# 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_spkb22405 # _entry.id spkb22405 # 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" "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" "C6 H15 N2 O2" 147.195 LYS y LYSINE C(CC[NH3+])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" "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" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[C@@H](C(=O)O)N)O ? "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 GLY 3 1 n ALA 4 1 n PHE 5 1 n LEU 6 1 n LEU 7 1 n TYR 8 1 n VAL 9 1 n SER 10 1 n MET 11 1 n LYS 12 1 n MET 13 1 n GLY 14 1 n GLY 15 1 n THR 16 1 n ALA 17 1 n GLY 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 @ 2025-07-03 00:55:02)" _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 89.60 _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 85.66 1 1 A TRP 2 2 88.42 1 2 A GLY 3 2 95.05 1 3 A ALA 4 2 96.19 1 4 A PHE 5 2 93.00 1 5 A LEU 6 2 93.03 1 6 A LEU 7 2 92.27 1 7 A TYR 8 2 93.06 1 8 A VAL 9 2 94.59 1 9 A SER 10 2 92.70 1 10 A MET 11 2 89.41 1 11 A LYS 12 2 88.46 1 12 A MET 13 2 87.67 1 13 A GLY 14 2 91.71 1 14 A GLY 15 2 88.47 1 15 A THR 16 2 83.30 1 16 A ALA 17 2 80.53 1 17 A GLY 18 2 74.45 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 TRP . 2 A 2 A 3 1 n GLY . 3 A 3 A 4 1 n ALA . 4 A 4 A 5 1 n PHE . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n TYR . 8 A 8 A 9 1 n VAL . 9 A 9 A 10 1 n SER . 10 A 10 A 11 1 n MET . 11 A 11 A 12 1 n LYS . 12 A 12 A 13 1 n MET . 13 A 13 A 14 1 n GLY . 14 A 14 A 15 1 n GLY . 15 A 15 A 16 1 n THR . 16 A 16 A 17 1 n ALA . 17 A 17 A 18 1 n GLY . 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 ? -5.554 6.249 12.369 1.00 91.81 1 A 1 ATOM 2 C CA . MET A 1 1 ? -4.924 7.105 11.352 1.00 93.21 1 A 1 ATOM 3 C C . MET A 1 1 ? -3.932 6.323 10.475 1.00 93.49 1 A 1 ATOM 4 O O . MET A 1 1 ? -3.063 6.906 9.834 1.00 90.35 1 A 1 ATOM 5 C CB . MET A 1 1 ? -4.181 8.260 12.029 1.00 87.98 1 A 1 ATOM 6 C CG . MET A 1 1 ? -5.092 9.175 12.821 1.00 81.69 1 A 1 ATOM 7 S SD . MET A 1 1 ? -4.179 10.499 13.634 1.00 78.45 1 A 1 ATOM 8 C CE . MET A 1 1 ? -5.535 11.383 14.390 1.00 68.34 1 A 1 ATOM 9 N N . TRP A 1 2 ? -4.053 5.004 10.437 1.00 92.86 2 A 1 ATOM 10 C CA . TRP A 1 2 ? -3.125 4.163 9.678 1.00 94.03 2 A 1 ATOM 11 C C . TRP A 1 2 ? -3.840 3.116 8.825 1.00 95.12 2 A 1 ATOM 12 O O . TRP A 1 2 ? -3.242 2.128 8.401 1.00 93.82 2 A 1 ATOM 13 C CB . TRP A 1 2 ? -2.156 3.472 10.640 1.00 91.99 2 A 1 ATOM 14 C CG . TRP A 1 2 ? -1.268 4.422 11.381 1.00 89.48 2 A 1 ATOM 15 C CD1 . TRP A 1 2 ? -1.390 4.815 12.671 1.00 87.15 2 A 1 ATOM 16 C CD2 . TRP A 1 2 ? -0.105 5.112 10.867 1.00 88.83 2 A 1 ATOM 17 N NE1 . TRP A 1 2 ? -0.384 5.697 13.000 1.00 85.37 2 A 1 ATOM 18 C CE2 . TRP A 1 2 ? 0.417 5.897 11.906 1.00 87.50 2 A 1 ATOM 19 C CE3 . TRP A 1 2 ? 0.527 5.117 9.623 1.00 85.00 2 A 1 ATOM 20 C CZ2 . TRP A 1 2 ? 1.552 6.686 11.735 1.00 84.88 2 A 1 ATOM 21 C CZ3 . TRP A 1 2 ? 1.655 5.905 9.459 1.00 81.00 2 A 1 ATOM 22 C CH2 . TRP A 1 2 ? 2.157 6.681 10.506 1.00 80.86 2 A 1 ATOM 23 N N . GLY A 1 3 ? -5.122 3.333 8.563 1.00 94.21 3 A 1 ATOM 24 C CA . GLY A 1 3 ? -5.896 2.388 7.761 1.00 94.83 3 A 1 ATOM 25 C C . GLY A 1 3 ? -5.548 2.457 6.288 1.00 95.98 3 A 1 ATOM 26 O O . GLY A 1 3 ? -5.152 1.462 5.680 1.00 95.17 3 A 1 ATOM 27 N N . ALA A 1 4 ? -5.683 3.650 5.703 1.00 96.50 4 A 1 ATOM 28 C CA . ALA A 1 4 ? -5.395 3.856 4.286 1.00 96.66 4 A 1 ATOM 29 C C . ALA A 1 4 ? -3.896 3.824 4.003 1.00 96.75 4 A 1 ATOM 30 O O . ALA A 1 4 ? -3.473 3.342 2.952 1.00 95.32 4 A 1 ATOM 31 C CB . ALA A 1 4 ? -5.988 5.182 3.831 1.00 95.72 4 A 1 ATOM 32 N N . PHE A 1 5 ? -3.086 4.329 4.944 1.00 95.99 5 A 1 ATOM 33 C CA . PHE A 1 5 ? -1.632 4.366 4.782 1.00 95.69 5 A 1 ATOM 34 C C . PHE A 1 5 ? -1.056 2.962 4.634 1.00 96.08 5 A 1 ATOM 35 O O . PHE A 1 5 ? -0.319 2.681 3.691 1.00 95.14 5 A 1 ATOM 36 C CB . PHE A 1 5 ? -0.984 5.065 5.974 1.00 95.07 5 A 1 ATOM 37 C CG . PHE A 1 5 ? 0.519 5.023 5.918 1.00 93.52 5 A 1 ATOM 38 C CD1 . PHE A 1 5 ? 1.210 5.796 5.000 1.00 91.25 5 A 1 ATOM 39 C CD2 . PHE A 1 5 ? 1.230 4.196 6.775 1.00 91.06 5 A 1 ATOM 40 C CE1 . PHE A 1 5 ? 2.595 5.750 4.938 1.00 90.06 5 A 1 ATOM 41 C CE2 . PHE A 1 5 ? 2.615 4.144 6.716 1.00 89.48 5 A 1 ATOM 42 C CZ . PHE A 1 5 ? 3.298 4.922 5.796 1.00 89.65 5 A 1 ATOM 43 N N . LEU A 1 6 ? -1.386 2.071 5.567 1.00 95.37 6 A 1 ATOM 44 C CA . LEU A 1 6 ? -0.878 0.699 5.533 1.00 95.19 6 A 1 ATOM 45 C C . LEU A 1 6 ? -1.337 -0.016 4.268 1.00 95.65 6 A 1 ATOM 46 O O . LEU A 1 6 ? -0.584 -0.783 3.666 1.00 95.41 6 A 1 ATOM 47 C CB . LEU A 1 6 ? -1.361 -0.061 6.772 1.00 94.78 6 A 1 ATOM 48 C CG . LEU A 1 6 ? -0.703 0.378 8.077 1.00 90.92 6 A 1 ATOM 49 C CD1 . LEU A 1 6 ? -1.386 -0.294 9.264 1.00 88.59 6 A 1 ATOM 50 C CD2 . LEU A 1 6 ? 0.779 0.035 8.072 1.00 88.30 6 A 1 ATOM 51 N N . LEU A 1 7 ? -2.569 0.232 3.857 1.00 94.74 7 A 1 ATOM 52 C CA . LEU A 1 7 ? -3.113 -0.363 2.637 1.00 94.42 7 A 1 ATOM 53 C C . LEU A 1 7 ? -2.342 0.130 1.415 1.00 94.92 7 A 1 ATOM 54 O O . LEU A 1 7 ? -2.013 -0.651 0.521 1.00 94.57 7 A 1 ATOM 55 C CB . LEU A 1 7 ? -4.592 -0.005 2.503 1.00 94.14 7 A 1 ATOM 56 C CG . LEU A 1 7 ? -5.279 -0.638 1.297 1.00 89.91 7 A 1 ATOM 57 C CD1 . LEU A 1 7 ? -5.295 -2.157 1.420 1.00 87.71 7 A 1 ATOM 58 C CD2 . LEU A 1 7 ? -6.703 -0.115 1.175 1.00 87.75 7 A 1 ATOM 59 N N . TYR A 1 8 ? -2.058 1.427 1.384 1.00 94.56 8 A 1 ATOM 60 C CA . TYR A 1 8 ? -1.299 2.044 0.296 1.00 94.51 8 A 1 ATOM 61 C C . TYR A 1 8 ? 0.086 1.419 0.178 1.00 94.91 8 A 1 ATOM 62 O O . TYR A 1 8 ? 0.533 1.064 -0.915 1.00 94.58 8 A 1 ATOM 63 C CB . TYR A 1 8 ? -1.180 3.549 0.546 1.00 94.49 8 A 1 ATOM 64 C CG . TYR A 1 8 ? -0.021 4.183 -0.194 1.00 94.09 8 A 1 ATOM 65 C CD1 . TYR A 1 8 ? -0.090 4.409 -1.565 1.00 91.63 8 A 1 ATOM 66 C CD2 . TYR A 1 8 ? 1.135 4.541 0.484 1.00 92.06 8 A 1 ATOM 67 C CE1 . TYR A 1 8 ? 0.976 4.986 -2.235 1.00 91.22 8 A 1 ATOM 68 C CE2 . TYR A 1 8 ? 2.202 5.112 -0.190 1.00 91.45 8 A 1 ATOM 69 C CZ . TYR A 1 8 ? 2.120 5.332 -1.544 1.00 92.07 8 A 1 ATOM 70 O OH . TYR A 1 8 ? 3.181 5.894 -2.209 1.00 91.12 8 A 1 ATOM 71 N N . VAL A 1 9 ? 0.776 1.284 1.310 1.00 95.46 9 A 1 ATOM 72 C CA . VAL A 1 9 ? 2.116 0.698 1.343 1.00 95.29 9 A 1 ATOM 73 C C . VAL A 1 9 ? 2.079 -0.753 0.869 1.00 95.62 9 A 1 ATOM 74 O O . VAL A 1 9 ? 2.953 -1.200 0.125 1.00 95.11 9 A 1 ATOM 75 C CB . VAL A 1 9 ? 2.714 0.774 2.762 1.00 94.80 9 A 1 ATOM 76 C CG1 . VAL A 1 9 ? 4.052 0.049 2.827 1.00 92.89 9 A 1 ATOM 77 C CG2 . VAL A 1 9 ? 2.896 2.223 3.184 1.00 92.93 9 A 1 ATOM 78 N N . SER A 1 10 ? 1.060 -1.491 1.289 1.00 94.96 10 A 1 ATOM 79 C CA . SER A 1 10 ? 0.902 -2.891 0.903 1.00 94.52 10 A 1 ATOM 80 C C . SER A 1 10 ? 0.757 -3.027 -0.612 1.00 95.10 10 A 1 ATOM 81 O O . SER A 1 10 ? 1.364 -3.903 -1.227 1.00 94.36 10 A 1 ATOM 82 C CB . SER A 1 10 ? -0.323 -3.489 1.593 1.00 93.48 10 A 1 ATOM 83 O OG . SER A 1 10 ? -0.429 -4.863 1.294 1.00 83.81 10 A 1 ATOM 84 N N . MET A 1 11 ? -0.051 -2.161 -1.208 1.00 95.01 11 A 1 ATOM 85 C CA . MET A 1 11 ? -0.261 -2.175 -2.659 1.00 94.55 11 A 1 ATOM 86 C C . MET A 1 11 ? 1.003 -1.764 -3.407 1.00 95.04 11 A 1 ATOM 87 O O . MET A 1 11 ? 1.305 -2.304 -4.469 1.00 93.43 11 A 1 ATOM 88 C CB . MET A 1 11 ? -1.407 -1.230 -3.030 1.00 93.70 11 A 1 ATOM 89 C CG . MET A 1 11 ? -2.765 -1.735 -2.573 1.00 89.30 11 A 1 ATOM 90 S SD . MET A 1 11 ? -4.093 -0.628 -3.062 1.00 81.77 11 A 1 ATOM 91 C CE . MET A 1 11 ? -5.494 -1.543 -2.451 1.00 72.46 11 A 1 ATOM 92 N N . LYS A 1 12 ? 1.718 -0.803 -2.842 1.00 95.58 12 A 1 ATOM 93 C CA . LYS A 1 12 ? 2.949 -0.310 -3.454 1.00 95.48 12 A 1 ATOM 94 C C . LYS A 1 12 ? 4.022 -1.396 -3.475 1.00 95.26 12 A 1 ATOM 95 O O . LYS A 1 12 ? 4.776 -1.510 -4.442 1.00 93.69 12 A 1 ATOM 96 C CB . LYS A 1 12 ? 3.459 0.910 -2.690 1.00 94.54 12 A 1 ATOM 97 C CG . LYS A 1 12 ? 4.597 1.623 -3.398 1.00 88.60 12 A 1 ATOM 98 C CD . LYS A 1 12 ? 4.957 2.917 -2.682 1.00 84.93 12 A 1 ATOM 99 C CE . LYS A 1 12 ? 6.043 3.670 -3.439 1.00 77.80 12 A 1 ATOM 100 N NZ . LYS A 1 12 ? 7.327 2.916 -3.454 1.00 70.23 12 A 1 ATOM 101 N N . MET A 1 13 ? 4.085 -2.199 -2.425 1.00 94.96 13 A 1 ATOM 102 C CA . MET A 1 13 ? 5.071 -3.277 -2.326 1.00 94.38 13 A 1 ATOM 103 C C . MET A 1 13 ? 4.475 -4.621 -2.744 1.00 94.18 13 A 1 ATOM 104 O O . MET A 1 13 ? 4.231 -5.491 -1.915 1.00 89.13 13 A 1 ATOM 105 C CB . MET A 1 13 ? 5.594 -3.365 -0.885 1.00 92.31 13 A 1 ATOM 106 C CG . MET A 1 13 ? 6.399 -2.156 -0.474 1.00 86.00 13 A 1 ATOM 107 S SD . MET A 1 13 ? 7.330 -2.406 1.042 1.00 80.13 13 A 1 ATOM 108 C CE . MET A 1 13 ? 5.998 -2.596 2.209 1.00 70.26 13 A 1 ATOM 109 N N . GLY A 1 14 ? 4.255 -4.799 -4.042 1.00 93.38 14 A 1 ATOM 110 C CA . GLY A 1 14 ? 3.702 -6.045 -4.550 1.00 92.27 14 A 1 ATOM 111 C C . GLY A 1 14 ? 2.666 -5.810 -5.611 1.00 92.55 14 A 1 ATOM 112 O O . GLY A 1 14 ? 2.992 -5.706 -6.795 1.00 88.64 14 A 1 ATOM 113 N N . GLY A 1 15 ? 1.413 -5.733 -5.196 1.00 90.28 15 A 1 ATOM 114 C CA . GLY A 1 15 ? 0.333 -5.489 -6.136 1.00 88.20 15 A 1 ATOM 115 C C . GLY A 1 15 ? -1.013 -5.906 -5.589 1.00 89.17 15 A 1 ATOM 116 O O . GLY A 1 15 ? -1.915 -6.230 -6.352 1.00 86.22 15 A 1 ATOM 117 N N . THR A 1 16 ? -1.131 -5.904 -4.259 1.00 89.23 16 A 1 ATOM 118 C CA . THR A 1 16 ? -2.376 -6.295 -3.592 1.00 87.24 16 A 1 ATOM 119 C C . THR A 1 16 ? -2.631 -7.795 -3.730 1.00 86.60 16 A 1 ATOM 120 O O . THR A 1 16 ? -2.928 -8.284 -4.817 1.00 81.10 16 A 1 ATOM 121 C CB . THR A 1 16 ? -3.575 -5.536 -4.162 1.00 84.54 16 A 1 ATOM 122 O OG1 . THR A 1 16 ? -3.287 -4.137 -4.201 1.00 78.00 16 A 1 ATOM 123 C CG2 . THR A 1 16 ? -4.813 -5.775 -3.325 1.00 76.42 16 A 1 ATOM 124 N N . ALA A 1 17 ? -2.523 -8.514 -2.601 1.00 83.28 17 A 1 ATOM 125 C CA . ALA A 1 17 ? -2.760 -9.960 -2.603 1.00 81.32 17 A 1 ATOM 126 C C . ALA A 1 17 ? -1.987 -10.657 -3.716 1.00 82.63 17 A 1 ATOM 127 O O . ALA A 1 17 ? -2.572 -11.321 -4.577 1.00 77.30 17 A 1 ATOM 128 C CB . ALA A 1 17 ? -4.258 -10.228 -2.735 1.00 78.12 17 A 1 ATOM 129 N N . GLY A 1 18 ? -0.660 -10.492 -3.683 1.00 82.21 18 A 1 ATOM 130 C CA . GLY A 1 18 ? 0.197 -11.087 -4.710 1.00 77.09 18 A 1 ATOM 131 C C . GLY A 1 18 ? 1.255 -11.955 -4.102 1.00 74.80 18 A 1 ATOM 132 O O . GLY A 1 18 ? 1.097 -13.186 -4.110 1.00 68.04 18 A 1 ATOM 133 O OXT . GLY A 1 18 ? 2.262 -11.415 -3.601 1.00 70.10 18 A 1 #