# 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_spkb33641 # _entry.id spkb33641 # 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 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" "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 GLN 2 1 n PHE 3 1 n LYS 4 1 n PRO 5 1 n ALA 6 1 n VAL 7 1 n THR 8 1 n ALA 9 1 n LEU 10 1 n VAL 11 1 n SER 12 1 n ALA 13 1 n VAL 14 1 n ALA 15 1 n LEU 16 1 n ALA 17 1 n THR 18 1 n LEU 19 1 n LEU 20 1 n SER 21 1 n GLY 22 # _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 @ 2025-07-11 10:43:23)" _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 94.21 _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 83.03 1 1 A GLN 2 2 84.84 1 2 A PHE 3 2 85.77 1 3 A LYS 4 2 89.68 1 4 A PRO 5 2 95.93 1 5 A ALA 6 2 97.26 1 6 A VAL 7 2 97.00 1 7 A THR 8 2 95.99 1 8 A ALA 9 2 97.72 1 9 A LEU 10 2 95.48 1 10 A VAL 11 2 97.16 1 11 A SER 12 2 96.67 1 12 A ALA 13 2 98.44 1 13 A VAL 14 2 98.08 1 14 A ALA 15 2 98.64 1 15 A LEU 16 2 96.94 1 16 A ALA 17 2 98.78 1 17 A THR 18 2 97.83 1 18 A LEU 19 2 97.65 1 19 A LEU 20 2 97.47 1 20 A SER 21 2 96.23 1 21 A GLY 22 2 90.00 1 22 # _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 GLN . 2 A 2 A 3 1 n PHE . 3 A 3 A 4 1 n LYS . 4 A 4 A 5 1 n PRO . 5 A 5 A 6 1 n ALA . 6 A 6 A 7 1 n VAL . 7 A 7 A 8 1 n THR . 8 A 8 A 9 1 n ALA . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n VAL . 11 A 11 A 12 1 n SER . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n VAL . 14 A 14 A 15 1 n ALA . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n ALA . 17 A 17 A 18 1 n THR . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n LEU . 20 A 20 A 21 1 n SER . 21 A 21 A 22 1 n GLY . 22 A 22 # _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 ? -5.466 -15.643 -5.941 1.00 89.09 1 A 1 ATOM 2 C CA . MET A 1 1 ? -4.346 -15.616 -4.992 1.00 89.48 1 A 1 ATOM 3 C C . MET A 1 1 ? -4.594 -14.527 -3.957 1.00 89.83 1 A 1 ATOM 4 O O . MET A 1 1 ? -4.910 -13.395 -4.320 1.00 86.24 1 A 1 ATOM 5 C CB . MET A 1 1 ? -3.024 -15.350 -5.714 1.00 85.38 1 A 1 ATOM 6 C CG . MET A 1 1 ? -1.802 -15.507 -4.825 1.00 81.39 1 A 1 ATOM 7 S SD . MET A 1 1 ? -0.278 -15.341 -5.774 1.00 76.39 1 A 1 ATOM 8 C CE . MET A 1 1 ? 0.923 -15.632 -4.480 1.00 66.44 1 A 1 ATOM 9 N N . GLN A 1 2 ? -4.467 -14.866 -2.685 1.00 92.22 2 A 1 ATOM 10 C CA . GLN A 1 2 ? -4.713 -13.903 -1.611 1.00 92.92 2 A 1 ATOM 11 C C . GLN A 1 2 ? -3.623 -12.833 -1.579 1.00 93.44 2 A 1 ATOM 12 O O . GLN A 1 2 ? -2.479 -13.073 -1.955 1.00 89.99 2 A 1 ATOM 13 C CB . GLN A 1 2 ? -4.759 -14.621 -0.267 1.00 90.21 2 A 1 ATOM 14 C CG . GLN A 1 2 ? -6.007 -15.480 -0.126 1.00 81.81 2 A 1 ATOM 15 C CD . GLN A 1 2 ? -6.046 -16.181 1.214 1.00 79.16 2 A 1 ATOM 16 O OE1 . GLN A 1 2 ? -5.023 -16.421 1.832 1.00 73.44 2 A 1 ATOM 17 N NE2 . GLN A 1 2 ? -7.219 -16.525 1.684 1.00 70.36 2 A 1 ATOM 18 N N . PHE A 1 3 ? -3.990 -11.654 -1.124 1.00 91.14 3 A 1 ATOM 19 C CA . PHE A 1 3 ? -3.038 -10.554 -1.023 1.00 92.55 3 A 1 ATOM 20 C C . PHE A 1 3 ? -2.195 -10.718 0.233 1.00 94.34 3 A 1 ATOM 21 O O . PHE A 1 3 ? -2.717 -10.980 1.317 1.00 92.26 3 A 1 ATOM 22 C CB . PHE A 1 3 ? -3.774 -9.219 -0.981 1.00 90.29 3 A 1 ATOM 23 C CG . PHE A 1 3 ? -4.506 -8.931 -2.267 1.00 84.63 3 A 1 ATOM 24 C CD1 . PHE A 1 3 ? -3.815 -8.462 -3.375 1.00 82.06 3 A 1 ATOM 25 C CD2 . PHE A 1 3 ? -5.875 -9.130 -2.362 1.00 80.10 3 A 1 ATOM 26 C CE1 . PHE A 1 3 ? -4.480 -8.195 -4.566 1.00 79.06 3 A 1 ATOM 27 C CE2 . PHE A 1 3 ? -6.549 -8.867 -3.552 1.00 79.00 3 A 1 ATOM 28 C CZ . PHE A 1 3 ? -5.850 -8.400 -4.654 1.00 78.03 3 A 1 ATOM 29 N N . LYS A 1 4 ? -0.895 -10.542 0.093 1.00 95.35 4 A 1 ATOM 30 C CA . LYS A 1 4 ? 0.023 -10.659 1.216 1.00 96.26 4 A 1 ATOM 31 C C . LYS A 1 4 ? -0.136 -9.453 2.141 1.00 96.86 4 A 1 ATOM 32 O O . LYS A 1 4 ? -0.542 -8.379 1.689 1.00 96.82 4 A 1 ATOM 33 C CB . LYS A 1 4 ? 1.454 -10.764 0.694 1.00 95.01 4 A 1 ATOM 34 C CG . LYS A 1 4 ? 1.707 -12.068 -0.043 1.00 88.53 4 A 1 ATOM 35 C CD . LYS A 1 4 ? 3.147 -12.165 -0.535 1.00 86.33 4 A 1 ATOM 36 C CE . LYS A 1 4 ? 3.397 -11.211 -1.687 1.00 79.27 4 A 1 ATOM 37 N NZ . LYS A 1 4 ? 4.766 -11.389 -2.255 1.00 72.68 4 A 1 ATOM 38 N N . PRO A 1 5 ? 0.196 -9.592 3.435 1.00 96.48 5 A 1 ATOM 39 C CA . PRO A 1 5 ? 0.090 -8.484 4.390 1.00 96.91 5 A 1 ATOM 40 C C . PRO A 1 5 ? 0.923 -7.280 3.959 1.00 97.48 5 A 1 ATOM 41 O O . PRO A 1 5 ? 0.522 -6.133 4.173 1.00 97.16 5 A 1 ATOM 42 C CB . PRO A 1 5 ? 0.609 -9.081 5.705 1.00 95.55 5 A 1 ATOM 43 C CG . PRO A 1 5 ? 1.413 -10.281 5.294 1.00 93.08 5 A 1 ATOM 44 C CD . PRO A 1 5 ? 0.750 -10.797 4.053 1.00 94.87 5 A 1 ATOM 45 N N . ALA A 1 6 ? 2.069 -7.529 3.350 1.00 97.16 6 A 1 ATOM 46 C CA . ALA A 1 6 ? 2.944 -6.466 2.869 1.00 97.39 6 A 1 ATOM 47 C C . ALA A 1 6 ? 2.263 -5.643 1.772 1.00 97.63 6 A 1 ATOM 48 O O . ALA A 1 6 ? 2.377 -4.416 1.743 1.00 97.14 6 A 1 ATOM 49 C CB . ALA A 1 6 ? 4.244 -7.072 2.356 1.00 96.97 6 A 1 ATOM 50 N N . VAL A 1 7 ? 1.541 -6.311 0.882 1.00 97.68 7 A 1 ATOM 51 C CA . VAL A 1 7 ? 0.828 -5.645 -0.209 1.00 97.78 7 A 1 ATOM 52 C C . VAL A 1 7 ? -0.283 -4.759 0.348 1.00 97.90 7 A 1 ATOM 53 O O . VAL A 1 7 ? -0.436 -3.605 -0.060 1.00 97.80 7 A 1 ATOM 54 C CB . VAL A 1 7 ? 0.245 -6.672 -1.192 1.00 97.43 7 A 1 ATOM 55 C CG1 . VAL A 1 7 ? -0.584 -5.985 -2.269 1.00 95.17 7 A 1 ATOM 56 C CG2 . VAL A 1 7 ? 1.367 -7.472 -1.837 1.00 95.26 7 A 1 ATOM 57 N N . THR A 1 8 ? -1.049 -5.293 1.284 1.00 97.65 8 A 1 ATOM 58 C CA . THR A 1 8 ? -2.141 -4.544 1.906 1.00 97.41 8 A 1 ATOM 59 C C . THR A 1 8 ? -1.608 -3.293 2.600 1.00 97.62 8 A 1 ATOM 60 O O . THR A 1 8 ? -2.174 -2.204 2.466 1.00 97.54 8 A 1 ATOM 61 C CB . THR A 1 8 ? -2.877 -5.417 2.927 1.00 96.81 8 A 1 ATOM 62 O OG1 . THR A 1 8 ? -3.350 -6.595 2.280 1.00 93.00 8 A 1 ATOM 63 C CG2 . THR A 1 8 ? -4.057 -4.669 3.531 1.00 91.93 8 A 1 ATOM 64 N N . ALA A 1 9 ? -0.525 -3.448 3.346 1.00 97.76 9 A 1 ATOM 65 C CA . ALA A 1 9 ? 0.092 -2.331 4.053 1.00 97.76 9 A 1 ATOM 66 C C . ALA A 1 9 ? 0.602 -1.275 3.070 1.00 97.98 9 A 1 ATOM 67 O O . ALA A 1 9 ? 0.444 -0.076 3.303 1.00 97.61 9 A 1 ATOM 68 C CB . ALA A 1 9 ? 1.236 -2.842 4.920 1.00 97.50 9 A 1 ATOM 69 N N . LEU A 1 10 ? 1.189 -1.725 1.973 1.00 97.52 10 A 1 ATOM 70 C CA . LEU A 1 10 ? 1.721 -0.823 0.954 1.00 97.50 10 A 1 ATOM 71 C C . LEU A 1 10 ? 0.607 0.001 0.318 1.00 97.86 10 A 1 ATOM 72 O O . LEU A 1 10 ? 0.725 1.221 0.186 1.00 97.77 10 A 1 ATOM 73 C CB . LEU A 1 10 ? 2.454 -1.634 -0.116 1.00 97.12 10 A 1 ATOM 74 C CG . LEU A 1 10 ? 3.108 -0.774 -1.200 1.00 93.15 10 A 1 ATOM 75 C CD1 . LEU A 1 10 ? 4.234 0.063 -0.618 1.00 91.40 10 A 1 ATOM 76 C CD2 . LEU A 1 10 ? 3.647 -1.658 -2.319 1.00 91.52 10 A 1 ATOM 77 N N . VAL A 1 11 ? -0.468 -0.658 -0.074 1.00 97.60 11 A 1 ATOM 78 C CA . VAL A 1 11 ? -1.607 0.016 -0.699 1.00 97.73 11 A 1 ATOM 79 C C . VAL A 1 11 ? -2.207 1.046 0.252 1.00 97.96 11 A 1 ATOM 80 O O . VAL A 1 11 ? -2.510 2.176 -0.146 1.00 97.92 11 A 1 ATOM 81 C CB . VAL A 1 11 ? -2.677 -1.007 -1.118 1.00 97.40 11 A 1 ATOM 82 C CG1 . VAL A 1 11 ? -3.932 -0.311 -1.628 1.00 95.59 11 A 1 ATOM 83 C CG2 . VAL A 1 11 ? -2.125 -1.921 -2.206 1.00 95.94 11 A 1 ATOM 84 N N . SER A 1 12 ? -2.371 0.660 1.510 1.00 98.20 12 A 1 ATOM 85 C CA . SER A 1 12 ? -2.924 1.557 2.525 1.00 98.11 12 A 1 ATOM 86 C C . SER A 1 12 ? -2.030 2.780 2.716 1.00 98.35 12 A 1 ATOM 87 O O . SER A 1 12 ? -2.516 3.911 2.782 1.00 98.21 12 A 1 ATOM 88 C CB . SER A 1 12 ? -3.078 0.821 3.852 1.00 97.60 12 A 1 ATOM 89 O OG . SER A 1 12 ? -3.644 1.678 4.818 1.00 89.54 12 A 1 ATOM 90 N N . ALA A 1 13 ? -0.726 2.559 2.798 1.00 98.41 13 A 1 ATOM 91 C CA . ALA A 1 13 ? 0.231 3.646 2.986 1.00 98.47 13 A 1 ATOM 92 C C . ALA A 1 13 ? 0.206 4.611 1.802 1.00 98.66 13 A 1 ATOM 93 O O . ALA A 1 13 ? 0.216 5.830 1.992 1.00 98.48 13 A 1 ATOM 94 C CB . ALA A 1 13 ? 1.629 3.074 3.176 1.00 98.19 13 A 1 ATOM 95 N N . VAL A 1 14 ? 0.157 4.081 0.587 1.00 98.59 14 A 1 ATOM 96 C CA . VAL A 1 14 ? 0.125 4.905 -0.621 1.00 98.60 14 A 1 ATOM 97 C C . VAL A 1 14 ? -1.145 5.745 -0.666 1.00 98.74 14 A 1 ATOM 98 O O . VAL A 1 14 ? -1.097 6.941 -0.975 1.00 98.64 14 A 1 ATOM 99 C CB . VAL A 1 14 ? 0.224 4.030 -1.878 1.00 98.29 14 A 1 ATOM 100 C CG1 . VAL A 1 14 ? 0.013 4.858 -3.139 1.00 96.77 14 A 1 ATOM 101 C CG2 . VAL A 1 14 ? 1.580 3.349 -1.934 1.00 96.94 14 A 1 ATOM 102 N N . ALA A 1 15 ? -2.275 5.134 -0.351 1.00 98.70 15 A 1 ATOM 103 C CA . ALA A 1 15 ? -3.554 5.837 -0.354 1.00 98.65 15 A 1 ATOM 104 C C . ALA A 1 15 ? -3.550 6.990 0.646 1.00 98.78 15 A 1 ATOM 105 O O . ALA A 1 15 ? -3.958 8.106 0.319 1.00 98.65 15 A 1 ATOM 106 C CB . ALA A 1 15 ? -4.678 4.862 -0.024 1.00 98.43 15 A 1 ATOM 107 N N . LEU A 1 16 ? -3.084 6.724 1.854 1.00 98.78 16 A 1 ATOM 108 C CA . LEU A 1 16 ? -3.028 7.747 2.894 1.00 98.72 16 A 1 ATOM 109 C C . LEU A 1 16 ? -2.053 8.854 2.518 1.00 98.82 16 A 1 ATOM 110 O O . LEU A 1 16 ? -2.356 10.038 2.685 1.00 98.73 16 A 1 ATOM 111 C CB . LEU A 1 16 ? -2.612 7.111 4.220 1.00 98.44 16 A 1 ATOM 112 C CG . LEU A 1 16 ? -3.675 6.189 4.817 1.00 94.57 16 A 1 ATOM 113 C CD1 . LEU A 1 16 ? -3.097 5.432 6.000 1.00 93.67 16 A 1 ATOM 114 C CD2 . LEU A 1 16 ? -4.902 6.985 5.246 1.00 93.83 16 A 1 ATOM 115 N N . ALA A 1 17 ? -0.896 8.488 2.009 1.00 98.82 17 A 1 ATOM 116 C CA . ALA A 1 17 ? 0.116 9.459 1.608 1.00 98.81 17 A 1 ATOM 117 C C . ALA A 1 17 ? -0.403 10.370 0.499 1.00 98.87 17 A 1 ATOM 118 O O . ALA A 1 17 ? -0.174 11.580 0.525 1.00 98.75 17 A 1 ATOM 119 C CB . ALA A 1 17 ? 1.372 8.734 1.151 1.00 98.63 17 A 1 ATOM 120 N N . THR A 1 18 ? -1.119 9.802 -0.461 1.00 98.84 18 A 1 ATOM 121 C CA . THR A 1 18 ? -1.674 10.572 -1.574 1.00 98.81 18 A 1 ATOM 122 C C . THR A 1 18 ? -2.692 11.591 -1.077 1.00 98.85 18 A 1 ATOM 123 O O . THR A 1 18 ? -2.677 12.751 -1.492 1.00 98.71 18 A 1 ATOM 124 C CB . THR A 1 18 ? -2.349 9.642 -2.586 1.00 98.63 18 A 1 ATOM 125 O OG1 . THR A 1 18 ? -1.403 8.705 -3.082 1.00 96.24 18 A 1 ATOM 126 C CG2 . THR A 1 18 ? -2.907 10.441 -3.761 1.00 94.72 18 A 1 ATOM 127 N N . LEU A 1 19 ? -3.569 11.164 -0.176 1.00 98.83 19 A 1 ATOM 128 C CA . LEU A 1 19 ? -4.590 12.050 0.377 1.00 98.76 19 A 1 ATOM 129 C C . LEU A 1 19 ? -3.961 13.170 1.196 1.00 98.77 19 A 1 ATOM 130 O O . LEU A 1 19 ? -4.372 14.327 1.094 1.00 98.53 19 A 1 ATOM 131 C CB . LEU A 1 19 ? -5.555 11.248 1.250 1.00 98.63 19 A 1 ATOM 132 C CG . LEU A 1 19 ? -6.440 10.280 0.458 1.00 97.21 19 A 1 ATOM 133 C CD1 . LEU A 1 19 ? -7.204 9.372 1.411 1.00 95.41 19 A 1 ATOM 134 C CD2 . LEU A 1 19 ? -7.420 11.041 -0.427 1.00 95.07 19 A 1 ATOM 135 N N . LEU A 1 20 ? -2.977 12.830 2.017 1.00 98.79 20 A 1 ATOM 136 C CA . LEU A 1 20 ? -2.304 13.816 2.861 1.00 98.68 20 A 1 ATOM 137 C C . LEU A 1 20 ? -1.477 14.787 2.029 1.00 98.70 20 A 1 ATOM 138 O O . LEU A 1 20 ? -1.480 15.992 2.290 1.00 98.50 20 A 1 ATOM 139 C CB . LEU A 1 20 ? -1.412 13.101 3.876 1.00 98.50 20 A 1 ATOM 140 C CG . LEU A 1 20 ? -2.198 12.324 4.935 1.00 97.21 20 A 1 ATOM 141 C CD1 . LEU A 1 20 ? -1.242 11.470 5.760 1.00 94.95 20 A 1 ATOM 142 C CD2 . LEU A 1 20 ? -2.977 13.263 5.842 1.00 94.44 20 A 1 ATOM 143 N N . SER A 1 21 ? -0.786 14.278 1.027 1.00 98.60 21 A 1 ATOM 144 C CA . SER A 1 21 ? 0.055 15.104 0.159 1.00 98.29 21 A 1 ATOM 145 C C . SER A 1 21 ? -0.789 16.032 -0.699 1.00 97.95 21 A 1 ATOM 146 O O . SER A 1 21 ? -0.483 17.221 -0.827 1.00 95.05 21 A 1 ATOM 147 C CB . SER A 1 21 ? 0.918 14.224 -0.734 1.00 97.39 21 A 1 ATOM 148 O OG . SER A 1 21 ? 1.739 15.035 -1.550 1.00 90.08 21 A 1 ATOM 149 N N . GLY A 1 22 ? -1.870 15.475 -1.259 1.00 96.21 22 A 1 ATOM 150 C CA . GLY A 1 22 ? -2.763 16.245 -2.126 1.00 92.72 22 A 1 ATOM 151 C C . GLY A 1 22 ? -2.098 16.577 -3.450 1.00 89.02 22 A 1 ATOM 152 O O . GLY A 1 22 ? -2.225 17.719 -3.913 1.00 83.15 22 A 1 ATOM 153 O OXT . GLY A 1 22 ? -1.488 15.673 -4.053 1.00 88.89 22 A 1 #