# 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_spkb36861 # _entry.id spkb36861 # 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" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[C@@H](C(=O)O)N ? "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" "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 GLY 2 1 n SER 3 1 n LYS 4 1 n MET 5 1 n ALA 6 1 n ILE 7 1 n LEU 8 1 n ILE 9 1 n LEU 10 1 n GLY 11 1 n LEU 12 1 n LEU 13 1 n ALA 14 1 n MET 15 1 n LEU 16 1 n LEU 17 1 n LEU 18 1 n ILE 19 1 n THR 20 1 n SER 21 1 n GLU 22 1 n VAL 23 1 n ALA 24 1 n ALA 25 # _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 @ 2025-07-08 18:18:33)" _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 93.60 _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 77.84 1 1 A GLY 2 2 94.41 1 2 A SER 3 2 93.21 1 3 A LYS 4 2 91.74 1 4 A MET 5 2 91.40 1 5 A ALA 6 2 98.21 1 6 A ILE 7 2 96.36 1 7 A LEU 8 2 94.70 1 8 A ILE 9 2 96.33 1 9 A LEU 10 2 95.47 1 10 A GLY 11 2 98.47 1 11 A LEU 12 2 95.79 1 12 A LEU 13 2 95.87 1 13 A ALA 14 2 98.18 1 14 A MET 15 2 93.76 1 15 A LEU 16 2 95.20 1 16 A LEU 17 2 95.99 1 17 A LEU 18 2 95.56 1 18 A ILE 19 2 96.39 1 19 A THR 20 2 95.58 1 20 A SER 21 2 94.98 1 21 A GLU 22 2 88.64 1 22 A VAL 23 2 94.09 1 23 A ALA 24 2 93.75 1 24 A ALA 25 2 83.16 1 25 # _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 GLY . 2 A 2 A 3 1 n SER . 3 A 3 A 4 1 n LYS . 4 A 4 A 5 1 n MET . 5 A 5 A 6 1 n ALA . 6 A 6 A 7 1 n ILE . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n ILE . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n GLY . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n MET . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n ILE . 19 A 19 A 20 1 n THR . 20 A 20 A 21 1 n SER . 21 A 21 A 22 1 n GLU . 22 A 22 A 23 1 n VAL . 23 A 23 A 24 1 n ALA . 24 A 24 A 25 1 n ALA . 25 A 25 # _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 ? -18.414 -4.925 -5.604 1.00 84.34 1 A 1 ATOM 2 C CA . MET A 1 1 ? -17.077 -4.310 -5.468 1.00 86.68 1 A 1 ATOM 3 C C . MET A 1 1 ? -17.162 -2.820 -5.765 1.00 88.51 1 A 1 ATOM 4 O O . MET A 1 1 ? -17.732 -2.426 -6.781 1.00 81.94 1 A 1 ATOM 5 C CB . MET A 1 1 ? -16.079 -4.959 -6.435 1.00 79.46 1 A 1 ATOM 6 C CG . MET A 1 1 ? -15.771 -6.399 -6.059 1.00 73.62 1 A 1 ATOM 7 S SD . MET A 1 1 ? -14.675 -7.192 -7.251 1.00 68.67 1 A 1 ATOM 8 C CE . MET A 1 1 ? -14.388 -8.747 -6.434 1.00 59.49 1 A 1 ATOM 9 N N . GLY A 1 2 ? -16.617 -2.016 -4.880 1.00 92.91 2 A 1 ATOM 10 C CA . GLY A 1 2 ? -16.643 -0.572 -5.049 1.00 94.55 2 A 1 ATOM 11 C C . GLY A 1 2 ? -15.350 0.080 -4.606 1.00 95.75 2 A 1 ATOM 12 O O . GLY A 1 2 ? -14.285 -0.541 -4.661 1.00 94.41 2 A 1 ATOM 13 N N . SER A 1 3 ? -15.441 1.331 -4.149 1.00 94.50 3 A 1 ATOM 14 C CA . SER A 1 3 ? -14.275 2.107 -3.722 1.00 96.26 3 A 1 ATOM 15 C C . SER A 1 3 ? -13.534 1.451 -2.560 1.00 97.01 3 A 1 ATOM 16 O O . SER A 1 3 ? -12.326 1.631 -2.416 1.00 95.50 3 A 1 ATOM 17 C CB . SER A 1 3 ? -14.702 3.515 -3.326 1.00 93.92 3 A 1 ATOM 18 O OG . SER A 1 3 ? -15.382 4.149 -4.399 1.00 82.05 3 A 1 ATOM 19 N N . LYS A 1 4 ? -14.261 0.679 -1.732 1.00 96.79 4 A 1 ATOM 20 C CA . LYS A 1 4 ? -13.650 -0.015 -0.590 1.00 97.56 4 A 1 ATOM 21 C C . LYS A 1 4 ? -12.579 -1.003 -1.042 1.00 97.79 4 A 1 ATOM 22 O O . LYS A 1 4 ? -11.522 -1.097 -0.418 1.00 97.40 4 A 1 ATOM 23 C CB . LYS A 1 4 ? -14.725 -0.721 0.234 1.00 97.10 4 A 1 ATOM 24 C CG . LYS A 1 4 ? -15.636 0.261 0.951 1.00 93.79 4 A 1 ATOM 25 C CD . LYS A 1 4 ? -16.659 -0.449 1.828 1.00 88.39 4 A 1 ATOM 26 C CE . LYS A 1 4 ? -17.787 -1.058 1.019 1.00 82.45 4 A 1 ATOM 27 N NZ . LYS A 1 4 ? -18.689 -0.013 0.472 1.00 74.37 4 A 1 ATOM 28 N N . MET A 1 5 ? -12.844 -1.731 -2.139 1.00 97.38 5 A 1 ATOM 29 C CA . MET A 1 5 ? -11.854 -2.663 -2.688 1.00 97.61 5 A 1 ATOM 30 C C . MET A 1 5 ? -10.635 -1.909 -3.208 1.00 97.95 5 A 1 ATOM 31 O O . MET A 1 5 ? -9.501 -2.347 -3.014 1.00 97.70 5 A 1 ATOM 32 C CB . MET A 1 5 ? -12.472 -3.506 -3.805 1.00 96.85 5 A 1 ATOM 33 C CG . MET A 1 5 ? -13.401 -4.581 -3.266 1.00 90.63 5 A 1 ATOM 34 S SD . MET A 1 5 ? -12.555 -5.858 -2.328 1.00 82.29 5 A 1 ATOM 35 C CE . MET A 1 5 ? -11.679 -6.726 -3.618 1.00 70.78 5 A 1 ATOM 36 N N . ALA A 1 6 ? -10.868 -0.763 -3.855 1.00 98.04 6 A 1 ATOM 37 C CA . ALA A 1 6 ? -9.776 0.072 -4.354 1.00 98.30 6 A 1 ATOM 38 C C . ALA A 1 6 ? -8.911 0.586 -3.204 1.00 98.47 6 A 1 ATOM 39 O O . ALA A 1 6 ? -7.686 0.615 -3.308 1.00 98.27 6 A 1 ATOM 40 C CB . ALA A 1 6 ? -10.338 1.236 -5.163 1.00 97.99 6 A 1 ATOM 41 N N . ILE A 1 7 ? -9.554 0.967 -2.094 1.00 98.32 7 A 1 ATOM 42 C CA . ILE A 1 7 ? -8.839 1.441 -0.906 1.00 98.31 7 A 1 ATOM 43 C C . ILE A 1 7 ? -7.962 0.324 -0.339 1.00 98.40 7 A 1 ATOM 44 O O . ILE A 1 7 ? -6.808 0.565 0.031 1.00 98.21 7 A 1 ATOM 45 C CB . ILE A 1 7 ? -9.823 1.971 0.154 1.00 98.12 7 A 1 ATOM 46 C CG1 . ILE A 1 7 ? -10.489 3.265 -0.342 1.00 96.18 7 A 1 ATOM 47 C CG2 . ILE A 1 7 ? -9.111 2.228 1.486 1.00 95.28 7 A 1 ATOM 48 C CD1 . ILE A 1 7 ? -11.729 3.657 0.450 1.00 88.04 7 A 1 ATOM 49 N N . LEU A 1 8 ? -8.501 -0.903 -0.280 1.00 97.96 8 A 1 ATOM 50 C CA . LEU A 1 8 ? -7.740 -2.046 0.224 1.00 98.00 8 A 1 ATOM 51 C C . LEU A 1 8 ? -6.524 -2.328 -0.658 1.00 98.23 8 A 1 ATOM 52 O O . LEU A 1 8 ? -5.425 -2.564 -0.151 1.00 98.27 8 A 1 ATOM 53 C CB . LEU A 1 8 ? -8.633 -3.287 0.302 1.00 97.82 8 A 1 ATOM 54 C CG . LEU A 1 8 ? -9.695 -3.229 1.403 1.00 90.65 8 A 1 ATOM 55 C CD1 . LEU A 1 8 ? -10.671 -4.388 1.254 1.00 88.14 8 A 1 ATOM 56 C CD2 . LEU A 1 8 ? -9.048 -3.270 2.785 1.00 88.56 8 A 1 ATOM 57 N N . ILE A 1 9 ? -6.720 -2.289 -1.979 1.00 98.01 9 A 1 ATOM 58 C CA . ILE A 1 9 ? -5.630 -2.517 -2.929 1.00 98.03 9 A 1 ATOM 59 C C . ILE A 1 9 ? -4.567 -1.429 -2.783 1.00 98.20 9 A 1 ATOM 60 O O . ILE A 1 9 ? -3.368 -1.727 -2.724 1.00 98.21 9 A 1 ATOM 61 C CB . ILE A 1 9 ? -6.169 -2.582 -4.370 1.00 97.88 9 A 1 ATOM 62 C CG1 . ILE A 1 9 ? -7.053 -3.832 -4.548 1.00 95.88 9 A 1 ATOM 63 C CG2 . ILE A 1 9 ? -5.016 -2.607 -5.383 1.00 95.02 9 A 1 ATOM 64 C CD1 . ILE A 1 9 ? -7.936 -3.782 -5.782 1.00 89.42 9 A 1 ATOM 65 N N . LEU A 1 10 ? -4.998 -0.173 -2.707 1.00 98.27 10 A 1 ATOM 66 C CA . LEU A 1 10 ? -4.071 0.946 -2.541 1.00 98.17 10 A 1 ATOM 67 C C . LEU A 1 10 ? -3.329 0.851 -1.209 1.00 98.30 10 A 1 ATOM 68 O O . LEU A 1 10 ? -2.139 1.168 -1.139 1.00 98.11 10 A 1 ATOM 69 C CB . LEU A 1 10 ? -4.827 2.274 -2.636 1.00 97.73 10 A 1 ATOM 70 C CG . LEU A 1 10 ? -5.316 2.619 -4.046 1.00 91.32 10 A 1 ATOM 71 C CD1 . LEU A 1 10 ? -6.256 3.817 -3.996 1.00 91.02 10 A 1 ATOM 72 C CD2 . LEU A 1 10 ? -4.147 2.914 -4.976 1.00 90.82 10 A 1 ATOM 73 N N . GLY A 1 11 ? -4.022 0.407 -0.162 1.00 98.40 11 A 1 ATOM 74 C CA . GLY A 1 11 ? -3.400 0.217 1.147 1.00 98.44 11 A 1 ATOM 75 C C . GLY A 1 11 ? -2.299 -0.830 1.102 1.00 98.59 11 A 1 ATOM 76 O O . GLY A 1 11 ? -1.213 -0.623 1.650 1.00 98.44 11 A 1 ATOM 77 N N . LEU A 1 12 ? -2.573 -1.955 0.428 1.00 98.22 12 A 1 ATOM 78 C CA . LEU A 1 12 ? -1.577 -3.016 0.280 1.00 98.29 12 A 1 ATOM 79 C C . LEU A 1 12 ? -0.379 -2.531 -0.535 1.00 98.41 12 A 1 ATOM 80 O O . LEU A 1 12 ? 0.769 -2.814 -0.182 1.00 98.21 12 A 1 ATOM 81 C CB . LEU A 1 12 ? -2.212 -4.242 -0.385 1.00 98.11 12 A 1 ATOM 82 C CG . LEU A 1 12 ? -3.211 -4.987 0.509 1.00 92.62 12 A 1 ATOM 83 C CD1 . LEU A 1 12 ? -3.974 -6.026 -0.304 1.00 91.08 12 A 1 ATOM 84 C CD2 . LEU A 1 12 ? -2.497 -5.665 1.678 1.00 91.36 12 A 1 ATOM 85 N N . LEU A 1 13 ? -0.642 -1.789 -1.613 1.00 98.28 13 A 1 ATOM 86 C CA . LEU A 1 13 ? 0.431 -1.234 -2.438 1.00 98.22 13 A 1 ATOM 87 C C . LEU A 1 13 ? 1.278 -0.248 -1.637 1.00 98.28 13 A 1 ATOM 88 O O . LEU A 1 13 ? 2.505 -0.252 -1.743 1.00 98.00 13 A 1 ATOM 89 C CB . LEU A 1 13 ? -0.157 -0.544 -3.670 1.00 97.95 13 A 1 ATOM 90 C CG . LEU A 1 13 ? -0.717 -1.504 -4.723 1.00 93.36 13 A 1 ATOM 91 C CD1 . LEU A 1 13 ? -1.496 -0.734 -5.781 1.00 91.60 13 A 1 ATOM 92 C CD2 . LEU A 1 13 ? 0.401 -2.300 -5.385 1.00 91.30 13 A 1 ATOM 93 N N . ALA A 1 14 ? 0.631 0.586 -0.824 1.00 98.32 14 A 1 ATOM 94 C CA . ALA A 1 14 ? 1.338 1.547 0.019 1.00 98.29 14 A 1 ATOM 95 C C . ALA A 1 14 ? 2.240 0.829 1.020 1.00 98.39 14 A 1 ATOM 96 O O . ALA A 1 14 ? 3.382 1.238 1.237 1.00 97.96 14 A 1 ATOM 97 C CB . ALA A 1 14 ? 0.340 2.443 0.746 1.00 97.94 14 A 1 ATOM 98 N N . MET A 1 15 ? 1.737 -0.257 1.627 1.00 98.18 15 A 1 ATOM 99 C CA . MET A 1 15 ? 2.536 -1.049 2.562 1.00 98.15 15 A 1 ATOM 100 C C . MET A 1 15 ? 3.743 -1.663 1.858 1.00 98.25 15 A 1 ATOM 101 O O . MET A 1 15 ? 4.850 -1.644 2.400 1.00 97.75 15 A 1 ATOM 102 C CB . MET A 1 15 ? 1.691 -2.145 3.205 1.00 97.84 15 A 1 ATOM 103 C CG . MET A 1 15 ? 0.714 -1.609 4.231 1.00 94.56 15 A 1 ATOM 104 S SD . MET A 1 15 ? -0.118 -2.918 5.160 1.00 87.73 15 A 1 ATOM 105 C CE . MET A 1 15 ? 1.231 -3.476 6.199 1.00 77.64 15 A 1 ATOM 106 N N . LEU A 1 16 ? 3.539 -2.200 0.652 1.00 98.22 16 A 1 ATOM 107 C CA . LEU A 1 16 ? 4.635 -2.782 -0.123 1.00 98.18 16 A 1 ATOM 108 C C . LEU A 1 16 ? 5.688 -1.727 -0.455 1.00 98.29 16 A 1 ATOM 109 O O . LEU A 1 16 ? 6.889 -1.993 -0.348 1.00 98.00 16 A 1 ATOM 110 C CB . LEU A 1 16 ? 4.095 -3.417 -1.405 1.00 97.92 16 A 1 ATOM 111 C CG . LEU A 1 16 ? 3.301 -4.707 -1.179 1.00 91.40 16 A 1 ATOM 112 C CD1 . LEU A 1 16 ? 2.598 -5.126 -2.463 1.00 89.53 16 A 1 ATOM 113 C CD2 . LEU A 1 16 ? 4.218 -5.834 -0.700 1.00 90.07 16 A 1 ATOM 114 N N . LEU A 1 17 ? 5.248 -0.526 -0.842 1.00 98.26 17 A 1 ATOM 115 C CA . LEU A 1 17 ? 6.165 0.569 -1.151 1.00 98.11 17 A 1 ATOM 116 C C . LEU A 1 17 ? 6.942 1.001 0.089 1.00 98.18 17 A 1 ATOM 117 O O . LEU A 1 17 ? 8.149 1.237 0.015 1.00 97.87 17 A 1 ATOM 118 C CB . LEU A 1 17 ? 5.392 1.753 -1.732 1.00 97.88 17 A 1 ATOM 119 C CG . LEU A 1 17 ? 4.872 1.522 -3.154 1.00 94.35 17 A 1 ATOM 120 C CD1 . LEU A 1 17 ? 3.915 2.638 -3.550 1.00 91.69 17 A 1 ATOM 121 C CD2 . LEU A 1 17 ? 6.027 1.455 -4.151 1.00 91.61 17 A 1 ATOM 122 N N . LEU A 1 18 ? 6.257 1.085 1.235 1.00 98.00 18 A 1 ATOM 123 C CA . LEU A 1 18 ? 6.910 1.459 2.489 1.00 97.95 18 A 1 ATOM 124 C C . LEU A 1 18 ? 7.928 0.402 2.907 1.00 98.01 18 A 1 ATOM 125 O O . LEU A 1 18 ? 9.053 0.739 3.283 1.00 97.49 18 A 1 ATOM 126 C CB . LEU A 1 18 ? 5.868 1.656 3.590 1.00 97.65 18 A 1 ATOM 127 C CG . LEU A 1 18 ? 5.023 2.923 3.430 1.00 93.70 18 A 1 ATOM 128 C CD1 . LEU A 1 18 ? 3.843 2.896 4.397 1.00 91.11 18 A 1 ATOM 129 C CD2 . LEU A 1 18 ? 5.867 4.173 3.682 1.00 90.58 18 A 1 ATOM 130 N N . ILE A 1 19 ? 7.544 -0.881 2.820 1.00 98.17 19 A 1 ATOM 131 C CA . ILE A 1 19 ? 8.447 -1.978 3.182 1.00 97.97 19 A 1 ATOM 132 C C . ILE A 1 19 ? 9.667 -1.984 2.265 1.00 97.98 19 A 1 ATOM 133 O O . ILE A 1 19 ? 10.803 -2.083 2.741 1.00 97.51 19 A 1 ATOM 134 C CB . ILE A 1 19 ? 7.713 -3.329 3.135 1.00 97.66 19 A 1 ATOM 135 C CG1 . ILE A 1 19 ? 6.659 -3.405 4.253 1.00 95.63 19 A 1 ATOM 136 C CG2 . ILE A 1 19 ? 8.707 -4.490 3.277 1.00 94.66 19 A 1 ATOM 137 C CD1 . ILE A 1 19 ? 5.619 -4.493 4.032 1.00 91.57 19 A 1 ATOM 138 N N . THR A 1 20 ? 9.449 -1.872 0.953 1.00 98.01 20 A 1 ATOM 139 C CA . THR A 1 20 ? 10.556 -1.883 -0.005 1.00 97.84 20 A 1 ATOM 140 C C . THR A 1 20 ? 11.467 -0.677 0.188 1.00 97.67 20 A 1 ATOM 141 O O . THR A 1 20 ? 12.689 -0.814 0.109 1.00 96.64 20 A 1 ATOM 142 C CB . THR A 1 20 ? 10.049 -1.929 -1.452 1.00 97.10 20 A 1 ATOM 143 O OG1 . THR A 1 20 ? 9.116 -0.890 -1.690 1.00 91.25 20 A 1 ATOM 144 C CG2 . THR A 1 20 ? 9.402 -3.268 -1.753 1.00 90.56 20 A 1 ATOM 145 N N . SER A 1 21 ? 10.897 0.495 0.456 1.00 97.78 21 A 1 ATOM 146 C CA . SER A 1 21 ? 11.695 1.703 0.667 1.00 97.55 21 A 1 ATOM 147 C C . SER A 1 21 ? 12.498 1.618 1.965 1.00 97.43 21 A 1 ATOM 148 O O . SER A 1 21 ? 13.663 2.019 2.002 1.00 95.92 21 A 1 ATOM 149 C CB . SER A 1 21 ? 10.806 2.946 0.675 1.00 96.64 21 A 1 ATOM 150 O OG . SER A 1 21 ? 9.889 2.918 1.748 1.00 84.56 21 A 1 ATOM 151 N N . GLU A 1 22 ? 11.882 1.078 3.025 1.00 96.58 22 A 1 ATOM 152 C CA . GLU A 1 22 ? 12.561 0.936 4.316 1.00 96.48 22 A 1 ATOM 153 C C . GLU A 1 22 ? 13.656 -0.125 4.270 1.00 96.44 22 A 1 ATOM 154 O O . GLU A 1 22 ? 14.719 0.046 4.874 1.00 94.08 22 A 1 ATOM 155 C CB . GLU A 1 22 ? 11.548 0.586 5.409 1.00 95.58 22 A 1 ATOM 156 C CG . GLU A 1 22 ? 10.585 1.728 5.730 1.00 87.39 22 A 1 ATOM 157 C CD . GLU A 1 22 ? 11.287 2.874 6.448 1.00 81.37 22 A 1 ATOM 158 O OE1 . GLU A 1 22 ? 11.833 2.641 7.536 1.00 73.51 22 A 1 ATOM 159 O OE2 . GLU A 1 22 ? 11.283 3.996 5.917 1.00 76.29 22 A 1 ATOM 160 N N . VAL A 1 23 ? 13.398 -1.235 3.555 1.00 97.13 23 A 1 ATOM 161 C CA . VAL A 1 23 ? 14.370 -2.331 3.448 1.00 96.97 23 A 1 ATOM 162 C C . VAL A 1 23 ? 15.469 -2.011 2.435 1.00 96.66 23 A 1 ATOM 163 O O . VAL A 1 23 ? 16.643 -2.313 2.674 1.00 94.60 23 A 1 ATOM 164 C CB . VAL A 1 23 ? 13.668 -3.651 3.086 1.00 95.75 23 A 1 ATOM 165 C CG1 . VAL A 1 23 ? 14.673 -4.771 2.846 1.00 88.63 23 A 1 ATOM 166 C CG2 . VAL A 1 23 ? 12.708 -4.062 4.194 1.00 88.90 23 A 1 ATOM 167 N N . ALA A 1 24 ? 15.099 -1.413 1.302 1.00 95.29 24 A 1 ATOM 168 C CA . ALA A 1 24 ? 16.054 -1.102 0.232 1.00 94.73 24 A 1 ATOM 169 C C . ALA A 1 24 ? 16.944 0.094 0.565 1.00 93.90 24 A 1 ATOM 170 O O . ALA A 1 24 ? 18.065 0.188 0.064 1.00 91.31 24 A 1 ATOM 171 C CB . ALA A 1 24 ? 15.315 -0.851 -1.078 1.00 93.51 24 A 1 ATOM 172 N N . ALA A 1 25 ? 16.455 1.009 1.408 1.00 91.15 25 A 1 ATOM 173 C CA . ALA A 1 25 ? 17.198 2.213 1.761 1.00 89.39 25 A 1 ATOM 174 C C . ALA A 1 25 ? 17.799 2.087 3.161 1.00 83.71 25 A 1 ATOM 175 O O . ALA A 1 25 ? 17.052 1.862 4.123 1.00 76.84 25 A 1 ATOM 176 C CB . ALA A 1 25 ? 16.295 3.440 1.665 1.00 83.75 25 A 1 ATOM 177 O OXT . ALA A 1 25 ? 19.029 2.235 3.293 1.00 74.09 25 A 1 #