# 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_spkb12845 # _entry.id spkb12845 # 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" "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" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[C@@H](C(=O)O)N)O ? "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 PHE 3 1 n LEU 4 1 n LEU 5 1 n LEU 6 1 n SER 7 1 n THR 8 1 n PHE 9 1 n ILE 10 1 n PHE 11 1 n LEU 12 1 n TYR 13 1 n SER 14 1 n SER 15 1 n LEU 16 1 n ALA 17 1 n LEU 18 1 n ALA 19 # _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 @ 2025-07-03 00:04:57)" _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 91.62 _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 82.66 1 1 A LYS 2 2 84.84 1 2 A PHE 3 2 86.02 1 3 A LEU 4 2 88.52 1 4 A LEU 5 2 90.53 1 5 A LEU 6 2 92.10 1 6 A SER 7 2 95.45 1 7 A THR 8 2 94.10 1 8 A PHE 9 2 93.73 1 9 A ILE 10 2 95.27 1 10 A PHE 11 2 93.70 1 11 A LEU 12 2 93.71 1 12 A TYR 13 2 93.88 1 13 A SER 14 2 96.13 1 14 A SER 15 2 96.23 1 15 A LEU 16 2 93.05 1 16 A ALA 17 2 97.01 1 17 A LEU 18 2 91.46 1 18 A ALA 19 2 87.17 1 19 # _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 PHE . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n SER . 7 A 7 A 8 1 n THR . 8 A 8 A 9 1 n PHE . 9 A 9 A 10 1 n ILE . 10 A 10 A 11 1 n PHE . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n TYR . 13 A 13 A 14 1 n SER . 14 A 14 A 15 1 n SER . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n ALA . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n ALA . 19 A 19 # _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 ? -16.609 -2.094 7.530 1.00 87.17 1 A 1 ATOM 2 C CA . MET A 1 1 ? -15.338 -1.363 7.346 1.00 90.38 1 A 1 ATOM 3 C C . MET A 1 1 ? -14.854 -1.469 5.904 1.00 90.77 1 A 1 ATOM 4 O O . MET A 1 1 ? -14.935 -2.542 5.310 1.00 87.57 1 A 1 ATOM 5 C CB . MET A 1 1 ? -14.263 -1.939 8.265 1.00 84.61 1 A 1 ATOM 6 C CG . MET A 1 1 ? -14.474 -1.542 9.716 1.00 79.27 1 A 1 ATOM 7 S SD . MET A 1 1 ? -13.226 -2.264 10.780 1.00 75.12 1 A 1 ATOM 8 C CE . MET A 1 1 ? -13.673 -1.518 12.341 1.00 66.39 1 A 1 ATOM 9 N N . LYS A 1 2 ? -14.370 -0.377 5.355 1.00 91.81 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -13.884 -0.348 3.977 1.00 92.62 2 A 1 ATOM 11 C C . LYS A 1 2 ? -12.509 0.330 3.910 1.00 92.99 2 A 1 ATOM 12 O O . LYS A 1 2 ? -12.252 1.152 3.032 1.00 92.67 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -14.899 0.374 3.098 1.00 90.06 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -14.850 -0.118 1.666 1.00 83.01 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -15.864 0.621 0.814 1.00 79.61 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -15.783 0.155 -0.624 1.00 74.26 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -16.717 0.927 -1.475 1.00 66.53 2 A 1 ATOM 18 N N . PHE A 1 3 ? -11.647 -0.014 4.851 1.00 89.22 3 A 1 ATOM 19 C CA . PHE A 1 3 ? -10.314 0.574 4.934 1.00 92.00 3 A 1 ATOM 20 C C . PHE A 1 3 ? -9.240 -0.385 4.424 1.00 93.92 3 A 1 ATOM 21 O O . PHE A 1 3 ? -8.108 -0.380 4.912 1.00 91.94 3 A 1 ATOM 22 C CB . PHE A 1 3 ? -10.017 0.968 6.378 1.00 89.85 3 A 1 ATOM 23 C CG . PHE A 1 3 ? -10.954 2.017 6.912 1.00 85.34 3 A 1 ATOM 24 C CD1 . PHE A 1 3 ? -10.954 3.297 6.381 1.00 82.91 3 A 1 ATOM 25 C CD2 . PHE A 1 3 ? -11.828 1.712 7.940 1.00 81.88 3 A 1 ATOM 26 C CE1 . PHE A 1 3 ? -11.811 4.270 6.866 1.00 80.06 3 A 1 ATOM 27 C CE2 . PHE A 1 3 ? -12.692 2.681 8.436 1.00 80.72 3 A 1 ATOM 28 C CZ . PHE A 1 3 ? -12.683 3.960 7.898 1.00 78.40 3 A 1 ATOM 29 N N . LEU A 1 4 ? -9.594 -1.201 3.444 1.00 92.40 4 A 1 ATOM 30 C CA . LEU A 1 4 ? -8.640 -2.148 2.864 1.00 92.50 4 A 1 ATOM 31 C C . LEU A 1 4 ? -7.632 -1.421 1.981 1.00 94.05 4 A 1 ATOM 32 O O . LEU A 1 4 ? -6.503 -1.883 1.808 1.00 93.65 4 A 1 ATOM 33 C CB . LEU A 1 4 ? -9.397 -3.198 2.051 1.00 91.78 4 A 1 ATOM 34 C CG . LEU A 1 4 ? -10.044 -4.269 2.918 1.00 83.89 4 A 1 ATOM 35 C CD1 . LEU A 1 4 ? -11.202 -4.915 2.174 1.00 79.94 4 A 1 ATOM 36 C CD2 . LEU A 1 4 ? -9.015 -5.326 3.296 1.00 79.93 4 A 1 ATOM 37 N N . LEU A 1 5 ? -8.037 -0.297 1.439 1.00 92.92 5 A 1 ATOM 38 C CA . LEU A 1 5 ? -7.163 0.507 0.585 1.00 93.87 5 A 1 ATOM 39 C C . LEU A 1 5 ? -5.978 1.043 1.378 1.00 94.93 5 A 1 ATOM 40 O O . LEU A 1 5 ? -4.858 1.099 0.871 1.00 94.96 5 A 1 ATOM 41 C CB . LEU A 1 5 ? -7.967 1.659 -0.022 1.00 93.77 5 A 1 ATOM 42 C CG . LEU A 1 5 ? -7.175 2.475 -1.040 1.00 85.97 5 A 1 ATOM 43 C CD1 . LEU A 1 5 ? -7.993 2.675 -2.307 1.00 83.39 5 A 1 ATOM 44 C CD2 . LEU A 1 5 ? -6.798 3.822 -0.457 1.00 84.43 5 A 1 ATOM 45 N N . LEU A 1 6 ? -6.218 1.430 2.631 1.00 95.38 6 A 1 ATOM 46 C CA . LEU A 1 6 ? -5.160 1.955 3.492 1.00 95.39 6 A 1 ATOM 47 C C . LEU A 1 6 ? -4.107 0.885 3.761 1.00 96.12 6 A 1 ATOM 48 O O . LEU A 1 6 ? -2.911 1.165 3.766 1.00 96.17 6 A 1 ATOM 49 C CB . LEU A 1 6 ? -5.765 2.448 4.811 1.00 95.12 6 A 1 ATOM 50 C CG . LEU A 1 6 ? -4.935 3.543 5.485 1.00 88.30 6 A 1 ATOM 51 C CD1 . LEU A 1 6 ? -5.265 4.903 4.879 1.00 84.62 6 A 1 ATOM 52 C CD2 . LEU A 1 6 ? -5.206 3.562 6.981 1.00 85.73 6 A 1 ATOM 53 N N . SER A 1 7 ? -4.556 -0.337 3.977 1.00 96.84 7 A 1 ATOM 54 C CA . SER A 1 7 ? -3.652 -1.454 4.241 1.00 97.07 7 A 1 ATOM 55 C C . SER A 1 7 ? -2.761 -1.716 3.032 1.00 97.47 7 A 1 ATOM 56 O O . SER A 1 7 ? -1.567 -1.974 3.175 1.00 96.97 7 A 1 ATOM 57 C CB . SER A 1 7 ? -4.461 -2.700 4.580 1.00 96.34 7 A 1 ATOM 58 O OG . SER A 1 7 ? -3.639 -3.648 5.213 1.00 87.98 7 A 1 ATOM 59 N N . THR A 1 8 ? -3.336 -1.636 1.855 1.00 95.72 8 A 1 ATOM 60 C CA . THR A 1 8 ? -2.589 -1.850 0.617 1.00 95.86 8 A 1 ATOM 61 C C . THR A 1 8 ? -1.603 -0.710 0.385 1.00 96.40 8 A 1 ATOM 62 O O . THR A 1 8 ? -0.488 -0.932 -0.091 1.00 95.63 8 A 1 ATOM 63 C CB . THR A 1 8 ? -3.551 -1.951 -0.566 1.00 95.32 8 A 1 ATOM 64 O OG1 . THR A 1 8 ? -4.598 -2.857 -0.255 1.00 91.09 8 A 1 ATOM 65 C CG2 . THR A 1 8 ? -2.829 -2.464 -1.804 1.00 88.67 8 A 1 ATOM 66 N N . PHE A 1 9 ? -2.009 0.494 0.728 1.00 96.56 9 A 1 ATOM 67 C CA . PHE A 1 9 ? -1.158 1.670 0.566 1.00 96.59 9 A 1 ATOM 68 C C . PHE A 1 9 ? 0.096 1.545 1.426 1.00 97.06 9 A 1 ATOM 69 O O . PHE A 1 9 ? 1.205 1.804 0.963 1.00 96.79 9 A 1 ATOM 70 C CB . PHE A 1 9 ? -1.939 2.924 0.946 1.00 96.22 9 A 1 ATOM 71 C CG . PHE A 1 9 ? -1.188 4.193 0.616 1.00 94.21 9 A 1 ATOM 72 C CD1 . PHE A 1 9 ? -0.986 4.568 -0.703 1.00 90.32 9 A 1 ATOM 73 C CD2 . PHE A 1 9 ? -0.689 4.987 1.634 1.00 91.84 9 A 1 ATOM 74 C CE1 . PHE A 1 9 ? -0.292 5.731 -1.012 1.00 89.82 9 A 1 ATOM 75 C CE2 . PHE A 1 9 ? 0.013 6.156 1.331 1.00 90.59 9 A 1 ATOM 76 C CZ . PHE A 1 9 ? 0.212 6.527 0.008 1.00 91.06 9 A 1 ATOM 77 N N . ILE A 1 10 ? -0.088 1.142 2.674 1.00 97.31 10 A 1 ATOM 78 C CA . ILE A 1 10 ? 1.037 0.976 3.596 1.00 97.10 10 A 1 ATOM 79 C C . ILE A 1 10 ? 1.944 -0.155 3.121 1.00 97.34 10 A 1 ATOM 80 O O . ILE A 1 10 ? 3.171 -0.070 3.219 1.00 96.93 10 A 1 ATOM 81 C CB . ILE A 1 10 ? 0.527 0.703 5.024 1.00 96.63 10 A 1 ATOM 82 C CG1 . ILE A 1 10 ? -0.217 1.928 5.568 1.00 94.64 10 A 1 ATOM 83 C CG2 . ILE A 1 10 ? 1.707 0.373 5.953 1.00 93.26 10 A 1 ATOM 84 C CD1 . ILE A 1 10 ? -1.131 1.598 6.726 1.00 88.98 10 A 1 ATOM 85 N N . PHE A 1 11 ? 1.336 -1.205 2.603 1.00 97.05 11 A 1 ATOM 86 C CA . PHE A 1 11 ? 2.091 -2.345 2.091 1.00 96.78 11 A 1 ATOM 87 C C . PHE A 1 11 ? 2.980 -1.920 0.925 1.00 97.16 11 A 1 ATOM 88 O O . PHE A 1 11 ? 4.139 -2.330 0.839 1.00 96.60 11 A 1 ATOM 89 C CB . PHE A 1 11 ? 1.117 -3.439 1.646 1.00 96.30 11 A 1 ATOM 90 C CG . PHE A 1 11 ? 1.824 -4.652 1.093 1.00 93.92 11 A 1 ATOM 91 C CD1 . PHE A 1 11 ? 2.636 -5.425 1.910 1.00 90.59 11 A 1 ATOM 92 C CD2 . PHE A 1 11 ? 1.670 -5.005 -0.241 1.00 91.62 11 A 1 ATOM 93 C CE1 . PHE A 1 11 ? 3.291 -6.544 1.406 1.00 89.58 11 A 1 ATOM 94 C CE2 . PHE A 1 11 ? 2.326 -6.125 -0.752 1.00 90.25 11 A 1 ATOM 95 C CZ . PHE A 1 11 ? 3.135 -6.891 0.071 1.00 90.88 11 A 1 ATOM 96 N N . LEU A 1 12 ? 2.436 -1.104 0.042 1.00 97.06 12 A 1 ATOM 97 C CA . LEU A 1 12 ? 3.196 -0.608 -1.103 1.00 97.01 12 A 1 ATOM 98 C C . LEU A 1 12 ? 4.300 0.338 -0.651 1.00 97.26 12 A 1 ATOM 99 O O . LEU A 1 12 ? 5.411 0.309 -1.186 1.00 97.07 12 A 1 ATOM 100 C CB . LEU A 1 12 ? 2.247 0.108 -2.065 1.00 96.74 12 A 1 ATOM 101 C CG . LEU A 1 12 ? 1.616 -0.834 -3.085 1.00 90.70 12 A 1 ATOM 102 C CD1 . LEU A 1 12 ? 0.238 -0.335 -3.493 1.00 86.08 12 A 1 ATOM 103 C CD2 . LEU A 1 12 ? 2.511 -0.938 -4.316 1.00 87.77 12 A 1 ATOM 104 N N . TYR A 1 13 ? 3.991 1.153 0.335 1.00 97.47 13 A 1 ATOM 105 C CA . TYR A 1 13 ? 4.954 2.113 0.874 1.00 97.44 13 A 1 ATOM 106 C C . TYR A 1 13 ? 6.139 1.376 1.495 1.00 97.53 13 A 1 ATOM 107 O O . TYR A 1 13 ? 7.295 1.750 1.289 1.00 97.16 13 A 1 ATOM 108 C CB . TYR A 1 13 ? 4.267 2.996 1.921 1.00 97.05 13 A 1 ATOM 109 C CG . TYR A 1 13 ? 4.620 4.466 1.766 1.00 93.32 13 A 1 ATOM 110 C CD1 . TYR A 1 13 ? 5.890 4.934 2.078 1.00 91.64 13 A 1 ATOM 111 C CD2 . TYR A 1 13 ? 3.663 5.370 1.307 1.00 91.70 13 A 1 ATOM 112 C CE1 . TYR A 1 13 ? 6.205 6.280 1.931 1.00 90.59 13 A 1 ATOM 113 C CE2 . TYR A 1 13 ? 3.973 6.722 1.162 1.00 91.57 13 A 1 ATOM 114 C CZ . TYR A 1 13 ? 5.245 7.171 1.475 1.00 91.76 13 A 1 ATOM 115 O OH . TYR A 1 13 ? 5.558 8.503 1.332 1.00 89.29 13 A 1 ATOM 116 N N . SER A 1 14 ? 5.856 0.326 2.242 1.00 97.75 14 A 1 ATOM 117 C CA . SER A 1 14 ? 6.898 -0.471 2.886 1.00 97.53 14 A 1 ATOM 118 C C . SER A 1 14 ? 7.712 -1.238 1.849 1.00 97.64 14 A 1 ATOM 119 O O . SER A 1 14 ? 8.925 -1.372 1.980 1.00 96.48 14 A 1 ATOM 120 C CB . SER A 1 14 ? 6.271 -1.439 3.886 1.00 96.86 14 A 1 ATOM 121 O OG . SER A 1 14 ? 5.918 -0.768 5.076 1.00 90.51 14 A 1 ATOM 122 N N . SER A 1 15 ? 7.052 -1.727 0.816 1.00 97.59 15 A 1 ATOM 123 C CA . SER A 1 15 ? 7.717 -2.463 -0.254 1.00 97.44 15 A 1 ATOM 124 C C . SER A 1 15 ? 8.741 -1.579 -0.962 1.00 97.55 15 A 1 ATOM 125 O O . SER A 1 15 ? 9.827 -2.040 -1.316 1.00 96.35 15 A 1 ATOM 126 C CB . SER A 1 15 ? 6.681 -2.972 -1.251 1.00 96.87 15 A 1 ATOM 127 O OG . SER A 1 15 ? 7.203 -4.051 -1.981 1.00 91.61 15 A 1 ATOM 128 N N . LEU A 1 16 ? 8.403 -0.324 -1.153 1.00 97.24 16 A 1 ATOM 129 C CA . LEU A 1 16 ? 9.290 0.639 -1.803 1.00 96.83 16 A 1 ATOM 130 C C . LEU A 1 16 ? 10.445 1.010 -0.881 1.00 97.09 16 A 1 ATOM 131 O O . LEU A 1 16 ? 11.579 1.192 -1.328 1.00 96.44 16 A 1 ATOM 132 C CB . LEU A 1 16 ? 8.483 1.882 -2.204 1.00 96.13 16 A 1 ATOM 133 C CG . LEU A 1 16 ? 9.119 2.764 -3.290 1.00 90.26 16 A 1 ATOM 134 C CD1 . LEU A 1 16 ? 10.290 3.555 -2.752 1.00 84.71 16 A 1 ATOM 135 C CD2 . LEU A 1 16 ? 9.543 1.911 -4.479 1.00 85.69 16 A 1 ATOM 136 N N . ALA A 1 17 ? 10.158 1.135 0.411 1.00 97.34 17 A 1 ATOM 137 C CA . ALA A 1 17 ? 11.175 1.492 1.401 1.00 97.37 17 A 1 ATOM 138 C C . ALA A 1 17 ? 12.172 0.355 1.611 1.00 97.59 17 A 1 ATOM 139 O O . ALA A 1 17 ? 13.354 0.597 1.852 1.00 96.51 17 A 1 ATOM 140 C CB . ALA A 1 17 ? 10.505 1.863 2.720 1.00 96.24 17 A 1 ATOM 141 N N . LEU A 1 18 ? 11.695 -0.886 1.531 1.00 96.56 18 A 1 ATOM 142 C CA . LEU A 1 18 ? 12.552 -2.055 1.719 1.00 96.05 18 A 1 ATOM 143 C C . LEU A 1 18 ? 13.436 -2.296 0.499 1.00 96.15 18 A 1 ATOM 144 O O . LEU A 1 18 ? 14.562 -2.781 0.628 1.00 94.69 18 A 1 ATOM 145 C CB . LEU A 1 18 ? 11.684 -3.288 1.999 1.00 94.70 18 A 1 ATOM 146 C CG . LEU A 1 18 ? 11.503 -3.638 3.480 1.00 89.40 18 A 1 ATOM 147 C CD1 . LEU A 1 18 ? 12.834 -4.024 4.095 1.00 82.89 18 A 1 ATOM 148 C CD2 . LEU A 1 18 ? 10.899 -2.470 4.237 1.00 81.22 18 A 1 ATOM 149 N N . ALA A 1 19 ? 12.924 -1.966 -0.671 1.00 93.38 19 A 1 ATOM 150 C CA . ALA A 1 19 ? 13.658 -2.159 -1.922 1.00 91.09 19 A 1 ATOM 151 C C . ALA A 1 19 ? 14.709 -1.065 -2.112 1.00 88.47 19 A 1 ATOM 152 O O . ALA A 1 19 ? 15.603 -1.241 -2.959 1.00 84.99 19 A 1 ATOM 153 C CB . ALA A 1 19 ? 12.674 -2.176 -3.088 1.00 87.20 19 A 1 ATOM 154 O OXT . ALA A 1 19 ? 14.646 -0.018 -1.452 1.00 77.92 19 A 1 #