# 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_spkb32066 # _entry.id spkb32066 # 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 "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 H10 N3 O2" 156.162 HIS y HISTIDINE c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N ? "L-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 GLU 2 1 n HIS 3 1 n SER 4 1 n LEU 5 1 n ILE 6 1 n ILE 7 1 n LEU 8 1 n LEU 9 1 n PHE 10 1 n THR 11 1 n VAL 12 1 n LEU 13 1 n LEU 14 1 n LEU 15 1 n LEU 16 1 n THR 17 1 n THR 18 1 n THR 19 1 n PRO 20 1 n GLY 21 1 n ILE 22 1 n LEU 23 1 n SER 24 # _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 @ 2025-07-02 15:06:04)" _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 88.97 _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 85.27 1 1 A GLU 2 2 84.68 1 2 A HIS 3 2 86.88 1 3 A SER 4 2 93.82 1 4 A LEU 5 2 93.97 1 5 A ILE 6 2 95.32 1 6 A ILE 7 2 96.09 1 7 A LEU 8 2 95.06 1 8 A LEU 9 2 93.09 1 9 A PHE 10 2 92.16 1 10 A THR 11 2 93.98 1 11 A VAL 12 2 94.61 1 12 A LEU 13 2 92.13 1 13 A LEU 14 2 92.61 1 14 A LEU 15 2 92.02 1 15 A LEU 16 2 92.55 1 16 A THR 17 2 91.66 1 17 A THR 18 2 91.99 1 18 A THR 19 2 88.92 1 19 A PRO 20 2 86.45 1 20 A GLY 21 2 82.05 1 21 A ILE 22 2 75.02 1 22 A LEU 23 2 71.86 1 23 A SER 24 2 70.17 1 24 # _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 GLU . 2 A 2 A 3 1 n HIS . 3 A 3 A 4 1 n SER . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n ILE . 6 A 6 A 7 1 n ILE . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n PHE . 10 A 10 A 11 1 n THR . 11 A 11 A 12 1 n VAL . 12 A 12 A 13 1 n LEU . 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 THR . 17 A 17 A 18 1 n THR . 18 A 18 A 19 1 n THR . 19 A 19 A 20 1 n PRO . 20 A 20 A 21 1 n GLY . 21 A 21 A 22 1 n ILE . 22 A 22 A 23 1 n LEU . 23 A 23 A 24 1 n SER . 24 A 24 # _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 ? -5.216 0.405 -17.634 1.00 92.73 1 A 1 ATOM 2 C CA . MET A 1 1 ? -5.170 1.231 -16.405 1.00 94.79 1 A 1 ATOM 3 C C . MET A 1 1 ? -5.228 0.402 -15.110 1.00 94.65 1 A 1 ATOM 4 O O . MET A 1 1 ? -5.122 0.967 -14.037 1.00 91.36 1 A 1 ATOM 5 C CB . MET A 1 1 ? -6.268 2.309 -16.434 1.00 90.33 1 A 1 ATOM 6 C CG . MET A 1 1 ? -5.869 3.483 -17.350 1.00 81.14 1 A 1 ATOM 7 S SD . MET A 1 1 ? -7.154 4.750 -17.471 1.00 72.69 1 A 1 ATOM 8 C CE . MET A 1 1 ? -6.259 6.038 -18.363 1.00 64.46 1 A 1 ATOM 9 N N . GLU A 1 2 ? -5.342 -0.912 -15.203 1.00 94.69 2 A 1 ATOM 10 C CA . GLU A 1 2 ? -5.444 -1.809 -14.033 1.00 95.10 2 A 1 ATOM 11 C C . GLU A 1 2 ? -4.147 -1.875 -13.214 1.00 94.58 2 A 1 ATOM 12 O O . GLU A 1 2 ? -4.179 -2.043 -11.995 1.00 91.47 2 A 1 ATOM 13 C CB . GLU A 1 2 ? -5.845 -3.202 -14.531 1.00 91.97 2 A 1 ATOM 14 C CG . GLU A 1 2 ? -7.246 -3.172 -15.157 1.00 80.56 2 A 1 ATOM 15 C CD . GLU A 1 2 ? -7.577 -4.509 -15.830 1.00 75.49 2 A 1 ATOM 16 O OE1 . GLU A 1 2 ? -8.618 -5.086 -15.474 1.00 68.28 2 A 1 ATOM 17 O OE2 . GLU A 1 2 ? -6.783 -4.911 -16.713 1.00 69.99 2 A 1 ATOM 18 N N . HIS A 1 3 ? -2.986 -1.651 -13.850 1.00 96.41 3 A 1 ATOM 19 C CA . HIS A 1 3 ? -1.688 -1.673 -13.172 1.00 96.86 3 A 1 ATOM 20 C C . HIS A 1 3 ? -1.555 -0.595 -12.087 1.00 97.26 3 A 1 ATOM 21 O O . HIS A 1 3 ? -0.912 -0.837 -11.065 1.00 95.72 3 A 1 ATOM 22 C CB . HIS A 1 3 ? -0.574 -1.537 -14.215 1.00 94.68 3 A 1 ATOM 23 C CG . HIS A 1 3 ? -0.521 -2.715 -15.152 1.00 87.09 3 A 1 ATOM 24 N ND1 . HIS A 1 3 ? -0.071 -3.979 -14.828 1.00 75.63 3 A 1 ATOM 25 C CD2 . HIS A 1 3 ? -0.936 -2.755 -16.454 1.00 73.62 3 A 1 ATOM 26 C CE1 . HIS A 1 3 ? -0.210 -4.765 -15.906 1.00 75.07 3 A 1 ATOM 27 N NE2 . HIS A 1 3 ? -0.738 -4.057 -16.925 1.00 76.47 3 A 1 ATOM 28 N N . SER A 1 4 ? -2.183 0.575 -12.255 1.00 95.88 4 A 1 ATOM 29 C CA . SER A 1 4 ? -2.124 1.660 -11.267 1.00 96.82 4 A 1 ATOM 30 C C . SER A 1 4 ? -2.815 1.278 -9.951 1.00 97.47 4 A 1 ATOM 31 O O . SER A 1 4 ? -2.318 1.630 -8.884 1.00 96.27 4 A 1 ATOM 32 C CB . SER A 1 4 ? -2.759 2.934 -11.830 1.00 95.17 4 A 1 ATOM 33 O OG . SER A 1 4 ? -2.152 3.283 -13.069 1.00 81.32 4 A 1 ATOM 34 N N . LEU A 1 5 ? -3.917 0.530 -10.011 1.00 97.45 5 A 1 ATOM 35 C CA . LEU A 1 5 ? -4.610 0.023 -8.819 1.00 97.63 5 A 1 ATOM 36 C C . LEU A 1 5 ? -3.768 -1.024 -8.083 1.00 97.94 5 A 1 ATOM 37 O O . LEU A 1 5 ? -3.694 -0.990 -6.858 1.00 97.62 5 A 1 ATOM 38 C CB . LEU A 1 5 ? -5.969 -0.572 -9.224 1.00 97.12 5 A 1 ATOM 39 C CG . LEU A 1 5 ? -7.050 0.489 -9.464 1.00 90.85 5 A 1 ATOM 40 C CD1 . LEU A 1 5 ? -8.253 -0.151 -10.161 1.00 86.49 5 A 1 ATOM 41 C CD2 . LEU A 1 5 ? -7.535 1.095 -8.146 1.00 86.65 5 A 1 ATOM 42 N N . ILE A 1 6 ? -3.091 -1.904 -8.819 1.00 97.74 6 A 1 ATOM 43 C CA . ILE A 1 6 ? -2.196 -2.916 -8.243 1.00 97.77 6 A 1 ATOM 44 C C . ILE A 1 6 ? -1.023 -2.240 -7.529 1.00 97.91 6 A 1 ATOM 45 O O . ILE A 1 6 ? -0.721 -2.585 -6.387 1.00 97.55 6 A 1 ATOM 46 C CB . ILE A 1 6 ? -1.718 -3.895 -9.333 1.00 97.41 6 A 1 ATOM 47 C CG1 . ILE A 1 6 ? -2.920 -4.674 -9.920 1.00 94.42 6 A 1 ATOM 48 C CG2 . ILE A 1 6 ? -0.670 -4.872 -8.762 1.00 93.46 6 A 1 ATOM 49 C CD1 . ILE A 1 6 ? -2.577 -5.507 -11.161 1.00 86.28 6 A 1 ATOM 50 N N . ILE A 1 7 ? -0.394 -1.245 -8.157 1.00 97.93 7 A 1 ATOM 51 C CA . ILE A 1 7 ? 0.708 -0.478 -7.560 1.00 97.88 7 A 1 ATOM 52 C C . ILE A 1 7 ? 0.231 0.248 -6.299 1.00 97.90 7 A 1 ATOM 53 O O . ILE A 1 7 ? 0.910 0.195 -5.271 1.00 97.49 7 A 1 ATOM 54 C CB . ILE A 1 7 ? 1.305 0.505 -8.589 1.00 97.73 7 A 1 ATOM 55 C CG1 . ILE A 1 7 ? 2.011 -0.268 -9.729 1.00 95.61 7 A 1 ATOM 56 C CG2 . ILE A 1 7 ? 2.308 1.468 -7.921 1.00 94.75 7 A 1 ATOM 57 C CD1 . ILE A 1 7 ? 2.306 0.594 -10.960 1.00 89.40 7 A 1 ATOM 58 N N . LEU A 1 8 ? -0.933 0.886 -6.350 1.00 97.76 8 A 1 ATOM 59 C CA . LEU A 1 8 ? -1.507 1.578 -5.196 1.00 97.66 8 A 1 ATOM 60 C C . LEU A 1 8 ? -1.767 0.606 -4.041 1.00 97.74 8 A 1 ATOM 61 O O . LEU A 1 8 ? -1.340 0.870 -2.918 1.00 97.36 8 A 1 ATOM 62 C CB . LEU A 1 8 ? -2.797 2.297 -5.627 1.00 97.49 8 A 1 ATOM 63 C CG . LEU A 1 8 ? -3.466 3.097 -4.495 1.00 93.35 8 A 1 ATOM 64 C CD1 . LEU A 1 8 ? -2.597 4.273 -4.038 1.00 89.33 8 A 1 ATOM 65 C CD2 . LEU A 1 8 ? -4.807 3.643 -4.982 1.00 89.78 8 A 1 ATOM 66 N N . LEU A 1 9 ? -2.402 -0.528 -4.309 1.00 96.79 9 A 1 ATOM 67 C CA . LEU A 1 9 ? -2.679 -1.552 -3.302 1.00 96.51 9 A 1 ATOM 68 C C . LEU A 1 9 ? -1.386 -2.089 -2.683 1.00 96.56 9 A 1 ATOM 69 O O . LEU A 1 9 ? -1.282 -2.189 -1.462 1.00 96.43 9 A 1 ATOM 70 C CB . LEU A 1 9 ? -3.496 -2.679 -3.958 1.00 96.32 9 A 1 ATOM 71 C CG . LEU A 1 9 ? -3.875 -3.812 -2.987 1.00 89.50 9 A 1 ATOM 72 C CD1 . LEU A 1 9 ? -4.798 -3.324 -1.871 1.00 85.80 9 A 1 ATOM 73 C CD2 . LEU A 1 9 ? -4.583 -4.927 -3.753 1.00 86.78 9 A 1 ATOM 74 N N . PHE A 1 10 ? -0.377 -2.387 -3.505 1.00 96.42 10 A 1 ATOM 75 C CA . PHE A 1 10 ? 0.919 -2.870 -3.037 1.00 96.32 10 A 1 ATOM 76 C C . PHE A 1 10 ? 1.639 -1.823 -2.176 1.00 96.48 10 A 1 ATOM 77 O O . PHE A 1 10 ? 2.186 -2.158 -1.127 1.00 95.78 10 A 1 ATOM 78 C CB . PHE A 1 10 ? 1.756 -3.269 -4.254 1.00 96.11 10 A 1 ATOM 79 C CG . PHE A 1 10 ? 3.011 -4.022 -3.873 1.00 93.34 10 A 1 ATOM 80 C CD1 . PHE A 1 10 ? 4.261 -3.385 -3.905 1.00 88.43 10 A 1 ATOM 81 C CD2 . PHE A 1 10 ? 2.912 -5.366 -3.473 1.00 88.66 10 A 1 ATOM 82 C CE1 . PHE A 1 10 ? 5.419 -4.087 -3.540 1.00 86.99 10 A 1 ATOM 83 C CE2 . PHE A 1 10 ? 4.070 -6.068 -3.100 1.00 86.95 10 A 1 ATOM 84 C CZ . PHE A 1 10 ? 5.322 -5.429 -3.130 1.00 88.33 10 A 1 ATOM 85 N N . THR A 1 11 ? 1.575 -0.548 -2.561 1.00 96.00 11 A 1 ATOM 86 C CA . THR A 1 11 ? 2.145 0.559 -1.779 1.00 95.88 11 A 1 ATOM 87 C C . THR A 1 11 ? 1.461 0.685 -0.417 1.00 96.17 11 A 1 ATOM 88 O O . THR A 1 11 ? 2.141 0.837 0.595 1.00 95.13 11 A 1 ATOM 89 C CB . THR A 1 11 ? 2.028 1.882 -2.543 1.00 95.49 11 A 1 ATOM 90 O OG1 . THR A 1 11 ? 2.663 1.782 -3.795 1.00 90.82 11 A 1 ATOM 91 C CG2 . THR A 1 11 ? 2.697 3.041 -1.806 1.00 88.38 11 A 1 ATOM 92 N N . VAL A 1 12 ? 0.140 0.577 -0.363 1.00 95.85 12 A 1 ATOM 93 C CA . VAL A 1 12 ? -0.612 0.592 0.899 1.00 95.61 12 A 1 ATOM 94 C C . VAL A 1 12 ? -0.205 -0.592 1.777 1.00 95.72 12 A 1 ATOM 95 O O . VAL A 1 12 ? 0.081 -0.392 2.955 1.00 94.61 12 A 1 ATOM 96 C CB . VAL A 1 12 ? -2.129 0.611 0.636 1.00 95.01 12 A 1 ATOM 97 C CG1 . VAL A 1 12 ? -2.953 0.414 1.910 1.00 92.96 12 A 1 ATOM 98 C CG2 . VAL A 1 12 ? -2.544 1.959 0.033 1.00 92.51 12 A 1 ATOM 99 N N . LEU A 1 13 ? -0.094 -1.793 1.229 1.00 95.68 13 A 1 ATOM 100 C CA . LEU A 1 13 ? 0.356 -2.970 1.978 1.00 95.08 13 A 1 ATOM 101 C C . LEU A 1 13 ? 1.773 -2.789 2.533 1.00 95.25 13 A 1 ATOM 102 O O . LEU A 1 13 ? 2.014 -3.120 3.695 1.00 94.51 13 A 1 ATOM 103 C CB . LEU A 1 13 ? 0.286 -4.211 1.077 1.00 94.39 13 A 1 ATOM 104 C CG . LEU A 1 13 ? -1.145 -4.691 0.789 1.00 89.13 13 A 1 ATOM 105 C CD1 . LEU A 1 13 ? -1.113 -5.767 -0.292 1.00 85.90 13 A 1 ATOM 106 C CD2 . LEU A 1 13 ? -1.806 -5.278 2.036 1.00 87.08 13 A 1 ATOM 107 N N . LEU A 1 14 ? 2.699 -2.218 1.763 1.00 95.77 14 A 1 ATOM 108 C CA . LEU A 1 14 ? 4.046 -1.904 2.236 1.00 95.46 14 A 1 ATOM 109 C C . LEU A 1 14 ? 4.027 -0.881 3.373 1.00 95.79 14 A 1 ATOM 110 O O . LEU A 1 14 ? 4.741 -1.056 4.361 1.00 95.08 14 A 1 ATOM 111 C CB . LEU A 1 14 ? 4.902 -1.381 1.079 1.00 94.95 14 A 1 ATOM 112 C CG . LEU A 1 14 ? 5.367 -2.455 0.087 1.00 89.55 14 A 1 ATOM 113 C CD1 . LEU A 1 14 ? 6.111 -1.760 -1.053 1.00 86.66 14 A 1 ATOM 114 C CD2 . LEU A 1 14 ? 6.309 -3.470 0.736 1.00 87.63 14 A 1 ATOM 115 N N . LEU A 1 15 ? 3.204 0.161 3.288 1.00 95.70 15 A 1 ATOM 116 C CA . LEU A 1 15 ? 3.055 1.141 4.363 1.00 95.38 15 A 1 ATOM 117 C C . LEU A 1 15 ? 2.512 0.484 5.633 1.00 95.60 15 A 1 ATOM 118 O O . LEU A 1 15 ? 3.066 0.699 6.712 1.00 94.19 15 A 1 ATOM 119 C CB . LEU A 1 15 ? 2.147 2.289 3.900 1.00 94.59 15 A 1 ATOM 120 C CG . LEU A 1 15 ? 2.821 3.235 2.889 1.00 89.34 15 A 1 ATOM 121 C CD1 . LEU A 1 15 ? 1.775 4.185 2.307 1.00 85.22 15 A 1 ATOM 122 C CD2 . LEU A 1 15 ? 3.924 4.071 3.538 1.00 86.17 15 A 1 ATOM 123 N N . LEU A 1 16 ? 1.509 -0.374 5.519 1.00 95.91 16 A 1 ATOM 124 C CA . LEU A 1 16 ? 0.938 -1.091 6.655 1.00 95.53 16 A 1 ATOM 125 C C . LEU A 1 16 ? 1.941 -2.054 7.304 1.00 95.24 16 A 1 ATOM 126 O O . LEU A 1 16 ? 1.975 -2.171 8.527 1.00 93.28 16 A 1 ATOM 127 C CB . LEU A 1 16 ? -0.313 -1.842 6.183 1.00 94.77 16 A 1 ATOM 128 C CG . LEU A 1 16 ? -1.485 -0.926 5.790 1.00 91.48 16 A 1 ATOM 129 C CD1 . LEU A 1 16 ? -2.605 -1.772 5.174 1.00 87.04 16 A 1 ATOM 130 C CD2 . LEU A 1 16 ? -2.037 -0.122 6.952 1.00 87.17 16 A 1 ATOM 131 N N . THR A 1 17 ? 2.802 -2.704 6.519 1.00 95.81 17 A 1 ATOM 132 C CA . THR A 1 17 ? 3.831 -3.603 7.063 1.00 95.16 17 A 1 ATOM 133 C C . THR A 1 17 ? 5.018 -2.857 7.665 1.00 94.78 17 A 1 ATOM 134 O O . THR A 1 17 ? 5.633 -3.357 8.606 1.00 91.31 17 A 1 ATOM 135 C CB . THR A 1 17 ? 4.335 -4.589 6.008 1.00 93.50 17 A 1 ATOM 136 O OG1 . THR A 1 17 ? 4.774 -3.939 4.848 1.00 86.43 17 A 1 ATOM 137 C CG2 . THR A 1 17 ? 3.257 -5.590 5.605 1.00 84.63 17 A 1 ATOM 138 N N . THR A 1 18 ? 5.347 -1.668 7.166 1.00 96.61 18 A 1 ATOM 139 C CA . THR A 1 18 ? 6.459 -0.847 7.684 1.00 96.01 18 A 1 ATOM 140 C C . THR A 1 18 ? 6.054 0.011 8.883 1.00 95.64 18 A 1 ATOM 141 O O . THR A 1 18 ? 6.912 0.347 9.700 1.00 91.70 18 A 1 ATOM 142 C CB . THR A 1 18 ? 7.069 0.038 6.594 1.00 94.18 18 A 1 ATOM 143 O OG1 . THR A 1 18 ? 6.091 0.806 5.945 1.00 85.60 18 A 1 ATOM 144 C CG2 . THR A 1 18 ? 7.796 -0.781 5.537 1.00 84.18 18 A 1 ATOM 145 N N . THR A 1 19 ? 4.775 0.329 9.028 1.00 94.55 19 A 1 ATOM 146 C CA . THR A 1 19 ? 4.218 1.080 10.163 1.00 93.87 19 A 1 ATOM 147 C C . THR A 1 19 ? 3.164 0.251 10.905 1.00 93.62 19 A 1 ATOM 148 O O . THR A 1 19 ? 1.984 0.599 10.904 1.00 90.58 19 A 1 ATOM 149 C CB . THR A 1 19 ? 3.682 2.449 9.723 1.00 90.71 19 A 1 ATOM 150 O OG1 . THR A 1 19 ? 2.755 2.348 8.671 1.00 80.51 19 A 1 ATOM 151 C CG2 . THR A 1 19 ? 4.800 3.368 9.253 1.00 78.57 19 A 1 ATOM 152 N N . PRO A 1 20 ? 3.563 -0.855 11.580 1.00 90.36 20 A 1 ATOM 153 C CA . PRO A 1 20 ? 2.620 -1.764 12.237 1.00 90.17 20 A 1 ATOM 154 C C . PRO A 1 20 ? 1.778 -1.076 13.316 1.00 89.38 20 A 1 ATOM 155 O O . PRO A 1 20 ? 0.658 -1.491 13.576 1.00 80.91 20 A 1 ATOM 156 C CB . PRO A 1 20 ? 3.484 -2.892 12.811 1.00 86.12 20 A 1 ATOM 157 C CG . PRO A 1 20 ? 4.868 -2.274 12.961 1.00 82.18 20 A 1 ATOM 158 C CD . PRO A 1 20 ? 4.930 -1.295 11.791 1.00 86.02 20 A 1 ATOM 159 N N . GLY A 1 21 ? 2.255 0.026 13.893 1.00 85.66 21 A 1 ATOM 160 C CA . GLY A 1 21 ? 1.528 0.809 14.895 1.00 83.14 21 A 1 ATOM 161 C C . GLY A 1 21 ? 0.269 1.529 14.395 1.00 82.17 21 A 1 ATOM 162 O O . GLY A 1 21 ? -0.492 2.026 15.220 1.00 77.24 21 A 1 ATOM 163 N N . ILE A 1 22 ? 0.030 1.594 13.067 1.00 82.02 22 A 1 ATOM 164 C CA . ILE A 1 22 ? -1.206 2.180 12.511 1.00 80.70 22 A 1 ATOM 165 C C . ILE A 1 22 ? -2.343 1.147 12.466 1.00 79.21 22 A 1 ATOM 166 O O . ILE A 1 22 ? -3.512 1.521 12.484 1.00 75.45 22 A 1 ATOM 167 C CB . ILE A 1 22 ? -0.925 2.823 11.134 1.00 78.22 22 A 1 ATOM 168 C CG1 . ILE A 1 22 ? 0.104 3.967 11.293 1.00 71.90 22 A 1 ATOM 169 C CG2 . ILE A 1 22 ? -2.207 3.354 10.467 1.00 69.82 22 A 1 ATOM 170 C CD1 . ILE A 1 22 ? 0.477 4.684 9.991 1.00 62.83 22 A 1 ATOM 171 N N . LEU A 1 23 ? -2.009 -0.148 12.416 1.00 80.37 23 A 1 ATOM 172 C CA . LEU A 1 23 ? -2.973 -1.258 12.383 1.00 77.85 23 A 1 ATOM 173 C C . LEU A 1 23 ? -3.102 -1.996 13.727 1.00 78.31 23 A 1 ATOM 174 O O . LEU A 1 23 ? -3.923 -2.906 13.831 1.00 74.08 23 A 1 ATOM 175 C CB . LEU A 1 23 ? -2.583 -2.227 11.259 1.00 73.25 23 A 1 ATOM 176 C CG . LEU A 1 23 ? -3.137 -1.855 9.879 1.00 66.99 23 A 1 ATOM 177 C CD1 . LEU A 1 23 ? -2.594 -2.882 8.878 1.00 63.21 23 A 1 ATOM 178 C CD2 . LEU A 1 23 ? -4.658 -1.932 9.817 1.00 60.83 23 A 1 ATOM 179 N N . SER A 1 24 ? -2.312 -1.646 14.726 1.00 79.27 24 A 1 ATOM 180 C CA . SER A 1 24 ? -2.400 -2.231 16.065 1.00 77.66 24 A 1 ATOM 181 C C . SER A 1 24 ? -3.422 -1.517 16.938 1.00 71.73 24 A 1 ATOM 182 O O . SER A 1 24 ? -3.415 -0.265 16.931 1.00 66.28 24 A 1 ATOM 183 C CB . SER A 1 24 ? -1.042 -2.200 16.750 1.00 70.57 24 A 1 ATOM 184 O OG . SER A 1 24 ? -0.679 -0.856 16.950 1.00 62.41 24 A 1 ATOM 185 O OXT . SER A 1 24 ? -4.182 -2.255 17.657 1.00 63.30 24 A 1 #