# 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_spkb22287 # _entry.id spkb22287 # 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" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "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 GLN 2 1 n PHE 3 1 n THR 4 1 n LYS 5 1 n LEU 6 1 n ALA 7 1 n THR 8 1 n VAL 9 1 n LEU 10 1 n ILE 11 1 n VAL 12 1 n SER 13 1 n LEU 14 1 n MET 15 1 n GLY 16 1 n SER 17 1 n ALA 18 1 n ALA 19 1 n ILE 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 @ 2025-07-08 07:42:55)" _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 93.89 _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 85.96 1 1 A GLN 2 2 89.34 1 2 A PHE 3 2 92.33 1 3 A THR 4 2 94.88 1 4 A LYS 5 2 92.72 1 5 A LEU 6 2 95.21 1 6 A ALA 7 2 98.11 1 7 A THR 8 2 96.44 1 8 A VAL 9 2 97.78 1 9 A LEU 10 2 95.37 1 10 A ILE 11 2 96.67 1 11 A VAL 12 2 97.56 1 12 A SER 13 2 96.52 1 13 A LEU 14 2 95.27 1 14 A MET 15 2 91.57 1 15 A GLY 16 2 97.02 1 16 A SER 17 2 94.86 1 17 A ALA 18 2 96.65 1 18 A ALA 19 2 95.97 1 19 A ILE 20 2 92.02 1 20 A ALA 21 2 85.98 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 GLN . 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 LEU . 6 A 6 A 7 1 n ALA . 7 A 7 A 8 1 n THR . 8 A 8 A 9 1 n VAL . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n ILE . 11 A 11 A 12 1 n VAL . 12 A 12 A 13 1 n SER . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n MET . 15 A 15 A 16 1 n GLY . 16 A 16 A 17 1 n SER . 17 A 17 A 18 1 n ALA . 18 A 18 A 19 1 n ALA . 19 A 19 A 20 1 n ILE . 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 ? -11.336 -3.486 11.042 1.00 91.57 1 A 1 ATOM 2 C CA . MET A 1 1 ? -10.288 -2.447 11.124 1.00 93.17 1 A 1 ATOM 3 C C . MET A 1 1 ? -10.095 -1.809 9.755 1.00 93.97 1 A 1 ATOM 4 O O . MET A 1 1 ? -9.563 -2.446 8.853 1.00 90.74 1 A 1 ATOM 5 C CB . MET A 1 1 ? -8.966 -3.056 11.603 1.00 88.62 1 A 1 ATOM 6 C CG . MET A 1 1 ? -8.953 -3.282 13.110 1.00 83.68 1 A 1 ATOM 7 S SD . MET A 1 1 ? -7.452 -4.129 13.645 1.00 78.01 1 A 1 ATOM 8 C CE . MET A 1 1 ? -7.523 -3.836 15.411 1.00 67.91 1 A 1 ATOM 9 N N . GLN A 1 2 ? -10.567 -0.584 9.589 1.00 95.54 2 A 1 ATOM 10 C CA . GLN A 1 2 ? -10.422 0.135 8.316 1.00 96.39 2 A 1 ATOM 11 C C . GLN A 1 2 ? -9.034 0.772 8.183 1.00 97.08 2 A 1 ATOM 12 O O . GLN A 1 2 ? -8.612 1.128 7.088 1.00 95.86 2 A 1 ATOM 13 C CB . GLN A 1 2 ? -11.519 1.195 8.206 1.00 94.68 2 A 1 ATOM 14 C CG . GLN A 1 2 ? -12.913 0.572 8.106 1.00 87.17 2 A 1 ATOM 15 C CD . GLN A 1 2 ? -14.000 1.625 7.944 1.00 84.04 2 A 1 ATOM 16 O OE1 . GLN A 1 2 ? -13.740 2.814 7.876 1.00 78.02 2 A 1 ATOM 17 N NE2 . GLN A 1 2 ? -15.242 1.226 7.884 1.00 75.24 2 A 1 ATOM 18 N N . PHE A 1 3 ? -8.321 0.884 9.283 1.00 96.20 3 A 1 ATOM 19 C CA . PHE A 1 3 ? -6.987 1.483 9.319 1.00 96.97 3 A 1 ATOM 20 C C . PHE A 1 3 ? -5.967 0.667 8.523 1.00 97.72 3 A 1 ATOM 21 O O . PHE A 1 3 ? -5.051 1.227 7.923 1.00 97.19 3 A 1 ATOM 22 C CB . PHE A 1 3 ? -6.557 1.616 10.779 1.00 96.01 3 A 1 ATOM 23 C CG . PHE A 1 3 ? -5.292 2.416 10.930 1.00 92.50 3 A 1 ATOM 24 C CD1 . PHE A 1 3 ? -5.325 3.808 10.816 1.00 89.10 3 A 1 ATOM 25 C CD2 . PHE A 1 3 ? -4.078 1.780 11.176 1.00 88.70 3 A 1 ATOM 26 C CE1 . PHE A 1 3 ? -4.158 4.561 10.941 1.00 87.76 3 A 1 ATOM 27 C CE2 . PHE A 1 3 ? -2.901 2.528 11.299 1.00 87.45 3 A 1 ATOM 28 C CZ . PHE A 1 3 ? -2.943 3.919 11.180 1.00 86.06 3 A 1 ATOM 29 N N . THR A 1 4 ? -6.161 -0.648 8.470 1.00 96.79 4 A 1 ATOM 30 C CA . THR A 1 4 ? -5.258 -1.549 7.744 1.00 96.94 4 A 1 ATOM 31 C C . THR A 1 4 ? -5.223 -1.218 6.255 1.00 97.48 4 A 1 ATOM 32 O O . THR A 1 4 ? -4.162 -1.266 5.636 1.00 97.16 4 A 1 ATOM 33 C CB . THR A 1 4 ? -5.696 -3.005 7.933 1.00 96.27 4 A 1 ATOM 34 O OG1 . THR A 1 4 ? -5.995 -3.238 9.298 1.00 90.91 4 A 1 ATOM 35 C CG2 . THR A 1 4 ? -4.609 -3.981 7.513 1.00 88.64 4 A 1 ATOM 36 N N . LYS A 1 5 ? -6.366 -0.853 5.680 1.00 97.09 5 A 1 ATOM 37 C CA . LYS A 1 5 ? -6.444 -0.503 4.261 1.00 97.40 5 A 1 ATOM 38 C C . LYS A 1 5 ? -5.692 0.801 3.981 1.00 97.77 5 A 1 ATOM 39 O O . LYS A 1 5 ? -4.926 0.868 3.020 1.00 97.86 5 A 1 ATOM 40 C CB . LYS A 1 5 ? -7.911 -0.436 3.827 1.00 97.29 5 A 1 ATOM 41 C CG . LYS A 1 5 ? -8.026 -0.465 2.303 1.00 92.65 5 A 1 ATOM 42 C CD . LYS A 1 5 ? -9.478 -0.604 1.857 1.00 89.49 5 A 1 ATOM 43 C CE . LYS A 1 5 ? -9.544 -0.707 0.335 1.00 85.85 5 A 1 ATOM 44 N NZ . LYS A 1 5 ? -10.941 -0.846 -0.153 1.00 79.08 5 A 1 ATOM 45 N N . LEU A 1 6 ? -5.859 1.794 4.834 1.00 97.60 6 A 1 ATOM 46 C CA . LEU A 1 6 ? -5.135 3.061 4.712 1.00 97.79 6 A 1 ATOM 47 C C . LEU A 1 6 ? -3.630 2.853 4.875 1.00 98.16 6 A 1 ATOM 48 O O . LEU A 1 6 ? -2.845 3.389 4.098 1.00 98.02 6 A 1 ATOM 49 C CB . LEU A 1 6 ? -5.640 4.066 5.751 1.00 97.46 6 A 1 ATOM 50 C CG . LEU A 1 6 ? -6.694 5.028 5.204 1.00 92.57 6 A 1 ATOM 51 C CD1 . LEU A 1 6 ? -8.061 4.368 5.119 1.00 89.90 6 A 1 ATOM 52 C CD2 . LEU A 1 6 ? -6.775 6.264 6.089 1.00 90.18 6 A 1 ATOM 53 N N . ALA A 1 7 ? -3.244 2.049 5.854 1.00 98.03 7 A 1 ATOM 54 C CA . ALA A 1 7 ? -1.839 1.735 6.091 1.00 98.14 7 A 1 ATOM 55 C C . ALA A 1 7 ? -1.224 1.009 4.889 1.00 98.36 7 A 1 ATOM 56 O O . ALA A 1 7 ? -0.114 1.332 4.473 1.00 98.15 7 A 1 ATOM 57 C CB . ALA A 1 7 ? -1.728 0.892 7.361 1.00 97.87 7 A 1 ATOM 58 N N . THR A 1 8 ? -1.964 0.075 4.295 1.00 97.76 8 A 1 ATOM 59 C CA . THR A 1 8 ? -1.500 -0.656 3.112 1.00 97.91 8 A 1 ATOM 60 C C . THR A 1 8 ? -1.289 0.290 1.934 1.00 98.22 8 A 1 ATOM 61 O O . THR A 1 8 ? -0.254 0.226 1.276 1.00 98.02 8 A 1 ATOM 62 C CB . THR A 1 8 ? -2.494 -1.757 2.728 1.00 97.56 8 A 1 ATOM 63 O OG1 . THR A 1 8 ? -2.669 -2.643 3.818 1.00 93.36 8 A 1 ATOM 64 C CG2 . THR A 1 8 ? -1.993 -2.590 1.556 1.00 92.22 8 A 1 ATOM 65 N N . VAL A 1 9 ? -2.232 1.178 1.685 1.00 98.34 9 A 1 ATOM 66 C CA . VAL A 1 9 ? -2.109 2.164 0.602 1.00 98.36 9 A 1 ATOM 67 C C . VAL A 1 9 ? -0.900 3.070 0.833 1.00 98.47 9 A 1 ATOM 68 O O . VAL A 1 9 ? -0.148 3.344 -0.104 1.00 98.31 9 A 1 ATOM 69 C CB . VAL A 1 9 ? -3.404 2.988 0.472 1.00 98.09 9 A 1 ATOM 70 C CG1 . VAL A 1 9 ? -3.247 4.153 -0.505 1.00 96.58 9 A 1 ATOM 71 C CG2 . VAL A 1 9 ? -4.545 2.104 -0.026 1.00 96.31 9 A 1 ATOM 72 N N . LEU A 1 10 ? -0.696 3.484 2.063 1.00 98.08 10 A 1 ATOM 73 C CA . LEU A 1 10 ? 0.445 4.328 2.417 1.00 97.93 10 A 1 ATOM 74 C C . LEU A 1 10 ? 1.772 3.604 2.175 1.00 98.16 10 A 1 ATOM 75 O O . LEU A 1 10 ? 2.686 4.171 1.579 1.00 98.16 10 A 1 ATOM 76 C CB . LEU A 1 10 ? 0.311 4.749 3.885 1.00 97.65 10 A 1 ATOM 77 C CG . LEU A 1 10 ? 1.257 5.889 4.263 1.00 92.17 10 A 1 ATOM 78 C CD1 . LEU A 1 10 ? 0.718 7.229 3.768 1.00 89.79 10 A 1 ATOM 79 C CD2 . LEU A 1 10 ? 1.423 5.946 5.777 1.00 91.01 10 A 1 ATOM 80 N N . ILE A 1 11 ? 1.861 2.349 2.592 1.00 98.13 11 A 1 ATOM 81 C CA . ILE A 1 11 ? 3.066 1.533 2.415 1.00 98.04 11 A 1 ATOM 82 C C . ILE A 1 11 ? 3.340 1.299 0.931 1.00 98.16 11 A 1 ATOM 83 O O . ILE A 1 11 ? 4.477 1.447 0.478 1.00 98.00 11 A 1 ATOM 84 C CB . ILE A 1 11 ? 2.924 0.205 3.180 1.00 97.81 11 A 1 ATOM 85 C CG1 . ILE A 1 11 ? 2.944 0.464 4.699 1.00 96.32 11 A 1 ATOM 86 C CG2 . ILE A 1 11 ? 4.052 -0.773 2.809 1.00 95.85 11 A 1 ATOM 87 C CD1 . ILE A 1 11 ? 2.413 -0.706 5.517 1.00 91.05 11 A 1 ATOM 88 N N . VAL A 1 12 ? 2.308 0.965 0.164 1.00 98.35 12 A 1 ATOM 89 C CA . VAL A 1 12 ? 2.443 0.745 -1.280 1.00 98.21 12 A 1 ATOM 90 C C . VAL A 1 12 ? 2.894 2.028 -1.976 1.00 98.26 12 A 1 ATOM 91 O O . VAL A 1 12 ? 3.769 1.985 -2.843 1.00 97.95 12 A 1 ATOM 92 C CB . VAL A 1 12 ? 1.122 0.220 -1.871 1.00 97.81 12 A 1 ATOM 93 C CG1 . VAL A 1 12 ? 1.147 0.181 -3.398 1.00 96.08 12 A 1 ATOM 94 C CG2 . VAL A 1 12 ? 0.846 -1.195 -1.372 1.00 96.27 12 A 1 ATOM 95 N N . SER A 1 13 ? 2.351 3.158 -1.584 1.00 98.14 13 A 1 ATOM 96 C CA . SER A 1 13 ? 2.750 4.453 -2.139 1.00 97.96 13 A 1 ATOM 97 C C . SER A 1 13 ? 4.207 4.776 -1.804 1.00 98.04 13 A 1 ATOM 98 O O . SER A 1 13 ? 4.946 5.250 -2.665 1.00 97.52 13 A 1 ATOM 99 C CB . SER A 1 13 ? 1.840 5.560 -1.613 1.00 97.47 13 A 1 ATOM 100 O OG . SER A 1 13 ? 0.511 5.342 -2.030 1.00 89.99 13 A 1 ATOM 101 N N . LEU A 1 14 ? 4.620 4.475 -0.587 1.00 98.14 14 A 1 ATOM 102 C CA . LEU A 1 14 ? 6.003 4.681 -0.157 1.00 97.95 14 A 1 ATOM 103 C C . LEU A 1 14 ? 6.961 3.780 -0.935 1.00 97.99 14 A 1 ATOM 104 O O . LEU A 1 14 ? 7.992 4.244 -1.423 1.00 97.63 14 A 1 ATOM 105 C CB . LEU A 1 14 ? 6.095 4.413 1.349 1.00 97.61 14 A 1 ATOM 106 C CG . LEU A 1 14 ? 7.435 4.834 1.957 1.00 92.53 14 A 1 ATOM 107 C CD1 . LEU A 1 14 ? 7.527 6.351 2.078 1.00 89.65 14 A 1 ATOM 108 C CD2 . LEU A 1 14 ? 7.596 4.214 3.338 1.00 90.68 14 A 1 ATOM 109 N N . MET A 1 15 ? 6.607 2.503 -1.089 1.00 97.46 15 A 1 ATOM 110 C CA . MET A 1 15 ? 7.400 1.544 -1.862 1.00 96.89 15 A 1 ATOM 111 C C . MET A 1 15 ? 7.490 1.952 -3.330 1.00 96.89 15 A 1 ATOM 112 O O . MET A 1 15 ? 8.567 1.917 -3.918 1.00 95.56 15 A 1 ATOM 113 C CB . MET A 1 15 ? 6.788 0.144 -1.738 1.00 95.56 15 A 1 ATOM 114 C CG . MET A 1 15 ? 7.734 -0.819 -1.049 1.00 90.97 15 A 1 ATOM 115 S SD . MET A 1 15 ? 7.149 -2.518 -1.097 1.00 84.58 15 A 1 ATOM 116 C CE . MET A 1 15 ? 8.606 -3.364 -0.468 1.00 74.65 15 A 1 ATOM 117 N N . GLY A 1 16 ? 6.374 2.370 -3.909 1.00 96.99 16 A 1 ATOM 118 C CA . GLY A 1 16 ? 6.342 2.848 -5.289 1.00 96.78 16 A 1 ATOM 119 C C . GLY A 1 16 ? 7.210 4.082 -5.483 1.00 97.37 16 A 1 ATOM 120 O O . GLY A 1 16 ? 7.969 4.156 -6.448 1.00 96.95 16 A 1 ATOM 121 N N . SER A 1 17 ? 7.155 5.017 -4.554 1.00 97.15 17 A 1 ATOM 122 C CA . SER A 1 17 ? 7.982 6.225 -4.600 1.00 97.15 17 A 1 ATOM 123 C C . SER A 1 17 ? 9.470 5.893 -4.498 1.00 97.53 17 A 1 ATOM 124 O O . SER A 1 17 ? 10.283 6.465 -5.219 1.00 96.44 17 A 1 ATOM 125 C CB . SER A 1 17 ? 7.574 7.173 -3.476 1.00 95.81 17 A 1 ATOM 126 O OG . SER A 1 17 ? 8.235 8.403 -3.621 1.00 85.08 17 A 1 ATOM 127 N N . ALA A 1 18 ? 9.826 4.942 -3.643 1.00 96.83 18 A 1 ATOM 128 C CA . ALA A 1 18 ? 11.209 4.496 -3.495 1.00 96.79 18 A 1 ATOM 129 C C . ALA A 1 18 ? 11.712 3.769 -4.745 1.00 97.36 18 A 1 ATOM 130 O O . ALA A 1 18 ? 12.883 3.883 -5.091 1.00 96.57 18 A 1 ATOM 131 C CB . ALA A 1 18 ? 11.317 3.601 -2.263 1.00 95.69 18 A 1 ATOM 132 N N . ALA A 1 19 ? 10.839 3.040 -5.439 1.00 96.16 19 A 1 ATOM 133 C CA . ALA A 1 19 ? 11.198 2.331 -6.663 1.00 96.28 19 A 1 ATOM 134 C C . ALA A 1 19 ? 11.416 3.279 -7.849 1.00 96.85 19 A 1 ATOM 135 O O . ALA A 1 19 ? 12.146 2.942 -8.779 1.00 95.58 19 A 1 ATOM 136 C CB . ALA A 1 19 ? 10.112 1.303 -6.979 1.00 95.00 19 A 1 ATOM 137 N N . ILE A 1 20 ? 10.780 4.444 -7.832 1.00 95.38 20 A 1 ATOM 138 C CA . ILE A 1 20 ? 10.940 5.460 -8.878 1.00 95.31 20 A 1 ATOM 139 C C . ILE A 1 20 ? 12.213 6.283 -8.661 1.00 95.63 20 A 1 ATOM 140 O O . ILE A 1 20 ? 12.758 6.843 -9.612 1.00 94.61 20 A 1 ATOM 141 C CB . ILE A 1 20 ? 9.683 6.350 -8.935 1.00 94.06 20 A 1 ATOM 142 C CG1 . ILE A 1 20 ? 8.460 5.521 -9.360 1.00 90.92 20 A 1 ATOM 143 C CG2 . ILE A 1 20 ? 9.848 7.521 -9.912 1.00 88.24 20 A 1 ATOM 144 C CD1 . ILE A 1 20 ? 7.126 6.191 -9.026 1.00 82.04 20 A 1 ATOM 145 N N . ALA A 1 21 ? 12.684 6.345 -7.422 1.00 91.86 21 A 1 ATOM 146 C CA . ALA A 1 21 ? 13.889 7.088 -7.076 1.00 89.85 21 A 1 ATOM 147 C C . ALA A 1 21 ? 15.159 6.428 -7.628 1.00 87.35 21 A 1 ATOM 148 O O . ALA A 1 21 ? 15.199 5.191 -7.744 1.00 83.39 21 A 1 ATOM 149 C CB . ALA A 1 21 ? 13.964 7.265 -5.562 1.00 85.37 21 A 1 ATOM 150 O OXT . ALA A 1 21 ? 16.113 7.170 -7.927 1.00 78.08 21 A 1 #