# 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_spkb24661 # _entry.id spkb24661 # 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" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "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" "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 PHE 3 1 n PHE 4 1 n THR 5 1 n ALA 6 1 n LEU 7 1 n ALA 8 1 n ALA 9 1 n VAL 10 1 n GLY 11 1 n ALA 12 1 n LEU 13 1 n LEU 14 1 n ALA 15 1 n PRO 16 1 n ALA 17 1 n VAL 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 01:31:11)" _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 94.45 _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 89.06 1 1 A LYS 2 2 91.92 1 2 A PHE 3 2 92.27 1 3 A PHE 4 2 93.94 1 4 A THR 5 2 95.02 1 5 A ALA 6 2 97.72 1 6 A LEU 7 2 94.41 1 7 A ALA 8 2 97.65 1 8 A ALA 9 2 97.71 1 9 A VAL 10 2 97.04 1 10 A GLY 11 2 97.42 1 11 A ALA 12 2 97.71 1 12 A LEU 13 2 95.81 1 13 A LEU 14 2 94.83 1 14 A ALA 15 2 96.87 1 15 A PRO 16 2 96.33 1 16 A ALA 17 2 95.75 1 17 A VAL 18 2 92.81 1 18 A ALA 19 2 88.23 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 PHE . 3 A 3 A 4 1 n PHE . 4 A 4 A 5 1 n THR . 5 A 5 A 6 1 n ALA . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n ALA . 8 A 8 A 9 1 n ALA . 9 A 9 A 10 1 n VAL . 10 A 10 A 11 1 n GLY . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n ALA . 15 A 15 A 16 1 n PRO . 16 A 16 A 17 1 n ALA . 17 A 17 A 18 1 n VAL . 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 ? 11.703 -1.818 -5.757 1.00 93.17 1 A 1 ATOM 2 C CA . MET A 1 1 ? 10.731 -2.570 -4.953 1.00 94.36 1 A 1 ATOM 3 C C . MET A 1 1 ? 10.074 -1.689 -3.900 1.00 95.03 1 A 1 ATOM 4 O O . MET A 1 1 ? 8.949 -1.938 -3.475 1.00 93.05 1 A 1 ATOM 5 C CB . MET A 1 1 ? 11.415 -3.753 -4.261 1.00 90.84 1 A 1 ATOM 6 C CG . MET A 1 1 ? 11.901 -4.797 -5.251 1.00 87.83 1 A 1 ATOM 7 S SD . MET A 1 1 ? 10.571 -5.532 -6.203 1.00 84.21 1 A 1 ATOM 8 C CE . MET A 1 1 ? 9.720 -6.439 -4.917 1.00 74.02 1 A 1 ATOM 9 N N . LYS A 1 2 ? 10.786 -0.658 -3.497 1.00 95.85 2 A 1 ATOM 10 C CA . LYS A 1 2 ? 10.260 0.261 -2.494 1.00 96.65 2 A 1 ATOM 11 C C . LYS A 1 2 ? 9.011 0.968 -3.005 1.00 97.18 2 A 1 ATOM 12 O O . LYS A 1 2 ? 8.116 1.315 -2.232 1.00 96.82 2 A 1 ATOM 13 C CB . LYS A 1 2 ? 11.323 1.284 -2.096 1.00 95.72 2 A 1 ATOM 14 C CG . LYS A 1 2 ? 10.898 2.155 -0.923 1.00 92.39 2 A 1 ATOM 15 C CD . LYS A 1 2 ? 12.041 3.047 -0.466 1.00 89.30 2 A 1 ATOM 16 C CE . LYS A 1 2 ? 11.628 3.876 0.745 1.00 84.59 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? 12.756 4.722 1.232 1.00 78.79 2 A 1 ATOM 18 N N . PHE A 1 3 ? 8.945 1.160 -4.323 1.00 94.90 3 A 1 ATOM 19 C CA . PHE A 1 3 ? 7.787 1.788 -4.941 1.00 95.92 3 A 1 ATOM 20 C C . PHE A 1 3 ? 6.553 0.915 -4.749 1.00 97.15 3 A 1 ATOM 21 O O . PHE A 1 3 ? 5.454 1.408 -4.486 1.00 96.69 3 A 1 ATOM 22 C CB . PHE A 1 3 ? 8.032 2.011 -6.431 1.00 95.09 3 A 1 ATOM 23 C CG . PHE A 1 3 ? 9.215 2.901 -6.704 1.00 92.25 3 A 1 ATOM 24 C CD1 . PHE A 1 3 ? 9.093 4.275 -6.579 1.00 89.55 3 A 1 ATOM 25 C CD2 . PHE A 1 3 ? 10.434 2.360 -7.077 1.00 89.68 3 A 1 ATOM 26 C CE1 . PHE A 1 3 ? 10.177 5.107 -6.823 1.00 88.67 3 A 1 ATOM 27 C CE2 . PHE A 1 3 ? 11.523 3.187 -7.319 1.00 87.98 3 A 1 ATOM 28 C CZ . PHE A 1 3 ? 11.394 4.560 -7.194 1.00 87.10 3 A 1 ATOM 29 N N . PHE A 1 4 ? 6.750 -0.389 -4.877 1.00 96.61 4 A 1 ATOM 30 C CA . PHE A 1 4 ? 5.666 -1.345 -4.700 1.00 96.96 4 A 1 ATOM 31 C C . PHE A 1 4 ? 5.212 -1.362 -3.249 1.00 97.45 4 A 1 ATOM 32 O O . PHE A 1 4 ? 4.021 -1.491 -2.958 1.00 96.98 4 A 1 ATOM 33 C CB . PHE A 1 4 ? 6.114 -2.743 -5.125 1.00 96.54 4 A 1 ATOM 34 C CG . PHE A 1 4 ? 6.415 -2.835 -6.599 1.00 94.36 4 A 1 ATOM 35 C CD1 . PHE A 1 4 ? 7.682 -2.563 -7.078 1.00 91.08 4 A 1 ATOM 36 C CD2 . PHE A 1 4 ? 5.415 -3.188 -7.496 1.00 91.89 4 A 1 ATOM 37 C CE1 . PHE A 1 4 ? 7.949 -2.638 -8.438 1.00 90.67 4 A 1 ATOM 38 C CE2 . PHE A 1 4 ? 5.683 -3.263 -8.854 1.00 90.64 4 A 1 ATOM 39 C CZ . PHE A 1 4 ? 6.951 -2.988 -9.326 1.00 90.18 4 A 1 ATOM 40 N N . THR A 1 5 ? 6.173 -1.210 -2.347 1.00 96.92 5 A 1 ATOM 41 C CA . THR A 1 5 ? 5.879 -1.176 -0.920 1.00 96.73 5 A 1 ATOM 42 C C . THR A 1 5 ? 5.030 0.048 -0.593 1.00 97.03 5 A 1 ATOM 43 O O . THR A 1 5 ? 4.067 -0.033 0.171 1.00 96.85 5 A 1 ATOM 44 C CB . THR A 1 5 ? 7.167 -1.131 -0.093 1.00 96.21 5 A 1 ATOM 45 O OG1 . THR A 1 5 ? 7.993 -2.244 -0.433 1.00 91.80 5 A 1 ATOM 46 C CG2 . THR A 1 5 ? 6.850 -1.175 1.393 1.00 89.62 5 A 1 ATOM 47 N N . ALA A 1 6 ? 5.384 1.174 -1.189 1.00 97.79 6 A 1 ATOM 48 C CA . ALA A 1 6 ? 4.644 2.410 -0.987 1.00 97.75 6 A 1 ATOM 49 C C . ALA A 1 6 ? 3.227 2.276 -1.530 1.00 98.00 6 A 1 ATOM 50 O O . ALA A 1 6 ? 2.265 2.734 -0.913 1.00 97.56 6 A 1 ATOM 51 C CB . ALA A 1 6 ? 5.360 3.568 -1.672 1.00 97.49 6 A 1 ATOM 52 N N . LEU A 1 7 ? 3.104 1.632 -2.682 1.00 97.24 7 A 1 ATOM 53 C CA . LEU A 1 7 ? 1.804 1.405 -3.302 1.00 97.04 7 A 1 ATOM 54 C C . LEU A 1 7 ? 0.942 0.534 -2.402 1.00 97.46 7 A 1 ATOM 55 O O . LEU A 1 7 ? -0.256 0.774 -2.247 1.00 97.50 7 A 1 ATOM 56 C CB . LEU A 1 7 ? 1.984 0.725 -4.659 1.00 96.53 7 A 1 ATOM 57 C CG . LEU A 1 7 ? 0.678 0.481 -5.411 1.00 90.59 7 A 1 ATOM 58 C CD1 . LEU A 1 7 ? -0.010 1.794 -5.734 1.00 89.31 7 A 1 ATOM 59 C CD2 . LEU A 1 7 ? 0.944 -0.313 -6.681 1.00 89.59 7 A 1 ATOM 60 N N . ALA A 1 8 ? 1.557 -0.476 -1.813 1.00 97.75 8 A 1 ATOM 61 C CA . ALA A 1 8 ? 0.860 -1.381 -0.915 1.00 97.70 8 A 1 ATOM 62 C C . ALA A 1 8 ? 0.385 -0.643 0.328 1.00 97.98 8 A 1 ATOM 63 O O . ALA A 1 8 ? -0.699 -0.921 0.845 1.00 97.62 8 A 1 ATOM 64 C CB . ALA A 1 8 ? 1.776 -2.533 -0.515 1.00 97.22 8 A 1 ATOM 65 N N . ALA A 1 9 ? 1.191 0.300 0.796 1.00 97.83 9 A 1 ATOM 66 C CA . ALA A 1 9 ? 0.846 1.092 1.966 1.00 97.73 9 A 1 ATOM 67 C C . ALA A 1 9 ? -0.400 1.923 1.695 1.00 98.08 9 A 1 ATOM 68 O O . ALA A 1 9 ? -1.299 2.003 2.534 1.00 97.66 9 A 1 ATOM 69 C CB . ALA A 1 9 ? 2.008 1.999 2.353 1.00 97.27 9 A 1 ATOM 70 N N . VAL A 1 10 ? -0.461 2.522 0.512 1.00 97.85 10 A 1 ATOM 71 C CA . VAL A 1 10 ? -1.617 3.319 0.118 1.00 97.81 10 A 1 ATOM 72 C C . VAL A 1 10 ? -2.845 2.432 -0.002 1.00 98.05 10 A 1 ATOM 73 O O . VAL A 1 10 ? -3.932 2.782 0.461 1.00 97.81 10 A 1 ATOM 74 C CB . VAL A 1 10 ? -1.362 4.038 -1.212 1.00 97.23 10 A 1 ATOM 75 C CG1 . VAL A 1 10 ? -2.611 4.788 -1.659 1.00 95.14 10 A 1 ATOM 76 C CG2 . VAL A 1 10 ? -0.189 4.992 -1.076 1.00 95.37 10 A 1 ATOM 77 N N . GLY A 1 11 ? -2.664 1.279 -0.624 1.00 97.30 11 A 1 ATOM 78 C CA . GLY A 1 11 ? -3.759 0.333 -0.785 1.00 97.13 11 A 1 ATOM 79 C C . GLY A 1 11 ? -4.280 -0.149 0.550 1.00 97.63 11 A 1 ATOM 80 O O . GLY A 1 11 ? -5.483 -0.364 0.718 1.00 97.62 11 A 1 ATOM 81 N N . ALA A 1 12 ? -3.388 -0.313 1.510 1.00 97.95 12 A 1 ATOM 82 C CA . ALA A 1 12 ? -3.752 -0.750 2.851 1.00 97.81 12 A 1 ATOM 83 C C . ALA A 1 12 ? -4.649 0.276 3.532 1.00 98.15 12 A 1 ATOM 84 O O . ALA A 1 12 ? -5.494 -0.076 4.353 1.00 97.41 12 A 1 ATOM 85 C CB . ALA A 1 12 ? -2.502 -0.982 3.690 1.00 97.24 12 A 1 ATOM 86 N N . LEU A 1 13 ? -4.466 1.536 3.182 1.00 97.72 13 A 1 ATOM 87 C CA . LEU A 1 13 ? -5.273 2.610 3.744 1.00 97.58 13 A 1 ATOM 88 C C . LEU A 1 13 ? -6.623 2.690 3.042 1.00 97.91 13 A 1 ATOM 89 O O . LEU A 1 13 ? -7.639 3.019 3.657 1.00 97.45 13 A 1 ATOM 90 C CB . LEU A 1 13 ? -4.542 3.945 3.601 1.00 97.29 13 A 1 ATOM 91 C CG . LEU A 1 13 ? -3.231 4.037 4.383 1.00 94.42 13 A 1 ATOM 92 C CD1 . LEU A 1 13 ? -2.508 5.330 4.046 1.00 92.26 13 A 1 ATOM 93 C CD2 . LEU A 1 13 ? -3.489 3.941 5.878 1.00 91.88 13 A 1 ATOM 94 N N . LEU A 1 14 ? -6.620 2.384 1.756 1.00 97.49 14 A 1 ATOM 95 C CA . LEU A 1 14 ? -7.834 2.441 0.956 1.00 97.16 14 A 1 ATOM 96 C C . LEU A 1 14 ? -8.758 1.270 1.252 1.00 97.49 14 A 1 ATOM 97 O O . LEU A 1 14 ? -9.978 1.424 1.248 1.00 97.03 14 A 1 ATOM 98 C CB . LEU A 1 14 ? -7.479 2.450 -0.531 1.00 96.46 14 A 1 ATOM 99 C CG . LEU A 1 14 ? -6.717 3.692 -0.996 1.00 92.36 14 A 1 ATOM 100 C CD1 . LEU A 1 14 ? -6.262 3.524 -2.438 1.00 90.30 14 A 1 ATOM 101 C CD2 . LEU A 1 14 ? -7.575 4.936 -0.844 1.00 90.34 14 A 1 ATOM 102 N N . ALA A 1 15 ? -8.173 0.097 1.504 1.00 97.43 15 A 1 ATOM 103 C CA . ALA A 1 15 ? -8.958 -1.102 1.783 1.00 96.96 15 A 1 ATOM 104 C C . ALA A 1 15 ? -9.919 -0.906 2.957 1.00 97.18 15 A 1 ATOM 105 O O . ALA A 1 15 ? -11.126 -1.114 2.806 1.00 96.58 15 A 1 ATOM 106 C CB . ALA A 1 15 ? -8.039 -2.299 2.014 1.00 96.18 15 A 1 ATOM 107 N N . PRO A 1 16 ? -9.416 -0.495 4.125 1.00 97.39 16 A 1 ATOM 108 C CA . PRO A 1 16 ? -10.283 -0.271 5.287 1.00 97.02 16 A 1 ATOM 109 C C . PRO A 1 16 ? -11.233 0.895 5.072 1.00 97.22 16 A 1 ATOM 110 O O . PRO A 1 16 ? -12.357 0.881 5.574 1.00 95.96 16 A 1 ATOM 111 C CB . PRO A 1 16 ? -9.307 0.053 6.426 1.00 95.91 16 A 1 ATOM 112 C CG . PRO A 1 16 ? -8.001 -0.502 5.974 1.00 94.16 16 A 1 ATOM 113 C CD . PRO A 1 16 ? -8.012 -0.340 4.471 1.00 96.66 16 A 1 ATOM 114 N N . ALA A 1 17 ? -10.791 1.907 4.340 1.00 96.34 17 A 1 ATOM 115 C CA . ALA A 1 17 ? -11.602 3.091 4.082 1.00 95.84 17 A 1 ATOM 116 C C . ALA A 1 17 ? -12.779 2.773 3.168 1.00 96.44 17 A 1 ATOM 117 O O . ALA A 1 17 ? -13.895 3.251 3.384 1.00 95.23 17 A 1 ATOM 118 C CB . ALA A 1 17 ? -10.748 4.193 3.464 1.00 94.92 17 A 1 ATOM 119 N N . VAL A 1 18 ? -12.524 1.973 2.137 1.00 95.49 18 A 1 ATOM 120 C CA . VAL A 1 18 ? -13.562 1.602 1.177 1.00 94.86 18 A 1 ATOM 121 C C . VAL A 1 18 ? -14.404 0.440 1.677 1.00 95.23 18 A 1 ATOM 122 O O . VAL A 1 18 ? -15.633 0.439 1.538 1.00 93.93 18 A 1 ATOM 123 C CB . VAL A 1 18 ? -12.941 1.238 -0.179 1.00 93.12 18 A 1 ATOM 124 C CG1 . VAL A 1 18 ? -14.021 0.798 -1.160 1.00 88.27 18 A 1 ATOM 125 C CG2 . VAL A 1 18 ? -12.171 2.421 -0.735 1.00 88.80 18 A 1 ATOM 126 N N . ALA A 1 19 ? -13.729 -0.540 2.250 1.00 93.39 19 A 1 ATOM 127 C CA . ALA A 1 19 ? -14.408 -1.733 2.743 1.00 91.50 19 A 1 ATOM 128 C C . ALA A 1 19 ? -14.681 -1.624 4.240 1.00 89.66 19 A 1 ATOM 129 O O . ALA A 1 19 ? -15.068 -2.620 4.866 1.00 85.39 19 A 1 ATOM 130 C CB . ALA A 1 19 ? -13.580 -2.976 2.430 1.00 88.29 19 A 1 ATOM 131 O OXT . ALA A 1 19 ? -14.507 -0.531 4.807 1.00 81.17 19 A 1 #