# 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_spkb33315 # _entry.id spkb33315 # 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" "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" "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 PHE 2 1 n LYS 3 1 n PHE 4 1 n ALA 5 1 n SER 6 1 n ALA 7 1 n VAL 8 1 n ILE 9 1 n LEU 10 1 n CYS 11 1 n VAL 12 1 n VAL 13 1 n ALA 14 1 n ALA 15 1 n SER 16 1 n SER 17 1 n THR 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 @ 2025-07-13 09:39:45)" _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 89.22 _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 85.94 1 1 A PHE 2 2 87.64 1 2 A LYS 3 2 89.42 1 3 A PHE 4 2 91.66 1 4 A ALA 5 2 96.34 1 5 A SER 6 2 92.94 1 6 A ALA 7 2 95.91 1 7 A VAL 8 2 94.38 1 8 A ILE 9 2 91.65 1 9 A LEU 10 2 90.24 1 10 A CYS 11 2 92.63 1 11 A VAL 12 2 92.55 1 12 A VAL 13 2 92.31 1 13 A ALA 14 2 92.89 1 14 A ALA 15 2 92.67 1 15 A SER 16 2 90.93 1 16 A SER 17 2 85.36 1 17 A THR 18 2 78.32 1 18 A LEU 19 2 80.26 1 19 A ALA 20 2 75.75 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 PHE . 2 A 2 A 3 1 n LYS . 3 A 3 A 4 1 n PHE . 4 A 4 A 5 1 n ALA . 5 A 5 A 6 1 n SER . 6 A 6 A 7 1 n ALA . 7 A 7 A 8 1 n VAL . 8 A 8 A 9 1 n ILE . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n CYS . 11 A 11 A 12 1 n VAL . 12 A 12 A 13 1 n VAL . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n ALA . 15 A 15 A 16 1 n SER . 16 A 16 A 17 1 n SER . 17 A 17 A 18 1 n THR . 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 ? -14.137 0.494 1.380 1.00 91.44 1 A 1 ATOM 2 C CA . MET A 1 1 ? -12.856 -0.022 1.892 1.00 92.91 1 A 1 ATOM 3 C C . MET A 1 1 ? -11.670 0.674 1.226 1.00 93.77 1 A 1 ATOM 4 O O . MET A 1 1 ? -10.586 0.117 1.124 1.00 91.45 1 A 1 ATOM 5 C CB . MET A 1 1 ? -12.774 -1.527 1.645 1.00 88.39 1 A 1 ATOM 6 C CG . MET A 1 1 ? -13.709 -2.305 2.549 1.00 82.19 1 A 1 ATOM 7 S SD . MET A 1 1 ? -13.726 -4.047 2.132 1.00 78.64 1 A 1 ATOM 8 C CE . MET A 1 1 ? -14.681 -4.681 3.503 1.00 68.74 1 A 1 ATOM 9 N N . PHE A 1 2 ? -11.905 1.879 0.769 1.00 90.38 2 A 1 ATOM 10 C CA . PHE A 1 2 ? -10.860 2.637 0.084 1.00 92.87 2 A 1 ATOM 11 C C . PHE A 1 2 ? -9.749 3.043 1.053 1.00 94.87 2 A 1 ATOM 12 O O . PHE A 1 2 ? -8.573 3.079 0.694 1.00 92.93 2 A 1 ATOM 13 C CB . PHE A 1 2 ? -11.496 3.872 -0.561 1.00 91.04 2 A 1 ATOM 14 C CG . PHE A 1 2 ? -10.579 4.542 -1.543 1.00 87.90 2 A 1 ATOM 15 C CD1 . PHE A 1 2 ? -10.293 3.945 -2.759 1.00 84.82 2 A 1 ATOM 16 C CD2 . PHE A 1 2 ? -10.004 5.768 -1.241 1.00 83.62 2 A 1 ATOM 17 C CE1 . PHE A 1 2 ? -9.447 4.558 -3.670 1.00 81.73 2 A 1 ATOM 18 C CE2 . PHE A 1 2 ? -9.152 6.391 -2.146 1.00 82.82 2 A 1 ATOM 19 C CZ . PHE A 1 2 ? -8.876 5.784 -3.362 1.00 81.10 2 A 1 ATOM 20 N N . LYS A 1 3 ? -10.125 3.328 2.283 1.00 95.49 3 A 1 ATOM 21 C CA . LYS A 1 3 ? -9.153 3.730 3.303 1.00 96.13 3 A 1 ATOM 22 C C . LYS A 1 3 ? -8.169 2.602 3.606 1.00 96.27 3 A 1 ATOM 23 O O . LYS A 1 3 ? -6.983 2.849 3.807 1.00 95.91 3 A 1 ATOM 24 C CB . LYS A 1 3 ? -9.881 4.149 4.580 1.00 95.19 3 A 1 ATOM 25 C CG . LYS A 1 3 ? -10.426 5.562 4.489 1.00 88.74 3 A 1 ATOM 26 C CD . LYS A 1 3 ? -10.772 6.089 5.868 1.00 85.71 3 A 1 ATOM 27 C CE . LYS A 1 3 ? -10.723 7.601 5.917 1.00 79.25 3 A 1 ATOM 28 N NZ . LYS A 1 3 ? -10.504 8.058 7.315 1.00 72.12 3 A 1 ATOM 29 N N . PHE A 1 4 ? -8.671 1.371 3.634 1.00 94.39 4 A 1 ATOM 30 C CA . PHE A 1 4 ? -7.826 0.218 3.912 1.00 95.26 4 A 1 ATOM 31 C C . PHE A 1 4 ? -6.776 0.038 2.824 1.00 96.26 4 A 1 ATOM 32 O O . PHE A 1 4 ? -5.599 -0.176 3.109 1.00 95.27 4 A 1 ATOM 33 C CB . PHE A 1 4 ? -8.682 -1.044 4.027 1.00 94.55 4 A 1 ATOM 34 C CG . PHE A 1 4 ? -8.780 -1.534 5.451 1.00 91.73 4 A 1 ATOM 35 C CD1 . PHE A 1 4 ? -7.699 -2.172 6.044 1.00 88.76 4 A 1 ATOM 36 C CD2 . PHE A 1 4 ? -9.945 -1.345 6.184 1.00 89.05 4 A 1 ATOM 37 C CE1 . PHE A 1 4 ? -7.776 -2.619 7.358 1.00 87.97 4 A 1 ATOM 38 C CE2 . PHE A 1 4 ? -10.031 -1.793 7.498 1.00 88.13 4 A 1 ATOM 39 C CZ . PHE A 1 4 ? -8.947 -2.431 8.086 1.00 86.94 4 A 1 ATOM 40 N N . ALA A 1 5 ? -7.200 0.136 1.578 1.00 96.01 5 A 1 ATOM 41 C CA . ALA A 1 5 ? -6.284 -0.012 0.451 1.00 96.36 5 A 1 ATOM 42 C C . ALA A 1 5 ? -5.201 1.063 0.489 1.00 97.11 5 A 1 ATOM 43 O O . ALA A 1 5 ? -4.021 0.780 0.279 1.00 96.65 5 A 1 ATOM 44 C CB . ALA A 1 5 ? -7.070 0.059 -0.852 1.00 95.58 5 A 1 ATOM 45 N N . SER A 1 6 ? -5.597 2.280 0.776 1.00 95.36 6 A 1 ATOM 46 C CA . SER A 1 6 ? -4.665 3.400 0.855 1.00 95.46 6 A 1 ATOM 47 C C . SER A 1 6 ? -3.657 3.196 1.986 1.00 96.26 6 A 1 ATOM 48 O O . SER A 1 6 ? -2.460 3.418 1.812 1.00 95.73 6 A 1 ATOM 49 C CB . SER A 1 6 ? -5.440 4.698 1.065 1.00 93.86 6 A 1 ATOM 50 O OG . SER A 1 6 ? -4.564 5.792 1.019 1.00 80.98 6 A 1 ATOM 51 N N . ALA A 1 7 ? -4.148 2.760 3.135 1.00 95.39 7 A 1 ATOM 52 C CA . ALA A 1 7 ? -3.289 2.526 4.295 1.00 95.95 7 A 1 ATOM 53 C C . ALA A 1 7 ? -2.293 1.402 4.023 1.00 96.90 7 A 1 ATOM 54 O O . ALA A 1 7 ? -1.117 1.506 4.376 1.00 96.09 7 A 1 ATOM 55 C CB . ALA A 1 7 ? -4.149 2.189 5.507 1.00 95.21 7 A 1 ATOM 56 N N . VAL A 1 8 ? -2.770 0.337 3.394 1.00 95.08 8 A 1 ATOM 57 C CA . VAL A 1 8 ? -1.912 -0.806 3.077 1.00 95.74 8 A 1 ATOM 58 C C . VAL A 1 8 ? -0.821 -0.397 2.091 1.00 96.49 8 A 1 ATOM 59 O O . VAL A 1 8 ? 0.351 -0.720 2.282 1.00 96.25 8 A 1 ATOM 60 C CB . VAL A 1 8 ? -2.739 -1.970 2.507 1.00 95.02 8 A 1 ATOM 61 C CG1 . VAL A 1 8 ? -1.829 -3.093 2.016 1.00 90.98 8 A 1 ATOM 62 C CG2 . VAL A 1 8 ? -3.687 -2.509 3.567 1.00 91.11 8 A 1 ATOM 63 N N . ILE A 1 9 ? -1.210 0.305 1.057 1.00 93.78 9 A 1 ATOM 64 C CA . ILE A 1 9 ? -0.255 0.762 0.046 1.00 93.60 9 A 1 ATOM 65 C C . ILE A 1 9 ? 0.795 1.671 0.677 1.00 94.26 9 A 1 ATOM 66 O O . ILE A 1 9 ? 1.994 1.527 0.420 1.00 93.84 9 A 1 ATOM 67 C CB . ILE A 1 9 ? -0.992 1.494 -1.086 1.00 93.62 9 A 1 ATOM 68 C CG1 . ILE A 1 9 ? -1.853 0.514 -1.883 1.00 90.85 9 A 1 ATOM 69 C CG2 . ILE A 1 9 ? 0.011 2.173 -2.022 1.00 90.42 9 A 1 ATOM 70 C CD1 . ILE A 1 9 ? -2.917 1.206 -2.714 1.00 82.82 9 A 1 ATOM 71 N N . LEU A 1 10 ? 0.345 2.586 1.497 1.00 94.36 10 A 1 ATOM 72 C CA . LEU A 1 10 ? 1.254 3.508 2.175 1.00 93.56 10 A 1 ATOM 73 C C . LEU A 1 10 ? 2.227 2.747 3.072 1.00 94.42 10 A 1 ATOM 74 O O . LEU A 1 10 ? 3.422 3.044 3.107 1.00 94.09 10 A 1 ATOM 75 C CB . LEU A 1 10 ? 0.447 4.510 3.009 1.00 92.83 10 A 1 ATOM 76 C CG . LEU A 1 10 ? 1.017 5.925 2.942 1.00 85.29 10 A 1 ATOM 77 C CD1 . LEU A 1 10 ? 0.351 6.712 1.822 1.00 83.89 10 A 1 ATOM 78 C CD2 . LEU A 1 10 ? 0.829 6.637 4.267 1.00 83.49 10 A 1 ATOM 79 N N . CYS A 1 11 ? 1.709 1.769 3.790 1.00 94.70 11 A 1 ATOM 80 C CA . CYS A 1 11 ? 2.525 0.957 4.689 1.00 94.49 11 A 1 ATOM 81 C C . CYS A 1 11 ? 3.572 0.171 3.903 1.00 94.97 11 A 1 ATOM 82 O O . CYS A 1 11 ? 4.728 0.079 4.315 1.00 93.53 11 A 1 ATOM 83 C CB . CYS A 1 11 ? 1.626 0.009 5.486 1.00 93.16 11 A 1 ATOM 84 S SG . CYS A 1 11 ? 2.521 -0.776 6.841 1.00 84.91 11 A 1 ATOM 85 N N . VAL A 1 12 ? 3.165 -0.387 2.780 1.00 93.83 12 A 1 ATOM 86 C CA . VAL A 1 12 ? 4.076 -1.159 1.931 1.00 93.67 12 A 1 ATOM 87 C C . VAL A 1 12 ? 5.188 -0.264 1.393 1.00 94.15 12 A 1 ATOM 88 O O . VAL A 1 12 ? 6.364 -0.638 1.407 1.00 93.18 12 A 1 ATOM 89 C CB . VAL A 1 12 ? 3.309 -1.815 0.771 1.00 92.87 12 A 1 ATOM 90 C CG1 . VAL A 1 12 ? 4.271 -2.470 -0.215 1.00 89.52 12 A 1 ATOM 91 C CG2 . VAL A 1 12 ? 2.340 -2.864 1.304 1.00 90.63 12 A 1 ATOM 92 N N . VAL A 1 13 ? 4.825 0.904 0.934 1.00 94.58 13 A 1 ATOM 93 C CA . VAL A 1 13 ? 5.802 1.857 0.405 1.00 93.52 13 A 1 ATOM 94 C C . VAL A 1 13 ? 6.782 2.274 1.495 1.00 93.39 13 A 1 ATOM 95 O O . VAL A 1 13 ? 7.993 2.346 1.263 1.00 92.30 13 A 1 ATOM 96 C CB . VAL A 1 13 ? 5.092 3.094 -0.172 1.00 92.66 13 A 1 ATOM 97 C CG1 . VAL A 1 13 ? 6.106 4.149 -0.598 1.00 89.09 13 A 1 ATOM 98 C CG2 . VAL A 1 13 ? 4.234 2.700 -1.364 1.00 90.64 13 A 1 ATOM 99 N N . ALA A 1 14 ? 6.256 2.539 2.677 1.00 94.81 14 A 1 ATOM 100 C CA . ALA A 1 14 ? 7.090 2.925 3.811 1.00 93.18 14 A 1 ATOM 101 C C . ALA A 1 14 ? 8.008 1.779 4.223 1.00 93.13 14 A 1 ATOM 102 O O . ALA A 1 14 ? 9.180 1.994 4.540 1.00 91.48 14 A 1 ATOM 103 C CB . ALA A 1 14 ? 6.200 3.337 4.982 1.00 91.83 14 A 1 ATOM 104 N N . ALA A 1 15 ? 7.476 0.560 4.215 1.00 94.33 15 A 1 ATOM 105 C CA . ALA A 1 15 ? 8.252 -0.622 4.576 1.00 93.10 15 A 1 ATOM 106 C C . ALA A 1 15 ? 9.364 -0.870 3.562 1.00 93.24 15 A 1 ATOM 107 O O . ALA A 1 15 ? 10.440 -1.349 3.916 1.00 91.05 15 A 1 ATOM 108 C CB . ALA A 1 15 ? 7.331 -1.835 4.664 1.00 91.63 15 A 1 ATOM 109 N N . SER A 1 16 ? 9.108 -0.532 2.307 1.00 94.72 16 A 1 ATOM 110 C CA . SER A 1 16 ? 10.092 -0.694 1.238 1.00 93.79 16 A 1 ATOM 111 C C . SER A 1 16 ? 11.342 0.140 1.516 1.00 93.50 16 A 1 ATOM 112 O O . SER A 1 16 ? 12.432 -0.175 1.038 1.00 90.64 16 A 1 ATOM 113 C CB . SER A 1 16 ? 9.474 -0.290 -0.094 1.00 92.02 16 A 1 ATOM 114 O OG . SER A 1 16 ? 10.304 -0.691 -1.157 1.00 80.93 16 A 1 ATOM 115 N N . SER A 1 17 ? 11.188 1.183 2.316 1.00 90.10 17 A 1 ATOM 116 C CA . SER A 1 17 ? 12.304 2.052 2.696 1.00 89.11 17 A 1 ATOM 117 C C . SER A 1 17 ? 13.000 2.624 1.464 1.00 89.59 17 A 1 ATOM 118 O O . SER A 1 17 ? 14.217 2.823 1.451 1.00 84.74 17 A 1 ATOM 119 C CB . SER A 1 17 ? 13.297 1.274 3.561 1.00 85.59 17 A 1 ATOM 120 O OG . SER A 1 17 ? 13.896 2.125 4.516 1.00 73.01 17 A 1 ATOM 121 N N . THR A 1 18 ? 12.217 2.873 0.439 1.00 83.91 18 A 1 ATOM 122 C CA . THR A 1 18 ? 12.756 3.426 -0.800 1.00 81.77 18 A 1 ATOM 123 C C . THR A 1 18 ? 12.603 4.940 -0.808 1.00 82.19 18 A 1 ATOM 124 O O . THR A 1 18 ? 11.521 5.471 -0.579 1.00 78.01 18 A 1 ATOM 125 C CB . THR A 1 18 ? 12.055 2.806 -2.013 1.00 78.86 18 A 1 ATOM 126 O OG1 . THR A 1 18 ? 12.710 3.242 -3.198 1.00 71.96 18 A 1 ATOM 127 C CG2 . THR A 1 18 ? 10.588 3.178 -2.095 1.00 71.52 18 A 1 ATOM 128 N N . LEU A 1 19 ? 13.696 5.614 -1.052 1.00 86.67 19 A 1 ATOM 129 C CA . LEU A 1 19 ? 13.673 7.071 -1.092 1.00 86.16 19 A 1 ATOM 130 C C . LEU A 1 19 ? 13.115 7.555 -2.424 1.00 88.07 19 A 1 ATOM 131 O O . LEU A 1 19 ? 13.549 7.119 -3.486 1.00 83.77 19 A 1 ATOM 132 C CB . LEU A 1 19 ? 15.083 7.620 -0.882 1.00 82.94 19 A 1 ATOM 133 C CG . LEU A 1 19 ? 15.109 8.946 -0.131 1.00 75.94 19 A 1 ATOM 134 C CD1 . LEU A 1 19 ? 14.855 8.727 1.354 1.00 70.46 19 A 1 ATOM 135 C CD2 . LEU A 1 19 ? 16.456 9.633 -0.327 1.00 68.06 19 A 1 ATOM 136 N N . ALA A 1 20 ? 12.146 8.455 -2.333 1.00 81.80 20 A 1 ATOM 137 C CA . ALA A 1 20 ? 11.521 8.991 -3.537 1.00 80.45 20 A 1 ATOM 138 C C . ALA A 1 20 ? 12.339 10.165 -4.082 1.00 78.39 20 A 1 ATOM 139 O O . ALA A 1 20 ? 12.718 11.040 -3.289 1.00 72.73 20 A 1 ATOM 140 C CB . ALA A 1 20 ? 10.093 9.428 -3.231 1.00 73.36 20 A 1 ATOM 141 O OXT . ALA A 1 20 ? 12.577 10.227 -5.298 1.00 67.78 20 A 1 #