# 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_spkb22231 # _entry.id spkb22231 # 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 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" # _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 ALA 2 1 n ALA 3 1 n LEU 4 1 n LEU 5 1 n LEU 6 1 n LEU 7 1 n PHE 8 1 n LEU 9 1 n PHE 10 1 n LEU 11 1 n PHE 12 1 n ALA 13 1 n SER 14 1 n SER 15 1 n ALA 16 1 n LEU 17 1 n SER 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 @ 2025-07-10 19:29:20)" _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 92.52 _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 83.94 1 1 A ALA 2 2 93.55 1 2 A ALA 3 2 96.76 1 3 A LEU 4 2 95.16 1 4 A LEU 5 2 94.33 1 5 A LEU 6 2 95.18 1 6 A LEU 7 2 94.44 1 7 A PHE 8 2 94.01 1 8 A LEU 9 2 94.69 1 9 A PHE 10 2 93.63 1 10 A LEU 11 2 95.45 1 11 A PHE 12 2 93.18 1 12 A ALA 13 2 97.00 1 13 A SER 14 2 94.58 1 14 A SER 15 2 92.10 1 15 A ALA 16 2 93.14 1 16 A LEU 17 2 86.81 1 17 A SER 18 2 78.78 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 ALA . 2 A 2 A 3 1 n ALA . 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 LEU . 7 A 7 A 8 1 n PHE . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n PHE . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n PHE . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n SER . 14 A 14 A 15 1 n SER . 15 A 15 A 16 1 n ALA . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n SER . 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 ? -11.376 -2.747 6.663 1.00 89.90 1 A 1 ATOM 2 C CA . MET A 1 1 ? -10.515 -1.825 7.425 1.00 90.97 1 A 1 ATOM 3 C C . MET A 1 1 ? -9.040 -2.136 7.195 1.00 91.34 1 A 1 ATOM 4 O O . MET A 1 1 ? -8.223 -1.226 7.048 1.00 89.94 1 A 1 ATOM 5 C CB . MET A 1 1 ? -10.825 -1.901 8.918 1.00 85.33 1 A 1 ATOM 6 C CG . MET A 1 1 ? -12.173 -1.270 9.259 1.00 79.12 1 A 1 ATOM 7 S SD . MET A 1 1 ? -13.536 -2.282 8.702 1.00 76.66 1 A 1 ATOM 8 C CE . MET A 1 1 ? -14.909 -1.214 9.112 1.00 68.30 1 A 1 ATOM 9 N N . ALA A 1 2 ? -8.720 -3.413 7.162 1.00 90.34 2 A 1 ATOM 10 C CA . ALA A 1 2 ? -7.341 -3.836 6.930 1.00 94.40 2 A 1 ATOM 11 C C . ALA A 1 2 ? -6.856 -3.430 5.544 1.00 96.40 2 A 1 ATOM 12 O O . ALA A 1 2 ? -5.672 -3.153 5.343 1.00 95.25 2 A 1 ATOM 13 C CB . ALA A 1 2 ? -7.223 -5.345 7.105 1.00 91.36 2 A 1 ATOM 14 N N . ALA A 1 3 ? -7.786 -3.396 4.596 1.00 95.86 3 A 1 ATOM 15 C CA . ALA A 1 3 ? -7.455 -3.009 3.228 1.00 97.07 3 A 1 ATOM 16 C C . ALA A 1 3 ? -6.963 -1.568 3.166 1.00 97.87 3 A 1 ATOM 17 O O . ALA A 1 3 ? -6.081 -1.241 2.370 1.00 97.02 3 A 1 ATOM 18 C CB . ALA A 1 3 ? -8.671 -3.196 2.330 1.00 95.96 3 A 1 ATOM 19 N N . LEU A 1 4 ? -7.523 -0.723 4.017 1.00 97.61 4 A 1 ATOM 20 C CA . LEU A 1 4 ? -7.128 0.681 4.086 1.00 97.71 4 A 1 ATOM 21 C C . LEU A 1 4 ? -5.688 0.801 4.573 1.00 97.96 4 A 1 ATOM 22 O O . LEU A 1 4 ? -4.908 1.601 4.063 1.00 97.49 4 A 1 ATOM 23 C CB . LEU A 1 4 ? -8.078 1.447 5.019 1.00 97.34 4 A 1 ATOM 24 C CG . LEU A 1 4 ? -8.369 2.887 4.597 1.00 92.93 4 A 1 ATOM 25 C CD1 . LEU A 1 4 ? -7.125 3.744 4.643 1.00 90.06 4 A 1 ATOM 26 C CD2 . LEU A 1 4 ? -8.998 2.912 3.212 1.00 90.20 4 A 1 ATOM 27 N N . LEU A 1 5 ? -5.352 -0.008 5.556 1.00 97.42 5 A 1 ATOM 28 C CA . LEU A 1 5 ? -3.999 -0.036 6.102 1.00 97.27 5 A 1 ATOM 29 C C . LEU A 1 5 ? -3.004 -0.509 5.052 1.00 97.62 5 A 1 ATOM 30 O O . LEU A 1 5 ? -1.921 0.059 4.902 1.00 97.39 5 A 1 ATOM 31 C CB . LEU A 1 5 ? -3.955 -0.959 7.321 1.00 97.09 5 A 1 ATOM 32 C CG . LEU A 1 5 ? -3.826 -0.227 8.651 1.00 90.49 5 A 1 ATOM 33 C CD1 . LEU A 1 5 ? -4.291 -1.107 9.793 1.00 88.18 5 A 1 ATOM 34 C CD2 . LEU A 1 5 ? -2.384 0.206 8.868 1.00 89.18 5 A 1 ATOM 35 N N . LEU A 1 6 ? -3.383 -1.555 4.331 1.00 97.75 6 A 1 ATOM 36 C CA . LEU A 1 6 ? -2.540 -2.108 3.279 1.00 97.73 6 A 1 ATOM 37 C C . LEU A 1 6 ? -2.348 -1.093 2.161 1.00 97.79 6 A 1 ATOM 38 O O . LEU A 1 6 ? -1.250 -0.940 1.628 1.00 97.49 6 A 1 ATOM 39 C CB . LEU A 1 6 ? -3.174 -3.391 2.732 1.00 97.53 6 A 1 ATOM 40 C CG . LEU A 1 6 ? -2.238 -4.596 2.680 1.00 92.57 6 A 1 ATOM 41 C CD1 . LEU A 1 6 ? -1.061 -4.338 1.756 1.00 89.65 6 A 1 ATOM 42 C CD2 . LEU A 1 6 ? -1.756 -4.945 4.079 1.00 90.95 6 A 1 ATOM 43 N N . LEU A 1 7 ? -3.422 -0.409 1.811 1.00 97.51 7 A 1 ATOM 44 C CA . LEU A 1 7 ? -3.383 0.614 0.768 1.00 97.31 7 A 1 ATOM 45 C C . LEU A 1 7 ? -2.465 1.762 1.168 1.00 97.48 7 A 1 ATOM 46 O O . LEU A 1 7 ? -1.655 2.228 0.363 1.00 97.17 7 A 1 ATOM 47 C CB . LEU A 1 7 ? -4.795 1.132 0.504 1.00 97.16 7 A 1 ATOM 48 C CG . LEU A 1 7 ? -4.895 2.193 -0.586 1.00 91.53 7 A 1 ATOM 49 C CD1 . LEU A 1 7 ? -4.605 1.587 -1.954 1.00 88.19 7 A 1 ATOM 50 C CD2 . LEU A 1 7 ? -6.264 2.836 -0.574 1.00 89.14 7 A 1 ATOM 51 N N . PHE A 1 8 ? -2.592 2.198 2.395 1.00 96.96 8 A 1 ATOM 52 C CA . PHE A 1 8 ? -1.763 3.278 2.923 1.00 96.81 8 A 1 ATOM 53 C C . PHE A 1 8 ? -0.294 2.873 2.952 1.00 97.19 8 A 1 ATOM 54 O O . PHE A 1 8 ? 0.582 3.641 2.557 1.00 96.95 8 A 1 ATOM 55 C CB . PHE A 1 8 ? -2.242 3.646 4.327 1.00 96.60 8 A 1 ATOM 56 C CG . PHE A 1 8 ? -1.342 4.633 5.017 1.00 94.67 8 A 1 ATOM 57 C CD1 . PHE A 1 8 ? -1.233 5.932 4.550 1.00 90.85 8 A 1 ATOM 58 C CD2 . PHE A 1 8 ? -0.609 4.248 6.125 1.00 91.85 8 A 1 ATOM 59 C CE1 . PHE A 1 8 ? -0.403 6.843 5.182 1.00 90.48 8 A 1 ATOM 60 C CE2 . PHE A 1 8 ? 0.228 5.159 6.757 1.00 90.45 8 A 1 ATOM 61 C CZ . PHE A 1 8 ? 0.331 6.453 6.286 1.00 91.30 8 A 1 ATOM 62 N N . LEU A 1 9 ? -0.042 1.661 3.413 1.00 97.30 9 A 1 ATOM 63 C CA . LEU A 1 9 ? 1.318 1.139 3.489 1.00 97.26 9 A 1 ATOM 64 C C . LEU A 1 9 ? 1.906 0.960 2.095 1.00 97.34 9 A 1 ATOM 65 O O . LEU A 1 9 ? 3.071 1.264 1.859 1.00 97.04 9 A 1 ATOM 66 C CB . LEU A 1 9 ? 1.326 -0.193 4.239 1.00 97.10 9 A 1 ATOM 67 C CG . LEU A 1 9 ? 2.670 -0.549 4.874 1.00 91.79 9 A 1 ATOM 68 C CD1 . LEU A 1 9 ? 2.944 0.346 6.074 1.00 89.60 9 A 1 ATOM 69 C CD2 . LEU A 1 9 ? 2.690 -2.009 5.284 1.00 90.07 9 A 1 ATOM 70 N N . PHE A 1 10 ? 1.095 0.469 1.177 1.00 97.43 10 A 1 ATOM 71 C CA . PHE A 1 10 ? 1.511 0.254 -0.205 1.00 97.01 10 A 1 ATOM 72 C C . PHE A 1 10 ? 1.855 1.572 -0.888 1.00 97.08 10 A 1 ATOM 73 O O . PHE A 1 10 ? 2.888 1.685 -1.553 1.00 96.20 10 A 1 ATOM 74 C CB . PHE A 1 10 ? 0.396 -0.463 -0.962 1.00 96.64 10 A 1 ATOM 75 C CG . PHE A 1 10 ? 0.621 -0.497 -2.447 1.00 94.30 10 A 1 ATOM 76 C CD1 . PHE A 1 10 ? 1.676 -1.216 -2.981 1.00 90.37 10 A 1 ATOM 77 C CD2 . PHE A 1 10 ? -0.225 0.192 -3.296 1.00 91.01 10 A 1 ATOM 78 C CE1 . PHE A 1 10 ? 1.892 -1.246 -4.347 1.00 89.74 10 A 1 ATOM 79 C CE2 . PHE A 1 10 ? -0.011 0.166 -4.667 1.00 89.74 10 A 1 ATOM 80 C CZ . PHE A 1 10 ? 1.048 -0.552 -5.192 1.00 90.41 10 A 1 ATOM 81 N N . LEU A 1 11 ? 0.992 2.549 -0.730 1.00 97.49 11 A 1 ATOM 82 C CA . LEU A 1 11 ? 1.203 3.862 -1.325 1.00 97.34 11 A 1 ATOM 83 C C . LEU A 1 11 ? 2.420 4.547 -0.723 1.00 97.33 11 A 1 ATOM 84 O O . LEU A 1 11 ? 3.238 5.126 -1.439 1.00 96.55 11 A 1 ATOM 85 C CB . LEU A 1 11 ? -0.037 4.729 -1.123 1.00 97.06 11 A 1 ATOM 86 C CG . LEU A 1 11 ? -0.070 5.966 -2.007 1.00 94.65 11 A 1 ATOM 87 C CD1 . LEU A 1 11 ? -0.509 5.599 -3.415 1.00 91.74 11 A 1 ATOM 88 C CD2 . LEU A 1 11 ? -0.986 7.014 -1.413 1.00 91.44 11 A 1 ATOM 89 N N . PHE A 1 12 ? 2.539 4.470 0.578 1.00 97.47 12 A 1 ATOM 90 C CA . PHE A 1 12 ? 3.653 5.082 1.284 1.00 96.98 12 A 1 ATOM 91 C C . PHE A 1 12 ? 4.964 4.391 0.943 1.00 97.16 12 A 1 ATOM 92 O O . PHE A 1 12 ? 5.990 5.048 0.775 1.00 96.39 12 A 1 ATOM 93 C CB . PHE A 1 12 ? 3.406 5.028 2.789 1.00 96.19 12 A 1 ATOM 94 C CG . PHE A 1 12 ? 4.243 6.020 3.550 1.00 93.31 12 A 1 ATOM 95 C CD1 . PHE A 1 12 ? 4.036 7.377 3.396 1.00 90.14 12 A 1 ATOM 96 C CD2 . PHE A 1 12 ? 5.232 5.580 4.411 1.00 90.19 12 A 1 ATOM 97 C CE1 . PHE A 1 12 ? 4.801 8.294 4.087 1.00 88.85 12 A 1 ATOM 98 C CE2 . PHE A 1 12 ? 6.005 6.496 5.107 1.00 89.45 12 A 1 ATOM 99 C CZ . PHE A 1 12 ? 5.790 7.852 4.946 1.00 88.81 12 A 1 ATOM 100 N N . ALA A 1 13 ? 4.924 3.066 0.829 1.00 97.67 13 A 1 ATOM 101 C CA . ALA A 1 13 ? 6.117 2.296 0.498 1.00 97.36 13 A 1 ATOM 102 C C . ALA A 1 13 ? 6.625 2.649 -0.895 1.00 97.37 13 A 1 ATOM 103 O O . ALA A 1 13 ? 7.832 2.736 -1.118 1.00 96.03 13 A 1 ATOM 104 C CB . ALA A 1 13 ? 5.818 0.806 0.591 1.00 96.57 13 A 1 ATOM 105 N N . SER A 1 14 ? 5.707 2.858 -1.827 1.00 97.05 14 A 1 ATOM 106 C CA . SER A 1 14 ? 6.060 3.217 -3.195 1.00 96.76 14 A 1 ATOM 107 C C . SER A 1 14 ? 6.552 4.656 -3.289 1.00 96.73 14 A 1 ATOM 108 O O . SER A 1 14 ? 7.465 4.959 -4.057 1.00 94.41 14 A 1 ATOM 109 C CB . SER A 1 14 ? 4.860 3.015 -4.113 1.00 95.26 14 A 1 ATOM 110 O OG . SER A 1 14 ? 4.530 1.646 -4.196 1.00 87.27 14 A 1 ATOM 111 N N . SER A 1 15 ? 5.946 5.534 -2.515 1.00 95.31 15 A 1 ATOM 112 C CA . SER A 1 15 ? 6.292 6.951 -2.518 1.00 95.04 15 A 1 ATOM 113 C C . SER A 1 15 ? 7.549 7.238 -1.707 1.00 95.01 15 A 1 ATOM 114 O O . SER A 1 15 ? 8.381 8.052 -2.106 1.00 91.93 15 A 1 ATOM 115 C CB . SER A 1 15 ? 5.128 7.776 -1.974 1.00 92.76 15 A 1 ATOM 116 O OG . SER A 1 15 ? 5.224 9.102 -2.414 1.00 82.52 15 A 1 ATOM 117 N N . ALA A 1 16 ? 7.674 6.571 -0.573 1.00 94.52 16 A 1 ATOM 118 C CA . ALA A 1 16 ? 8.808 6.770 0.327 1.00 93.87 16 A 1 ATOM 119 C C . ALA A 1 16 ? 10.071 6.090 -0.186 1.00 93.85 16 A 1 ATOM 120 O O . ALA A 1 16 ? 11.173 6.403 0.259 1.00 91.46 16 A 1 ATOM 121 C CB . ALA A 1 16 ? 8.473 6.256 1.724 1.00 92.01 16 A 1 ATOM 122 N N . LEU A 1 17 ? 9.908 5.155 -1.112 1.00 93.87 17 A 1 ATOM 123 C CA . LEU A 1 17 ? 11.039 4.429 -1.670 1.00 91.64 17 A 1 ATOM 124 C C . LEU A 1 17 ? 11.875 5.321 -2.581 1.00 91.51 17 A 1 ATOM 125 O O . LEU A 1 17 ? 13.062 5.067 -2.790 1.00 86.99 17 A 1 ATOM 126 C CB . LEU A 1 17 ? 10.540 3.207 -2.436 1.00 89.32 17 A 1 ATOM 127 C CG . LEU A 1 17 ? 11.598 2.167 -2.759 1.00 86.10 17 A 1 ATOM 128 C CD1 . LEU A 1 17 ? 12.135 1.530 -1.488 1.00 79.76 17 A 1 ATOM 129 C CD2 . LEU A 1 17 ? 11.022 1.109 -3.682 1.00 75.33 17 A 1 ATOM 130 N N . SER A 1 18 ? 11.266 6.357 -3.105 1.00 89.95 18 A 1 ATOM 131 C CA . SER A 1 18 ? 11.936 7.300 -3.998 1.00 86.02 18 A 1 ATOM 132 C C . SER A 1 18 ? 12.625 8.406 -3.210 1.00 80.87 18 A 1 ATOM 133 O O . SER A 1 18 ? 13.687 8.877 -3.641 1.00 73.14 18 A 1 ATOM 134 C CB . SER A 1 18 ? 10.935 7.903 -4.976 1.00 78.86 18 A 1 ATOM 135 O OG . SER A 1 18 ? 10.468 6.924 -5.873 1.00 71.25 18 A 1 ATOM 136 O OXT . SER A 1 18 ? 12.081 8.832 -2.177 1.00 71.36 18 A 1 #