# 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_spkb18633 # _entry.id spkb18633 # 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" "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 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" # _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 LEU 3 1 n LYS 4 1 n SER 5 1 n LEU 6 1 n LEU 7 1 n ILE 8 1 n ALA 9 1 n CYS 10 1 n LEU 11 1 n LEU 12 1 n SER 13 1 n SER 14 1 n LEU 15 1 n SER 16 1 n PHE 17 1 n SER 18 1 n ALA 19 1 n LEU 20 1 n ALA 21 # _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 23:59:57)" _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 92.66 _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 84.62 1 1 A LYS 2 2 87.21 1 2 A LEU 3 2 90.94 1 3 A LYS 4 2 89.04 1 4 A SER 5 2 92.68 1 5 A LEU 6 2 92.90 1 6 A LEU 7 2 93.47 1 7 A ILE 8 2 95.03 1 8 A ALA 9 2 97.64 1 9 A CYS 10 2 96.59 1 10 A LEU 11 2 95.01 1 11 A LEU 12 2 94.76 1 12 A SER 13 2 95.63 1 13 A SER 14 2 96.44 1 14 A LEU 15 2 94.34 1 15 A SER 16 2 96.40 1 16 A PHE 17 2 94.03 1 17 A SER 18 2 94.29 1 18 A ALA 19 2 95.55 1 19 A LEU 20 2 90.26 1 20 A ALA 21 2 84.56 1 21 # _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 LEU . 3 A 3 A 4 1 n LYS . 4 A 4 A 5 1 n SER . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n ILE . 8 A 8 A 9 1 n ALA . 9 A 9 A 10 1 n CYS . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n SER . 13 A 13 A 14 1 n SER . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n SER . 16 A 16 A 17 1 n PHE . 17 A 17 A 18 1 n SER . 18 A 18 A 19 1 n ALA . 19 A 19 A 20 1 n LEU . 20 A 20 A 21 1 n ALA . 21 A 21 # _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 ? -14.180 -7.748 3.886 1.00 89.15 1 A 1 ATOM 2 C CA . MET A 1 1 ? -13.332 -6.545 3.983 1.00 92.38 1 A 1 ATOM 3 C C . MET A 1 1 ? -12.425 -6.424 2.761 1.00 93.84 1 A 1 ATOM 4 O O . MET A 1 1 ? -11.297 -6.912 2.768 1.00 89.47 1 A 1 ATOM 5 C CB . MET A 1 1 ? -12.456 -6.596 5.228 1.00 87.38 1 A 1 ATOM 6 C CG . MET A 1 1 ? -13.264 -6.644 6.507 1.00 81.68 1 A 1 ATOM 7 S SD . MET A 1 1 ? -12.211 -6.765 7.961 1.00 76.36 1 A 1 ATOM 8 C CE . MET A 1 1 ? -13.440 -6.829 9.232 1.00 66.66 1 A 1 ATOM 9 N N . LYS A 1 2 ? -12.927 -5.791 1.709 1.00 94.40 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -12.141 -5.622 0.487 1.00 95.24 2 A 1 ATOM 11 C C . LYS A 1 2 ? -11.441 -4.261 0.466 1.00 95.52 2 A 1 ATOM 12 O O . LYS A 1 2 ? -10.248 -4.168 0.178 1.00 94.30 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -13.045 -5.770 -0.744 1.00 93.01 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -13.576 -7.187 -0.918 1.00 84.09 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -14.440 -7.301 -2.162 1.00 82.73 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -14.942 -8.718 -2.357 1.00 76.33 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -15.807 -8.834 -3.557 1.00 69.26 2 A 1 ATOM 18 N N . LEU A 1 3 ? -12.182 -3.208 0.771 1.00 94.37 3 A 1 ATOM 19 C CA . LEU A 1 3 ? -11.640 -1.852 0.768 1.00 94.91 3 A 1 ATOM 20 C C . LEU A 1 3 ? -10.656 -1.638 1.912 1.00 95.92 3 A 1 ATOM 21 O O . LEU A 1 3 ? -9.651 -0.944 1.752 1.00 94.19 3 A 1 ATOM 22 C CB . LEU A 1 3 ? -12.784 -0.836 0.861 1.00 93.41 3 A 1 ATOM 23 C CG . LEU A 1 3 ? -13.737 -0.871 -0.335 1.00 88.86 3 A 1 ATOM 24 C CD1 . LEU A 1 3 ? -14.925 0.046 -0.081 1.00 83.18 3 A 1 ATOM 25 C CD2 . LEU A 1 3 ? -13.017 -0.451 -1.611 1.00 82.72 3 A 1 ATOM 26 N N . LYS A 1 4 ? -10.937 -2.241 3.069 1.00 96.00 4 A 1 ATOM 27 C CA . LYS A 1 4 ? -10.062 -2.104 4.234 1.00 96.41 4 A 1 ATOM 28 C C . LYS A 1 4 ? -8.684 -2.689 3.952 1.00 96.76 4 A 1 ATOM 29 O O . LYS A 1 4 ? -7.666 -2.130 4.366 1.00 95.95 4 A 1 ATOM 30 C CB . LYS A 1 4 ? -10.685 -2.779 5.456 1.00 95.58 4 A 1 ATOM 31 C CG . LYS A 1 4 ? -11.939 -2.062 5.941 1.00 88.49 4 A 1 ATOM 32 C CD . LYS A 1 4 ? -12.501 -2.729 7.186 1.00 84.88 4 A 1 ATOM 33 C CE . LYS A 1 4 ? -13.731 -1.990 7.696 1.00 77.78 4 A 1 ATOM 34 N NZ . LYS A 1 4 ? -14.288 -2.635 8.912 1.00 69.49 4 A 1 ATOM 35 N N . SER A 1 5 ? -8.643 -3.802 3.238 1.00 94.38 5 A 1 ATOM 36 C CA . SER A 1 5 ? -7.385 -4.458 2.894 1.00 94.75 5 A 1 ATOM 37 C C . SER A 1 5 ? -6.535 -3.557 2.000 1.00 95.55 5 A 1 ATOM 38 O O . SER A 1 5 ? -5.318 -3.479 2.159 1.00 95.02 5 A 1 ATOM 39 C CB . SER A 1 5 ? -7.659 -5.784 2.190 1.00 94.09 5 A 1 ATOM 40 O OG . SER A 1 5 ? -6.451 -6.443 1.906 1.00 82.32 5 A 1 ATOM 41 N N . LEU A 1 6 ? -7.181 -2.867 1.072 1.00 95.43 6 A 1 ATOM 42 C CA . LEU A 1 6 ? -6.488 -1.964 0.160 1.00 95.45 6 A 1 ATOM 43 C C . LEU A 1 6 ? -5.896 -0.773 0.908 1.00 96.60 6 A 1 ATOM 44 O O . LEU A 1 6 ? -4.783 -0.338 0.604 1.00 96.33 6 A 1 ATOM 45 C CB . LEU A 1 6 ? -7.454 -1.474 -0.921 1.00 95.65 6 A 1 ATOM 46 C CG . LEU A 1 6 ? -7.931 -2.573 -1.873 1.00 90.18 6 A 1 ATOM 47 C CD1 . LEU A 1 6 ? -9.033 -2.041 -2.782 1.00 85.80 6 A 1 ATOM 48 C CD2 . LEU A 1 6 ? -6.773 -3.096 -2.716 1.00 87.79 6 A 1 ATOM 49 N N . LEU A 1 7 ? -6.629 -0.260 1.897 1.00 95.82 7 A 1 ATOM 50 C CA . LEU A 1 7 ? -6.158 0.873 2.690 1.00 96.14 7 A 1 ATOM 51 C C . LEU A 1 7 ? -4.894 0.504 3.461 1.00 96.93 7 A 1 ATOM 52 O O . LEU A 1 7 ? -3.933 1.275 3.509 1.00 97.23 7 A 1 ATOM 53 C CB . LEU A 1 7 ? -7.252 1.324 3.657 1.00 96.39 7 A 1 ATOM 54 C CG . LEU A 1 7 ? -8.461 1.957 2.967 1.00 90.95 7 A 1 ATOM 55 C CD1 . LEU A 1 7 ? -9.592 2.172 3.965 1.00 86.19 7 A 1 ATOM 56 C CD2 . LEU A 1 7 ? -8.079 3.282 2.321 1.00 88.09 7 A 1 ATOM 57 N N . ILE A 1 8 ? -4.889 -0.681 4.053 1.00 96.83 8 A 1 ATOM 58 C CA . ILE A 1 8 ? -3.735 -1.163 4.810 1.00 96.37 8 A 1 ATOM 59 C C . ILE A 1 8 ? -2.551 -1.365 3.870 1.00 96.53 8 A 1 ATOM 60 O O . ILE A 1 8 ? -1.415 -1.004 4.189 1.00 96.25 8 A 1 ATOM 61 C CB . ILE A 1 8 ? -4.074 -2.471 5.543 1.00 96.46 8 A 1 ATOM 62 C CG1 . ILE A 1 8 ? -5.183 -2.232 6.577 1.00 94.18 8 A 1 ATOM 63 C CG2 . ILE A 1 8 ? -2.826 -3.033 6.228 1.00 93.96 8 A 1 ATOM 64 C CD1 . ILE A 1 8 ? -5.778 -3.515 7.130 1.00 89.64 8 A 1 ATOM 65 N N . ALA A 1 9 ? -2.814 -1.936 2.704 1.00 97.84 9 A 1 ATOM 66 C CA . ALA A 1 9 ? -1.773 -2.178 1.713 1.00 97.69 9 A 1 ATOM 67 C C . ALA A 1 9 ? -1.153 -0.867 1.228 1.00 97.92 9 A 1 ATOM 68 O O . ALA A 1 9 ? 0.063 -0.782 1.038 1.00 97.34 9 A 1 ATOM 69 C CB . ALA A 1 9 ? -2.354 -2.958 0.537 1.00 97.40 9 A 1 ATOM 70 N N . CYS A 1 10 ? -1.978 0.159 1.045 1.00 97.52 10 A 1 ATOM 71 C CA . CYS A 1 10 ? -1.499 1.460 0.597 1.00 97.55 10 A 1 ATOM 72 C C . CYS A 1 10 ? -0.580 2.104 1.633 1.00 97.68 10 A 1 ATOM 73 O O . CYS A 1 10 ? 0.450 2.674 1.286 1.00 97.04 10 A 1 ATOM 74 C CB . CYS A 1 10 ? -2.686 2.379 0.306 1.00 97.21 10 A 1 ATOM 75 S SG . CYS A 1 10 ? -3.610 1.879 -1.163 1.00 92.54 10 A 1 ATOM 76 N N . LEU A 1 11 ? -0.961 1.998 2.902 1.00 97.19 11 A 1 ATOM 77 C CA . LEU A 1 11 ? -0.163 2.566 3.986 1.00 97.16 11 A 1 ATOM 78 C C . LEU A 1 11 ? 1.185 1.865 4.091 1.00 97.46 11 A 1 ATOM 79 O O . LEU A 1 11 ? 2.229 2.515 4.194 1.00 97.06 11 A 1 ATOM 80 C CB . LEU A 1 11 ? -0.926 2.448 5.309 1.00 97.18 11 A 1 ATOM 81 C CG . LEU A 1 11 ? -2.165 3.341 5.389 1.00 93.81 11 A 1 ATOM 82 C CD1 . LEU A 1 11 ? -2.996 2.989 6.619 1.00 89.60 11 A 1 ATOM 83 C CD2 . LEU A 1 11 ? -1.766 4.812 5.441 1.00 90.65 11 A 1 ATOM 84 N N . LEU A 1 12 ? 1.167 0.540 4.053 1.00 97.63 12 A 1 ATOM 85 C CA . LEU A 1 12 ? 2.396 -0.245 4.138 1.00 97.20 12 A 1 ATOM 86 C C . LEU A 1 12 ? 3.267 -0.022 2.909 1.00 97.26 12 A 1 ATOM 87 O O . LEU A 1 12 ? 4.494 0.074 3.018 1.00 96.56 12 A 1 ATOM 88 C CB . LEU A 1 12 ? 2.053 -1.729 4.278 1.00 96.86 12 A 1 ATOM 89 C CG . LEU A 1 12 ? 1.389 -2.090 5.606 1.00 93.84 12 A 1 ATOM 90 C CD1 . LEU A 1 12 ? 0.900 -3.534 5.572 1.00 88.86 12 A 1 ATOM 91 C CD2 . LEU A 1 12 ? 2.355 -1.891 6.767 1.00 89.91 12 A 1 ATOM 92 N N . SER A 1 13 ? 2.648 0.071 1.745 1.00 97.59 13 A 1 ATOM 93 C CA . SER A 1 13 ? 3.363 0.300 0.494 1.00 97.45 13 A 1 ATOM 94 C C . SER A 1 13 ? 4.058 1.661 0.500 1.00 97.63 13 A 1 ATOM 95 O O . SER A 1 13 ? 5.210 1.776 0.089 1.00 96.52 13 A 1 ATOM 96 C CB . SER A 1 13 ? 2.402 0.217 -0.687 1.00 96.46 13 A 1 ATOM 97 O OG . SER A 1 13 ? 3.107 0.397 -1.895 1.00 88.14 13 A 1 ATOM 98 N N . SER A 1 14 ? 3.369 2.680 0.987 1.00 97.73 14 A 1 ATOM 99 C CA . SER A 1 14 ? 3.918 4.031 1.053 1.00 97.72 14 A 1 ATOM 100 C C . SER A 1 14 ? 5.126 4.089 1.990 1.00 97.90 14 A 1 ATOM 101 O O . SER A 1 14 ? 6.154 4.683 1.658 1.00 96.92 14 A 1 ATOM 102 C CB . SER A 1 14 ? 2.851 5.017 1.522 1.00 97.06 14 A 1 ATOM 103 O OG . SER A 1 14 ? 3.362 6.329 1.519 1.00 91.30 14 A 1 ATOM 104 N N . LEU A 1 15 ? 5.004 3.461 3.153 1.00 97.47 15 A 1 ATOM 105 C CA . LEU A 1 15 ? 6.086 3.434 4.134 1.00 96.97 15 A 1 ATOM 106 C C . LEU A 1 15 ? 7.268 2.624 3.614 1.00 97.32 15 A 1 ATOM 107 O O . LEU A 1 15 ? 8.425 3.034 3.755 1.00 96.51 15 A 1 ATOM 108 C CB . LEU A 1 15 ? 5.578 2.843 5.452 1.00 96.48 15 A 1 ATOM 109 C CG . LEU A 1 15 ? 4.546 3.717 6.165 1.00 93.38 15 A 1 ATOM 110 C CD1 . LEU A 1 15 ? 3.917 2.953 7.325 1.00 87.64 15 A 1 ATOM 111 C CD2 . LEU A 1 15 ? 5.193 4.999 6.679 1.00 88.98 15 A 1 ATOM 112 N N . SER A 1 16 ? 6.984 1.477 3.008 1.00 97.66 16 A 1 ATOM 113 C CA . SER A 1 16 ? 8.020 0.606 2.460 1.00 97.65 16 A 1 ATOM 114 C C . SER A 1 16 ? 8.751 1.287 1.306 1.00 97.64 16 A 1 ATOM 115 O O . SER A 1 16 ? 9.974 1.203 1.195 1.00 96.60 16 A 1 ATOM 116 C CB . SER A 1 16 ? 7.416 -0.709 1.982 1.00 96.99 16 A 1 ATOM 117 O OG . SER A 1 16 ? 8.433 -1.569 1.511 1.00 91.87 16 A 1 ATOM 118 N N . PHE A 1 17 ? 8.002 1.974 0.452 1.00 97.09 17 A 1 ATOM 119 C CA . PHE A 1 17 ? 8.574 2.672 -0.693 1.00 96.82 17 A 1 ATOM 120 C C . PHE A 1 17 ? 9.512 3.784 -0.239 1.00 97.31 17 A 1 ATOM 121 O O . PHE A 1 17 ? 10.581 3.978 -0.821 1.00 96.83 17 A 1 ATOM 122 C CB . PHE A 1 17 ? 7.454 3.249 -1.558 1.00 96.21 17 A 1 ATOM 123 C CG . PHE A 1 17 ? 7.928 3.624 -2.939 1.00 94.02 17 A 1 ATOM 124 C CD1 . PHE A 1 17 ? 8.010 2.665 -3.941 1.00 91.67 17 A 1 ATOM 125 C CD2 . PHE A 1 17 ? 8.286 4.931 -3.231 1.00 91.89 17 A 1 ATOM 126 C CE1 . PHE A 1 17 ? 8.444 3.004 -5.213 1.00 90.83 17 A 1 ATOM 127 C CE2 . PHE A 1 17 ? 8.729 5.280 -4.508 1.00 90.73 17 A 1 ATOM 128 C CZ . PHE A 1 17 ? 8.807 4.311 -5.495 1.00 90.98 17 A 1 ATOM 129 N N . SER A 1 18 ? 9.126 4.498 0.812 1.00 96.66 18 A 1 ATOM 130 C CA . SER A 1 18 ? 9.944 5.576 1.362 1.00 96.46 18 A 1 ATOM 131 C C . SER A 1 18 ? 11.227 5.031 1.984 1.00 96.69 18 A 1 ATOM 132 O O . SER A 1 18 ? 12.290 5.643 1.873 1.00 95.42 18 A 1 ATOM 133 C CB . SER A 1 18 ? 9.158 6.358 2.411 1.00 95.22 18 A 1 ATOM 134 O OG . SER A 1 18 ? 9.926 7.444 2.878 1.00 85.29 18 A 1 ATOM 135 N N . ALA A 1 19 ? 11.133 3.877 2.637 1.00 95.54 19 A 1 ATOM 136 C CA . ALA A 1 19 ? 12.283 3.246 3.280 1.00 95.76 19 A 1 ATOM 137 C C . ALA A 1 19 ? 13.252 2.664 2.254 1.00 96.47 19 A 1 ATOM 138 O O . ALA A 1 19 ? 14.471 2.767 2.407 1.00 95.37 19 A 1 ATOM 139 C CB . ALA A 1 19 ? 11.812 2.152 4.237 1.00 94.62 19 A 1 ATOM 140 N N . LEU A 1 20 ? 12.706 2.043 1.212 1.00 94.95 20 A 1 ATOM 141 C CA . LEU A 1 20 ? 13.521 1.433 0.165 1.00 94.41 20 A 1 ATOM 142 C C . LEU A 1 20 ? 14.121 2.482 -0.763 1.00 94.81 20 A 1 ATOM 143 O O . LEU A 1 20 ? 15.256 2.333 -1.225 1.00 93.56 20 A 1 ATOM 144 C CB . LEU A 1 20 ? 12.672 0.441 -0.634 1.00 93.42 20 A 1 ATOM 145 C CG . LEU A 1 20 ? 12.249 -0.797 0.155 1.00 88.44 20 A 1 ATOM 146 C CD1 . LEU A 1 20 ? 11.215 -1.592 -0.636 1.00 81.50 20 A 1 ATOM 147 C CD2 . LEU A 1 20 ? 13.458 -1.675 0.460 1.00 81.00 20 A 1 ATOM 148 N N . ALA A 1 21 ? 13.374 3.527 -1.030 1.00 91.36 21 A 1 ATOM 149 C CA . ALA A 1 21 ? 13.819 4.603 -1.912 1.00 89.66 21 A 1 ATOM 150 C C . ALA A 1 21 ? 14.825 5.497 -1.192 1.00 86.12 21 A 1 ATOM 151 O O . ALA A 1 21 ? 15.951 5.663 -1.694 1.00 81.83 21 A 1 ATOM 152 C CB . ALA A 1 21 ? 12.621 5.407 -2.410 1.00 84.25 21 A 1 ATOM 153 O OXT . ALA A 1 21 ? 14.481 6.046 -0.144 1.00 74.16 21 A 1 #