# 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_spkb34350 # _entry.id spkb34350 # 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" "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" "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 ILE 2 1 n ARG 3 1 n VAL 4 1 n ILE 5 1 n SER 6 1 n LEU 7 1 n PHE 8 1 n LEU 9 1 n VAL 10 1 n PHE 11 1 n VAL 12 1 n SER 13 1 n LEU 14 1 n ALA 15 1 n SER 16 1 n ALA 17 # _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 @ 2025-07-12 03:45:37)" _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 89.86 _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 81.29 1 1 A ILE 2 2 83.07 1 2 A ARG 3 2 82.72 1 3 A VAL 4 2 92.83 1 4 A ILE 5 2 90.12 1 5 A SER 6 2 92.98 1 6 A LEU 7 2 91.14 1 7 A PHE 8 2 90.00 1 8 A LEU 9 2 92.57 1 9 A VAL 10 2 94.29 1 10 A PHE 11 2 90.41 1 11 A VAL 12 2 94.34 1 12 A SER 13 2 94.67 1 13 A LEU 14 2 91.85 1 14 A ALA 15 2 95.93 1 15 A SER 16 2 91.94 1 16 A ALA 17 2 84.85 1 17 # _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 ILE . 2 A 2 A 3 1 n ARG . 3 A 3 A 4 1 n VAL . 4 A 4 A 5 1 n ILE . 5 A 5 A 6 1 n SER . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n PHE . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n VAL . 10 A 10 A 11 1 n PHE . 11 A 11 A 12 1 n VAL . 12 A 12 A 13 1 n SER . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n ALA . 15 A 15 A 16 1 n SER . 16 A 16 A 17 1 n ALA . 17 A 17 # _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 ? -12.979 4.862 4.546 1.00 86.27 1 A 1 ATOM 2 C CA . MET A 1 1 ? -12.193 4.089 3.569 1.00 88.77 1 A 1 ATOM 3 C C . MET A 1 1 ? -11.037 3.368 4.240 1.00 89.12 1 A 1 ATOM 4 O O . MET A 1 1 ? -10.600 3.763 5.324 1.00 86.49 1 A 1 ATOM 5 C CB . MET A 1 1 ? -11.641 5.005 2.483 1.00 82.78 1 A 1 ATOM 6 C CG . MET A 1 1 ? -12.728 5.671 1.670 1.00 76.45 1 A 1 ATOM 7 S SD . MET A 1 1 ? -12.100 6.514 0.218 1.00 73.62 1 A 1 ATOM 8 C CE . MET A 1 1 ? -11.377 7.968 0.952 1.00 66.79 1 A 1 ATOM 9 N N . ILE A 1 2 ? -10.533 2.342 3.597 1.00 84.87 2 A 1 ATOM 10 C CA . ILE A 1 2 ? -9.438 1.554 4.152 1.00 88.09 2 A 1 ATOM 11 C C . ILE A 1 2 ? -8.118 1.940 3.486 1.00 90.01 2 A 1 ATOM 12 O O . ILE A 1 2 ? -7.729 1.367 2.464 1.00 85.84 2 A 1 ATOM 13 C CB . ILE A 1 2 ? -9.679 0.058 3.970 1.00 84.75 2 A 1 ATOM 14 C CG1 . ILE A 1 2 ? -11.111 -0.318 4.328 1.00 79.55 2 A 1 ATOM 15 C CG2 . ILE A 1 2 ? -8.693 -0.721 4.844 1.00 78.99 2 A 1 ATOM 16 C CD1 . ILE A 1 2 ? -11.485 -1.702 3.856 1.00 72.42 2 A 1 ATOM 17 N N . ARG A 1 3 ? -7.453 2.920 4.065 1.00 91.78 3 A 1 ATOM 18 C CA . ARG A 1 3 ? -6.173 3.384 3.540 1.00 93.19 3 A 1 ATOM 19 C C . ARG A 1 3 ? -5.107 2.302 3.641 1.00 93.91 3 A 1 ATOM 20 O O . ARG A 1 3 ? -4.188 2.249 2.828 1.00 91.68 3 A 1 ATOM 21 C CB . ARG A 1 3 ? -5.705 4.624 4.303 1.00 91.05 3 A 1 ATOM 22 C CG . ARG A 1 3 ? -6.274 5.921 3.784 1.00 83.01 3 A 1 ATOM 23 C CD . ARG A 1 3 ? -7.605 6.244 4.439 1.00 81.55 3 A 1 ATOM 24 N NE . ARG A 1 3 ? -7.595 5.990 5.884 1.00 76.54 3 A 1 ATOM 25 C CZ . ARG A 1 3 ? -6.803 6.612 6.745 1.00 72.11 3 A 1 ATOM 26 N NH1 . ARG A 1 3 ? -5.907 7.483 6.342 1.00 66.71 3 A 1 ATOM 27 N NH2 . ARG A 1 3 ? -6.892 6.333 8.038 1.00 68.37 3 A 1 ATOM 28 N N . VAL A 1 4 ? -5.233 1.470 4.643 1.00 94.49 4 A 1 ATOM 29 C CA . VAL A 1 4 ? -4.273 0.394 4.882 1.00 95.69 4 A 1 ATOM 30 C C . VAL A 1 4 ? -4.169 -0.531 3.670 1.00 96.17 4 A 1 ATOM 31 O O . VAL A 1 4 ? -3.083 -0.990 3.315 1.00 94.61 4 A 1 ATOM 32 C CB . VAL A 1 4 ? -4.661 -0.428 6.120 1.00 94.07 4 A 1 ATOM 33 C CG1 . VAL A 1 4 ? -3.558 -1.415 6.454 1.00 87.22 4 A 1 ATOM 34 C CG2 . VAL A 1 4 ? -4.937 0.477 7.305 1.00 87.57 4 A 1 ATOM 35 N N . ILE A 1 5 ? -5.309 -0.789 3.047 1.00 93.24 5 A 1 ATOM 36 C CA . ILE A 1 5 ? -5.345 -1.660 1.876 1.00 93.01 5 A 1 ATOM 37 C C . ILE A 1 5 ? -4.548 -1.052 0.732 1.00 94.05 5 A 1 ATOM 38 O O . ILE A 1 5 ? -3.766 -1.730 0.064 1.00 92.90 5 A 1 ATOM 39 C CB . ILE A 1 5 ? -6.791 -1.913 1.421 1.00 92.33 5 A 1 ATOM 40 C CG1 . ILE A 1 5 ? -7.615 -2.503 2.567 1.00 88.02 5 A 1 ATOM 41 C CG2 . ILE A 1 5 ? -6.807 -2.850 0.211 1.00 86.54 5 A 1 ATOM 42 C CD1 . ILE A 1 5 ? -7.041 -3.810 3.098 1.00 80.87 5 A 1 ATOM 43 N N . SER A 1 6 ? -4.758 0.233 0.506 1.00 94.76 6 A 1 ATOM 44 C CA . SER A 1 6 ? -4.054 0.947 -0.553 1.00 95.46 6 A 1 ATOM 45 C C . SER A 1 6 ? -2.555 0.956 -0.290 1.00 95.96 6 A 1 ATOM 46 O O . SER A 1 6 ? -1.752 0.759 -1.200 1.00 94.96 6 A 1 ATOM 47 C CB . SER A 1 6 ? -4.569 2.377 -0.656 1.00 94.47 6 A 1 ATOM 48 O OG . SER A 1 6 ? -4.068 2.994 -1.815 1.00 82.29 6 A 1 ATOM 49 N N . LEU A 1 7 ? -2.198 1.173 0.957 1.00 94.72 7 A 1 ATOM 50 C CA . LEU A 1 7 ? -0.800 1.186 1.358 1.00 95.07 7 A 1 ATOM 51 C C . LEU A 1 7 ? -0.166 -0.179 1.134 1.00 95.87 7 A 1 ATOM 52 O O . LEU A 1 7 ? 0.984 -0.280 0.710 1.00 95.27 7 A 1 ATOM 53 C CB . LEU A 1 7 ? -0.688 1.581 2.832 1.00 94.97 7 A 1 ATOM 54 C CG . LEU A 1 7 ? 0.653 2.210 3.201 1.00 86.48 7 A 1 ATOM 55 C CD1 . LEU A 1 7 ? 0.760 3.605 2.595 1.00 82.90 7 A 1 ATOM 56 C CD2 . LEU A 1 7 ? 0.813 2.276 4.708 1.00 83.81 7 A 1 ATOM 57 N N . PHE A 1 8 ? -0.928 -1.218 1.430 1.00 93.47 8 A 1 ATOM 58 C CA . PHE A 1 8 ? -0.458 -2.586 1.248 1.00 93.92 8 A 1 ATOM 59 C C . PHE A 1 8 ? -0.142 -2.850 -0.215 1.00 95.10 8 A 1 ATOM 60 O O . PHE A 1 8 ? 0.891 -3.433 -0.545 1.00 94.52 8 A 1 ATOM 61 C CB . PHE A 1 8 ? -1.523 -3.570 1.733 1.00 93.56 8 A 1 ATOM 62 C CG . PHE A 1 8 ? -1.087 -4.353 2.947 1.00 90.40 8 A 1 ATOM 63 C CD1 . PHE A 1 8 ? -0.852 -3.712 4.148 1.00 86.65 8 A 1 ATOM 64 C CD2 . PHE A 1 8 ? -0.914 -5.726 2.870 1.00 87.15 8 A 1 ATOM 65 C CE1 . PHE A 1 8 ? -0.449 -4.424 5.266 1.00 84.88 8 A 1 ATOM 66 C CE2 . PHE A 1 8 ? -0.512 -6.446 3.987 1.00 85.22 8 A 1 ATOM 67 C CZ . PHE A 1 8 ? -0.280 -5.797 5.184 1.00 85.17 8 A 1 ATOM 68 N N . LEU A 1 9 ? -1.048 -2.411 -1.090 1.00 95.51 9 A 1 ATOM 69 C CA . LEU A 1 9 ? -0.870 -2.594 -2.522 1.00 95.76 9 A 1 ATOM 70 C C . LEU A 1 9 ? 0.367 -1.854 -3.012 1.00 96.40 9 A 1 ATOM 71 O O . LEU A 1 9 ? 1.126 -2.366 -3.836 1.00 96.01 9 A 1 ATOM 72 C CB . LEU A 1 9 ? -2.111 -2.104 -3.274 1.00 95.44 9 A 1 ATOM 73 C CG . LEU A 1 9 ? -3.140 -3.190 -3.576 1.00 89.29 9 A 1 ATOM 74 C CD1 . LEU A 1 9 ? -2.567 -4.173 -4.575 1.00 85.77 9 A 1 ATOM 75 C CD2 . LEU A 1 9 ? -3.549 -3.901 -2.301 1.00 86.41 9 A 1 ATOM 76 N N . VAL A 1 10 ? 0.563 -0.645 -2.505 1.00 95.79 10 A 1 ATOM 77 C CA . VAL A 1 10 ? 1.721 0.161 -2.873 1.00 95.65 10 A 1 ATOM 78 C C . VAL A 1 10 ? 3.007 -0.502 -2.397 1.00 96.33 10 A 1 ATOM 79 O O . VAL A 1 10 ? 4.013 -0.520 -3.110 1.00 95.50 10 A 1 ATOM 80 C CB . VAL A 1 10 ? 1.622 1.574 -2.277 1.00 94.58 10 A 1 ATOM 81 C CG1 . VAL A 1 10 ? 2.878 2.375 -2.588 1.00 91.26 10 A 1 ATOM 82 C CG2 . VAL A 1 10 ? 0.398 2.286 -2.819 1.00 90.95 10 A 1 ATOM 83 N N . PHE A 1 11 ? 2.963 -1.034 -1.190 1.00 93.47 11 A 1 ATOM 84 C CA . PHE A 1 11 ? 4.119 -1.717 -0.620 1.00 94.05 11 A 1 ATOM 85 C C . PHE A 1 11 ? 4.518 -2.903 -1.477 1.00 95.23 11 A 1 ATOM 86 O O . PHE A 1 11 ? 5.697 -3.115 -1.763 1.00 94.28 11 A 1 ATOM 87 C CB . PHE A 1 11 ? 3.798 -2.188 0.797 1.00 93.40 11 A 1 ATOM 88 C CG . PHE A 1 11 ? 4.649 -1.508 1.846 1.00 90.27 11 A 1 ATOM 89 C CD1 . PHE A 1 11 ? 4.557 -0.142 2.047 1.00 87.91 11 A 1 ATOM 90 C CD2 . PHE A 1 11 ? 5.530 -2.244 2.618 1.00 87.87 11 A 1 ATOM 91 C CE1 . PHE A 1 11 ? 5.334 0.486 3.002 1.00 86.30 11 A 1 ATOM 92 C CE2 . PHE A 1 11 ? 6.310 -1.621 3.578 1.00 86.27 11 A 1 ATOM 93 C CZ . PHE A 1 11 ? 6.214 -0.253 3.772 1.00 85.44 11 A 1 ATOM 94 N N . VAL A 1 12 ? 3.522 -3.675 -1.886 1.00 96.42 12 A 1 ATOM 95 C CA . VAL A 1 12 ? 3.765 -4.843 -2.724 1.00 96.14 12 A 1 ATOM 96 C C . VAL A 1 12 ? 4.312 -4.417 -4.081 1.00 96.60 12 A 1 ATOM 97 O O . VAL A 1 12 ? 5.206 -5.065 -4.634 1.00 95.67 12 A 1 ATOM 98 C CB . VAL A 1 12 ? 2.479 -5.664 -2.913 1.00 94.82 12 A 1 ATOM 99 C CG1 . VAL A 1 12 ? 2.734 -6.853 -3.826 1.00 90.06 12 A 1 ATOM 100 C CG2 . VAL A 1 12 ? 1.953 -6.141 -1.570 1.00 90.65 12 A 1 ATOM 101 N N . SER A 1 13 ? 3.779 -3.326 -4.620 1.00 96.65 13 A 1 ATOM 102 C CA . SER A 1 13 ? 4.219 -2.804 -5.908 1.00 96.53 13 A 1 ATOM 103 C C . SER A 1 13 ? 5.684 -2.380 -5.852 1.00 96.86 13 A 1 ATOM 104 O O . SER A 1 13 ? 6.452 -2.661 -6.769 1.00 95.66 13 A 1 ATOM 105 C CB . SER A 1 13 ? 3.354 -1.618 -6.323 1.00 95.62 13 A 1 ATOM 106 O OG . SER A 1 13 ? 2.043 -2.038 -6.623 1.00 86.67 13 A 1 ATOM 107 N N . LEU A 1 14 ? 6.065 -1.713 -4.769 1.00 96.26 14 A 1 ATOM 108 C CA . LEU A 1 14 ? 7.440 -1.266 -4.580 1.00 96.05 14 A 1 ATOM 109 C C . LEU A 1 14 ? 8.385 -2.452 -4.485 1.00 96.41 14 A 1 ATOM 110 O O . LEU A 1 14 ? 9.516 -2.405 -4.972 1.00 95.08 14 A 1 ATOM 111 C CB . LEU A 1 14 ? 7.543 -0.407 -3.317 1.00 94.99 14 A 1 ATOM 112 C CG . LEU A 1 14 ? 7.509 1.097 -3.576 1.00 88.22 14 A 1 ATOM 113 C CD1 . LEU A 1 14 ? 8.767 1.528 -4.291 1.00 84.02 14 A 1 ATOM 114 C CD2 . LEU A 1 14 ? 6.280 1.463 -4.379 1.00 83.76 14 A 1 ATOM 115 N N . ALA A 1 15 ? 7.918 -3.506 -3.836 1.00 96.74 15 A 1 ATOM 116 C CA . ALA A 1 15 ? 8.717 -4.714 -3.679 1.00 96.33 15 A 1 ATOM 117 C C . ALA A 1 15 ? 8.843 -5.469 -4.998 1.00 96.55 15 A 1 ATOM 118 O O . ALA A 1 15 ? 9.837 -6.159 -5.237 1.00 95.29 15 A 1 ATOM 119 C CB . ALA A 1 15 ? 8.092 -5.615 -2.618 1.00 94.75 15 A 1 ATOM 120 N N . SER A 1 16 ? 7.827 -5.346 -5.846 1.00 95.69 16 A 1 ATOM 121 C CA . SER A 1 16 ? 7.813 -6.023 -7.140 1.00 95.29 16 A 1 ATOM 122 C C . SER A 1 16 ? 8.532 -5.207 -8.209 1.00 94.73 16 A 1 ATOM 123 O O . SER A 1 16 ? 9.184 -5.762 -9.096 1.00 90.42 16 A 1 ATOM 124 C CB . SER A 1 16 ? 6.376 -6.293 -7.582 1.00 92.58 16 A 1 ATOM 125 O OG . SER A 1 16 ? 5.749 -7.206 -6.711 1.00 82.95 16 A 1 ATOM 126 N N . ALA A 1 17 ? 8.409 -3.892 -8.117 1.00 92.28 17 A 1 ATOM 127 C CA . ALA A 1 17 ? 9.018 -2.995 -9.091 1.00 89.30 17 A 1 ATOM 128 C C . ALA A 1 17 ? 10.303 -2.379 -8.545 1.00 87.06 17 A 1 ATOM 129 O O . ALA A 1 17 ? 11.160 -3.112 -8.033 1.00 81.63 17 A 1 ATOM 130 C CB . ALA A 1 17 ? 8.026 -1.897 -9.470 1.00 83.43 17 A 1 ATOM 131 O OXT . ALA A 1 17 ? 10.482 -1.172 -8.650 1.00 75.39 17 A 1 #