# 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_spkb18593 # _entry.id spkb18593 # 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" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[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" "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 SER 2 1 n PHE 3 1 n THR 4 1 n LYS 5 1 n ILE 6 1 n ALA 7 1 n ALA 8 1 n LEU 9 1 n LEU 10 1 n ALA 11 1 n VAL 12 1 n ALA 13 1 n ALA 14 1 n ALA 15 1 n SER 16 1 n THR 17 1 n GLN 18 1 n LEU 19 1 n VAL 20 1 n SER 21 1 n ALA 22 # _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 @ 2025-07-10 12:47:22)" _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 92.87 _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 80.02 1 1 A SER 2 2 93.94 1 2 A PHE 3 2 91.99 1 3 A THR 4 2 95.10 1 4 A LYS 5 2 92.77 1 5 A ILE 6 2 95.60 1 6 A ALA 7 2 97.60 1 7 A ALA 8 2 97.61 1 8 A LEU 9 2 95.28 1 9 A LEU 10 2 94.43 1 10 A ALA 11 2 97.29 1 11 A VAL 12 2 96.77 1 12 A ALA 13 2 97.24 1 13 A ALA 14 2 96.46 1 14 A ALA 15 2 96.61 1 15 A SER 16 2 94.98 1 16 A THR 17 2 93.85 1 17 A GLN 18 2 88.71 1 18 A LEU 19 2 89.32 1 19 A VAL 20 2 92.34 1 20 A SER 21 2 88.80 1 21 A ALA 22 2 85.80 1 22 # _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 SER . 2 A 2 A 3 1 n PHE . 3 A 3 A 4 1 n THR . 4 A 4 A 5 1 n LYS . 5 A 5 A 6 1 n ILE . 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 ALA . 11 A 11 A 12 1 n VAL . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n ALA . 15 A 15 A 16 1 n SER . 16 A 16 A 17 1 n THR . 17 A 17 A 18 1 n GLN . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n VAL . 20 A 20 A 21 1 n SER . 21 A 21 A 22 1 n ALA . 22 A 22 # _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 ? -17.096 1.258 2.616 1.00 87.05 1 A 1 ATOM 2 C CA . MET A 1 1 ? -15.704 1.241 2.123 1.00 87.78 1 A 1 ATOM 3 C C . MET A 1 1 ? -15.615 0.458 0.820 1.00 89.40 1 A 1 ATOM 4 O O . MET A 1 1 ? -16.229 -0.600 0.692 1.00 86.18 1 A 1 ATOM 5 C CB . MET A 1 1 ? -14.773 0.602 3.152 1.00 79.95 1 A 1 ATOM 6 C CG . MET A 1 1 ? -14.730 1.390 4.453 1.00 74.64 1 A 1 ATOM 7 S SD . MET A 1 1 ? -13.680 0.609 5.689 1.00 72.56 1 A 1 ATOM 8 C CE . MET A 1 1 ? -13.882 1.765 7.035 1.00 62.60 1 A 1 ATOM 9 N N . SER A 1 2 ? -14.859 0.963 -0.126 1.00 94.48 2 A 1 ATOM 10 C CA . SER A 1 2 ? -14.722 0.323 -1.426 1.00 96.29 2 A 1 ATOM 11 C C . SER A 1 2 ? -13.430 -0.497 -1.507 1.00 97.17 2 A 1 ATOM 12 O O . SER A 1 2 ? -12.526 -0.336 -0.687 1.00 96.42 2 A 1 ATOM 13 C CB . SER A 1 2 ? -14.734 1.379 -2.525 1.00 94.17 2 A 1 ATOM 14 O OG . SER A 1 2 ? -15.947 2.116 -2.500 1.00 85.09 2 A 1 ATOM 15 N N . PHE A 1 3 ? -13.353 -1.367 -2.511 1.00 94.93 3 A 1 ATOM 16 C CA . PHE A 1 3 ? -12.175 -2.213 -2.734 1.00 96.16 3 A 1 ATOM 17 C C . PHE A 1 3 ? -10.935 -1.366 -3.034 1.00 97.08 3 A 1 ATOM 18 O O . PHE A 1 3 ? -9.831 -1.676 -2.584 1.00 96.23 3 A 1 ATOM 19 C CB . PHE A 1 3 ? -12.461 -3.170 -3.894 1.00 94.70 3 A 1 ATOM 20 C CG . PHE A 1 3 ? -11.243 -3.925 -4.346 1.00 91.70 3 A 1 ATOM 21 C CD1 . PHE A 1 3 ? -10.735 -4.965 -3.581 1.00 89.44 3 A 1 ATOM 22 C CD2 . PHE A 1 3 ? -10.610 -3.587 -5.531 1.00 89.19 3 A 1 ATOM 23 C CE1 . PHE A 1 3 ? -9.606 -5.667 -3.992 1.00 88.33 3 A 1 ATOM 24 C CE2 . PHE A 1 3 ? -9.476 -4.284 -5.951 1.00 87.44 3 A 1 ATOM 25 C CZ . PHE A 1 3 ? -8.978 -5.322 -5.179 1.00 86.70 3 A 1 ATOM 26 N N . THR A 1 4 ? -11.131 -0.283 -3.782 1.00 96.47 4 A 1 ATOM 27 C CA . THR A 1 4 ? -10.034 0.609 -4.153 1.00 96.82 4 A 1 ATOM 28 C C . THR A 1 4 ? -9.389 1.241 -2.921 1.00 97.31 4 A 1 ATOM 29 O O . THR A 1 4 ? -8.180 1.476 -2.894 1.00 96.81 4 A 1 ATOM 30 C CB . THR A 1 4 ? -10.532 1.721 -5.086 1.00 96.01 4 A 1 ATOM 31 O OG1 . THR A 1 4 ? -11.687 2.335 -4.529 1.00 91.90 4 A 1 ATOM 32 C CG2 . THR A 1 4 ? -10.869 1.165 -6.453 1.00 90.37 4 A 1 ATOM 33 N N . LYS A 1 5 ? -10.179 1.494 -1.886 1.00 97.78 5 A 1 ATOM 34 C CA . LYS A 1 5 ? -9.686 2.086 -0.644 1.00 97.97 5 A 1 ATOM 35 C C . LYS A 1 5 ? -8.745 1.117 0.073 1.00 98.01 5 A 1 ATOM 36 O O . LYS A 1 5 ? -7.703 1.514 0.586 1.00 97.80 5 A 1 ATOM 37 C CB . LYS A 1 5 ? -10.867 2.441 0.269 1.00 97.79 5 A 1 ATOM 38 C CG . LYS A 1 5 ? -10.500 3.477 1.321 1.00 93.36 5 A 1 ATOM 39 C CD . LYS A 1 5 ? -11.201 4.800 1.065 1.00 89.74 5 A 1 ATOM 40 C CE . LYS A 1 5 ? -10.925 5.793 2.177 1.00 84.85 5 A 1 ATOM 41 N NZ . LYS A 1 5 ? -11.673 7.067 1.970 1.00 77.60 5 A 1 ATOM 42 N N . ILE A 1 6 ? -9.114 -0.153 0.105 1.00 97.71 6 A 1 ATOM 43 C CA . ILE A 1 6 ? -8.303 -1.185 0.750 1.00 97.53 6 A 1 ATOM 44 C C . ILE A 1 6 ? -6.981 -1.361 0.006 1.00 97.67 6 A 1 ATOM 45 O O . ILE A 1 6 ? -5.919 -1.485 0.621 1.00 97.34 6 A 1 ATOM 46 C CB . ILE A 1 6 ? -9.072 -2.514 0.804 1.00 97.14 6 A 1 ATOM 47 C CG1 . ILE A 1 6 ? -10.373 -2.347 1.600 1.00 94.66 6 A 1 ATOM 48 C CG2 . ILE A 1 6 ? -8.199 -3.596 1.439 1.00 94.16 6 A 1 ATOM 49 C CD1 . ILE A 1 6 ? -11.298 -3.541 1.482 1.00 88.56 6 A 1 ATOM 50 N N . ALA A 1 7 ? -7.048 -1.367 -1.319 1.00 97.85 7 A 1 ATOM 51 C CA . ALA A 1 7 ? -5.852 -1.521 -2.144 1.00 97.73 7 A 1 ATOM 52 C C . ALA A 1 7 ? -4.877 -0.365 -1.928 1.00 97.85 7 A 1 ATOM 53 O O . ALA A 1 7 ? -3.662 -0.568 -1.865 1.00 97.41 7 A 1 ATOM 54 C CB . ALA A 1 7 ? -6.253 -1.601 -3.614 1.00 97.15 7 A 1 ATOM 55 N N . ALA A 1 8 ? -5.405 0.846 -1.794 1.00 97.70 8 A 1 ATOM 56 C CA . ALA A 1 8 ? -4.580 2.030 -1.570 1.00 97.68 8 A 1 ATOM 57 C C . ALA A 1 8 ? -3.865 1.957 -0.221 1.00 97.94 8 A 1 ATOM 58 O O . ALA A 1 8 ? -2.671 2.252 -0.129 1.00 97.47 8 A 1 ATOM 59 C CB . ALA A 1 8 ? -5.445 3.284 -1.647 1.00 97.28 8 A 1 ATOM 60 N N . LEU A 1 9 ? -4.573 1.545 0.822 1.00 97.49 9 A 1 ATOM 61 C CA . LEU A 1 9 ? -3.996 1.422 2.160 1.00 97.39 9 A 1 ATOM 62 C C . LEU A 1 9 ? -2.912 0.350 2.194 1.00 97.70 9 A 1 ATOM 63 O O . LEU A 1 9 ? -1.866 0.530 2.821 1.00 97.55 9 A 1 ATOM 64 C CB . LEU A 1 9 ? -5.100 1.090 3.168 1.00 97.13 9 A 1 ATOM 65 C CG . LEU A 1 9 ? -5.997 2.281 3.509 1.00 92.47 9 A 1 ATOM 66 C CD1 . LEU A 1 9 ? -7.260 1.810 4.220 1.00 91.27 9 A 1 ATOM 67 C CD2 . LEU A 1 9 ? -5.255 3.276 4.389 1.00 91.24 9 A 1 ATOM 68 N N . LEU A 1 10 ? -3.157 -0.751 1.525 1.00 96.88 10 A 1 ATOM 69 C CA . LEU A 1 10 ? -2.195 -1.848 1.473 1.00 96.65 10 A 1 ATOM 70 C C . LEU A 1 10 ? -0.927 -1.430 0.735 1.00 97.12 10 A 1 ATOM 71 O O . LEU A 1 10 ? 0.182 -1.775 1.144 1.00 96.93 10 A 1 ATOM 72 C CB . LEU A 1 10 ? -2.831 -3.057 0.781 1.00 96.01 10 A 1 ATOM 73 C CG . LEU A 1 10 ? -1.960 -4.312 0.818 1.00 90.66 10 A 1 ATOM 74 C CD1 . LEU A 1 10 ? -1.780 -4.805 2.248 1.00 90.51 10 A 1 ATOM 75 C CD2 . LEU A 1 10 ? -2.579 -5.406 -0.033 1.00 90.64 10 A 1 ATOM 76 N N . ALA A 1 11 ? -1.086 -0.683 -0.353 1.00 97.44 11 A 1 ATOM 77 C CA . ALA A 1 11 ? 0.047 -0.208 -1.140 1.00 97.33 11 A 1 ATOM 78 C C . ALA A 1 11 ? 0.923 0.743 -0.328 1.00 97.73 11 A 1 ATOM 79 O O . ALA A 1 11 ? 2.152 0.650 -0.360 1.00 97.15 11 A 1 ATOM 80 C CB . ALA A 1 11 ? -0.458 0.483 -2.402 1.00 96.80 11 A 1 ATOM 81 N N . VAL A 1 12 ? 0.303 1.647 0.418 1.00 97.66 12 A 1 ATOM 82 C CA . VAL A 1 12 ? 1.031 2.599 1.258 1.00 97.63 12 A 1 ATOM 83 C C . VAL A 1 12 ? 1.766 1.868 2.376 1.00 97.83 12 A 1 ATOM 84 O O . VAL A 1 12 ? 2.920 2.179 2.681 1.00 97.38 12 A 1 ATOM 85 C CB . VAL A 1 12 ? 0.078 3.654 1.846 1.00 96.99 12 A 1 ATOM 86 C CG1 . VAL A 1 12 ? 0.807 4.560 2.832 1.00 94.72 12 A 1 ATOM 87 C CG2 . VAL A 1 12 ? -0.525 4.494 0.730 1.00 95.15 12 A 1 ATOM 88 N N . ALA A 1 13 ? 1.111 0.896 2.982 1.00 97.65 13 A 1 ATOM 89 C CA . ALA A 1 13 ? 1.707 0.123 4.066 1.00 97.36 13 A 1 ATOM 90 C C . ALA A 1 13 ? 2.922 -0.661 3.579 1.00 97.54 13 A 1 ATOM 91 O O . ALA A 1 13 ? 3.946 -0.716 4.263 1.00 96.86 13 A 1 ATOM 92 C CB . ALA A 1 13 ? 0.665 -0.828 4.650 1.00 96.81 13 A 1 ATOM 93 N N . ALA A 1 14 ? 2.833 -1.255 2.401 1.00 97.31 14 A 1 ATOM 94 C CA . ALA A 1 14 ? 3.932 -2.025 1.826 1.00 96.71 14 A 1 ATOM 95 C C . ALA A 1 14 ? 5.140 -1.141 1.541 1.00 96.92 14 A 1 ATOM 96 O O . ALA A 1 14 ? 6.279 -1.523 1.814 1.00 95.67 14 A 1 ATOM 97 C CB . ALA A 1 14 ? 3.467 -2.707 0.542 1.00 95.67 14 A 1 ATOM 98 N N . ALA A 1 15 ? 4.901 0.048 0.995 1.00 97.24 15 A 1 ATOM 99 C CA . ALA A 1 15 ? 5.975 0.988 0.686 1.00 96.78 15 A 1 ATOM 100 C C . ALA A 1 15 ? 6.620 1.535 1.956 1.00 97.21 15 A 1 ATOM 101 O O . ALA A 1 15 ? 7.840 1.692 2.026 1.00 95.99 15 A 1 ATOM 102 C CB . ALA A 1 15 ? 5.427 2.130 -0.163 1.00 95.81 15 A 1 ATOM 103 N N . SER A 1 16 ? 5.821 1.813 2.974 1.00 97.21 16 A 1 ATOM 104 C CA . SER A 1 16 ? 6.302 2.353 4.243 1.00 96.91 16 A 1 ATOM 105 C C . SER A 1 16 ? 7.102 1.320 5.029 1.00 97.13 16 A 1 ATOM 106 O O . SER A 1 16 ? 8.062 1.664 5.719 1.00 95.99 16 A 1 ATOM 107 C CB . SER A 1 16 ? 5.124 2.847 5.080 1.00 95.79 16 A 1 ATOM 108 O OG . SER A 1 16 ? 5.581 3.481 6.248 1.00 86.84 16 A 1 ATOM 109 N N . THR A 1 17 ? 6.734 0.057 4.921 1.00 96.82 17 A 1 ATOM 110 C CA . THR A 1 17 ? 7.405 -1.027 5.648 1.00 96.16 17 A 1 ATOM 111 C C . THR A 1 17 ? 8.879 -1.130 5.259 1.00 96.52 17 A 1 ATOM 112 O O . THR A 1 17 ? 9.727 -1.452 6.089 1.00 94.98 17 A 1 ATOM 113 C CB . THR A 1 17 ? 6.709 -2.364 5.372 1.00 94.48 17 A 1 ATOM 114 O OG1 . THR A 1 17 ? 5.353 -2.295 5.805 1.00 89.55 17 A 1 ATOM 115 C CG2 . THR A 1 17 ? 7.390 -3.500 6.122 1.00 88.46 17 A 1 ATOM 116 N N . GLN A 1 18 ? 9.202 -0.843 4.015 1.00 96.21 18 A 1 ATOM 117 C CA . GLN A 1 18 ? 10.580 -0.911 3.535 1.00 95.47 18 A 1 ATOM 118 C C . GLN A 1 18 ? 11.459 0.124 4.232 1.00 95.42 18 A 1 ATOM 119 O O . GLN A 1 18 ? 12.627 -0.139 4.516 1.00 92.63 18 A 1 ATOM 120 C CB . GLN A 1 18 ? 10.621 -0.696 2.024 1.00 94.12 18 A 1 ATOM 121 C CG . GLN A 1 18 ? 9.949 -1.826 1.267 1.00 87.45 18 A 1 ATOM 122 C CD . GLN A 1 18 ? 10.057 -1.645 -0.231 1.00 84.27 18 A 1 ATOM 123 O OE1 . GLN A 1 18 ? 9.610 -0.650 -0.785 1.00 77.97 18 A 1 ATOM 124 N NE2 . GLN A 1 18 ? 10.661 -2.594 -0.917 1.00 74.89 18 A 1 ATOM 125 N N . LEU A 1 19 ? 10.902 1.291 4.516 1.00 94.97 19 A 1 ATOM 126 C CA . LEU A 1 19 ? 11.641 2.354 5.194 1.00 94.47 19 A 1 ATOM 127 C C . LEU A 1 19 ? 11.953 1.976 6.641 1.00 94.68 19 A 1 ATOM 128 O O . LEU A 1 19 ? 13.014 2.315 7.165 1.00 92.48 19 A 1 ATOM 129 C CB . LEU A 1 19 ? 10.834 3.656 5.155 1.00 92.96 19 A 1 ATOM 130 C CG . LEU A 1 19 ? 10.692 4.258 3.754 1.00 85.74 19 A 1 ATOM 131 C CD1 . LEU A 1 19 ? 9.657 5.372 3.759 1.00 81.06 19 A 1 ATOM 132 C CD2 . LEU A 1 19 ? 12.032 4.804 3.270 1.00 78.23 19 A 1 ATOM 133 N N . VAL A 1 20 ? 11.032 1.270 7.282 1.00 95.57 20 A 1 ATOM 134 C CA . VAL A 1 20 ? 11.213 0.830 8.666 1.00 94.84 20 A 1 ATOM 135 C C . VAL A 1 20 ? 12.233 -0.303 8.749 1.00 95.17 20 A 1 ATOM 136 O O . VAL A 1 20 ? 12.982 -0.420 9.724 1.00 93.93 20 A 1 ATOM 137 C CB . VAL A 1 20 ? 9.871 0.384 9.274 1.00 92.51 20 A 1 ATOM 138 C CG1 . VAL A 1 20 ? 10.052 -0.071 10.716 1.00 86.55 20 A 1 ATOM 139 C CG2 . VAL A 1 20 ? 8.857 1.511 9.211 1.00 87.78 20 A 1 ATOM 140 N N . SER A 1 21 ? 12.276 -1.139 7.716 1.00 93.08 21 A 1 ATOM 141 C CA . SER A 1 21 ? 13.195 -2.272 7.668 1.00 91.88 21 A 1 ATOM 142 C C . SER A 1 21 ? 14.584 -1.826 7.220 1.00 91.09 21 A 1 ATOM 143 O O . SER A 1 21 ? 14.946 -1.961 6.050 1.00 87.39 21 A 1 ATOM 144 C CB . SER A 1 21 ? 12.658 -3.342 6.718 1.00 89.49 21 A 1 ATOM 145 O OG . SER A 1 21 ? 11.387 -3.790 7.142 1.00 79.89 21 A 1 ATOM 146 N N . ALA A 1 22 ? 15.379 -1.296 8.178 1.00 92.31 22 A 1 ATOM 147 C CA . ALA A 1 22 ? 16.731 -0.834 7.871 1.00 89.54 22 A 1 ATOM 148 C C . ALA A 1 22 ? 17.652 -1.083 9.065 1.00 86.97 22 A 1 ATOM 149 O O . ALA A 1 22 ? 18.618 -1.851 8.939 1.00 83.10 22 A 1 ATOM 150 C CB . ALA A 1 22 ? 16.710 0.646 7.489 1.00 84.96 22 A 1 ATOM 151 O OXT . ALA A 1 22 ? 17.413 -0.510 10.120 1.00 77.92 22 A 1 #