# By using this file you agree to the legally binding terms of use found at # https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md. # To request access to the AlphaFold 3 model parameters, follow the process set # out at https://github.com/google-deepmind/alphafold3. You may only use these if # received directly from Google. Use is subject to terms of use available at # https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md. data_spkb16485 # _entry.id spkb16485 # loop_ _atom_type.symbol C N O S # loop_ _audit_author.name _audit_author.pdbx_ordinal "Google DeepMind" 1 "Isomorphic Labs" 2 # _audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic _audit_conform.dict_name mmcif_ma.dic _audit_conform.dict_version 1.4.5 # loop_ _chem_comp.formula _chem_comp.formula_weight _chem_comp.id _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_smiles _chem_comp.pdbx_synonyms _chem_comp.type "C3 H7 N O2" 89.093 ALA y ALANINE C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N4 O2" 175.209 ARG y ARGININE C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N ? "L-PEPTIDE LINKING" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 ILE y ISOLEUCINE CC[C@H](C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H11 N O2 S" 149.211 MET y METHIONINE CSCC[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C9 H11 N O2" 165.189 PHE y PHENYLALANINE c1ccc(cc1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C3 H7 N O3" 105.093 SER y SERINE C([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" # _citation.book_publisher ? _citation.country UK _citation.id primary _citation.journal_full Nature _citation.journal_id_ASTM NATUAS _citation.journal_id_CSD 0006 _citation.journal_id_ISSN 0028-0836 _citation.journal_volume 630 _citation.page_first 493 _citation.page_last 500 _citation.pdbx_database_id_DOI 10.1038/s41586-024-07487-w _citation.pdbx_database_id_PubMed 38718835 _citation.title "Accurate structure prediction of biomolecular interactions with AlphaFold 3" _citation.year 2024 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary "Google DeepMind" 1 primary "Isomorphic Labs" 2 # _entity.id 1 _entity.pdbx_description . _entity.type polymer # _entity_poly.entity_id 1 _entity_poly.pdbx_strand_id A _entity_poly.type polypeptide(L) # loop_ _entity_poly_seq.entity_id _entity_poly_seq.hetero _entity_poly_seq.mon_id _entity_poly_seq.num 1 n MET 1 1 n ARG 2 1 n ALA 3 1 n LEU 4 1 n TYR 5 1 n PHE 6 1 n ARG 7 1 n THR 8 1 n THR 9 1 n THR 10 1 n LEU 11 1 n SER 12 1 n THR 13 1 n PHE 14 1 n PHE 15 1 n ILE 16 1 n LEU 17 1 n CYS 18 1 n SER 19 1 n LEU 20 1 n ALA 21 # _ma_data.content_type "model coordinates" _ma_data.id 1 _ma_data.name Model # _ma_model_list.data_id 1 _ma_model_list.model_group_id 1 _ma_model_list.model_group_name "AlphaFold-beta-20231127 (3.0.0 @ 2025-07-06 14:08:33)" _ma_model_list.model_id 1 _ma_model_list.model_name "Top ranked model" _ma_model_list.model_type "Ab initio model" _ma_model_list.ordinal_id 1 # loop_ _ma_protocol_step.method_type _ma_protocol_step.ordinal_id _ma_protocol_step.protocol_id _ma_protocol_step.step_id "coevolution MSA" 1 1 1 "template search" 2 1 2 modeling 3 1 3 # loop_ _ma_qa_metric.id _ma_qa_metric.mode _ma_qa_metric.name _ma_qa_metric.software_group_id _ma_qa_metric.type 1 global pLDDT 1 pLDDT 2 local pLDDT 1 pLDDT # _ma_qa_metric_global.metric_id 1 _ma_qa_metric_global.metric_value 90.65 _ma_qa_metric_global.model_id 1 _ma_qa_metric_global.ordinal_id 1 # loop_ _ma_qa_metric_local.label_asym_id _ma_qa_metric_local.label_comp_id _ma_qa_metric_local.label_seq_id _ma_qa_metric_local.metric_id _ma_qa_metric_local.metric_value _ma_qa_metric_local.model_id _ma_qa_metric_local.ordinal_id A MET 1 2 81.48 1 1 A ARG 2 2 76.25 1 2 A ALA 3 2 91.31 1 3 A LEU 4 2 90.50 1 4 A TYR 5 2 90.99 1 5 A PHE 6 2 90.83 1 6 A ARG 7 2 85.06 1 7 A THR 8 2 92.95 1 8 A THR 9 2 93.54 1 9 A THR 10 2 94.01 1 10 A LEU 11 2 91.72 1 11 A SER 12 2 93.78 1 12 A THR 13 2 92.76 1 13 A PHE 14 2 93.90 1 14 A PHE 15 2 93.47 1 15 A ILE 16 2 95.09 1 16 A LEU 17 2 93.40 1 17 A CYS 18 2 95.90 1 18 A SER 19 2 94.51 1 19 A LEU 20 2 93.12 1 20 A ALA 21 2 88.00 1 21 # _ma_software_group.group_id 1 _ma_software_group.ordinal_id 1 _ma_software_group.software_id 1 # _ma_target_entity.data_id 1 _ma_target_entity.entity_id 1 _ma_target_entity.origin . # _ma_target_entity_instance.asym_id A _ma_target_entity_instance.details . _ma_target_entity_instance.entity_id 1 # loop_ _pdbx_data_usage.details _pdbx_data_usage.id _pdbx_data_usage.type _pdbx_data_usage.url ;Non-commercial use only, by using this file you agree to the terms of use found at https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md. To request access to the AlphaFold 3 model parameters, follow the process set out at https://github.com/google-deepmind/alphafold3. You may only use these if received directly from Google. Use is subject to terms of use available at https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md. ; 1 license https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md ;AlphaFold 3 and its output are not intended for, have not been validated for, and are not approved for clinical use. They are provided "as-is" without any warranty of any kind, whether expressed or implied. No warranty is given that use shall not infringe the rights of any third party. ; 2 disclaimer ? # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.hetero _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.seq_id A 1 1 n MET . 1 A 1 A 2 1 n ARG . 2 A 2 A 3 1 n ALA . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n TYR . 5 A 5 A 6 1 n PHE . 6 A 6 A 7 1 n ARG . 7 A 7 A 8 1 n THR . 8 A 8 A 9 1 n THR . 9 A 9 A 10 1 n THR . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n SER . 12 A 12 A 13 1 n THR . 13 A 13 A 14 1 n PHE . 14 A 14 A 15 1 n PHE . 15 A 15 A 16 1 n ILE . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n CYS . 18 A 18 A 19 1 n SER . 19 A 19 A 20 1 n LEU . 20 A 20 A 21 1 n ALA . 21 A 21 # _software.classification other _software.date ? _software.description "Structure prediction" _software.name AlphaFold _software.pdbx_ordinal 1 _software.type package _software.version "AlphaFold-beta-20231127 (9ceee3b5f7825b611ab42eaad843248507ced2da1e745fa3b3d93c6c4ad3ca74)" # _struct_asym.entity_id 1 _struct_asym.id A # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.auth_seq_id _atom_site.auth_asym_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . MET A 1 1 ? 5.902 -12.988 -0.142 1.00 87.78 1 A 1 ATOM 2 C CA . MET A 1 1 ? 5.995 -12.033 0.976 1.00 88.59 1 A 1 ATOM 3 C C . MET A 1 1 ? 4.854 -12.231 1.958 1.00 89.39 1 A 1 ATOM 4 O O . MET A 1 1 ? 4.023 -13.114 1.781 1.00 85.69 1 A 1 ATOM 5 C CB . MET A 1 1 ? 5.976 -10.599 0.454 1.00 83.56 1 A 1 ATOM 6 C CG . MET A 1 1 ? 7.320 -10.184 -0.119 1.00 78.90 1 A 1 ATOM 7 S SD . MET A 1 1 ? 7.511 -8.408 -0.132 1.00 74.20 1 A 1 ATOM 8 C CE . MET A 1 1 ? 9.259 -8.276 -0.450 1.00 63.71 1 A 1 ATOM 9 N N . ARG A 1 2 ? 4.814 -11.427 2.990 1.00 84.10 2 A 1 ATOM 10 C CA . ARG A 1 2 ? 3.778 -11.541 4.006 1.00 87.63 2 A 1 ATOM 11 C C . ARG A 1 2 ? 2.437 -11.080 3.448 1.00 89.52 2 A 1 ATOM 12 O O . ARG A 1 2 ? 2.347 -10.012 2.843 1.00 87.43 2 A 1 ATOM 13 C CB . ARG A 1 2 ? 4.151 -10.703 5.214 1.00 83.29 2 A 1 ATOM 14 C CG . ARG A 1 2 ? 3.509 -11.206 6.498 1.00 74.74 2 A 1 ATOM 15 C CD . ARG A 1 2 ? 4.585 -11.653 7.469 1.00 73.88 2 A 1 ATOM 16 N NE . ARG A 1 2 ? 4.037 -11.960 8.791 1.00 69.69 2 A 1 ATOM 17 C CZ . ARG A 1 2 ? 3.604 -13.157 9.170 1.00 65.75 2 A 1 ATOM 18 N NH1 . ARG A 1 2 ? 3.622 -14.168 8.338 1.00 62.31 2 A 1 ATOM 19 N NH2 . ARG A 1 2 ? 3.140 -13.327 10.394 1.00 60.39 2 A 1 ATOM 20 N N . ALA A 1 3 ? 1.417 -11.892 3.666 1.00 89.22 3 A 1 ATOM 21 C CA . ALA A 1 3 ? 0.073 -11.564 3.178 1.00 92.06 3 A 1 ATOM 22 C C . ALA A 1 3 ? -0.448 -10.288 3.831 1.00 94.16 3 A 1 ATOM 23 O O . ALA A 1 3 ? -1.134 -9.486 3.190 1.00 92.30 3 A 1 ATOM 24 C CB . ALA A 1 3 ? -0.874 -12.725 3.452 1.00 88.82 3 A 1 ATOM 25 N N . LEU A 1 4 ? -0.115 -10.116 5.099 1.00 93.90 4 A 1 ATOM 26 C CA . LEU A 1 4 ? -0.524 -8.913 5.825 1.00 94.56 4 A 1 ATOM 27 C C . LEU A 1 4 ? 0.132 -7.671 5.236 1.00 95.63 4 A 1 ATOM 28 O O . LEU A 1 4 ? -0.458 -6.590 5.235 1.00 94.98 4 A 1 ATOM 29 C CB . LEU A 1 4 ? -0.155 -9.054 7.304 1.00 93.98 4 A 1 ATOM 30 C CG . LEU A 1 4 ? -1.052 -10.016 8.074 1.00 88.34 4 A 1 ATOM 31 C CD1 . LEU A 1 4 ? -0.395 -10.400 9.395 1.00 81.27 4 A 1 ATOM 32 C CD2 . LEU A 1 4 ? -2.408 -9.378 8.346 1.00 81.34 4 A 1 ATOM 33 N N . TYR A 1 5 ? 1.334 -7.830 4.721 1.00 94.32 5 A 1 ATOM 34 C CA . TYR A 1 5 ? 2.040 -6.726 4.082 1.00 94.74 5 A 1 ATOM 35 C C . TYR A 1 5 ? 1.326 -6.297 2.810 1.00 95.53 5 A 1 ATOM 36 O O . TYR A 1 5 ? 1.324 -5.116 2.461 1.00 95.39 5 A 1 ATOM 37 C CB . TYR A 1 5 ? 3.479 -7.141 3.765 1.00 94.76 5 A 1 ATOM 38 C CG . TYR A 1 5 ? 4.484 -6.431 4.648 1.00 90.49 5 A 1 ATOM 39 C CD1 . TYR A 1 5 ? 4.606 -6.757 5.993 1.00 88.20 5 A 1 ATOM 40 C CD2 . TYR A 1 5 ? 5.292 -5.433 4.126 1.00 88.85 5 A 1 ATOM 41 C CE1 . TYR A 1 5 ? 5.519 -6.102 6.802 1.00 87.06 5 A 1 ATOM 42 C CE2 . TYR A 1 5 ? 6.214 -4.773 4.931 1.00 88.39 5 A 1 ATOM 43 C CZ . TYR A 1 5 ? 6.326 -5.114 6.268 1.00 88.57 5 A 1 ATOM 44 O OH . TYR A 1 5 ? 7.232 -4.462 7.061 1.00 85.63 5 A 1 ATOM 45 N N . PHE A 1 6 ? 0.714 -7.257 2.128 1.00 96.18 6 A 1 ATOM 46 C CA . PHE A 1 6 ? -0.045 -6.956 0.920 1.00 95.56 6 A 1 ATOM 47 C C . PHE A 1 6 ? -1.260 -6.102 1.262 1.00 96.22 6 A 1 ATOM 48 O O . PHE A 1 6 ? -1.678 -5.253 0.474 1.00 95.69 6 A 1 ATOM 49 C CB . PHE A 1 6 ? -0.482 -8.254 0.241 1.00 95.14 6 A 1 ATOM 50 C CG . PHE A 1 6 ? 0.000 -8.335 -1.188 1.00 91.83 6 A 1 ATOM 51 C CD1 . PHE A 1 6 ? -0.642 -7.626 -2.189 1.00 87.61 6 A 1 ATOM 52 C CD2 . PHE A 1 6 ? 1.098 -9.117 -1.513 1.00 87.23 6 A 1 ATOM 53 C CE1 . PHE A 1 6 ? -0.198 -7.692 -3.501 1.00 84.24 6 A 1 ATOM 54 C CE2 . PHE A 1 6 ? 1.548 -9.191 -2.825 1.00 85.22 6 A 1 ATOM 55 C CZ . PHE A 1 6 ? 0.899 -8.479 -3.819 1.00 84.22 6 A 1 ATOM 56 N N . ARG A 1 7 ? -1.816 -6.332 2.438 1.00 95.94 7 A 1 ATOM 57 C CA . ARG A 1 7 ? -2.969 -5.562 2.899 1.00 96.06 7 A 1 ATOM 58 C C . ARG A 1 7 ? -2.597 -4.098 3.078 1.00 96.61 7 A 1 ATOM 59 O O . ARG A 1 7 ? -3.329 -3.213 2.641 1.00 95.48 7 A 1 ATOM 60 C CB . ARG A 1 7 ? -3.495 -6.138 4.212 1.00 95.37 7 A 1 ATOM 61 C CG . ARG A 1 7 ? -4.794 -5.487 4.634 1.00 86.28 7 A 1 ATOM 62 C CD . ARG A 1 7 ? -5.261 -6.021 5.986 1.00 83.81 7 A 1 ATOM 63 N NE . ARG A 1 7 ? -4.410 -5.521 7.073 1.00 78.18 7 A 1 ATOM 64 C CZ . ARG A 1 7 ? -4.851 -5.265 8.308 1.00 73.17 7 A 1 ATOM 65 N NH1 . ARG A 1 7 ? -6.115 -5.436 8.630 1.00 67.07 7 A 1 ATOM 66 N NH2 . ARG A 1 7 ? -4.013 -4.822 9.227 1.00 67.66 7 A 1 ATOM 67 N N . THR A 1 8 ? -1.471 -3.850 3.697 1.00 96.36 8 A 1 ATOM 68 C CA . THR A 1 8 ? -1.020 -2.482 3.915 1.00 96.08 8 A 1 ATOM 69 C C . THR A 1 8 ? -0.640 -1.829 2.592 1.00 96.28 8 A 1 ATOM 70 O O . THR A 1 8 ? -0.753 -0.613 2.438 1.00 95.07 8 A 1 ATOM 71 C CB . THR A 1 8 ? 0.150 -2.429 4.915 1.00 94.97 8 A 1 ATOM 72 O OG1 . THR A 1 8 ? 0.390 -1.068 5.277 1.00 86.92 8 A 1 ATOM 73 C CG2 . THR A 1 8 ? 1.421 -3.005 4.336 1.00 84.96 8 A 1 ATOM 74 N N . THR A 1 9 ? -0.219 -2.647 1.639 1.00 96.76 9 A 1 ATOM 75 C CA . THR A 1 9 ? 0.121 -2.147 0.307 1.00 96.65 9 A 1 ATOM 76 C C . THR A 1 9 ? -1.130 -1.596 -0.371 1.00 96.97 9 A 1 ATOM 77 O O . THR A 1 9 ? -1.068 -0.595 -1.090 1.00 96.13 9 A 1 ATOM 78 C CB . THR A 1 9 ? 0.735 -3.256 -0.546 1.00 95.91 9 A 1 ATOM 79 O OG1 . THR A 1 9 ? 1.901 -3.757 0.103 1.00 87.50 9 A 1 ATOM 80 C CG2 . THR A 1 9 ? 1.146 -2.729 -1.912 1.00 84.85 9 A 1 ATOM 81 N N . THR A 1 10 ? -2.252 -2.240 -0.138 1.00 96.30 10 A 1 ATOM 82 C CA . THR A 1 10 ? -3.522 -1.778 -0.693 1.00 96.09 10 A 1 ATOM 83 C C . THR A 1 10 ? -3.875 -0.408 -0.122 1.00 96.45 10 A 1 ATOM 84 O O . THR A 1 10 ? -4.378 0.461 -0.837 1.00 95.77 10 A 1 ATOM 85 C CB . THR A 1 10 ? -4.643 -2.776 -0.372 1.00 95.40 10 A 1 ATOM 86 O OG1 . THR A 1 10 ? -4.269 -4.070 -0.830 1.00 89.91 10 A 1 ATOM 87 C CG2 . THR A 1 10 ? -5.937 -2.374 -1.062 1.00 88.15 10 A 1 ATOM 88 N N . LEU A 1 11 ? -3.604 -0.221 1.145 1.00 96.09 11 A 1 ATOM 89 C CA . LEU A 1 11 ? -3.844 1.070 1.781 1.00 95.41 11 A 1 ATOM 90 C C . LEU A 1 11 ? -2.889 2.121 1.228 1.00 96.12 11 A 1 ATOM 91 O O . LEU A 1 11 ? -3.248 3.295 1.117 1.00 95.61 11 A 1 ATOM 92 C CB . LEU A 1 11 ? -3.665 0.941 3.293 1.00 94.90 11 A 1 ATOM 93 C CG . LEU A 1 11 ? -4.822 0.233 3.981 1.00 87.97 11 A 1 ATOM 94 C CD1 . LEU A 1 11 ? -4.394 -0.275 5.349 1.00 83.33 11 A 1 ATOM 95 C CD2 . LEU A 1 11 ? -6.006 1.183 4.130 1.00 84.31 11 A 1 ATOM 96 N N . SER A 1 12 ? -1.702 1.683 0.878 1.00 96.28 12 A 1 ATOM 97 C CA . SER A 1 12 ? -0.700 2.576 0.313 1.00 96.31 12 A 1 ATOM 98 C C . SER A 1 12 ? -1.158 3.116 -1.036 1.00 96.97 12 A 1 ATOM 99 O O . SER A 1 12 ? -1.044 4.312 -1.303 1.00 95.93 12 A 1 ATOM 100 C CB . SER A 1 12 ? 0.631 1.852 0.164 1.00 94.86 12 A 1 ATOM 101 O OG . SER A 1 12 ? 1.642 2.766 -0.182 1.00 82.34 12 A 1 ATOM 102 N N . THR A 1 13 ? -1.683 2.235 -1.879 1.00 94.89 13 A 1 ATOM 103 C CA . THR A 1 13 ? -2.162 2.656 -3.192 1.00 95.25 13 A 1 ATOM 104 C C . THR A 1 13 ? -3.367 3.582 -3.043 1.00 96.32 13 A 1 ATOM 105 O O . THR A 1 13 ? -3.552 4.508 -3.832 1.00 95.32 13 A 1 ATOM 106 C CB . THR A 1 13 ? -2.506 1.439 -4.069 1.00 94.51 13 A 1 ATOM 107 O OG1 . THR A 1 13 ? -2.730 1.884 -5.413 1.00 87.15 13 A 1 ATOM 108 C CG2 . THR A 1 13 ? -3.744 0.718 -3.591 1.00 85.89 13 A 1 ATOM 109 N N . PHE A 1 14 ? -4.174 3.329 -2.023 1.00 96.37 14 A 1 ATOM 110 C CA . PHE A 1 14 ? -5.318 4.182 -1.728 1.00 96.45 14 A 1 ATOM 111 C C . PHE A 1 14 ? -4.846 5.572 -1.331 1.00 97.28 14 A 1 ATOM 112 O O . PHE A 1 14 ? -5.447 6.577 -1.715 1.00 97.04 14 A 1 ATOM 113 C CB . PHE A 1 14 ? -6.143 3.563 -0.606 1.00 96.08 14 A 1 ATOM 114 C CG . PHE A 1 14 ? -7.399 4.339 -0.314 1.00 93.35 14 A 1 ATOM 115 C CD1 . PHE A 1 14 ? -7.431 5.273 0.715 1.00 91.53 14 A 1 ATOM 116 C CD2 . PHE A 1 14 ? -8.536 4.142 -1.084 1.00 92.26 14 A 1 ATOM 117 C CE1 . PHE A 1 14 ? -8.588 5.993 0.977 1.00 90.64 14 A 1 ATOM 118 C CE2 . PHE A 1 14 ? -9.692 4.865 -0.823 1.00 90.76 14 A 1 ATOM 119 C CZ . PHE A 1 14 ? -9.716 5.787 0.207 1.00 91.18 14 A 1 ATOM 120 N N . PHE A 1 15 ? -3.765 5.608 -0.568 1.00 96.48 15 A 1 ATOM 121 C CA . PHE A 1 15 ? -3.184 6.871 -0.134 1.00 96.03 15 A 1 ATOM 122 C C . PHE A 1 15 ? -2.681 7.665 -1.333 1.00 96.87 15 A 1 ATOM 123 O O . PHE A 1 15 ? -2.835 8.885 -1.386 1.00 96.77 15 A 1 ATOM 124 C CB . PHE A 1 15 ? -2.041 6.604 0.842 1.00 95.82 15 A 1 ATOM 125 C CG . PHE A 1 15 ? -1.656 7.822 1.638 1.00 92.54 15 A 1 ATOM 126 C CD1 . PHE A 1 15 ? -0.704 8.711 1.161 1.00 90.48 15 A 1 ATOM 127 C CD2 . PHE A 1 15 ? -2.261 8.080 2.861 1.00 91.78 15 A 1 ATOM 128 C CE1 . PHE A 1 15 ? -0.357 9.844 1.893 1.00 89.99 15 A 1 ATOM 129 C CE2 . PHE A 1 15 ? -1.913 9.210 3.594 1.00 90.26 15 A 1 ATOM 130 C CZ . PHE A 1 15 ? -0.963 10.090 3.109 1.00 91.13 15 A 1 ATOM 131 N N . ILE A 1 16 ? -2.090 6.963 -2.285 1.00 96.86 16 A 1 ATOM 132 C CA . ILE A 1 16 ? -1.581 7.607 -3.493 1.00 96.48 16 A 1 ATOM 133 C C . ILE A 1 16 ? -2.734 8.214 -4.287 1.00 96.83 16 A 1 ATOM 134 O O . ILE A 1 16 ? -2.634 9.338 -4.789 1.00 96.08 16 A 1 ATOM 135 C CB . ILE A 1 16 ? -0.794 6.604 -4.354 1.00 96.38 16 A 1 ATOM 136 C CG1 . ILE A 1 16 ? 0.461 6.130 -3.614 1.00 94.45 16 A 1 ATOM 137 C CG2 . ILE A 1 16 ? -0.401 7.247 -5.688 1.00 94.31 16 A 1 ATOM 138 C CD1 . ILE A 1 16 ? 1.071 4.873 -4.192 1.00 89.32 16 A 1 ATOM 139 N N . LEU A 1 17 ? -3.818 7.466 -4.396 1.00 96.44 17 A 1 ATOM 140 C CA . LEU A 1 17 ? -4.992 7.953 -5.111 1.00 95.85 17 A 1 ATOM 141 C C . LEU A 1 17 ? -5.552 9.199 -4.439 1.00 96.40 17 A 1 ATOM 142 O O . LEU A 1 17 ? -5.947 10.152 -5.117 1.00 96.12 17 A 1 ATOM 143 C CB . LEU A 1 17 ? -6.054 6.856 -5.157 1.00 95.70 17 A 1 ATOM 144 C CG . LEU A 1 17 ? -5.737 5.733 -6.139 1.00 90.92 17 A 1 ATOM 145 C CD1 . LEU A 1 17 ? -6.617 4.527 -5.860 1.00 87.74 17 A 1 ATOM 146 C CD2 . LEU A 1 17 ? -5.939 6.208 -7.573 1.00 88.01 17 A 1 ATOM 147 N N . CYS A 1 18 ? -5.582 9.195 -3.120 1.00 97.00 18 A 1 ATOM 148 C CA . CYS A 1 18 ? -6.063 10.347 -2.364 1.00 96.80 18 A 1 ATOM 149 C C . CYS A 1 18 ? -5.139 11.546 -2.546 1.00 97.07 18 A 1 ATOM 150 O O . CYS A 1 18 ? -5.597 12.687 -2.566 1.00 96.34 18 A 1 ATOM 151 C CB . CYS A 1 18 ? -6.170 9.987 -0.881 1.00 96.00 18 A 1 ATOM 152 S SG . CYS A 1 18 ? -7.625 8.995 -0.526 1.00 92.17 18 A 1 ATOM 153 N N . SER A 1 19 ? -3.865 11.274 -2.688 1.00 96.38 19 A 1 ATOM 154 C CA . SER A 1 19 ? -2.878 12.332 -2.870 1.00 96.32 19 A 1 ATOM 155 C C . SER A 1 19 ? -3.024 12.984 -4.244 1.00 96.18 19 A 1 ATOM 156 O O . SER A 1 19 ? -2.853 14.197 -4.387 1.00 94.70 19 A 1 ATOM 157 C CB . SER A 1 19 ? -1.468 11.770 -2.698 1.00 95.36 19 A 1 ATOM 158 O OG . SER A 1 19 ? -0.540 12.810 -2.521 1.00 88.11 19 A 1 ATOM 159 N N . LEU A 1 20 ? -3.332 12.166 -5.247 1.00 96.62 20 A 1 ATOM 160 C CA . LEU A 1 20 ? -3.504 12.661 -6.607 1.00 96.37 20 A 1 ATOM 161 C C . LEU A 1 20 ? -4.862 13.326 -6.783 1.00 96.79 20 A 1 ATOM 162 O O . LEU A 1 20 ? -4.999 14.275 -7.563 1.00 95.47 20 A 1 ATOM 163 C CB . LEU A 1 20 ? -3.338 11.510 -7.611 1.00 95.20 20 A 1 ATOM 164 C CG . LEU A 1 20 ? -1.921 11.322 -8.172 1.00 91.80 20 A 1 ATOM 165 C CD1 . LEU A 1 20 ? -1.520 12.521 -9.010 1.00 87.18 20 A 1 ATOM 166 C CD2 . LEU A 1 20 ? -0.916 11.102 -7.060 1.00 85.54 20 A 1 ATOM 167 N N . ALA A 1 21 ? -5.848 12.812 -6.072 1.00 94.24 21 A 1 ATOM 168 C CA . ALA A 1 21 ? -7.210 13.336 -6.151 1.00 92.32 21 A 1 ATOM 169 C C . ALA A 1 21 ? -7.296 14.707 -5.481 1.00 90.21 21 A 1 ATOM 170 O O . ALA A 1 21 ? -7.931 15.616 -6.048 1.00 86.62 21 A 1 ATOM 171 C CB . ALA A 1 21 ? -8.184 12.352 -5.508 1.00 87.38 21 A 1 ATOM 172 O OXT . ALA A 1 21 ? -6.760 14.868 -4.393 1.00 77.23 21 A 1 #