# 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_spkb36365 # _entry.id spkb36365 # 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 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" "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 LYS 2 1 n LYS 3 1 n LEU 4 1 n PHE 5 1 n LEU 6 1 n VAL 7 1 n ILE 8 1 n VAL 9 1 n PRO 10 1 n LEU 11 1 n LEU 12 1 n LEU 13 1 n SER 14 1 n LEU 15 1 n LEU 16 1 n ALA 17 1 n THR 18 1 n SER 19 # _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 21:33:13)" _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 92.05 _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 87.41 1 1 A LYS 2 2 86.62 1 2 A LYS 3 2 88.95 1 3 A LEU 4 2 91.99 1 4 A PHE 5 2 91.82 1 5 A LEU 6 2 93.14 1 6 A VAL 7 2 96.58 1 7 A ILE 8 2 95.64 1 8 A VAL 9 2 96.17 1 9 A PRO 10 2 96.66 1 10 A LEU 11 2 93.60 1 11 A LEU 12 2 94.31 1 12 A LEU 13 2 93.50 1 13 A SER 14 2 95.09 1 14 A LEU 15 2 93.46 1 15 A LEU 16 2 92.11 1 16 A ALA 17 2 96.18 1 17 A THR 18 2 89.88 1 18 A SER 19 2 79.06 1 19 # _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 LYS . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n PHE . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n VAL . 7 A 7 A 8 1 n ILE . 8 A 8 A 9 1 n VAL . 9 A 9 A 10 1 n PRO . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n SER . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n ALA . 17 A 17 A 18 1 n THR . 18 A 18 A 19 1 n SER . 19 A 19 # _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 ? -12.964 2.232 5.153 1.00 92.56 1 A 1 ATOM 2 C CA . MET A 1 1 ? -12.321 2.195 3.822 1.00 94.36 1 A 1 ATOM 3 C C . MET A 1 1 ? -11.069 1.317 3.855 1.00 94.12 1 A 1 ATOM 4 O O . MET A 1 1 ? -9.947 1.812 3.945 1.00 92.24 1 A 1 ATOM 5 C CB . MET A 1 1 ? -11.934 3.596 3.384 1.00 90.38 1 A 1 ATOM 6 C CG . MET A 1 1 ? -13.021 4.608 3.619 1.00 83.57 1 A 1 ATOM 7 S SD . MET A 1 1 ? -12.558 6.239 3.054 1.00 80.62 1 A 1 ATOM 8 C CE . MET A 1 1 ? -13.479 7.241 4.198 1.00 71.39 1 A 1 ATOM 9 N N . LYS A 1 2 ? -11.261 0.009 3.781 1.00 94.50 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -10.145 -0.934 3.829 1.00 94.55 2 A 1 ATOM 11 C C . LYS A 1 2 ? -9.319 -0.904 2.542 1.00 94.91 2 A 1 ATOM 12 O O . LYS A 1 2 ? -8.104 -1.098 2.579 1.00 93.71 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -10.671 -2.352 4.072 1.00 92.62 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -10.778 -2.712 5.537 1.00 84.61 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -12.087 -2.236 6.142 1.00 82.12 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -12.184 -2.586 7.600 1.00 74.99 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -13.369 -3.407 7.918 1.00 67.61 2 A 1 ATOM 18 N N . LYS A 1 3 ? -9.992 -0.668 1.418 1.00 95.34 3 A 1 ATOM 19 C CA . LYS A 1 3 ? -9.307 -0.622 0.125 1.00 96.47 3 A 1 ATOM 20 C C . LYS A 1 3 ? -8.274 0.499 0.093 1.00 96.91 3 A 1 ATOM 21 O O . LYS A 1 3 ? -7.146 0.297 -0.358 1.00 95.56 3 A 1 ATOM 22 C CB . LYS A 1 3 ? -10.322 -0.431 -0.998 1.00 95.57 3 A 1 ATOM 23 C CG . LYS A 1 3 ? -11.034 -1.716 -1.380 1.00 88.92 3 A 1 ATOM 24 C CD . LYS A 1 3 ? -10.140 -2.604 -2.219 1.00 84.59 3 A 1 ATOM 25 C CE . LYS A 1 3 ? -10.885 -3.817 -2.725 1.00 77.55 3 A 1 ATOM 26 N NZ . LYS A 1 3 ? -10.007 -4.725 -3.489 1.00 69.64 3 A 1 ATOM 27 N N . LEU A 1 4 ? -8.650 1.673 0.573 1.00 95.43 4 A 1 ATOM 28 C CA . LEU A 1 4 ? -7.752 2.821 0.609 1.00 96.00 4 A 1 ATOM 29 C C . LEU A 1 4 ? -6.563 2.556 1.524 1.00 96.79 4 A 1 ATOM 30 O O . LEU A 1 4 ? -5.439 2.956 1.225 1.00 96.08 4 A 1 ATOM 31 C CB . LEU A 1 4 ? -8.512 4.061 1.073 1.00 95.41 4 A 1 ATOM 32 C CG . LEU A 1 4 ? -7.732 5.363 0.934 1.00 89.02 4 A 1 ATOM 33 C CD1 . LEU A 1 4 ? -7.509 5.685 -0.541 1.00 84.02 4 A 1 ATOM 34 C CD2 . LEU A 1 4 ? -8.464 6.501 1.620 1.00 83.17 4 A 1 ATOM 35 N N . PHE A 1 5 ? -6.812 1.876 2.623 1.00 94.87 5 A 1 ATOM 36 C CA . PHE A 1 5 ? -5.766 1.533 3.578 1.00 95.54 5 A 1 ATOM 37 C C . PHE A 1 5 ? -4.728 0.616 2.942 1.00 96.30 5 A 1 ATOM 38 O O . PHE A 1 5 ? -3.529 0.759 3.188 1.00 95.56 5 A 1 ATOM 39 C CB . PHE A 1 5 ? -6.387 0.853 4.797 1.00 95.16 5 A 1 ATOM 40 C CG . PHE A 1 5 ? -5.405 0.674 5.922 1.00 91.80 5 A 1 ATOM 41 C CD1 . PHE A 1 5 ? -4.887 1.772 6.584 1.00 87.93 5 A 1 ATOM 42 C CD2 . PHE A 1 5 ? -5.003 -0.595 6.297 1.00 88.38 5 A 1 ATOM 43 C CE1 . PHE A 1 5 ? -3.980 1.615 7.615 1.00 87.18 5 A 1 ATOM 44 C CE2 . PHE A 1 5 ? -4.090 -0.759 7.333 1.00 88.59 5 A 1 ATOM 45 C CZ . PHE A 1 5 ? -3.581 0.345 7.989 1.00 88.68 5 A 1 ATOM 46 N N . LEU A 1 6 ? -5.196 -0.307 2.117 1.00 96.99 6 A 1 ATOM 47 C CA . LEU A 1 6 ? -4.311 -1.242 1.431 1.00 97.15 6 A 1 ATOM 48 C C . LEU A 1 6 ? -3.463 -0.543 0.371 1.00 97.46 6 A 1 ATOM 49 O O . LEU A 1 6 ? -2.474 -1.101 -0.102 1.00 96.93 6 A 1 ATOM 50 C CB . LEU A 1 6 ? -5.133 -2.357 0.779 1.00 96.74 6 A 1 ATOM 51 C CG . LEU A 1 6 ? -5.689 -3.391 1.756 1.00 87.73 6 A 1 ATOM 52 C CD1 . LEU A 1 6 ? -6.692 -4.292 1.054 1.00 85.58 6 A 1 ATOM 53 C CD2 . LEU A 1 6 ? -4.561 -4.228 2.346 1.00 86.56 6 A 1 ATOM 54 N N . VAL A 1 7 ? -3.849 0.661 -0.002 1.00 97.60 7 A 1 ATOM 55 C CA . VAL A 1 7 ? -3.111 1.436 -0.997 1.00 97.60 7 A 1 ATOM 56 C C . VAL A 1 7 ? -2.062 2.325 -0.329 1.00 97.74 7 A 1 ATOM 57 O O . VAL A 1 7 ? -0.975 2.538 -0.871 1.00 97.04 7 A 1 ATOM 58 C CB . VAL A 1 7 ? -4.072 2.300 -1.831 1.00 97.15 7 A 1 ATOM 59 C CG1 . VAL A 1 7 ? -3.309 3.109 -2.864 1.00 94.53 7 A 1 ATOM 60 C CG2 . VAL A 1 7 ? -5.110 1.432 -2.514 1.00 94.40 7 A 1 ATOM 61 N N . ILE A 1 8 ? -2.387 2.832 0.834 1.00 97.19 8 A 1 ATOM 62 C CA . ILE A 1 8 ? -1.489 3.719 1.569 1.00 97.22 8 A 1 ATOM 63 C C . ILE A 1 8 ? -0.325 2.952 2.188 1.00 97.32 8 A 1 ATOM 64 O O . ILE A 1 8 ? 0.809 3.435 2.203 1.00 96.87 8 A 1 ATOM 65 C CB . ILE A 1 8 ? -2.256 4.477 2.668 1.00 97.15 8 A 1 ATOM 66 C CG1 . ILE A 1 8 ? -3.394 5.304 2.068 1.00 95.12 8 A 1 ATOM 67 C CG2 . ILE A 1 8 ? -1.305 5.392 3.435 1.00 94.09 8 A 1 ATOM 68 C CD1 . ILE A 1 8 ? -4.426 5.721 3.092 1.00 90.19 8 A 1 ATOM 69 N N . VAL A 1 9 ? -0.614 1.776 2.698 1.00 97.49 9 A 1 ATOM 70 C CA . VAL A 1 9 ? 0.406 0.940 3.336 1.00 97.35 9 A 1 ATOM 71 C C . VAL A 1 9 ? 1.558 0.595 2.384 1.00 97.54 9 A 1 ATOM 72 O O . VAL A 1 9 ? 2.721 0.832 2.718 1.00 97.06 9 A 1 ATOM 73 C CB . VAL A 1 9 ? -0.227 -0.341 3.920 1.00 96.62 9 A 1 ATOM 74 C CG1 . VAL A 1 9 ? 0.842 -1.320 4.373 1.00 93.56 9 A 1 ATOM 75 C CG2 . VAL A 1 9 ? -1.134 0.005 5.084 1.00 93.58 9 A 1 ATOM 76 N N . PRO A 1 10 ? 1.259 0.027 1.217 1.00 97.38 10 A 1 ATOM 77 C CA . PRO A 1 10 ? 2.320 -0.334 0.263 1.00 97.12 10 A 1 ATOM 78 C C . PRO A 1 10 ? 3.049 0.883 -0.289 1.00 97.33 10 A 1 ATOM 79 O O . PRO A 1 10 ? 4.250 0.831 -0.544 1.00 96.42 10 A 1 ATOM 80 C CB . PRO A 1 10 ? 1.564 -1.066 -0.853 1.00 96.22 10 A 1 ATOM 81 C CG . PRO A 1 10 ? 0.169 -0.587 -0.747 1.00 95.26 10 A 1 ATOM 82 C CD . PRO A 1 10 ? -0.063 -0.309 0.712 1.00 96.91 10 A 1 ATOM 83 N N . LEU A 1 11 ? 2.340 1.971 -0.473 1.00 96.75 11 A 1 ATOM 84 C CA . LEU A 1 11 ? 2.929 3.206 -0.978 1.00 96.73 11 A 1 ATOM 85 C C . LEU A 1 11 ? 3.938 3.768 0.016 1.00 97.19 11 A 1 ATOM 86 O O . LEU A 1 11 ? 5.038 4.171 -0.365 1.00 96.50 11 A 1 ATOM 87 C CB . LEU A 1 11 ? 1.829 4.235 -1.241 1.00 96.41 11 A 1 ATOM 88 C CG . LEU A 1 11 ? 2.256 5.364 -2.176 1.00 90.27 11 A 1 ATOM 89 C CD1 . LEU A 1 11 ? 2.221 4.886 -3.623 1.00 86.57 11 A 1 ATOM 90 C CD2 . LEU A 1 11 ? 1.352 6.569 -1.996 1.00 88.36 11 A 1 ATOM 91 N N . LEU A 1 12 ? 3.567 3.784 1.274 1.00 96.81 12 A 1 ATOM 92 C CA . LEU A 1 12 ? 4.439 4.276 2.332 1.00 96.83 12 A 1 ATOM 93 C C . LEU A 1 12 ? 5.643 3.369 2.515 1.00 97.11 12 A 1 ATOM 94 O O . LEU A 1 12 ? 6.762 3.841 2.730 1.00 96.68 12 A 1 ATOM 95 C CB . LEU A 1 12 ? 3.652 4.370 3.639 1.00 96.52 12 A 1 ATOM 96 C CG . LEU A 1 12 ? 3.302 5.795 4.050 1.00 92.68 12 A 1 ATOM 97 C CD1 . LEU A 1 12 ? 2.215 5.791 5.112 1.00 88.72 12 A 1 ATOM 98 C CD2 . LEU A 1 12 ? 4.543 6.499 4.582 1.00 89.16 12 A 1 ATOM 99 N N . LEU A 1 13 ? 5.406 2.078 2.426 1.00 97.24 13 A 1 ATOM 100 C CA . LEU A 1 13 ? 6.467 1.086 2.583 1.00 96.91 13 A 1 ATOM 101 C C . LEU A 1 13 ? 7.497 1.218 1.469 1.00 97.24 13 A 1 ATOM 102 O O . LEU A 1 13 ? 8.704 1.140 1.714 1.00 96.62 13 A 1 ATOM 103 C CB . LEU A 1 13 ? 5.857 -0.316 2.589 1.00 96.23 13 A 1 ATOM 104 C CG . LEU A 1 13 ? 6.389 -1.220 3.698 1.00 90.39 13 A 1 ATOM 105 C CD1 . LEU A 1 13 ? 5.381 -2.306 4.025 1.00 85.82 13 A 1 ATOM 106 C CD2 . LEU A 1 13 ? 7.711 -1.835 3.308 1.00 87.52 13 A 1 ATOM 107 N N . SER A 1 14 ? 7.032 1.424 0.253 1.00 97.01 14 A 1 ATOM 108 C CA . SER A 1 14 ? 7.912 1.575 -0.904 1.00 96.85 14 A 1 ATOM 109 C C . SER A 1 14 ? 8.733 2.858 -0.802 1.00 97.02 14 A 1 ATOM 110 O O . SER A 1 14 ? 9.936 2.855 -1.048 1.00 95.70 14 A 1 ATOM 111 C CB . SER A 1 14 ? 7.093 1.578 -2.191 1.00 96.04 14 A 1 ATOM 112 O OG . SER A 1 14 ? 6.549 0.303 -2.443 1.00 87.93 14 A 1 ATOM 113 N N . LEU A 1 15 ? 8.085 3.938 -0.436 1.00 96.69 15 A 1 ATOM 114 C CA . LEU A 1 15 ? 8.750 5.228 -0.290 1.00 96.37 15 A 1 ATOM 115 C C . LEU A 1 15 ? 9.762 5.205 0.847 1.00 96.76 15 A 1 ATOM 116 O O . LEU A 1 15 ? 10.856 5.755 0.721 1.00 95.69 15 A 1 ATOM 117 C CB . LEU A 1 15 ? 7.709 6.314 -0.043 1.00 95.94 15 A 1 ATOM 118 C CG . LEU A 1 15 ? 8.248 7.733 -0.172 1.00 91.42 15 A 1 ATOM 119 C CD1 . LEU A 1 15 ? 8.508 8.065 -1.634 1.00 86.94 15 A 1 ATOM 120 C CD2 . LEU A 1 15 ? 7.277 8.725 0.433 1.00 87.87 15 A 1 ATOM 121 N N . LEU A 1 16 ? 9.405 4.571 1.932 1.00 96.66 16 A 1 ATOM 122 C CA . LEU A 1 16 ? 10.279 4.462 3.097 1.00 96.17 16 A 1 ATOM 123 C C . LEU A 1 16 ? 11.478 3.574 2.808 1.00 96.31 16 A 1 ATOM 124 O O . LEU A 1 16 ? 12.588 3.833 3.281 1.00 95.36 16 A 1 ATOM 125 C CB . LEU A 1 16 ? 9.484 3.916 4.286 1.00 95.41 16 A 1 ATOM 126 C CG . LEU A 1 16 ? 9.951 4.439 5.639 1.00 89.65 16 A 1 ATOM 127 C CD1 . LEU A 1 16 ? 8.788 4.472 6.617 1.00 82.61 16 A 1 ATOM 128 C CD2 . LEU A 1 16 ? 11.071 3.585 6.195 1.00 84.70 16 A 1 ATOM 129 N N . ALA A 1 17 ? 11.265 2.532 2.026 1.00 97.21 17 A 1 ATOM 130 C CA . ALA A 1 17 ? 12.327 1.594 1.671 1.00 96.84 17 A 1 ATOM 131 C C . ALA A 1 17 ? 13.319 2.214 0.692 1.00 96.51 17 A 1 ATOM 132 O O . ALA A 1 17 ? 14.506 1.899 0.723 1.00 94.70 17 A 1 ATOM 133 C CB . ALA A 1 17 ? 11.721 0.329 1.079 1.00 95.65 17 A 1 ATOM 134 N N . THR A 1 18 ? 12.836 3.087 -0.181 1.00 96.43 18 A 1 ATOM 135 C CA . THR A 1 18 ? 13.682 3.735 -1.178 1.00 94.46 18 A 1 ATOM 136 C C . THR A 1 18 ? 13.931 5.209 -0.847 1.00 91.95 18 A 1 ATOM 137 O O . THR A 1 18 ? 14.096 6.048 -1.733 1.00 85.58 18 A 1 ATOM 138 C CB . THR A 1 18 ? 13.066 3.601 -2.576 1.00 92.16 18 A 1 ATOM 139 O OG1 . THR A 1 18 ? 14.000 4.055 -3.556 1.00 85.36 18 A 1 ATOM 140 C CG2 . THR A 1 18 ? 11.782 4.400 -2.701 1.00 83.22 18 A 1 ATOM 141 N N . SER A 1 19 ? 13.967 5.507 0.419 1.00 90.79 19 A 1 ATOM 142 C CA . SER A 1 19 ? 14.168 6.885 0.848 1.00 85.68 19 A 1 ATOM 143 C C . SER A 1 19 ? 15.356 6.977 1.803 1.00 79.21 19 A 1 ATOM 144 O O . SER A 1 19 ? 16.354 7.632 1.464 1.00 72.86 19 A 1 ATOM 145 C CB . SER A 1 19 ? 12.903 7.427 1.514 1.00 79.91 19 A 1 ATOM 146 O OG . SER A 1 19 ? 13.040 8.800 1.791 1.00 72.11 19 A 1 ATOM 147 O OXT . SER A 1 19 ? 15.258 6.397 2.873 1.00 72.85 19 A 1 #