# 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_spkb23582 # _entry.id spkb23582 # 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 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" "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" "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 LEU 4 1 n ILE 5 1 n PHE 6 1 n SER 7 1 n LEU 8 1 n LEU 9 1 n LEU 10 1 n LEU 11 1 n ALA 12 1 n VAL 13 1 n SER 14 1 n ALA 15 1 n SER 16 1 n GLY 17 # _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 @ 2025-07-03 16:48:43)" _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 94.13 _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 87.02 1 1 A GLU 2 2 91.78 1 2 A TRP 3 2 92.67 1 3 A LEU 4 2 95.17 1 4 A ILE 5 2 96.16 1 5 A PHE 6 2 96.03 1 6 A SER 7 2 96.50 1 7 A LEU 8 2 96.04 1 8 A LEU 9 2 95.73 1 9 A LEU 10 2 96.23 1 10 A LEU 11 2 95.85 1 11 A ALA 12 2 97.92 1 12 A VAL 13 2 96.77 1 13 A SER 14 2 95.03 1 14 A ALA 15 2 96.38 1 15 A SER 16 2 91.07 1 16 A GLY 17 2 82.91 1 17 # _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 LEU . 4 A 4 A 5 1 n ILE . 5 A 5 A 6 1 n PHE . 6 A 6 A 7 1 n SER . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n VAL . 13 A 13 A 14 1 n SER . 14 A 14 A 15 1 n ALA . 15 A 15 A 16 1 n SER . 16 A 16 A 17 1 n GLY . 17 A 17 # _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 ? -13.209 0.749 2.353 1.00 93.76 1 A 1 ATOM 2 C CA . MET A 1 1 ? -11.996 0.042 2.805 1.00 95.28 1 A 1 ATOM 3 C C . MET A 1 1 ? -10.743 0.845 2.462 1.00 95.39 1 A 1 ATOM 4 O O . MET A 1 1 ? -10.379 0.960 1.291 1.00 93.83 1 A 1 ATOM 5 C CB . MET A 1 1 ? -11.913 -1.325 2.136 1.00 91.88 1 A 1 ATOM 6 C CG . MET A 1 1 ? -13.046 -2.250 2.569 1.00 84.21 1 A 1 ATOM 7 S SD . MET A 1 1 ? -12.629 -3.093 4.088 1.00 75.71 1 A 1 ATOM 8 C CE . MET A 1 1 ? -14.157 -3.958 4.408 1.00 66.13 1 A 1 ATOM 9 N N . GLU A 1 2 ? -10.111 1.404 3.480 1.00 97.08 2 A 1 ATOM 10 C CA . GLU A 1 2 ? -8.901 2.201 3.288 1.00 97.37 2 A 1 ATOM 11 C C . GLU A 1 2 ? -7.644 1.331 3.319 1.00 97.60 2 A 1 ATOM 12 O O . GLU A 1 2 ? -6.576 1.760 2.890 1.00 96.87 2 A 1 ATOM 13 C CB . GLU A 1 2 ? -8.810 3.274 4.376 1.00 96.05 2 A 1 ATOM 14 C CG . GLU A 1 2 ? -9.807 4.405 4.186 1.00 90.63 2 A 1 ATOM 15 C CD . GLU A 1 2 ? -9.505 5.571 5.103 1.00 86.61 2 A 1 ATOM 16 O OE1 . GLU A 1 2 ? -9.451 5.353 6.324 1.00 80.18 2 A 1 ATOM 17 O OE2 . GLU A 1 2 ? -9.315 6.690 4.598 1.00 83.59 2 A 1 ATOM 18 N N . TRP A 1 3 ? -7.790 0.118 3.828 1.00 96.83 3 A 1 ATOM 19 C CA . TRP A 1 3 ? -6.655 -0.791 3.932 1.00 97.32 3 A 1 ATOM 20 C C . TRP A 1 3 ? -6.139 -1.203 2.560 1.00 97.81 3 A 1 ATOM 21 O O . TRP A 1 3 ? -4.934 -1.287 2.341 1.00 97.16 3 A 1 ATOM 22 C CB . TRP A 1 3 ? -7.051 -2.028 4.742 1.00 96.34 3 A 1 ATOM 23 C CG . TRP A 1 3 ? -6.210 -2.199 5.964 1.00 93.88 3 A 1 ATOM 24 C CD1 . TRP A 1 3 ? -6.527 -1.824 7.229 1.00 90.90 3 A 1 ATOM 25 C CD2 . TRP A 1 3 ? -4.902 -2.793 6.044 1.00 92.72 3 A 1 ATOM 26 N NE1 . TRP A 1 3 ? -5.503 -2.142 8.087 1.00 89.65 3 A 1 ATOM 27 C CE2 . TRP A 1 3 ? -4.485 -2.741 7.396 1.00 91.98 3 A 1 ATOM 28 C CE3 . TRP A 1 3 ? -4.040 -3.363 5.104 1.00 89.83 3 A 1 ATOM 29 C CZ2 . TRP A 1 3 ? -3.252 -3.242 7.810 1.00 89.71 3 A 1 ATOM 30 C CZ3 . TRP A 1 3 ? -2.811 -3.863 5.521 1.00 87.24 3 A 1 ATOM 31 C CH2 . TRP A 1 3 ? -2.426 -3.801 6.856 1.00 85.96 3 A 1 ATOM 32 N N . LEU A 1 4 ? -7.068 -1.431 1.639 1.00 97.54 4 A 1 ATOM 33 C CA . LEU A 1 4 ? -6.685 -1.834 0.287 1.00 97.83 4 A 1 ATOM 34 C C . LEU A 1 4 ? -5.957 -0.708 -0.443 1.00 98.16 4 A 1 ATOM 35 O O . LEU A 1 4 ? -4.989 -0.955 -1.164 1.00 97.87 4 A 1 ATOM 36 C CB . LEU A 1 4 ? -7.928 -2.278 -0.501 1.00 97.44 4 A 1 ATOM 37 C CG . LEU A 1 4 ? -9.024 -1.223 -0.636 1.00 93.40 4 A 1 ATOM 38 C CD1 . LEU A 1 4 ? -8.916 -0.510 -1.986 1.00 89.61 4 A 1 ATOM 39 C CD2 . LEU A 1 4 ? -10.390 -1.869 -0.505 1.00 89.49 4 A 1 ATOM 40 N N . ILE A 1 5 ? -6.426 0.514 -0.249 1.00 97.81 5 A 1 ATOM 41 C CA . ILE A 1 5 ? -5.800 1.670 -0.892 1.00 97.95 5 A 1 ATOM 42 C C . ILE A 1 5 ? -4.414 1.925 -0.309 1.00 98.09 5 A 1 ATOM 43 O O . ILE A 1 5 ? -3.489 2.325 -1.017 1.00 97.92 5 A 1 ATOM 44 C CB . ILE A 1 5 ? -6.703 2.921 -0.777 1.00 97.76 5 A 1 ATOM 45 C CG1 . ILE A 1 5 ? -6.343 3.939 -1.864 1.00 95.53 5 A 1 ATOM 46 C CG2 . ILE A 1 5 ? -6.588 3.556 0.610 1.00 94.54 5 A 1 ATOM 47 C CD1 . ILE A 1 5 ? -7.510 4.753 -2.336 1.00 89.65 5 A 1 ATOM 48 N N . PHE A 1 6 ? -4.295 1.698 0.981 1.00 98.03 6 A 1 ATOM 49 C CA . PHE A 1 6 ? -3.021 1.880 1.669 1.00 98.07 6 A 1 ATOM 50 C C . PHE A 1 6 ? -1.996 0.874 1.162 1.00 98.29 6 A 1 ATOM 51 O O . PHE A 1 6 ? -0.830 1.209 0.951 1.00 98.13 6 A 1 ATOM 52 C CB . PHE A 1 6 ? -3.230 1.711 3.173 1.00 97.71 6 A 1 ATOM 53 C CG . PHE A 1 6 ? -2.101 2.288 3.987 1.00 96.40 6 A 1 ATOM 54 C CD1 . PHE A 1 6 ? -2.047 3.650 4.248 1.00 94.38 6 A 1 ATOM 55 C CD2 . PHE A 1 6 ? -1.111 1.467 4.486 1.00 94.41 6 A 1 ATOM 56 C CE1 . PHE A 1 6 ? -1.012 4.189 4.990 1.00 93.99 6 A 1 ATOM 57 C CE2 . PHE A 1 6 ? -0.064 2.000 5.229 1.00 93.36 6 A 1 ATOM 58 C CZ . PHE A 1 6 ? -0.014 3.361 5.481 1.00 93.52 6 A 1 ATOM 59 N N . SER A 1 7 ? -2.454 -0.349 0.972 1.00 97.75 7 A 1 ATOM 60 C CA . SER A 1 7 ? -1.586 -1.412 0.473 1.00 97.91 7 A 1 ATOM 61 C C . SER A 1 7 ? -1.125 -1.107 -0.950 1.00 98.17 7 A 1 ATOM 62 O O . SER A 1 7 ? 0.015 -1.387 -1.320 1.00 97.69 7 A 1 ATOM 63 C CB . SER A 1 7 ? -2.322 -2.749 0.519 1.00 97.53 7 A 1 ATOM 64 O OG . SER A 1 7 ? -1.409 -3.816 0.604 1.00 89.94 7 A 1 ATOM 65 N N . LEU A 1 8 ? -2.023 -0.533 -1.731 1.00 97.85 8 A 1 ATOM 66 C CA . LEU A 1 8 ? -1.713 -0.171 -3.115 1.00 97.97 8 A 1 ATOM 67 C C . LEU A 1 8 ? -0.622 0.892 -3.166 1.00 98.11 8 A 1 ATOM 68 O O . LEU A 1 8 ? 0.299 0.808 -3.983 1.00 97.86 8 A 1 ATOM 69 C CB . LEU A 1 8 ? -2.976 0.340 -3.812 1.00 97.82 8 A 1 ATOM 70 C CG . LEU A 1 8 ? -2.947 0.178 -5.327 1.00 94.44 8 A 1 ATOM 71 C CD1 . LEU A 1 8 ? -3.612 -1.130 -5.737 1.00 92.07 8 A 1 ATOM 72 C CD2 . LEU A 1 8 ? -3.630 1.349 -6.005 1.00 92.24 8 A 1 ATOM 73 N N . LEU A 1 9 ? -0.744 1.886 -2.293 1.00 98.05 9 A 1 ATOM 74 C CA . LEU A 1 9 ? 0.241 2.963 -2.232 1.00 97.87 9 A 1 ATOM 75 C C . LEU A 1 9 ? 1.606 2.432 -1.814 1.00 97.95 9 A 1 ATOM 76 O O . LEU A 1 9 ? 2.631 2.819 -2.378 1.00 97.66 9 A 1 ATOM 77 C CB . LEU A 1 9 ? -0.228 4.039 -1.244 1.00 97.58 9 A 1 ATOM 78 C CG . LEU A 1 9 ? -0.948 5.215 -1.896 1.00 93.54 9 A 1 ATOM 79 C CD1 . LEU A 1 9 ? -1.831 5.940 -0.901 1.00 91.49 9 A 1 ATOM 80 C CD2 . LEU A 1 9 ? 0.076 6.180 -2.492 1.00 91.71 9 A 1 ATOM 81 N N . LEU A 1 10 ? 1.597 1.559 -0.831 1.00 98.08 10 A 1 ATOM 82 C CA . LEU A 1 10 ? 2.837 0.963 -0.342 1.00 97.99 10 A 1 ATOM 83 C C . LEU A 1 10 ? 3.504 0.132 -1.433 1.00 98.05 10 A 1 ATOM 84 O O . LEU A 1 10 ? 4.728 0.141 -1.575 1.00 97.82 10 A 1 ATOM 85 C CB . LEU A 1 10 ? 2.550 0.090 0.883 1.00 97.65 10 A 1 ATOM 86 C CG . LEU A 1 10 ? 3.416 0.432 2.091 1.00 94.53 10 A 1 ATOM 87 C CD1 . LEU A 1 10 ? 2.610 1.166 3.150 1.00 92.93 10 A 1 ATOM 88 C CD2 . LEU A 1 10 ? 4.031 -0.827 2.671 1.00 92.83 10 A 1 ATOM 89 N N . LEU A 1 11 ? 2.690 -0.579 -2.191 1.00 98.20 11 A 1 ATOM 90 C CA . LEU A 1 11 ? 3.199 -1.408 -3.281 1.00 98.06 11 A 1 ATOM 91 C C . LEU A 1 11 ? 3.838 -0.547 -4.360 1.00 98.15 11 A 1 ATOM 92 O O . LEU A 1 11 ? 4.883 -0.902 -4.910 1.00 97.75 11 A 1 ATOM 93 C CB . LEU A 1 11 ? 2.064 -2.238 -3.884 1.00 97.69 11 A 1 ATOM 94 C CG . LEU A 1 11 ? 2.540 -3.453 -4.671 1.00 93.86 11 A 1 ATOM 95 C CD1 . LEU A 1 11 ? 2.490 -4.709 -3.798 1.00 91.54 11 A 1 ATOM 96 C CD2 . LEU A 1 11 ? 1.694 -3.651 -5.914 1.00 91.55 11 A 1 ATOM 97 N N . ALA A 1 12 ? 3.197 0.581 -4.654 1.00 98.16 12 A 1 ATOM 98 C CA . ALA A 1 12 ? 3.701 1.497 -5.671 1.00 98.11 12 A 1 ATOM 99 C C . ALA A 1 12 ? 5.056 2.068 -5.268 1.00 98.11 12 A 1 ATOM 100 O O . ALA A 1 12 ? 5.969 2.160 -6.092 1.00 97.41 12 A 1 ATOM 101 C CB . ALA A 1 12 ? 2.694 2.619 -5.904 1.00 97.79 12 A 1 ATOM 102 N N . VAL A 1 13 ? 5.178 2.447 -4.005 1.00 98.19 13 A 1 ATOM 103 C CA . VAL A 1 13 ? 6.425 3.005 -3.488 1.00 97.89 13 A 1 ATOM 104 C C . VAL A 1 13 ? 7.518 1.943 -3.457 1.00 97.88 13 A 1 ATOM 105 O O . VAL A 1 13 ? 8.673 2.216 -3.793 1.00 96.79 13 A 1 ATOM 106 C CB . VAL A 1 13 ? 6.217 3.598 -2.082 1.00 97.07 13 A 1 ATOM 107 C CG1 . VAL A 1 13 ? 7.527 4.137 -1.528 1.00 94.60 13 A 1 ATOM 108 C CG2 . VAL A 1 13 ? 5.177 4.706 -2.121 1.00 94.97 13 A 1 ATOM 109 N N . SER A 1 14 ? 7.139 0.747 -3.048 1.00 98.02 14 A 1 ATOM 110 C CA . SER A 1 14 ? 8.081 -0.366 -2.969 1.00 97.78 14 A 1 ATOM 111 C C . SER A 1 14 ? 8.571 -0.764 -4.357 1.00 97.38 14 A 1 ATOM 112 O O . SER A 1 14 ? 9.745 -1.093 -4.541 1.00 95.03 14 A 1 ATOM 113 C CB . SER A 1 14 ? 7.425 -1.562 -2.279 1.00 96.77 14 A 1 ATOM 114 O OG . SER A 1 14 ? 8.381 -2.538 -1.949 1.00 85.20 14 A 1 ATOM 115 N N . ALA A 1 15 ? 7.665 -0.734 -5.323 1.00 97.60 15 A 1 ATOM 116 C CA . ALA A 1 15 ? 8.002 -1.089 -6.701 1.00 97.04 15 A 1 ATOM 117 C C . ALA A 1 15 ? 8.925 -0.050 -7.325 1.00 96.73 15 A 1 ATOM 118 O O . ALA A 1 15 ? 9.817 -0.390 -8.104 1.00 94.63 15 A 1 ATOM 119 C CB . ALA A 1 15 ? 6.730 -1.234 -7.529 1.00 95.89 15 A 1 ATOM 120 N N . SER A 1 16 ? 8.697 1.213 -6.983 1.00 95.22 16 A 1 ATOM 121 C CA . SER A 1 16 ? 9.514 2.314 -7.493 1.00 95.06 16 A 1 ATOM 122 C C . SER A 1 16 ? 10.937 2.230 -6.958 1.00 94.03 16 A 1 ATOM 123 O O . SER A 1 16 ? 11.903 2.520 -7.667 1.00 87.57 16 A 1 ATOM 124 C CB . SER A 1 16 ? 8.881 3.652 -7.119 1.00 92.41 16 A 1 ATOM 125 O OG . SER A 1 16 ? 9.478 4.694 -7.849 1.00 82.12 16 A 1 ATOM 126 N N . GLY A 1 17 ? 11.037 1.818 -5.681 1.00 92.06 17 A 1 ATOM 127 C CA . GLY A 1 17 ? 12.348 1.692 -5.038 1.00 86.92 17 A 1 ATOM 128 C C . GLY A 1 17 ? 12.971 3.031 -4.766 1.00 81.38 17 A 1 ATOM 129 O O . GLY A 1 17 ? 12.745 3.577 -3.674 1.00 73.44 17 A 1 ATOM 130 O OXT . GLY A 1 17 ? 13.703 3.482 -5.640 1.00 80.76 17 A 1 #