# 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_spkb42277 # _entry.id spkb42277 # 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 "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 PHE 2 1 n THR 3 1 n LEU 4 1 n LYS 5 1 n LYS 6 1 n SER 7 1 n LEU 8 1 n LEU 9 1 n LEU 10 1 n LEU 11 1 n PHE 12 1 n PHE 13 1 n LEU 14 1 n GLY 15 1 n THR 16 1 n ILE 17 1 n SER 18 1 n LEU 19 1 n SER 20 # _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 00:25:32)" _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 90.55 _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 78.59 1 1 A PHE 2 2 81.96 1 2 A THR 3 2 89.58 1 3 A LEU 4 2 91.08 1 4 A LYS 5 2 88.87 1 5 A LYS 6 2 89.40 1 6 A SER 7 2 93.00 1 7 A LEU 8 2 94.24 1 8 A LEU 9 2 93.14 1 9 A LEU 10 2 93.25 1 10 A LEU 11 2 93.31 1 11 A PHE 12 2 92.72 1 12 A PHE 13 2 92.62 1 13 A LEU 14 2 95.08 1 14 A GLY 15 2 96.62 1 15 A THR 16 2 94.30 1 16 A ILE 17 2 93.59 1 17 A SER 18 2 92.94 1 18 A LEU 19 2 89.57 1 19 A SER 20 2 82.81 1 20 # _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 THR . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n LYS . 5 A 5 A 6 1 n LYS . 6 A 6 A 7 1 n SER . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n PHE . 12 A 12 A 13 1 n PHE . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n GLY . 15 A 15 A 16 1 n THR . 16 A 16 A 17 1 n ILE . 17 A 17 A 18 1 n SER . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n SER . 20 A 20 # _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 ? -9.881 5.005 -8.458 1.00 82.77 1 A 1 ATOM 2 C CA . MET A 1 1 ? -10.013 4.261 -7.188 1.00 87.63 1 A 1 ATOM 3 C C . MET A 1 1 ? -9.143 3.012 -7.209 1.00 87.68 1 A 1 ATOM 4 O O . MET A 1 1 ? -9.096 2.312 -8.211 1.00 83.06 1 A 1 ATOM 5 C CB . MET A 1 1 ? -11.478 3.865 -6.943 1.00 80.12 1 A 1 ATOM 6 C CG . MET A 1 1 ? -11.687 3.142 -5.620 1.00 74.56 1 A 1 ATOM 7 S SD . MET A 1 1 ? -13.415 2.744 -5.340 1.00 68.28 1 A 1 ATOM 8 C CE . MET A 1 1 ? -13.309 1.943 -3.742 1.00 64.64 1 A 1 ATOM 9 N N . PHE A 1 2 ? -8.456 2.732 -6.112 1.00 87.97 2 A 1 ATOM 10 C CA . PHE A 1 2 ? -7.579 1.576 -5.989 1.00 91.05 2 A 1 ATOM 11 C C . PHE A 1 2 ? -8.164 0.560 -5.017 1.00 93.54 2 A 1 ATOM 12 O O . PHE A 1 2 ? -9.078 0.864 -4.250 1.00 92.00 2 A 1 ATOM 13 C CB . PHE A 1 2 ? -6.188 2.011 -5.528 1.00 87.17 2 A 1 ATOM 14 C CG . PHE A 1 2 ? -6.191 3.234 -4.649 1.00 80.15 2 A 1 ATOM 15 C CD1 . PHE A 1 2 ? -6.536 3.143 -3.317 1.00 78.22 2 A 1 ATOM 16 C CD2 . PHE A 1 2 ? -5.860 4.468 -5.183 1.00 75.88 2 A 1 ATOM 17 C CE1 . PHE A 1 2 ? -6.550 4.265 -2.512 1.00 71.30 2 A 1 ATOM 18 C CE2 . PHE A 1 2 ? -5.868 5.601 -4.382 1.00 73.95 2 A 1 ATOM 19 C CZ . PHE A 1 2 ? -6.216 5.495 -3.047 1.00 70.28 2 A 1 ATOM 20 N N . THR A 1 3 ? -7.629 -0.656 -5.051 1.00 91.84 3 A 1 ATOM 21 C CA . THR A 1 3 ? -8.101 -1.731 -4.189 1.00 94.05 3 A 1 ATOM 22 C C . THR A 1 3 ? -7.683 -1.489 -2.738 1.00 94.81 3 A 1 ATOM 23 O O . THR A 1 3 ? -6.788 -0.685 -2.463 1.00 93.08 3 A 1 ATOM 24 C CB . THR A 1 3 ? -7.555 -3.089 -4.650 1.00 91.58 3 A 1 ATOM 25 O OG1 . THR A 1 3 ? -6.140 -3.091 -4.611 1.00 81.59 3 A 1 ATOM 26 C CG2 . THR A 1 3 ? -8.010 -3.393 -6.068 1.00 80.12 3 A 1 ATOM 27 N N . LEU A 1 4 ? -8.329 -2.201 -1.809 1.00 94.94 4 A 1 ATOM 28 C CA . LEU A 1 4 ? -8.019 -2.067 -0.388 1.00 95.83 4 A 1 ATOM 29 C C . LEU A 1 4 ? -6.577 -2.466 -0.100 1.00 96.29 4 A 1 ATOM 30 O O . LEU A 1 4 ? -5.904 -1.855 0.733 1.00 95.78 4 A 1 ATOM 31 C CB . LEU A 1 4 ? -8.975 -2.925 0.453 1.00 94.96 4 A 1 ATOM 32 C CG . LEU A 1 4 ? -10.294 -2.255 0.856 1.00 87.27 4 A 1 ATOM 33 C CD1 . LEU A 1 4 ? -10.010 -1.100 1.807 1.00 82.58 4 A 1 ATOM 34 C CD2 . LEU A 1 4 ? -11.051 -1.756 -0.367 1.00 81.01 4 A 1 ATOM 35 N N . LYS A 1 5 ? -6.104 -3.493 -0.797 1.00 96.20 5 A 1 ATOM 36 C CA . LYS A 1 5 ? -4.733 -3.961 -0.630 1.00 96.58 5 A 1 ATOM 37 C C . LYS A 1 5 ? -3.732 -2.891 -1.057 1.00 96.46 5 A 1 ATOM 38 O O . LYS A 1 5 ? -2.727 -2.665 -0.383 1.00 96.09 5 A 1 ATOM 39 C CB . LYS A 1 5 ? -4.514 -5.238 -1.439 1.00 95.87 5 A 1 ATOM 40 C CG . LYS A 1 5 ? -5.330 -6.413 -0.920 1.00 88.49 5 A 1 ATOM 41 C CD . LYS A 1 5 ? -5.055 -7.676 -1.710 1.00 84.46 5 A 1 ATOM 42 C CE . LYS A 1 5 ? -5.540 -7.553 -3.144 1.00 76.54 5 A 1 ATOM 43 N NZ . LYS A 1 5 ? -5.353 -8.825 -3.891 1.00 69.18 5 A 1 ATOM 44 N N . LYS A 1 6 ? -4.013 -2.224 -2.174 1.00 96.70 6 A 1 ATOM 45 C CA . LYS A 1 6 ? -3.147 -1.163 -2.674 1.00 96.57 6 A 1 ATOM 46 C C . LYS A 1 6 ? -3.171 0.039 -1.738 1.00 96.71 6 A 1 ATOM 47 O O . LYS A 1 6 ? -2.142 0.671 -1.506 1.00 96.25 6 A 1 ATOM 48 C CB . LYS A 1 6 ? -3.580 -0.742 -4.079 1.00 95.71 6 A 1 ATOM 49 C CG . LYS A 1 6 ? -3.439 -1.847 -5.119 1.00 89.11 6 A 1 ATOM 50 C CD . LYS A 1 6 ? -1.995 -2.283 -5.282 1.00 83.34 6 A 1 ATOM 51 C CE . LYS A 1 6 ? -1.857 -3.357 -6.348 1.00 79.21 6 A 1 ATOM 52 N NZ . LYS A 1 6 ? -0.443 -3.783 -6.518 1.00 70.98 6 A 1 ATOM 53 N N . SER A 1 7 ? -4.338 0.345 -1.195 1.00 95.41 7 A 1 ATOM 54 C CA . SER A 1 7 ? -4.493 1.455 -0.265 1.00 95.31 7 A 1 ATOM 55 C C . SER A 1 7 ? -3.647 1.235 0.988 1.00 96.02 7 A 1 ATOM 56 O O . SER A 1 7 ? -2.967 2.147 1.455 1.00 95.16 7 A 1 ATOM 57 C CB . SER A 1 7 ? -5.961 1.617 0.126 1.00 94.63 7 A 1 ATOM 58 O OG . SER A 1 7 ? -6.121 2.720 0.985 1.00 81.49 7 A 1 ATOM 59 N N . LEU A 1 8 ? -3.690 0.021 1.513 1.00 96.34 8 A 1 ATOM 60 C CA . LEU A 1 8 ? -2.901 -0.339 2.688 1.00 96.53 8 A 1 ATOM 61 C C . LEU A 1 8 ? -1.410 -0.282 2.381 1.00 96.88 8 A 1 ATOM 62 O O . LEU A 1 8 ? -0.616 0.176 3.205 1.00 96.58 8 A 1 ATOM 63 C CB . LEU A 1 8 ? -3.281 -1.744 3.159 1.00 96.58 8 A 1 ATOM 64 C CG . LEU A 1 8 ? -2.534 -2.221 4.402 1.00 93.22 8 A 1 ATOM 65 C CD1 . LEU A 1 8 ? -2.808 -1.308 5.586 1.00 87.88 8 A 1 ATOM 66 C CD2 . LEU A 1 8 ? -2.930 -3.651 4.736 1.00 89.91 8 A 1 ATOM 67 N N . LEU A 1 9 ? -1.035 -0.747 1.200 1.00 96.25 9 A 1 ATOM 68 C CA . LEU A 1 9 ? 0.359 -0.744 0.770 1.00 96.04 9 A 1 ATOM 69 C C . LEU A 1 9 ? 0.908 0.675 0.695 1.00 96.37 9 A 1 ATOM 70 O O . LEU A 1 9 ? 2.033 0.934 1.124 1.00 96.51 9 A 1 ATOM 71 C CB . LEU A 1 9 ? 0.489 -1.422 -0.594 1.00 96.22 9 A 1 ATOM 72 C CG . LEU A 1 9 ? 1.912 -1.490 -1.146 1.00 89.83 9 A 1 ATOM 73 C CD1 . LEU A 1 9 ? 2.811 -2.292 -0.221 1.00 85.68 9 A 1 ATOM 74 C CD2 . LEU A 1 9 ? 1.912 -2.091 -2.539 1.00 88.22 9 A 1 ATOM 75 N N . LEU A 1 10 ? 0.113 1.593 0.162 1.00 96.50 10 A 1 ATOM 76 C CA . LEU A 1 10 ? 0.522 2.986 0.040 1.00 96.16 10 A 1 ATOM 77 C C . LEU A 1 10 ? 0.755 3.610 1.411 1.00 96.54 10 A 1 ATOM 78 O O . LEU A 1 10 ? 1.761 4.283 1.634 1.00 96.57 10 A 1 ATOM 79 C CB . LEU A 1 10 ? -0.543 3.785 -0.717 1.00 96.05 10 A 1 ATOM 80 C CG . LEU A 1 10 ? -0.672 3.445 -2.196 1.00 90.22 10 A 1 ATOM 81 C CD1 . LEU A 1 10 ? -1.868 4.169 -2.794 1.00 85.92 10 A 1 ATOM 82 C CD2 . LEU A 1 10 ? 0.594 3.815 -2.950 1.00 88.03 10 A 1 ATOM 83 N N . LEU A 1 11 ? -0.174 3.382 2.330 1.00 96.63 11 A 1 ATOM 84 C CA . LEU A 1 11 ? -0.055 3.909 3.684 1.00 96.42 11 A 1 ATOM 85 C C . LEU A 1 11 ? 1.149 3.310 4.398 1.00 96.68 11 A 1 ATOM 86 O O . LEU A 1 11 ? 1.878 4.013 5.101 1.00 96.42 11 A 1 ATOM 87 C CB . LEU A 1 11 ? -1.329 3.616 4.473 1.00 96.19 11 A 1 ATOM 88 C CG . LEU A 1 11 ? -1.337 4.186 5.892 1.00 90.55 11 A 1 ATOM 89 C CD1 . LEU A 1 11 ? -1.228 5.705 5.866 1.00 86.16 11 A 1 ATOM 90 C CD2 . LEU A 1 11 ? -2.605 3.766 6.616 1.00 87.43 11 A 1 ATOM 91 N N . PHE A 1 12 ? 1.351 2.008 4.227 1.00 96.47 12 A 1 ATOM 92 C CA . PHE A 1 12 ? 2.479 1.307 4.828 1.00 96.16 12 A 1 ATOM 93 C C . PHE A 1 12 ? 3.803 1.836 4.294 1.00 96.65 12 A 1 ATOM 94 O O . PHE A 1 12 ? 4.716 2.139 5.063 1.00 96.29 12 A 1 ATOM 95 C CB . PHE A 1 12 ? 2.367 -0.192 4.548 1.00 95.91 12 A 1 ATOM 96 C CG . PHE A 1 12 ? 3.558 -0.981 5.024 1.00 92.72 12 A 1 ATOM 97 C CD1 . PHE A 1 12 ? 3.712 -1.287 6.367 1.00 88.06 12 A 1 ATOM 98 C CD2 . PHE A 1 12 ? 4.520 -1.402 4.120 1.00 90.09 12 A 1 ATOM 99 C CE1 . PHE A 1 12 ? 4.811 -2.006 6.807 1.00 88.17 12 A 1 ATOM 100 C CE2 . PHE A 1 12 ? 5.629 -2.122 4.557 1.00 89.40 12 A 1 ATOM 101 C CZ . PHE A 1 12 ? 5.772 -2.422 5.901 1.00 89.99 12 A 1 ATOM 102 N N . PHE A 1 13 ? 3.902 1.941 2.976 1.00 96.68 13 A 1 ATOM 103 C CA . PHE A 1 13 ? 5.119 2.406 2.325 1.00 96.59 13 A 1 ATOM 104 C C . PHE A 1 13 ? 5.462 3.831 2.744 1.00 96.96 13 A 1 ATOM 105 O O . PHE A 1 13 ? 6.603 4.123 3.102 1.00 96.28 13 A 1 ATOM 106 C CB . PHE A 1 13 ? 4.965 2.322 0.808 1.00 96.18 13 A 1 ATOM 107 C CG . PHE A 1 13 ? 6.239 2.616 0.064 1.00 93.03 13 A 1 ATOM 108 C CD1 . PHE A 1 13 ? 7.257 1.680 0.012 1.00 87.87 13 A 1 ATOM 109 C CD2 . PHE A 1 13 ? 6.409 3.832 -0.579 1.00 89.63 13 A 1 ATOM 110 C CE1 . PHE A 1 13 ? 8.434 1.949 -0.671 1.00 87.60 13 A 1 ATOM 111 C CE2 . PHE A 1 13 ? 7.589 4.111 -1.265 1.00 88.66 13 A 1 ATOM 112 C CZ . PHE A 1 13 ? 8.600 3.166 -1.310 1.00 89.34 13 A 1 ATOM 113 N N . LEU A 1 14 ? 4.474 4.711 2.710 1.00 97.59 14 A 1 ATOM 114 C CA . LEU A 1 14 ? 4.680 6.104 3.089 1.00 97.38 14 A 1 ATOM 115 C C . LEU A 1 14 ? 4.965 6.240 4.580 1.00 97.51 14 A 1 ATOM 116 O O . LEU A 1 14 ? 5.798 7.050 4.988 1.00 96.66 14 A 1 ATOM 117 C CB . LEU A 1 14 ? 3.448 6.932 2.717 1.00 96.86 14 A 1 ATOM 118 C CG . LEU A 1 14 ? 3.185 7.049 1.218 1.00 94.75 14 A 1 ATOM 119 C CD1 . LEU A 1 14 ? 1.866 7.760 0.978 1.00 89.74 14 A 1 ATOM 120 C CD2 . LEU A 1 14 ? 4.317 7.790 0.525 1.00 90.14 14 A 1 ATOM 121 N N . GLY A 1 15 ? 4.278 5.451 5.390 1.00 96.79 15 A 1 ATOM 122 C CA . GLY A 1 15 ? 4.460 5.487 6.834 1.00 96.55 15 A 1 ATOM 123 C C . GLY A 1 15 ? 5.849 5.056 7.257 1.00 96.98 15 A 1 ATOM 124 O O . GLY A 1 15 ? 6.475 5.693 8.104 1.00 96.18 15 A 1 ATOM 125 N N . THR A 1 16 ? 6.339 3.971 6.670 1.00 96.89 16 A 1 ATOM 126 C CA . THR A 1 16 ? 7.653 3.435 7.012 1.00 96.92 16 A 1 ATOM 127 C C . THR A 1 16 ? 8.773 4.406 6.659 1.00 96.83 16 A 1 ATOM 128 O O . THR A 1 16 ? 9.670 4.643 7.469 1.00 94.96 16 A 1 ATOM 129 C CB . THR A 1 16 ? 7.911 2.094 6.310 1.00 95.76 16 A 1 ATOM 130 O OG1 . THR A 1 16 ? 7.671 2.207 4.918 1.00 89.84 16 A 1 ATOM 131 C CG2 . THR A 1 16 ? 7.026 1.014 6.896 1.00 88.90 16 A 1 ATOM 132 N N . ILE A 1 17 ? 8.718 4.978 5.466 1.00 97.04 17 A 1 ATOM 133 C CA . ILE A 1 17 ? 9.747 5.914 5.026 1.00 96.45 17 A 1 ATOM 134 C C . ILE A 1 17 ? 9.704 7.217 5.821 1.00 96.30 17 A 1 ATOM 135 O O . ILE A 1 17 ? 10.723 7.888 5.976 1.00 95.15 17 A 1 ATOM 136 C CB . ILE A 1 17 ? 9.628 6.218 3.519 1.00 95.40 17 A 1 ATOM 137 C CG1 . ILE A 1 17 ? 8.282 6.863 3.200 1.00 92.01 17 A 1 ATOM 138 C CG2 . ILE A 1 17 ? 9.834 4.945 2.716 1.00 89.90 17 A 1 ATOM 139 C CD1 . ILE A 1 17 ? 8.130 7.283 1.748 1.00 86.44 17 A 1 ATOM 140 N N . SER A 1 18 ? 8.535 7.564 6.332 1.00 95.44 18 A 1 ATOM 141 C CA . SER A 1 18 ? 8.372 8.788 7.115 1.00 95.42 18 A 1 ATOM 142 C C . SER A 1 18 ? 9.077 8.687 8.464 1.00 95.25 18 A 1 ATOM 143 O O . SER A 1 18 ? 9.495 9.694 9.035 1.00 93.76 18 A 1 ATOM 144 C CB . SER A 1 18 ? 6.892 9.090 7.341 1.00 93.81 18 A 1 ATOM 145 O OG . SER A 1 18 ? 6.239 9.334 6.115 1.00 83.95 18 A 1 ATOM 146 N N . LEU A 1 19 ? 9.198 7.466 8.976 1.00 94.46 19 A 1 ATOM 147 C CA . LEU A 1 19 ? 9.849 7.224 10.257 1.00 93.92 19 A 1 ATOM 148 C C . LEU A 1 19 ? 11.368 7.267 10.140 1.00 93.86 19 A 1 ATOM 149 O O . LEU A 1 19 ? 12.071 7.320 11.152 1.00 92.54 19 A 1 ATOM 150 C CB . LEU A 1 19 ? 9.415 5.863 10.817 1.00 92.43 19 A 1 ATOM 151 C CG . LEU A 1 19 ? 7.927 5.748 11.143 1.00 87.73 19 A 1 ATOM 152 C CD1 . LEU A 1 19 ? 7.592 4.324 11.566 1.00 82.03 19 A 1 ATOM 153 C CD2 . LEU A 1 19 ? 7.543 6.723 12.239 1.00 79.60 19 A 1 ATOM 154 N N . SER A 1 20 ? 11.857 7.242 8.915 1.00 91.61 20 A 1 ATOM 155 C CA . SER A 1 20 ? 13.293 7.248 8.657 1.00 88.61 20 A 1 ATOM 156 C C . SER A 1 20 ? 13.916 8.576 9.088 1.00 83.75 20 A 1 ATOM 157 O O . SER A 1 20 ? 14.844 8.560 9.917 1.00 77.24 20 A 1 ATOM 158 C CB . SER A 1 20 ? 13.572 6.986 7.178 1.00 84.38 20 A 1 ATOM 159 O OG . SER A 1 20 ? 13.072 5.720 6.792 1.00 75.72 20 A 1 ATOM 160 O OXT . SER A 1 20 ? 13.498 9.622 8.613 1.00 78.33 20 A 1 #