# 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_spkb44077 # _entry.id spkb44077 # 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" "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" "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" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)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 LYS 4 1 n LEU 5 1 n LEU 6 1 n LEU 7 1 n ILE 8 1 n VAL 9 1 n LEU 10 1 n PRO 11 1 n TRP 12 1 n LEU 13 1 n LEU 14 1 n VAL 15 1 n CYS 16 # _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 @ 2025-07-02 15:54:32)" _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 91.34 _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 84.32 1 1 A GLU 2 2 84.98 1 2 A TRP 3 2 89.09 1 3 A LYS 4 2 88.58 1 4 A LEU 5 2 91.36 1 5 A LEU 6 2 91.84 1 6 A LEU 7 2 93.45 1 7 A ILE 8 2 95.19 1 8 A VAL 9 2 95.26 1 9 A LEU 10 2 95.13 1 10 A PRO 11 2 95.96 1 11 A TRP 12 2 91.76 1 12 A LEU 13 2 95.06 1 13 A LEU 14 2 94.54 1 14 A VAL 15 2 92.32 1 15 A CYS 16 2 85.65 1 16 # _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 LYS . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n ILE . 8 A 8 A 9 1 n VAL . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n PRO . 11 A 11 A 12 1 n TRP . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n VAL . 15 A 15 A 16 1 n CYS . 16 A 16 # _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 ? -7.182 6.536 6.422 1.00 89.19 1 A 1 ATOM 2 C CA . MET A 1 1 ? -6.762 5.596 5.371 1.00 90.57 1 A 1 ATOM 3 C C . MET A 1 1 ? -7.903 4.670 4.967 1.00 91.37 1 A 1 ATOM 4 O O . MET A 1 1 ? -8.655 4.187 5.809 1.00 90.13 1 A 1 ATOM 5 C CB . MET A 1 1 ? -5.580 4.759 5.841 1.00 87.77 1 A 1 ATOM 6 C CG . MET A 1 1 ? -5.900 3.901 7.061 1.00 81.83 1 A 1 ATOM 7 S SD . MET A 1 1 ? -4.431 3.232 7.841 1.00 75.26 1 A 1 ATOM 8 C CE . MET A 1 1 ? -4.727 3.687 9.530 1.00 68.41 1 A 1 ATOM 9 N N . GLU A 1 2 ? -8.036 4.444 3.686 1.00 92.66 2 A 1 ATOM 10 C CA . GLU A 1 2 ? -9.091 3.584 3.168 1.00 93.58 2 A 1 ATOM 11 C C . GLU A 1 2 ? -8.519 2.526 2.222 1.00 94.73 2 A 1 ATOM 12 O O . GLU A 1 2 ? -7.317 2.272 2.223 1.00 93.60 2 A 1 ATOM 13 C CB . GLU A 1 2 ? -10.158 4.438 2.478 1.00 90.54 2 A 1 ATOM 14 C CG . GLU A 1 2 ? -9.614 5.561 1.633 1.00 79.72 2 A 1 ATOM 15 C CD . GLU A 1 2 ? -9.170 6.760 2.441 1.00 77.54 2 A 1 ATOM 16 O OE1 . GLU A 1 2 ? -9.316 6.749 3.672 1.00 70.36 2 A 1 ATOM 17 O OE2 . GLU A 1 2 ? -8.658 7.704 1.826 1.00 72.06 2 A 1 ATOM 18 N N . TRP A 1 3 ? -9.380 1.907 1.430 1.00 93.91 3 A 1 ATOM 19 C CA . TRP A 1 3 ? -8.961 0.842 0.520 1.00 94.42 3 A 1 ATOM 20 C C . TRP A 1 3 ? -7.909 1.315 -0.478 1.00 95.22 3 A 1 ATOM 21 O O . TRP A 1 3 ? -7.011 0.552 -0.835 1.00 94.25 3 A 1 ATOM 22 C CB . TRP A 1 3 ? -10.177 0.276 -0.215 1.00 93.22 3 A 1 ATOM 23 C CG . TRP A 1 3 ? -10.809 1.245 -1.170 1.00 90.58 3 A 1 ATOM 24 C CD1 . TRP A 1 3 ? -11.788 2.134 -0.895 1.00 87.91 3 A 1 ATOM 25 C CD2 . TRP A 1 3 ? -10.493 1.410 -2.552 1.00 89.63 3 A 1 ATOM 26 N NE1 . TRP A 1 3 ? -12.101 2.858 -2.019 1.00 86.12 3 A 1 ATOM 27 C CE2 . TRP A 1 3 ? -11.318 2.430 -3.058 1.00 87.94 3 A 1 ATOM 28 C CE3 . TRP A 1 3 ? -9.587 0.793 -3.419 1.00 84.28 3 A 1 ATOM 29 C CZ2 . TRP A 1 3 ? -11.264 2.842 -4.382 1.00 84.56 3 A 1 ATOM 30 C CZ3 . TRP A 1 3 ? -9.534 1.205 -4.735 1.00 83.25 3 A 1 ATOM 31 C CH2 . TRP A 1 3 ? -10.365 2.221 -5.212 1.00 81.98 3 A 1 ATOM 32 N N . LYS A 1 4 ? -8.014 2.548 -0.912 1.00 94.11 4 A 1 ATOM 33 C CA . LYS A 1 4 ? -7.052 3.106 -1.862 1.00 95.05 4 A 1 ATOM 34 C C . LYS A 1 4 ? -5.653 3.183 -1.259 1.00 95.88 4 A 1 ATOM 35 O O . LYS A 1 4 ? -4.662 2.979 -1.951 1.00 95.57 4 A 1 ATOM 36 C CB . LYS A 1 4 ? -7.505 4.495 -2.323 1.00 94.46 4 A 1 ATOM 37 C CG . LYS A 1 4 ? -7.660 5.492 -1.187 1.00 87.30 4 A 1 ATOM 38 C CD . LYS A 1 4 ? -7.621 6.922 -1.695 1.00 84.77 4 A 1 ATOM 39 C CE . LYS A 1 4 ? -8.832 7.261 -2.529 1.00 78.34 4 A 1 ATOM 40 N NZ . LYS A 1 4 ? -8.800 8.667 -2.972 1.00 71.72 4 A 1 ATOM 41 N N . LEU A 1 5 ? -5.578 3.464 0.022 1.00 93.97 5 A 1 ATOM 42 C CA . LEU A 1 5 ? -4.305 3.532 0.732 1.00 94.35 5 A 1 ATOM 43 C C . LEU A 1 5 ? -3.670 2.152 0.839 1.00 95.28 5 A 1 ATOM 44 O O . LEU A 1 5 ? -2.451 2.007 0.770 1.00 94.76 5 A 1 ATOM 45 C CB . LEU A 1 5 ? -4.515 4.128 2.130 1.00 93.55 5 A 1 ATOM 46 C CG . LEU A 1 5 ? -3.887 5.497 2.374 1.00 86.82 5 A 1 ATOM 47 C CD1 . LEU A 1 5 ? -2.378 5.419 2.244 1.00 85.39 5 A 1 ATOM 48 C CD2 . LEU A 1 5 ? -4.460 6.519 1.418 1.00 86.77 5 A 1 ATOM 49 N N . LEU A 1 6 ? -4.500 1.158 1.009 1.00 95.12 6 A 1 ATOM 50 C CA . LEU A 1 6 ? -4.025 -0.216 1.107 1.00 95.25 6 A 1 ATOM 51 C C . LEU A 1 6 ? -3.388 -0.669 -0.206 1.00 96.16 6 A 1 ATOM 52 O O . LEU A 1 6 ? -2.413 -1.420 -0.202 1.00 96.00 6 A 1 ATOM 53 C CB . LEU A 1 6 ? -5.188 -1.143 1.470 1.00 94.65 6 A 1 ATOM 54 C CG . LEU A 1 6 ? -5.677 -1.020 2.915 1.00 86.78 6 A 1 ATOM 55 C CD1 . LEU A 1 6 ? -7.053 -1.635 3.069 1.00 84.80 6 A 1 ATOM 56 C CD2 . LEU A 1 6 ? -4.694 -1.700 3.859 1.00 85.94 6 A 1 ATOM 57 N N . LEU A 1 7 ? -3.924 -0.196 -1.313 1.00 95.78 7 A 1 ATOM 58 C CA . LEU A 1 7 ? -3.404 -0.549 -2.629 1.00 96.31 7 A 1 ATOM 59 C C . LEU A 1 7 ? -2.092 0.172 -2.927 1.00 96.73 7 A 1 ATOM 60 O O . LEU A 1 7 ? -1.313 -0.272 -3.768 1.00 96.46 7 A 1 ATOM 61 C CB . LEU A 1 7 ? -4.436 -0.214 -3.702 1.00 95.90 7 A 1 ATOM 62 C CG . LEU A 1 7 ? -5.585 -1.214 -3.820 1.00 89.08 7 A 1 ATOM 63 C CD1 . LEU A 1 7 ? -6.703 -0.639 -4.664 1.00 88.28 7 A 1 ATOM 64 C CD2 . LEU A 1 7 ? -5.080 -2.518 -4.422 1.00 89.05 7 A 1 ATOM 65 N N . ILE A 1 8 ? -1.863 1.266 -2.257 1.00 96.58 8 A 1 ATOM 66 C CA . ILE A 1 8 ? -0.643 2.041 -2.442 1.00 96.45 8 A 1 ATOM 67 C C . ILE A 1 8 ? 0.489 1.522 -1.560 1.00 96.71 8 A 1 ATOM 68 O O . ILE A 1 8 ? 1.637 1.430 -1.997 1.00 96.16 8 A 1 ATOM 69 C CB . ILE A 1 8 ? -0.903 3.534 -2.147 1.00 96.19 8 A 1 ATOM 70 C CG1 . ILE A 1 8 ? -1.837 4.139 -3.190 1.00 94.56 8 A 1 ATOM 71 C CG2 . ILE A 1 8 ? 0.415 4.306 -2.121 1.00 94.07 8 A 1 ATOM 72 C CD1 . ILE A 1 8 ? -2.425 5.462 -2.765 1.00 90.83 8 A 1 ATOM 73 N N . VAL A 1 9 ? 0.164 1.211 -0.336 1.00 96.26 9 A 1 ATOM 74 C CA . VAL A 1 9 ? 1.158 0.725 0.616 1.00 96.29 9 A 1 ATOM 75 C C . VAL A 1 9 ? 1.602 -0.700 0.293 1.00 96.65 9 A 1 ATOM 76 O O . VAL A 1 9 ? 2.761 -1.059 0.520 1.00 96.21 9 A 1 ATOM 77 C CB . VAL A 1 9 ? 0.614 0.797 2.059 1.00 95.48 9 A 1 ATOM 78 C CG1 . VAL A 1 9 ? 1.647 0.325 3.060 1.00 92.98 9 A 1 ATOM 79 C CG2 . VAL A 1 9 ? 0.185 2.211 2.395 1.00 92.96 9 A 1 ATOM 80 N N . LEU A 1 10 ? 0.696 -1.487 -0.229 1.00 96.59 10 A 1 ATOM 81 C CA . LEU A 1 10 ? 0.990 -2.875 -0.572 1.00 96.62 10 A 1 ATOM 82 C C . LEU A 1 10 ? 2.143 -2.998 -1.573 1.00 96.91 10 A 1 ATOM 83 O O . LEU A 1 10 ? 3.180 -3.580 -1.250 1.00 96.49 10 A 1 ATOM 84 C CB . LEU A 1 10 ? -0.268 -3.569 -1.102 1.00 96.18 10 A 1 ATOM 85 C CG . LEU A 1 10 ? -0.595 -4.892 -0.414 1.00 93.85 10 A 1 ATOM 86 C CD1 . LEU A 1 10 ? -1.177 -4.657 0.965 1.00 92.00 10 A 1 ATOM 87 C CD2 . LEU A 1 10 ? -1.549 -5.698 -1.271 1.00 92.41 10 A 1 ATOM 88 N N . PRO A 1 11 ? 1.988 -2.463 -2.781 1.00 96.66 11 A 1 ATOM 89 C CA . PRO A 1 11 ? 3.059 -2.540 -3.782 1.00 96.27 11 A 1 ATOM 90 C C . PRO A 1 11 ? 4.276 -1.714 -3.404 1.00 96.52 11 A 1 ATOM 91 O O . PRO A 1 11 ? 5.393 -2.026 -3.810 1.00 95.59 11 A 1 ATOM 92 C CB . PRO A 1 11 ? 2.395 -1.985 -5.044 1.00 95.43 11 A 1 ATOM 93 C CG . PRO A 1 11 ? 1.304 -1.118 -4.541 1.00 94.89 11 A 1 ATOM 94 C CD . PRO A 1 11 ? 0.813 -1.753 -3.276 1.00 96.37 11 A 1 ATOM 95 N N . TRP A 1 12 ? 4.072 -0.663 -2.630 1.00 95.96 12 A 1 ATOM 96 C CA . TRP A 1 12 ? 5.161 0.200 -2.192 1.00 95.79 12 A 1 ATOM 97 C C . TRP A 1 12 ? 6.152 -0.584 -1.336 1.00 96.07 12 A 1 ATOM 98 O O . TRP A 1 12 ? 7.358 -0.515 -1.554 1.00 94.36 12 A 1 ATOM 99 C CB . TRP A 1 12 ? 4.605 1.383 -1.403 1.00 95.07 12 A 1 ATOM 100 C CG . TRP A 1 12 ? 5.138 2.692 -1.880 1.00 93.62 12 A 1 ATOM 101 C CD1 . TRP A 1 12 ? 4.493 3.598 -2.654 1.00 90.73 12 A 1 ATOM 102 C CD2 . TRP A 1 12 ? 6.430 3.239 -1.619 1.00 92.39 12 A 1 ATOM 103 N NE1 . TRP A 1 12 ? 5.306 4.674 -2.890 1.00 89.07 12 A 1 ATOM 104 C CE2 . TRP A 1 12 ? 6.505 4.490 -2.267 1.00 91.13 12 A 1 ATOM 105 C CE3 . TRP A 1 12 ? 7.543 2.809 -0.896 1.00 88.75 12 A 1 ATOM 106 C CZ2 . TRP A 1 12 ? 7.638 5.288 -2.211 1.00 88.82 12 A 1 ATOM 107 C CZ3 . TRP A 1 12 ? 8.671 3.606 -0.838 1.00 86.78 12 A 1 ATOM 108 C CH2 . TRP A 1 12 ? 8.712 4.831 -1.492 1.00 86.12 12 A 1 ATOM 109 N N . LEU A 1 13 ? 5.621 -1.329 -0.394 1.00 96.77 13 A 1 ATOM 110 C CA . LEU A 1 13 ? 6.455 -2.149 0.479 1.00 96.79 13 A 1 ATOM 111 C C . LEU A 1 13 ? 7.043 -3.340 -0.262 1.00 97.03 13 A 1 ATOM 112 O O . LEU A 1 13 ? 8.120 -3.822 0.092 1.00 96.15 13 A 1 ATOM 113 C CB . LEU A 1 13 ? 5.630 -2.629 1.673 1.00 96.32 13 A 1 ATOM 114 C CG . LEU A 1 13 ? 5.582 -1.637 2.836 1.00 93.90 13 A 1 ATOM 115 C CD1 . LEU A 1 13 ? 4.388 -1.910 3.727 1.00 91.63 13 A 1 ATOM 116 C CD2 . LEU A 1 13 ? 6.864 -1.712 3.640 1.00 91.88 13 A 1 ATOM 117 N N . LEU A 1 14 ? 6.357 -3.803 -1.267 1.00 96.72 14 A 1 ATOM 118 C CA . LEU A 1 14 ? 6.806 -4.939 -2.058 1.00 96.37 14 A 1 ATOM 119 C C . LEU A 1 14 ? 8.037 -4.592 -2.886 1.00 96.41 14 A 1 ATOM 120 O O . LEU A 1 14 ? 8.965 -5.393 -2.995 1.00 95.31 14 A 1 ATOM 121 C CB . LEU A 1 14 ? 5.677 -5.403 -2.974 1.00 95.76 14 A 1 ATOM 122 C CG . LEU A 1 14 ? 5.987 -6.635 -3.797 1.00 93.44 14 A 1 ATOM 123 C CD1 . LEU A 1 14 ? 5.996 -7.870 -2.907 1.00 91.15 14 A 1 ATOM 124 C CD2 . LEU A 1 14 ? 4.971 -6.795 -4.910 1.00 91.13 14 A 1 ATOM 125 N N . VAL A 1 15 ? 8.042 -3.417 -3.480 1.00 95.65 15 A 1 ATOM 126 C CA . VAL A 1 15 ? 9.157 -2.977 -4.312 1.00 94.66 15 A 1 ATOM 127 C C . VAL A 1 15 ? 10.311 -2.422 -3.483 1.00 94.74 15 A 1 ATOM 128 O O . VAL A 1 15 ? 11.431 -2.303 -3.976 1.00 92.22 15 A 1 ATOM 129 C CB . VAL A 1 15 ? 8.704 -1.913 -5.334 1.00 92.97 15 A 1 ATOM 130 C CG1 . VAL A 1 15 ? 7.703 -2.494 -6.315 1.00 88.32 15 A 1 ATOM 131 C CG2 . VAL A 1 15 ? 8.116 -0.698 -4.633 1.00 87.68 15 A 1 ATOM 132 N N . CYS A 1 16 ? 10.022 -2.089 -2.244 1.00 93.44 16 A 1 ATOM 133 C CA . CYS A 1 16 ? 11.030 -1.543 -1.339 1.00 90.71 16 A 1 ATOM 134 C C . CYS A 1 16 ? 12.148 -2.563 -1.078 1.00 88.10 16 A 1 ATOM 135 O O . CYS A 1 16 ? 13.323 -2.202 -1.193 1.00 82.81 16 A 1 ATOM 136 C CB . CYS A 1 16 ? 10.375 -1.108 -0.020 1.00 86.92 16 A 1 ATOM 137 S SG . CYS A 1 16 ? 9.973 0.638 0.040 1.00 80.86 16 A 1 ATOM 138 O OXT . CYS A 1 16 ? 11.855 -3.730 -0.758 1.00 76.68 16 A 1 #