# 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_spkb31639 # _entry.id spkb31639 # 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" "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 LYS 2 1 n LYS 3 1 n LYS 4 1 n LYS 5 1 n LEU 6 1 n PHE 7 1 n LEU 8 1 n GLY 9 1 n THR 10 1 n ILE 11 1 n ILE 12 1 n SER 13 1 n CYS 14 1 n VAL 15 1 n VAL 16 1 n LEU 17 1 n ALA 18 1 n LEU 19 1 n SER 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 @ 2025-07-13 06:19:24)" _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 90.68 _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 81.85 1 1 A LYS 2 2 83.37 1 2 A LYS 3 2 83.80 1 3 A LYS 4 2 83.89 1 4 A LYS 5 2 84.46 1 5 A LEU 6 2 86.09 1 6 A PHE 7 2 89.70 1 7 A LEU 8 2 91.62 1 8 A GLY 9 2 96.48 1 9 A THR 10 2 94.86 1 10 A ILE 11 2 94.74 1 11 A ILE 12 2 95.07 1 12 A SER 13 2 94.75 1 13 A CYS 14 2 96.49 1 14 A VAL 15 2 96.38 1 15 A VAL 16 2 96.85 1 16 A LEU 17 2 95.03 1 17 A ALA 18 2 97.72 1 18 A LEU 19 2 92.85 1 19 A SER 20 2 93.56 1 20 A ALA 21 2 88.71 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 LYS . 3 A 3 A 4 1 n LYS . 4 A 4 A 5 1 n LYS . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n PHE . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n GLY . 9 A 9 A 10 1 n THR . 10 A 10 A 11 1 n ILE . 11 A 11 A 12 1 n ILE . 12 A 12 A 13 1 n SER . 13 A 13 A 14 1 n CYS . 14 A 14 A 15 1 n VAL . 15 A 15 A 16 1 n VAL . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n ALA . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n SER . 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 ? 0.623 5.058 14.665 1.00 87.00 1 A 1 ATOM 2 C CA . MET A 1 1 ? 1.809 4.542 13.942 1.00 90.43 1 A 1 ATOM 3 C C . MET A 1 1 ? 1.477 3.254 13.195 1.00 90.69 1 A 1 ATOM 4 O O . MET A 1 1 ? 1.815 3.104 12.024 1.00 85.78 1 A 1 ATOM 5 C CB . MET A 1 1 ? 2.950 4.289 14.933 1.00 85.84 1 A 1 ATOM 6 C CG . MET A 1 1 ? 3.348 5.576 15.651 1.00 79.15 1 A 1 ATOM 7 S SD . MET A 1 1 ? 4.594 5.310 16.900 1.00 71.02 1 A 1 ATOM 8 C CE . MET A 1 1 ? 4.542 6.884 17.733 1.00 64.91 1 A 1 ATOM 9 N N . LYS A 1 2 ? 0.797 2.331 13.874 1.00 91.37 2 A 1 ATOM 10 C CA . LYS A 1 2 ? 0.401 1.064 13.245 1.00 92.66 2 A 1 ATOM 11 C C . LYS A 1 2 ? -0.649 1.286 12.159 1.00 93.09 2 A 1 ATOM 12 O O . LYS A 1 2 ? -0.700 0.552 11.174 1.00 91.40 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -0.144 0.113 14.314 1.00 89.96 2 A 1 ATOM 14 C CG . LYS A 1 2 ? 0.931 -0.305 15.309 1.00 80.10 2 A 1 ATOM 15 C CD . LYS A 1 2 ? 0.369 -1.269 16.336 1.00 78.54 2 A 1 ATOM 16 C CE . LYS A 1 2 ? 1.445 -1.701 17.313 1.00 70.24 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? 0.900 -2.632 18.336 1.00 62.94 2 A 1 ATOM 18 N N . LYS A 1 3 ? -1.473 2.302 12.325 1.00 92.04 3 A 1 ATOM 19 C CA . LYS A 1 3 ? -2.522 2.615 11.344 1.00 93.54 3 A 1 ATOM 20 C C . LYS A 1 3 ? -1.915 2.965 9.986 1.00 93.65 3 A 1 ATOM 21 O O . LYS A 1 3 ? -2.501 2.672 8.945 1.00 91.58 3 A 1 ATOM 22 C CB . LYS A 1 3 ? -3.378 3.778 11.857 1.00 90.85 3 A 1 ATOM 23 C CG . LYS A 1 3 ? -4.139 3.397 13.124 1.00 81.07 3 A 1 ATOM 24 C CD . LYS A 1 3 ? -5.029 4.538 13.582 1.00 79.09 3 A 1 ATOM 25 C CE . LYS A 1 3 ? -5.785 4.160 14.843 1.00 69.44 3 A 1 ATOM 26 N NZ . LYS A 1 3 ? -6.671 5.264 15.299 1.00 62.91 3 A 1 ATOM 27 N N . LYS A 1 4 ? -0.743 3.571 9.995 1.00 92.51 4 A 1 ATOM 28 C CA . LYS A 1 4 ? -0.061 3.935 8.749 1.00 93.53 4 A 1 ATOM 29 C C . LYS A 1 4 ? 0.334 2.684 7.969 1.00 94.30 4 A 1 ATOM 30 O O . LYS A 1 4 ? 0.344 2.694 6.740 1.00 92.35 4 A 1 ATOM 31 C CB . LYS A 1 4 ? 1.172 4.785 9.065 1.00 92.06 4 A 1 ATOM 32 C CG . LYS A 1 4 ? 0.779 6.124 9.688 1.00 82.77 4 A 1 ATOM 33 C CD . LYS A 1 4 ? 1.982 7.034 9.846 1.00 78.10 4 A 1 ATOM 34 C CE . LYS A 1 4 ? 1.558 8.380 10.409 1.00 68.68 4 A 1 ATOM 35 N NZ . LYS A 1 4 ? 2.691 9.339 10.447 1.00 60.69 4 A 1 ATOM 36 N N . LYS A 1 5 ? 0.647 1.621 8.680 1.00 91.84 5 A 1 ATOM 37 C CA . LYS A 1 5 ? 1.007 0.353 8.041 1.00 93.91 5 A 1 ATOM 38 C C . LYS A 1 5 ? -0.190 -0.190 7.255 1.00 94.92 5 A 1 ATOM 39 O O . LYS A 1 5 ? -0.031 -0.688 6.138 1.00 93.01 5 A 1 ATOM 40 C CB . LYS A 1 5 ? 1.453 -0.633 9.123 1.00 92.88 5 A 1 ATOM 41 C CG . LYS A 1 5 ? 1.803 -2.017 8.588 1.00 83.24 5 A 1 ATOM 42 C CD . LYS A 1 5 ? 2.925 -1.987 7.573 1.00 78.97 5 A 1 ATOM 43 C CE . LYS A 1 5 ? 3.440 -3.385 7.259 1.00 69.54 5 A 1 ATOM 44 N NZ . LYS A 1 5 ? 2.348 -4.280 6.806 1.00 61.82 5 A 1 ATOM 45 N N . LEU A 1 6 ? -1.385 -0.088 7.830 1.00 90.15 6 A 1 ATOM 46 C CA . LEU A 1 6 ? -2.608 -0.529 7.160 1.00 91.19 6 A 1 ATOM 47 C C . LEU A 1 6 ? -2.893 0.344 5.942 1.00 93.83 6 A 1 ATOM 48 O O . LEU A 1 6 ? -3.287 -0.158 4.887 1.00 92.81 6 A 1 ATOM 49 C CB . LEU A 1 6 ? -3.775 -0.467 8.153 1.00 90.56 6 A 1 ATOM 50 C CG . LEU A 1 6 ? -4.148 -1.841 8.702 1.00 78.61 6 A 1 ATOM 51 C CD1 . LEU A 1 6 ? -4.908 -1.703 10.010 1.00 75.16 6 A 1 ATOM 52 C CD2 . LEU A 1 6 ? -5.003 -2.590 7.685 1.00 76.40 6 A 1 ATOM 53 N N . PHE A 1 7 ? -2.673 1.648 6.083 1.00 91.82 7 A 1 ATOM 54 C CA . PHE A 1 7 ? -2.871 2.586 4.982 1.00 92.52 7 A 1 ATOM 55 C C . PHE A 1 7 ? -1.976 2.220 3.810 1.00 94.31 7 A 1 ATOM 56 O O . PHE A 1 7 ? -2.414 2.231 2.658 1.00 94.23 7 A 1 ATOM 57 C CB . PHE A 1 7 ? -2.556 4.007 5.459 1.00 93.28 7 A 1 ATOM 58 C CG . PHE A 1 7 ? -3.783 4.889 5.465 1.00 89.66 7 A 1 ATOM 59 C CD1 . PHE A 1 7 ? -4.670 4.857 6.529 1.00 85.73 7 A 1 ATOM 60 C CD2 . PHE A 1 7 ? -4.033 5.733 4.391 1.00 86.62 7 A 1 ATOM 61 C CE1 . PHE A 1 7 ? -5.803 5.666 6.527 1.00 85.62 7 A 1 ATOM 62 C CE2 . PHE A 1 7 ? -5.167 6.545 4.381 1.00 86.58 7 A 1 ATOM 63 C CZ . PHE A 1 7 ? -6.049 6.514 5.452 1.00 86.30 7 A 1 ATOM 64 N N . LEU A 1 8 ? -0.729 1.871 4.105 1.00 95.77 8 A 1 ATOM 65 C CA . LEU A 1 8 ? 0.221 1.479 3.070 1.00 95.87 8 A 1 ATOM 66 C C . LEU A 1 8 ? -0.250 0.212 2.359 1.00 96.31 8 A 1 ATOM 67 O O . LEU A 1 8 ? -0.128 0.097 1.142 1.00 95.76 8 A 1 ATOM 68 C CB . LEU A 1 8 ? 1.597 1.257 3.699 1.00 96.05 8 A 1 ATOM 69 C CG . LEU A 1 8 ? 2.714 1.894 2.874 1.00 87.47 8 A 1 ATOM 70 C CD1 . LEU A 1 8 ? 2.799 3.386 3.170 1.00 82.27 8 A 1 ATOM 71 C CD2 . LEU A 1 8 ? 4.046 1.226 3.182 1.00 83.46 8 A 1 ATOM 72 N N . GLY A 1 9 ? -0.789 -0.728 3.120 1.00 96.66 9 A 1 ATOM 73 C CA . GLY A 1 9 ? -1.292 -1.975 2.547 1.00 96.13 9 A 1 ATOM 74 C C . GLY A 1 9 ? -2.399 -1.725 1.532 1.00 96.82 9 A 1 ATOM 75 O O . GLY A 1 9 ? -2.424 -2.332 0.463 1.00 96.32 9 A 1 ATOM 76 N N . THR A 1 10 ? -3.301 -0.812 1.855 1.00 96.89 10 A 1 ATOM 77 C CA . THR A 1 10 ? -4.401 -0.472 0.946 1.00 97.15 10 A 1 ATOM 78 C C . THR A 1 10 ? -3.870 0.180 -0.328 1.00 97.54 10 A 1 ATOM 79 O O . THR A 1 10 ? -4.338 -0.121 -1.429 1.00 96.94 10 A 1 ATOM 80 C CB . THR A 1 10 ? -5.380 0.476 1.643 1.00 96.65 10 A 1 ATOM 81 O OG1 . THR A 1 10 ? -5.762 -0.075 2.892 1.00 90.18 10 A 1 ATOM 82 C CG2 . THR A 1 10 ? -6.641 0.665 0.814 1.00 88.65 10 A 1 ATOM 83 N N . ILE A 1 11 ? -2.889 1.055 -0.183 1.00 96.95 11 A 1 ATOM 84 C CA . ILE A 1 11 ? -2.290 1.733 -1.334 1.00 97.03 11 A 1 ATOM 85 C C . ILE A 1 11 ? -1.589 0.718 -2.235 1.00 97.05 11 A 1 ATOM 86 O O . ILE A 1 11 ? -1.709 0.777 -3.459 1.00 96.45 11 A 1 ATOM 87 C CB . ILE A 1 11 ? -1.307 2.816 -0.857 1.00 96.90 11 A 1 ATOM 88 C CG1 . ILE A 1 11 ? -2.065 3.937 -0.131 1.00 93.71 11 A 1 ATOM 89 C CG2 . ILE A 1 11 ? -0.540 3.401 -2.051 1.00 92.75 11 A 1 ATOM 90 C CD1 . ILE A 1 11 ? -1.157 4.821 0.705 1.00 87.05 11 A 1 ATOM 91 N N . ILE A 1 12 ? -0.868 -0.211 -1.630 1.00 97.42 12 A 1 ATOM 92 C CA . ILE A 1 12 ? -0.156 -1.238 -2.395 1.00 97.25 12 A 1 ATOM 93 C C . ILE A 1 12 ? -1.143 -2.055 -3.226 1.00 97.16 12 A 1 ATOM 94 O O . ILE A 1 12 ? -0.870 -2.371 -4.386 1.00 96.75 12 A 1 ATOM 95 C CB . ILE A 1 12 ? 0.645 -2.143 -1.444 1.00 97.08 12 A 1 ATOM 96 C CG1 . ILE A 1 12 ? 1.810 -1.360 -0.825 1.00 93.90 12 A 1 ATOM 97 C CG2 . ILE A 1 12 ? 1.198 -3.361 -2.198 1.00 93.04 12 A 1 ATOM 98 C CD1 . ILE A 1 12 ? 2.373 -2.028 0.422 1.00 87.98 12 A 1 ATOM 99 N N . SER A 1 13 ? -2.283 -2.374 -2.650 1.00 97.38 13 A 1 ATOM 100 C CA . SER A 1 13 ? -3.311 -3.132 -3.365 1.00 97.25 13 A 1 ATOM 101 C C . SER A 1 13 ? -3.777 -2.378 -4.614 1.00 97.57 13 A 1 ATOM 102 O O . SER A 1 13 ? -3.932 -2.968 -5.683 1.00 96.89 13 A 1 ATOM 103 C CB . SER A 1 13 ? -4.495 -3.392 -2.440 1.00 96.30 13 A 1 ATOM 104 O OG . SER A 1 13 ? -5.410 -4.247 -3.073 1.00 83.13 13 A 1 ATOM 105 N N . CYS A 1 14 ? -3.977 -1.074 -4.485 1.00 97.56 14 A 1 ATOM 106 C CA . CYS A 1 14 ? -4.389 -0.244 -5.617 1.00 97.75 14 A 1 ATOM 107 C C . CYS A 1 14 ? -3.278 -0.150 -6.662 1.00 98.03 14 A 1 ATOM 108 O O . CYS A 1 14 ? -3.547 -0.168 -7.860 1.00 97.24 14 A 1 ATOM 109 C CB . CYS A 1 14 ? -4.754 1.150 -5.112 1.00 97.15 14 A 1 ATOM 110 S SG . CYS A 1 14 ? -6.352 1.132 -4.269 1.00 91.21 14 A 1 ATOM 111 N N . VAL A 1 15 ? -2.039 -0.049 -6.200 1.00 97.56 15 A 1 ATOM 112 C CA . VAL A 1 15 ? -0.890 0.048 -7.109 1.00 97.58 15 A 1 ATOM 113 C C . VAL A 1 15 ? -0.741 -1.240 -7.914 1.00 97.91 15 A 1 ATOM 114 O O . VAL A 1 15 ? -0.502 -1.197 -9.123 1.00 97.39 15 A 1 ATOM 115 C CB . VAL A 1 15 ? 0.394 0.343 -6.317 1.00 96.94 15 A 1 ATOM 116 C CG1 . VAL A 1 15 ? 1.622 0.275 -7.217 1.00 93.59 15 A 1 ATOM 117 C CG2 . VAL A 1 15 ? 0.310 1.729 -5.689 1.00 93.71 15 A 1 ATOM 118 N N . VAL A 1 16 ? -0.891 -2.376 -7.252 1.00 98.01 16 A 1 ATOM 119 C CA . VAL A 1 16 ? -0.787 -3.674 -7.931 1.00 97.97 16 A 1 ATOM 120 C C . VAL A 1 16 ? -1.872 -3.796 -8.997 1.00 98.08 16 A 1 ATOM 121 O O . VAL A 1 16 ? -1.620 -4.282 -10.100 1.00 97.55 16 A 1 ATOM 122 C CB . VAL A 1 16 ? -0.898 -4.818 -6.913 1.00 97.35 16 A 1 ATOM 123 C CG1 . VAL A 1 16 ? -0.993 -6.168 -7.610 1.00 94.13 16 A 1 ATOM 124 C CG2 . VAL A 1 16 ? 0.314 -4.814 -5.992 1.00 94.86 16 A 1 ATOM 125 N N . LEU A 1 17 ? -3.064 -3.346 -8.665 1.00 98.07 17 A 1 ATOM 126 C CA . LEU A 1 17 ? -4.175 -3.373 -9.618 1.00 97.90 17 A 1 ATOM 127 C C . LEU A 1 17 ? -3.879 -2.477 -10.819 1.00 98.00 17 A 1 ATOM 128 O O . LEU A 1 17 ? -4.137 -2.854 -11.963 1.00 97.57 17 A 1 ATOM 129 C CB . LEU A 1 17 ? -5.455 -2.918 -8.917 1.00 97.58 17 A 1 ATOM 130 C CG . LEU A 1 17 ? -6.712 -3.362 -9.670 1.00 92.73 17 A 1 ATOM 131 C CD1 . LEU A 1 17 ? -7.081 -4.792 -9.274 1.00 88.21 17 A 1 ATOM 132 C CD2 . LEU A 1 17 ? -7.870 -2.431 -9.354 1.00 90.16 17 A 1 ATOM 133 N N . ALA A 1 18 ? -3.331 -1.300 -10.564 1.00 97.97 18 A 1 ATOM 134 C CA . ALA A 1 18 ? -2.989 -0.354 -11.628 1.00 97.91 18 A 1 ATOM 135 C C . ALA A 1 18 ? -1.891 -0.916 -12.532 1.00 98.00 18 A 1 ATOM 136 O O . ALA A 1 18 ? -1.925 -0.725 -13.745 1.00 97.31 18 A 1 ATOM 137 C CB . ALA A 1 18 ? -2.547 0.969 -11.010 1.00 97.41 18 A 1 ATOM 138 N N . LEU A 1 19 ? -0.920 -1.620 -11.936 1.00 96.48 19 A 1 ATOM 139 C CA . LEU A 1 19 ? 0.166 -2.230 -12.710 1.00 96.52 19 A 1 ATOM 140 C C . LEU A 1 19 ? -0.355 -3.370 -13.576 1.00 96.90 19 A 1 ATOM 141 O O . LEU A 1 19 ? 0.113 -3.564 -14.703 1.00 95.87 19 A 1 ATOM 142 C CB . LEU A 1 19 ? 1.241 -2.740 -11.745 1.00 95.76 19 A 1 ATOM 143 C CG . LEU A 1 19 ? 2.265 -1.661 -11.386 1.00 91.71 19 A 1 ATOM 144 C CD1 . LEU A 1 19 ? 2.980 -2.026 -10.086 1.00 84.52 19 A 1 ATOM 145 C CD2 . LEU A 1 19 ? 3.287 -1.521 -12.505 1.00 85.05 19 A 1 ATOM 146 N N . SER A 1 20 ? -1.311 -4.117 -13.059 1.00 96.57 20 A 1 ATOM 147 C CA . SER A 1 20 ? -1.907 -5.231 -13.799 1.00 96.32 20 A 1 ATOM 148 C C . SER A 1 20 ? -2.850 -4.736 -14.894 1.00 96.18 20 A 1 ATOM 149 O O . SER A 1 20 ? -2.996 -5.379 -15.934 1.00 93.38 20 A 1 ATOM 150 C CB . SER A 1 20 ? -2.658 -6.146 -12.835 1.00 94.68 20 A 1 ATOM 151 O OG . SER A 1 20 ? -3.094 -7.297 -13.504 1.00 84.20 20 A 1 ATOM 152 N N . ALA A 1 21 ? -3.488 -3.609 -14.661 1.00 94.62 21 A 1 ATOM 153 C CA . ALA A 1 21 ? -4.445 -3.037 -15.600 1.00 93.20 21 A 1 ATOM 154 C C . ALA A 1 21 ? -3.755 -2.085 -16.577 1.00 91.36 21 A 1 ATOM 155 O O . ALA A 1 21 ? -3.128 -1.124 -16.123 1.00 85.98 21 A 1 ATOM 156 C CB . ALA A 1 21 ? -5.556 -2.324 -14.844 1.00 89.01 21 A 1 ATOM 157 O OXT . ALA A 1 21 ? -3.883 -2.286 -17.787 1.00 78.11 21 A 1 #