# 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_spkb31764 # _entry.id spkb31764 # 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" "C6 H15 N4 O2" 175.209 ARG y ARGININE C(C[C@@H](C(=O)O)N)CNC(=[NH2+])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" "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 ARG 2 1 n ALA 3 1 n LEU 4 1 n LEU 5 1 n SER 6 1 n VAL 7 1 n LEU 8 1 n LEU 9 1 n LEU 10 1 n GLY 11 1 n LEU 12 1 n ILE 13 1 n THR 14 1 n PHE 15 1 n SER 16 1 n THR 17 1 n PRO 18 1 n SER 19 1 n LEU 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 @ 2025-07-12 09:15:36)" _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 86.65 _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 84.15 1 1 A ARG 2 2 80.59 1 2 A ALA 3 2 95.61 1 3 A LEU 4 2 89.94 1 4 A LEU 5 2 90.09 1 5 A SER 6 2 92.71 1 6 A VAL 7 2 94.54 1 7 A LEU 8 2 90.61 1 8 A LEU 9 2 89.24 1 9 A LEU 10 2 89.86 1 10 A GLY 11 2 93.32 1 11 A LEU 12 2 89.68 1 12 A ILE 13 2 89.50 1 13 A THR 14 2 87.28 1 14 A PHE 15 2 85.53 1 15 A SER 16 2 86.52 1 16 A THR 17 2 79.61 1 17 A PRO 18 2 85.60 1 18 A SER 19 2 80.46 1 19 A LEU 20 2 74.60 1 20 A ALA 21 2 77.12 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 ARG . 2 A 2 A 3 1 n ALA . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n SER . 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 GLY . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n ILE . 13 A 13 A 14 1 n THR . 14 A 14 A 15 1 n PHE . 15 A 15 A 16 1 n SER . 16 A 16 A 17 1 n THR . 17 A 17 A 18 1 n PRO . 18 A 18 A 19 1 n SER . 19 A 19 A 20 1 n LEU . 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 ? -16.643 2.867 5.974 1.00 91.24 1 A 1 ATOM 2 C CA . MET A 1 1 ? -15.189 2.848 6.237 1.00 91.69 1 A 1 ATOM 3 C C . MET A 1 1 ? -14.407 2.716 4.934 1.00 92.45 1 A 1 ATOM 4 O O . MET A 1 1 ? -14.291 1.631 4.381 1.00 90.12 1 A 1 ATOM 5 C CB . MET A 1 1 ? -14.856 1.684 7.156 1.00 86.00 1 A 1 ATOM 6 C CG . MET A 1 1 ? -15.044 2.065 8.615 1.00 81.07 1 A 1 ATOM 7 S SD . MET A 1 1 ? -14.312 0.853 9.704 1.00 75.34 1 A 1 ATOM 8 C CE . MET A 1 1 ? -14.126 1.841 11.181 1.00 65.32 1 A 1 ATOM 9 N N . ARG A 1 2 ? -13.896 3.821 4.470 1.00 90.71 2 A 1 ATOM 10 C CA . ARG A 1 2 ? -13.127 3.863 3.220 1.00 92.51 2 A 1 ATOM 11 C C . ARG A 1 2 ? -11.636 4.060 3.488 1.00 93.67 2 A 1 ATOM 12 O O . ARG A 1 2 ? -10.813 3.884 2.596 1.00 90.95 2 A 1 ATOM 13 C CB . ARG A 1 2 ? -13.661 4.994 2.346 1.00 88.89 2 A 1 ATOM 14 C CG . ARG A 1 2 ? -13.260 4.825 0.896 1.00 81.12 2 A 1 ATOM 15 C CD . ARG A 1 2 ? -12.743 6.154 0.368 1.00 79.41 2 A 1 ATOM 16 N NE . ARG A 1 2 ? -12.300 6.045 -1.019 1.00 73.15 2 A 1 ATOM 17 C CZ . ARG A 1 2 ? -11.631 7.004 -1.641 1.00 69.79 2 A 1 ATOM 18 N NH1 . ARG A 1 2 ? -11.302 8.119 -1.009 1.00 63.92 2 A 1 ATOM 19 N NH2 . ARG A 1 2 ? -11.290 6.855 -2.903 1.00 62.36 2 A 1 ATOM 20 N N . ALA A 1 3 ? -11.306 4.422 4.716 1.00 94.99 3 A 1 ATOM 21 C CA . ALA A 1 3 ? -9.909 4.652 5.090 1.00 96.23 3 A 1 ATOM 22 C C . ALA A 1 3 ? -9.087 3.370 4.991 1.00 96.84 3 A 1 ATOM 23 O O . ALA A 1 3 ? -7.888 3.415 4.739 1.00 95.20 3 A 1 ATOM 24 C CB . ALA A 1 3 ? -9.844 5.213 6.504 1.00 94.77 3 A 1 ATOM 25 N N . LEU A 1 4 ? -9.747 2.234 5.187 1.00 94.71 4 A 1 ATOM 26 C CA . LEU A 1 4 ? -9.068 0.940 5.110 1.00 94.27 4 A 1 ATOM 27 C C . LEU A 1 4 ? -8.388 0.763 3.759 1.00 94.97 4 A 1 ATOM 28 O O . LEU A 1 4 ? -7.225 0.376 3.675 1.00 93.82 4 A 1 ATOM 29 C CB . LEU A 1 4 ? -10.077 -0.189 5.348 1.00 93.49 4 A 1 ATOM 30 C CG . LEU A 1 4 ? -9.966 -0.828 6.730 1.00 85.15 4 A 1 ATOM 31 C CD1 . LEU A 1 4 ? -8.626 -1.522 6.887 1.00 81.60 4 A 1 ATOM 32 C CD2 . LEU A 1 4 ? -10.160 0.207 7.820 1.00 81.53 4 A 1 ATOM 33 N N . LEU A 1 5 ? -9.129 1.046 2.701 1.00 95.12 5 A 1 ATOM 34 C CA . LEU A 1 5 ? -8.584 0.920 1.348 1.00 94.51 5 A 1 ATOM 35 C C . LEU A 1 5 ? -7.470 1.936 1.111 1.00 94.97 5 A 1 ATOM 36 O O . LEU A 1 5 ? -6.453 1.626 0.496 1.00 94.09 5 A 1 ATOM 37 C CB . LEU A 1 5 ? -9.706 1.130 0.331 1.00 93.73 5 A 1 ATOM 38 C CG . LEU A 1 5 ? -10.628 -0.074 0.197 1.00 84.59 5 A 1 ATOM 39 C CD1 . LEU A 1 5 ? -11.967 0.337 -0.376 1.00 81.72 5 A 1 ATOM 40 C CD2 . LEU A 1 5 ? -9.972 -1.123 -0.698 1.00 82.01 5 A 1 ATOM 41 N N . SER A 1 6 ? -7.658 3.138 1.599 1.00 95.42 6 A 1 ATOM 42 C CA . SER A 1 6 ? -6.665 4.203 1.440 1.00 95.17 6 A 1 ATOM 43 C C . SER A 1 6 ? -5.378 3.862 2.183 1.00 95.57 6 A 1 ATOM 44 O O . SER A 1 6 ? -4.284 4.031 1.655 1.00 94.54 6 A 1 ATOM 45 C CB . SER A 1 6 ? -7.230 5.518 1.963 1.00 93.83 6 A 1 ATOM 46 O OG . SER A 1 6 ? -8.300 5.951 1.166 1.00 81.76 6 A 1 ATOM 47 N N . VAL A 1 7 ? -5.523 3.380 3.400 1.00 96.37 7 A 1 ATOM 48 C CA . VAL A 1 7 ? -4.362 3.017 4.220 1.00 96.05 7 A 1 ATOM 49 C C . VAL A 1 7 ? -3.603 1.855 3.586 1.00 96.03 7 A 1 ATOM 50 O O . VAL A 1 7 ? -2.371 1.847 3.557 1.00 94.77 7 A 1 ATOM 51 C CB . VAL A 1 7 ? -4.813 2.650 5.640 1.00 95.39 7 A 1 ATOM 52 C CG1 . VAL A 1 7 ? -3.654 2.112 6.459 1.00 91.55 7 A 1 ATOM 53 C CG2 . VAL A 1 7 ? -5.405 3.868 6.335 1.00 91.62 7 A 1 ATOM 54 N N . LEU A 1 8 ? -4.347 0.889 3.090 1.00 95.01 8 A 1 ATOM 55 C CA . LEU A 1 8 ? -3.731 -0.278 2.460 1.00 93.94 8 A 1 ATOM 56 C C . LEU A 1 8 ? -2.949 0.128 1.217 1.00 94.48 8 A 1 ATOM 57 O O . LEU A 1 8 ? -1.802 -0.273 1.036 1.00 93.95 8 A 1 ATOM 58 C CB . LEU A 1 8 ? -4.815 -1.289 2.088 1.00 94.11 8 A 1 ATOM 59 C CG . LEU A 1 8 ? -4.291 -2.721 2.024 1.00 86.25 8 A 1 ATOM 60 C CD1 . LEU A 1 8 ? -4.225 -3.319 3.423 1.00 83.03 8 A 1 ATOM 61 C CD2 . LEU A 1 8 ? -5.180 -3.568 1.138 1.00 84.08 8 A 1 ATOM 62 N N . LEU A 1 9 ? -3.569 0.921 0.378 1.00 93.85 9 A 1 ATOM 63 C CA . LEU A 1 9 ? -2.922 1.386 -0.852 1.00 92.70 9 A 1 ATOM 64 C C . LEU A 1 9 ? -1.696 2.231 -0.532 1.00 93.30 9 A 1 ATOM 65 O O . LEU A 1 9 ? -0.634 2.058 -1.133 1.00 92.66 9 A 1 ATOM 66 C CB . LEU A 1 9 ? -3.928 2.202 -1.670 1.00 91.95 9 A 1 ATOM 67 C CG . LEU A 1 9 ? -4.724 1.350 -2.652 1.00 84.57 9 A 1 ATOM 68 C CD1 . LEU A 1 9 ? -6.100 1.946 -2.891 1.00 82.43 9 A 1 ATOM 69 C CD2 . LEU A 1 9 ? -3.971 1.234 -3.968 1.00 82.48 9 A 1 ATOM 70 N N . LEU A 1 10 ? -1.837 3.133 0.411 1.00 94.13 10 A 1 ATOM 71 C CA . LEU A 1 10 ? -0.730 4.000 0.817 1.00 93.55 10 A 1 ATOM 72 C C . LEU A 1 10 ? 0.411 3.176 1.400 1.00 94.11 10 A 1 ATOM 73 O O . LEU A 1 10 ? 1.579 3.426 1.109 1.00 92.40 10 A 1 ATOM 74 C CB . LEU A 1 10 ? -1.227 5.013 1.847 1.00 92.69 10 A 1 ATOM 75 C CG . LEU A 1 10 ? -0.323 6.233 1.975 1.00 85.38 10 A 1 ATOM 76 C CD1 . LEU A 1 10 ? -0.616 7.229 0.855 1.00 83.53 10 A 1 ATOM 77 C CD2 . LEU A 1 10 ? -0.525 6.893 3.325 1.00 83.08 10 A 1 ATOM 78 N N . GLY A 1 11 ? 0.071 2.201 2.212 1.00 93.61 11 A 1 ATOM 79 C CA . GLY A 1 11 ? 1.077 1.334 2.822 1.00 93.17 11 A 1 ATOM 80 C C . GLY A 1 11 ? 1.862 0.567 1.783 1.00 93.99 11 A 1 ATOM 81 O O . GLY A 1 11 ? 3.078 0.420 1.892 1.00 92.50 11 A 1 ATOM 82 N N . LEU A 1 12 ? 1.172 0.079 0.770 1.00 93.81 12 A 1 ATOM 83 C CA . LEU A 1 12 ? 1.817 -0.674 -0.305 1.00 93.36 12 A 1 ATOM 84 C C . LEU A 1 12 ? 2.837 0.195 -1.034 1.00 93.49 12 A 1 ATOM 85 O O . LEU A 1 12 ? 3.959 -0.234 -1.296 1.00 91.26 12 A 1 ATOM 86 C CB . LEU A 1 12 ? 0.761 -1.173 -1.288 1.00 92.31 12 A 1 ATOM 87 C CG . LEU A 1 12 ? 1.285 -2.256 -2.222 1.00 87.65 12 A 1 ATOM 88 C CD1 . LEU A 1 12 ? 1.259 -3.607 -1.518 1.00 83.50 12 A 1 ATOM 89 C CD2 . LEU A 1 12 ? 0.459 -2.305 -3.489 1.00 82.07 12 A 1 ATOM 90 N N . ILE A 1 13 ? 2.454 1.401 -1.351 1.00 93.06 13 A 1 ATOM 91 C CA . ILE A 1 13 ? 3.342 2.332 -2.046 1.00 91.68 13 A 1 ATOM 92 C C . ILE A 1 13 ? 4.518 2.718 -1.154 1.00 91.30 13 A 1 ATOM 93 O O . ILE A 1 13 ? 5.658 2.810 -1.614 1.00 88.95 13 A 1 ATOM 94 C CB . ILE A 1 13 ? 2.565 3.587 -2.476 1.00 91.12 13 A 1 ATOM 95 C CG1 . ILE A 1 13 ? 1.460 3.222 -3.470 1.00 88.84 13 A 1 ATOM 96 C CG2 . ILE A 1 13 ? 3.522 4.600 -3.119 1.00 87.99 13 A 1 ATOM 97 C CD1 . ILE A 1 13 ? 0.327 4.230 -3.467 1.00 83.08 13 A 1 ATOM 98 N N . THR A 1 14 ? 4.243 2.935 0.110 1.00 92.26 14 A 1 ATOM 99 C CA . THR A 1 14 ? 5.285 3.315 1.070 1.00 90.83 14 A 1 ATOM 100 C C . THR A 1 14 ? 6.311 2.197 1.223 1.00 90.49 14 A 1 ATOM 101 O O . THR A 1 14 ? 7.514 2.453 1.305 1.00 87.93 14 A 1 ATOM 102 C CB . THR A 1 14 ? 4.651 3.615 2.427 1.00 89.18 14 A 1 ATOM 103 O OG1 . THR A 1 14 ? 3.637 4.596 2.262 1.00 81.83 14 A 1 ATOM 104 C CG2 . THR A 1 14 ? 5.688 4.159 3.400 1.00 78.46 14 A 1 ATOM 105 N N . PHE A 1 15 ? 5.830 0.971 1.252 1.00 91.06 15 A 1 ATOM 106 C CA . PHE A 1 15 ? 6.713 -0.182 1.383 1.00 89.71 15 A 1 ATOM 107 C C . PHE A 1 15 ? 7.588 -0.341 0.147 1.00 90.55 15 A 1 ATOM 108 O O . PHE A 1 15 ? 8.696 -0.877 0.226 1.00 87.54 15 A 1 ATOM 109 C CB . PHE A 1 15 ? 5.877 -1.439 1.585 1.00 87.92 15 A 1 ATOM 110 C CG . PHE A 1 15 ? 6.696 -2.590 2.099 1.00 84.58 15 A 1 ATOM 111 C CD1 . PHE A 1 15 ? 7.093 -2.629 3.425 1.00 82.50 15 A 1 ATOM 112 C CD2 . PHE A 1 15 ? 7.066 -3.619 1.252 1.00 82.35 15 A 1 ATOM 113 C CE1 . PHE A 1 15 ? 7.850 -3.681 3.907 1.00 81.80 15 A 1 ATOM 114 C CE2 . PHE A 1 15 ? 7.830 -4.680 1.724 1.00 81.43 15 A 1 ATOM 115 C CZ . PHE A 1 15 ? 8.221 -4.710 3.054 1.00 81.36 15 A 1 ATOM 116 N N . SER A 1 16 ? 7.103 0.119 -0.981 1.00 91.01 16 A 1 ATOM 117 C CA . SER A 1 16 ? 7.837 0.036 -2.241 1.00 90.25 16 A 1 ATOM 118 C C . SER A 1 16 ? 8.902 1.128 -2.318 1.00 89.93 16 A 1 ATOM 119 O O . SER A 1 16 ? 8.843 2.024 -3.160 1.00 84.93 16 A 1 ATOM 120 C CB . SER A 1 16 ? 6.875 0.159 -3.414 1.00 87.24 16 A 1 ATOM 121 O OG . SER A 1 16 ? 7.489 -0.267 -4.601 1.00 75.75 16 A 1 ATOM 122 N N . THR A 1 17 ? 9.895 1.036 -1.428 1.00 85.65 17 A 1 ATOM 123 C CA . THR A 1 17 ? 10.979 2.023 -1.390 1.00 84.37 17 A 1 ATOM 124 C C . THR A 1 17 ? 12.332 1.322 -1.277 1.00 84.23 17 A 1 ATOM 125 O O . THR A 1 17 ? 12.464 0.348 -0.543 1.00 81.03 17 A 1 ATOM 126 C CB . THR A 1 17 ? 10.798 2.974 -0.205 1.00 80.07 17 A 1 ATOM 127 O OG1 . THR A 1 17 ? 10.661 2.226 0.990 1.00 71.64 17 A 1 ATOM 128 C CG2 . THR A 1 17 ? 9.580 3.851 -0.391 1.00 70.27 17 A 1 ATOM 129 N N . PRO A 1 18 ? 13.342 1.817 -1.994 1.00 88.40 18 A 1 ATOM 130 C CA . PRO A 1 18 ? 14.684 1.225 -1.948 1.00 88.07 18 A 1 ATOM 131 C C . PRO A 1 18 ? 15.364 1.441 -0.608 1.00 88.64 18 A 1 ATOM 132 O O . PRO A 1 18 ? 15.933 0.518 -0.028 1.00 83.34 18 A 1 ATOM 133 C CB . PRO A 1 18 ? 15.431 1.952 -3.067 1.00 84.06 18 A 1 ATOM 134 C CG . PRO A 1 18 ? 14.702 3.236 -3.249 1.00 81.83 18 A 1 ATOM 135 C CD . PRO A 1 18 ? 13.257 2.981 -2.872 1.00 84.83 18 A 1 ATOM 136 N N . SER A 1 19 ? 15.324 2.662 -0.120 1.00 84.57 19 A 1 ATOM 137 C CA . SER A 1 19 ? 15.954 3.001 1.155 1.00 84.00 19 A 1 ATOM 138 C C . SER A 1 19 ? 15.208 4.138 1.831 1.00 83.93 19 A 1 ATOM 139 O O . SER A 1 19 ? 14.931 5.158 1.208 1.00 79.34 19 A 1 ATOM 140 C CB . SER A 1 19 ? 17.405 3.402 0.931 1.00 80.35 19 A 1 ATOM 141 O OG . SER A 1 19 ? 18.080 3.516 2.168 1.00 70.54 19 A 1 ATOM 142 N N . LEU A 1 20 ? 14.878 3.935 3.103 1.00 82.09 20 A 1 ATOM 143 C CA . LEU A 1 20 ? 14.174 4.962 3.868 1.00 80.09 20 A 1 ATOM 144 C C . LEU A 1 20 ? 15.154 5.944 4.493 1.00 81.76 20 A 1 ATOM 145 O O . LEU A 1 20 ? 14.906 7.149 4.523 1.00 77.29 20 A 1 ATOM 146 C CB . LEU A 1 20 ? 13.333 4.305 4.963 1.00 75.91 20 A 1 ATOM 147 C CG . LEU A 1 20 ? 12.291 5.237 5.563 1.00 70.94 20 A 1 ATOM 148 C CD1 . LEU A 1 20 ? 11.144 5.451 4.581 1.00 66.50 20 A 1 ATOM 149 C CD2 . LEU A 1 20 ? 11.762 4.650 6.866 1.00 62.24 20 A 1 ATOM 150 N N . ALA A 1 21 ? 16.268 5.429 5.004 1.00 82.94 21 A 1 ATOM 151 C CA . ALA A 1 21 ? 17.293 6.261 5.640 1.00 82.06 21 A 1 ATOM 152 C C . ALA A 1 21 ? 18.062 7.056 4.587 1.00 79.19 21 A 1 ATOM 153 O O . ALA A 1 21 ? 18.007 8.293 4.612 1.00 74.64 21 A 1 ATOM 154 C CB . ALA A 1 21 ? 18.236 5.389 6.459 1.00 75.54 21 A 1 ATOM 155 O OXT . ALA A 1 21 ? 18.726 6.412 3.749 1.00 68.33 21 A 1 #