# 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_spkb39429 # _entry.id spkb39429 # 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 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" "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" # _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 LEU 3 1 n LEU 4 1 n LEU 5 1 n LEU 6 1 n ALA 7 1 n LEU 8 1 n PHE 9 1 n LEU 10 1 n SER 11 1 n ILE 12 1 n SER 13 1 n ALA 14 1 n SER 15 1 n CYS 16 1 n LEU 17 1 n ALA 18 # _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 @ 2025-07-07 03:28:22)" _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 90.95 _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 85.39 1 1 A LYS 2 2 88.23 1 2 A LEU 3 2 91.35 1 3 A LEU 4 2 92.64 1 4 A LEU 5 2 91.93 1 5 A LEU 6 2 93.11 1 6 A ALA 7 2 96.95 1 7 A LEU 8 2 93.08 1 8 A PHE 9 2 92.37 1 9 A LEU 10 2 93.83 1 10 A SER 11 2 94.08 1 11 A ILE 12 2 91.69 1 12 A SER 13 2 93.43 1 13 A ALA 14 2 95.76 1 14 A SER 15 2 92.64 1 15 A CYS 16 2 91.59 1 16 A LEU 17 2 84.11 1 17 A ALA 18 2 77.36 1 18 # _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 LEU . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n ALA . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n PHE . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n SER . 11 A 11 A 12 1 n ILE . 12 A 12 A 13 1 n SER . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n SER . 15 A 15 A 16 1 n CYS . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n ALA . 18 A 18 # _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 ? -13.498 -3.259 2.487 1.00 91.92 1 A 1 ATOM 2 C CA . MET A 1 1 ? -12.532 -2.152 2.386 1.00 92.60 1 A 1 ATOM 3 C C . MET A 1 1 ? -11.298 -2.575 1.590 1.00 93.11 1 A 1 ATOM 4 O O . MET A 1 1 ? -10.165 -2.358 2.008 1.00 91.24 1 A 1 ATOM 5 C CB . MET A 1 1 ? -12.101 -1.692 3.778 1.00 87.65 1 A 1 ATOM 6 C CG . MET A 1 1 ? -13.267 -1.283 4.650 1.00 81.61 1 A 1 ATOM 7 S SD . MET A 1 1 ? -12.747 -0.834 6.309 1.00 77.70 1 A 1 ATOM 8 C CE . MET A 1 1 ? -14.329 -0.622 7.096 1.00 67.31 1 A 1 ATOM 9 N N . LYS A 1 2 ? -11.535 -3.191 0.449 1.00 94.93 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -10.444 -3.674 -0.394 1.00 94.99 2 A 1 ATOM 11 C C . LYS A 1 2 ? -9.681 -2.518 -1.028 1.00 95.17 2 A 1 ATOM 12 O O . LYS A 1 2 ? -8.456 -2.550 -1.118 1.00 94.71 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -11.000 -4.593 -1.481 1.00 93.99 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -11.610 -5.873 -0.939 1.00 87.24 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -10.552 -6.801 -0.371 1.00 83.86 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -11.153 -8.107 0.113 1.00 77.97 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -10.112 -9.030 0.621 1.00 71.20 2 A 1 ATOM 18 N N . LEU A 1 3 ? -10.409 -1.500 -1.466 1.00 94.07 3 A 1 ATOM 19 C CA . LEU A 1 3 ? -9.791 -0.335 -2.100 1.00 94.60 3 A 1 ATOM 20 C C . LEU A 1 3 ? -8.855 0.382 -1.136 1.00 95.37 3 A 1 ATOM 21 O O . LEU A 1 3 ? -7.799 0.878 -1.533 1.00 94.24 3 A 1 ATOM 22 C CB . LEU A 1 3 ? -10.873 0.630 -2.589 1.00 94.12 3 A 1 ATOM 23 C CG . LEU A 1 3 ? -11.651 0.135 -3.802 1.00 88.81 3 A 1 ATOM 24 C CD1 . LEU A 1 3 ? -12.817 1.062 -4.090 1.00 84.79 3 A 1 ATOM 25 C CD2 . LEU A 1 3 ? -10.744 0.035 -5.014 1.00 84.82 3 A 1 ATOM 26 N N . LEU A 1 4 ? -9.239 0.428 0.137 1.00 95.49 4 A 1 ATOM 27 C CA . LEU A 1 4 ? -8.421 1.079 1.157 1.00 95.34 4 A 1 ATOM 28 C C . LEU A 1 4 ? -7.081 0.370 1.301 1.00 96.23 4 A 1 ATOM 29 O O . LEU A 1 4 ? -6.041 1.011 1.450 1.00 96.05 4 A 1 ATOM 30 C CB . LEU A 1 4 ? -9.157 1.088 2.499 1.00 95.62 4 A 1 ATOM 31 C CG . LEU A 1 4 ? -8.396 1.783 3.628 1.00 89.80 4 A 1 ATOM 32 C CD1 . LEU A 1 4 ? -8.172 3.251 3.301 1.00 85.66 4 A 1 ATOM 33 C CD2 . LEU A 1 4 ? -9.154 1.646 4.939 1.00 86.91 4 A 1 ATOM 34 N N . LEU A 1 5 ? -7.112 -0.947 1.258 1.00 95.82 5 A 1 ATOM 35 C CA . LEU A 1 5 ? -5.899 -1.749 1.366 1.00 95.67 5 A 1 ATOM 36 C C . LEU A 1 5 ? -4.960 -1.482 0.197 1.00 96.34 5 A 1 ATOM 37 O O . LEU A 1 5 ? -3.746 -1.365 0.379 1.00 96.43 5 A 1 ATOM 38 C CB . LEU A 1 5 ? -6.261 -3.232 1.413 1.00 95.65 5 A 1 ATOM 39 C CG . LEU A 1 5 ? -5.061 -4.157 1.557 1.00 85.85 5 A 1 ATOM 40 C CD1 . LEU A 1 5 ? -4.347 -3.908 2.877 1.00 83.96 5 A 1 ATOM 41 C CD2 . LEU A 1 5 ? -5.498 -5.608 1.463 1.00 85.74 5 A 1 ATOM 42 N N . LEU A 1 6 ? -5.521 -1.394 -0.997 1.00 95.54 6 A 1 ATOM 43 C CA . LEU A 1 6 ? -4.738 -1.120 -2.197 1.00 95.34 6 A 1 ATOM 44 C C . LEU A 1 6 ? -4.076 0.249 -2.116 1.00 96.24 6 A 1 ATOM 45 O O . LEU A 1 6 ? -2.906 0.407 -2.462 1.00 96.42 6 A 1 ATOM 46 C CB . LEU A 1 6 ? -5.625 -1.189 -3.436 1.00 95.48 6 A 1 ATOM 47 C CG . LEU A 1 6 ? -5.692 -2.570 -4.076 1.00 90.98 6 A 1 ATOM 48 C CD1 . LEU A 1 6 ? -6.462 -3.536 -3.190 1.00 86.80 6 A 1 ATOM 49 C CD2 . LEU A 1 6 ? -6.323 -2.492 -5.455 1.00 88.10 6 A 1 ATOM 50 N N . ALA A 1 7 ? -4.836 1.237 -1.660 1.00 96.79 7 A 1 ATOM 51 C CA . ALA A 1 7 ? -4.325 2.597 -1.539 1.00 96.89 7 A 1 ATOM 52 C C . ALA A 1 7 ? -3.182 2.660 -0.531 1.00 97.42 7 A 1 ATOM 53 O O . ALA A 1 7 ? -2.159 3.299 -0.776 1.00 96.92 7 A 1 ATOM 54 C CB . ALA A 1 7 ? -5.448 3.540 -1.118 1.00 96.73 7 A 1 ATOM 55 N N . LEU A 1 8 ? -3.361 1.985 0.599 1.00 95.50 8 A 1 ATOM 56 C CA . LEU A 1 8 ? -2.344 1.958 1.645 1.00 95.38 8 A 1 ATOM 57 C C . LEU A 1 8 ? -1.084 1.257 1.159 1.00 96.26 8 A 1 ATOM 58 O O . LEU A 1 8 ? 0.029 1.741 1.367 1.00 95.97 8 A 1 ATOM 59 C CB . LEU A 1 8 ? -2.886 1.240 2.881 1.00 95.73 8 A 1 ATOM 60 C CG . LEU A 1 8 ? -1.966 1.331 4.100 1.00 91.19 8 A 1 ATOM 61 C CD1 . LEU A 1 8 ? -2.012 2.727 4.695 1.00 86.47 8 A 1 ATOM 62 C CD2 . LEU A 1 8 ? -2.369 0.304 5.147 1.00 88.14 8 A 1 ATOM 63 N N . PHE A 1 9 ? -1.259 0.115 0.519 1.00 95.07 9 A 1 ATOM 64 C CA . PHE A 1 9 ? -0.142 -0.661 -0.008 1.00 95.06 9 A 1 ATOM 65 C C . PHE A 1 9 ? 0.645 0.133 -1.039 1.00 96.04 9 A 1 ATOM 66 O O . PHE A 1 9 ? 1.877 0.112 -1.046 1.00 95.99 9 A 1 ATOM 67 C CB . PHE A 1 9 ? -0.664 -1.953 -0.643 1.00 94.93 9 A 1 ATOM 68 C CG . PHE A 1 9 ? 0.416 -2.736 -1.348 1.00 92.75 9 A 1 ATOM 69 C CD1 . PHE A 1 9 ? 1.425 -3.347 -0.629 1.00 89.02 9 A 1 ATOM 70 C CD2 . PHE A 1 9 ? 0.413 -2.833 -2.728 1.00 90.21 9 A 1 ATOM 71 C CE1 . PHE A 1 9 ? 2.427 -4.058 -1.272 1.00 88.36 9 A 1 ATOM 72 C CE2 . PHE A 1 9 ? 1.419 -3.544 -3.378 1.00 89.05 9 A 1 ATOM 73 C CZ . PHE A 1 9 ? 2.420 -4.154 -2.650 1.00 89.64 9 A 1 ATOM 74 N N . LEU A 1 10 ? -0.059 0.826 -1.902 1.00 96.65 10 A 1 ATOM 75 C CA . LEU A 1 10 ? 0.580 1.629 -2.943 1.00 96.30 10 A 1 ATOM 76 C C . LEU A 1 10 ? 1.407 2.747 -2.320 1.00 97.03 10 A 1 ATOM 77 O O . LEU A 1 10 ? 2.510 3.055 -2.780 1.00 96.73 10 A 1 ATOM 78 C CB . LEU A 1 10 ? -0.487 2.196 -3.885 1.00 95.75 10 A 1 ATOM 79 C CG . LEU A 1 10 ? 0.024 2.506 -5.294 1.00 91.06 10 A 1 ATOM 80 C CD1 . LEU A 1 10 ? -1.138 2.561 -6.272 1.00 87.55 10 A 1 ATOM 81 C CD2 . LEU A 1 10 ? 0.786 3.812 -5.328 1.00 89.56 10 A 1 ATOM 82 N N . SER A 1 11 ? 0.886 3.349 -1.265 1.00 96.32 11 A 1 ATOM 83 C CA . SER A 1 11 ? 1.565 4.442 -0.578 1.00 96.48 11 A 1 ATOM 84 C C . SER A 1 11 ? 2.865 3.971 0.069 1.00 96.65 11 A 1 ATOM 85 O O . SER A 1 11 ? 3.911 4.591 -0.105 1.00 95.43 11 A 1 ATOM 86 C CB . SER A 1 11 ? 0.656 5.054 0.483 1.00 95.46 11 A 1 ATOM 87 O OG . SER A 1 11 ? 1.284 6.161 1.087 1.00 84.13 11 A 1 ATOM 88 N N . ILE A 1 12 ? 2.806 2.870 0.810 1.00 94.87 12 A 1 ATOM 89 C CA . ILE A 1 12 ? 3.991 2.346 1.485 1.00 93.94 12 A 1 ATOM 90 C C . ILE A 1 12 ? 5.039 1.884 0.479 1.00 94.60 12 A 1 ATOM 91 O O . ILE A 1 12 ? 6.239 2.026 0.711 1.00 93.78 12 A 1 ATOM 92 C CB . ILE A 1 12 ? 3.628 1.184 2.427 1.00 93.45 12 A 1 ATOM 93 C CG1 . ILE A 1 12 ? 2.991 0.033 1.655 1.00 90.52 12 A 1 ATOM 94 C CG2 . ILE A 1 12 ? 2.700 1.674 3.528 1.00 88.75 12 A 1 ATOM 95 C CD1 . ILE A 1 12 ? 2.841 -1.229 2.469 1.00 83.63 12 A 1 ATOM 96 N N . SER A 1 13 ? 4.581 1.338 -0.627 1.00 96.40 13 A 1 ATOM 97 C CA . SER A 1 13 ? 5.477 0.871 -1.679 1.00 96.23 13 A 1 ATOM 98 C C . SER A 1 13 ? 6.278 2.029 -2.262 1.00 96.17 13 A 1 ATOM 99 O O . SER A 1 13 ? 7.486 1.920 -2.475 1.00 94.67 13 A 1 ATOM 100 C CB . SER A 1 13 ? 4.690 0.185 -2.792 1.00 94.85 13 A 1 ATOM 101 O OG . SER A 1 13 ? 5.572 -0.301 -3.779 1.00 82.27 13 A 1 ATOM 102 N N . ALA A 1 14 ? 5.611 3.140 -2.511 1.00 96.76 14 A 1 ATOM 103 C CA . ALA A 1 14 ? 6.257 4.330 -3.060 1.00 96.25 14 A 1 ATOM 104 C C . ALA A 1 14 ? 7.241 4.932 -2.065 1.00 96.57 14 A 1 ATOM 105 O O . ALA A 1 14 ? 8.305 5.416 -2.449 1.00 94.50 14 A 1 ATOM 106 C CB . ALA A 1 14 ? 5.205 5.362 -3.444 1.00 94.70 14 A 1 ATOM 107 N N . SER A 1 15 ? 6.894 4.900 -0.783 1.00 95.79 15 A 1 ATOM 108 C CA . SER A 1 15 ? 7.751 5.446 0.264 1.00 95.48 15 A 1 ATOM 109 C C . SER A 1 15 ? 8.996 4.593 0.471 1.00 95.72 15 A 1 ATOM 110 O O . SER A 1 15 ? 10.105 5.112 0.587 1.00 93.01 15 A 1 ATOM 111 C CB . SER A 1 15 ? 6.977 5.560 1.572 1.00 93.41 15 A 1 ATOM 112 O OG . SER A 1 15 ? 5.950 6.519 1.458 1.00 82.46 15 A 1 ATOM 113 N N . CYS A 1 16 ? 8.817 3.287 0.519 1.00 93.54 16 A 1 ATOM 114 C CA . CYS A 1 16 ? 9.922 2.353 0.716 1.00 94.05 16 A 1 ATOM 115 C C . CYS A 1 16 ? 10.854 2.327 -0.489 1.00 94.99 16 A 1 ATOM 116 O O . CYS A 1 16 ? 12.070 2.474 -0.351 1.00 92.83 16 A 1 ATOM 117 C CB . CYS A 1 16 ? 9.383 0.948 0.983 1.00 91.42 16 A 1 ATOM 118 S SG . CYS A 1 16 ? 10.689 -0.205 1.431 1.00 82.73 16 A 1 ATOM 119 N N . LEU A 1 17 ? 10.277 2.143 -1.671 1.00 91.11 17 A 1 ATOM 120 C CA . LEU A 1 17 ? 11.049 2.087 -2.908 1.00 90.04 17 A 1 ATOM 121 C C . LEU A 1 17 ? 10.715 3.272 -3.798 1.00 91.22 17 A 1 ATOM 122 O O . LEU A 1 17 ? 9.638 3.326 -4.389 1.00 88.64 17 A 1 ATOM 123 C CB . LEU A 1 17 ? 10.760 0.777 -3.643 1.00 86.68 17 A 1 ATOM 124 C CG . LEU A 1 17 ? 11.179 -0.471 -2.876 1.00 80.42 17 A 1 ATOM 125 C CD1 . LEU A 1 17 ? 10.647 -1.716 -3.560 1.00 73.29 17 A 1 ATOM 126 C CD2 . LEU A 1 17 ? 12.694 -0.534 -2.763 1.00 71.48 17 A 1 ATOM 127 N N . ALA A 1 18 ? 11.655 4.214 -3.897 1.00 85.80 18 A 1 ATOM 128 C CA . ALA A 1 18 ? 11.428 5.400 -4.711 1.00 82.78 18 A 1 ATOM 129 C C . ALA A 1 18 ? 11.650 5.084 -6.188 1.00 79.11 18 A 1 ATOM 130 O O . ALA A 1 18 ? 12.794 4.809 -6.571 1.00 73.22 18 A 1 ATOM 131 C CB . ALA A 1 18 ? 12.345 6.527 -4.273 1.00 75.35 18 A 1 ATOM 132 O OXT . ALA A 1 18 ? 10.685 5.129 -6.965 1.00 67.87 18 A 1 #