# 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_spkb07524 # _entry.id spkb07524 # 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" "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 LYS 2 1 n VAL 3 1 n LEU 4 1 n VAL 5 1 n ILE 6 1 n ILE 7 1 n ALA 8 1 n LEU 9 1 n CYS 10 1 n PHE 11 1 n PHE 12 1 n ILE 13 1 n LEU 14 1 n GLN 15 1 n THR 16 1 n ALA 17 1 n LEU 18 1 n SER 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 @ 2025-07-09 09:51:53)" _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 95.27 _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 90.07 1 1 A LYS 2 2 90.09 1 2 A VAL 3 2 97.10 1 3 A LEU 4 2 94.48 1 4 A VAL 5 2 97.65 1 5 A ILE 6 2 97.30 1 6 A ILE 7 2 97.15 1 7 A ALA 8 2 98.47 1 8 A LEU 9 2 96.33 1 9 A CYS 10 2 97.59 1 10 A PHE 11 2 94.96 1 11 A PHE 12 2 95.85 1 12 A ILE 13 2 97.53 1 13 A LEU 14 2 95.85 1 14 A GLN 15 2 94.01 1 15 A THR 16 2 96.82 1 16 A ALA 17 2 98.46 1 17 A LEU 18 2 95.53 1 18 A SER 19 2 88.53 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 VAL . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n VAL . 5 A 5 A 6 1 n ILE . 6 A 6 A 7 1 n ILE . 7 A 7 A 8 1 n ALA . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n CYS . 10 A 10 A 11 1 n PHE . 11 A 11 A 12 1 n PHE . 12 A 12 A 13 1 n ILE . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n GLN . 15 A 15 A 16 1 n THR . 16 A 16 A 17 1 n ALA . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n SER . 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 ? -6.420 12.965 -2.483 1.00 96.00 1 A 1 ATOM 2 C CA . MET A 1 1 ? -6.500 11.495 -2.356 1.00 96.66 1 A 1 ATOM 3 C C . MET A 1 1 ? -5.338 10.982 -1.516 1.00 96.93 1 A 1 ATOM 4 O O . MET A 1 1 ? -4.304 10.611 -2.054 1.00 95.00 1 A 1 ATOM 5 C CB . MET A 1 1 ? -6.463 10.841 -3.740 1.00 93.92 1 A 1 ATOM 6 C CG . MET A 1 1 ? -7.688 11.175 -4.563 1.00 86.31 1 A 1 ATOM 7 S SD . MET A 1 1 ? -7.641 10.402 -6.184 1.00 82.77 1 A 1 ATOM 8 C CE . MET A 1 1 ? -7.489 11.826 -7.235 1.00 72.95 1 A 1 ATOM 9 N N . LYS A 1 2 ? -5.504 11.013 -0.204 1.00 96.98 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -4.434 10.598 0.707 1.00 97.34 2 A 1 ATOM 11 C C . LYS A 1 2 ? -4.663 9.176 1.214 1.00 97.62 2 A 1 ATOM 12 O O . LYS A 1 2 ? -3.741 8.372 1.251 1.00 97.13 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -4.343 11.585 1.874 1.00 96.38 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -3.986 12.996 1.428 1.00 89.07 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -4.019 13.974 2.584 1.00 85.62 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -3.727 15.388 2.106 1.00 78.94 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -3.854 16.379 3.205 1.00 71.69 2 A 1 ATOM 18 N N . VAL A 1 3 ? -5.893 8.882 1.574 1.00 98.13 3 A 1 ATOM 19 C CA . VAL A 1 3 ? -6.256 7.561 2.088 1.00 98.34 3 A 1 ATOM 20 C C . VAL A 1 3 ? -6.029 6.480 1.034 1.00 98.50 3 A 1 ATOM 21 O O . VAL A 1 3 ? -5.524 5.402 1.336 1.00 98.16 3 A 1 ATOM 22 C CB . VAL A 1 3 ? -7.717 7.545 2.559 1.00 97.85 3 A 1 ATOM 23 C CG1 . VAL A 1 3 ? -8.083 6.181 3.122 1.00 94.40 3 A 1 ATOM 24 C CG2 . VAL A 1 3 ? -7.953 8.617 3.606 1.00 94.31 3 A 1 ATOM 25 N N . LEU A 1 4 ? -6.380 6.784 -0.197 1.00 98.05 4 A 1 ATOM 26 C CA . LEU A 1 4 ? -6.195 5.848 -1.305 1.00 98.05 4 A 1 ATOM 27 C C . LEU A 1 4 ? -4.724 5.482 -1.486 1.00 98.22 4 A 1 ATOM 28 O O . LEU A 1 4 ? -4.389 4.321 -1.711 1.00 98.03 4 A 1 ATOM 29 C CB . LEU A 1 4 ? -6.744 6.462 -2.600 1.00 97.76 4 A 1 ATOM 30 C CG . LEU A 1 4 ? -7.732 5.549 -3.320 1.00 90.55 4 A 1 ATOM 31 C CD1 . LEU A 1 4 ? -9.158 6.019 -3.077 1.00 87.05 4 A 1 ATOM 32 C CD2 . LEU A 1 4 ? -7.442 5.514 -4.809 1.00 88.17 4 A 1 ATOM 33 N N . VAL A 1 5 ? -3.861 6.475 -1.371 1.00 98.43 5 A 1 ATOM 34 C CA . VAL A 1 5 ? -2.419 6.270 -1.515 1.00 98.42 5 A 1 ATOM 35 C C . VAL A 1 5 ? -1.897 5.375 -0.394 1.00 98.50 5 A 1 ATOM 36 O O . VAL A 1 5 ? -1.087 4.479 -0.631 1.00 98.29 5 A 1 ATOM 37 C CB . VAL A 1 5 ? -1.675 7.617 -1.531 1.00 98.07 5 A 1 ATOM 38 C CG1 . VAL A 1 5 ? -0.169 7.416 -1.628 1.00 96.04 5 A 1 ATOM 39 C CG2 . VAL A 1 5 ? -2.143 8.471 -2.705 1.00 95.80 5 A 1 ATOM 40 N N . ILE A 1 6 ? -2.374 5.606 0.814 1.00 98.45 6 A 1 ATOM 41 C CA . ILE A 1 6 ? -1.968 4.812 1.971 1.00 98.38 6 A 1 ATOM 42 C C . ILE A 1 6 ? -2.409 3.360 1.798 1.00 98.42 6 A 1 ATOM 43 O O . ILE A 1 6 ? -1.635 2.436 2.050 1.00 98.28 6 A 1 ATOM 44 C CB . ILE A 1 6 ? -2.541 5.413 3.266 1.00 98.32 6 A 1 ATOM 45 C CG1 . ILE A 1 6 ? -1.943 6.808 3.511 1.00 97.11 6 A 1 ATOM 46 C CG2 . ILE A 1 6 ? -2.252 4.500 4.454 1.00 96.63 6 A 1 ATOM 47 C CD1 . ILE A 1 6 ? -2.653 7.594 4.594 1.00 92.85 6 A 1 ATOM 48 N N . ILE A 1 7 ? -3.633 3.164 1.364 1.00 98.58 7 A 1 ATOM 49 C CA . ILE A 1 7 ? -4.166 1.821 1.135 1.00 98.50 7 A 1 ATOM 50 C C . ILE A 1 7 ? -3.355 1.105 0.060 1.00 98.48 7 A 1 ATOM 51 O O . ILE A 1 7 ? -2.983 -0.060 0.224 1.00 98.30 7 A 1 ATOM 52 C CB . ILE A 1 7 ? -5.655 1.883 0.742 1.00 98.38 7 A 1 ATOM 53 C CG1 . ILE A 1 7 ? -6.490 2.406 1.916 1.00 96.74 7 A 1 ATOM 54 C CG2 . ILE A 1 7 ? -6.156 0.500 0.319 1.00 95.92 7 A 1 ATOM 55 C CD1 . ILE A 1 7 ? -7.908 2.789 1.533 1.00 92.31 7 A 1 ATOM 56 N N . ALA A 1 8 ? -3.079 1.800 -1.018 1.00 98.59 8 A 1 ATOM 57 C CA . ALA A 1 8 ? -2.292 1.236 -2.109 1.00 98.53 8 A 1 ATOM 58 C C . ALA A 1 8 ? -0.881 0.873 -1.643 1.00 98.59 8 A 1 ATOM 59 O O . ALA A 1 8 ? -0.363 -0.188 -1.989 1.00 98.31 8 A 1 ATOM 60 C CB . ALA A 1 8 ? -2.240 2.235 -3.264 1.00 98.32 8 A 1 ATOM 61 N N . LEU A 1 9 ? -0.293 1.737 -0.835 1.00 98.51 9 A 1 ATOM 62 C CA . LEU A 1 9 ? 1.039 1.503 -0.290 1.00 98.43 9 A 1 ATOM 63 C C . LEU A 1 9 ? 1.043 0.285 0.630 1.00 98.55 9 A 1 ATOM 64 O O . LEU A 1 9 ? 1.908 -0.584 0.514 1.00 98.37 9 A 1 ATOM 65 C CB . LEU A 1 9 ? 1.504 2.750 0.466 1.00 98.20 9 A 1 ATOM 66 C CG . LEU A 1 9 ? 2.949 2.665 0.961 1.00 94.82 9 A 1 ATOM 67 C CD1 . LEU A 1 9 ? 3.932 2.834 -0.190 1.00 91.46 9 A 1 ATOM 68 C CD2 . LEU A 1 9 ? 3.202 3.741 2.011 1.00 92.33 9 A 1 ATOM 69 N N . CYS A 1 10 ? 0.077 0.210 1.526 1.00 98.40 10 A 1 ATOM 70 C CA . CYS A 1 10 ? -0.041 -0.912 2.448 1.00 98.43 10 A 1 ATOM 71 C C . CYS A 1 10 ? -0.243 -2.226 1.700 1.00 98.51 10 A 1 ATOM 72 O O . CYS A 1 10 ? 0.361 -3.237 2.039 1.00 98.16 10 A 1 ATOM 73 C CB . CYS A 1 10 ? -1.203 -0.671 3.410 1.00 98.16 10 A 1 ATOM 74 S SG . CYS A 1 10 ? -0.800 0.564 4.653 1.00 93.88 10 A 1 ATOM 75 N N . PHE A 1 11 ? -1.082 -2.194 0.687 1.00 98.41 11 A 1 ATOM 76 C CA . PHE A 1 11 ? -1.339 -3.371 -0.133 1.00 98.34 11 A 1 ATOM 77 C C . PHE A 1 11 ? -0.075 -3.812 -0.862 1.00 98.44 11 A 1 ATOM 78 O O . PHE A 1 11 ? 0.233 -5.003 -0.912 1.00 98.20 11 A 1 ATOM 79 C CB . PHE A 1 11 ? -2.455 -3.072 -1.132 1.00 98.10 11 A 1 ATOM 80 C CG . PHE A 1 11 ? -2.888 -4.295 -1.898 1.00 95.50 11 A 1 ATOM 81 C CD1 . PHE A 1 11 ? -2.389 -4.546 -3.173 1.00 91.97 11 A 1 ATOM 82 C CD2 . PHE A 1 11 ? -3.773 -5.195 -1.320 1.00 92.71 11 A 1 ATOM 83 C CE1 . PHE A 1 11 ? -2.775 -5.683 -3.872 1.00 91.04 11 A 1 ATOM 84 C CE2 . PHE A 1 11 ? -4.161 -6.338 -2.017 1.00 90.83 11 A 1 ATOM 85 C CZ . PHE A 1 11 ? -3.662 -6.580 -3.289 1.00 90.98 11 A 1 ATOM 86 N N . PHE A 1 12 ? 0.654 -2.854 -1.403 1.00 98.50 12 A 1 ATOM 87 C CA . PHE A 1 12 ? 1.895 -3.143 -2.112 1.00 98.51 12 A 1 ATOM 88 C C . PHE A 1 12 ? 2.934 -3.758 -1.181 1.00 98.63 12 A 1 ATOM 89 O O . PHE A 1 12 ? 3.581 -4.747 -1.529 1.00 98.39 12 A 1 ATOM 90 C CB . PHE A 1 12 ? 2.433 -1.862 -2.742 1.00 98.32 12 A 1 ATOM 91 C CG . PHE A 1 12 ? 3.540 -2.126 -3.732 1.00 96.49 12 A 1 ATOM 92 C CD1 . PHE A 1 12 ? 4.875 -2.006 -3.351 1.00 93.51 12 A 1 ATOM 93 C CD2 . PHE A 1 12 ? 3.228 -2.507 -5.032 1.00 94.32 12 A 1 ATOM 94 C CE1 . PHE A 1 12 ? 5.896 -2.263 -4.263 1.00 92.46 12 A 1 ATOM 95 C CE2 . PHE A 1 12 ? 4.249 -2.765 -5.946 1.00 92.82 12 A 1 ATOM 96 C CZ . PHE A 1 12 ? 5.578 -2.644 -5.561 1.00 92.38 12 A 1 ATOM 97 N N . ILE A 1 13 ? 3.069 -3.188 0.004 1.00 98.65 13 A 1 ATOM 98 C CA . ILE A 1 13 ? 4.006 -3.701 1.004 1.00 98.61 13 A 1 ATOM 99 C C . ILE A 1 13 ? 3.605 -5.109 1.432 1.00 98.64 13 A 1 ATOM 100 O O . ILE A 1 13 ? 4.448 -6.001 1.527 1.00 98.45 13 A 1 ATOM 101 C CB . ILE A 1 13 ? 4.076 -2.765 2.224 1.00 98.50 13 A 1 ATOM 102 C CG1 . ILE A 1 13 ? 4.671 -1.408 1.827 1.00 97.42 13 A 1 ATOM 103 C CG2 . ILE A 1 13 ? 4.911 -3.394 3.342 1.00 96.78 13 A 1 ATOM 104 C CD1 . ILE A 1 13 ? 4.474 -0.325 2.871 1.00 93.20 13 A 1 ATOM 105 N N . LEU A 1 14 ? 2.325 -5.304 1.672 1.00 98.60 14 A 1 ATOM 106 C CA . LEU A 1 14 ? 1.804 -6.607 2.073 1.00 98.52 14 A 1 ATOM 107 C C . LEU A 1 14 ? 2.063 -7.651 0.995 1.00 98.55 14 A 1 ATOM 108 O O . LEU A 1 14 ? 2.510 -8.761 1.292 1.00 98.28 14 A 1 ATOM 109 C CB . LEU A 1 14 ? 0.306 -6.489 2.356 1.00 98.29 14 A 1 ATOM 110 C CG . LEU A 1 14 ? -0.343 -7.790 2.827 1.00 93.89 14 A 1 ATOM 111 C CD1 . LEU A 1 14 ? 0.122 -8.150 4.233 1.00 89.75 14 A 1 ATOM 112 C CD2 . LEU A 1 14 ? -1.861 -7.654 2.809 1.00 90.90 14 A 1 ATOM 113 N N . GLN A 1 15 ? 1.782 -7.300 -0.242 1.00 98.66 15 A 1 ATOM 114 C CA . GLN A 1 15 ? 1.986 -8.193 -1.376 1.00 98.61 15 A 1 ATOM 115 C C . GLN A 1 15 ? 3.462 -8.540 -1.532 1.00 98.62 15 A 1 ATOM 116 O O . GLN A 1 15 ? 3.817 -9.703 -1.722 1.00 98.09 15 A 1 ATOM 117 C CB . GLN A 1 15 ? 1.427 -7.525 -2.635 1.00 98.28 15 A 1 ATOM 118 C CG . GLN A 1 15 ? 1.122 -8.519 -3.746 1.00 94.37 15 A 1 ATOM 119 C CD . GLN A 1 15 ? 2.350 -8.880 -4.559 1.00 91.17 15 A 1 ATOM 120 O OE1 . GLN A 1 15 ? 2.878 -9.977 -4.467 1.00 85.69 15 A 1 ATOM 121 N NE2 . GLN A 1 15 ? 2.822 -7.965 -5.378 1.00 82.58 15 A 1 ATOM 122 N N . THR A 1 16 ? 4.315 -7.547 -1.402 1.00 98.69 16 A 1 ATOM 123 C CA . THR A 1 16 ? 5.759 -7.748 -1.513 1.00 98.60 16 A 1 ATOM 124 C C . THR A 1 16 ? 6.281 -8.620 -0.379 1.00 98.62 16 A 1 ATOM 125 O O . THR A 1 16 ? 7.116 -9.493 -0.597 1.00 98.23 16 A 1 ATOM 126 C CB . THR A 1 16 ? 6.494 -6.403 -1.504 1.00 98.23 16 A 1 ATOM 127 O OG1 . THR A 1 16 ? 5.993 -5.573 -2.542 1.00 93.15 16 A 1 ATOM 128 C CG2 . THR A 1 16 ? 7.985 -6.589 -1.725 1.00 92.22 16 A 1 ATOM 129 N N . ALA A 1 17 ? 5.792 -8.396 0.826 1.00 98.65 17 A 1 ATOM 130 C CA . ALA A 1 17 ? 6.209 -9.171 1.990 1.00 98.58 17 A 1 ATOM 131 C C . ALA A 1 17 ? 5.722 -10.617 1.903 1.00 98.58 17 A 1 ATOM 132 O O . ALA A 1 17 ? 6.410 -11.535 2.348 1.00 98.14 17 A 1 ATOM 133 C CB . ALA A 1 17 ? 5.688 -8.509 3.263 1.00 98.36 17 A 1 ATOM 134 N N . LEU A 1 18 ? 4.541 -10.802 1.348 1.00 98.39 18 A 1 ATOM 135 C CA . LEU A 1 18 ? 3.960 -12.128 1.195 1.00 98.10 18 A 1 ATOM 136 C C . LEU A 1 18 ? 4.666 -12.922 0.103 1.00 97.70 18 A 1 ATOM 137 O O . LEU A 1 18 ? 4.859 -14.133 0.238 1.00 96.86 18 A 1 ATOM 138 C CB . LEU A 1 18 ? 2.469 -11.995 0.876 1.00 97.77 18 A 1 ATOM 139 C CG . LEU A 1 18 ? 1.709 -13.317 0.893 1.00 95.06 18 A 1 ATOM 140 C CD1 . LEU A 1 18 ? 1.556 -13.837 2.315 1.00 90.30 18 A 1 ATOM 141 C CD2 . LEU A 1 18 ? 0.333 -13.137 0.261 1.00 90.02 18 A 1 ATOM 142 N N . SER A 1 19 ? 5.044 -12.240 -0.947 1.00 96.46 19 A 1 ATOM 143 C CA . SER A 1 19 ? 5.706 -12.863 -2.092 1.00 94.58 19 A 1 ATOM 144 C C . SER A 1 19 ? 7.167 -13.176 -1.782 1.00 90.24 19 A 1 ATOM 145 O O . SER A 1 19 ? 7.539 -14.366 -1.770 1.00 83.43 19 A 1 ATOM 146 C CB . SER A 1 19 ? 5.607 -11.959 -3.319 1.00 91.08 19 A 1 ATOM 147 O OG . SER A 1 19 ? 6.076 -12.648 -4.460 1.00 81.60 19 A 1 ATOM 148 O OXT . SER A 1 19 ? 7.922 -12.239 -1.586 1.00 82.34 19 A 1 #