.532 11.319 1.000 2 B 46.980 1 ATOM 792 O OE2 . GLU 22 1202 ? B -24.212 2.628 11.246 1.000 2 B 46.980 1 ATOM 793 N N . GLU 23 1203 ? B -26.777 1.294 6.002 1.000 2 B 46.325 1 ATOM 794 C CA . GLU 23 1203 ? B -28.179 1.693 6.089 1.000 2 B 46.325 1 ATOM 795 C C . GLU 23 1203 ? B -28.966 0.748 6.992 1.000 2 B 46.325 1 ATOM 796 O O . GLU 23 1203 ? B -29.256 -0.388 6.609 1.000 2 B 46.325 1 ATOM 797 C CB . GLU 23 1203 ? B -28.812 1.739 4.696 1.000 2 B 46.325 1 ATOM 798 C CG . GLU 23 1203 ? B -28.253 2.836 3.802 1.000 2 B 46.325 1 ATOM 799 C CD . GLU 23 1203 ? B -29.325 3.576 3.018 1.000 2 B 46.325 1 ATOM 800 O OE1 . GLU 23 1203 ? B -29.784 4.646 3.479 1.000 2 B 46.325 1 ATOM 801 O OE2 . GLU 23 1203 ? B -29.710 3.082 1.935 1.000 2 B 46.325 1 ATOM 802 N N . GLY 24 1204 ? B -28.510 0.336 8.128 1.000 2 B 40.634 1 ATOM 803 C CA . GLY 24 1204 ? B -29.348 -0.181 9.198 1.000 2 B 40.634 1 ATOM 804 C C . GLY 24 1204 ? B -29.510 0.791 10.352 1.000 2 B 40.634 1 ATOM 805 O O . GLY 24 1204 ? B -28.528 1.167 10.996 1.000 2 B 40.634 1 ATOM 806 N N . SER 25 1205 ? B -30.231 1.902 10.232 1.000 2 B 52.502 1 ATOM 807 C CA . SER 25 1205 ? B -31.132 2.187 11.344 1.000 2 B 52.502 1 ATOM 808 C C . SER 25 1205 ? B -31.946 3.450 11.087 1.000 2 B 52.502 1 ATOM 809 O O . SER 25 1205 ? B -31.395 4.553 11.049 1.000 2 B 52.502 1 ATOM 810 C CB . SER 25 1205 ? B -30.345 2.333 12.647 1.000 2 B 52.502 1 ATOM 811 O OG . SER 25 1205 ? B -31.218 2.579 13.737 1.000 2 B 52.502 1 ATOM 812 N N . GLY 26 1206 ? B -32.553 3.580 9.923 1.000 2 B 42.443 1 ATOM 813 C CA . GLY 26 1206 ? B -33.942 3.967 9.731 1.000 2 B 42.443 1 ATOM 814 C C . GLY 26 1206 ? B -34.854 3.490 10.846 1.000 2 B 42.443 1 ATOM 815 O O . GLY 26 1206 ? B -34.880 2.300 11.167 1.000 2 B 42.443 1 ATOM 816 N N . GLU 27 1207 ? B -34.838 4.085 12.114 1.000 2 B 42.161 1 ATOM 817 C CA . GLU 27 1207 ? B -36.053 4.250 12.907 1.000 2 B 42.161 1 ATOM 818 C C . GLU 27 1207 ? B -35.722 4.513 14.373 1.000 2 B 42.161 1 ATOM 819 O O . GLU 27 1207 ? B -35.007 3.732 15.004 1.000 2 B 42.161 1 ATOM 820 C CB . GLU 27 1207 ? B -36.948 3.015 12.783 1.000 2 B 42.161 1 ATOM 821 C CG . GLU 27 1207 ? B -38.375 3.239 13.263 1.000 2 B 42.161 1 ATOM 822 C CD . GLU 27 1207 ? B -39.149 1.947 13.469 1.000 2 B 42.161 1 ATOM 823 O OE1 . GLU 27 1207 ? B -39.162 1.421 14.605 1.000 2 B 42.161 1 ATOM 824 O OE2 . GLU 27 1207 ? B -39.746 1.455 12.485 1.000 2 B 42.161 1 ATOM 825 N N . GLU 28 1208 ? B -35.510 5.708 14.825 1.000 2 B 38.050 1 ATOM 826 C CA . GLU 28 1208 ? B -36.390 6.191 15.884 1.000 2 B 38.050 1 ATOM 827 C C . GLU 28 1208 ? B -36.014 7.607 16.311 1.000 2 B 38.050 1 ATOM 828 O O . GLU 28 1208 ? B -34.833 7.919 16.476 1.000 2 B 38.050 1 ATOM 829 C CB . GLU 28 1208 ? B -36.348 5.250 17.090 1.000 2 B 38.050 1 ATOM 830 C CG . GLU 28 1208 ? B -34.949 5.027 17.648 1.000 2 B 38.050 1 ATOM 831 C CD . GLU 28 1208 ? B -34.883 3.904 18.671 1.000 2 B 38.050 1 ATOM 832 O OE1 . GLU 28 1208 ? B -34.454 2.783 18.315 1.000 2 B 38.050 1 ATOM 833 O OE2 . GLU 28 1208 ? B -35.264 4.147 19.838 1.000 2 B 38.050 1 ATOM 834 N N . VAL 29 1209 ? B -36.522 8.550 15.692 1.000 2 B 42.323 1 ATOM 835 C CA . VAL 29 1209 ? B -37.263 9.661 16.281 1.000 2 B 42.323 1 ATOM 836 C C . VAL 29 1209 ? B -36.679 10.003 17.650 1.000 2 B 42.323 1 ATOM 837 O O . VAL 29 1209 ? B -36.405 9.111 18.455 1.000 2 B 42.323 1 ATOM 838 C CB . VAL 29 1209 ? B -38.768 9.335 16.410 1.000 2 B 42.323 1 ATOM 839 C CG1 . VAL 29 1209 ? B -39.534 10.533 16.967 1.000 2 B 42.323 1 ATOM 840 C CG2 . VAL 29 1209 ? B -39.340 8.913 15.057 1.000 2 B 42.323 1 ATOM 841 N N . PRO 30 1210 ? B -36.323 11.293 17.902 1.000 2 B 49.009 1 ATOM 842 C CA . PRO 30 1210 ? B -35.655 12.120 18.910 1.000 2 B 49.009 1 ATOM 843 C C . PRO 30 1210 ? B -36.473 12.263 20.191 1.000 2 B 49.009 1 ATOM 844 O O . PRO 30 1210 ? B -37.698 12.395 20.134 1.000 2 B 49.009 1 ATOM 845 C CB . PRO 30 1210 ? B -35.497 13.471 18.208 1.000 2 B 49.009 1 ATOM 846 C CG . PRO 30 1210 ? B -36.614 13.520 17.216 1.000 2 B 49.009 1 ATOM 847 C CD . PRO 30 1210 ? B -37.375 12.227 17.292 1.000 2 B 49.009 1 ATOM 848 N N . MET 31 1211 ? B -36.197 11.539 21.371 1.000 2 B 47.751 1 ATOM 849 C CA . MET 31 1211 ? B -36.753 12.070 22.612 1.000 2 B 47.751 1 ATOM 850 C C . MET 31 1211 ? B -35.642 12.483 23.573 1.000 2 B 47.751 1 ATOM 851 O O . MET 31 1211 ? B -34.725 11.705 23.839 1.000 2 B 47.751 1 ATOM 852 C CB . MET 31 1211 ? B -37.664 11.038 23.279 1.000 2 B 47.751 1 ATOM 853 C CG . MET 31 1211 ? B -38.853 10.629 22.426 1.000 2 B 47.751 1 ATOM 854 S SD . MET 31 1211 ? B -40.025 9.543 23.328 1.000 2 B 47.751 1 ATOM 855 C CE . MET 31 1211 ? B -41.223 9.199 22.009 1.000 2 B 47.751 1 ATOM 856 N N . GLU 32 1212 ? B -34.907 13.574 23.389 1.000 2 B 39.925 1 ATOM 857 C CA . GLU 32 1212 ? B -34.737 14.593 24.420 1.000 2 B 39.925 1 ATOM 858 C C . GLU 32 1212 ? B -35.597 14.289 25.644 1.000 2 B 39.925 1 ATOM 859 O O . GLU 32 1212 ? B -36.781 13.973 25.514 1.000 2 B 39.925 1 ATOM 860 C CB . GLU 32 1212 ? B -35.080 15.979 23.868 1.000 2 B 39.925 1 ATOM 861 C CG . GLU 32 1212 ? B -33.875 16.748 23.344 1.000 2 B 39.925 1 ATOM 862 C CD . GLU 32 1212 ? B -33.935 18.236 23.649 1.000 2 B 39.925 1 ATOM 863 O OE1 . GLU 32 1212 ? B -33.254 18.689 24.597 1.000 2 B 39.925 1 ATOM 864 O OE2 . GLU 32 1212 ? B -34.668 18.955 22.934 1.000 2 B 39.925 1 ATOM 865 N N . THR 33 1213 ? B -35.038 13.901 26.792 1.000 2 B 43.828 1 ATOM 866 C CA . THR 33 1213 ? B -35.232 14.472 28.120 1.000 2 B 43.828 1 ATOM 867 C C . THR 33 1213 ? B -35.107 13.396 29.195 1.000 2 B 43.828 1 ATOM 868 O O . THR 33 1213 ? B -35.619 12.286 29.032 1.000 2 B 43.828 1 ATOM 869 C CB . THR 33 1213 ? B -36.603 15.162 28.237 1.000 2 B 43.828 1 ATOM 870 O OG1 . THR 33 1213 ? B -37.623 14.266 27.777 1.000 2 B 43.828 1 ATOM 871 C CG2 . THR 33 1213 ? B -36.650 16.438 27.403 1.000 2 B 43.828 1 ATOM 872 N N . ARG 34 1214 ? B -33.981 13.307 29.988 1.000 2 B 52.277 1 ATOM 873 C CA . ARG 34 1214 ? B -33.957 13.589 31.419 1.000 2 B 52.277 1 ATOM 874 C C . ARG 34 1214 ? B -33.791 12.307 32.227 1.000 2 B 52.277 1 ATOM 875 O O . ARG 34 1214 ? B -34.424 11.292 31.927 1.000 2 B 52.277 1 ATOM 876 C CB . ARG 34 1214 ? B -35.234 14.316 31.846 1.000 2 B 52.277 1 ATOM 877 C CG . ARG 34 1214 ? B -34.983 15.566 32.675 1.000 2 B 52.277 1 ATOM 878 C CD . ARG 34 1214 ? B -36.250 16.043 33.372 1.000 2 B 52.277 1 ATOM 879 N NE . ARG 34 1214 ? B -36.128 15.965 34.825 1.000 2 B 52.277 1 ATOM 880 C CZ . ARG 34 1214 ? B -35.561 16.894 35.590 1.000 2 B 52.277 1 ATOM 881 N NH1 . ARG 34 1214 ? B -35.052 17.997 35.052 1.000 2 B 52.277 1 ATOM 882 N NH2 . ARG 34 1214 ? B -35.504 16.721 36.902 1.000 2 B 52.277 1 ATOM 883 N N . GLU 35 1215 ? B -32.643 12.072 32.861 1.000 2 B 45.660 1 ATOM 884 C CA . GLU 35 1215 ? B -32.165 11.952 34.235 1.000 2 B 45.660 1 ATOM 885 C C . GLU 35 1215 ? B -32.963 10.904 35.007 1.000 2 B 45.660 1 ATOM 886 O O . GLU 35 1215 ? B -34.193 10.875 34.934 1.000 2 B 45.660 1 ATOM 887 C CB . GLU 35 1215 ? B -32.241 13.303 34.951 1.000 2 B 45.660 1 ATOM 888 C CG . GLU 35 1215 ? B -33.607 13.605 35.551 1.000 2 B 45.660 1 ATOM 889 C CD . GLU 35 1215 ? B -33.662 14.941 36.275 1.000 2 B 45.660 1 ATOM 890 O OE1 . GLU 35 1215 ? B -34.366 15.861 35.799 1.000 2 B 45.660 1 ATOM 891 O OE2 . GLU 35 1215 ? B -32.995 15.070 37.325 1.000 2 B 45.660 1 ATOM 892 N N . ASN 36 1216 ? B -32.492 9.674 35.127 1.000 2 B 44.698 1 ATOM 893 C CA . ASN 36 1216 ? B -32.727 8.919 36.354 1.000 2 B 44.698 1 ATOM 894 C C . ASN 36 1216 ? B -31.840 7.680 36.428 1.000 2 B 44.698 1 ATOM 895 O O . ASN 36 1216 ? B -31.893 6.820 35.547 1.000 2 B 44.698 1 ATOM 896 C CB . ASN 36 1216 ? B -34.201 8.525 36.468 1.000 2 B 44.698 1 ATOM 897 C CG . ASN 36 1216 ? B -34.650 8.356 37.906 1.000 2 B 44.698 1 ATOM 898 O OD1 . ASN 36 1216 ? B -34.427 9.232 38.746 1.000 2 B 44.698 1 ATOM 899 N ND2 . ASN 36 1216 ? B -35.288 7.229 38.200 1.000 2 B 44.698 1 ATOM 900 N N . GLY 37 1217 ? B -30.567 7.648 36.999 1.000 2 B 39.740 1 ATOM 901 C CA . GLY 37 1217 ? B -30.147 6.993 38.227 1.000 2 B 39.740 1 ATOM 902 C C . GLY 37 1217 ? B -30.631 5.559 38.335 1.000 2 B 39.740 1 ATOM 903 O O . GLY 37 1217 ? B -31.836 5.300 38.292 1.000 2 B 39.740 1 ATOM 904 N N . LEU 38 1218 ? B -29.821 4.550 38.000 1.000 2 B 48.242 1 ATOM 905 C CA . LEU 38 1218 ? B -29.947 3.365 38.841 1.000 2 B 48.242 1 ATOM 906 C C . LEU 38 1218 ? B -29.143 2.203 38.266 1.000 2 B 48.242 1 ATOM 907 O O . LEU 38 1218 ? B -29.303 1.851 37.095 1.000 2 B 48.242 1 ATOM 908 C CB . LEU 38 1218 ? B -31.417 2.962 38.983 1.000 2 B 48.242 1 ATOM 909 C CG . LEU 38 1218 ? B -31.764 2.072 40.177 1.000 2 B 48.242 1 ATOM 910 C CD1 . LEU 38 1218 ? B -32.614 2.841 41.183 1.000 2 B 48.242 1 ATOM 911 C CD2 . LEU 38 1218 ? B -32.486 0.812 39.712 1.000 2 B 48.242 1 ATOM 912 N N . GLU 39 1219 ? B -27.876 1.999 38.664 1.000 2 B 46.573 1 ATOM 913 C CA . GLU 39 1219 ? B -27.442 0.827 39.420 1.000 2 B 46.573 1 ATOM 914 C C . GLU 39 1219 ? B -26.134 0.268 38.868 1.000 2 B 46.573 1 ATOM 915 O O . GLU 39 1219 ? B -26.012 0.034 37.663 1.000 2 B 46.573 1 ATOM 916 C CB . GLU 39 1219 ? B -28.525 -0.254 39.405 1.000 2 B 46.573 1 ATOM 917 C CG . GLU 39 1219 ? B -28.172 -1.489 40.221 1.000 2 B 46.573 1 ATOM 918 C CD . GLU 39 1219 ? B -29.193 -1.805 41.302 1.000 2 B 46.573 1 ATOM 919 O OE1 . GLU 39 1219 ? B -30.286 -2.319 40.973 1.000 2 B 46.573 1 ATOM 920 O OE2 . GLU 39 1219 ? B -28.898 -1.536 42.488 1.000 2 B 46.573 1 ATOM 921 N N . GLU 40 1220 ? B -25.002 0.705 39.254 1.000 2 B 40.365 1 ATOM 922 C CA . GLU 40 1220 ? B -23.723 0.068 39.552 1.000 2 B 40.365 1 ATOM 923 C C . GLU 40 1220 ? B -23.911 -1.400 39.924 1.000 2 B 40.365 1 ATOM 924 O O . GLU 40 1220 ? B -24.629 -1.718 40.874 1.000 2 B 40.365 1 ATOM 925 C CB . GLU 40 1220 ? B -23.004 0.809 40.682 1.000 2 B 40.365 1 ATOM 926 C CG . GLU 40 1220 ? B -22.548 2.211 40.305 1.000 2 B 40.365 1 ATOM 927 C CD . GLU 40 1220 ? B -21.774 2.908 41.413 1.000 2 B 40.365 1 ATOM 928 O OE1 . GLU 40 1220 ? B -20.531 2.767 41.466 1.000 2 B 40.365 1 ATOM 929 O OE2 . GLU 40 1220 ? B -22.415 3.601 42.234 1.000 2 B 40.365 1 ATOM 930 N N . CYS 41 1221 ? B -24.177 -2.329 39.028 1.000 2 B 45.933 1 ATOM 931 C CA . CYS 41 1221 ? B -23.885 -3.741 39.249 1.000 2 B 45.933 1 ATOM 932 C C . CYS 41 1221 ? B -22.388 -4.010 39.152 1.000 2 B 45.933 1 ATOM 933 O O . CYS 41 1221 ? B -21.753 -3.659 38.156 1.000 2 B 45.933 1 ATOM 934 C CB . CYS 41 1221 ? B -24.635 -4.608 38.238 1.000 2 B 45.933 1 ATOM 935 S SG . CYS 41 1221 ? B -26.340 -4.969 38.711 1.000 2 B 45.933 1 ATOM 936 N N . ALA 42 1222 ? B -21.601 -3.627 40.146 1.000 2 B 44.762 1 ATOM 937 C CA . ALA 42 1222 ? B -20.651 -4.389 40.953 1.000 2 B 44.762 1 ATOM 938 C C . ALA 42 1222 ? B -20.514 -5.818 40.435 1.000 2 B 44.762 1 ATOM 939 O O . ALA 42 1222 ? B -21.424 -6.634 40.598 1.000 2 B 44.762 1 ATOM 940 C CB . ALA 42 1222 ? B -21.081 -4.396 42.417 1.000 2 B 44.762 1 ATOM 941 N N . GLY 43 1223 ? B -19.919 -6.149 39.304 1.000 2 B 44.540 1 ATOM 942 C CA . GLY 43 1223 ? B -19.405 -7.507 39.221 1.000 2 B 44.540 1 ATOM 943 C C . GLY 43 1223 ? B -17.905 -7.565 39.001 1.000 2 B 44.540 1 ATOM 944 O O . GLY 43 1223 ? B -17.378 -6.906 38.103 1.000 2 B 44.540 1 ATOM 945 N N . GLU 44 1224 ? B -17.071 -7.248 39.979 1.000 2 B 40.328 1 ATOM 946 C CA . GLU 44 1224 ? B -15.841 -7.876 40.450 1.000 2 B 40.328 1 ATOM 947 C C . GLU 44 1224 ? B -15.055 -8.487 39.293 1.000 2 B 40.328 1 ATOM 948 O O . GLU 44 1224 ? B -15.637 -9.099 38.395 1.000 2 B 40.328 1 ATOM 949 C CB . GLU 44 1224 ? B -16.151 -8.948 41.499 1.000 2 B 40.328 1 ATOM 950 C CG . GLU 44 1224 ? B -16.364 -8.394 42.900 1.000 2 B 40.328 1 ATOM 951 C CD . GLU 44 1224 ? B -16.907 -9.425 43.877 1.000 2 B 40.328 1 ATOM 952 O OE1 . GLU 44 1224 ? B -16.107 -10.200 44.448 1.000 2 B 40.328 1 ATOM 953 O OE2 . GLU 44 1224 ? B -18.143 -9.458 44.071 1.000 2 B 40.328 1 ATOM 954 N N . PRO 45 1225 ? B -13.794 -8.094 38.977 1.000 2 B 42.729 1 ATOM 955 C CA . PRO 45 1225 ? B -12.728 -8.609 38.115 1.000 2 B 42.729 1 ATOM 956 C C . PRO 45 1225 ? B -12.208 -9.971 38.570 1.000 2 B 42.729 1 ATOM 957 O O . PRO 45 1225 ? B -12.026 -10.198 39.769 1.000 2 B 42.729 1 ATOM 958 C CB . PRO 45 1225 ? B -11.636 -7.542 38.229 1.000 2 B 42.729 1 ATOM 959 C CG . PRO 45 1225 ? B -11.909 -6.854 39.527 1.000 2 B 42.729 1 ATOM 960 C CD . PRO 45 1225 ? B -13.259 -7.286 40.022 1.000 2 B 42.729 1 ATOM 961 N N . LEU 46 1226 ? B -12.769 -11.117 38.297 1.000 2 B 43.215 1 ATOM 962 C CA . LEU 46 1226 ? B -12.157 -12.425 38.500 1.000 2 B 43.215 1 ATOM 963 C C . LEU 46 1226 ? B -10.930 -12.596 37.611 1.000 2 B 43.215 1 ATOM 964 O O . LEU 46 1226 ? B -11.015 -12.436 36.391 1.000 2 B 43.215 1 ATOM 965 C CB . LEU 46 1226 ? B -13.168 -13.539 38.213 1.000 2 B 43.215 1 ATOM 966 C CG . LEU 46 1226 ? B -14.493 -13.465 38.973 1.000 2 B 43.215 1 ATOM 967 C CD1 . LEU 46 1226 ? B -15.482 -14.483 38.415 1.000 2 B 43.215 1 ATOM 968 C CD2 . LEU 46 1226 ? B -14.268 -13.692 40.464 1.000 2 B 43.215 1 ATOM 969 N N . SER 47 1227 ? B -9.738 -12.065 37.843 1.000 2 B 42.349 1 ATOM 970 C CA . SER 47 1227 ? B -8.398 -12.622 37.996 1.000 2 B 42.349 1 ATOM 971 C C . SER 47 1227 ? B -8.439 -14.144 38.091 1.000 2 B 42.349 1 ATOM 972 O O . SER 47 1227 ? B -9.041 -14.697 39.013 1.000 2 B 42.349 1 ATOM 973 C CB . SER 47 1227 ? B -7.715 -12.044 39.236 1.000 2 B 42.349 1 ATOM 974 O OG . SER 47 1227 ? B -7.971 -10.655 39.350 1.000 2 B 42.349 1 ATOM 975 N N . ALA 48 1228 ? B -8.481 -14.958 37.061 1.000 2 B 40.784 1 ATOM 976 C CA . ALA 48 1228 ? B -7.988 -16.318 37.259 1.000 2 B 40.784 1 ATOM 977 C C . ALA 48 1228 ? B -6.982 -16.700 36.178 1.000 2 B 40.784 1 ATOM 978 O O . ALA 48 1228 ? B -7.311 -16.706 34.989 1.000 2 B 40.784 1 ATOM 979 C CB . ALA 48 1228 ? B -9.150 -17.308 37.275 1.000 2 B 40.784 1 ATOM 980 N N . ASP 49 1229 ? B -5.834 -16.227 36.098 1.000 2 B 36.867 1 ATOM 981 C CA . ASP 49 1229 ? B -4.646 -17.014 35.782 1.000 2 B 36.867 1 ATOM 982 C C . ASP 49 1229 ? B -4.512 -18.208 36.724 1.000 2 B 36.867 1 ATOM 983 O O . ASP 49 1229 ? B -4.445 -18.038 37.944 1.000 2 B 36.867 1 ATOM 984 C CB . ASP 49 1229 ? B -3.391 -16.142 35.854 1.000 2 B 36.867 1 ATOM 985 C CG . ASP 49 1229 ? B -2.143 -16.858 35.366 1.000 2 B 36.867 1 ATOM 986 O OD1 . ASP 49 1229 ? B -1.318 -17.285 36.203 1.000 2 B 36.867 1 ATOM 987 O OD2 . ASP 49 1229 ? B -1.982 -16.995 34.134 1.000 2 B 36.867 1 ATOM 988 N N . PRO 50 1230 ? B -4.662 -19.511 36.256 1.000 2 B 44.006 1 ATOM 989 C CA . PRO 50 1230 ? B -3.620 -20.458 36.661 1.000 2 B 44.006 1 ATOM 990 C C . PRO 50 1230 ? B -3.209 -21.400 35.531 1.000 2 B 44.006 1 ATOM 991 O O . PRO 50 1230 ? B -4.032 -21.747 34.681 1.000 2 B 44.006 1 ATOM 992 C CB . PRO 50 1230 ? B -4.274 -21.234 37.807 1.000 2 B 44.006 1 ATOM 993 C CG . PRO 50 1230 ? B -5.719 -21.323 37.433 1.000 2 B 44.006 1 ATOM 994 C CD . PRO 50 1230 ? B -5.954 -20.456 36.229 1.000 2 B 44.006 1 ATOM 995 N N . GLU 51 1231 ? B -2.163 -21.163 34.733 1.000 2 B 37.898 1 ATOM 996 C CA . GLU 51 1231 ? B -1.138 -22.200 34.664 1.000 2 B 37.898 1 ATOM 997 C C . GLU 51 1231 ? B -1.739 -23.586 34.883 1.000 2 B 37.898 1 ATOM 998 O O . GLU 51 1231 ? B -2.038 -23.967 36.016 1.000 2 B 37.898 1 ATOM 999 C CB . GLU 51 1231 ? B -0.036 -21.936 35.694 1.000 2 B 37.898 1 ATOM 1000 C CG . GLU 51 1231 ? B 0.974 -20.885 35.258 1.000 2 B 37.898 1 ATOM 1001 C CD . GLU 51 1231 ? B 2.404 -21.231 35.643 1.000 2 B 37.898 1 ATOM 1002 O OE1 . GLU 51 1231 ? B 3.169 -21.703 34.772 1.000 2 B 37.898 1 ATOM 1003 O OE2 . GLU 51 1231 ? B 2.761 -21.028 36.825 1.000 2 B 37.898 1 ATOM 1004 N N . ALA 52 1232 ? B -2.473 -24.109 34.034 1.000 2 B 42.917 1 ATOM 1005 C CA . ALA 52 1232 ? B -2.631 -25.522 33.700 1.000 2 B 42.917 1 ATOM 1006 C C . ALA 52 1232 ? B -1.322 -26.113 33.182 1.000 2 B 42.917 1 ATOM 1007 O O . ALA 52 1232 ? B -0.889 -25.799 32.071 1.000 2 B 42.917 1 ATOM 1008 C CB . ALA 52 1232 ? B -3.739 -25.704 32.665 1.000 2 B 42.917 1 ATOM 1009 N N . ARG 53 1233 ? B -0.190 -26.008 33.837 1.000 2 B 42.003 1 ATOM 1010 C CA . ARG 53 1233 ? B 0.843 -27.022 34.023 1.000 2 B 42.003 1 ATOM 1011 C C . ARG 53 1233 ? B 0.263 -28.287 34.648 1.000 2 B 42.003 1 ATOM 1012 O O . ARG 53 1233 ? B -0.079 -28.299 35.833 1.000 2 B 42.003 1 ATOM 1013 C CB . ARG 53 1233 ? B 1.979 -26.481 34.893 1.000 2 B 42.003 1 ATOM 1014 C CG . ARG 53 1233 ? B 2.808 -25.398 34.221 1.000 2 B 42.003 1 ATOM 1015 C CD . ARG 53 1233 ? B 4.263 -25.816 34.065 1.000 2 B 42.003 1 ATOM 1016 N NE . ARG 53 1233 ? B 5.176 -24.755 34.480 1.000 2 B 42.003 1 ATOM 1017 C CZ . ARG 53 1233 ? B 6.493 -24.895 34.608 1.000 2 B 42.003 1 ATOM 1018 N NH1 . ARG 53 1233 ? B 7.079 -26.060 34.354 1.000 2 B 42.003 1 ATOM 1019 N NH2 . ARG 53 1233 ? B 7.230 -23.864 34.993 1.000 2 B 42.003 1 ATOM 1020 N N . ARG 54 1234 ? B -0.491 -29.184 34.050 1.000 2 B 42.682 1 ATOM 1021 C CA . ARG 54 1234 ? B -0.379 -30.566 34.506 1.000 2 B 42.682 1 ATOM 1022 C C . ARG 54 1234 ? B -1.445 -31.444 33.859 1.000 2 B 42.682 1 ATOM 1023 O O . ARG 54 1234 ? B -2.627 -31.343 34.194 1.000 2 B 42.682 1 ATOM 1024 C CB . ARG 54 1234 ? B -0.492 -30.641 36.030 1.000 2 B 42.682 1 ATOM 1025 C CG . ARG 54 1234 ? B 0.837 -30.494 36.754 1.000 2 B 42.682 1 ATOM 1026 C CD . ARG 54 1234 ? B 0.765 -31.027 38.178 1.000 2 B 42.682 1 ATOM 1027 N NE . ARG 54 1234 ? B 2.088 -31.101 38.793 1.000 2 B 42.682 1 ATOM 1028 C CZ . ARG 54 1234 ? B 2.518 -30.300 39.764 1.000 2 B 42.682 1 ATOM 1029 N NH1 . ARG 54 1234 ? B 1.735 -29.345 40.252 1.000 2 B 42.682 1 ATOM 1030 N NH2 . ARG 54 1234 ? B 3.740 -30.456 40.252 1.000 2 B 42.682 1 ATOM 1031 N N . LEU 55 1235 ? B -1.422 -31.882 32.546 1.000 2 B 49.693 1 ATOM 1032 C CA . LEU 55 1235 ? B -1.905 -33.245 32.357 1.000 2 B 49.693 1 ATOM 1033 C C . LEU 55 1235 ? B -1.234 -33.898 31.153 1.000 2 B 49.693 1 ATOM 1034 O O . LEU 55 1235 ? B -1.245 -33.340 30.054 1.000 2 B 49.693 1 ATOM 1035 C CB . LEU 55 1235 ? B -3.425 -33.256 32.177 1.000 2 B 49.693 1 ATOM 1036 C CG . LEU 55 1235 ? B -4.259 -33.049 33.442 1.000 2 B 49.693 1 ATOM 1037 C CD1 . LEU 55 1235 ? B -5.719 -32.794 33.079 1.000 2 B 49.693 1 ATOM 1038 C CD2 . LEU 55 1235 ? B -4.136 -34.254 34.368 1.000 2 B 49.693 1 ATOM 1039 N N . LEU 56 1236 ? B -0.053 -34.493 31.078 1.000 2 B 38.065 1 ATOM 1040 C CA . LEU 56 1236 ? B 0.150 -35.934 30.967 1.000 2 B 38.065 1 ATOM 1041 C C . LEU 56 1236 ? B -0.513 -36.481 29.707 1.000 2 B 38.065 1 ATOM 1042 O O . LEU 56 1236 ? B -1.732 -36.384 29.550 1.000 2 B 38.065 1 ATOM 1043 C CB . LEU 56 1236 ? B -0.406 -36.649 32.202 1.000 2 B 38.065 1 ATOM 1044 C CG . LEU 56 1236 ? B 0.617 -37.355 33.094 1.000 2 B 38.065 1 ATOM 1045 C CD1 . LEU 56 1236 ? B 1.330 -36.343 33.985 1.000 2 B 38.065 1 ATOM 1046 C CD2 . LEU 56 1236 ? B -0.060 -38.432 33.935 1.000 2 B 38.065 1 ATOM 1047 N N . GLY 57 1237 ? B 0.194 -36.693 28.628 1.000 2 B 30.443 1 ATOM 1048 C CA . GLY 57 1237 ? B 0.489 -37.932 27.926 1.000 2 B 30.443 1 ATOM 1049 C C . GLY 57 1237 ? B -0.634 -38.380 27.009 1.000 2 B 30.443 1 ATOM 1050 O O . GLY 57 1237 ? B -1.808 -38.132 27.291 1.000 2 B 30.443 1 ATOM 1051 N N . PRO 58 1238 ? B -0.256 -39.173 25.896 1.000 2 B 45.413 1 ATOM 1052 C CA . PRO 58 1238 ? B 0.754 -39.785 25.029 1.000 2 B 45.413 1 ATOM 1053 C C . PRO 58 1238 ? B 0.411 -39.664 23.547 1.000 2 B 45.413 1 ATOM 1054 O O . PRO 58 1238 ? B -0.719 -39.311 23.198 1.000 2 B 45.413 1 ATOM 1055 C CB . PRO 58 1238 ? B 0.757 -41.250 25.471 1.000 2 B 45.413 1 ATOM 1056 C CG . PRO 58 1238 ? B -0.664 -41.545 25.827 1.000 2 B 45.413 1 ATOM 1057 C CD . PRO 58 1238 ? B -1.454 -40.271 25.730 1.000 2 B 45.413 1 ATOM 1058 N N . ALA 59 1239 ? B 1.277 -39.224 22.717 1.000 2 B 37.264 1 ATOM 1059 C CA . ALA 59 1239 ? B 1.707 -39.856 21.472 1.000 2 B 37.264 1 ATOM 1060 C C . ALA 59 1239 ? B 0.552 -40.596 20.804 1.000 2 B 37.264 1 ATOM 1061 O O . ALA 59 1239 ? B -0.106 -41.428 21.433 1.000 2 B 37.264 1 ATOM 1062 C CB . ALA 59 1239 ? B 2.867 -40.813 21.735 1.000 2 B 37.264 1 ATOM 1063 N N . PRO 60 1240 ? B 0.087 -40.155 19.644 1.000 2 B 53.654 1 ATOM 1064 C CA . PRO 60 1240 ? B 0.008 -41.097 18.525 1.000 2 B 53.654 1 ATOM 1065 C C . PRO 60 1240 ? B 0.898 -40.694 17.351 1.000 2 B 53.654 1 ATOM 1066 O O . PRO 60 1240 ? B 1.139 -39.503 17.135 1.000 2 B 53.654 1 ATOM 1067 C CB . PRO 60 1240 ? B -1.470 -41.052 18.131 1.000 2 B 53.654 1 ATOM 1068 C CG . PRO 60 1240 ? B -1.906 -39.657 18.440 1.000 2 B 53.654 1 ATOM 1069 C CD . PRO 60 1240 ? B -0.767 -38.937 19.104 1.000 2 B 53.654 1 ATOM 1070 N N . GLU 61 1241 ? B 2.140 -41.182 17.260 1.000 2 B 44.903 1 ATOM 1071 C CA . GLU 61 1241 ? B 2.724 -41.810 16.078 1.000 2 B 44.903 1 ATOM 1072 C C . GLU 61 1241 ? B 1.659 -42.098 15.024 1.000 2 B 44.903 1 ATOM 1073 O O . GLU 61 1241 ? B 0.699 -42.826 15.286 1.000 2 B 44.903 1 ATOM 1074 C CB . GLU 61 1241 ? B 3.450 -43.103 16.459 1.000 2 B 44.903 1 ATOM 1075 C CG . GLU 61 1241 ? B 3.589 -43.311 17.960 1.000 2 B 44.903 1 ATOM 1076 C CD . GLU 61 1241 ? B 4.369 -44.564 18.323 1.000 2 B 44.903 1 ATOM 1077 O OE1 . GLU 61 1241 ? B 5.610 -44.485 18.469 1.000 2 B 44.903 1 ATOM 1078 O OE2 . GLU 61 1241 ? B 3.735 -45.634 18.461 1.000 2 B 44.903 1 ATOM 1079 N N . ASP 62 1242 ? B 1.235 -41.204 14.209 1.000 2 B 57.252 1 ATOM 1080 C CA . ASP 62 1242 ? B 0.627 -41.501 12.916 1.000 2 B 57.252 1 ATOM 1081 C C . ASP 62 1242 ? B 1.545 -41.086 11.769 1.000 2 B 57.252 1 ATOM 1082 O O . ASP 62 1242 ? B 1.846 -39.902 11.605 1.000 2 B 57.252 1 ATOM 1083 C CB . ASP 62 1242 ? B -0.727 -40.799 12.786 1.000 2 B 57.252 1 ATOM 1084 C CG . ASP 62 1242 ? B -1.504 -41.234 11.556 1.000 2 B 57.252 1 ATOM 1085 O OD1 . ASP 62 1242 ? B -1.548 -40.477 10.563 1.000 2 B 57.252 1 ATOM 1086 O OD2 . ASP 62 1242 ? B -2.081 -42.343 11.582 1.000 2 B 57.252 1 ATOM 1087 N N . ASP 63 1243 ? B 2.523 -41.922 11.475 1.000 2 B 45.405 1 ATOM 1088 C CA . ASP 63 1243 ? B 2.853 -42.760 10.326 1.000 2 B 45.405 1 ATOM 1089 C C . ASP 63 1243 ? B 2.012 -42.380 9.110 1.000 2 B 45.405 1 ATOM 1090 O O . ASP 63 1243 ? B 0.808 -42.641 9.076 1.000 2 B 45.405 1 ATOM 1091 C CB . ASP 63 1243 ? B 2.653 -44.238 10.664 1.000 2 B 45.405 1 ATOM 1092 C CG . ASP 63 1243 ? B 3.188 -45.170 9.591 1.000 2 B 45.405 1 ATOM 1093 O OD1 . ASP 63 1243 ? B 2.384 -45.730 8.814 1.000 2 B 45.405 1 ATOM 1094 O OD2 . ASP 63 1243 ? B 4.423 -45.348 9.523 1.000 2 B 45.405 1 ATOM 1095 N N . GLY 64 1244 ? B 2.274 -41.398 8.335 1.000 2 B 45.741 1 ATOM 1096 C CA . GLY 64 1244 ? B 1.963 -41.532 6.921 1.000 2 B 45.741 1 ATOM 1097 C C . GLY 64 1244 ? B 2.905 -40.748 6.026 1.000 2 B 45.741 1 ATOM 1098 O O . GLY 64 1244 ? B 3.100 -39.547 6.223 1.000 2 B 45.741 1 ATOM 1099 N N . GLY 65 1245 ? B 4.086 -41.223 5.746 1.000 2 B 39.936 1 ATOM 1100 C CA . GLY 65 1245 ? B 4.684 -41.615 4.479 1.000 2 B 39.936 1 ATOM 1101 C C . GLY 65 1245 ? B 3.850 -41.214 3.277 1.000 2 B 39.936 1 ATOM 1102 O O . GLY 65 1245 ? B 2.675 -41.575 3.181 1.000 2 B 39.936 1 ATOM 1103 N N . HIS 66 1246 ? B 3.840 -39.979 2.802 1.000 2 B 50.104 1 ATOM 1104 C CA . HIS 66 1246 ? B 3.560 -39.833 1.379 1.000 2 B 50.104 1 ATOM 1105 C C . HIS 66 1246 ? B 4.675 -39.067 0.673 1.000 2 B 50.104 1 ATOM 1106 O O . HIS 66 1246 ? B 5.148 -38.047 1.178 1.000 2 B 50.104 1 ATOM 1107 C CB . HIS 66 1246 ? B 2.221 -39.124 1.167 1.000 2 B 50.104 1 ATOM 1108 C CG . HIS 66 1246 ? B 1.047 -40.050 1.153 1.000 2 B 50.104 1 ATOM 1109 N ND1 . HIS 66 1246 ? B -0.081 -39.834 1.915 1.000 2 B 50.104 1 ATOM 1110 C CD2 . HIS 66 1246 ? B 0.826 -41.195 0.466 1.000 2 B 50.104 1 ATOM 1111 C CE1 . HIS 66 1246 ? B -0.946 -40.810 1.697 1.000 2 B 50.104 1 ATOM 1112 N NE2 . HIS 66 1246 ? B -0.420 -41.649 0.821 1.000 2 B 50.104 1 ATOM 1113 N N . ASN 67 1247 ? B 5.706 -39.697 0.292 1.000 2 B 45.269 1 ATOM 1114 C CA . ASN 67 1247 ? B 6.076 -39.932 -1.100 1.000 2 B 45.269 1 ATOM 1115 C C . ASN 67 1247 ? B 6.892 -38.774 -1.666 1.000 2 B 45.269 1 ATOM 1116 O O . ASN 67 1247 ? B 6.405 -37.645 -1.744 1.000 2 B 45.269 1 ATOM 1117 C CB . ASN 67 1247 ? B 4.829 -40.170 -1.953 1.000 2 B 45.269 1 ATOM 1118 C CG . ASN 67 1247 ? B 5.111 -41.025 -3.174 1.000 2 B 45.269 1 ATOM 1119 O OD1 . ASN 67 1247 ? B 6.084 -41.783 -3.204 1.000 2 B 45.269 1 ATOM 1120 N ND2 . ASN 67 1247 ? B 4.262 -40.908 -4.188 1.000 2 B 45.269 1 ATOM 1121 N N . ASP 68 1248 ? B 8.160 -38.683 -1.316 1.000 2 B 42.180 1 ATOM 1122 C CA . ASP 68 1248 ? B 9.310 -38.529 -2.202 1.000 2 B 42.180 1 ATOM 1123 C C . ASP 68 1248 ? B 9.033 -39.139 -3.573 1.000 2 B 42.180 1 ATOM 1124 O O . ASP 68 1248 ? B 8.711 -40.325 -3.678 1.000 2 B 42.180 1 ATOM 1125 C CB . ASP 68 1248 ? B 10.554 -39.170 -1.582 1.000 2 B 42.180 1 ATOM 1126 C CG . ASP 68 1248 ? B 11.846 -38.701 -2.226 1.000 2 B 42.180 1 ATOM 1127 O OD1 . ASP 68 1248 ? B 12.345 -39.372 -3.154 1.000 2 B 42.180 1 ATOM 1128 O OD2 . ASP 68 1248 ? B 12.373 -37.651 -1.798 1.000 2 B 42.180 1 ATOM 1129 N N . HIS 69 1249 ? B 8.300 -38.496 -4.582 1.000 2 B 47.259 1 ATOM 1130 C CA . HIS 69 1249 ? B 8.651 -38.758 -5.974 1.000 2 B 47.259 1 ATOM 1131 C C . HIS 69 1249 ? B 7.782 -37.941 -6.924 1.000 2 B 47.259 1 ATOM 1132 O O . HIS 69 1249 ? B 6.589 -38.215 -7.071 1.000 2 B 47.259 1 ATOM 1133 C CB . HIS 69 1249 ? B 8.515 -40.249 -6.289 1.000 2 B 47.259 1 ATOM 1134 C CG . HIS 69 1249 ? B 9.800 -40.894 -6.701 1.000 2 B 47.259 1 ATOM 1135 N ND1 . HIS 69 1249 ? B 10.803 -41.193 -5.804 1.000 2 B 47.259 1 ATOM 1136 C CD2 . HIS 69 1249 ? B 10.243 -41.300 -7.914 1.000 2 B 47.259 1 ATOM 1137 C CE1 . HIS 69 1249 ? B 11.811 -41.756 -6.451 1.000 2 B 47.259 1 ATOM 1138 N NE2 . HIS 69 1249 ? B 11.496 -41.832 -7.732 1.000 2 B 47.259 1 ATOM 1139 N N . SER 70 1250 ? B 8.008 -36.735 -7.168 1.000 2 B 51.411 1 ATOM 1140 C CA . SER 70 1250 ? B 7.861 -36.545 -8.607 1.000 2 B 51.411 1 ATOM 1141 C C . SER 70 1250 ? B 8.722 -35.389 -9.103 1.000 2 B 51.411 1 ATOM 1142 O O . SER 70 1250 ? B 8.542 -34.246 -8.677 1.000 2 B 51.411 1 ATOM 1143 C CB . SER 70 1250 ? B 6.397 -36.292 -8.968 1.000 2 B 51.411 1 ATOM 1144 O OG . SER 70 1250 ? B 5.592 -37.405 -8.615 1.000 2 B 51.411 1 ATOM 1145 N N . GLN 71 1251 ? B 10.028 -35.424 -9.149 1.000 2 B 45.529 1 ATOM 1146 C CA . GLN 71 1251 ? B 10.779 -35.144 -10.369 1.000 2 B 45.529 1 ATOM 1147 C C . GLN 71 1251 ? B 9.899 -35.307 -11.605 1.000 2 B 45.529 1 ATOM 1148 O O . GLN 71 1251 ? B 9.378 -36.394 -11.864 1.000 2 B 45.529 1 ATOM 1149 C CB . GLN 71 1251 ? B 12.001 -36.057 -10.470 1.000 2 B 45.529 1 ATOM 1150 C CG . GLN 71 1251 ? B 13.320 -35.354 -10.178 1.000 2 B 45.529 1 ATOM 1151 C CD . GLN 71 1251 ? B 14.316 -35.479 -11.315 1.000 2 B 45.529 1 ATOM 1152 O OE1 . GLN 71 1251 ? B 14.027 -35.102 -12.455 1.000 2 B 45.529 1 ATOM 1153 N NE2 . GLN 71 1251 ? B 15.496 -36.011 -11.015 1.000 2 B 45.529 1 ATOM 1154 N N . PRO 72 1252 ? B 9.464 -34.247 -12.278 1.000 2 B 58.621 1 ATOM 1155 C CA . PRO 72 1252 ? B 9.449 -34.320 -13.741 1.000 2 B 58.621 1 ATOM 1156 C C . PRO 72 1252 ? B 10.621 -33.579 -14.380 1.000 2 B 58.621 1 ATOM 1157 O O . PRO 72 1252 ? B 11.087 -32.572 -13.841 1.000 2 B 58.621 1 ATOM 1158 C CB . PRO 72 1252 ? B 8.118 -33.661 -14.113 1.000 2 B 58.621 1 ATOM 1159 C CG . PRO 72 1252 ? B 7.807 -32.754 -12.967 1.000 2 B 58.621 1 ATOM 1160 C CD . PRO 72 1252 ? B 8.782 -33.033 -11.860 1.000 2 B 58.621 1 ATOM 1161 N N . GLN 73 1253 ? B 11.781 -34.179 -14.613 1.000 2 B 44.135 1 ATOM 1162 C CA . GLN 73 1253 ? B 12.420 -34.366 -15.911 1.000 2 B 44.135 1 ATOM 1163 C C . GLN 73 1253 ? B 12.226 -33.142 -16.802 1.000 2 B 44.135 1 ATOM 1164 O O . GLN 73 1253 ? B 11.108 -32.640 -16.940 1.000 2 B 44.135 1 ATOM 1165 C CB . GLN 73 1253 ? B 11.871 -35.613 -16.606 1.000 2 B 44.135 1 ATOM 1166 C CG . GLN 73 1253 ? B 12.414 -36.920 -16.043 1.000 2 B 44.135 1 ATOM 1167 C CD . GLN 73 1253 ? B 13.107 -37.768 -17.093 1.000 2 B 44.135 1 ATOM 1168 O OE1 . GLN 73 1253 ? B 12.481 -38.615 -17.739 1.000 2 B 44.135 1 ATOM 1169 N NE2 . GLN 73 1253 ? B 14.405 -37.548 -17.270 1.000 2 B 44.135 1 ATOM 1170 N N . ALA 74 1254 ? B 13.164 -32.266 -16.840 1.000 2 B 45.304 1 ATOM 1171 C CA . ALA 74 1254 ? B 14.007 -32.011 -18.004 1.000 2 B 45.304 1 ATOM 1172 C C . ALA 74 1254 ? B 13.269 -32.342 -19.299 1.000 2 B 45.304 1 ATOM 1173 O O . ALA 74 1254 ? B 12.787 -33.463 -19.477 1.000 2 B 45.304 1 ATOM 1174 C CB . ALA 74 1254 ? B 15.301 -32.817 -17.912 1.000 2 B 45.304 1 ATOM 1175 N N . SER 75 1255 ? B 12.435 -31.457 -19.865 1.000 2 B 51.740 1 ATOM 1176 C CA . SER 75 1255 ? B 12.323 -31.397 -21.319 1.000 2 B 51.740 1 ATOM 1177 C C . SER 75 1255 ? B 11.652 -30.104 -21.769 1.000 2 B 51.740 1 ATOM 1178 O O . SER 75 1255 ? B 10.522 -29.814 -21.372 1.000 2 B 51.740 1 ATOM 1179 C CB . SER 75 1255 ? B 11.539 -32.599 -21.847 1.000 2 B 51.740 1 ATOM 1180 O OG . SER 75 1255 ? B 12.011 -33.803 -21.267 1.000 2 B 51.740 1 ATOM 1181 N N . GLN 76 1256 ? B 12.305 -28.982 -21.916 1.000 2 B 54.224 1 ATOM 1182 C CA . GLN 76 1256 ? B 11.897 -28.456 -23.215 1.000 2 B 54.224 1 ATOM 1183 C C . GLN 76 1256 ? B 12.894 -27.420 -23.727 1.000 2 B 54.224 1 ATOM 1184 O O . GLN 76 1256 ? B 13.102 -26.384 -23.093 1.000 2 B 54.224 1 ATOM 1185 C CB . GLN 76 1256 ? B 10.499 -27.841 -23.130 1.000 2 B 54.224 1 ATOM 1186 C CG . GLN 76 1256 ? B 9.813 -27.686 -24.480 1.000 2 B 54.224 1 ATOM 1187 C CD . GLN 76 1256 ? B 8.480 -26.968 -24.382 1.000 2 B 54.224 1 ATOM 1188 O OE1 . GLN 76 1256 ? B 8.328 -26.016 -23.610 1.000 2 B 54.224 1 ATOM 1189 N NE2 . GLN 76 1256 ? B 7.504 -27.420 -25.162 1.000 2 B 54.224 1 ATOM 1190 N N . ASP 77 1257 ? B 14.108 -27.776 -24.042 1.000 2 B 48.704 1 ATOM 1191 C CA . ASP 77 1257 ? B 14.820 -27.470 -25.279 1.000 2 B 48.704 1 ATOM 1192 C C . ASP 77 1257 ? B 13.850 -27.310 -26.446 1.000 2 B 48.704 1 ATOM 1193 O O . ASP 77 1257 ? B 13.167 -28.263 -26.828 1.000 2 B 48.704 1 ATOM 1194 C CB . ASP 77 1257 ? B 15.844 -28.563 -25.592 1.000 2 B 48.704 1 ATOM 1195 C CG . ASP 77 1257 ? B 16.720 -28.230 -26.787 1.000 2 B 48.704 1 ATOM 1196 O OD1 . ASP 77 1257 ? B 16.476 -28.765 -27.890 1.000 2 B 48.704 1 ATOM 1197 O OD2 . ASP 77 1257 ? B 17.665 -27.428 -26.623 1.000 2 B 48.704 1 ATOM 1198 N N . GLN 78 1258 ? B 13.288 -26.068 -26.817 1.000 2 B 52.484 1 ATOM 1199 C CA . GLN 78 1258 ? B 13.142 -25.666 -28.212 1.000 2 B 52.484 1 ATOM 1200 C C . GLN 78 1258 ? B 13.725 -24.276 -28.448 1.000 2 B 52.484 1 ATOM 1201 O O . GLN 78 1258 ? B 13.340 -23.314 -27.780 1.000 2 B 52.484 1 ATOM 1202 C CB . GLN 78 1258 ? B 11.671 -25.697 -28.628 1.000 2 B 52.484 1 ATOM 1203 C CG . GLN 78 1258 ? B 11.069 -27.095 -28.660 1.000 2 B 52.484 1 ATOM 1204 C CD . GLN 78 1258 ? B 10.159 -27.316 -29.854 1.000 2 B 52.484 1 ATOM 1205 O OE1 . GLN 78 1258 ? B 10.622 -27.644 -30.952 1.000 2 B 52.484 1 ATOM 1206 N NE2 . GLN 78 1258 ? B 8.859 -27.137 -29.650 1.000 2 B 52.484 1 ATOM 1207 N N . ASP 79 1259 ? B 15.000 -24.034 -28.649 1.000 2 B 51.709 1 ATOM 1208 C CA . ASP 79 1259 ? B 15.449 -23.716 -30.001 1.000 2 B 51.709 1 ATOM 1209 C C . ASP 79 1259 ? B 14.624 -22.580 -30.601 1.000 2 B 51.709 1 ATOM 1210 O O . ASP 79 1259 ? B 13.394 -22.657 -30.648 1.000 2 B 51.709 1 ATOM 1211 C CB . ASP 79 1259 ? B 15.370 -24.953 -30.897 1.000 2 B 51.709 1 ATOM 1212 C CG . ASP 79 1259 ? B 16.215 -24.831 -32.153 1.000 2 B 51.709 1 ATOM 1213 O OD1 . ASP 79 1259 ? B 15.657 -24.567 -33.240 1.000 2 B 51.709 1 ATOM 1214 O OD2 . ASP 79 1259 ? B 17.450 -25.002 -32.055 1.000 2 B 51.709 1 ATOM 1215 N N . SER 80 1260 ? B 15.197 -21.342 -30.688 1.000 2 B 52.406 1 ATOM 1216 C CA . SER 80 1260 ? B 15.618 -20.534 -31.829 1.000 2 B 52.406 1 ATOM 1217 C C . SER 80 1260 ? B 14.448 -19.749 -32.411 1.000 2 B 52.406 1 ATOM 1218 O O . SER 80 1260 ? B 13.479 -20.336 -32.897 1.000 2 B 52.406 1 ATOM 1219 C CB . SER 80 1260 ? B 16.238 -21.418 -32.912 1.000 2 B 52.406 1 ATOM 1220 O OG . SER 80 1260 ? B 16.971 -22.484 -32.333 1.000 2 B 52.406 1 ATOM 1221 N N . HIS 81 1261 ? B 14.077 -18.585 -31.916 1.000 2 B 53.638 1 ATOM 1222 C CA . HIS 81 1261 ? B 13.794 -17.663 -33.010 1.000 2 B 53.638 1 ATOM 1223 C C . HIS 81 1261 ? B 14.592 -16.372 -32.864 1.000 2 B 53.638 1 ATOM 1224 O O . HIS 81 1261 ? B 14.480 -15.680 -31.849 1.000 2 B 53.638 1 ATOM 1225 C CB . HIS 81 1261 ? B 12.298 -17.351 -33.075 1.000 2 B 53.638 1 ATOM 1226 C CG . HIS 81 1261 ? B 11.436 -18.569 -33.185 1.000 2 B 53.638 1 ATOM 1227 N ND1 . HIS 81 1261 ? B 11.316 -19.292 -34.352 1.000 2 B 53.638 1 ATOM 1228 C CD2 . HIS 81 1261 ? B 10.654 -19.190 -32.272 1.000 2 B 53.638 1 ATOM 1229 C CE1 . HIS 81 1261 ? B 10.493 -20.308 -34.151 1.000 2 B 53.638 1 ATOM 1230 N NE2 . HIS 81 1261 ? B 10.078 -20.269 -32.896 1.000 2 B 53.638 1 ATOM 1231 N N . THR 82 1262 ? B 15.964 -16.240 -33.097 1.000 2 B 47.104 1 ATOM 1232 C CA . THR 82 1262 ? B 16.609 -15.356 -34.061 1.000 2 B 47.104 1 ATOM 1233 C C . THR 82 1262 ? B 15.642 -14.975 -35.178 1.000 2 B 47.104 1 ATOM 1234 O O . THR 82 1262 ? B 14.942 -15.834 -35.719 1.000 2 B 47.104 1 ATOM 1235 C CB . THR 82 1262 ? B 17.865 -16.011 -34.666 1.000 2 B 47.104 1 ATOM 1236 O OG1 . THR 82 1262 ? B 18.053 -17.304 -34.078 1.000 2 B 47.104 1 ATOM 1237 C CG2 . THR 82 1262 ? B 19.106 -15.163 -34.409 1.000 2 B 47.104 1 ATOM 1238 N N . LEU 83 1263 ? B 14.953 -13.769 -35.203 1.000 2 B 50.922 1 ATOM 1239 C CA . LEU 83 1263 ? B 14.917 -12.955 -36.413 1.000 2 B 50.922 1 ATOM 1240 C C . LEU 83 1263 ? B 14.281 -11.597 -36.136 1.000 2 B 50.922 1 ATOM 1241 O O . LEU 83 1263 ? B 13.183 -11.523 -35.580 1.000 2 B 50.922 1 ATOM 1242 C CB . LEU 83 1263 ? B 14.147 -13.676 -37.522 1.000 2 B 50.922 1 ATOM 1243 C CG . LEU 83 1263 ? B 14.825 -14.905 -38.130 1.000 2 B 50.922 1 ATOM 1244 C CD1 . LEU 83 1263 ? B 13.843 -15.670 -39.011 1.000 2 B 50.922 1 ATOM 1245 C CD2 . LEU 83 1263 ? B 16.059 -14.496 -38.926 1.000 2 B 50.922 1 ATOM 1246 N N . SER 84 1264 ? B 15.020 -10.462 -36.089 1.000 2 B 56.407 1 ATOM 1247 C CA . SER 84 1264 ? B 14.913 -9.513 -37.192 1.000 2 B 56.407 1 ATOM 1248 C C . SER 84 1264 ? B 15.562 -8.179 -36.838 1.000 2 B 56.407 1 ATOM 1249 O O . SER 84 1264 ? B 15.203 -7.554 -35.837 1.000 2 B 56.407 1 ATOM 1250 C CB . SER 84 1264 ? B 13.447 -9.292 -37.568 1.000 2 B 56.407 1 ATOM 1251 O OG . SER 84 1264 ? B 12.985 -10.326 -38.421 1.000 2 B 56.407 1 ATOM 1252 N N . PRO 85 1265 ? B 16.693 -7.784 -37.457 1.000 2 B 49.993 1 ATOM 1253 C CA . PRO 85 1265 ? B 17.323 -6.482 -37.688 1.000 2 B 49.993 1 ATOM 1254 C C . PRO 85 1265 ? B 16.541 -5.615 -38.672 1.000 2 B 49.993 1 ATOM 1255 O O . PRO 85 1265 ? B 15.957 -6.132 -39.628 1.000 2 B 49.993 1 ATOM 1256 C CB . PRO 85 1265 ? B 18.696 -6.850 -38.255 1.000 2 B 49.993 1 ATOM 1257 C CG . PRO 85 1265 ? B 18.485 -8.158 -38.948 1.000 2 B 49.993 1 ATOM 1258 C CD . PRO 85 1265 ? B 17.140 -8.695 -38.553 1.000 2 B 49.993 1 ATOM 1259 N N . GLN 86 1266 ? B 15.790 -4.646 -38.218 1.000 2 B 56.222 1 ATOM 1260 C CA . GLN 86 1266 ? B 15.191 -3.627 -39.074 1.000 2 B 56.222 1 ATOM 1261 C C . GLN 86 1266 ? B 16.057 -2.371 -39.122 1.000 2 B 56.222 1 ATOM 1262 O O . GLN 86 1266 ? B 16.518 -1.889 -38.085 1.000 2 B 56.222 1 ATOM 1263 C CB . GLN 86 1266 ? B 13.784 -3.277 -38.589 1.000 2 B 56.222 1 ATOM 1264 C CG . GLN 86 1266 ? B 12.984 -2.437 -39.576 1.000 2 B 56.222 1 ATOM 1265 C CD . GLN 86 1266 ? B 11.500 -2.749 -39.544 1.000 2 B 56.222 1 ATOM 1266 O OE1 . GLN 86 1266 ? B 10.810 -2.449 -38.564 1.000 2 B 56.222 1 ATOM 1267 N NE2 . GLN 86 1266 ? B 10.997 -3.354 -40.615 1.000 2 B 56.222 1 ATOM 1268 N N . VAL 87 1267 ? B 16.964 -2.215 -40.106 1.000 2 B 46.699 1 ATOM 1269 C CA . VAL 87 1267 ? B 17.372 -1.166 -41.035 1.000 2 B 46.699 1 ATOM 1270 C C . VAL 87 1267 ? B 17.554 0.150 -40.282 1.000 2 B 46.699 1 ATOM 1271 O O . VAL 87 1267 ? B 16.722 0.515 -39.447 1.000 2 B 46.699 1 ATOM 1272 C CB . VAL 87 1267 ? B 16.346 -0.989 -42.177 1.000 2 B 46.699 1 ATOM 1273 C CG1 . VAL 87 1267 ? B 16.687 0.236 -43.024 1.000 2 B 46.699 1 ATOM 1274 C CG2 . VAL 87 1267 ? B 16.292 -2.244 -43.045 1.000 2 B 46.699 1 loop_ _atom_type.symbol C N O S loop_ _ma_entry_associated_files.id _ma_entry_associated_files.entry_id _ma_entry_associated_files.file_url _ma_entry_associated_files.file_type _ma_entry_associated_files.file_format _ma_entry_associated_files.file_content _ma_entry_associated_files.details 1 ma-t3vr3-799 https://modelarchive.org/api/projects/ma-t3vr3-799?type=materials_procedures__accompanying_data_file_name archive zip 'archive with multiple files' . loop_ _ma_associated_archive_file_details.id _ma_associated_archive_file_details.archive_file_id _ma_associated_archive_file_details.file_path _ma_associated_archive_file_details.file_format _ma_associated_archive_file_details.file_content _ma_associated_archive_file_details.description _ma_associated_archive_file_details.data_id 1 1 ma-t3vr3-799_predicted_aligned_error_v1.cif cif 'local pairwise QA scores' 'Predicted aligned error and contact probability' . 2 1 Q14839-D2_Q92610-D12.i95.fas fasta 'multiple sequence alignments' 'Paired MSAs' 4 loop_ _ma_qa_metric.id _ma_qa_metric.name _ma_qa_metric.description _ma_qa_metric.type _ma_qa_metric.mode _ma_qa_metric.type_other_details _ma_qa_metric.software_group_id 1 pLDDT 'Predicted accuracy according to the CA-only lDDT in [0,100]' pLDDT global . . 2 pLDDT 'Predicted accuracy according to the CA-only lDDT in [0,100]' pLDDT local . . 3 PAE 'Predicted aligned error (in Angstroms)' PAE local-pairwise . . 4 'contact probability' 'Contact probability of a pairwise interaction in [0,1]' 'contact probability' local-pairwise . . loop_ _ma_qa_metric_global.ordinal_id _ma_qa_metric_global.model_id _ma_qa_metric_global.metric_id _ma_qa_metric_global.metric_value 1 1 1 69.574 loop_ _ma_qa_metric_local.ordinal_id _ma_qa_metric_local.model_id _ma_qa_metric_local.label_asym_id _ma_qa_metric_local.label_seq_id _ma_qa_metric_local.label_comp_id _ma_qa_metric_local.metric_id _ma_qa_metric_local.metric_value 1 1 A 1 LYS 2 70.684 2 1 A 2 GLU 2 81.248 3 1 A 3 PRO 2 86.951 4 1 A 4 LYS 2 93.021 5 1 A 5 SER 2 94.493 6 1 A 6 SER 2 94.888 7 1 A 7 ALA 2 95.131 8 1 A 8 GLN 2 96.724 9 1 A 9 LEU 2 96.054 10 1 A 10 LEU 2 96.575 11 1 A 11 GLU 2 96.533 12 1 A 12 ASP 2 96.853 13 1 A 13 TRP 2 96.176 14 1 A 14 GLY 2 96.243 15 1 A 15 MET 2 96.581 16 1 A 16 GLU 2 97.017 17 1 A 17 ASP 2 96.499 18 1 A 18 ILE 2 95.229 19 1 A 19 ASP 2 93.273 20 1 A 20 HIS 2 94.204 21 1 A 21 VAL 2 92.811 22 1 A 22 PHE 2 93.317 23 1 A 23 SER 2 94.932 24 1 A 24 GLU 2 93.343 25 1 A 25 GLU 2 94.670 26 1 A 26 ASP 2 95.221 27 1 A 27 TYR 2 94.209 28 1 A 28 ARG 2 92.829 29 1 A 29 THR 2 94.156 30 1 A 30 LEU 2 94.599 31 1 A 31 THR 2 91.889 32 1 A 32 ASN 2 92.370 33 1 A 33 TYR 2 93.663 34 1 A 34 LYS 2 94.841 35 1 A 35 ALA 2 94.666 36 1 A 36 PHE 2 96.041 37 1 A 37 SER 2 95.426 38 1 A 38 GLN 2 96.074 39 1 A 39 PHE 2 96.416 40 1 A 40 VAL 2 96.544 41 1 A 41 ARG 2 95.631 42 1 A 42 PRO 2 96.854 43 1 A 43 LEU 2 97.246 44 1 A 44 ILE 2 96.625 45 1 A 45 ALA 2 96.262 46 1 A 46 ALA 2 96.803 47 1 A 47 LYS 2 97.271 48 1 A 48 ASN 2 96.642 49 1 A 49 PRO 2 95.891 50 1 A 50 LYS 2 95.672 51 1 A 51 ILE 2 95.598 52 1 A 52 ALA 2 95.851 53 1 A 53 VAL 2 91.853 54 1 A 54 SER 2 94.586 55 1 A 55 LYS 2 95.952 56 1 A 56 MET 2 96.007 57 1 A 57 MET 2 94.807 58 1 A 58 MET 2 95.362 59 1 A 59 VAL 2 96.075 60 1 A 60 LEU 2 96.375 61 1 A 61 GLY 2 95.226 62 1 A 62 ALA 2 95.176 63 1 A 63 LYS 2 95.312 64 1 A 64 TRP 2 94.766 65 1 A 65 ARG 2 93.319 66 1 A 66 GLU 2 92.395 67 1 A 67 PHE 2 93.735 68 1 A 68 SER 2 91.242 69 1 A 69 THR 2 90.058 70 1 A 70 ASN 2 89.951 71 1 A 71 ASN 2 88.006 72 1 A 72 PRO 2 85.145 73 1 A 73 PHE 2 81.405 74 1 A 74 LYS 2 69.949 75 1 A 75 GLY 2 64.006 76 1 A 76 SER 2 57.648 77 1 A 77 SER 2 54.125 78 1 A 78 GLY 2 42.692 79 1 B 1 GLN 2 58.581 80 1 B 2 GLU 2 61.912 81 1 B 3 GLU 2 59.577 82 1 B 4 GLU 2 64.323 83 1 B 5 GLU 2 70.048 84 1 B 6 GLU 2 67.090 85 1 B 7 GLU 2 64.627 86 1 B 8 GLU 2 68.807 87 1 B 9 ALA 2 71.168 88 1 B 10 ALA 2 65.560 89 1 B 11 ALA 2 64.628 90 1 B 12 ALA 2 70.499 91 1 B 13 GLU 2 65.862 92 1 B 14 MET 2 58.951 93 1 B 15 ALA 2 63.820 94 1 B 16 VAL 2 63.231 95 1 B 17 GLU 2 56.452 96 1 B 18 VAL 2 56.697 97 1 B 19 ALA 2 57.037 98 1 B 20 GLU 2 48.052 99 1 B 21 PRO 2 48.548 100 1 B 22 GLU 2 46.980 101 1 B 23 GLU 2 46.325 102 1 B 24 GLY 2 40.634 103 1 B 25 SER 2 52.502 104 1 B 26 GLY 2 42.443 105 1 B 27 GLU 2 42.161 106 1 B 28 GLU 2 38.050 107 1 B 29 VAL 2 42.323 108 1 B 30 PRO 2 49.009 109 1 B 31 MET 2 47.751 110 1 B 32 GLU 2 39.925 111 1 B 33 THR 2 43.828 112 1 B 34 ARG 2 52.277 113 1 B 35 GLU 2 45.660 114 1 B 36 ASN 2 44.698 115 1 B 37 GLY 2 39.740 116 1 B 38 LEU 2 48.242 117 1 B 39 GLU 2 46.573 118 1 B 40 GLU 2 40.365 119 1 B 41 CYS 2 45.933 120 1 B 42 ALA 2 44.762 121 1 B 43 GLY 2 44.540 122 1 B 44 GLU 2 40.328 123 1 B 45 PRO 2 42.729 124 1 B 46 LEU 2 43.215 125 1 B 47 SER 2 42.349 126 1 B 48 ALA 2 40.784 127 1 B 49 ASP 2 36.867 128 1 B 50 PRO 2 44.006 129 1 B 51 GLU 2 37.898 130 1 B 52 ALA 2 42.917 131 1 B 53 ARG 2 42.003 132 1 B 54 ARG 2 42.682 133 1 B 55 LEU 2 49.693 134 1 B 56 LEU 2 38.065 135 1 B 57 GLY 2 30.443 136 1 B 58 PRO 2 45.413 137 1 B 59 ALA 2 37.264 138 1 B 60 PRO 2 53.654 139 1 B 61 GLU 2 44.903 140 1 B 62 ASP 2 57.252 141 1 B 63 ASP 2 45.405 142 1 B 64 GLY 2 45.741 143 1 B 65 GLY 2 39.936 144 1 B 66 HIS 2 50.104 145 1 B 67 ASN 2 45.269 146 1 B 68 ASP 2 42.180 147 1 B 69 HIS 2 47.259 148 1 B 70 SER 2 51.411 149 1 B 71 GLN 2 45.529 150 1 B 72 PRO 2 58.621 151 1 B 73 GLN 2 44.135 152 1 B 74 ALA 2 45.304 153 1 B 75 SER 2 51.740 154 1 B 76 GLN 2 54.224 155 1 B 77 ASP 2 48.704 156 1 B 78 GLN 2 52.484 157 1 B 79 ASP 2 51.709 158 1 B 80 SER 2 52.406 159 1 B 81 HIS 2 53.638 160 1 B 82 THR 2 47.104 161 1 B 83 LEU 2 50.922 162 1 B 84 SER 2 56.407 163 1 B 85 PRO 2 49.993 164 1 B 86 GLN 2 56.222 165 1 B 87 VAL 2 46.699 _database_2.database_id ModelArchive _database_2.database_code ma-t3vr3-799 _database_2.pdbx_DOI 10.5452/ma-t3vr3-799 _pdbx_database_status.entry_id ma-t3vr3-799 _pdbx_database_status.date_coordinates 2022-09-28:22:27 _pdbx_database_status.status_code REL loop_ _pdbx_contact_author.id _pdbx_contact_author.name_salutation _pdbx_contact_author.name_first _pdbx_contact_author.name_last _pdbx_contact_author.name_mi _pdbx_contact_author.email _pdbx_contact_author.address_1 _pdbx_contact_author.address_2 _pdbx_contact_author.address_3 5 Prof. Qian Cong . Qian.Cong@UTSouthwestern.edu 'University of Texas Southwestern Medical Center' . . loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 2022-12-21 2 'Structure model' 1 1 2023-07-19 3 'Structure model' 1 2 2023-07-25 loop_ _pdbx_audit_revision_details.ordinal _pdbx_audit_revision_details.revision_ordinal _pdbx_audit_revision_details.data_content_type _pdbx_audit_revision_details.provider _pdbx_audit_revision_details.type _pdbx_audit_revision_details.description 1 1 'Structure model' repository 'Initial release' ? 2 3 'Structure model' repository Remediation 'Format compliance remediation' loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' Other 2 3 'Structure model' Other 3 3 'Structure model' 'Version format compliance' loop_ _pdbx_audit_revision_category.ordinal _pdbx_audit_revision_category.revision_ordinal _pdbx_audit_revision_category.data_content_type _pdbx_audit_revision_category.category 1 2 'Structure model' exptl 2 3 'Structure model' ma_data 3 3 'Structure model' ma_associated_archive_file_details 4 3 'Structure model' audit_conform loop_ _pdbx_audit_revision_item.ordinal _pdbx_audit_revision_item.revision_ordinal _pdbx_audit_revision_item.data_content_type _pdbx_audit_revision_item.item 1 2 'Structure model' '_exptl.entry_id' 2 2 'Structure model' '_exptl.method' 3 3 'Structure model' '_ma_data.content_type' 4 3 'Structure model' '_ma_data.content_type_other_details' 5 3 'Structure model' '_ma_associated_archive_file_details.data_id' 6 3 'Structure model' '_audit_conform.dict_location' 7 3 'Structure model' '_audit_conform.dict_version'