# 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_spkb43429 # _entry.id spkb43429 # 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" "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" "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 PHE 2 1 n ASN 3 1 n LYS 4 1 n THR 5 1 n LEU 6 1 n LEU 7 1 n GLY 8 1 n LEU 9 1 n THR 10 1 n VAL 11 1 n GLY 12 1 n ALA 13 1 n LEU 14 1 n MET 15 1 n PHE 16 1 n THR 17 1 n ALA 18 1 n GLY 19 1 n SER 20 1 n ALA 21 1 n VAL 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 @ 2025-07-04 16:40:47)" _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 91.57 _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 77.30 1 1 A PHE 2 2 81.80 1 2 A ASN 3 2 88.94 1 3 A LYS 4 2 89.33 1 4 A THR 5 2 92.26 1 5 A LEU 6 2 91.63 1 6 A LEU 7 2 92.11 1 7 A GLY 8 2 96.74 1 8 A LEU 9 2 93.99 1 9 A THR 10 2 95.17 1 10 A VAL 11 2 96.46 1 11 A GLY 12 2 97.55 1 12 A ALA 13 2 97.76 1 13 A LEU 14 2 95.23 1 14 A MET 15 2 92.18 1 15 A PHE 16 2 94.20 1 16 A THR 17 2 95.83 1 17 A ALA 18 2 96.77 1 18 A GLY 19 2 96.52 1 19 A SER 20 2 93.45 1 20 A ALA 21 2 94.05 1 21 A VAL 22 2 89.65 1 22 A ALA 23 2 83.16 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 PHE . 2 A 2 A 3 1 n ASN . 3 A 3 A 4 1 n LYS . 4 A 4 A 5 1 n THR . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n GLY . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n THR . 10 A 10 A 11 1 n VAL . 11 A 11 A 12 1 n GLY . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n MET . 15 A 15 A 16 1 n PHE . 16 A 16 A 17 1 n THR . 17 A 17 A 18 1 n ALA . 18 A 18 A 19 1 n GLY . 19 A 19 A 20 1 n SER . 20 A 20 A 21 1 n ALA . 21 A 21 A 22 1 n VAL . 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 ? 4.164 -16.772 1.904 1.00 78.17 1 A 1 ATOM 2 C CA . MET A 1 1 ? 4.422 -15.714 2.905 1.00 84.45 1 A 1 ATOM 3 C C . MET A 1 1 ? 3.106 -15.104 3.377 1.00 87.07 1 A 1 ATOM 4 O O . MET A 1 1 ? 2.429 -14.427 2.607 1.00 83.47 1 A 1 ATOM 5 C CB . MET A 1 1 ? 5.315 -14.623 2.316 1.00 77.08 1 A 1 ATOM 6 C CG . MET A 1 1 ? 5.712 -13.552 3.320 1.00 72.72 1 A 1 ATOM 7 S SD . MET A 1 1 ? 6.923 -12.405 2.635 1.00 70.31 1 A 1 ATOM 8 C CE . MET A 1 1 ? 7.134 -11.284 4.010 1.00 65.09 1 A 1 ATOM 9 N N . PHE A 1 2 ? 2.737 -15.350 4.627 1.00 85.43 2 A 1 ATOM 10 C CA . PHE A 1 2 ? 1.480 -14.854 5.185 1.00 88.73 2 A 1 ATOM 11 C C . PHE A 1 2 ? 1.512 -13.347 5.421 1.00 92.49 2 A 1 ATOM 12 O O . PHE A 1 2 ? 0.467 -12.701 5.504 1.00 91.73 2 A 1 ATOM 13 C CB . PHE A 1 2 ? 1.184 -15.570 6.501 1.00 85.84 2 A 1 ATOM 14 C CG . PHE A 1 2 ? 0.913 -17.038 6.312 1.00 81.26 2 A 1 ATOM 15 C CD1 . PHE A 1 2 ? -0.344 -17.469 5.926 1.00 78.21 2 A 1 ATOM 16 C CD2 . PHE A 1 2 ? 1.913 -17.968 6.517 1.00 76.49 2 A 1 ATOM 17 C CE1 . PHE A 1 2 ? -0.602 -18.815 5.744 1.00 73.70 2 A 1 ATOM 18 C CE2 . PHE A 1 2 ? 1.662 -19.318 6.334 1.00 73.80 2 A 1 ATOM 19 C CZ . PHE A 1 2 ? 0.402 -19.741 5.949 1.00 72.13 2 A 1 ATOM 20 N N . ASN A 1 3 ? 2.703 -12.783 5.519 1.00 91.69 3 A 1 ATOM 21 C CA . ASN A 1 3 ? 2.861 -11.356 5.771 1.00 94.01 3 A 1 ATOM 22 C C . ASN A 1 3 ? 2.608 -10.514 4.527 1.00 95.03 3 A 1 ATOM 23 O O . ASN A 1 3 ? 2.652 -9.285 4.585 1.00 94.67 3 A 1 ATOM 24 C CB . ASN A 1 3 ? 4.266 -11.069 6.310 1.00 91.76 3 A 1 ATOM 25 C CG . ASN A 1 3 ? 4.473 -11.656 7.688 1.00 85.25 3 A 1 ATOM 26 O OD1 . ASN A 1 3 ? 3.526 -11.934 8.410 1.00 81.46 3 A 1 ATOM 27 N ND2 . ASN A 1 3 ? 5.723 -11.851 8.073 1.00 77.67 3 A 1 ATOM 28 N N . LYS A 1 4 ? 2.332 -11.158 3.392 1.00 95.56 4 A 1 ATOM 29 C CA . LYS A 1 4 ? 2.079 -10.441 2.141 1.00 95.86 4 A 1 ATOM 30 C C . LYS A 1 4 ? 0.885 -9.506 2.289 1.00 96.22 4 A 1 ATOM 31 O O . LYS A 1 4 ? 0.851 -8.431 1.685 1.00 95.54 4 A 1 ATOM 32 C CB . LYS A 1 4 ? 1.839 -11.425 0.995 1.00 94.34 4 A 1 ATOM 33 C CG . LYS A 1 4 ? 0.582 -12.259 1.158 1.00 89.68 4 A 1 ATOM 34 C CD . LYS A 1 4 ? 0.390 -13.191 -0.023 1.00 85.11 4 A 1 ATOM 35 C CE . LYS A 1 4 ? -0.927 -13.952 0.067 1.00 78.97 4 A 1 ATOM 36 N NZ . LYS A 1 4 ? -0.946 -14.872 1.224 1.00 72.70 4 A 1 ATOM 37 N N . THR A 1 5 ? -0.088 -9.908 3.095 1.00 94.63 5 A 1 ATOM 38 C CA . THR A 1 5 ? -1.278 -9.095 3.333 1.00 94.56 5 A 1 ATOM 39 C C . THR A 1 5 ? -0.916 -7.808 4.067 1.00 95.49 5 A 1 ATOM 40 O O . THR A 1 5 ? -1.418 -6.731 3.737 1.00 94.88 5 A 1 ATOM 41 C CB . THR A 1 5 ? -2.310 -9.864 4.160 1.00 93.62 5 A 1 ATOM 42 O OG1 . THR A 1 5 ? -2.634 -11.086 3.497 1.00 87.65 5 A 1 ATOM 43 C CG2 . THR A 1 5 ? -3.571 -9.040 4.338 1.00 84.99 5 A 1 ATOM 44 N N . LEU A 1 6 ? -0.030 -7.916 5.046 1.00 94.20 6 A 1 ATOM 45 C CA . LEU A 1 6 ? 0.407 -6.757 5.817 1.00 95.00 6 A 1 ATOM 46 C C . LEU A 1 6 ? 1.183 -5.782 4.938 1.00 96.02 6 A 1 ATOM 47 O O . LEU A 1 6 ? 1.008 -4.569 5.036 1.00 96.54 6 A 1 ATOM 48 C CB . LEU A 1 6 ? 1.279 -7.203 6.991 1.00 95.00 6 A 1 ATOM 49 C CG . LEU A 1 6 ? 0.547 -8.078 8.010 1.00 86.30 6 A 1 ATOM 50 C CD1 . LEU A 1 6 ? 1.511 -8.545 9.090 1.00 85.18 6 A 1 ATOM 51 C CD2 . LEU A 1 6 ? -0.613 -7.326 8.633 1.00 84.82 6 A 1 ATOM 52 N N . LEU A 1 7 ? 2.027 -6.318 4.067 1.00 95.25 7 A 1 ATOM 53 C CA . LEU A 1 7 ? 2.811 -5.491 3.155 1.00 95.19 7 A 1 ATOM 54 C C . LEU A 1 7 ? 1.897 -4.732 2.198 1.00 96.13 7 A 1 ATOM 55 O O . LEU A 1 7 ? 2.080 -3.538 1.966 1.00 96.64 7 A 1 ATOM 56 C CB . LEU A 1 7 ? 3.783 -6.365 2.364 1.00 94.61 7 A 1 ATOM 57 C CG . LEU A 1 7 ? 4.876 -7.011 3.215 1.00 87.86 7 A 1 ATOM 58 C CD1 . LEU A 1 7 ? 5.691 -7.975 2.372 1.00 86.27 7 A 1 ATOM 59 C CD2 . LEU A 1 7 ? 5.777 -5.951 3.826 1.00 84.92 7 A 1 ATOM 60 N N . GLY A 1 8 ? 0.908 -5.430 1.650 1.00 96.36 8 A 1 ATOM 61 C CA . GLY A 1 8 ? -0.041 -4.804 0.735 1.00 96.32 8 A 1 ATOM 62 C C . GLY A 1 8 ? -0.856 -3.719 1.416 1.00 97.15 8 A 1 ATOM 63 O O . GLY A 1 8 ? -1.092 -2.654 0.844 1.00 97.12 8 A 1 ATOM 64 N N . LEU A 1 9 ? -1.272 -3.982 2.641 1.00 96.55 9 A 1 ATOM 65 C CA . LEU A 1 9 ? -2.053 -3.015 3.410 1.00 96.79 9 A 1 ATOM 66 C C . LEU A 1 9 ? -1.246 -1.752 3.682 1.00 97.45 9 A 1 ATOM 67 O O . LEU A 1 9 ? -1.754 -0.639 3.550 1.00 97.29 9 A 1 ATOM 68 C CB . LEU A 1 9 ? -2.497 -3.638 4.736 1.00 96.30 9 A 1 ATOM 69 C CG . LEU A 1 9 ? -3.349 -2.707 5.599 1.00 90.76 9 A 1 ATOM 70 C CD1 . LEU A 1 9 ? -4.651 -2.364 4.902 1.00 88.65 9 A 1 ATOM 71 C CD2 . LEU A 1 9 ? -3.623 -3.352 6.948 1.00 88.14 9 A 1 ATOM 72 N N . THR A 1 10 ? 0.011 -1.929 4.060 1.00 96.66 10 A 1 ATOM 73 C CA . THR A 1 10 ? 0.893 -0.800 4.353 1.00 96.79 10 A 1 ATOM 74 C C . THR A 1 10 ? 1.102 0.059 3.112 1.00 97.31 10 A 1 ATOM 75 O O . THR A 1 10 ? 1.005 1.287 3.170 1.00 97.19 10 A 1 ATOM 76 C CB . THR A 1 10 ? 2.253 -1.289 4.860 1.00 96.25 10 A 1 ATOM 77 O OG1 . THR A 1 10 ? 2.067 -2.063 6.042 1.00 91.92 10 A 1 ATOM 78 C CG2 . THR A 1 10 ? 3.169 -0.119 5.175 1.00 90.04 10 A 1 ATOM 79 N N . VAL A 1 11 ? 1.378 -0.580 1.984 1.00 97.56 11 A 1 ATOM 80 C CA . VAL A 1 11 ? 1.589 0.137 0.725 1.00 97.49 11 A 1 ATOM 81 C C . VAL A 1 11 ? 0.326 0.884 0.313 1.00 97.73 11 A 1 ATOM 82 O O . VAL A 1 11 ? 0.383 2.044 -0.100 1.00 97.58 11 A 1 ATOM 83 C CB . VAL A 1 11 ? 2.014 -0.834 -0.385 1.00 96.82 11 A 1 ATOM 84 C CG1 . VAL A 1 11 ? 2.076 -0.125 -1.733 1.00 93.96 11 A 1 ATOM 85 C CG2 . VAL A 1 11 ? 3.371 -1.439 -0.055 1.00 94.08 11 A 1 ATOM 86 N N . GLY A 1 12 ? -0.812 0.231 0.426 1.00 97.52 12 A 1 ATOM 87 C CA . GLY A 1 12 ? -2.080 0.856 0.071 1.00 97.28 12 A 1 ATOM 88 C C . GLY A 1 12 ? -2.375 2.072 0.929 1.00 97.78 12 A 1 ATOM 89 O O . GLY A 1 12 ? -2.825 3.105 0.430 1.00 97.63 12 A 1 ATOM 90 N N . ALA A 1 13 ? -2.107 1.965 2.223 1.00 97.83 13 A 1 ATOM 91 C CA . ALA A 1 13 ? -2.328 3.071 3.150 1.00 97.91 13 A 1 ATOM 92 C C . ALA A 1 13 ? -1.434 4.258 2.812 1.00 98.13 13 A 1 ATOM 93 O O . ALA A 1 13 ? -1.880 5.407 2.838 1.00 97.53 13 A 1 ATOM 94 C CB . ALA A 1 13 ? -2.068 2.609 4.581 1.00 97.40 13 A 1 ATOM 95 N N . LEU A 1 14 ? -0.180 3.987 2.472 1.00 97.87 14 A 1 ATOM 96 C CA . LEU A 1 14 ? 0.766 5.041 2.118 1.00 97.68 14 A 1 ATOM 97 C C . LEU A 1 14 ? 0.330 5.761 0.850 1.00 97.85 14 A 1 ATOM 98 O O . LEU A 1 14 ? 0.393 6.987 0.767 1.00 97.66 14 A 1 ATOM 99 C CB . LEU A 1 14 ? 2.160 4.447 1.922 1.00 97.31 14 A 1 ATOM 100 C CG . LEU A 1 14 ? 2.812 3.955 3.210 1.00 93.15 14 A 1 ATOM 101 C CD1 . LEU A 1 14 ? 4.095 3.210 2.898 1.00 89.97 14 A 1 ATOM 102 C CD2 . LEU A 1 14 ? 3.092 5.118 4.150 1.00 90.33 14 A 1 ATOM 103 N N . MET A 1 15 ? -0.125 5.004 -0.144 1.00 97.53 15 A 1 ATOM 104 C CA . MET A 1 15 ? -0.593 5.591 -1.397 1.00 97.21 15 A 1 ATOM 105 C C . MET A 1 15 ? -1.820 6.469 -1.167 1.00 97.33 15 A 1 ATOM 106 O O . MET A 1 15 ? -1.945 7.544 -1.750 1.00 96.85 15 A 1 ATOM 107 C CB . MET A 1 15 ? -0.929 4.494 -2.401 1.00 96.45 15 A 1 ATOM 108 C CG . MET A 1 15 ? 0.308 3.801 -2.940 1.00 92.89 15 A 1 ATOM 109 S SD . MET A 1 15 ? -0.085 2.538 -4.162 1.00 84.29 15 A 1 ATOM 110 C CE . MET A 1 15 ? 1.568 2.072 -4.665 1.00 74.92 15 A 1 ATOM 111 N N . PHE A 1 16 ? -2.721 6.006 -0.321 1.00 97.36 16 A 1 ATOM 112 C CA . PHE A 1 16 ? -3.940 6.749 -0.021 1.00 97.09 16 A 1 ATOM 113 C C . PHE A 1 16 ? -3.628 8.069 0.675 1.00 97.51 16 A 1 ATOM 114 O O . PHE A 1 16 ? -4.113 9.125 0.265 1.00 97.35 16 A 1 ATOM 115 C CB . PHE A 1 16 ? -4.864 5.908 0.854 1.00 96.49 16 A 1 ATOM 116 C CG . PHE A 1 16 ? -6.178 6.591 1.128 1.00 93.89 16 A 1 ATOM 117 C CD1 . PHE A 1 16 ? -6.359 7.344 2.280 1.00 91.69 16 A 1 ATOM 118 C CD2 . PHE A 1 16 ? -7.224 6.492 0.221 1.00 91.99 16 A 1 ATOM 119 C CE1 . PHE A 1 16 ? -7.565 7.984 2.520 1.00 91.05 16 A 1 ATOM 120 C CE2 . PHE A 1 16 ? -8.431 7.135 0.462 1.00 91.11 16 A 1 ATOM 121 C CZ . PHE A 1 16 ? -8.602 7.880 1.612 1.00 90.66 16 A 1 ATOM 122 N N . THR A 1 17 ? -2.817 8.012 1.725 1.00 97.54 17 A 1 ATOM 123 C CA . THR A 1 17 ? -2.482 9.219 2.480 1.00 97.23 17 A 1 ATOM 124 C C . THR A 1 17 ? -1.646 10.184 1.648 1.00 97.49 17 A 1 ATOM 125 O O . THR A 1 17 ? -1.873 11.397 1.679 1.00 96.92 17 A 1 ATOM 126 C CB . THR A 1 17 ? -1.747 8.872 3.781 1.00 96.51 17 A 1 ATOM 127 O OG1 . THR A 1 17 ? -1.576 10.058 4.557 1.00 93.19 17 A 1 ATOM 128 C CG2 . THR A 1 17 ? -0.386 8.264 3.519 1.00 91.92 17 A 1 ATOM 129 N N . ALA A 1 18 ? -0.696 9.652 0.873 1.00 97.38 18 A 1 ATOM 130 C CA . ALA A 1 18 ? 0.159 10.483 0.031 1.00 97.02 18 A 1 ATOM 131 C C . ALA A 1 18 ? -0.651 11.148 -1.075 1.00 97.13 18 A 1 ATOM 132 O O . ALA A 1 18 ? -0.497 12.341 -1.340 1.00 96.21 18 A 1 ATOM 133 C CB . ALA A 1 18 ? 1.279 9.644 -0.569 1.00 96.09 18 A 1 ATOM 134 N N . GLY A 1 19 ? -1.527 10.389 -1.723 1.00 96.84 19 A 1 ATOM 135 C CA . GLY A 1 19 ? -2.369 10.928 -2.783 1.00 96.25 19 A 1 ATOM 136 C C . GLY A 1 19 ? -3.311 11.997 -2.264 1.00 96.76 19 A 1 ATOM 137 O O . GLY A 1 19 ? -3.522 13.022 -2.917 1.00 96.23 19 A 1 ATOM 138 N N . SER A 1 20 ? -3.870 11.782 -1.090 1.00 96.53 20 A 1 ATOM 139 C CA . SER A 1 20 ? -4.782 12.748 -0.472 1.00 95.96 20 A 1 ATOM 140 C C . SER A 1 20 ? -4.064 14.050 -0.142 1.00 95.99 20 A 1 ATOM 141 O O . SER A 1 20 ? -4.615 15.135 -0.327 1.00 94.22 20 A 1 ATOM 142 C CB . SER A 1 20 ? -5.387 12.171 0.806 1.00 94.30 20 A 1 ATOM 143 O OG . SER A 1 20 ? -6.290 13.090 1.379 1.00 83.68 20 A 1 ATOM 144 N N . ALA A 1 21 ? -2.827 13.952 0.331 1.00 94.73 21 A 1 ATOM 145 C CA . ALA A 1 21 ? -2.035 15.130 0.683 1.00 94.48 21 A 1 ATOM 146 C C . ALA A 1 21 ? -1.701 15.961 -0.551 1.00 94.98 21 A 1 ATOM 147 O O . ALA A 1 21 ? -1.705 17.191 -0.501 1.00 93.16 21 A 1 ATOM 148 C CB . ALA A 1 21 ? -0.751 14.707 1.388 1.00 92.90 21 A 1 ATOM 149 N N . VAL A 1 22 ? -1.402 15.296 -1.663 1.00 92.61 22 A 1 ATOM 150 C CA . VAL A 1 22 ? -1.068 15.984 -2.911 1.00 92.69 22 A 1 ATOM 151 C C . VAL A 1 22 ? -2.304 16.613 -3.538 1.00 93.12 22 A 1 ATOM 152 O O . VAL A 1 22 ? -2.245 17.728 -4.064 1.00 91.53 22 A 1 ATOM 153 C CB . VAL A 1 22 ? -0.413 15.019 -3.907 1.00 89.85 22 A 1 ATOM 154 C CG1 . VAL A 1 22 ? -0.166 15.709 -5.241 1.00 83.76 22 A 1 ATOM 155 C CG2 . VAL A 1 22 ? 0.896 14.491 -3.344 1.00 83.98 22 A 1 ATOM 156 N N . ALA A 1 23 ? -3.413 15.894 -3.492 1.00 88.77 23 A 1 ATOM 157 C CA . ALA A 1 23 ? -4.667 16.358 -4.079 1.00 87.40 23 A 1 ATOM 158 C C . ALA A 1 23 ? -5.213 17.548 -3.291 1.00 84.82 23 A 1 ATOM 159 O O . ALA A 1 23 ? -5.675 18.519 -3.915 1.00 80.37 23 A 1 ATOM 160 C CB . ALA A 1 23 ? -5.682 15.223 -4.112 1.00 81.88 23 A 1 ATOM 161 O OXT . ALA A 1 23 ? -5.209 17.489 -2.061 1.00 75.72 23 A 1 #