# 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_spkb21876 # _entry.id spkb21876 # 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" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "L-PEPTIDE LINKING" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "PEPTIDE LINKING" "C6 H10 N3 O2" 156.162 HIS y HISTIDINE c1c([nH+]c[nH]1)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" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)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 THR 2 1 n LEU 3 1 n LEU 4 1 n PRO 5 1 n GLY 6 1 n LEU 7 1 n LEU 8 1 n PHE 9 1 n LEU 10 1 n THR 11 1 n TRP 12 1 n LEU 13 1 n HIS 14 1 n THR 15 1 n CYS 16 1 n LEU 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 @ 2025-07-03 13:39:52)" _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 93.25 _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 78.42 1 1 A THR 2 2 84.44 1 2 A LEU 3 2 86.84 1 3 A LEU 4 2 91.42 1 4 A PRO 5 2 95.34 1 5 A GLY 6 2 97.23 1 6 A LEU 7 2 94.96 1 7 A LEU 8 2 95.38 1 8 A PHE 9 2 96.40 1 9 A LEU 10 2 95.30 1 10 A THR 11 2 95.88 1 11 A TRP 12 2 95.26 1 12 A LEU 13 2 95.88 1 13 A HIS 14 2 93.77 1 14 A THR 15 2 96.53 1 15 A CYS 16 2 97.90 1 16 A LEU 17 2 96.15 1 17 A ALA 18 2 91.15 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 THR . 2 A 2 A 3 1 n LEU . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n PRO . 5 A 5 A 6 1 n GLY . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n PHE . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n THR . 11 A 11 A 12 1 n TRP . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n HIS . 14 A 14 A 15 1 n THR . 15 A 15 A 16 1 n CYS . 16 A 16 A 17 1 n LEU . 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 ? -8.799 13.705 4.356 1.00 86.15 1 A 1 ATOM 2 C CA . MET A 1 1 ? -8.286 12.718 3.397 1.00 85.84 1 A 1 ATOM 3 C C . MET A 1 1 ? -6.919 12.203 3.836 1.00 87.11 1 A 1 ATOM 4 O O . MET A 1 1 ? -5.964 12.965 3.931 1.00 83.22 1 A 1 ATOM 5 C CB . MET A 1 1 ? -8.170 13.324 2.006 1.00 80.54 1 A 1 ATOM 6 C CG . MET A 1 1 ? -7.466 14.674 1.990 1.00 73.89 1 A 1 ATOM 7 S SD . MET A 1 1 ? -7.448 15.382 0.351 1.00 69.97 1 A 1 ATOM 8 C CE . MET A 1 1 ? -7.213 17.102 0.755 1.00 60.62 1 A 1 ATOM 9 N N . THR A 1 2 ? -6.849 10.912 4.089 1.00 86.52 2 A 1 ATOM 10 C CA . THR A 1 2 ? -5.612 10.281 4.515 1.00 88.99 2 A 1 ATOM 11 C C . THR A 1 2 ? -5.226 9.164 3.552 1.00 89.92 2 A 1 ATOM 12 O O . THR A 1 2 ? -6.034 8.284 3.253 1.00 87.13 2 A 1 ATOM 13 C CB . THR A 1 2 ? -5.746 9.702 5.923 1.00 84.94 2 A 1 ATOM 14 O OG1 . THR A 1 2 ? -6.892 8.862 6.007 1.00 77.09 2 A 1 ATOM 15 C CG2 . THR A 1 2 ? -5.862 10.802 6.952 1.00 76.52 2 A 1 ATOM 16 N N . LEU A 1 3 ? -4.003 9.194 3.068 1.00 89.96 3 A 1 ATOM 17 C CA . LEU A 1 3 ? -3.507 8.190 2.134 1.00 91.20 3 A 1 ATOM 18 C C . LEU A 1 3 ? -2.704 7.109 2.849 1.00 93.29 3 A 1 ATOM 19 O O . LEU A 1 3 ? -1.983 6.337 2.212 1.00 91.31 3 A 1 ATOM 20 C CB . LEU A 1 3 ? -2.652 8.855 1.058 1.00 88.63 3 A 1 ATOM 21 C CG . LEU A 1 3 ? -3.419 9.762 0.100 1.00 83.81 3 A 1 ATOM 22 C CD1 . LEU A 1 3 ? -2.453 10.499 -0.809 1.00 80.22 3 A 1 ATOM 23 C CD2 . LEU A 1 3 ? -4.406 8.951 -0.724 1.00 76.29 3 A 1 ATOM 24 N N . LEU A 1 4 ? -2.847 7.061 4.164 1.00 94.05 4 A 1 ATOM 25 C CA . LEU A 1 4 ? -2.169 6.046 4.966 1.00 94.53 4 A 1 ATOM 26 C C . LEU A 1 4 ? -2.644 4.637 4.614 1.00 95.79 4 A 1 ATOM 27 O O . LEU A 1 4 ? -1.819 3.735 4.436 1.00 95.54 4 A 1 ATOM 28 C CB . LEU A 1 4 ? -2.366 6.327 6.456 1.00 92.98 4 A 1 ATOM 29 C CG . LEU A 1 4 ? -1.437 7.387 7.033 1.00 88.83 4 A 1 ATOM 30 C CD1 . LEU A 1 4 ? -1.829 7.716 8.460 1.00 85.79 4 A 1 ATOM 31 C CD2 . LEU A 1 4 ? 0.006 6.919 6.974 1.00 83.86 4 A 1 ATOM 32 N N . PRO A 1 5 ? -3.962 4.430 4.505 1.00 96.06 5 A 1 ATOM 33 C CA . PRO A 1 5 ? -4.480 3.109 4.124 1.00 96.53 5 A 1 ATOM 34 C C . PRO A 1 5 ? -4.006 2.699 2.743 1.00 97.21 5 A 1 ATOM 35 O O . PRO A 1 5 ? -3.812 1.515 2.469 1.00 96.37 5 A 1 ATOM 36 C CB . PRO A 1 5 ? -6.002 3.297 4.139 1.00 94.54 5 A 1 ATOM 37 C CG . PRO A 1 5 ? -6.233 4.502 4.980 1.00 91.90 5 A 1 ATOM 38 C CD . PRO A 1 5 ? -5.032 5.381 4.763 1.00 94.78 5 A 1 ATOM 39 N N . GLY A 1 6 ? -3.837 3.682 1.873 1.00 96.84 6 A 1 ATOM 40 C CA . GLY A 1 6 ? -3.352 3.426 0.527 1.00 97.20 6 A 1 ATOM 41 C C . GLY A 1 6 ? -1.929 2.909 0.524 1.00 97.70 6 A 1 ATOM 42 O O . GLY A 1 6 ? -1.562 2.071 -0.297 1.00 97.17 6 A 1 ATOM 43 N N . LEU A 1 7 ? -1.137 3.409 1.458 1.00 97.22 7 A 1 ATOM 44 C CA . LEU A 1 7 ? 0.248 2.977 1.604 1.00 97.15 7 A 1 ATOM 45 C C . LEU A 1 7 ? 0.311 1.507 1.986 1.00 97.48 7 A 1 ATOM 46 O O . LEU A 1 7 ? 1.145 0.757 1.479 1.00 96.96 7 A 1 ATOM 47 C CB . LEU A 1 7 ? 0.949 3.822 2.664 1.00 96.81 7 A 1 ATOM 48 C CG . LEU A 1 7 ? 2.418 3.490 2.886 1.00 93.72 7 A 1 ATOM 49 C CD1 . LEU A 1 7 ? 3.225 3.789 1.637 1.00 90.21 7 A 1 ATOM 50 C CD2 . LEU A 1 7 ? 2.963 4.259 4.069 1.00 90.10 7 A 1 ATOM 51 N N . LEU A 1 8 ? -0.584 1.101 2.872 1.00 97.07 8 A 1 ATOM 52 C CA . LEU A 1 8 ? -0.659 -0.285 3.313 1.00 97.03 8 A 1 ATOM 53 C C . LEU A 1 8 ? -1.044 -1.192 2.155 1.00 97.37 8 A 1 ATOM 54 O O . LEU A 1 8 ? -0.525 -2.299 2.018 1.00 97.31 8 A 1 ATOM 55 C CB . LEU A 1 8 ? -1.673 -0.423 4.447 1.00 96.80 8 A 1 ATOM 56 C CG . LEU A 1 8 ? -1.618 -1.748 5.195 1.00 93.94 8 A 1 ATOM 57 C CD1 . LEU A 1 8 ? -0.338 -1.853 6.005 1.00 91.73 8 A 1 ATOM 58 C CD2 . LEU A 1 8 ? -2.825 -1.903 6.095 1.00 91.81 8 A 1 ATOM 59 N N . PHE A 1 9 ? -1.952 -0.704 1.326 1.00 97.35 9 A 1 ATOM 60 C CA . PHE A 1 9 ? -2.397 -1.435 0.147 1.00 97.41 9 A 1 ATOM 61 C C . PHE A 1 9 ? -1.239 -1.639 -0.820 1.00 97.75 9 A 1 ATOM 62 O O . PHE A 1 9 ? -1.097 -2.703 -1.419 1.00 97.70 9 A 1 ATOM 63 C CB . PHE A 1 9 ? -3.518 -0.672 -0.542 1.00 97.21 9 A 1 ATOM 64 C CG . PHE A 1 9 ? -4.024 -1.357 -1.784 1.00 96.73 9 A 1 ATOM 65 C CD1 . PHE A 1 9 ? -3.470 -1.074 -3.018 1.00 95.53 9 A 1 ATOM 66 C CD2 . PHE A 1 9 ? -5.043 -2.285 -1.697 1.00 95.57 9 A 1 ATOM 67 C CE1 . PHE A 1 9 ? -3.922 -1.710 -4.157 1.00 95.03 9 A 1 ATOM 68 C CE2 . PHE A 1 9 ? -5.498 -2.924 -2.838 1.00 94.77 9 A 1 ATOM 69 C CZ . PHE A 1 9 ? -4.936 -2.638 -4.065 1.00 95.33 9 A 1 ATOM 70 N N . LEU A 1 10 ? -0.426 -0.605 -0.956 1.00 97.13 10 A 1 ATOM 71 C CA . LEU A 1 10 ? 0.729 -0.669 -1.841 1.00 97.02 10 A 1 ATOM 72 C C . LEU A 1 10 ? 1.737 -1.689 -1.333 1.00 97.37 10 A 1 ATOM 73 O O . LEU A 1 10 ? 2.365 -2.405 -2.114 1.00 97.19 10 A 1 ATOM 74 C CB . LEU A 1 10 ? 1.372 0.713 -1.934 1.00 96.83 10 A 1 ATOM 75 C CG . LEU A 1 10 ? 1.568 1.221 -3.356 1.00 93.52 10 A 1 ATOM 76 C CD1 . LEU A 1 10 ? 2.051 2.663 -3.341 1.00 91.52 10 A 1 ATOM 77 C CD2 . LEU A 1 10 ? 2.534 0.343 -4.119 1.00 91.83 10 A 1 ATOM 78 N N . THR A 1 11 ? 1.877 -1.757 -0.022 1.00 97.47 11 A 1 ATOM 79 C CA . THR A 1 11 ? 2.794 -2.691 0.613 1.00 97.34 11 A 1 ATOM 80 C C . THR A 1 11 ? 2.372 -4.130 0.356 1.00 97.60 11 A 1 ATOM 81 O O . THR A 1 11 ? 3.198 -4.968 -0.010 1.00 97.16 11 A 1 ATOM 82 C CB . THR A 1 11 ? 2.864 -2.446 2.122 1.00 96.91 11 A 1 ATOM 83 O OG1 . THR A 1 11 ? 3.155 -1.076 2.376 1.00 92.99 11 A 1 ATOM 84 C CG2 . THR A 1 11 ? 3.940 -3.304 2.760 1.00 91.72 11 A 1 ATOM 85 N N . TRP A 1 12 ? 1.101 -4.408 0.552 1.00 97.27 12 A 1 ATOM 86 C CA . TRP A 1 12 ? 0.577 -5.752 0.336 1.00 97.37 12 A 1 ATOM 87 C C . TRP A 1 12 ? 0.627 -6.110 -1.149 1.00 97.67 12 A 1 ATOM 88 O O . TRP A 1 12 ? 0.905 -7.251 -1.511 1.00 97.30 12 A 1 ATOM 89 C CB . TRP A 1 12 ? -0.845 -5.873 0.893 1.00 97.28 12 A 1 ATOM 90 C CG . TRP A 1 12 ? -1.928 -5.813 -0.137 1.00 96.46 12 A 1 ATOM 91 C CD1 . TRP A 1 12 ? -2.641 -4.721 -0.496 1.00 94.44 12 A 1 ATOM 92 C CD2 . TRP A 1 12 ? -2.409 -6.900 -0.944 1.00 95.34 12 A 1 ATOM 93 N NE1 . TRP A 1 12 ? -3.535 -5.061 -1.484 1.00 93.25 12 A 1 ATOM 94 C CE2 . TRP A 1 12 ? -3.418 -6.393 -1.778 1.00 94.67 12 A 1 ATOM 95 C CE3 . TRP A 1 12 ? -2.082 -8.248 -1.042 1.00 94.27 12 A 1 ATOM 96 C CZ2 . TRP A 1 12 ? -4.099 -7.188 -2.695 1.00 94.37 12 A 1 ATOM 97 C CZ3 . TRP A 1 12 ? -2.763 -9.047 -1.955 1.00 92.08 12 A 1 ATOM 98 C CH2 . TRP A 1 12 ? -3.762 -8.510 -2.774 1.00 91.93 12 A 1 ATOM 99 N N . LEU A 1 13 ? 0.375 -5.128 -1.991 1.00 97.55 13 A 1 ATOM 100 C CA . LEU A 1 13 ? 0.417 -5.326 -3.432 1.00 97.46 13 A 1 ATOM 101 C C . LEU A 1 13 ? 1.830 -5.669 -3.879 1.00 97.67 13 A 1 ATOM 102 O O . LEU A 1 13 ? 2.033 -6.553 -4.708 1.00 97.39 13 A 1 ATOM 103 C CB . LEU A 1 13 ? -0.065 -4.066 -4.141 1.00 97.30 13 A 1 ATOM 104 C CG . LEU A 1 13 ? -0.171 -4.179 -5.651 1.00 94.96 13 A 1 ATOM 105 C CD1 . LEU A 1 13 ? -1.289 -5.136 -6.039 1.00 92.34 13 A 1 ATOM 106 C CD2 . LEU A 1 13 ? -0.407 -2.816 -6.267 1.00 92.36 13 A 1 ATOM 107 N N . HIS A 1 14 ? 2.795 -4.963 -3.323 1.00 97.54 14 A 1 ATOM 108 C CA . HIS A 1 14 ? 4.200 -5.200 -3.631 1.00 97.49 14 A 1 ATOM 109 C C . HIS A 1 14 ? 4.621 -6.595 -3.203 1.00 97.90 14 A 1 ATOM 110 O O . HIS A 1 14 ? 5.420 -7.248 -3.871 1.00 97.72 14 A 1 ATOM 111 C CB . HIS A 1 14 ? 5.066 -4.163 -2.925 1.00 97.04 14 A 1 ATOM 112 C CG . HIS A 1 14 ? 6.517 -4.271 -3.275 1.00 95.09 14 A 1 ATOM 113 N ND1 . HIS A 1 14 ? 7.038 -3.855 -4.473 1.00 86.48 14 A 1 ATOM 114 C CD2 . HIS A 1 14 ? 7.556 -4.758 -2.562 1.00 89.01 14 A 1 ATOM 115 C CE1 . HIS A 1 14 ? 8.340 -4.081 -4.474 1.00 89.04 14 A 1 ATOM 116 N NE2 . HIS A 1 14 ? 8.688 -4.632 -3.329 1.00 90.39 14 A 1 ATOM 117 N N . THR A 1 15 ? 4.077 -7.051 -2.089 1.00 98.00 15 A 1 ATOM 118 C CA . THR A 1 15 ? 4.377 -8.378 -1.568 1.00 97.91 15 A 1 ATOM 119 C C . THR A 1 15 ? 3.791 -9.462 -2.463 1.00 98.08 15 A 1 ATOM 120 O O . THR A 1 15 ? 4.411 -10.509 -2.668 1.00 97.44 15 A 1 ATOM 121 C CB . THR A 1 15 ? 3.829 -8.538 -0.148 1.00 97.26 15 A 1 ATOM 122 O OG1 . THR A 1 15 ? 4.284 -7.456 0.664 1.00 94.24 15 A 1 ATOM 123 C CG2 . THR A 1 15 ? 4.290 -9.841 0.467 1.00 92.78 15 A 1 ATOM 124 N N . CYS A 1 16 ? 2.610 -9.202 -3.000 1.00 98.42 16 A 1 ATOM 125 C CA . CYS A 1 16 ? 1.929 -10.166 -3.849 1.00 98.35 16 A 1 ATOM 126 C C . CYS A 1 16 ? 2.600 -10.302 -5.213 1.00 98.39 16 A 1 ATOM 127 O O . CYS A 1 16 ? 2.714 -11.402 -5.742 1.00 97.74 16 A 1 ATOM 128 C CB . CYS A 1 16 ? 0.466 -9.767 -4.026 1.00 97.96 16 A 1 ATOM 129 S SG . CYS A 1 16 ? -0.506 -10.044 -2.539 1.00 96.55 16 A 1 ATOM 130 N N . LEU A 1 17 ? 3.019 -9.179 -5.779 1.00 97.63 17 A 1 ATOM 131 C CA . LEU A 1 17 ? 3.661 -9.196 -7.085 1.00 97.56 17 A 1 ATOM 132 C C . LEU A 1 17 ? 5.138 -9.564 -6.984 1.00 97.77 17 A 1 ATOM 133 O O . LEU A 1 17 ? 5.754 -9.959 -7.980 1.00 97.35 17 A 1 ATOM 134 C CB . LEU A 1 17 ? 3.492 -7.833 -7.766 1.00 97.06 17 A 1 ATOM 135 C CG . LEU A 1 17 ? 4.236 -6.676 -7.103 1.00 95.82 17 A 1 ATOM 136 C CD1 . LEU A 1 17 ? 5.642 -6.533 -7.670 1.00 93.48 17 A 1 ATOM 137 C CD2 . LEU A 1 17 ? 3.469 -5.380 -7.299 1.00 92.52 17 A 1 ATOM 138 N N . ALA A 1 18 ? 5.700 -9.429 -5.793 1.00 95.87 18 A 1 ATOM 139 C CA . ALA A 1 18 ? 7.105 -9.744 -5.552 1.00 94.79 18 A 1 ATOM 140 C C . ALA A 1 18 ? 7.300 -11.251 -5.440 1.00 93.22 18 A 1 ATOM 141 O O . ALA A 1 18 ? 8.303 -11.771 -5.950 1.00 89.94 18 A 1 ATOM 142 C CB . ALA A 1 18 ? 7.598 -9.040 -4.286 1.00 91.21 18 A 1 ATOM 143 O OXT . ALA A 1 18 ? 6.458 -11.913 -4.841 1.00 81.89 18 A 1 #