# 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_spkb35555 # _entry.id spkb35555 # 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" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=O)N ? "L-PEPTIDE LINKING" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "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" "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 ASN 2 1 n SER 3 1 n LYS 4 1 n VAL 5 1 n PHE 6 1 n ALA 7 1 n ALA 8 1 n LEU 9 1 n LEU 10 1 n LEU 11 1 n LEU 12 1 n ALA 13 1 n LEU 14 1 n SER 15 1 n THR 16 1 n CYS 17 1 n VAL 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 @ 2025-07-03 09:24:15)" _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 91.68 _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 80.45 1 1 A ASN 2 2 89.30 1 2 A SER 3 2 92.93 1 3 A LYS 4 2 89.96 1 4 A VAL 5 2 91.63 1 5 A PHE 6 2 90.28 1 6 A ALA 7 2 94.61 1 7 A ALA 8 2 95.80 1 8 A LEU 9 2 91.66 1 9 A LEU 10 2 93.10 1 10 A LEU 11 2 92.57 1 11 A LEU 12 2 92.78 1 12 A ALA 13 2 97.07 1 13 A LEU 14 2 93.37 1 14 A SER 15 2 95.12 1 15 A THR 16 2 95.09 1 16 A CYS 17 2 94.62 1 17 A VAL 18 2 95.05 1 18 A LEU 19 2 91.17 1 19 A SER 20 2 84.36 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 ASN . 2 A 2 A 3 1 n SER . 3 A 3 A 4 1 n LYS . 4 A 4 A 5 1 n VAL . 5 A 5 A 6 1 n PHE . 6 A 6 A 7 1 n ALA . 7 A 7 A 8 1 n ALA . 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 LEU . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n SER . 15 A 15 A 16 1 n THR . 16 A 16 A 17 1 n CYS . 17 A 17 A 18 1 n VAL . 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 ? -12.286 4.555 9.983 1.00 86.96 1 A 1 ATOM 2 C CA . MET A 1 1 ? -10.913 4.935 9.614 1.00 88.37 1 A 1 ATOM 3 C C . MET A 1 1 ? -10.913 5.919 8.458 1.00 89.64 1 A 1 ATOM 4 O O . MET A 1 1 ? -11.892 6.030 7.724 1.00 86.52 1 A 1 ATOM 5 C CB . MET A 1 1 ? -10.097 3.709 9.202 1.00 81.70 1 A 1 ATOM 6 C CG . MET A 1 1 ? -9.907 2.734 10.351 1.00 75.88 1 A 1 ATOM 7 S SD . MET A 1 1 ? -8.958 1.289 9.857 1.00 70.70 1 A 1 ATOM 8 C CE . MET A 1 1 ? -8.879 0.425 11.409 1.00 63.85 1 A 1 ATOM 9 N N . ASN A 1 2 ? -9.812 6.632 8.299 1.00 92.69 2 A 1 ATOM 10 C CA . ASN A 1 2 ? -9.688 7.604 7.224 1.00 93.98 2 A 1 ATOM 11 C C . ASN A 1 2 ? -9.335 6.910 5.915 1.00 93.94 2 A 1 ATOM 12 O O . ASN A 1 2 ? -8.689 5.860 5.908 1.00 92.66 2 A 1 ATOM 13 C CB . ASN A 1 2 ? -8.618 8.637 7.571 1.00 91.61 2 A 1 ATOM 14 C CG . ASN A 1 2 ? -9.028 9.496 8.753 1.00 86.58 2 A 1 ATOM 15 O OD1 . ASN A 1 2 ? -10.179 9.886 8.877 1.00 82.09 2 A 1 ATOM 16 N ND2 . ASN A 1 2 ? -8.081 9.798 9.623 1.00 80.86 2 A 1 ATOM 17 N N . SER A 1 3 ? -9.735 7.507 4.810 1.00 95.71 3 A 1 ATOM 18 C CA . SER A 1 3 ? -9.451 6.946 3.490 1.00 95.86 3 A 1 ATOM 19 C C . SER A 1 3 ? -7.949 6.908 3.226 1.00 96.36 3 A 1 ATOM 20 O O . SER A 1 3 ? -7.460 6.058 2.486 1.00 94.70 3 A 1 ATOM 21 C CB . SER A 1 3 ? -10.138 7.770 2.408 1.00 93.79 3 A 1 ATOM 22 O OG . SER A 1 3 ? -11.538 7.789 2.626 1.00 81.14 3 A 1 ATOM 23 N N . LYS A 1 4 ? -7.230 7.833 3.847 1.00 95.15 4 A 1 ATOM 24 C CA . LYS A 1 4 ? -5.779 7.903 3.684 1.00 95.70 4 A 1 ATOM 25 C C . LYS A 1 4 ? -5.111 6.643 4.220 1.00 95.97 4 A 1 ATOM 26 O O . LYS A 1 4 ? -4.194 6.107 3.599 1.00 95.15 4 A 1 ATOM 27 C CB . LYS A 1 4 ? -5.225 9.130 4.406 1.00 95.37 4 A 1 ATOM 28 C CG . LYS A 1 4 ? -5.737 10.438 3.830 1.00 90.19 4 A 1 ATOM 29 C CD . LYS A 1 4 ? -5.182 11.623 4.600 1.00 86.31 4 A 1 ATOM 30 C CE . LYS A 1 4 ? -5.704 12.941 4.039 1.00 81.64 4 A 1 ATOM 31 N NZ . LYS A 1 4 ? -5.179 14.096 4.813 1.00 74.12 4 A 1 ATOM 32 N N . VAL A 1 5 ? -5.571 6.175 5.367 1.00 93.14 5 A 1 ATOM 33 C CA . VAL A 1 5 ? -5.012 4.970 5.975 1.00 93.17 5 A 1 ATOM 34 C C . VAL A 1 5 ? -5.272 3.756 5.093 1.00 94.13 5 A 1 ATOM 35 O O . VAL A 1 5 ? -4.378 2.948 4.837 1.00 93.49 5 A 1 ATOM 36 C CB . VAL A 1 5 ? -5.596 4.737 7.375 1.00 91.90 5 A 1 ATOM 37 C CG1 . VAL A 1 5 ? -5.035 3.460 7.985 1.00 87.44 5 A 1 ATOM 38 C CG2 . VAL A 1 5 ? -5.297 5.926 8.274 1.00 88.13 5 A 1 ATOM 39 N N . PHE A 1 6 ? -6.508 3.624 4.631 1.00 91.58 6 A 1 ATOM 40 C CA . PHE A 1 6 ? -6.873 2.508 3.769 1.00 91.60 6 A 1 ATOM 41 C C . PHE A 1 6 ? -6.088 2.550 2.466 1.00 93.45 6 A 1 ATOM 42 O O . PHE A 1 6 ? -5.602 1.524 1.987 1.00 92.82 6 A 1 ATOM 43 C CB . PHE A 1 6 ? -8.369 2.544 3.478 1.00 91.60 6 A 1 ATOM 44 C CG . PHE A 1 6 ? -8.825 1.363 2.663 1.00 91.84 6 A 1 ATOM 45 C CD1 . PHE A 1 6 ? -9.023 0.129 3.264 1.00 88.05 6 A 1 ATOM 46 C CD2 . PHE A 1 6 ? -9.042 1.492 1.301 1.00 88.92 6 A 1 ATOM 47 C CE1 . PHE A 1 6 ? -9.435 -0.963 2.519 1.00 87.31 6 A 1 ATOM 48 C CE2 . PHE A 1 6 ? -9.451 0.398 0.545 1.00 88.18 6 A 1 ATOM 49 C CZ . PHE A 1 6 ? -9.648 -0.828 1.156 1.00 87.69 6 A 1 ATOM 50 N N . ALA A 1 7 ? -5.965 3.738 1.897 1.00 93.87 7 A 1 ATOM 51 C CA . ALA A 1 7 ? -5.229 3.909 0.649 1.00 94.46 7 A 1 ATOM 52 C C . ALA A 1 7 ? -3.761 3.543 0.829 1.00 95.70 7 A 1 ATOM 53 O O . ALA A 1 7 ? -3.161 2.901 -0.033 1.00 95.12 7 A 1 ATOM 54 C CB . ALA A 1 7 ? -5.348 5.348 0.164 1.00 93.92 7 A 1 ATOM 55 N N . ALA A 1 8 ? -3.187 3.945 1.950 1.00 95.56 8 A 1 ATOM 56 C CA . ALA A 1 8 ? -1.786 3.655 2.234 1.00 95.73 8 A 1 ATOM 57 C C . ALA A 1 8 ? -1.552 2.153 2.351 1.00 96.52 8 A 1 ATOM 58 O O . ALA A 1 8 ? -0.580 1.625 1.810 1.00 95.69 8 A 1 ATOM 59 C CB . ALA A 1 8 ? -1.361 4.353 3.522 1.00 95.52 8 A 1 ATOM 60 N N . LEU A 1 9 ? -2.437 1.471 3.056 1.00 94.65 9 A 1 ATOM 61 C CA . LEU A 1 9 ? -2.316 0.027 3.230 1.00 94.20 9 A 1 ATOM 62 C C . LEU A 1 9 ? -2.485 -0.697 1.902 1.00 95.54 9 A 1 ATOM 63 O O . LEU A 1 9 ? -1.772 -1.662 1.615 1.00 95.85 9 A 1 ATOM 64 C CB . LEU A 1 9 ? -3.371 -0.462 4.218 1.00 94.28 9 A 1 ATOM 65 C CG . LEU A 1 9 ? -3.137 0.000 5.652 1.00 87.24 9 A 1 ATOM 66 C CD1 . LEU A 1 9 ? -4.342 -0.325 6.520 1.00 84.69 9 A 1 ATOM 67 C CD2 . LEU A 1 9 ? -1.887 -0.656 6.224 1.00 86.82 9 A 1 ATOM 68 N N . LEU A 1 10 ? -3.424 -0.234 1.101 1.00 95.79 10 A 1 ATOM 69 C CA . LEU A 1 10 ? -3.681 -0.842 -0.199 1.00 95.82 10 A 1 ATOM 70 C C . LEU A 1 10 ? -2.483 -0.669 -1.120 1.00 96.62 10 A 1 ATOM 71 O O . LEU A 1 10 ? -2.079 -1.605 -1.816 1.00 96.78 10 A 1 ATOM 72 C CB . LEU A 1 10 ? -4.935 -0.228 -0.822 1.00 95.65 10 A 1 ATOM 73 C CG . LEU A 1 10 ? -5.502 -1.042 -1.984 1.00 89.54 10 A 1 ATOM 74 C CD1 . LEU A 1 10 ? -7.022 -1.066 -1.923 1.00 86.75 10 A 1 ATOM 75 C CD2 . LEU A 1 10 ? -5.051 -0.463 -3.309 1.00 87.87 10 A 1 ATOM 76 N N . LEU A 1 11 ? -1.906 0.525 -1.125 1.00 96.06 11 A 1 ATOM 77 C CA . LEU A 1 11 ? -0.740 0.800 -1.956 1.00 95.94 11 A 1 ATOM 78 C C . LEU A 1 11 ? 0.452 -0.022 -1.495 1.00 96.63 11 A 1 ATOM 79 O O . LEU A 1 11 ? 1.230 -0.521 -2.313 1.00 96.52 11 A 1 ATOM 80 C CB . LEU A 1 11 ? -0.400 2.289 -1.897 1.00 95.54 11 A 1 ATOM 81 C CG . LEU A 1 11 ? -1.389 3.182 -2.640 1.00 88.46 11 A 1 ATOM 82 C CD1 . LEU A 1 11 ? -1.107 4.642 -2.336 1.00 84.93 11 A 1 ATOM 83 C CD2 . LEU A 1 11 ? -1.306 2.933 -4.138 1.00 86.46 11 A 1 ATOM 84 N N . LEU A 1 12 ? 0.600 -0.167 -0.188 1.00 96.87 12 A 1 ATOM 85 C CA . LEU A 1 12 ? 1.693 -0.953 0.373 1.00 96.61 12 A 1 ATOM 86 C C . LEU A 1 12 ? 1.567 -2.412 -0.041 1.00 97.29 12 A 1 ATOM 87 O O . LEU A 1 12 ? 2.554 -3.058 -0.395 1.00 97.10 12 A 1 ATOM 88 C CB . LEU A 1 12 ? 1.687 -0.844 1.898 1.00 96.13 12 A 1 ATOM 89 C CG . LEU A 1 12 ? 2.879 -1.523 2.577 1.00 87.91 12 A 1 ATOM 90 C CD1 . LEU A 1 12 ? 4.169 -0.789 2.238 1.00 83.88 12 A 1 ATOM 91 C CD2 . LEU A 1 12 ? 2.678 -1.569 4.081 1.00 86.46 12 A 1 ATOM 92 N N . ALA A 1 13 ? 0.356 -2.933 0.003 1.00 97.05 13 A 1 ATOM 93 C CA . ALA A 1 13 ? 0.104 -4.317 -0.386 1.00 97.14 13 A 1 ATOM 94 C C . ALA A 1 13 ? 0.438 -4.538 -1.856 1.00 97.63 13 A 1 ATOM 95 O O . ALA A 1 13 ? 1.039 -5.550 -2.219 1.00 97.00 13 A 1 ATOM 96 C CB . ALA A 1 13 ? -1.357 -4.676 -0.122 1.00 96.54 13 A 1 ATOM 97 N N . LEU A 1 14 ? 0.065 -3.590 -2.694 1.00 96.91 14 A 1 ATOM 98 C CA . LEU A 1 14 ? 0.346 -3.691 -4.121 1.00 96.84 14 A 1 ATOM 99 C C . LEU A 1 14 ? 1.840 -3.594 -4.386 1.00 97.36 14 A 1 ATOM 100 O O . LEU A 1 14 ? 2.375 -4.312 -5.236 1.00 96.70 14 A 1 ATOM 101 C CB . LEU A 1 14 ? -0.391 -2.586 -4.879 1.00 96.13 14 A 1 ATOM 102 C CG . LEU A 1 14 ? -1.900 -2.807 -4.984 1.00 91.31 14 A 1 ATOM 103 C CD1 . LEU A 1 14 ? -2.583 -1.552 -5.503 1.00 85.61 14 A 1 ATOM 104 C CD2 . LEU A 1 14 ? -2.203 -3.983 -5.891 1.00 86.10 14 A 1 ATOM 105 N N . SER A 1 15 ? 2.517 -2.723 -3.659 1.00 97.12 15 A 1 ATOM 106 C CA . SER A 1 15 ? 3.948 -2.529 -3.841 1.00 97.19 15 A 1 ATOM 107 C C . SER A 1 15 ? 4.722 -3.791 -3.478 1.00 97.45 15 A 1 ATOM 108 O O . SER A 1 15 ? 5.671 -4.162 -4.169 1.00 96.15 15 A 1 ATOM 109 C CB . SER A 1 15 ? 4.437 -1.355 -2.995 1.00 96.01 15 A 1 ATOM 110 O OG . SER A 1 15 ? 4.357 -1.650 -1.628 1.00 86.78 15 A 1 ATOM 111 N N . THR A 1 16 ? 4.326 -4.458 -2.405 1.00 97.78 16 A 1 ATOM 112 C CA . THR A 1 16 ? 5.010 -5.674 -1.979 1.00 97.57 16 A 1 ATOM 113 C C . THR A 1 16 ? 4.686 -6.850 -2.893 1.00 97.48 16 A 1 ATOM 114 O O . THR A 1 16 ? 5.505 -7.750 -3.074 1.00 95.72 16 A 1 ATOM 115 C CB . THR A 1 16 ? 4.659 -6.023 -0.524 1.00 96.65 16 A 1 ATOM 116 O OG1 . THR A 1 16 ? 5.439 -7.147 -0.105 1.00 89.94 16 A 1 ATOM 117 C CG2 . THR A 1 16 ? 3.199 -6.365 -0.373 1.00 90.47 16 A 1 ATOM 118 N N . CYS A 1 17 ? 3.496 -6.841 -3.479 1.00 97.51 17 A 1 ATOM 119 C CA . CYS A 1 17 ? 3.093 -7.910 -4.390 1.00 97.01 17 A 1 ATOM 120 C C . CYS A 1 17 ? 3.770 -7.768 -5.750 1.00 97.15 17 A 1 ATOM 121 O O . CYS A 1 17 ? 4.225 -8.748 -6.333 1.00 95.23 17 A 1 ATOM 122 C CB . CYS A 1 17 ? 1.572 -7.909 -4.560 1.00 95.15 17 A 1 ATOM 123 S SG . CYS A 1 17 ? 0.706 -8.507 -3.091 1.00 85.68 17 A 1 ATOM 124 N N . VAL A 1 18 ? 3.817 -6.540 -6.246 1.00 97.06 18 A 1 ATOM 125 C CA . VAL A 1 18 ? 4.426 -6.271 -7.546 1.00 96.96 18 A 1 ATOM 126 C C . VAL A 1 18 ? 5.931 -6.082 -7.425 1.00 97.09 18 A 1 ATOM 127 O O . VAL A 1 18 ? 6.710 -6.662 -8.191 1.00 96.04 18 A 1 ATOM 128 C CB . VAL A 1 18 ? 3.799 -5.030 -8.196 1.00 95.75 18 A 1 ATOM 129 C CG1 . VAL A 1 18 ? 4.453 -4.754 -9.542 1.00 91.35 18 A 1 ATOM 130 C CG2 . VAL A 1 18 ? 2.306 -5.217 -8.359 1.00 91.13 18 A 1 ATOM 131 N N . LEU A 1 19 ? 6.320 -5.265 -6.458 1.00 96.58 19 A 1 ATOM 132 C CA . LEU A 1 19 ? 7.728 -4.965 -6.237 1.00 95.72 19 A 1 ATOM 133 C C . LEU A 1 19 ? 8.238 -5.714 -5.014 1.00 95.75 19 A 1 ATOM 134 O O . LEU A 1 19 ? 7.996 -5.301 -3.876 1.00 94.34 19 A 1 ATOM 135 C CB . LEU A 1 19 ? 7.920 -3.458 -6.053 1.00 94.40 19 A 1 ATOM 136 C CG . LEU A 1 19 ? 9.117 -2.851 -6.768 1.00 88.91 19 A 1 ATOM 137 C CD1 . LEU A 1 19 ? 10.419 -3.488 -6.322 1.00 82.75 19 A 1 ATOM 138 C CD2 . LEU A 1 19 ? 8.943 -2.971 -8.271 1.00 80.95 19 A 1 ATOM 139 N N . SER A 1 20 ? 8.955 -6.802 -5.247 1.00 93.06 20 A 1 ATOM 140 C CA . SER A 1 20 ? 9.508 -7.610 -4.165 1.00 90.69 20 A 1 ATOM 141 C C . SER A 1 20 ? 10.897 -8.116 -4.535 1.00 86.12 20 A 1 ATOM 142 O O . SER A 1 20 ? 11.699 -8.364 -3.618 1.00 79.90 20 A 1 ATOM 143 C CB . SER A 1 20 ? 8.591 -8.785 -3.848 1.00 86.04 20 A 1 ATOM 144 O OG . SER A 1 20 ? 7.386 -8.342 -3.280 1.00 76.51 20 A 1 ATOM 145 O OXT . SER A 1 20 ? 11.180 -8.319 -5.723 1.00 78.21 20 A 1 #