# 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_spkb22033 # _entry.id spkb22033 # 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" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[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" "C3 H7 N O3" 105.093 SER y SERINE C([C@@H](C(=O)O)N)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" "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 LYS 2 1 n VAL 3 1 n SER 4 1 n ALA 5 1 n VAL 6 1 n LEU 7 1 n LEU 8 1 n CYS 9 1 n LEU 10 1 n LEU 11 1 n LEU 12 1 n THR 13 1 n ALA 14 1 n THR 15 1 n LEU 16 1 n CYS 17 1 n SER 18 1 n ILE 19 1 n GLN 20 1 n VAL 21 1 n LEU 22 1 n ALA 23 # _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 00:06:49)" _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 91.89 _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 83.52 1 1 A LYS 2 2 84.11 1 2 A VAL 3 2 90.18 1 3 A SER 4 2 93.06 1 4 A ALA 5 2 95.37 1 5 A VAL 6 2 94.77 1 6 A LEU 7 2 92.92 1 7 A LEU 8 2 93.01 1 8 A CYS 9 2 94.03 1 9 A LEU 10 2 93.45 1 10 A LEU 11 2 93.42 1 11 A LEU 12 2 93.69 1 12 A THR 13 2 94.51 1 13 A ALA 14 2 96.92 1 14 A THR 15 2 94.28 1 15 A LEU 16 2 94.28 1 16 A CYS 17 2 93.34 1 17 A SER 18 2 94.23 1 18 A ILE 19 2 94.73 1 19 A GLN 20 2 89.02 1 20 A VAL 21 2 91.62 1 21 A LEU 22 2 89.57 1 22 A ALA 23 2 84.77 1 23 # _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 VAL . 3 A 3 A 4 1 n SER . 4 A 4 A 5 1 n ALA . 5 A 5 A 6 1 n VAL . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n CYS . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n THR . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n THR . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n CYS . 17 A 17 A 18 1 n SER . 18 A 18 A 19 1 n ILE . 19 A 19 A 20 1 n GLN . 20 A 20 A 21 1 n VAL . 21 A 21 A 22 1 n LEU . 22 A 22 A 23 1 n ALA . 23 A 23 # _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 ? 2.363 0.427 19.080 1.00 90.20 1 A 1 ATOM 2 C CA . MET A 1 1 ? 1.300 1.400 18.769 1.00 91.30 1 A 1 ATOM 3 C C . MET A 1 1 ? 1.732 2.236 17.563 1.00 92.24 1 A 1 ATOM 4 O O . MET A 1 1 ? 2.232 3.339 17.725 1.00 87.95 1 A 1 ATOM 5 C CB . MET A 1 1 ? 1.057 2.320 19.975 1.00 86.70 1 A 1 ATOM 6 C CG . MET A 1 1 ? 0.594 1.575 21.217 1.00 80.11 1 A 1 ATOM 7 S SD . MET A 1 1 ? 0.537 2.672 22.644 1.00 74.20 1 A 1 ATOM 8 C CE . MET A 1 1 ? 0.010 1.540 23.912 1.00 65.46 1 A 1 ATOM 9 N N . LYS A 1 2 ? 1.612 1.692 16.376 1.00 91.29 2 A 1 ATOM 10 C CA . LYS A 1 2 ? 1.974 2.407 15.153 1.00 92.55 2 A 1 ATOM 11 C C . LYS A 1 2 ? 0.796 2.325 14.180 1.00 92.70 2 A 1 ATOM 12 O O . LYS A 1 2 ? 0.829 1.563 13.220 1.00 91.28 2 A 1 ATOM 13 C CB . LYS A 1 2 ? 3.277 1.843 14.568 1.00 89.55 2 A 1 ATOM 14 C CG . LYS A 1 2 ? 4.494 1.995 15.492 1.00 80.90 2 A 1 ATOM 15 C CD . LYS A 1 2 ? 5.331 3.230 15.191 1.00 78.88 2 A 1 ATOM 16 C CE . LYS A 1 2 ? 6.521 3.275 16.138 1.00 73.44 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? 7.585 4.213 15.693 1.00 66.44 2 A 1 ATOM 18 N N . VAL A 1 3 ? -0.228 3.092 14.455 1.00 92.15 3 A 1 ATOM 19 C CA . VAL A 1 3 ? -1.406 3.179 13.580 1.00 93.12 3 A 1 ATOM 20 C C . VAL A 1 3 ? -0.992 3.616 12.171 1.00 94.51 3 A 1 ATOM 21 O O . VAL A 1 3 ? -1.583 3.186 11.183 1.00 93.00 3 A 1 ATOM 22 C CB . VAL A 1 3 ? -2.441 4.142 14.172 1.00 90.46 3 A 1 ATOM 23 C CG1 . VAL A 1 3 ? -3.744 4.073 13.404 1.00 83.33 3 A 1 ATOM 24 C CG2 . VAL A 1 3 ? -2.726 3.830 15.636 1.00 84.70 3 A 1 ATOM 25 N N . SER A 1 4 ? 0.084 4.397 12.081 1.00 95.37 4 A 1 ATOM 26 C CA . SER A 1 4 ? 0.665 4.814 10.804 1.00 95.44 4 A 1 ATOM 27 C C . SER A 1 4 ? 1.133 3.637 9.955 1.00 95.86 4 A 1 ATOM 28 O O . SER A 1 4 ? 1.010 3.687 8.738 1.00 95.79 4 A 1 ATOM 29 C CB . SER A 1 4 ? 1.844 5.751 11.045 1.00 94.03 4 A 1 ATOM 30 O OG . SER A 1 4 ? 1.407 6.925 11.689 1.00 81.87 4 A 1 ATOM 31 N N . ALA A 1 5 ? 1.658 2.580 10.569 1.00 94.75 5 A 1 ATOM 32 C CA . ALA A 1 5 ? 2.107 1.399 9.833 1.00 95.59 5 A 1 ATOM 33 C C . ALA A 1 5 ? 0.927 0.660 9.190 1.00 96.33 5 A 1 ATOM 34 O O . ALA A 1 5 ? 1.022 0.231 8.043 1.00 95.44 5 A 1 ATOM 35 C CB . ALA A 1 5 ? 2.891 0.482 10.774 1.00 94.74 5 A 1 ATOM 36 N N . VAL A 1 6 ? -0.187 0.561 9.902 1.00 95.87 6 A 1 ATOM 37 C CA . VAL A 1 6 ? -1.410 -0.058 9.377 1.00 96.06 6 A 1 ATOM 38 C C . VAL A 1 6 ? -1.968 0.775 8.223 1.00 96.43 6 A 1 ATOM 39 O O . VAL A 1 6 ? -2.321 0.228 7.179 1.00 95.71 6 A 1 ATOM 40 C CB . VAL A 1 6 ? -2.455 -0.232 10.491 1.00 95.69 6 A 1 ATOM 41 C CG1 . VAL A 1 6 ? -3.734 -0.863 9.960 1.00 91.65 6 A 1 ATOM 42 C CG2 . VAL A 1 6 ? -1.903 -1.111 11.611 1.00 91.95 6 A 1 ATOM 43 N N . LEU A 1 7 ? -1.987 2.082 8.390 1.00 94.71 7 A 1 ATOM 44 C CA . LEU A 1 7 ? -2.444 2.996 7.346 1.00 95.15 7 A 1 ATOM 45 C C . LEU A 1 7 ? -1.552 2.915 6.108 1.00 96.12 7 A 1 ATOM 46 O O . LEU A 1 7 ? -2.054 2.878 4.987 1.00 96.53 7 A 1 ATOM 47 C CB . LEU A 1 7 ? -2.467 4.427 7.899 1.00 95.68 7 A 1 ATOM 48 C CG . LEU A 1 7 ? -3.659 5.229 7.367 1.00 89.85 7 A 1 ATOM 49 C CD1 . LEU A 1 7 ? -4.823 5.159 8.349 1.00 86.77 7 A 1 ATOM 50 C CD2 . LEU A 1 7 ? -3.271 6.680 7.146 1.00 88.56 7 A 1 ATOM 51 N N . LEU A 1 8 ? -0.230 2.857 6.309 1.00 96.02 8 A 1 ATOM 52 C CA . LEU A 1 8 ? 0.740 2.723 5.226 1.00 95.43 8 A 1 ATOM 53 C C . LEU A 1 8 ? 0.558 1.401 4.485 1.00 96.23 8 A 1 ATOM 54 O O . LEU A 1 8 ? 0.569 1.381 3.259 1.00 96.36 8 A 1 ATOM 55 C CB . LEU A 1 8 ? 2.169 2.833 5.779 1.00 95.56 8 A 1 ATOM 56 C CG . LEU A 1 8 ? 3.077 3.702 4.900 1.00 89.51 8 A 1 ATOM 57 C CD1 . LEU A 1 8 ? 3.053 5.149 5.378 1.00 86.55 8 A 1 ATOM 58 C CD2 . LEU A 1 8 ? 4.508 3.188 4.939 1.00 88.41 8 A 1 ATOM 59 N N . CYS A 1 9 ? 0.377 0.302 5.218 1.00 94.99 9 A 1 ATOM 60 C CA . CYS A 1 9 ? 0.124 -1.009 4.621 1.00 95.17 9 A 1 ATOM 61 C C . CYS A 1 9 ? -1.163 -1.002 3.791 1.00 95.87 9 A 1 ATOM 62 O O . CYS A 1 9 ? -1.190 -1.536 2.687 1.00 95.03 9 A 1 ATOM 63 C CB . CYS A 1 9 ? 0.037 -2.074 5.724 1.00 94.15 9 A 1 ATOM 64 S SG . CYS A 1 9 ? 1.676 -2.669 6.191 1.00 89.00 9 A 1 ATOM 65 N N . LEU A 1 10 ? -2.207 -0.383 4.313 1.00 95.26 10 A 1 ATOM 66 C CA . LEU A 1 10 ? -3.486 -0.278 3.615 1.00 95.66 10 A 1 ATOM 67 C C . LEU A 1 10 ? -3.343 0.554 2.338 1.00 96.61 10 A 1 ATOM 68 O O . LEU A 1 10 ? -3.852 0.169 1.285 1.00 96.57 10 A 1 ATOM 69 C CB . LEU A 1 10 ? -4.524 0.321 4.572 1.00 95.97 10 A 1 ATOM 70 C CG . LEU A 1 10 ? -5.945 -0.179 4.283 1.00 90.72 10 A 1 ATOM 71 C CD1 . LEU A 1 10 ? -6.570 -0.763 5.549 1.00 87.89 10 A 1 ATOM 72 C CD2 . LEU A 1 10 ? -6.832 0.943 3.771 1.00 88.89 10 A 1 ATOM 73 N N . LEU A 1 11 ? -2.608 1.661 2.415 1.00 96.27 11 A 1 ATOM 74 C CA . LEU A 1 11 ? -2.330 2.519 1.266 1.00 96.15 11 A 1 ATOM 75 C C . LEU A 1 11 ? -1.501 1.784 0.216 1.00 96.62 11 A 1 ATOM 76 O O . LEU A 1 11 ? -1.804 1.853 -0.973 1.00 96.39 11 A 1 ATOM 77 C CB . LEU A 1 11 ? -1.606 3.784 1.753 1.00 96.40 11 A 1 ATOM 78 C CG . LEU A 1 11 ? -1.735 4.958 0.772 1.00 89.99 11 A 1 ATOM 79 C CD1 . LEU A 1 11 ? -3.067 5.683 0.985 1.00 86.88 11 A 1 ATOM 80 C CD2 . LEU A 1 11 ? -0.598 5.945 0.973 1.00 88.67 11 A 1 ATOM 81 N N . LEU A 1 12 ? -0.466 1.061 0.651 1.00 97.05 12 A 1 ATOM 82 C CA . LEU A 1 12 ? 0.396 0.279 -0.234 1.00 96.56 12 A 1 ATOM 83 C C . LEU A 1 12 ? -0.402 -0.817 -0.937 1.00 96.91 12 A 1 ATOM 84 O O . LEU A 1 12 ? -0.271 -1.001 -2.144 1.00 96.39 12 A 1 ATOM 85 C CB . LEU A 1 12 ? 1.550 -0.320 0.582 1.00 96.23 12 A 1 ATOM 86 C CG . LEU A 1 12 ? 2.801 -0.585 -0.267 1.00 90.89 12 A 1 ATOM 87 C CD1 . LEU A 1 12 ? 3.751 0.609 -0.206 1.00 87.15 12 A 1 ATOM 88 C CD2 . LEU A 1 12 ? 3.528 -1.824 0.226 1.00 88.35 12 A 1 ATOM 89 N N . THR A 1 13 ? -1.247 -1.516 -0.201 1.00 96.57 13 A 1 ATOM 90 C CA . THR A 1 13 ? -2.103 -2.569 -0.753 1.00 96.13 13 A 1 ATOM 91 C C . THR A 1 13 ? -3.099 -1.989 -1.756 1.00 96.41 13 A 1 ATOM 92 O O . THR A 1 13 ? -3.282 -2.551 -2.836 1.00 95.46 13 A 1 ATOM 93 C CB . THR A 1 13 ? -2.851 -3.298 0.373 1.00 95.45 13 A 1 ATOM 94 O OG1 . THR A 1 13 ? -1.938 -3.792 1.327 1.00 91.09 13 A 1 ATOM 95 C CG2 . THR A 1 13 ? -3.627 -4.501 -0.156 1.00 90.43 13 A 1 ATOM 96 N N . ALA A 1 14 ? -3.710 -0.862 -1.434 1.00 97.10 14 A 1 ATOM 97 C CA . ALA A 1 14 ? -4.633 -0.188 -2.341 1.00 97.07 14 A 1 ATOM 98 C C . ALA A 1 14 ? -3.924 0.261 -3.625 1.00 97.41 14 A 1 ATOM 99 O O . ALA A 1 14 ? -4.459 0.088 -4.718 1.00 96.35 14 A 1 ATOM 100 C CB . ALA A 1 14 ? -5.267 1.000 -1.615 1.00 96.65 14 A 1 ATOM 101 N N . THR A 1 15 ? -2.702 0.784 -3.506 1.00 96.04 15 A 1 ATOM 102 C CA . THR A 1 15 ? -1.903 1.215 -4.655 1.00 95.81 15 A 1 ATOM 103 C C . THR A 1 15 ? -1.528 0.026 -5.534 1.00 96.09 15 A 1 ATOM 104 O O . THR A 1 15 ? -1.697 0.089 -6.751 1.00 94.74 15 A 1 ATOM 105 C CB . THR A 1 15 ? -0.643 1.952 -4.186 1.00 95.46 15 A 1 ATOM 106 O OG1 . THR A 1 15 ? -1.000 3.017 -3.328 1.00 91.30 15 A 1 ATOM 107 C CG2 . THR A 1 15 ? 0.121 2.561 -5.355 1.00 90.53 15 A 1 ATOM 108 N N . LEU A 1 16 ? -1.061 -1.065 -4.937 1.00 97.19 16 A 1 ATOM 109 C CA . LEU A 1 16 ? -0.732 -2.285 -5.673 1.00 96.70 16 A 1 ATOM 110 C C . LEU A 1 16 ? -1.959 -2.860 -6.373 1.00 96.93 16 A 1 ATOM 111 O O . LEU A 1 16 ? -1.867 -3.277 -7.526 1.00 96.53 16 A 1 ATOM 112 C CB . LEU A 1 16 ? -0.132 -3.313 -4.706 1.00 96.43 16 A 1 ATOM 113 C CG . LEU A 1 16 ? 1.364 -3.103 -4.465 1.00 92.64 16 A 1 ATOM 114 C CD1 . LEU A 1 16 ? 1.800 -3.820 -3.196 1.00 88.71 16 A 1 ATOM 115 C CD2 . LEU A 1 16 ? 2.179 -3.642 -5.640 1.00 89.14 16 A 1 ATOM 116 N N . CYS A 1 17 ? -3.097 -2.853 -5.707 1.00 94.63 17 A 1 ATOM 117 C CA . CYS A 1 17 ? -4.351 -3.321 -6.288 1.00 94.49 17 A 1 ATOM 118 C C . CYS A 1 17 ? -4.763 -2.445 -7.481 1.00 95.49 17 A 1 ATOM 119 O O . CYS A 1 17 ? -5.153 -2.964 -8.521 1.00 94.72 17 A 1 ATOM 120 C CB . CYS A 1 17 ? -5.426 -3.338 -5.193 1.00 93.34 17 A 1 ATOM 121 S SG . CYS A 1 17 ? -6.739 -4.498 -5.613 1.00 87.38 17 A 1 ATOM 122 N N . SER A 1 18 ? -4.616 -1.131 -7.360 1.00 96.20 18 A 1 ATOM 123 C CA . SER A 1 18 ? -4.916 -0.195 -8.448 1.00 96.30 18 A 1 ATOM 124 C C . SER A 1 18 ? -3.992 -0.412 -9.648 1.00 96.67 18 A 1 ATOM 125 O O . SER A 1 18 ? -4.459 -0.412 -10.783 1.00 95.87 18 A 1 ATOM 126 C CB . SER A 1 18 ? -4.799 1.247 -7.959 1.00 95.55 18 A 1 ATOM 127 O OG . SER A 1 18 ? -5.786 1.528 -6.994 1.00 84.79 18 A 1 ATOM 128 N N . ILE A 1 19 ? -2.696 -0.638 -9.403 1.00 96.99 19 A 1 ATOM 129 C CA . ILE A 1 19 ? -1.731 -0.913 -10.471 1.00 96.57 19 A 1 ATOM 130 C C . ILE A 1 19 ? -2.062 -2.240 -11.159 1.00 96.72 19 A 1 ATOM 131 O O . ILE A 1 19 ? -2.032 -2.319 -12.384 1.00 95.87 19 A 1 ATOM 132 C CB . ILE A 1 19 ? -0.295 -0.900 -9.915 1.00 96.20 19 A 1 ATOM 133 C CG1 . ILE A 1 19 ? 0.097 0.526 -9.477 1.00 94.10 19 A 1 ATOM 134 C CG2 . ILE A 1 19 ? 0.710 -1.403 -10.969 1.00 93.09 19 A 1 ATOM 135 C CD1 . ILE A 1 19 ? 1.316 0.565 -8.567 1.00 88.30 19 A 1 ATOM 136 N N . GLN A 1 20 ? -2.400 -3.266 -10.389 1.00 95.77 20 A 1 ATOM 137 C CA . GLN A 1 20 ? -2.780 -4.571 -10.941 1.00 94.99 20 A 1 ATOM 138 C C . GLN A 1 20 ? -4.044 -4.485 -11.792 1.00 95.13 20 A 1 ATOM 139 O O . GLN A 1 20 ? -4.133 -5.142 -12.822 1.00 93.58 20 A 1 ATOM 140 C CB . GLN A 1 20 ? -2.989 -5.565 -9.787 1.00 94.84 20 A 1 ATOM 141 C CG . GLN A 1 20 ? -1.691 -6.258 -9.389 1.00 88.87 20 A 1 ATOM 142 C CD . GLN A 1 20 ? -1.538 -7.611 -10.088 1.00 83.76 20 A 1 ATOM 143 O OE1 . GLN A 1 20 ? -2.482 -8.366 -10.253 1.00 78.08 20 A 1 ATOM 144 N NE2 . GLN A 1 20 ? -0.343 -7.964 -10.495 1.00 76.19 20 A 1 ATOM 145 N N . VAL A 1 21 ? -5.008 -3.685 -11.378 1.00 94.14 21 A 1 ATOM 146 C CA . VAL A 1 21 ? -6.257 -3.492 -12.128 1.00 93.97 21 A 1 ATOM 147 C C . VAL A 1 21 ? -6.012 -2.674 -13.398 1.00 94.34 21 A 1 ATOM 148 O O . VAL A 1 21 ? -6.679 -2.899 -14.412 1.00 93.08 21 A 1 ATOM 149 C CB . VAL A 1 21 ? -7.328 -2.835 -11.232 1.00 92.40 21 A 1 ATOM 150 C CG1 . VAL A 1 21 ? -8.574 -2.420 -12.015 1.00 86.57 21 A 1 ATOM 151 C CG2 . VAL A 1 21 ? -7.771 -3.798 -10.135 1.00 86.87 21 A 1 ATOM 152 N N . LEU A 1 22 ? -5.055 -1.746 -13.357 1.00 94.67 22 A 1 ATOM 153 C CA . LEU A 1 22 ? -4.727 -0.894 -14.501 1.00 93.83 22 A 1 ATOM 154 C C . LEU A 1 22 ? -3.746 -1.559 -15.471 1.00 93.93 22 A 1 ATOM 155 O O . LEU A 1 22 ? -3.645 -1.128 -16.619 1.00 92.82 22 A 1 ATOM 156 C CB . LEU A 1 22 ? -4.173 0.447 -13.994 1.00 93.49 22 A 1 ATOM 157 C CG . LEU A 1 22 ? -4.690 1.645 -14.799 1.00 87.05 22 A 1 ATOM 158 C CD1 . LEU A 1 22 ? -5.989 2.181 -14.193 1.00 80.05 22 A 1 ATOM 159 C CD2 . LEU A 1 22 ? -3.657 2.763 -14.823 1.00 80.73 22 A 1 ATOM 160 N N . ALA A 1 23 ? -3.012 -2.575 -15.023 1.00 90.93 23 A 1 ATOM 161 C CA . ALA A 1 23 ? -2.025 -3.279 -15.831 1.00 89.34 23 A 1 ATOM 162 C C . ALA A 1 23 ? -2.662 -4.249 -16.827 1.00 86.05 23 A 1 ATOM 163 O O . ALA A 1 23 ? -3.738 -4.804 -16.531 1.00 83.01 23 A 1 ATOM 164 C CB . ALA A 1 23 ? -1.031 -3.990 -14.919 1.00 84.65 23 A 1 ATOM 165 O OXT . ALA A 1 23 ? -2.046 -4.470 -17.889 1.00 74.64 23 A 1 #