# 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_spkb14595 # _entry.id spkb14595 # 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" "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" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)O ? "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 LYS 2 1 n LYS 3 1 n PRO 4 1 n LEU 5 1 n GLY 6 1 n LYS 7 1 n ILE 8 1 n VAL 9 1 n ALA 10 1 n SER 11 1 n THR 12 1 n ALA 13 1 n LEU 14 1 n LEU 15 1 n ILE 16 1 n SER 17 1 n VAL 18 1 n ALA 19 1 n PHE 20 1 n SER 21 1 n SER 22 1 n SER 23 1 n ILE 24 1 n ALA 25 1 n SER 26 1 n ALA 27 # _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 10:28:57)" _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 92.43 _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 79.76 1 1 A LYS 2 2 81.70 1 2 A LYS 3 2 82.64 1 3 A PRO 4 2 93.20 1 4 A LEU 5 2 89.61 1 5 A GLY 6 2 96.82 1 6 A LYS 7 2 90.14 1 7 A ILE 8 2 94.55 1 8 A VAL 9 2 96.45 1 9 A ALA 10 2 98.00 1 10 A SER 11 2 95.02 1 11 A THR 12 2 95.81 1 12 A ALA 13 2 97.95 1 13 A LEU 14 2 95.00 1 14 A LEU 15 2 95.20 1 15 A ILE 16 2 96.58 1 16 A SER 17 2 95.91 1 17 A VAL 18 2 96.78 1 18 A ALA 19 2 97.69 1 19 A PHE 20 2 94.46 1 20 A SER 21 2 94.93 1 21 A SER 22 2 94.21 1 22 A SER 23 2 94.01 1 23 A ILE 24 2 93.06 1 24 A ALA 25 2 95.44 1 25 A SER 26 2 88.64 1 26 A ALA 27 2 85.35 1 27 # _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 LYS . 3 A 3 A 4 1 n PRO . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n GLY . 6 A 6 A 7 1 n LYS . 7 A 7 A 8 1 n ILE . 8 A 8 A 9 1 n VAL . 9 A 9 A 10 1 n ALA . 10 A 10 A 11 1 n SER . 11 A 11 A 12 1 n THR . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n ILE . 16 A 16 A 17 1 n SER . 17 A 17 A 18 1 n VAL . 18 A 18 A 19 1 n ALA . 19 A 19 A 20 1 n PHE . 20 A 20 A 21 1 n SER . 21 A 21 A 22 1 n SER . 22 A 22 A 23 1 n SER . 23 A 23 A 24 1 n ILE . 24 A 24 A 25 1 n ALA . 25 A 25 A 26 1 n SER . 26 A 26 A 27 1 n ALA . 27 A 27 # _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 ? -17.503 17.402 5.085 1.00 86.35 1 A 1 ATOM 2 C CA . MET A 1 1 ? -17.275 15.943 4.965 1.00 87.93 1 A 1 ATOM 3 C C . MET A 1 1 ? -15.790 15.666 5.149 1.00 87.87 1 A 1 ATOM 4 O O . MET A 1 1 ? -14.980 16.216 4.407 1.00 82.02 1 A 1 ATOM 5 C CB . MET A 1 1 ? -17.737 15.424 3.600 1.00 82.27 1 A 1 ATOM 6 C CG . MET A 1 1 ? -19.258 15.297 3.532 1.00 77.39 1 A 1 ATOM 7 S SD . MET A 1 1 ? -19.825 14.859 1.876 1.00 70.94 1 A 1 ATOM 8 C CE . MET A 1 1 ? -21.520 14.376 2.225 1.00 63.34 1 A 1 ATOM 9 N N . LYS A 1 2 ? -15.422 14.870 6.138 1.00 90.23 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -14.024 14.466 6.326 1.00 91.21 2 A 1 ATOM 11 C C . LYS A 1 2 ? -13.715 13.336 5.345 1.00 91.22 2 A 1 ATOM 12 O O . LYS A 1 2 ? -14.467 12.368 5.272 1.00 88.24 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -13.772 14.053 7.785 1.00 87.76 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -13.797 15.260 8.740 1.00 79.52 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -13.506 14.843 10.188 1.00 76.95 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -13.485 16.055 11.112 1.00 68.56 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -13.255 15.682 12.533 1.00 61.59 2 A 1 ATOM 18 N N . LYS A 1 3 ? -12.636 13.444 4.583 1.00 91.42 3 A 1 ATOM 19 C CA . LYS A 1 3 ? -12.179 12.354 3.717 1.00 92.13 3 A 1 ATOM 20 C C . LYS A 1 3 ? -11.826 11.141 4.587 1.00 92.78 3 A 1 ATOM 21 O O . LYS A 1 3 ? -11.282 11.325 5.678 1.00 90.51 3 A 1 ATOM 22 C CB . LYS A 1 3 ? -10.980 12.805 2.871 1.00 88.62 3 A 1 ATOM 23 C CG . LYS A 1 3 ? -11.388 13.785 1.755 1.00 80.76 3 A 1 ATOM 24 C CD . LYS A 1 3 ? -10.181 14.171 0.895 1.00 77.27 3 A 1 ATOM 25 C CE . LYS A 1 3 ? -10.597 15.090 -0.254 1.00 68.76 3 A 1 ATOM 26 N NZ . LYS A 1 3 ? -9.434 15.509 -1.085 1.00 61.50 3 A 1 ATOM 27 N N . PRO A 1 4 ? -12.085 9.907 4.132 1.00 93.82 4 A 1 ATOM 28 C CA . PRO A 1 4 ? -11.718 8.700 4.864 1.00 95.14 4 A 1 ATOM 29 C C . PRO A 1 4 ? -10.201 8.473 4.802 1.00 96.14 4 A 1 ATOM 30 O O . PRO A 1 4 ? -9.715 7.519 4.196 1.00 93.91 4 A 1 ATOM 31 C CB . PRO A 1 4 ? -12.544 7.591 4.197 1.00 92.21 4 A 1 ATOM 32 C CG . PRO A 1 4 ? -12.690 8.056 2.757 1.00 89.58 4 A 1 ATOM 33 C CD . PRO A 1 4 ? -12.778 9.571 2.887 1.00 91.62 4 A 1 ATOM 34 N N . LEU A 1 5 ? -9.447 9.368 5.421 1.00 94.24 5 A 1 ATOM 35 C CA . LEU A 1 5 ? -7.986 9.341 5.441 1.00 94.78 5 A 1 ATOM 36 C C . LEU A 1 5 ? -7.456 8.012 5.972 1.00 95.52 5 A 1 ATOM 37 O O . LEU A 1 5 ? -6.471 7.508 5.448 1.00 93.96 5 A 1 ATOM 38 C CB . LEU A 1 5 ? -7.471 10.505 6.298 1.00 93.47 5 A 1 ATOM 39 C CG . LEU A 1 5 ? -7.619 11.882 5.634 1.00 85.54 5 A 1 ATOM 40 C CD1 . LEU A 1 5 ? -7.402 12.988 6.666 1.00 81.04 5 A 1 ATOM 41 C CD2 . LEU A 1 5 ? -6.613 12.068 4.503 1.00 78.30 5 A 1 ATOM 42 N N . GLY A 1 6 ? -8.138 7.407 6.941 1.00 96.56 6 A 1 ATOM 43 C CA . GLY A 1 6 ? -7.726 6.117 7.496 1.00 96.77 6 A 1 ATOM 44 C C . GLY A 1 6 ? -7.642 5.007 6.445 1.00 97.28 6 A 1 ATOM 45 O O . GLY A 1 6 ? -6.695 4.228 6.448 1.00 96.68 6 A 1 ATOM 46 N N . LYS A 1 7 ? -8.597 4.960 5.500 1.00 96.77 7 A 1 ATOM 47 C CA . LYS A 1 7 ? -8.578 3.965 4.417 1.00 97.21 7 A 1 ATOM 48 C C . LYS A 1 7 ? -7.450 4.238 3.421 1.00 97.47 7 A 1 ATOM 49 O O . LYS A 1 7 ? -6.777 3.310 2.979 1.00 97.00 7 A 1 ATOM 50 C CB . LYS A 1 7 ? -9.925 3.929 3.684 1.00 96.75 7 A 1 ATOM 51 C CG . LYS A 1 7 ? -11.059 3.389 4.561 1.00 91.29 7 A 1 ATOM 52 C CD . LYS A 1 7 ? -12.343 3.238 3.740 1.00 85.44 7 A 1 ATOM 53 C CE . LYS A 1 7 ? -13.462 2.634 4.585 1.00 78.17 7 A 1 ATOM 54 N NZ . LYS A 1 7 ? -14.691 2.387 3.786 1.00 71.13 7 A 1 ATOM 55 N N . ILE A 1 8 ? -7.231 5.506 3.091 1.00 96.83 8 A 1 ATOM 56 C CA . ILE A 1 8 ? -6.165 5.920 2.174 1.00 96.99 8 A 1 ATOM 57 C C . ILE A 1 8 ? -4.803 5.619 2.798 1.00 97.32 8 A 1 ATOM 58 O O . ILE A 1 8 ? -3.957 5.001 2.156 1.00 97.11 8 A 1 ATOM 59 C CB . ILE A 1 8 ? -6.314 7.407 1.803 1.00 96.98 8 A 1 ATOM 60 C CG1 . ILE A 1 8 ? -7.656 7.646 1.070 1.00 94.12 8 A 1 ATOM 61 C CG2 . ILE A 1 8 ? -5.136 7.861 0.919 1.00 92.27 8 A 1 ATOM 62 C CD1 . ILE A 1 8 ? -7.994 9.123 0.859 1.00 84.74 8 A 1 ATOM 63 N N . VAL A 1 9 ? -4.615 5.992 4.055 1.00 97.64 9 A 1 ATOM 64 C CA . VAL A 1 9 ? -3.371 5.737 4.790 1.00 97.61 9 A 1 ATOM 65 C C . VAL A 1 9 ? -3.102 4.241 4.903 1.00 97.66 9 A 1 ATOM 66 O O . VAL A 1 9 ? -1.986 3.811 4.629 1.00 97.45 9 A 1 ATOM 67 C CB . VAL A 1 9 ? -3.408 6.407 6.174 1.00 97.09 9 A 1 ATOM 68 C CG1 . VAL A 1 9 ? -2.216 6.009 7.045 1.00 93.92 9 A 1 ATOM 69 C CG2 . VAL A 1 9 ? -3.386 7.927 6.030 1.00 93.79 9 A 1 ATOM 70 N N . ALA A 1 10 ? -4.105 3.438 5.236 1.00 98.18 10 A 1 ATOM 71 C CA . ALA A 1 10 ? -3.946 1.988 5.333 1.00 98.11 10 A 1 ATOM 72 C C . ALA A 1 10 ? -3.546 1.361 3.988 1.00 98.18 10 A 1 ATOM 73 O O . ALA A 1 10 ? -2.609 0.568 3.933 1.00 97.79 10 A 1 ATOM 74 C CB . ALA A 1 10 ? -5.246 1.381 5.868 1.00 97.72 10 A 1 ATOM 75 N N . SER A 1 11 ? -4.207 1.752 2.897 1.00 97.87 11 A 1 ATOM 76 C CA . SER A 1 11 ? -3.885 1.257 1.553 1.00 97.73 11 A 1 ATOM 77 C C . SER A 1 11 ? -2.494 1.706 1.105 1.00 98.01 11 A 1 ATOM 78 O O . SER A 1 11 ? -1.707 0.900 0.616 1.00 97.64 11 A 1 ATOM 79 C CB . SER A 1 11 ? -4.946 1.737 0.564 1.00 97.09 11 A 1 ATOM 80 O OG . SER A 1 11 ? -4.708 1.167 -0.709 1.00 81.78 11 A 1 ATOM 81 N N . THR A 1 12 ? -2.159 2.972 1.325 1.00 97.64 12 A 1 ATOM 82 C CA . THR A 1 12 ? -0.850 3.524 0.964 1.00 97.68 12 A 1 ATOM 83 C C . THR A 1 12 ? 0.262 2.884 1.788 1.00 98.04 12 A 1 ATOM 84 O O . THR A 1 12 ? 1.286 2.503 1.230 1.00 97.63 12 A 1 ATOM 85 C CB . THR A 1 12 ? -0.843 5.045 1.144 1.00 97.04 12 A 1 ATOM 86 O OG1 . THR A 1 12 ? -1.879 5.627 0.387 1.00 92.00 12 A 1 ATOM 87 C CG2 . THR A 1 12 ? 0.447 5.684 0.652 1.00 90.61 12 A 1 ATOM 88 N N . ALA A 1 13 ? 0.063 2.707 3.087 1.00 98.13 13 A 1 ATOM 89 C CA . ALA A 1 13 ? 1.043 2.064 3.961 1.00 98.06 13 A 1 ATOM 90 C C . ALA A 1 13 ? 1.310 0.615 3.543 1.00 98.20 13 A 1 ATOM 91 O O . ALA A 1 13 ? 2.464 0.188 3.518 1.00 97.64 13 A 1 ATOM 92 C CB . ALA A 1 13 ? 0.545 2.133 5.406 1.00 97.71 13 A 1 ATOM 93 N N . LEU A 1 14 ? 0.259 -0.126 3.169 1.00 98.11 14 A 1 ATOM 94 C CA . LEU A 1 14 ? 0.407 -1.490 2.666 1.00 97.99 14 A 1 ATOM 95 C C . LEU A 1 14 ? 1.231 -1.516 1.378 1.00 98.19 14 A 1 ATOM 96 O O . LEU A 1 14 ? 2.182 -2.286 1.264 1.00 97.94 14 A 1 ATOM 97 C CB . LEU A 1 14 ? -0.986 -2.094 2.435 1.00 97.75 14 A 1 ATOM 98 C CG . LEU A 1 14 ? -0.924 -3.619 2.231 1.00 92.13 14 A 1 ATOM 99 C CD1 . LEU A 1 14 ? -1.068 -4.354 3.559 1.00 88.21 14 A 1 ATOM 100 C CD2 . LEU A 1 14 ? -2.039 -4.074 1.292 1.00 89.71 14 A 1 ATOM 101 N N . LEU A 1 15 ? 0.905 -0.649 0.418 1.00 98.11 15 A 1 ATOM 102 C CA . LEU A 1 15 ? 1.626 -0.557 -0.853 1.00 98.07 15 A 1 ATOM 103 C C . LEU A 1 15 ? 3.091 -0.167 -0.646 1.00 98.19 15 A 1 ATOM 104 O O . LEU A 1 15 ? 3.974 -0.778 -1.247 1.00 97.98 15 A 1 ATOM 105 C CB . LEU A 1 15 ? 0.926 0.456 -1.768 1.00 97.74 15 A 1 ATOM 106 C CG . LEU A 1 15 ? -0.411 -0.029 -2.339 1.00 92.75 15 A 1 ATOM 107 C CD1 . LEU A 1 15 ? -1.113 1.126 -3.047 1.00 89.22 15 A 1 ATOM 108 C CD2 . LEU A 1 15 ? -0.217 -1.169 -3.340 1.00 89.56 15 A 1 ATOM 109 N N . ILE A 1 16 ? 3.353 0.803 0.219 1.00 98.20 16 A 1 ATOM 110 C CA . ILE A 1 16 ? 4.714 1.226 0.547 1.00 98.04 16 A 1 ATOM 111 C C . ILE A 1 16 ? 5.483 0.079 1.201 1.00 98.14 16 A 1 ATOM 112 O O . ILE A 1 16 ? 6.619 -0.187 0.818 1.00 97.78 16 A 1 ATOM 113 C CB . ILE A 1 16 ? 4.694 2.478 1.438 1.00 97.73 16 A 1 ATOM 114 C CG1 . ILE A 1 16 ? 4.183 3.694 0.636 1.00 96.07 16 A 1 ATOM 115 C CG2 . ILE A 1 16 ? 6.095 2.789 1.997 1.00 95.19 16 A 1 ATOM 116 C CD1 . ILE A 1 16 ? 3.838 4.899 1.507 1.00 91.46 16 A 1 ATOM 117 N N . SER A 1 17 ? 4.872 -0.633 2.142 1.00 98.13 17 A 1 ATOM 118 C CA . SER A 1 17 ? 5.518 -1.754 2.825 1.00 98.04 17 A 1 ATOM 119 C C . SER A 1 17 ? 5.884 -2.876 1.847 1.00 98.15 17 A 1 ATOM 120 O O . SER A 1 17 ? 6.996 -3.395 1.891 1.00 97.49 17 A 1 ATOM 121 C CB . SER A 1 17 ? 4.608 -2.305 3.924 1.00 97.54 17 A 1 ATOM 122 O OG . SER A 1 17 ? 4.375 -1.325 4.913 1.00 86.09 17 A 1 ATOM 123 N N . VAL A 1 18 ? 4.974 -3.224 0.934 1.00 98.16 18 A 1 ATOM 124 C CA . VAL A 1 18 ? 5.225 -4.248 -0.090 1.00 97.90 18 A 1 ATOM 125 C C . VAL A 1 18 ? 6.296 -3.777 -1.076 1.00 97.95 18 A 1 ATOM 126 O O . VAL A 1 18 ? 7.228 -4.527 -1.368 1.00 97.42 18 A 1 ATOM 127 C CB . VAL A 1 18 ? 3.921 -4.620 -0.818 1.00 97.32 18 A 1 ATOM 128 C CG1 . VAL A 1 18 ? 4.170 -5.563 -1.997 1.00 94.37 18 A 1 ATOM 129 C CG2 . VAL A 1 18 ? 2.954 -5.318 0.137 1.00 94.31 18 A 1 ATOM 130 N N . ALA A 1 19 ? 6.200 -2.541 -1.555 1.00 98.05 19 A 1 ATOM 131 C CA . ALA A 1 19 ? 7.177 -1.976 -2.484 1.00 97.87 19 A 1 ATOM 132 C C . ALA A 1 19 ? 8.572 -1.901 -1.856 1.00 97.79 19 A 1 ATOM 133 O O . ALA A 1 19 ? 9.554 -2.288 -2.487 1.00 97.18 19 A 1 ATOM 134 C CB . ALA A 1 19 ? 6.694 -0.594 -2.930 1.00 97.56 19 A 1 ATOM 135 N N . PHE A 1 20 ? 8.654 -1.458 -0.601 1.00 97.15 20 A 1 ATOM 136 C CA . PHE A 1 20 ? 9.915 -1.383 0.124 1.00 97.26 20 A 1 ATOM 137 C C . PHE A 1 20 ? 10.508 -2.769 0.356 1.00 97.67 20 A 1 ATOM 138 O O . PHE A 1 20 ? 11.678 -2.993 0.049 1.00 97.45 20 A 1 ATOM 139 C CB . PHE A 1 20 ? 9.698 -0.633 1.436 1.00 97.02 20 A 1 ATOM 140 C CG . PHE A 1 20 ? 10.998 -0.230 2.094 1.00 95.17 20 A 1 ATOM 141 C CD1 . PHE A 1 20 ? 11.701 0.887 1.619 1.00 91.56 20 A 1 ATOM 142 C CD2 . PHE A 1 20 ? 11.521 -0.971 3.161 1.00 92.42 20 A 1 ATOM 143 C CE1 . PHE A 1 20 ? 12.921 1.259 2.202 1.00 90.91 20 A 1 ATOM 144 C CE2 . PHE A 1 20 ? 12.748 -0.602 3.749 1.00 90.98 20 A 1 ATOM 145 C CZ . PHE A 1 20 ? 13.444 0.511 3.263 1.00 91.44 20 A 1 ATOM 146 N N . SER A 1 21 ? 9.697 -3.726 0.801 1.00 97.62 21 A 1 ATOM 147 C CA . SER A 1 21 ? 10.144 -5.109 0.994 1.00 97.46 21 A 1 ATOM 148 C C . SER A 1 21 ? 10.634 -5.734 -0.316 1.00 97.57 21 A 1 ATOM 149 O O . SER A 1 21 ? 11.693 -6.356 -0.345 1.00 96.47 21 A 1 ATOM 150 C CB . SER A 1 21 ? 9.007 -5.941 1.583 1.00 96.40 21 A 1 ATOM 151 O OG . SER A 1 21 ? 9.464 -7.236 1.901 1.00 84.06 21 A 1 ATOM 152 N N . SER A 1 22 ? 9.906 -5.523 -1.421 1.00 97.54 22 A 1 ATOM 153 C CA . SER A 1 22 ? 10.301 -6.007 -2.748 1.00 97.08 22 A 1 ATOM 154 C C . SER A 1 22 ? 11.588 -5.338 -3.237 1.00 97.16 22 A 1 ATOM 155 O O . SER A 1 22 ? 12.462 -6.010 -3.782 1.00 95.55 22 A 1 ATOM 156 C CB . SER A 1 22 ? 9.167 -5.769 -3.742 1.00 95.72 22 A 1 ATOM 157 O OG . SER A 1 22 ? 9.478 -6.359 -4.986 1.00 82.19 22 A 1 ATOM 158 N N . SER A 1 23 ? 11.735 -4.030 -3.014 1.00 97.07 23 A 1 ATOM 159 C CA . SER A 1 23 ? 12.938 -3.286 -3.388 1.00 96.99 23 A 1 ATOM 160 C C . SER A 1 23 ? 14.163 -3.771 -2.611 1.00 97.17 23 A 1 ATOM 161 O O . SER A 1 23 ? 15.209 -4.000 -3.209 1.00 95.59 23 A 1 ATOM 162 C CB . SER A 1 23 ? 12.724 -1.795 -3.163 1.00 95.55 23 A 1 ATOM 163 O OG . SER A 1 23 ? 13.808 -1.070 -3.697 1.00 81.68 23 A 1 ATOM 164 N N . ILE A 1 24 ? 14.026 -3.981 -1.306 1.00 97.06 24 A 1 ATOM 165 C CA . ILE A 1 24 ? 15.107 -4.510 -0.461 1.00 96.69 24 A 1 ATOM 166 C C . ILE A 1 24 ? 15.480 -5.934 -0.869 1.00 96.71 24 A 1 ATOM 167 O O . ILE A 1 24 ? 16.658 -6.269 -0.934 1.00 96.36 24 A 1 ATOM 168 C CB . ILE A 1 24 ? 14.710 -4.432 1.021 1.00 95.74 24 A 1 ATOM 169 C CG1 . ILE A 1 24 ? 14.569 -2.967 1.501 1.00 90.61 24 A 1 ATOM 170 C CG2 . ILE A 1 24 ? 15.693 -5.186 1.923 1.00 88.28 24 A 1 ATOM 171 C CD1 . ILE A 1 24 ? 15.878 -2.170 1.554 1.00 83.00 24 A 1 ATOM 172 N N . ALA A 1 25 ? 14.492 -6.770 -1.185 1.00 96.15 25 A 1 ATOM 173 C CA . ALA A 1 25 ? 14.742 -8.139 -1.636 1.00 95.75 25 A 1 ATOM 174 C C . ALA A 1 25 ? 15.418 -8.194 -3.018 1.00 95.96 25 A 1 ATOM 175 O O . ALA A 1 25 ? 16.101 -9.166 -3.326 1.00 94.97 25 A 1 ATOM 176 C CB . ALA A 1 25 ? 13.417 -8.899 -1.645 1.00 94.37 25 A 1 ATOM 177 N N . SER A 1 26 ? 15.222 -7.165 -3.849 1.00 92.91 26 A 1 ATOM 178 C CA . SER A 1 26 ? 15.813 -7.070 -5.183 1.00 92.55 26 A 1 ATOM 179 C C . SER A 1 26 ? 17.166 -6.363 -5.196 1.00 91.95 26 A 1 ATOM 180 O O . SER A 1 26 ? 17.883 -6.472 -6.194 1.00 87.92 26 A 1 ATOM 181 C CB . SER A 1 26 ? 14.848 -6.350 -6.123 1.00 89.63 26 A 1 ATOM 182 O OG . SER A 1 26 ? 15.340 -6.379 -7.450 1.00 76.86 26 A 1 ATOM 183 N N . ALA A 1 27 ? 17.499 -5.623 -4.142 1.00 91.64 27 A 1 ATOM 184 C CA . ALA A 1 27 ? 18.753 -4.871 -4.036 1.00 90.13 27 A 1 ATOM 185 C C . ALA A 1 27 ? 19.877 -5.766 -3.501 1.00 86.56 27 A 1 ATOM 186 O O . ALA A 1 27 ? 21.006 -5.665 -4.020 1.00 82.13 27 A 1 ATOM 187 C CB . ALA A 1 27 ? 18.527 -3.646 -3.146 1.00 85.42 27 A 1 ATOM 188 O OXT . ALA A 1 27 ? 19.615 -6.540 -2.555 1.00 76.24 27 A 1 #