# 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_spkb24191 # _entry.id spkb24191 # 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" "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" "C5 H11 N O2 S" 149.211 MET y METHIONINE CSCC[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" "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 MET 2 1 n ARG 3 1 n GLY 4 1 n LEU 5 1 n LEU 6 1 n LEU 7 1 n ALA 8 1 n GLY 9 1 n ALA 10 1 n LEU 11 1 n GLY 12 1 n LEU 13 1 n PRO 14 1 n LEU 15 1 n ALA 16 1 n VAL 17 1 n LEU 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 @ 2025-07-02 16:59:51)" _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 86.68 _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 78.84 1 1 A MET 2 2 82.75 1 2 A ARG 3 2 81.79 1 3 A GLY 4 2 89.47 1 4 A LEU 5 2 86.51 1 5 A LEU 6 2 86.80 1 6 A LEU 7 2 87.78 1 7 A ALA 8 2 89.92 1 8 A GLY 9 2 90.70 1 9 A ALA 10 2 91.51 1 10 A LEU 11 2 87.36 1 11 A GLY 12 2 92.33 1 12 A LEU 13 2 86.92 1 13 A PRO 14 2 92.69 1 14 A LEU 15 2 88.08 1 15 A ALA 16 2 91.45 1 16 A VAL 17 2 90.44 1 17 A LEU 18 2 85.21 1 18 A ALA 19 2 78.41 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 MET . 2 A 2 A 3 1 n ARG . 3 A 3 A 4 1 n GLY . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n ALA . 8 A 8 A 9 1 n GLY . 9 A 9 A 10 1 n ALA . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n GLY . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n PRO . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n ALA . 16 A 16 A 17 1 n VAL . 17 A 17 A 18 1 n LEU . 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 ? -3.110 11.569 2.220 1.00 84.93 1 A 1 ATOM 2 C CA . MET A 1 1 ? -2.395 11.869 0.957 1.00 85.48 1 A 1 ATOM 3 C C . MET A 1 1 ? -1.394 10.763 0.640 1.00 86.52 1 A 1 ATOM 4 O O . MET A 1 1 ? -1.625 9.928 -0.230 1.00 83.11 1 A 1 ATOM 5 C CB . MET A 1 1 ? -1.672 13.214 1.060 1.00 79.88 1 A 1 ATOM 6 C CG . MET A 1 1 ? -2.639 14.401 1.025 1.00 74.96 1 A 1 ATOM 7 S SD . MET A 1 1 ? -4.014 14.250 2.162 1.00 72.39 1 A 1 ATOM 8 C CE . MET A 1 1 ? -4.841 15.792 1.880 1.00 63.46 1 A 1 ATOM 9 N N . MET A 1 2 ? -0.264 10.766 1.359 1.00 87.69 2 A 1 ATOM 10 C CA . MET A 1 2 ? 0.776 9.765 1.143 1.00 87.89 2 A 1 ATOM 11 C C . MET A 1 2 ? 0.333 8.397 1.636 1.00 89.41 2 A 1 ATOM 12 O O . MET A 1 2 ? 0.911 7.374 1.270 1.00 86.61 2 A 1 ATOM 13 C CB . MET A 1 2 ? 2.066 10.180 1.856 1.00 84.55 2 A 1 ATOM 14 C CG . MET A 1 2 ? 1.903 10.314 3.362 1.00 81.54 2 A 1 ATOM 15 S SD . MET A 1 2 ? 3.424 10.851 4.172 1.00 76.80 2 A 1 ATOM 16 C CE . MET A 1 2 ? 2.873 10.918 5.870 1.00 67.53 2 A 1 ATOM 17 N N . ARG A 1 3 ? -0.707 8.398 2.463 1.00 87.78 3 A 1 ATOM 18 C CA . ARG A 1 3 ? -1.234 7.155 3.011 1.00 89.73 3 A 1 ATOM 19 C C . ARG A 1 3 ? -2.016 6.376 1.960 1.00 91.34 3 A 1 ATOM 20 O O . ARG A 1 3 ? -2.646 5.364 2.267 1.00 89.07 3 A 1 ATOM 21 C CB . ARG A 1 3 ? -2.108 7.439 4.229 1.00 86.84 3 A 1 ATOM 22 C CG . ARG A 1 3 ? -1.304 7.960 5.412 1.00 83.23 3 A 1 ATOM 23 C CD . ARG A 1 3 ? -2.185 8.205 6.616 1.00 81.75 3 A 1 ATOM 24 N NE . ARG A 1 3 ? -1.390 8.638 7.768 1.00 76.92 3 A 1 ATOM 25 C CZ . ARG A 1 3 ? -0.949 9.879 7.936 1.00 75.55 3 A 1 ATOM 26 N NH1 . ARG A 1 3 ? -1.219 10.808 7.042 1.00 68.46 3 A 1 ATOM 27 N NH2 . ARG A 1 3 ? -0.228 10.185 9.003 1.00 69.03 3 A 1 ATOM 28 N N . GLY A 1 4 ? -1.950 6.855 0.719 1.00 88.28 4 A 1 ATOM 29 C CA . GLY A 1 4 ? -2.610 6.165 -0.380 1.00 88.74 4 A 1 ATOM 30 C C . GLY A 1 4 ? -2.073 4.761 -0.548 1.00 90.98 4 A 1 ATOM 31 O O . GLY A 1 4 ? -2.759 3.880 -1.065 1.00 89.89 4 A 1 ATOM 32 N N . LEU A 1 5 ? -0.827 4.547 -0.093 1.00 88.29 5 A 1 ATOM 33 C CA . LEU A 1 5 ? -0.213 3.227 -0.157 1.00 88.55 5 A 1 ATOM 34 C C . LEU A 1 5 ? -0.986 2.244 0.710 1.00 90.42 5 A 1 ATOM 35 O O . LEU A 1 5 ? -1.117 1.067 0.373 1.00 88.45 5 A 1 ATOM 36 C CB . LEU A 1 5 ? 1.244 3.297 0.309 1.00 87.25 5 A 1 ATOM 37 C CG . LEU A 1 5 ? 2.144 4.166 -0.571 1.00 85.43 5 A 1 ATOM 38 C CD1 . LEU A 1 5 ? 3.556 4.206 -0.006 1.00 82.63 5 A 1 ATOM 39 C CD2 . LEU A 1 5 ? 2.155 3.638 -1.997 1.00 81.08 5 A 1 ATOM 40 N N . LEU A 1 6 ? -1.510 2.746 1.824 1.00 88.32 6 A 1 ATOM 41 C CA . LEU A 1 6 ? -2.306 1.921 2.720 1.00 88.00 6 A 1 ATOM 42 C C . LEU A 1 6 ? -3.604 1.530 2.032 1.00 89.77 6 A 1 ATOM 43 O O . LEU A 1 6 ? -4.097 0.415 2.194 1.00 88.58 6 A 1 ATOM 44 C CB . LEU A 1 6 ? -2.603 2.675 4.016 1.00 87.41 6 A 1 ATOM 45 C CG . LEU A 1 6 ? -1.360 3.030 4.831 1.00 86.66 6 A 1 ATOM 46 C CD1 . LEU A 1 6 ? -1.744 3.805 6.078 1.00 83.66 6 A 1 ATOM 47 C CD2 . LEU A 1 6 ? -0.591 1.773 5.201 1.00 82.01 6 A 1 ATOM 48 N N . LEU A 1 7 ? -4.137 2.456 1.254 1.00 91.14 7 A 1 ATOM 49 C CA . LEU A 1 7 ? -5.357 2.196 0.506 1.00 90.11 7 A 1 ATOM 50 C C . LEU A 1 7 ? -5.091 1.145 -0.557 1.00 91.75 7 A 1 ATOM 51 O O . LEU A 1 7 ? -5.935 0.292 -0.830 1.00 90.92 7 A 1 ATOM 52 C CB . LEU A 1 7 ? -5.865 3.482 -0.143 1.00 88.80 7 A 1 ATOM 53 C CG . LEU A 1 7 ? -6.264 4.568 0.855 1.00 84.91 7 A 1 ATOM 54 C CD1 . LEU A 1 7 ? -6.703 5.827 0.118 1.00 82.65 7 A 1 ATOM 55 C CD2 . LEU A 1 7 ? -7.361 4.071 1.774 1.00 81.99 7 A 1 ATOM 56 N N . ALA A 1 8 ? -3.903 1.214 -1.154 1.00 90.14 8 A 1 ATOM 57 C CA . ALA A 1 8 ? -3.505 0.233 -2.155 1.00 90.06 8 A 1 ATOM 58 C C . ALA A 1 8 ? -3.443 -1.151 -1.524 1.00 91.49 8 A 1 ATOM 59 O O . ALA A 1 8 ? -3.815 -2.147 -2.143 1.00 89.39 8 A 1 ATOM 60 C CB . ALA A 1 8 ? -2.153 0.605 -2.747 1.00 88.51 8 A 1 ATOM 61 N N . GLY A 1 9 ? -2.967 -1.194 -0.275 1.00 90.29 9 A 1 ATOM 62 C CA . GLY A 1 9 ? -2.908 -2.454 0.449 1.00 89.45 9 A 1 ATOM 63 C C . GLY A 1 9 ? -4.298 -2.976 0.732 1.00 91.83 9 A 1 ATOM 64 O O . GLY A 1 9 ? -4.530 -4.189 0.741 1.00 91.24 9 A 1 ATOM 65 N N . ALA A 1 10 ? -5.231 -2.048 0.955 1.00 91.50 10 A 1 ATOM 66 C CA . ALA A 1 10 ? -6.614 -2.417 1.212 1.00 91.73 10 A 1 ATOM 67 C C . ALA A 1 10 ? -7.235 -3.054 -0.024 1.00 93.36 10 A 1 ATOM 68 O O . ALA A 1 10 ? -8.145 -3.875 0.078 1.00 91.03 10 A 1 ATOM 69 C CB . ALA A 1 10 ? -7.419 -1.188 1.636 1.00 89.93 10 A 1 ATOM 70 N N . LEU A 1 11 ? -6.727 -2.675 -1.194 1.00 90.33 11 A 1 ATOM 71 C CA . LEU A 1 11 ? -7.210 -3.222 -2.456 1.00 90.20 11 A 1 ATOM 72 C C . LEU A 1 11 ? -6.716 -4.646 -2.645 1.00 91.53 11 A 1 ATOM 73 O O . LEU A 1 11 ? -7.183 -5.365 -3.532 1.00 88.68 11 A 1 ATOM 74 C CB . LEU A 1 11 ? -6.747 -2.349 -3.626 1.00 88.63 11 A 1 ATOM 75 C CG . LEU A 1 11 ? -7.310 -0.930 -3.611 1.00 86.02 11 A 1 ATOM 76 C CD1 . LEU A 1 11 ? -6.736 -0.118 -4.763 1.00 82.56 11 A 1 ATOM 77 C CD2 . LEU A 1 11 ? -8.825 -0.966 -3.679 1.00 80.91 11 A 1 ATOM 78 N N . GLY A 1 12 ? -5.774 -5.060 -1.796 1.00 91.68 12 A 1 ATOM 79 C CA . GLY A 1 12 ? -5.229 -6.406 -1.878 1.00 91.62 12 A 1 ATOM 80 C C . GLY A 1 12 ? -3.914 -6.447 -2.617 1.00 93.54 12 A 1 ATOM 81 O O . GLY A 1 12 ? -3.431 -7.519 -2.983 1.00 92.49 12 A 1 ATOM 82 N N . LEU A 1 13 ? -3.335 -5.278 -2.839 1.00 89.46 13 A 1 ATOM 83 C CA . LEU A 1 13 ? -2.062 -5.187 -3.537 1.00 89.71 13 A 1 ATOM 84 C C . LEU A 1 13 ? -0.912 -5.362 -2.557 1.00 91.60 13 A 1 ATOM 85 O O . LEU A 1 13 ? -0.743 -4.549 -1.646 1.00 90.09 13 A 1 ATOM 86 C CB . LEU A 1 13 ? -1.943 -3.841 -4.253 1.00 88.48 13 A 1 ATOM 87 C CG . LEU A 1 13 ? -2.987 -3.605 -5.345 1.00 84.23 13 A 1 ATOM 88 C CD1 . LEU A 1 13 ? -2.841 -2.211 -5.930 1.00 81.82 13 A 1 ATOM 89 C CD2 . LEU A 1 13 ? -2.861 -4.659 -6.429 1.00 79.99 13 A 1 ATOM 90 N N . PRO A 1 14 ? -0.121 -6.425 -2.721 1.00 93.47 14 A 1 ATOM 91 C CA . PRO A 1 14 ? 1.029 -6.676 -1.851 1.00 93.31 14 A 1 ATOM 92 C C . PRO A 1 14 ? 1.987 -5.494 -1.868 1.00 94.44 14 A 1 ATOM 93 O O . PRO A 1 14 ? 2.386 -5.028 -2.933 1.00 92.69 14 A 1 ATOM 94 C CB . PRO A 1 14 ? 1.686 -7.920 -2.459 1.00 91.40 14 A 1 ATOM 95 C CG . PRO A 1 14 ? 0.579 -8.597 -3.216 1.00 90.17 14 A 1 ATOM 96 C CD . PRO A 1 14 ? -0.297 -7.472 -3.724 1.00 93.33 14 A 1 ATOM 97 N N . LEU A 1 15 ? 2.355 -5.017 -0.685 1.00 91.06 15 A 1 ATOM 98 C CA . LEU A 1 15 ? 3.262 -3.885 -0.570 1.00 90.56 15 A 1 ATOM 99 C C . LEU A 1 15 ? 4.609 -4.203 -1.200 1.00 92.08 15 A 1 ATOM 100 O O . LEU A 1 15 ? 5.302 -3.317 -1.696 1.00 90.57 15 A 1 ATOM 101 C CB . LEU A 1 15 ? 3.443 -3.511 0.900 1.00 88.90 15 A 1 ATOM 102 C CG . LEU A 1 15 ? 2.153 -3.072 1.591 1.00 85.66 15 A 1 ATOM 103 C CD1 . LEU A 1 15 ? 2.424 -2.748 3.050 1.00 83.51 15 A 1 ATOM 104 C CD2 . LEU A 1 15 ? 1.545 -1.884 0.866 1.00 82.32 15 A 1 ATOM 105 N N . ALA A 1 16 ? 4.973 -5.486 -1.184 1.00 90.76 16 A 1 ATOM 106 C CA . ALA A 1 16 ? 6.231 -5.928 -1.774 1.00 91.55 16 A 1 ATOM 107 C C . ALA A 1 16 ? 6.246 -5.677 -3.276 1.00 92.88 16 A 1 ATOM 108 O O . ALA A 1 16 ? 7.290 -5.404 -3.862 1.00 90.85 16 A 1 ATOM 109 C CB . ALA A 1 16 ? 6.448 -7.406 -1.489 1.00 91.20 16 A 1 ATOM 110 N N . VAL A 1 17 ? 5.077 -5.774 -3.896 1.00 92.53 17 A 1 ATOM 111 C CA . VAL A 1 17 ? 4.961 -5.535 -5.328 1.00 91.95 17 A 1 ATOM 112 C C . VAL A 1 17 ? 5.111 -4.053 -5.633 1.00 92.52 17 A 1 ATOM 113 O O . VAL A 1 17 ? 5.700 -3.665 -6.643 1.00 90.93 17 A 1 ATOM 114 C CB . VAL A 1 17 ? 3.611 -6.039 -5.867 1.00 90.88 17 A 1 ATOM 115 C CG1 . VAL A 1 17 ? 3.461 -5.707 -7.348 1.00 87.18 17 A 1 ATOM 116 C CG2 . VAL A 1 17 ? 3.484 -7.532 -5.642 1.00 87.10 17 A 1 ATOM 117 N N . LEU A 1 18 ? 4.577 -3.225 -4.742 1.00 87.98 18 A 1 ATOM 118 C CA . LEU A 1 18 ? 4.659 -1.781 -4.909 1.00 88.03 18 A 1 ATOM 119 C C . LEU A 1 18 ? 6.082 -1.296 -4.702 1.00 89.31 18 A 1 ATOM 120 O O . LEU A 1 18 ? 6.476 -0.252 -5.227 1.00 87.44 18 A 1 ATOM 121 C CB . LEU A 1 18 ? 3.716 -1.087 -3.924 1.00 86.15 18 A 1 ATOM 122 C CG . LEU A 1 18 ? 2.237 -1.419 -4.122 1.00 83.47 18 A 1 ATOM 123 C CD1 . LEU A 1 18 ? 1.395 -0.745 -3.051 1.00 81.12 18 A 1 ATOM 124 C CD2 . LEU A 1 18 ? 1.785 -0.994 -5.509 1.00 78.21 18 A 1 ATOM 125 N N . ALA A 1 19 ? 6.844 -2.065 -3.929 1.00 83.85 19 A 1 ATOM 126 C CA . ALA A 1 19 ? 8.223 -1.711 -3.634 1.00 81.80 19 A 1 ATOM 127 C C . ALA A 1 19 ? 9.155 -2.130 -4.767 1.00 78.93 19 A 1 ATOM 128 O O . ALA A 1 19 ? 8.915 -3.171 -5.395 1.00 77.32 19 A 1 ATOM 129 C CB . ALA A 1 19 ? 8.664 -2.340 -2.319 1.00 76.33 19 A 1 ATOM 130 O OXT . ALA A 1 19 ? 10.132 -1.426 -5.028 1.00 72.25 19 A 1 #