# 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_spkb26762 # _entry.id spkb26762 # 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 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "L-PEPTIDE LINKING" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[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 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" # _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 LYS 2 1 n ASP 3 1 n THR 4 1 n ILE 5 1 n LEU 6 1 n ILE 7 1 n LEU 8 1 n PHE 9 1 n THR 10 1 n ALA 11 1 n PHE 12 1 n ILE 13 1 n ALA 14 1 n LEU 15 1 n LEU 16 1 n GLY 17 1 n PHE 18 1 n PHE 19 1 n GLY 20 1 n MET 21 1 n SER 22 1 n ALA 23 1 n GLU 24 1 n ALA 25 1 n LEU 26 1 n ALA 27 # _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 00:14:41)" _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 90.35 _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 86.45 1 1 A LYS 2 2 86.27 1 2 A ASP 3 2 91.90 1 3 A THR 4 2 93.17 1 4 A ILE 5 2 93.55 1 5 A LEU 6 2 92.10 1 6 A ILE 7 2 95.36 1 7 A LEU 8 2 92.12 1 8 A PHE 9 2 90.56 1 9 A THR 10 2 95.04 1 10 A ALA 11 2 97.60 1 11 A PHE 12 2 88.99 1 12 A ILE 13 2 94.27 1 13 A ALA 14 2 97.14 1 14 A LEU 15 2 92.32 1 15 A LEU 16 2 91.99 1 16 A GLY 17 2 95.50 1 17 A PHE 18 2 89.59 1 18 A PHE 19 2 88.35 1 19 A GLY 20 2 93.85 1 20 A MET 21 2 85.44 1 21 A SER 22 2 88.62 1 22 A ALA 23 2 91.09 1 23 A GLU 24 2 82.61 1 24 A ALA 25 2 91.06 1 25 A LEU 26 2 84.81 1 26 A ALA 27 2 81.08 1 27 # _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 LYS . 2 A 2 A 3 1 n ASP . 3 A 3 A 4 1 n THR . 4 A 4 A 5 1 n ILE . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n ILE . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n PHE . 9 A 9 A 10 1 n THR . 10 A 10 A 11 1 n ALA . 11 A 11 A 12 1 n PHE . 12 A 12 A 13 1 n ILE . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n GLY . 17 A 17 A 18 1 n PHE . 18 A 18 A 19 1 n PHE . 19 A 19 A 20 1 n GLY . 20 A 20 A 21 1 n MET . 21 A 21 A 22 1 n SER . 22 A 22 A 23 1 n ALA . 23 A 23 A 24 1 n GLU . 24 A 24 A 25 1 n ALA . 25 A 25 A 26 1 n LEU . 26 A 26 A 27 1 n ALA . 27 A 27 # _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 ? -19.752 -4.264 0.143 1.00 93.16 1 A 1 ATOM 2 C CA . MET A 1 1 ? -18.843 -4.473 -1.008 1.00 94.61 1 A 1 ATOM 3 C C . MET A 1 1 ? -17.907 -3.291 -1.267 1.00 95.16 1 A 1 ATOM 4 O O . MET A 1 1 ? -16.733 -3.533 -1.483 1.00 92.30 1 A 1 ATOM 5 C CB . MET A 1 1 ? -19.609 -4.862 -2.281 1.00 89.03 1 A 1 ATOM 6 C CG . MET A 1 1 ? -19.972 -6.354 -2.246 1.00 82.14 1 A 1 ATOM 7 S SD . MET A 1 1 ? -20.854 -6.902 -3.722 1.00 77.13 1 A 1 ATOM 8 C CE . MET A 1 1 ? -20.685 -8.688 -3.566 1.00 68.04 1 A 1 ATOM 9 N N . LYS A 1 2 ? -18.380 -2.031 -1.208 1.00 94.84 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -17.503 -0.856 -1.407 1.00 95.17 2 A 1 ATOM 11 C C . LYS A 1 2 ? -16.367 -0.775 -0.382 1.00 95.35 2 A 1 ATOM 12 O O . LYS A 1 2 ? -15.228 -0.530 -0.767 1.00 94.66 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -18.324 0.444 -1.396 1.00 93.16 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -19.085 0.664 -2.709 1.00 85.14 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -19.829 2.009 -2.684 1.00 80.16 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -20.486 2.293 -4.030 1.00 73.06 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -21.207 3.598 -4.031 1.00 64.88 2 A 1 ATOM 18 N N . ASP A 1 3 ? -16.652 -1.065 0.883 1.00 95.54 3 A 1 ATOM 19 C CA . ASP A 1 3 ? -15.670 -0.990 1.973 1.00 96.66 3 A 1 ATOM 20 C C . ASP A 1 3 ? -14.556 -2.031 1.821 1.00 97.22 3 A 1 ATOM 21 O O . ASP A 1 3 ? -13.384 -1.721 2.018 1.00 96.00 3 A 1 ATOM 22 C CB . ASP A 1 3 ? -16.395 -1.156 3.309 1.00 94.54 3 A 1 ATOM 23 C CG . ASP A 1 3 ? -17.576 -0.200 3.362 1.00 88.98 3 A 1 ATOM 24 O OD1 . ASP A 1 3 ? -17.326 1.014 3.469 1.00 83.43 3 A 1 ATOM 25 O OD2 . ASP A 1 3 ? -18.705 -0.686 3.116 1.00 82.82 3 A 1 ATOM 26 N N . THR A 1 4 ? -14.894 -3.239 1.366 1.00 95.67 4 A 1 ATOM 27 C CA . THR A 1 4 ? -13.905 -4.298 1.108 1.00 96.49 4 A 1 ATOM 28 C C . THR A 1 4 ? -12.938 -3.915 -0.013 1.00 97.20 4 A 1 ATOM 29 O O . THR A 1 4 ? -11.742 -4.171 0.096 1.00 95.89 4 A 1 ATOM 30 C CB . THR A 1 4 ? -14.605 -5.610 0.734 1.00 95.60 4 A 1 ATOM 31 O OG1 . THR A 1 4 ? -15.681 -5.865 1.610 1.00 88.29 4 A 1 ATOM 32 C CG2 . THR A 1 4 ? -13.666 -6.810 0.798 1.00 83.02 4 A 1 ATOM 33 N N . ILE A 1 5 ? -13.432 -3.266 -1.074 1.00 96.92 5 A 1 ATOM 34 C CA . ILE A 1 5 ? -12.598 -2.797 -2.189 1.00 97.01 5 A 1 ATOM 35 C C . ILE A 1 5 ? -11.664 -1.683 -1.717 1.00 97.25 5 A 1 ATOM 36 O O . ILE A 1 5 ? -10.476 -1.710 -2.033 1.00 96.80 5 A 1 ATOM 37 C CB . ILE A 1 5 ? -13.476 -2.351 -3.376 1.00 96.54 5 A 1 ATOM 38 C CG1 . ILE A 1 5 ? -14.257 -3.561 -3.947 1.00 92.09 5 A 1 ATOM 39 C CG2 . ILE A 1 5 ? -12.623 -1.700 -4.485 1.00 89.70 5 A 1 ATOM 40 C CD1 . ILE A 1 5 ? -15.335 -3.178 -4.963 1.00 82.10 5 A 1 ATOM 41 N N . LEU A 1 6 ? -12.171 -0.737 -0.915 1.00 97.29 6 A 1 ATOM 42 C CA . LEU A 1 6 ? -11.359 0.340 -0.340 1.00 97.12 6 A 1 ATOM 43 C C . LEU A 1 6 ? -10.266 -0.200 0.587 1.00 97.32 6 A 1 ATOM 44 O O . LEU A 1 6 ? -9.121 0.234 0.487 1.00 97.24 6 A 1 ATOM 45 C CB . LEU A 1 6 ? -12.274 1.314 0.416 1.00 96.38 6 A 1 ATOM 46 C CG . LEU A 1 6 ? -13.047 2.265 -0.508 1.00 85.12 6 A 1 ATOM 47 C CD1 . LEU A 1 6 ? -14.176 2.941 0.268 1.00 83.13 6 A 1 ATOM 48 C CD2 . LEU A 1 6 ? -12.134 3.357 -1.068 1.00 83.18 6 A 1 ATOM 49 N N . ILE A 1 7 ? -10.588 -1.175 1.440 1.00 97.72 7 A 1 ATOM 50 C CA . ILE A 1 7 ? -9.615 -1.818 2.334 1.00 97.63 7 A 1 ATOM 51 C C . ILE A 1 7 ? -8.525 -2.522 1.522 1.00 97.71 7 A 1 ATOM 52 O O . ILE A 1 7 ? -7.340 -2.315 1.790 1.00 97.43 7 A 1 ATOM 53 C CB . ILE A 1 7 ? -10.328 -2.784 3.300 1.00 97.40 7 A 1 ATOM 54 C CG1 . ILE A 1 7 ? -11.188 -1.986 4.310 1.00 94.72 7 A 1 ATOM 55 C CG2 . ILE A 1 7 ? -9.316 -3.662 4.063 1.00 93.42 7 A 1 ATOM 56 C CD1 . ILE A 1 7 ? -12.217 -2.842 5.053 1.00 86.81 7 A 1 ATOM 57 N N . LEU A 1 8 ? -8.897 -3.303 0.517 1.00 96.70 8 A 1 ATOM 58 C CA . LEU A 1 8 ? -7.933 -3.997 -0.342 1.00 96.60 8 A 1 ATOM 59 C C . LEU A 1 8 ? -7.047 -3.016 -1.116 1.00 96.83 8 A 1 ATOM 60 O O . LEU A 1 8 ? -5.836 -3.216 -1.193 1.00 96.95 8 A 1 ATOM 61 C CB . LEU A 1 8 ? -8.688 -4.915 -1.318 1.00 96.23 8 A 1 ATOM 62 C CG . LEU A 1 8 ? -9.245 -6.191 -0.668 1.00 86.34 8 A 1 ATOM 63 C CD1 . LEU A 1 8 ? -10.187 -6.889 -1.649 1.00 83.60 8 A 1 ATOM 64 C CD2 . LEU A 1 8 ? -8.129 -7.172 -0.299 1.00 83.71 8 A 1 ATOM 65 N N . PHE A 1 9 ? -7.629 -1.937 -1.647 1.00 96.56 9 A 1 ATOM 66 C CA . PHE A 1 9 ? -6.887 -0.903 -2.365 1.00 96.09 9 A 1 ATOM 67 C C . PHE A 1 9 ? -5.904 -0.167 -1.446 1.00 96.64 9 A 1 ATOM 68 O O . PHE A 1 9 ? -4.737 0.006 -1.794 1.00 96.50 9 A 1 ATOM 69 C CB . PHE A 1 9 ? -7.893 0.057 -3.004 1.00 95.33 9 A 1 ATOM 70 C CG . PHE A 1 9 ? -7.247 1.084 -3.904 1.00 92.13 9 A 1 ATOM 71 C CD1 . PHE A 1 9 ? -7.117 2.417 -3.483 1.00 86.31 9 A 1 ATOM 72 C CD2 . PHE A 1 9 ? -6.778 0.699 -5.168 1.00 85.81 9 A 1 ATOM 73 C CE1 . PHE A 1 9 ? -6.527 3.368 -4.330 1.00 83.69 9 A 1 ATOM 74 C CE2 . PHE A 1 9 ? -6.183 1.646 -6.015 1.00 83.36 9 A 1 ATOM 75 C CZ . PHE A 1 9 ? -6.057 2.982 -5.598 1.00 83.71 9 A 1 ATOM 76 N N . THR A 1 10 ? -6.339 0.194 -0.240 1.00 97.32 10 A 1 ATOM 77 C CA . THR A 1 10 ? -5.484 0.849 0.760 1.00 97.47 10 A 1 ATOM 78 C C . THR A 1 10 ? -4.353 -0.074 1.212 1.00 97.69 10 A 1 ATOM 79 O O . THR A 1 10 ? -3.205 0.358 1.281 1.00 97.14 10 A 1 ATOM 80 C CB . THR A 1 10 ? -6.307 1.297 1.974 1.00 96.99 10 A 1 ATOM 81 O OG1 . THR A 1 10 ? -7.374 2.122 1.559 1.00 91.57 10 A 1 ATOM 82 C CG2 . THR A 1 10 ? -5.485 2.119 2.961 1.00 87.08 10 A 1 ATOM 83 N N . ALA A 1 11 ? -4.641 -1.351 1.462 1.00 97.63 11 A 1 ATOM 84 C CA . ALA A 1 11 ? -3.627 -2.342 1.816 1.00 97.82 11 A 1 ATOM 85 C C . ALA A 1 11 ? -2.599 -2.542 0.691 1.00 97.84 11 A 1 ATOM 86 O O . ALA A 1 11 ? -1.403 -2.629 0.959 1.00 97.08 11 A 1 ATOM 87 C CB . ALA A 1 11 ? -4.334 -3.659 2.165 1.00 97.63 11 A 1 ATOM 88 N N . PHE A 1 12 ? -3.051 -2.549 -0.568 1.00 95.03 12 A 1 ATOM 89 C CA . PHE A 1 12 ? -2.169 -2.655 -1.730 1.00 94.33 12 A 1 ATOM 90 C C . PHE A 1 12 ? -1.235 -1.447 -1.861 1.00 94.81 12 A 1 ATOM 91 O O . PHE A 1 12 ? -0.030 -1.623 -2.040 1.00 94.55 12 A 1 ATOM 92 C CB . PHE A 1 12 ? -3.031 -2.843 -2.983 1.00 93.59 12 A 1 ATOM 93 C CG . PHE A 1 12 ? -2.214 -3.053 -4.238 1.00 91.04 12 A 1 ATOM 94 C CD1 . PHE A 1 12 ? -2.088 -2.020 -5.184 1.00 85.18 12 A 1 ATOM 95 C CD2 . PHE A 1 12 ? -1.572 -4.282 -4.452 1.00 84.79 12 A 1 ATOM 96 C CE1 . PHE A 1 12 ? -1.328 -2.220 -6.347 1.00 81.77 12 A 1 ATOM 97 C CE2 . PHE A 1 12 ? -0.806 -4.481 -5.613 1.00 81.22 12 A 1 ATOM 98 C CZ . PHE A 1 12 ? -0.685 -3.453 -6.561 1.00 82.60 12 A 1 ATOM 99 N N . ILE A 1 13 ? -1.753 -0.227 -1.697 1.00 97.05 13 A 1 ATOM 100 C CA . ILE A 1 13 ? -0.926 0.992 -1.706 1.00 96.75 13 A 1 ATOM 101 C C . ILE A 1 13 ? 0.070 0.986 -0.543 1.00 96.57 13 A 1 ATOM 102 O O . ILE A 1 13 ? 1.236 1.321 -0.740 1.00 95.88 13 A 1 ATOM 103 C CB . ILE A 1 13 ? -1.809 2.255 -1.689 1.00 96.28 13 A 1 ATOM 104 C CG1 . ILE A 1 13 ? -2.532 2.383 -3.050 1.00 94.29 13 A 1 ATOM 105 C CG2 . ILE A 1 13 ? -0.983 3.526 -1.409 1.00 92.08 13 A 1 ATOM 106 C CD1 . ILE A 1 13 ? -3.506 3.550 -3.122 1.00 85.23 13 A 1 ATOM 107 N N . ALA A 1 14 ? -0.353 0.588 0.656 1.00 97.51 14 A 1 ATOM 108 C CA . ALA A 1 14 ? 0.530 0.502 1.816 1.00 97.53 14 A 1 ATOM 109 C C . ALA A 1 14 ? 1.673 -0.503 1.589 1.00 97.37 14 A 1 ATOM 110 O O . ALA A 1 14 ? 2.818 -0.204 1.919 1.00 95.97 14 A 1 ATOM 111 C CB . ALA A 1 14 ? -0.307 0.139 3.046 1.00 97.33 14 A 1 ATOM 112 N N . LEU A 1 15 ? 1.386 -1.654 0.976 1.00 96.43 15 A 1 ATOM 113 C CA . LEU A 1 15 ? 2.400 -2.632 0.583 1.00 96.06 15 A 1 ATOM 114 C C . LEU A 1 15 ? 3.381 -2.051 -0.435 1.00 95.94 15 A 1 ATOM 115 O O . LEU A 1 15 ? 4.588 -2.143 -0.225 1.00 95.29 15 A 1 ATOM 116 C CB . LEU A 1 15 ? 1.707 -3.890 0.027 1.00 95.59 15 A 1 ATOM 117 C CG . LEU A 1 15 ? 1.345 -4.898 1.127 1.00 89.60 15 A 1 ATOM 118 C CD1 . LEU A 1 15 ? 0.242 -5.837 0.642 1.00 84.45 15 A 1 ATOM 119 C CD2 . LEU A 1 15 ? 2.558 -5.743 1.510 1.00 85.22 15 A 1 ATOM 120 N N . LEU A 1 16 ? 2.896 -1.396 -1.489 1.00 96.21 16 A 1 ATOM 121 C CA . LEU A 1 16 ? 3.759 -0.755 -2.484 1.00 95.40 16 A 1 ATOM 122 C C . LEU A 1 16 ? 4.645 0.328 -1.863 1.00 95.18 16 A 1 ATOM 123 O O . LEU A 1 16 ? 5.834 0.381 -2.160 1.00 94.11 16 A 1 ATOM 124 C CB . LEU A 1 16 ? 2.904 -0.151 -3.607 1.00 94.39 16 A 1 ATOM 125 C CG . LEU A 1 16 ? 2.269 -1.166 -4.569 1.00 90.15 16 A 1 ATOM 126 C CD1 . LEU A 1 16 ? 1.382 -0.403 -5.554 1.00 85.18 16 A 1 ATOM 127 C CD2 . LEU A 1 16 ? 3.311 -1.952 -5.367 1.00 85.31 16 A 1 ATOM 128 N N . GLY A 1 17 ? 4.093 1.152 -0.973 1.00 96.33 17 A 1 ATOM 129 C CA . GLY A 1 17 ? 4.855 2.169 -0.244 1.00 95.56 17 A 1 ATOM 130 C C . GLY A 1 17 ? 5.926 1.559 0.660 1.00 95.79 17 A 1 ATOM 131 O O . GLY A 1 17 ? 7.068 2.015 0.654 1.00 94.30 17 A 1 ATOM 132 N N . PHE A 1 18 ? 5.593 0.481 1.382 1.00 95.04 18 A 1 ATOM 133 C CA . PHE A 1 18 ? 6.540 -0.237 2.236 1.00 94.79 18 A 1 ATOM 134 C C . PHE A 1 18 ? 7.688 -0.856 1.430 1.00 95.06 18 A 1 ATOM 135 O O . PHE A 1 18 ? 8.853 -0.692 1.795 1.00 94.11 18 A 1 ATOM 136 C CB . PHE A 1 18 ? 5.784 -1.308 3.031 1.00 94.17 18 A 1 ATOM 137 C CG . PHE A 1 18 ? 6.682 -2.087 3.967 1.00 90.84 18 A 1 ATOM 138 C CD1 . PHE A 1 18 ? 7.195 -3.338 3.588 1.00 84.93 18 A 1 ATOM 139 C CD2 . PHE A 1 18 ? 7.039 -1.534 5.209 1.00 85.77 18 A 1 ATOM 140 C CE1 . PHE A 1 18 ? 8.060 -4.038 4.444 1.00 83.27 18 A 1 ATOM 141 C CE2 . PHE A 1 18 ? 7.905 -2.230 6.064 1.00 83.78 18 A 1 ATOM 142 C CZ . PHE A 1 18 ? 8.418 -3.480 5.684 1.00 83.71 18 A 1 ATOM 143 N N . PHE A 1 19 ? 7.386 -1.526 0.312 1.00 95.39 19 A 1 ATOM 144 C CA . PHE A 1 19 ? 8.419 -2.091 -0.556 1.00 94.59 19 A 1 ATOM 145 C C . PHE A 1 19 ? 9.255 -1.009 -1.242 1.00 94.70 19 A 1 ATOM 146 O O . PHE A 1 19 ? 10.473 -1.166 -1.333 1.00 92.91 19 A 1 ATOM 147 C CB . PHE A 1 19 ? 7.784 -3.037 -1.584 1.00 93.43 19 A 1 ATOM 148 C CG . PHE A 1 19 ? 7.454 -4.410 -1.023 1.00 90.61 19 A 1 ATOM 149 C CD1 . PHE A 1 19 ? 8.495 -5.279 -0.662 1.00 82.85 19 A 1 ATOM 150 C CD2 . PHE A 1 19 ? 6.122 -4.817 -0.857 1.00 83.22 19 A 1 ATOM 151 C CE1 . PHE A 1 19 ? 8.214 -6.545 -0.126 1.00 80.95 19 A 1 ATOM 152 C CE2 . PHE A 1 19 ? 5.835 -6.082 -0.317 1.00 81.15 19 A 1 ATOM 153 C CZ . PHE A 1 19 ? 6.879 -6.944 0.053 1.00 82.02 19 A 1 ATOM 154 N N . GLY A 1 20 ? 8.651 0.104 -1.664 1.00 94.74 20 A 1 ATOM 155 C CA . GLY A 1 20 ? 9.358 1.253 -2.232 1.00 94.27 20 A 1 ATOM 156 C C . GLY A 1 20 ? 10.329 1.888 -1.238 1.00 94.18 20 A 1 ATOM 157 O O . GLY A 1 20 ? 11.513 2.013 -1.542 1.00 92.21 20 A 1 ATOM 158 N N . MET A 1 21 ? 9.868 2.186 -0.022 1.00 94.26 21 A 1 ATOM 159 C CA . MET A 1 21 ? 10.725 2.721 1.045 1.00 94.02 21 A 1 ATOM 160 C C . MET A 1 21 ? 11.815 1.734 1.469 1.00 93.90 21 A 1 ATOM 161 O O . MET A 1 21 ? 12.945 2.139 1.726 1.00 90.87 21 A 1 ATOM 162 C CB . MET A 1 21 ? 9.880 3.093 2.269 1.00 91.63 21 A 1 ATOM 163 C CG . MET A 1 21 ? 9.136 4.410 2.073 1.00 81.31 21 A 1 ATOM 164 S SD . MET A 1 21 ? 8.205 4.914 3.539 1.00 72.60 21 A 1 ATOM 165 C CE . MET A 1 21 ? 7.918 6.650 3.118 1.00 64.97 21 A 1 ATOM 166 N N . SER A 1 22 ? 11.508 0.434 1.517 1.00 92.41 22 A 1 ATOM 167 C CA . SER A 1 22 ? 12.499 -0.589 1.866 1.00 91.85 22 A 1 ATOM 168 C C . SER A 1 22 ? 13.591 -0.718 0.806 1.00 91.26 22 A 1 ATOM 169 O O . SER A 1 22 ? 14.749 -0.918 1.153 1.00 89.67 22 A 1 ATOM 170 C CB . SER A 1 22 ? 11.838 -1.953 2.069 1.00 89.83 22 A 1 ATOM 171 O OG . SER A 1 22 ? 10.895 -1.904 3.118 1.00 76.71 22 A 1 ATOM 172 N N . ALA A 1 23 ? 13.243 -0.593 -0.477 1.00 91.85 23 A 1 ATOM 173 C CA . ALA A 1 23 ? 14.220 -0.599 -1.563 1.00 91.78 23 A 1 ATOM 174 C C . ALA A 1 23 ? 15.101 0.658 -1.547 1.00 91.54 23 A 1 ATOM 175 O O . ALA A 1 23 ? 16.301 0.562 -1.778 1.00 90.08 23 A 1 ATOM 176 C CB . ALA A 1 23 ? 13.476 -0.751 -2.895 1.00 90.19 23 A 1 ATOM 177 N N . GLU A 1 24 ? 14.534 1.820 -1.229 1.00 91.68 24 A 1 ATOM 178 C CA . GLU A 1 24 ? 15.262 3.090 -1.126 1.00 90.71 24 A 1 ATOM 179 C C . GLU A 1 24 ? 16.182 3.128 0.106 1.00 90.19 24 A 1 ATOM 180 O O . GLU A 1 24 ? 17.300 3.627 0.024 1.00 87.38 24 A 1 ATOM 181 C CB . GLU A 1 24 ? 14.227 4.225 -1.122 1.00 89.77 24 A 1 ATOM 182 C CG . GLU A 1 24 ? 14.804 5.568 -1.575 1.00 81.16 24 A 1 ATOM 183 C CD . GLU A 1 24 ? 13.718 6.642 -1.767 1.00 75.63 24 A 1 ATOM 184 O OE1 . GLU A 1 24 ? 14.061 7.725 -2.292 1.00 67.75 24 A 1 ATOM 185 O OE2 . GLU A 1 24 ? 12.544 6.397 -1.405 1.00 69.21 24 A 1 ATOM 186 N N . ALA A 1 25 ? 15.771 2.522 1.227 1.00 91.96 25 A 1 ATOM 187 C CA . ALA A 1 25 ? 16.590 2.412 2.438 1.00 91.84 25 A 1 ATOM 188 C C . ALA A 1 25 ? 17.750 1.406 2.309 1.00 91.87 25 A 1 ATOM 189 O O . ALA A 1 25 ? 18.660 1.416 3.139 1.00 89.27 25 A 1 ATOM 190 C CB . ALA A 1 25 ? 15.672 2.040 3.607 1.00 90.37 25 A 1 ATOM 191 N N . LEU A 1 26 ? 17.701 0.509 1.322 1.00 91.52 26 A 1 ATOM 192 C CA . LEU A 1 26 ? 18.734 -0.494 1.058 1.00 90.27 26 A 1 ATOM 193 C C . LEU A 1 26 ? 19.737 -0.047 -0.022 1.00 90.20 26 A 1 ATOM 194 O O . LEU A 1 26 ? 20.723 -0.749 -0.243 1.00 87.65 26 A 1 ATOM 195 C CB . LEU A 1 26 ? 18.047 -1.825 0.681 1.00 89.13 26 A 1 ATOM 196 C CG . LEU A 1 26 ? 18.763 -3.059 1.250 1.00 80.92 26 A 1 ATOM 197 C CD1 . LEU A 1 26 ? 18.157 -3.461 2.604 1.00 74.96 26 A 1 ATOM 198 C CD2 . LEU A 1 26 ? 18.626 -4.260 0.315 1.00 73.83 26 A 1 ATOM 199 N N . ALA A 1 27 ? 19.475 1.081 -0.699 1.00 88.38 27 A 1 ATOM 200 C CA . ALA A 1 27 ? 20.328 1.666 -1.741 1.00 86.83 27 A 1 ATOM 201 C C . ALA A 1 27 ? 21.325 2.673 -1.153 1.00 81.57 27 A 1 ATOM 202 O O . ALA A 1 27 ? 22.474 2.703 -1.648 1.00 76.36 27 A 1 ATOM 203 C CB . ALA A 1 27 ? 19.425 2.307 -2.797 1.00 81.36 27 A 1 ATOM 204 O OXT . ALA A 1 27 ? 20.933 3.428 -0.233 1.00 71.98 27 A 1 #