# 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_spkb09961 # _entry.id spkb09961 # 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 H15 N4 O2" 175.209 ARG y ARGININE C(C[C@@H](C(=O)O)N)CNC(=[NH2+])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" "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 TRP 2 1 n ILE 3 1 n LEU 4 1 n VAL 5 1 n SER 6 1 n TRP 7 1 n LEU 8 1 n ALA 9 1 n LEU 10 1 n VAL 11 1 n ALA 12 1 n ARG 13 1 n LEU 14 1 n VAL 15 1 n ALA 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 @ 2025-07-05 09:03:21)" _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 96.23 _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 91.62 1 1 A TRP 2 2 94.60 1 2 A ILE 3 2 96.72 1 3 A LEU 4 2 97.17 1 4 A VAL 5 2 97.91 1 5 A SER 6 2 98.15 1 6 A TRP 7 2 96.83 1 7 A LEU 8 2 97.28 1 8 A ALA 9 2 98.60 1 9 A LEU 10 2 97.14 1 10 A VAL 11 2 98.14 1 11 A ALA 12 2 98.62 1 12 A ARG 13 2 93.39 1 13 A LEU 14 2 97.43 1 14 A VAL 15 2 97.38 1 15 A ALA 16 2 97.33 1 16 A GLY 17 2 90.49 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 TRP . 2 A 2 A 3 1 n ILE . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n VAL . 5 A 5 A 6 1 n SER . 6 A 6 A 7 1 n TRP . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n ALA . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n VAL . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n ARG . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n VAL . 15 A 15 A 16 1 n ALA . 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 ? -4.613 10.999 6.592 1.00 96.61 1 A 1 ATOM 2 C CA . MET A 1 1 ? -5.025 9.621 6.946 1.00 96.76 1 A 1 ATOM 3 C C . MET A 1 1 ? -3.889 8.622 6.708 1.00 97.22 1 A 1 ATOM 4 O O . MET A 1 1 ? -3.160 8.734 5.726 1.00 95.99 1 A 1 ATOM 5 C CB . MET A 1 1 ? -6.228 9.210 6.102 1.00 93.80 1 A 1 ATOM 6 C CG . MET A 1 1 ? -7.535 9.345 6.869 1.00 88.47 1 A 1 ATOM 7 S SD . MET A 1 1 ? -7.997 11.044 7.105 1.00 86.41 1 A 1 ATOM 8 C CE . MET A 1 1 ? -9.378 10.833 8.229 1.00 77.71 1 A 1 ATOM 9 N N . TRP A 1 2 ? -3.775 7.649 7.611 1.00 96.65 2 A 1 ATOM 10 C CA . TRP A 1 2 ? -2.736 6.621 7.504 1.00 97.44 2 A 1 ATOM 11 C C . TRP A 1 2 ? -3.223 5.451 6.647 1.00 98.02 2 A 1 ATOM 12 O O . TRP A 1 2 ? -2.421 4.669 6.140 1.00 97.52 2 A 1 ATOM 13 C CB . TRP A 1 2 ? -2.359 6.129 8.896 1.00 96.65 2 A 1 ATOM 14 C CG . TRP A 1 2 ? -3.526 5.524 9.636 1.00 94.52 2 A 1 ATOM 15 C CD1 . TRP A 1 2 ? -4.285 4.466 9.235 1.00 93.66 2 A 1 ATOM 16 C CD2 . TRP A 1 2 ? -4.065 5.931 10.910 1.00 94.60 2 A 1 ATOM 17 N NE1 . TRP A 1 2 ? -5.267 4.191 10.165 1.00 92.17 2 A 1 ATOM 18 C CE2 . TRP A 1 2 ? -5.146 5.079 11.206 1.00 94.02 2 A 1 ATOM 19 C CE3 . TRP A 1 2 ? -3.722 6.934 11.816 1.00 92.83 2 A 1 ATOM 20 C CZ2 . TRP A 1 2 ? -5.900 5.203 12.384 1.00 92.70 2 A 1 ATOM 21 C CZ3 . TRP A 1 2 ? -4.467 7.058 12.987 1.00 91.88 2 A 1 ATOM 22 C CH2 . TRP A 1 2 ? -5.543 6.199 13.262 1.00 91.73 2 A 1 ATOM 23 N N . ILE A 1 3 ? -4.521 5.304 6.519 1.00 98.39 3 A 1 ATOM 24 C CA . ILE A 1 3 ? -5.109 4.218 5.734 1.00 98.44 3 A 1 ATOM 25 C C . ILE A 1 3 ? -4.667 4.310 4.278 1.00 98.62 3 A 1 ATOM 26 O O . ILE A 1 3 ? -4.484 3.291 3.604 1.00 98.35 3 A 1 ATOM 27 C CB . ILE A 1 3 ? -6.644 4.252 5.820 1.00 98.01 3 A 1 ATOM 28 C CG1 . ILE A 1 3 ? -7.108 4.151 7.273 1.00 95.62 3 A 1 ATOM 29 C CG2 . ILE A 1 3 ? -7.236 3.092 5.014 1.00 95.22 3 A 1 ATOM 30 C CD1 . ILE A 1 3 ? -8.573 4.502 7.449 1.00 91.08 3 A 1 ATOM 31 N N . LEU A 1 4 ? -4.503 5.516 3.789 1.00 98.59 4 A 1 ATOM 32 C CA . LEU A 1 4 ? -4.083 5.726 2.408 1.00 98.61 4 A 1 ATOM 33 C C . LEU A 1 4 ? -2.700 5.125 2.173 1.00 98.67 4 A 1 ATOM 34 O O . LEU A 1 4 ? -2.434 4.546 1.122 1.00 98.52 4 A 1 ATOM 35 C CB . LEU A 1 4 ? -4.059 7.225 2.073 1.00 98.47 4 A 1 ATOM 36 C CG . LEU A 1 4 ? -5.444 7.883 2.007 1.00 96.27 4 A 1 ATOM 37 C CD1 . LEU A 1 4 ? -6.389 7.012 1.173 1.00 94.20 4 A 1 ATOM 38 C CD2 . LEU A 1 4 ? -6.017 8.059 3.402 1.00 94.02 4 A 1 ATOM 39 N N . VAL A 1 5 ? -1.826 5.273 3.148 1.00 98.64 5 A 1 ATOM 40 C CA . VAL A 1 5 ? -0.464 4.742 3.044 1.00 98.62 5 A 1 ATOM 41 C C . VAL A 1 5 ? -0.474 3.218 3.129 1.00 98.68 5 A 1 ATOM 42 O O . VAL A 1 5 ? 0.236 2.540 2.378 1.00 98.47 5 A 1 ATOM 43 C CB . VAL A 1 5 ? 0.425 5.320 4.154 1.00 98.27 5 A 1 ATOM 44 C CG1 . VAL A 1 5 ? 1.840 4.779 4.043 1.00 96.27 5 A 1 ATOM 45 C CG2 . VAL A 1 5 ? 0.437 6.841 4.076 1.00 96.40 5 A 1 ATOM 46 N N . SER A 1 6 ? -1.277 2.684 4.031 1.00 98.80 6 A 1 ATOM 47 C CA . SER A 1 6 ? -1.365 1.236 4.214 1.00 98.78 6 A 1 ATOM 48 C C . SER A 1 6 ? -1.993 0.562 3.001 1.00 98.84 6 A 1 ATOM 49 O O . SER A 1 6 ? -1.504 -0.462 2.529 1.00 98.69 6 A 1 ATOM 50 C CB . SER A 1 6 ? -2.188 0.916 5.459 1.00 98.56 6 A 1 ATOM 51 O OG . SER A 1 6 ? -1.472 1.250 6.627 1.00 95.22 6 A 1 ATOM 52 N N . TRP A 1 7 ? -3.078 1.139 2.510 1.00 98.72 7 A 1 ATOM 53 C CA . TRP A 1 7 ? -3.766 0.581 1.345 1.00 98.72 7 A 1 ATOM 54 C C . TRP A 1 7 ? -2.858 0.626 0.115 1.00 98.80 7 A 1 ATOM 55 O O . TRP A 1 7 ? -2.866 -0.285 -0.708 1.00 98.72 7 A 1 ATOM 56 C CB . TRP A 1 7 ? -5.062 1.355 1.092 1.00 98.61 7 A 1 ATOM 57 C CG . TRP A 1 7 ? -4.961 2.344 -0.019 1.00 97.71 7 A 1 ATOM 58 C CD1 . TRP A 1 7 ? -4.820 3.688 0.094 1.00 95.84 7 A 1 ATOM 59 C CD2 . TRP A 1 7 ? -4.972 2.052 -1.427 1.00 97.06 7 A 1 ATOM 60 N NE1 . TRP A 1 7 ? -4.747 4.253 -1.157 1.00 95.06 7 A 1 ATOM 61 C CE2 . TRP A 1 7 ? -4.835 3.274 -2.114 1.00 96.62 7 A 1 ATOM 62 C CE3 . TRP A 1 7 ? -5.083 0.873 -2.172 1.00 95.44 7 A 1 ATOM 63 C CZ2 . TRP A 1 7 ? -4.808 3.342 -3.506 1.00 95.82 7 A 1 ATOM 64 C CZ3 . TRP A 1 7 ? -5.057 0.947 -3.559 1.00 94.21 7 A 1 ATOM 65 C CH2 . TRP A 1 7 ? -4.921 2.171 -4.212 1.00 94.35 7 A 1 ATOM 66 N N . LEU A 1 8 ? -2.083 1.668 -0.002 1.00 98.74 8 A 1 ATOM 67 C CA . LEU A 1 8 ? -1.180 1.822 -1.142 1.00 98.72 8 A 1 ATOM 68 C C . LEU A 1 8 ? -0.127 0.725 -1.134 1.00 98.77 8 A 1 ATOM 69 O O . LEU A 1 8 ? 0.211 0.165 -2.180 1.00 98.70 8 A 1 ATOM 70 C CB . LEU A 1 8 ? -0.519 3.201 -1.085 1.00 98.59 8 A 1 ATOM 71 C CG . LEU A 1 8 ? -0.510 3.924 -2.429 1.00 96.51 8 A 1 ATOM 72 C CD1 . LEU A 1 8 ? -0.483 5.435 -2.217 1.00 93.86 8 A 1 ATOM 73 C CD2 . LEU A 1 8 ? 0.687 3.493 -3.253 1.00 94.37 8 A 1 ATOM 74 N N . ALA A 1 9 ? 0.401 0.415 0.033 1.00 98.67 9 A 1 ATOM 75 C CA . ALA A 1 9 ? 1.413 -0.630 0.168 1.00 98.64 9 A 1 ATOM 76 C C . ALA A 1 9 ? 0.825 -2.004 -0.140 1.00 98.72 9 A 1 ATOM 77 O O . ALA A 1 9 ? 1.490 -2.850 -0.737 1.00 98.54 9 A 1 ATOM 78 C CB . ALA A 1 9 ? 1.985 -0.612 1.578 1.00 98.43 9 A 1 ATOM 79 N N . LEU A 1 10 ? -0.419 -2.220 0.264 1.00 98.70 10 A 1 ATOM 80 C CA . LEU A 1 10 ? -1.092 -3.494 0.024 1.00 98.62 10 A 1 ATOM 81 C C . LEU A 1 10 ? -1.301 -3.722 -1.466 1.00 98.73 10 A 1 ATOM 82 O O . LEU A 1 10 ? -1.023 -4.803 -1.988 1.00 98.62 10 A 1 ATOM 83 C CB . LEU A 1 10 ? -2.429 -3.514 0.762 1.00 98.45 10 A 1 ATOM 84 C CG . LEU A 1 10 ? -2.980 -4.918 0.974 1.00 95.93 10 A 1 ATOM 85 C CD1 . LEU A 1 10 ? -3.823 -4.956 2.244 1.00 93.65 10 A 1 ATOM 86 C CD2 . LEU A 1 10 ? -3.811 -5.364 -0.206 1.00 94.41 10 A 1 ATOM 87 N N . VAL A 1 11 ? -1.801 -2.729 -2.152 1.00 98.67 11 A 1 ATOM 88 C CA . VAL A 1 11 ? -2.036 -2.829 -3.593 1.00 98.60 11 A 1 ATOM 89 C C . VAL A 1 11 ? -0.724 -2.982 -4.341 1.00 98.67 11 A 1 ATOM 90 O O . VAL A 1 11 ? -0.631 -3.747 -5.303 1.00 98.55 11 A 1 ATOM 91 C CB . VAL A 1 11 ? -2.790 -1.591 -4.097 1.00 98.31 11 A 1 ATOM 92 C CG1 . VAL A 1 11 ? -2.830 -1.549 -5.617 1.00 97.02 11 A 1 ATOM 93 C CG2 . VAL A 1 11 ? -4.198 -1.598 -3.532 1.00 97.19 11 A 1 ATOM 94 N N . ALA A 1 12 ? 0.284 -2.256 -3.918 1.00 98.72 12 A 1 ATOM 95 C CA . ALA A 1 12 ? 1.597 -2.325 -4.556 1.00 98.68 12 A 1 ATOM 96 C C . ALA A 1 12 ? 2.169 -3.735 -4.473 1.00 98.73 12 A 1 ATOM 97 O O . ALA A 1 12 ? 2.826 -4.197 -5.405 1.00 98.52 12 A 1 ATOM 98 C CB . ALA A 1 12 ? 2.548 -1.337 -3.897 1.00 98.47 12 A 1 ATOM 99 N N . ARG A 1 13 ? 1.910 -4.412 -3.365 1.00 98.78 13 A 1 ATOM 100 C CA . ARG A 1 13 ? 2.405 -5.775 -3.172 1.00 98.74 13 A 1 ATOM 101 C C . ARG A 1 13 ? 1.630 -6.763 -4.026 1.00 98.78 13 A 1 ATOM 102 O O . ARG A 1 13 ? 2.215 -7.658 -4.633 1.00 98.42 13 A 1 ATOM 103 C CB . ARG A 1 13 ? 2.289 -6.169 -1.703 1.00 98.47 13 A 1 ATOM 104 C CG . ARG A 1 13 ? 3.244 -5.389 -0.834 1.00 95.27 13 A 1 ATOM 105 C CD . ARG A 1 13 ? 3.388 -6.051 0.523 1.00 93.35 13 A 1 ATOM 106 N NE . ARG A 1 13 ? 4.334 -7.169 0.446 1.00 90.61 13 A 1 ATOM 107 C CZ . ARG A 1 13 ? 4.613 -7.961 1.477 1.00 87.93 13 A 1 ATOM 108 N NH1 . ARG A 1 13 ? 4.030 -7.792 2.651 1.00 83.67 13 A 1 ATOM 109 N NH2 . ARG A 1 13 ? 5.483 -8.949 1.321 1.00 83.29 13 A 1 ATOM 110 N N . LEU A 1 14 ? 0.311 -6.617 -4.078 1.00 98.70 14 A 1 ATOM 111 C CA . LEU A 1 14 ? -0.534 -7.506 -4.870 1.00 98.66 14 A 1 ATOM 112 C C . LEU A 1 14 ? -0.279 -7.325 -6.358 1.00 98.71 14 A 1 ATOM 113 O O . LEU A 1 14 ? -0.270 -8.292 -7.119 1.00 98.44 14 A 1 ATOM 114 C CB . LEU A 1 14 ? -2.003 -7.224 -4.563 1.00 98.51 14 A 1 ATOM 115 C CG . LEU A 1 14 ? -2.466 -7.823 -3.240 1.00 97.30 14 A 1 ATOM 116 C CD1 . LEU A 1 14 ? -3.812 -7.248 -2.837 1.00 94.74 14 A 1 ATOM 117 C CD2 . LEU A 1 14 ? -2.555 -9.336 -3.358 1.00 94.40 14 A 1 ATOM 118 N N . VAL A 1 15 ? -0.087 -6.099 -6.777 1.00 98.68 15 A 1 ATOM 119 C CA . VAL A 1 15 ? 0.169 -5.796 -8.184 1.00 98.57 15 A 1 ATOM 120 C C . VAL A 1 15 ? 1.561 -6.240 -8.592 1.00 98.58 15 A 1 ATOM 121 O O . VAL A 1 15 ? 1.733 -6.940 -9.595 1.00 98.12 15 A 1 ATOM 122 C CB . VAL A 1 15 ? 0.006 -4.293 -8.454 1.00 98.04 15 A 1 ATOM 123 C CG1 . VAL A 1 15 ? 0.424 -3.965 -9.879 1.00 94.50 15 A 1 ATOM 124 C CG2 . VAL A 1 15 ? -1.437 -3.880 -8.230 1.00 95.19 15 A 1 ATOM 125 N N . ALA A 1 16 ? 2.557 -5.828 -7.839 1.00 98.40 16 A 1 ATOM 126 C CA . ALA A 1 16 ? 3.946 -6.183 -8.136 1.00 97.99 16 A 1 ATOM 127 C C . ALA A 1 16 ? 4.319 -7.515 -7.506 1.00 97.70 16 A 1 ATOM 128 O O . ALA A 1 16 ? 4.788 -8.429 -8.192 1.00 95.42 16 A 1 ATOM 129 C CB . ALA A 1 16 ? 4.882 -5.082 -7.657 1.00 97.12 16 A 1 ATOM 130 N N . GLY A 1 17 ? 4.087 -7.602 -6.203 1.00 96.38 17 A 1 ATOM 131 C CA . GLY A 1 17 ? 4.391 -8.821 -5.466 1.00 93.03 17 A 1 ATOM 132 C C . GLY A 1 17 ? 5.778 -8.764 -4.860 1.00 89.92 17 A 1 ATOM 133 O O . GLY A 1 17 ? 6.736 -8.508 -5.589 1.00 83.73 17 A 1 ATOM 134 O OXT . GLY A 1 17 ? 5.888 -8.945 -3.638 1.00 89.38 17 A 1 #