# 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_spkb35594 # _entry.id spkb35594 # 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 "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "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" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)O ? "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 SER 2 1 n LYS 3 1 n LEU 4 1 n GLY 5 1 n VAL 6 1 n VAL 7 1 n LEU 8 1 n PHE 9 1 n THR 10 1 n LEU 11 1 n LEU 12 1 n LEU 13 1 n LEU 14 1 n VAL 15 1 n PRO 16 1 n LEU 17 1 n VAL 18 1 n THR 19 1 n PRO 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 @ 2025-07-04 10:29:44)" _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 92.45 _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 79.85 1 1 A SER 2 2 90.07 1 2 A LYS 3 2 88.48 1 3 A LEU 4 2 91.11 1 4 A GLY 5 2 95.59 1 5 A VAL 6 2 94.86 1 6 A VAL 7 2 96.01 1 7 A LEU 8 2 92.68 1 8 A PHE 9 2 93.47 1 9 A THR 10 2 93.43 1 10 A LEU 11 2 93.27 1 11 A LEU 12 2 93.36 1 12 A LEU 13 2 93.56 1 13 A LEU 14 2 93.88 1 14 A VAL 15 2 95.50 1 15 A PRO 16 2 96.04 1 16 A LEU 17 2 93.42 1 17 A VAL 18 2 94.33 1 18 A THR 19 2 92.95 1 19 A PRO 20 2 90.12 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 SER . 2 A 2 A 3 1 n LYS . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n GLY . 5 A 5 A 6 1 n VAL . 6 A 6 A 7 1 n VAL . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n PHE . 9 A 9 A 10 1 n THR . 10 A 10 A 11 1 n LEU . 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 VAL . 15 A 15 A 16 1 n PRO . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n VAL . 18 A 18 A 19 1 n THR . 19 A 19 A 20 1 n PRO . 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 ? -15.371 4.983 4.323 1.00 86.51 1 A 1 ATOM 2 C CA . MET A 1 1 ? -13.944 4.653 4.186 1.00 88.67 1 A 1 ATOM 3 C C . MET A 1 1 ? -13.734 3.146 4.208 1.00 88.45 1 A 1 ATOM 4 O O . MET A 1 1 ? -14.503 2.418 4.828 1.00 83.50 1 A 1 ATOM 5 C CB . MET A 1 1 ? -13.127 5.276 5.323 1.00 81.23 1 A 1 ATOM 6 C CG . MET A 1 1 ? -13.148 6.791 5.297 1.00 75.10 1 A 1 ATOM 7 S SD . MET A 1 1 ? -12.207 7.502 6.652 1.00 71.94 1 A 1 ATOM 8 C CE . MET A 1 1 ? -12.390 9.240 6.287 1.00 63.44 1 A 1 ATOM 9 N N . SER A 1 2 ? -12.688 2.689 3.557 1.00 90.89 2 A 1 ATOM 10 C CA . SER A 1 2 ? -12.380 1.263 3.511 1.00 93.85 2 A 1 ATOM 11 C C . SER A 1 2 ? -10.984 1.000 4.072 1.00 95.03 2 A 1 ATOM 12 O O . SER A 1 2 ? -10.030 1.695 3.715 1.00 92.42 2 A 1 ATOM 13 C CB . SER A 1 2 ? -12.461 0.744 2.081 1.00 89.90 2 A 1 ATOM 14 O OG . SER A 1 2 ? -12.162 -0.639 2.030 1.00 78.33 2 A 1 ATOM 15 N N . LYS A 1 3 ? -10.871 -0.020 4.935 1.00 94.41 3 A 1 ATOM 16 C CA . LYS A 1 3 ? -9.577 -0.375 5.517 1.00 95.76 3 A 1 ATOM 17 C C . LYS A 1 3 ? -8.616 -0.855 4.437 1.00 95.65 3 A 1 ATOM 18 O O . LYS A 1 3 ? -7.426 -0.548 4.477 1.00 94.04 3 A 1 ATOM 19 C CB . LYS A 1 3 ? -9.749 -1.466 6.575 1.00 94.88 3 A 1 ATOM 20 C CG . LYS A 1 3 ? -10.480 -0.984 7.813 1.00 88.77 3 A 1 ATOM 21 C CD . LYS A 1 3 ? -10.569 -2.092 8.849 1.00 84.73 3 A 1 ATOM 22 C CE . LYS A 1 3 ? -11.264 -1.609 10.109 1.00 78.20 3 A 1 ATOM 23 N NZ . LYS A 1 3 ? -11.350 -2.692 11.127 1.00 69.89 3 A 1 ATOM 24 N N . LEU A 1 4 ? -9.140 -1.603 3.481 1.00 95.09 4 A 1 ATOM 25 C CA . LEU A 1 4 ? -8.330 -2.130 2.391 1.00 95.41 4 A 1 ATOM 26 C C . LEU A 1 4 ? -7.660 -1.003 1.616 1.00 95.80 4 A 1 ATOM 27 O O . LEU A 1 4 ? -6.472 -1.067 1.298 1.00 94.44 4 A 1 ATOM 28 C CB . LEU A 1 4 ? -9.197 -2.976 1.450 1.00 94.25 4 A 1 ATOM 29 C CG . LEU A 1 4 ? -9.394 -4.429 1.887 1.00 88.41 4 A 1 ATOM 30 C CD1 . LEU A 1 4 ? -8.071 -5.162 1.849 1.00 83.60 4 A 1 ATOM 31 C CD2 . LEU A 1 4 ? -9.990 -4.494 3.280 1.00 81.88 4 A 1 ATOM 32 N N . GLY A 1 5 ? -8.431 0.024 1.315 1.00 95.10 5 A 1 ATOM 33 C CA . GLY A 1 5 ? -7.894 1.155 0.570 1.00 95.55 5 A 1 ATOM 34 C C . GLY A 1 5 ? -6.844 1.925 1.351 1.00 96.37 5 A 1 ATOM 35 O O . GLY A 1 5 ? -5.781 2.252 0.825 1.00 95.36 5 A 1 ATOM 36 N N . VAL A 1 6 ? -7.128 2.213 2.617 1.00 96.13 6 A 1 ATOM 37 C CA . VAL A 1 6 ? -6.204 2.967 3.465 1.00 96.43 6 A 1 ATOM 38 C C . VAL A 1 6 ? -4.927 2.182 3.746 1.00 96.61 6 A 1 ATOM 39 O O . VAL A 1 6 ? -3.818 2.694 3.574 1.00 95.67 6 A 1 ATOM 40 C CB . VAL A 1 6 ? -6.869 3.348 4.794 1.00 95.68 6 A 1 ATOM 41 C CG1 . VAL A 1 6 ? -5.878 4.073 5.698 1.00 91.87 6 A 1 ATOM 42 C CG2 . VAL A 1 6 ? -8.086 4.219 4.538 1.00 91.65 6 A 1 ATOM 43 N N . VAL A 1 7 ? -5.086 0.947 4.196 1.00 96.82 7 A 1 ATOM 44 C CA . VAL A 1 7 ? -3.933 0.103 4.519 1.00 96.97 7 A 1 ATOM 45 C C . VAL A 1 7 ? -3.071 -0.150 3.289 1.00 96.91 7 A 1 ATOM 46 O O . VAL A 1 7 ? -1.850 0.018 3.327 1.00 96.24 7 A 1 ATOM 47 C CB . VAL A 1 7 ? -4.383 -1.243 5.114 1.00 96.69 7 A 1 ATOM 48 C CG1 . VAL A 1 7 ? -3.187 -2.164 5.337 1.00 94.51 7 A 1 ATOM 49 C CG2 . VAL A 1 7 ? -5.113 -1.014 6.427 1.00 93.92 7 A 1 ATOM 50 N N . LEU A 1 8 ? -3.707 -0.560 2.209 1.00 96.02 8 A 1 ATOM 51 C CA . LEU A 1 8 ? -2.986 -0.857 0.974 1.00 96.09 8 A 1 ATOM 52 C C . LEU A 1 8 ? -2.265 0.381 0.457 1.00 96.32 8 A 1 ATOM 53 O O . LEU A 1 8 ? -1.090 0.333 0.086 1.00 95.91 8 A 1 ATOM 54 C CB . LEU A 1 8 ? -3.960 -1.385 -0.085 1.00 95.66 8 A 1 ATOM 55 C CG . LEU A 1 8 ? -3.482 -2.644 -0.809 1.00 89.01 8 A 1 ATOM 56 C CD1 . LEU A 1 8 ? -2.173 -2.397 -1.519 1.00 86.08 8 A 1 ATOM 57 C CD2 . LEU A 1 8 ? -3.342 -3.775 0.205 1.00 86.36 8 A 1 ATOM 58 N N . PHE A 1 9 ? -2.983 1.488 0.436 1.00 96.09 9 A 1 ATOM 59 C CA . PHE A 1 9 ? -2.408 2.743 -0.037 1.00 95.94 9 A 1 ATOM 60 C C . PHE A 1 9 ? -1.218 3.159 0.826 1.00 96.22 9 A 1 ATOM 61 O O . PHE A 1 9 ? -0.192 3.606 0.315 1.00 95.65 9 A 1 ATOM 62 C CB . PHE A 1 9 ? -3.473 3.836 -0.011 1.00 95.65 9 A 1 ATOM 63 C CG . PHE A 1 9 ? -2.988 5.133 -0.605 1.00 94.19 9 A 1 ATOM 64 C CD1 . PHE A 1 9 ? -2.876 5.282 -1.977 1.00 90.95 9 A 1 ATOM 65 C CD2 . PHE A 1 9 ? -2.650 6.195 0.215 1.00 91.38 9 A 1 ATOM 66 C CE1 . PHE A 1 9 ? -2.431 6.472 -2.529 1.00 90.43 9 A 1 ATOM 67 C CE2 . PHE A 1 9 ? -2.197 7.394 -0.332 1.00 90.52 9 A 1 ATOM 68 C CZ . PHE A 1 9 ? -2.088 7.532 -1.703 1.00 91.17 9 A 1 ATOM 69 N N . THR A 1 10 ? -1.354 3.008 2.136 1.00 95.41 10 A 1 ATOM 70 C CA . THR A 1 10 ? -0.278 3.365 3.059 1.00 95.53 10 A 1 ATOM 71 C C . THR A 1 10 ? 0.958 2.505 2.811 1.00 95.85 10 A 1 ATOM 72 O O . THR A 1 10 ? 2.083 3.007 2.795 1.00 94.82 10 A 1 ATOM 73 C CB . THR A 1 10 ? -0.724 3.188 4.515 1.00 95.06 10 A 1 ATOM 74 O OG1 . THR A 1 10 ? -1.849 4.014 4.780 1.00 89.69 10 A 1 ATOM 75 C CG2 . THR A 1 10 ? 0.398 3.579 5.469 1.00 87.68 10 A 1 ATOM 76 N N . LEU A 1 11 ? 0.757 1.208 2.622 1.00 96.00 11 A 1 ATOM 77 C CA . LEU A 1 11 ? 1.865 0.290 2.373 1.00 95.73 11 A 1 ATOM 78 C C . LEU A 1 11 ? 2.618 0.684 1.110 1.00 95.91 11 A 1 ATOM 79 O O . LEU A 1 11 ? 3.848 0.622 1.064 1.00 95.18 11 A 1 ATOM 80 C CB . LEU A 1 11 ? 1.340 -1.139 2.234 1.00 95.48 11 A 1 ATOM 81 C CG . LEU A 1 11 ? 0.831 -1.738 3.544 1.00 91.02 11 A 1 ATOM 82 C CD1 . LEU A 1 11 ? 0.165 -3.081 3.283 1.00 87.94 11 A 1 ATOM 83 C CD2 . LEU A 1 11 ? 1.967 -1.899 4.541 1.00 88.92 11 A 1 ATOM 84 N N . LEU A 1 12 ? 1.890 1.085 0.096 1.00 95.92 12 A 1 ATOM 85 C CA . LEU A 1 12 ? 2.503 1.498 -1.162 1.00 95.91 12 A 1 ATOM 86 C C . LEU A 1 12 ? 3.353 2.746 -0.964 1.00 96.31 12 A 1 ATOM 87 O O . LEU A 1 12 ? 4.390 2.912 -1.611 1.00 95.76 12 A 1 ATOM 88 C CB . LEU A 1 12 ? 1.421 1.769 -2.206 1.00 95.66 12 A 1 ATOM 89 C CG . LEU A 1 12 ? 0.686 0.516 -2.675 1.00 91.21 12 A 1 ATOM 90 C CD1 . LEU A 1 12 ? -0.474 0.896 -3.577 1.00 87.68 12 A 1 ATOM 91 C CD2 . LEU A 1 12 ? 1.639 -0.423 -3.401 1.00 88.46 12 A 1 ATOM 92 N N . LEU A 1 13 ? 2.925 3.611 -0.069 1.00 95.97 13 A 1 ATOM 93 C CA . LEU A 1 13 ? 3.659 4.838 0.216 1.00 95.94 13 A 1 ATOM 94 C C . LEU A 1 13 ? 4.928 4.546 1.011 1.00 96.39 13 A 1 ATOM 95 O O . LEU A 1 13 ? 5.896 5.307 0.953 1.00 95.63 13 A 1 ATOM 96 C CB . LEU A 1 13 ? 2.773 5.808 0.998 1.00 95.57 13 A 1 ATOM 97 C CG . LEU A 1 13 ? 1.574 6.345 0.210 1.00 92.12 13 A 1 ATOM 98 C CD1 . LEU A 1 13 ? 0.712 7.213 1.112 1.00 88.59 13 A 1 ATOM 99 C CD2 . LEU A 1 13 ? 2.044 7.138 -1.001 1.00 88.24 13 A 1 ATOM 100 N N . LEU A 1 14 ? 4.933 3.438 1.752 1.00 96.29 14 A 1 ATOM 101 C CA . LEU A 1 14 ? 6.091 3.058 2.552 1.00 96.50 14 A 1 ATOM 102 C C . LEU A 1 14 ? 7.214 2.537 1.669 1.00 96.96 14 A 1 ATOM 103 O O . LEU A 1 14 ? 8.393 2.665 2.010 1.00 96.17 14 A 1 ATOM 104 C CB . LEU A 1 14 ? 5.698 1.987 3.570 1.00 95.93 14 A 1 ATOM 105 C CG . LEU A 1 14 ? 4.739 2.475 4.660 1.00 91.74 14 A 1 ATOM 106 C CD1 . LEU A 1 14 ? 4.279 1.307 5.520 1.00 88.81 14 A 1 ATOM 107 C CD2 . LEU A 1 14 ? 5.406 3.534 5.524 1.00 88.60 14 A 1 ATOM 108 N N . VAL A 1 15 ? 6.868 1.951 0.541 1.00 96.95 15 A 1 ATOM 109 C CA . VAL A 1 15 ? 7.856 1.411 -0.391 1.00 96.77 15 A 1 ATOM 110 C C . VAL A 1 15 ? 8.889 2.463 -0.801 1.00 97.11 15 A 1 ATOM 111 O O . VAL A 1 15 ? 10.095 2.232 -0.661 1.00 96.33 15 A 1 ATOM 112 C CB . VAL A 1 15 ? 7.178 0.821 -1.636 1.00 95.89 15 A 1 ATOM 113 C CG1 . VAL A 1 15 ? 8.227 0.340 -2.631 1.00 92.60 15 A 1 ATOM 114 C CG2 . VAL A 1 15 ? 6.270 -0.324 -1.241 1.00 92.82 15 A 1 ATOM 115 N N . PRO A 1 16 ? 8.459 3.602 -1.316 1.00 96.89 16 A 1 ATOM 116 C CA . PRO A 1 16 ? 9.401 4.648 -1.738 1.00 96.71 16 A 1 ATOM 117 C C . PRO A 1 16 ? 10.245 5.168 -0.583 1.00 96.97 16 A 1 ATOM 118 O O . PRO A 1 16 ? 11.364 5.633 -0.790 1.00 95.62 16 A 1 ATOM 119 C CB . PRO A 1 16 ? 8.496 5.750 -2.297 1.00 95.60 16 A 1 ATOM 120 C CG . PRO A 1 16 ? 7.157 5.491 -1.699 1.00 94.32 16 A 1 ATOM 121 C CD . PRO A 1 16 ? 7.074 3.999 -1.546 1.00 96.18 16 A 1 ATOM 122 N N . LEU A 1 17 ? 9.730 5.079 0.632 1.00 96.61 17 A 1 ATOM 123 C CA . LEU A 1 17 ? 10.467 5.530 1.807 1.00 96.61 17 A 1 ATOM 124 C C . LEU A 1 17 ? 11.602 4.569 2.127 1.00 96.79 17 A 1 ATOM 125 O O . LEU A 1 17 ? 12.685 4.984 2.550 1.00 95.28 17 A 1 ATOM 126 C CB . LEU A 1 17 ? 9.527 5.637 3.010 1.00 95.94 17 A 1 ATOM 127 C CG . LEU A 1 17 ? 8.448 6.712 2.867 1.00 91.60 17 A 1 ATOM 128 C CD1 . LEU A 1 17 ? 7.494 6.657 4.050 1.00 87.37 17 A 1 ATOM 129 C CD2 . LEU A 1 17 ? 9.081 8.089 2.764 1.00 87.17 17 A 1 ATOM 130 N N . VAL A 1 18 ? 11.354 3.275 1.938 1.00 96.97 18 A 1 ATOM 131 C CA . VAL A 1 18 ? 12.361 2.250 2.191 1.00 96.36 18 A 1 ATOM 132 C C . VAL A 1 18 ? 13.330 2.141 1.026 1.00 96.43 18 A 1 ATOM 133 O O . VAL A 1 18 ? 14.533 1.929 1.217 1.00 94.82 18 A 1 ATOM 134 C CB . VAL A 1 18 ? 11.705 0.887 2.441 1.00 95.14 18 A 1 ATOM 135 C CG1 . VAL A 1 18 ? 12.766 -0.188 2.652 1.00 90.13 18 A 1 ATOM 136 C CG2 . VAL A 1 18 ? 10.781 0.959 3.638 1.00 90.48 18 A 1 ATOM 137 N N . THR A 1 19 ? 12.813 2.277 -0.174 1.00 96.60 19 A 1 ATOM 138 C CA . THR A 1 19 ? 13.633 2.176 -1.378 1.00 96.12 19 A 1 ATOM 139 C C . THR A 1 19 ? 13.722 3.525 -2.087 1.00 95.26 19 A 1 ATOM 140 O O . THR A 1 19 ? 12.888 3.859 -2.929 1.00 92.07 19 A 1 ATOM 141 C CB . THR A 1 19 ? 13.049 1.138 -2.342 1.00 94.65 19 A 1 ATOM 142 O OG1 . THR A 1 19 ? 11.727 1.497 -2.719 1.00 88.53 19 A 1 ATOM 143 C CG2 . THR A 1 19 ? 13.026 -0.233 -1.687 1.00 87.39 19 A 1 ATOM 144 N N . PRO A 1 20 ? 14.747 4.314 -1.749 1.00 94.60 20 A 1 ATOM 145 C CA . PRO A 1 20 ? 14.916 5.643 -2.344 1.00 93.70 20 A 1 ATOM 146 C C . PRO A 1 20 ? 15.260 5.566 -3.832 1.00 91.86 20 A 1 ATOM 147 O O . PRO A 1 20 ? 15.867 4.578 -4.261 1.00 85.94 20 A 1 ATOM 148 C CB . PRO A 1 20 ? 16.077 6.237 -1.544 1.00 89.12 20 A 1 ATOM 149 C CG . PRO A 1 20 ? 16.850 5.047 -1.083 1.00 87.30 20 A 1 ATOM 150 C CD . PRO A 1 20 ? 15.804 3.985 -0.810 1.00 92.25 20 A 1 ATOM 151 O OXT . PRO A 1 20 ? 14.907 6.513 -4.567 1.00 86.20 20 A 1 #