# 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_spkb10771 # _entry.id spkb10771 # 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 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "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 LEU y LEUCINE CC(C)C[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" "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" "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 TYR 1 1 n GLY 2 1 n LEU 3 1 n PHE 4 1 n VAL 5 1 n CYS 6 1 n LEU 7 1 n LEU 8 1 n LEU 9 1 n TRP 10 1 n GLY 11 1 n GLY 12 1 n SER 13 1 n GLU 14 1 n LEU 15 1 n CYS 16 1 n CYS 17 1 n PRO 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 @ 2025-07-05 01:43:31)" _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 80.71 _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 TYR 1 2 71.98 1 1 A GLY 2 2 80.01 1 2 A LEU 3 2 80.96 1 3 A PHE 4 2 81.31 1 4 A VAL 5 2 85.56 1 5 A CYS 6 2 85.54 1 6 A LEU 7 2 86.65 1 7 A LEU 8 2 87.09 1 8 A LEU 9 2 86.75 1 9 A TRP 10 2 78.36 1 10 A GLY 11 2 83.31 1 11 A GLY 12 2 82.13 1 12 A SER 13 2 78.27 1 13 A GLU 14 2 75.78 1 14 A LEU 15 2 81.58 1 15 A CYS 16 2 79.70 1 16 A CYS 17 2 77.89 1 17 A PRO 18 2 78.33 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 TYR . 1 A 1 A 2 1 n GLY . 2 A 2 A 3 1 n LEU . 3 A 3 A 4 1 n PHE . 4 A 4 A 5 1 n VAL . 5 A 5 A 6 1 n CYS . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n TRP . 10 A 10 A 11 1 n GLY . 11 A 11 A 12 1 n GLY . 12 A 12 A 13 1 n SER . 13 A 13 A 14 1 n GLU . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n CYS . 16 A 16 A 17 1 n CYS . 17 A 17 A 18 1 n PRO . 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 . TYR A 1 1 ? -7.607 1.430 13.149 1.00 72.88 1 A 1 ATOM 2 C CA . TYR A 1 1 ? -7.081 1.855 11.842 1.00 77.46 1 A 1 ATOM 3 C C . TYR A 1 1 ? -6.320 0.723 11.143 1.00 78.03 1 A 1 ATOM 4 O O . TYR A 1 1 ? -5.809 -0.183 11.792 1.00 72.26 1 A 1 ATOM 5 C CB . TYR A 1 1 ? -6.122 3.040 12.011 1.00 74.09 1 A 1 ATOM 6 C CG . TYR A 1 1 ? -6.652 4.087 12.966 1.00 71.23 1 A 1 ATOM 7 C CD1 . TYR A 1 1 ? -6.416 3.987 14.330 1.00 71.31 1 A 1 ATOM 8 C CD2 . TYR A 1 1 ? -7.395 5.164 12.497 1.00 70.85 1 A 1 ATOM 9 C CE1 . TYR A 1 1 ? -6.909 4.935 15.211 1.00 69.82 1 A 1 ATOM 10 C CE2 . TYR A 1 1 ? -7.892 6.118 13.374 1.00 69.14 1 A 1 ATOM 11 C CZ . TYR A 1 1 ? -7.643 6.000 14.728 1.00 71.33 1 A 1 ATOM 12 O OH . TYR A 1 1 ? -8.138 6.939 15.595 1.00 65.40 1 A 1 ATOM 13 N N . GLY A 1 2 ? -6.257 0.748 9.837 1.00 78.49 2 A 1 ATOM 14 C CA . GLY A 1 2 ? -5.530 -0.267 9.072 1.00 80.56 2 A 1 ATOM 15 C C . GLY A 1 2 ? -4.609 0.368 8.043 1.00 81.81 2 A 1 ATOM 16 O O . GLY A 1 2 ? -4.923 0.367 6.855 1.00 79.18 2 A 1 ATOM 17 N N . LEU A 1 3 ? -3.519 0.895 8.508 1.00 82.47 3 A 1 ATOM 18 C CA . LEU A 1 3 ? -2.568 1.584 7.637 1.00 84.47 3 A 1 ATOM 19 C C . LEU A 1 3 ? -1.275 0.797 7.440 1.00 86.05 3 A 1 ATOM 20 O O . LEU A 1 3 ? -0.361 1.276 6.784 1.00 84.44 3 A 1 ATOM 21 C CB . LEU A 1 3 ? -2.243 2.957 8.219 1.00 82.01 3 A 1 ATOM 22 C CG . LEU A 1 3 ? -2.295 4.088 7.198 1.00 78.02 3 A 1 ATOM 23 C CD1 . LEU A 1 3 ? -3.699 4.677 7.145 1.00 75.78 3 A 1 ATOM 24 C CD2 . LEU A 1 3 ? -1.286 5.162 7.554 1.00 74.47 3 A 1 ATOM 25 N N . PHE A 1 4 ? -1.220 -0.391 8.017 1.00 82.89 4 A 1 ATOM 26 C CA . PHE A 1 4 ? -0.015 -1.215 7.913 1.00 84.41 4 A 1 ATOM 27 C C . PHE A 1 4 ? 0.261 -1.617 6.465 1.00 86.34 4 A 1 ATOM 28 O O . PHE A 1 4 ? 1.260 -1.207 5.881 1.00 84.89 4 A 1 ATOM 29 C CB . PHE A 1 4 ? -0.162 -2.465 8.785 1.00 82.76 4 A 1 ATOM 30 C CG . PHE A 1 4 ? 1.128 -3.229 8.918 1.00 81.22 4 A 1 ATOM 31 C CD1 . PHE A 1 4 ? 2.177 -2.709 9.652 1.00 79.34 4 A 1 ATOM 32 C CD2 . PHE A 1 4 ? 1.278 -4.462 8.307 1.00 79.02 4 A 1 ATOM 33 C CE1 . PHE A 1 4 ? 3.365 -3.405 9.778 1.00 78.10 4 A 1 ATOM 34 C CE2 . PHE A 1 4 ? 2.469 -5.165 8.425 1.00 76.87 4 A 1 ATOM 35 C CZ . PHE A 1 4 ? 3.515 -4.639 9.163 1.00 78.53 4 A 1 ATOM 36 N N . VAL A 1 5 ? -0.643 -2.429 5.893 1.00 86.26 5 A 1 ATOM 37 C CA . VAL A 1 5 ? -0.476 -2.879 4.509 1.00 86.98 5 A 1 ATOM 38 C C . VAL A 1 5 ? -0.564 -1.718 3.530 1.00 87.52 5 A 1 ATOM 39 O O . VAL A 1 5 ? 0.164 -1.669 2.538 1.00 86.73 5 A 1 ATOM 40 C CB . VAL A 1 5 ? -1.530 -3.942 4.148 1.00 85.61 5 A 1 ATOM 41 C CG1 . VAL A 1 5 ? -1.101 -5.310 4.623 1.00 81.94 5 A 1 ATOM 42 C CG2 . VAL A 1 5 ? -2.889 -3.573 4.723 1.00 83.86 5 A 1 ATOM 43 N N . CYS A 1 6 ? -1.479 -0.795 3.816 1.00 86.75 6 A 1 ATOM 44 C CA . CYS A 1 6 ? -1.654 0.376 2.956 1.00 86.83 6 A 1 ATOM 45 C C . CYS A 1 6 ? -0.385 1.223 2.932 1.00 87.44 6 A 1 ATOM 46 O O . CYS A 1 6 ? -0.035 1.810 1.915 1.00 84.59 6 A 1 ATOM 47 C CB . CYS A 1 6 ? -2.840 1.201 3.446 1.00 84.90 6 A 1 ATOM 48 S SG . CYS A 1 6 ? -3.847 1.875 2.097 1.00 82.75 6 A 1 ATOM 49 N N . LEU A 1 7 ? 0.290 1.272 4.066 1.00 87.87 7 A 1 ATOM 50 C CA . LEU A 1 7 ? 1.525 2.047 4.166 1.00 88.47 7 A 1 ATOM 51 C C . LEU A 1 7 ? 2.577 1.503 3.206 1.00 89.65 7 A 1 ATOM 52 O O . LEU A 1 7 ? 3.334 2.261 2.602 1.00 88.30 7 A 1 ATOM 53 C CB . LEU A 1 7 ? 2.053 1.993 5.599 1.00 87.07 7 A 1 ATOM 54 C CG . LEU A 1 7 ? 2.941 3.172 5.979 1.00 85.31 7 A 1 ATOM 55 C CD1 . LEU A 1 7 ? 2.097 4.415 6.219 1.00 83.41 7 A 1 ATOM 56 C CD2 . LEU A 1 7 ? 3.755 2.841 7.214 1.00 83.14 7 A 1 ATOM 57 N N . LEU A 1 8 ? 2.595 0.180 3.055 1.00 88.59 8 A 1 ATOM 58 C CA . LEU A 1 8 ? 3.552 -0.464 2.157 1.00 89.01 8 A 1 ATOM 59 C C . LEU A 1 8 ? 3.270 -0.082 0.711 1.00 90.11 8 A 1 ATOM 60 O O . LEU A 1 8 ? 4.195 0.175 -0.064 1.00 88.80 8 A 1 ATOM 61 C CB . LEU A 1 8 ? 3.475 -1.982 2.324 1.00 87.82 8 A 1 ATOM 62 C CG . LEU A 1 8 ? 4.313 -2.530 3.478 1.00 85.92 8 A 1 ATOM 63 C CD1 . LEU A 1 8 ? 3.775 -3.876 3.940 1.00 83.69 8 A 1 ATOM 64 C CD2 . LEU A 1 8 ? 5.764 -2.675 3.031 1.00 82.79 8 A 1 ATOM 65 N N . LEU A 1 9 ? 2.001 -0.056 0.363 1.00 89.40 9 A 1 ATOM 66 C CA . LEU A 1 9 ? 1.585 0.320 -0.988 1.00 89.03 9 A 1 ATOM 67 C C . LEU A 1 9 ? 2.013 1.747 -1.300 1.00 89.73 9 A 1 ATOM 68 O O . LEU A 1 9 ? 2.586 2.024 -2.354 1.00 88.73 9 A 1 ATOM 69 C CB . LEU A 1 9 ? 0.067 0.190 -1.129 1.00 87.75 9 A 1 ATOM 70 C CG . LEU A 1 9 ? -0.560 1.051 -2.226 1.00 85.15 9 A 1 ATOM 71 C CD1 . LEU A 1 9 ? -0.201 0.511 -3.605 1.00 82.62 9 A 1 ATOM 72 C CD2 . LEU A 1 9 ? -2.070 1.085 -2.063 1.00 81.55 9 A 1 ATOM 73 N N . TRP A 1 10 ? 1.723 2.635 -0.369 1.00 84.78 10 A 1 ATOM 74 C CA . TRP A 1 10 ? 2.096 4.036 -0.547 1.00 84.30 10 A 1 ATOM 75 C C . TRP A 1 10 ? 3.608 4.199 -0.580 1.00 85.06 10 A 1 ATOM 76 O O . TRP A 1 10 ? 4.126 5.127 -1.201 1.00 82.86 10 A 1 ATOM 77 C CB . TRP A 1 10 ? 1.500 4.875 0.579 1.00 82.93 10 A 1 ATOM 78 C CG . TRP A 1 10 ? 0.160 5.430 0.232 1.00 79.22 10 A 1 ATOM 79 C CD1 . TRP A 1 10 ? -0.980 4.725 0.031 1.00 77.50 10 A 1 ATOM 80 C CD2 . TRP A 1 10 ? -0.176 6.812 0.030 1.00 79.20 10 A 1 ATOM 81 N NE1 . TRP A 1 10 ? -2.007 5.576 -0.289 1.00 73.86 10 A 1 ATOM 82 C CE2 . TRP A 1 10 ? -1.548 6.865 -0.295 1.00 75.90 10 A 1 ATOM 83 C CE3 . TRP A 1 10 ? 0.550 8.005 0.090 1.00 74.48 10 A 1 ATOM 84 C CZ2 . TRP A 1 10 ? -2.196 8.071 -0.553 1.00 72.15 10 A 1 ATOM 85 C CZ3 . TRP A 1 10 ? -0.093 9.205 -0.163 1.00 72.72 10 A 1 ATOM 86 C CH2 . TRP A 1 10 ? -1.456 9.234 -0.483 1.00 72.12 10 A 1 ATOM 87 N N . GLY A 1 11 ? 4.295 3.286 0.082 1.00 84.03 11 A 1 ATOM 88 C CA . GLY A 1 11 ? 5.753 3.311 0.105 1.00 83.26 11 A 1 ATOM 89 C C . GLY A 1 11 ? 6.359 2.815 -1.191 1.00 84.62 11 A 1 ATOM 90 O O . GLY A 1 11 ? 7.450 3.237 -1.580 1.00 81.32 11 A 1 ATOM 91 N N . GLY A 1 12 ? 5.655 1.920 -1.869 1.00 82.11 12 A 1 ATOM 92 C CA . GLY A 1 12 ? 6.136 1.375 -3.132 1.00 81.72 12 A 1 ATOM 93 C C . GLY A 1 12 ? 5.651 -0.037 -3.405 1.00 84.02 12 A 1 ATOM 94 O O . GLY A 1 12 ? 6.266 -0.768 -4.180 1.00 80.66 12 A 1 ATOM 95 N N . SER A 1 13 ? 4.551 -0.441 -2.786 1.00 79.54 13 A 1 ATOM 96 C CA . SER A 1 13 ? 3.991 -1.776 -2.966 1.00 80.60 13 A 1 ATOM 97 C C . SER A 1 13 ? 2.586 -1.698 -3.561 1.00 81.39 13 A 1 ATOM 98 O O . SER A 1 13 ? 1.629 -1.375 -2.866 1.00 78.21 13 A 1 ATOM 99 C CB . SER A 1 13 ? 3.965 -2.519 -1.631 1.00 78.13 13 A 1 ATOM 100 O OG . SER A 1 13 ? 5.249 -3.011 -1.301 1.00 71.77 13 A 1 ATOM 101 N N . GLU A 1 14 ? 2.478 -1.994 -4.844 1.00 80.59 14 A 1 ATOM 102 C CA . GLU A 1 14 ? 1.186 -1.936 -5.539 1.00 82.04 14 A 1 ATOM 103 C C . GLU A 1 14 ? 0.279 -3.099 -5.151 1.00 83.56 14 A 1 ATOM 104 O O . GLU A 1 14 ? -0.934 -3.018 -5.314 1.00 80.46 14 A 1 ATOM 105 C CB . GLU A 1 14 ? 1.408 -1.959 -7.050 1.00 79.29 14 A 1 ATOM 106 C CG . GLU A 1 14 ? 2.054 -0.690 -7.563 1.00 72.93 14 A 1 ATOM 107 C CD . GLU A 1 14 ? 2.171 -0.688 -9.071 1.00 71.38 14 A 1 ATOM 108 O OE1 . GLU A 1 14 ? 1.147 -0.487 -9.743 1.00 64.34 14 A 1 ATOM 109 O OE2 . GLU A 1 14 ? 3.280 -0.896 -9.572 1.00 67.42 14 A 1 ATOM 110 N N . LEU A 1 15 ? 0.853 -4.180 -4.665 1.00 85.24 15 A 1 ATOM 111 C CA . LEU A 1 15 ? 0.084 -5.347 -4.249 1.00 85.30 15 A 1 ATOM 112 C C . LEU A 1 15 ? -0.672 -5.085 -2.955 1.00 86.57 15 A 1 ATOM 113 O O . LEU A 1 15 ? -1.783 -5.572 -2.770 1.00 83.21 15 A 1 ATOM 114 C CB . LEU A 1 15 ? 1.005 -6.552 -4.079 1.00 83.68 15 A 1 ATOM 115 C CG . LEU A 1 15 ? 1.156 -7.404 -5.327 1.00 78.80 15 A 1 ATOM 116 C CD1 . LEU A 1 15 ? 2.316 -6.911 -6.189 1.00 76.10 15 A 1 ATOM 117 C CD2 . LEU A 1 15 ? 1.364 -8.858 -4.951 1.00 73.72 15 A 1 ATOM 118 N N . CYS A 1 16 ? -0.078 -4.319 -2.072 1.00 83.05 16 A 1 ATOM 119 C CA . CYS A 1 16 ? -0.709 -3.988 -0.798 1.00 82.24 16 A 1 ATOM 120 C C . CYS A 1 16 ? -1.756 -2.892 -0.970 1.00 83.26 16 A 1 ATOM 121 O O . CYS A 1 16 ? -1.585 -1.982 -1.775 1.00 78.49 16 A 1 ATOM 122 C CB . CYS A 1 16 ? 0.347 -3.531 0.206 1.00 79.36 16 A 1 ATOM 123 S SG . CYS A 1 16 ? 0.993 -4.876 1.207 1.00 71.79 16 A 1 ATOM 124 N N . CYS A 1 17 ? -2.815 -2.999 -0.190 1.00 80.22 17 A 1 ATOM 125 C CA . CYS A 1 17 ? -3.894 -2.005 -0.229 1.00 79.82 17 A 1 ATOM 126 C C . CYS A 1 17 ? -4.326 -1.665 -1.657 1.00 80.57 17 A 1 ATOM 127 O O . CYS A 1 17 ? -4.181 -0.528 -2.102 1.00 76.93 17 A 1 ATOM 128 C CB . CYS A 1 17 ? -3.434 -0.727 0.478 1.00 77.63 17 A 1 ATOM 129 S SG . CYS A 1 17 ? -4.810 0.321 0.986 1.00 72.19 17 A 1 ATOM 130 N N . PRO A 1 18 ? -4.873 -2.655 -2.376 1.00 82.26 18 A 1 ATOM 131 C CA . PRO A 1 18 ? -5.283 -2.429 -3.769 1.00 82.73 18 A 1 ATOM 132 C C . PRO A 1 18 ? -6.574 -1.610 -3.883 1.00 81.22 18 A 1 ATOM 133 O O . PRO A 1 18 ? -7.353 -1.579 -2.927 1.00 76.20 18 A 1 ATOM 134 C CB . PRO A 1 18 ? -5.492 -3.847 -4.300 1.00 75.42 18 A 1 ATOM 135 C CG . PRO A 1 18 ? -5.849 -4.643 -3.092 1.00 75.05 18 A 1 ATOM 136 C CD . PRO A 1 18 ? -5.144 -4.003 -1.911 1.00 79.50 18 A 1 ATOM 137 O OXT . PRO A 1 18 ? -6.818 -0.984 -4.923 1.00 74.23 18 A 1 #