# 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_spkb22679 # _entry.id spkb22679 # 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 H15 N4 O2" 175.209 ARG y ARGININE C(C[C@@H](C(=O)O)N)CNC(=[NH2+])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" "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 VAL 2 1 n SER 3 1 n TYR 4 1 n LYS 5 1 n ALA 6 1 n PHE 7 1 n LEU 8 1 n ILE 9 1 n THR 10 1 n LEU 11 1 n ALA 12 1 n ALA 13 1 n VAL 14 1 n THR 15 1 n ARG 16 1 n VAL 17 1 n LEU 18 1 n THR 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 21:42:50)" _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 93.70 _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 81.81 1 1 A VAL 2 2 87.72 1 2 A SER 3 2 94.24 1 3 A TYR 4 2 93.79 1 4 A LYS 5 2 91.37 1 5 A ALA 6 2 97.43 1 6 A PHE 7 2 95.13 1 7 A LEU 8 2 95.62 1 8 A ILE 9 2 95.61 1 9 A THR 10 2 96.14 1 10 A LEU 11 2 95.84 1 11 A ALA 12 2 98.14 1 12 A ALA 13 2 98.15 1 13 A VAL 14 2 97.41 1 14 A THR 15 2 96.39 1 15 A ARG 16 2 89.71 1 16 A VAL 17 2 96.60 1 17 A LEU 18 2 95.08 1 18 A THR 19 2 90.97 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 VAL . 2 A 2 A 3 1 n SER . 3 A 3 A 4 1 n TYR . 4 A 4 A 5 1 n LYS . 5 A 5 A 6 1 n ALA . 6 A 6 A 7 1 n PHE . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n ILE . 9 A 9 A 10 1 n THR . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n VAL . 14 A 14 A 15 1 n THR . 15 A 15 A 16 1 n ARG . 16 A 16 A 17 1 n VAL . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n THR . 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 ? -13.058 -5.099 -4.768 1.00 86.31 1 A 1 ATOM 2 C CA . MET A 1 1 ? -12.770 -6.539 -4.709 1.00 89.27 1 A 1 ATOM 3 C C . MET A 1 1 ? -12.105 -6.902 -3.387 1.00 90.49 1 A 1 ATOM 4 O O . MET A 1 1 ? -12.680 -7.609 -2.566 1.00 86.32 1 A 1 ATOM 5 C CB . MET A 1 1 ? -11.854 -6.963 -5.865 1.00 83.63 1 A 1 ATOM 6 C CG . MET A 1 1 ? -12.507 -6.778 -7.224 1.00 77.41 1 A 1 ATOM 7 S SD . MET A 1 1 ? -11.429 -7.288 -8.571 1.00 74.52 1 A 1 ATOM 8 C CE . MET A 1 1 ? -12.480 -6.937 -9.968 1.00 66.57 1 A 1 ATOM 9 N N . VAL A 1 2 ? -10.875 -6.414 -3.203 1.00 86.67 2 A 1 ATOM 10 C CA . VAL A 1 2 ? -10.133 -6.684 -1.972 1.00 90.29 2 A 1 ATOM 11 C C . VAL A 1 2 ? -10.444 -5.620 -0.929 1.00 93.01 2 A 1 ATOM 12 O O . VAL A 1 2 ? -10.831 -4.503 -1.271 1.00 91.27 2 A 1 ATOM 13 C CB . VAL A 1 2 ? -8.623 -6.721 -2.247 1.00 87.38 2 A 1 ATOM 14 C CG1 . VAL A 1 2 ? -7.857 -7.134 -1.002 1.00 81.33 2 A 1 ATOM 15 C CG2 . VAL A 1 2 ? -8.320 -7.670 -3.389 1.00 84.11 2 A 1 ATOM 16 N N . SER A 1 3 ? -10.265 -5.977 0.337 1.00 94.75 3 A 1 ATOM 17 C CA . SER A 1 3 ? -10.522 -5.045 1.428 1.00 96.45 3 A 1 ATOM 18 C C . SER A 1 3 ? -9.572 -3.848 1.364 1.00 97.17 3 A 1 ATOM 19 O O . SER A 1 3 ? -8.490 -3.930 0.785 1.00 96.60 3 A 1 ATOM 20 C CB . SER A 1 3 ? -10.375 -5.752 2.767 1.00 94.60 3 A 1 ATOM 21 O OG . SER A 1 3 ? -10.716 -4.877 3.828 1.00 85.85 3 A 1 ATOM 22 N N . TYR A 1 4 ? -9.983 -2.732 1.968 1.00 97.06 4 A 1 ATOM 23 C CA . TYR A 1 4 ? -9.184 -1.512 1.952 1.00 97.31 4 A 1 ATOM 24 C C . TYR A 1 4 ? -7.863 -1.703 2.695 1.00 97.76 4 A 1 ATOM 25 O O . TYR A 1 4 ? -6.852 -1.089 2.348 1.00 97.26 4 A 1 ATOM 26 C CB . TYR A 1 4 ? -9.975 -0.365 2.592 1.00 96.65 4 A 1 ATOM 27 C CG . TYR A 1 4 ? -9.492 0.998 2.145 1.00 94.18 4 A 1 ATOM 28 C CD1 . TYR A 1 4 ? -9.782 1.473 0.875 1.00 92.96 4 A 1 ATOM 29 C CD2 . TYR A 1 4 ? -8.748 1.798 2.991 1.00 92.06 4 A 1 ATOM 30 C CE1 . TYR A 1 4 ? -9.339 2.715 0.457 1.00 90.35 4 A 1 ATOM 31 C CE2 . TYR A 1 4 ? -8.297 3.048 2.584 1.00 90.31 4 A 1 ATOM 32 C CZ . TYR A 1 4 ? -8.601 3.499 1.316 1.00 90.63 4 A 1 ATOM 33 O OH . TYR A 1 4 ? -8.158 4.734 0.909 1.00 88.92 4 A 1 ATOM 34 N N . LYS A 1 5 ? -7.874 -2.555 3.705 1.00 97.57 5 A 1 ATOM 35 C CA . LYS A 1 5 ? -6.669 -2.806 4.494 1.00 97.76 5 A 1 ATOM 36 C C . LYS A 1 5 ? -5.559 -3.383 3.622 1.00 97.93 5 A 1 ATOM 37 O O . LYS A 1 5 ? -4.395 -3.006 3.763 1.00 97.51 5 A 1 ATOM 38 C CB . LYS A 1 5 ? -6.981 -3.745 5.664 1.00 97.31 5 A 1 ATOM 39 C CG . LYS A 1 5 ? -7.224 -5.187 5.249 1.00 91.30 5 A 1 ATOM 40 C CD . LYS A 1 5 ? -7.409 -6.084 6.463 1.00 87.63 5 A 1 ATOM 41 C CE . LYS A 1 5 ? -7.256 -7.547 6.106 1.00 81.21 5 A 1 ATOM 42 N NZ . LYS A 1 5 ? -7.274 -8.407 7.326 1.00 74.08 5 A 1 ATOM 43 N N . ALA A 1 6 ? -5.910 -4.286 2.716 1.00 97.49 6 A 1 ATOM 44 C CA . ALA A 1 6 ? -4.935 -4.893 1.819 1.00 97.55 6 A 1 ATOM 45 C C . ALA A 1 6 ? -4.378 -3.853 0.853 1.00 97.85 6 A 1 ATOM 46 O O . ALA A 1 6 ? -3.196 -3.875 0.512 1.00 97.30 6 A 1 ATOM 47 C CB . ALA A 1 6 ? -5.577 -6.037 1.047 1.00 96.94 6 A 1 ATOM 48 N N . PHE A 1 7 ? -5.236 -2.934 0.424 1.00 97.00 7 A 1 ATOM 49 C CA . PHE A 1 7 ? -4.834 -1.861 -0.479 1.00 97.01 7 A 1 ATOM 50 C C . PHE A 1 7 ? -3.786 -0.961 0.168 1.00 97.44 7 A 1 ATOM 51 O O . PHE A 1 7 ? -2.791 -0.600 -0.462 1.00 96.85 7 A 1 ATOM 52 C CB . PHE A 1 7 ? -6.060 -1.038 -0.876 1.00 96.73 7 A 1 ATOM 53 C CG . PHE A 1 7 ? -5.728 0.079 -1.829 1.00 95.77 7 A 1 ATOM 54 C CD1 . PHE A 1 7 ? -5.370 -0.195 -3.137 1.00 93.89 7 A 1 ATOM 55 C CD2 . PHE A 1 7 ? -5.777 1.397 -1.410 1.00 93.80 7 A 1 ATOM 56 C CE1 . PHE A 1 7 ? -5.064 0.834 -4.019 1.00 92.66 7 A 1 ATOM 57 C CE2 . PHE A 1 7 ? -5.471 2.433 -2.288 1.00 92.51 7 A 1 ATOM 58 C CZ . PHE A 1 7 ? -5.117 2.146 -3.590 1.00 92.80 7 A 1 ATOM 59 N N . LEU A 1 8 ? -4.009 -0.601 1.419 1.00 97.53 8 A 1 ATOM 60 C CA . LEU A 1 8 ? -3.071 0.260 2.135 1.00 97.59 8 A 1 ATOM 61 C C . LEU A 1 8 ? -1.742 -0.444 2.380 1.00 97.83 8 A 1 ATOM 62 O O . LEU A 1 8 ? -0.674 0.159 2.260 1.00 97.65 8 A 1 ATOM 63 C CB . LEU A 1 8 ? -3.679 0.693 3.468 1.00 97.32 8 A 1 ATOM 64 C CG . LEU A 1 8 ? -4.858 1.649 3.336 1.00 94.11 8 A 1 ATOM 65 C CD1 . LEU A 1 8 ? -5.499 1.889 4.694 1.00 91.69 8 A 1 ATOM 66 C CD2 . LEU A 1 8 ? -4.408 2.973 2.729 1.00 91.22 8 A 1 ATOM 67 N N . ILE A 1 9 ? -1.818 -1.708 2.724 1.00 97.49 9 A 1 ATOM 68 C CA . ILE A 1 9 ? -0.614 -2.490 2.992 1.00 97.20 9 A 1 ATOM 69 C C . ILE A 1 9 ? 0.240 -2.617 1.737 1.00 97.42 9 A 1 ATOM 70 O O . ILE A 1 9 ? 1.461 -2.435 1.779 1.00 96.99 9 A 1 ATOM 71 C CB . ILE A 1 9 ? -0.973 -3.887 3.526 1.00 96.94 9 A 1 ATOM 72 C CG1 . ILE A 1 9 ? -1.632 -3.776 4.904 1.00 94.63 9 A 1 ATOM 73 C CG2 . ILE A 1 9 ? 0.282 -4.757 3.623 1.00 94.31 9 A 1 ATOM 74 C CD1 . ILE A 1 9 ? -2.283 -5.064 5.370 1.00 89.91 9 A 1 ATOM 75 N N . THR A 1 10 ? -0.398 -2.928 0.629 1.00 97.87 10 A 1 ATOM 76 C CA . THR A 1 10 ? 0.334 -3.097 -0.620 1.00 97.76 10 A 1 ATOM 77 C C . THR A 1 10 ? 0.948 -1.774 -1.076 1.00 98.00 10 A 1 ATOM 78 O O . THR A 1 10 ? 2.065 -1.751 -1.596 1.00 97.48 10 A 1 ATOM 79 C CB . THR A 1 10 ? -0.560 -3.686 -1.723 1.00 97.24 10 A 1 ATOM 80 O OG1 . THR A 1 10 ? 0.259 -4.096 -2.827 1.00 92.93 10 A 1 ATOM 81 C CG2 . THR A 1 10 ? -1.573 -2.688 -2.220 1.00 91.72 10 A 1 ATOM 82 N N . LEU A 1 11 ? 0.244 -0.670 -0.857 1.00 97.84 11 A 1 ATOM 83 C CA . LEU A 1 11 ? 0.758 0.646 -1.219 1.00 97.62 11 A 1 ATOM 84 C C . LEU A 1 11 ? 2.003 0.988 -0.414 1.00 98.06 11 A 1 ATOM 85 O O . LEU A 1 11 ? 2.965 1.547 -0.947 1.00 97.92 11 A 1 ATOM 86 C CB . LEU A 1 11 ? -0.305 1.714 -0.979 1.00 97.01 11 A 1 ATOM 87 C CG . LEU A 1 11 ? -1.316 1.879 -2.107 1.00 93.53 11 A 1 ATOM 88 C CD1 . LEU A 1 11 ? -2.331 2.945 -1.736 1.00 92.23 11 A 1 ATOM 89 C CD2 . LEU A 1 11 ? -0.620 2.250 -3.409 1.00 92.48 11 A 1 ATOM 90 N N . ALA A 1 12 ? 1.978 0.672 0.866 1.00 98.17 12 A 1 ATOM 91 C CA . ALA A 1 12 ? 3.118 0.940 1.735 1.00 98.20 12 A 1 ATOM 92 C C . ALA A 1 12 ? 4.353 0.188 1.251 1.00 98.38 12 A 1 ATOM 93 O O . ALA A 1 12 ? 5.463 0.720 1.275 1.00 98.02 12 A 1 ATOM 94 C CB . ALA A 1 12 ? 2.791 0.534 3.167 1.00 97.91 12 A 1 ATOM 95 N N . ALA A 1 13 ? 4.160 -1.044 0.824 1.00 98.37 13 A 1 ATOM 96 C CA . ALA A 1 13 ? 5.270 -1.852 0.334 1.00 98.29 13 A 1 ATOM 97 C C . ALA A 1 13 ? 5.806 -1.301 -0.982 1.00 98.47 13 A 1 ATOM 98 O O . ALA A 1 13 ? 7.020 -1.229 -1.188 1.00 97.84 13 A 1 ATOM 99 C CB . ALA A 1 13 ? 4.824 -3.299 0.161 1.00 97.77 13 A 1 ATOM 100 N N . VAL A 1 14 ? 4.919 -0.894 -1.864 1.00 98.53 14 A 1 ATOM 101 C CA . VAL A 1 14 ? 5.313 -0.360 -3.165 1.00 98.44 14 A 1 ATOM 102 C C . VAL A 1 14 ? 6.090 0.940 -3.018 1.00 98.53 14 A 1 ATOM 103 O O . VAL A 1 14 ? 7.128 1.128 -3.655 1.00 98.02 14 A 1 ATOM 104 C CB . VAL A 1 14 ? 4.084 -0.133 -4.055 1.00 97.87 14 A 1 ATOM 105 C CG1 . VAL A 1 14 ? 4.478 0.579 -5.342 1.00 94.91 14 A 1 ATOM 106 C CG2 . VAL A 1 14 ? 3.418 -1.457 -4.376 1.00 95.57 14 A 1 ATOM 107 N N . THR A 1 15 ? 5.603 1.836 -2.186 1.00 98.54 15 A 1 ATOM 108 C CA . THR A 1 15 ? 6.261 3.124 -1.985 1.00 98.44 15 A 1 ATOM 109 C C . THR A 1 15 ? 7.653 2.941 -1.388 1.00 98.46 15 A 1 ATOM 110 O O . THR A 1 15 ? 8.575 3.694 -1.694 1.00 97.84 15 A 1 ATOM 111 C CB . THR A 1 15 ? 5.420 4.048 -1.090 1.00 97.95 15 A 1 ATOM 112 O OG1 . THR A 1 15 ? 5.983 5.362 -1.103 1.00 92.44 15 A 1 ATOM 113 C CG2 . THR A 1 15 ? 5.373 3.555 0.338 1.00 91.07 15 A 1 ATOM 114 N N . ARG A 1 16 ? 7.810 1.938 -0.554 1.00 98.64 16 A 1 ATOM 115 C CA . ARG A 1 16 ? 9.109 1.648 0.047 1.00 98.41 16 A 1 ATOM 116 C C . ARG A 1 16 ? 10.092 1.161 -1.007 1.00 98.39 16 A 1 ATOM 117 O O . ARG A 1 16 ? 11.277 1.484 -0.958 1.00 97.04 16 A 1 ATOM 118 C CB . ARG A 1 16 ? 8.969 0.589 1.145 1.00 97.80 16 A 1 ATOM 119 C CG . ARG A 1 16 ? 8.410 1.170 2.433 1.00 92.31 16 A 1 ATOM 120 C CD . ARG A 1 16 ? 8.249 0.097 3.482 1.00 88.65 16 A 1 ATOM 121 N NE . ARG A 1 16 ? 7.787 0.663 4.753 1.00 84.90 16 A 1 ATOM 122 C CZ . ARG A 1 16 ? 7.488 -0.064 5.824 1.00 80.89 16 A 1 ATOM 123 N NH1 . ARG A 1 16 ? 7.596 -1.378 5.797 1.00 75.12 16 A 1 ATOM 124 N NH2 . ARG A 1 16 ? 7.078 0.536 6.931 1.00 74.64 16 A 1 ATOM 125 N N . VAL A 1 17 ? 9.615 0.382 -1.950 1.00 98.35 17 A 1 ATOM 126 C CA . VAL A 1 17 ? 10.464 -0.122 -3.025 1.00 98.15 17 A 1 ATOM 127 C C . VAL A 1 17 ? 10.929 1.020 -3.926 1.00 98.25 17 A 1 ATOM 128 O O . VAL A 1 17 ? 12.077 1.038 -4.381 1.00 97.34 17 A 1 ATOM 129 C CB . VAL A 1 17 ? 9.728 -1.180 -3.862 1.00 97.35 17 A 1 ATOM 130 C CG1 . VAL A 1 17 ? 10.563 -1.594 -5.068 1.00 93.17 17 A 1 ATOM 131 C CG2 . VAL A 1 17 ? 9.406 -2.396 -3.013 1.00 93.60 17 A 1 ATOM 132 N N . LEU A 1 18 ? 10.041 1.966 -4.174 1.00 97.95 18 A 1 ATOM 133 C CA . LEU A 1 18 ? 10.365 3.114 -5.019 1.00 97.76 18 A 1 ATOM 134 C C . LEU A 1 18 ? 11.429 3.994 -4.380 1.00 97.75 18 A 1 ATOM 135 O O . LEU A 1 18 ? 12.359 4.450 -5.048 1.00 96.74 18 A 1 ATOM 136 C CB . LEU A 1 18 ? 9.103 3.936 -5.282 1.00 97.16 18 A 1 ATOM 137 C CG . LEU A 1 18 ? 8.072 3.243 -6.178 1.00 94.13 18 A 1 ATOM 138 C CD1 . LEU A 1 18 ? 6.778 4.046 -6.220 1.00 90.50 18 A 1 ATOM 139 C CD2 . LEU A 1 18 ? 8.624 3.071 -7.584 1.00 88.68 18 A 1 ATOM 140 N N . THR A 1 19 ? 11.292 4.227 -3.090 1.00 96.41 19 A 1 ATOM 141 C CA . THR A 1 19 ? 12.238 5.071 -2.358 1.00 95.27 19 A 1 ATOM 142 C C . THR A 1 19 ? 13.194 4.229 -1.531 1.00 93.88 19 A 1 ATOM 143 O O . THR A 1 19 ? 12.847 3.847 -0.398 1.00 89.79 19 A 1 ATOM 144 C CB . THR A 1 19 ? 11.507 6.039 -1.420 1.00 92.43 19 A 1 ATOM 145 O OG1 . THR A 1 19 ? 10.696 5.315 -0.514 1.00 86.10 19 A 1 ATOM 146 C CG2 . THR A 1 19 ? 10.665 7.003 -2.231 1.00 87.74 19 A 1 ATOM 147 O OXT . THR A 1 19 ? 14.293 3.935 -2.019 1.00 86.13 19 A 1 #