# 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_spkb29048 # _entry.id spkb29048 # 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 ILE y ISOLEUCINE CC[C@H](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" # _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 ILE 3 1 n ILE 4 1 n LYS 5 1 n THR 6 1 n THR 7 1 n ILE 8 1 n ALA 9 1 n THR 10 1 n PHE 11 1 n THR 12 1 n ALA 13 1 n ILE 14 1 n ALA 15 1 n PHE 16 1 n THR 17 1 n GLY 18 1 n ALA 19 1 n ALA 20 1 n SER 21 1 n PHE 22 1 n THR 23 1 n SER 24 1 n ALA 25 # _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 @ 2025-07-03 15:24:41)" _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 91.36 _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 87.25 1 1 A GLN 2 2 87.50 1 2 A ILE 3 2 93.66 1 3 A ILE 4 2 94.20 1 4 A LYS 5 2 90.94 1 5 A THR 6 2 94.38 1 6 A THR 7 2 94.94 1 7 A ILE 8 2 94.56 1 8 A ALA 9 2 97.50 1 9 A THR 10 2 95.17 1 10 A PHE 11 2 91.00 1 11 A THR 12 2 95.29 1 12 A ALA 13 2 97.27 1 13 A ILE 14 2 95.57 1 14 A ALA 15 2 97.13 1 15 A PHE 16 2 91.19 1 16 A THR 17 2 94.11 1 17 A GLY 18 2 95.35 1 18 A ALA 19 2 94.29 1 19 A ALA 20 2 93.84 1 20 A SER 21 2 89.43 1 21 A PHE 22 2 83.85 1 22 A THR 23 2 85.75 1 23 A SER 24 2 81.28 1 24 A ALA 25 2 77.79 1 25 # _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 ILE . 3 A 3 A 4 1 n ILE . 4 A 4 A 5 1 n LYS . 5 A 5 A 6 1 n THR . 6 A 6 A 7 1 n THR . 7 A 7 A 8 1 n ILE . 8 A 8 A 9 1 n ALA . 9 A 9 A 10 1 n THR . 10 A 10 A 11 1 n PHE . 11 A 11 A 12 1 n THR . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n ILE . 14 A 14 A 15 1 n ALA . 15 A 15 A 16 1 n PHE . 16 A 16 A 17 1 n THR . 17 A 17 A 18 1 n GLY . 18 A 18 A 19 1 n ALA . 19 A 19 A 20 1 n ALA . 20 A 20 A 21 1 n SER . 21 A 21 A 22 1 n PHE . 22 A 22 A 23 1 n THR . 23 A 23 A 24 1 n SER . 24 A 24 A 25 1 n ALA . 25 A 25 # _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 ? -17.780 -0.744 -6.264 1.00 94.60 1 A 1 ATOM 2 C CA . MET A 1 1 ? -17.149 -1.429 -5.112 1.00 94.80 1 A 1 ATOM 3 C C . MET A 1 1 ? -15.716 -1.902 -5.389 1.00 94.79 1 A 1 ATOM 4 O O . MET A 1 1 ? -14.906 -1.879 -4.476 1.00 91.68 1 A 1 ATOM 5 C CB . MET A 1 1 ? -18.016 -2.600 -4.625 1.00 90.36 1 A 1 ATOM 6 C CG . MET A 1 1 ? -19.261 -2.081 -3.891 1.00 83.07 1 A 1 ATOM 7 S SD . MET A 1 1 ? -20.306 -3.410 -3.269 1.00 78.96 1 A 1 ATOM 8 C CE . MET A 1 1 ? -21.571 -2.444 -2.410 1.00 69.73 1 A 1 ATOM 9 N N . GLN A 1 2 ? -15.395 -2.271 -6.626 1.00 96.21 2 A 1 ATOM 10 C CA . GLN A 1 2 ? -14.049 -2.756 -6.975 1.00 96.49 2 A 1 ATOM 11 C C . GLN A 1 2 ? -12.962 -1.687 -6.806 1.00 97.08 2 A 1 ATOM 12 O O . GLN A 1 2 ? -11.879 -1.994 -6.312 1.00 96.05 2 A 1 ATOM 13 C CB . GLN A 1 2 ? -14.054 -3.306 -8.410 1.00 94.84 2 A 1 ATOM 14 C CG . GLN A 1 2 ? -14.901 -4.569 -8.580 1.00 84.18 2 A 1 ATOM 15 C CD . GLN A 1 2 ? -14.284 -5.772 -7.862 1.00 79.96 2 A 1 ATOM 16 O OE1 . GLN A 1 2 ? -14.340 -5.893 -6.651 1.00 72.62 2 A 1 ATOM 17 N NE2 . GLN A 1 2 ? -13.669 -6.671 -8.576 1.00 70.09 2 A 1 ATOM 18 N N . ILE A 1 3 ? -13.268 -0.428 -7.145 1.00 96.08 3 A 1 ATOM 19 C CA . ILE A 1 3 ? -12.301 0.681 -7.077 1.00 96.84 3 A 1 ATOM 20 C C . ILE A 1 3 ? -11.754 0.850 -5.655 1.00 97.28 3 A 1 ATOM 21 O O . ILE A 1 3 ? -10.542 0.941 -5.469 1.00 96.57 3 A 1 ATOM 22 C CB . ILE A 1 3 ? -12.937 1.986 -7.603 1.00 96.00 3 A 1 ATOM 23 C CG1 . ILE A 1 3 ? -13.328 1.826 -9.095 1.00 91.99 3 A 1 ATOM 24 C CG2 . ILE A 1 3 ? -11.978 3.182 -7.425 1.00 89.93 3 A 1 ATOM 25 C CD1 . ILE A 1 3 ? -14.138 2.997 -9.654 1.00 84.62 3 A 1 ATOM 26 N N . ILE A 1 4 ? -12.632 0.826 -4.654 1.00 96.52 4 A 1 ATOM 27 C CA . ILE A 1 4 ? -12.229 0.984 -3.248 1.00 96.74 4 A 1 ATOM 28 C C . ILE A 1 4 ? -11.305 -0.160 -2.821 1.00 96.89 4 A 1 ATOM 29 O O . ILE A 1 4 ? -10.270 0.079 -2.200 1.00 96.52 4 A 1 ATOM 30 C CB . ILE A 1 4 ? -13.469 1.092 -2.338 1.00 96.36 4 A 1 ATOM 31 C CG1 . ILE A 1 4 ? -14.290 2.352 -2.701 1.00 93.30 4 A 1 ATOM 32 C CG2 . ILE A 1 4 ? -13.059 1.118 -0.851 1.00 91.28 4 A 1 ATOM 33 C CD1 . ILE A 1 4 ? -15.633 2.449 -1.972 1.00 85.96 4 A 1 ATOM 34 N N . LYS A 1 5 ? -11.650 -1.397 -3.188 1.00 96.45 5 A 1 ATOM 35 C CA . LYS A 1 5 ? -10.814 -2.565 -2.878 1.00 96.44 5 A 1 ATOM 36 C C . LYS A 1 5 ? -9.446 -2.471 -3.546 1.00 96.49 5 A 1 ATOM 37 O O . LYS A 1 5 ? -8.439 -2.723 -2.892 1.00 97.04 5 A 1 ATOM 38 C CB . LYS A 1 5 ? -11.515 -3.868 -3.287 1.00 96.09 5 A 1 ATOM 39 C CG . LYS A 1 5 ? -12.714 -4.198 -2.393 1.00 90.88 5 A 1 ATOM 40 C CD . LYS A 1 5 ? -13.267 -5.579 -2.755 1.00 88.26 5 A 1 ATOM 41 C CE . LYS A 1 5 ? -14.406 -5.965 -1.810 1.00 81.09 5 A 1 ATOM 42 N NZ . LYS A 1 5 ? -14.866 -7.359 -2.058 1.00 75.73 5 A 1 ATOM 43 N N . THR A 1 6 ? -9.412 -2.065 -4.813 1.00 97.10 6 A 1 ATOM 44 C CA . THR A 1 6 ? -8.162 -1.868 -5.553 1.00 96.86 6 A 1 ATOM 45 C C . THR A 1 6 ? -7.324 -0.758 -4.930 1.00 97.26 6 A 1 ATOM 46 O O . THR A 1 6 ? -6.131 -0.954 -4.722 1.00 96.81 6 A 1 ATOM 47 C CB . THR A 1 6 ? -8.449 -1.557 -7.025 1.00 96.25 6 A 1 ATOM 48 O OG1 . THR A 1 6 ? -9.227 -2.598 -7.575 1.00 90.04 6 A 1 ATOM 49 C CG2 . THR A 1 6 ? -7.178 -1.462 -7.865 1.00 86.33 6 A 1 ATOM 50 N N . THR A 1 7 ? -7.937 0.365 -4.564 1.00 96.32 7 A 1 ATOM 51 C CA . THR A 1 7 ? -7.230 1.476 -3.915 1.00 96.34 7 A 1 ATOM 52 C C . THR A 1 7 ? -6.631 1.049 -2.575 1.00 97.09 7 A 1 ATOM 53 O O . THR A 1 7 ? -5.460 1.321 -2.324 1.00 96.97 7 A 1 ATOM 54 C CB . THR A 1 7 ? -8.165 2.674 -3.713 1.00 96.00 7 A 1 ATOM 55 O OG1 . THR A 1 7 ? -8.660 3.103 -4.961 1.00 92.38 7 A 1 ATOM 56 C CG2 . THR A 1 7 ? -7.461 3.875 -3.089 1.00 89.46 7 A 1 ATOM 57 N N . ILE A 1 8 ? -7.391 0.342 -1.747 1.00 97.11 8 A 1 ATOM 58 C CA . ILE A 1 8 ? -6.898 -0.165 -0.460 1.00 97.12 8 A 1 ATOM 59 C C . ILE A 1 8 ? -5.764 -1.167 -0.677 1.00 97.26 8 A 1 ATOM 60 O O . ILE A 1 8 ? -4.731 -1.068 -0.016 1.00 97.14 8 A 1 ATOM 61 C CB . ILE A 1 8 ? -8.049 -0.777 0.363 1.00 96.84 8 A 1 ATOM 62 C CG1 . ILE A 1 8 ? -9.029 0.331 0.810 1.00 93.64 8 A 1 ATOM 63 C CG2 . ILE A 1 8 ? -7.513 -1.526 1.600 1.00 91.89 8 A 1 ATOM 64 C CD1 . ILE A 1 8 ? -10.344 -0.207 1.374 1.00 85.51 8 A 1 ATOM 65 N N . ALA A 1 9 ? -5.927 -2.101 -1.611 1.00 97.70 9 A 1 ATOM 66 C CA . ALA A 1 9 ? -4.895 -3.088 -1.914 1.00 97.58 9 A 1 ATOM 67 C C . ALA A 1 9 ? -3.608 -2.425 -2.415 1.00 97.76 9 A 1 ATOM 68 O O . ALA A 1 9 ? -2.522 -2.762 -1.944 1.00 97.36 9 A 1 ATOM 69 C CB . ALA A 1 9 ? -5.450 -4.084 -2.940 1.00 97.10 9 A 1 ATOM 70 N N . THR A 1 10 ? -3.727 -1.440 -3.307 1.00 96.89 10 A 1 ATOM 71 C CA . THR A 1 10 ? -2.587 -0.678 -3.824 1.00 96.84 10 A 1 ATOM 72 C C . THR A 1 10 ? -1.910 0.121 -2.718 1.00 97.21 10 A 1 ATOM 73 O O . THR A 1 10 ? -0.692 0.053 -2.581 1.00 96.99 10 A 1 ATOM 74 C CB . THR A 1 10 ? -3.029 0.257 -4.955 1.00 96.47 10 A 1 ATOM 75 O OG1 . THR A 1 10 ? -3.588 -0.499 -6.004 1.00 92.29 10 A 1 ATOM 76 C CG2 . THR A 1 10 ? -1.869 1.044 -5.559 1.00 89.52 10 A 1 ATOM 77 N N . PHE A 1 11 ? -2.684 0.829 -1.893 1.00 96.12 11 A 1 ATOM 78 C CA . PHE A 1 11 ? -2.133 1.585 -0.772 1.00 96.05 11 A 1 ATOM 79 C C . PHE A 1 11 ? -1.406 0.675 0.217 1.00 96.80 11 A 1 ATOM 80 O O . PHE A 1 11 ? -0.294 0.983 0.642 1.00 96.43 11 A 1 ATOM 81 C CB . PHE A 1 11 ? -3.255 2.362 -0.077 1.00 95.51 11 A 1 ATOM 82 C CG . PHE A 1 11 ? -2.747 3.184 1.083 1.00 91.17 11 A 1 ATOM 83 C CD1 . PHE A 1 11 ? -2.102 4.412 0.843 1.00 87.17 11 A 1 ATOM 84 C CD2 . PHE A 1 11 ? -2.872 2.705 2.401 1.00 87.68 11 A 1 ATOM 85 C CE1 . PHE A 1 11 ? -1.582 5.157 1.910 1.00 85.18 11 A 1 ATOM 86 C CE2 . PHE A 1 11 ? -2.347 3.451 3.471 1.00 85.13 11 A 1 ATOM 87 C CZ . PHE A 1 11 ? -1.701 4.675 3.226 1.00 83.71 11 A 1 ATOM 88 N N . THR A 1 12 ? -2.008 -0.467 0.531 1.00 97.38 12 A 1 ATOM 89 C CA . THR A 1 12 ? -1.403 -1.463 1.421 1.00 97.21 12 A 1 ATOM 90 C C . THR A 1 12 ? -0.114 -2.021 0.822 1.00 97.48 12 A 1 ATOM 91 O O . THR A 1 12 ? 0.894 -2.091 1.519 1.00 97.28 12 A 1 ATOM 92 C CB . THR A 1 12 ? -2.400 -2.593 1.711 1.00 96.77 12 A 1 ATOM 93 O OG1 . THR A 1 12 ? -3.564 -2.064 2.296 1.00 92.19 12 A 1 ATOM 94 C CG2 . THR A 1 12 ? -1.856 -3.624 2.690 1.00 88.69 12 A 1 ATOM 95 N N . ALA A 1 13 ? -0.107 -2.354 -0.471 1.00 97.52 13 A 1 ATOM 96 C CA . ALA A 1 13 ? 1.093 -2.828 -1.156 1.00 97.45 13 A 1 ATOM 97 C C . ALA A 1 13 ? 2.210 -1.774 -1.155 1.00 97.70 13 A 1 ATOM 98 O O . ALA A 1 13 ? 3.359 -2.105 -0.867 1.00 96.90 13 A 1 ATOM 99 C CB . ALA A 1 13 ? 0.717 -3.247 -2.582 1.00 96.80 13 A 1 ATOM 100 N N . ILE A 1 14 ? 1.878 -0.508 -1.408 1.00 97.24 14 A 1 ATOM 101 C CA . ILE A 1 14 ? 2.836 0.602 -1.353 1.00 97.03 14 A 1 ATOM 102 C C . ILE A 1 14 ? 3.374 0.777 0.067 1.00 97.06 14 A 1 ATOM 103 O O . ILE A 1 14 ? 4.582 0.905 0.243 1.00 96.58 14 A 1 ATOM 104 C CB . ILE A 1 14 ? 2.200 1.901 -1.885 1.00 96.74 14 A 1 ATOM 105 C CG1 . ILE A 1 14 ? 1.944 1.781 -3.406 1.00 95.09 14 A 1 ATOM 106 C CG2 . ILE A 1 14 ? 3.101 3.121 -1.606 1.00 94.07 14 A 1 ATOM 107 C CD1 . ILE A 1 14 ? 1.038 2.879 -3.959 1.00 90.76 14 A 1 ATOM 108 N N . ALA A 1 15 ? 2.505 0.740 1.070 1.00 97.47 15 A 1 ATOM 109 C CA . ALA A 1 15 ? 2.915 0.873 2.464 1.00 97.43 15 A 1 ATOM 110 C C . ALA A 1 15 ? 3.863 -0.257 2.887 1.00 97.34 15 A 1 ATOM 111 O O . ALA A 1 15 ? 4.907 0.014 3.479 1.00 96.45 15 A 1 ATOM 112 C CB . ALA A 1 15 ? 1.665 0.929 3.350 1.00 96.98 15 A 1 ATOM 113 N N . PHE A 1 16 ? 3.551 -1.503 2.526 1.00 96.61 16 A 1 ATOM 114 C CA . PHE A 1 16 ? 4.437 -2.634 2.791 1.00 96.08 16 A 1 ATOM 115 C C . PHE A 1 16 ? 5.748 -2.532 2.024 1.00 96.29 16 A 1 ATOM 116 O O . PHE A 1 16 ? 6.810 -2.762 2.605 1.00 95.38 16 A 1 ATOM 117 C CB . PHE A 1 16 ? 3.732 -3.956 2.469 1.00 95.21 16 A 1 ATOM 118 C CG . PHE A 1 16 ? 2.850 -4.459 3.590 1.00 91.55 16 A 1 ATOM 119 C CD1 . PHE A 1 16 ? 3.431 -4.852 4.806 1.00 87.26 16 A 1 ATOM 120 C CD2 . PHE A 1 16 ? 1.464 -4.561 3.425 1.00 88.05 16 A 1 ATOM 121 C CE1 . PHE A 1 16 ? 2.633 -5.324 5.854 1.00 85.81 16 A 1 ATOM 122 C CE2 . PHE A 1 16 ? 0.662 -5.032 4.472 1.00 85.56 16 A 1 ATOM 123 C CZ . PHE A 1 16 ? 1.247 -5.411 5.690 1.00 85.28 16 A 1 ATOM 124 N N . THR A 1 17 ? 5.703 -2.150 0.750 1.00 96.94 17 A 1 ATOM 125 C CA . THR A 1 17 ? 6.910 -1.973 -0.065 1.00 96.42 17 A 1 ATOM 126 C C . THR A 1 17 ? 7.776 -0.841 0.479 1.00 96.45 17 A 1 ATOM 127 O O . THR A 1 17 ? 8.988 -1.005 0.592 1.00 95.02 17 A 1 ATOM 128 C CB . THR A 1 17 ? 6.554 -1.703 -1.531 1.00 95.46 17 A 1 ATOM 129 O OG1 . THR A 1 17 ? 5.741 -2.741 -2.031 1.00 90.96 17 A 1 ATOM 130 C CG2 . THR A 1 17 ? 7.790 -1.646 -2.427 1.00 87.54 17 A 1 ATOM 131 N N . GLY A 1 18 ? 7.172 0.273 0.871 1.00 95.79 18 A 1 ATOM 132 C CA . GLY A 1 18 ? 7.879 1.393 1.489 1.00 94.91 18 A 1 ATOM 133 C C . GLY A 1 18 ? 8.514 1.017 2.825 1.00 95.54 18 A 1 ATOM 134 O O . GLY A 1 18 ? 9.687 1.313 3.051 1.00 95.16 18 A 1 ATOM 135 N N . ALA A 1 19 ? 7.784 0.298 3.679 1.00 94.99 19 A 1 ATOM 136 C CA . ALA A 1 19 ? 8.313 -0.198 4.946 1.00 94.76 19 A 1 ATOM 137 C C . ALA A 1 19 ? 9.436 -1.223 4.734 1.00 94.83 19 A 1 ATOM 138 O O . ALA A 1 19 ? 10.461 -1.161 5.414 1.00 93.33 19 A 1 ATOM 139 C CB . ALA A 1 19 ? 7.160 -0.791 5.763 1.00 93.56 19 A 1 ATOM 140 N N . ALA A 1 20 ? 9.275 -2.128 3.764 1.00 95.03 20 A 1 ATOM 141 C CA . ALA A 1 20 ? 10.314 -3.083 3.399 1.00 94.28 20 A 1 ATOM 142 C C . ALA A 1 20 ? 11.551 -2.376 2.844 1.00 94.54 20 A 1 ATOM 143 O O . ALA A 1 20 ? 12.662 -2.698 3.253 1.00 92.80 20 A 1 ATOM 144 C CB . ALA A 1 20 ? 9.746 -4.091 2.397 1.00 92.53 20 A 1 ATOM 145 N N . SER A 1 21 ? 11.380 -1.370 1.984 1.00 92.26 21 A 1 ATOM 146 C CA . SER A 1 21 ? 12.489 -0.567 1.462 1.00 92.11 21 A 1 ATOM 147 C C . SER A 1 21 ? 13.198 0.201 2.572 1.00 92.23 21 A 1 ATOM 148 O O . SER A 1 21 ? 14.420 0.211 2.616 1.00 90.99 21 A 1 ATOM 149 C CB . SER A 1 21 ? 12.009 0.412 0.391 1.00 90.25 21 A 1 ATOM 150 O OG . SER A 1 21 ? 11.471 -0.283 -0.712 1.00 78.71 21 A 1 ATOM 151 N N . PHE A 1 22 ? 12.441 0.779 3.511 1.00 91.26 22 A 1 ATOM 152 C CA . PHE A 1 22 ? 13.036 1.462 4.657 1.00 90.75 22 A 1 ATOM 153 C C . PHE A 1 22 ? 13.816 0.514 5.576 1.00 91.50 22 A 1 ATOM 154 O O . PHE A 1 22 ? 14.772 0.928 6.227 1.00 89.99 22 A 1 ATOM 155 C CB . PHE A 1 22 ? 11.926 2.182 5.431 1.00 88.48 22 A 1 ATOM 156 C CG . PHE A 1 22 ? 12.447 3.047 6.550 1.00 82.85 22 A 1 ATOM 157 C CD1 . PHE A 1 22 ? 13.044 4.284 6.256 1.00 79.43 22 A 1 ATOM 158 C CD2 . PHE A 1 22 ? 12.377 2.615 7.883 1.00 78.97 22 A 1 ATOM 159 C CE1 . PHE A 1 22 ? 13.569 5.075 7.282 1.00 77.27 22 A 1 ATOM 160 C CE2 . PHE A 1 22 ? 12.905 3.408 8.913 1.00 76.62 22 A 1 ATOM 161 C CZ . PHE A 1 22 ? 13.502 4.638 8.609 1.00 75.20 22 A 1 ATOM 162 N N . THR A 1 23 ? 13.409 -0.756 5.625 1.00 89.26 23 A 1 ATOM 163 C CA . THR A 1 23 ? 14.029 -1.765 6.501 1.00 88.98 23 A 1 ATOM 164 C C . THR A 1 23 ? 15.113 -2.586 5.792 1.00 88.54 23 A 1 ATOM 165 O O . THR A 1 23 ? 16.000 -3.119 6.455 1.00 87.42 23 A 1 ATOM 166 C CB . THR A 1 23 ? 12.952 -2.699 7.070 1.00 87.50 23 A 1 ATOM 167 O OG1 . THR A 1 23 ? 11.917 -1.953 7.671 1.00 80.89 23 A 1 ATOM 168 C CG2 . THR A 1 23 ? 13.477 -3.635 8.154 1.00 77.69 23 A 1 ATOM 169 N N . SER A 1 24 ? 15.034 -2.716 4.472 1.00 85.35 24 A 1 ATOM 170 C CA . SER A 1 24 ? 15.854 -3.667 3.697 1.00 83.73 24 A 1 ATOM 171 C C . SER A 1 24 ? 16.762 -3.015 2.650 1.00 82.67 24 A 1 ATOM 172 O O . SER A 1 24 ? 17.534 -3.730 2.016 1.00 80.28 24 A 1 ATOM 173 C CB . SER A 1 24 ? 14.972 -4.712 3.003 1.00 81.96 24 A 1 ATOM 174 O OG . SER A 1 24 ? 13.999 -5.244 3.876 1.00 73.71 24 A 1 ATOM 175 N N . ALA A 1 25 ? 16.655 -1.700 2.434 1.00 85.35 25 A 1 ATOM 176 C CA . ALA A 1 25 ? 17.463 -0.964 1.464 1.00 83.02 25 A 1 ATOM 177 C C . ALA A 1 25 ? 17.949 0.364 2.031 1.00 77.49 25 A 1 ATOM 178 O O . ALA A 1 25 ? 17.154 1.052 2.703 1.00 73.12 25 A 1 ATOM 179 C CB . ALA A 1 25 ? 16.683 -0.775 0.162 1.00 77.80 25 A 1 ATOM 180 O OXT . ALA A 1 25 ? 19.123 0.706 1.789 1.00 69.93 25 A 1 #