# 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_spkb14204 # _entry.id spkb14204 # 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" "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" "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" "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 VAL 2 1 n MET 3 1 n GLY 4 1 n LEU 5 1 n GLY 6 1 n VAL 7 1 n LEU 8 1 n LEU 9 1 n LEU 10 1 n VAL 11 1 n PHE 12 1 n MET 13 1 n LEU 14 1 n GLY 15 1 n LEU 16 1 n GLY 17 1 n LEU 18 1 n THR 19 1 n PRO 20 1 n PRO 21 1 n THR 22 1 n LEU 23 1 n ALA 24 # _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 @ 2025-07-10 20:55:37)" _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 84.11 _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 74.22 1 1 A VAL 2 2 83.90 1 2 A MET 3 2 82.92 1 3 A GLY 4 2 91.84 1 4 A LEU 5 2 89.83 1 5 A GLY 6 2 92.64 1 6 A VAL 7 2 91.73 1 7 A LEU 8 2 90.05 1 8 A LEU 9 2 87.71 1 9 A LEU 10 2 86.96 1 10 A VAL 11 2 89.40 1 11 A PHE 12 2 85.61 1 12 A MET 13 2 82.36 1 13 A LEU 14 2 86.83 1 14 A GLY 15 2 90.40 1 15 A LEU 16 2 85.67 1 16 A GLY 17 2 89.50 1 17 A LEU 18 2 80.89 1 18 A THR 19 2 80.01 1 19 A PRO 20 2 84.27 1 20 A PRO 21 2 82.40 1 21 A THR 22 2 73.63 1 22 A LEU 23 2 74.09 1 23 A ALA 24 2 71.51 1 24 # _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 MET . 3 A 3 A 4 1 n GLY . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n GLY . 6 A 6 A 7 1 n VAL . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n VAL . 11 A 11 A 12 1 n PHE . 12 A 12 A 13 1 n MET . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n GLY . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n GLY . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n THR . 19 A 19 A 20 1 n PRO . 20 A 20 A 21 1 n PRO . 21 A 21 A 22 1 n THR . 22 A 22 A 23 1 n LEU . 23 A 23 A 24 1 n ALA . 24 A 24 # _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 ? 0.113 -16.006 -0.080 1.00 80.68 1 A 1 ATOM 2 C CA . MET A 1 1 ? -0.206 -15.230 1.138 1.00 82.50 1 A 1 ATOM 3 C C . MET A 1 1 ? -1.706 -15.197 1.385 1.00 83.12 1 A 1 ATOM 4 O O . MET A 1 1 ? -2.492 -15.329 0.456 1.00 78.10 1 A 1 ATOM 5 C CB . MET A 1 1 ? 0.309 -13.796 1.004 1.00 74.42 1 A 1 ATOM 6 C CG . MET A 1 1 ? 1.787 -13.678 1.326 1.00 69.56 1 A 1 ATOM 7 S SD . MET A 1 1 ? 2.364 -11.982 1.221 1.00 65.98 1 A 1 ATOM 8 C CE . MET A 1 1 ? 3.085 -11.794 2.850 1.00 59.39 1 A 1 ATOM 9 N N . VAL A 1 2 ? -2.088 -15.021 2.639 1.00 84.23 2 A 1 ATOM 10 C CA . VAL A 1 2 ? -3.503 -14.965 3.001 1.00 88.88 2 A 1 ATOM 11 C C . VAL A 1 2 ? -4.172 -13.771 2.325 1.00 90.18 2 A 1 ATOM 12 O O . VAL A 1 2 ? -3.540 -12.742 2.097 1.00 87.87 2 A 1 ATOM 13 C CB . VAL A 1 2 ? -3.670 -14.842 4.524 1.00 83.71 2 A 1 ATOM 14 C CG1 . VAL A 1 2 ? -3.442 -16.181 5.197 1.00 74.78 2 A 1 ATOM 15 C CG2 . VAL A 1 2 ? -2.713 -13.804 5.086 1.00 77.66 2 A 1 ATOM 16 N N . MET A 1 3 ? -5.447 -13.935 2.019 1.00 89.07 3 A 1 ATOM 17 C CA . MET A 1 3 ? -6.204 -12.864 1.357 1.00 89.71 3 A 1 ATOM 18 C C . MET A 1 3 ? -6.269 -11.615 2.237 1.00 90.96 3 A 1 ATOM 19 O O . MET A 1 3 ? -6.136 -10.498 1.751 1.00 88.23 3 A 1 ATOM 20 C CB . MET A 1 3 ? -7.611 -13.358 1.044 1.00 85.48 3 A 1 ATOM 21 C CG . MET A 1 3 ? -7.605 -14.463 -0.002 1.00 80.46 3 A 1 ATOM 22 S SD . MET A 1 3 ? -7.211 -13.871 -1.646 1.00 74.32 3 A 1 ATOM 23 C CE . MET A 1 3 ? -8.849 -13.455 -2.231 1.00 65.13 3 A 1 ATOM 24 N N . GLY A 1 4 ? -6.463 -11.828 3.524 1.00 90.69 4 A 1 ATOM 25 C CA . GLY A 1 4 ? -6.530 -10.706 4.462 1.00 91.83 4 A 1 ATOM 26 C C . GLY A 1 4 ? -5.250 -9.898 4.487 1.00 93.09 4 A 1 ATOM 27 O O . GLY A 1 4 ? -5.268 -8.681 4.326 1.00 91.76 4 A 1 ATOM 28 N N . LEU A 1 5 ? -4.135 -10.589 4.686 1.00 93.25 5 A 1 ATOM 29 C CA . LEU A 1 5 ? -2.837 -9.923 4.721 1.00 93.70 5 A 1 ATOM 30 C C . LEU A 1 5 ? -2.498 -9.327 3.364 1.00 94.01 5 A 1 ATOM 31 O O . LEU A 1 5 ? -1.934 -8.239 3.273 1.00 92.15 5 A 1 ATOM 32 C CB . LEU A 1 5 ? -1.753 -10.920 5.144 1.00 92.63 5 A 1 ATOM 33 C CG . LEU A 1 5 ? -0.990 -10.495 6.399 1.00 87.53 5 A 1 ATOM 34 C CD1 . LEU A 1 5 ? 0.031 -11.557 6.779 1.00 83.65 5 A 1 ATOM 35 C CD2 . LEU A 1 5 ? -0.299 -9.160 6.171 1.00 81.70 5 A 1 ATOM 36 N N . GLY A 1 6 ? -2.841 -10.051 2.310 1.00 92.78 6 A 1 ATOM 37 C CA . GLY A 1 6 ? -2.578 -9.576 0.952 1.00 92.50 6 A 1 ATOM 38 C C . GLY A 1 6 ? -3.279 -8.261 0.676 1.00 93.17 6 A 1 ATOM 39 O O . GLY A 1 6 ? -2.680 -7.326 0.150 1.00 92.10 6 A 1 ATOM 40 N N . VAL A 1 7 ? -4.540 -8.187 1.037 1.00 93.53 7 A 1 ATOM 41 C CA . VAL A 1 7 ? -5.324 -6.964 0.838 1.00 93.61 7 A 1 ATOM 42 C C . VAL A 1 7 ? -4.762 -5.833 1.684 1.00 93.33 7 A 1 ATOM 43 O O . VAL A 1 7 ? -4.644 -4.699 1.222 1.00 91.62 7 A 1 ATOM 44 C CB . VAL A 1 7 ? -6.795 -7.201 1.203 1.00 92.49 7 A 1 ATOM 45 C CG1 . VAL A 1 7 ? -7.591 -5.908 1.078 1.00 88.86 7 A 1 ATOM 46 C CG2 . VAL A 1 7 ? -7.389 -8.264 0.293 1.00 88.66 7 A 1 ATOM 47 N N . LEU A 1 8 ? -4.410 -6.156 2.915 1.00 93.89 8 A 1 ATOM 48 C CA . LEU A 1 8 ? -3.849 -5.156 3.823 1.00 93.06 8 A 1 ATOM 49 C C . LEU A 1 8 ? -2.557 -4.586 3.253 1.00 92.59 8 A 1 ATOM 50 O O . LEU A 1 8 ? -2.334 -3.378 3.276 1.00 91.31 8 A 1 ATOM 51 C CB . LEU A 1 8 ? -3.571 -5.780 5.190 1.00 92.53 8 A 1 ATOM 52 C CG . LEU A 1 8 ? -3.447 -4.742 6.306 1.00 87.41 8 A 1 ATOM 53 C CD1 . LEU A 1 8 ? -4.643 -4.831 7.243 1.00 84.76 8 A 1 ATOM 54 C CD2 . LEU A 1 8 ? -2.159 -4.943 7.079 1.00 84.83 8 A 1 ATOM 55 N N . LEU A 1 9 ? -1.715 -5.478 2.744 1.00 92.49 9 A 1 ATOM 56 C CA . LEU A 1 9 ? -0.440 -5.067 2.160 1.00 91.25 9 A 1 ATOM 57 C C . LEU A 1 9 ? -0.670 -4.197 0.932 1.00 91.42 9 A 1 ATOM 58 O O . LEU A 1 9 ? 0.029 -3.208 0.713 1.00 90.42 9 A 1 ATOM 59 C CB . LEU A 1 9 ? 0.376 -6.304 1.785 1.00 90.26 9 A 1 ATOM 60 C CG . LEU A 1 9 ? 1.774 -6.323 2.410 1.00 83.63 9 A 1 ATOM 61 C CD1 . LEU A 1 9 ? 2.462 -7.647 2.111 1.00 81.31 9 A 1 ATOM 62 C CD2 . LEU A 1 9 ? 2.609 -5.168 1.878 1.00 80.90 9 A 1 ATOM 63 N N . LEU A 1 10 ? -1.661 -4.573 0.143 1.00 90.17 10 A 1 ATOM 64 C CA . LEU A 1 10 ? -1.999 -3.817 -1.065 1.00 89.85 10 A 1 ATOM 65 C C . LEU A 1 10 ? -2.399 -2.393 -0.705 1.00 90.42 10 A 1 ATOM 66 O O . LEU A 1 10 ? -1.930 -1.426 -1.308 1.00 89.58 10 A 1 ATOM 67 C CB . LEU A 1 10 ? -3.146 -4.514 -1.800 1.00 89.22 10 A 1 ATOM 68 C CG . LEU A 1 10 ? -2.802 -4.870 -3.249 1.00 83.90 10 A 1 ATOM 69 C CD1 . LEU A 1 10 ? -3.794 -5.888 -3.789 1.00 81.47 10 A 1 ATOM 70 C CD2 . LEU A 1 10 ? -2.814 -3.619 -4.111 1.00 81.10 10 A 1 ATOM 71 N N . VAL A 1 11 ? -3.263 -2.272 0.284 1.00 90.42 11 A 1 ATOM 72 C CA . VAL A 1 11 ? -3.712 -0.953 0.741 1.00 90.16 11 A 1 ATOM 73 C C . VAL A 1 11 ? -2.538 -0.175 1.318 1.00 90.23 11 A 1 ATOM 74 O O . VAL A 1 11 ? -2.400 1.027 1.095 1.00 89.25 11 A 1 ATOM 75 C CB . VAL A 1 11 ? -4.816 -1.096 1.801 1.00 89.89 11 A 1 ATOM 76 C CG1 . VAL A 1 11 ? -5.252 0.272 2.312 1.00 88.12 11 A 1 ATOM 77 C CG2 . VAL A 1 11 ? -6.015 -1.831 1.215 1.00 87.75 11 A 1 ATOM 78 N N . PHE A 1 12 ? -1.693 -0.876 2.059 1.00 89.13 12 A 1 ATOM 79 C CA . PHE A 1 12 ? -0.520 -0.250 2.666 1.00 88.20 12 A 1 ATOM 80 C C . PHE A 1 12 ? 0.411 0.283 1.584 1.00 88.97 12 A 1 ATOM 81 O O . PHE A 1 12 ? 0.963 1.373 1.711 1.00 88.00 12 A 1 ATOM 82 C CB . PHE A 1 12 ? 0.212 -1.276 3.526 1.00 88.20 12 A 1 ATOM 83 C CG . PHE A 1 12 ? 1.206 -0.625 4.454 1.00 86.64 12 A 1 ATOM 84 C CD1 . PHE A 1 12 ? 2.524 -0.446 4.062 1.00 82.98 12 A 1 ATOM 85 C CD2 . PHE A 1 12 ? 0.804 -0.192 5.713 1.00 82.99 12 A 1 ATOM 86 C CE1 . PHE A 1 12 ? 3.440 0.161 4.915 1.00 82.06 12 A 1 ATOM 87 C CE2 . PHE A 1 12 ? 1.718 0.417 6.565 1.00 81.96 12 A 1 ATOM 88 C CZ . PHE A 1 12 ? 3.037 0.596 6.169 1.00 82.56 12 A 1 ATOM 89 N N . MET A 1 13 ? 0.564 -0.495 0.523 1.00 87.70 13 A 1 ATOM 90 C CA . MET A 1 13 ? 1.416 -0.080 -0.595 1.00 86.75 13 A 1 ATOM 91 C C . MET A 1 13 ? 0.876 1.186 -1.253 1.00 87.45 13 A 1 ATOM 92 O O . MET A 1 13 ? 1.630 2.087 -1.605 1.00 85.61 13 A 1 ATOM 93 C CB . MET A 1 13 ? 1.486 -1.205 -1.622 1.00 84.77 13 A 1 ATOM 94 C CG . MET A 1 13 ? 2.454 -2.298 -1.186 1.00 82.36 13 A 1 ATOM 95 S SD . MET A 1 13 ? 4.145 -1.823 -1.451 1.00 75.62 13 A 1 ATOM 96 C CE . MET A 1 13 ? 4.955 -3.416 -1.325 1.00 68.63 13 A 1 ATOM 97 N N . LEU A 1 14 ? -0.431 1.244 -1.410 1.00 88.78 14 A 1 ATOM 98 C CA . LEU A 1 14 ? -1.070 2.409 -2.018 1.00 89.49 14 A 1 ATOM 99 C C . LEU A 1 14 ? -0.956 3.629 -1.118 1.00 90.82 14 A 1 ATOM 100 O O . LEU A 1 14 ? -0.771 4.750 -1.599 1.00 89.01 14 A 1 ATOM 101 C CB . LEU A 1 14 ? -2.542 2.100 -2.286 1.00 88.50 14 A 1 ATOM 102 C CG . LEU A 1 14 ? -2.757 1.132 -3.447 1.00 85.23 14 A 1 ATOM 103 C CD1 . LEU A 1 14 ? -4.138 0.513 -3.374 1.00 81.80 14 A 1 ATOM 104 C CD2 . LEU A 1 14 ? -2.574 1.861 -4.771 1.00 81.00 14 A 1 ATOM 105 N N . GLY A 1 15 ? -1.074 3.402 0.178 1.00 89.69 15 A 1 ATOM 106 C CA . GLY A 1 15 ? -0.975 4.498 1.142 1.00 90.06 15 A 1 ATOM 107 C C . GLY A 1 15 ? 0.392 4.578 1.788 1.00 91.55 15 A 1 ATOM 108 O O . GLY A 1 15 ? 0.561 5.263 2.789 1.00 90.30 15 A 1 ATOM 109 N N . LEU A 1 16 ? 1.354 3.878 1.220 1.00 89.39 16 A 1 ATOM 110 C CA . LEU A 1 16 ? 2.716 3.859 1.742 1.00 89.40 16 A 1 ATOM 111 C C . LEU A 1 16 ? 3.311 5.261 1.709 1.00 90.00 16 A 1 ATOM 112 O O . LEU A 1 16 ? 3.753 5.793 2.725 1.00 86.96 16 A 1 ATOM 113 C CB . LEU A 1 16 ? 3.580 2.899 0.914 1.00 87.01 16 A 1 ATOM 114 C CG . LEU A 1 16 ? 4.712 2.239 1.697 1.00 84.25 16 A 1 ATOM 115 C CD1 . LEU A 1 16 ? 5.365 1.160 0.852 1.00 80.42 16 A 1 ATOM 116 C CD2 . LEU A 1 16 ? 5.754 3.258 2.120 1.00 77.97 16 A 1 ATOM 117 N N . GLY A 1 17 ? 3.324 5.859 0.530 1.00 89.50 17 A 1 ATOM 118 C CA . GLY A 1 17 ? 3.871 7.199 0.375 1.00 89.76 17 A 1 ATOM 119 C C . GLY A 1 17 ? 3.899 7.616 -1.077 1.00 90.57 17 A 1 ATOM 120 O O . GLY A 1 17 ? 4.030 8.794 -1.389 1.00 88.17 17 A 1 ATOM 121 N N . LEU A 1 18 ? 3.762 6.637 -1.967 1.00 86.21 18 A 1 ATOM 122 C CA . LEU A 1 18 ? 3.754 6.908 -3.401 1.00 86.10 18 A 1 ATOM 123 C C . LEU A 1 18 ? 2.524 7.708 -3.791 1.00 87.03 18 A 1 ATOM 124 O O . LEU A 1 18 ? 2.565 8.521 -4.712 1.00 83.66 18 A 1 ATOM 125 C CB . LEU A 1 18 ? 3.775 5.588 -4.165 1.00 82.79 18 A 1 ATOM 126 C CG . LEU A 1 18 ? 4.986 4.726 -3.845 1.00 77.07 18 A 1 ATOM 127 C CD1 . LEU A 1 18 ? 4.697 3.272 -4.148 1.00 73.83 18 A 1 ATOM 128 C CD2 . LEU A 1 18 ? 6.182 5.207 -4.660 1.00 70.42 18 A 1 ATOM 129 N N . THR A 1 19 ? 1.428 7.469 -3.083 1.00 84.16 19 A 1 ATOM 130 C CA . THR A 1 19 ? 0.178 8.172 -3.369 1.00 83.45 19 A 1 ATOM 131 C C . THR A 1 19 ? -0.519 8.567 -2.075 1.00 83.38 19 A 1 ATOM 132 O O . THR A 1 19 ? -1.356 7.823 -1.564 1.00 82.02 19 A 1 ATOM 133 C CB . THR A 1 19 ? -0.756 7.283 -4.191 1.00 80.29 19 A 1 ATOM 134 O OG1 . THR A 1 19 ? -0.027 6.690 -5.258 1.00 74.50 19 A 1 ATOM 135 C CG2 . THR A 1 19 ? -1.898 8.098 -4.764 1.00 72.28 19 A 1 ATOM 136 N N . PRO A 1 20 ? -0.192 9.740 -1.535 1.00 87.04 20 A 1 ATOM 137 C CA . PRO A 1 20 ? -0.798 10.235 -0.295 1.00 86.04 20 A 1 ATOM 138 C C . PRO A 1 20 ? -2.318 10.251 -0.380 1.00 87.16 20 A 1 ATOM 139 O O . PRO A 1 20 ? -2.882 10.402 -1.463 1.00 84.35 20 A 1 ATOM 140 C CB . PRO A 1 20 ? -0.252 11.660 -0.167 1.00 82.80 20 A 1 ATOM 141 C CG . PRO A 1 20 ? 0.994 11.660 -0.971 1.00 80.12 20 A 1 ATOM 142 C CD . PRO A 1 20 ? 0.781 10.661 -2.078 1.00 82.41 20 A 1 ATOM 143 N N . PRO A 1 21 ? -2.985 10.100 0.766 1.00 84.83 21 A 1 ATOM 144 C CA . PRO A 1 21 ? -4.451 10.097 0.805 1.00 84.18 21 A 1 ATOM 145 C C . PRO A 1 21 ? -5.038 11.455 0.456 1.00 85.52 21 A 1 ATOM 146 O O . PRO A 1 21 ? -6.229 11.573 0.157 1.00 81.35 21 A 1 ATOM 147 C CB . PRO A 1 21 ? -4.771 9.720 2.252 1.00 80.89 21 A 1 ATOM 148 C CG . PRO A 1 21 ? -3.557 10.106 3.020 1.00 78.85 21 A 1 ATOM 149 C CD . PRO A 1 21 ? -2.387 9.941 2.079 1.00 81.21 21 A 1 ATOM 150 N N . THR A 1 22 ? -4.200 12.476 0.491 1.00 77.87 22 A 1 ATOM 151 C CA . THR A 1 22 ? -4.651 13.834 0.181 1.00 76.91 22 A 1 ATOM 152 C C . THR A 1 22 ? -3.709 14.496 -0.819 1.00 76.42 22 A 1 ATOM 153 O O . THR A 1 22 ? -2.843 15.287 -0.449 1.00 74.44 22 A 1 ATOM 154 C CB . THR A 1 22 ? -4.714 14.682 1.452 1.00 74.12 22 A 1 ATOM 155 O OG1 . THR A 1 22 ? -5.249 13.907 2.516 1.00 68.18 22 A 1 ATOM 156 C CG2 . THR A 1 22 ? -5.587 15.900 1.239 1.00 67.46 22 A 1 ATOM 157 N N . LEU A 1 23 ? -3.890 14.151 -2.084 1.00 80.05 23 A 1 ATOM 158 C CA . LEU A 1 23 ? -3.055 14.715 -3.142 1.00 78.96 23 A 1 ATOM 159 C C . LEU A 1 23 ? -3.866 14.866 -4.425 1.00 80.49 23 A 1 ATOM 160 O O . LEU A 1 23 ? -4.122 13.892 -5.122 1.00 76.62 23 A 1 ATOM 161 C CB . LEU A 1 23 ? -1.840 13.818 -3.384 1.00 75.36 23 A 1 ATOM 162 C CG . LEU A 1 23 ? -0.533 14.555 -3.652 1.00 70.55 23 A 1 ATOM 163 C CD1 . LEU A 1 23 ? 0.483 13.609 -4.243 1.00 67.21 23 A 1 ATOM 164 C CD2 . LEU A 1 23 ? -0.748 15.743 -4.581 1.00 63.49 23 A 1 ATOM 165 N N . ALA A 1 24 ? -4.240 16.113 -4.719 1.00 77.14 24 A 1 ATOM 166 C CA . ALA A 1 24 ? -5.011 16.381 -5.937 1.00 76.86 24 A 1 ATOM 167 C C . ALA A 1 24 ? -5.051 17.882 -6.220 1.00 73.42 24 A 1 ATOM 168 O O . ALA A 1 24 ? -6.107 18.508 -6.094 1.00 68.98 24 A 1 ATOM 169 C CB . ALA A 1 24 ? -6.414 15.829 -5.790 1.00 69.40 24 A 1 ATOM 170 O OXT . ALA A 1 24 ? -3.988 18.442 -6.589 1.00 63.25 24 A 1 #