# 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_spkb11484 # _entry.id spkb11484 # 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" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[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" "C5 H11 N O2 S" 149.211 MET y METHIONINE CSCC[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" "C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N ? "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 GLU 2 1 n TRP 3 1 n VAL 4 1 n TRP 5 1 n ALA 6 1 n LEU 7 1 n VAL 8 1 n LEU 9 1 n LEU 10 1 n ALA 11 1 n ALA 12 1 n LEU 13 1 n GLY 14 1 n GLY 15 1 n GLY 16 1 n SER 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 22:01:28)" _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 89.86 _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 85.53 1 1 A GLU 2 2 90.38 1 2 A TRP 3 2 93.41 1 3 A VAL 4 2 96.20 1 4 A TRP 5 2 94.40 1 5 A ALA 6 2 96.54 1 6 A LEU 7 2 93.87 1 7 A VAL 8 2 95.59 1 8 A LEU 9 2 94.14 1 9 A LEU 10 2 92.55 1 10 A ALA 11 2 93.71 1 11 A ALA 12 2 94.40 1 12 A LEU 13 2 92.33 1 13 A GLY 14 2 89.08 1 14 A GLY 15 2 80.45 1 15 A GLY 16 2 75.17 1 16 A SER 17 2 70.23 1 17 A ALA 18 2 67.72 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 GLU . 2 A 2 A 3 1 n TRP . 3 A 3 A 4 1 n VAL . 4 A 4 A 5 1 n TRP . 5 A 5 A 6 1 n ALA . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n VAL . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n ALA . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n GLY . 14 A 14 A 15 1 n GLY . 15 A 15 A 16 1 n GLY . 16 A 16 A 17 1 n SER . 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 ? -11.046 7.043 7.294 1.00 92.52 1 A 1 ATOM 2 C CA . MET A 1 1 ? -9.905 6.123 7.213 1.00 94.33 1 A 1 ATOM 3 C C . MET A 1 1 ? -9.275 6.141 5.817 1.00 95.18 1 A 1 ATOM 4 O O . MET A 1 1 ? -9.549 5.278 4.986 1.00 92.93 1 A 1 ATOM 5 C CB . MET A 1 1 ? -10.367 4.708 7.542 1.00 88.85 1 A 1 ATOM 6 C CG . MET A 1 1 ? -9.779 4.195 8.840 1.00 81.03 1 A 1 ATOM 7 S SD . MET A 1 1 ? -10.252 2.492 9.125 1.00 74.56 1 A 1 ATOM 8 C CE . MET A 1 1 ? -9.686 2.292 10.802 1.00 64.85 1 A 1 ATOM 9 N N . GLU A 1 2 ? -8.460 7.125 5.571 1.00 95.88 2 A 1 ATOM 10 C CA . GLU A 1 2 ? -7.776 7.260 4.283 1.00 96.73 2 A 1 ATOM 11 C C . GLU A 1 2 ? -6.265 7.063 4.413 1.00 97.31 2 A 1 ATOM 12 O O . GLU A 1 2 ? -5.570 6.879 3.419 1.00 95.98 2 A 1 ATOM 13 C CB . GLU A 1 2 ? -8.080 8.635 3.694 1.00 94.91 2 A 1 ATOM 14 C CG . GLU A 1 2 ? -7.705 9.768 4.629 1.00 88.35 2 A 1 ATOM 15 C CD . GLU A 1 2 ? -8.225 11.096 4.107 1.00 85.58 2 A 1 ATOM 16 O OE1 . GLU A 1 2 ? -7.647 11.613 3.138 1.00 78.02 2 A 1 ATOM 17 O OE2 . GLU A 1 2 ? -9.207 11.593 4.653 1.00 80.67 2 A 1 ATOM 18 N N . TRP A 1 3 ? -5.785 7.091 5.641 1.00 96.82 3 A 1 ATOM 19 C CA . TRP A 1 3 ? -4.359 6.904 5.896 1.00 97.12 3 A 1 ATOM 20 C C . TRP A 1 3 ? -3.936 5.470 5.597 1.00 97.66 3 A 1 ATOM 21 O O . TRP A 1 3 ? -2.752 5.199 5.400 1.00 96.97 3 A 1 ATOM 22 C CB . TRP A 1 3 ? -4.047 7.247 7.353 1.00 96.21 3 A 1 ATOM 23 C CG . TRP A 1 3 ? -4.912 6.505 8.322 1.00 95.18 3 A 1 ATOM 24 C CD1 . TRP A 1 3 ? -6.121 6.902 8.799 1.00 92.44 3 A 1 ATOM 25 C CD2 . TRP A 1 3 ? -4.632 5.234 8.933 1.00 93.59 3 A 1 ATOM 26 N NE1 . TRP A 1 3 ? -6.618 5.956 9.665 1.00 90.77 3 A 1 ATOM 27 C CE2 . TRP A 1 3 ? -5.725 4.919 9.768 1.00 92.31 3 A 1 ATOM 28 C CE3 . TRP A 1 3 ? -3.561 4.337 8.854 1.00 90.95 3 A 1 ATOM 29 C CZ2 . TRP A 1 3 ? -5.766 3.739 10.515 1.00 90.51 3 A 1 ATOM 30 C CZ3 . TRP A 1 3 ? -3.604 3.163 9.599 1.00 89.01 3 A 1 ATOM 31 C CH2 . TRP A 1 3 ? -4.697 2.874 10.415 1.00 88.20 3 A 1 ATOM 32 N N . VAL A 1 4 ? -4.909 4.577 5.537 1.00 97.27 4 A 1 ATOM 33 C CA . VAL A 1 4 ? -4.651 3.166 5.233 1.00 97.46 4 A 1 ATOM 34 C C . VAL A 1 4 ? -4.044 3.031 3.839 1.00 97.72 4 A 1 ATOM 35 O O . VAL A 1 4 ? -3.092 2.277 3.631 1.00 97.19 4 A 1 ATOM 36 C CB . VAL A 1 4 ? -5.947 2.341 5.329 1.00 96.66 4 A 1 ATOM 37 C CG1 . VAL A 1 4 ? -5.671 0.878 5.028 1.00 93.75 4 A 1 ATOM 38 C CG2 . VAL A 1 4 ? -6.572 2.480 6.707 1.00 93.33 4 A 1 ATOM 39 N N . TRP A 1 5 ? -4.604 3.762 2.886 1.00 97.00 5 A 1 ATOM 40 C CA . TRP A 1 5 ? -4.104 3.731 1.512 1.00 97.21 5 A 1 ATOM 41 C C . TRP A 1 5 ? -2.690 4.289 1.443 1.00 97.62 5 A 1 ATOM 42 O O . TRP A 1 5 ? -1.842 3.776 0.718 1.00 97.18 5 A 1 ATOM 43 C CB . TRP A 1 5 ? -5.033 4.539 0.606 1.00 96.53 5 A 1 ATOM 44 C CG . TRP A 1 5 ? -6.308 3.812 0.323 1.00 95.86 5 A 1 ATOM 45 C CD1 . TRP A 1 5 ? -7.570 4.272 0.538 1.00 92.79 5 A 1 ATOM 46 C CD2 . TRP A 1 5 ? -6.449 2.497 -0.239 1.00 94.15 5 A 1 ATOM 47 N NE1 . TRP A 1 5 ? -8.481 3.326 0.145 1.00 92.63 5 A 1 ATOM 48 C CE2 . TRP A 1 5 ? -7.830 2.217 -0.339 1.00 93.53 5 A 1 ATOM 49 C CE3 . TRP A 1 5 ? -5.541 1.520 -0.671 1.00 93.12 5 A 1 ATOM 50 C CZ2 . TRP A 1 5 ? -8.306 1.011 -0.845 1.00 92.02 5 A 1 ATOM 51 C CZ3 . TRP A 1 5 ? -6.019 0.322 -1.175 1.00 91.24 5 A 1 ATOM 52 C CH2 . TRP A 1 5 ? -7.395 0.072 -1.260 1.00 90.74 5 A 1 ATOM 53 N N . ALA A 1 6 ? -2.449 5.331 2.200 1.00 96.66 6 A 1 ATOM 54 C CA . ALA A 1 6 ? -1.129 5.955 2.243 1.00 96.77 6 A 1 ATOM 55 C C . ALA A 1 6 ? -0.090 4.987 2.805 1.00 97.14 6 A 1 ATOM 56 O O . ALA A 1 6 ? 1.035 4.913 2.311 1.00 96.11 6 A 1 ATOM 57 C CB . ALA A 1 6 ? -1.186 7.217 3.090 1.00 96.04 6 A 1 ATOM 58 N N . LEU A 1 7 ? -0.483 4.246 3.822 1.00 96.09 7 A 1 ATOM 59 C CA . LEU A 1 7 ? 0.402 3.266 4.452 1.00 95.88 7 A 1 ATOM 60 C C . LEU A 1 7 ? 0.712 2.119 3.499 1.00 96.24 7 A 1 ATOM 61 O O . LEU A 1 7 ? 1.863 1.706 3.363 1.00 95.62 7 A 1 ATOM 62 C CB . LEU A 1 7 ? -0.260 2.722 5.720 1.00 95.08 7 A 1 ATOM 63 C CG . LEU A 1 7 ? 0.737 2.267 6.778 1.00 92.08 7 A 1 ATOM 64 C CD1 . LEU A 1 7 ? 1.101 3.420 7.699 1.00 90.42 7 A 1 ATOM 65 C CD2 . LEU A 1 7 ? 0.166 1.114 7.580 1.00 89.53 7 A 1 ATOM 66 N N . VAL A 1 8 ? -0.324 1.618 2.845 1.00 95.90 8 A 1 ATOM 67 C CA . VAL A 1 8 ? -0.176 0.514 1.895 1.00 96.15 8 A 1 ATOM 68 C C . VAL A 1 8 ? 0.680 0.942 0.705 1.00 96.59 8 A 1 ATOM 69 O O . VAL A 1 8 ? 1.564 0.204 0.267 1.00 96.22 8 A 1 ATOM 70 C CB . VAL A 1 8 ? -1.555 0.028 1.412 1.00 95.62 8 A 1 ATOM 71 C CG1 . VAL A 1 8 ? -1.413 -1.030 0.326 1.00 94.74 8 A 1 ATOM 72 C CG2 . VAL A 1 8 ? -2.359 -0.537 2.572 1.00 93.94 8 A 1 ATOM 73 N N . LEU A 1 9 ? 0.410 2.121 0.195 1.00 95.75 9 A 1 ATOM 74 C CA . LEU A 1 9 ? 1.160 2.648 -0.947 1.00 95.65 9 A 1 ATOM 75 C C . LEU A 1 9 ? 2.632 2.837 -0.591 1.00 95.96 9 A 1 ATOM 76 O O . LEU A 1 9 ? 3.519 2.520 -1.382 1.00 95.62 9 A 1 ATOM 77 C CB . LEU A 1 9 ? 0.544 3.979 -1.384 1.00 95.12 9 A 1 ATOM 78 C CG . LEU A 1 9 ? -0.509 3.819 -2.480 1.00 92.44 9 A 1 ATOM 79 C CD1 . LEU A 1 9 ? -1.671 4.770 -2.257 1.00 91.58 9 A 1 ATOM 80 C CD2 . LEU A 1 9 ? 0.121 4.063 -3.838 1.00 90.97 9 A 1 ATOM 81 N N . LEU A 1 10 ? 2.877 3.347 0.588 1.00 95.43 10 A 1 ATOM 82 C CA . LEU A 1 10 ? 4.244 3.568 1.059 1.00 94.69 10 A 1 ATOM 83 C C . LEU A 1 10 ? 5.000 2.250 1.163 1.00 94.72 10 A 1 ATOM 84 O O . LEU A 1 10 ? 6.146 2.147 0.721 1.00 93.52 10 A 1 ATOM 85 C CB . LEU A 1 10 ? 4.211 4.256 2.423 1.00 93.58 10 A 1 ATOM 86 C CG . LEU A 1 10 ? 5.518 4.944 2.794 1.00 90.24 10 A 1 ATOM 87 C CD1 . LEU A 1 10 ? 5.496 6.403 2.351 1.00 89.60 10 A 1 ATOM 88 C CD2 . LEU A 1 10 ? 5.761 4.853 4.287 1.00 88.64 10 A 1 ATOM 89 N N . ALA A 1 11 ? 4.352 1.246 1.735 1.00 95.23 11 A 1 ATOM 90 C CA . ALA A 1 11 ? 4.961 -0.070 1.895 1.00 94.54 11 A 1 ATOM 91 C C . ALA A 1 11 ? 5.200 -0.733 0.545 1.00 94.12 11 A 1 ATOM 92 O O . ALA A 1 11 ? 6.232 -1.371 0.336 1.00 91.11 11 A 1 ATOM 93 C CB . ALA A 1 11 ? 4.061 -0.945 2.762 1.00 93.54 11 A 1 ATOM 94 N N . ALA A 1 12 ? 4.247 -0.579 -0.366 1.00 95.70 12 A 1 ATOM 95 C CA . ALA A 1 12 ? 4.348 -1.168 -1.698 1.00 95.23 12 A 1 ATOM 96 C C . ALA A 1 12 ? 5.505 -0.561 -2.484 1.00 95.01 12 A 1 ATOM 97 O O . ALA A 1 12 ? 6.261 -1.273 -3.143 1.00 91.94 12 A 1 ATOM 98 C CB . ALA A 1 12 ? 3.034 -0.969 -2.451 1.00 94.10 12 A 1 ATOM 99 N N . LEU A 1 13 ? 5.642 0.747 -2.412 1.00 95.82 13 A 1 ATOM 100 C CA . LEU A 1 13 ? 6.705 1.447 -3.131 1.00 94.93 13 A 1 ATOM 101 C C . LEU A 1 13 ? 8.065 1.203 -2.492 1.00 94.18 13 A 1 ATOM 102 O O . LEU A 1 13 ? 9.066 1.034 -3.190 1.00 90.39 13 A 1 ATOM 103 C CB . LEU A 1 13 ? 6.402 2.945 -3.165 1.00 93.70 13 A 1 ATOM 104 C CG . LEU A 1 13 ? 5.340 3.336 -4.194 1.00 92.20 13 A 1 ATOM 105 C CD1 . LEU A 1 13 ? 4.711 4.662 -3.845 1.00 89.75 13 A 1 ATOM 106 C CD2 . LEU A 1 13 ? 5.966 3.390 -5.581 1.00 87.65 13 A 1 ATOM 107 N N . GLY A 1 14 ? 8.093 1.184 -1.183 1.00 92.64 14 A 1 ATOM 108 C CA . GLY A 1 14 ? 9.337 0.955 -0.457 1.00 90.93 14 A 1 ATOM 109 C C . GLY A 1 14 ? 9.781 -0.491 -0.474 1.00 89.46 14 A 1 ATOM 110 O O . GLY A 1 14 ? 10.960 -0.786 -0.285 1.00 83.30 14 A 1 ATOM 111 N N . GLY A 1 15 ? 8.851 -1.396 -0.714 1.00 85.71 15 A 1 ATOM 112 C CA . GLY A 1 15 ? 9.148 -2.830 -0.757 1.00 81.72 15 A 1 ATOM 113 C C . GLY A 1 15 ? 9.473 -3.325 -2.147 1.00 80.68 15 A 1 ATOM 114 O O . GLY A 1 15 ? 9.767 -4.500 -2.339 1.00 73.69 15 A 1 ATOM 115 N N . GLY A 1 16 ? 9.429 -2.448 -3.128 1.00 78.73 16 A 1 ATOM 116 C CA . GLY A 1 16 ? 9.718 -2.818 -4.505 1.00 75.69 16 A 1 ATOM 117 C C . GLY A 1 16 ? 11.165 -2.560 -4.872 1.00 76.08 16 A 1 ATOM 118 O O . GLY A 1 16 ? 11.516 -1.458 -5.280 1.00 70.19 16 A 1 ATOM 119 N N . SER A 1 17 ? 11.992 -3.580 -4.723 1.00 75.60 17 A 1 ATOM 120 C CA . SER A 1 17 ? 13.416 -3.455 -5.041 1.00 73.81 17 A 1 ATOM 121 C C . SER A 1 17 ? 14.046 -4.828 -5.240 1.00 73.71 17 A 1 ATOM 122 O O . SER A 1 17 ? 14.338 -5.243 -6.354 1.00 67.06 17 A 1 ATOM 123 C CB . SER A 1 17 ? 14.138 -2.700 -3.930 1.00 69.20 17 A 1 ATOM 124 O OG . SER A 1 17 ? 15.477 -2.475 -4.277 1.00 61.99 17 A 1 ATOM 125 N N . ALA A 1 18 ? 14.264 -5.532 -4.136 1.00 74.57 18 A 1 ATOM 126 C CA . ALA A 1 18 ? 14.881 -6.849 -4.185 1.00 72.63 18 A 1 ATOM 127 C C . ALA A 1 18 ? 14.117 -7.837 -3.319 1.00 70.36 18 A 1 ATOM 128 O O . ALA A 1 18 ? 13.602 -7.437 -2.271 1.00 64.16 18 A 1 ATOM 129 C CB . ALA A 1 18 ? 16.335 -6.770 -3.733 1.00 64.74 18 A 1 ATOM 130 O OXT . ALA A 1 18 ? 14.064 -9.034 -3.676 1.00 59.83 18 A 1 #