# 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_spkb43828 # _entry.id spkb43828 # 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" "C6 H15 N4 O2" 175.209 ARG y ARGININE C(C[C@@H](C(=O)O)N)CNC(=[NH2+])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" "C3 H7 N O3" 105.093 SER y SERINE C([C@@H](C(=O)O)N)O ? "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 TYR 2 1 n ILE 3 1 n LYS 4 1 n VAL 5 1 n ALA 6 1 n LEU 7 1 n VAL 8 1 n CYS 9 1 n LEU 10 1 n PHE 11 1 n SER 12 1 n MET 13 1 n GLY 14 1 n ALA 15 1 n ARG 16 1 n CYS 17 1 n LEU 18 1 n LEU 19 1 n ALA 20 # _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 @ 2025-07-07 01:35:36)" _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 88.57 _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 85.61 1 1 A TYR 2 2 87.69 1 2 A ILE 3 2 89.20 1 3 A LYS 4 2 88.78 1 4 A VAL 5 2 91.69 1 5 A ALA 6 2 93.65 1 6 A LEU 7 2 90.19 1 7 A VAL 8 2 93.51 1 8 A CYS 9 2 92.39 1 9 A LEU 10 2 90.79 1 10 A PHE 11 2 90.99 1 11 A SER 12 2 92.53 1 12 A MET 13 2 90.23 1 13 A GLY 14 2 94.22 1 14 A ALA 15 2 91.79 1 15 A ARG 16 2 83.17 1 16 A CYS 17 2 89.24 1 17 A LEU 18 2 82.68 1 18 A LEU 19 2 83.60 1 19 A ALA 20 2 77.26 1 20 # _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 TYR . 2 A 2 A 3 1 n ILE . 3 A 3 A 4 1 n LYS . 4 A 4 A 5 1 n VAL . 5 A 5 A 6 1 n ALA . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n VAL . 8 A 8 A 9 1 n CYS . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n PHE . 11 A 11 A 12 1 n SER . 12 A 12 A 13 1 n MET . 13 A 13 A 14 1 n GLY . 14 A 14 A 15 1 n ALA . 15 A 15 A 16 1 n ARG . 16 A 16 A 17 1 n CYS . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n ALA . 20 A 20 # _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 ? -7.217 10.389 9.211 1.00 90.77 1 A 1 ATOM 2 C CA . MET A 1 1 ? -6.055 10.014 8.377 1.00 93.03 1 A 1 ATOM 3 C C . MET A 1 1 ? -6.219 8.586 7.851 1.00 94.48 1 A 1 ATOM 4 O O . MET A 1 1 ? -6.061 7.631 8.599 1.00 91.33 1 A 1 ATOM 5 C CB . MET A 1 1 ? -4.775 10.113 9.202 1.00 87.86 1 A 1 ATOM 6 C CG . MET A 1 1 ? -4.441 11.556 9.556 1.00 80.47 1 A 1 ATOM 7 S SD . MET A 1 1 ? -3.126 11.677 10.772 1.00 76.96 1 A 1 ATOM 8 C CE . MET A 1 1 ? -3.057 13.443 11.012 1.00 70.01 1 A 1 ATOM 9 N N . TYR A 1 2 ? -6.540 8.443 6.568 1.00 89.19 2 A 1 ATOM 10 C CA . TYR A 1 2 ? -6.750 7.136 5.929 1.00 91.04 2 A 1 ATOM 11 C C . TYR A 1 2 ? -5.465 6.588 5.305 1.00 92.69 2 A 1 ATOM 12 O O . TYR A 1 2 ? -5.404 5.423 4.920 1.00 91.63 2 A 1 ATOM 13 C CB . TYR A 1 2 ? -7.825 7.273 4.851 1.00 89.74 2 A 1 ATOM 14 C CG . TYR A 1 2 ? -7.489 8.344 3.825 1.00 86.58 2 A 1 ATOM 15 C CD1 . TYR A 1 2 ? -6.707 8.038 2.718 1.00 86.11 2 A 1 ATOM 16 C CD2 . TYR A 1 2 ? -7.962 9.643 3.973 1.00 84.99 2 A 1 ATOM 17 C CE1 . TYR A 1 2 ? -6.397 9.016 1.781 1.00 84.87 2 A 1 ATOM 18 C CE2 . TYR A 1 2 ? -7.652 10.626 3.038 1.00 85.17 2 A 1 ATOM 19 C CZ . TYR A 1 2 ? -6.873 10.304 1.945 1.00 86.50 2 A 1 ATOM 20 O OH . TYR A 1 2 ? -6.567 11.270 1.016 1.00 83.74 2 A 1 ATOM 21 N N . ILE A 1 3 ? -4.453 7.423 5.174 1.00 91.19 3 A 1 ATOM 22 C CA . ILE A 1 3 ? -3.177 7.033 4.568 1.00 91.05 3 A 1 ATOM 23 C C . ILE A 1 3 ? -2.360 6.115 5.479 1.00 92.11 3 A 1 ATOM 24 O O . ILE A 1 3 ? -1.295 5.634 5.100 1.00 90.46 3 A 1 ATOM 25 C CB . ILE A 1 3 ? -2.341 8.284 4.226 1.00 90.93 3 A 1 ATOM 26 C CG1 . ILE A 1 3 ? -2.364 9.288 5.374 1.00 88.18 3 A 1 ATOM 27 C CG2 . ILE A 1 3 ? -2.847 8.926 2.938 1.00 87.32 3 A 1 ATOM 28 C CD1 . ILE A 1 3 ? -1.168 10.213 5.375 1.00 82.34 3 A 1 ATOM 29 N N . LYS A 1 4 ? -2.860 5.865 6.660 1.00 94.01 4 A 1 ATOM 30 C CA . LYS A 1 4 ? -2.152 5.012 7.623 1.00 94.01 4 A 1 ATOM 31 C C . LYS A 1 4 ? -2.051 3.578 7.102 1.00 94.07 4 A 1 ATOM 32 O O . LYS A 1 4 ? -1.002 2.946 7.190 1.00 93.55 4 A 1 ATOM 33 C CB . LYS A 1 4 ? -2.889 5.042 8.965 1.00 93.70 4 A 1 ATOM 34 C CG . LYS A 1 4 ? -2.089 4.394 10.082 1.00 88.37 4 A 1 ATOM 35 C CD . LYS A 1 4 ? -2.877 4.384 11.384 1.00 86.13 4 A 1 ATOM 36 C CE . LYS A 1 4 ? -2.130 3.623 12.474 1.00 80.96 4 A 1 ATOM 37 N NZ . LYS A 1 4 ? -2.889 3.674 13.764 1.00 74.22 4 A 1 ATOM 38 N N . VAL A 1 5 ? -3.132 3.071 6.532 1.00 94.27 5 A 1 ATOM 39 C CA . VAL A 1 5 ? -3.164 1.709 5.990 1.00 93.34 5 A 1 ATOM 40 C C . VAL A 1 5 ? -2.369 1.619 4.692 1.00 93.17 5 A 1 ATOM 41 O O . VAL A 1 5 ? -1.778 0.583 4.385 1.00 92.08 5 A 1 ATOM 42 C CB . VAL A 1 5 ? -4.610 1.251 5.747 1.00 92.35 5 A 1 ATOM 43 C CG1 . VAL A 1 5 ? -4.652 -0.222 5.374 1.00 87.49 5 A 1 ATOM 44 C CG2 . VAL A 1 5 ? -5.465 1.506 6.979 1.00 89.15 5 A 1 ATOM 45 N N . ALA A 1 6 ? -2.369 2.699 3.920 1.00 93.72 6 A 1 ATOM 46 C CA . ALA A 1 6 ? -1.652 2.737 2.644 1.00 93.57 6 A 1 ATOM 47 C C . ALA A 1 6 ? -0.147 2.574 2.847 1.00 94.15 6 A 1 ATOM 48 O O . ALA A 1 6 ? 0.510 1.853 2.100 1.00 93.16 6 A 1 ATOM 49 C CB . ALA A 1 6 ? -1.944 4.053 1.931 1.00 93.64 6 A 1 ATOM 50 N N . LEU A 1 7 ? 0.394 3.236 3.862 1.00 91.83 7 A 1 ATOM 51 C CA . LEU A 1 7 ? 1.827 3.156 4.153 1.00 92.05 7 A 1 ATOM 52 C C . LEU A 1 7 ? 2.223 1.756 4.610 1.00 93.01 7 A 1 ATOM 53 O O . LEU A 1 7 ? 3.228 1.207 4.171 1.00 92.53 7 A 1 ATOM 54 C CB . LEU A 1 7 ? 2.196 4.179 5.231 1.00 92.24 7 A 1 ATOM 55 C CG . LEU A 1 7 ? 2.968 5.383 4.697 1.00 88.15 7 A 1 ATOM 56 C CD1 . LEU A 1 7 ? 2.012 6.460 4.215 1.00 85.31 7 A 1 ATOM 57 C CD2 . LEU A 1 7 ? 3.886 5.942 5.778 1.00 86.41 7 A 1 ATOM 58 N N . VAL A 1 8 ? 1.427 1.175 5.481 1.00 94.93 8 A 1 ATOM 59 C CA . VAL A 1 8 ? 1.700 -0.167 6.001 1.00 94.47 8 A 1 ATOM 60 C C . VAL A 1 8 ? 1.523 -1.216 4.909 1.00 94.73 8 A 1 ATOM 61 O O . VAL A 1 8 ? 2.255 -2.206 4.858 1.00 93.96 8 A 1 ATOM 62 C CB . VAL A 1 8 ? 0.774 -0.482 7.189 1.00 94.12 8 A 1 ATOM 63 C CG1 . VAL A 1 8 ? 1.048 -1.878 7.735 1.00 90.83 8 A 1 ATOM 64 C CG2 . VAL A 1 8 ? 0.957 0.548 8.293 1.00 91.52 8 A 1 ATOM 65 N N . CYS A 1 9 ? 0.564 -1.008 4.036 1.00 93.45 9 A 1 ATOM 66 C CA . CYS A 1 9 ? 0.285 -1.954 2.954 1.00 93.13 9 A 1 ATOM 67 C C . CYS A 1 9 ? 1.404 -1.958 1.915 1.00 93.76 9 A 1 ATOM 68 O O . CYS A 1 9 ? 1.861 -3.014 1.488 1.00 92.43 9 A 1 ATOM 69 C CB . CYS A 1 9 ? -1.044 -1.599 2.288 1.00 92.11 9 A 1 ATOM 70 S SG . CYS A 1 9 ? -2.398 -2.705 2.766 1.00 89.47 9 A 1 ATOM 71 N N . LEU A 1 10 ? 1.836 -0.777 1.496 1.00 92.72 10 A 1 ATOM 72 C CA . LEU A 1 10 ? 2.890 -0.670 0.484 1.00 93.06 10 A 1 ATOM 73 C C . LEU A 1 10 ? 4.266 -0.977 1.062 1.00 94.49 10 A 1 ATOM 74 O O . LEU A 1 10 ? 5.151 -1.461 0.354 1.00 93.73 10 A 1 ATOM 75 C CB . LEU A 1 10 ? 2.864 0.735 -0.132 1.00 92.65 10 A 1 ATOM 76 C CG . LEU A 1 10 ? 3.689 1.772 0.618 1.00 88.12 10 A 1 ATOM 77 C CD1 . LEU A 1 10 ? 5.045 1.955 -0.060 1.00 85.29 10 A 1 ATOM 78 C CD2 . LEU A 1 10 ? 2.956 3.104 0.645 1.00 86.28 10 A 1 ATOM 79 N N . PHE A 1 11 ? 4.465 -0.708 2.344 1.00 92.91 11 A 1 ATOM 80 C CA . PHE A 1 11 ? 5.754 -0.937 2.995 1.00 92.61 11 A 1 ATOM 81 C C . PHE A 1 11 ? 5.909 -2.387 3.436 1.00 94.09 11 A 1 ATOM 82 O O . PHE A 1 11 ? 6.936 -3.013 3.181 1.00 93.26 11 A 1 ATOM 83 C CB . PHE A 1 11 ? 5.895 0.001 4.194 1.00 92.63 11 A 1 ATOM 84 C CG . PHE A 1 11 ? 7.328 0.220 4.598 1.00 91.11 11 A 1 ATOM 85 C CD1 . PHE A 1 11 ? 8.133 1.108 3.895 1.00 88.53 11 A 1 ATOM 86 C CD2 . PHE A 1 11 ? 7.865 -0.467 5.677 1.00 89.45 11 A 1 ATOM 87 C CE1 . PHE A 1 11 ? 9.457 1.307 4.263 1.00 88.82 11 A 1 ATOM 88 C CE2 . PHE A 1 11 ? 9.192 -0.272 6.049 1.00 88.49 11 A 1 ATOM 89 C CZ . PHE A 1 11 ? 9.986 0.618 5.340 1.00 89.02 11 A 1 ATOM 90 N N . SER A 1 12 ? 4.898 -2.919 4.083 1.00 94.48 12 A 1 ATOM 91 C CA . SER A 1 12 ? 4.936 -4.293 4.585 1.00 94.27 12 A 1 ATOM 92 C C . SER A 1 12 ? 4.510 -5.306 3.523 1.00 94.53 12 A 1 ATOM 93 O O . SER A 1 12 ? 5.159 -6.329 3.329 1.00 93.29 12 A 1 ATOM 94 C CB . SER A 1 12 ? 4.041 -4.420 5.815 1.00 93.18 12 A 1 ATOM 95 O OG . SER A 1 12 ? 4.720 -5.060 6.871 1.00 85.43 12 A 1 ATOM 96 N N . MET A 1 13 ? 3.408 -5.033 2.830 1.00 95.40 13 A 1 ATOM 97 C CA . MET A 1 13 ? 2.872 -5.945 1.809 1.00 95.13 13 A 1 ATOM 98 C C . MET A 1 13 ? 3.591 -5.807 0.471 1.00 95.79 13 A 1 ATOM 99 O O . MET A 1 13 ? 3.396 -6.627 -0.423 1.00 93.80 13 A 1 ATOM 100 C CB . MET A 1 13 ? 1.377 -5.687 1.623 1.00 94.05 13 A 1 ATOM 101 C CG . MET A 1 13 ? 0.624 -5.707 2.952 1.00 89.08 13 A 1 ATOM 102 S SD . MET A 1 13 ? 0.831 -7.244 3.834 1.00 83.65 13 A 1 ATOM 103 C CE . MET A 1 13 ? -0.173 -6.918 5.279 1.00 74.93 13 A 1 ATOM 104 N N . GLY A 1 14 ? 4.417 -4.785 0.314 1.00 94.43 14 A 1 ATOM 105 C CA . GLY A 1 14 ? 5.144 -4.580 -0.942 1.00 93.96 14 A 1 ATOM 106 C C . GLY A 1 14 ? 4.311 -3.894 -2.007 1.00 94.67 14 A 1 ATOM 107 O O . GLY A 1 14 ? 4.462 -4.185 -3.190 1.00 93.81 14 A 1 ATOM 108 N N . ALA A 1 15 ? 3.435 -2.993 -1.584 1.00 91.83 15 A 1 ATOM 109 C CA . ALA A 1 15 ? 2.577 -2.227 -2.501 1.00 92.01 15 A 1 ATOM 110 C C . ALA A 1 15 ? 1.630 -3.123 -3.305 1.00 93.26 15 A 1 ATOM 111 O O . ALA A 1 15 ? 1.074 -2.711 -4.315 1.00 91.14 15 A 1 ATOM 112 C CB . ALA A 1 15 ? 3.444 -1.394 -3.443 1.00 90.71 15 A 1 ATOM 113 N N . ARG A 1 16 ? 1.458 -4.366 -2.870 1.00 92.69 16 A 1 ATOM 114 C CA . ARG A 1 16 ? 0.589 -5.326 -3.566 1.00 91.83 16 A 1 ATOM 115 C C . ARG A 1 16 ? -0.663 -5.641 -2.762 1.00 92.99 16 A 1 ATOM 116 O O . ARG A 1 16 ? -1.492 -6.435 -3.190 1.00 90.35 16 A 1 ATOM 117 C CB . ARG A 1 16 ? 1.360 -6.614 -3.837 1.00 90.41 16 A 1 ATOM 118 C CG . ARG A 1 16 ? 2.122 -6.579 -5.144 1.00 84.16 16 A 1 ATOM 119 C CD . ARG A 1 16 ? 3.222 -7.610 -5.142 1.00 82.34 16 A 1 ATOM 120 N NE . ARG A 1 16 ? 3.612 -8.018 -6.490 1.00 78.03 16 A 1 ATOM 121 C CZ . ARG A 1 16 ? 4.138 -7.193 -7.392 1.00 75.09 16 A 1 ATOM 122 N NH1 . ARG A 1 16 ? 4.335 -5.921 -7.112 1.00 68.41 16 A 1 ATOM 123 N NH2 . ARG A 1 16 ? 4.457 -7.647 -8.589 1.00 68.62 16 A 1 ATOM 124 N N . CYS A 1 17 ? -0.811 -5.010 -1.633 1.00 89.54 17 A 1 ATOM 125 C CA . CYS A 1 17 ? -1.964 -5.242 -0.756 1.00 90.81 17 A 1 ATOM 126 C C . CYS A 1 17 ? -3.285 -4.871 -1.436 1.00 92.67 17 A 1 ATOM 127 O O . CYS A 1 17 ? -4.310 -5.510 -1.205 1.00 90.55 17 A 1 ATOM 128 C CB . CYS A 1 17 ? -1.783 -4.442 0.537 1.00 88.83 17 A 1 ATOM 129 S SG . CYS A 1 17 ? -3.196 -3.414 0.996 1.00 83.05 17 A 1 ATOM 130 N N . LEU A 1 18 ? -3.248 -3.843 -2.287 1.00 85.41 18 A 1 ATOM 131 C CA . LEU A 1 18 ? -4.457 -3.401 -2.989 1.00 85.44 18 A 1 ATOM 132 C C . LEU A 1 18 ? -4.527 -3.964 -4.399 1.00 88.20 18 A 1 ATOM 133 O O . LEU A 1 18 ? -5.609 -4.189 -4.934 1.00 85.91 18 A 1 ATOM 134 C CB . LEU A 1 18 ? -4.491 -1.868 -3.026 1.00 83.96 18 A 1 ATOM 135 C CG . LEU A 1 18 ? -5.599 -1.260 -2.183 1.00 80.51 18 A 1 ATOM 136 C CD1 . LEU A 1 18 ? -5.108 -0.013 -1.462 1.00 77.60 18 A 1 ATOM 137 C CD2 . LEU A 1 18 ? -6.796 -0.917 -3.062 1.00 74.44 18 A 1 ATOM 138 N N . LEU A 1 19 ? -3.369 -4.191 -5.019 1.00 87.29 19 A 1 ATOM 139 C CA . LEU A 1 19 ? -3.315 -4.720 -6.381 1.00 87.38 19 A 1 ATOM 140 C C . LEU A 1 19 ? -3.354 -6.247 -6.404 1.00 89.41 19 A 1 ATOM 141 O O . LEU A 1 19 ? -3.609 -6.844 -7.446 1.00 86.61 19 A 1 ATOM 142 C CB . LEU A 1 19 ? -2.042 -4.225 -7.077 1.00 85.38 19 A 1 ATOM 143 C CG . LEU A 1 19 ? -2.248 -3.865 -8.540 1.00 81.45 19 A 1 ATOM 144 C CD1 . LEU A 1 19 ? -2.526 -2.376 -8.682 1.00 77.06 19 A 1 ATOM 145 C CD2 . LEU A 1 19 ? -1.028 -4.248 -9.361 1.00 74.23 19 A 1 ATOM 146 N N . ALA A 1 20 ? -3.085 -6.882 -5.294 1.00 83.85 20 A 1 ATOM 147 C CA . ALA A 1 20 ? -3.067 -8.343 -5.190 1.00 81.63 20 A 1 ATOM 148 C C . ALA A 1 20 ? -4.469 -8.918 -5.386 1.00 79.16 20 A 1 ATOM 149 O O . ALA A 1 20 ? -4.608 -9.891 -6.149 1.00 75.30 20 A 1 ATOM 150 C CB . ALA A 1 20 ? -2.497 -8.756 -3.840 1.00 75.50 20 A 1 ATOM 151 O OXT . ALA A 1 20 ? -5.407 -8.433 -4.766 1.00 68.11 20 A 1 #