# 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_spkb33451 # _entry.id spkb33451 # 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" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[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 GLU 2 1 n LEU 3 1 n LYS 4 1 n ASN 5 1 n THR 6 1 n ILE 7 1 n PHE 8 1 n LEU 9 1 n VAL 10 1 n ILE 11 1 n LEU 12 1 n LEU 13 1 n SER 14 1 n ILE 15 1 n THR 16 1 n ILE 17 1 n LEU 18 1 n GLN 19 1 n SER 20 1 n SER 21 1 n SER 22 1 n ALA 23 # _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 @ 2025-07-12 19:07:07)" _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 94.48 _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 89.12 1 1 A GLU 2 2 88.60 1 2 A LEU 3 2 95.81 1 3 A LYS 4 2 91.43 1 4 A ASN 5 2 94.64 1 5 A THR 6 2 96.67 1 6 A ILE 7 2 96.99 1 7 A PHE 8 2 96.70 1 8 A LEU 9 2 96.55 1 9 A VAL 10 2 98.34 1 10 A ILE 11 2 98.02 1 11 A LEU 12 2 95.76 1 12 A LEU 13 2 96.16 1 13 A SER 14 2 97.69 1 14 A ILE 15 2 97.46 1 15 A THR 16 2 97.29 1 16 A ILE 17 2 97.52 1 17 A LEU 18 2 95.69 1 18 A GLN 19 2 91.24 1 19 A SER 20 2 94.29 1 20 A SER 21 2 92.34 1 21 A SER 22 2 89.00 1 22 A ALA 23 2 83.83 1 23 # _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 GLU . 2 A 2 A 3 1 n LEU . 3 A 3 A 4 1 n LYS . 4 A 4 A 5 1 n ASN . 5 A 5 A 6 1 n THR . 6 A 6 A 7 1 n ILE . 7 A 7 A 8 1 n PHE . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n VAL . 10 A 10 A 11 1 n ILE . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n SER . 14 A 14 A 15 1 n ILE . 15 A 15 A 16 1 n THR . 16 A 16 A 17 1 n ILE . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n GLN . 19 A 19 A 20 1 n SER . 20 A 20 A 21 1 n SER . 21 A 21 A 22 1 n SER . 22 A 22 A 23 1 n ALA . 23 A 23 # _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 ? -10.609 4.241 14.105 1.00 95.27 1 A 1 ATOM 2 C CA . MET A 1 1 ? -10.273 3.813 12.740 1.00 96.76 1 A 1 ATOM 3 C C . MET A 1 1 ? -11.116 2.612 12.334 1.00 96.98 1 A 1 ATOM 4 O O . MET A 1 1 ? -11.458 1.782 13.173 1.00 95.39 1 A 1 ATOM 5 C CB . MET A 1 1 ? -8.791 3.437 12.617 1.00 94.61 1 A 1 ATOM 6 C CG . MET A 1 1 ? -7.847 4.602 12.875 1.00 85.81 1 A 1 ATOM 7 S SD . MET A 1 1 ? -6.108 4.113 12.768 1.00 78.13 1 A 1 ATOM 8 C CE . MET A 1 1 ? -5.309 5.679 13.086 1.00 70.00 1 A 1 ATOM 9 N N . GLU A 1 2 ? -11.459 2.521 11.058 1.00 95.44 2 A 1 ATOM 10 C CA . GLU A 1 2 ? -12.229 1.407 10.529 1.00 96.75 2 A 1 ATOM 11 C C . GLU A 1 2 ? -11.305 0.326 9.973 1.00 97.07 2 A 1 ATOM 12 O O . GLU A 1 2 ? -10.139 0.584 9.672 1.00 95.72 2 A 1 ATOM 13 C CB . GLU A 1 2 ? -13.172 1.888 9.426 1.00 94.59 2 A 1 ATOM 14 C CG . GLU A 1 2 ? -14.237 2.849 9.920 1.00 82.93 2 A 1 ATOM 15 C CD . GLU A 1 2 ? -15.116 3.324 8.789 1.00 81.42 2 A 1 ATOM 16 O OE1 . GLU A 1 2 ? -15.813 2.493 8.189 1.00 75.29 2 A 1 ATOM 17 O OE2 . GLU A 1 2 ? -15.083 4.532 8.500 1.00 78.17 2 A 1 ATOM 18 N N . LEU A 1 3 ? -11.846 -0.877 9.819 1.00 97.64 3 A 1 ATOM 19 C CA . LEU A 1 3 ? -11.090 -1.998 9.259 1.00 98.20 3 A 1 ATOM 20 C C . LEU A 1 3 ? -10.675 -1.707 7.816 1.00 98.27 3 A 1 ATOM 21 O O . LEU A 1 3 ? -9.546 -2.001 7.414 1.00 97.90 3 A 1 ATOM 22 C CB . LEU A 1 3 ? -11.932 -3.278 9.335 1.00 98.03 3 A 1 ATOM 23 C CG . LEU A 1 3 ? -11.247 -4.537 8.792 1.00 94.86 3 A 1 ATOM 24 C CD1 . LEU A 1 3 ? -9.990 -4.870 9.590 1.00 90.91 3 A 1 ATOM 25 C CD2 . LEU A 1 3 ? -12.225 -5.707 8.850 1.00 90.71 3 A 1 ATOM 26 N N . LYS A 1 4 ? -11.592 -1.103 7.044 1.00 98.09 4 A 1 ATOM 27 C CA . LYS A 1 4 ? -11.324 -0.735 5.653 1.00 98.26 4 A 1 ATOM 28 C C . LYS A 1 4 ? -10.168 0.263 5.554 1.00 98.25 4 A 1 ATOM 29 O O . LYS A 1 4 ? -9.333 0.163 4.657 1.00 98.04 4 A 1 ATOM 30 C CB . LYS A 1 4 ? -12.573 -0.150 4.991 1.00 97.98 4 A 1 ATOM 31 C CG . LYS A 1 4 ? -13.601 -1.181 4.531 1.00 92.22 4 A 1 ATOM 32 C CD . LYS A 1 4 ? -14.341 -1.830 5.692 1.00 87.07 4 A 1 ATOM 33 C CE . LYS A 1 4 ? -15.412 -2.787 5.206 1.00 80.04 4 A 1 ATOM 34 N NZ . LYS A 1 4 ? -16.165 -3.397 6.324 1.00 72.92 4 A 1 ATOM 35 N N . ASN A 1 5 ? -10.109 1.208 6.471 1.00 97.71 5 A 1 ATOM 36 C CA . ASN A 1 5 ? -9.039 2.203 6.513 1.00 97.94 5 A 1 ATOM 37 C C . ASN A 1 5 ? -7.685 1.548 6.791 1.00 98.20 5 A 1 ATOM 38 O O . ASN A 1 5 ? -6.677 1.895 6.173 1.00 98.05 5 A 1 ATOM 39 C CB . ASN A 1 5 ? -9.347 3.260 7.583 1.00 97.49 5 A 1 ATOM 40 C CG . ASN A 1 5 ? -8.363 4.410 7.549 1.00 92.65 5 A 1 ATOM 41 O OD1 . ASN A 1 5 ? -8.109 4.993 6.506 1.00 87.17 5 A 1 ATOM 42 N ND2 . ASN A 1 5 ? -7.804 4.761 8.693 1.00 87.91 5 A 1 ATOM 43 N N . THR A 1 6 ? -7.664 0.575 7.704 1.00 97.97 6 A 1 ATOM 44 C CA . THR A 1 6 ? -6.449 -0.168 8.038 1.00 98.29 6 A 1 ATOM 45 C C . THR A 1 6 ? -5.961 -0.977 6.837 1.00 98.56 6 A 1 ATOM 46 O O . THR A 1 6 ? -4.770 -0.970 6.527 1.00 98.44 6 A 1 ATOM 47 C CB . THR A 1 6 ? -6.691 -1.101 9.230 1.00 98.05 6 A 1 ATOM 48 O OG1 . THR A 1 6 ? -7.145 -0.337 10.346 1.00 93.69 6 A 1 ATOM 49 C CG2 . THR A 1 6 ? -5.416 -1.835 9.626 1.00 91.70 6 A 1 ATOM 50 N N . ILE A 1 7 ? -6.872 -1.655 6.148 1.00 98.25 7 A 1 ATOM 51 C CA . ILE A 1 7 ? -6.541 -2.435 4.953 1.00 98.45 7 A 1 ATOM 52 C C . ILE A 1 7 ? -5.959 -1.527 3.869 1.00 98.55 7 A 1 ATOM 53 O O . ILE A 1 7 ? -4.937 -1.856 3.259 1.00 98.50 7 A 1 ATOM 54 C CB . ILE A 1 7 ? -7.777 -3.191 4.428 1.00 98.45 7 A 1 ATOM 55 C CG1 . ILE A 1 7 ? -8.212 -4.259 5.442 1.00 96.68 7 A 1 ATOM 56 C CG2 . ILE A 1 7 ? -7.483 -3.836 3.071 1.00 95.93 7 A 1 ATOM 57 C CD1 . ILE A 1 7 ? -9.568 -4.877 5.147 1.00 91.09 7 A 1 ATOM 58 N N . PHE A 1 8 ? -6.586 -0.373 3.646 1.00 98.34 8 A 1 ATOM 59 C CA . PHE A 1 8 ? -6.113 0.607 2.672 1.00 98.41 8 A 1 ATOM 60 C C . PHE A 1 8 ? -4.682 1.056 2.980 1.00 98.49 8 A 1 ATOM 61 O O . PHE A 1 8 ? -3.835 1.109 2.087 1.00 98.49 8 A 1 ATOM 62 C CB . PHE A 1 8 ? -7.058 1.813 2.652 1.00 98.36 8 A 1 ATOM 63 C CG . PHE A 1 8 ? -6.580 2.942 1.773 1.00 97.36 8 A 1 ATOM 64 C CD1 . PHE A 1 8 ? -6.703 2.865 0.389 1.00 94.73 8 A 1 ATOM 65 C CD2 . PHE A 1 8 ? -5.993 4.064 2.339 1.00 95.61 8 A 1 ATOM 66 C CE1 . PHE A 1 8 ? -6.247 3.898 -0.422 1.00 94.33 8 A 1 ATOM 67 C CE2 . PHE A 1 8 ? -5.526 5.104 1.531 1.00 94.60 8 A 1 ATOM 68 C CZ . PHE A 1 8 ? -5.654 5.019 0.153 1.00 94.98 8 A 1 ATOM 69 N N . LEU A 1 9 ? -4.409 1.359 4.248 1.00 98.46 9 A 1 ATOM 70 C CA . LEU A 1 9 ? -3.088 1.800 4.682 1.00 98.44 9 A 1 ATOM 71 C C . LEU A 1 9 ? -2.031 0.714 4.466 1.00 98.54 9 A 1 ATOM 72 O O . LEU A 1 9 ? -0.924 1.006 4.013 1.00 98.61 9 A 1 ATOM 73 C CB . LEU A 1 9 ? -3.142 2.220 6.159 1.00 98.34 9 A 1 ATOM 74 C CG . LEU A 1 9 ? -1.840 2.808 6.718 1.00 95.12 9 A 1 ATOM 75 C CD1 . LEU A 1 9 ? -1.433 4.076 5.968 1.00 91.87 9 A 1 ATOM 76 C CD2 . LEU A 1 9 ? -2.005 3.117 8.202 1.00 93.00 9 A 1 ATOM 77 N N . VAL A 1 10 ? -2.367 -0.534 4.772 1.00 98.75 10 A 1 ATOM 78 C CA . VAL A 1 10 ? -1.454 -1.667 4.580 1.00 98.75 10 A 1 ATOM 79 C C . VAL A 1 10 ? -1.127 -1.868 3.100 1.00 98.80 10 A 1 ATOM 80 O O . VAL A 1 10 ? 0.034 -2.086 2.741 1.00 98.69 10 A 1 ATOM 81 C CB . VAL A 1 10 ? -2.041 -2.957 5.189 1.00 98.58 10 A 1 ATOM 82 C CG1 . VAL A 1 10 ? -1.199 -4.183 4.833 1.00 97.40 10 A 1 ATOM 83 C CG2 . VAL A 1 10 ? -2.119 -2.830 6.706 1.00 97.40 10 A 1 ATOM 84 N N . ILE A 1 11 ? -2.132 -1.784 2.240 1.00 98.67 11 A 1 ATOM 85 C CA . ILE A 1 11 ? -1.934 -1.920 0.795 1.00 98.65 11 A 1 ATOM 86 C C . ILE A 1 11 ? -1.028 -0.805 0.273 1.00 98.68 11 A 1 ATOM 87 O O . ILE A 1 11 ? -0.073 -1.068 -0.465 1.00 98.55 11 A 1 ATOM 88 C CB . ILE A 1 11 ? -3.286 -1.925 0.046 1.00 98.58 11 A 1 ATOM 89 C CG1 . ILE A 1 11 ? -4.070 -3.202 0.387 1.00 97.79 11 A 1 ATOM 90 C CG2 . ILE A 1 11 ? -3.073 -1.818 -1.466 1.00 97.54 11 A 1 ATOM 91 C CD1 . ILE A 1 11 ? -5.510 -3.190 -0.100 1.00 95.69 11 A 1 ATOM 92 N N . LEU A 1 12 ? -1.303 0.432 0.666 1.00 98.68 12 A 1 ATOM 93 C CA . LEU A 1 12 ? -0.504 1.585 0.252 1.00 98.56 12 A 1 ATOM 94 C C . LEU A 1 12 ? 0.954 1.438 0.699 1.00 98.58 12 A 1 ATOM 95 O O . LEU A 1 12 ? 1.881 1.712 -0.070 1.00 98.47 12 A 1 ATOM 96 C CB . LEU A 1 12 ? -1.123 2.870 0.822 1.00 98.37 12 A 1 ATOM 97 C CG . LEU A 1 12 ? -0.430 4.170 0.410 1.00 92.00 12 A 1 ATOM 98 C CD1 . LEU A 1 12 ? -0.484 4.368 -1.102 1.00 89.57 12 A 1 ATOM 99 C CD2 . LEU A 1 12 ? -1.083 5.355 1.108 1.00 91.85 12 A 1 ATOM 100 N N . LEU A 1 13 ? 1.160 0.990 1.930 1.00 98.70 13 A 1 ATOM 101 C CA . LEU A 1 13 ? 2.495 0.772 2.484 1.00 98.57 13 A 1 ATOM 102 C C . LEU A 1 13 ? 3.238 -0.328 1.725 1.00 98.61 13 A 1 ATOM 103 O O . LEU A 1 13 ? 4.421 -0.180 1.414 1.00 98.49 13 A 1 ATOM 104 C CB . LEU A 1 13 ? 2.381 0.427 3.979 1.00 98.39 13 A 1 ATOM 105 C CG . LEU A 1 13 ? 3.719 0.229 4.707 1.00 93.63 13 A 1 ATOM 106 C CD1 . LEU A 1 13 ? 4.571 1.494 4.661 1.00 90.33 13 A 1 ATOM 107 C CD2 . LEU A 1 13 ? 3.465 -0.174 6.156 1.00 92.53 13 A 1 ATOM 108 N N . SER A 1 14 ? 2.558 -1.423 1.403 1.00 98.57 14 A 1 ATOM 109 C CA . SER A 1 14 ? 3.169 -2.541 0.683 1.00 98.55 14 A 1 ATOM 110 C C . SER A 1 14 ? 3.635 -2.127 -0.714 1.00 98.60 14 A 1 ATOM 111 O O . SER A 1 14 ? 4.719 -2.520 -1.153 1.00 98.26 14 A 1 ATOM 112 C CB . SER A 1 14 ? 2.195 -3.727 0.605 1.00 98.21 14 A 1 ATOM 113 O OG . SER A 1 14 ? 1.071 -3.457 -0.183 1.00 93.92 14 A 1 ATOM 114 N N . ILE A 1 15 ? 2.841 -1.312 -1.407 1.00 98.69 15 A 1 ATOM 115 C CA . ILE A 1 15 ? 3.202 -0.786 -2.723 1.00 98.58 15 A 1 ATOM 116 C C . ILE A 1 15 ? 4.430 0.118 -2.609 1.00 98.63 15 A 1 ATOM 117 O O . ILE A 1 15 ? 5.348 0.034 -3.430 1.00 98.42 15 A 1 ATOM 118 C CB . ILE A 1 15 ? 2.016 -0.023 -3.358 1.00 98.35 15 A 1 ATOM 119 C CG1 . ILE A 1 15 ? 0.852 -0.988 -3.649 1.00 96.68 15 A 1 ATOM 120 C CG2 . ILE A 1 15 ? 2.446 0.684 -4.644 1.00 95.75 15 A 1 ATOM 121 C CD1 . ILE A 1 15 ? -0.451 -0.289 -4.009 1.00 94.61 15 A 1 ATOM 122 N N . THR A 1 16 ? 4.463 0.967 -1.585 1.00 98.69 16 A 1 ATOM 123 C CA . THR A 1 16 ? 5.585 1.876 -1.345 1.00 98.61 16 A 1 ATOM 124 C C . THR A 1 16 ? 6.887 1.103 -1.104 1.00 98.63 16 A 1 ATOM 125 O O . THR A 1 16 ? 7.931 1.444 -1.668 1.00 98.27 16 A 1 ATOM 126 C CB . THR A 1 16 ? 5.285 2.798 -0.151 1.00 98.29 16 A 1 ATOM 127 O OG1 . THR A 1 16 ? 4.090 3.536 -0.390 1.00 94.65 16 A 1 ATOM 128 C CG2 . THR A 1 16 ? 6.420 3.791 0.082 1.00 93.86 16 A 1 ATOM 129 N N . ILE A 1 17 ? 6.833 0.057 -0.286 1.00 98.73 17 A 1 ATOM 130 C CA . ILE A 1 17 ? 7.995 -0.782 0.013 1.00 98.60 17 A 1 ATOM 131 C C . ILE A 1 17 ? 8.485 -1.488 -1.252 1.00 98.61 17 A 1 ATOM 132 O O . ILE A 1 17 ? 9.686 -1.508 -1.539 1.00 98.39 17 A 1 ATOM 133 C CB . ILE A 1 17 ? 7.665 -1.807 1.123 1.00 98.35 17 A 1 ATOM 134 C CG1 . ILE A 1 17 ? 7.385 -1.080 2.452 1.00 97.08 17 A 1 ATOM 135 C CG2 . ILE A 1 17 ? 8.809 -2.813 1.301 1.00 96.39 17 A 1 ATOM 136 C CD1 . ILE A 1 17 ? 6.775 -1.966 3.529 1.00 94.04 17 A 1 ATOM 137 N N . LEU A 1 18 ? 7.556 -2.048 -2.018 1.00 98.64 18 A 1 ATOM 138 C CA . LEU A 1 18 ? 7.885 -2.743 -3.263 1.00 98.48 18 A 1 ATOM 139 C C . LEU A 1 18 ? 8.548 -1.799 -4.264 1.00 98.41 18 A 1 ATOM 140 O O . LEU A 1 18 ? 9.546 -2.151 -4.897 1.00 97.95 18 A 1 ATOM 141 C CB . LEU A 1 18 ? 6.613 -3.363 -3.860 1.00 98.10 18 A 1 ATOM 142 C CG . LEU A 1 18 ? 6.818 -4.169 -5.145 1.00 93.81 18 A 1 ATOM 143 C CD1 . LEU A 1 18 ? 7.726 -5.367 -4.901 1.00 89.96 18 A 1 ATOM 144 C CD2 . LEU A 1 18 ? 5.469 -4.636 -5.683 1.00 90.17 18 A 1 ATOM 145 N N . GLN A 1 19 ? 8.007 -0.589 -4.401 1.00 98.46 19 A 1 ATOM 146 C CA . GLN A 1 19 ? 8.538 0.424 -5.305 1.00 98.15 19 A 1 ATOM 147 C C . GLN A 1 19 ? 9.951 0.849 -4.897 1.00 97.73 19 A 1 ATOM 148 O O . GLN A 1 19 ? 10.835 0.993 -5.744 1.00 95.98 19 A 1 ATOM 149 C CB . GLN A 1 19 ? 7.594 1.635 -5.318 1.00 97.42 19 A 1 ATOM 150 C CG . GLN A 1 19 ? 7.883 2.632 -6.432 1.00 91.73 19 A 1 ATOM 151 C CD . GLN A 1 19 ? 7.527 2.077 -7.804 1.00 86.12 19 A 1 ATOM 152 O OE1 . GLN A 1 19 ? 8.379 1.934 -8.665 1.00 80.33 19 A 1 ATOM 153 N NE2 . GLN A 1 19 ? 6.269 1.772 -8.021 1.00 75.27 19 A 1 ATOM 154 N N . SER A 1 20 ? 10.174 1.026 -3.599 1.00 98.11 20 A 1 ATOM 155 C CA . SER A 1 20 ? 11.474 1.431 -3.059 1.00 97.58 20 A 1 ATOM 156 C C . SER A 1 20 ? 12.543 0.353 -3.259 1.00 96.76 20 A 1 ATOM 157 O O . SER A 1 20 ? 13.708 0.664 -3.509 1.00 93.73 20 A 1 ATOM 158 C CB . SER A 1 20 ? 11.350 1.762 -1.570 1.00 96.30 20 A 1 ATOM 159 O OG . SER A 1 20 ? 10.422 2.811 -1.355 1.00 83.24 20 A 1 ATOM 160 N N . SER A 1 21 ? 12.138 -0.921 -3.159 1.00 97.15 21 A 1 ATOM 161 C CA . SER A 1 21 ? 13.053 -2.053 -3.328 1.00 96.11 21 A 1 ATOM 162 C C . SER A 1 21 ? 13.446 -2.273 -4.792 1.00 94.59 21 A 1 ATOM 163 O O . SER A 1 21 ? 14.562 -2.709 -5.082 1.00 90.15 21 A 1 ATOM 164 C CB . SER A 1 21 ? 12.419 -3.329 -2.769 1.00 94.43 21 A 1 ATOM 165 O OG . SER A 1 21 ? 12.105 -3.179 -1.393 1.00 81.61 21 A 1 ATOM 166 N N . SER A 1 22 ? 12.519 -1.975 -5.710 1.00 95.16 22 A 1 ATOM 167 C CA . SER A 1 22 ? 12.729 -2.180 -7.144 1.00 93.53 22 A 1 ATOM 168 C C . SER A 1 22 ? 13.570 -1.073 -7.784 1.00 90.45 22 A 1 ATOM 169 O O . SER A 1 22 ? 14.401 -1.344 -8.649 1.00 84.49 22 A 1 ATOM 170 C CB . SER A 1 22 ? 11.380 -2.293 -7.857 1.00 90.82 22 A 1 ATOM 171 O OG . SER A 1 22 ? 10.617 -3.369 -7.331 1.00 79.58 22 A 1 ATOM 172 N N . ALA A 1 23 ? 13.337 0.176 -7.359 1.00 93.12 23 A 1 ATOM 173 C CA . ALA A 1 23 ? 14.002 1.350 -7.928 1.00 89.72 23 A 1 ATOM 174 C C . ALA A 1 23 ? 14.972 1.974 -6.923 1.00 83.95 23 A 1 ATOM 175 O O . ALA A 1 23 ? 14.617 2.949 -6.247 1.00 78.35 23 A 1 ATOM 176 C CB . ALA A 1 23 ? 12.960 2.366 -8.381 1.00 84.29 23 A 1 ATOM 177 O OXT . ALA A 1 23 ? 16.115 1.480 -6.828 1.00 73.53 23 A 1 #