# 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_spkb23803 # _entry.id spkb23803 # 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 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" "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" "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 LYS 4 1 n LEU 5 1 n LEU 6 1 n SER 7 1 n VAL 8 1 n ALA 9 1 n ALA 10 1 n VAL 11 1 n ALA 12 1 n SER 13 1 n VAL 14 1 n PHE 15 1 n THR 16 1 n LEU 17 1 n ALA 18 1 n ALA 19 # _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 @ 2025-07-04 05:55:31)" _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 92.47 _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 84.90 1 1 A LYS 2 2 87.57 1 2 A LYS 3 2 89.22 1 3 A LYS 4 2 90.12 1 4 A LEU 5 2 89.08 1 5 A LEU 6 2 93.67 1 6 A SER 7 2 93.61 1 7 A VAL 8 2 96.66 1 8 A ALA 9 2 96.70 1 9 A ALA 10 2 96.56 1 10 A VAL 11 2 96.76 1 11 A ALA 12 2 96.69 1 12 A SER 13 2 94.67 1 13 A VAL 14 2 96.13 1 14 A PHE 15 2 94.24 1 15 A THR 16 2 94.57 1 16 A LEU 17 2 90.70 1 17 A ALA 18 2 95.76 1 18 A ALA 19 2 87.20 1 19 # _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 LYS . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n SER . 7 A 7 A 8 1 n VAL . 8 A 8 A 9 1 n ALA . 9 A 9 A 10 1 n ALA . 10 A 10 A 11 1 n VAL . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n SER . 13 A 13 A 14 1 n VAL . 14 A 14 A 15 1 n PHE . 15 A 15 A 16 1 n THR . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n ALA . 18 A 18 A 19 1 n ALA . 19 A 19 # _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 ? 7.928 -10.681 5.798 1.00 89.17 1 A 1 ATOM 2 C CA . MET A 1 1 ? 6.689 -10.185 5.164 1.00 91.41 1 A 1 ATOM 3 C C . MET A 1 1 ? 7.016 -9.118 4.126 1.00 92.22 1 A 1 ATOM 4 O O . MET A 1 1 ? 7.261 -7.968 4.474 1.00 89.67 1 A 1 ATOM 5 C CB . MET A 1 1 ? 5.778 -9.587 6.228 1.00 86.66 1 A 1 ATOM 6 C CG . MET A 1 1 ? 5.385 -10.629 7.257 1.00 83.07 1 A 1 ATOM 7 S SD . MET A 1 1 ? 4.370 -9.956 8.567 1.00 77.95 1 A 1 ATOM 8 C CE . MET A 1 1 ? 4.163 -11.401 9.584 1.00 69.07 1 A 1 ATOM 9 N N . LYS A 1 2 ? 7.025 -9.497 2.867 1.00 93.44 2 A 1 ATOM 10 C CA . LYS A 1 2 ? 7.366 -8.574 1.782 1.00 94.74 2 A 1 ATOM 11 C C . LYS A 1 2 ? 6.127 -8.181 0.973 1.00 95.22 2 A 1 ATOM 12 O O . LYS A 1 2 ? 6.234 -7.513 -0.049 1.00 94.05 2 A 1 ATOM 13 C CB . LYS A 1 2 ? 8.405 -9.241 0.874 1.00 92.76 2 A 1 ATOM 14 C CG . LYS A 1 2 ? 9.675 -9.616 1.625 1.00 85.91 2 A 1 ATOM 15 C CD . LYS A 1 2 ? 10.623 -10.396 0.734 1.00 84.93 2 A 1 ATOM 16 C CE . LYS A 1 2 ? 11.861 -10.814 1.496 1.00 77.04 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? 12.748 -11.661 0.654 1.00 70.05 2 A 1 ATOM 18 N N . LYS A 1 3 ? 4.969 -8.592 1.420 1.00 94.71 3 A 1 ATOM 19 C CA . LYS A 1 3 ? 3.720 -8.300 0.718 1.00 96.06 3 A 1 ATOM 20 C C . LYS A 1 3 ? 2.847 -7.334 1.513 1.00 96.74 3 A 1 ATOM 21 O O . LYS A 1 3 ? 1.848 -6.827 1.008 1.00 95.25 3 A 1 ATOM 22 C CB . LYS A 1 3 ? 2.968 -9.612 0.450 1.00 94.65 3 A 1 ATOM 23 C CG . LYS A 1 3 ? 2.698 -10.402 1.728 1.00 88.82 3 A 1 ATOM 24 C CD . LYS A 1 3 ? 2.275 -11.823 1.415 1.00 86.26 3 A 1 ATOM 25 C CE . LYS A 1 3 ? 2.183 -12.654 2.677 1.00 78.97 3 A 1 ATOM 26 N NZ . LYS A 1 3 ? 1.897 -14.077 2.362 1.00 71.51 3 A 1 ATOM 27 N N . LYS A 1 4 ? 3.231 -7.086 2.762 1.00 95.70 4 A 1 ATOM 28 C CA . LYS A 1 4 ? 2.470 -6.193 3.628 1.00 96.59 4 A 1 ATOM 29 C C . LYS A 1 4 ? 2.627 -4.746 3.169 1.00 97.31 4 A 1 ATOM 30 O O . LYS A 1 4 ? 1.651 -4.003 3.067 1.00 96.63 4 A 1 ATOM 31 C CB . LYS A 1 4 ? 2.956 -6.342 5.073 1.00 96.25 4 A 1 ATOM 32 C CG . LYS A 1 4 ? 1.815 -6.326 6.069 1.00 91.68 4 A 1 ATOM 33 C CD . LYS A 1 4 ? 1.374 -7.748 6.396 1.00 86.18 4 A 1 ATOM 34 C CE . LYS A 1 4 ? 0.181 -7.760 7.321 1.00 79.66 4 A 1 ATOM 35 N NZ . LYS A 1 4 ? -0.102 -9.120 7.849 1.00 71.08 4 A 1 ATOM 36 N N . LEU A 1 5 ? 3.851 -4.361 2.890 1.00 89.35 5 A 1 ATOM 37 C CA . LEU A 1 5 ? 4.140 -3.000 2.444 1.00 91.04 5 A 1 ATOM 38 C C . LEU A 1 5 ? 3.552 -2.740 1.063 1.00 93.78 5 A 1 ATOM 39 O O . LEU A 1 5 ? 3.099 -1.635 0.767 1.00 91.98 5 A 1 ATOM 40 C CB . LEU A 1 5 ? 5.657 -2.791 2.432 1.00 91.02 5 A 1 ATOM 41 C CG . LEU A 1 5 ? 6.135 -1.771 3.450 1.00 86.91 5 A 1 ATOM 42 C CD1 . LEU A 1 5 ? 7.611 -1.960 3.760 1.00 84.41 5 A 1 ATOM 43 C CD2 . LEU A 1 5 ? 5.887 -0.365 2.934 1.00 84.13 5 A 1 ATOM 44 N N . LEU A 1 6 ? 3.546 -3.757 0.233 1.00 96.14 6 A 1 ATOM 45 C CA . LEU A 1 6 ? 3.012 -3.630 -1.123 1.00 96.23 6 A 1 ATOM 46 C C . LEU A 1 6 ? 1.530 -3.279 -1.096 1.00 96.68 6 A 1 ATOM 47 O O . LEU A 1 6 ? 1.073 -2.425 -1.854 1.00 95.95 6 A 1 ATOM 48 C CB . LEU A 1 6 ? 3.231 -4.947 -1.873 1.00 96.42 6 A 1 ATOM 49 C CG . LEU A 1 6 ? 4.671 -5.138 -2.342 1.00 92.49 6 A 1 ATOM 50 C CD1 . LEU A 1 6 ? 4.954 -6.606 -2.617 1.00 88.52 6 A 1 ATOM 51 C CD2 . LEU A 1 6 ? 4.918 -4.322 -3.603 1.00 86.92 6 A 1 ATOM 52 N N . SER A 1 7 ? 0.795 -3.919 -0.224 1.00 96.30 7 A 1 ATOM 53 C CA . SER A 1 7 ? -0.641 -3.677 -0.108 1.00 96.24 7 A 1 ATOM 54 C C . SER A 1 7 ? -0.915 -2.280 0.443 1.00 96.61 7 A 1 ATOM 55 O O . SER A 1 7 ? -1.739 -1.543 -0.093 1.00 96.18 7 A 1 ATOM 56 C CB . SER A 1 7 ? -1.275 -4.731 0.801 1.00 95.56 7 A 1 ATOM 57 O OG . SER A 1 7 ? -1.189 -6.012 0.213 1.00 80.80 7 A 1 ATOM 58 N N . VAL A 1 8 ? -0.225 -1.928 1.502 1.00 97.66 8 A 1 ATOM 59 C CA . VAL A 1 8 ? -0.403 -0.620 2.130 1.00 97.61 8 A 1 ATOM 60 C C . VAL A 1 8 ? 0.017 0.497 1.181 1.00 97.61 8 A 1 ATOM 61 O O . VAL A 1 8 ? -0.672 1.513 1.056 1.00 97.15 8 A 1 ATOM 62 C CB . VAL A 1 8 ? 0.407 -0.533 3.434 1.00 97.27 8 A 1 ATOM 63 C CG1 . VAL A 1 8 ? 0.252 0.840 4.071 1.00 94.65 8 A 1 ATOM 64 C CG2 . VAL A 1 8 ? -0.049 -1.613 4.404 1.00 94.64 8 A 1 ATOM 65 N N . ALA A 1 9 ? 1.137 0.308 0.523 1.00 97.20 9 A 1 ATOM 66 C CA . ALA A 1 9 ? 1.651 1.311 -0.408 1.00 96.88 9 A 1 ATOM 67 C C . ALA A 1 9 ? 0.702 1.505 -1.588 1.00 97.03 9 A 1 ATOM 68 O O . ALA A 1 9 ? 0.454 2.632 -2.019 1.00 96.03 9 A 1 ATOM 69 C CB . ALA A 1 9 ? 3.028 0.886 -0.907 1.00 96.35 9 A 1 ATOM 70 N N . ALA A 1 10 ? 0.168 0.418 -2.095 1.00 96.93 10 A 1 ATOM 71 C CA . ALA A 1 10 ? -0.755 0.472 -3.226 1.00 96.77 10 A 1 ATOM 72 C C . ALA A 1 10 ? -2.033 1.217 -2.854 1.00 97.19 10 A 1 ATOM 73 O O . ALA A 1 10 ? -2.499 2.076 -3.598 1.00 95.79 10 A 1 ATOM 74 C CB . ALA A 1 10 ? -1.081 -0.945 -3.685 1.00 96.10 10 A 1 ATOM 75 N N . VAL A 1 11 ? -2.592 0.890 -1.707 1.00 97.91 11 A 1 ATOM 76 C CA . VAL A 1 11 ? -3.823 1.532 -1.241 1.00 97.85 11 A 1 ATOM 77 C C . VAL A 1 11 ? -3.590 3.020 -1.005 1.00 97.90 11 A 1 ATOM 78 O O . VAL A 1 11 ? -4.423 3.857 -1.364 1.00 97.22 11 A 1 ATOM 79 C CB . VAL A 1 11 ? -4.324 0.863 0.048 1.00 97.32 11 A 1 ATOM 80 C CG1 . VAL A 1 11 ? -5.532 1.603 0.600 1.00 94.08 11 A 1 ATOM 81 C CG2 . VAL A 1 11 ? -4.681 -0.589 -0.221 1.00 95.04 11 A 1 ATOM 82 N N . ALA A 1 12 ? -2.468 3.343 -0.396 1.00 97.19 12 A 1 ATOM 83 C CA . ALA A 1 12 ? -2.130 4.737 -0.111 1.00 96.91 12 A 1 ATOM 84 C C . ALA A 1 12 ? -2.005 5.543 -1.402 1.00 97.25 12 A 1 ATOM 85 O O . ALA A 1 12 ? -2.461 6.684 -1.481 1.00 95.93 12 A 1 ATOM 86 C CB . ALA A 1 12 ? -0.821 4.795 0.672 1.00 96.18 12 A 1 ATOM 87 N N . SER A 1 13 ? -1.404 4.951 -2.407 1.00 96.87 13 A 1 ATOM 88 C CA . SER A 1 13 ? -1.217 5.614 -3.697 1.00 96.68 13 A 1 ATOM 89 C C . SER A 1 13 ? -2.559 5.876 -4.381 1.00 97.18 13 A 1 ATOM 90 O O . SER A 1 13 ? -2.788 6.945 -4.940 1.00 95.78 13 A 1 ATOM 91 C CB . SER A 1 13 ? -0.333 4.755 -4.602 1.00 95.36 13 A 1 ATOM 92 O OG . SER A 1 13 ? 0.035 5.479 -5.750 1.00 86.13 13 A 1 ATOM 93 N N . VAL A 1 14 ? -3.442 4.895 -4.328 1.00 97.15 14 A 1 ATOM 94 C CA . VAL A 1 14 ? -4.769 5.021 -4.936 1.00 97.42 14 A 1 ATOM 95 C C . VAL A 1 14 ? -5.582 6.100 -4.228 1.00 97.87 14 A 1 ATOM 96 O O . VAL A 1 14 ? -6.284 6.888 -4.865 1.00 97.13 14 A 1 ATOM 97 C CB . VAL A 1 14 ? -5.517 3.677 -4.878 1.00 96.68 14 A 1 ATOM 98 C CG1 . VAL A 1 14 ? -6.932 3.829 -5.417 1.00 93.28 14 A 1 ATOM 99 C CG2 . VAL A 1 14 ? -4.766 2.625 -5.684 1.00 93.39 14 A 1 ATOM 100 N N . PHE A 1 15 ? -5.495 6.117 -2.911 1.00 97.55 15 A 1 ATOM 101 C CA . PHE A 1 15 ? -6.227 7.100 -2.112 1.00 97.47 15 A 1 ATOM 102 C C . PHE A 1 15 ? -5.759 8.514 -2.450 1.00 97.84 15 A 1 ATOM 103 O O . PHE A 1 15 ? -6.566 9.438 -2.556 1.00 97.14 15 A 1 ATOM 104 C CB . PHE A 1 15 ? -6.012 6.818 -0.626 1.00 97.01 15 A 1 ATOM 105 C CG . PHE A 1 15 ? -7.039 7.501 0.238 1.00 94.41 15 A 1 ATOM 106 C CD1 . PHE A 1 15 ? -6.799 8.767 0.755 1.00 91.32 15 A 1 ATOM 107 C CD2 . PHE A 1 15 ? -8.249 6.879 0.523 1.00 92.01 15 A 1 ATOM 108 C CE1 . PHE A 1 15 ? -7.751 9.407 1.543 1.00 90.46 15 A 1 ATOM 109 C CE2 . PHE A 1 15 ? -9.204 7.513 1.313 1.00 90.53 15 A 1 ATOM 110 C CZ . PHE A 1 15 ? -8.951 8.779 1.823 1.00 90.93 15 A 1 ATOM 111 N N . THR A 1 16 ? -4.474 8.672 -2.612 1.00 96.37 16 A 1 ATOM 112 C CA . THR A 1 16 ? -3.897 9.975 -2.944 1.00 96.18 16 A 1 ATOM 113 C C . THR A 1 16 ? -4.307 10.406 -4.352 1.00 96.70 16 A 1 ATOM 114 O O . THR A 1 16 ? -4.527 11.589 -4.614 1.00 95.27 16 A 1 ATOM 115 C CB . THR A 1 16 ? -2.368 9.917 -2.857 1.00 95.55 16 A 1 ATOM 116 O OG1 . THR A 1 16 ? -1.975 9.426 -1.581 1.00 91.33 16 A 1 ATOM 117 C CG2 . THR A 1 16 ? -1.768 11.305 -3.046 1.00 90.62 16 A 1 ATOM 118 N N . LEU A 1 17 ? -4.409 9.447 -5.240 1.00 94.27 17 A 1 ATOM 119 C CA . LEU A 1 17 ? -4.790 9.727 -6.624 1.00 94.27 17 A 1 ATOM 120 C C . LEU A 1 17 ? -6.212 10.274 -6.701 1.00 95.41 17 A 1 ATOM 121 O O . LEU A 1 17 ? -6.526 11.082 -7.575 1.00 94.17 17 A 1 ATOM 122 C CB . LEU A 1 17 ? -4.682 8.438 -7.447 1.00 93.48 17 A 1 ATOM 123 C CG . LEU A 1 17 ? -4.791 8.669 -8.949 1.00 87.82 17 A 1 ATOM 124 C CD1 . LEU A 1 17 ? -3.536 9.355 -9.469 1.00 83.07 17 A 1 ATOM 125 C CD2 . LEU A 1 17 ? -4.999 7.347 -9.674 1.00 83.09 17 A 1 ATOM 126 N N . ALA A 1 18 ? -7.061 9.836 -5.792 1.00 96.09 18 A 1 ATOM 127 C CA . ALA A 1 18 ? -8.456 10.278 -5.762 1.00 95.89 18 A 1 ATOM 128 C C . ALA A 1 18 ? -8.562 11.773 -5.465 1.00 96.47 18 A 1 ATOM 129 O O . ALA A 1 18 ? -9.502 12.441 -5.901 1.00 95.62 18 A 1 ATOM 130 C CB . ALA A 1 18 ? -9.227 9.474 -4.716 1.00 94.75 18 A 1 ATOM 131 N N . ALA A 1 19 ? -7.606 12.296 -4.716 1.00 93.59 19 A 1 ATOM 132 C CA . ALA A 1 19 ? -7.591 13.706 -4.353 1.00 91.03 19 A 1 ATOM 133 C C . ALA A 1 19 ? -7.056 14.572 -5.500 1.00 88.80 19 A 1 ATOM 134 O O . ALA A 1 19 ? -6.486 14.032 -6.460 1.00 85.24 19 A 1 ATOM 135 C CB . ALA A 1 19 ? -6.762 13.903 -3.088 1.00 86.52 19 A 1 ATOM 136 O OXT . ALA A 1 19 ? -7.191 15.807 -5.436 1.00 78.01 19 A 1 #