# 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_spkb19308 # _entry.id spkb19308 # 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 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" "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 ALA 3 1 n LYS 4 1 n LEU 5 1 n LEU 6 1 n VAL 7 1 n LEU 8 1 n LEU 9 1 n CYS 10 1 n THR 11 1 n PHE 12 1 n THR 13 1 n ALA 14 1 n THR 15 1 n TYR 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 @ 2025-07-09 11:42:35)" _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 94.50 _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 85.86 1 1 A LYS 2 2 86.42 1 2 A ALA 3 2 96.36 1 3 A LYS 4 2 91.66 1 4 A LEU 5 2 94.16 1 5 A LEU 6 2 94.84 1 6 A VAL 7 2 97.76 1 7 A LEU 8 2 96.36 1 8 A LEU 9 2 96.00 1 9 A CYS 10 2 97.42 1 10 A THR 11 2 97.19 1 11 A PHE 12 2 96.73 1 12 A THR 13 2 97.03 1 13 A ALA 14 2 98.42 1 14 A THR 15 2 97.05 1 15 A TYR 16 2 94.85 1 16 A ALA 17 2 92.58 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 LYS . 2 A 2 A 3 1 n ALA . 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 VAL . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n CYS . 10 A 10 A 11 1 n THR . 11 A 11 A 12 1 n PHE . 12 A 12 A 13 1 n THR . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n THR . 15 A 15 A 16 1 n TYR . 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 ? -13.392 4.866 -0.619 1.00 91.27 1 A 1 ATOM 2 C CA . MET A 1 1 ? -12.391 4.625 -1.683 1.00 92.91 1 A 1 ATOM 3 C C . MET A 1 1 ? -11.781 3.230 -1.552 1.00 94.33 1 A 1 ATOM 4 O O . MET A 1 1 ? -11.691 2.692 -0.459 1.00 91.99 1 A 1 ATOM 5 C CB . MET A 1 1 ? -11.275 5.654 -1.597 1.00 89.35 1 A 1 ATOM 6 C CG . MET A 1 1 ? -11.765 7.069 -1.860 1.00 82.99 1 A 1 ATOM 7 S SD . MET A 1 1 ? -10.414 8.236 -1.965 1.00 76.89 1 A 1 ATOM 8 C CE . MET A 1 1 ? -11.308 9.756 -2.183 1.00 67.19 1 A 1 ATOM 9 N N . LYS A 1 2 ? -11.369 2.653 -2.663 1.00 93.35 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -10.770 1.316 -2.675 1.00 94.56 2 A 1 ATOM 11 C C . LYS A 1 2 ? -9.242 1.372 -2.677 1.00 95.12 2 A 1 ATOM 12 O O . LYS A 1 2 ? -8.582 0.369 -2.424 1.00 94.55 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -11.246 0.544 -3.905 1.00 92.54 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -12.640 -0.031 -3.725 1.00 83.10 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -13.661 0.820 -4.438 1.00 81.96 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -15.055 0.312 -4.200 1.00 75.56 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -15.249 -1.037 -4.806 1.00 67.01 2 A 1 ATOM 18 N N . ALA A 1 3 ? -8.696 2.523 -2.955 1.00 95.04 3 A 1 ATOM 19 C CA . ALA A 1 3 ? -7.244 2.691 -3.033 1.00 96.88 3 A 1 ATOM 20 C C . ALA A 1 3 ? -6.627 3.046 -1.682 1.00 97.71 3 A 1 ATOM 21 O O . ALA A 1 3 ? -5.461 3.434 -1.607 1.00 96.75 3 A 1 ATOM 22 C CB . ALA A 1 3 ? -6.907 3.762 -4.058 1.00 95.40 3 A 1 ATOM 23 N N . LYS A 1 4 ? -7.432 2.911 -0.638 1.00 97.46 4 A 1 ATOM 24 C CA . LYS A 1 4 ? -6.970 3.249 0.710 1.00 97.80 4 A 1 ATOM 25 C C . LYS A 1 4 ? -5.788 2.378 1.114 1.00 98.05 4 A 1 ATOM 26 O O . LYS A 1 4 ? -4.827 2.858 1.713 1.00 97.59 4 A 1 ATOM 27 C CB . LYS A 1 4 ? -8.115 3.079 1.700 1.00 97.35 4 A 1 ATOM 28 C CG . LYS A 1 4 ? -7.775 3.615 3.078 1.00 91.88 4 A 1 ATOM 29 C CD . LYS A 1 4 ? -7.510 5.105 3.041 1.00 88.10 4 A 1 ATOM 30 C CE . LYS A 1 4 ? -7.297 5.667 4.435 1.00 82.28 4 A 1 ATOM 31 N NZ . LYS A 1 4 ? -6.869 7.077 4.380 1.00 74.43 4 A 1 ATOM 32 N N . LEU A 1 5 ? -5.868 1.106 0.784 1.00 96.21 5 A 1 ATOM 33 C CA . LEU A 1 5 ? -4.798 0.166 1.110 1.00 96.82 5 A 1 ATOM 34 C C . LEU A 1 5 ? -3.523 0.497 0.345 1.00 97.62 5 A 1 ATOM 35 O O . LEU A 1 5 ? -2.418 0.319 0.857 1.00 97.53 5 A 1 ATOM 36 C CB . LEU A 1 5 ? -5.241 -1.255 0.776 1.00 96.79 5 A 1 ATOM 37 C CG . LEU A 1 5 ? -4.429 -2.321 1.485 1.00 90.22 5 A 1 ATOM 38 C CD1 . LEU A 1 5 ? -4.783 -2.370 2.958 1.00 88.42 5 A 1 ATOM 39 C CD2 . LEU A 1 5 ? -4.651 -3.678 0.843 1.00 89.64 5 A 1 ATOM 40 N N . LEU A 1 6 ? -3.686 0.972 -0.865 1.00 97.79 6 A 1 ATOM 41 C CA . LEU A 1 6 ? -2.555 1.343 -1.710 1.00 97.72 6 A 1 ATOM 42 C C . LEU A 1 6 ? -1.789 2.509 -1.102 1.00 97.95 6 A 1 ATOM 43 O O . LEU A 1 6 ? -0.559 2.545 -1.122 1.00 97.88 6 A 1 ATOM 44 C CB . LEU A 1 6 ? -3.042 1.711 -3.116 1.00 97.52 6 A 1 ATOM 45 C CG . LEU A 1 6 ? -2.865 0.618 -4.160 1.00 91.42 6 A 1 ATOM 46 C CD1 . LEU A 1 6 ? -1.395 0.354 -4.408 1.00 89.08 6 A 1 ATOM 47 C CD2 . LEU A 1 6 ? -3.567 -0.653 -3.723 1.00 89.39 6 A 1 ATOM 48 N N . VAL A 1 7 ? -2.528 3.460 -0.568 1.00 98.22 7 A 1 ATOM 49 C CA . VAL A 1 7 ? -1.920 4.637 0.054 1.00 98.26 7 A 1 ATOM 50 C C . VAL A 1 7 ? -1.104 4.233 1.277 1.00 98.31 7 A 1 ATOM 51 O O . VAL A 1 7 ? 0.004 4.732 1.495 1.00 98.13 7 A 1 ATOM 52 C CB . VAL A 1 7 ? -2.996 5.656 0.468 1.00 98.07 7 A 1 ATOM 53 C CG1 . VAL A 1 7 ? -2.368 6.864 1.143 1.00 96.76 7 A 1 ATOM 54 C CG2 . VAL A 1 7 ? -3.799 6.097 -0.748 1.00 96.58 7 A 1 ATOM 55 N N . LEU A 1 8 ? -1.665 3.334 2.047 1.00 98.20 8 A 1 ATOM 56 C CA . LEU A 1 8 ? -0.988 2.857 3.250 1.00 98.03 8 A 1 ATOM 57 C C . LEU A 1 8 ? 0.264 2.067 2.897 1.00 98.16 8 A 1 ATOM 58 O O . LEU A 1 8 ? 1.307 2.223 3.532 1.00 98.14 8 A 1 ATOM 59 C CB . LEU A 1 8 ? -1.939 1.983 4.061 1.00 98.00 8 A 1 ATOM 60 C CG . LEU A 1 8 ? -1.513 1.796 5.512 1.00 93.96 8 A 1 ATOM 61 C CD1 . LEU A 1 8 ? -1.676 3.095 6.291 1.00 92.62 8 A 1 ATOM 62 C CD2 . LEU A 1 8 ? -2.321 0.688 6.164 1.00 93.80 8 A 1 ATOM 63 N N . LEU A 1 9 ? 0.151 1.227 1.897 1.00 98.18 9 A 1 ATOM 64 C CA . LEU A 1 9 ? 1.279 0.415 1.449 1.00 97.97 9 A 1 ATOM 65 C C . LEU A 1 9 ? 2.367 1.285 0.834 1.00 98.10 9 A 1 ATOM 66 O O . LEU A 1 9 ? 3.557 1.026 1.005 1.00 97.96 9 A 1 ATOM 67 C CB . LEU A 1 9 ? 0.793 -0.613 0.429 1.00 97.78 9 A 1 ATOM 68 C CG . LEU A 1 9 ? 1.834 -1.661 0.053 1.00 93.97 9 A 1 ATOM 69 C CD1 . LEU A 1 9 ? 2.115 -2.586 1.230 1.00 91.53 9 A 1 ATOM 70 C CD2 . LEU A 1 9 ? 1.369 -2.470 -1.143 1.00 92.47 9 A 1 ATOM 71 N N . CYS A 1 10 ? 1.955 2.308 0.131 1.00 98.06 10 A 1 ATOM 72 C CA . CYS A 1 10 ? 2.886 3.222 -0.522 1.00 97.99 10 A 1 ATOM 73 C C . CYS A 1 10 ? 3.751 3.942 0.506 1.00 98.10 10 A 1 ATOM 74 O O . CYS A 1 10 ? 4.970 3.999 0.375 1.00 97.58 10 A 1 ATOM 75 C CB . CYS A 1 10 ? 2.123 4.245 -1.367 1.00 97.69 10 A 1 ATOM 76 S SG . CYS A 1 10 ? 3.222 5.342 -2.271 1.00 95.10 10 A 1 ATOM 77 N N . THR A 1 11 ? 3.117 4.480 1.518 1.00 98.19 11 A 1 ATOM 78 C CA . THR A 1 11 ? 3.839 5.207 2.556 1.00 98.13 11 A 1 ATOM 79 C C . THR A 1 11 ? 4.689 4.257 3.395 1.00 98.18 11 A 1 ATOM 80 O O . THR A 1 11 ? 5.781 4.617 3.836 1.00 97.71 11 A 1 ATOM 81 C CB . THR A 1 11 ? 2.868 5.983 3.458 1.00 97.82 11 A 1 ATOM 82 O OG1 . THR A 1 11 ? 3.615 6.733 4.420 1.00 95.64 11 A 1 ATOM 83 C CG2 . THR A 1 11 ? 1.922 5.060 4.190 1.00 94.69 11 A 1 ATOM 84 N N . PHE A 1 12 ? 4.189 3.045 3.588 1.00 98.33 12 A 1 ATOM 85 C CA . PHE A 1 12 ? 4.912 2.034 4.343 1.00 98.23 12 A 1 ATOM 86 C C . PHE A 1 12 ? 6.209 1.660 3.641 1.00 98.36 12 A 1 ATOM 87 O O . PHE A 1 12 ? 7.271 1.616 4.259 1.00 98.07 12 A 1 ATOM 88 C CB . PHE A 1 12 ? 4.043 0.791 4.516 1.00 98.10 12 A 1 ATOM 89 C CG . PHE A 1 12 ? 4.741 -0.322 5.249 1.00 97.32 12 A 1 ATOM 90 C CD1 . PHE A 1 12 ? 4.833 -0.310 6.630 1.00 95.07 12 A 1 ATOM 91 C CD2 . PHE A 1 12 ? 5.308 -1.375 4.550 1.00 95.62 12 A 1 ATOM 92 C CE1 . PHE A 1 12 ? 5.476 -1.332 7.305 1.00 94.78 12 A 1 ATOM 93 C CE2 . PHE A 1 12 ? 5.961 -2.404 5.222 1.00 94.95 12 A 1 ATOM 94 C CZ . PHE A 1 12 ? 6.040 -2.378 6.601 1.00 95.15 12 A 1 ATOM 95 N N . THR A 1 13 ? 6.116 1.392 2.377 1.00 98.47 13 A 1 ATOM 96 C CA . THR A 1 13 ? 7.287 1.023 1.588 1.00 98.35 13 A 1 ATOM 97 C C . THR A 1 13 ? 8.240 2.206 1.449 1.00 98.36 13 A 1 ATOM 98 O O . THR A 1 13 ? 9.458 2.038 1.402 1.00 97.82 13 A 1 ATOM 99 C CB . THR A 1 13 ? 6.870 0.545 0.198 1.00 97.93 13 A 1 ATOM 100 O OG1 . THR A 1 13 ? 5.885 -0.473 0.324 1.00 94.43 13 A 1 ATOM 101 C CG2 . THR A 1 13 ? 8.064 -0.016 -0.553 1.00 93.85 13 A 1 ATOM 102 N N . ALA A 1 14 ? 7.680 3.392 1.376 1.00 98.68 14 A 1 ATOM 103 C CA . ALA A 1 14 ? 8.474 4.606 1.228 1.00 98.57 14 A 1 ATOM 104 C C . ALA A 1 14 ? 9.302 4.886 2.476 1.00 98.60 14 A 1 ATOM 105 O O . ALA A 1 14 ? 10.452 5.302 2.379 1.00 98.06 14 A 1 ATOM 106 C CB . ALA A 1 14 ? 7.568 5.789 0.931 1.00 98.20 14 A 1 ATOM 107 N N . THR A 1 15 ? 8.721 4.662 3.637 1.00 98.39 15 A 1 ATOM 108 C CA . THR A 1 15 ? 9.413 4.915 4.894 1.00 98.23 15 A 1 ATOM 109 C C . THR A 1 15 ? 10.482 3.867 5.170 1.00 98.21 15 A 1 ATOM 110 O O . THR A 1 15 ? 11.559 4.191 5.669 1.00 97.61 15 A 1 ATOM 111 C CB . THR A 1 15 ? 8.424 4.972 6.064 1.00 97.85 15 A 1 ATOM 112 O OG1 . THR A 1 15 ? 9.129 5.386 7.242 1.00 95.10 15 A 1 ATOM 113 C CG2 . THR A 1 15 ? 7.778 3.640 6.327 1.00 93.96 15 A 1 ATOM 114 N N . TYR A 1 16 ? 10.176 2.621 4.828 1.00 98.03 16 A 1 ATOM 115 C CA . TYR A 1 16 ? 11.120 1.529 5.048 1.00 97.67 16 A 1 ATOM 116 C C . TYR A 1 16 ? 12.112 1.430 3.900 1.00 97.55 16 A 1 ATOM 117 O O . TYR A 1 16 ? 13.323 1.343 4.119 1.00 96.43 16 A 1 ATOM 118 C CB . TYR A 1 16 ? 10.363 0.209 5.205 1.00 97.01 16 A 1 ATOM 119 C CG . TYR A 1 16 ? 9.743 0.066 6.577 1.00 94.60 16 A 1 ATOM 120 C CD1 . TYR A 1 16 ? 8.563 0.708 6.898 1.00 93.31 16 A 1 ATOM 121 C CD2 . TYR A 1 16 ? 10.357 -0.714 7.547 1.00 92.93 16 A 1 ATOM 122 C CE1 . TYR A 1 16 ? 8.002 0.586 8.158 1.00 92.72 16 A 1 ATOM 123 C CE2 . TYR A 1 16 ? 9.798 -0.847 8.813 1.00 92.75 16 A 1 ATOM 124 C CZ . TYR A 1 16 ? 8.621 -0.194 9.108 1.00 93.25 16 A 1 ATOM 125 O OH . TYR A 1 16 ? 8.065 -0.316 10.354 1.00 91.97 16 A 1 ATOM 126 N N . ALA A 1 17 ? 11.579 1.455 2.689 1.00 96.87 17 A 1 ATOM 127 C CA . ALA A 1 17 ? 12.387 1.388 1.468 1.00 95.72 17 A 1 ATOM 128 C C . ALA A 1 17 ? 13.411 0.255 1.534 1.00 94.10 17 A 1 ATOM 129 O O . ALA A 1 17 ? 14.586 0.460 1.194 1.00 90.89 17 A 1 ATOM 130 C CB . ALA A 1 17 ? 13.103 2.712 1.249 1.00 93.57 17 A 1 ATOM 131 O OXT . ALA A 1 17 ? 13.051 -0.870 1.909 1.00 84.33 17 A 1 #