data_ma-t3vr3-579 _entry.id ma-t3vr3-579 _entry.ma_collection_id ma-t3vr3 _struct.entry_id ma-t3vr3-579 _struct.pdbx_model_details ;Predicted interaction between Protein AF-9 (residue 501 - 568) and BCL-6 corepressor (residue 1121 - 1320). 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 MLLT3 (501-568) and BCOR (1121-1320)' _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) MLLT3 (P42568; 501 - 568)' 9239.251 1 . 2 polymer nat 'Homo sapiens (Human) BCOR (Q6W2J9; 1121 - 1320)' 25822.076 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 . AF9_HUMAN P42568 . 501 568 9606 'Homo sapiens (Human)' 2008-11-25 0A020B7FB34132F9 2 UNP . BCOR_HUMAN Q6W2J9 . 1121 1320 9606 'Homo sapiens (Human)' 2004-07-05 A80CFCD5618EE717 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 KAYLDELVELHRRLMTLRERHILQQIVNLIEETGHFHITNTTFDFDLCSLDKTTVRKLQSYLETSGTS KAYLDELVELHRRLMTLRERHILQQIVNLIEETGHFHITNTTFDFDLCSLDKTTVRKLQSYLETSGTS 2 polypeptide(L) no no B ;ASDMPHSPTLRVDRKRKVSGDSSHTETTAEEVPEDPLLKAKRRRVSKDDWPEREMTNSSSNHLEDPHYSE LTNLKVCIELTGLHPKKQRHLLHLRERWEQQVSAADGKPGRQSRKEVTQATQPEAIPQGTNITEEKPGRK RAEAKGNRSWSEESLKPSDNEQGLPVFSGSPPMKSLSSTSAGGKKQAQPSCAPASRPPAK ; ;ASDMPHSPTLRVDRKRKVSGDSSHTETTAEEVPEDPLLKAKRRRVSKDDWPEREMTNSSSNHLEDPHYSE LTNLKVCIELTGLHPKKQRHLLHLRERWEQQVSAADGKPGRQSRKEVTQATQPEAIPQGTNITEEKPGRK RAEAKGNRSWSEESLKPSDNEQGLPVFSGSPPMKSLSSTSAGGKKQAQPSCAPASRPPAK ; loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 LYS . 1 2 ALA . 1 3 TYR . 1 4 LEU . 1 5 ASP . 1 6 GLU . 1 7 LEU . 1 8 VAL . 1 9 GLU . 1 10 LEU . 1 11 HIS . 1 12 ARG . 1 13 ARG . 1 14 LEU . 1 15 MET . 1 16 THR . 1 17 LEU . 1 18 ARG . 1 19 GLU . 1 20 ARG . 1 21 HIS . 1 22 ILE . 1 23 LEU . 1 24 GLN . 1 25 GLN . 1 26 ILE . 1 27 VAL . 1 28 ASN . 1 29 LEU . 1 30 ILE . 1 31 GLU . 1 32 GLU . 1 33 THR . 1 34 GLY . 1 35 HIS . 1 36 PHE . 1 37 HIS . 1 38 ILE . 1 39 THR . 1 40 ASN . 1 41 THR . 1 42 THR . 1 43 PHE . 1 44 ASP . 1 45 PHE . 1 46 ASP . 1 47 LEU . 1 48 CYS . 1 49 SER . 1 50 LEU . 1 51 ASP . 1 52 LYS . 1 53 THR . 1 54 THR . 1 55 VAL . 1 56 ARG . 1 57 LYS . 1 58 LEU . 1 59 GLN . 1 60 SER . 1 61 TYR . 1 62 LEU . 1 63 GLU . 1 64 THR . 1 65 SER . 1 66 GLY . 1 67 THR . 1 68 SER . 2 1 ALA . 2 2 SER . 2 3 ASP . 2 4 MET . 2 5 PRO . 2 6 HIS . 2 7 SER . 2 8 PRO . 2 9 THR . 2 10 LEU . 2 11 ARG . 2 12 VAL . 2 13 ASP . 2 14 ARG . 2 15 LYS . 2 16 ARG . 2 17 LYS . 2 18 VAL . 2 19 SER . 2 20 GLY . 2 21 ASP . 2 22 SER . 2 23 SER . 2 24 HIS . 2 25 THR . 2 26 GLU . 2 27 THR . 2 28 THR . 2 29 ALA . 2 30 GLU . 2 31 GLU . 2 32 VAL . 2 33 PRO . 2 34 GLU . 2 35 ASP . 2 36 PRO . 2 37 LEU . 2 38 LEU . 2 39 LYS . 2 40 ALA . 2 41 LYS . 2 42 ARG . 2 43 ARG . 2 44 ARG . 2 45 VAL . 2 46 SER . 2 47 LYS . 2 48 ASP . 2 49 ASP . 2 50 TRP . 2 51 PRO . 2 52 GLU . 2 53 ARG . 2 54 GLU . 2 55 MET . 2 56 THR . 2 57 ASN . 2 58 SER . 2 59 SER . 2 60 SER . 2 61 ASN . 2 62 HIS . 2 63 LEU . 2 64 GLU . 2 65 ASP . 2 66 PRO . 2 67 HIS . 2 68 TYR . 2 69 SER . 2 70 GLU . 2 71 LEU . 2 72 THR . 2 73 ASN . 2 74 LEU . 2 75 LYS . 2 76 VAL . 2 77 CYS . 2 78 ILE . 2 79 GLU . 2 80 LEU . 2 81 THR . 2 82 GLY . 2 83 LEU . 2 84 HIS . 2 85 PRO . 2 86 LYS . 2 87 LYS . 2 88 GLN . 2 89 ARG . 2 90 HIS . 2 91 LEU . 2 92 LEU . 2 93 HIS . 2 94 LEU . 2 95 ARG . 2 96 GLU . 2 97 ARG . 2 98 TRP . 2 99 GLU . 2 100 GLN . 2 101 GLN . 2 102 VAL . 2 103 SER . 2 104 ALA . 2 105 ALA . 2 106 ASP . 2 107 GLY . 2 108 LYS . 2 109 PRO . 2 110 GLY . 2 111 ARG . 2 112 GLN . 2 113 SER . 2 114 ARG . 2 115 LYS . 2 116 GLU . 2 117 VAL . 2 118 THR . 2 119 GLN . 2 120 ALA . 2 121 THR . 2 122 GLN . 2 123 PRO . 2 124 GLU . 2 125 ALA . 2 126 ILE . 2 127 PRO . 2 128 GLN . 2 129 GLY . 2 130 THR . 2 131 ASN . 2 132 ILE . 2 133 THR . 2 134 GLU . 2 135 GLU . 2 136 LYS . 2 137 PRO . 2 138 GLY . 2 139 ARG . 2 140 LYS . 2 141 ARG . 2 142 ALA . 2 143 GLU . 2 144 ALA . 2 145 LYS . 2 146 GLY . 2 147 ASN . 2 148 ARG . 2 149 SER . 2 150 TRP . 2 151 SER . 2 152 GLU . 2 153 GLU . 2 154 SER . 2 155 LEU . 2 156 LYS . 2 157 PRO . 2 158 SER . 2 159 ASP . 2 160 ASN . 2 161 GLU . 2 162 GLN . 2 163 GLY . 2 164 LEU . 2 165 PRO . 2 166 VAL . 2 167 PHE . 2 168 SER . 2 169 GLY . 2 170 SER . 2 171 PRO . 2 172 PRO . 2 173 MET . 2 174 LYS . 2 175 SER . 2 176 LEU . 2 177 SER . 2 178 SER . 2 179 THR . 2 180 SER . 2 181 ALA . 2 182 GLY . 2 183 GLY . 2 184 LYS . 2 185 LYS . 2 186 GLN . 2 187 ALA . 2 188 GLN . 2 189 PRO . 2 190 SER . 2 191 CYS . 2 192 ALA . 2 193 PRO . 2 194 ALA . 2 195 SER . 2 196 ARG . 2 197 PRO . 2 198 PRO . 2 199 ALA . 2 200 LYS . 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 501 501 LYS LYS A . A 1 2 ALA 502 502 ALA ALA A . A 1 3 TYR 503 503 TYR TYR A . A 1 4 LEU 504 504 LEU LEU A . A 1 5 ASP 505 505 ASP ASP A . A 1 6 GLU 506 506 GLU GLU A . A 1 7 LEU 507 507 LEU LEU A . A 1 8 VAL 508 508 VAL VAL A . A 1 9 GLU 509 509 GLU GLU A . A 1 10 LEU 510 510 LEU LEU A . A 1 11 HIS 511 511 HIS HIS A . A 1 12 ARG 512 512 ARG ARG A . A 1 13 ARG 513 513 ARG ARG A . A 1 14 LEU 514 514 LEU LEU A . A 1 15 MET 515 515 MET MET A . A 1 16 THR 516 516 THR THR A . A 1 17 LEU 517 517 LEU LEU A . A 1 18 ARG 518 518 ARG ARG A . A 1 19 GLU 519 519 GLU GLU A . A 1 20 ARG 520 520 ARG ARG A . A 1 21 HIS 521 521 HIS HIS A . A 1 22 ILE 522 522 ILE ILE A . A 1 23 LEU 523 523 LEU LEU A . A 1 24 GLN 524 524 GLN GLN A . A 1 25 GLN 525 525 GLN GLN A . A 1 26 ILE 526 526 ILE ILE A . A 1 27 VAL 527 527 VAL VAL A . A 1 28 ASN 528 528 ASN ASN A . A 1 29 LEU 529 529 LEU LEU A . A 1 30 ILE 530 530 ILE ILE A . A 1 31 GLU 531 531 GLU GLU A . A 1 32 GLU 532 532 GLU GLU A . A 1 33 THR 533 533 THR THR A . A 1 34 GLY 534 534 GLY GLY A . A 1 35 HIS 535 535 HIS HIS A . A 1 36 PHE 536 536 PHE PHE A . A 1 37 HIS 537 537 HIS HIS A . A 1 38 ILE 538 538 ILE ILE A . A 1 39 THR 539 539 THR THR A . A 1 40 ASN 540 540 ASN ASN A . A 1 41 THR 541 541 THR THR A . A 1 42 THR 542 542 THR THR A . A 1 43 PHE 543 543 PHE PHE A . A 1 44 ASP 544 544 ASP ASP A . A 1 45 PHE 545 545 PHE PHE A . A 1 46 ASP 546 546 ASP ASP A . A 1 47 LEU 547 547 LEU LEU A . A 1 48 CYS 548 548 CYS CYS A . A 1 49 SER 549 549 SER SER A . A 1 50 LEU 550 550 LEU LEU A . A 1 51 ASP 551 551 ASP ASP A . A 1 52 LYS 552 552 LYS LYS A . A 1 53 THR 553 553 THR THR A . A 1 54 THR 554 554 THR THR A . A 1 55 VAL 555 555 VAL VAL A . A 1 56 ARG 556 556 ARG ARG A . A 1 57 LYS 557 557 LYS LYS A . A 1 58 LEU 558 558 LEU LEU A . A 1 59 GLN 559 559 GLN GLN A . A 1 60 SER 560 560 SER SER A . A 1 61 TYR 561 561 TYR TYR A . A 1 62 LEU 562 562 LEU LEU A . A 1 63 GLU 563 563 GLU GLU A . A 1 64 THR 564 564 THR THR A . A 1 65 SER 565 565 SER SER A . A 1 66 GLY 566 566 GLY GLY A . A 1 67 THR 567 567 THR THR A . A 1 68 SER 568 568 SER SER A . B 2 1 ALA 1121 1121 ALA ALA B . B 2 2 SER 1122 1122 SER SER B . B 2 3 ASP 1123 1123 ASP ASP B . B 2 4 MET 1124 1124 MET MET B . B 2 5 PRO 1125 1125 PRO PRO B . B 2 6 HIS 1126 1126 HIS HIS B . B 2 7 SER 1127 1127 SER SER B . B 2 8 PRO 1128 1128 PRO PRO B . B 2 9 THR 1129 1129 THR THR B . B 2 10 LEU 1130 1130 LEU LEU B . B 2 11 ARG 1131 1131 ARG ARG B . B 2 12 VAL 1132 1132 VAL VAL B . B 2 13 ASP 1133 1133 ASP ASP B . B 2 14 ARG 1134 1134 ARG ARG B . B 2 15 LYS 1135 1135 LYS LYS B . B 2 16 ARG 1136 1136 ARG ARG B . B 2 17 LYS 1137 1137 LYS LYS B . B 2 18 VAL 1138 1138 VAL VAL B . B 2 19 SER 1139 1139 SER SER B . B 2 20 GLY 1140 1140 GLY GLY B . B 2 21 ASP 1141 1141 ASP ASP B . B 2 22 SER 1142 1142 SER SER B . B 2 23 SER 1143 1143 SER SER B . B 2 24 HIS 1144 1144 HIS HIS B . B 2 25 THR 1145 1145 THR THR B . B 2 26 GLU 1146 1146 GLU GLU B . B 2 27 THR 1147 1147 THR THR B . B 2 28 THR 1148 1148 THR THR B . B 2 29 ALA 1149 1149 ALA ALA B . B 2 30 GLU 1150 1150 GLU GLU B . B 2 31 GLU 1151 1151 GLU GLU B . B 2 32 VAL 1152 1152 VAL VAL B . B 2 33 PRO 1153 1153 PRO PRO B . B 2 34 GLU 1154 1154 GLU GLU B . B 2 35 ASP 1155 1155 ASP ASP B . B 2 36 PRO 1156 1156 PRO PRO B . B 2 37 LEU 1157 1157 LEU LEU B . B 2 38 LEU 1158 1158 LEU LEU B . B 2 39 LYS 1159 1159 LYS LYS B . B 2 40 ALA 1160 1160 ALA ALA B . B 2 41 LYS 1161 1161 LYS LYS B . B 2 42 ARG 1162 1162 ARG ARG B . B 2 43 ARG 1163 1163 ARG ARG B . B 2 44 ARG 1164 1164 ARG ARG B . B 2 45 VAL 1165 1165 VAL VAL B . B 2 46 SER 1166 1166 SER SER B . B 2 47 LYS 1167 1167 LYS LYS B . B 2 48 ASP 1168 1168 ASP ASP B . B 2 49 ASP 1169 1169 ASP ASP B . B 2 50 TRP 1170 1170 TRP TRP B . B 2 51 PRO 1171 1171 PRO PRO B . B 2 52 GLU 1172 1172 GLU GLU B . B 2 53 ARG 1173 1173 ARG ARG B . B 2 54 GLU 1174 1174 GLU GLU B . B 2 55 MET 1175 1175 MET MET B . B 2 56 THR 1176 1176 THR THR B . B 2 57 ASN 1177 1177 ASN ASN B . B 2 58 SER 1178 1178 SER SER B . B 2 59 SER 1179 1179 SER SER B . B 2 60 SER 1180 1180 SER SER B . B 2 61 ASN 1181 1181 ASN ASN B . B 2 62 HIS 1182 1182 HIS HIS B . B 2 63 LEU 1183 1183 LEU LEU B . B 2 64 GLU 1184 1184 GLU GLU B . B 2 65 ASP 1185 1185 ASP ASP B . B 2 66 PRO 1186 1186 PRO PRO B . B 2 67 HIS 1187 1187 HIS HIS B . B 2 68 TYR 1188 1188 TYR TYR B . B 2 69 SER 1189 1189 SER SER B . B 2 70 GLU 1190 1190 GLU GLU B . B 2 71 LEU 1191 1191 LEU LEU B . B 2 72 THR 1192 1192 THR THR B . B 2 73 ASN 1193 1193 ASN ASN B . B 2 74 LEU 1194 1194 LEU LEU B . B 2 75 LYS 1195 1195 LYS LYS B . B 2 76 VAL 1196 1196 VAL VAL B . B 2 77 CYS 1197 1197 CYS CYS B . B 2 78 ILE 1198 1198 ILE ILE B . B 2 79 GLU 1199 1199 GLU GLU B . B 2 80 LEU 1200 1200 LEU LEU B . B 2 81 THR 1201 1201 THR THR B . B 2 82 GLY 1202 1202 GLY GLY B . B 2 83 LEU 1203 1203 LEU LEU B . B 2 84 HIS 1204 1204 HIS HIS B . B 2 85 PRO 1205 1205 PRO PRO B . B 2 86 LYS 1206 1206 LYS LYS B . B 2 87 LYS 1207 1207 LYS LYS B . B 2 88 GLN 1208 1208 GLN GLN B . B 2 89 ARG 1209 1209 ARG ARG B . B 2 90 HIS 1210 1210 HIS HIS B . B 2 91 LEU 1211 1211 LEU LEU B . B 2 92 LEU 1212 1212 LEU LEU B . B 2 93 HIS 1213 1213 HIS HIS B . B 2 94 LEU 1214 1214 LEU LEU B . B 2 95 ARG 1215 1215 ARG ARG B . B 2 96 GLU 1216 1216 GLU GLU B . B 2 97 ARG 1217 1217 ARG ARG B . B 2 98 TRP 1218 1218 TRP TRP B . B 2 99 GLU 1219 1219 GLU GLU B . B 2 100 GLN 1220 1220 GLN GLN B . B 2 101 GLN 1221 1221 GLN GLN B . B 2 102 VAL 1222 1222 VAL VAL B . B 2 103 SER 1223 1223 SER SER B . B 2 104 ALA 1224 1224 ALA ALA B . B 2 105 ALA 1225 1225 ALA ALA B . B 2 106 ASP 1226 1226 ASP ASP B . B 2 107 GLY 1227 1227 GLY GLY B . B 2 108 LYS 1228 1228 LYS LYS B . B 2 109 PRO 1229 1229 PRO PRO B . B 2 110 GLY 1230 1230 GLY GLY B . B 2 111 ARG 1231 1231 ARG ARG B . B 2 112 GLN 1232 1232 GLN GLN B . B 2 113 SER 1233 1233 SER SER B . B 2 114 ARG 1234 1234 ARG ARG B . B 2 115 LYS 1235 1235 LYS LYS B . B 2 116 GLU 1236 1236 GLU GLU B . B 2 117 VAL 1237 1237 VAL VAL B . B 2 118 THR 1238 1238 THR THR B . B 2 119 GLN 1239 1239 GLN GLN B . B 2 120 ALA 1240 1240 ALA ALA B . B 2 121 THR 1241 1241 THR THR B . B 2 122 GLN 1242 1242 GLN GLN B . B 2 123 PRO 1243 1243 PRO PRO B . B 2 124 GLU 1244 1244 GLU GLU B . B 2 125 ALA 1245 1245 ALA ALA B . B 2 126 ILE 1246 1246 ILE ILE B . B 2 127 PRO 1247 1247 PRO PRO B . B 2 128 GLN 1248 1248 GLN GLN B . B 2 129 GLY 1249 1249 GLY GLY B . B 2 130 THR 1250 1250 THR THR B . B 2 131 ASN 1251 1251 ASN ASN B . B 2 132 ILE 1252 1252 ILE ILE B . B 2 133 THR 1253 1253 THR THR B . B 2 134 GLU 1254 1254 GLU GLU B . B 2 135 GLU 1255 1255 GLU GLU B . B 2 136 LYS 1256 1256 LYS LYS B . B 2 137 PRO 1257 1257 PRO PRO B . B 2 138 GLY 1258 1258 GLY GLY B . B 2 139 ARG 1259 1259 ARG ARG B . B 2 140 LYS 1260 1260 LYS LYS B . B 2 141 ARG 1261 1261 ARG ARG B . B 2 142 ALA 1262 1262 ALA ALA B . B 2 143 GLU 1263 1263 GLU GLU B . B 2 144 ALA 1264 1264 ALA ALA B . B 2 145 LYS 1265 1265 LYS LYS B . B 2 146 GLY 1266 1266 GLY GLY B . B 2 147 ASN 1267 1267 ASN ASN B . B 2 148 ARG 1268 1268 ARG ARG B . B 2 149 SER 1269 1269 SER SER B . B 2 150 TRP 1270 1270 TRP TRP B . B 2 151 SER 1271 1271 SER SER B . B 2 152 GLU 1272 1272 GLU GLU B . B 2 153 GLU 1273 1273 GLU GLU B . B 2 154 SER 1274 1274 SER SER B . B 2 155 LEU 1275 1275 LEU LEU B . B 2 156 LYS 1276 1276 LYS LYS B . B 2 157 PRO 1277 1277 PRO PRO B . B 2 158 SER 1278 1278 SER SER B . B 2 159 ASP 1279 1279 ASP ASP B . B 2 160 ASN 1280 1280 ASN ASN B . B 2 161 GLU 1281 1281 GLU GLU B . B 2 162 GLN 1282 1282 GLN GLN B . B 2 163 GLY 1283 1283 GLY GLY B . B 2 164 LEU 1284 1284 LEU LEU B . B 2 165 PRO 1285 1285 PRO PRO B . B 2 166 VAL 1286 1286 VAL VAL B . B 2 167 PHE 1287 1287 PHE PHE B . B 2 168 SER 1288 1288 SER SER B . B 2 169 GLY 1289 1289 GLY GLY B . B 2 170 SER 1290 1290 SER SER B . B 2 171 PRO 1291 1291 PRO PRO B . B 2 172 PRO 1292 1292 PRO PRO B . B 2 173 MET 1293 1293 MET MET B . B 2 174 LYS 1294 1294 LYS LYS B . B 2 175 SER 1295 1295 SER SER B . B 2 176 LEU 1296 1296 LEU LEU B . B 2 177 SER 1297 1297 SER SER B . B 2 178 SER 1298 1298 SER SER B . B 2 179 THR 1299 1299 THR THR B . B 2 180 SER 1300 1300 SER SER B . B 2 181 ALA 1301 1301 ALA ALA B . B 2 182 GLY 1302 1302 GLY GLY B . B 2 183 GLY 1303 1303 GLY GLY B . B 2 184 LYS 1304 1304 LYS LYS B . B 2 185 LYS 1305 1305 LYS LYS B . B 2 186 GLN 1306 1306 GLN GLN B . B 2 187 ALA 1307 1307 ALA ALA B . B 2 188 GLN 1308 1308 GLN GLN B . B 2 189 PRO 1309 1309 PRO PRO B . B 2 190 SER 1310 1310 SER SER B . B 2 191 CYS 1311 1311 CYS CYS B . B 2 192 ALA 1312 1312 ALA ALA B . B 2 193 PRO 1313 1313 PRO PRO B . B 2 194 ALA 1314 1314 ALA ALA B . B 2 195 SER 1315 1315 SER SER B . B 2 196 ARG 1316 1316 ARG ARG B . B 2 197 PRO 1317 1317 PRO PRO B . B 2 198 PRO 1318 1318 PRO PRO B . B 2 199 ALA 1319 1319 ALA ALA B . B 2 200 LYS 1320 1320 LYS LYS B . loop_ _ma_data.id _ma_data.name _ma_data.content_type 1 'Homo sapiens (Human) MLLT3 (P42568; 501 - 568)' target 2 'Homo sapiens (Human) BCOR (Q6W2J9; 1121 - 1320)' 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 1 501 ? A 18.838 -10.908 -0.931 1.000 1 A 73.983 1 ATOM 2 C CA . LYS 1 501 ? A 19.339 -9.603 -1.355 1.000 1 A 73.983 1 ATOM 3 C C . LYS 1 501 ? A 18.451 -9.000 -2.440 1.000 1 A 73.983 1 ATOM 4 O O . LYS 1 501 ? A 18.238 -7.787 -2.472 1.000 1 A 73.983 1 ATOM 5 C CB . LYS 1 501 ? A 20.778 -9.718 -1.859 1.000 1 A 73.983 1 ATOM 6 C CG . LYS 1 501 ? A 21.459 -8.379 -2.097 1.000 1 A 73.983 1 ATOM 7 C CD . LYS 1 501 ? A 22.966 -8.538 -2.254 1.000 1 A 73.983 1 ATOM 8 C CE . LYS 1 501 ? A 23.658 -7.192 -2.420 1.000 1 A 73.983 1 ATOM 9 N NZ . LYS 1 501 ? A 24.764 -7.257 -3.420 1.000 1 A 73.983 1 ATOM 10 N N . ALA 2 502 ? A 17.902 -9.892 -3.305 1.000 1 A 85.872 1 ATOM 11 C CA . ALA 2 502 ? A 17.050 -9.442 -4.403 1.000 1 A 85.872 1 ATOM 12 C C . ALA 2 502 ? A 15.722 -8.900 -3.880 1.000 1 A 85.872 1 ATOM 13 O O . ALA 2 502 ? A 15.175 -7.943 -4.432 1.000 1 A 85.872 1 ATOM 14 C CB . ALA 2 502 ? A 16.805 -10.581 -5.389 1.000 1 A 85.872 1 ATOM 15 N N . TYR 3 503 ? A 15.309 -9.465 -2.772 1.000 1 A 86.353 1 ATOM 16 C CA . TYR 3 503 ? A 14.039 -9.050 -2.187 1.000 1 A 86.353 1 ATOM 17 C C . TYR 3 503 ? A 14.144 -7.652 -1.590 1.000 1 A 86.353 1 ATOM 18 O O . TYR 3 503 ? A 13.248 -6.824 -1.769 1.000 1 A 86.353 1 ATOM 19 C CB . TYR 3 503 ? A 13.591 -10.044 -1.112 1.000 1 A 86.353 1 ATOM 20 C CG . TYR 3 503 ? A 12.264 -9.699 -0.481 1.000 1 A 86.353 1 ATOM 21 C CD1 . TYR 3 503 ? A 12.199 -9.179 0.810 1.000 1 A 86.353 1 ATOM 22 C CD2 . TYR 3 503 ? A 11.073 -9.891 -1.173 1.000 1 A 86.353 1 ATOM 23 C CE1 . TYR 3 503 ? A 10.979 -8.861 1.397 1.000 1 A 86.353 1 ATOM 24 C CE2 . TYR 3 503 ? A 9.847 -9.577 -0.596 1.000 1 A 86.353 1 ATOM 25 C CZ . TYR 3 503 ? A 9.810 -9.063 0.687 1.000 1 A 86.353 1 ATOM 26 O OH . TYR 3 503 ? A 8.599 -8.749 1.263 1.000 1 A 86.353 1 ATOM 27 N N . LEU 4 504 ? A 15.238 -7.450 -0.908 1.000 1 A 86.608 1 ATOM 28 C CA . LEU 4 504 ? A 15.467 -6.141 -0.307 1.000 1 A 86.608 1 ATOM 29 C C . LEU 4 504 ? A 15.521 -5.054 -1.376 1.000 1 A 86.608 1 ATOM 30 O O . LEU 4 504 ? A 14.967 -3.968 -1.192 1.000 1 A 86.608 1 ATOM 31 C CB . LEU 4 504 ? A 16.766 -6.142 0.503 1.000 1 A 86.608 1 ATOM 32 C CG . LEU 4 504 ? A 17.004 -4.930 1.405 1.000 1 A 86.608 1 ATOM 33 C CD1 . LEU 4 504 ? A 15.927 -4.853 2.483 1.000 1 A 86.608 1 ATOM 34 C CD2 . LEU 4 504 ? A 18.392 -4.995 2.033 1.000 1 A 86.608 1 ATOM 35 N N . ASP 5 505 ? A 16.124 -5.356 -2.491 1.000 1 A 88.988 1 ATOM 36 C CA . ASP 5 505 ? A 16.205 -4.427 -3.614 1.000 1 A 88.988 1 ATOM 37 C C . ASP 5 505 ? A 14.814 -4.089 -4.147 1.000 1 A 88.988 1 ATOM 38 O O . ASP 5 505 ? A 14.537 -2.936 -4.485 1.000 1 A 88.988 1 ATOM 39 C CB . ASP 5 505 ? A 17.069 -5.011 -4.733 1.000 1 A 88.988 1 ATOM 40 C CG . ASP 5 505 ? A 18.553 -4.989 -4.410 1.000 1 A 88.988 1 ATOM 41 O OD1 . ASP 5 505 ? A 18.963 -4.263 -3.479 1.000 1 A 88.988 1 ATOM 42 O OD2 . ASP 5 505 ? A 19.319 -5.701 -5.094 1.000 1 A 88.988 1 ATOM 43 N N . GLU 6 506 ? A 13.989 -5.078 -4.099 1.000 1 A 90.607 1 ATOM 44 C CA . GLU 6 506 ? A 12.615 -4.881 -4.554 1.000 1 A 90.607 1 ATOM 45 C C . GLU 6 506 ? A 11.855 -3.942 -3.622 1.000 1 A 90.607 1 ATOM 46 O O . GLU 6 506 ? A 11.120 -3.065 -4.080 1.000 1 A 90.607 1 ATOM 47 C CB . GLU 6 506 ? A 11.886 -6.223 -4.659 1.000 1 A 90.607 1 ATOM 48 C CG . GLU 6 506 ? A 12.393 -7.112 -5.784 1.000 1 A 90.607 1 ATOM 49 C CD . GLU 6 506 ? A 11.670 -8.447 -5.867 1.000 1 A 90.607 1 ATOM 50 O OE1 . GLU 6 506 ? A 11.944 -9.229 -6.806 1.000 1 A 90.607 1 ATOM 51 O OE2 . GLU 6 506 ? A 10.822 -8.713 -4.986 1.000 1 A 90.607 1 ATOM 52 N N . LEU 7 507 ? A 12.098 -4.112 -2.419 1.000 1 A 91.431 1 ATOM 53 C CA . LEU 7 507 ? A 11.425 -3.288 -1.421 1.000 1 A 91.431 1 ATOM 54 C C . LEU 7 507 ? A 11.901 -1.841 -1.500 1.000 1 A 91.431 1 ATOM 55 O O . LEU 7 507 ? A 11.094 -0.912 -1.416 1.000 1 A 91.431 1 ATOM 56 C CB . LEU 7 507 ? A 11.668 -3.841 -0.015 1.000 1 A 91.431 1 ATOM 57 C CG . LEU 7 507 ? A 10.881 -5.097 0.365 1.000 1 A 91.431 1 ATOM 58 C CD1 . LEU 7 507 ? A 11.747 -6.031 1.204 1.000 1 A 91.431 1 ATOM 59 C CD2 . LEU 7 507 ? A 9.607 -4.723 1.114 1.000 1 A 91.431 1 ATOM 60 N N . VAL 8 508 ? A 13.195 -1.740 -1.652 1.000 1 A 91.309 1 ATOM 61 C CA . VAL 8 508 ? A 13.787 -0.411 -1.761 1.000 1 A 91.309 1 ATOM 62 C C . VAL 8 508 ? A 13.213 0.313 -2.977 1.000 1 A 91.309 1 ATOM 63 O O . VAL 8 508 ? A 12.892 1.501 -2.906 1.000 1 A 91.309 1 ATOM 64 C CB . VAL 8 508 ? A 15.327 -0.482 -1.860 1.000 1 A 91.309 1 ATOM 65 C CG1 . VAL 8 508 ? A 15.910 0.889 -2.196 1.000 1 A 91.309 1 ATOM 66 C CG2 . VAL 8 508 ? A 15.921 -1.014 -0.556 1.000 1 A 91.309 1 ATOM 67 N N . GLU 9 509 ? A 13.098 -0.363 -4.082 1.000 1 A 91.318 1 ATOM 68 C CA . GLU 9 509 ? A 12.524 0.188 -5.306 1.000 1 A 91.318 1 ATOM 69 C C . GLU 9 509 ? A 11.058 0.563 -5.108 1.000 1 A 91.318 1 ATOM 70 O O . GLU 9 509 ? A 10.613 1.616 -5.569 1.000 1 A 91.318 1 ATOM 71 C CB . GLU 9 509 ? A 12.661 -0.808 -6.460 1.000 1 A 91.318 1 ATOM 72 C CG . GLU 9 509 ? A 12.158 -0.277 -7.794 1.000 1 A 91.318 1 ATOM 73 C CD . GLU 9 509 ? A 12.931 0.935 -8.288 1.000 1 A 91.318 1 ATOM 74 O OE1 . GLU 9 509 ? A 12.363 1.747 -9.053 1.000 1 A 91.318 1 ATOM 75 O OE2 . GLU 9 509 ? A 14.115 1.074 -7.907 1.000 1 A 91.318 1 ATOM 76 N N . LEU 10 510 ? A 10.344 -0.309 -4.466 1.000 1 A 92.179 1 ATOM 77 C CA . LEU 10 510 ? A 8.944 -0.036 -4.158 1.000 1 A 92.179 1 ATOM 78 C C . LEU 10 510 ? A 8.810 1.219 -3.303 1.000 1 A 92.179 1 ATOM 79 O O . LEU 10 510 ? A 7.942 2.058 -3.555 1.000 1 A 92.179 1 ATOM 80 C CB . LEU 10 510 ? A 8.311 -1.230 -3.437 1.000 1 A 92.179 1 ATOM 81 C CG . LEU 10 510 ? A 6.829 -1.100 -3.085 1.000 1 A 92.179 1 ATOM 82 C CD1 . LEU 10 510 ? A 5.990 -0.985 -4.353 1.000 1 A 92.179 1 ATOM 83 C CD2 . LEU 10 510 ? A 6.373 -2.287 -2.243 1.000 1 A 92.179 1 ATOM 84 N N . HIS 11 511 ? A 9.648 1.326 -2.319 1.000 1 A 91.726 1 ATOM 85 C CA . HIS 11 511 ? A 9.667 2.489 -1.440 1.000 1 A 91.726 1 ATOM 86 C C . HIS 11 511 ? A 9.880 3.775 -2.231 1.000 1 A 91.726 1 ATOM 87 O O . HIS 11 511 ? A 9.183 4.768 -2.010 1.000 1 A 91.726 1 ATOM 88 C CB . HIS 11 511 ? A 10.758 2.339 -0.378 1.000 1 A 91.726 1 ATOM 89 C CG . HIS 11 511 ? A 10.822 3.484 0.583 1.000 1 A 91.726 1 ATOM 90 N ND1 . HIS 11 511 ? A 11.676 4.551 0.413 1.000 1 A 91.726 1 ATOM 91 C CD2 . HIS 11 511 ? A 10.133 3.727 1.723 1.000 1 A 91.726 1 ATOM 92 C CE1 . HIS 11 511 ? A 11.510 5.404 1.410 1.000 1 A 91.726 1 ATOM 93 N NE2 . HIS 11 511 ? A 10.579 4.927 2.219 1.000 1 A 91.726 1 ATOM 94 N N . ARG 12 512 ? A 10.861 3.776 -3.067 1.000 1 A 91.144 1 ATOM 95 C CA . ARG 12 512 ? A 11.157 4.917 -3.928 1.000 1 A 91.144 1 ATOM 96 C C . ARG 12 512 ? A 9.944 5.297 -4.769 1.000 1 A 91.144 1 ATOM 97 O O . ARG 12 512 ? A 9.586 6.474 -4.856 1.000 1 A 91.144 1 ATOM 98 C CB . ARG 12 512 ? A 12.350 4.610 -4.836 1.000 1 A 91.144 1 ATOM 99 C CG . ARG 12 512 ? A 12.878 5.821 -5.589 1.000 1 A 91.144 1 ATOM 100 C CD . ARG 12 512 ? A 13.949 5.433 -6.600 1.000 1 A 91.144 1 ATOM 101 N NE . ARG 12 512 ? A 13.410 4.581 -7.656 1.000 1 A 91.144 1 ATOM 102 C CZ . ARG 12 512 ? A 14.112 4.113 -8.684 1.000 1 A 91.144 1 ATOM 103 N NH1 . ARG 12 512 ? A 15.400 4.406 -8.815 1.000 1 A 91.144 1 ATOM 104 N NH2 . ARG 12 512 ? A 13.521 3.346 -9.589 1.000 1 A 91.144 1 ATOM 105 N N . ARG 13 513 ? A 9.281 4.331 -5.359 1.000 1 A 91.223 1 ATOM 106 C CA . ARG 13 513 ? A 8.111 4.553 -6.203 1.000 1 A 91.223 1 ATOM 107 C C . ARG 13 513 ? A 6.935 5.074 -5.383 1.000 1 A 91.223 1 ATOM 108 O O . ARG 13 513 ? A 6.205 5.961 -5.830 1.000 1 A 91.223 1 ATOM 109 C CB . ARG 13 513 ? A 7.716 3.262 -6.924 1.000 1 A 91.223 1 ATOM 110 C CG . ARG 13 513 ? A 8.606 2.921 -8.109 1.000 1 A 91.223 1 ATOM 111 C CD . ARG 13 513 ? A 8.074 1.726 -8.888 1.000 1 A 91.223 1 ATOM 112 N NE . ARG 13 513 ? A 8.964 1.361 -9.987 1.000 1 A 91.223 1 ATOM 113 C CZ . ARG 13 513 ? A 8.978 0.174 -10.587 1.000 1 A 91.223 1 ATOM 114 N NH1 . ARG 13 513 ? A 8.148 -0.790 -10.205 1.000 1 A 91.223 1 ATOM 115 N NH2 . ARG 13 513 ? A 9.829 -0.052 -11.577 1.000 1 A 91.223 1 ATOM 116 N N . LEU 14 514 ? A 6.782 4.573 -4.199 1.000 1 A 91.397 1 ATOM 117 C CA . LEU 14 514 ? A 5.689 5.000 -3.332 1.000 1 A 91.397 1 ATOM 118 C C . LEU 14 514 ? A 5.909 6.427 -2.842 1.000 1 A 91.397 1 ATOM 119 O O . LEU 14 514 ? A 4.953 7.192 -2.695 1.000 1 A 91.397 1 ATOM 120 C CB . LEU 14 514 ? A 5.552 4.053 -2.137 1.000 1 A 91.397 1 ATOM 121 C CG . LEU 14 514 ? A 4.772 2.761 -2.382 1.000 1 A 91.397 1 ATOM 122 C CD1 . LEU 14 514 ? A 4.886 1.836 -1.175 1.000 1 A 91.397 1 ATOM 123 C CD2 . LEU 14 514 ? A 3.311 3.068 -2.691 1.000 1 A 91.397 1 ATOM 124 N N . MET 15 515 ? A 7.160 6.758 -2.647 1.000 1 A 89.683 1 ATOM 125 C CA . MET 15 515 ? A 7.493 8.089 -2.149 1.000 1 A 89.683 1 ATOM 126 C C . MET 15 515 ? A 7.166 9.157 -3.188 1.000 1 A 89.683 1 ATOM 127 O O . MET 15 515 ? A 6.825 10.287 -2.836 1.000 1 A 89.683 1 ATOM 128 C CB . MET 15 515 ? A 8.973 8.166 -1.769 1.000 1 A 89.683 1 ATOM 129 C CG . MET 15 515 ? A 9.306 7.473 -0.457 1.000 1 A 89.683 1 ATOM 130 S SD . MET 15 515 ? A 8.403 8.196 0.968 1.000 1 A 89.683 1 ATOM 131 C CE . MET 15 515 ? A 7.405 6.767 1.472 1.000 1 A 89.683 1 ATOM 132 N N . THR 16 516 ? A 7.200 8.755 -4.420 1.000 1 A 88.819 1 ATOM 133 C CA . THR 16 516 ? A 6.966 9.717 -5.491 1.000 1 A 88.819 1 ATOM 134 C C . THR 16 516 ? A 5.554 9.569 -6.052 1.000 1 A 88.819 1 ATOM 135 O O . THR 16 516 ? A 5.167 10.293 -6.972 1.000 1 A 88.819 1 ATOM 136 C CB . THR 16 516 ? A 7.992 9.549 -6.626 1.000 1 A 88.819 1 ATOM 137 O OG1 . THR 16 516 ? A 7.936 8.205 -7.119 1.000 1 A 88.819 1 ATOM 138 C CG2 . THR 16 516 ? A 9.407 9.840 -6.136 1.000 1 A 88.819 1 ATOM 139 N N . LEU 17 517 ? A 4.774 8.596 -5.557 1.000 1 A 87.907 1 ATOM 140 C CA . LEU 17 517 ? A 3.425 8.353 -6.054 1.000 1 A 87.907 1 ATOM 141 C C . LEU 17 517 ? A 2.489 9.494 -5.668 1.000 1 A 87.907 1 ATOM 142 O O . LEU 17 517 ? A 2.412 9.870 -4.496 1.000 1 A 87.907 1 ATOM 143 C CB . LEU 17 517 ? A 2.883 7.028 -5.511 1.000 1 A 87.907 1 ATOM 144 C CG . LEU 17 517 ? A 1.550 6.553 -6.089 1.000 1 A 87.907 1 ATOM 145 C CD1 . LEU 17 517 ? A 1.705 6.209 -7.567 1.000 1 A 87.907 1 ATOM 146 C CD2 . LEU 17 517 ? A 1.025 5.353 -5.307 1.000 1 A 87.907 1 ATOM 147 N N . ARG 18 518 ? A 1.778 10.080 -6.672 1.000 1 A 86.519 1 ATOM 148 C CA . ARG 18 518 ? A 0.882 11.210 -6.448 1.000 1 A 86.519 1 ATOM 149 C C . ARG 18 518 ? A -0.535 10.883 -6.906 1.000 1 A 86.519 1 ATOM 150 O O . ARG 18 518 ? A -1.448 11.695 -6.742 1.000 1 A 86.519 1 ATOM 151 C CB . ARG 18 518 ? A 1.394 12.454 -7.177 1.000 1 A 86.519 1 ATOM 152 C CG . ARG 18 518 ? A 2.694 13.007 -6.614 1.000 1 A 86.519 1 ATOM 153 C CD . ARG 18 518 ? A 3.078 14.324 -7.272 1.000 1 A 86.519 1 ATOM 154 N NE . ARG 18 518 ? A 4.192 14.968 -6.581 1.000 1 A 86.519 1 ATOM 155 C CZ . ARG 18 518 ? A 4.855 16.028 -7.034 1.000 1 A 86.519 1 ATOM 156 N NH1 . ARG 18 518 ? A 4.527 16.588 -8.193 1.000 1 A 86.519 1 ATOM 157 N NH2 . ARG 18 518 ? A 5.853 16.533 -6.324 1.000 1 A 86.519 1 ATOM 158 N N . GLU 19 519 ? A -0.542 9.683 -7.470 1.000 1 A 88.234 1 ATOM 159 C CA . GLU 19 519 ? A -1.849 9.281 -7.983 1.000 1 A 88.234 1 ATOM 160 C C . GLU 19 519 ? A -2.804 8.931 -6.846 1.000 1 A 88.234 1 ATOM 161 O O . GLU 19 519 ? A -2.541 8.012 -6.068 1.000 1 A 88.234 1 ATOM 162 C CB . GLU 19 519 ? A -1.709 8.092 -8.938 1.000 1 A 88.234 1 ATOM 163 C CG . GLU 19 519 ? A -0.994 8.428 -10.238 1.000 1 A 88.234 1 ATOM 164 C CD . GLU 19 519 ? A -0.855 7.236 -11.172 1.000 1 A 88.234 1 ATOM 165 O OE1 . GLU 19 519 ? A -0.119 7.337 -12.179 1.000 1 A 88.234 1 ATOM 166 O OE2 . GLU 19 519 ? A -1.488 6.193 -10.894 1.000 1 A 88.234 1 ATOM 167 N N . ARG 20 520 ? A -3.914 9.739 -6.818 1.000 1 A 86.600 1 ATOM 168 C CA . ARG 20 520 ? A -4.871 9.618 -5.723 1.000 1 A 86.600 1 ATOM 169 C C . ARG 20 520 ? A -5.534 8.245 -5.724 1.000 1 A 86.600 1 ATOM 170 O O . ARG 20 520 ? A -5.689 7.624 -4.670 1.000 1 A 86.600 1 ATOM 171 C CB . ARG 20 520 ? A -5.935 10.714 -5.817 1.000 1 A 86.600 1 ATOM 172 C CG . ARG 20 520 ? A -6.904 10.733 -4.645 1.000 1 A 86.600 1 ATOM 173 C CD . ARG 20 520 ? A -7.844 11.930 -4.710 1.000 1 A 86.600 1 ATOM 174 N NE . ARG 20 520 ? A -8.689 12.016 -3.523 1.000 1 A 86.600 1 ATOM 175 C CZ . ARG 20 520 ? A -9.904 12.557 -3.495 1.000 1 A 86.600 1 ATOM 176 N NH1 . ARG 20 520 ? A -10.442 13.073 -4.594 1.000 1 A 86.600 1 ATOM 177 N NH2 . ARG 20 520 ? A -10.587 12.583 -2.360 1.000 1 A 86.600 1 ATOM 178 N N . HIS 21 521 ? A -5.921 7.758 -6.855 1.000 1 A 87.349 1 ATOM 179 C CA . HIS 21 521 ? A -6.645 6.494 -6.927 1.000 1 A 87.349 1 ATOM 180 C C . HIS 21 521 ? A -5.740 5.320 -6.569 1.000 1 A 87.349 1 ATOM 181 O O . HIS 21 521 ? A -6.174 4.376 -5.905 1.000 1 A 87.349 1 ATOM 182 C CB . HIS 21 521 ? A -7.237 6.295 -8.323 1.000 1 A 87.349 1 ATOM 183 C CG . HIS 21 521 ? A -6.206 6.095 -9.389 1.000 1 A 87.349 1 ATOM 184 N ND1 . HIS 21 521 ? A -5.476 7.135 -9.922 1.000 1 A 87.349 1 ATOM 185 C CD2 . HIS 21 521 ? A -5.783 4.973 -10.017 1.000 1 A 87.349 1 ATOM 186 C CE1 . HIS 21 521 ? A -4.647 6.659 -10.836 1.000 1 A 87.349 1 ATOM 187 N NE2 . HIS 21 521 ? A -4.813 5.350 -10.913 1.000 1 A 87.349 1 ATOM 188 N N . ILE 22 522 ? A -4.527 5.358 -6.890 1.000 1 A 90.013 1 ATOM 189 C CA . ILE 22 522 ? A -3.564 4.313 -6.563 1.000 1 A 90.013 1 ATOM 190 C C . ILE 22 522 ? A -3.250 4.351 -5.069 1.000 1 A 90.013 1 ATOM 191 O O . ILE 22 522 ? A -3.174 3.306 -4.417 1.000 1 A 90.013 1 ATOM 192 C CB . ILE 22 522 ? A -2.266 4.462 -7.387 1.000 1 A 90.013 1 ATOM 193 C CG1 . ILE 22 522 ? A -2.568 4.340 -8.885 1.000 1 A 90.013 1 ATOM 194 C CG2 . ILE 22 522 ? A -1.227 3.425 -6.952 1.000 1 A 90.013 1 ATOM 195 C CD1 . ILE 22 522 ? A -1.353 4.542 -9.780 1.000 1 A 90.013 1 ATOM 196 N N . LEU 23 523 ? A -3.022 5.472 -4.598 1.000 1 A 89.882 1 ATOM 197 C CA . LEU 23 523 ? A -2.754 5.627 -3.173 1.000 1 A 89.882 1 ATOM 198 C C . LEU 23 523 ? A -3.887 5.038 -2.339 1.000 1 A 89.882 1 ATOM 199 O O . LEU 23 523 ? A -3.640 4.366 -1.334 1.000 1 A 89.882 1 ATOM 200 C CB . LEU 23 523 ? A -2.561 7.104 -2.821 1.000 1 A 89.882 1 ATOM 201 C CG . LEU 23 523 ? A -1.229 7.732 -3.237 1.000 1 A 89.882 1 ATOM 202 C CD1 . LEU 23 523 ? A -1.243 9.233 -2.966 1.000 1 A 89.882 1 ATOM 203 C CD2 . LEU 23 523 ? A -0.071 7.062 -2.505 1.000 1 A 89.882 1 ATOM 204 N N . GLN 24 524 ? A -5.037 5.326 -2.782 1.000 1 A 88.508 1 ATOM 205 C CA . GLN 24 524 ? A -6.204 4.778 -2.099 1.000 1 A 88.508 1 ATOM 206 C C . GLN 24 524 ? A -6.185 3.252 -2.115 1.000 1 A 88.508 1 ATOM 207 O O . GLN 24 524 ? A -6.469 2.612 -1.100 1.000 1 A 88.508 1 ATOM 208 C CB . GLN 24 524 ? A -7.494 5.293 -2.741 1.000 1 A 88.508 1 ATOM 209 C CG . GLN 24 524 ? A -8.759 4.857 -2.015 1.000 1 A 88.508 1 ATOM 210 C CD . GLN 24 524 ? A -8.833 5.387 -0.595 1.000 1 A 88.508 1 ATOM 211 O OE1 . GLN 24 524 ? A -8.895 6.601 -0.374 1.000 1 A 88.508 1 ATOM 212 N NE2 . GLN 24 524 ? A -8.827 4.482 0.377 1.000 1 A 88.508 1 ATOM 213 N N . GLN 25 525 ? A -5.900 2.688 -3.193 1.000 1 A 90.971 1 ATOM 214 C CA . GLN 25 525 ? A -5.816 1.236 -3.318 1.000 1 A 90.971 1 ATOM 215 C C . GLN 25 525 ? A -4.775 0.662 -2.362 1.000 1 A 90.971 1 ATOM 216 O O . GLN 25 525 ? A -5.017 -0.357 -1.711 1.000 1 A 90.971 1 ATOM 217 C CB . GLN 25 525 ? A -5.485 0.839 -4.757 1.000 1 A 90.971 1 ATOM 218 C CG . GLN 25 525 ? A -6.622 1.082 -5.740 1.000 1 A 90.971 1 ATOM 219 C CD . GLN 25 525 ? A -6.289 0.625 -7.147 1.000 1 A 90.971 1 ATOM 220 O OE1 . GLN 25 525 ? A -5.215 0.930 -7.676 1.000 1 A 90.971 1 ATOM 221 N NE2 . GLN 25 525 ? A -7.207 -0.110 -7.765 1.000 1 A 90.971 1 ATOM 222 N N . ILE 26 526 ? A -3.752 1.367 -2.279 1.000 1 A 90.738 1 ATOM 223 C CA . ILE 26 526 ? A -2.648 0.937 -1.429 1.000 1 A 90.738 1 ATOM 224 C C . ILE 26 526 ? A -3.066 1.013 0.038 1.000 1 A 90.738 1 ATOM 225 O O . ILE 26 526 ? A -2.809 0.087 0.812 1.000 1 A 90.738 1 ATOM 226 C CB . ILE 26 526 ? A -1.382 1.790 -1.670 1.000 1 A 90.738 1 ATOM 227 C CG1 . ILE 26 526 ? A -0.832 1.542 -3.079 1.000 1 A 90.738 1 ATOM 228 C CG2 . ILE 26 526 ? A -0.320 1.495 -0.607 1.000 1 A 90.738 1 ATOM 229 C CD1 . ILE 26 526 ? A 0.303 2.477 -3.474 1.000 1 A 90.738 1 ATOM 230 N N . VAL 27 527 ? A -3.711 2.071 0.330 1.000 1 A 89.580 1 ATOM 231 C CA . VAL 27 527 ? A -4.190 2.255 1.696 1.000 1 A 89.580 1 ATOM 232 C C . VAL 27 527 ? A -5.177 1.145 2.052 1.000 1 A 89.580 1 ATOM 233 O O . VAL 27 527 ? A -5.108 0.571 3.141 1.000 1 A 89.580 1 ATOM 234 C CB . VAL 27 527 ? A -4.854 3.638 1.883 1.000 1 A 89.580 1 ATOM 235 C CG1 . VAL 27 527 ? A -5.570 3.715 3.231 1.000 1 A 89.580 1 ATOM 236 C CG2 . VAL 27 527 ? A -3.814 4.750 1.763 1.000 1 A 89.580 1 ATOM 237 N N . ASN 28 528 ? A -6.059 0.830 1.188 1.000 1 A 89.331 1 ATOM 238 C CA . ASN 28 528 ? A -7.044 -0.223 1.411 1.000 1 A 89.331 1 ATOM 239 C C . ASN 28 528 ? A -6.380 -1.589 1.563 1.000 1 A 89.331 1 ATOM 240 O O . ASN 28 528 ? A -6.746 -2.367 2.446 1.000 1 A 89.331 1 ATOM 241 C CB . ASN 28 528 ? A -8.065 -0.253 0.271 1.000 1 A 89.331 1 ATOM 242 C CG . ASN 28 528 ? A -9.051 0.896 0.340 1.000 1 A 89.331 1 ATOM 243 O OD1 . ASN 28 528 ? A -9.191 1.549 1.378 1.000 1 A 89.331 1 ATOM 244 N ND2 . ASN 28 528 ? A -9.741 1.152 -0.765 1.000 1 A 89.331 1 ATOM 245 N N . LEU 29 529 ? A -5.395 -1.826 0.747 1.000 1 A 91.232 1 ATOM 246 C CA . LEU 29 529 ? A -4.655 -3.083 0.772 1.000 1 A 91.232 1 ATOM 247 C C . LEU 29 529 ? A -3.887 -3.236 2.080 1.000 1 A 91.232 1 ATOM 248 O O . LEU 29 529 ? A -3.931 -4.295 2.710 1.000 1 A 91.232 1 ATOM 249 C CB . LEU 29 529 ? A -3.688 -3.159 -0.413 1.000 1 A 91.232 1 ATOM 250 C CG . LEU 29 529 ? A -2.912 -4.467 -0.572 1.000 1 A 91.232 1 ATOM 251 C CD1 . LEU 29 529 ? A -3.871 -5.624 -0.831 1.000 1 A 91.232 1 ATOM 252 C CD2 . LEU 29 529 ? A -1.891 -4.350 -1.699 1.000 1 A 91.232 1 ATOM 253 N N . ILE 30 530 ? A -3.211 -2.170 2.425 1.000 1 A 88.726 1 ATOM 254 C CA . ILE 30 530 ? A -2.393 -2.208 3.632 1.000 1 A 88.726 1 ATOM 255 C C . ILE 30 530 ? A -3.293 -2.276 4.864 1.000 1 A 88.726 1 ATOM 256 O O . ILE 30 530 ? A -2.963 -2.946 5.846 1.000 1 A 88.726 1 ATOM 257 C CB . ILE 30 530 ? A -1.456 -0.983 3.720 1.000 1 A 88.726 1 ATOM 258 C CG1 . ILE 30 530 ? A -0.471 -0.978 2.546 1.000 1 A 88.726 1 ATOM 259 C CG2 . ILE 30 530 ? A -0.713 -0.965 5.059 1.000 1 A 88.726 1 ATOM 260 C CD1 . ILE 30 530 ? A 0.479 -2.168 2.531 1.000 1 A 88.726 1 ATOM 261 N N . GLU 31 531 ? A -4.410 -1.690 4.696 1.000 1 A 86.905 1 ATOM 262 C CA . GLU 31 531 ? A -5.386 -1.749 5.779 1.000 1 A 86.905 1 ATOM 263 C C . GLU 31 531 ? A -5.893 -3.173 5.989 1.000 1 A 86.905 1 ATOM 264 O O . GLU 31 531 ? A -6.056 -3.618 7.127 1.000 1 A 86.905 1 ATOM 265 C CB . GLU 31 531 ? A -6.561 -0.809 5.496 1.000 1 A 86.905 1 ATOM 266 C CG . GLU 31 531 ? A -7.584 -0.747 6.621 1.000 1 A 86.905 1 ATOM 267 C CD . GLU 31 531 ? A -8.735 0.205 6.333 1.000 1 A 86.905 1 ATOM 268 O OE1 . GLU 31 531 ? A -9.441 0.608 7.285 1.000 1 A 86.905 1 ATOM 269 O OE2 . GLU 31 531 ? A -8.932 0.550 5.147 1.000 1 A 86.905 1 ATOM 270 N N . GLU 32 532 ? A -6.076 -3.867 5.032 1.000 1 A 88.257 1 ATOM 271 C CA . GLU 32 532 ? A -6.573 -5.237 5.100 1.000 1 A 88.257 1 ATOM 272 C C . GLU 32 532 ? A -5.533 -6.173 5.709 1.000 1 A 88.257 1 ATOM 273 O O . GLU 32 532 ? A -5.880 -7.104 6.439 1.000 1 A 88.257 1 ATOM 274 C CB . GLU 32 532 ? A -6.975 -5.733 3.708 1.000 1 A 88.257 1 ATOM 275 C CG . GLU 32 532 ? A -8.267 -5.120 3.186 1.000 1 A 88.257 1 ATOM 276 C CD . GLU 32 532 ? A -8.693 -5.677 1.838 1.000 1 A 88.257 1 ATOM 277 O OE1 . GLU 32 532 ? A -9.848 -5.435 1.418 1.000 1 A 88.257 1 ATOM 278 O OE2 . GLU 32 532 ? A -7.867 -6.363 1.196 1.000 1 A 88.257 1 ATOM 279 N N . THR 33 533 ? A -4.337 -5.800 5.510 1.000 1 A 85.950 1 ATOM 280 C CA . THR 33 533 ? A -3.243 -6.637 5.992 1.000 1 A 85.950 1 ATOM 281 C C . THR 33 533 ? A -2.991 -6.393 7.477 1.000 1 A 85.950 1 ATOM 282 O O . THR 33 533 ? A -2.531 -7.288 8.189 1.000 1 A 85.950 1 ATOM 283 C CB . THR 33 533 ? A -1.949 -6.377 5.199 1.000 1 A 85.950 1 ATOM 284 O OG1 . THR 33 533 ? A -1.499 -5.041 5.455 1.000 1 A 85.950 1 ATOM 285 C CG2 . THR 33 533 ? A -2.179 -6.546 3.701 1.000 1 A 85.950 1 ATOM 286 N N . GLY 34 534 ? A -3.267 -5.276 8.037 1.000 1 A 82.039 1 ATOM 287 C CA . GLY 34 534 ? A -3.130 -4.943 9.446 1.000 1 A 82.039 1 ATOM 288 C C . GLY 34 534 ? A -1.710 -4.582 9.838 1.000 1 A 82.039 1 ATOM 289 O O . GLY 34 534 ? A -1.395 -4.477 11.025 1.000 1 A 82.039 1 ATOM 290 N N . HIS 35 535 ? A -0.788 -4.526 8.840 1.000 1 A 77.151 1 ATOM 291 C CA . HIS 35 535 ? A 0.604 -4.203 9.130 1.000 1 A 77.151 1 ATOM 292 C C . HIS 35 535 ? A 0.864 -2.707 8.984 1.000 1 A 77.151 1 ATOM 293 O O . HIS 35 535 ? A 1.739 -2.297 8.218 1.000 1 A 77.151 1 ATOM 294 C CB . HIS 35 535 ? A 1.540 -4.991 8.212 1.000 1 A 77.151 1 ATOM 295 C CG . HIS 35 535 ? A 1.524 -6.465 8.462 1.000 1 A 77.151 1 ATOM 296 N ND1 . HIS 35 535 ? A 0.646 -7.318 7.829 1.000 1 A 77.151 1 ATOM 297 C CD2 . HIS 35 535 ? A 2.283 -7.237 9.275 1.000 1 A 77.151 1 ATOM 298 C CE1 . HIS 35 535 ? A 0.866 -8.554 8.245 1.000 1 A 77.151 1 ATOM 299 N NE2 . HIS 35 535 ? A 1.854 -8.533 9.122 1.000 1 A 77.151 1 ATOM 300 N N . PHE 36 536 ? A 0.033 -1.873 9.513 1.000 1 A 83.064 1 ATOM 301 C CA . PHE 36 536 ? A 0.184 -0.428 9.393 1.000 1 A 83.064 1 ATOM 302 C C . PHE 36 536 ? A -0.177 0.266 10.701 1.000 1 A 83.064 1 ATOM 303 O O . PHE 36 536 ? A -0.769 -0.348 11.592 1.000 1 A 83.064 1 ATOM 304 C CB . PHE 36 536 ? A -0.687 0.112 8.254 1.000 1 A 83.064 1 ATOM 305 C CG . PHE 36 536 ? A -2.165 -0.007 8.512 1.000 1 A 83.064 1 ATOM 306 C CD1 . PHE 36 536 ? A -2.854 -1.163 8.167 1.000 1 A 83.064 1 ATOM 307 C CD2 . PHE 36 536 ? A -2.865 1.038 9.100 1.000 1 A 83.064 1 ATOM 308 C CE1 . PHE 36 536 ? A -4.222 -1.276 8.404 1.000 1 A 83.064 1 ATOM 309 C CE2 . PHE 36 536 ? A -4.232 0.933 9.341 1.000 1 A 83.064 1 ATOM 310 C CZ . PHE 36 536 ? A -4.909 -0.224 8.991 1.000 1 A 83.064 1 ATOM 311 N N . HIS 37 537 ? A 0.449 1.356 10.859 1.000 1 A 80.496 1 ATOM 312 C CA . HIS 37 537 ? A 0.103 2.255 11.954 1.000 1 A 80.496 1 ATOM 313 C C . HIS 37 537 ? A -0.648 3.480 11.445 1.000 1 A 80.496 1 ATOM 314 O O . HIS 37 537 ? A -0.129 4.233 10.618 1.000 1 A 80.496 1 ATOM 315 C CB . HIS 37 537 ? A 1.360 2.686 12.711 1.000 1 A 80.496 1 ATOM 316 C CG . HIS 37 537 ? A 2.027 1.571 13.452 1.000 1 A 80.496 1 ATOM 317 N ND1 . HIS 37 537 ? A 3.042 0.817 12.904 1.000 1 A 80.496 1 ATOM 318 C CD2 . HIS 37 537 ? A 1.825 1.086 14.699 1.000 1 A 80.496 1 ATOM 319 C CE1 . HIS 37 537 ? A 3.435 -0.088 13.785 1.000 1 A 80.496 1 ATOM 320 N NE2 . HIS 37 537 ? A 2.712 0.055 14.883 1.000 1 A 80.496 1 ATOM 321 N N . ILE 38 538 ? A -1.950 3.393 11.710 1.000 1 A 81.776 1 ATOM 322 C CA . ILE 38 538 ? A -2.771 4.530 11.309 1.000 1 A 81.776 1 ATOM 323 C C . ILE 38 538 ? A -2.806 5.563 12.434 1.000 1 A 81.776 1 ATOM 324 O O . ILE 38 538 ? A -3.081 5.224 13.588 1.000 1 A 81.776 1 ATOM 325 C CB . ILE 38 538 ? A -4.206 4.089 10.942 1.000 1 A 81.776 1 ATOM 326 C CG1 . ILE 38 538 ? A -5.008 5.278 10.401 1.000 1 A 81.776 1 ATOM 327 C CG2 . ILE 38 538 ? A -4.905 3.462 12.152 1.000 1 A 81.776 1 ATOM 328 C CD1 . ILE 38 538 ? A -6.177 4.882 9.509 1.000 1 A 81.776 1 ATOM 329 N N . THR 39 539 ? A -2.233 6.693 12.194 1.000 1 A 79.147 1 ATOM 330 C CA . THR 39 539 ? A -2.420 7.750 13.182 1.000 1 A 79.147 1 ATOM 331 C C . THR 39 539 ? A -3.677 8.559 12.876 1.000 1 A 79.147 1 ATOM 332 O O . THR 39 539 ? A -4.790 8.130 13.191 1.000 1 A 79.147 1 ATOM 333 C CB . THR 39 539 ? A -1.201 8.689 13.232 1.000 1 A 79.147 1 ATOM 334 O OG1 . THR 39 539 ? A -0.949 9.207 11.920 1.000 1 A 79.147 1 ATOM 335 C CG2 . THR 39 539 ? A 0.041 7.953 13.724 1.000 1 A 79.147 1 ATOM 336 N N . ASN 40 540 ? A -4.035 9.556 12.932 1.000 1 A 71.997 1 ATOM 337 C CA . ASN 40 540 ? A -5.173 10.446 12.729 1.000 1 A 71.997 1 ATOM 338 C C . ASN 40 540 ? A -5.221 10.979 11.300 1.000 1 A 71.997 1 ATOM 339 O O . ASN 40 540 ? A -6.292 11.054 10.696 1.000 1 A 71.997 1 ATOM 340 C CB . ASN 40 540 ? A -5.134 11.605 13.727 1.000 1 A 71.997 1 ATOM 341 C CG . ASN 40 540 ? A -5.524 11.181 15.129 1.000 1 A 71.997 1 ATOM 342 O OD1 . ASN 40 540 ? A -6.284 10.227 15.314 1.000 1 A 71.997 1 ATOM 343 N ND2 . ASN 40 540 ? A -5.007 11.887 16.128 1.000 1 A 71.997 1 ATOM 344 N N . THR 41 541 ? A -4.238 11.117 10.788 1.000 1 A 77.193 1 ATOM 345 C CA . THR 41 541 ? A -4.213 11.774 9.486 1.000 1 A 77.193 1 ATOM 346 C C . THR 41 541 ? A -3.205 11.100 8.559 1.000 1 A 77.193 1 ATOM 347 O O . THR 41 541 ? A -3.030 11.520 7.413 1.000 1 A 77.193 1 ATOM 348 C CB . THR 41 541 ? A -3.870 13.269 9.621 1.000 1 A 77.193 1 ATOM 349 O OG1 . THR 41 541 ? A -2.609 13.405 10.287 1.000 1 A 77.193 1 ATOM 350 C CG2 . THR 41 541 ? A -4.937 14.008 10.421 1.000 1 A 77.193 1 ATOM 351 N N . THR 42 542 ? A -2.578 10.082 9.105 1.000 1 A 84.743 1 ATOM 352 C CA . THR 42 542 ? A -1.501 9.524 8.295 1.000 1 A 84.743 1 ATOM 353 C C . THR 42 542 ? A -1.481 8.001 8.396 1.000 1 A 84.743 1 ATOM 354 O O . THR 42 542 ? A -1.869 7.437 9.421 1.000 1 A 84.743 1 ATOM 355 C CB . THR 42 542 ? A -0.132 10.087 8.720 1.000 1 A 84.743 1 ATOM 356 O OG1 . THR 42 542 ? A 0.106 9.759 10.095 1.000 1 A 84.743 1 ATOM 357 C CG2 . THR 42 542 ? A -0.086 11.602 8.555 1.000 1 A 84.743 1 ATOM 358 N N . PHE 43 543 ? A -1.254 7.311 7.198 1.000 1 A 85.279 1 ATOM 359 C CA . PHE 43 543 ? A -1.015 5.875 7.131 1.000 1 A 85.279 1 ATOM 360 C C . PHE 43 543 ? A 0.479 5.576 7.083 1.000 1 A 85.279 1 ATOM 361 O O . PHE 43 543 ? A 1.155 5.922 6.112 1.000 1 A 85.279 1 ATOM 362 C CB . PHE 43 543 ? A -1.711 5.269 5.908 1.000 1 A 85.279 1 ATOM 363 C CG . PHE 43 543 ? A -2.108 3.828 6.087 1.000 1 A 85.279 1 ATOM 364 C CD1 . PHE 43 543 ? A -1.350 2.809 5.524 1.000 1 A 85.279 1 ATOM 365 C CD2 . PHE 43 543 ? A -3.239 3.493 6.820 1.000 1 A 85.279 1 ATOM 366 C CE1 . PHE 43 543 ? A -1.714 1.475 5.687 1.000 1 A 85.279 1 ATOM 367 C CE2 . PHE 43 543 ? A -3.609 2.162 6.988 1.000 1 A 85.279 1 ATOM 368 C CZ . PHE 43 543 ? A -2.846 1.154 6.420 1.000 1 A 85.279 1 ATOM 369 N N . ASP 44 544 ? A 0.908 5.011 8.168 1.000 1 A 89.208 1 ATOM 370 C CA . ASP 44 544 ? A 2.325 4.669 8.243 1.000 1 A 89.208 1 ATOM 371 C C . ASP 44 544 ? A 2.526 3.155 8.219 1.000 1 A 89.208 1 ATOM 372 O O . ASP 44 544 ? A 1.879 2.425 8.973 1.000 1 A 89.208 1 ATOM 373 C CB . ASP 44 544 ? A 2.954 5.263 9.505 1.000 1 A 89.208 1 ATOM 374 C CG . ASP 44 544 ? A 2.939 6.781 9.516 1.000 1 A 89.208 1 ATOM 375 O OD1 . ASP 44 544 ? A 2.685 7.397 8.459 1.000 1 A 89.208 1 ATOM 376 O OD2 . ASP 44 544 ? A 3.185 7.368 10.593 1.000 1 A 89.208 1 ATOM 377 N N . PHE 45 545 ? A 3.243 2.684 7.356 1.000 1 A 88.881 1 ATOM 378 C CA . PHE 45 545 ? A 3.502 1.249 7.327 1.000 1 A 88.881 1 ATOM 379 C C . PHE 45 545 ? A 4.923 0.965 6.854 1.000 1 A 88.881 1 ATOM 380 O O . PHE 45 545 ? A 5.552 1.814 6.219 1.000 1 A 88.881 1 ATOM 381 C CB . PHE 45 545 ? A 2.494 0.538 6.419 1.000 1 A 88.881 1 ATOM 382 C CG . PHE 45 545 ? A 2.611 0.918 4.968 1.000 1 A 88.881 1 ATOM 383 C CD1 . PHE 45 545 ? A 1.986 2.061 4.482 1.000 1 A 88.881 1 ATOM 384 C CD2 . PHE 45 545 ? A 3.345 0.133 4.089 1.000 1 A 88.881 1 ATOM 385 C CE1 . PHE 45 545 ? A 2.092 2.416 3.140 1.000 1 A 88.881 1 ATOM 386 C CE2 . PHE 45 545 ? A 3.455 0.482 2.745 1.000 1 A 88.881 1 ATOM 387 C CZ . PHE 45 545 ? A 2.827 1.623 2.273 1.000 1 A 88.881 1 ATOM 388 N N . ASP 46 546 ? A 5.410 -0.094 7.292 1.000 1 A 90.863 1 ATOM 389 C CA . ASP 46 546 ? A 6.745 -0.569 6.938 1.000 1 A 90.863 1 ATOM 390 C C . ASP 46 546 ? A 6.674 -1.665 5.877 1.000 1 A 90.863 1 ATOM 391 O O . ASP 46 546 ? A 5.934 -2.638 6.031 1.000 1 A 90.863 1 ATOM 392 C CB . ASP 46 546 ? A 7.477 -1.084 8.179 1.000 1 A 90.863 1 ATOM 393 C CG . ASP 46 546 ? A 7.742 0.003 9.206 1.000 1 A 90.863 1 ATOM 394 O OD1 . ASP 46 546 ? A 7.799 1.194 8.832 1.000 1 A 90.863 1 ATOM 395 O OD2 . ASP 46 546 ? A 7.897 -0.335 10.399 1.000 1 A 90.863 1 ATOM 396 N N . LEU 47 547 ? A 7.475 -1.518 4.811 1.000 1 A 89.841 1 ATOM 397 C CA . LEU 47 547 ? A 7.474 -2.500 3.732 1.000 1 A 89.841 1 ATOM 398 C C . LEU 47 547 ? A 8.051 -3.830 4.206 1.000 1 A 89.841 1 ATOM 399 O O . LEU 47 547 ? A 7.670 -4.890 3.705 1.000 1 A 89.841 1 ATOM 400 C CB . LEU 47 547 ? A 8.275 -1.981 2.534 1.000 1 A 89.841 1 ATOM 401 C CG . LEU 47 547 ? A 7.647 -0.831 1.746 1.000 1 A 89.841 1 ATOM 402 C CD1 . LEU 47 547 ? A 8.549 -0.430 0.583 1.000 1 A 89.841 1 ATOM 403 C CD2 . LEU 47 547 ? A 6.261 -1.220 1.244 1.000 1 A 89.841 1 ATOM 404 N N . CYS 48 548 ? A 8.832 -3.827 5.280 1.000 1 A 88.339 1 ATOM 405 C CA . CYS 48 548 ? A 9.464 -5.039 5.788 1.000 1 A 88.339 1 ATOM 406 C C . CYS 48 548 ? A 8.466 -5.889 6.566 1.000 1 A 88.339 1 ATOM 407 O O . CYS 48 548 ? A 8.683 -7.087 6.760 1.000 1 A 88.339 1 ATOM 408 C CB . CYS 48 548 ? A 10.655 -4.690 6.679 1.000 1 A 88.339 1 ATOM 409 S SG . CYS 48 548 ? A 12.053 -3.982 5.781 1.000 1 A 88.339 1 ATOM 410 N N . SER 49 549 ? A 7.367 -5.184 6.920 1.000 1 A 88.646 1 ATOM 411 C CA . SER 49 549 ? A 6.369 -5.860 7.743 1.000 1 A 88.646 1 ATOM 412 C C . SER 49 549 ? A 5.252 -6.447 6.887 1.000 1 A 88.646 1 ATOM 413 O O . SER 49 549 ? A 4.394 -7.175 7.390 1.000 1 A 88.646 1 ATOM 414 C CB . SER 49 549 ? A 5.781 -4.896 8.773 1.000 1 A 88.646 1 ATOM 415 O OG . SER 49 549 ? A 6.773 -4.478 9.695 1.000 1 A 88.646 1 ATOM 416 N N . LEU 50 550 ? A 5.352 -6.251 5.657 1.000 1 A 89.008 1 ATOM 417 C CA . LEU 50 550 ? A 4.320 -6.715 4.736 1.000 1 A 89.008 1 ATOM 418 C C . LEU 50 550 ? A 4.672 -8.087 4.172 1.000 1 A 89.008 1 ATOM 419 O O . LEU 50 550 ? A 5.847 -8.457 4.114 1.000 1 A 89.008 1 ATOM 420 C CB . LEU 50 550 ? A 4.132 -5.713 3.593 1.000 1 A 89.008 1 ATOM 421 C CG . LEU 50 550 ? A 3.610 -4.330 3.984 1.000 1 A 89.008 1 ATOM 422 C CD1 . LEU 50 550 ? A 3.611 -3.402 2.773 1.000 1 A 89.008 1 ATOM 423 C CD2 . LEU 50 550 ? A 2.211 -4.435 4.582 1.000 1 A 89.008 1 ATOM 424 N N . ASP 51 551 ? A 3.621 -8.793 3.904 1.000 1 A 91.809 1 ATOM 425 C CA . ASP 51 551 ? A 3.793 -10.102 3.281 1.000 1 A 91.809 1 ATOM 426 C C . ASP 51 551 ? A 4.306 -9.965 1.850 1.000 1 A 91.809 1 ATOM 427 O O . ASP 51 551 ? A 4.113 -8.928 1.212 1.000 1 A 91.809 1 ATOM 428 C CB . ASP 51 551 ? A 2.476 -10.880 3.296 1.000 1 A 91.809 1 ATOM 429 C CG . ASP 51 551 ? A 2.027 -11.261 4.696 1.000 1 A 91.809 1 ATOM 430 O OD1 . ASP 51 551 ? A 2.886 -11.418 5.590 1.000 1 A 91.809 1 ATOM 431 O OD2 . ASP 51 551 ? A 0.804 -11.408 4.906 1.000 1 A 91.809 1 ATOM 432 N N . LYS 52 552 ? A 5.045 -10.952 1.400 1.000 1 A 91.166 1 ATOM 433 C CA . LYS 52 552 ? A 5.584 -10.968 0.043 1.000 1 A 91.166 1 ATOM 434 C C . LYS 52 552 ? A 4.478 -10.777 -0.991 1.000 1 A 91.166 1 ATOM 435 O O . LYS 52 552 ? A 4.661 -10.063 -1.979 1.000 1 A 91.166 1 ATOM 436 C CB . LYS 52 552 ? A 6.330 -12.277 -0.223 1.000 1 A 91.166 1 ATOM 437 C CG . LYS 52 552 ? A 7.126 -12.283 -1.519 1.000 1 A 91.166 1 ATOM 438 C CD . LYS 52 552 ? A 7.953 -13.555 -1.661 1.000 1 A 91.166 1 ATOM 439 C CE . LYS 52 552 ? A 8.715 -13.583 -2.980 1.000 1 A 91.166 1 ATOM 440 N NZ . LYS 52 552 ? A 9.579 -14.796 -3.094 1.000 1 A 91.166 1 ATOM 441 N N . THR 53 553 ? A 3.339 -11.301 -0.730 1.000 1 A 92.156 1 ATOM 442 C CA . THR 53 553 ? A 2.207 -11.203 -1.645 1.000 1 A 92.156 1 ATOM 443 C C . THR 53 553 ? A 1.669 -9.775 -1.689 1.000 1 A 92.156 1 ATOM 444 O O . THR 53 553 ? A 1.301 -9.278 -2.755 1.000 1 A 92.156 1 ATOM 445 C CB . THR 53 553 ? A 1.077 -12.168 -1.242 1.000 1 A 92.156 1 ATOM 446 O OG1 . THR 53 553 ? A 0.672 -11.884 0.103 1.000 1 A 92.156 1 ATOM 447 C CG2 . THR 53 553 ? A 1.537 -13.619 -1.326 1.000 1 A 92.156 1 ATOM 448 N N . THR 54 554 ? A 1.547 -9.156 -0.576 1.000 1 A 91.485 1 ATOM 449 C CA . THR 54 554 ? A 1.088 -7.775 -0.481 1.000 1 A 91.485 1 ATOM 450 C C . THR 54 554 ? A 2.040 -6.837 -1.219 1.000 1 A 91.485 1 ATOM 451 O O . THR 54 554 ? A 1.601 -5.917 -1.912 1.000 1 A 91.485 1 ATOM 452 C CB . THR 54 554 ? A 0.959 -7.328 0.987 1.000 1 A 91.485 1 ATOM 453 O OG1 . THR 54 554 ? A 0.080 -8.226 1.677 1.000 1 A 91.485 1 ATOM 454 C CG2 . THR 54 554 ? A 0.400 -5.913 1.084 1.000 1 A 91.485 1 ATOM 455 N N . VAL 55 555 ? A 3.355 -7.130 -1.046 1.000 1 A 91.862 1 ATOM 456 C CA . VAL 55 555 ? A 4.378 -6.337 -1.720 1.000 1 A 91.862 1 ATOM 457 C C . VAL 55 555 ? A 4.232 -6.483 -3.233 1.000 1 A 91.862 1 ATOM 458 O O . VAL 55 555 ? A 4.330 -5.500 -3.970 1.000 1 A 91.862 1 ATOM 459 C CB . VAL 55 555 ? A 5.800 -6.753 -1.279 1.000 1 A 91.862 1 ATOM 460 C CG1 . VAL 55 555 ? A 6.856 -6.049 -2.129 1.000 1 A 91.862 1 ATOM 461 C CG2 . VAL 55 555 ? A 6.010 -6.445 0.203 1.000 1 A 91.862 1 ATOM 462 N N . ARG 56 556 ? A 3.919 -7.621 -3.699 1.000 1 A 92.579 1 ATOM 463 C CA . ARG 56 556 ? A 3.715 -7.874 -5.122 1.000 1 A 92.579 1 ATOM 464 C C . ARG 56 556 ? A 2.495 -7.121 -5.643 1.000 1 A 92.579 1 ATOM 465 O O . ARG 56 556 ? A 2.522 -6.573 -6.747 1.000 1 A 92.579 1 ATOM 466 C CB . ARG 56 556 ? A 3.557 -9.373 -5.384 1.000 1 A 92.579 1 ATOM 467 C CG . ARG 56 556 ? A 4.839 -10.169 -5.203 1.000 1 A 92.579 1 ATOM 468 C CD . ARG 56 556 ? A 5.835 -9.897 -6.321 1.000 1 A 92.579 1 ATOM 469 N NE . ARG 56 556 ? A 6.048 -11.079 -7.152 1.000 1 A 92.579 1 ATOM 470 C CZ . ARG 56 556 ? A 6.354 -11.050 -8.446 1.000 1 A 92.579 1 ATOM 471 N NH1 . ARG 56 556 ? A 6.490 -9.894 -9.086 1.000 1 A 92.579 1 ATOM 472 N NH2 . ARG 56 556 ? A 6.526 -12.186 -9.107 1.000 1 A 92.579 1 ATOM 473 N N . LYS 57 557 ? A 1.461 -7.146 -4.836 1.000 1 A 93.069 1 ATOM 474 C CA . LYS 57 557 ? A 0.254 -6.409 -5.200 1.000 1 A 93.069 1 ATOM 475 C C . LYS 57 557 ? A 0.525 -4.909 -5.270 1.000 1 A 93.069 1 ATOM 476 O O . LYS 57 557 ? A 0.037 -4.226 -6.172 1.000 1 A 93.069 1 ATOM 477 C CB . LYS 57 557 ? A -0.870 -6.693 -4.202 1.000 1 A 93.069 1 ATOM 478 C CG . LYS 57 557 ? A -1.485 -8.077 -4.340 1.000 1 A 93.069 1 ATOM 479 C CD . LYS 57 557 ? A -2.679 -8.254 -3.411 1.000 1 A 93.069 1 ATOM 480 C CE . LYS 57 557 ? A -3.322 -9.624 -3.579 1.000 1 A 93.069 1 ATOM 481 N NZ . LYS 57 557 ? A -4.474 -9.813 -2.647 1.000 1 A 93.069 1 ATOM 482 N N . LEU 58 558 ? A 1.232 -4.438 -4.354 1.000 1 A 92.811 1 ATOM 483 C CA . LEU 58 558 ? A 1.612 -3.030 -4.347 1.000 1 A 92.811 1 ATOM 484 C C . LEU 58 558 ? A 2.400 -2.673 -5.603 1.000 1 A 92.811 1 ATOM 485 O O . LEU 58 558 ? A 2.159 -1.631 -6.216 1.000 1 A 92.811 1 ATOM 486 C CB . LEU 58 558 ? A 2.441 -2.704 -3.101 1.000 1 A 92.811 1 ATOM 487 C CG . LEU 58 558 ? A 1.676 -2.625 -1.779 1.000 1 A 92.811 1 ATOM 488 C CD1 . LEU 58 558 ? A 2.642 -2.395 -0.621 1.000 1 A 92.811 1 ATOM 489 C CD2 . LEU 58 558 ? A 0.627 -1.520 -1.835 1.000 1 A 92.811 1 ATOM 490 N N . GLN 59 559 ? A 3.293 -3.542 -5.896 1.000 1 A 92.224 1 ATOM 491 C CA . GLN 59 559 ? A 4.070 -3.357 -7.117 1.000 1 A 92.224 1 ATOM 492 C C . GLN 59 559 ? A 3.165 -3.325 -8.345 1.000 1 A 92.224 1 ATOM 493 O O . GLN 59 559 ? A 3.380 -2.528 -9.261 1.000 1 A 92.224 1 ATOM 494 C CB . GLN 59 559 ? A 5.113 -4.466 -7.263 1.000 1 A 92.224 1 ATOM 495 C CG . GLN 59 559 ? A 6.287 -4.336 -6.302 1.000 1 A 92.224 1 ATOM 496 C CD . GLN 59 559 ? A 7.319 -5.434 -6.483 1.000 1 A 92.224 1 ATOM 497 O OE1 . GLN 59 559 ? A 6.981 -6.569 -6.834 1.000 1 A 92.224 1 ATOM 498 N NE2 . GLN 59 559 ? A 8.583 -5.105 -6.245 1.000 1 A 92.224 1 ATOM 499 N N . SER 60 560 ? A 2.202 -4.208 -8.261 1.000 1 A 92.340 1 ATOM 500 C CA . SER 60 560 ? A 1.251 -4.305 -9.363 1.000 1 A 92.340 1 ATOM 501 C C . SER 60 560 ? A 0.454 -3.014 -9.520 1.000 1 A 92.340 1 ATOM 502 O O . SER 60 560 ? A 0.259 -2.531 -10.637 1.000 1 A 92.340 1 ATOM 503 C CB . SER 60 560 ? A 0.296 -5.480 -9.146 1.000 1 A 92.340 1 ATOM 504 O OG . SER 60 560 ? A -0.609 -5.599 -10.230 1.000 1 A 92.340 1 ATOM 505 N N . TYR 61 561 ? A -0.006 -2.439 -8.433 1.000 1 A 90.998 1 ATOM 506 C CA . TYR 61 561 ? A -0.745 -1.182 -8.439 1.000 1 A 90.998 1 ATOM 507 C C . TYR 61 561 ? A 0.103 -0.053 -9.013 1.000 1 A 90.998 1 ATOM 508 O O . TYR 61 561 ? A -0.404 0.805 -9.740 1.000 1 A 90.998 1 ATOM 509 C CB . TYR 61 561 ? A -1.205 -0.821 -7.023 1.000 1 A 90.998 1 ATOM 510 C CG . TYR 61 561 ? A -2.228 -1.776 -6.456 1.000 1 A 90.998 1 ATOM 511 C CD1 . TYR 61 561 ? A -3.153 -2.408 -7.283 1.000 1 A 90.998 1 ATOM 512 C CD2 . TYR 61 561 ? A -2.271 -2.046 -5.092 1.000 1 A 90.998 1 ATOM 513 C CE1 . TYR 61 561 ? A -4.099 -3.287 -6.764 1.000 1 A 90.998 1 ATOM 514 C CE2 . TYR 61 561 ? A -3.212 -2.923 -4.563 1.000 1 A 90.998 1 ATOM 515 C CZ . TYR 61 561 ? A -4.120 -3.538 -5.405 1.000 1 A 90.998 1 ATOM 516 O OH . TYR 61 561 ? A -5.054 -4.407 -4.886 1.000 1 A 90.998 1 ATOM 517 N N . LEU 62 562 ? A 1.342 -0.142 -8.782 1.000 1 A 89.547 1 ATOM 518 C CA . LEU 62 562 ? A 2.267 0.892 -9.234 1.000 1 A 89.547 1 ATOM 519 C C . LEU 62 562 ? A 2.609 0.708 -10.709 1.000 1 A 89.547 1 ATOM 520 O O . LEU 62 562 ? A 2.867 1.684 -11.417 1.000 1 A 89.547 1 ATOM 521 C CB . LEU 62 562 ? A 3.547 0.869 -8.395 1.000 1 A 89.547 1 ATOM 522 C CG . LEU 62 562 ? A 3.434 1.414 -6.970 1.000 1 A 89.547 1 ATOM 523 C CD1 . LEU 62 562 ? A 4.731 1.172 -6.205 1.000 1 A 89.547 1 ATOM 524 C CD2 . LEU 62 562 ? A 3.089 2.899 -6.991 1.000 1 A 89.547 1 ATOM 525 N N . GLU 63 563 ? A 2.639 -0.510 -11.150 1.000 1 A 86.905 1 ATOM 526 C CA . GLU 63 563 ? A 2.928 -0.789 -12.554 1.000 1 A 86.905 1 ATOM 527 C C . GLU 63 563 ? A 1.796 -0.308 -13.456 1.000 1 A 86.905 1 ATOM 528 O O . GLU 63 563 ? A 2.036 0.118 -14.588 1.000 1 A 86.905 1 ATOM 529 C CB . GLU 63 563 ? A 3.171 -2.286 -12.766 1.000 1 A 86.905 1 ATOM 530 C CG . GLU 63 563 ? A 4.497 -2.779 -12.207 1.000 1 A 86.905 1 ATOM 531 C CD . GLU 63 563 ? A 4.699 -4.277 -12.375 1.000 1 A 86.905 1 ATOM 532 O OE1 . GLU 63 563 ? A 5.774 -4.791 -11.990 1.000 1 A 86.905 1 ATOM 533 O OE2 . GLU 63 563 ? A 3.776 -4.941 -12.897 1.000 1 A 86.905 1 ATOM 534 N N . THR 64 564 ? A 0.600 -0.360 -12.865 1.000 1 A 80.747 1 ATOM 535 C CA . THR 64 564 ? A -0.562 0.063 -13.640 1.000 1 A 80.747 1 ATOM 536 C C . THR 64 564 ? A -0.700 1.582 -13.623 1.000 1 A 80.747 1 ATOM 537 O O . THR 64 564 ? A -1.281 2.168 -14.539 1.000 1 A 80.747 1 ATOM 538 C CB . THR 64 564 ? A -1.855 -0.579 -13.104 1.000 1 A 80.747 1 ATOM 539 O OG1 . THR 64 564 ? A -1.971 -0.305 -11.702 1.000 1 A 80.747 1 ATOM 540 C CG2 . THR 64 564 ? A -1.848 -2.089 -13.315 1.000 1 A 80.747 1 ATOM 541 N N . SER 65 565 ? A -0.172 2.267 -12.454 1.000 1 A 73.539 1 ATOM 542 C CA . SER 65 565 ? A -0.354 3.675 -12.119 1.000 1 A 73.539 1 ATOM 543 C C . SER 65 565 ? A 0.676 4.549 -12.826 1.000 1 A 73.539 1 ATOM 544 O O . SER 65 565 ? A 0.419 5.723 -13.100 1.000 1 A 73.539 1 ATOM 545 C CB . SER 65 565 ? A -0.261 3.883 -10.607 1.000 1 A 73.539 1 ATOM 546 O OG . SER 65 565 ? A 1.036 3.562 -10.134 1.000 1 A 73.539 1 ATOM 547 N N . GLY 66 566 ? A 1.726 4.156 -13.583 1.000 1 A 62.191 1 ATOM 548 C CA . GLY 66 566 ? A 2.643 5.189 -14.038 1.000 1 A 62.191 1 ATOM 549 C C . GLY 66 566 ? A 3.797 4.644 -14.857 1.000 1 A 62.191 1 ATOM 550 O O . GLY 66 566 ? A 4.589 3.838 -14.364 1.000 1 A 62.191 1 ATOM 551 N N . THR 67 567 ? A 3.822 4.401 -16.202 1.000 1 A 47.447 1 ATOM 552 C CA . THR 67 567 ? A 4.762 4.687 -17.280 1.000 1 A 47.447 1 ATOM 553 C C . THR 67 567 ? A 4.253 4.125 -18.605 1.000 1 A 47.447 1 ATOM 554 O O . THR 67 567 ? A 4.334 2.919 -18.846 1.000 1 A 47.447 1 ATOM 555 C CB . THR 67 567 ? A 6.155 4.106 -16.975 1.000 1 A 47.447 1 ATOM 556 O OG1 . THR 67 567 ? A 6.044 2.691 -16.779 1.000 1 A 47.447 1 ATOM 557 C CG2 . THR 67 567 ? A 6.752 4.736 -15.721 1.000 1 A 47.447 1 ATOM 558 N N . SER 68 568 ? A 3.031 4.247 -19.171 1.000 1 A 36.359 1 ATOM 559 C CA . SER 68 568 ? A 2.940 4.501 -20.605 1.000 1 A 36.359 1 ATOM 560 C C . SER 68 568 ? A 3.382 5.921 -20.944 1.000 1 A 36.359 1 ATOM 561 O O . SER 68 568 ? A 3.236 6.833 -20.128 1.000 1 A 36.359 1 ATOM 562 C CB . SER 68 568 ? A 1.513 4.270 -21.102 1.000 1 A 36.359 1 ATOM 563 O OG . SER 68 568 ? A 1.465 4.281 -22.518 1.000 1 A 36.359 1 ATOM 564 N N . ALA 1 1121 ? B -2.597 38.848 -32.677 1.000 2 B 44.859 1 ATOM 565 C CA . ALA 1 1121 ? B -1.216 38.423 -32.462 1.000 2 B 44.859 1 ATOM 566 C C . ALA 1 1121 ? B -1.160 37.111 -31.686 1.000 2 B 44.859 1 ATOM 567 O O . ALA 1 1121 ? B -1.605 37.042 -30.538 1.000 2 B 44.859 1 ATOM 568 C CB . ALA 1 1121 ? B -0.434 39.508 -31.724 1.000 2 B 44.859 1 ATOM 569 N N . SER 2 1122 ? B -1.529 35.941 -32.295 1.000 2 B 37.751 1 ATOM 570 C CA . SER 2 1122 ? B -1.323 34.559 -32.713 1.000 2 B 37.751 1 ATOM 571 C C . SER 2 1122 ? B -0.946 33.674 -31.530 1.000 2 B 37.751 1 ATOM 572 O O . SER 2 1122 ? B -0.055 34.017 -30.750 1.000 2 B 37.751 1 ATOM 573 C CB . SER 2 1122 ? B -0.236 34.480 -33.786 1.000 2 B 37.751 1 ATOM 574 O OG . SER 2 1122 ? B 1.031 34.229 -33.201 1.000 2 B 37.751 1 ATOM 575 N N . ASP 3 1123 ? B -1.838 32.913 -30.935 1.000 2 B 34.406 1 ATOM 576 C CA . ASP 3 1123 ? B -2.237 31.510 -30.889 1.000 2 B 34.406 1 ATOM 577 C C . ASP 3 1123 ? B -1.018 30.591 -30.933 1.000 2 B 34.406 1 ATOM 578 O O . ASP 3 1123 ? B -0.197 30.684 -31.848 1.000 2 B 34.406 1 ATOM 579 C CB . ASP 3 1123 ? B -3.185 31.183 -32.045 1.000 2 B 34.406 1 ATOM 580 C CG . ASP 3 1123 ? B -4.191 30.100 -31.698 1.000 2 B 34.406 1 ATOM 581 O OD1 . ASP 3 1123 ? B -4.022 28.945 -32.146 1.000 2 B 34.406 1 ATOM 582 O OD2 . ASP 3 1123 ? B -5.162 30.404 -30.973 1.000 2 B 34.406 1 ATOM 583 N N . MET 4 1124 ? B -0.598 29.878 -29.862 1.000 2 B 43.378 1 ATOM 584 C CA . MET 4 1124 ? B -0.522 28.438 -29.632 1.000 2 B 43.378 1 ATOM 585 C C . MET 4 1124 ? B 0.662 28.092 -28.734 1.000 2 B 43.378 1 ATOM 586 O O . MET 4 1124 ? B 1.801 28.454 -29.035 1.000 2 B 43.378 1 ATOM 587 C CB . MET 4 1124 ? B -0.409 27.686 -30.959 1.000 2 B 43.378 1 ATOM 588 C CG . MET 4 1124 ? B -1.064 26.314 -30.944 1.000 2 B 43.378 1 ATOM 589 S SD . MET 4 1124 ? B -2.896 26.409 -30.996 1.000 2 B 43.378 1 ATOM 590 C CE . MET 4 1124 ? B -3.150 26.724 -32.765 1.000 2 B 43.378 1 ATOM 591 N N . PRO 5 1125 ? B 0.529 27.162 -27.692 1.000 2 B 43.994 1 ATOM 592 C CA . PRO 5 1125 ? B 1.322 26.491 -26.660 1.000 2 B 43.994 1 ATOM 593 C C . PRO 5 1125 ? B 1.882 25.149 -27.127 1.000 2 B 43.994 1 ATOM 594 O O . PRO 5 1125 ? B 1.226 24.433 -27.888 1.000 2 B 43.994 1 ATOM 595 C CB . PRO 5 1125 ? B 0.323 26.297 -25.517 1.000 2 B 43.994 1 ATOM 596 C CG . PRO 5 1125 ? B -0.989 26.060 -26.193 1.000 2 B 43.994 1 ATOM 597 C CD . PRO 5 1125 ? B -0.821 26.314 -27.664 1.000 2 B 43.994 1 ATOM 598 N N . HIS 6 1126 ? B 3.152 24.992 -27.404 1.000 2 B 43.532 1 ATOM 599 C CA . HIS 6 1126 ? B 3.876 23.734 -27.548 1.000 2 B 43.532 1 ATOM 600 C C . HIS 6 1126 ? B 4.915 23.566 -26.444 1.000 2 B 43.532 1 ATOM 601 O O . HIS 6 1126 ? B 5.663 24.499 -26.143 1.000 2 B 43.532 1 ATOM 602 C CB . HIS 6 1126 ? B 4.551 23.658 -28.919 1.000 2 B 43.532 1 ATOM 603 C CG . HIS 6 1126 ? B 3.679 23.076 -29.985 1.000 2 B 43.532 1 ATOM 604 N ND1 . HIS 6 1126 ? B 3.310 21.748 -30.002 1.000 2 B 43.532 1 ATOM 605 C CD2 . HIS 6 1126 ? B 3.101 23.644 -31.070 1.000 2 B 43.532 1 ATOM 606 C CE1 . HIS 6 1126 ? B 2.541 21.524 -31.055 1.000 2 B 43.532 1 ATOM 607 N NE2 . HIS 6 1126 ? B 2.399 22.658 -31.719 1.000 2 B 43.532 1 ATOM 608 N N . SER 7 1127 ? B 4.676 22.933 -25.317 1.000 2 B 38.754 1 ATOM 609 C CA . SER 7 1127 ? B 5.290 21.878 -24.519 1.000 2 B 38.754 1 ATOM 610 C C . SER 7 1127 ? B 6.768 21.715 -24.861 1.000 2 B 38.754 1 ATOM 611 O O . SER 7 1127 ? B 7.115 21.393 -25.999 1.000 2 B 38.754 1 ATOM 612 C CB . SER 7 1127 ? B 4.561 20.551 -24.731 1.000 2 B 38.754 1 ATOM 613 O OG . SER 7 1127 ? B 5.393 19.621 -25.402 1.000 2 B 38.754 1 ATOM 614 N N . PRO 8 1128 ? B 7.778 22.180 -24.098 1.000 2 B 46.172 1 ATOM 615 C CA . PRO 8 1128 ? B 9.147 21.707 -24.315 1.000 2 B 46.172 1 ATOM 616 C C . PRO 8 1128 ? B 9.550 20.600 -23.343 1.000 2 B 46.172 1 ATOM 617 O O . PRO 8 1128 ? B 9.192 20.649 -22.164 1.000 2 B 46.172 1 ATOM 618 C CB . PRO 8 1128 ? B 9.994 22.963 -24.094 1.000 2 B 46.172 1 ATOM 619 C CG . PRO 8 1128 ? B 9.092 23.908 -23.367 1.000 2 B 46.172 1 ATOM 620 C CD . PRO 8 1128 ? B 7.781 23.220 -23.118 1.000 2 B 46.172 1 ATOM 621 N N . THR 9 1129 ? B 9.393 19.263 -23.636 1.000 2 B 36.792 1 ATOM 622 C CA . THR 9 1129 ? B 10.404 18.212 -23.614 1.000 2 B 36.792 1 ATOM 623 C C . THR 9 1129 ? B 11.655 18.680 -22.876 1.000 2 B 36.792 1 ATOM 624 O O . THR 9 1129 ? B 12.224 19.722 -23.207 1.000 2 B 36.792 1 ATOM 625 C CB . THR 9 1129 ? B 10.780 17.770 -25.040 1.000 2 B 36.792 1 ATOM 626 O OG1 . THR 9 1129 ? B 10.211 18.686 -25.984 1.000 2 B 36.792 1 ATOM 627 C CG2 . THR 9 1129 ? B 10.262 16.366 -25.336 1.000 2 B 36.792 1 ATOM 628 N N . LEU 10 1130 ? B 11.693 18.854 -21.572 1.000 2 B 43.909 1 ATOM 629 C CA . LEU 10 1130 ? B 12.796 18.971 -20.624 1.000 2 B 43.909 1 ATOM 630 C C . LEU 10 1130 ? B 13.883 17.946 -20.925 1.000 2 B 43.909 1 ATOM 631 O O . LEU 10 1130 ? B 13.636 16.739 -20.873 1.000 2 B 43.909 1 ATOM 632 C CB . LEU 10 1130 ? B 12.291 18.790 -19.189 1.000 2 B 43.909 1 ATOM 633 C CG . LEU 10 1130 ? B 11.389 19.898 -18.644 1.000 2 B 43.909 1 ATOM 634 C CD1 . LEU 10 1130 ? B 10.920 19.553 -17.234 1.000 2 B 43.909 1 ATOM 635 C CD2 . LEU 10 1130 ? B 12.118 21.238 -18.658 1.000 2 B 43.909 1 ATOM 636 N N . ARG 11 1131 ? B 14.622 17.978 -22.034 1.000 2 B 40.854 1 ATOM 637 C CA . ARG 11 1131 ? B 16.019 17.867 -22.441 1.000 2 B 40.854 1 ATOM 638 C C . ARG 11 1131 ? B 16.914 17.555 -21.246 1.000 2 B 40.854 1 ATOM 639 O O . ARG 11 1131 ? B 16.817 18.207 -20.204 1.000 2 B 40.854 1 ATOM 640 C CB . ARG 11 1131 ? B 16.485 19.155 -23.123 1.000 2 B 40.854 1 ATOM 641 C CG . ARG 11 1131 ? B 15.924 19.349 -24.522 1.000 2 B 40.854 1 ATOM 642 C CD . ARG 11 1131 ? B 17.026 19.596 -25.543 1.000 2 B 40.854 1 ATOM 643 N NE . ARG 11 1131 ? B 16.496 19.675 -26.901 1.000 2 B 40.854 1 ATOM 644 C CZ . ARG 11 1131 ? B 16.710 20.683 -27.741 1.000 2 B 40.854 1 ATOM 645 N NH1 . ARG 11 1131 ? B 17.452 21.723 -27.377 1.000 2 B 40.854 1 ATOM 646 N NH2 . ARG 11 1131 ? B 16.179 20.653 -28.954 1.000 2 B 40.854 1 ATOM 647 N N . VAL 12 1132 ? B 17.134 16.295 -20.865 1.000 2 B 37.392 1 ATOM 648 C CA . VAL 12 1132 ? B 18.250 15.529 -20.320 1.000 2 B 37.392 1 ATOM 649 C C . VAL 12 1132 ? B 19.571 16.157 -20.757 1.000 2 B 37.392 1 ATOM 650 O O . VAL 12 1132 ? B 19.873 16.215 -21.951 1.000 2 B 37.392 1 ATOM 651 C CB . VAL 12 1132 ? B 18.192 14.049 -20.762 1.000 2 B 37.392 1 ATOM 652 C CG1 . VAL 12 1132 ? B 17.099 13.301 -20.001 1.000 2 B 37.392 1 ATOM 653 C CG2 . VAL 12 1132 ? B 17.961 13.951 -22.268 1.000 2 B 37.392 1 ATOM 654 N N . ASP 13 1133 ? B 19.865 17.369 -20.337 1.000 2 B 40.295 1 ATOM 655 C CA . ASP 13 1133 ? B 21.140 18.072 -20.442 1.000 2 B 40.295 1 ATOM 656 C C . ASP 13 1133 ? B 22.244 17.322 -19.700 1.000 2 B 40.295 1 ATOM 657 O O . ASP 13 1133 ? B 22.120 17.048 -18.505 1.000 2 B 40.295 1 ATOM 658 C CB . ASP 13 1133 ? B 21.013 19.496 -19.898 1.000 2 B 40.295 1 ATOM 659 C CG . ASP 13 1133 ? B 22.086 20.432 -20.428 1.000 2 B 40.295 1 ATOM 660 O OD1 . ASP 13 1133 ? B 23.075 20.694 -19.711 1.000 2 B 40.295 1 ATOM 661 O OD2 . ASP 13 1133 ? B 21.939 20.913 -21.572 1.000 2 B 40.295 1 ATOM 662 N N . ARG 14 1134 ? B 22.830 16.219 -20.261 1.000 2 B 38.991 1 ATOM 663 C CA . ARG 14 1134 ? B 24.196 15.735 -20.431 1.000 2 B 38.991 1 ATOM 664 C C . ARG 14 1134 ? B 25.179 16.896 -20.547 1.000 2 B 38.991 1 ATOM 665 O O . ARG 14 1134 ? B 25.128 17.665 -21.509 1.000 2 B 38.991 1 ATOM 666 C CB . ARG 14 1134 ? B 24.299 14.837 -21.665 1.000 2 B 38.991 1 ATOM 667 C CG . ARG 14 1134 ? B 24.634 13.388 -21.347 1.000 2 B 38.991 1 ATOM 668 C CD . ARG 14 1134 ? B 24.587 12.512 -22.591 1.000 2 B 38.991 1 ATOM 669 N NE . ARG 14 1134 ? B 25.647 11.508 -22.584 1.000 2 B 38.991 1 ATOM 670 C CZ . ARG 14 1134 ? B 25.791 10.551 -23.496 1.000 2 B 38.991 1 ATOM 671 N NH1 . ARG 14 1134 ? B 24.940 10.447 -24.511 1.000 2 B 38.991 1 ATOM 672 N NH2 . ARG 14 1134 ? B 26.792 9.689 -23.394 1.000 2 B 38.991 1 ATOM 673 N N . LYS 15 1135 ? B 25.533 17.617 -19.452 1.000 2 B 49.386 1 ATOM 674 C CA . LYS 15 1135 ? B 26.740 18.432 -19.554 1.000 2 B 49.386 1 ATOM 675 C C . LYS 15 1135 ? B 27.603 18.295 -18.303 1.000 2 B 49.386 1 ATOM 676 O O . LYS 15 1135 ? B 27.113 18.451 -17.183 1.000 2 B 49.386 1 ATOM 677 C CB . LYS 15 1135 ? B 26.379 19.901 -19.782 1.000 2 B 49.386 1 ATOM 678 C CG . LYS 15 1135 ? B 26.078 20.246 -21.233 1.000 2 B 49.386 1 ATOM 679 C CD . LYS 15 1135 ? B 27.338 20.658 -21.983 1.000 2 B 49.386 1 ATOM 680 C CE . LYS 15 1135 ? B 27.507 19.865 -23.272 1.000 2 B 49.386 1 ATOM 681 N NZ . LYS 15 1135 ? B 28.733 20.278 -24.019 1.000 2 B 49.386 1 ATOM 682 N N . ARG 16 1136 ? B 28.504 17.303 -18.221 1.000 2 B 39.031 1 ATOM 683 C CA . ARG 16 1136 ? B 29.935 17.237 -17.945 1.000 2 B 39.031 1 ATOM 684 C C . ARG 16 1136 ? B 30.457 18.576 -17.434 1.000 2 B 39.031 1 ATOM 685 O O . ARG 16 1136 ? B 30.257 19.610 -18.074 1.000 2 B 39.031 1 ATOM 686 C CB . ARG 16 1136 ? B 30.706 16.817 -19.198 1.000 2 B 39.031 1 ATOM 687 C CG . ARG 16 1136 ? B 31.304 15.422 -19.115 1.000 2 B 39.031 1 ATOM 688 C CD . ARG 16 1136 ? B 32.178 15.110 -20.322 1.000 2 B 39.031 1 ATOM 689 N NE . ARG 16 1136 ? B 31.478 14.275 -21.293 1.000 2 B 39.031 1 ATOM 690 C CZ . ARG 16 1136 ? B 31.855 14.105 -22.558 1.000 2 B 39.031 1 ATOM 691 N NH1 . ARG 16 1136 ? B 32.937 14.712 -23.030 1.000 2 B 39.031 1 ATOM 692 N NH2 . ARG 16 1136 ? B 31.145 13.321 -23.356 1.000 2 B 39.031 1 ATOM 693 N N . LYS 17 1137 ? B 30.620 18.817 -16.119 1.000 2 B 48.809 1 ATOM 694 C CA . LYS 17 1137 ? B 31.662 19.702 -15.605 1.000 2 B 48.809 1 ATOM 695 C C . LYS 17 1137 ? B 32.272 19.145 -14.322 1.000 2 B 48.809 1 ATOM 696 O O . LYS 17 1137 ? B 31.548 18.756 -13.403 1.000 2 B 48.809 1 ATOM 697 C CB . LYS 17 1137 ? B 31.102 21.103 -15.355 1.000 2 B 48.809 1 ATOM 698 C CG . LYS 17 1137 ? B 30.440 21.732 -16.572 1.000 2 B 48.809 1 ATOM 699 C CD . LYS 17 1137 ? B 31.472 22.187 -17.597 1.000 2 B 48.809 1 ATOM 700 C CE . LYS 17 1137 ? B 30.812 22.631 -18.895 1.000 2 B 48.809 1 ATOM 701 N NZ . LYS 17 1137 ? B 31.822 22.921 -19.958 1.000 2 B 48.809 1 ATOM 702 N N . VAL 18 1138 ? B 33.284 18.355 -14.320 1.000 2 B 35.451 1 ATOM 703 C CA . VAL 18 1138 ? B 34.638 18.246 -13.790 1.000 2 B 35.451 1 ATOM 704 C C . VAL 18 1138 ? B 35.138 19.623 -13.359 1.000 2 B 35.451 1 ATOM 705 O O . VAL 18 1138 ? B 35.030 20.593 -14.113 1.000 2 B 35.451 1 ATOM 706 C CB . VAL 18 1138 ? B 35.605 17.628 -14.825 1.000 2 B 35.451 1 ATOM 707 C CG1 . VAL 18 1138 ? B 36.800 18.549 -15.065 1.000 2 B 35.451 1 ATOM 708 C CG2 . VAL 18 1138 ? B 36.073 16.250 -14.361 1.000 2 B 35.451 1 ATOM 709 N N . SER 19 1139 ? B 35.143 20.016 -12.050 1.000 2 B 40.547 1 ATOM 710 C CA . SER 19 1139 ? B 36.218 20.845 -11.513 1.000 2 B 40.547 1 ATOM 711 C C . SER 19 1139 ? B 35.907 21.300 -10.091 1.000 2 B 40.547 1 ATOM 712 O O . SER 19 1139 ? B 34.802 21.770 -9.811 1.000 2 B 40.547 1 ATOM 713 C CB . SER 19 1139 ? B 36.453 22.063 -12.407 1.000 2 B 40.547 1 ATOM 714 O OG . SER 19 1139 ? B 37.167 21.698 -13.576 1.000 2 B 40.547 1 ATOM 715 N N . GLY 20 1140 ? B 36.547 20.673 -9.067 1.000 2 B 36.376 1 ATOM 716 C CA . GLY 20 1140 ? B 37.588 21.289 -8.258 1.000 2 B 36.376 1 ATOM 717 C C . GLY 20 1140 ? B 37.218 21.396 -6.791 1.000 2 B 36.376 1 ATOM 718 O O . GLY 20 1140 ? B 36.105 21.803 -6.453 1.000 2 B 36.376 1 ATOM 719 N N . ASP 21 1141 ? B 37.761 20.537 -5.898 1.000 2 B 32.565 1 ATOM 720 C CA . ASP 21 1141 ? B 38.759 20.534 -4.833 1.000 2 B 32.565 1 ATOM 721 C C . ASP 21 1141 ? B 38.811 21.887 -4.126 1.000 2 B 32.565 1 ATOM 722 O O . ASP 21 1141 ? B 38.861 22.932 -4.777 1.000 2 B 32.565 1 ATOM 723 C CB . ASP 21 1141 ? B 40.138 20.178 -5.390 1.000 2 B 32.565 1 ATOM 724 C CG . ASP 21 1141 ? B 41.181 19.972 -4.306 1.000 2 B 32.565 1 ATOM 725 O OD1 . ASP 21 1141 ? B 40.977 19.115 -3.419 1.000 2 B 32.565 1 ATOM 726 O OD2 . ASP 21 1141 ? B 42.215 20.674 -4.337 1.000 2 B 32.565 1 ATOM 727 N N . SER 22 1142 ? B 38.444 22.045 -2.816 1.000 2 B 36.126 1 ATOM 728 C CA . SER 22 1142 ? B 39.245 22.737 -1.811 1.000 2 B 36.126 1 ATOM 729 C C . SER 22 1142 ? B 38.430 23.019 -0.554 1.000 2 B 36.126 1 ATOM 730 O O . SER 22 1142 ? B 37.314 23.536 -0.634 1.000 2 B 36.126 1 ATOM 731 C CB . SER 22 1142 ? B 39.799 24.046 -2.375 1.000 2 B 36.126 1 ATOM 732 O OG . SER 22 1142 ? B 40.269 24.883 -1.332 1.000 2 B 36.126 1 ATOM 733 N N . SER 23 1143 ? B 38.507 22.217 0.559 1.000 2 B 31.615 1 ATOM 734 C CA . SER 23 1143 ? B 38.978 22.338 1.934 1.000 2 B 31.615 1 ATOM 735 C C . SER 23 1143 ? B 38.994 23.795 2.387 1.000 2 B 31.615 1 ATOM 736 O O . SER 23 1143 ? B 39.440 24.675 1.647 1.000 2 B 31.615 1 ATOM 737 C CB . SER 23 1143 ? B 40.376 21.736 2.078 1.000 2 B 31.615 1 ATOM 738 O OG . SER 23 1143 ? B 41.233 22.202 1.050 1.000 2 B 31.615 1 ATOM 739 N N . HIS 24 1144 ? B 38.159 24.262 3.405 1.000 2 B 30.793 1 ATOM 740 C CA . HIS 24 1144 ? B 38.591 24.921 4.633 1.000 2 B 30.793 1 ATOM 741 C C . HIS 24 1144 ? B 38.054 26.347 4.711 1.000 2 B 30.793 1 ATOM 742 O O . HIS 24 1144 ? B 38.185 27.117 3.758 1.000 2 B 30.793 1 ATOM 743 C CB . HIS 24 1144 ? B 40.118 24.930 4.727 1.000 2 B 30.793 1 ATOM 744 C CG . HIS 24 1144 ? B 40.641 24.401 6.024 1.000 2 B 30.793 1 ATOM 745 N ND1 . HIS 24 1144 ? B 40.542 25.101 7.207 1.000 2 B 30.793 1 ATOM 746 C CD2 . HIS 24 1144 ? B 41.267 23.238 6.323 1.000 2 B 30.793 1 ATOM 747 C CE1 . HIS 24 1144 ? B 41.087 24.389 8.180 1.000 2 B 30.793 1 ATOM 748 N NE2 . HIS 24 1144 ? B 41.534 23.254 7.669 1.000 2 B 30.793 1 ATOM 749 N N . THR 25 1145 ? B 37.033 26.705 5.590 1.000 2 B 35.045 1 ATOM 750 C CA . THR 25 1145 ? B 37.208 27.810 6.525 1.000 2 B 35.045 1 ATOM 751 C C . THR 25 1145 ? B 35.865 28.244 7.107 1.000 2 B 35.045 1 ATOM 752 O O . THR 25 1145 ? B 34.913 28.494 6.366 1.000 2 B 35.045 1 ATOM 753 C CB . THR 25 1145 ? B 37.889 29.013 5.847 1.000 2 B 35.045 1 ATOM 754 O OG1 . THR 25 1145 ? B 37.389 29.147 4.511 1.000 2 B 35.045 1 ATOM 755 C CG2 . THR 25 1145 ? B 39.402 28.832 5.796 1.000 2 B 35.045 1 ATOM 756 N N . GLU 26 1146 ? B 35.415 27.787 8.273 1.000 2 B 29.948 1 ATOM 757 C CA . GLU 26 1146 ? B 34.996 28.379 9.539 1.000 2 B 29.948 1 ATOM 758 C C . GLU 26 1146 ? B 35.562 29.787 9.704 1.000 2 B 29.948 1 ATOM 759 O O . GLU 26 1146 ? B 36.771 29.993 9.578 1.000 2 B 29.948 1 ATOM 760 C CB . GLU 26 1146 ? B 35.426 27.498 10.714 1.000 2 B 29.948 1 ATOM 761 C CG . GLU 26 1146 ? B 34.555 26.265 10.910 1.000 2 B 29.948 1 ATOM 762 C CD . GLU 26 1146 ? B 34.833 25.535 12.214 1.000 2 B 29.948 1 ATOM 763 O OE1 . GLU 26 1146 ? B 34.037 25.675 13.170 1.000 2 B 29.948 1 ATOM 764 O OE2 . GLU 26 1146 ? B 35.856 24.817 12.281 1.000 2 B 29.948 1 ATOM 765 N N . THR 27 1147 ? B 34.803 30.959 9.454 1.000 2 B 37.815 1 ATOM 766 C CA . THR 27 1147 ? B 34.944 32.305 9.996 1.000 2 B 37.815 1 ATOM 767 C C . THR 27 1147 ? B 33.578 32.956 10.191 1.000 2 B 37.815 1 ATOM 768 O O . THR 27 1147 ? B 32.759 32.980 9.270 1.000 2 B 37.815 1 ATOM 769 C CB . THR 27 1147 ? B 35.810 33.189 9.079 1.000 2 B 37.815 1 ATOM 770 O OG1 . THR 27 1147 ? B 35.941 32.556 7.800 1.000 2 B 37.815 1 ATOM 771 C CG2 . THR 27 1147 ? B 37.199 33.402 9.672 1.000 2 B 37.815 1 ATOM 772 N N . THR 28 1148 ? B 32.912 32.959 11.393 1.000 2 B 31.822 1 ATOM 773 C CA . THR 28 1148 ? B 32.665 33.928 12.455 1.000 2 B 31.822 1 ATOM 774 C C . THR 28 1148 ? B 32.654 35.349 11.898 1.000 2 B 31.822 1 ATOM 775 O O . THR 28 1148 ? B 33.561 35.740 11.162 1.000 2 B 31.822 1 ATOM 776 C CB . THR 28 1148 ? B 33.722 33.819 13.569 1.000 2 B 31.822 1 ATOM 777 O OG1 . THR 28 1148 ? B 33.069 33.538 14.813 1.000 2 B 31.822 1 ATOM 778 C CG2 . THR 28 1148 ? B 34.515 35.114 13.705 1.000 2 B 31.822 1 ATOM 779 N N . ALA 29 1149 ? B 31.479 36.073 11.805 1.000 2 B 35.981 1 ATOM 780 C CA . ALA 29 1149 ? B 31.194 37.361 12.432 1.000 2 B 35.981 1 ATOM 781 C C . ALA 29 1149 ? B 30.989 38.449 11.382 1.000 2 B 35.981 1 ATOM 782 O O . ALA 29 1149 ? B 31.855 38.671 10.532 1.000 2 B 35.981 1 ATOM 783 C CB . ALA 29 1149 ? B 32.322 37.750 13.384 1.000 2 B 35.981 1 ATOM 784 N N . GLU 30 1150 ? B 29.738 38.924 11.138 1.000 2 B 42.113 1 ATOM 785 C CA . GLU 30 1150 ? B 29.511 40.364 11.068 1.000 2 B 42.113 1 ATOM 786 C C . GLU 30 1150 ? B 28.135 40.678 10.488 1.000 2 B 42.113 1 ATOM 787 O O . GLU 30 1150 ? B 27.794 40.213 9.398 1.000 2 B 42.113 1 ATOM 788 C CB . GLU 30 1150 ? B 30.601 41.041 10.233 1.000 2 B 42.113 1 ATOM 789 C CG . GLU 30 1150 ? B 30.949 42.447 10.699 1.000 2 B 42.113 1 ATOM 790 C CD . GLU 30 1150 ? B 31.114 43.435 9.556 1.000 2 B 42.113 1 ATOM 791 O OE1 . GLU 30 1150 ? B 30.162 44.196 9.268 1.000 2 B 42.113 1 ATOM 792 O OE2 . GLU 30 1150 ? B 32.204 43.448 8.941 1.000 2 B 42.113 1 ATOM 793 N N . GLU 31 1151 ? B 27.068 41.005 11.250 1.000 2 B 31.046 1 ATOM 794 C CA . GLU 31 1151 ? B 26.408 42.259 11.599 1.000 2 B 31.046 1 ATOM 795 C C . GLU 31 1151 ? B 26.447 43.246 10.435 1.000 2 B 31.046 1 ATOM 796 O O . GLU 31 1151 ? B 27.524 43.596 9.948 1.000 2 B 31.046 1 ATOM 797 C CB . GLU 31 1151 ? B 27.056 42.882 12.838 1.000 2 B 31.046 1 ATOM 798 C CG . GLU 31 1151 ? B 26.294 44.075 13.397 1.000 2 B 31.046 1 ATOM 799 C CD . GLU 31 1151 ? B 26.927 44.657 14.651 1.000 2 B 31.046 1 ATOM 800 O OE1 . GLU 31 1151 ? B 27.125 45.891 14.714 1.000 2 B 31.046 1 ATOM 801 O OE2 . GLU 31 1151 ? B 27.228 43.871 15.578 1.000 2 B 31.046 1 ATOM 802 N N . VAL 32 1152 ? B 25.263 43.476 9.691 1.000 2 B 47.706 1 ATOM 803 C CA . VAL 32 1152 ? B 24.653 44.788 9.499 1.000 2 B 47.706 1 ATOM 804 C C . VAL 32 1152 ? B 23.746 44.761 8.271 1.000 2 B 47.706 1 ATOM 805 O O . VAL 32 1152 ? B 24.088 44.157 7.251 1.000 2 B 47.706 1 ATOM 806 C CB . VAL 32 1152 ? B 25.722 45.894 9.348 1.000 2 B 47.706 1 ATOM 807 C CG1 . VAL 32 1152 ? B 25.151 47.098 8.602 1.000 2 B 47.706 1 ATOM 808 C CG2 . VAL 32 1152 ? B 26.252 46.312 10.718 1.000 2 B 47.706 1 ATOM 809 N N . PRO 33 1153 ? B 22.662 45.629 8.129 1.000 2 B 45.544 1 ATOM 810 C CA . PRO 33 1153 ? B 21.260 45.892 8.462 1.000 2 B 45.544 1 ATOM 811 C C . PRO 33 1153 ? B 20.376 46.034 7.224 1.000 2 B 45.544 1 ATOM 812 O O . PRO 33 1153 ? B 20.883 46.260 6.122 1.000 2 B 45.544 1 ATOM 813 C CB . PRO 33 1153 ? B 21.322 47.207 9.242 1.000 2 B 45.544 1 ATOM 814 C CG . PRO 33 1153 ? B 22.431 47.978 8.602 1.000 2 B 45.544 1 ATOM 815 C CD . PRO 33 1153 ? B 23.095 47.100 7.581 1.000 2 B 45.544 1 ATOM 816 N N . GLU 34 1154 ? B 19.204 45.629 7.236 1.000 2 B 36.709 1 ATOM 817 C CA . GLU 34 1154 ? B 17.899 46.281 7.213 1.000 2 B 36.709 1 ATOM 818 C C . GLU 34 1154 ? B 17.647 46.965 5.872 1.000 2 B 36.709 1 ATOM 819 O O . GLU 34 1154 ? B 18.344 47.918 5.515 1.000 2 B 36.709 1 ATOM 820 C CB . GLU 34 1154 ? B 17.786 47.298 8.352 1.000 2 B 36.709 1 ATOM 821 C CG . GLU 34 1154 ? B 17.384 46.685 9.686 1.000 2 B 36.709 1 ATOM 822 C CD . GLU 34 1154 ? B 16.570 47.628 10.558 1.000 2 B 36.709 1 ATOM 823 O OE1 . GLU 34 1154 ? B 15.326 47.495 10.598 1.000 2 B 36.709 1 ATOM 824 O OE2 . GLU 34 1154 ? B 17.181 48.506 11.206 1.000 2 B 36.709 1 ATOM 825 N N . ASP 35 1155 ? B 17.108 46.295 4.945 1.000 2 B 41.445 1 ATOM 826 C CA . ASP 35 1155 ? B 16.277 46.856 3.884 1.000 2 B 41.445 1 ATOM 827 C C . ASP 35 1155 ? B 14.797 46.792 4.254 1.000 2 B 41.445 1 ATOM 828 O O . ASP 35 1155 ? B 14.239 45.704 4.416 1.000 2 B 41.445 1 ATOM 829 C CB . ASP 35 1155 ? B 16.523 46.122 2.564 1.000 2 B 41.445 1 ATOM 830 C CG . ASP 35 1155 ? B 15.969 46.863 1.361 1.000 2 B 41.445 1 ATOM 831 O OD1 . ASP 35 1155 ? B 15.743 48.090 1.451 1.000 2 B 41.445 1 ATOM 832 O OD2 . ASP 35 1155 ? B 15.753 46.215 0.314 1.000 2 B 41.445 1 ATOM 833 N N . PRO 36 1156 ? B 14.153 47.855 5.054 1.000 2 B 51.303 1 ATOM 834 C CA . PRO 36 1156 ? B 12.725 48.129 5.232 1.000 2 B 51.303 1 ATOM 835 C C . PRO 36 1156 ? B 12.074 48.707 3.977 1.000 2 B 51.303 1 ATOM 836 O O . PRO 36 1156 ? B 12.362 49.844 3.596 1.000 2 B 51.303 1 ATOM 837 C CB . PRO 36 1156 ? B 12.701 49.146 6.377 1.000 2 B 51.303 1 ATOM 838 C CG . PRO 36 1156 ? B 14.131 49.535 6.572 1.000 2 B 51.303 1 ATOM 839 C CD . PRO 36 1156 ? B 14.937 48.975 5.435 1.000 2 B 51.303 1 ATOM 840 N N . LEU 37 1157 ? B 11.794 47.910 2.905 1.000 2 B 46.784 1 ATOM 841 C CA . LEU 37 1157 ? B 10.831 48.497 1.979 1.000 2 B 46.784 1 ATOM 842 C C . LEU 37 1157 ? B 10.038 47.411 1.259 1.000 2 B 46.784 1 ATOM 843 O O . LEU 37 1157 ? B 9.624 47.596 0.113 1.000 2 B 46.784 1 ATOM 844 C CB . LEU 37 1157 ? B 11.543 49.387 0.958 1.000 2 B 46.784 1 ATOM 845 C CG . LEU 37 1157 ? B 11.070 50.840 0.878 1.000 2 B 46.784 1 ATOM 846 C CD1 . LEU 37 1157 ? B 11.542 51.618 2.102 1.000 2 B 46.784 1 ATOM 847 C CD2 . LEU 37 1157 ? B 11.569 51.495 -0.405 1.000 2 B 46.784 1 ATOM 848 N N . LEU 38 1158 ? B 9.564 46.378 1.918 1.000 2 B 47.488 1 ATOM 849 C CA . LEU 38 1158 ? B 8.451 45.804 1.170 1.000 2 B 47.488 1 ATOM 850 C C . LEU 38 1158 ? B 7.383 45.263 2.114 1.000 2 B 47.488 1 ATOM 851 O O . LEU 38 1158 ? B 7.563 44.203 2.720 1.000 2 B 47.488 1 ATOM 852 C CB . LEU 38 1158 ? B 8.946 44.688 0.246 1.000 2 B 47.488 1 ATOM 853 C CG . LEU 38 1158 ? B 10.262 44.948 -0.488 1.000 2 B 47.488 1 ATOM 854 C CD1 . LEU 38 1158 ? B 10.658 43.729 -1.314 1.000 2 B 47.488 1 ATOM 855 C CD2 . LEU 38 1158 ? B 10.146 46.185 -1.371 1.000 2 B 47.488 1 ATOM 856 N N . LYS 39 1159 ? B 6.986 46.104 3.131 1.000 2 B 43.391 1 ATOM 857 C CA . LYS 39 1159 ? B 5.696 46.200 3.809 1.000 2 B 43.391 1 ATOM 858 C C . LYS 39 1159 ? B 4.592 46.604 2.837 1.000 2 B 43.391 1 ATOM 859 O O . LYS 39 1159 ? B 4.451 47.782 2.503 1.000 2 B 43.391 1 ATOM 860 C CB . LYS 39 1159 ? B 5.770 47.202 4.963 1.000 2 B 43.391 1 ATOM 861 C CG . LYS 39 1159 ? B 6.642 46.746 6.124 1.000 2 B 43.391 1 ATOM 862 C CD . LYS 39 1159 ? B 5.801 46.294 7.311 1.000 2 B 43.391 1 ATOM 863 C CE . LYS 39 1159 ? B 6.653 46.096 8.558 1.000 2 B 43.391 1 ATOM 864 N NZ . LYS 39 1159 ? B 5.813 45.869 9.772 1.000 2 B 43.391 1 ATOM 865 N N . ALA 40 1160 ? B 4.201 45.826 1.733 1.000 2 B 47.959 1 ATOM 866 C CA . ALA 40 1160 ? B 2.881 46.057 1.153 1.000 2 B 47.959 1 ATOM 867 C C . ALA 40 1160 ? B 2.277 44.757 0.630 1.000 2 B 47.959 1 ATOM 868 O O . ALA 40 1160 ? B 2.874 44.082 -0.212 1.000 2 B 47.959 1 ATOM 869 C CB . ALA 40 1160 ? B 2.965 47.090 0.032 1.000 2 B 47.959 1 ATOM 870 N N . LYS 41 1161 ? B 1.771 43.819 1.493 1.000 2 B 42.653 1 ATOM 871 C CA . LYS 41 1161 ? B 0.558 43.120 1.079 1.000 2 B 42.653 1 ATOM 872 C C . LYS 41 1161 ? B 0.442 41.764 1.769 1.000 2 B 42.653 1 ATOM 873 O O . LYS 41 1161 ? B 1.356 40.941 1.689 1.000 2 B 42.653 1 ATOM 874 C CB . LYS 41 1161 ? B 0.535 42.939 -0.440 1.000 2 B 42.653 1 ATOM 875 C CG . LYS 41 1161 ? B -0.859 42.751 -1.020 1.000 2 B 42.653 1 ATOM 876 C CD . LYS 41 1161 ? B -1.136 43.745 -2.141 1.000 2 B 42.653 1 ATOM 877 C CE . LYS 41 1161 ? B -1.941 43.109 -3.266 1.000 2 B 42.653 1 ATOM 878 N NZ . LYS 41 1161 ? B -1.823 43.883 -4.538 1.000 2 B 42.653 1 ATOM 879 N N . ARG 42 1162 ? B 0.114 41.696 3.045 1.000 2 B 41.798 1 ATOM 880 C CA . ARG 42 1162 ? B -0.624 40.876 4.000 1.000 2 B 41.798 1 ATOM 881 C C . ARG 42 1162 ? B -1.437 39.802 3.285 1.000 2 B 41.798 1 ATOM 882 O O . ARG 42 1162 ? B -2.314 40.115 2.477 1.000 2 B 41.798 1 ATOM 883 C CB . ARG 42 1162 ? B -1.545 41.747 4.857 1.000 2 B 41.798 1 ATOM 884 C CG . ARG 42 1162 ? B -0.831 42.470 5.988 1.000 2 B 41.798 1 ATOM 885 C CD . ARG 42 1162 ? B -1.793 43.316 6.812 1.000 2 B 41.798 1 ATOM 886 N NE . ARG 42 1162 ? B -2.451 42.527 7.849 1.000 2 B 41.798 1 ATOM 887 C CZ . ARG 42 1162 ? B -3.412 42.979 8.650 1.000 2 B 41.798 1 ATOM 888 N NH1 . ARG 42 1162 ? B -3.848 44.229 8.547 1.000 2 B 41.798 1 ATOM 889 N NH2 . ARG 42 1162 ? B -3.942 42.175 9.560 1.000 2 B 41.798 1 ATOM 890 N N . ARG 43 1163 ? B -0.966 38.729 2.822 1.000 2 B 46.857 1 ATOM 891 C CA . ARG 43 1163 ? B -1.785 37.522 2.835 1.000 2 B 46.857 1 ATOM 892 C C . ARG 43 1163 ? B -0.975 36.315 3.296 1.000 2 B 46.857 1 ATOM 893 O O . ARG 43 1163 ? B 0.143 36.094 2.826 1.000 2 B 46.857 1 ATOM 894 C CB . ARG 43 1163 ? B -2.375 37.258 1.447 1.000 2 B 46.857 1 ATOM 895 C CG . ARG 43 1163 ? B -3.830 37.675 1.307 1.000 2 B 46.857 1 ATOM 896 C CD . ARG 43 1163 ? B -4.446 37.149 0.018 1.000 2 B 46.857 1 ATOM 897 N NE . ARG 43 1163 ? B -5.901 37.073 0.107 1.000 2 B 46.857 1 ATOM 898 C CZ . ARG 43 1163 ? B -6.625 36.004 -0.213 1.000 2 B 46.857 1 ATOM 899 N NH1 . ARG 43 1163 ? B -6.039 34.895 -0.653 1.000 2 B 46.857 1 ATOM 900 N NH2 . ARG 43 1163 ? B -7.944 36.042 -0.094 1.000 2 B 46.857 1 ATOM 901 N N . ARG 44 1164 ? B -0.753 36.170 4.611 1.000 2 B 43.579 1 ATOM 902 C CA . ARG 44 1164 ? B -0.735 35.016 5.504 1.000 2 B 43.579 1 ATOM 903 C C . ARG 44 1164 ? B -0.250 33.767 4.776 1.000 2 B 43.579 1 ATOM 904 O O . ARG 44 1164 ? B -0.950 33.234 3.913 1.000 2 B 43.579 1 ATOM 905 C CB . ARG 44 1164 ? B -2.126 34.772 6.095 1.000 2 B 43.579 1 ATOM 906 C CG . ARG 44 1164 ? B -2.505 35.745 7.200 1.000 2 B 43.579 1 ATOM 907 C CD . ARG 44 1164 ? B -3.669 35.226 8.033 1.000 2 B 43.579 1 ATOM 908 N NE . ARG 44 1164 ? B -4.289 36.292 8.816 1.000 2 B 43.579 1 ATOM 909 C CZ . ARG 44 1164 ? B -4.557 36.219 10.116 1.000 2 B 43.579 1 ATOM 910 N NH1 . ARG 44 1164 ? B -4.263 35.124 10.809 1.000 2 B 43.579 1 ATOM 911 N NH2 . ARG 44 1164 ? B -5.123 37.248 10.730 1.000 2 B 43.579 1 ATOM 912 N N . VAL 45 1165 ? B 0.901 33.760 4.093 1.000 2 B 47.874 1 ATOM 913 C CA . VAL 45 1165 ? B 1.504 32.471 3.769 1.000 2 B 47.874 1 ATOM 914 C C . VAL 45 1165 ? B 2.084 31.840 5.033 1.000 2 B 47.874 1 ATOM 915 O O . VAL 45 1165 ? B 2.942 32.431 5.692 1.000 2 B 47.874 1 ATOM 916 C CB . VAL 45 1165 ? B 2.602 32.613 2.692 1.000 2 B 47.874 1 ATOM 917 C CG1 . VAL 45 1165 ? B 2.934 31.255 2.076 1.000 2 B 47.874 1 ATOM 918 C CG2 . VAL 45 1165 ? B 2.165 33.600 1.611 1.000 2 B 47.874 1 ATOM 919 N N . SER 46 1166 ? B 1.289 31.733 6.148 1.000 2 B 43.722 1 ATOM 920 C CA . SER 46 1166 ? B 1.705 30.742 7.135 1.000 2 B 43.722 1 ATOM 921 C C . SER 46 1166 ? B 2.678 29.735 6.531 1.000 2 B 43.722 1 ATOM 922 O O . SER 46 1166 ? B 2.361 29.077 5.538 1.000 2 B 43.722 1 ATOM 923 C CB . SER 46 1166 ? B 0.490 30.010 7.706 1.000 2 B 43.722 1 ATOM 924 O OG . SER 46 1166 ? B -0.097 29.170 6.727 1.000 2 B 43.722 1 ATOM 925 N N . LYS 47 1167 ? B 3.692 30.113 6.014 1.000 2 B 46.596 1 ATOM 926 C CA . LYS 47 1167 ? B 4.949 29.411 6.258 1.000 2 B 46.596 1 ATOM 927 C C . LYS 47 1167 ? B 4.870 28.571 7.530 1.000 2 B 46.596 1 ATOM 928 O O . LYS 47 1167 ? B 4.806 29.112 8.635 1.000 2 B 46.596 1 ATOM 929 C CB . LYS 47 1167 ? B 6.108 30.403 6.357 1.000 2 B 46.596 1 ATOM 930 C CG . LYS 47 1167 ? B 7.483 29.763 6.232 1.000 2 B 46.596 1 ATOM 931 C CD . LYS 47 1167 ? B 8.539 30.783 5.825 1.000 2 B 46.596 1 ATOM 932 C CE . LYS 47 1167 ? B 9.946 30.215 5.957 1.000 2 B 46.596 1 ATOM 933 N NZ . LYS 47 1167 ? B 10.986 31.220 5.584 1.000 2 B 46.596 1 ATOM 934 N N . ASP 48 1168 ? B 3.616 27.990 7.806 1.000 2 B 42.159 1 ATOM 935 C CA . ASP 48 1168 ? B 3.569 26.839 8.702 1.000 2 B 42.159 1 ATOM 936 C C . ASP 48 1168 ? B 4.807 25.961 8.533 1.000 2 B 42.159 1 ATOM 937 O O . ASP 48 1168 ? B 5.079 25.466 7.437 1.000 2 B 42.159 1 ATOM 938 C CB . ASP 48 1168 ? B 2.303 26.016 8.454 1.000 2 B 42.159 1 ATOM 939 C CG . ASP 48 1168 ? B 1.760 25.369 9.716 1.000 2 B 42.159 1 ATOM 940 O OD1 . ASP 48 1168 ? B 2.123 24.210 10.012 1.000 2 B 42.159 1 ATOM 941 O OD2 . ASP 48 1168 ? B 0.959 26.023 10.419 1.000 2 B 42.159 1 ATOM 942 N N . ASP 49 1169 ? B 5.918 26.498 8.721 1.000 2 B 44.524 1 ATOM 943 C CA . ASP 49 1169 ? B 6.779 25.965 9.773 1.000 2 B 44.524 1 ATOM 944 C C . ASP 49 1169 ? B 6.401 24.526 10.115 1.000 2 B 44.524 1 ATOM 945 O O . ASP 49 1169 ? B 5.316 24.272 10.642 1.000 2 B 44.524 1 ATOM 946 C CB . ASP 49 1169 ? B 6.701 26.841 11.026 1.000 2 B 44.524 1 ATOM 947 C CG . ASP 49 1169 ? B 7.842 26.592 11.995 1.000 2 B 44.524 1 ATOM 948 O OD1 . ASP 49 1169 ? B 8.737 25.775 11.688 1.000 2 B 44.524 1 ATOM 949 O OD2 . ASP 49 1169 ? B 7.846 27.216 13.079 1.000 2 B 44.524 1 ATOM 950 N N . TRP 50 1170 ? B 6.375 23.604 9.057 1.000 2 B 39.746 1 ATOM 951 C CA . TRP 50 1170 ? B 6.590 22.202 9.396 1.000 2 B 39.746 1 ATOM 952 C C . TRP 50 1170 ? B 7.327 22.069 10.725 1.000 2 B 39.746 1 ATOM 953 O O . TRP 50 1170 ? B 8.269 22.817 10.997 1.000 2 B 39.746 1 ATOM 954 C CB . TRP 50 1170 ? B 7.378 21.495 8.289 1.000 2 B 39.746 1 ATOM 955 C CG . TRP 50 1170 ? B 8.621 22.220 7.869 1.000 2 B 39.746 1 ATOM 956 C CD1 . TRP 50 1170 ? B 8.811 22.932 6.717 1.000 2 B 39.746 1 ATOM 957 C CD2 . TRP 50 1170 ? B 9.851 22.298 8.596 1.000 2 B 39.746 1 ATOM 958 N NE1 . TRP 50 1170 ? B 10.085 23.449 6.685 1.000 2 B 39.746 1 ATOM 959 C CE2 . TRP 50 1170 ? B 10.744 23.076 7.825 1.000 2 B 39.746 1 ATOM 960 C CE3 . TRP 50 1170 ? B 10.285 21.787 9.827 1.000 2 B 39.746 1 ATOM 961 C CZ2 . TRP 50 1170 ? B 12.046 23.354 8.246 1.000 2 B 39.746 1 ATOM 962 C CZ3 . TRP 50 1170 ? B 11.582 22.065 10.243 1.000 2 B 39.746 1 ATOM 963 C CH2 . TRP 50 1170 ? B 12.446 22.842 9.453 1.000 2 B 39.746 1 ATOM 964 N N . PRO 51 1171 ? B 6.633 22.114 11.945 1.000 2 B 47.433 1 ATOM 965 C CA . PRO 51 1171 ? B 7.255 22.017 13.267 1.000 2 B 47.433 1 ATOM 966 C C . PRO 51 1171 ? B 8.684 21.483 13.209 1.000 2 B 47.433 1 ATOM 967 O O . PRO 51 1171 ? B 8.939 20.459 12.568 1.000 2 B 47.433 1 ATOM 968 C CB . PRO 51 1171 ? B 6.340 21.046 14.017 1.000 2 B 47.433 1 ATOM 969 C CG . PRO 51 1171 ? B 5.628 20.285 12.945 1.000 2 B 47.433 1 ATOM 970 C CD . PRO 51 1171 ? B 6.032 20.849 11.613 1.000 2 B 47.433 1 ATOM 971 N N . GLU 52 1172 ? B 9.603 22.210 12.715 1.000 2 B 48.916 1 ATOM 972 C CA . GLU 52 1172 ? B 10.828 22.267 13.506 1.000 2 B 48.916 1 ATOM 973 C C . GLU 52 1172 ? B 10.585 21.795 14.936 1.000 2 B 48.916 1 ATOM 974 O O . GLU 52 1172 ? B 11.433 21.984 15.811 1.000 2 B 48.916 1 ATOM 975 C CB . GLU 52 1172 ? B 11.399 23.688 13.511 1.000 2 B 48.916 1 ATOM 976 C CG . GLU 52 1172 ? B 12.916 23.741 13.395 1.000 2 B 48.916 1 ATOM 977 C CD . GLU 52 1172 ? B 13.495 25.105 13.736 1.000 2 B 48.916 1 ATOM 978 O OE1 . GLU 52 1172 ? B 14.452 25.174 14.540 1.000 2 B 48.916 1 ATOM 979 O OE2 . GLU 52 1172 ? B 12.988 26.112 13.194 1.000 2 B 48.916 1 ATOM 980 N N . ARG 53 1173 ? B 9.563 20.914 15.248 1.000 2 B 52.213 1 ATOM 981 C CA . ARG 53 1173 ? B 9.469 20.368 16.598 1.000 2 B 52.213 1 ATOM 982 C C . ARG 53 1173 ? B 10.008 18.942 16.651 1.000 2 B 52.213 1 ATOM 983 O O . ARG 53 1173 ? B 9.634 18.101 15.830 1.000 2 B 52.213 1 ATOM 984 C CB . ARG 53 1173 ? B 8.022 20.400 17.092 1.000 2 B 52.213 1 ATOM 985 C CG . ARG 53 1173 ? B 7.800 21.309 18.290 1.000 2 B 52.213 1 ATOM 986 C CD . ARG 53 1173 ? B 6.407 21.135 18.880 1.000 2 B 52.213 1 ATOM 987 N NE . ARG 53 1173 ? B 5.418 21.944 18.174 1.000 2 B 52.213 1 ATOM 988 C CZ . ARG 53 1173 ? B 4.109 21.917 18.410 1.000 2 B 52.213 1 ATOM 989 N NH1 . ARG 53 1173 ? B 3.604 21.118 19.343 1.000 2 B 52.213 1 ATOM 990 N NH2 . ARG 53 1173 ? B 3.298 22.695 17.707 1.000 2 B 52.213 1 ATOM 991 N N . GLU 54 1174 ? B 11.322 18.741 16.346 1.000 2 B 45.153 1 ATOM 992 C CA . GLU 54 1174 ? B 12.178 17.827 17.097 1.000 2 B 45.153 1 ATOM 993 C C . GLU 54 1174 ? B 12.686 16.693 16.211 1.000 2 B 45.153 1 ATOM 994 O O . GLU 54 1174 ? B 11.893 15.949 15.629 1.000 2 B 45.153 1 ATOM 995 C CB . GLU 54 1174 ? B 11.427 17.255 18.303 1.000 2 B 45.153 1 ATOM 996 C CG . GLU 54 1174 ? B 12.307 17.027 19.523 1.000 2 B 45.153 1 ATOM 997 C CD . GLU 54 1174 ? B 12.065 18.036 20.635 1.000 2 B 45.153 1 ATOM 998 O OE1 . GLU 54 1174 ? B 12.947 18.202 21.507 1.000 2 B 45.153 1 ATOM 999 O OE2 . GLU 54 1174 ? B 10.983 18.665 20.634 1.000 2 B 45.153 1 ATOM 1000 N N . MET 55 1175 ? B 13.513 16.978 15.260 1.000 2 B 46.634 1 ATOM 1001 C CA . MET 55 1175 ? B 14.656 16.137 14.915 1.000 2 B 46.634 1 ATOM 1002 C C . MET 55 1175 ? B 15.264 15.506 16.164 1.000 2 B 46.634 1 ATOM 1003 O O . MET 55 1175 ? B 15.872 16.200 16.981 1.000 2 B 46.634 1 ATOM 1004 C CB . MET 55 1175 ? B 15.716 16.950 14.170 1.000 2 B 46.634 1 ATOM 1005 C CG . MET 55 1175 ? B 15.504 17.001 12.666 1.000 2 B 46.634 1 ATOM 1006 S SD . MET 55 1175 ? B 14.715 18.566 12.121 1.000 2 B 46.634 1 ATOM 1007 C CE . MET 55 1175 ? B 15.310 18.644 10.408 1.000 2 B 46.634 1 ATOM 1008 N N . THR 56 1176 ? B 14.377 15.119 17.133 1.000 2 B 45.197 1 ATOM 1009 C CA . THR 56 1176 ? B 15.202 14.462 18.140 1.000 2 B 45.197 1 ATOM 1010 C C . THR 56 1176 ? B 14.636 13.089 18.490 1.000 2 B 45.197 1 ATOM 1011 O O . THR 56 1176 ? B 13.533 12.985 19.032 1.000 2 B 45.197 1 ATOM 1012 C CB . THR 56 1176 ? B 15.310 15.316 19.417 1.000 2 B 45.197 1 ATOM 1013 O OG1 . THR 56 1176 ? B 14.039 15.917 19.693 1.000 2 B 45.197 1 ATOM 1014 C CG2 . THR 56 1176 ? B 16.355 16.415 19.256 1.000 2 B 45.197 1 ATOM 1015 N N . ASN 57 1177 ? B 14.444 12.159 17.538 1.000 2 B 41.390 1 ATOM 1016 C CA . ASN 57 1177 ? B 14.729 10.834 18.077 1.000 2 B 41.390 1 ATOM 1017 C C . ASN 57 1177 ? B 14.997 9.822 16.966 1.000 2 B 41.390 1 ATOM 1018 O O . ASN 57 1177 ? B 14.498 8.696 17.012 1.000 2 B 41.390 1 ATOM 1019 C CB . ASN 57 1177 ? B 13.578 10.356 18.964 1.000 2 B 41.390 1 ATOM 1020 C CG . ASN 57 1177 ? B 13.359 11.250 20.168 1.000 2 B 41.390 1 ATOM 1021 O OD1 . ASN 57 1177 ? B 14.260 11.981 20.587 1.000 2 B 41.390 1 ATOM 1022 N ND2 . ASN 57 1177 ? B 12.158 11.199 20.734 1.000 2 B 41.390 1 ATOM 1023 N N . SER 58 1178 ? B 15.961 10.023 16.038 1.000 2 B 43.596 1 ATOM 1024 C CA . SER 58 1178 ? B 16.488 8.688 15.775 1.000 2 B 43.596 1 ATOM 1025 C C . SER 58 1178 ? B 18.009 8.663 15.884 1.000 2 B 43.596 1 ATOM 1026 O O . SER 58 1178 ? B 18.701 8.325 14.921 1.000 2 B 43.596 1 ATOM 1027 C CB . SER 58 1178 ? B 16.061 8.206 14.388 1.000 2 B 43.596 1 ATOM 1028 O OG . SER 58 1178 ? B 14.671 8.400 14.194 1.000 2 B 43.596 1 ATOM 1029 N N . SER 59 1179 ? B 18.597 9.427 16.739 1.000 2 B 47.995 1 ATOM 1030 C CA . SER 59 1179 ? B 20.041 9.284 16.893 1.000 2 B 47.995 1 ATOM 1031 C C . SER 59 1179 ? B 20.393 8.631 18.225 1.000 2 B 47.995 1 ATOM 1032 O O . SER 59 1179 ? B 20.135 9.199 19.288 1.000 2 B 47.995 1 ATOM 1033 C CB . SER 59 1179 ? B 20.729 10.646 16.786 1.000 2 B 47.995 1 ATOM 1034 O OG . SER 59 1179 ? B 21.553 10.704 15.634 1.000 2 B 47.995 1 ATOM 1035 N N . SER 60 1180 ? B 19.898 7.442 18.575 1.000 2 B 47.612 1 ATOM 1036 C CA . SER 60 1180 ? B 20.649 6.846 19.675 1.000 2 B 47.612 1 ATOM 1037 C C . SER 60 1180 ? B 20.840 5.348 19.466 1.000 2 B 47.612 1 ATOM 1038 O O . SER 60 1180 ? B 19.870 4.617 19.253 1.000 2 B 47.612 1 ATOM 1039 C CB . SER 60 1180 ? B 19.942 7.098 21.007 1.000 2 B 47.612 1 ATOM 1040 O OG . SER 60 1180 ? B 20.684 6.550 22.083 1.000 2 B 47.612 1 ATOM 1041 N N . ASN 61 1181 ? B 21.810 4.866 18.648 1.000 2 B 41.310 1 ATOM 1042 C CA . ASN 61 1181 ? B 22.912 3.959 18.952 1.000 2 B 41.310 1 ATOM 1043 C C . ASN 61 1181 ? B 22.429 2.518 19.094 1.000 2 B 41.310 1 ATOM 1044 O O . ASN 61 1181 ? B 21.878 2.143 20.131 1.000 2 B 41.310 1 ATOM 1045 C CB . ASN 61 1181 ? B 23.637 4.404 20.224 1.000 2 B 41.310 1 ATOM 1046 C CG . ASN 61 1181 ? B 24.932 5.136 19.932 1.000 2 B 41.310 1 ATOM 1047 O OD1 . ASN 61 1181 ? B 25.613 4.848 18.945 1.000 2 B 41.310 1 ATOM 1048 N ND2 . ASN 61 1181 ? B 25.281 6.089 20.789 1.000 2 B 41.310 1 ATOM 1049 N N . HIS 62 1182 ? B 22.085 1.697 18.032 1.000 2 B 45.039 1 ATOM 1050 C CA . HIS 62 1182 ? B 22.413 0.300 18.292 1.000 2 B 45.039 1 ATOM 1051 C C . HIS 62 1182 ? B 23.185 -0.310 17.126 1.000 2 B 45.039 1 ATOM 1052 O O . HIS 62 1182 ? B 22.764 -0.201 15.972 1.000 2 B 45.039 1 ATOM 1053 C CB . HIS 62 1182 ? B 21.143 -0.509 18.560 1.000 2 B 45.039 1 ATOM 1054 C CG . HIS 62 1182 ? B 21.405 -1.935 18.926 1.000 2 B 45.039 1 ATOM 1055 N ND1 . HIS 62 1182 ? B 21.511 -2.937 17.985 1.000 2 B 45.039 1 ATOM 1056 C CD2 . HIS 62 1182 ? B 21.586 -2.525 20.131 1.000 2 B 45.039 1 ATOM 1057 C CE1 . HIS 62 1182 ? B 21.745 -4.085 18.598 1.000 2 B 45.039 1 ATOM 1058 N NE2 . HIS 62 1182 ? B 21.795 -3.863 19.900 1.000 2 B 45.039 1 ATOM 1059 N N . LEU 63 1183 ? B 24.451 0.196 16.768 1.000 2 B 51.084 1 ATOM 1060 C CA . LEU 63 1183 ? B 25.415 -0.769 16.251 1.000 2 B 51.084 1 ATOM 1061 C C . LEU 63 1183 ? B 24.755 -2.124 16.017 1.000 2 B 51.084 1 ATOM 1062 O O . LEU 63 1183 ? B 25.205 -3.139 16.553 1.000 2 B 51.084 1 ATOM 1063 C CB . LEU 63 1183 ? B 26.592 -0.922 17.218 1.000 2 B 51.084 1 ATOM 1064 C CG . LEU 63 1183 ? B 27.912 -1.396 16.608 1.000 2 B 51.084 1 ATOM 1065 C CD1 . LEU 63 1183 ? B 28.718 -0.206 16.099 1.000 2 B 51.084 1 ATOM 1066 C CD2 . LEU 63 1183 ? B 28.716 -2.195 17.628 1.000 2 B 51.084 1 ATOM 1067 N N . GLU 64 1184 ? B 23.433 -2.332 15.625 1.000 2 B 49.626 1 ATOM 1068 C CA . GLU 64 1184 ? B 23.169 -3.733 15.314 1.000 2 B 49.626 1 ATOM 1069 C C . GLU 64 1184 ? B 22.556 -3.884 13.924 1.000 2 B 49.626 1 ATOM 1070 O O . GLU 64 1184 ? B 21.735 -3.063 13.509 1.000 2 B 49.626 1 ATOM 1071 C CB . GLU 64 1184 ? B 22.245 -4.353 16.365 1.000 2 B 49.626 1 ATOM 1072 C CG . GLU 64 1184 ? B 22.882 -4.486 17.741 1.000 2 B 49.626 1 ATOM 1073 C CD . GLU 64 1184 ? B 23.036 -5.929 18.194 1.000 2 B 49.626 1 ATOM 1074 O OE1 . GLU 64 1184 ? B 24.174 -6.349 18.504 1.000 2 B 49.626 1 ATOM 1075 O OE2 . GLU 64 1184 ? B 22.011 -6.645 18.239 1.000 2 B 49.626 1 ATOM 1076 N N . ASP 65 1185 ? B 23.339 -3.773 12.905 1.000 2 B 54.092 1 ATOM 1077 C CA . ASP 65 1185 ? B 23.156 -4.551 11.683 1.000 2 B 54.092 1 ATOM 1078 C C . ASP 65 1185 ? B 22.618 -3.678 10.552 1.000 2 B 54.092 1 ATOM 1079 O O . ASP 65 1185 ? B 21.564 -3.054 10.689 1.000 2 B 54.092 1 ATOM 1080 C CB . ASP 65 1185 ? B 22.212 -5.729 11.933 1.000 2 B 54.092 1 ATOM 1081 C CG . ASP 65 1185 ? B 22.297 -6.796 10.855 1.000 2 B 54.092 1 ATOM 1082 O OD1 . ASP 65 1185 ? B 23.416 -7.114 10.398 1.000 2 B 54.092 1 ATOM 1083 O OD2 . ASP 65 1185 ? B 21.235 -7.321 10.458 1.000 2 B 54.092 1 ATOM 1084 N N . PRO 66 1186 ? B 23.517 -2.975 9.841 1.000 2 B 59.923 1 ATOM 1085 C CA . PRO 66 1186 ? B 23.128 -2.297 8.602 1.000 2 B 59.923 1 ATOM 1086 C C . PRO 66 1186 ? B 21.790 -2.788 8.055 1.000 2 B 59.923 1 ATOM 1087 O O . PRO 66 1186 ? B 21.077 -2.034 7.389 1.000 2 B 59.923 1 ATOM 1088 C CB . PRO 66 1186 ? B 24.269 -2.640 7.640 1.000 2 B 59.923 1 ATOM 1089 C CG . PRO 66 1186 ? B 25.421 -2.993 8.525 1.000 2 B 59.923 1 ATOM 1090 C CD . PRO 66 1186 ? B 24.886 -3.641 9.769 1.000 2 B 59.923 1 ATOM 1091 N N . HIS 67 1187 ? B 21.386 -3.900 8.567 1.000 2 B 55.572 1 ATOM 1092 C CA . HIS 67 1187 ? B 20.150 -4.464 8.038 1.000 2 B 55.572 1 ATOM 1093 C C . HIS 67 1187 ? B 18.929 -3.831 8.697 1.000 2 B 55.572 1 ATOM 1094 O O . HIS 67 1187 ? B 17.904 -3.621 8.044 1.000 2 B 55.572 1 ATOM 1095 C CB . HIS 67 1187 ? B 20.125 -5.981 8.236 1.000 2 B 55.572 1 ATOM 1096 C CG . HIS 67 1187 ? B 19.301 -6.705 7.219 1.000 2 B 55.572 1 ATOM 1097 N ND1 . HIS 67 1187 ? B 18.002 -7.099 7.459 1.000 2 B 55.572 1 ATOM 1098 C CD2 . HIS 67 1187 ? B 19.592 -7.103 5.959 1.000 2 B 55.572 1 ATOM 1099 C CE1 . HIS 67 1187 ? B 17.529 -7.711 6.385 1.000 2 B 55.572 1 ATOM 1100 N NE2 . HIS 67 1187 ? B 18.474 -7.727 5.461 1.000 2 B 55.572 1 ATOM 1101 N N . TYR 68 1188 ? B 19.151 -3.343 9.912 1.000 2 B 53.515 1 ATOM 1102 C CA . TYR 68 1188 ? B 18.033 -2.742 10.632 1.000 2 B 53.515 1 ATOM 1103 C C . TYR 68 1188 ? B 17.784 -1.315 10.159 1.000 2 B 53.515 1 ATOM 1104 O O . TYR 68 1188 ? B 16.635 -0.876 10.068 1.000 2 B 53.515 1 ATOM 1105 C CB . TYR 68 1188 ? B 18.296 -2.754 12.141 1.000 2 B 53.515 1 ATOM 1106 C CG . TYR 68 1188 ? B 17.509 -3.805 12.886 1.000 2 B 53.515 1 ATOM 1107 C CD1 . TYR 68 1188 ? B 16.253 -3.516 13.415 1.000 2 B 53.515 1 ATOM 1108 C CD2 . TYR 68 1188 ? B 18.018 -5.086 13.062 1.000 2 B 53.515 1 ATOM 1109 C CE1 . TYR 68 1188 ? B 15.524 -4.480 14.105 1.000 2 B 53.515 1 ATOM 1110 C CE2 . TYR 68 1188 ? B 17.299 -6.058 13.750 1.000 2 B 53.515 1 ATOM 1111 C CZ . TYR 68 1188 ? B 16.054 -5.746 14.266 1.000 2 B 53.515 1 ATOM 1112 O OH . TYR 68 1188 ? B 15.337 -6.704 14.947 1.000 2 B 53.515 1 ATOM 1113 N N . SER 69 1189 ? B 18.981 -0.598 9.843 1.000 2 B 60.008 1 ATOM 1114 C CA . SER 69 1189 ? B 18.837 0.767 9.347 1.000 2 B 60.008 1 ATOM 1115 C C . SER 69 1189 ? B 18.116 0.793 8.003 1.000 2 B 60.008 1 ATOM 1116 O O . SER 69 1189 ? B 17.321 1.697 7.737 1.000 2 B 60.008 1 ATOM 1117 C CB . SER 69 1189 ? B 20.206 1.436 9.213 1.000 2 B 60.008 1 ATOM 1118 O OG . SER 69 1189 ? B 21.023 0.731 8.294 1.000 2 B 60.008 1 ATOM 1119 N N . GLU 70 1190 ? B 18.367 -0.211 7.195 1.000 2 B 66.101 1 ATOM 1120 C CA . GLU 70 1190 ? B 17.716 -0.304 5.892 1.000 2 B 66.101 1 ATOM 1121 C C . GLU 70 1190 ? B 16.224 -0.591 6.039 1.000 2 B 66.101 1 ATOM 1122 O O . GLU 70 1190 ? B 15.417 -0.143 5.223 1.000 2 B 66.101 1 ATOM 1123 C CB . GLU 70 1190 ? B 18.377 -1.387 5.035 1.000 2 B 66.101 1 ATOM 1124 C CG . GLU 70 1190 ? B 19.801 -1.054 4.614 1.000 2 B 66.101 1 ATOM 1125 C CD . GLU 70 1190 ? B 20.576 -2.261 4.110 1.000 2 B 66.101 1 ATOM 1126 O OE1 . GLU 70 1190 ? B 21.802 -2.145 3.887 1.000 2 B 66.101 1 ATOM 1127 O OE2 . GLU 70 1190 ? B 19.951 -3.330 3.935 1.000 2 B 66.101 1 ATOM 1128 N N . LEU 71 1191 ? B 16.001 -1.221 7.159 1.000 2 B 66.127 1 ATOM 1129 C CA . LEU 71 1191 ? B 14.592 -1.534 7.374 1.000 2 B 66.127 1 ATOM 1130 C C . LEU 71 1191 ? B 13.816 -0.290 7.792 1.000 2 B 66.127 1 ATOM 1131 O O . LEU 71 1191 ? B 12.644 -0.137 7.440 1.000 2 B 66.127 1 ATOM 1132 C CB . LEU 71 1191 ? B 14.442 -2.624 8.439 1.000 2 B 66.127 1 ATOM 1133 C CG . LEU 71 1191 ? B 14.993 -4.005 8.078 1.000 2 B 66.127 1 ATOM 1134 C CD1 . LEU 71 1191 ? B 15.178 -4.847 9.336 1.000 2 B 66.127 1 ATOM 1135 C CD2 . LEU 71 1191 ? B 14.070 -4.707 7.088 1.000 2 B 66.127 1 ATOM 1136 N N . THR 72 1192 ? B 14.555 0.601 8.523 1.000 2 B 70.303 1 ATOM 1137 C CA . THR 72 1192 ? B 13.919 1.842 8.950 1.000 2 B 70.303 1 ATOM 1138 C C . THR 72 1192 ? B 13.677 2.764 7.758 1.000 2 B 70.303 1 ATOM 1139 O O . THR 72 1192 ? B 12.813 3.641 7.810 1.000 2 B 70.303 1 ATOM 1140 C CB . THR 72 1192 ? B 14.771 2.573 10.003 1.000 2 B 70.303 1 ATOM 1141 O OG1 . THR 72 1192 ? B 16.075 2.822 9.465 1.000 2 B 70.303 1 ATOM 1142 C CG2 . THR 72 1192 ? B 14.908 1.741 11.274 1.000 2 B 70.303 1 ATOM 1143 N N . ASN 73 1193 ? B 14.387 2.511 6.645 1.000 2 B 77.269 1 ATOM 1144 C CA . ASN 73 1193 ? B 14.261 3.332 5.446 1.000 2 B 77.269 1 ATOM 1145 C C . ASN 73 1193 ? B 13.074 2.896 4.591 1.000 2 B 77.269 1 ATOM 1146 O O . ASN 73 1193 ? B 12.678 3.604 3.664 1.000 2 B 77.269 1 ATOM 1147 C CB . ASN 73 1193 ? B 15.552 3.286 4.625 1.000 2 B 77.269 1 ATOM 1148 C CG . ASN 73 1193 ? B 16.642 4.166 5.203 1.000 2 B 77.269 1 ATOM 1149 O OD1 . ASN 73 1193 ? B 16.451 5.371 5.390 1.000 2 B 77.269 1 ATOM 1150 N ND2 . ASN 73 1193 ? B 17.794 3.572 5.490 1.000 2 B 77.269 1 ATOM 1151 N N . LEU 74 1194 ? B 12.521 1.831 4.943 1.000 2 B 87.776 1 ATOM 1152 C CA . LEU 74 1194 ? B 11.420 1.315 4.136 1.000 2 B 87.776 1 ATOM 1153 C C . LEU 74 1194 ? B 10.076 1.656 4.768 1.000 2 B 87.776 1 ATOM 1154 O O . LEU 74 1194 ? B 9.067 1.008 4.481 1.000 2 B 87.776 1 ATOM 1155 C CB . LEU 74 1194 ? B 11.546 -0.201 3.964 1.000 2 B 87.776 1 ATOM 1156 C CG . LEU 74 1194 ? B 12.772 -0.697 3.194 1.000 2 B 87.776 1 ATOM 1157 C CD1 . LEU 74 1194 ? B 12.821 -2.221 3.201 1.000 2 B 87.776 1 ATOM 1158 C CD2 . LEU 74 1194 ? B 12.758 -0.163 1.766 1.000 2 B 87.776 1 ATOM 1159 N N . LYS 75 1195 ? B 10.013 2.697 5.583 1.000 2 B 89.848 1 ATOM 1160 C CA . LYS 75 1195 ? B 8.775 3.208 6.164 1.000 2 B 89.848 1 ATOM 1161 C C . LYS 75 1195 ? B 8.109 4.221 5.236 1.000 2 B 89.848 1 ATOM 1162 O O . LYS 75 1195 ? B 8.761 5.148 4.751 1.000 2 B 89.848 1 ATOM 1163 C CB . LYS 75 1195 ? B 9.045 3.846 7.528 1.000 2 B 89.848 1 ATOM 1164 C CG . LYS 75 1195 ? B 7.793 4.087 8.358 1.000 2 B 89.848 1 ATOM 1165 C CD . LYS 75 1195 ? B 8.137 4.446 9.797 1.000 2 B 89.848 1 ATOM 1166 C CE . LYS 75 1195 ? B 8.270 5.951 9.983 1.000 2 B 89.848 1 ATOM 1167 N NZ . LYS 75 1195 ? B 8.352 6.327 11.426 1.000 2 B 89.848 1 ATOM 1168 N N . VAL 76 1196 ? B 6.887 3.925 4.906 1.000 2 B 89.503 1 ATOM 1169 C CA . VAL 76 1196 ? B 6.109 4.805 4.040 1.000 2 B 89.503 1 ATOM 1170 C C . VAL 76 1196 ? B 4.970 5.439 4.836 1.000 2 B 89.503 1 ATOM 1171 O O . VAL 76 1196 ? B 4.365 4.789 5.691 1.000 2 B 89.503 1 ATOM 1172 C CB . VAL 76 1196 ? B 5.546 4.045 2.818 1.000 2 B 89.503 1 ATOM 1173 C CG1 . VAL 76 1196 ? B 4.769 4.991 1.904 1.000 2 B 89.503 1 ATOM 1174 C CG2 . VAL 76 1196 ? B 6.675 3.361 2.049 1.000 2 B 89.503 1 ATOM 1175 N N . CYS 77 1197 ? B 4.850 6.788 4.590 1.000 2 B 88.874 1 ATOM 1176 C CA . CYS 77 1197 ? B 3.787 7.519 5.271 1.000 2 B 88.874 1 ATOM 1177 C C . CYS 77 1197 ? B 2.904 8.255 4.271 1.000 2 B 88.874 1 ATOM 1178 O O . CYS 77 1197 ? B 3.405 8.985 3.413 1.000 2 B 88.874 1 ATOM 1179 C CB . CYS 77 1197 ? B 4.375 8.511 6.273 1.000 2 B 88.874 1 ATOM 1180 S SG . CYS 77 1197 ? B 5.563 9.661 5.546 1.000 2 B 88.874 1 ATOM 1181 N N . ILE 78 1198 ? B 1.646 7.872 4.268 1.000 2 B 85.223 1 ATOM 1182 C CA . ILE 78 1198 ? B 0.665 8.488 3.381 1.000 2 B 85.223 1 ATOM 1183 C C . ILE 78 1198 ? B -0.339 9.293 4.203 1.000 2 B 85.223 1 ATOM 1184 O O . ILE 78 1198 ? B -0.930 8.776 5.153 1.000 2 B 85.223 1 ATOM 1185 C CB . ILE 78 1198 ? B -0.068 7.429 2.527 1.000 2 B 85.223 1 ATOM 1186 C CG1 . ILE 78 1198 ? B 0.940 6.608 1.714 1.000 2 B 85.223 1 ATOM 1187 C CG2 . ILE 78 1198 ? B -1.098 8.095 1.610 1.000 2 B 85.223 1 ATOM 1188 C CD1 . ILE 78 1198 ? B 0.335 5.393 1.025 1.000 2 B 85.223 1 ATOM 1189 N N . GLU 79 1199 ? B -0.406 10.589 3.957 1.000 2 B 86.617 1 ATOM 1190 C CA . GLU 79 1199 ? B -1.373 11.460 4.618 1.000 2 B 86.617 1 ATOM 1191 C C . GLU 79 1199 ? B -2.791 11.186 4.124 1.000 2 B 86.617 1 ATOM 1192 O O . GLU 79 1199 ? B -3.025 11.086 2.918 1.000 2 B 86.617 1 ATOM 1193 C CB . GLU 79 1199 ? B -1.014 12.931 4.393 1.000 2 B 86.617 1 ATOM 1194 C CG . GLU 79 1199 ? B 0.302 13.348 5.036 1.000 2 B 86.617 1 ATOM 1195 C CD . GLU 79 1199 ? B 0.682 14.791 4.743 1.000 2 B 86.617 1 ATOM 1196 O OE1 . GLU 79 1199 ? B 1.748 15.245 5.216 1.000 2 B 86.617 1 ATOM 1197 O OE2 . GLU 79 1199 ? B -0.094 15.472 4.035 1.000 2 B 86.617 1 ATOM 1198 N N . LEU 80 1200 ? B -3.610 10.921 5.078 1.000 2 B 75.696 1 ATOM 1199 C CA . LEU 80 1200 ? B -4.988 10.562 4.764 1.000 2 B 75.696 1 ATOM 1200 C C . LEU 80 1200 ? B -5.793 11.793 4.363 1.000 2 B 75.696 1 ATOM 1201 O O . LEU 80 1200 ? B -6.992 11.696 4.093 1.000 2 B 75.696 1 ATOM 1202 C CB . LEU 80 1200 ? B -5.649 9.873 5.960 1.000 2 B 75.696 1 ATOM 1203 C CG . LEU 80 1200 ? B -5.087 8.505 6.350 1.000 2 B 75.696 1 ATOM 1204 C CD1 . LEU 80 1200 ? B -5.721 8.022 7.651 1.000 2 B 75.696 1 ATOM 1205 C CD2 . LEU 80 1200 ? B -5.314 7.494 5.231 1.000 2 B 75.696 1 ATOM 1206 N N . THR 81 1201 ? B -5.119 12.986 4.317 1.000 2 B 70.365 1 ATOM 1207 C CA . THR 81 1201 ? B -5.836 14.195 3.927 1.000 2 B 70.365 1 ATOM 1208 C C . THR 81 1201 ? B -6.221 14.143 2.451 1.000 2 B 70.365 1 ATOM 1209 O O . THR 81 1201 ? B -5.379 13.869 1.594 1.000 2 B 70.365 1 ATOM 1210 C CB . THR 81 1201 ? B -4.992 15.456 4.195 1.000 2 B 70.365 1 ATOM 1211 O OG1 . THR 81 1201 ? B -3.670 15.258 3.680 1.000 2 B 70.365 1 ATOM 1212 C CG2 . THR 81 1201 ? B -4.904 15.750 5.689 1.000 2 B 70.365 1 ATOM 1213 N N . GLY 82 1202 ? B -7.345 13.669 2.060 1.000 2 B 65.296 1 ATOM 1214 C CA . GLY 82 1202 ? B -7.899 13.644 0.716 1.000 2 B 65.296 1 ATOM 1215 C C . GLY 82 1202 ? B -8.131 12.239 0.193 1.000 2 B 65.296 1 ATOM 1216 O O . GLY 82 1202 ? B -8.550 12.058 -0.953 1.000 2 B 65.296 1 ATOM 1217 N N . LEU 83 1203 ? B -7.641 11.251 0.996 1.000 2 B 61.132 1 ATOM 1218 C CA . LEU 83 1203 ? B -7.851 9.848 0.656 1.000 2 B 61.132 1 ATOM 1219 C C . LEU 83 1203 ? B -9.013 9.264 1.453 1.000 2 B 61.132 1 ATOM 1220 O O . LEU 83 1203 ? B -9.002 9.293 2.686 1.000 2 B 61.132 1 ATOM 1221 C CB . LEU 83 1203 ? B -6.579 9.037 0.916 1.000 2 B 61.132 1 ATOM 1222 C CG . LEU 83 1203 ? B -5.361 9.395 0.063 1.000 2 B 61.132 1 ATOM 1223 C CD1 . LEU 83 1203 ? B -4.132 8.634 0.550 1.000 2 B 61.132 1 ATOM 1224 C CD2 . LEU 83 1203 ? B -5.632 9.098 -1.408 1.000 2 B 61.132 1 ATOM 1225 N N . HIS 84 1204 ? B -10.251 9.609 1.107 1.000 2 B 56.354 1 ATOM 1226 C CA . HIS 84 1204 ? B -11.448 9.147 1.799 1.000 2 B 56.354 1 ATOM 1227 C C . HIS 84 1204 ? B -11.658 7.650 1.598 1.000 2 B 56.354 1 ATOM 1228 O O . HIS 84 1204 ? B -11.759 7.180 0.463 1.000 2 B 56.354 1 ATOM 1229 C CB . HIS 84 1204 ? B -12.678 9.919 1.317 1.000 2 B 56.354 1 ATOM 1230 C CG . HIS 84 1204 ? B -13.395 10.648 2.409 1.000 2 B 56.354 1 ATOM 1231 N ND1 . HIS 84 1204 ? B -14.432 10.087 3.121 1.000 2 B 56.354 1 ATOM 1232 C CD2 . HIS 84 1204 ? B -13.220 11.893 2.910 1.000 2 B 56.354 1 ATOM 1233 C CE1 . HIS 84 1204 ? B -14.866 10.959 4.016 1.000 2 B 56.354 1 ATOM 1234 N NE2 . HIS 84 1204 ? B -14.147 12.063 3.908 1.000 2 B 56.354 1 ATOM 1235 N N . PRO 85 1205 ? B -11.195 6.854 2.482 1.000 2 B 57.041 1 ATOM 1236 C CA . PRO 85 1205 ? B -11.649 5.471 2.315 1.000 2 B 57.041 1 ATOM 1237 C C . PRO 85 1205 ? B -13.128 5.376 1.949 1.000 2 B 57.041 1 ATOM 1238 O O . PRO 85 1205 ? B -13.900 6.293 2.239 1.000 2 B 57.041 1 ATOM 1239 C CB . PRO 85 1205 ? B -11.384 4.845 3.687 1.000 2 B 57.041 1 ATOM 1240 C CG . PRO 85 1205 ? B -11.030 5.997 4.571 1.000 2 B 57.041 1 ATOM 1241 C CD . PRO 85 1205 ? B -10.893 7.227 3.720 1.000 2 B 57.041 1 ATOM 1242 N N . LYS 86 1206 ? B -13.445 5.322 0.660 1.000 2 B 61.047 1 ATOM 1243 C CA . LYS 86 1206 ? B -14.758 5.154 0.043 1.000 2 B 61.047 1 ATOM 1244 C C . LYS 86 1206 ? B -15.841 4.958 1.100 1.000 2 B 61.047 1 ATOM 1245 O O . LYS 86 1206 ? B -16.954 5.467 0.958 1.000 2 B 61.047 1 ATOM 1246 C CB . LYS 86 1206 ? B -14.749 3.970 -0.924 1.000 2 B 61.047 1 ATOM 1247 C CG . LYS 86 1206 ? B -15.729 4.108 -2.080 1.000 2 B 61.047 1 ATOM 1248 C CD . LYS 86 1206 ? B -15.738 2.862 -2.957 1.000 2 B 61.047 1 ATOM 1249 C CE . LYS 86 1206 ? B -17.030 2.747 -3.754 1.000 2 B 61.047 1 ATOM 1250 N NZ . LYS 86 1206 ? B -16.792 2.190 -5.119 1.000 2 B 61.047 1 ATOM 1251 N N . LYS 87 1207 ? B -15.504 4.699 2.378 1.000 2 B 54.164 1 ATOM 1252 C CA . LYS 87 1207 ? B -16.550 4.604 3.393 1.000 2 B 54.164 1 ATOM 1253 C C . LYS 87 1207 ? B -16.197 5.432 4.625 1.000 2 B 54.164 1 ATOM 1254 O O . LYS 87 1207 ? B -15.352 5.031 5.428 1.000 2 B 54.164 1 ATOM 1255 C CB . LYS 87 1207 ? B -16.780 3.145 3.790 1.000 2 B 54.164 1 ATOM 1256 C CG . LYS 87 1207 ? B -17.300 2.270 2.659 1.000 2 B 54.164 1 ATOM 1257 C CD . LYS 87 1207 ? B -17.615 0.860 3.142 1.000 2 B 54.164 1 ATOM 1258 C CE . LYS 87 1207 ? B -18.066 -0.037 1.997 1.000 2 B 54.164 1 ATOM 1259 N NZ . LYS 87 1207 ? B -18.290 -1.442 2.450 1.000 2 B 54.164 1 ATOM 1260 N N . GLN 88 1208 ? B -15.863 6.676 4.498 1.000 2 B 51.390 1 ATOM 1261 C CA . GLN 88 1208 ? B -15.605 7.667 5.537 1.000 2 B 51.390 1 ATOM 1262 C C . GLN 88 1208 ? B -16.103 7.182 6.896 1.000 2 B 51.390 1 ATOM 1263 O O . GLN 88 1208 ? B -15.439 7.386 7.915 1.000 2 B 51.390 1 ATOM 1264 C CB . GLN 88 1208 ? B -16.264 9.001 5.183 1.000 2 B 51.390 1 ATOM 1265 C CG . GLN 88 1208 ? B -15.747 10.178 6.000 1.000 2 B 51.390 1 ATOM 1266 C CD . GLN 88 1208 ? B -16.425 11.487 5.637 1.000 2 B 51.390 1 ATOM 1267 O OE1 . GLN 88 1208 ? B -17.058 11.602 4.583 1.000 2 B 51.390 1 ATOM 1268 N NE2 . GLN 88 1208 ? B -16.296 12.482 6.508 1.000 2 B 51.390 1 ATOM 1269 N N . ARG 89 1209 ? B -17.215 6.430 6.906 1.000 2 B 55.111 1 ATOM 1270 C CA . ARG 89 1209 ? B -17.688 5.844 8.156 1.000 2 B 55.111 1 ATOM 1271 C C . ARG 89 1209 ? B -16.797 4.684 8.588 1.000 2 B 55.111 1 ATOM 1272 O O . ARG 89 1209 ? B -16.650 4.418 9.783 1.000 2 B 55.111 1 ATOM 1273 C CB . ARG 89 1209 ? B -19.135 5.369 8.015 1.000 2 B 55.111 1 ATOM 1274 C CG . ARG 89 1209 ? B -20.163 6.483 8.133 1.000 2 B 55.111 1 ATOM 1275 C CD . ARG 89 1209 ? B -21.529 5.949 8.541 1.000 2 B 55.111 1 ATOM 1276 N NE . ARG 89 1209 ? B -22.567 6.967 8.411 1.000 2 B 55.111 1 ATOM 1277 C CZ . ARG 89 1209 ? B -23.658 6.847 7.660 1.000 2 B 55.111 1 ATOM 1278 N NH1 . ARG 89 1209 ? B -23.875 5.744 6.952 1.000 2 B 55.111 1 ATOM 1279 N NH2 . ARG 89 1209 ? B -24.538 7.836 7.614 1.000 2 B 55.111 1 ATOM 1280 N N . HIS 90 1210 ? B -16.026 4.168 7.722 1.000 2 B 56.912 1 ATOM 1281 C CA . HIS 90 1210 ? B -15.169 3.011 7.955 1.000 2 B 56.912 1 ATOM 1282 C C . HIS 90 1210 ? B -13.872 3.417 8.646 1.000 2 B 56.912 1 ATOM 1283 O O . HIS 90 1210 ? B -13.384 2.705 9.527 1.000 2 B 56.912 1 ATOM 1284 C CB . HIS 90 1210 ? B -14.861 2.299 6.637 1.000 2 B 56.912 1 ATOM 1285 C CG . HIS 90 1210 ? B -14.198 0.970 6.815 1.000 2 B 56.912 1 ATOM 1286 N ND1 . HIS 90 1210 ? B -13.088 0.793 7.612 1.000 2 B 56.912 1 ATOM 1287 C CD2 . HIS 90 1210 ? B -14.493 -0.247 6.298 1.000 2 B 56.912 1 ATOM 1288 C CE1 . HIS 90 1210 ? B -12.727 -0.479 7.577 1.000 2 B 56.912 1 ATOM 1289 N NE2 . HIS 90 1210 ? B -13.563 -1.131 6.787 1.000 2 B 56.912 1 ATOM 1290 N N . LEU 91 1211 ? B -13.382 4.747 8.268 1.000 2 B 59.039 1 ATOM 1291 C CA . LEU 91 1211 ? B -12.161 5.172 8.945 1.000 2 B 59.039 1 ATOM 1292 C C . LEU 91 1211 ? B -12.371 5.240 10.454 1.000 2 B 59.039 1 ATOM 1293 O O . LEU 91 1211 ? B -11.500 4.833 11.225 1.000 2 B 59.039 1 ATOM 1294 C CB . LEU 91 1211 ? B -11.704 6.536 8.419 1.000 2 B 59.039 1 ATOM 1295 C CG . LEU 91 1211 ? B -10.209 6.838 8.530 1.000 2 B 59.039 1 ATOM 1296 C CD1 . LEU 91 1211 ? B -9.491 6.441 7.243 1.000 2 B 59.039 1 ATOM 1297 C CD2 . LEU 91 1211 ? B -9.983 8.314 8.841 1.000 2 B 59.039 1 ATOM 1298 N N . LEU 92 1212 ? B -13.611 5.899 10.825 1.000 2 B 65.907 1 ATOM 1299 C CA . LEU 92 1212 ? B -13.926 5.941 12.249 1.000 2 B 65.907 1 ATOM 1300 C C . LEU 92 1212 ? B -14.028 4.533 12.825 1.000 2 B 65.907 1 ATOM 1301 O O . LEU 92 1212 ? B -13.542 4.271 13.927 1.000 2 B 65.907 1 ATOM 1302 C CB . LEU 92 1212 ? B -15.236 6.698 12.487 1.000 2 B 65.907 1 ATOM 1303 C CG . LEU 92 1212 ? B -15.185 8.215 12.299 1.000 2 B 65.907 1 ATOM 1304 C CD1 . LEU 92 1212 ? B -16.581 8.814 12.440 1.000 2 B 65.907 1 ATOM 1305 C CD2 . LEU 92 1212 ? B -14.223 8.847 13.300 1.000 2 B 65.907 1 ATOM 1306 N N . HIS 93 1213 ? B -14.700 3.634 12.150 1.000 2 B 66.789 1 ATOM 1307 C CA . HIS 93 1213 ? B -14.860 2.254 12.592 1.000 2 B 66.789 1 ATOM 1308 C C . HIS 93 1213 ? B -13.517 1.535 12.653 1.000 2 B 66.789 1 ATOM 1309 O O . HIS 93 1213 ? B -13.264 0.759 13.577 1.000 2 B 66.789 1 ATOM 1310 C CB . HIS 93 1213 ? B -15.817 1.502 11.665 1.000 2 B 66.789 1 ATOM 1311 C CG . HIS 93 1213 ? B -17.248 1.906 11.824 1.000 2 B 66.789 1 ATOM 1312 N ND1 . HIS 93 1213 ? B -17.856 2.828 10.999 1.000 2 B 66.789 1 ATOM 1313 C CD2 . HIS 93 1213 ? B -18.191 1.511 12.711 1.000 2 B 66.789 1 ATOM 1314 C CE1 . HIS 93 1213 ? B -19.115 2.982 11.374 1.000 2 B 66.789 1 ATOM 1315 N NE2 . HIS 93 1213 ? B -19.343 2.194 12.411 1.000 2 B 66.789 1 ATOM 1316 N N . LEU 94 1214 ? B -12.614 1.866 11.606 1.000 2 B 64.755 1 ATOM 1317 C CA . LEU 94 1214 ? B -11.275 1.286 11.593 1.000 2 B 64.755 1 ATOM 1318 C C . LEU 94 1214 ? B -10.470 1.748 12.803 1.000 2 B 64.755 1 ATOM 1319 O O . LEU 94 1214 ? B -9.771 0.949 13.431 1.000 2 B 64.755 1 ATOM 1320 C CB . LEU 94 1214 ? B -10.541 1.662 10.303 1.000 2 B 64.755 1 ATOM 1321 C CG . LEU 94 1214 ? B -10.725 0.715 9.117 1.000 2 B 64.755 1 ATOM 1322 C CD1 . LEU 94 1214 ? B -11.050 1.504 7.853 1.000 2 B 64.755 1 ATOM 1323 C CD2 . LEU 94 1214 ? B -9.477 -0.139 8.915 1.000 2 B 64.755 1 ATOM 1324 N N . ARG 95 1215 ? B -10.565 3.078 12.990 1.000 2 B 68.842 1 ATOM 1325 C CA . ARG 95 1215 ? B -9.973 3.591 14.222 1.000 2 B 68.842 1 ATOM 1326 C C . ARG 95 1215 ? B -10.500 2.836 15.438 1.000 2 B 68.842 1 ATOM 1327 O O . ARG 95 1215 ? B -9.732 2.481 16.335 1.000 2 B 68.842 1 ATOM 1328 C CB . ARG 95 1215 ? B -10.255 5.088 14.372 1.000 2 B 68.842 1 ATOM 1329 C CG . ARG 95 1215 ? B -9.656 5.705 15.625 1.000 2 B 68.842 1 ATOM 1330 C CD . ARG 95 1215 ? B -9.972 7.190 15.729 1.000 2 B 68.842 1 ATOM 1331 N NE . ARG 95 1215 ? B -8.759 8.003 15.706 1.000 2 B 68.842 1 ATOM 1332 C CZ . ARG 95 1215 ? B -8.609 9.160 16.345 1.000 2 B 68.842 1 ATOM 1333 N NH1 . ARG 95 1215 ? B -9.598 9.665 17.073 1.000 2 B 68.842 1 ATOM 1334 N NH2 . ARG 95 1215 ? B -7.462 9.816 16.255 1.000 2 B 68.842 1 ATOM 1335 N N . GLU 96 1216 ? B -11.827 2.744 15.475 1.000 2 B 71.621 1 ATOM 1336 C CA . GLU 96 1216 ? B -12.464 2.057 16.594 1.000 2 B 71.621 1 ATOM 1337 C C . GLU 96 1216 ? B -11.996 0.607 16.690 1.000 2 B 71.621 1 ATOM 1338 O O . GLU 96 1216 ? B -11.737 0.105 17.786 1.000 2 B 71.621 1 ATOM 1339 C CB . GLU 96 1216 ? B -13.988 2.110 16.460 1.000 2 B 71.621 1 ATOM 1340 C CG . GLU 96 1216 ? B -14.731 1.503 17.642 1.000 2 B 71.621 1 ATOM 1341 C CD . GLU 96 1216 ? B -16.243 1.574 17.501 1.000 2 B 71.621 1 ATOM 1342 O OE1 . GLU 96 1216 ? B -16.955 1.441 18.522 1.000 2 B 71.621 1 ATOM 1343 O OE2 . GLU 96 1216 ? B -16.720 1.764 16.359 1.000 2 B 71.621 1 ATOM 1344 N N . ARG 97 1217 ? B -11.848 -0.094 15.551 1.000 2 B 65.747 1 ATOM 1345 C CA . ARG 97 1217 ? B -11.418 -1.489 15.545 1.000 2 B 65.747 1 ATOM 1346 C C . ARG 97 1217 ? B -9.963 -1.616 15.982 1.000 2 B 65.747 1 ATOM 1347 O O . ARG 97 1217 ? B -9.602 -2.559 16.689 1.000 2 B 65.747 1 ATOM 1348 C CB . ARG 97 1217 ? B -11.603 -2.102 14.155 1.000 2 B 65.747 1 ATOM 1349 C CG . ARG 97 1217 ? B -13.050 -2.411 13.805 1.000 2 B 65.747 1 ATOM 1350 C CD . ARG 97 1217 ? B -13.446 -3.817 14.234 1.000 2 B 65.747 1 ATOM 1351 N NE . ARG 97 1217 ? B -14.513 -4.356 13.395 1.000 2 B 65.747 1 ATOM 1352 C CZ . ARG 97 1217 ? B -14.358 -5.335 12.507 1.000 2 B 65.747 1 ATOM 1353 N NH1 . ARG 97 1217 ? B -13.172 -5.903 12.325 1.000 2 B 65.747 1 ATOM 1354 N NH2 . ARG 97 1217 ? B -15.397 -5.748 11.796 1.000 2 B 65.747 1 ATOM 1355 N N . TRP 98 1218 ? B -9.162 -0.622 15.326 1.000 2 B 59.947 1 ATOM 1356 C CA . TRP 98 1218 ? B -7.763 -0.647 15.740 1.000 2 B 59.947 1 ATOM 1357 C C . TRP 98 1218 ? B -7.633 -0.377 17.235 1.000 2 B 59.947 1 ATOM 1358 O O . TRP 98 1218 ? B -6.871 -1.053 17.930 1.000 2 B 59.947 1 ATOM 1359 C CB . TRP 98 1218 ? B -6.949 0.383 14.950 1.000 2 B 59.947 1 ATOM 1360 C CG . TRP 98 1218 ? B -5.518 0.491 15.384 1.000 2 B 59.947 1 ATOM 1361 C CD1 . TRP 98 1218 ? B -4.972 1.449 16.192 1.000 2 B 59.947 1 ATOM 1362 C CD2 . TRP 98 1218 ? B -4.449 -0.391 15.028 1.000 2 B 59.947 1 ATOM 1363 N NE1 . TRP 98 1218 ? B -3.627 1.216 16.360 1.000 2 B 59.947 1 ATOM 1364 C CE2 . TRP 98 1218 ? B -3.281 0.093 15.658 1.000 2 B 59.947 1 ATOM 1365 C CE3 . TRP 98 1218 ? B -4.366 -1.546 14.239 1.000 2 B 59.947 1 ATOM 1366 C CZ2 . TRP 98 1218 ? B -2.042 -0.539 15.521 1.000 2 B 59.947 1 ATOM 1367 C CZ3 . TRP 98 1218 ? B -3.132 -2.173 14.104 1.000 2 B 59.947 1 ATOM 1368 C CH2 . TRP 98 1218 ? B -1.989 -1.666 14.743 1.000 2 B 59.947 1 ATOM 1369 N N . GLU 99 1219 ? B -8.221 0.660 17.766 1.000 2 B 71.417 1 ATOM 1370 C CA . GLU 99 1219 ? B -8.222 0.959 19.195 1.000 2 B 71.417 1 ATOM 1371 C C . GLU 99 1219 ? B -8.697 -0.241 20.009 1.000 2 B 71.417 1 ATOM 1372 O O . GLU 99 1219 ? B -8.162 -0.519 21.085 1.000 2 B 71.417 1 ATOM 1373 C CB . GLU 99 1219 ? B -9.103 2.176 19.489 1.000 2 B 71.417 1 ATOM 1374 C CG . GLU 99 1219 ? B -9.024 2.658 20.930 1.000 2 B 71.417 1 ATOM 1375 C CD . GLU 99 1219 ? B -9.415 4.118 21.096 1.000 2 B 71.417 1 ATOM 1376 O OE1 . GLU 99 1219 ? B -8.888 4.787 22.014 1.000 2 B 71.417 1 ATOM 1377 O OE2 . GLU 99 1219 ? B -10.255 4.597 20.302 1.000 2 B 71.417 1 ATOM 1378 N N . GLN 100 1220 ? B -9.587 -0.919 19.486 1.000 2 B 65.841 1 ATOM 1379 C CA . GLN 100 1220 ? B -10.081 -2.109 20.172 1.000 2 B 65.841 1 ATOM 1380 C C . GLN 100 1220 ? B -9.045 -3.229 20.145 1.000 2 B 65.841 1 ATOM 1381 O O . GLN 100 1220 ? B -8.917 -3.987 21.108 1.000 2 B 65.841 1 ATOM 1382 C CB . GLN 100 1220 ? B -11.389 -2.588 19.541 1.000 2 B 65.841 1 ATOM 1383 C CG . GLN 100 1220 ? B -12.586 -2.518 20.479 1.000 2 B 65.841 1 ATOM 1384 C CD . GLN 100 1220 ? B -13.810 -1.906 19.824 1.000 2 B 65.841 1 ATOM 1385 O OE1 . GLN 100 1220 ? B -14.332 -2.434 18.837 1.000 2 B 65.841 1 ATOM 1386 N NE2 . GLN 100 1220 ? B -14.276 -0.786 20.367 1.000 2 B 65.841 1 ATOM 1387 N N . GLN 101 1221 ? B -8.339 -3.405 18.938 1.000 2 B 61.027 1 ATOM 1388 C CA . GLN 101 1221 ? B -7.328 -4.449 18.815 1.000 2 B 61.027 1 ATOM 1389 C C . GLN 101 1221 ? B -6.116 -4.149 19.693 1.000 2 B 61.027 1 ATOM 1390 O O . GLN 101 1221 ? B -5.521 -5.061 20.272 1.000 2 B 61.027 1 ATOM 1391 C CB . GLN 101 1221 ? B -6.893 -4.607 17.357 1.000 2 B 61.027 1 ATOM 1392 C CG . GLN 101 1221 ? B -6.397 -6.005 17.011 1.000 2 B 61.027 1 ATOM 1393 C CD . GLN 101 1221 ? B -6.026 -6.150 15.547 1.000 2 B 61.027 1 ATOM 1394 O OE1 . GLN 101 1221 ? B -6.224 -5.229 14.748 1.000 2 B 61.027 1 ATOM 1395 N NE2 . GLN 101 1221 ? B -5.484 -7.307 15.185 1.000 2 B 61.027 1 ATOM 1396 N N . VAL 102 1222 ? B -5.647 -2.883 19.786 1.000 2 B 55.414 1 ATOM 1397 C CA . VAL 102 1222 ? B -4.481 -2.543 20.595 1.000 2 B 55.414 1 ATOM 1398 C C . VAL 102 1222 ? B -4.891 -2.403 22.060 1.000 2 B 55.414 1 ATOM 1399 O O . VAL 102 1222 ? B -4.087 -2.649 22.962 1.000 2 B 55.414 1 ATOM 1400 C CB . VAL 102 1222 ? B -3.809 -1.242 20.103 1.000 2 B 55.414 1 ATOM 1401 C CG1 . VAL 102 1222 ? B -2.432 -1.536 19.511 1.000 2 B 55.414 1 ATOM 1402 C CG2 . VAL 102 1222 ? B -4.696 -0.539 19.077 1.000 2 B 55.414 1 ATOM 1403 N N . SER 103 1223 ? B -6.154 -1.918 22.237 1.000 2 B 56.550 1 ATOM 1404 C CA . SER 103 1223 ? B -6.635 -1.805 23.610 1.000 2 B 56.550 1 ATOM 1405 C C . SER 103 1223 ? B -7.019 -3.169 24.175 1.000 2 B 56.550 1 ATOM 1406 O O . SER 103 1223 ? B -6.963 -3.382 25.388 1.000 2 B 56.550 1 ATOM 1407 C CB . SER 103 1223 ? B -7.833 -0.858 23.684 1.000 2 B 56.550 1 ATOM 1408 O OG . SER 103 1223 ? B -7.417 0.490 23.547 1.000 2 B 56.550 1 ATOM 1409 N N . ALA 104 1224 ? B -7.401 -4.068 23.262 1.000 2 B 53.290 1 ATOM 1410 C CA . ALA 104 1224 ? B -7.752 -5.382 23.794 1.000 2 B 53.290 1 ATOM 1411 C C . ALA 104 1224 ? B -6.514 -6.115 24.304 1.000 2 B 53.290 1 ATOM 1412 O O . ALA 104 1224 ? B -6.601 -6.918 25.235 1.000 2 B 53.290 1 ATOM 1413 C CB . ALA 104 1224 ? B -8.460 -6.216 22.729 1.000 2 B 53.290 1 ATOM 1414 N N . ALA 105 1225 ? B -5.287 -5.691 23.774 1.000 2 B 50.784 1 ATOM 1415 C CA . ALA 105 1225 ? B -4.092 -6.375 24.262 1.000 2 B 50.784 1 ATOM 1416 C C . ALA 105 1225 ? B -3.560 -5.713 25.529 1.000 2 B 50.784 1 ATOM 1417 O O . ALA 105 1225 ? B -2.886 -6.357 26.337 1.000 2 B 50.784 1 ATOM 1418 C CB . ALA 105 1225 ? B -3.013 -6.395 23.182 1.000 2 B 50.784 1 ATOM 1419 N N . ASP 106 1226 ? B -4.142 -4.554 25.889 1.000 2 B 45.055 1 ATOM 1420 C CA . ASP 106 1226 ? B -3.716 -3.970 27.157 1.000 2 B 45.055 1 ATOM 1421 C C . ASP 106 1226 ? B -4.822 -4.066 28.205 1.000 2 B 45.055 1 ATOM 1422 O O . ASP 106 1226 ? B -4.639 -3.646 29.349 1.000 2 B 45.055 1 ATOM 1423 C CB . ASP 106 1226 ? B -3.300 -2.511 26.963 1.000 2 B 45.055 1 ATOM 1424 C CG . ASP 106 1226 ? B -2.506 -1.960 28.135 1.000 2 B 45.055 1 ATOM 1425 O OD1 . ASP 106 1226 ? B -3.075 -1.215 28.962 1.000 2 B 45.055 1 ATOM 1426 O OD2 . ASP 106 1226 ? B -1.299 -2.271 28.230 1.000 2 B 45.055 1 ATOM 1427 N N . GLY 107 1227 ? B -5.815 -4.958 27.980 1.000 2 B 44.876 1 ATOM 1428 C CA . GLY 107 1227 ? B -6.618 -4.991 29.191 1.000 2 B 44.876 1 ATOM 1429 C C . GLY 107 1227 ? B -6.874 -6.397 29.700 1.000 2 B 44.876 1 ATOM 1430 O O . GLY 107 1227 ? B -7.372 -7.249 28.961 1.000 2 B 44.876 1 ATOM 1431 N N . LYS 108 1228 ? B -5.928 -7.261 29.816 1.000 2 B 39.686 1 ATOM 1432 C CA . LYS 108 1228 ? B -6.212 -8.281 30.820 1.000 2 B 39.686 1 ATOM 1433 C C . LYS 108 1228 ? B -7.645 -8.164 31.333 1.000 2 B 39.686 1 ATOM 1434 O O . LYS 108 1228 ? B -8.109 -7.066 31.646 1.000 2 B 39.686 1 ATOM 1435 C CB . LYS 108 1228 ? B -5.228 -8.176 31.986 1.000 2 B 39.686 1 ATOM 1436 C CG . LYS 108 1228 ? B -3.905 -8.889 31.746 1.000 2 B 39.686 1 ATOM 1437 C CD . LYS 108 1228 ? B -3.172 -9.161 33.053 1.000 2 B 39.686 1 ATOM 1438 C CE . LYS 108 1228 ? B -1.840 -9.859 32.812 1.000 2 B 39.686 1 ATOM 1439 N NZ . LYS 108 1228 ? B -1.235 -10.352 34.086 1.000 2 B 39.686 1 ATOM 1440 N N . PRO 109 1229 ? B -8.522 -9.174 31.111 1.000 2 B 44.230 1 ATOM 1441 C CA . PRO 109 1229 ? B -9.868 -9.406 31.640 1.000 2 B 44.230 1 ATOM 1442 C C . PRO 109 1229 ? B -9.900 -9.465 33.166 1.000 2 B 44.230 1 ATOM 1443 O O . PRO 109 1229 ? B -9.049 -10.113 33.780 1.000 2 B 44.230 1 ATOM 1444 C CB . PRO 109 1229 ? B -10.258 -10.756 31.033 1.000 2 B 44.230 1 ATOM 1445 C CG . PRO 109 1229 ? B -8.972 -11.507 30.914 1.000 2 B 44.230 1 ATOM 1446 C CD . PRO 109 1229 ? B -7.837 -10.549 31.139 1.000 2 B 44.230 1 ATOM 1447 N N . GLY 110 1230 ? B -9.667 -8.410 33.856 1.000 2 B 39.856 1 ATOM 1448 C CA . GLY 110 1230 ? B -10.116 -8.392 35.239 1.000 2 B 39.856 1 ATOM 1449 C C . GLY 110 1230 ? B -11.456 -9.073 35.440 1.000 2 B 39.856 1 ATOM 1450 O O . GLY 110 1230 ? B -12.428 -8.759 34.749 1.000 2 B 39.856 1 ATOM 1451 N N . ARG 111 1231 ? B -11.591 -10.376 35.315 1.000 2 B 36.009 1 ATOM 1452 C CA . ARG 111 1231 ? B -12.043 -11.365 36.289 1.000 2 B 36.009 1 ATOM 1453 C C . ARG 111 1231 ? B -12.523 -10.692 37.570 1.000 2 B 36.009 1 ATOM 1454 O O . ARG 111 1231 ? B -11.828 -9.840 38.129 1.000 2 B 36.009 1 ATOM 1455 C CB . ARG 111 1231 ? B -10.923 -12.357 36.607 1.000 2 B 36.009 1 ATOM 1456 C CG . ARG 111 1231 ? B -11.064 -13.694 35.896 1.000 2 B 36.009 1 ATOM 1457 C CD . ARG 111 1231 ? B -10.135 -14.747 36.484 1.000 2 B 36.009 1 ATOM 1458 N NE . ARG 111 1231 ? B -10.147 -15.976 35.697 1.000 2 B 36.009 1 ATOM 1459 C CZ . ARG 111 1231 ? B -10.334 -17.195 36.197 1.000 2 B 36.009 1 ATOM 1460 N NH1 . ARG 111 1231 ? B -10.529 -17.370 37.499 1.000 2 B 36.009 1 ATOM 1461 N NH2 . ARG 111 1231 ? B -10.326 -18.245 35.390 1.000 2 B 36.009 1 ATOM 1462 N N . GLN 112 1232 ? B -13.841 -10.282 37.757 1.000 2 B 35.747 1 ATOM 1463 C CA . GLN 112 1232 ? B -14.686 -10.762 38.846 1.000 2 B 35.747 1 ATOM 1464 C C . GLN 112 1232 ? B -15.040 -9.631 39.807 1.000 2 B 35.747 1 ATOM 1465 O O . GLN 112 1232 ? B -14.153 -8.966 40.345 1.000 2 B 35.747 1 ATOM 1466 C CB . GLN 112 1232 ? B -13.994 -11.897 39.603 1.000 2 B 35.747 1 ATOM 1467 C CG . GLN 112 1232 ? B -13.963 -13.215 38.841 1.000 2 B 35.747 1 ATOM 1468 C CD . GLN 112 1232 ? B -13.534 -14.384 39.708 1.000 2 B 35.747 1 ATOM 1469 O OE1 . GLN 112 1232 ? B -12.531 -14.307 40.425 1.000 2 B 35.747 1 ATOM 1470 N NE2 . GLN 112 1232 ? B -14.289 -15.475 39.648 1.000 2 B 35.747 1 ATOM 1471 N N . SER 113 1233 ? B -16.105 -8.871 39.712 1.000 2 B 41.056 1 ATOM 1472 C CA . SER 113 1233 ? B -16.576 -8.551 41.055 1.000 2 B 41.056 1 ATOM 1473 C C . SER 113 1233 ? B -18.098 -8.459 41.100 1.000 2 B 41.056 1 ATOM 1474 O O . SER 113 1233 ? B -18.706 -7.751 40.295 1.000 2 B 41.056 1 ATOM 1475 C CB . SER 113 1233 ? B -15.963 -7.237 41.540 1.000 2 B 41.056 1 ATOM 1476 O OG . SER 113 1233 ? B -16.241 -7.029 42.914 1.000 2 B 41.056 1 ATOM 1477 N N . ARG 114 1234 ? B -18.842 -9.571 41.033 1.000 2 B 41.960 1 ATOM 1478 C CA . ARG 114 1234 ? B -19.654 -9.880 42.206 1.000 2 B 41.960 1 ATOM 1479 C C . ARG 114 1234 ? B -21.136 -9.671 41.915 1.000 2 B 41.960 1 ATOM 1480 O O . ARG 114 1234 ? B -21.535 -8.612 41.425 1.000 2 B 41.960 1 ATOM 1481 C CB . ARG 114 1234 ? B -19.227 -9.021 43.398 1.000 2 B 41.960 1 ATOM 1482 C CG . ARG 114 1234 ? B -19.928 -9.379 44.698 1.000 2 B 41.960 1 ATOM 1483 C CD . ARG 114 1234 ? B -19.370 -8.592 45.875 1.000 2 B 41.960 1 ATOM 1484 N NE . ARG 114 1234 ? B -19.886 -9.087 47.148 1.000 2 B 41.960 1 ATOM 1485 C CZ . ARG 114 1234 ? B -20.295 -8.316 48.152 1.000 2 B 41.960 1 ATOM 1486 N NH1 . ARG 114 1234 ? B -20.255 -6.993 48.051 1.000 2 B 41.960 1 ATOM 1487 N NH2 . ARG 114 1234 ? B -20.746 -8.873 49.267 1.000 2 B 41.960 1 ATOM 1488 N N . LYS 115 1235 ? B -21.845 -10.657 41.354 1.000 2 B 41.474 1 ATOM 1489 C CA . LYS 115 1235 ? B -23.095 -11.262 41.805 1.000 2 B 41.474 1 ATOM 1490 C C . LYS 115 1235 ? B -23.804 -10.369 42.819 1.000 2 B 41.474 1 ATOM 1491 O O . LYS 115 1235 ? B -23.337 -10.212 43.949 1.000 2 B 41.474 1 ATOM 1492 C CB . LYS 115 1235 ? B -22.834 -12.641 42.414 1.000 2 B 41.474 1 ATOM 1493 C CG . LYS 115 1235 ? B -22.470 -13.709 41.393 1.000 2 B 41.474 1 ATOM 1494 C CD . LYS 115 1235 ? B -22.191 -15.049 42.062 1.000 2 B 41.474 1 ATOM 1495 C CE . LYS 115 1235 ? B -21.831 -16.120 41.042 1.000 2 B 41.474 1 ATOM 1496 N NZ . LYS 115 1235 ? B -21.718 -17.470 41.671 1.000 2 B 41.474 1 ATOM 1497 N N . GLU 116 1236 ? B -24.370 -9.253 42.489 1.000 2 B 41.725 1 ATOM 1498 C CA . GLU 116 1236 ? B -25.526 -8.864 43.292 1.000 2 B 41.725 1 ATOM 1499 C C . GLU 116 1236 ? B -26.828 -9.337 42.650 1.000 2 B 41.725 1 ATOM 1500 O O . GLU 116 1236 ? B -27.088 -9.052 41.480 1.000 2 B 41.725 1 ATOM 1501 C CB . GLU 116 1236 ? B -25.558 -7.346 43.489 1.000 2 B 41.725 1 ATOM 1502 C CG . GLU 116 1236 ? B -24.914 -6.882 44.788 1.000 2 B 41.725 1 ATOM 1503 C CD . GLU 116 1236 ? B -25.332 -5.478 45.196 1.000 2 B 41.725 1 ATOM 1504 O OE1 . GLU 116 1236 ? B -25.394 -5.193 46.413 1.000 2 B 41.725 1 ATOM 1505 O OE2 . GLU 116 1236 ? B -25.602 -4.657 44.291 1.000 2 B 41.725 1 ATOM 1506 N N . VAL 117 1237 ? B -27.235 -10.566 42.821 1.000 2 B 36.669 1 ATOM 1507 C CA . VAL 117 1237 ? B -28.319 -11.376 43.368 1.000 2 B 36.669 1 ATOM 1508 C C . VAL 117 1237 ? B -29.055 -10.591 44.451 1.000 2 B 36.669 1 ATOM 1509 O O . VAL 117 1237 ? B -28.437 -10.103 45.400 1.000 2 B 36.669 1 ATOM 1510 C CB . VAL 117 1237 ? B -27.796 -12.713 43.940 1.000 2 B 36.669 1 ATOM 1511 C CG1 . VAL 117 1237 ? B -28.885 -13.419 44.745 1.000 2 B 36.669 1 ATOM 1512 C CG2 . VAL 117 1237 ? B -27.290 -13.613 42.814 1.000 2 B 36.669 1 ATOM 1513 N N . THR 118 1238 ? B -30.117 -9.742 44.199 1.000 2 B 40.790 1 ATOM 1514 C CA . THR 118 1238 ? B -31.323 -9.616 45.010 1.000 2 B 40.790 1 ATOM 1515 C C . THR 118 1238 ? B -32.440 -8.941 44.218 1.000 2 B 40.790 1 ATOM 1516 O O . THR 118 1238 ? B -32.234 -7.879 43.628 1.000 2 B 40.790 1 ATOM 1517 C CB . THR 118 1238 ? B -31.050 -8.818 46.298 1.000 2 B 40.790 1 ATOM 1518 O OG1 . THR 118 1238 ? B -29.657 -8.909 46.623 1.000 2 B 40.790 1 ATOM 1519 C CG2 . THR 118 1238 ? B -31.869 -9.359 47.466 1.000 2 B 40.790 1 ATOM 1520 N N . GLN 119 1239 ? B -33.348 -9.685 43.575 1.000 2 B 30.508 1 ATOM 1521 C CA . GLN 119 1239 ? B -34.738 -9.944 43.936 1.000 2 B 30.508 1 ATOM 1522 C C . GLN 119 1239 ? B -35.624 -8.745 43.609 1.000 2 B 30.508 1 ATOM 1523 O O . GLN 119 1239 ? B -35.360 -7.630 44.063 1.000 2 B 30.508 1 ATOM 1524 C CB . GLN 119 1239 ? B -34.852 -10.291 45.421 1.000 2 B 30.508 1 ATOM 1525 C CG . GLN 119 1239 ? B -36.074 -11.134 45.763 1.000 2 B 30.508 1 ATOM 1526 C CD . GLN 119 1239 ? B -36.117 -11.538 47.225 1.000 2 B 30.508 1 ATOM 1527 O OE1 . GLN 119 1239 ? B -36.127 -10.685 48.119 1.000 2 B 30.508 1 ATOM 1528 N NE2 . GLN 119 1239 ? B -36.142 -12.841 47.479 1.000 2 B 30.508 1 ATOM 1529 N N . ALA 120 1240 ? B -36.295 -8.638 42.519 1.000 2 B 35.066 1 ATOM 1530 C CA . ALA 120 1240 ? B -37.720 -8.328 42.587 1.000 2 B 35.066 1 ATOM 1531 C C . ALA 120 1240 ? B -38.235 -7.814 41.245 1.000 2 B 35.066 1 ATOM 1532 O O . ALA 120 1240 ? B -37.693 -6.854 40.692 1.000 2 B 35.066 1 ATOM 1533 C CB . ALA 120 1240 ? B -37.990 -7.302 43.685 1.000 2 B 35.066 1 ATOM 1534 N N . THR 121 1241 ? B -38.663 -8.684 40.350 1.000 2 B 32.091 1 ATOM 1535 C CA . THR 121 1241 ? B -40.042 -8.686 39.876 1.000 2 B 32.091 1 ATOM 1536 C C . THR 121 1241 ? B -40.100 -8.993 38.382 1.000 2 B 32.091 1 ATOM 1537 O O . THR 121 1241 ? B -39.426 -8.341 37.583 1.000 2 B 32.091 1 ATOM 1538 C CB . THR 121 1241 ? B -40.731 -7.337 40.153 1.000 2 B 32.091 1 ATOM 1539 O OG1 . THR 121 1241 ? B -40.355 -6.873 41.455 1.000 2 B 32.091 1 ATOM 1540 C CG2 . THR 121 1241 ? B -42.249 -7.471 40.092 1.000 2 B 32.091 1 ATOM 1541 N N . GLN 122 1242 ? B -39.978 -10.193 37.991 1.000 2 B 25.037 1 ATOM 1542 C CA . GLN 122 1242 ? B -40.917 -10.828 37.073 1.000 2 B 25.037 1 ATOM 1543 C C . GLN 122 1242 ? B -42.185 -9.994 36.917 1.000 2 B 25.037 1 ATOM 1544 O O . GLN 122 1242 ? B -42.815 -9.622 37.909 1.000 2 B 25.037 1 ATOM 1545 C CB . GLN 122 1242 ? B -41.270 -12.236 37.555 1.000 2 B 25.037 1 ATOM 1546 C CG . GLN 122 1242 ? B -40.331 -13.317 37.037 1.000 2 B 25.037 1 ATOM 1547 C CD . GLN 122 1242 ? B -40.642 -13.732 35.611 1.000 2 B 25.037 1 ATOM 1548 O OE1 . GLN 122 1242 ? B -41.014 -12.901 34.777 1.000 2 B 25.037 1 ATOM 1549 N NE2 . GLN 122 1242 ? B -40.492 -15.020 35.323 1.000 2 B 25.037 1 ATOM 1550 N N . PRO 123 1243 ? B -42.470 -9.456 35.770 1.000 2 B 37.146 1 ATOM 1551 C CA . PRO 123 1243 ? B -43.730 -9.936 35.199 1.000 2 B 37.146 1 ATOM 1552 C C . PRO 123 1243 ? B -43.593 -10.358 33.738 1.000 2 B 37.146 1 ATOM 1553 O O . PRO 123 1243 ? B -42.702 -9.876 33.034 1.000 2 B 37.146 1 ATOM 1554 C CB . PRO 123 1243 ? B -44.661 -8.729 35.334 1.000 2 B 37.146 1 ATOM 1555 C CG . PRO 123 1243 ? B -43.779 -7.541 35.122 1.000 2 B 37.146 1 ATOM 1556 C CD . PRO 123 1243 ? B -42.358 -8.014 35.017 1.000 2 B 37.146 1 ATOM 1557 N N . GLU 124 1244 ? B -43.516 -11.605 33.463 1.000 2 B 32.321 1 ATOM 1558 C CA . GLU 124 1244 ? B -44.339 -12.359 32.522 1.000 2 B 32.321 1 ATOM 1559 C C . GLU 124 1244 ? B -45.459 -11.493 31.952 1.000 2 B 32.321 1 ATOM 1560 O O . GLU 124 1244 ? B -46.224 -10.884 32.703 1.000 2 B 32.321 1 ATOM 1561 C CB . GLU 124 1244 ? B -44.926 -13.601 33.196 1.000 2 B 32.321 1 ATOM 1562 C CG . GLU 124 1244 ? B -44.778 -14.874 32.375 1.000 2 B 32.321 1 ATOM 1563 C CD . GLU 124 1244 ? B -45.749 -15.969 32.787 1.000 2 B 32.321 1 ATOM 1564 O OE1 . GLU 124 1244 ? B -46.589 -16.380 31.954 1.000 2 B 32.321 1 ATOM 1565 O OE2 . GLU 124 1244 ? B -45.670 -16.420 33.951 1.000 2 B 32.321 1 ATOM 1566 N N . ALA 125 1245 ? B -45.360 -10.822 30.753 1.000 2 B 39.298 1 ATOM 1567 C CA . ALA 125 1245 ? B -46.518 -10.672 29.875 1.000 2 B 39.298 1 ATOM 1568 C C . ALA 125 1245 ? B -46.085 -10.364 28.444 1.000 2 B 39.298 1 ATOM 1569 O O . ALA 125 1245 ? B -45.245 -9.490 28.218 1.000 2 B 39.298 1 ATOM 1570 C CB . ALA 125 1245 ? B -47.442 -9.574 30.396 1.000 2 B 39.298 1 ATOM 1571 N N . ILE 126 1246 ? B -45.919 -11.255 27.422 1.000 2 B 38.101 1 ATOM 1572 C CA . ILE 126 1246 ? B -46.570 -11.552 26.151 1.000 2 B 38.101 1 ATOM 1573 C C . ILE 126 1246 ? B -47.034 -10.255 25.493 1.000 2 B 38.101 1 ATOM 1574 O O . ILE 126 1246 ? B -47.601 -9.383 26.157 1.000 2 B 38.101 1 ATOM 1575 C CB . ILE 126 1246 ? B -47.765 -12.514 26.340 1.000 2 B 38.101 1 ATOM 1576 C CG1 . ILE 126 1246 ? B -47.321 -13.776 27.089 1.000 2 B 38.101 1 ATOM 1577 C CG2 . ILE 126 1246 ? B -48.390 -12.871 24.988 1.000 2 B 38.101 1 ATOM 1578 C CD1 . ILE 126 1246 ? B -48.385 -14.863 27.154 1.000 2 B 38.101 1 ATOM 1579 N N . PRO 127 1247 ? B -46.976 -9.947 24.100 1.000 2 B 43.762 1 ATOM 1580 C CA . PRO 127 1247 ? B -46.822 -8.884 23.103 1.000 2 B 43.762 1 ATOM 1581 C C . PRO 127 1247 ? B -48.159 -8.303 22.649 1.000 2 B 43.762 1 ATOM 1582 O O . PRO 127 1247 ? B -49.193 -8.967 22.755 1.000 2 B 43.762 1 ATOM 1583 C CB . PRO 127 1247 ? B -46.112 -9.589 21.944 1.000 2 B 43.762 1 ATOM 1584 C CG . PRO 127 1247 ? B -46.669 -10.975 21.940 1.000 2 B 43.762 1 ATOM 1585 C CD . PRO 127 1247 ? B -47.557 -11.136 23.141 1.000 2 B 43.762 1 ATOM 1586 N N . GLN 128 1248 ? B -48.523 -6.914 22.866 1.000 2 B 31.674 1 ATOM 1587 C CA . GLN 128 1248 ? B -49.592 -6.179 22.198 1.000 2 B 31.674 1 ATOM 1588 C C . GLN 128 1248 ? B -49.616 -4.719 22.640 1.000 2 B 31.674 1 ATOM 1589 O O . GLN 128 1248 ? B -49.636 -4.428 23.838 1.000 2 B 31.674 1 ATOM 1590 C CB . GLN 128 1248 ? B -50.947 -6.834 22.475 1.000 2 B 31.674 1 ATOM 1591 C CG . GLN 128 1248 ? B -51.485 -7.650 21.308 1.000 2 B 31.674 1 ATOM 1592 C CD . GLN 128 1248 ? B -52.974 -7.922 21.418 1.000 2 B 31.674 1 ATOM 1593 O OE1 . GLN 128 1248 ? B -53.431 -8.570 22.365 1.000 2 B 31.674 1 ATOM 1594 N NE2 . GLN 128 1248 ? B -53.740 -7.428 20.452 1.000 2 B 31.674 1 ATOM 1595 N N . GLY 129 1249 ? B -48.960 -3.756 22.030 1.000 2 B 31.755 1 ATOM 1596 C CA . GLY 129 1249 ? B -49.749 -2.552 21.827 1.000 2 B 31.755 1 ATOM 1597 C C . GLY 129 1249 ? B -49.003 -1.282 22.191 1.000 2 B 31.755 1 ATOM 1598 O O . GLY 129 1249 ? B -48.312 -1.232 23.210 1.000 2 B 31.755 1 ATOM 1599 N N . THR 130 1250 ? B -48.531 -0.457 21.228 1.000 2 B 33.878 1 ATOM 1600 C CA . THR 130 1250 ? B -48.945 0.902 20.899 1.000 2 B 33.878 1 ATOM 1601 C C . THR 130 1250 ? B -47.877 1.909 21.318 1.000 2 B 33.878 1 ATOM 1602 O O . THR 130 1250 ? B -47.410 1.888 22.458 1.000 2 B 33.878 1 ATOM 1603 C CB . THR 130 1250 ? B -50.282 1.258 21.573 1.000 2 B 33.878 1 ATOM 1604 O OG1 . THR 130 1250 ? B -51.030 0.057 21.802 1.000 2 B 33.878 1 ATOM 1605 C CG2 . THR 130 1250 ? B -51.107 2.197 20.698 1.000 2 B 33.878 1 ATOM 1606 N N . ASN 131 1251 ? B -46.958 2.352 20.442 1.000 2 B 40.174 1 ATOM 1607 C CA . ASN 131 1251 ? B -46.718 3.791 20.393 1.000 2 B 40.174 1 ATOM 1608 C C . ASN 131 1251 ? B -45.991 4.194 19.113 1.000 2 B 40.174 1 ATOM 1609 O O . ASN 131 1251 ? B -44.927 3.656 18.804 1.000 2 B 40.174 1 ATOM 1610 C CB . ASN 131 1251 ? B -45.926 4.245 21.620 1.000 2 B 40.174 1 ATOM 1611 C CG . ASN 131 1251 ? B -46.816 4.772 22.728 1.000 2 B 40.174 1 ATOM 1612 O OD1 . ASN 131 1251 ? B -47.345 5.883 22.642 1.000 2 B 40.174 1 ATOM 1613 N ND2 . ASN 131 1251 ? B -46.990 3.977 23.778 1.000 2 B 40.174 1 ATOM 1614 N N . ILE 132 1252 ? B -46.645 4.481 17.964 1.000 2 B 38.300 1 ATOM 1615 C CA . ILE 132 1252 ? B -46.977 5.686 17.211 1.000 2 B 38.300 1 ATOM 1616 C C . ILE 132 1252 ? B -45.975 6.791 17.536 1.000 2 B 38.300 1 ATOM 1617 O O . ILE 132 1252 ? B -45.832 7.187 18.696 1.000 2 B 38.300 1 ATOM 1618 C CB . ILE 132 1252 ? B -48.416 6.161 17.513 1.000 2 B 38.300 1 ATOM 1619 C CG1 . ILE 132 1252 ? B -48.704 6.073 19.016 1.000 2 B 38.300 1 ATOM 1620 C CG2 . ILE 132 1252 ? B -49.434 5.345 16.711 1.000 2 B 38.300 1 ATOM 1621 C CD1 . ILE 132 1252 ? B -49.471 7.266 19.570 1.000 2 B 38.300 1 ATOM 1622 N N . THR 133 1253 ? B -44.922 7.011 16.772 1.000 2 B 48.825 1 ATOM 1623 C CA . THR 133 1253 ? B -44.499 8.324 16.298 1.000 2 B 48.825 1 ATOM 1624 C C . THR 133 1253 ? B -44.043 8.253 14.844 1.000 2 B 48.825 1 ATOM 1625 O O . THR 133 1253 ? B -43.198 7.427 14.492 1.000 2 B 48.825 1 ATOM 1626 C CB . THR 133 1253 ? B -43.362 8.893 17.168 1.000 2 B 48.825 1 ATOM 1627 O OG1 . THR 133 1253 ? B -43.684 8.699 18.551 1.000 2 B 48.825 1 ATOM 1628 C CG2 . THR 133 1253 ? B -43.164 10.383 16.908 1.000 2 B 48.825 1 ATOM 1629 N N . GLU 134 1254 ? B -44.945 8.339 13.760 1.000 2 B 36.323 1 ATOM 1630 C CA . GLU 134 1254 ? B -45.298 9.305 12.724 1.000 2 B 36.323 1 ATOM 1631 C C . GLU 134 1254 ? B -44.139 10.254 12.436 1.000 2 B 36.323 1 ATOM 1632 O O . GLU 134 1254 ? B -43.569 10.844 13.356 1.000 2 B 36.323 1 ATOM 1633 C CB . GLU 134 1254 ? B -46.541 10.101 13.132 1.000 2 B 36.323 1 ATOM 1634 C CG . GLU 134 1254 ? B -47.132 10.938 12.007 1.000 2 B 36.323 1 ATOM 1635 C CD . GLU 134 1254 ? B -48.127 11.980 12.493 1.000 2 B 36.323 1 ATOM 1636 O OE1 . GLU 134 1254 ? B -47.809 13.190 12.450 1.000 2 B 36.323 1 ATOM 1637 O OE2 . GLU 134 1254 ? B -49.233 11.583 12.922 1.000 2 B 36.323 1 ATOM 1638 N N . GLU 135 1255 ? B -43.289 10.052 11.293 1.000 2 B 43.684 1 ATOM 1639 C CA . GLU 135 1255 ? B -43.113 11.086 10.278 1.000 2 B 43.684 1 ATOM 1640 C C . GLU 135 1255 ? B -41.987 10.727 9.312 1.000 2 B 43.684 1 ATOM 1641 O O . GLU 135 1255 ? B -40.857 10.474 9.735 1.000 2 B 43.684 1 ATOM 1642 C CB . GLU 135 1255 ? B -42.831 12.441 10.934 1.000 2 B 43.684 1 ATOM 1643 C CG . GLU 135 1255 ? B -42.982 13.625 9.990 1.000 2 B 43.684 1 ATOM 1644 C CD . GLU 135 1255 ? B -42.275 14.878 10.482 1.000 2 B 43.684 1 ATOM 1645 O OE1 . GLU 135 1255 ? B -41.172 15.190 9.979 1.000 2 B 43.684 1 ATOM 1646 O OE2 . GLU 135 1255 ? B -42.830 15.553 11.378 1.000 2 B 43.684 1 ATOM 1647 N N . LYS 136 1256 ? B -42.310 10.026 8.155 1.000 2 B 41.621 1 ATOM 1648 C CA . LYS 136 1256 ? B -42.304 10.232 6.710 1.000 2 B 41.621 1 ATOM 1649 C C . LYS 136 1256 ? B -41.468 9.167 6.006 1.000 2 B 41.621 1 ATOM 1650 O O . LYS 136 1256 ? B -40.277 9.021 6.285 1.000 2 B 41.621 1 ATOM 1651 C CB . LYS 136 1256 ? B -41.772 11.625 6.369 1.000 2 B 41.621 1 ATOM 1652 C CG . LYS 136 1256 ? B -42.845 12.704 6.325 1.000 2 B 41.621 1 ATOM 1653 C CD . LYS 136 1256 ? B -42.399 13.902 5.497 1.000 2 B 41.621 1 ATOM 1654 C CE . LYS 136 1256 ? B -43.536 14.445 4.641 1.000 2 B 41.621 1 ATOM 1655 N NZ . LYS 136 1256 ? B -43.183 15.756 4.019 1.000 2 B 41.621 1 ATOM 1656 N N . PRO 137 1257 ? B -42.173 8.215 5.345 1.000 2 B 45.528 1 ATOM 1657 C CA . PRO 137 1257 ? B -41.568 7.539 4.195 1.000 2 B 45.528 1 ATOM 1658 C C . PRO 137 1257 ? B -41.984 8.157 2.862 1.000 2 B 45.528 1 ATOM 1659 O O . PRO 137 1257 ? B -43.107 8.649 2.729 1.000 2 B 45.528 1 ATOM 1660 C CB . PRO 137 1257 ? B -42.088 6.104 4.316 1.000 2 B 45.528 1 ATOM 1661 C CG . PRO 137 1257 ? B -43.458 6.241 4.898 1.000 2 B 45.528 1 ATOM 1662 C CD . PRO 137 1257 ? B -43.657 7.670 5.316 1.000 2 B 45.528 1 ATOM 1663 N N . GLY 138 1258 ? B -41.181 9.083 2.309 1.000 2 B 34.422 1 ATOM 1664 C CA . GLY 138 1258 ? B -41.511 9.489 0.952 1.000 2 B 34.422 1 ATOM 1665 C C . GLY 138 1258 ? B -40.289 9.795 0.107 1.000 2 B 34.422 1 ATOM 1666 O O . GLY 138 1258 ? B -39.400 10.533 0.536 1.000 2 B 34.422 1 ATOM 1667 N N . ARG 139 1259 ? B -39.874 8.835 -0.800 1.000 2 B 45.080 1 ATOM 1668 C CA . ARG 139 1259 ? B -39.943 8.908 -2.256 1.000 2 B 45.080 1 ATOM 1669 C C . ARG 139 1259 ? B -38.723 8.255 -2.896 1.000 2 B 45.080 1 ATOM 1670 O O . ARG 139 1259 ? B -37.586 8.563 -2.534 1.000 2 B 45.080 1 ATOM 1671 C CB . ARG 139 1259 ? B -40.061 10.363 -2.717 1.000 2 B 45.080 1 ATOM 1672 C CG . ARG 139 1259 ? B -41.467 10.932 -2.608 1.000 2 B 45.080 1 ATOM 1673 C CD . ARG 139 1259 ? B -41.605 12.243 -3.370 1.000 2 B 45.080 1 ATOM 1674 N NE . ARG 139 1259 ? B -42.733 13.032 -2.884 1.000 2 B 45.080 1 ATOM 1675 C CZ . ARG 139 1259 ? B -43.442 13.877 -3.626 1.000 2 B 45.080 1 ATOM 1676 N NH1 . ARG 139 1259 ? B -43.152 14.061 -4.909 1.000 2 B 45.080 1 ATOM 1677 N NH2 . ARG 139 1259 ? B -44.449 14.545 -3.082 1.000 2 B 45.080 1 ATOM 1678 N N . LYS 140 1260 ? B -38.799 6.979 -3.298 1.000 2 B 42.139 1 ATOM 1679 C CA . LYS 140 1260 ? B -38.651 6.233 -4.544 1.000 2 B 42.139 1 ATOM 1680 C C . LYS 140 1260 ? B -38.454 7.175 -5.729 1.000 2 B 42.139 1 ATOM 1681 O O . LYS 140 1260 ? B -39.296 8.036 -5.990 1.000 2 B 42.139 1 ATOM 1682 C CB . LYS 140 1260 ? B -39.869 5.339 -4.783 1.000 2 B 42.139 1 ATOM 1683 C CG . LYS 140 1260 ? B -39.571 3.850 -4.688 1.000 2 B 42.139 1 ATOM 1684 C CD . LYS 140 1260 ? B -40.817 3.013 -4.949 1.000 2 B 42.139 1 ATOM 1685 C CE . LYS 140 1260 ? B -40.476 1.539 -5.124 1.000 2 B 42.139 1 ATOM 1686 N NZ . LYS 140 1260 ? B -41.674 0.735 -5.509 1.000 2 B 42.139 1 ATOM 1687 N N . ARG 141 1261 ? B -37.256 7.676 -6.056 1.000 2 B 47.722 1 ATOM 1688 C CA . ARG 141 1261 ? B -36.804 8.066 -7.388 1.000 2 B 47.722 1 ATOM 1689 C C . ARG 141 1261 ? B -35.610 7.226 -7.829 1.000 2 B 47.722 1 ATOM 1690 O O . ARG 141 1261 ? B -34.672 7.018 -7.057 1.000 2 B 47.722 1 ATOM 1691 C CB . ARG 141 1261 ? B -36.439 9.552 -7.417 1.000 2 B 47.722 1 ATOM 1692 C CG . ARG 141 1261 ? B -36.617 10.203 -8.779 1.000 2 B 47.722 1 ATOM 1693 C CD . ARG 141 1261 ? B -36.211 11.670 -8.761 1.000 2 B 47.722 1 ATOM 1694 N NE . ARG 141 1261 ? B -36.568 12.344 -10.006 1.000 2 B 47.722 1 ATOM 1695 C CZ . ARG 141 1261 ? B -36.401 13.643 -10.239 1.000 2 B 47.722 1 ATOM 1696 N NH1 . ARG 141 1261 ? B -35.877 14.437 -9.312 1.000 2 B 47.722 1 ATOM 1697 N NH2 . ARG 141 1261 ? B -36.761 14.153 -11.408 1.000 2 B 47.722 1 ATOM 1698 N N . ALA 142 1262 ? B -35.816 6.203 -8.691 1.000 2 B 40.079 1 ATOM 1699 C CA . ALA 142 1262 ? B -35.638 5.980 -10.123 1.000 2 B 40.079 1 ATOM 1700 C C . ALA 142 1262 ? B -34.159 5.992 -10.501 1.000 2 B 40.079 1 ATOM 1701 O O . ALA 142 1262 ? B -33.413 6.881 -10.083 1.000 2 B 40.079 1 ATOM 1702 C CB . ALA 142 1262 ? B -36.398 7.034 -10.925 1.000 2 B 40.079 1 ATOM 1703 N N . GLU 143 1263 ? B -33.597 4.851 -10.574 1.000 2 B 42.535 1 ATOM 1704 C CA . GLU 143 1263 ? B -32.786 4.220 -11.610 1.000 2 B 42.535 1 ATOM 1705 C C . GLU 143 1263 ? B -31.989 5.257 -12.396 1.000 2 B 42.535 1 ATOM 1706 O O . GLU 143 1263 ? B -32.568 6.153 -13.015 1.000 2 B 42.535 1 ATOM 1707 C CB . GLU 143 1263 ? B -33.666 3.403 -12.559 1.000 2 B 42.535 1 ATOM 1708 C CG . GLU 143 1263 ? B -33.685 1.913 -12.251 1.000 2 B 42.535 1 ATOM 1709 C CD . GLU 143 1263 ? B -34.302 1.078 -13.362 1.000 2 B 42.535 1 ATOM 1710 O OE1 . GLU 143 1263 ? B -33.599 0.213 -13.933 1.000 2 B 42.535 1 ATOM 1711 O OE2 . GLU 143 1263 ? B -35.497 1.292 -13.665 1.000 2 B 42.535 1 ATOM 1712 N N . ALA 144 1264 ? B -31.017 5.951 -11.824 1.000 2 B 43.258 1 ATOM 1713 C CA . ALA 144 1264 ? B -30.001 6.616 -12.636 1.000 2 B 43.258 1 ATOM 1714 C C . ALA 144 1264 ? B -28.652 5.915 -12.509 1.000 2 B 43.258 1 ATOM 1715 O O . ALA 144 1264 ? B -28.224 5.573 -11.404 1.000 2 B 43.258 1 ATOM 1716 C CB . ALA 144 1264 ? B -29.875 8.083 -12.232 1.000 2 B 43.258 1 ATOM 1717 N N . LYS 145 1265 ? B -28.470 4.773 -13.179 1.000 2 B 46.327 1 ATOM 1718 C CA . LYS 145 1265 ? B -27.345 4.368 -14.018 1.000 2 B 46.327 1 ATOM 1719 C C . LYS 145 1265 ? B -26.018 4.809 -13.408 1.000 2 B 46.327 1 ATOM 1720 O O . LYS 145 1265 ? B -25.811 5.996 -13.149 1.000 2 B 46.327 1 ATOM 1721 C CB . LYS 145 1265 ? B -27.491 4.944 -15.427 1.000 2 B 46.327 1 ATOM 1722 C CG . LYS 145 1265 ? B -27.124 3.969 -16.536 1.000 2 B 46.327 1 ATOM 1723 C CD . LYS 145 1265 ? B -27.309 4.593 -17.913 1.000 2 B 46.327 1 ATOM 1724 C CE . LYS 145 1265 ? B -26.977 3.606 -19.024 1.000 2 B 46.327 1 ATOM 1725 N NZ . LYS 145 1265 ? B -26.983 4.261 -20.366 1.000 2 B 46.327 1 ATOM 1726 N N . GLY 146 1266 ? B -25.523 4.257 -12.368 1.000 2 B 42.406 1 ATOM 1727 C CA . GLY 146 1266 ? B -24.086 4.032 -12.381 1.000 2 B 42.406 1 ATOM 1728 C C . GLY 146 1266 ? B -23.540 3.592 -11.036 1.000 2 B 42.406 1 ATOM 1729 O O . GLY 146 1266 ? B -23.176 4.426 -10.205 1.000 2 B 42.406 1 ATOM 1730 N N . ASN 147 1267 ? B -24.085 2.557 -10.461 1.000 2 B 42.025 1 ATOM 1731 C CA . ASN 147 1267 ? B -23.437 1.994 -9.281 1.000 2 B 42.025 1 ATOM 1732 C C . ASN 147 1267 ? B -22.702 0.698 -9.610 1.000 2 B 42.025 1 ATOM 1733 O O . ASN 147 1267 ? B -23.325 -0.291 -10.001 1.000 2 B 42.025 1 ATOM 1734 C CB . ASN 147 1267 ? B -24.459 1.758 -8.168 1.000 2 B 42.025 1 ATOM 1735 C CG . ASN 147 1267 ? B -25.690 2.631 -8.311 1.000 2 B 42.025 1 ATOM 1736 O OD1 . ASN 147 1267 ? B -26.282 2.719 -9.390 1.000 2 B 42.025 1 ATOM 1737 N ND2 . ASN 147 1267 ? B -26.085 3.282 -7.223 1.000 2 B 42.025 1 ATOM 1738 N N . ARG 148 1268 ? B -21.751 0.743 -10.570 1.000 2 B 49.117 1 ATOM 1739 C CA . ARG 148 1268 ? B -20.726 -0.291 -10.658 1.000 2 B 49.117 1 ATOM 1740 C C . ARG 148 1268 ? B -20.303 -0.762 -9.270 1.000 2 B 49.117 1 ATOM 1741 O O . ARG 148 1268 ? B -19.712 0 -8.503 1.000 2 B 49.117 1 ATOM 1742 C CB . ARG 148 1268 ? B -19.508 0.222 -11.430 1.000 2 B 49.117 1 ATOM 1743 C CG . ARG 148 1268 ? B -19.243 -0.524 -12.728 1.000 2 B 49.117 1 ATOM 1744 C CD . ARG 148 1268 ? B -17.895 -0.151 -13.328 1.000 2 B 49.117 1 ATOM 1745 N NE . ARG 148 1268 ? B -17.997 1.017 -14.199 1.000 2 B 49.117 1 ATOM 1746 C CZ . ARG 148 1268 ? B -17.540 1.073 -15.447 1.000 2 B 49.117 1 ATOM 1747 N NH1 . ARG 148 1268 ? B -16.938 0.025 -15.997 1.000 2 B 49.117 1 ATOM 1748 N NH2 . ARG 148 1268 ? B -17.686 2.186 -16.150 1.000 2 B 49.117 1 ATOM 1749 N N . SER 149 1269 ? B -21.188 -1.302 -8.370 1.000 2 B 48.710 1 ATOM 1750 C CA . SER 149 1269 ? B -21.190 -2.317 -7.321 1.000 2 B 48.710 1 ATOM 1751 C C . SER 149 1269 ? B -20.239 -3.460 -7.657 1.000 2 B 48.710 1 ATOM 1752 O O . SER 149 1269 ? B -20.295 -4.020 -8.754 1.000 2 B 48.710 1 ATOM 1753 C CB . SER 149 1269 ? B -22.602 -2.864 -7.108 1.000 2 B 48.710 1 ATOM 1754 O OG . SER 149 1269 ? B -23.510 -1.814 -6.821 1.000 2 B 48.710 1 ATOM 1755 N N . TRP 150 1270 ? B -18.876 -3.389 -7.622 1.000 2 B 34.736 1 ATOM 1756 C CA . TRP 150 1270 ? B -17.991 -4.548 -7.608 1.000 2 B 34.736 1 ATOM 1757 C C . TRP 150 1270 ? B -18.360 -5.501 -6.476 1.000 2 B 34.736 1 ATOM 1758 O O . TRP 150 1270 ? B -18.109 -5.210 -5.304 1.000 2 B 34.736 1 ATOM 1759 C CB . TRP 150 1270 ? B -16.531 -4.109 -7.466 1.000 2 B 34.736 1 ATOM 1760 C CG . TRP 150 1270 ? B -16.010 -3.338 -8.641 1.000 2 B 34.736 1 ATOM 1761 C CD1 . TRP 150 1270 ? B -15.930 -1.979 -8.766 1.000 2 B 34.736 1 ATOM 1762 C CD2 . TRP 150 1270 ? B -15.499 -3.884 -9.862 1.000 2 B 34.736 1 ATOM 1763 N NE1 . TRP 150 1270 ? B -15.401 -1.647 -9.992 1.000 2 B 34.736 1 ATOM 1764 C CE2 . TRP 150 1270 ? B -15.127 -2.796 -10.683 1.000 2 B 34.736 1 ATOM 1765 C CE3 . TRP 150 1270 ? B -15.319 -5.189 -10.341 1.000 2 B 34.736 1 ATOM 1766 C CZ2 . TRP 150 1270 ? B -14.585 -2.975 -11.958 1.000 2 B 34.736 1 ATOM 1767 C CZ3 . TRP 150 1270 ? B -14.780 -5.364 -11.610 1.000 2 B 34.736 1 ATOM 1768 C CH2 . TRP 150 1270 ? B -14.420 -4.261 -12.402 1.000 2 B 34.736 1 ATOM 1769 N N . SER 151 1271 ? B -19.614 -6.058 -6.325 1.000 2 B 41.760 1 ATOM 1770 C CA . SER 151 1271 ? B -19.972 -7.299 -5.645 1.000 2 B 41.760 1 ATOM 1771 C C . SER 151 1271 ? B -19.163 -8.476 -6.181 1.000 2 B 41.760 1 ATOM 1772 O O . SER 151 1271 ? B -18.979 -8.610 -7.392 1.000 2 B 41.760 1 ATOM 1773 C CB . SER 151 1271 ? B -21.466 -7.585 -5.801 1.000 2 B 41.760 1 ATOM 1774 O OG . SER 151 1271 ? B -22.186 -6.386 -6.033 1.000 2 B 41.760 1 ATOM 1775 N N . GLU 152 1272 ? B -18.030 -8.735 -5.592 1.000 2 B 42.722 1 ATOM 1776 C CA . GLU 152 1272 ? B -17.496 -9.989 -5.068 1.000 2 B 42.722 1 ATOM 1777 C C . GLU 152 1272 ? B -17.949 -11.177 -5.912 1.000 2 B 42.722 1 ATOM 1778 O O . GLU 152 1272 ? B -19.147 -11.436 -6.036 1.000 2 B 42.722 1 ATOM 1779 C CB . GLU 152 1272 ? B -17.921 -10.187 -3.610 1.000 2 B 42.722 1 ATOM 1780 C CG . GLU 152 1272 ? B -16.953 -11.035 -2.798 1.000 2 B 42.722 1 ATOM 1781 C CD . GLU 152 1272 ? B -17.329 -11.132 -1.328 1.000 2 B 42.722 1 ATOM 1782 O OE1 . GLU 152 1272 ? B -18.081 -12.061 -0.953 1.000 2 B 42.722 1 ATOM 1783 O OE2 . GLU 152 1272 ? B -16.870 -10.271 -0.544 1.000 2 B 42.722 1 ATOM 1784 N N . GLU 153 1273 ? B -17.573 -11.233 -7.173 1.000 2 B 41.082 1 ATOM 1785 C CA . GLU 153 1273 ? B -17.600 -12.472 -7.945 1.000 2 B 41.082 1 ATOM 1786 C C . GLU 153 1273 ? B -16.847 -13.587 -7.224 1.000 2 B 41.082 1 ATOM 1787 O O . GLU 153 1273 ? B -15.688 -13.414 -6.841 1.000 2 B 41.082 1 ATOM 1788 C CB . GLU 153 1273 ? B -17.006 -12.252 -9.338 1.000 2 B 41.082 1 ATOM 1789 C CG . GLU 153 1273 ? B -16.436 -13.513 -9.971 1.000 2 B 41.082 1 ATOM 1790 C CD . GLU 153 1273 ? B -15.926 -13.297 -11.386 1.000 2 B 41.082 1 ATOM 1791 O OE1 . GLU 153 1273 ? B -14.720 -13.520 -11.637 1.000 2 B 41.082 1 ATOM 1792 O OE2 . GLU 153 1273 ? B -16.738 -12.900 -12.251 1.000 2 B 41.082 1 ATOM 1793 N N . SER 154 1274 ? B -17.386 -14.131 -6.153 1.000 2 B 40.250 1 ATOM 1794 C CA . SER 154 1274 ? B -17.573 -15.562 -5.936 1.000 2 B 40.250 1 ATOM 1795 C C . SER 154 1274 ? B -17.177 -16.365 -7.171 1.000 2 B 40.250 1 ATOM 1796 O O . SER 154 1274 ? B -17.769 -16.202 -8.240 1.000 2 B 40.250 1 ATOM 1797 C CB . SER 154 1274 ? B -19.026 -15.863 -5.567 1.000 2 B 40.250 1 ATOM 1798 O OG . SER 154 1274 ? B -19.187 -15.913 -4.159 1.000 2 B 40.250 1 ATOM 1799 N N . LEU 155 1275 ? B -15.933 -16.409 -7.568 1.000 2 B 43.996 1 ATOM 1800 C CA . LEU 155 1275 ? B -15.267 -17.434 -8.364 1.000 2 B 43.996 1 ATOM 1801 C C . LEU 155 1275 ? B -15.588 -18.828 -7.834 1.000 2 B 43.996 1 ATOM 1802 O O . LEU 155 1275 ? B -15.278 -19.145 -6.684 1.000 2 B 43.996 1 ATOM 1803 C CB . LEU 155 1275 ? B -13.753 -17.212 -8.366 1.000 2 B 43.996 1 ATOM 1804 C CG . LEU 155 1275 ? B -13.257 -15.922 -9.022 1.000 2 B 43.996 1 ATOM 1805 C CD1 . LEU 155 1275 ? B -11.759 -15.752 -8.793 1.000 2 B 43.996 1 ATOM 1806 C CD2 . LEU 155 1275 ? B -13.579 -15.923 -10.513 1.000 2 B 43.996 1 ATOM 1807 N N . LYS 156 1276 ? B -16.766 -19.284 -7.777 1.000 2 B 39.551 1 ATOM 1808 C CA . LYS 156 1276 ? B -17.028 -20.720 -7.745 1.000 2 B 39.551 1 ATOM 1809 C C . LYS 156 1276 ? B -16.459 -21.411 -8.981 1.000 2 B 39.551 1 ATOM 1810 O O . LYS 156 1276 ? B -16.640 -20.935 -10.103 1.000 2 B 39.551 1 ATOM 1811 C CB . LYS 156 1276 ? B -18.530 -20.989 -7.640 1.000 2 B 39.551 1 ATOM 1812 C CG . LYS 156 1276 ? B -19.052 -21.034 -6.211 1.000 2 B 39.551 1 ATOM 1813 C CD . LYS 156 1276 ? B -20.565 -20.858 -6.163 1.000 2 B 39.551 1 ATOM 1814 C CE . LYS 156 1276 ? B -21.172 -21.556 -4.954 1.000 2 B 39.551 1 ATOM 1815 N NZ . LYS 156 1276 ? B -22.592 -21.149 -4.734 1.000 2 B 39.551 1 ATOM 1816 N N . PRO 157 1277 ? B -15.407 -22.388 -8.806 1.000 2 B 41.534 1 ATOM 1817 C CA . PRO 157 1277 ? B -14.609 -23.247 -9.684 1.000 2 B 41.534 1 ATOM 1818 C C . PRO 157 1277 ? B -15.461 -24.236 -10.476 1.000 2 B 41.534 1 ATOM 1819 O O . PRO 157 1277 ? B -16.459 -24.747 -9.961 1.000 2 B 41.534 1 ATOM 1820 C CB . PRO 157 1277 ? B -13.681 -23.981 -8.712 1.000 2 B 41.534 1 ATOM 1821 C CG . PRO 157 1277 ? B -14.467 -24.094 -7.446 1.000 2 B 41.534 1 ATOM 1822 C CD . PRO 157 1277 ? B -15.709 -23.259 -7.579 1.000 2 B 41.534 1 ATOM 1823 N N . SER 158 1278 ? B -15.913 -23.939 -11.685 1.000 2 B 40.662 1 ATOM 1824 C CA . SER 158 1278 ? B -16.462 -24.763 -12.756 1.000 2 B 40.662 1 ATOM 1825 C C . SER 158 1278 ? B -15.581 -25.978 -13.026 1.000 2 B 40.662 1 ATOM 1826 O O . SER 158 1278 ? B -14.395 -25.836 -13.332 1.000 2 B 40.662 1 ATOM 1827 C CB . SER 158 1278 ? B -16.620 -23.943 -14.037 1.000 2 B 40.662 1 ATOM 1828 O OG . SER 158 1278 ? B -17.957 -23.499 -14.189 1.000 2 B 40.662 1 ATOM 1829 N N . ASP 159 1279 ? B -15.530 -27.037 -12.174 1.000 2 B 40.739 1 ATOM 1830 C CA . ASP 159 1279 ? B -15.228 -28.434 -12.470 1.000 2 B 40.739 1 ATOM 1831 C C . ASP 159 1279 ? B -16.455 -29.155 -13.024 1.000 2 B 40.739 1 ATOM 1832 O O . ASP 159 1279 ? B -17.471 -29.281 -12.336 1.000 2 B 40.739 1 ATOM 1833 C CB . ASP 159 1279 ? B -14.717 -29.150 -11.218 1.000 2 B 40.739 1 ATOM 1834 C CG . ASP 159 1279 ? B -14.149 -30.527 -11.513 1.000 2 B 40.739 1 ATOM 1835 O OD1 . ASP 159 1279 ? B -14.836 -31.538 -11.255 1.000 2 B 40.739 1 ATOM 1836 O OD2 . ASP 159 1279 ? B -13.002 -30.601 -12.005 1.000 2 B 40.739 1 ATOM 1837 N N . ASN 160 1280 ? B -16.874 -28.965 -14.284 1.000 2 B 37.775 1 ATOM 1838 C CA . ASN 160 1280 ? B -17.768 -29.601 -15.246 1.000 2 B 37.775 1 ATOM 1839 C C . ASN 160 1280 ? B -17.230 -30.955 -15.701 1.000 2 B 37.775 1 ATOM 1840 O O . ASN 160 1280 ? B -16.190 -31.026 -16.358 1.000 2 B 37.775 1 ATOM 1841 C CB . ASN 160 1280 ? B -17.996 -28.688 -16.452 1.000 2 B 37.775 1 ATOM 1842 C CG . ASN 160 1280 ? B -19.396 -28.809 -17.020 1.000 2 B 37.775 1 ATOM 1843 O OD1 . ASN 160 1280 ? B -20.374 -28.917 -16.276 1.000 2 B 37.775 1 ATOM 1844 N ND2 . ASN 160 1280 ? B -19.502 -28.791 -18.344 1.000 2 B 37.775 1 ATOM 1845 N N . GLU 161 1281 ? B -17.245 -32.059 -14.908 1.000 2 B 39.501 1 ATOM 1846 C CA . GLU 161 1281 ? B -17.360 -33.432 -15.390 1.000 2 B 39.501 1 ATOM 1847 C C . GLU 161 1281 ? B -18.489 -34.174 -14.679 1.000 2 B 39.501 1 ATOM 1848 O O . GLU 161 1281 ? B -18.649 -34.053 -13.463 1.000 2 B 39.501 1 ATOM 1849 C CB . GLU 161 1281 ? B -16.038 -34.181 -15.201 1.000 2 B 39.501 1 ATOM 1850 C CG . GLU 161 1281 ? B -15.468 -34.077 -13.794 1.000 2 B 39.501 1 ATOM 1851 C CD . GLU 161 1281 ? B -14.050 -34.612 -13.681 1.000 2 B 39.501 1 ATOM 1852 O OE1 . GLU 161 1281 ? B -13.089 -33.821 -13.820 1.000 2 B 39.501 1 ATOM 1853 O OE2 . GLU 161 1281 ? B -13.897 -35.833 -13.451 1.000 2 B 39.501 1 ATOM 1854 N N . GLN 162 1282 ? B -19.750 -34.245 -15.284 1.000 2 B 38.604 1 ATOM 1855 C CA . GLN 162 1282 ? B -20.497 -35.496 -15.363 1.000 2 B 38.604 1 ATOM 1856 C C . GLN 162 1282 ? B -21.985 -35.264 -15.117 1.000 2 B 38.604 1 ATOM 1857 O O . GLN 162 1282 ? B -22.364 -34.602 -14.148 1.000 2 B 38.604 1 ATOM 1858 C CB . GLN 162 1282 ? B -19.951 -36.512 -14.359 1.000 2 B 38.604 1 ATOM 1859 C CG . GLN 162 1282 ? B -18.599 -37.096 -14.748 1.000 2 B 38.604 1 ATOM 1860 C CD . GLN 162 1282 ? B -18.252 -38.347 -13.963 1.000 2 B 38.604 1 ATOM 1861 O OE1 . GLN 162 1282 ? B -18.705 -38.529 -12.828 1.000 2 B 38.604 1 ATOM 1862 N NE2 . GLN 162 1282 ? B -17.444 -39.217 -14.559 1.000 2 B 38.604 1 ATOM 1863 N N . GLY 163 1283 ? B -22.855 -35.174 -16.212 1.000 2 B 37.052 1 ATOM 1864 C CA . GLY 163 1283 ? B -23.865 -36.191 -16.461 1.000 2 B 37.052 1 ATOM 1865 C C . GLY 163 1283 ? B -24.972 -36.200 -15.425 1.000 2 B 37.052 1 ATOM 1866 O O . GLY 163 1283 ? B -24.704 -36.207 -14.222 1.000 2 B 37.052 1 ATOM 1867 N N . LEU 164 1284 ? B -26.090 -35.494 -15.680 1.000 2 B 31.148 1 ATOM 1868 C CA . LEU 164 1284 ? B -27.524 -35.722 -15.540 1.000 2 B 31.148 1 ATOM 1869 C C . LEU 164 1284 ? B -27.848 -36.331 -14.181 1.000 2 B 31.148 1 ATOM 1870 O O . LEU 164 1284 ? B -27.121 -37.201 -13.696 1.000 2 B 31.148 1 ATOM 1871 C CB . LEU 164 1284 ? B -28.033 -36.637 -16.657 1.000 2 B 31.148 1 ATOM 1872 C CG . LEU 164 1284 ? B -27.978 -36.070 -18.077 1.000 2 B 31.148 1 ATOM 1873 C CD1 . LEU 164 1284 ? B -28.355 -37.144 -19.092 1.000 2 B 31.148 1 ATOM 1874 C CD2 . LEU 164 1284 ? B -28.896 -34.860 -18.205 1.000 2 B 31.148 1 ATOM 1875 N N . PRO 165 1285 ? B -29.179 -36.088 -13.711 1.000 2 B 42.608 1 ATOM 1876 C CA . PRO 165 1285 ? B -30.600 -35.895 -14.008 1.000 2 B 42.608 1 ATOM 1877 C C . PRO 165 1285 ? B -31.295 -34.984 -12.998 1.000 2 B 42.608 1 ATOM 1878 O O . PRO 165 1285 ? B -30.729 -34.678 -11.946 1.000 2 B 42.608 1 ATOM 1879 C CB . PRO 165 1285 ? B -31.170 -37.314 -13.945 1.000 2 B 42.608 1 ATOM 1880 C CG . PRO 165 1285 ? B -30.393 -37.990 -12.862 1.000 2 B 42.608 1 ATOM 1881 C CD . PRO 165 1285 ? B -29.303 -37.062 -12.407 1.000 2 B 42.608 1 ATOM 1882 N N . VAL 166 1286 ? B -32.156 -34.010 -13.427 1.000 2 B 34.307 1 ATOM 1883 C CA . VAL 166 1286 ? B -33.592 -33.753 -13.406 1.000 2 B 34.307 1 ATOM 1884 C C . VAL 166 1286 ? B -34.160 -34.107 -12.033 1.000 2 B 34.307 1 ATOM 1885 O O . VAL 166 1286 ? B -33.975 -35.226 -11.548 1.000 2 B 34.307 1 ATOM 1886 C CB . VAL 166 1286 ? B -34.327 -34.548 -14.508 1.000 2 B 34.307 1 ATOM 1887 C CG1 . VAL 166 1286 ? B -35.828 -34.598 -14.228 1.000 2 B 34.307 1 ATOM 1888 C CG2 . VAL 166 1286 ? B -34.058 -33.931 -15.880 1.000 2 B 34.307 1 ATOM 1889 N N . PHE 167 1287 ? B -34.220 -33.240 -11.069 1.000 2 B 42.242 1 ATOM 1890 C CA . PHE 167 1287 ? B -35.264 -33.225 -10.051 1.000 2 B 42.242 1 ATOM 1891 C C . PHE 167 1287 ? B -35.900 -31.844 -9.948 1.000 2 B 42.242 1 ATOM 1892 O O . PHE 167 1287 ? B -35.196 -30.833 -9.900 1.000 2 B 42.242 1 ATOM 1893 C CB . PHE 167 1287 ? B -34.697 -33.645 -8.691 1.000 2 B 42.242 1 ATOM 1894 C CG . PHE 167 1287 ? B -34.699 -35.133 -8.465 1.000 2 B 42.242 1 ATOM 1895 C CD1 . PHE 167 1287 ? B -35.864 -35.791 -8.088 1.000 2 B 42.242 1 ATOM 1896 C CD2 . PHE 167 1287 ? B -33.536 -35.874 -8.630 1.000 2 B 42.242 1 ATOM 1897 C CE1 . PHE 167 1287 ? B -35.869 -37.168 -7.879 1.000 2 B 42.242 1 ATOM 1898 C CE2 . PHE 167 1287 ? B -33.534 -37.250 -8.422 1.000 2 B 42.242 1 ATOM 1899 C CZ . PHE 167 1287 ? B -34.701 -37.895 -8.045 1.000 2 B 42.242 1 ATOM 1900 N N . SER 168 1288 ? B -36.986 -31.588 -10.661 1.000 2 B 41.151 1 ATOM 1901 C CA . SER 168 1288 ? B -38.385 -31.327 -10.339 1.000 2 B 41.151 1 ATOM 1902 C C . SER 168 1288 ? B -38.527 -30.701 -8.956 1.000 2 B 41.151 1 ATOM 1903 O O . SER 168 1288 ? B -38.267 -31.355 -7.944 1.000 2 B 41.151 1 ATOM 1904 C CB . SER 168 1288 ? B -39.202 -32.617 -10.411 1.000 2 B 41.151 1 ATOM 1905 O OG . SER 168 1288 ? B -39.665 -32.847 -11.730 1.000 2 B 41.151 1 ATOM 1906 N N . GLY 169 1289 ? B -38.479 -29.426 -8.719 1.000 2 B 44.297 1 ATOM 1907 C CA . GLY 169 1289 ? B -39.369 -28.970 -7.663 1.000 2 B 44.297 1 ATOM 1908 C C . GLY 169 1289 ? B -39.911 -27.573 -7.900 1.000 2 B 44.297 1 ATOM 1909 O O . GLY 169 1289 ? B -39.152 -26.651 -8.207 1.000 2 B 44.297 1 ATOM 1910 N N . SER 170 1290 ? B -40.928 -27.345 -8.760 1.000 2 B 38.130 1 ATOM 1911 C CA . SER 170 1290 ? B -42.091 -26.464 -8.725 1.000 2 B 38.130 1 ATOM 1912 C C . SER 170 1290 ? B -42.402 -26.015 -7.301 1.000 2 B 38.130 1 ATOM 1913 O O . SER 170 1290 ? B -42.296 -26.804 -6.359 1.000 2 B 38.130 1 ATOM 1914 C CB . SER 170 1290 ? B -43.312 -27.162 -9.326 1.000 2 B 38.130 1 ATOM 1915 O OG . SER 170 1290 ? B -44.366 -26.239 -9.538 1.000 2 B 38.130 1 ATOM 1916 N N . PRO 171 1291 ? B -43.403 -24.915 -7.066 1.000 2 B 50.386 1 ATOM 1917 C CA . PRO 171 1291 ? B -43.444 -23.511 -6.649 1.000 2 B 50.386 1 ATOM 1918 C C . PRO 171 1291 ? B -44.117 -23.318 -5.292 1.000 2 B 50.386 1 ATOM 1919 O O . PRO 171 1291 ? B -44.832 -24.206 -4.822 1.000 2 B 50.386 1 ATOM 1920 C CB . PRO 171 1291 ? B -44.252 -22.837 -7.760 1.000 2 B 50.386 1 ATOM 1921 C CG . PRO 171 1291 ? B -45.262 -23.858 -8.171 1.000 2 B 50.386 1 ATOM 1922 C CD . PRO 171 1291 ? B -44.990 -25.129 -7.418 1.000 2 B 50.386 1 ATOM 1923 N N . PRO 172 1292 ? B -44.126 -22.021 -4.601 1.000 2 B 49.179 1 ATOM 1924 C CA . PRO 172 1292 ? B -45.331 -21.494 -3.957 1.000 2 B 49.179 1 ATOM 1925 C C . PRO 172 1292 ? B -45.647 -20.061 -4.379 1.000 2 B 49.179 1 ATOM 1926 O O . PRO 172 1292 ? B -44.734 -19.286 -4.679 1.000 2 B 49.179 1 ATOM 1927 C CB . PRO 172 1292 ? B -44.992 -21.562 -2.465 1.000 2 B 49.179 1 ATOM 1928 C CG . PRO 172 1292 ? B -43.510 -21.378 -2.402 1.000 2 B 49.179 1 ATOM 1929 C CD . PRO 172 1292 ? B -42.962 -21.440 -3.798 1.000 2 B 49.179 1 ATOM 1930 N N . MET 173 1293 ? B -46.637 -19.726 -5.226 1.000 2 B 37.482 1 ATOM 1931 C CA . MET 173 1293 ? B -47.864 -18.936 -5.268 1.000 2 B 37.482 1 ATOM 1932 C C . MET 173 1293 ? B -48.192 -18.367 -3.892 1.000 2 B 37.482 1 ATOM 1933 O O . MET 173 1293 ? B -48.193 -19.095 -2.898 1.000 2 B 37.482 1 ATOM 1934 C CB . MET 173 1293 ? B -49.032 -19.783 -5.775 1.000 2 B 37.482 1 ATOM 1935 C CG . MET 173 1293 ? B -48.747 -20.500 -7.085 1.000 2 B 37.482 1 ATOM 1936 S SD . MET 173 1293 ? B -50.012 -20.152 -8.367 1.000 2 B 37.482 1 ATOM 1937 C CE . MET 173 1293 ? B -48.980 -19.352 -9.627 1.000 2 B 37.482 1 ATOM 1938 N N . LYS 174 1294 ? B -48.138 -17.038 -3.726 1.000 2 B 44.696 1 ATOM 1939 C CA . LYS 174 1294 ? B -49.087 -16.222 -2.974 1.000 2 B 44.696 1 ATOM 1940 C C . LYS 174 1294 ? B -49.328 -14.883 -3.665 1.000 2 B 44.696 1 ATOM 1941 O O . LYS 174 1294 ? B -48.379 -14.199 -4.054 1.000 2 B 44.696 1 ATOM 1942 C CB . LYS 174 1294 ? B -48.587 -15.993 -1.547 1.000 2 B 44.696 1 ATOM 1943 C CG . LYS 174 1294 ? B -47.165 -15.457 -1.468 1.000 2 B 44.696 1 ATOM 1944 C CD . LYS 174 1294 ? B -46.782 -15.098 -0.038 1.000 2 B 44.696 1 ATOM 1945 C CE . LYS 174 1294 ? B -45.382 -14.505 0.035 1.000 2 B 44.696 1 ATOM 1946 N NZ . LYS 174 1294 ? B -44.408 -15.457 0.649 1.000 2 B 44.696 1 ATOM 1947 N N . SER 175 1295 ? B -50.312 -14.730 -4.523 1.000 2 B 32.503 1 ATOM 1948 C CA . SER 175 1295 ? B -51.621 -14.133 -4.769 1.000 2 B 32.503 1 ATOM 1949 C C . SER 175 1295 ? B -52.163 -13.454 -3.515 1.000 2 B 32.503 1 ATOM 1950 O O . SER 175 1295 ? B -52.080 -14.009 -2.418 1.000 2 B 32.503 1 ATOM 1951 C CB . SER 175 1295 ? B -52.611 -15.193 -5.253 1.000 2 B 32.503 1 ATOM 1952 O OG . SER 175 1295 ? B -52.430 -15.457 -6.634 1.000 2 B 32.503 1 ATOM 1953 N N . LEU 176 1296 ? B -52.356 -12.084 -3.516 1.000 2 B 45.333 1 ATOM 1954 C CA . LEU 176 1296 ? B -53.590 -11.352 -3.250 1.000 2 B 45.333 1 ATOM 1955 C C . LEU 176 1296 ? B -53.317 -9.858 -3.114 1.000 2 B 45.333 1 ATOM 1956 O O . LEU 176 1296 ? B -52.411 -9.452 -2.384 1.000 2 B 45.333 1 ATOM 1957 C CB . LEU 176 1296 ? B -54.262 -11.877 -1.978 1.000 2 B 45.333 1 ATOM 1958 C CG . LEU 176 1296 ? B -54.649 -13.357 -1.978 1.000 2 B 45.333 1 ATOM 1959 C CD1 . LEU 176 1296 ? B -54.888 -13.842 -0.552 1.000 2 B 45.333 1 ATOM 1960 C CD2 . LEU 176 1296 ? B -55.886 -13.586 -2.841 1.000 2 B 45.333 1 ATOM 1961 N N . SER 177 1297 ? B -53.837 -8.951 -4.036 1.000 2 B 37.374 1 ATOM 1962 C CA . SER 177 1297 ? B -55.039 -8.123 -4.020 1.000 2 B 37.374 1 ATOM 1963 C C . SER 177 1297 ? B -54.693 -6.643 -4.139 1.000 2 B 37.374 1 ATOM 1964 O O . SER 177 1297 ? B -53.839 -6.139 -3.406 1.000 2 B 37.374 1 ATOM 1965 C CB . SER 177 1297 ? B -55.841 -8.367 -2.741 1.000 2 B 37.374 1 ATOM 1966 O OG . SER 177 1297 ? B -56.445 -9.649 -2.763 1.000 2 B 37.374 1 ATOM 1967 N N . SER 178 1298 ? B -54.908 -5.963 -5.259 1.000 2 B 30.938 1 ATOM 1968 C CA . SER 178 1298 ? B -55.811 -5.007 -5.893 1.000 2 B 30.938 1 ATOM 1969 C C . SER 178 1298 ? B -56.436 -4.071 -4.864 1.000 2 B 30.938 1 ATOM 1970 O O . SER 178 1298 ? B -56.851 -4.509 -3.790 1.000 2 B 30.938 1 ATOM 1971 C CB . SER 178 1298 ? B -56.911 -5.738 -6.664 1.000 2 B 30.938 1 ATOM 1972 O OG . SER 178 1298 ? B -57.157 -7.015 -6.100 1.000 2 B 30.938 1 ATOM 1973 N N . THR 179 1299 ? B -56.175 -2.730 -4.944 1.000 2 B 38.863 1 ATOM 1974 C CA . THR 179 1299 ? B -57.200 -1.695 -4.884 1.000 2 B 38.863 1 ATOM 1975 C C . THR 179 1299 ? B -56.568 -0.306 -4.895 1.000 2 B 38.863 1 ATOM 1976 O O . THR 179 1299 ? B -55.632 -0.038 -4.139 1.000 2 B 38.863 1 ATOM 1977 C CB . THR 179 1299 ? B -58.080 -1.851 -3.629 1.000 2 B 38.863 1 ATOM 1978 O OG1 . THR 179 1299 ? B -59.422 -1.458 -3.942 1.000 2 B 38.863 1 ATOM 1979 C CG2 . THR 179 1299 ? B -57.562 -0.987 -2.484 1.000 2 B 38.863 1 ATOM 1980 N N . SER 180 1300 ? B -56.690 0.428 -6.016 1.000 2 B 30.465 1 ATOM 1981 C CA . SER 180 1300 ? B -57.524 1.504 -6.541 1.000 2 B 30.465 1 ATOM 1982 C C . SER 180 1300 ? B -57.124 2.852 -5.949 1.000 2 B 30.465 1 ATOM 1983 O O . SER 180 1300 ? B -56.847 2.953 -4.752 1.000 2 B 30.465 1 ATOM 1984 C CB . SER 180 1300 ? B -59.000 1.229 -6.251 1.000 2 B 30.465 1 ATOM 1985 O OG . SER 180 1300 ? B -59.190 0.888 -4.888 1.000 2 B 30.465 1 ATOM 1986 N N . ALA 181 1301 ? B -56.873 3.884 -6.803 1.000 2 B 38.997 1 ATOM 1987 C CA . ALA 181 1301 ? B -57.638 5.064 -7.198 1.000 2 B 38.997 1 ATOM 1988 C C . ALA 181 1301 ? B -56.883 6.346 -6.860 1.000 2 B 38.997 1 ATOM 1989 O O . ALA 181 1301 ? B -56.437 6.530 -5.725 1.000 2 B 38.997 1 ATOM 1990 C CB . ALA 181 1301 ? B -59.007 5.062 -6.520 1.000 2 B 38.997 1 ATOM 1991 N N . GLY 182 1302 ? B -56.395 7.042 -7.908 1.000 2 B 35.479 1 ATOM 1992 C CA . GLY 182 1302 ? B -56.914 8.345 -8.295 1.000 2 B 35.479 1 ATOM 1993 C C . GLY 182 1302 ? B -55.999 9.491 -7.904 1.000 2 B 35.479 1 ATOM 1994 O O . GLY 182 1302 ? B -55.549 9.569 -6.759 1.000 2 B 35.479 1 ATOM 1995 N N . GLY 183 1303 ? B -55.331 10.195 -8.923 1.000 2 B 35.243 1 ATOM 1996 C CA . GLY 183 1303 ? B -55.606 11.535 -9.418 1.000 2 B 35.243 1 ATOM 1997 C C . GLY 183 1303 ? B -54.590 12.562 -8.956 1.000 2 B 35.243 1 ATOM 1998 O O . GLY 183 1303 ? B -54.104 12.497 -7.824 1.000 2 B 35.243 1 ATOM 1999 N N . LYS 184 1304 ? B -53.785 13.202 -9.903 1.000 2 B 39.965 1 ATOM 2000 C CA . LYS 184 1304 ? B -53.710 14.505 -10.559 1.000 2 B 39.965 1 ATOM 2001 C C . LYS 184 1304 ? B -52.757 15.439 -9.818 1.000 2 B 39.965 1 ATOM 2002 O O . LYS 184 1304 ? B -52.814 15.546 -8.591 1.000 2 B 39.965 1 ATOM 2003 C CB . LYS 184 1304 ? B -55.098 15.139 -10.653 1.000 2 B 39.965 1 ATOM 2004 C CG . LYS 184 1304 ? B -56.204 14.306 -10.022 1.000 2 B 39.965 1 ATOM 2005 C CD . LYS 184 1304 ? B -57.581 14.879 -10.332 1.000 2 B 39.965 1 ATOM 2006 C CE . LYS 184 1304 ? B -58.663 13.811 -10.247 1.000 2 B 39.965 1 ATOM 2007 N NZ . LYS 184 1304 ? B -59.983 14.320 -10.727 1.000 2 B 39.965 1 ATOM 2008 N N . LYS 185 1305 ? B -51.631 15.904 -10.478 1.000 2 B 37.916 1 ATOM 2009 C CA . LYS 185 1305 ? B -51.240 17.211 -10.997 1.000 2 B 37.916 1 ATOM 2010 C C . LYS 185 1305 ? B -50.463 18.007 -9.953 1.000 2 B 37.916 1 ATOM 2011 O O . LYS 185 1305 ? B -50.900 18.131 -8.807 1.000 2 B 37.916 1 ATOM 2012 C CB . LYS 185 1305 ? B -52.471 18.000 -11.448 1.000 2 B 37.916 1 ATOM 2013 C CG . LYS 185 1305 ? B -53.143 17.440 -12.693 1.000 2 B 37.916 1 ATOM 2014 C CD . LYS 185 1305 ? B -54.127 18.437 -13.293 1.000 2 B 37.916 1 ATOM 2015 C CE . LYS 185 1305 ? B -54.666 17.954 -14.632 1.000 2 B 37.916 1 ATOM 2016 N NZ . LYS 185 1305 ? B -55.633 18.926 -15.224 1.000 2 B 37.916 1 ATOM 2017 N N . GLN 186 1306 ? B -49.170 18.339 -10.174 1.000 2 B 38.016 1 ATOM 2018 C CA . GLN 186 1306 ? B -48.645 19.690 -10.343 1.000 2 B 38.016 1 ATOM 2019 C C . GLN 186 1306 ? B -47.645 20.034 -9.242 1.000 2 B 38.016 1 ATOM 2020 O O . GLN 186 1306 ? B -47.939 19.869 -8.056 1.000 2 B 38.016 1 ATOM 2021 C CB . GLN 186 1306 ? B -49.783 20.712 -10.356 1.000 2 B 38.016 1 ATOM 2022 C CG . GLN 186 1306 ? B -49.391 22.062 -10.939 1.000 2 B 38.016 1 ATOM 2023 C CD . GLN 186 1306 ? B -50.567 23.012 -11.064 1.000 2 B 38.016 1 ATOM 2024 O OE1 . GLN 186 1306 ? B -51.710 22.585 -11.256 1.000 2 B 38.016 1 ATOM 2025 N NE2 . GLN 186 1306 ? B -50.297 24.309 -10.956 1.000 2 B 38.016 1 ATOM 2026 N N . ALA 187 1307 ? B -46.382 20.127 -9.538 1.000 2 B 39.489 1 ATOM 2027 C CA . ALA 187 1307 ? B -45.577 21.346 -9.499 1.000 2 B 39.489 1 ATOM 2028 C C . ALA 187 1307 ? B -44.297 21.133 -8.696 1.000 2 B 39.489 1 ATOM 2029 O O . ALA 187 1307 ? B -44.338 20.619 -7.576 1.000 2 B 39.489 1 ATOM 2030 C CB . ALA 187 1307 ? B -46.386 22.499 -8.910 1.000 2 B 39.489 1 ATOM 2031 N N . GLN 188 1308 ? B -43.156 20.905 -9.363 1.000 2 B 36.784 1 ATOM 2032 C CA . GLN 188 1308 ? B -41.791 21.420 -9.392 1.000 2 B 36.784 1 ATOM 2033 C C . GLN 188 1308 ? B -41.457 22.167 -8.104 1.000 2 B 36.784 1 ATOM 2034 O O . GLN 188 1308 ? B -42.204 23.052 -7.682 1.000 2 B 36.784 1 ATOM 2035 C CB . GLN 188 1308 ? B -41.589 22.337 -10.599 1.000 2 B 36.784 1 ATOM 2036 C CG . GLN 188 1308 ? B -40.896 21.663 -11.775 1.000 2 B 36.784 1 ATOM 2037 C CD . GLN 188 1308 ? B -39.397 21.535 -11.579 1.000 2 B 36.784 1 ATOM 2038 O OE1 . GLN 188 1308 ? B -38.750 22.435 -11.035 1.000 2 B 36.784 1 ATOM 2039 N NE2 . GLN 188 1308 ? B -38.835 20.415 -12.022 1.000 2 B 36.784 1 ATOM 2040 N N . PRO 189 1309 ? B -40.418 21.834 -7.375 1.000 2 B 49.518 1 ATOM 2041 C CA . PRO 189 1309 ? B -39.639 22.918 -6.772 1.000 2 B 49.518 1 ATOM 2042 C C . PRO 189 1309 ? B -38.133 22.711 -6.913 1.000 2 B 49.518 1 ATOM 2043 O O . PRO 189 1309 ? B -37.671 21.573 -7.036 1.000 2 B 49.518 1 ATOM 2044 C CB . PRO 189 1309 ? B -40.060 22.879 -5.301 1.000 2 B 49.518 1 ATOM 2045 C CG . PRO 189 1309 ? B -40.291 21.432 -5.008 1.000 2 B 49.518 1 ATOM 2046 C CD . PRO 189 1309 ? B -40.160 20.659 -6.288 1.000 2 B 49.518 1 ATOM 2047 N N . SER 190 1310 ? B -37.431 23.484 -7.875 1.000 2 B 42.418 1 ATOM 2048 C CA . SER 190 1310 ? B -36.400 24.516 -7.906 1.000 2 B 42.418 1 ATOM 2049 C C . SER 190 1310 ? B -35.464 24.399 -6.708 1.000 2 B 42.418 1 ATOM 2050 O O . SER 190 1310 ? B -35.918 24.285 -5.567 1.000 2 B 42.418 1 ATOM 2051 C CB . SER 190 1310 ? B -37.035 25.907 -7.932 1.000 2 B 42.418 1 ATOM 2052 O OG . SER 190 1310 ? B -36.041 26.915 -7.865 1.000 2 B 42.418 1 ATOM 2053 N N . CYS 191 1311 ? B -34.260 23.886 -6.975 1.000 2 B 38.787 1 ATOM 2054 C CA . CYS 191 1311 ? B -32.804 23.972 -6.949 1.000 2 B 38.787 1 ATOM 2055 C C . CYS 191 1311 ? B -32.345 25.238 -6.234 1.000 2 B 38.787 1 ATOM 2056 O O . CYS 191 1311 ? B -32.799 26.337 -6.557 1.000 2 B 38.787 1 ATOM 2057 C CB . CYS 191 1311 ? B -32.240 23.945 -8.369 1.000 2 B 38.787 1 ATOM 2058 S SG . CYS 191 1311 ? B -30.758 22.927 -8.545 1.000 2 B 38.787 1 ATOM 2059 N N . ALA 192 1312 ? B -32.051 25.293 -4.950 1.000 2 B 48.468 1 ATOM 2060 C CA . ALA 192 1312 ? B -31.224 26.339 -4.353 1.000 2 B 48.468 1 ATOM 2061 C C . ALA 192 1312 ? B -29.971 25.748 -3.712 1.000 2 B 48.468 1 ATOM 2062 O O . ALA 192 1312 ? B -30.060 24.839 -2.883 1.000 2 B 48.468 1 ATOM 2063 C CB . ALA 192 1312 ? B -32.025 27.127 -3.320 1.000 2 B 48.468 1 ATOM 2064 N N . PRO 193 1313 ? B -28.740 26.205 -4.172 1.000 2 B 43.096 1 ATOM 2065 C CA . PRO 193 1313 ? B -27.420 26.053 -3.554 1.000 2 B 43.096 1 ATOM 2066 C C . PRO 193 1313 ? B -26.903 27.351 -2.939 1.000 2 B 43.096 1 ATOM 2067 O O . PRO 193 1313 ? B -27.248 28.440 -3.407 1.000 2 B 43.096 1 ATOM 2068 C CB . PRO 193 1313 ? B -26.534 25.610 -4.721 1.000 2 B 43.096 1 ATOM 2069 C CG . PRO 193 1313 ? B -27.087 26.323 -5.913 1.000 2 B 43.096 1 ATOM 2070 C CD . PRO 193 1313 ? B -28.341 27.040 -5.500 1.000 2 B 43.096 1 ATOM 2071 N N . ALA 194 1314 ? B -26.893 27.496 -1.590 1.000 2 B 43.079 1 ATOM 2072 C CA . ALA 194 1314 ? B -26.062 28.587 -1.087 1.000 2 B 43.079 1 ATOM 2073 C C . ALA 194 1314 ? B -25.829 28.451 0.415 1.000 2 B 43.079 1 ATOM 2074 O O . ALA 194 1314 ? B -26.781 28.313 1.187 1.000 2 B 43.079 1 ATOM 2075 C CB . ALA 194 1314 ? B -26.705 29.935 -1.403 1.000 2 B 43.079 1 ATOM 2076 N N . SER 195 1315 ? B -24.615 28.057 0.824 1.000 2 B 57.172 1 ATOM 2077 C CA . SER 195 1315 ? B -24.371 28.647 2.136 1.000 2 B 57.172 1 ATOM 2078 C C . SER 195 1315 ? B -22.881 28.864 2.378 1.000 2 B 57.172 1 ATOM 2079 O O . SER 195 1315 ? B -22.095 27.915 2.331 1.000 2 B 57.172 1 ATOM 2080 C CB . SER 195 1315 ? B -24.951 27.760 3.239 1.000 2 B 57.172 1 ATOM 2081 O OG . SER 195 1315 ? B -24.692 28.314 4.518 1.000 2 B 57.172 1 ATOM 2082 N N . ARG 196 1316 ? B -22.180 29.862 1.871 1.000 2 B 50.443 1 ATOM 2083 C CA . ARG 196 1316 ? B -21.006 30.659 2.209 1.000 2 B 50.443 1 ATOM 2084 C C . ARG 196 1316 ? B -21.014 31.048 3.683 1.000 2 B 50.443 1 ATOM 2085 O O . ARG 196 1316 ? B -22.061 31.392 4.234 1.000 2 B 50.443 1 ATOM 2086 C CB . ARG 196 1316 ? B -20.939 31.914 1.336 1.000 2 B 50.443 1 ATOM 2087 C CG . ARG 196 1316 ? B -20.710 31.627 -0.139 1.000 2 B 50.443 1 ATOM 2088 C CD . ARG 196 1316 ? B -20.558 32.909 -0.946 1.000 2 B 50.443 1 ATOM 2089 N NE . ARG 196 1316 ? B -20.349 32.632 -2.364 1.000 2 B 50.443 1 ATOM 2090 C CZ . ARG 196 1316 ? B -19.297 33.040 -3.069 1.000 2 B 50.443 1 ATOM 2091 N NH1 . ARG 196 1316 ? B -18.334 33.754 -2.498 1.000 2 B 50.443 1 ATOM 2092 N NH2 . ARG 196 1316 ? B -19.207 32.731 -4.355 1.000 2 B 50.443 1 ATOM 2093 N N . PRO 197 1317 ? B -19.905 30.988 4.444 1.000 2 B 47.327 1 ATOM 2094 C CA . PRO 197 1317 ? B -19.819 31.406 5.845 1.000 2 B 47.327 1 ATOM 2095 C C . PRO 197 1317 ? B -19.392 32.863 6.001 1.000 2 B 47.327 1 ATOM 2096 O O . PRO 197 1317 ? B -18.723 33.412 5.121 1.000 2 B 47.327 1 ATOM 2097 C CB . PRO 197 1317 ? B -18.767 30.462 6.431 1.000 2 B 47.327 1 ATOM 2098 C CG . PRO 197 1317 ? B -17.943 30.034 5.260 1.000 2 B 47.327 1 ATOM 2099 C CD . PRO 197 1317 ? B -18.626 30.491 4.003 1.000 2 B 47.327 1 ATOM 2100 N N . PRO 198 1318 ? B -20.020 33.658 6.996 1.000 2 B 50.591 1 ATOM 2101 C CA . PRO 198 1318 ? B -20.169 35.081 7.314 1.000 2 B 50.591 1 ATOM 2102 C C . PRO 198 1318 ? B -18.910 35.681 7.935 1.000 2 B 50.591 1 ATOM 2103 O O . PRO 198 1318 ? B -18.155 34.978 8.612 1.000 2 B 50.591 1 ATOM 2104 C CB . PRO 198 1318 ? B -21.331 35.099 8.310 1.000 2 B 50.591 1 ATOM 2105 C CG . PRO 198 1318 ? B -21.200 33.822 9.075 1.000 2 B 50.591 1 ATOM 2106 C CD . PRO 198 1318 ? B -20.174 32.962 8.394 1.000 2 B 50.591 1 ATOM 2107 N N . ALA 199 1319 ? B -18.246 36.573 7.206 1.000 2 B 36.998 1 ATOM 2108 C CA . ALA 199 1319 ? B -17.728 37.936 7.282 1.000 2 B 36.998 1 ATOM 2109 C C . ALA 199 1319 ? B -17.989 38.547 8.656 1.000 2 B 36.998 1 ATOM 2110 O O . ALA 199 1319 ? B -19.083 38.407 9.206 1.000 2 B 36.998 1 ATOM 2111 C CB . ALA 199 1319 ? B -18.351 38.803 6.190 1.000 2 B 36.998 1 ATOM 2112 N N . LYS 200 1320 ? B -16.939 38.507 9.581 1.000 2 B 37.332 1 ATOM 2113 C CA . LYS 200 1320 ? B -16.425 39.487 10.534 1.000 2 B 37.332 1 ATOM 2114 C C . LYS 200 1320 ? B -15.561 38.818 11.598 1.000 2 B 37.332 1 ATOM 2115 O O . LYS 200 1320 ? B -15.969 37.824 12.203 1.000 2 B 37.332 1 ATOM 2116 C CB . LYS 200 1320 ? B -17.575 40.248 11.195 1.000 2 B 37.332 1 ATOM 2117 C CG . LYS 200 1320 ? B -17.972 41.524 10.467 1.000 2 B 37.332 1 ATOM 2118 C CD . LYS 200 1320 ? B -19.224 42.146 11.072 1.000 2 B 37.332 1 ATOM 2119 C CE . LYS 200 1320 ? B -19.578 43.464 10.396 1.000 2 B 37.332 1 ATOM 2120 N NZ . LYS 200 1320 ? B -20.869 44.017 10.902 1.000 2 B 37.332 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-t3vr3-579 https://modelarchive.org/api/projects/ma-t3vr3-579?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-t3vr3-579_predicted_aligned_error_v1.cif cif 'local pairwise QA scores' 'Predicted aligned error and contact probability' . 2 1 P42568-D4_Q6W2J9-D8.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 56.236 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 73.983 2 1 A 2 ALA 2 85.872 3 1 A 3 TYR 2 86.353 4 1 A 4 LEU 2 86.608 5 1 A 5 ASP 2 88.988 6 1 A 6 GLU 2 90.607 7 1 A 7 LEU 2 91.431 8 1 A 8 VAL 2 91.309 9 1 A 9 GLU 2 91.318 10 1 A 10 LEU 2 92.179 11 1 A 11 HIS 2 91.726 12 1 A 12 ARG 2 91.144 13 1 A 13 ARG 2 91.223 14 1 A 14 LEU 2 91.397 15 1 A 15 MET 2 89.683 16 1 A 16 THR 2 88.819 17 1 A 17 LEU 2 87.907 18 1 A 18 ARG 2 86.519 19 1 A 19 GLU 2 88.234 20 1 A 20 ARG 2 86.600 21 1 A 21 HIS 2 87.349 22 1 A 22 ILE 2 90.013 23 1 A 23 LEU 2 89.882 24 1 A 24 GLN 2 88.508 25 1 A 25 GLN 2 90.971 26 1 A 26 ILE 2 90.738 27 1 A 27 VAL 2 89.580 28 1 A 28 ASN 2 89.331 29 1 A 29 LEU 2 91.232 30 1 A 30 ILE 2 88.726 31 1 A 31 GLU 2 86.905 32 1 A 32 GLU 2 88.257 33 1 A 33 THR 2 85.950 34 1 A 34 GLY 2 82.039 35 1 A 35 HIS 2 77.151 36 1 A 36 PHE 2 83.064 37 1 A 37 HIS 2 80.496 38 1 A 38 ILE 2 81.776 39 1 A 39 THR 2 79.147 40 1 A 40 ASN 2 71.997 41 1 A 41 THR 2 77.193 42 1 A 42 THR 2 84.743 43 1 A 43 PHE 2 85.279 44 1 A 44 ASP 2 89.208 45 1 A 45 PHE 2 88.881 46 1 A 46 ASP 2 90.863 47 1 A 47 LEU 2 89.841 48 1 A 48 CYS 2 88.339 49 1 A 49 SER 2 88.646 50 1 A 50 LEU 2 89.008 51 1 A 51 ASP 2 91.809 52 1 A 52 LYS 2 91.166 53 1 A 53 THR 2 92.156 54 1 A 54 THR 2 91.485 55 1 A 55 VAL 2 91.862 56 1 A 56 ARG 2 92.579 57 1 A 57 LYS 2 93.069 58 1 A 58 LEU 2 92.811 59 1 A 59 GLN 2 92.224 60 1 A 60 SER 2 92.340 61 1 A 61 TYR 2 90.998 62 1 A 62 LEU 2 89.547 63 1 A 63 GLU 2 86.905 64 1 A 64 THR 2 80.747 65 1 A 65 SER 2 73.539 66 1 A 66 GLY 2 62.191 67 1 A 67 THR 2 47.447 68 1 A 68 SER 2 36.359 69 1 B 1 ALA 2 44.859 70 1 B 2 SER 2 37.751 71 1 B 3 ASP 2 34.406 72 1 B 4 MET 2 43.378 73 1 B 5 PRO 2 43.994 74 1 B 6 HIS 2 43.532 75 1 B 7 SER 2 38.754 76 1 B 8 PRO 2 46.172 77 1 B 9 THR 2 36.792 78 1 B 10 LEU 2 43.909 79 1 B 11 ARG 2 40.854 80 1 B 12 VAL 2 37.392 81 1 B 13 ASP 2 40.295 82 1 B 14 ARG 2 38.991 83 1 B 15 LYS 2 49.386 84 1 B 16 ARG 2 39.031 85 1 B 17 LYS 2 48.809 86 1 B 18 VAL 2 35.451 87 1 B 19 SER 2 40.547 88 1 B 20 GLY 2 36.376 89 1 B 21 ASP 2 32.565 90 1 B 22 SER 2 36.126 91 1 B 23 SER 2 31.615 92 1 B 24 HIS 2 30.793 93 1 B 25 THR 2 35.045 94 1 B 26 GLU 2 29.948 95 1 B 27 THR 2 37.815 96 1 B 28 THR 2 31.822 97 1 B 29 ALA 2 35.981 98 1 B 30 GLU 2 42.113 99 1 B 31 GLU 2 31.046 100 1 B 32 VAL 2 47.706 101 1 B 33 PRO 2 45.544 102 1 B 34 GLU 2 36.709 103 1 B 35 ASP 2 41.445 104 1 B 36 PRO 2 51.303 105 1 B 37 LEU 2 46.784 106 1 B 38 LEU 2 47.488 107 1 B 39 LYS 2 43.391 108 1 B 40 ALA 2 47.959 109 1 B 41 LYS 2 42.653 110 1 B 42 ARG 2 41.798 111 1 B 43 ARG 2 46.857 112 1 B 44 ARG 2 43.579 113 1 B 45 VAL 2 47.874 114 1 B 46 SER 2 43.722 115 1 B 47 LYS 2 46.596 116 1 B 48 ASP 2 42.159 117 1 B 49 ASP 2 44.524 118 1 B 50 TRP 2 39.746 119 1 B 51 PRO 2 47.433 120 1 B 52 GLU 2 48.916 121 1 B 53 ARG 2 52.213 122 1 B 54 GLU 2 45.153 123 1 B 55 MET 2 46.634 124 1 B 56 THR 2 45.197 125 1 B 57 ASN 2 41.390 126 1 B 58 SER 2 43.596 127 1 B 59 SER 2 47.995 128 1 B 60 SER 2 47.612 129 1 B 61 ASN 2 41.310 130 1 B 62 HIS 2 45.039 131 1 B 63 LEU 2 51.084 132 1 B 64 GLU 2 49.626 133 1 B 65 ASP 2 54.092 134 1 B 66 PRO 2 59.923 135 1 B 67 HIS 2 55.572 136 1 B 68 TYR 2 53.515 137 1 B 69 SER 2 60.008 138 1 B 70 GLU 2 66.101 139 1 B 71 LEU 2 66.127 140 1 B 72 THR 2 70.303 141 1 B 73 ASN 2 77.269 142 1 B 74 LEU 2 87.776 143 1 B 75 LYS 2 89.848 144 1 B 76 VAL 2 89.503 145 1 B 77 CYS 2 88.874 146 1 B 78 ILE 2 85.223 147 1 B 79 GLU 2 86.617 148 1 B 80 LEU 2 75.696 149 1 B 81 THR 2 70.365 150 1 B 82 GLY 2 65.296 151 1 B 83 LEU 2 61.132 152 1 B 84 HIS 2 56.354 153 1 B 85 PRO 2 57.041 154 1 B 86 LYS 2 61.047 155 1 B 87 LYS 2 54.164 156 1 B 88 GLN 2 51.390 157 1 B 89 ARG 2 55.111 158 1 B 90 HIS 2 56.912 159 1 B 91 LEU 2 59.039 160 1 B 92 LEU 2 65.907 161 1 B 93 HIS 2 66.789 162 1 B 94 LEU 2 64.755 163 1 B 95 ARG 2 68.842 164 1 B 96 GLU 2 71.621 165 1 B 97 ARG 2 65.747 166 1 B 98 TRP 2 59.947 167 1 B 99 GLU 2 71.417 168 1 B 100 GLN 2 65.841 169 1 B 101 GLN 2 61.027 170 1 B 102 VAL 2 55.414 171 1 B 103 SER 2 56.550 172 1 B 104 ALA 2 53.290 173 1 B 105 ALA 2 50.784 174 1 B 106 ASP 2 45.055 175 1 B 107 GLY 2 44.876 176 1 B 108 LYS 2 39.686 177 1 B 109 PRO 2 44.230 178 1 B 110 GLY 2 39.856 179 1 B 111 ARG 2 36.009 180 1 B 112 GLN 2 35.747 181 1 B 113 SER 2 41.056 182 1 B 114 ARG 2 41.960 183 1 B 115 LYS 2 41.474 184 1 B 116 GLU 2 41.725 185 1 B 117 VAL 2 36.669 186 1 B 118 THR 2 40.790 187 1 B 119 GLN 2 30.508 188 1 B 120 ALA 2 35.066 189 1 B 121 THR 2 32.091 190 1 B 122 GLN 2 25.037 191 1 B 123 PRO 2 37.146 192 1 B 124 GLU 2 32.321 193 1 B 125 ALA 2 39.298 194 1 B 126 ILE 2 38.101 195 1 B 127 PRO 2 43.762 196 1 B 128 GLN 2 31.674 197 1 B 129 GLY 2 31.755 198 1 B 130 THR 2 33.878 199 1 B 131 ASN 2 40.174 200 1 B 132 ILE 2 38.300 201 1 B 133 THR 2 48.825 202 1 B 134 GLU 2 36.323 203 1 B 135 GLU 2 43.684 204 1 B 136 LYS 2 41.621 205 1 B 137 PRO 2 45.528 206 1 B 138 GLY 2 34.422 207 1 B 139 ARG 2 45.080 208 1 B 140 LYS 2 42.139 209 1 B 141 ARG 2 47.722 210 1 B 142 ALA 2 40.079 211 1 B 143 GLU 2 42.535 212 1 B 144 ALA 2 43.258 213 1 B 145 LYS 2 46.327 214 1 B 146 GLY 2 42.406 215 1 B 147 ASN 2 42.025 216 1 B 148 ARG 2 49.117 217 1 B 149 SER 2 48.710 218 1 B 150 TRP 2 34.736 219 1 B 151 SER 2 41.760 220 1 B 152 GLU 2 42.722 221 1 B 153 GLU 2 41.082 222 1 B 154 SER 2 40.250 223 1 B 155 LEU 2 43.996 224 1 B 156 LYS 2 39.551 225 1 B 157 PRO 2 41.534 226 1 B 158 SER 2 40.662 227 1 B 159 ASP 2 40.739 228 1 B 160 ASN 2 37.775 229 1 B 161 GLU 2 39.501 230 1 B 162 GLN 2 38.604 231 1 B 163 GLY 2 37.052 232 1 B 164 LEU 2 31.148 233 1 B 165 PRO 2 42.608 234 1 B 166 VAL 2 34.307 235 1 B 167 PHE 2 42.242 236 1 B 168 SER 2 41.151 237 1 B 169 GLY 2 44.297 238 1 B 170 SER 2 38.130 239 1 B 171 PRO 2 50.386 240 1 B 172 PRO 2 49.179 241 1 B 173 MET 2 37.482 242 1 B 174 LYS 2 44.696 243 1 B 175 SER 2 32.503 244 1 B 176 LEU 2 45.333 245 1 B 177 SER 2 37.374 246 1 B 178 SER 2 30.938 247 1 B 179 THR 2 38.863 248 1 B 180 SER 2 30.465 249 1 B 181 ALA 2 38.997 250 1 B 182 GLY 2 35.479 251 1 B 183 GLY 2 35.243 252 1 B 184 LYS 2 39.965 253 1 B 185 LYS 2 37.916 254 1 B 186 GLN 2 38.016 255 1 B 187 ALA 2 39.489 256 1 B 188 GLN 2 36.784 257 1 B 189 PRO 2 49.518 258 1 B 190 SER 2 42.418 259 1 B 191 CYS 2 38.787 260 1 B 192 ALA 2 48.468 261 1 B 193 PRO 2 43.096 262 1 B 194 ALA 2 43.079 263 1 B 195 SER 2 57.172 264 1 B 196 ARG 2 50.443 265 1 B 197 PRO 2 47.327 266 1 B 198 PRO 2 50.591 267 1 B 199 ALA 2 36.998 268 1 B 200 LYS 2 37.332 _database_2.database_id ModelArchive _database_2.database_code ma-t3vr3-579 _database_2.pdbx_DOI 10.5452/ma-t3vr3-579 _pdbx_database_status.entry_id ma-t3vr3-579 _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'