# 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_spkb30606 # _entry.id spkb30606 # 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" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=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 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" "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" "C3 H7 N O3" 105.093 SER y SERINE C([C@@H](C(=O)O)N)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" "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" # _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 PRO 2 1 n GLY 3 1 n LEU 4 1 n LEU 5 1 n ASN 6 1 n TRP 7 1 n ILE 8 1 n THR 9 1 n GLY 10 1 n ALA 11 1 n ALA 12 1 n LEU 13 1 n PRO 14 1 n LEU 15 1 n THR 16 1 n ALA 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 @ 2025-07-12 11:06:58)" _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 86.97 _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 75.36 1 1 A PRO 2 2 83.26 1 2 A GLY 3 2 88.10 1 3 A LEU 4 2 88.15 1 4 A LEU 5 2 88.65 1 5 A ASN 6 2 88.29 1 6 A TRP 7 2 87.62 1 7 A ILE 8 2 89.89 1 8 A THR 9 2 89.01 1 9 A GLY 10 2 91.01 1 10 A ALA 11 2 91.15 1 11 A ALA 12 2 91.37 1 12 A LEU 13 2 88.15 1 13 A PRO 14 2 90.69 1 14 A LEU 15 2 87.03 1 15 A THR 16 2 85.76 1 16 A ALA 17 2 88.10 1 17 A SER 18 2 78.76 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 PRO . 2 A 2 A 3 1 n GLY . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n ASN . 6 A 6 A 7 1 n TRP . 7 A 7 A 8 1 n ILE . 8 A 8 A 9 1 n THR . 9 A 9 A 10 1 n GLY . 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 PRO . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n THR . 16 A 16 A 17 1 n ALA . 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 ? -7.121 9.147 5.454 1.00 76.94 1 A 1 ATOM 2 C CA . MET A 1 1 ? -5.769 8.575 5.263 1.00 80.55 1 A 1 ATOM 3 C C . MET A 1 1 ? -5.844 7.230 4.528 1.00 81.63 1 A 1 ATOM 4 O O . MET A 1 1 ? -5.726 6.172 5.140 1.00 79.95 1 A 1 ATOM 5 C CB . MET A 1 1 ? -5.119 8.366 6.629 1.00 75.26 1 A 1 ATOM 6 C CG . MET A 1 1 ? -4.947 9.687 7.363 1.00 73.64 1 A 1 ATOM 7 S SD . MET A 1 1 ? -4.165 9.450 8.966 1.00 70.64 1 A 1 ATOM 8 C CE . MET A 1 1 ? -4.224 11.135 9.570 1.00 64.28 1 A 1 ATOM 9 N N . PRO A 1 2 ? -6.032 7.244 3.210 1.00 81.62 2 A 1 ATOM 10 C CA . PRO A 1 2 ? -6.131 6.020 2.400 1.00 85.50 2 A 1 ATOM 11 C C . PRO A 1 2 ? -4.768 5.352 2.194 1.00 86.90 2 A 1 ATOM 12 O O . PRO A 1 2 ? -3.988 5.751 1.338 1.00 82.09 2 A 1 ATOM 13 C CB . PRO A 1 2 ? -6.692 6.539 1.072 1.00 81.75 2 A 1 ATOM 14 C CG . PRO A 1 2 ? -6.177 7.956 0.984 1.00 80.28 2 A 1 ATOM 15 C CD . PRO A 1 2 ? -6.166 8.465 2.421 1.00 84.67 2 A 1 ATOM 16 N N . GLY A 1 3 ? -4.482 4.336 2.975 1.00 86.56 3 A 1 ATOM 17 C CA . GLY A 1 3 ? -3.194 3.640 2.840 1.00 87.66 3 A 1 ATOM 18 C C . GLY A 1 3 ? -2.997 2.609 3.943 1.00 89.83 3 A 1 ATOM 19 O O . GLY A 1 3 ? -1.891 2.408 4.416 1.00 88.36 3 A 1 ATOM 20 N N . LEU A 1 4 ? -4.069 1.968 4.362 1.00 89.16 4 A 1 ATOM 21 C CA . LEU A 1 4 ? -3.982 0.954 5.424 1.00 90.40 4 A 1 ATOM 22 C C . LEU A 1 4 ? -3.120 -0.224 4.987 1.00 91.75 4 A 1 ATOM 23 O O . LEU A 1 4 ? -2.313 -0.728 5.756 1.00 91.00 4 A 1 ATOM 24 C CB . LEU A 1 4 ? -5.395 0.458 5.755 1.00 89.30 4 A 1 ATOM 25 C CG . LEU A 1 4 ? -6.101 1.363 6.762 1.00 86.12 4 A 1 ATOM 26 C CD1 . LEU A 1 4 ? -7.598 1.088 6.742 1.00 84.51 4 A 1 ATOM 27 C CD2 . LEU A 1 4 ? -5.548 1.109 8.158 1.00 82.97 4 A 1 ATOM 28 N N . LEU A 1 5 ? -3.273 -0.672 3.759 1.00 90.93 5 A 1 ATOM 29 C CA . LEU A 1 5 ? -2.510 -1.819 3.249 1.00 90.82 5 A 1 ATOM 30 C C . LEU A 1 5 ? -1.047 -1.451 3.020 1.00 91.34 5 A 1 ATOM 31 O O . LEU A 1 5 ? -0.203 -2.324 2.872 1.00 90.29 5 A 1 ATOM 32 C CB . LEU A 1 5 ? -3.132 -2.286 1.929 1.00 89.84 5 A 1 ATOM 33 C CG . LEU A 1 5 ? -4.661 -2.307 1.978 1.00 87.48 5 A 1 ATOM 34 C CD1 . LEU A 1 5 ? -5.206 -2.580 0.576 1.00 84.92 5 A 1 ATOM 35 C CD2 . LEU A 1 5 ? -5.144 -3.382 2.944 1.00 83.59 5 A 1 ATOM 36 N N . ASN A 1 6 ? -0.743 -0.172 2.991 1.00 90.76 6 A 1 ATOM 37 C CA . ASN A 1 6 ? 0.639 0.280 2.750 1.00 90.23 6 A 1 ATOM 38 C C . ASN A 1 6 ? 1.529 0.006 3.961 1.00 90.78 6 A 1 ATOM 39 O O . ASN A 1 6 ? 2.561 -0.644 3.843 1.00 89.92 6 A 1 ATOM 40 C CB . ASN A 1 6 ? 0.634 1.778 2.450 1.00 88.93 6 A 1 ATOM 41 C CG . ASN A 1 6 ? 2.021 2.226 2.030 1.00 87.38 6 A 1 ATOM 42 O OD1 . ASN A 1 6 ? 2.849 2.538 2.863 1.00 85.09 6 A 1 ATOM 43 N ND2 . ASN A 1 6 ? 2.299 2.260 0.740 1.00 83.23 6 A 1 ATOM 44 N N . TRP A 1 7 ? 1.132 0.478 5.138 1.00 90.16 7 A 1 ATOM 45 C CA . TRP A 1 7 ? 1.928 0.268 6.356 1.00 90.14 7 A 1 ATOM 46 C C . TRP A 1 7 ? 1.705 -1.121 6.950 1.00 91.41 7 A 1 ATOM 47 O O . TRP A 1 7 ? 2.649 -1.763 7.397 1.00 90.36 7 A 1 ATOM 48 C CB . TRP A 1 7 ? 1.567 1.336 7.384 1.00 89.43 7 A 1 ATOM 49 C CG . TRP A 1 7 ? 0.137 1.242 7.833 1.00 87.91 7 A 1 ATOM 50 C CD1 . TRP A 1 7 ? -0.927 1.825 7.227 1.00 86.43 7 A 1 ATOM 51 C CD2 . TRP A 1 7 ? -0.379 0.521 8.969 1.00 87.92 7 A 1 ATOM 52 N NE1 . TRP A 1 7 ? -2.078 1.503 7.916 1.00 85.50 7 A 1 ATOM 53 C CE2 . TRP A 1 7 ? -1.775 0.709 8.989 1.00 86.91 7 A 1 ATOM 54 C CE3 . TRP A 1 7 ? 0.216 -0.258 9.970 1.00 86.00 7 A 1 ATOM 55 C CZ2 . TRP A 1 7 ? -2.588 0.134 9.982 1.00 86.29 7 A 1 ATOM 56 C CZ3 . TRP A 1 7 ? -0.588 -0.831 10.957 1.00 84.20 7 A 1 ATOM 57 C CH2 . TRP A 1 7 ? -1.978 -0.633 10.957 1.00 83.96 7 A 1 ATOM 58 N N . ILE A 1 8 ? 0.471 -1.572 6.958 1.00 91.68 8 A 1 ATOM 59 C CA . ILE A 1 8 ? 0.155 -2.886 7.529 1.00 91.24 8 A 1 ATOM 60 C C . ILE A 1 8 ? 0.834 -4.008 6.747 1.00 91.74 8 A 1 ATOM 61 O O . ILE A 1 8 ? 1.296 -4.988 7.325 1.00 90.68 8 A 1 ATOM 62 C CB . ILE A 1 8 ? -1.367 -3.104 7.536 1.00 91.07 8 A 1 ATOM 63 C CG1 . ILE A 1 8 ? -1.683 -4.370 8.351 1.00 89.34 8 A 1 ATOM 64 C CG2 . ILE A 1 8 ? -1.871 -3.267 6.107 1.00 88.47 8 A 1 ATOM 65 C CD1 . ILE A 1 8 ? -3.183 -4.518 8.573 1.00 84.86 8 A 1 ATOM 66 N N . THR A 1 9 ? 0.897 -3.875 5.447 1.00 90.75 9 A 1 ATOM 67 C CA . THR A 1 9 ? 1.527 -4.902 4.597 1.00 90.28 9 A 1 ATOM 68 C C . THR A 1 9 ? 3.032 -4.669 4.495 1.00 90.98 9 A 1 ATOM 69 O O . THR A 1 9 ? 3.829 -5.567 4.740 1.00 89.89 9 A 1 ATOM 70 C CB . THR A 1 9 ? 0.912 -4.859 3.191 1.00 88.71 9 A 1 ATOM 71 O OG1 . THR A 1 9 ? -0.484 -5.100 3.288 1.00 86.97 9 A 1 ATOM 72 C CG2 . THR A 1 9 ? 1.533 -5.928 2.308 1.00 85.49 9 A 1 ATOM 73 N N . GLY A 1 10 ? 3.438 -3.485 4.119 1.00 90.52 10 A 1 ATOM 74 C CA . GLY A 1 10 ? 4.863 -3.159 4.005 1.00 90.39 10 A 1 ATOM 75 C C . GLY A 1 10 ? 5.557 -3.978 2.934 1.00 92.17 10 A 1 ATOM 76 O O . GLY A 1 10 ? 6.759 -3.850 2.727 1.00 90.96 10 A 1 ATOM 77 N N . ALA A 1 11 ? 4.825 -4.820 2.238 1.00 91.16 11 A 1 ATOM 78 C CA . ALA A 1 11 ? 5.403 -5.664 1.182 1.00 91.49 11 A 1 ATOM 79 C C . ALA A 1 11 ? 5.700 -4.846 -0.072 1.00 92.69 11 A 1 ATOM 80 O O . ALA A 1 11 ? 6.770 -4.949 -0.659 1.00 90.69 11 A 1 ATOM 81 C CB . ALA A 1 11 ? 4.428 -6.788 0.854 1.00 89.74 11 A 1 ATOM 82 N N . ALA A 1 12 ? 4.750 -4.045 -0.496 1.00 91.75 12 A 1 ATOM 83 C CA . ALA A 1 12 ? 4.939 -3.198 -1.685 1.00 91.76 12 A 1 ATOM 84 C C . ALA A 1 12 ? 4.274 -1.842 -1.466 1.00 92.52 12 A 1 ATOM 85 O O . ALA A 1 12 ? 3.183 -1.593 -1.954 1.00 90.80 12 A 1 ATOM 86 C CB . ALA A 1 12 ? 4.328 -3.901 -2.888 1.00 90.02 12 A 1 ATOM 87 N N . LEU A 1 13 ? 4.925 -0.983 -0.740 1.00 90.84 13 A 1 ATOM 88 C CA . LEU A 1 13 ? 4.388 0.351 -0.433 1.00 90.52 13 A 1 ATOM 89 C C . LEU A 1 13 ? 3.753 1.007 -1.667 1.00 91.67 13 A 1 ATOM 90 O O . LEU A 1 13 ? 2.584 1.377 -1.630 1.00 90.91 13 A 1 ATOM 91 C CB . LEU A 1 13 ? 5.516 1.225 0.118 1.00 88.56 13 A 1 ATOM 92 C CG . LEU A 1 13 ? 6.373 0.505 1.166 1.00 85.92 13 A 1 ATOM 93 C CD1 . LEU A 1 13 ? 7.454 1.448 1.679 1.00 84.10 13 A 1 ATOM 94 C CD2 . LEU A 1 13 ? 5.515 0.000 2.315 1.00 82.64 13 A 1 ATOM 95 N N . PRO A 1 14 ? 4.522 1.159 -2.758 1.00 91.65 14 A 1 ATOM 96 C CA . PRO A 1 14 ? 3.980 1.804 -3.971 1.00 91.31 14 A 1 ATOM 97 C C . PRO A 1 14 ? 3.113 0.880 -4.810 1.00 91.56 14 A 1 ATOM 98 O O . PRO A 1 14 ? 2.439 1.329 -5.737 1.00 89.84 14 A 1 ATOM 99 C CB . PRO A 1 14 ? 5.249 2.203 -4.740 1.00 89.30 14 A 1 ATOM 100 C CG . PRO A 1 14 ? 6.241 1.148 -4.340 1.00 89.39 14 A 1 ATOM 101 C CD . PRO A 1 14 ? 5.921 0.772 -2.904 1.00 91.77 14 A 1 ATOM 102 N N . LEU A 1 15 ? 3.111 -0.402 -4.494 1.00 90.17 15 A 1 ATOM 103 C CA . LEU A 1 15 ? 2.310 -1.364 -5.258 1.00 89.92 15 A 1 ATOM 104 C C . LEU A 1 15 ? 0.901 -1.487 -4.686 1.00 90.88 15 A 1 ATOM 105 O O . LEU A 1 15 ? -0.013 -1.955 -5.349 1.00 89.17 15 A 1 ATOM 106 C CB . LEU A 1 15 ? 3.002 -2.729 -5.226 1.00 87.69 15 A 1 ATOM 107 C CG . LEU A 1 15 ? 2.216 -3.803 -5.973 1.00 85.38 15 A 1 ATOM 108 C CD1 . LEU A 1 15 ? 2.002 -3.393 -7.426 1.00 82.20 15 A 1 ATOM 109 C CD2 . LEU A 1 15 ? 2.986 -5.127 -5.923 1.00 80.82 15 A 1 ATOM 110 N N . THR A 1 16 ? 0.723 -1.071 -3.456 1.00 88.06 16 A 1 ATOM 111 C CA . THR A 1 16 ? -0.592 -1.164 -2.791 1.00 87.77 16 A 1 ATOM 112 C C . THR A 1 16 ? -1.697 -0.674 -3.723 1.00 87.80 16 A 1 ATOM 113 O O . THR A 1 16 ? -1.647 0.439 -4.226 1.00 87.27 16 A 1 ATOM 114 C CB . THR A 1 16 ? -0.600 -0.299 -1.529 1.00 85.64 16 A 1 ATOM 115 O OG1 . THR A 1 16 ? 0.655 -0.422 -0.861 1.00 82.37 16 A 1 ATOM 116 C CG2 . THR A 1 16 ? -1.701 -0.777 -0.599 1.00 81.40 16 A 1 ATOM 117 N N . ALA A 1 17 ? -2.697 -1.509 -3.939 1.00 89.12 17 A 1 ATOM 118 C CA . ALA A 1 17 ? -3.806 -1.142 -4.835 1.00 88.40 17 A 1 ATOM 119 C C . ALA A 1 17 ? -4.881 -0.377 -4.067 1.00 88.79 17 A 1 ATOM 120 O O . ALA A 1 17 ? -6.063 -0.684 -4.146 1.00 87.89 17 A 1 ATOM 121 C CB . ALA A 1 17 ? -4.391 -2.412 -5.445 1.00 86.32 17 A 1 ATOM 122 N N . SER A 1 18 ? -4.465 0.612 -3.312 1.00 85.38 18 A 1 ATOM 123 C CA . SER A 1 18 ? -5.403 1.417 -2.516 1.00 83.38 18 A 1 ATOM 124 C C . SER A 1 18 ? -6.274 2.279 -3.427 1.00 80.06 18 A 1 ATOM 125 O O . SER A 1 18 ? -7.338 1.801 -3.849 1.00 75.90 18 A 1 ATOM 126 C CB . SER A 1 18 ? -4.611 2.307 -1.549 1.00 78.19 18 A 1 ATOM 127 O OG . SER A 1 18 ? -3.781 1.555 -0.728 1.00 73.91 18 A 1 ATOM 128 O OXT . SER A 1 18 ? -5.923 3.403 -3.731 1.00 74.49 18 A 1 #