# 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_spkb36149 # _entry.id spkb36149 # 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" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "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" "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" "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 GLY 3 1 n PRO 4 1 n ILE 5 1 n THR 6 1 n PHE 7 1 n LEU 8 1 n LEU 9 1 n GLN 10 1 n LEU 11 1 n GLY 12 1 n ALA 13 1 n VAL 14 1 n TYR 15 1 n THR 16 1 n SER 17 1 n ILE 18 1 n ALA 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 @ 2025-07-08 10:56:30)" _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 93.83 _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 84.43 1 1 A LYS 2 2 81.47 1 2 A GLY 3 2 94.58 1 3 A PRO 4 2 95.17 1 4 A ILE 5 2 94.50 1 5 A THR 6 2 96.25 1 6 A PHE 7 2 94.97 1 7 A LEU 8 2 95.56 1 8 A LEU 9 2 96.13 1 9 A GLN 10 2 93.94 1 10 A LEU 11 2 95.11 1 11 A GLY 12 2 98.02 1 12 A ALA 13 2 97.86 1 13 A VAL 14 2 97.24 1 14 A TYR 15 2 94.96 1 15 A THR 16 2 95.64 1 16 A SER 17 2 95.54 1 17 A ILE 18 2 94.99 1 18 A ALA 19 2 97.72 1 19 A SER 20 2 93.79 1 20 A ALA 21 2 88.79 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 GLY . 3 A 3 A 4 1 n PRO . 4 A 4 A 5 1 n ILE . 5 A 5 A 6 1 n THR . 6 A 6 A 7 1 n PHE . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n GLN . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n GLY . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n VAL . 14 A 14 A 15 1 n TYR . 15 A 15 A 16 1 n THR . 16 A 16 A 17 1 n SER . 17 A 17 A 18 1 n ILE . 18 A 18 A 19 1 n ALA . 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 ? -16.147 -6.975 0.506 1.00 89.34 1 A 1 ATOM 2 C CA . MET A 1 1 ? -15.537 -6.041 1.468 1.00 90.35 1 A 1 ATOM 3 C C . MET A 1 1 ? -14.475 -5.179 0.802 1.00 90.68 1 A 1 ATOM 4 O O . MET A 1 1 ? -13.436 -5.684 0.389 1.00 86.74 1 A 1 ATOM 5 C CB . MET A 1 1 ? -14.901 -6.805 2.630 1.00 85.99 1 A 1 ATOM 6 C CG . MET A 1 1 ? -15.863 -7.028 3.771 1.00 83.75 1 A 1 ATOM 7 S SD . MET A 1 1 ? -15.076 -7.807 5.179 1.00 79.60 1 A 1 ATOM 8 C CE . MET A 1 1 ? -16.359 -7.615 6.395 1.00 68.95 1 A 1 ATOM 9 N N . LYS A 1 2 ? -14.752 -3.894 0.714 1.00 88.56 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -13.808 -2.946 0.134 1.00 90.94 2 A 1 ATOM 11 C C . LYS A 1 2 ? -12.814 -2.460 1.186 1.00 92.17 2 A 1 ATOM 12 O O . LYS A 1 2 ? -11.823 -1.816 0.852 1.00 88.90 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -14.564 -1.761 -0.466 1.00 85.77 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -15.367 -0.977 0.554 1.00 78.52 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -16.043 0.227 -0.087 1.00 76.99 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -17.196 -0.175 -0.977 1.00 69.15 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -17.924 1.013 -1.481 1.00 62.24 2 A 1 ATOM 18 N N . GLY A 1 3 ? -13.098 -2.772 2.438 1.00 92.79 3 A 1 ATOM 19 C CA . GLY A 1 3 ? -12.228 -2.378 3.535 1.00 94.45 3 A 1 ATOM 20 C C . GLY A 1 3 ? -10.866 -3.040 3.472 1.00 95.84 3 A 1 ATOM 21 O O . GLY A 1 3 ? -9.851 -2.371 3.277 1.00 95.25 3 A 1 ATOM 22 N N . PRO A 1 4 ? -10.829 -4.373 3.642 1.00 95.14 4 A 1 ATOM 23 C CA . PRO A 1 4 ? -9.558 -5.108 3.588 1.00 96.46 4 A 1 ATOM 24 C C . PRO A 1 4 ? -8.857 -4.948 2.253 1.00 97.15 4 A 1 ATOM 25 O O . PRO A 1 4 ? -7.629 -4.868 2.190 1.00 96.16 4 A 1 ATOM 26 C CB . PRO A 1 4 ? -9.974 -6.569 3.804 1.00 94.47 4 A 1 ATOM 27 C CG . PRO A 1 4 ? -11.303 -6.487 4.481 1.00 92.48 4 A 1 ATOM 28 C CD . PRO A 1 4 ? -11.958 -5.241 3.950 1.00 94.30 4 A 1 ATOM 29 N N . ILE A 1 5 ? -9.634 -4.898 1.181 1.00 97.08 5 A 1 ATOM 30 C CA . ILE A 1 5 ? -9.072 -4.753 -0.158 1.00 97.09 5 A 1 ATOM 31 C C . ILE A 1 5 ? -8.367 -3.411 -0.301 1.00 97.50 5 A 1 ATOM 32 O O . ILE A 1 5 ? -7.233 -3.339 -0.777 1.00 97.30 5 A 1 ATOM 33 C CB . ILE A 1 5 ? -10.156 -4.886 -1.236 1.00 96.49 5 A 1 ATOM 34 C CG1 . ILE A 1 5 ? -10.814 -6.265 -1.165 1.00 93.16 5 A 1 ATOM 35 C CG2 . ILE A 1 5 ? -9.552 -4.656 -2.620 1.00 92.14 5 A 1 ATOM 36 C CD1 . ILE A 1 5 ? -12.014 -6.403 -2.081 1.00 85.21 5 A 1 ATOM 37 N N . THR A 1 6 ? -9.043 -2.347 0.098 1.00 97.85 6 A 1 ATOM 38 C CA . THR A 1 6 ? -8.460 -1.011 0.007 1.00 97.79 6 A 1 ATOM 39 C C . THR A 1 6 ? -7.281 -0.887 0.964 1.00 97.82 6 A 1 ATOM 40 O O . THR A 1 6 ? -6.329 -0.152 0.698 1.00 97.47 6 A 1 ATOM 41 C CB . THR A 1 6 ? -9.500 0.079 0.311 1.00 97.32 6 A 1 ATOM 42 O OG1 . THR A 1 6 ? -8.976 1.354 -0.075 1.00 93.60 6 A 1 ATOM 43 C CG2 . THR A 1 6 ? -9.847 0.121 1.781 1.00 91.92 6 A 1 ATOM 44 N N . PHE A 1 7 ? -7.352 -1.634 2.066 1.00 97.46 7 A 1 ATOM 45 C CA . PHE A 1 7 ? -6.270 -1.649 3.042 1.00 97.22 7 A 1 ATOM 46 C C . PHE A 1 7 ? -4.997 -2.182 2.402 1.00 97.62 7 A 1 ATOM 47 O O . PHE A 1 7 ? -3.922 -1.595 2.544 1.00 97.40 7 A 1 ATOM 48 C CB . PHE A 1 7 ? -6.653 -2.514 4.241 1.00 96.88 7 A 1 ATOM 49 C CG . PHE A 1 7 ? -5.614 -2.506 5.332 1.00 95.45 7 A 1 ATOM 50 C CD1 . PHE A 1 7 ? -5.463 -1.402 6.152 1.00 92.80 7 A 1 ATOM 51 C CD2 . PHE A 1 7 ? -4.795 -3.601 5.528 1.00 93.24 7 A 1 ATOM 52 C CE1 . PHE A 1 7 ? -4.511 -1.386 7.158 1.00 92.39 7 A 1 ATOM 53 C CE2 . PHE A 1 7 ? -3.833 -3.592 6.528 1.00 92.16 7 A 1 ATOM 54 C CZ . PHE A 1 7 ? -3.694 -2.485 7.344 1.00 92.05 7 A 1 ATOM 55 N N . LEU A 1 8 ? -5.133 -3.288 1.692 1.00 97.63 8 A 1 ATOM 56 C CA . LEU A 1 8 ? -3.996 -3.882 1.000 1.00 97.75 8 A 1 ATOM 57 C C . LEU A 1 8 ? -3.496 -2.954 -0.098 1.00 98.00 8 A 1 ATOM 58 O O . LEU A 1 8 ? -2.291 -2.824 -0.318 1.00 98.02 8 A 1 ATOM 59 C CB . LEU A 1 8 ? -4.392 -5.230 0.397 1.00 97.48 8 A 1 ATOM 60 C CG . LEU A 1 8 ? -4.610 -6.338 1.422 1.00 93.44 8 A 1 ATOM 61 C CD1 . LEU A 1 8 ? -5.257 -7.549 0.772 1.00 90.95 8 A 1 ATOM 62 C CD2 . LEU A 1 8 ? -3.284 -6.728 2.062 1.00 91.17 8 A 1 ATOM 63 N N . LEU A 1 9 ? -4.428 -2.313 -0.775 1.00 97.99 9 A 1 ATOM 64 C CA . LEU A 1 9 ? -4.086 -1.372 -1.835 1.00 97.97 9 A 1 ATOM 65 C C . LEU A 1 9 ? -3.288 -0.204 -1.274 1.00 98.15 9 A 1 ATOM 66 O O . LEU A 1 9 ? -2.293 0.225 -1.861 1.00 98.10 9 A 1 ATOM 67 C CB . LEU A 1 9 ? -5.354 -0.851 -2.509 1.00 97.70 9 A 1 ATOM 68 C CG . LEU A 1 9 ? -5.094 0.048 -3.720 1.00 94.62 9 A 1 ATOM 69 C CD1 . LEU A 1 9 ? -4.530 -0.766 -4.873 1.00 92.36 9 A 1 ATOM 70 C CD2 . LEU A 1 9 ? -6.367 0.759 -4.141 1.00 92.18 9 A 1 ATOM 71 N N . GLN A 1 10 ? -3.734 0.299 -0.138 1.00 97.92 10 A 1 ATOM 72 C CA . GLN A 1 10 ? -3.055 1.411 0.511 1.00 97.99 10 A 1 ATOM 73 C C . GLN A 1 10 ? -1.662 1.004 0.967 1.00 98.17 10 A 1 ATOM 74 O O . GLN A 1 10 ? -0.715 1.783 0.853 1.00 97.85 10 A 1 ATOM 75 C CB . GLN A 1 10 ? -3.866 1.904 1.706 1.00 97.71 10 A 1 ATOM 76 C CG . GLN A 1 10 ? -5.074 2.721 1.296 1.00 94.29 10 A 1 ATOM 77 C CD . GLN A 1 10 ? -5.798 3.311 2.488 1.00 90.55 10 A 1 ATOM 78 O OE1 . GLN A 1 10 ? -6.023 2.634 3.489 1.00 86.21 10 A 1 ATOM 79 N NE2 . GLN A 1 10 ? -6.161 4.577 2.405 1.00 84.81 10 A 1 ATOM 80 N N . LEU A 1 11 ? -1.547 -0.215 1.463 1.00 97.34 11 A 1 ATOM 81 C CA . LEU A 1 11 ? -0.252 -0.728 1.892 1.00 97.26 11 A 1 ATOM 82 C C . LEU A 1 11 ? 0.727 -0.736 0.727 1.00 97.50 11 A 1 ATOM 83 O O . LEU A 1 11 ? 1.888 -0.350 0.873 1.00 97.51 11 A 1 ATOM 84 C CB . LEU A 1 11 ? -0.404 -2.141 2.454 1.00 96.73 11 A 1 ATOM 85 C CG . LEU A 1 11 ? -1.013 -2.204 3.855 1.00 93.01 11 A 1 ATOM 86 C CD1 . LEU A 1 11 ? -1.291 -3.649 4.245 1.00 90.83 11 A 1 ATOM 87 C CD2 . LEU A 1 11 ? -0.088 -1.547 4.866 1.00 90.71 11 A 1 ATOM 88 N N . GLY A 1 12 ? 0.249 -1.176 -0.425 1.00 97.98 12 A 1 ATOM 89 C CA . GLY A 1 12 ? 1.084 -1.197 -1.615 1.00 97.94 12 A 1 ATOM 90 C C . GLY A 1 12 ? 1.493 0.198 -2.033 1.00 98.20 12 A 1 ATOM 91 O O . GLY A 1 12 ? 2.647 0.441 -2.388 1.00 97.97 12 A 1 ATOM 92 N N . ALA A 1 13 ? 0.543 1.124 -1.984 1.00 98.02 13 A 1 ATOM 93 C CA . ALA A 1 13 ? 0.809 2.510 -2.345 1.00 98.01 13 A 1 ATOM 94 C C . ALA A 1 13 ? 1.802 3.144 -1.381 1.00 98.14 13 A 1 ATOM 95 O O . ALA A 1 13 ? 2.712 3.861 -1.799 1.00 97.58 13 A 1 ATOM 96 C CB . ALA A 1 13 ? -0.490 3.304 -2.355 1.00 97.53 13 A 1 ATOM 97 N N . VAL A 1 14 ? 1.620 2.880 -0.094 1.00 98.12 14 A 1 ATOM 98 C CA . VAL A 1 14 ? 2.516 3.410 0.929 1.00 98.05 14 A 1 ATOM 99 C C . VAL A 1 14 ? 3.914 2.835 0.761 1.00 98.18 14 A 1 ATOM 100 O O . VAL A 1 14 ? 4.911 3.550 0.861 1.00 97.89 14 A 1 ATOM 101 C CB . VAL A 1 14 ? 1.992 3.093 2.336 1.00 97.47 14 A 1 ATOM 102 C CG1 . VAL A 1 14 ? 3.013 3.482 3.399 1.00 95.59 14 A 1 ATOM 103 C CG2 . VAL A 1 14 ? 0.682 3.822 2.585 1.00 95.35 14 A 1 ATOM 104 N N . TYR A 1 15 ? 3.963 1.540 0.507 1.00 97.92 15 A 1 ATOM 105 C CA . TYR A 1 15 ? 5.240 0.860 0.309 1.00 97.82 15 A 1 ATOM 106 C C . TYR A 1 15 ? 6.001 1.487 -0.851 1.00 97.92 15 A 1 ATOM 107 O O . TYR A 1 15 ? 7.197 1.773 -0.751 1.00 97.85 15 A 1 ATOM 108 C CB . TYR A 1 15 ? 5.009 -0.626 0.033 1.00 97.53 15 A 1 ATOM 109 C CG . TYR A 1 15 ? 6.286 -1.440 0.038 1.00 95.74 15 A 1 ATOM 110 C CD1 . TYR A 1 15 ? 6.842 -1.878 1.236 1.00 93.61 15 A 1 ATOM 111 C CD2 . TYR A 1 15 ? 6.924 -1.772 -1.145 1.00 93.36 15 A 1 ATOM 112 C CE1 . TYR A 1 15 ? 8.007 -2.623 1.248 1.00 92.23 15 A 1 ATOM 113 C CE2 . TYR A 1 15 ? 8.095 -2.516 -1.141 1.00 92.39 15 A 1 ATOM 114 C CZ . TYR A 1 15 ? 8.627 -2.938 0.058 1.00 92.48 15 A 1 ATOM 115 O OH . TYR A 1 15 ? 9.787 -3.675 0.069 1.00 90.69 15 A 1 ATOM 116 N N . THR A 1 16 ? 5.299 1.707 -1.941 1.00 98.23 16 A 1 ATOM 117 C CA . THR A 1 16 ? 5.900 2.321 -3.121 1.00 97.97 16 A 1 ATOM 118 C C . THR A 1 16 ? 6.311 3.761 -2.829 1.00 98.12 16 A 1 ATOM 119 O O . THR A 1 16 ? 7.368 4.219 -3.267 1.00 97.66 16 A 1 ATOM 120 C CB . THR A 1 16 ? 4.928 2.306 -4.302 1.00 97.24 16 A 1 ATOM 121 O OG1 . THR A 1 16 ? 4.511 0.967 -4.567 1.00 91.17 16 A 1 ATOM 122 C CG2 . THR A 1 16 ? 5.583 2.867 -5.553 1.00 89.10 16 A 1 ATOM 123 N N . SER A 1 17 ? 5.467 4.465 -2.085 1.00 98.04 17 A 1 ATOM 124 C CA . SER A 1 17 ? 5.739 5.852 -1.725 1.00 97.87 17 A 1 ATOM 125 C C . SER A 1 17 ? 7.007 5.957 -0.887 1.00 98.07 17 A 1 ATOM 126 O O . SER A 1 17 ? 7.847 6.826 -1.115 1.00 97.33 17 A 1 ATOM 127 C CB . SER A 1 17 ? 4.564 6.441 -0.953 1.00 97.08 17 A 1 ATOM 128 O OG . SER A 1 17 ? 4.781 7.810 -0.702 1.00 84.82 17 A 1 ATOM 129 N N . ILE A 1 18 ? 7.136 5.058 0.079 1.00 97.92 18 A 1 ATOM 130 C CA . ILE A 1 18 ? 8.311 5.037 0.945 1.00 97.63 18 A 1 ATOM 131 C C . ILE A 1 18 ? 9.565 4.727 0.139 1.00 97.80 18 A 1 ATOM 132 O O . ILE A 1 18 ? 10.618 5.336 0.336 1.00 97.56 18 A 1 ATOM 133 C CB . ILE A 1 18 ? 8.151 4.003 2.072 1.00 96.86 18 A 1 ATOM 134 C CG1 . ILE A 1 18 ? 7.009 4.405 3.004 1.00 92.78 18 A 1 ATOM 135 C CG2 . ILE A 1 18 ? 9.454 3.876 2.865 1.00 91.79 18 A 1 ATOM 136 C CD1 . ILE A 1 18 ? 6.609 3.307 3.971 1.00 87.59 18 A 1 ATOM 137 N N . ALA A 1 19 ? 9.442 3.773 -0.764 1.00 98.08 19 A 1 ATOM 138 C CA . ALA A 1 19 ? 10.567 3.389 -1.608 1.00 97.92 19 A 1 ATOM 139 C C . ALA A 1 19 ? 10.995 4.541 -2.512 1.00 97.93 19 A 1 ATOM 140 O O . ALA A 1 19 ? 12.169 4.670 -2.858 1.00 97.40 19 A 1 ATOM 141 C CB . ALA A 1 19 ? 10.203 2.173 -2.452 1.00 97.29 19 A 1 ATOM 142 N N . SER A 1 20 ? 10.037 5.376 -2.889 1.00 97.24 20 A 1 ATOM 143 C CA . SER A 1 20 ? 10.305 6.526 -3.752 1.00 96.91 20 A 1 ATOM 144 C C . SER A 1 20 ? 10.650 7.773 -2.945 1.00 96.74 20 A 1 ATOM 145 O O . SER A 1 20 ? 11.121 8.771 -3.494 1.00 94.03 20 A 1 ATOM 146 C CB . SER A 1 20 ? 9.099 6.815 -4.640 1.00 95.10 20 A 1 ATOM 147 O OG . SER A 1 20 ? 9.373 7.857 -5.553 1.00 82.69 20 A 1 ATOM 148 N N . ALA A 1 21 ? 10.423 7.714 -1.645 1.00 94.33 21 A 1 ATOM 149 C CA . ALA A 1 21 ? 10.672 8.853 -0.767 1.00 92.71 21 A 1 ATOM 150 C C . ALA A 1 21 ? 12.131 8.879 -0.325 1.00 90.96 21 A 1 ATOM 151 O O . ALA A 1 21 ? 12.490 8.169 0.625 1.00 85.84 21 A 1 ATOM 152 C CB . ALA A 1 21 ? 9.744 8.815 0.435 1.00 88.62 21 A 1 ATOM 153 O OXT . ALA A 1 21 ? 12.915 9.614 -0.940 1.00 80.27 21 A 1 #