# 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_spkb20790 # _entry.id spkb20790 # 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 SER 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 PHE 16 1 n VAL 17 1 n SER 18 1 n VAL 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 @ 2025-07-02 11:18:39)" _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 89.78 _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 76.86 1 1 A ALA 2 2 89.42 1 2 A SER 3 2 89.16 1 3 A LEU 4 2 86.54 1 4 A LYS 5 2 84.83 1 5 A LYS 6 2 85.98 1 6 A SER 7 2 91.70 1 7 A LEU 8 2 90.79 1 8 A PHE 9 2 89.99 1 9 A LEU 10 2 92.09 1 10 A VAL 11 2 95.84 1 11 A LEU 12 2 93.03 1 12 A LEU 13 2 92.07 1 13 A LEU 14 2 93.62 1 14 A GLY 15 2 96.42 1 15 A PHE 16 2 91.65 1 16 A VAL 17 2 94.61 1 17 A SER 18 2 94.11 1 18 A VAL 19 2 93.16 1 19 A SER 20 2 90.78 1 20 A ILE 21 2 87.46 1 21 A CYS 22 2 80.98 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 SER . 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 PHE . 16 A 16 A 17 1 n VAL . 17 A 17 A 18 1 n SER . 18 A 18 A 19 1 n VAL . 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 ? -9.654 2.771 15.877 1.00 83.75 1 A 1 ATOM 2 C CA . MET A 1 1 ? -8.353 3.462 15.862 1.00 86.44 1 A 1 ATOM 3 C C . MET A 1 1 ? -8.085 4.085 14.502 1.00 86.39 1 A 1 ATOM 4 O O . MET A 1 1 ? -8.207 3.411 13.484 1.00 79.21 1 A 1 ATOM 5 C CB . MET A 1 1 ? -7.211 2.496 16.184 1.00 78.99 1 A 1 ATOM 6 C CG . MET A 1 1 ? -7.288 1.927 17.590 1.00 72.89 1 A 1 ATOM 7 S SD . MET A 1 1 ? -5.946 0.780 17.931 1.00 66.36 1 A 1 ATOM 8 C CE . MET A 1 1 ? -6.288 0.383 19.635 1.00 60.83 1 A 1 ATOM 9 N N . ALA A 1 2 ? -7.718 5.361 14.502 1.00 88.64 2 A 1 ATOM 10 C CA . ALA A 1 2 ? -7.415 6.063 13.256 1.00 90.83 2 A 1 ATOM 11 C C . ALA A 1 2 ? -6.062 5.633 12.698 1.00 92.03 2 A 1 ATOM 12 O O . ALA A 1 2 ? -5.807 5.742 11.499 1.00 88.75 2 A 1 ATOM 13 C CB . ALA A 1 2 ? -7.417 7.566 13.500 1.00 86.84 2 A 1 ATOM 14 N N . SER A 1 3 ? -5.198 5.141 13.582 1.00 90.92 3 A 1 ATOM 15 C CA . SER A 1 3 ? -3.865 4.698 13.192 1.00 92.68 3 A 1 ATOM 16 C C . SER A 1 3 ? -3.922 3.493 12.264 1.00 93.74 3 A 1 ATOM 17 O O . SER A 1 3 ? -3.038 3.294 11.434 1.00 91.19 3 A 1 ATOM 18 C CB . SER A 1 3 ? -3.040 4.346 14.429 1.00 88.91 3 A 1 ATOM 19 O OG . SER A 1 3 ? -3.668 3.349 15.193 1.00 77.51 3 A 1 ATOM 20 N N . LEU A 1 4 ? -4.972 2.685 12.407 1.00 91.96 4 A 1 ATOM 21 C CA . LEU A 1 4 ? -5.133 1.507 11.565 1.00 92.73 4 A 1 ATOM 22 C C . LEU A 1 4 ? -5.328 1.906 10.113 1.00 94.02 4 A 1 ATOM 23 O O . LEU A 1 4 ? -4.711 1.332 9.208 1.00 92.28 4 A 1 ATOM 24 C CB . LEU A 1 4 ? -6.322 0.671 12.038 1.00 90.90 4 A 1 ATOM 25 C CG . LEU A 1 4 ? -6.559 -0.598 11.224 1.00 79.90 4 A 1 ATOM 26 C CD1 . LEU A 1 4 ? -5.348 -1.516 11.306 1.00 75.36 4 A 1 ATOM 27 C CD2 . LEU A 1 4 ? -7.805 -1.313 11.725 1.00 75.15 4 A 1 ATOM 28 N N . LYS A 1 5 ? -6.194 2.895 9.894 1.00 93.58 5 A 1 ATOM 29 C CA . LYS A 1 5 ? -6.451 3.382 8.543 1.00 94.48 5 A 1 ATOM 30 C C . LYS A 1 5 ? -5.201 4.026 7.964 1.00 94.47 5 A 1 ATOM 31 O O . LYS A 1 5 ? -4.888 3.852 6.786 1.00 93.83 5 A 1 ATOM 32 C CB . LYS A 1 5 ? -7.595 4.389 8.562 1.00 92.62 5 A 1 ATOM 33 C CG . LYS A 1 5 ? -7.987 4.884 7.178 1.00 82.81 5 A 1 ATOM 34 C CD . LYS A 1 5 ? -8.498 3.753 6.313 1.00 79.21 5 A 1 ATOM 35 C CE . LYS A 1 5 ? -8.795 4.230 4.901 1.00 69.84 5 A 1 ATOM 36 N NZ . LYS A 1 5 ? -9.785 5.343 4.883 1.00 62.65 5 A 1 ATOM 37 N N . LYS A 1 6 ? -4.490 4.767 8.804 1.00 94.40 6 A 1 ATOM 38 C CA . LYS A 1 6 ? -3.261 5.430 8.378 1.00 94.90 6 A 1 ATOM 39 C C . LYS A 1 6 ? -2.202 4.408 7.991 1.00 95.52 6 A 1 ATOM 40 O O . LYS A 1 6 ? -1.525 4.560 6.974 1.00 94.52 6 A 1 ATOM 41 C CB . LYS A 1 6 ? -2.732 6.325 9.493 1.00 93.58 6 A 1 ATOM 42 C CG . LYS A 1 6 ? -1.477 7.081 9.101 1.00 84.86 6 A 1 ATOM 43 C CD . LYS A 1 6 ? -0.989 7.965 10.230 1.00 79.57 6 A 1 ATOM 44 C CE . LYS A 1 6 ? 0.277 8.715 9.838 1.00 71.93 6 A 1 ATOM 45 N NZ . LYS A 1 6 ? 0.755 9.591 10.936 1.00 64.55 6 A 1 ATOM 46 N N . SER A 1 7 ? -2.063 3.364 8.802 1.00 94.41 7 A 1 ATOM 47 C CA . SER A 1 7 ? -1.085 2.316 8.543 1.00 94.54 7 A 1 ATOM 48 C C . SER A 1 7 ? -1.387 1.606 7.230 1.00 95.74 7 A 1 ATOM 49 O O . SER A 1 7 ? -0.490 1.348 6.431 1.00 94.57 7 A 1 ATOM 50 C CB . SER A 1 7 ? -1.078 1.301 9.682 1.00 93.28 7 A 1 ATOM 51 O OG . SER A 1 7 ? -0.724 1.928 10.903 1.00 77.65 7 A 1 ATOM 52 N N . LEU A 1 8 ? -2.662 1.306 7.016 1.00 94.42 8 A 1 ATOM 53 C CA . LEU A 1 8 ? -3.080 0.647 5.787 1.00 95.08 8 A 1 ATOM 54 C C . LEU A 1 8 ? -2.762 1.509 4.574 1.00 96.13 8 A 1 ATOM 55 O O . LEU A 1 8 ? -2.319 1.007 3.537 1.00 95.69 8 A 1 ATOM 56 C CB . LEU A 1 8 ? -4.578 0.358 5.837 1.00 94.93 8 A 1 ATOM 57 C CG . LEU A 1 8 ? -5.120 -0.353 4.601 1.00 86.87 8 A 1 ATOM 58 C CD1 . LEU A 1 8 ? -4.457 -1.707 4.426 1.00 80.45 8 A 1 ATOM 59 C CD2 . LEU A 1 8 ? -6.630 -0.508 4.700 1.00 82.78 8 A 1 ATOM 60 N N . PHE A 1 9 ? -2.993 2.808 4.714 1.00 92.48 9 A 1 ATOM 61 C CA . PHE A 1 9 ? -2.718 3.750 3.637 1.00 93.14 9 A 1 ATOM 62 C C . PHE A 1 9 ? -1.231 3.785 3.308 1.00 94.28 9 A 1 ATOM 63 O O . PHE A 1 9 ? -0.845 3.814 2.140 1.00 93.86 9 A 1 ATOM 64 C CB . PHE A 1 9 ? -3.195 5.147 4.031 1.00 93.32 9 A 1 ATOM 65 C CG . PHE A 1 9 ? -3.052 6.156 2.921 1.00 90.96 9 A 1 ATOM 66 C CD1 . PHE A 1 9 ? -3.915 6.148 1.844 1.00 85.83 9 A 1 ATOM 67 C CD2 . PHE A 1 9 ? -2.042 7.101 2.965 1.00 87.87 9 A 1 ATOM 68 C CE1 . PHE A 1 9 ? -3.785 7.072 0.822 1.00 85.30 9 A 1 ATOM 69 C CE2 . PHE A 1 9 ? -1.902 8.030 1.941 1.00 86.82 9 A 1 ATOM 70 C CZ . PHE A 1 9 ? -2.773 8.014 0.872 1.00 85.98 9 A 1 ATOM 71 N N . LEU A 1 10 ? -0.397 3.768 4.340 1.00 95.83 10 A 1 ATOM 72 C CA . LEU A 1 10 ? 1.050 3.786 4.151 1.00 95.60 10 A 1 ATOM 73 C C . LEU A 1 10 ? 1.528 2.526 3.443 1.00 96.15 10 A 1 ATOM 74 O O . LEU A 1 10 ? 2.403 2.581 2.577 1.00 96.08 10 A 1 ATOM 75 C CB . LEU A 1 10 ? 1.755 3.916 5.502 1.00 95.53 10 A 1 ATOM 76 C CG . LEU A 1 10 ? 1.535 5.251 6.209 1.00 88.58 10 A 1 ATOM 77 C CD1 . LEU A 1 10 ? 2.189 5.231 7.582 1.00 83.42 10 A 1 ATOM 78 C CD2 . LEU A 1 10 ? 2.080 6.397 5.377 1.00 85.51 10 A 1 ATOM 79 N N . VAL A 1 11 ? 0.950 1.389 3.815 1.00 97.33 11 A 1 ATOM 80 C CA . VAL A 1 11 ? 1.301 0.120 3.185 1.00 97.03 11 A 1 ATOM 81 C C . VAL A 1 11 ? 0.925 0.141 1.712 1.00 97.14 11 A 1 ATOM 82 O O . VAL A 1 11 ? 1.654 -0.379 0.862 1.00 96.40 11 A 1 ATOM 83 C CB . VAL A 1 11 ? 0.601 -1.056 3.883 1.00 96.38 11 A 1 ATOM 84 C CG1 . VAL A 1 11 ? 0.860 -2.362 3.142 1.00 93.45 11 A 1 ATOM 85 C CG2 . VAL A 1 11 ? 1.078 -1.172 5.319 1.00 93.12 11 A 1 ATOM 86 N N . LEU A 1 12 ? -0.209 0.745 1.421 1.00 96.86 12 A 1 ATOM 87 C CA . LEU A 1 12 ? -0.665 0.864 0.041 1.00 96.59 12 A 1 ATOM 88 C C . LEU A 1 12 ? 0.329 1.668 -0.786 1.00 96.88 12 A 1 ATOM 89 O O . LEU A 1 12 ? 0.658 1.297 -1.916 1.00 96.65 12 A 1 ATOM 90 C CB . LEU A 1 12 ? -2.033 1.538 0.001 1.00 96.55 12 A 1 ATOM 91 C CG . LEU A 1 12 ? -2.607 1.709 -1.403 1.00 89.16 12 A 1 ATOM 92 C CD1 . LEU A 1 12 ? -2.805 0.354 -2.066 1.00 84.63 12 A 1 ATOM 93 C CD2 . LEU A 1 12 ? -3.916 2.472 -1.346 1.00 86.89 12 A 1 ATOM 94 N N . LEU A 1 13 ? 0.819 2.758 -0.208 1.00 96.03 13 A 1 ATOM 95 C CA . LEU A 1 13 ? 1.797 3.603 -0.879 1.00 95.63 13 A 1 ATOM 96 C C . LEU A 1 13 ? 3.104 2.855 -1.084 1.00 95.91 13 A 1 ATOM 97 O O . LEU A 1 13 ? 3.758 2.998 -2.121 1.00 95.71 13 A 1 ATOM 98 C CB . LEU A 1 13 ? 2.051 4.872 -0.060 1.00 95.47 13 A 1 ATOM 99 C CG . LEU A 1 13 ? 0.851 5.809 0.065 1.00 88.19 13 A 1 ATOM 100 C CD1 . LEU A 1 13 ? 1.211 7.000 0.944 1.00 83.77 13 A 1 ATOM 101 C CD2 . LEU A 1 13 ? 0.388 6.280 -1.307 1.00 85.89 13 A 1 ATOM 102 N N . LEU A 1 14 ? 3.481 2.052 -0.098 1.00 97.26 14 A 1 ATOM 103 C CA . LEU A 1 14 ? 4.704 1.264 -0.175 1.00 96.82 14 A 1 ATOM 104 C C . LEU A 1 14 ? 4.638 0.290 -1.341 1.00 97.04 14 A 1 ATOM 105 O O . LEU A 1 14 ? 5.610 0.113 -2.076 1.00 96.24 14 A 1 ATOM 106 C CB . LEU A 1 14 ? 4.916 0.498 1.131 1.00 96.11 14 A 1 ATOM 107 C CG . LEU A 1 14 ? 6.183 -0.361 1.167 1.00 91.20 14 A 1 ATOM 108 C CD1 . LEU A 1 14 ? 7.423 0.499 0.991 1.00 86.57 14 A 1 ATOM 109 C CD2 . LEU A 1 14 ? 6.255 -1.139 2.470 1.00 87.72 14 A 1 ATOM 110 N N . GLY A 1 15 ? 3.487 -0.347 -1.501 1.00 96.78 15 A 1 ATOM 111 C CA . GLY A 1 15 ? 3.300 -1.271 -2.611 1.00 96.42 15 A 1 ATOM 112 C C . GLY A 1 15 ? 3.355 -0.556 -3.943 1.00 96.72 15 A 1 ATOM 113 O O . GLY A 1 15 ? 3.917 -1.068 -4.916 1.00 95.77 15 A 1 ATOM 114 N N . PHE A 1 16 ? 2.778 0.635 -3.986 1.00 96.09 16 A 1 ATOM 115 C CA . PHE A 1 16 ? 2.759 1.432 -5.207 1.00 96.06 16 A 1 ATOM 116 C C . PHE A 1 16 ? 4.165 1.819 -5.642 1.00 96.43 16 A 1 ATOM 117 O O . PHE A 1 16 ? 4.515 1.700 -6.817 1.00 95.18 16 A 1 ATOM 118 C CB . PHE A 1 16 ? 1.917 2.689 -5.002 1.00 95.21 16 A 1 ATOM 119 C CG . PHE A 1 16 ? 1.820 3.538 -6.242 1.00 91.40 16 A 1 ATOM 120 C CD1 . PHE A 1 16 ? 0.958 3.193 -7.266 1.00 87.95 16 A 1 ATOM 121 C CD2 . PHE A 1 16 ? 2.603 4.670 -6.377 1.00 88.60 16 A 1 ATOM 122 C CE1 . PHE A 1 16 ? 0.870 3.968 -8.412 1.00 86.80 16 A 1 ATOM 123 C CE2 . PHE A 1 16 ? 2.524 5.451 -7.526 1.00 87.04 16 A 1 ATOM 124 C CZ . PHE A 1 16 ? 1.656 5.099 -8.542 1.00 87.35 16 A 1 ATOM 125 N N . VAL A 1 17 ? 4.980 2.275 -4.690 1.00 96.96 17 A 1 ATOM 126 C CA . VAL A 1 17 ? 6.347 2.683 -5.018 1.00 96.43 17 A 1 ATOM 127 C C . VAL A 1 17 ? 7.181 1.483 -5.449 1.00 96.51 17 A 1 ATOM 128 O O . VAL A 1 17 ? 8.079 1.608 -6.278 1.00 95.20 17 A 1 ATOM 129 C CB . VAL A 1 17 ? 7.031 3.394 -3.832 1.00 95.36 17 A 1 ATOM 130 C CG1 . VAL A 1 17 ? 6.291 4.674 -3.477 1.00 90.81 17 A 1 ATOM 131 C CG2 . VAL A 1 17 ? 7.119 2.484 -2.624 1.00 91.02 17 A 1 ATOM 132 N N . SER A 1 18 ? 6.877 0.315 -4.888 1.00 96.72 18 A 1 ATOM 133 C CA . SER A 1 18 ? 7.581 -0.909 -5.253 1.00 96.64 18 A 1 ATOM 134 C C . SER A 1 18 ? 7.351 -1.235 -6.724 1.00 96.47 18 A 1 ATOM 135 O O . SER A 1 18 ? 8.271 -1.633 -7.439 1.00 94.71 18 A 1 ATOM 136 C CB . SER A 1 18 ? 7.116 -2.072 -4.385 1.00 95.46 18 A 1 ATOM 137 O OG . SER A 1 18 ? 7.405 -1.832 -3.023 1.00 84.65 18 A 1 ATOM 138 N N . VAL A 1 19 ? 6.120 -1.059 -7.169 1.00 96.64 19 A 1 ATOM 139 C CA . VAL A 1 19 ? 5.778 -1.291 -8.569 1.00 96.09 19 A 1 ATOM 140 C C . VAL A 1 19 ? 6.422 -0.239 -9.463 1.00 95.91 19 A 1 ATOM 141 O O . VAL A 1 19 ? 6.837 -0.529 -10.589 1.00 93.77 19 A 1 ATOM 142 C CB . VAL A 1 19 ? 4.257 -1.275 -8.771 1.00 94.47 19 A 1 ATOM 143 C CG1 . VAL A 1 19 ? 3.906 -1.448 -10.242 1.00 87.37 19 A 1 ATOM 144 C CG2 . VAL A 1 19 ? 3.605 -2.362 -7.940 1.00 87.87 19 A 1 ATOM 145 N N . SER A 1 20 ? 6.515 0.973 -8.936 1.00 94.38 20 A 1 ATOM 146 C CA . SER A 1 20 ? 7.088 2.086 -9.686 1.00 94.10 20 A 1 ATOM 147 C C . SER A 1 20 ? 8.567 1.866 -9.996 1.00 93.50 20 A 1 ATOM 148 O O . SER A 1 20 ? 9.045 2.208 -11.075 1.00 90.94 20 A 1 ATOM 149 C CB . SER A 1 20 ? 6.929 3.391 -8.911 1.00 92.13 20 A 1 ATOM 150 O OG . SER A 1 20 ? 7.418 4.475 -9.665 1.00 79.63 20 A 1 ATOM 151 N N . ILE A 1 21 ? 9.291 1.290 -9.033 1.00 93.92 21 A 1 ATOM 152 C CA . ILE A 1 21 ? 10.719 1.049 -9.209 1.00 93.19 21 A 1 ATOM 153 C C . ILE A 1 21 ? 10.982 -0.206 -10.024 1.00 92.70 21 A 1 ATOM 154 O O . ILE A 1 21 ? 12.088 -0.415 -10.516 1.00 89.47 21 A 1 ATOM 155 C CB . ILE A 1 21 ? 11.438 0.924 -7.852 1.00 90.59 21 A 1 ATOM 156 C CG1 . ILE A 1 21 ? 10.894 -0.261 -7.063 1.00 84.06 21 A 1 ATOM 157 C CG2 . ILE A 1 21 ? 11.285 2.215 -7.066 1.00 80.45 21 A 1 ATOM 158 C CD1 . ILE A 1 21 ? 11.599 -0.498 -5.737 1.00 75.26 21 A 1 ATOM 159 N N . CYS A 1 22 ? 9.969 -1.028 -10.153 1.00 91.54 22 A 1 ATOM 160 C CA . CYS A 1 22 ? 10.092 -2.281 -10.884 1.00 89.18 22 A 1 ATOM 161 C C . CYS A 1 22 ? 9.967 -2.039 -12.385 1.00 87.24 22 A 1 ATOM 162 O O . CYS A 1 22 ? 10.750 -2.620 -13.151 1.00 80.97 22 A 1 ATOM 163 C CB . CYS A 1 22 ? 9.033 -3.287 -10.421 1.00 80.36 22 A 1 ATOM 164 S SG . CYS A 1 22 ? 9.209 -4.897 -11.214 1.00 70.43 22 A 1 ATOM 165 O OXT . CYS A 1 22 ? 9.058 -1.268 -12.778 1.00 67.16 22 A 1 #