# 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_spkb38542 # _entry.id spkb38542 # 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" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=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" "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 ILE 3 1 n THR 4 1 n ILE 5 1 n TYR 6 1 n PHE 7 1 n PHE 8 1 n LEU 9 1 n LEU 10 1 n LEU 11 1 n LEU 12 1 n SER 13 1 n PHE 14 1 n THR 15 1 n ILE 16 1 n ASN 17 1 n SER 18 1 n VAL 19 1 n SER 20 1 n ALA 21 # _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 @ 2025-07-05 15:17:36)" _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 93.12 _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 87.17 1 1 A LYS 2 2 87.83 1 2 A ILE 3 2 92.87 1 3 A THR 4 2 94.14 1 4 A ILE 5 2 94.92 1 5 A TYR 6 2 93.44 1 6 A PHE 7 2 95.05 1 7 A PHE 8 2 94.47 1 8 A LEU 9 2 94.73 1 9 A LEU 10 2 95.55 1 10 A LEU 11 2 94.34 1 11 A LEU 12 2 94.35 1 12 A SER 13 2 96.60 1 13 A PHE 14 2 93.54 1 14 A THR 15 2 95.87 1 15 A ILE 16 2 96.12 1 16 A ASN 17 2 91.38 1 17 A SER 18 2 93.63 1 18 A VAL 19 2 92.71 1 19 A SER 20 2 89.64 1 20 A ALA 21 2 84.80 1 21 # _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 ILE . 3 A 3 A 4 1 n THR . 4 A 4 A 5 1 n ILE . 5 A 5 A 6 1 n TYR . 6 A 6 A 7 1 n PHE . 7 A 7 A 8 1 n PHE . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n SER . 13 A 13 A 14 1 n PHE . 14 A 14 A 15 1 n THR . 15 A 15 A 16 1 n ILE . 16 A 16 A 17 1 n ASN . 17 A 17 A 18 1 n SER . 18 A 18 A 19 1 n VAL . 19 A 19 A 20 1 n SER . 20 A 20 A 21 1 n ALA . 21 A 21 # _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 ? -12.755 0.188 9.562 1.00 93.48 1 A 1 ATOM 2 C CA . MET A 1 1 ? -12.428 -0.213 8.173 1.00 94.89 1 A 1 ATOM 3 C C . MET A 1 1 ? -10.964 -0.635 8.071 1.00 95.55 1 A 1 ATOM 4 O O . MET A 1 1 ? -10.072 0.216 8.085 1.00 93.37 1 A 1 ATOM 5 C CB . MET A 1 1 ? -12.695 0.943 7.204 1.00 89.87 1 A 1 ATOM 6 C CG . MET A 1 1 ? -14.164 1.290 7.112 1.00 81.16 1 A 1 ATOM 7 S SD . MET A 1 1 ? -14.508 2.621 5.949 1.00 78.58 1 A 1 ATOM 8 C CE . MET A 1 1 ? -13.862 4.032 6.846 1.00 70.49 1 A 1 ATOM 9 N N . LYS A 1 2 ? -10.737 -1.932 7.988 1.00 94.85 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -9.376 -2.472 7.936 1.00 95.29 2 A 1 ATOM 11 C C . LYS A 1 2 ? -8.781 -2.366 6.528 1.00 95.32 2 A 1 ATOM 12 O O . LYS A 1 2 ? -7.587 -2.118 6.375 1.00 94.48 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -9.383 -3.938 8.381 1.00 93.83 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -9.934 -4.163 9.783 1.00 86.44 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -9.022 -3.594 10.846 1.00 83.12 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -9.557 -3.864 12.239 1.00 77.14 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -9.648 -5.324 12.518 1.00 69.97 2 A 1 ATOM 18 N N . ILE A 1 3 ? -9.620 -2.556 5.517 1.00 95.73 3 A 1 ATOM 19 C CA . ILE A 1 3 ? -9.160 -2.523 4.130 1.00 96.36 3 A 1 ATOM 20 C C . ILE A 1 3 ? -8.622 -1.146 3.745 1.00 97.08 3 A 1 ATOM 21 O O . ILE A 1 3 ? -7.657 -1.035 2.981 1.00 96.46 3 A 1 ATOM 22 C CB . ILE A 1 3 ? -10.283 -2.964 3.168 1.00 95.23 3 A 1 ATOM 23 C CG1 . ILE A 1 3 ? -9.703 -3.253 1.781 1.00 90.28 3 A 1 ATOM 24 C CG2 . ILE A 1 3 ? -11.389 -1.917 3.094 1.00 88.68 3 A 1 ATOM 25 C CD1 . ILE A 1 3 ? -10.647 -3.992 0.868 1.00 83.11 3 A 1 ATOM 26 N N . THR A 1 4 ? -9.227 -0.097 4.291 1.00 96.19 4 A 1 ATOM 27 C CA . THR A 1 4 ? -8.783 1.269 4.015 1.00 96.74 4 A 1 ATOM 28 C C . THR A 1 4 ? -7.392 1.509 4.588 1.00 97.06 4 A 1 ATOM 29 O O . THR A 1 4 ? -6.542 2.135 3.952 1.00 96.50 4 A 1 ATOM 30 C CB . THR A 1 4 ? -9.761 2.295 4.602 1.00 96.23 4 A 1 ATOM 31 O OG1 . THR A 1 4 ? -11.091 1.996 4.182 1.00 89.22 4 A 1 ATOM 32 C CG2 . THR A 1 4 ? -9.406 3.703 4.155 1.00 87.03 4 A 1 ATOM 33 N N . ILE A 1 5 ? -7.162 0.999 5.779 1.00 97.13 5 A 1 ATOM 34 C CA . ILE A 1 5 ? -5.861 1.121 6.431 1.00 97.07 5 A 1 ATOM 35 C C . ILE A 1 5 ? -4.807 0.352 5.641 1.00 97.35 5 A 1 ATOM 36 O O . ILE A 1 5 ? -3.683 0.826 5.456 1.00 97.35 5 A 1 ATOM 37 C CB . ILE A 1 5 ? -5.923 0.606 7.881 1.00 97.10 5 A 1 ATOM 38 C CG1 . ILE A 1 5 ? -6.934 1.421 8.694 1.00 93.64 5 A 1 ATOM 39 C CG2 . ILE A 1 5 ? -4.538 0.679 8.524 1.00 92.41 5 A 1 ATOM 40 C CD1 . ILE A 1 5 ? -7.208 0.849 10.066 1.00 87.34 5 A 1 ATOM 41 N N . TYR A 1 6 ? -5.182 -0.830 5.174 1.00 97.14 6 A 1 ATOM 42 C CA . TYR A 1 6 ? -4.275 -1.659 4.382 1.00 97.05 6 A 1 ATOM 43 C C . TYR A 1 6 ? -3.888 -0.943 3.088 1.00 97.34 6 A 1 ATOM 44 O O . TYR A 1 6 ? -2.722 -0.958 2.680 1.00 97.42 6 A 1 ATOM 45 C CB . TYR A 1 6 ? -4.947 -3.000 4.076 1.00 96.86 6 A 1 ATOM 46 C CG . TYR A 1 6 ? -3.955 -4.074 3.684 1.00 93.72 6 A 1 ATOM 47 C CD1 . TYR A 1 6 ? -3.485 -4.169 2.381 1.00 90.19 6 A 1 ATOM 48 C CD2 . TYR A 1 6 ? -3.498 -4.983 4.632 1.00 91.47 6 A 1 ATOM 49 C CE1 . TYR A 1 6 ? -2.566 -5.147 2.029 1.00 89.50 6 A 1 ATOM 50 C CE2 . TYR A 1 6 ? -2.581 -5.967 4.282 1.00 90.73 6 A 1 ATOM 51 C CZ . TYR A 1 6 ? -2.120 -6.043 2.980 1.00 90.70 6 A 1 ATOM 52 O OH . TYR A 1 6 ? -1.215 -7.013 2.632 1.00 89.18 6 A 1 ATOM 53 N N . PHE A 1 7 ? -4.872 -0.302 2.457 1.00 97.19 7 A 1 ATOM 54 C CA . PHE A 1 7 ? -4.638 0.462 1.233 1.00 97.42 7 A 1 ATOM 55 C C . PHE A 1 7 ? -3.687 1.630 1.499 1.00 97.88 7 A 1 ATOM 56 O O . PHE A 1 7 ? -2.781 1.900 0.711 1.00 97.96 7 A 1 ATOM 57 C CB . PHE A 1 7 ? -5.967 0.979 0.677 1.00 97.30 7 A 1 ATOM 58 C CG . PHE A 1 7 ? -5.830 1.636 -0.674 1.00 95.53 7 A 1 ATOM 59 C CD1 . PHE A 1 7 ? -5.572 2.996 -0.782 1.00 92.29 7 A 1 ATOM 60 C CD2 . PHE A 1 7 ? -5.953 0.878 -1.830 1.00 93.57 7 A 1 ATOM 61 C CE1 . PHE A 1 7 ? -5.431 3.601 -2.027 1.00 91.77 7 A 1 ATOM 62 C CE2 . PHE A 1 7 ? -5.815 1.480 -3.079 1.00 92.05 7 A 1 ATOM 63 C CZ . PHE A 1 7 ? -5.552 2.840 -3.174 1.00 92.55 7 A 1 ATOM 64 N N . PHE A 1 8 ? -3.904 2.306 2.614 1.00 97.44 8 A 1 ATOM 65 C CA . PHE A 1 8 ? -3.052 3.426 3.001 1.00 97.55 8 A 1 ATOM 66 C C . PHE A 1 8 ? -1.624 2.966 3.286 1.00 97.87 8 A 1 ATOM 67 O O . PHE A 1 8 ? -0.661 3.627 2.895 1.00 97.78 8 A 1 ATOM 68 C CB . PHE A 1 8 ? -3.645 4.118 4.231 1.00 97.37 8 A 1 ATOM 69 C CG . PHE A 1 8 ? -2.781 5.234 4.758 1.00 95.13 8 A 1 ATOM 70 C CD1 . PHE A 1 8 ? -2.733 6.458 4.107 1.00 91.32 8 A 1 ATOM 71 C CD2 . PHE A 1 8 ? -2.013 5.041 5.896 1.00 92.62 8 A 1 ATOM 72 C CE1 . PHE A 1 8 ? -1.930 7.486 4.587 1.00 90.39 8 A 1 ATOM 73 C CE2 . PHE A 1 8 ? -1.201 6.068 6.378 1.00 90.61 8 A 1 ATOM 74 C CZ . PHE A 1 8 ? -1.161 7.288 5.724 1.00 91.06 8 A 1 ATOM 75 N N . LEU A 1 9 ? -1.501 1.829 3.958 1.00 97.83 9 A 1 ATOM 76 C CA . LEU A 1 9 ? -0.191 1.295 4.315 1.00 97.77 9 A 1 ATOM 77 C C . LEU A 1 9 ? 0.598 0.861 3.088 1.00 98.00 9 A 1 ATOM 78 O O . LEU A 1 9 ? 1.790 1.155 2.983 1.00 98.13 9 A 1 ATOM 79 C CB . LEU A 1 9 ? -0.352 0.111 5.270 1.00 97.61 9 A 1 ATOM 80 C CG . LEU A 1 9 ? -0.816 0.484 6.677 1.00 90.13 9 A 1 ATOM 81 C CD1 . LEU A 1 9 ? -1.094 -0.772 7.487 1.00 87.70 9 A 1 ATOM 82 C CD2 . LEU A 1 9 ? 0.228 1.341 7.383 1.00 90.70 9 A 1 ATOM 83 N N . LEU A 1 10 ? -0.058 0.167 2.166 1.00 97.97 10 A 1 ATOM 84 C CA . LEU A 1 10 ? 0.624 -0.300 0.961 1.00 97.84 10 A 1 ATOM 85 C C . LEU A 1 10 ? 1.017 0.875 0.070 1.00 98.03 10 A 1 ATOM 86 O O . LEU A 1 10 ? 2.087 0.869 -0.546 1.00 97.94 10 A 1 ATOM 87 C CB . LEU A 1 10 ? -0.247 -1.319 0.206 1.00 97.68 10 A 1 ATOM 88 C CG . LEU A 1 10 ? -1.492 -0.780 -0.496 1.00 93.77 10 A 1 ATOM 89 C CD1 . LEU A 1 10 ? -1.165 -0.337 -1.920 1.00 89.72 10 A 1 ATOM 90 C CD2 . LEU A 1 10 ? -2.572 -1.855 -0.535 1.00 91.48 10 A 1 ATOM 91 N N . LEU A 1 11 ? 0.167 1.891 0.004 1.00 97.97 11 A 1 ATOM 92 C CA . LEU A 1 11 ? 0.453 3.088 -0.784 1.00 97.79 11 A 1 ATOM 93 C C . LEU A 1 11 ? 1.616 3.859 -0.174 1.00 97.94 11 A 1 ATOM 94 O O . LEU A 1 11 ? 2.507 4.328 -0.886 1.00 97.76 11 A 1 ATOM 95 C CB . LEU A 1 11 ? -0.792 3.979 -0.857 1.00 97.43 11 A 1 ATOM 96 C CG . LEU A 1 11 ? -0.629 5.232 -1.725 1.00 90.23 11 A 1 ATOM 97 C CD1 . LEU A 1 11 ? -0.413 4.852 -3.186 1.00 86.89 11 A 1 ATOM 98 C CD2 . LEU A 1 11 ? -1.852 6.126 -1.592 1.00 88.73 11 A 1 ATOM 99 N N . LEU A 1 12 ? 1.611 3.982 1.139 1.00 97.89 12 A 1 ATOM 100 C CA . LEU A 1 12 ? 2.675 4.674 1.857 1.00 97.50 12 A 1 ATOM 101 C C . LEU A 1 12 ? 3.999 3.942 1.698 1.00 97.70 12 A 1 ATOM 102 O O . LEU A 1 12 ? 5.037 4.569 1.484 1.00 97.55 12 A 1 ATOM 103 C CB . LEU A 1 12 ? 2.309 4.787 3.339 1.00 97.12 12 A 1 ATOM 104 C CG . LEU A 1 12 ? 3.314 5.568 4.193 1.00 91.37 12 A 1 ATOM 105 C CD1 . LEU A 1 12 ? 3.390 7.019 3.751 1.00 86.83 12 A 1 ATOM 106 C CD2 . LEU A 1 12 ? 2.929 5.482 5.664 1.00 88.83 12 A 1 ATOM 107 N N . SER A 1 13 ? 3.967 2.624 1.787 1.00 97.74 13 A 1 ATOM 108 C CA . SER A 1 13 ? 5.165 1.800 1.642 1.00 97.52 13 A 1 ATOM 109 C C . SER A 1 13 ? 5.769 1.958 0.249 1.00 97.63 13 A 1 ATOM 110 O O . SER A 1 13 ? 6.983 2.078 0.099 1.00 97.05 13 A 1 ATOM 111 C CB . SER A 1 13 ? 4.831 0.331 1.897 1.00 97.10 13 A 1 ATOM 112 O OG . SER A 1 13 ? 4.365 0.140 3.215 1.00 92.58 13 A 1 ATOM 113 N N . PHE A 1 14 ? 4.920 1.972 -0.762 1.00 97.86 14 A 1 ATOM 114 C CA . PHE A 1 14 ? 5.366 2.139 -2.142 1.00 97.52 14 A 1 ATOM 115 C C . PHE A 1 14 ? 5.955 3.531 -2.352 1.00 97.83 14 A 1 ATOM 116 O O . PHE A 1 14 ? 6.973 3.689 -3.027 1.00 97.24 14 A 1 ATOM 117 C CB . PHE A 1 14 ? 4.193 1.905 -3.094 1.00 96.99 14 A 1 ATOM 118 C CG . PHE A 1 14 ? 4.622 1.761 -4.533 1.00 93.39 14 A 1 ATOM 119 C CD1 . PHE A 1 14 ? 4.765 2.879 -5.344 1.00 88.99 14 A 1 ATOM 120 C CD2 . PHE A 1 14 ? 4.887 0.508 -5.060 1.00 90.85 14 A 1 ATOM 121 C CE1 . PHE A 1 14 ? 5.171 2.755 -6.665 1.00 88.95 14 A 1 ATOM 122 C CE2 . PHE A 1 14 ? 5.295 0.380 -6.383 1.00 89.38 14 A 1 ATOM 123 C CZ . PHE A 1 14 ? 5.436 1.502 -7.182 1.00 89.96 14 A 1 ATOM 124 N N . THR A 1 15 ? 5.315 4.529 -1.761 1.00 97.98 15 A 1 ATOM 125 C CA . THR A 1 15 ? 5.760 5.912 -1.900 1.00 97.92 15 A 1 ATOM 126 C C . THR A 1 15 ? 7.113 6.130 -1.230 1.00 97.86 15 A 1 ATOM 127 O O . THR A 1 15 ? 8.031 6.679 -1.841 1.00 96.86 15 A 1 ATOM 128 C CB . THR A 1 15 ? 4.727 6.876 -1.299 1.00 97.32 15 A 1 ATOM 129 O OG1 . THR A 1 15 ? 3.455 6.659 -1.900 1.00 92.44 15 A 1 ATOM 130 C CG2 . THR A 1 15 ? 5.141 8.320 -1.539 1.00 90.70 15 A 1 ATOM 131 N N . ILE A 1 16 ? 7.236 5.704 0.013 1.00 98.14 16 A 1 ATOM 132 C CA . ILE A 1 16 ? 8.481 5.889 0.755 1.00 97.92 16 A 1 ATOM 133 C C . ILE A 1 16 ? 9.623 5.102 0.119 1.00 97.85 16 A 1 ATOM 134 O O . ILE A 1 16 ? 10.770 5.544 0.132 1.00 97.41 16 A 1 ATOM 135 C CB . ILE A 1 16 ? 8.329 5.485 2.240 1.00 97.35 16 A 1 ATOM 136 C CG1 . ILE A 1 16 ? 7.950 4.013 2.380 1.00 95.27 16 A 1 ATOM 137 C CG2 . ILE A 1 16 ? 7.306 6.384 2.928 1.00 94.01 16 A 1 ATOM 138 C CD1 . ILE A 1 16 ? 7.905 3.520 3.813 1.00 91.05 16 A 1 ATOM 139 N N . ASN A 1 17 ? 9.307 3.946 -0.441 1.00 97.10 17 A 1 ATOM 140 C CA . ASN A 1 17 ? 10.309 3.116 -1.095 1.00 96.24 17 A 1 ATOM 141 C C . ASN A 1 17 ? 10.837 3.796 -2.355 1.00 96.21 17 A 1 ATOM 142 O O . ASN A 1 17 ? 12.033 3.749 -2.645 1.00 95.37 17 A 1 ATOM 143 C CB . ASN A 1 17 ? 9.716 1.743 -1.438 1.00 94.89 17 A 1 ATOM 144 C CG . ASN A 1 17 ? 10.784 0.727 -1.793 1.00 87.96 17 A 1 ATOM 145 O OD1 . ASN A 1 17 ? 11.972 0.945 -1.581 1.00 81.35 17 A 1 ATOM 146 N ND2 . ASN A 1 17 ? 10.373 -0.412 -2.328 1.00 81.93 17 A 1 ATOM 147 N N . SER A 1 18 ? 9.942 4.445 -3.095 1.00 96.61 18 A 1 ATOM 148 C CA . SER A 1 18 ? 10.316 5.153 -4.319 1.00 96.23 18 A 1 ATOM 149 C C . SER A 1 18 ? 11.085 6.436 -4.013 1.00 95.77 18 A 1 ATOM 150 O O . SER A 1 18 ? 12.005 6.804 -4.743 1.00 93.50 18 A 1 ATOM 151 C CB . SER A 1 18 ? 9.070 5.482 -5.140 1.00 94.92 18 A 1 ATOM 152 O OG . SER A 1 18 ? 8.414 4.298 -5.546 1.00 84.73 18 A 1 ATOM 153 N N . VAL A 1 19 ? 10.703 7.113 -2.941 1.00 96.14 19 A 1 ATOM 154 C CA . VAL A 1 19 ? 11.357 8.361 -2.540 1.00 95.58 19 A 1 ATOM 155 C C . VAL A 1 19 ? 12.700 8.095 -1.865 1.00 95.60 19 A 1 ATOM 156 O O . VAL A 1 19 ? 13.678 8.811 -2.099 1.00 94.47 19 A 1 ATOM 157 C CB . VAL A 1 19 ? 10.452 9.178 -1.600 1.00 94.16 19 A 1 ATOM 158 C CG1 . VAL A 1 19 ? 11.180 10.422 -1.091 1.00 87.08 19 A 1 ATOM 159 C CG2 . VAL A 1 19 ? 9.171 9.585 -2.305 1.00 85.91 19 A 1 ATOM 160 N N . SER A 1 20 ? 12.729 7.074 -1.024 1.00 94.34 20 A 1 ATOM 161 C CA . SER A 1 20 ? 13.942 6.720 -0.289 1.00 93.00 20 A 1 ATOM 162 C C . SER A 1 20 ? 14.993 6.082 -1.195 1.00 91.12 20 A 1 ATOM 163 O O . SER A 1 20 ? 16.193 6.277 -1.002 1.00 87.40 20 A 1 ATOM 164 C CB . SER A 1 20 ? 13.606 5.772 0.863 1.00 91.23 20 A 1 ATOM 165 O OG . SER A 1 20 ? 14.743 5.523 1.660 1.00 80.73 20 A 1 ATOM 166 N N . ALA A 1 21 ? 14.529 5.317 -2.177 1.00 92.54 21 A 1 ATOM 167 C CA . ALA A 1 21 ? 15.420 4.618 -3.092 1.00 89.98 21 A 1 ATOM 168 C C . ALA A 1 21 ? 15.099 4.951 -4.554 1.00 85.59 21 A 1 ATOM 169 O O . ALA A 1 21 ? 13.911 5.102 -4.891 1.00 80.77 21 A 1 ATOM 170 C CB . ALA A 1 21 ? 15.336 3.112 -2.858 1.00 85.65 21 A 1 ATOM 171 O OXT . ALA A 1 21 ? 16.023 5.026 -5.378 1.00 74.27 21 A 1 #