# 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_spkb32387 # _entry.id spkb32387 # 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" "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" "C6 H15 N2 O2" 147.195 LYS y LYSINE C(CC[NH3+])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" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)O ? "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" "C5 H11 N O2" 117.146 VAL y VALINE CC(C)[C@@H](C(=O)O)N ? "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 LYS 2 1 n LYS 3 1 n PRO 4 1 n VAL 5 1 n PHE 6 1 n PHE 7 1 n LEU 8 1 n LEU 9 1 n THR 10 1 n MET 11 1 n ILE 12 1 n ILE 13 1 n CYS 14 1 n SER 15 1 n TYR 16 1 n ILE 17 1 n SER 18 1 n PHE 19 1 n ALA 20 1 n CYS 21 1 n ALA 22 # _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 @ 2025-07-03 13:00:59)" _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 90.27 _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 70.53 1 1 A LYS 2 2 77.83 1 2 A LYS 3 2 77.86 1 3 A PRO 4 2 88.10 1 4 A VAL 5 2 91.61 1 5 A PHE 6 2 91.18 1 6 A PHE 7 2 93.07 1 7 A LEU 8 2 92.22 1 8 A LEU 9 2 92.15 1 9 A THR 10 2 94.00 1 10 A MET 11 2 91.06 1 11 A ILE 12 2 94.72 1 12 A ILE 13 2 95.43 1 13 A CYS 14 2 95.07 1 14 A SER 15 2 95.46 1 15 A TYR 16 2 94.83 1 16 A ILE 17 2 95.87 1 17 A SER 18 2 94.81 1 18 A PHE 19 2 93.26 1 19 A ALA 20 2 94.71 1 20 A CYS 21 2 92.14 1 21 A ALA 22 2 82.51 1 22 # _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 LYS . 2 A 2 A 3 1 n LYS . 3 A 3 A 4 1 n PRO . 4 A 4 A 5 1 n VAL . 5 A 5 A 6 1 n PHE . 6 A 6 A 7 1 n PHE . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n THR . 10 A 10 A 11 1 n MET . 11 A 11 A 12 1 n ILE . 12 A 12 A 13 1 n ILE . 13 A 13 A 14 1 n CYS . 14 A 14 A 15 1 n SER . 15 A 15 A 16 1 n TYR . 16 A 16 A 17 1 n ILE . 17 A 17 A 18 1 n SER . 18 A 18 A 19 1 n PHE . 19 A 19 A 20 1 n ALA . 20 A 20 A 21 1 n CYS . 21 A 21 A 22 1 n ALA . 22 A 22 # _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 ? 8.343 -13.130 9.004 1.00 75.61 1 A 1 ATOM 2 C CA . MET A 1 1 ? 7.235 -12.180 9.230 1.00 78.67 1 A 1 ATOM 3 C C . MET A 1 1 ? 6.100 -12.490 8.250 1.00 80.45 1 A 1 ATOM 4 O O . MET A 1 1 ? 6.047 -11.919 7.179 1.00 73.85 1 A 1 ATOM 5 C CB . MET A 1 1 ? 7.718 -10.741 9.045 1.00 72.19 1 A 1 ATOM 6 C CG . MET A 1 1 ? 8.555 -10.249 10.223 1.00 65.60 1 A 1 ATOM 7 S SD . MET A 1 1 ? 9.307 -8.650 9.879 1.00 59.84 1 A 1 ATOM 8 C CE . MET A 1 1 ? 9.888 -8.173 11.505 1.00 58.01 1 A 1 ATOM 9 N N . LYS A 1 2 ? 5.215 -13.433 8.575 1.00 87.41 2 A 1 ATOM 10 C CA . LYS A 1 2 ? 4.020 -13.746 7.777 1.00 87.99 2 A 1 ATOM 11 C C . LYS A 1 2 ? 2.849 -12.901 8.286 1.00 88.04 2 A 1 ATOM 12 O O . LYS A 1 2 ? 1.986 -13.399 8.996 1.00 85.21 2 A 1 ATOM 13 C CB . LYS A 1 2 ? 3.721 -15.255 7.803 1.00 83.82 2 A 1 ATOM 14 C CG . LYS A 1 2 ? 4.464 -16.034 6.715 1.00 75.44 2 A 1 ATOM 15 C CD . LYS A 1 2 ? 4.068 -17.507 6.753 1.00 70.82 2 A 1 ATOM 16 C CE . LYS A 1 2 ? 4.679 -18.274 5.586 1.00 64.81 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? 4.340 -19.716 5.632 1.00 56.92 2 A 1 ATOM 18 N N . LYS A 1 3 ? 2.825 -11.628 7.946 1.00 86.62 3 A 1 ATOM 19 C CA . LYS A 1 3 ? 1.680 -10.757 8.217 1.00 88.44 3 A 1 ATOM 20 C C . LYS A 1 3 ? 1.168 -10.173 6.895 1.00 89.72 3 A 1 ATOM 21 O O . LYS A 1 3 ? 1.473 -9.027 6.584 1.00 87.16 3 A 1 ATOM 22 C CB . LYS A 1 3 ? 2.038 -9.689 9.259 1.00 83.12 3 A 1 ATOM 23 C CG . LYS A 1 3 ? 2.301 -10.294 10.641 1.00 73.88 3 A 1 ATOM 24 C CD . LYS A 1 3 ? 2.399 -9.208 11.713 1.00 70.81 3 A 1 ATOM 25 C CE . LYS A 1 3 ? 2.640 -9.828 13.088 1.00 63.24 3 A 1 ATOM 26 N NZ . LYS A 1 3 ? 2.675 -8.801 14.163 1.00 57.72 3 A 1 ATOM 27 N N . PRO A 1 4 ? 0.413 -10.945 6.106 1.00 88.13 4 A 1 ATOM 28 C CA . PRO A 1 4 ? -0.109 -10.493 4.816 1.00 91.91 4 A 1 ATOM 29 C C . PRO A 1 4 ? -1.052 -9.298 4.970 1.00 94.29 4 A 1 ATOM 30 O O . PRO A 1 4 ? -1.081 -8.427 4.113 1.00 91.19 4 A 1 ATOM 31 C CB . PRO A 1 4 ? -0.815 -11.718 4.227 1.00 86.72 4 A 1 ATOM 32 C CG . PRO A 1 4 ? -1.188 -12.554 5.436 1.00 81.01 4 A 1 ATOM 33 C CD . PRO A 1 4 ? -0.054 -12.285 6.403 1.00 83.42 4 A 1 ATOM 34 N N . VAL A 1 5 ? -1.749 -9.212 6.101 1.00 92.71 5 A 1 ATOM 35 C CA . VAL A 1 5 ? -2.651 -8.096 6.421 1.00 94.27 5 A 1 ATOM 36 C C . VAL A 1 5 ? -1.890 -6.775 6.540 1.00 95.65 5 A 1 ATOM 37 O O . VAL A 1 5 ? -2.343 -5.753 6.036 1.00 95.20 5 A 1 ATOM 38 C CB . VAL A 1 5 ? -3.413 -8.384 7.723 1.00 92.72 5 A 1 ATOM 39 C CG1 . VAL A 1 5 ? -4.400 -7.270 8.053 1.00 85.12 5 A 1 ATOM 40 C CG2 . VAL A 1 5 ? -4.183 -9.699 7.633 1.00 85.61 5 A 1 ATOM 41 N N . PHE A 1 6 ? -0.709 -6.790 7.166 1.00 94.21 6 A 1 ATOM 42 C CA . PHE A 1 6 ? 0.117 -5.592 7.317 1.00 94.63 6 A 1 ATOM 43 C C . PHE A 1 6 ? 0.630 -5.102 5.962 1.00 95.29 6 A 1 ATOM 44 O O . PHE A 1 6 ? 0.619 -3.905 5.691 1.00 95.66 6 A 1 ATOM 45 C CB . PHE A 1 6 ? 1.277 -5.903 8.264 1.00 94.69 6 A 1 ATOM 46 C CG . PHE A 1 6 ? 2.031 -4.658 8.675 1.00 91.16 6 A 1 ATOM 47 C CD1 . PHE A 1 6 ? 3.187 -4.261 7.991 1.00 87.58 6 A 1 ATOM 48 C CD2 . PHE A 1 6 ? 1.544 -3.875 9.731 1.00 88.63 6 A 1 ATOM 49 C CE1 . PHE A 1 6 ? 3.861 -3.086 8.359 1.00 86.85 6 A 1 ATOM 50 C CE2 . PHE A 1 6 ? 2.214 -2.699 10.102 1.00 87.33 6 A 1 ATOM 51 C CZ . PHE A 1 6 ? 3.373 -2.306 9.416 1.00 86.97 6 A 1 ATOM 52 N N . PHE A 1 7 ? 1.016 -6.023 5.083 1.00 95.98 7 A 1 ATOM 53 C CA . PHE A 1 7 ? 1.466 -5.695 3.735 1.00 95.80 7 A 1 ATOM 54 C C . PHE A 1 7 ? 0.332 -5.096 2.897 1.00 96.28 7 A 1 ATOM 55 O O . PHE A 1 7 ? 0.528 -4.072 2.249 1.00 96.55 7 A 1 ATOM 56 C CB . PHE A 1 7 ? 2.040 -6.956 3.091 1.00 95.87 7 A 1 ATOM 57 C CG . PHE A 1 7 ? 2.875 -6.640 1.875 1.00 93.68 7 A 1 ATOM 58 C CD1 . PHE A 1 7 ? 2.316 -6.694 0.592 1.00 89.96 7 A 1 ATOM 59 C CD2 . PHE A 1 7 ? 4.217 -6.266 2.040 1.00 90.96 7 A 1 ATOM 60 C CE1 . PHE A 1 7 ? 3.099 -6.383 -0.530 1.00 89.31 7 A 1 ATOM 61 C CE2 . PHE A 1 7 ? 5.001 -5.956 0.920 1.00 89.81 7 A 1 ATOM 62 C CZ . PHE A 1 7 ? 4.442 -6.017 -0.361 1.00 89.55 7 A 1 ATOM 63 N N . LEU A 1 8 ? -0.862 -5.667 2.970 1.00 95.62 8 A 1 ATOM 64 C CA . LEU A 1 8 ? -2.042 -5.146 2.277 1.00 95.69 8 A 1 ATOM 65 C C . LEU A 1 8 ? -2.408 -3.741 2.765 1.00 96.42 8 A 1 ATOM 66 O O . LEU A 1 8 ? -2.656 -2.854 1.954 1.00 96.82 8 A 1 ATOM 67 C CB . LEU A 1 8 ? -3.224 -6.105 2.490 1.00 95.95 8 A 1 ATOM 68 C CG . LEU A 1 8 ? -3.947 -6.417 1.177 1.00 87.19 8 A 1 ATOM 69 C CD1 . LEU A 1 8 ? -3.237 -7.543 0.427 1.00 83.40 8 A 1 ATOM 70 C CD2 . LEU A 1 8 ? -5.386 -6.837 1.446 1.00 86.64 8 A 1 ATOM 71 N N . LEU A 1 9 ? -2.398 -3.525 4.072 1.00 95.77 9 A 1 ATOM 72 C CA . LEU A 1 9 ? -2.685 -2.223 4.673 1.00 95.65 9 A 1 ATOM 73 C C . LEU A 1 9 ? -1.674 -1.170 4.215 1.00 95.98 9 A 1 ATOM 74 O O . LEU A 1 9 ? -2.059 -0.067 3.840 1.00 96.43 9 A 1 ATOM 75 C CB . LEU A 1 9 ? -2.681 -2.385 6.197 1.00 95.87 9 A 1 ATOM 76 C CG . LEU A 1 9 ? -3.142 -1.115 6.933 1.00 87.37 9 A 1 ATOM 77 C CD1 . LEU A 1 9 ? -4.639 -0.856 6.728 1.00 83.49 9 A 1 ATOM 78 C CD2 . LEU A 1 9 ? -2.874 -1.261 8.429 1.00 86.67 9 A 1 ATOM 79 N N . THR A 1 10 ? -0.398 -1.508 4.193 1.00 96.59 10 A 1 ATOM 80 C CA . THR A 1 10 ? 0.666 -0.612 3.729 1.00 96.24 10 A 1 ATOM 81 C C . THR A 1 10 ? 0.487 -0.256 2.255 1.00 96.37 10 A 1 ATOM 82 O O . THR A 1 10 ? 0.669 0.902 1.889 1.00 95.83 10 A 1 ATOM 83 C CB . THR A 1 10 ? 2.042 -1.252 3.955 1.00 95.76 10 A 1 ATOM 84 O OG1 . THR A 1 10 ? 2.216 -1.589 5.313 1.00 89.62 10 A 1 ATOM 85 C CG2 . THR A 1 10 ? 3.188 -0.302 3.613 1.00 87.59 10 A 1 ATOM 86 N N . MET A 1 11 ? 0.093 -1.205 1.415 1.00 96.51 11 A 1 ATOM 87 C CA . MET A 1 11 ? -0.169 -0.953 -0.006 1.00 95.88 11 A 1 ATOM 88 C C . MET A 1 11 ? -1.342 0.012 -0.213 1.00 96.18 11 A 1 ATOM 89 O O . MET A 1 11 ? -1.238 0.928 -1.024 1.00 95.48 11 A 1 ATOM 90 C CB . MET A 1 11 ? -0.428 -2.286 -0.727 1.00 95.52 11 A 1 ATOM 91 C CG . MET A 1 11 ? 0.885 -3.036 -0.991 1.00 91.45 11 A 1 ATOM 92 S SD . MET A 1 11 ? 1.892 -2.245 -2.264 1.00 82.94 11 A 1 ATOM 93 C CE . MET A 1 11 ? 3.380 -3.262 -2.180 1.00 74.56 11 A 1 ATOM 94 N N . ILE A 1 12 ? -2.419 -0.141 0.542 1.00 95.96 12 A 1 ATOM 95 C CA . ILE A 1 12 ? -3.585 0.746 0.462 1.00 96.07 12 A 1 ATOM 96 C C . ILE A 1 12 ? -3.204 2.171 0.882 1.00 96.62 12 A 1 ATOM 97 O O . ILE A 1 12 ? -3.513 3.128 0.173 1.00 96.38 12 A 1 ATOM 98 C CB . ILE A 1 12 ? -4.736 0.185 1.320 1.00 96.17 12 A 1 ATOM 99 C CG1 . ILE A 1 12 ? -5.252 -1.146 0.728 1.00 94.07 12 A 1 ATOM 100 C CG2 . ILE A 1 12 ? -5.899 1.195 1.402 1.00 93.34 12 A 1 ATOM 101 C CD1 . ILE A 1 12 ? -6.102 -1.954 1.705 1.00 89.17 12 A 1 ATOM 102 N N . ILE A 1 13 ? -2.505 2.313 2.000 1.00 96.83 13 A 1 ATOM 103 C CA . ILE A 1 13 ? -2.066 3.620 2.504 1.00 96.66 13 A 1 ATOM 104 C C . ILE A 1 13 ? -1.094 4.273 1.511 1.00 96.98 13 A 1 ATOM 105 O O . ILE A 1 13 ? -1.246 5.448 1.190 1.00 96.81 13 A 1 ATOM 106 C CB . ILE A 1 13 ? -1.439 3.466 3.904 1.00 96.62 13 A 1 ATOM 107 C CG1 . ILE A 1 13 ? -2.500 3.021 4.934 1.00 94.84 13 A 1 ATOM 108 C CG2 . ILE A 1 13 ? -0.803 4.789 4.371 1.00 94.28 13 A 1 ATOM 109 C CD1 . ILE A 1 13 ? -1.899 2.536 6.254 1.00 90.38 13 A 1 ATOM 110 N N . CYS A 1 14 ? -0.143 3.528 0.995 1.00 96.76 14 A 1 ATOM 111 C CA . CYS A 1 14 ? 0.821 4.032 0.020 1.00 96.57 14 A 1 ATOM 112 C C . CYS A 1 14 ? 0.130 4.497 -1.272 1.00 97.06 14 A 1 ATOM 113 O O . CYS A 1 14 ? 0.446 5.569 -1.777 1.00 96.13 14 A 1 ATOM 114 C CB . CYS A 1 14 ? 1.857 2.932 -0.253 1.00 95.38 14 A 1 ATOM 115 S SG . CYS A 1 14 ? 3.206 3.594 -1.249 1.00 88.54 14 A 1 ATOM 116 N N . SER A 1 15 ? -0.841 3.745 -1.762 1.00 96.54 15 A 1 ATOM 117 C CA . SER A 1 15 ? -1.625 4.124 -2.940 1.00 96.64 15 A 1 ATOM 118 C C . SER A 1 15 ? -2.419 5.412 -2.700 1.00 97.13 15 A 1 ATOM 119 O O . SER A 1 15 ? -2.418 6.302 -3.549 1.00 96.72 15 A 1 ATOM 120 C CB . SER A 1 15 ? -2.565 2.976 -3.310 1.00 96.04 15 A 1 ATOM 121 O OG . SER A 1 15 ? -3.180 3.253 -4.552 1.00 89.69 15 A 1 ATOM 122 N N . TYR A 1 16 ? -3.029 5.543 -1.533 1.00 96.66 16 A 1 ATOM 123 C CA . TYR A 1 16 ? -3.791 6.735 -1.165 1.00 97.14 16 A 1 ATOM 124 C C . TYR A 1 16 ? -2.894 7.975 -1.060 1.00 97.34 16 A 1 ATOM 125 O O . TYR A 1 16 ? -3.215 9.026 -1.618 1.00 96.91 16 A 1 ATOM 126 C CB . TYR A 1 16 ? -4.526 6.462 0.151 1.00 97.10 16 A 1 ATOM 127 C CG . TYR A 1 16 ? -5.519 7.549 0.491 1.00 95.36 16 A 1 ATOM 128 C CD1 . TYR A 1 16 ? -5.160 8.602 1.356 1.00 92.83 16 A 1 ATOM 129 C CD2 . TYR A 1 16 ? -6.801 7.526 -0.087 1.00 93.32 16 A 1 ATOM 130 C CE1 . TYR A 1 16 ? -6.080 9.621 1.644 1.00 92.66 16 A 1 ATOM 131 C CE2 . TYR A 1 16 ? -7.724 8.546 0.202 1.00 92.97 16 A 1 ATOM 132 C CZ . TYR A 1 16 ? -7.359 9.589 1.064 1.00 93.75 16 A 1 ATOM 133 O OH . TYR A 1 16 ? -8.258 10.588 1.342 1.00 91.93 16 A 1 ATOM 134 N N . ILE A 1 17 ? -1.744 7.857 -0.404 1.00 97.78 17 A 1 ATOM 135 C CA . ILE A 1 17 ? -0.780 8.956 -0.268 1.00 97.46 17 A 1 ATOM 136 C C . ILE A 1 17 ? -0.194 9.328 -1.632 1.00 97.50 17 A 1 ATOM 137 O O . ILE A 1 17 ? -0.096 10.511 -1.946 1.00 96.98 17 A 1 ATOM 138 C CB . ILE A 1 17 ? 0.325 8.585 0.744 1.00 97.12 17 A 1 ATOM 139 C CG1 . ILE A 1 17 ? -0.260 8.453 2.166 1.00 95.24 17 A 1 ATOM 140 C CG2 . ILE A 1 17 ? 1.445 9.640 0.748 1.00 94.43 17 A 1 ATOM 141 C CD1 . ILE A 1 17 ? 0.702 7.810 3.167 1.00 90.42 17 A 1 ATOM 142 N N . SER A 1 18 ? 0.142 8.350 -2.451 1.00 96.94 18 A 1 ATOM 143 C CA . SER A 1 18 ? 0.673 8.597 -3.793 1.00 96.69 18 A 1 ATOM 144 C C . SER A 1 18 ? -0.329 9.351 -4.666 1.00 96.65 18 A 1 ATOM 145 O O . SER A 1 18 ? 0.059 10.267 -5.381 1.00 95.72 18 A 1 ATOM 146 C CB . SER A 1 18 ? 1.048 7.276 -4.455 1.00 95.70 18 A 1 ATOM 147 O OG . SER A 1 18 ? 1.756 7.532 -5.652 1.00 87.16 18 A 1 ATOM 148 N N . PHE A 1 19 ? -1.614 9.017 -4.577 1.00 96.90 19 A 1 ATOM 149 C CA . PHE A 1 19 ? -2.673 9.724 -5.294 1.00 96.77 19 A 1 ATOM 150 C C . PHE A 1 19 ? -2.860 11.152 -4.774 1.00 97.24 19 A 1 ATOM 151 O O . PHE A 1 19 ? -3.044 12.073 -5.562 1.00 96.51 19 A 1 ATOM 152 C CB . PHE A 1 19 ? -3.973 8.922 -5.174 1.00 96.14 19 A 1 ATOM 153 C CG . PHE A 1 19 ? -5.093 9.505 -6.004 1.00 93.49 19 A 1 ATOM 154 C CD1 . PHE A 1 19 ? -6.049 10.345 -5.421 1.00 90.17 19 A 1 ATOM 155 C CD2 . PHE A 1 19 ? -5.155 9.236 -7.379 1.00 90.20 19 A 1 ATOM 156 C CE1 . PHE A 1 19 ? -7.066 10.911 -6.204 1.00 89.62 19 A 1 ATOM 157 C CE2 . PHE A 1 19 ? -6.172 9.805 -8.164 1.00 89.43 19 A 1 ATOM 158 C CZ . PHE A 1 19 ? -7.123 10.638 -7.574 1.00 89.41 19 A 1 ATOM 159 N N . ALA A 1 20 ? -2.764 11.359 -3.462 1.00 95.29 20 A 1 ATOM 160 C CA . ALA A 1 20 ? -2.898 12.687 -2.856 1.00 94.91 20 A 1 ATOM 161 C C . ALA A 1 20 ? -1.679 13.594 -3.109 1.00 95.25 20 A 1 ATOM 162 O O . ALA A 1 20 ? -1.805 14.817 -3.045 1.00 94.10 20 A 1 ATOM 163 C CB . ALA A 1 20 ? -3.147 12.502 -1.354 1.00 93.99 20 A 1 ATOM 164 N N . CYS A 1 21 ? -0.515 13.020 -3.363 1.00 93.87 21 A 1 ATOM 165 C CA . CYS A 1 21 ? 0.735 13.750 -3.591 1.00 94.49 21 A 1 ATOM 166 C C . CYS A 1 21 ? 1.047 13.946 -5.086 1.00 95.19 21 A 1 ATOM 167 O O . CYS A 1 21 ? 1.985 14.677 -5.408 1.00 93.68 21 A 1 ATOM 168 C CB . CYS A 1 21 ? 1.862 13.007 -2.851 1.00 92.08 21 A 1 ATOM 169 S SG . CYS A 1 21 ? 3.315 14.052 -2.648 1.00 83.52 21 A 1 ATOM 170 N N . ALA A 1 22 ? 0.291 13.325 -5.963 1.00 89.96 22 A 1 ATOM 171 C CA . ALA A 1 22 ? 0.448 13.468 -7.412 1.00 87.96 22 A 1 ATOM 172 C C . ALA A 1 22 ? -0.077 14.825 -7.905 1.00 84.66 22 A 1 ATOM 173 O O . ALA A 1 22 ? 0.594 15.423 -8.774 1.00 78.72 22 A 1 ATOM 174 C CB . ALA A 1 22 ? -0.272 12.304 -8.095 1.00 82.54 22 A 1 ATOM 175 O OXT . ALA A 1 22 ? -1.148 15.255 -7.425 1.00 71.23 22 A 1 #