# 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_773 # _entry.id 773 # 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 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" "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" # _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 LYS 2 1 n LEU 3 1 n PHE 4 1 n ILE 5 1 n PRO 6 1 n ALA 7 1 n LEU 8 1 n LEU 9 1 n PHE 10 1 n LEU 11 1 n GLY 12 1 n THR 13 1 n LEU 14 1 n GLY 15 1 n LEU 16 1 n CYS 17 1 n LEU 18 1 n ALA 19 # _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 @ 2025-05-28 21:27:41)" _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 89.71 _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 MET 1 2 83.35 1 1 A LYS 2 2 81.28 1 2 A LEU 3 2 87.49 1 3 A PHE 4 2 86.14 1 4 A ILE 5 2 89.56 1 5 A PRO 6 2 94.09 1 6 A ALA 7 2 94.74 1 7 A LEU 8 2 90.87 1 8 A LEU 9 2 91.61 1 9 A PHE 10 2 91.37 1 10 A LEU 11 2 90.69 1 11 A GLY 12 2 95.67 1 12 A THR 13 2 92.54 1 13 A LEU 14 2 90.59 1 14 A GLY 15 2 95.75 1 15 A LEU 16 2 91.27 1 16 A CYS 17 2 92.66 1 17 A LEU 18 2 88.57 1 18 A ALA 19 2 86.73 1 19 # _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 LYS . 2 A 2 A 3 1 n LEU . 3 A 3 A 4 1 n PHE . 4 A 4 A 5 1 n ILE . 5 A 5 A 6 1 n PRO . 6 A 6 A 7 1 n ALA . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n PHE . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n GLY . 12 A 12 A 13 1 n THR . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n GLY . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n CYS . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n ALA . 19 A 19 # _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 ? -5.314 14.522 8.382 1.00 89.20 1 A 1 ATOM 2 C CA . MET A 1 1 ? -4.298 13.611 7.812 1.00 90.22 1 A 1 ATOM 3 C C . MET A 1 1 ? -4.954 12.325 7.313 1.00 90.64 1 A 1 ATOM 4 O O . MET A 1 1 ? -5.596 11.625 8.087 1.00 86.75 1 A 1 ATOM 5 C CB . MET A 1 1 ? -3.258 13.266 8.871 1.00 85.75 1 A 1 ATOM 6 C CG . MET A 1 1 ? -2.505 14.498 9.349 1.00 81.25 1 A 1 ATOM 7 S SD . MET A 1 1 ? -1.473 14.144 10.772 1.00 76.12 1 A 1 ATOM 8 C CE . MET A 1 1 ? -0.900 15.785 11.170 1.00 66.88 1 A 1 ATOM 9 N N . LYS A 1 2 ? -4.810 12.024 6.042 1.00 88.40 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -5.403 10.839 5.426 1.00 89.28 2 A 1 ATOM 11 C C . LYS A 1 2 ? -4.367 10.060 4.613 1.00 89.99 2 A 1 ATOM 12 O O . LYS A 1 2 ? -4.703 9.432 3.608 1.00 88.76 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -6.575 11.265 4.536 1.00 86.09 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -6.165 12.255 3.458 1.00 78.59 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -7.346 12.609 2.578 1.00 76.44 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -6.918 13.507 1.435 1.00 70.48 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -8.094 13.944 0.632 1.00 63.49 2 A 1 ATOM 18 N N . LEU A 1 3 ? -3.129 10.113 5.036 1.00 91.53 3 A 1 ATOM 19 C CA . LEU A 1 3 ? -2.044 9.429 4.329 1.00 92.83 3 A 1 ATOM 20 C C . LEU A 1 3 ? -1.719 8.080 4.973 1.00 94.29 3 A 1 ATOM 21 O O . LEU A 1 3 ? -0.951 7.294 4.424 1.00 92.04 3 A 1 ATOM 22 C CB . LEU A 1 3 ? -0.798 10.319 4.311 1.00 90.51 3 A 1 ATOM 23 C CG . LEU A 1 3 ? 0.041 10.157 3.049 1.00 83.01 3 A 1 ATOM 24 C CD1 . LEU A 1 3 ? -0.566 10.973 1.912 1.00 78.66 3 A 1 ATOM 25 C CD2 . LEU A 1 3 ? 1.471 10.592 3.309 1.00 77.07 3 A 1 ATOM 26 N N . PHE A 1 4 ? -2.314 7.820 6.125 1.00 88.26 4 A 1 ATOM 27 C CA . PHE A 1 4 ? -2.072 6.568 6.842 1.00 89.45 4 A 1 ATOM 28 C C . PHE A 1 4 ? -2.885 5.425 6.253 1.00 92.14 4 A 1 ATOM 29 O O . PHE A 1 4 ? -2.453 4.274 6.267 1.00 91.92 4 A 1 ATOM 30 C CB . PHE A 1 4 ? -2.422 6.751 8.318 1.00 88.95 4 A 1 ATOM 31 C CG . PHE A 1 4 ? -1.205 6.706 9.207 1.00 86.10 4 A 1 ATOM 32 C CD1 . PHE A 1 4 ? -0.295 7.745 9.214 1.00 82.57 4 A 1 ATOM 33 C CD2 . PHE A 1 4 ? -0.990 5.613 10.032 1.00 82.14 4 A 1 ATOM 34 C CE1 . PHE A 1 4 ? 0.828 7.701 10.030 1.00 81.86 4 A 1 ATOM 35 C CE2 . PHE A 1 4 ? 0.130 5.564 10.854 1.00 82.51 4 A 1 ATOM 36 C CZ . PHE A 1 4 ? 1.040 6.609 10.855 1.00 81.68 4 A 1 ATOM 37 N N . ILE A 1 5 ? -4.062 5.744 5.738 1.00 91.42 5 A 1 ATOM 38 C CA . ILE A 1 5 ? -4.939 4.737 5.140 1.00 91.38 5 A 1 ATOM 39 C C . ILE A 1 5 ? -4.306 4.127 3.886 1.00 92.29 5 A 1 ATOM 40 O O . ILE A 1 5 ? -4.227 2.900 3.761 1.00 92.38 5 A 1 ATOM 41 C CB . ILE A 1 5 ? -6.317 5.344 4.813 1.00 91.50 5 A 1 ATOM 42 C CG1 . ILE A 1 5 ? -6.926 6.017 6.053 1.00 88.65 5 A 1 ATOM 43 C CG2 . ILE A 1 5 ? -7.247 4.260 4.269 1.00 87.24 5 A 1 ATOM 44 C CD1 . ILE A 1 5 ? -7.169 5.053 7.198 1.00 81.62 5 A 1 ATOM 45 N N . PRO A 1 6 ? -3.887 4.962 2.944 1.00 94.95 6 A 1 ATOM 46 C CA . PRO A 1 6 ? -3.279 4.449 1.708 1.00 94.74 6 A 1 ATOM 47 C C . PRO A 1 6 ? -1.961 3.732 1.969 1.00 95.32 6 A 1 ATOM 48 O O . PRO A 1 6 ? -1.618 2.779 1.271 1.00 94.94 6 A 1 ATOM 49 C CB . PRO A 1 6 ? -3.060 5.713 0.865 1.00 92.94 6 A 1 ATOM 50 C CG . PRO A 1 6 ? -2.995 6.828 1.844 1.00 91.75 6 A 1 ATOM 51 C CD . PRO A 1 6 ? -3.927 6.425 2.962 1.00 94.01 6 A 1 ATOM 52 N N . ALA A 1 7 ? -1.232 4.188 2.960 1.00 94.61 7 A 1 ATOM 53 C CA . ALA A 1 7 ? 0.053 3.579 3.305 1.00 94.71 7 A 1 ATOM 54 C C . ALA A 1 7 ? -0.139 2.136 3.769 1.00 95.49 7 A 1 ATOM 55 O O . ALA A 1 7 ? 0.638 1.251 3.415 1.00 94.68 7 A 1 ATOM 56 C CB . ALA A 1 7 ? 0.733 4.403 4.395 1.00 94.19 7 A 1 ATOM 57 N N . LEU A 1 8 ? -1.178 1.909 4.554 1.00 93.95 8 A 1 ATOM 58 C CA . LEU A 1 8 ? -1.472 0.571 5.064 1.00 93.79 8 A 1 ATOM 59 C C . LEU A 1 8 ? -1.926 -0.352 3.941 1.00 94.69 8 A 1 ATOM 60 O O . LEU A 1 8 ? -1.486 -1.501 3.852 1.00 94.40 8 A 1 ATOM 61 C CB . LEU A 1 8 ? -2.556 0.659 6.138 1.00 93.64 8 A 1 ATOM 62 C CG . LEU A 1 8 ? -2.756 -0.639 6.911 1.00 87.34 8 A 1 ATOM 63 C CD1 . LEU A 1 8 ? -1.651 -0.812 7.950 1.00 84.31 8 A 1 ATOM 64 C CD2 . LEU A 1 8 ? -4.112 -0.644 7.601 1.00 84.83 8 A 1 ATOM 65 N N . LEU A 1 9 ? -2.798 0.153 3.084 1.00 93.94 9 A 1 ATOM 66 C CA . LEU A 1 9 ? -3.313 -0.634 1.962 1.00 94.17 9 A 1 ATOM 67 C C . LEU A 1 9 ? -2.209 -0.926 0.950 1.00 95.41 9 A 1 ATOM 68 O O . LEU A 1 9 ? -2.145 -2.020 0.382 1.00 95.72 9 A 1 ATOM 69 C CB . LEU A 1 9 ? -4.454 0.130 1.290 1.00 94.28 9 A 1 ATOM 70 C CG . LEU A 1 9 ? -5.694 0.295 2.166 1.00 88.10 9 A 1 ATOM 71 C CD1 . LEU A 1 9 ? -6.625 1.336 1.559 1.00 85.00 9 A 1 ATOM 72 C CD2 . LEU A 1 9 ? -6.425 -1.032 2.315 1.00 86.25 9 A 1 ATOM 73 N N . PHE A 1 10 ? -1.355 0.042 0.741 1.00 93.79 10 A 1 ATOM 74 C CA . PHE A 1 10 ? -0.248 -0.107 -0.202 1.00 93.47 10 A 1 ATOM 75 C C . PHE A 1 10 ? 0.708 -1.200 0.265 1.00 94.74 10 A 1 ATOM 76 O O . PHE A 1 10 ? 1.203 -1.998 -0.532 1.00 94.68 10 A 1 ATOM 77 C CB . PHE A 1 10 ? 0.499 1.221 -0.334 1.00 93.08 10 A 1 ATOM 78 C CG . PHE A 1 10 ? 0.795 1.586 -1.770 1.00 91.95 10 A 1 ATOM 79 C CD1 . PHE A 1 10 ? 1.741 0.884 -2.496 1.00 88.85 10 A 1 ATOM 80 C CD2 . PHE A 1 10 ? 0.119 2.631 -2.379 1.00 89.39 10 A 1 ATOM 81 C CE1 . PHE A 1 10 ? 2.012 1.210 -3.816 1.00 88.06 10 A 1 ATOM 82 C CE2 . PHE A 1 10 ? 0.388 2.966 -3.700 1.00 87.96 10 A 1 ATOM 83 C CZ . PHE A 1 10 ? 1.333 2.256 -4.420 1.00 89.09 10 A 1 ATOM 84 N N . LEU A 1 11 ? 0.954 -1.234 1.550 1.00 94.17 11 A 1 ATOM 85 C CA . LEU A 1 11 ? 1.853 -2.236 2.123 1.00 94.10 11 A 1 ATOM 86 C C . LEU A 1 11 ? 1.253 -3.632 1.985 1.00 95.11 11 A 1 ATOM 87 O O . LEU A 1 11 ? 1.972 -4.607 1.759 1.00 94.55 11 A 1 ATOM 88 C CB . LEU A 1 11 ? 2.102 -1.910 3.596 1.00 93.42 11 A 1 ATOM 89 C CG . LEU A 1 11 ? 3.400 -2.500 4.133 1.00 87.66 11 A 1 ATOM 90 C CD1 . LEU A 1 11 ? 4.591 -1.665 3.675 1.00 82.75 11 A 1 ATOM 91 C CD2 . LEU A 1 11 ? 3.360 -2.565 5.653 1.00 83.80 11 A 1 ATOM 92 N N . GLY A 1 12 ? -0.057 -3.721 2.119 1.00 95.43 12 A 1 ATOM 93 C CA . GLY A 1 12 ? -0.748 -4.999 1.992 1.00 95.43 12 A 1 ATOM 94 C C . GLY A 1 12 ? -0.657 -5.564 0.588 1.00 96.26 12 A 1 ATOM 95 O O . GLY A 1 12 ? -0.405 -6.755 0.398 1.00 95.58 12 A 1 ATOM 96 N N . THR A 1 13 ? -0.858 -4.709 -0.395 1.00 95.02 13 A 1 ATOM 97 C CA . THR A 1 13 ? -0.802 -5.127 -1.797 1.00 94.95 13 A 1 ATOM 98 C C . THR A 1 13 ? 0.611 -5.552 -2.185 1.00 95.28 13 A 1 ATOM 99 O O . THR A 1 13 ? 0.803 -6.570 -2.848 1.00 93.57 13 A 1 ATOM 100 C CB . THR A 1 13 ? -1.261 -3.983 -2.710 1.00 93.86 13 A 1 ATOM 101 O OG1 . THR A 1 13 ? -0.517 -2.811 -2.431 1.00 87.97 13 A 1 ATOM 102 C CG2 . THR A 1 13 ? -2.737 -3.696 -2.517 1.00 87.12 13 A 1 ATOM 103 N N . LEU A 1 14 ? 1.585 -4.771 -1.759 1.00 94.55 14 A 1 ATOM 104 C CA . LEU A 1 14 ? 2.985 -5.072 -2.065 1.00 93.91 14 A 1 ATOM 105 C C . LEU A 1 14 ? 3.442 -6.323 -1.320 1.00 94.54 14 A 1 ATOM 106 O O . LEU A 1 14 ? 4.223 -7.117 -1.844 1.00 93.37 14 A 1 ATOM 107 C CB . LEU A 1 14 ? 3.857 -3.876 -1.679 1.00 92.81 14 A 1 ATOM 108 C CG . LEU A 1 14 ? 3.653 -2.645 -2.560 1.00 88.47 14 A 1 ATOM 109 C CD1 . LEU A 1 14 ? 4.260 -1.418 -1.895 1.00 83.76 14 A 1 ATOM 110 C CD2 . LEU A 1 14 ? 4.277 -2.863 -3.931 1.00 83.32 14 A 1 ATOM 111 N N . GLY A 1 15 ? 2.949 -6.487 -0.117 1.00 95.61 15 A 1 ATOM 112 C CA . GLY A 1 15 ? 3.298 -7.653 0.690 1.00 95.67 15 A 1 ATOM 113 C C . GLY A 1 15 ? 2.848 -8.946 0.037 1.00 96.21 15 A 1 ATOM 114 O O . GLY A 1 15 ? 3.537 -9.963 0.099 1.00 95.53 15 A 1 ATOM 115 N N . LEU A 1 16 ? 1.690 -8.914 -0.596 1.00 95.16 16 A 1 ATOM 116 C CA . LEU A 1 16 ? 1.151 -10.091 -1.283 1.00 94.89 16 A 1 ATOM 117 C C . LEU A 1 16 ? 1.952 -10.402 -2.542 1.00 95.55 16 A 1 ATOM 118 O O . LEU A 1 16 ? 2.076 -11.563 -2.938 1.00 94.54 16 A 1 ATOM 119 C CB . LEU A 1 16 ? -0.315 -9.845 -1.643 1.00 94.01 16 A 1 ATOM 120 C CG . LEU A 1 16 ? -1.090 -11.130 -1.899 1.00 89.05 16 A 1 ATOM 121 C CD1 . LEU A 1 16 ? -2.110 -11.369 -0.798 1.00 84.05 16 A 1 ATOM 122 C CD2 . LEU A 1 16 ? -1.777 -11.075 -3.253 1.00 82.92 16 A 1 ATOM 123 N N . CYS A 1 17 ? 2.480 -9.374 -3.168 1.00 94.89 17 A 1 ATOM 124 C CA . CYS A 1 17 ? 3.262 -9.532 -4.391 1.00 94.57 17 A 1 ATOM 125 C C . CYS A 1 17 ? 4.552 -10.308 -4.126 1.00 95.06 17 A 1 ATOM 126 O O . CYS A 1 17 ? 4.946 -11.156 -4.921 1.00 93.03 17 A 1 ATOM 127 C CB . CYS A 1 17 ? 3.589 -8.153 -4.971 1.00 92.26 17 A 1 ATOM 128 S SG . CYS A 1 17 ? 4.026 -8.230 -6.716 1.00 86.17 17 A 1 ATOM 129 N N . LEU A 1 18 ? 5.205 -10.001 -3.026 1.00 92.87 18 A 1 ATOM 130 C CA . LEU A 1 18 ? 6.456 -10.670 -2.664 1.00 92.81 18 A 1 ATOM 131 C C . LEU A 1 18 ? 6.210 -11.980 -1.924 1.00 93.61 18 A 1 ATOM 132 O O . LEU A 1 18 ? 7.137 -12.777 -1.731 1.00 92.27 18 A 1 ATOM 133 C CB . LEU A 1 18 ? 7.300 -9.725 -1.797 1.00 90.77 18 A 1 ATOM 134 C CG . LEU A 1 18 ? 6.671 -9.393 -0.445 1.00 86.47 18 A 1 ATOM 135 C CD1 . LEU A 1 18 ? 7.273 -10.265 0.652 1.00 80.93 18 A 1 ATOM 136 C CD2 . LEU A 1 18 ? 6.870 -7.927 -0.113 1.00 78.85 18 A 1 ATOM 137 N N . ALA A 1 19 ? 4.981 -12.207 -1.518 1.00 92.43 19 A 1 ATOM 138 C CA . ALA A 1 19 ? 4.633 -13.416 -0.783 1.00 91.49 19 A 1 ATOM 139 C C . ALA A 1 19 ? 4.701 -14.654 -1.678 1.00 88.84 19 A 1 ATOM 140 O O . ALA A 1 19 ? 4.577 -14.518 -2.905 1.00 83.75 19 A 1 ATOM 141 C CB . ALA A 1 19 ? 3.245 -13.275 -0.161 1.00 86.97 19 A 1 ATOM 142 O OXT . ALA A 1 19 ? 4.878 -15.763 -1.152 1.00 76.92 19 A 1 #