# 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_spkb36789 # _entry.id spkb36789 # 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" "C3 H7 N O3" 105.093 SER y SERINE C([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 ALA 2 1 n PHE 3 1 n LEU 4 1 n LYS 5 1 n LYS 6 1 n SER 7 1 n LEU 8 1 n PHE 9 1 n LEU 10 1 n VAL 11 1 n LEU 12 1 n LEU 13 1 n LEU 14 1 n GLY 15 1 n LEU 16 1 n ILE 17 1 n SER 18 1 n LEU 19 1 n SER 20 1 n ILE 21 1 n CYS 22 # _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 @ 2025-07-06 00:24:44)" _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 93.30 _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 81.57 1 1 A ALA 2 2 95.02 1 2 A PHE 3 2 90.81 1 3 A LEU 4 2 92.85 1 4 A LYS 5 2 90.07 1 5 A LYS 6 2 91.09 1 6 A SER 7 2 95.68 1 7 A LEU 8 2 95.05 1 8 A PHE 9 2 94.94 1 9 A LEU 10 2 95.29 1 10 A VAL 11 2 97.37 1 11 A LEU 12 2 95.64 1 12 A LEU 13 2 95.35 1 13 A LEU 14 2 95.39 1 14 A GLY 15 2 98.16 1 15 A LEU 16 2 95.59 1 16 A ILE 17 2 96.15 1 17 A SER 18 2 96.75 1 18 A LEU 19 2 94.35 1 19 A SER 20 2 94.05 1 20 A ILE 21 2 91.26 1 21 A CYS 22 2 85.46 1 22 # _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 ALA . 2 A 2 A 3 1 n PHE . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n LYS . 5 A 5 A 6 1 n LYS . 6 A 6 A 7 1 n SER . 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 VAL . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n LEU . 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 ILE . 17 A 17 A 18 1 n SER . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n SER . 20 A 20 A 21 1 n ILE . 21 A 21 A 22 1 n CYS . 22 A 22 # _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 ? -8.213 9.013 16.480 1.00 87.49 1 A 1 ATOM 2 C CA . MET A 1 1 ? -6.967 8.438 15.950 1.00 90.62 1 A 1 ATOM 3 C C . MET A 1 1 ? -6.753 8.861 14.503 1.00 90.98 1 A 1 ATOM 4 O O . MET A 1 1 ? -7.613 8.617 13.661 1.00 87.12 1 A 1 ATOM 5 C CB . MET A 1 1 ? -6.999 6.909 16.014 1.00 84.60 1 A 1 ATOM 6 C CG . MET A 1 1 ? -7.063 6.377 17.435 1.00 76.69 1 A 1 ATOM 7 S SD . MET A 1 1 ? -7.129 4.582 17.486 1.00 70.56 1 A 1 ATOM 8 C CE . MET A 1 1 ? -7.132 4.309 19.247 1.00 64.51 1 A 1 ATOM 9 N N . ALA A 1 2 ? -5.622 9.492 14.228 1.00 93.52 2 A 1 ATOM 10 C CA . ALA A 1 2 ? -5.300 9.954 12.879 1.00 95.64 2 A 1 ATOM 11 C C . ALA A 1 2 ? -4.236 9.072 12.235 1.00 96.56 2 A 1 ATOM 12 O O . ALA A 1 2 ? -3.673 9.415 11.196 1.00 95.46 2 A 1 ATOM 13 C CB . ALA A 1 2 ? -4.822 11.399 12.922 1.00 93.92 2 A 1 ATOM 14 N N . PHE A 1 3 ? -3.972 7.925 12.881 1.00 96.06 3 A 1 ATOM 15 C CA . PHE A 1 3 ? -2.954 7.006 12.387 1.00 96.41 3 A 1 ATOM 16 C C . PHE A 1 3 ? -3.500 6.134 11.265 1.00 97.01 3 A 1 ATOM 17 O O . PHE A 1 3 ? -2.746 5.511 10.520 1.00 96.22 3 A 1 ATOM 18 C CB . PHE A 1 3 ? -2.439 6.127 13.531 1.00 95.27 3 A 1 ATOM 19 C CG . PHE A 1 3 ? -1.104 5.496 13.228 1.00 90.69 3 A 1 ATOM 20 C CD1 . PHE A 1 3 ? -1.030 4.247 12.644 1.00 88.04 3 A 1 ATOM 21 C CD2 . PHE A 1 3 ? 0.064 6.166 13.534 1.00 86.77 3 A 1 ATOM 22 C CE1 . PHE A 1 3 ? 0.196 3.665 12.360 1.00 84.24 3 A 1 ATOM 23 C CE2 . PHE A 1 3 ? 1.295 5.593 13.253 1.00 85.38 3 A 1 ATOM 24 C CZ . PHE A 1 3 ? 1.360 4.342 12.666 1.00 82.81 3 A 1 ATOM 25 N N . LEU A 1 4 ? -4.838 6.103 11.146 1.00 96.81 4 A 1 ATOM 26 C CA . LEU A 1 4 ? -5.484 5.301 10.114 1.00 97.07 4 A 1 ATOM 27 C C . LEU A 1 4 ? -5.086 5.785 8.726 1.00 97.50 4 A 1 ATOM 28 O O . LEU A 1 4 ? -4.797 4.983 7.833 1.00 97.23 4 A 1 ATOM 29 C CB . LEU A 1 4 ? -7.010 5.337 10.270 1.00 96.75 4 A 1 ATOM 30 C CG . LEU A 1 4 ? -7.582 4.449 11.379 1.00 89.36 4 A 1 ATOM 31 C CD1 . LEU A 1 4 ? -7.227 2.995 11.090 1.00 84.19 4 A 1 ATOM 32 C CD2 . LEU A 1 4 ? -7.053 4.858 12.742 1.00 83.90 4 A 1 ATOM 33 N N . LYS A 1 5 ? -5.080 7.110 8.542 1.00 97.11 5 A 1 ATOM 34 C CA . LYS A 1 5 ? -4.675 7.686 7.260 1.00 97.28 5 A 1 ATOM 35 C C . LYS A 1 5 ? -3.210 7.377 6.973 1.00 97.28 5 A 1 ATOM 36 O O . LYS A 1 5 ? -2.833 7.101 5.836 1.00 97.07 5 A 1 ATOM 37 C CB . LYS A 1 5 ? -4.890 9.199 7.270 1.00 96.67 5 A 1 ATOM 38 C CG . LYS A 1 5 ? -6.356 9.602 7.342 1.00 89.58 5 A 1 ATOM 39 C CD . LYS A 1 5 ? -7.124 9.141 6.122 1.00 86.07 5 A 1 ATOM 40 C CE . LYS A 1 5 ? -6.653 9.840 4.851 1.00 78.41 5 A 1 ATOM 41 N NZ . LYS A 1 5 ? -6.902 11.299 4.903 1.00 71.14 5 A 1 ATOM 42 N N . LYS A 1 6 ? -2.398 7.420 8.026 1.00 97.59 6 A 1 ATOM 43 C CA . LYS A 1 6 ? -0.977 7.127 7.892 1.00 97.59 6 A 1 ATOM 44 C C . LYS A 1 6 ? -0.763 5.665 7.526 1.00 97.77 6 A 1 ATOM 45 O O . LYS A 1 6 ? 0.081 5.342 6.691 1.00 97.34 6 A 1 ATOM 46 C CB . LYS A 1 6 ? -0.261 7.455 9.199 1.00 97.07 6 A 1 ATOM 47 C CG . LYS A 1 6 ? 1.253 7.308 9.121 1.00 91.51 6 A 1 ATOM 48 C CD . LYS A 1 6 ? 1.854 8.333 8.186 1.00 85.72 6 A 1 ATOM 49 C CE . LYS A 1 6 ? 3.374 8.274 8.204 1.00 81.72 6 A 1 ATOM 50 N NZ . LYS A 1 6 ? 3.971 9.335 7.353 1.00 73.46 6 A 1 ATOM 51 N N . SER A 1 7 ? -1.535 4.782 8.157 1.00 97.47 7 A 1 ATOM 52 C CA . SER A 1 7 ? -1.419 3.348 7.924 1.00 97.51 7 A 1 ATOM 53 C C . SER A 1 7 ? -1.791 2.983 6.494 1.00 97.84 7 A 1 ATOM 54 O O . SER A 1 7 ? -1.044 2.286 5.812 1.00 97.30 7 A 1 ATOM 55 C CB . SER A 1 7 ? -2.306 2.580 8.901 1.00 96.99 7 A 1 ATOM 56 O OG . SER A 1 7 ? -1.915 2.847 10.239 1.00 86.99 7 A 1 ATOM 57 N N . LEU A 1 8 ? -2.954 3.458 6.037 1.00 97.49 8 A 1 ATOM 58 C CA . LEU A 1 8 ? -3.403 3.145 4.687 1.00 97.73 8 A 1 ATOM 59 C C . LEU A 1 8 ? -2.478 3.757 3.641 1.00 98.04 8 A 1 ATOM 60 O O . LEU A 1 8 ? -2.333 3.222 2.540 1.00 97.93 8 A 1 ATOM 61 C CB . LEU A 1 8 ? -4.852 3.607 4.483 1.00 97.65 8 A 1 ATOM 62 C CG . LEU A 1 8 ? -5.083 5.118 4.561 1.00 92.92 8 A 1 ATOM 63 C CD1 . LEU A 1 8 ? -4.843 5.787 3.218 1.00 88.37 8 A 1 ATOM 64 C CD2 . LEU A 1 8 ? -6.511 5.397 5.021 1.00 90.23 8 A 1 ATOM 65 N N . PHE A 1 9 ? -1.864 4.880 3.983 1.00 97.53 9 A 1 ATOM 66 C CA . PHE A 1 9 ? -0.930 5.532 3.075 1.00 97.50 9 A 1 ATOM 67 C C . PHE A 1 9 ? 0.299 4.659 2.864 1.00 97.72 9 A 1 ATOM 68 O O . PHE A 1 9 ? 0.792 4.522 1.746 1.00 97.52 9 A 1 ATOM 69 C CB . PHE A 1 9 ? -0.514 6.896 3.625 1.00 97.27 9 A 1 ATOM 70 C CG . PHE A 1 9 ? 0.320 7.699 2.657 1.00 95.32 9 A 1 ATOM 71 C CD1 . PHE A 1 9 ? -0.275 8.359 1.595 1.00 91.89 9 A 1 ATOM 72 C CD2 . PHE A 1 9 ? 1.691 7.774 2.812 1.00 93.13 9 A 1 ATOM 73 C CE1 . PHE A 1 9 ? 0.486 9.093 0.700 1.00 91.73 9 A 1 ATOM 74 C CE2 . PHE A 1 9 ? 2.463 8.504 1.913 1.00 92.38 9 A 1 ATOM 75 C CZ . PHE A 1 9 ? 1.860 9.162 0.859 1.00 92.39 9 A 1 ATOM 76 N N . LEU A 1 10 ? 0.779 4.051 3.946 1.00 97.90 10 A 1 ATOM 77 C CA . LEU A 1 10 ? 1.933 3.163 3.872 1.00 97.86 10 A 1 ATOM 78 C C . LEU A 1 10 ? 1.608 1.929 3.044 1.00 98.05 10 A 1 ATOM 79 O O . LEU A 1 10 ? 2.429 1.462 2.253 1.00 97.93 10 A 1 ATOM 80 C CB . LEU A 1 10 ? 2.366 2.748 5.279 1.00 97.71 10 A 1 ATOM 81 C CG . LEU A 1 10 ? 2.900 3.888 6.142 1.00 92.93 10 A 1 ATOM 82 C CD1 . LEU A 1 10 ? 3.163 3.397 7.557 1.00 89.00 10 A 1 ATOM 83 C CD2 . LEU A 1 10 ? 4.168 4.467 5.537 1.00 90.95 10 A 1 ATOM 84 N N . VAL A 1 11 ? 0.404 1.402 3.227 1.00 98.27 11 A 1 ATOM 85 C CA . VAL A 1 11 ? -0.045 0.237 2.472 1.00 98.13 11 A 1 ATOM 86 C C . VAL A 1 11 ? -0.142 0.576 0.992 1.00 98.19 11 A 1 ATOM 87 O O . VAL A 1 11 ? 0.182 -0.245 0.130 1.00 97.84 11 A 1 ATOM 88 C CB . VAL A 1 11 ? -1.407 -0.262 2.979 1.00 97.74 11 A 1 ATOM 89 C CG1 . VAL A 1 11 ? -1.905 -1.432 2.137 1.00 95.80 11 A 1 ATOM 90 C CG2 . VAL A 1 11 ? -1.305 -0.676 4.435 1.00 95.63 11 A 1 ATOM 91 N N . LEU A 1 12 ? -0.587 1.784 0.705 1.00 98.14 12 A 1 ATOM 92 C CA . LEU A 1 12 ? -0.699 2.246 -0.674 1.00 98.03 12 A 1 ATOM 93 C C . LEU A 1 12 ? 0.661 2.230 -1.359 1.00 98.23 12 A 1 ATOM 94 O O . LEU A 1 12 ? 0.792 1.770 -2.495 1.00 98.14 12 A 1 ATOM 95 C CB . LEU A 1 12 ? -1.276 3.661 -0.710 1.00 97.96 12 A 1 ATOM 96 C CG . LEU A 1 12 ? -1.425 4.251 -2.114 1.00 93.43 12 A 1 ATOM 97 C CD1 . LEU A 1 12 ? -2.402 3.425 -2.938 1.00 89.70 12 A 1 ATOM 98 C CD2 . LEU A 1 12 ? -1.884 5.693 -2.034 1.00 91.52 12 A 1 ATOM 99 N N . LEU A 1 13 ? 1.670 2.715 -0.656 1.00 97.94 13 A 1 ATOM 100 C CA . LEU A 1 13 ? 3.026 2.743 -1.183 1.00 97.90 13 A 1 ATOM 101 C C . LEU A 1 13 ? 3.539 1.331 -1.409 1.00 98.08 13 A 1 ATOM 102 O O . LEU A 1 13 ? 4.201 1.052 -2.414 1.00 97.96 13 A 1 ATOM 103 C CB . LEU A 1 13 ? 3.951 3.487 -0.217 1.00 97.74 13 A 1 ATOM 104 C CG . LEU A 1 13 ? 3.614 4.963 -0.016 1.00 92.74 13 A 1 ATOM 105 C CD1 . LEU A 1 13 ? 4.544 5.576 1.026 1.00 89.37 13 A 1 ATOM 106 C CD2 . LEU A 1 13 ? 3.721 5.720 -1.332 1.00 91.07 13 A 1 ATOM 107 N N . LEU A 1 14 ? 3.223 0.433 -0.480 1.00 98.26 14 A 1 ATOM 108 C CA . LEU A 1 14 ? 3.630 -0.961 -0.585 1.00 98.03 14 A 1 ATOM 109 C C . LEU A 1 14 ? 3.034 -1.603 -1.828 1.00 98.18 14 A 1 ATOM 110 O O . LEU A 1 14 ? 3.700 -2.368 -2.527 1.00 97.78 14 A 1 ATOM 111 C CB . LEU A 1 14 ? 3.189 -1.731 0.660 1.00 97.58 14 A 1 ATOM 112 C CG . LEU A 1 14 ? 3.605 -3.202 0.683 1.00 93.25 14 A 1 ATOM 113 C CD1 . LEU A 1 14 ? 5.120 -3.334 0.659 1.00 89.43 14 A 1 ATOM 114 C CD2 . LEU A 1 14 ? 3.031 -3.891 1.910 1.00 90.65 14 A 1 ATOM 115 N N . GLY A 1 15 ? 1.775 -1.284 -2.105 1.00 98.27 15 A 1 ATOM 116 C CA . GLY A 1 15 ? 1.106 -1.816 -3.284 1.00 98.16 15 A 1 ATOM 117 C C . GLY A 1 15 ? 1.772 -1.355 -4.562 1.00 98.31 15 A 1 ATOM 118 O O . GLY A 1 15 ? 1.951 -2.135 -5.499 1.00 97.90 15 A 1 ATOM 119 N N . LEU A 1 16 ? 2.149 -0.088 -4.604 1.00 98.13 16 A 1 ATOM 120 C CA . LEU A 1 16 ? 2.816 0.477 -5.769 1.00 98.07 16 A 1 ATOM 121 C C . LEU A 1 16 ? 4.166 -0.186 -5.993 1.00 98.16 16 A 1 ATOM 122 O O . LEU A 1 16 ? 4.564 -0.442 -7.131 1.00 97.58 16 A 1 ATOM 123 C CB . LEU A 1 16 ? 3.002 1.985 -5.590 1.00 97.72 16 A 1 ATOM 124 C CG . LEU A 1 16 ? 1.697 2.779 -5.526 1.00 94.30 16 A 1 ATOM 125 C CD1 . LEU A 1 16 ? 1.984 4.242 -5.218 1.00 90.29 16 A 1 ATOM 126 C CD2 . LEU A 1 16 ? 0.928 2.648 -6.829 1.00 90.44 16 A 1 ATOM 127 N N . ILE A 1 17 ? 4.865 -0.476 -4.904 1.00 98.18 17 A 1 ATOM 128 C CA . ILE A 1 17 ? 6.164 -1.137 -4.975 1.00 97.91 17 A 1 ATOM 129 C C . ILE A 1 17 ? 6.009 -2.537 -5.550 1.00 97.97 17 A 1 ATOM 130 O O . ILE A 1 17 ? 6.821 -2.986 -6.359 1.00 97.48 17 A 1 ATOM 131 C CB . ILE A 1 17 ? 6.823 -1.207 -3.587 1.00 97.50 17 A 1 ATOM 132 C CG1 . ILE A 1 17 ? 7.127 0.202 -3.067 1.00 95.30 17 A 1 ATOM 133 C CG2 . ILE A 1 17 ? 8.103 -2.032 -3.648 1.00 94.10 17 A 1 ATOM 134 C CD1 . ILE A 1 17 ? 7.549 0.237 -1.612 1.00 90.77 17 A 1 ATOM 135 N N . SER A 1 18 ? 4.947 -3.229 -5.136 1.00 98.19 18 A 1 ATOM 136 C CA . SER A 1 18 ? 4.678 -4.579 -5.618 1.00 98.13 18 A 1 ATOM 137 C C . SER A 1 18 ? 4.488 -4.588 -7.132 1.00 98.10 18 A 1 ATOM 138 O O . SER A 1 18 ? 4.955 -5.490 -7.826 1.00 97.27 18 A 1 ATOM 139 C CB . SER A 1 18 ? 3.440 -5.150 -4.937 1.00 97.61 18 A 1 ATOM 140 O OG . SER A 1 18 ? 3.623 -5.217 -3.535 1.00 91.20 18 A 1 ATOM 141 N N . LEU A 1 19 ? 3.805 -3.576 -7.644 1.00 97.90 19 A 1 ATOM 142 C CA . LEU A 1 19 ? 3.578 -3.454 -9.080 1.00 97.58 19 A 1 ATOM 143 C C . LEU A 1 19 ? 4.875 -3.142 -9.815 1.00 97.66 19 A 1 ATOM 144 O O . LEU A 1 19 ? 5.056 -3.538 -10.969 1.00 96.82 19 A 1 ATOM 145 C CB . LEU A 1 19 ? 2.550 -2.357 -9.356 1.00 96.95 19 A 1 ATOM 146 C CG . LEU A 1 19 ? 1.158 -2.626 -8.786 1.00 92.48 19 A 1 ATOM 147 C CD1 . LEU A 1 19 ? 0.256 -1.423 -9.016 1.00 87.44 19 A 1 ATOM 148 C CD2 . LEU A 1 19 ? 0.559 -3.873 -9.411 1.00 87.94 19 A 1 ATOM 149 N N . SER A 1 20 ? 5.770 -2.443 -9.140 1.00 96.68 20 A 1 ATOM 150 C CA . SER A 1 20 ? 7.054 -2.068 -9.726 1.00 96.47 20 A 1 ATOM 151 C C . SER A 1 20 ? 7.976 -3.271 -9.895 1.00 96.25 20 A 1 ATOM 152 O O . SER A 1 20 ? 8.843 -3.284 -10.768 1.00 94.18 20 A 1 ATOM 153 C CB . SER A 1 20 ? 7.745 -1.017 -8.861 1.00 94.99 20 A 1 ATOM 154 O OG . SER A 1 20 ? 8.955 -0.604 -9.448 1.00 85.70 20 A 1 ATOM 155 N N . ILE A 1 21 ? 7.781 -4.294 -9.055 1.00 96.12 21 A 1 ATOM 156 C CA . ILE A 1 21 ? 8.616 -5.493 -9.100 1.00 95.52 21 A 1 ATOM 157 C C . ILE A 1 21 ? 7.906 -6.639 -9.801 1.00 95.03 21 A 1 ATOM 158 O O . ILE A 1 21 ? 8.269 -7.805 -9.632 1.00 92.62 21 A 1 ATOM 159 C CB . ILE A 1 21 ? 9.031 -5.937 -7.687 1.00 93.83 21 A 1 ATOM 160 C CG1 . ILE A 1 21 ? 7.799 -6.286 -6.854 1.00 88.77 21 A 1 ATOM 161 C CG2 . ILE A 1 21 ? 9.845 -4.846 -7.016 1.00 86.25 21 A 1 ATOM 162 C CD1 . ILE A 1 21 ? 8.125 -6.832 -5.473 1.00 81.95 21 A 1 ATOM 163 N N . CYS A 1 22 ? 6.887 -6.308 -10.602 1.00 94.06 22 A 1 ATOM 164 C CA . CYS A 1 22 ? 6.107 -7.319 -11.300 1.00 91.96 22 A 1 ATOM 165 C C . CYS A 1 22 ? 6.928 -7.929 -12.433 1.00 90.24 22 A 1 ATOM 166 O O . CYS A 1 22 ? 6.790 -9.132 -12.686 1.00 85.53 22 A 1 ATOM 167 C CB . CYS A 1 22 ? 4.812 -6.717 -11.858 1.00 85.57 22 A 1 ATOM 168 S SG . CYS A 1 22 ? 5.086 -5.465 -13.127 1.00 77.00 22 A 1 ATOM 169 O OXT . CYS A 1 22 ? 7.687 -7.189 -13.083 1.00 73.87 22 A 1 #