# 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_spkb16068 # _entry.id spkb16068 # 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" "C6 H15 N4 O2" 175.209 ARG y ARGININE C(C[C@@H](C(=O)O)N)CNC(=[NH2+])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" "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" "C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N ? "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 THR 2 1 n ARG 3 1 n LEU 4 1 n TRP 5 1 n ALA 6 1 n SER 7 1 n LEU 8 1 n LEU 9 1 n THR 10 1 n VAL 11 1 n ILE 12 1 n ILE 13 1 n TYR 14 1 n ILE 15 1 n LEU 16 1 n SER 17 # _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 22:30:57)" _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 95.03 _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 87.58 1 1 A THR 2 2 93.57 1 2 A ARG 3 2 87.70 1 3 A LEU 4 2 95.62 1 4 A TRP 5 2 93.12 1 5 A ALA 6 2 98.14 1 6 A SER 7 2 96.91 1 7 A LEU 8 2 96.62 1 8 A LEU 9 2 96.38 1 9 A THR 10 2 97.15 1 10 A VAL 11 2 98.06 1 11 A ILE 12 2 97.63 1 12 A ILE 13 2 97.19 1 13 A TYR 14 2 96.22 1 14 A ILE 15 2 97.84 1 15 A LEU 16 2 97.43 1 16 A SER 17 2 93.99 1 17 # _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 THR . 2 A 2 A 3 1 n ARG . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n TRP . 5 A 5 A 6 1 n ALA . 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 THR . 10 A 10 A 11 1 n VAL . 11 A 11 A 12 1 n ILE . 12 A 12 A 13 1 n ILE . 13 A 13 A 14 1 n TYR . 14 A 14 A 15 1 n ILE . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n SER . 17 A 17 # _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 ? -12.043 -2.566 5.953 1.00 93.38 1 A 1 ATOM 2 C CA . MET A 1 1 ? -11.484 -1.609 4.998 1.00 94.13 1 A 1 ATOM 3 C C . MET A 1 1 ? -10.011 -1.306 5.307 1.00 94.60 1 A 1 ATOM 4 O O . MET A 1 1 ? -9.674 -0.214 5.753 1.00 93.42 1 A 1 ATOM 5 C CB . MET A 1 1 ? -12.298 -0.321 5.013 1.00 90.41 1 A 1 ATOM 6 C CG . MET A 1 1 ? -12.514 0.252 6.398 1.00 83.51 1 A 1 ATOM 7 S SD . MET A 1 1 ? -13.629 1.663 6.381 1.00 79.67 1 A 1 ATOM 8 C CE . MET A 1 1 ? -15.184 0.823 6.471 1.00 71.49 1 A 1 ATOM 9 N N . THR A 1 2 ? -9.171 -2.282 5.079 1.00 95.69 2 A 1 ATOM 10 C CA . THR A 1 2 ? -7.745 -2.139 5.349 1.00 96.45 2 A 1 ATOM 11 C C . THR A 1 2 ? -6.905 -2.357 4.093 1.00 96.73 2 A 1 ATOM 12 O O . THR A 1 2 ? -5.686 -2.169 4.114 1.00 95.08 2 A 1 ATOM 13 C CB . THR A 1 2 ? -7.297 -3.124 6.436 1.00 94.89 2 A 1 ATOM 14 O OG1 . THR A 1 2 ? -7.819 -4.416 6.158 1.00 88.90 2 A 1 ATOM 15 C CG2 . THR A 1 2 ? -7.753 -2.664 7.801 1.00 87.22 2 A 1 ATOM 16 N N . ARG A 1 3 ? -7.574 -2.748 3.026 1.00 96.88 3 A 1 ATOM 17 C CA . ARG A 1 3 ? -6.894 -3.006 1.759 1.00 97.22 3 A 1 ATOM 18 C C . ARG A 1 3 ? -6.296 -1.728 1.194 1.00 97.72 3 A 1 ATOM 19 O O . ARG A 1 3 ? -5.161 -1.720 0.721 1.00 96.78 3 A 1 ATOM 20 C CB . ARG A 1 3 ? -7.880 -3.623 0.765 1.00 95.90 3 A 1 ATOM 21 C CG . ARG A 1 3 ? -7.243 -4.074 -0.532 1.00 89.15 3 A 1 ATOM 22 C CD . ARG A 1 3 ? -6.744 -5.501 -0.443 1.00 87.62 3 A 1 ATOM 23 N NE . ARG A 1 3 ? -5.298 -5.586 -0.590 1.00 81.60 3 A 1 ATOM 24 C CZ . ARG A 1 3 ? -4.627 -6.732 -0.627 1.00 78.07 3 A 1 ATOM 25 N NH1 . ARG A 1 3 ? -5.262 -7.885 -0.542 1.00 71.86 3 A 1 ATOM 26 N NH2 . ARG A 1 3 ? -3.312 -6.719 -0.755 1.00 71.89 3 A 1 ATOM 27 N N . LEU A 1 4 ? -7.069 -0.664 1.249 1.00 97.61 4 A 1 ATOM 28 C CA . LEU A 1 4 ? -6.624 0.630 0.756 1.00 97.81 4 A 1 ATOM 29 C C . LEU A 1 4 ? -5.494 1.182 1.615 1.00 98.05 4 A 1 ATOM 30 O O . LEU A 1 4 ? -4.589 1.849 1.118 1.00 97.85 4 A 1 ATOM 31 C CB . LEU A 1 4 ? -7.791 1.615 0.729 1.00 97.66 4 A 1 ATOM 32 C CG . LEU A 1 4 ? -7.922 2.393 -0.575 1.00 95.03 4 A 1 ATOM 33 C CD1 . LEU A 1 4 ? -8.574 1.531 -1.645 1.00 90.48 4 A 1 ATOM 34 C CD2 . LEU A 1 4 ? -8.709 3.663 -0.354 1.00 90.44 4 A 1 ATOM 35 N N . TRP A 1 5 ? -5.563 0.887 2.901 1.00 97.74 5 A 1 ATOM 36 C CA . TRP A 1 5 ? -4.550 1.343 3.840 1.00 97.80 5 A 1 ATOM 37 C C . TRP A 1 5 ? -3.217 0.686 3.529 1.00 98.04 5 A 1 ATOM 38 O O . TRP A 1 5 ? -2.165 1.316 3.648 1.00 97.76 5 A 1 ATOM 39 C CB . TRP A 1 5 ? -4.984 1.019 5.276 1.00 97.28 5 A 1 ATOM 40 C CG . TRP A 1 5 ? -5.736 2.134 5.934 1.00 95.00 5 A 1 ATOM 41 C CD1 . TRP A 1 5 ? -5.484 2.666 7.165 1.00 91.23 5 A 1 ATOM 42 C CD2 . TRP A 1 5 ? -6.854 2.861 5.415 1.00 93.37 5 A 1 ATOM 43 N NE1 . TRP A 1 5 ? -6.373 3.668 7.439 1.00 90.05 5 A 1 ATOM 44 C CE2 . TRP A 1 5 ? -7.236 3.815 6.381 1.00 92.44 5 A 1 ATOM 45 C CE3 . TRP A 1 5 ? -7.587 2.812 4.235 1.00 88.87 5 A 1 ATOM 46 C CZ2 . TRP A 1 5 ? -8.303 4.689 6.181 1.00 89.76 5 A 1 ATOM 47 C CZ3 . TRP A 1 5 ? -8.649 3.687 4.039 1.00 87.07 5 A 1 ATOM 48 C CH2 . TRP A 1 5 ? -8.997 4.609 5.007 1.00 87.23 5 A 1 ATOM 49 N N . ALA A 1 6 ? -3.266 -0.566 3.141 1.00 98.30 6 A 1 ATOM 50 C CA . ALA A 1 6 ? -2.064 -1.307 2.789 1.00 98.23 6 A 1 ATOM 51 C C . ALA A 1 6 ? -1.399 -0.706 1.558 1.00 98.35 6 A 1 ATOM 52 O O . ALA A 1 6 ? -0.172 -0.611 1.491 1.00 98.09 6 A 1 ATOM 53 C CB . ALA A 1 6 ? -2.410 -2.764 2.544 1.00 97.74 6 A 1 ATOM 54 N N . SER A 1 7 ? -2.224 -0.304 0.603 1.00 98.22 7 A 1 ATOM 55 C CA . SER A 1 7 ? -1.729 0.309 -0.623 1.00 98.36 7 A 1 ATOM 56 C C . SER A 1 7 ? -1.084 1.657 -0.335 1.00 98.54 7 A 1 ATOM 57 O O . SER A 1 7 ? -0.031 1.984 -0.884 1.00 98.07 7 A 1 ATOM 58 C CB . SER A 1 7 ? -2.865 0.481 -1.625 1.00 97.94 7 A 1 ATOM 59 O OG . SER A 1 7 ? -3.362 -0.771 -2.043 1.00 90.35 7 A 1 ATOM 60 N N . LEU A 1 8 ? -1.721 2.410 0.536 1.00 98.41 8 A 1 ATOM 61 C CA . LEU A 1 8 ? -1.210 3.718 0.920 1.00 98.51 8 A 1 ATOM 62 C C . LEU A 1 8 ? 0.120 3.587 1.648 1.00 98.63 8 A 1 ATOM 63 O O . LEU A 1 8 ? 1.058 4.339 1.382 1.00 98.53 8 A 1 ATOM 64 C CB . LEU A 1 8 ? -2.222 4.436 1.813 1.00 98.42 8 A 1 ATOM 65 C CG . LEU A 1 8 ? -1.988 5.932 1.970 1.00 95.18 8 A 1 ATOM 66 C CD1 . LEU A 1 8 ? -2.430 6.672 0.710 1.00 91.70 8 A 1 ATOM 67 C CD2 . LEU A 1 8 ? -2.721 6.467 3.181 1.00 93.58 8 A 1 ATOM 68 N N . LEU A 1 9 ? 0.191 2.635 2.557 1.00 98.47 9 A 1 ATOM 69 C CA . LEU A 1 9 ? 1.408 2.391 3.321 1.00 98.47 9 A 1 ATOM 70 C C . LEU A 1 9 ? 2.547 1.957 2.412 1.00 98.58 9 A 1 ATOM 71 O O . LEU A 1 9 ? 3.707 2.302 2.652 1.00 98.49 9 A 1 ATOM 72 C CB . LEU A 1 9 ? 1.151 1.320 4.381 1.00 98.29 9 A 1 ATOM 73 C CG . LEU A 1 9 ? 0.564 1.847 5.685 1.00 94.67 9 A 1 ATOM 74 C CD1 . LEU A 1 9 ? -0.105 0.731 6.467 1.00 91.25 9 A 1 ATOM 75 C CD2 . LEU A 1 9 ? 1.655 2.496 6.525 1.00 92.78 9 A 1 ATOM 76 N N . THR A 1 10 ? 2.212 1.208 1.386 1.00 98.40 10 A 1 ATOM 77 C CA . THR A 1 10 ? 3.202 0.734 0.426 1.00 98.39 10 A 1 ATOM 78 C C . THR A 1 10 ? 3.867 1.908 -0.285 1.00 98.57 10 A 1 ATOM 79 O O . THR A 1 10 ? 5.083 1.919 -0.485 1.00 98.27 10 A 1 ATOM 80 C CB . THR A 1 10 ? 2.556 -0.196 -0.607 1.00 97.96 10 A 1 ATOM 81 O OG1 . THR A 1 10 ? 1.867 -1.251 0.057 1.00 94.62 10 A 1 ATOM 82 C CG2 . THR A 1 10 ? 3.606 -0.797 -1.523 1.00 93.81 10 A 1 ATOM 83 N N . VAL A 1 11 ? 3.068 2.885 -0.654 1.00 98.52 11 A 1 ATOM 84 C CA . VAL A 1 11 ? 3.576 4.069 -1.335 1.00 98.56 11 A 1 ATOM 85 C C . VAL A 1 11 ? 4.427 4.910 -0.387 1.00 98.72 11 A 1 ATOM 86 O O . VAL A 1 11 ? 5.456 5.460 -0.785 1.00 98.56 11 A 1 ATOM 87 C CB . VAL A 1 11 ? 2.427 4.926 -1.900 1.00 98.28 11 A 1 ATOM 88 C CG1 . VAL A 1 11 ? 2.968 6.137 -2.643 1.00 96.96 11 A 1 ATOM 89 C CG2 . VAL A 1 11 ? 1.548 4.097 -2.816 1.00 96.85 11 A 1 ATOM 90 N N . ILE A 1 12 ? 3.984 4.992 0.854 1.00 98.47 12 A 1 ATOM 91 C CA . ILE A 1 12 ? 4.694 5.766 1.865 1.00 98.50 12 A 1 ATOM 92 C C . ILE A 1 12 ? 6.091 5.203 2.097 1.00 98.63 12 A 1 ATOM 93 O O . ILE A 1 12 ? 7.077 5.939 2.105 1.00 98.52 12 A 1 ATOM 94 C CB . ILE A 1 12 ? 3.912 5.794 3.193 1.00 98.41 12 A 1 ATOM 95 C CG1 . ILE A 1 12 ? 2.546 6.471 3.001 1.00 97.34 12 A 1 ATOM 96 C CG2 . ILE A 1 12 ? 4.715 6.517 4.273 1.00 97.07 12 A 1 ATOM 97 C CD1 . ILE A 1 12 ? 2.629 7.926 2.611 1.00 94.10 12 A 1 ATOM 98 N N . ILE A 1 13 ? 6.160 3.904 2.301 1.00 98.57 13 A 1 ATOM 99 C CA . ILE A 1 13 ? 7.438 3.244 2.535 1.00 98.50 13 A 1 ATOM 100 C C . ILE A 1 13 ? 8.315 3.281 1.286 1.00 98.58 13 A 1 ATOM 101 O O . ILE A 1 13 ? 9.543 3.295 1.381 1.00 98.30 13 A 1 ATOM 102 C CB . ILE A 1 13 ? 7.246 1.784 2.996 1.00 98.25 13 A 1 ATOM 103 C CG1 . ILE A 1 13 ? 6.347 1.012 2.033 1.00 96.37 13 A 1 ATOM 104 C CG2 . ILE A 1 13 ? 6.691 1.752 4.415 1.00 96.15 13 A 1 ATOM 105 C CD1 . ILE A 1 13 ? 6.369 -0.480 2.240 1.00 92.83 13 A 1 ATOM 106 N N . TYR A 1 14 ? 7.681 3.297 0.140 1.00 98.60 14 A 1 ATOM 107 C CA . TYR A 1 14 ? 8.388 3.347 -1.135 1.00 98.59 14 A 1 ATOM 108 C C . TYR A 1 14 ? 9.122 4.678 -1.289 1.00 98.68 14 A 1 ATOM 109 O O . TYR A 1 14 ? 10.247 4.722 -1.793 1.00 98.45 14 A 1 ATOM 110 C CB . TYR A 1 14 ? 7.403 3.149 -2.286 1.00 98.43 14 A 1 ATOM 111 C CG . TYR A 1 14 ? 8.082 2.795 -3.592 1.00 96.40 14 A 1 ATOM 112 C CD1 . TYR A 1 14 ? 8.572 1.512 -3.814 1.00 94.83 14 A 1 ATOM 113 C CD2 . TYR A 1 14 ? 8.222 3.739 -4.598 1.00 94.67 14 A 1 ATOM 114 C CE1 . TYR A 1 14 ? 9.190 1.184 -5.010 1.00 93.60 14 A 1 ATOM 115 C CE2 . TYR A 1 14 ? 8.846 3.418 -5.797 1.00 94.08 14 A 1 ATOM 116 C CZ . TYR A 1 14 ? 9.326 2.138 -5.995 1.00 94.35 14 A 1 ATOM 117 O OH . TYR A 1 14 ? 9.944 1.815 -7.182 1.00 93.90 14 A 1 ATOM 118 N N . ILE A 1 15 ? 8.480 5.737 -0.858 1.00 98.69 15 A 1 ATOM 119 C CA . ILE A 1 15 ? 9.070 7.068 -0.937 1.00 98.70 15 A 1 ATOM 120 C C . ILE A 1 15 ? 10.045 7.308 0.211 1.00 98.73 15 A 1 ATOM 121 O O . ILE A 1 15 ? 11.093 7.936 0.026 1.00 98.42 15 A 1 ATOM 122 C CB . ILE A 1 15 ? 7.977 8.155 -0.930 1.00 98.54 15 A 1 ATOM 123 C CG1 . ILE A 1 15 ? 7.018 7.965 -2.103 1.00 97.33 15 A 1 ATOM 124 C CG2 . ILE A 1 15 ? 8.613 9.543 -0.993 1.00 97.00 15 A 1 ATOM 125 C CD1 . ILE A 1 15 ? 5.704 8.687 -1.930 1.00 95.33 15 A 1 ATOM 126 N N . LEU A 1 16 ? 9.673 6.817 1.382 1.00 98.74 16 A 1 ATOM 127 C CA . LEU A 1 16 ? 10.504 6.986 2.567 1.00 98.68 16 A 1 ATOM 128 C C . LEU A 1 16 ? 11.778 6.158 2.483 1.00 98.69 16 A 1 ATOM 129 O O . LEU A 1 16 ? 12.845 6.598 2.921 1.00 98.33 16 A 1 ATOM 130 C CB . LEU A 1 16 ? 9.714 6.605 3.821 1.00 98.45 16 A 1 ATOM 131 C CG . LEU A 1 16 ? 8.758 7.688 4.317 1.00 97.06 16 A 1 ATOM 132 C CD1 . LEU A 1 16 ? 7.753 7.106 5.298 1.00 94.95 16 A 1 ATOM 133 C CD2 . LEU A 1 16 ? 9.545 8.812 4.971 1.00 94.51 16 A 1 ATOM 134 N N . SER A 1 17 ? 11.647 4.970 1.943 1.00 97.95 17 A 1 ATOM 135 C CA . SER A 1 17 ? 12.772 4.049 1.823 1.00 97.25 17 A 1 ATOM 136 C C . SER A 1 17 ? 13.397 4.137 0.434 1.00 96.24 17 A 1 ATOM 137 O O . SER A 1 17 ? 14.581 4.505 0.319 1.00 93.21 17 A 1 ATOM 138 C CB . SER A 1 17 ? 12.316 2.618 2.137 1.00 95.28 17 A 1 ATOM 139 O OG . SER A 1 17 ? 13.413 1.798 2.453 1.00 88.80 17 A 1 ATOM 140 O OXT . SER A 1 17 ? 12.700 3.849 -0.525 1.00 89.23 17 A 1 #