# 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_spkb26837 # _entry.id spkb26837 # 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" "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" "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 ALA 2 1 n SER 3 1 n SER 4 1 n THR 5 1 n VAL 6 1 n SER 7 1 n VAL 8 1 n VAL 9 1 n LEU 10 1 n SER 11 1 n LEU 12 1 n PHE 13 1 n LEU 14 1 n LEU 15 1 n LEU 16 1 n LEU 17 1 n THR 18 1 n GLN 19 1 n ALA 20 1 n TYR 21 1 n SER 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 13:01:57)" _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 93.81 _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 81.79 1 1 A ALA 2 2 90.00 1 2 A SER 3 2 90.79 1 3 A SER 4 2 92.80 1 4 A THR 5 2 93.63 1 5 A VAL 6 2 95.92 1 6 A SER 7 2 95.58 1 7 A VAL 8 2 96.79 1 8 A VAL 9 2 97.08 1 9 A LEU 10 2 94.96 1 10 A SER 11 2 95.55 1 11 A LEU 12 2 94.99 1 12 A PHE 13 2 95.12 1 13 A LEU 14 2 95.96 1 14 A LEU 15 2 95.68 1 15 A LEU 16 2 96.50 1 16 A LEU 17 2 95.40 1 17 A THR 18 2 96.56 1 18 A GLN 19 2 92.15 1 19 A ALA 20 2 97.38 1 20 A TYR 21 2 91.35 1 21 A SER 22 2 89.27 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 ALA . 2 A 2 A 3 1 n SER . 3 A 3 A 4 1 n SER . 4 A 4 A 5 1 n THR . 5 A 5 A 6 1 n VAL . 6 A 6 A 7 1 n SER . 7 A 7 A 8 1 n VAL . 8 A 8 A 9 1 n VAL . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n SER . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n PHE . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n THR . 18 A 18 A 19 1 n GLN . 19 A 19 A 20 1 n ALA . 20 A 20 A 21 1 n TYR . 21 A 21 A 22 1 n SER . 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 ? -14.389 10.129 -6.277 1.00 88.77 1 A 1 ATOM 2 C CA . MET A 1 1 ? -13.797 9.099 -5.416 1.00 89.65 1 A 1 ATOM 3 C C . MET A 1 1 ? -12.275 9.187 -5.422 1.00 90.43 1 A 1 ATOM 4 O O . MET A 1 1 ? -11.582 8.174 -5.502 1.00 88.26 1 A 1 ATOM 5 C CB . MET A 1 1 ? -14.222 7.704 -5.883 1.00 83.75 1 A 1 ATOM 6 C CG . MET A 1 1 ? -15.712 7.478 -5.810 1.00 76.87 1 A 1 ATOM 7 S SD . MET A 1 1 ? -16.183 5.863 -6.446 1.00 71.71 1 A 1 ATOM 8 C CE . MET A 1 1 ? -17.942 5.927 -6.187 1.00 64.89 1 A 1 ATOM 9 N N . ALA A 1 2 ? -11.787 10.409 -5.341 1.00 87.35 2 A 1 ATOM 10 C CA . ALA A 1 2 ? -10.346 10.634 -5.361 1.00 91.54 2 A 1 ATOM 11 C C . ALA A 1 2 ? -9.706 10.221 -4.042 1.00 93.12 2 A 1 ATOM 12 O O . ALA A 1 2 ? -8.545 9.816 -4.000 1.00 91.11 2 A 1 ATOM 13 C CB . ALA A 1 2 ? -10.058 12.102 -5.647 1.00 86.89 2 A 1 ATOM 14 N N . SER A 1 3 ? -10.479 10.316 -2.960 1.00 92.73 3 A 1 ATOM 15 C CA . SER A 1 3 ? -9.984 9.953 -1.638 1.00 94.35 3 A 1 ATOM 16 C C . SER A 1 3 ? -9.758 8.449 -1.517 1.00 95.35 3 A 1 ATOM 17 O O . SER A 1 3 ? -8.884 8.003 -0.769 1.00 92.75 3 A 1 ATOM 18 C CB . SER A 1 3 ? -10.963 10.418 -0.565 1.00 90.67 3 A 1 ATOM 19 O OG . SER A 1 3 ? -12.253 9.910 -0.802 1.00 78.90 3 A 1 ATOM 20 N N . SER A 1 4 ? -10.536 7.676 -2.268 1.00 94.70 4 A 1 ATOM 21 C CA . SER A 1 4 ? -10.423 6.223 -2.229 1.00 96.08 4 A 1 ATOM 22 C C . SER A 1 4 ? -9.081 5.762 -2.785 1.00 97.06 4 A 1 ATOM 23 O O . SER A 1 4 ? -8.429 4.891 -2.209 1.00 95.21 4 A 1 ATOM 24 C CB . SER A 1 4 ? -11.570 5.571 -3.007 1.00 92.87 4 A 1 ATOM 25 O OG . SER A 1 4 ? -11.592 5.993 -4.348 1.00 80.88 4 A 1 ATOM 26 N N . THR A 1 5 ? -8.665 6.351 -3.904 1.00 95.96 5 A 1 ATOM 27 C CA . THR A 1 5 ? -7.394 5.986 -4.521 1.00 97.14 5 A 1 ATOM 28 C C . THR A 1 5 ? -6.230 6.394 -3.621 1.00 97.51 5 A 1 ATOM 29 O O . THR A 1 5 ? -5.227 5.682 -3.526 1.00 96.56 5 A 1 ATOM 30 C CB . THR A 1 5 ? -7.238 6.611 -5.918 1.00 95.84 5 A 1 ATOM 31 O OG1 . THR A 1 5 ? -6.011 6.160 -6.508 1.00 87.30 5 A 1 ATOM 32 C CG2 . THR A 1 5 ? -7.236 8.115 -5.857 1.00 85.08 5 A 1 ATOM 33 N N . VAL A 1 6 ? -6.382 7.523 -2.943 1.00 97.69 6 A 1 ATOM 34 C CA . VAL A 1 6 ? -5.363 7.994 -2.011 1.00 97.74 6 A 1 ATOM 35 C C . VAL A 1 6 ? -5.197 7.004 -0.865 1.00 97.93 6 A 1 ATOM 36 O O . VAL A 1 6 ? -4.079 6.717 -0.426 1.00 97.36 6 A 1 ATOM 37 C CB . VAL A 1 6 ? -5.717 9.382 -1.457 1.00 96.85 6 A 1 ATOM 38 C CG1 . VAL A 1 6 ? -4.697 9.818 -0.416 1.00 91.83 6 A 1 ATOM 39 C CG2 . VAL A 1 6 ? -5.789 10.394 -2.587 1.00 92.05 6 A 1 ATOM 40 N N . SER A 1 7 ? -6.314 6.477 -0.390 1.00 97.43 7 A 1 ATOM 41 C CA . SER A 1 7 ? -6.301 5.501 0.694 1.00 97.74 7 A 1 ATOM 42 C C . SER A 1 7 ? -5.557 4.234 0.280 1.00 98.08 7 A 1 ATOM 43 O O . SER A 1 7 ? -4.782 3.673 1.058 1.00 97.61 7 A 1 ATOM 44 C CB . SER A 1 7 ? -7.727 5.152 1.110 1.00 96.83 7 A 1 ATOM 45 O OG . SER A 1 7 ? -7.718 4.244 2.194 1.00 85.78 7 A 1 ATOM 46 N N . VAL A 1 8 ? -5.789 3.794 -0.957 1.00 97.83 8 A 1 ATOM 47 C CA . VAL A 1 8 ? -5.124 2.606 -1.485 1.00 97.95 8 A 1 ATOM 48 C C . VAL A 1 8 ? -3.619 2.826 -1.566 1.00 98.21 8 A 1 ATOM 49 O O . VAL A 1 8 ? -2.828 1.968 -1.161 1.00 97.89 8 A 1 ATOM 50 C CB . VAL A 1 8 ? -5.668 2.229 -2.871 1.00 97.35 8 A 1 ATOM 51 C CG1 . VAL A 1 8 ? -4.898 1.046 -3.450 1.00 94.27 8 A 1 ATOM 52 C CG2 . VAL A 1 8 ? -7.150 1.902 -2.782 1.00 94.04 8 A 1 ATOM 53 N N . VAL A 1 9 ? -3.235 3.977 -2.093 1.00 97.83 9 A 1 ATOM 54 C CA . VAL A 1 9 ? -1.820 4.317 -2.222 1.00 98.03 9 A 1 ATOM 55 C C . VAL A 1 9 ? -1.160 4.373 -0.851 1.00 98.20 9 A 1 ATOM 56 O O . VAL A 1 9 ? -0.041 3.884 -0.664 1.00 97.91 9 A 1 ATOM 57 C CB . VAL A 1 9 ? -1.635 5.661 -2.943 1.00 97.57 9 A 1 ATOM 58 C CG1 . VAL A 1 9 ? -0.163 6.061 -2.967 1.00 95.00 9 A 1 ATOM 59 C CG2 . VAL A 1 9 ? -2.180 5.572 -4.361 1.00 95.04 9 A 1 ATOM 60 N N . LEU A 1 10 ? -1.856 4.963 0.101 1.00 97.86 10 A 1 ATOM 61 C CA . LEU A 1 10 ? -1.350 5.070 1.463 1.00 97.74 10 A 1 ATOM 62 C C . LEU A 1 10 ? -1.140 3.690 2.067 1.00 97.97 10 A 1 ATOM 63 O O . LEU A 1 10 ? -0.125 3.432 2.715 1.00 97.89 10 A 1 ATOM 64 C CB . LEU A 1 10 ? -2.323 5.873 2.326 1.00 97.32 10 A 1 ATOM 65 C CG . LEU A 1 10 ? -1.863 6.099 3.767 1.00 91.89 10 A 1 ATOM 66 C CD1 . LEU A 1 10 ? -0.568 6.888 3.804 1.00 89.24 10 A 1 ATOM 67 C CD2 . LEU A 1 10 ? -2.948 6.800 4.562 1.00 89.77 10 A 1 ATOM 68 N N . SER A 1 11 ? -2.095 2.806 1.853 1.00 97.61 11 A 1 ATOM 69 C CA . SER A 1 11 ? -2.012 1.442 2.360 1.00 97.65 11 A 1 ATOM 70 C C . SER A 1 11 ? -0.804 0.721 1.774 1.00 98.03 11 A 1 ATOM 71 O O . SER A 1 11 ? -0.075 0.026 2.485 1.00 97.43 11 A 1 ATOM 72 C CB . SER A 1 11 ? -3.286 0.669 2.027 1.00 96.90 11 A 1 ATOM 73 O OG . SER A 1 11 ? -3.220 -0.644 2.552 1.00 85.68 11 A 1 ATOM 74 N N . LEU A 1 12 ? -0.598 0.898 0.477 1.00 97.80 12 A 1 ATOM 75 C CA . LEU A 1 12 ? 0.541 0.296 -0.205 1.00 97.85 12 A 1 ATOM 76 C C . LEU A 1 12 ? 1.847 0.833 0.364 1.00 98.13 12 A 1 ATOM 77 O O . LEU A 1 12 ? 2.805 0.087 0.567 1.00 97.94 12 A 1 ATOM 78 C CB . LEU A 1 12 ? 0.470 0.581 -1.705 1.00 97.56 12 A 1 ATOM 79 C CG . LEU A 1 12 ? 1.606 -0.033 -2.526 1.00 91.53 12 A 1 ATOM 80 C CD1 . LEU A 1 12 ? 1.584 -1.552 -2.430 1.00 89.09 12 A 1 ATOM 81 C CD2 . LEU A 1 12 ? 1.510 0.410 -3.976 1.00 90.00 12 A 1 ATOM 82 N N . PHE A 1 13 ? 1.874 2.134 0.619 1.00 97.82 13 A 1 ATOM 83 C CA . PHE A 1 13 ? 3.052 2.786 1.173 1.00 97.84 13 A 1 ATOM 84 C C . PHE A 1 13 ? 3.389 2.215 2.543 1.00 98.07 13 A 1 ATOM 85 O O . PHE A 1 13 ? 4.555 1.957 2.854 1.00 97.82 13 A 1 ATOM 86 C CB . PHE A 1 13 ? 2.816 4.290 1.278 1.00 97.58 13 A 1 ATOM 87 C CG . PHE A 1 13 ? 4.065 5.060 1.611 1.00 95.95 13 A 1 ATOM 88 C CD1 . PHE A 1 13 ? 5.038 5.279 0.649 1.00 92.28 13 A 1 ATOM 89 C CD2 . PHE A 1 13 ? 4.259 5.564 2.883 1.00 92.87 13 A 1 ATOM 90 C CE1 . PHE A 1 13 ? 6.187 5.989 0.952 1.00 91.54 13 A 1 ATOM 91 C CE2 . PHE A 1 13 ? 5.413 6.272 3.191 1.00 91.74 13 A 1 ATOM 92 C CZ . PHE A 1 13 ? 6.378 6.485 2.228 1.00 92.82 13 A 1 ATOM 93 N N . LEU A 1 14 ? 2.360 2.005 3.364 1.00 98.24 14 A 1 ATOM 94 C CA . LEU A 1 14 ? 2.544 1.436 4.692 1.00 98.18 14 A 1 ATOM 95 C C . LEU A 1 14 ? 3.109 0.027 4.597 1.00 98.30 14 A 1 ATOM 96 O O . LEU A 1 14 ? 3.956 -0.370 5.403 1.00 98.07 14 A 1 ATOM 97 C CB . LEU A 1 14 ? 1.210 1.407 5.444 1.00 97.88 14 A 1 ATOM 98 C CG . LEU A 1 14 ? 0.658 2.780 5.808 1.00 93.64 14 A 1 ATOM 99 C CD1 . LEU A 1 14 ? -0.732 2.648 6.414 1.00 91.34 14 A 1 ATOM 100 C CD2 . LEU A 1 14 ? 1.590 3.492 6.776 1.00 92.05 14 A 1 ATOM 101 N N . LEU A 1 15 ? 2.646 -0.724 3.610 1.00 98.35 15 A 1 ATOM 102 C CA . LEU A 1 15 ? 3.140 -2.072 3.380 1.00 98.17 15 A 1 ATOM 103 C C . LEU A 1 15 ? 4.623 -2.039 3.040 1.00 98.29 15 A 1 ATOM 104 O O . LEU A 1 15 ? 5.403 -2.850 3.535 1.00 97.95 15 A 1 ATOM 105 C CB . LEU A 1 15 ? 2.358 -2.738 2.250 1.00 97.89 15 A 1 ATOM 106 C CG . LEU A 1 15 ? 2.759 -4.186 1.964 1.00 92.57 15 A 1 ATOM 107 C CD1 . LEU A 1 15 ? 2.466 -5.078 3.162 1.00 90.50 15 A 1 ATOM 108 C CD2 . LEU A 1 15 ? 2.035 -4.700 0.732 1.00 91.73 15 A 1 ATOM 109 N N . LEU A 1 16 ? 5.003 -1.095 2.189 1.00 98.19 16 A 1 ATOM 110 C CA . LEU A 1 16 ? 6.395 -0.934 1.798 1.00 98.07 16 A 1 ATOM 111 C C . LEU A 1 16 ? 7.257 -0.601 3.006 1.00 98.10 16 A 1 ATOM 112 O O . LEU A 1 16 ? 8.377 -1.102 3.142 1.00 97.74 16 A 1 ATOM 113 C CB . LEU A 1 16 ? 6.527 0.169 0.746 1.00 97.85 16 A 1 ATOM 114 C CG . LEU A 1 16 ? 5.880 -0.157 -0.599 1.00 95.51 16 A 1 ATOM 115 C CD1 . LEU A 1 16 ? 5.929 1.048 -1.524 1.00 93.19 16 A 1 ATOM 116 C CD2 . LEU A 1 16 ? 6.567 -1.354 -1.244 1.00 93.34 16 A 1 ATOM 117 N N . LEU A 1 17 ? 6.730 0.239 3.891 1.00 98.27 17 A 1 ATOM 118 C CA . LEU A 1 17 ? 7.440 0.610 5.106 1.00 98.04 17 A 1 ATOM 119 C C . LEU A 1 17 ? 7.667 -0.613 5.978 1.00 97.93 17 A 1 ATOM 120 O O . LEU A 1 17 ? 8.734 -0.781 6.568 1.00 97.34 17 A 1 ATOM 121 C CB . LEU A 1 17 ? 6.651 1.663 5.886 1.00 97.63 17 A 1 ATOM 122 C CG . LEU A 1 17 ? 6.595 3.045 5.237 1.00 93.55 17 A 1 ATOM 123 C CD1 . LEU A 1 17 ? 5.720 3.978 6.060 1.00 90.30 17 A 1 ATOM 124 C CD2 . LEU A 1 17 ? 7.991 3.624 5.076 1.00 90.15 17 A 1 ATOM 125 N N . THR A 1 18 ? 6.664 -1.476 6.049 1.00 98.50 18 A 1 ATOM 126 C CA . THR A 1 18 ? 6.769 -2.704 6.827 1.00 98.30 18 A 1 ATOM 127 C C . THR A 1 18 ? 7.903 -3.576 6.296 1.00 98.15 18 A 1 ATOM 128 O O . THR A 1 18 ? 8.661 -4.167 7.068 1.00 97.26 18 A 1 ATOM 129 C CB . THR A 1 18 ? 5.460 -3.496 6.781 1.00 97.82 18 A 1 ATOM 130 O OG1 . THR A 1 18 ? 4.386 -2.683 7.244 1.00 94.09 18 A 1 ATOM 131 C CG2 . THR A 1 18 ? 5.553 -4.739 7.655 1.00 91.79 18 A 1 ATOM 132 N N . GLN A 1 19 ? 8.021 -3.644 4.972 1.00 98.34 19 A 1 ATOM 133 C CA . GLN A 1 19 ? 9.078 -4.422 4.341 1.00 98.07 19 A 1 ATOM 134 C C . GLN A 1 19 ? 10.447 -3.821 4.630 1.00 98.05 19 A 1 ATOM 135 O O . GLN A 1 19 ? 11.425 -4.542 4.830 1.00 96.80 19 A 1 ATOM 136 C CB . GLN A 1 19 ? 8.857 -4.490 2.828 1.00 97.49 19 A 1 ATOM 137 C CG . GLN A 1 19 ? 7.549 -5.155 2.443 1.00 93.17 19 A 1 ATOM 138 C CD . GLN A 1 19 ? 7.486 -6.597 2.913 1.00 86.61 19 A 1 ATOM 139 O OE1 . GLN A 1 19 ? 8.447 -7.343 2.771 1.00 81.49 19 A 1 ATOM 140 N NE2 . GLN A 1 19 ? 6.363 -7.002 3.470 1.00 79.30 19 A 1 ATOM 141 N N . ALA A 1 20 ? 10.506 -2.494 4.654 1.00 98.02 20 A 1 ATOM 142 C CA . ALA A 1 20 ? 11.755 -1.787 4.912 1.00 97.75 20 A 1 ATOM 143 C C . ALA A 1 20 ? 12.185 -1.932 6.367 1.00 97.57 20 A 1 ATOM 144 O O . ALA A 1 20 ? 13.378 -1.929 6.674 1.00 96.58 20 A 1 ATOM 145 C CB . ALA A 1 20 ? 11.612 -0.310 4.556 1.00 96.97 20 A 1 ATOM 146 N N . TYR A 1 21 ? 11.197 -2.062 7.253 1.00 97.46 21 A 1 ATOM 147 C CA . TYR A 1 21 ? 11.466 -2.187 8.679 1.00 96.74 21 A 1 ATOM 148 C C . TYR A 1 21 ? 11.424 -3.649 9.125 1.00 95.91 21 A 1 ATOM 149 O O . TYR A 1 21 ? 11.141 -3.940 10.289 1.00 93.78 21 A 1 ATOM 150 C CB . TYR A 1 21 ? 10.457 -1.353 9.485 1.00 95.41 21 A 1 ATOM 151 C CG . TYR A 1 21 ? 10.756 0.129 9.483 1.00 91.92 21 A 1 ATOM 152 C CD1 . TYR A 1 21 ? 10.533 0.901 8.357 1.00 88.08 21 A 1 ATOM 153 C CD2 . TYR A 1 21 ? 11.256 0.748 10.618 1.00 86.77 21 A 1 ATOM 154 C CE1 . TYR A 1 21 ? 10.811 2.256 8.351 1.00 87.53 21 A 1 ATOM 155 C CE2 . TYR A 1 21 ? 11.533 2.106 10.628 1.00 87.43 21 A 1 ATOM 156 C CZ . TYR A 1 21 ? 11.308 2.854 9.490 1.00 88.33 21 A 1 ATOM 157 O OH . TYR A 1 21 ? 11.581 4.200 9.490 1.00 86.86 21 A 1 ATOM 158 N N . SER A 1 22 ? 11.720 -4.547 8.203 1.00 96.23 22 A 1 ATOM 159 C CA . SER A 1 22 ? 11.681 -5.970 8.498 1.00 95.08 22 A 1 ATOM 160 C C . SER A 1 22 ? 12.987 -6.639 8.067 1.00 91.98 22 A 1 ATOM 161 O O . SER A 1 22 ? 13.369 -7.651 8.676 1.00 86.46 22 A 1 ATOM 162 C CB . SER A 1 22 ? 10.481 -6.628 7.808 1.00 91.09 22 A 1 ATOM 163 O OG . SER A 1 22 ? 10.435 -8.008 8.112 1.00 82.01 22 A 1 ATOM 164 O OXT . SER A 1 22 ? 13.621 -6.132 7.120 1.00 82.03 22 A 1 #