# 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_spkb25473 # _entry.id spkb25473 # 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" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=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" "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" "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 ARG 2 1 n THR 3 1 n TYR 4 1 n SER 5 1 n ASN 6 1 n LYS 7 1 n LEU 8 1 n ILE 9 1 n ALA 10 1 n ILE 11 1 n MET 12 1 n SER 13 1 n VAL 14 1 n LEU 15 1 n LEU 16 1 n LEU 17 1 n ALA 18 # _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 01:17:57)" _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 92.11 _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 83.97 1 1 A ARG 2 2 80.91 1 2 A THR 3 2 90.24 1 3 A TYR 4 2 91.86 1 4 A SER 5 2 93.80 1 5 A ASN 6 2 92.32 1 6 A LYS 7 2 90.90 1 7 A LEU 8 2 94.30 1 8 A ILE 9 2 95.08 1 9 A ALA 10 2 97.05 1 10 A ILE 11 2 95.75 1 11 A MET 12 2 92.44 1 12 A SER 13 2 95.81 1 13 A VAL 14 2 96.18 1 14 A LEU 15 2 95.72 1 15 A LEU 16 2 94.50 1 16 A LEU 17 2 93.36 1 17 A ALA 18 2 91.67 1 18 # _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 ARG . 2 A 2 A 3 1 n THR . 3 A 3 A 4 1 n TYR . 4 A 4 A 5 1 n SER . 5 A 5 A 6 1 n ASN . 6 A 6 A 7 1 n LYS . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n ILE . 9 A 9 A 10 1 n ALA . 10 A 10 A 11 1 n ILE . 11 A 11 A 12 1 n MET . 12 A 12 A 13 1 n SER . 13 A 13 A 14 1 n VAL . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n ALA . 18 A 18 # _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 ? -13.328 9.507 1.839 1.00 89.21 1 A 1 ATOM 2 C CA . MET A 1 1 ? -12.014 8.976 2.249 1.00 90.53 1 A 1 ATOM 3 C C . MET A 1 1 ? -11.338 8.213 1.112 1.00 91.10 1 A 1 ATOM 4 O O . MET A 1 1 ? -11.946 7.948 0.083 1.00 87.94 1 A 1 ATOM 5 C CB . MET A 1 1 ? -12.183 8.032 3.442 1.00 86.23 1 A 1 ATOM 6 C CG . MET A 1 1 ? -12.486 8.760 4.739 1.00 81.46 1 A 1 ATOM 7 S SD . MET A 1 1 ? -12.597 7.626 6.127 1.00 77.08 1 A 1 ATOM 8 C CE . MET A 1 1 ? -12.865 8.784 7.465 1.00 68.17 1 A 1 ATOM 9 N N . ARG A 1 2 ? -10.099 7.848 1.310 1.00 88.43 2 A 1 ATOM 10 C CA . ARG A 1 2 ? -9.317 7.116 0.323 1.00 92.40 2 A 1 ATOM 11 C C . ARG A 1 2 ? -8.884 5.762 0.883 1.00 93.83 2 A 1 ATOM 12 O O . ARG A 1 2 ? -7.698 5.431 0.880 1.00 91.88 2 A 1 ATOM 13 C CB . ARG A 1 2 ? -8.109 7.941 -0.110 1.00 89.37 2 A 1 ATOM 14 C CG . ARG A 1 2 ? -7.303 8.496 1.056 1.00 80.55 2 A 1 ATOM 15 C CD . ARG A 1 2 ? -6.268 9.490 0.572 1.00 79.89 2 A 1 ATOM 16 N NE . ARG A 1 2 ? -5.515 10.050 1.699 1.00 73.39 2 A 1 ATOM 17 C CZ . ARG A 1 2 ? -4.453 9.461 2.244 1.00 69.51 2 A 1 ATOM 18 N NH1 . ARG A 1 2 ? -4.015 8.300 1.784 1.00 66.17 2 A 1 ATOM 19 N NH2 . ARG A 1 2 ? -3.844 10.028 3.266 1.00 64.59 2 A 1 ATOM 20 N N . THR A 1 3 ? -9.835 5.007 1.375 1.00 92.54 3 A 1 ATOM 21 C CA . THR A 1 3 ? -9.573 3.699 1.975 1.00 93.83 3 A 1 ATOM 22 C C . THR A 1 3 ? -8.970 2.738 0.959 1.00 94.51 3 A 1 ATOM 23 O O . THR A 1 3 ? -8.005 2.037 1.258 1.00 92.66 3 A 1 ATOM 24 C CB . THR A 1 3 ? -10.862 3.093 2.548 1.00 91.83 3 A 1 ATOM 25 O OG1 . THR A 1 3 ? -11.514 4.046 3.379 1.00 83.98 3 A 1 ATOM 26 C CG2 . THR A 1 3 ? -10.561 1.855 3.370 1.00 82.32 3 A 1 ATOM 27 N N . TYR A 1 4 ? -9.538 2.719 -0.232 1.00 94.94 4 A 1 ATOM 28 C CA . TYR A 1 4 ? -9.056 1.833 -1.287 1.00 95.28 4 A 1 ATOM 29 C C . TYR A 1 4 ? -7.631 2.186 -1.698 1.00 95.80 4 A 1 ATOM 30 O O . TYR A 1 4 ? -6.792 1.305 -1.893 1.00 95.10 4 A 1 ATOM 31 C CB . TYR A 1 4 ? -9.985 1.919 -2.501 1.00 94.84 4 A 1 ATOM 32 C CG . TYR A 1 4 ? -11.401 1.501 -2.181 1.00 91.83 4 A 1 ATOM 33 C CD1 . TYR A 1 4 ? -11.724 0.154 -2.057 1.00 89.36 4 A 1 ATOM 34 C CD2 . TYR A 1 4 ? -12.396 2.447 -2.010 1.00 89.73 4 A 1 ATOM 35 C CE1 . TYR A 1 4 ? -13.019 -0.241 -1.765 1.00 88.36 4 A 1 ATOM 36 C CE2 . TYR A 1 4 ? -13.702 2.064 -1.713 1.00 89.44 4 A 1 ATOM 37 C CZ . TYR A 1 4 ? -14.003 0.715 -1.596 1.00 89.90 4 A 1 ATOM 38 O OH . TYR A 1 4 ? -15.287 0.335 -1.305 1.00 87.79 4 A 1 ATOM 39 N N . SER A 1 5 ? -7.362 3.463 -1.794 1.00 95.08 5 A 1 ATOM 40 C CA . SER A 1 5 ? -6.037 3.941 -2.177 1.00 95.72 5 A 1 ATOM 41 C C . SER A 1 5 ? -5.012 3.631 -1.092 1.00 96.31 5 A 1 ATOM 42 O O . SER A 1 5 ? -3.909 3.166 -1.378 1.00 95.44 5 A 1 ATOM 43 C CB . SER A 1 5 ? -6.078 5.439 -2.442 1.00 94.23 5 A 1 ATOM 44 O OG . SER A 1 5 ? -4.904 5.851 -3.096 1.00 86.00 5 A 1 ATOM 45 N N . ASN A 1 6 ? -5.388 3.886 0.159 1.00 95.07 6 A 1 ATOM 46 C CA . ASN A 1 6 ? -4.510 3.636 1.296 1.00 95.99 6 A 1 ATOM 47 C C . ASN A 1 6 ? -4.213 2.147 1.435 1.00 96.70 6 A 1 ATOM 48 O O . ASN A 1 6 ? -3.079 1.757 1.704 1.00 96.09 6 A 1 ATOM 49 C CB . ASN A 1 6 ? -5.151 4.166 2.583 1.00 95.15 6 A 1 ATOM 50 C CG . ASN A 1 6 ? -4.109 4.613 3.584 1.00 91.66 6 A 1 ATOM 51 O OD1 . ASN A 1 6 ? -3.835 3.928 4.551 1.00 83.69 6 A 1 ATOM 52 N ND2 . ASN A 1 6 ? -3.527 5.775 3.356 1.00 84.24 6 A 1 ATOM 53 N N . LYS A 1 7 ? -5.233 1.331 1.242 1.00 96.48 7 A 1 ATOM 54 C CA . LYS A 1 7 ? -5.080 -0.120 1.335 1.00 96.84 7 A 1 ATOM 55 C C . LYS A 1 7 ? -4.121 -0.622 0.261 1.00 97.28 7 A 1 ATOM 56 O O . LYS A 1 7 ? -3.284 -1.484 0.523 1.00 96.87 7 A 1 ATOM 57 C CB . LYS A 1 7 ? -6.443 -0.797 1.186 1.00 96.64 7 A 1 ATOM 58 C CG . LYS A 1 7 ? -7.353 -0.583 2.388 1.00 92.17 7 A 1 ATOM 59 C CD . LYS A 1 7 ? -6.971 -1.477 3.555 1.00 85.89 7 A 1 ATOM 60 C CE . LYS A 1 7 ? -7.981 -1.376 4.688 1.00 81.99 7 A 1 ATOM 61 N NZ . LYS A 1 7 ? -7.658 -2.311 5.793 1.00 73.91 7 A 1 ATOM 62 N N . LEU A 1 8 ? -4.244 -0.070 -0.924 1.00 96.61 8 A 1 ATOM 63 C CA . LEU A 1 8 ? -3.387 -0.447 -2.039 1.00 96.95 8 A 1 ATOM 64 C C . LEU A 1 8 ? -1.934 -0.103 -1.747 1.00 97.27 8 A 1 ATOM 65 O O . LEU A 1 8 ? -1.036 -0.911 -1.983 1.00 97.10 8 A 1 ATOM 66 C CB . LEU A 1 8 ? -3.854 0.265 -3.306 1.00 96.86 8 A 1 ATOM 67 C CG . LEU A 1 8 ? -4.146 -0.669 -4.469 1.00 92.84 8 A 1 ATOM 68 C CD1 . LEU A 1 8 ? -4.983 0.038 -5.516 1.00 87.89 8 A 1 ATOM 69 C CD2 . LEU A 1 8 ? -2.854 -1.171 -5.085 1.00 88.90 8 A 1 ATOM 70 N N . ILE A 1 9 ? -1.716 1.088 -1.219 1.00 96.90 9 A 1 ATOM 71 C CA . ILE A 1 9 ? -0.373 1.543 -0.876 1.00 96.86 9 A 1 ATOM 72 C C . ILE A 1 9 ? 0.207 0.678 0.235 1.00 97.08 9 A 1 ATOM 73 O O . ILE A 1 9 ? 1.390 0.331 0.207 1.00 96.61 9 A 1 ATOM 74 C CB . ILE A 1 9 ? -0.392 3.021 -0.445 1.00 96.60 9 A 1 ATOM 75 C CG1 . ILE A 1 9 ? -0.825 3.912 -1.609 1.00 94.31 9 A 1 ATOM 76 C CG2 . ILE A 1 9 ? 0.989 3.447 0.051 1.00 93.85 9 A 1 ATOM 77 C CD1 . ILE A 1 9 ? -1.320 5.275 -1.173 1.00 88.40 9 A 1 ATOM 78 N N . ALA A 1 10 ? -0.624 0.337 1.210 1.00 97.09 10 A 1 ATOM 79 C CA . ALA A 1 10 ? -0.187 -0.482 2.337 1.00 97.13 10 A 1 ATOM 80 C C . ALA A 1 10 ? 0.271 -1.858 1.864 1.00 97.45 10 A 1 ATOM 81 O O . ALA A 1 10 ? 1.313 -2.351 2.290 1.00 96.89 10 A 1 ATOM 82 C CB . ALA A 1 10 ? -1.321 -0.622 3.345 1.00 96.67 10 A 1 ATOM 83 N N . ILE A 1 11 ? -0.501 -2.457 0.984 1.00 97.12 11 A 1 ATOM 84 C CA . ILE A 1 11 ? -0.172 -3.776 0.455 1.00 97.09 11 A 1 ATOM 85 C C . ILE A 1 11 ? 1.116 -3.718 -0.358 1.00 97.42 11 A 1 ATOM 86 O O . ILE A 1 11 ? 1.982 -4.587 -0.232 1.00 96.84 11 A 1 ATOM 87 C CB . ILE A 1 11 ? -1.328 -4.319 -0.409 1.00 96.86 11 A 1 ATOM 88 C CG1 . ILE A 1 11 ? -2.575 -4.542 0.453 1.00 94.82 11 A 1 ATOM 89 C CG2 . ILE A 1 11 ? -0.919 -5.628 -1.083 1.00 94.58 11 A 1 ATOM 90 C CD1 . ILE A 1 11 ? -3.853 -4.597 -0.347 1.00 91.24 11 A 1 ATOM 91 N N . MET A 1 12 ? 1.231 -2.699 -1.177 1.00 96.87 12 A 1 ATOM 92 C CA . MET A 1 12 ? 2.419 -2.523 -2.007 1.00 96.77 12 A 1 ATOM 93 C C . MET A 1 12 ? 3.655 -2.292 -1.152 1.00 97.15 12 A 1 ATOM 94 O O . MET A 1 12 ? 4.711 -2.859 -1.417 1.00 96.52 12 A 1 ATOM 95 C CB . MET A 1 12 ? 2.223 -1.342 -2.961 1.00 96.31 12 A 1 ATOM 96 C CG . MET A 1 12 ? 1.672 -1.782 -4.301 1.00 93.25 12 A 1 ATOM 97 S SD . MET A 1 12 ? 2.925 -2.552 -5.319 1.00 84.97 12 A 1 ATOM 98 C CE . MET A 1 12 ? 1.892 -3.499 -6.423 1.00 77.70 12 A 1 ATOM 99 N N . SER A 1 13 ? 3.512 -1.471 -0.125 1.00 97.49 13 A 1 ATOM 100 C CA . SER A 1 13 ? 4.618 -1.155 0.770 1.00 97.52 13 A 1 ATOM 101 C C . SER A 1 13 ? 5.079 -2.391 1.531 1.00 97.89 13 A 1 ATOM 102 O O . SER A 1 13 ? 6.276 -2.645 1.639 1.00 97.01 13 A 1 ATOM 103 C CB . SER A 1 13 ? 4.208 -0.064 1.756 1.00 96.67 13 A 1 ATOM 104 O OG . SER A 1 13 ? 3.985 1.155 1.087 1.00 88.28 13 A 1 ATOM 105 N N . VAL A 1 14 ? 4.129 -3.150 2.050 1.00 97.55 14 A 1 ATOM 106 C CA . VAL A 1 14 ? 4.446 -4.359 2.811 1.00 97.67 14 A 1 ATOM 107 C C . VAL A 1 14 ? 5.121 -5.391 1.917 1.00 98.03 14 A 1 ATOM 108 O O . VAL A 1 14 ? 6.117 -6.004 2.304 1.00 97.19 14 A 1 ATOM 109 C CB . VAL A 1 14 ? 3.177 -4.955 3.446 1.00 96.86 14 A 1 ATOM 110 C CG1 . VAL A 1 14 ? 3.470 -6.299 4.099 1.00 92.88 14 A 1 ATOM 111 C CG2 . VAL A 1 14 ? 2.611 -3.996 4.481 1.00 93.05 14 A 1 ATOM 112 N N . LEU A 1 15 ? 4.581 -5.575 0.746 1.00 97.87 15 A 1 ATOM 113 C CA . LEU A 1 15 ? 5.125 -6.538 -0.207 1.00 97.89 15 A 1 ATOM 114 C C . LEU A 1 15 ? 6.522 -6.142 -0.662 1.00 98.11 15 A 1 ATOM 115 O O . LEU A 1 15 ? 7.411 -6.988 -0.771 1.00 97.60 15 A 1 ATOM 116 C CB . LEU A 1 15 ? 4.203 -6.646 -1.422 1.00 97.58 15 A 1 ATOM 117 C CG . LEU A 1 15 ? 4.425 -7.914 -2.245 1.00 94.81 15 A 1 ATOM 118 C CD1 . LEU A 1 15 ? 3.375 -8.960 -1.891 1.00 90.33 15 A 1 ATOM 119 C CD2 . LEU A 1 15 ? 4.378 -7.605 -3.726 1.00 91.57 15 A 1 ATOM 120 N N . LEU A 1 16 ? 6.705 -4.870 -0.932 1.00 97.33 16 A 1 ATOM 121 C CA . LEU A 1 16 ? 7.984 -4.345 -1.394 1.00 97.34 16 A 1 ATOM 122 C C . LEU A 1 16 ? 9.012 -4.285 -0.275 1.00 97.60 16 A 1 ATOM 123 O O . LEU A 1 16 ? 10.164 -4.679 -0.463 1.00 96.86 16 A 1 ATOM 124 C CB . LEU A 1 16 ? 7.782 -2.949 -1.996 1.00 96.79 16 A 1 ATOM 125 C CG . LEU A 1 16 ? 8.973 -2.427 -2.800 1.00 92.80 16 A 1 ATOM 126 C CD1 . LEU A 1 16 ? 8.963 -3.016 -4.210 1.00 88.61 16 A 1 ATOM 127 C CD2 . LEU A 1 16 ? 8.943 -0.915 -2.872 1.00 88.65 16 A 1 ATOM 128 N N . LEU A 1 17 ? 8.596 -3.788 0.882 1.00 96.79 17 A 1 ATOM 129 C CA . LEU A 1 17 ? 9.485 -3.630 2.032 1.00 96.73 17 A 1 ATOM 130 C C . LEU A 1 17 ? 9.597 -4.897 2.869 1.00 96.99 17 A 1 ATOM 131 O O . LEU A 1 17 ? 10.451 -4.975 3.756 1.00 95.85 17 A 1 ATOM 132 C CB . LEU A 1 17 ? 8.999 -2.464 2.907 1.00 95.60 17 A 1 ATOM 133 C CG . LEU A 1 17 ? 9.049 -1.090 2.227 1.00 91.88 17 A 1 ATOM 134 C CD1 . LEU A 1 17 ? 8.249 -0.079 3.034 1.00 87.16 17 A 1 ATOM 135 C CD2 . LEU A 1 17 ? 10.492 -0.625 2.094 1.00 85.90 17 A 1 ATOM 136 N N . ALA A 1 18 ? 8.750 -5.874 2.586 1.00 95.95 18 A 1 ATOM 137 C CA . ALA A 1 18 ? 8.731 -7.119 3.344 1.00 94.81 18 A 1 ATOM 138 C C . ALA A 1 18 ? 10.106 -7.792 3.338 1.00 93.52 18 A 1 ATOM 139 O O . ALA A 1 18 ? 10.786 -7.772 2.299 1.00 89.93 18 A 1 ATOM 140 C CB . ALA A 1 18 ? 7.675 -8.062 2.791 1.00 92.57 18 A 1 ATOM 141 O OXT . ALA A 1 18 ? 10.497 -8.363 4.364 1.00 83.21 18 A 1 #