# 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_spkb41225 # _entry.id spkb41225 # 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" "C6 H15 N4 O2" 175.209 ARG y ARGININE C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N ? "L-PEPTIDE LINKING" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=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" "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 ILE 2 1 n THR 3 1 n MET 4 1 n LYS 5 1 n ASN 6 1 n ILE 7 1 n LEU 8 1 n LYS 9 1 n LEU 10 1 n ARG 11 1 n ALA 12 1 n THR 13 1 n GLY 14 1 n LEU 15 1 n LEU 16 1 n LEU 17 1 n LEU 18 1 n LEU 19 1 n LEU 20 1 n LEU 21 1 n MET 22 1 n ILE 23 1 n SER 24 1 n VAL 25 1 n LEU 26 1 n GLY 27 1 n ASN 28 1 n GLY 29 1 n ILE 30 1 n GLY 31 1 n GLN 32 1 n ALA 33 1 n MET 34 1 n ALA 35 # _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 @ 2025-07-05 20:14:22)" _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 86.96 _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 71.49 1 1 A ILE 2 2 75.74 1 2 A THR 3 2 82.28 1 3 A MET 4 2 83.97 1 4 A LYS 5 2 82.91 1 5 A ASN 6 2 85.45 1 6 A ILE 7 2 88.72 1 7 A LEU 8 2 86.58 1 8 A LYS 9 2 83.33 1 9 A LEU 10 2 85.84 1 10 A ARG 11 2 81.11 1 11 A ALA 12 2 95.07 1 12 A THR 13 2 91.16 1 13 A GLY 14 2 95.59 1 14 A LEU 15 2 90.64 1 15 A LEU 16 2 91.96 1 16 A LEU 17 2 90.86 1 17 A LEU 18 2 92.09 1 18 A LEU 19 2 91.46 1 19 A LEU 20 2 90.43 1 20 A LEU 21 2 88.08 1 21 A MET 22 2 88.07 1 22 A ILE 23 2 92.94 1 23 A SER 24 2 91.06 1 24 A VAL 25 2 93.02 1 25 A LEU 26 2 89.82 1 26 A GLY 27 2 94.61 1 27 A ASN 28 2 88.46 1 28 A GLY 29 2 92.80 1 29 A ILE 30 2 86.13 1 30 A GLY 31 2 91.59 1 31 A GLN 32 2 82.16 1 32 A ALA 33 2 89.20 1 33 A MET 34 2 81.10 1 34 A ALA 35 2 78.52 1 35 # _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 ILE . 2 A 2 A 3 1 n THR . 3 A 3 A 4 1 n MET . 4 A 4 A 5 1 n LYS . 5 A 5 A 6 1 n ASN . 6 A 6 A 7 1 n ILE . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n LYS . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n ARG . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n THR . 13 A 13 A 14 1 n GLY . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n LEU . 20 A 20 A 21 1 n LEU . 21 A 21 A 22 1 n MET . 22 A 22 A 23 1 n ILE . 23 A 23 A 24 1 n SER . 24 A 24 A 25 1 n VAL . 25 A 25 A 26 1 n LEU . 26 A 26 A 27 1 n GLY . 27 A 27 A 28 1 n ASN . 28 A 28 A 29 1 n GLY . 29 A 29 A 30 1 n ILE . 30 A 30 A 31 1 n GLY . 31 A 31 A 32 1 n GLN . 32 A 32 A 33 1 n ALA . 33 A 33 A 34 1 n MET . 34 A 34 A 35 1 n ALA . 35 A 35 # _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 ? -17.544 -14.596 15.297 1.00 79.94 1 A 1 ATOM 2 C CA . MET A 1 1 ? -17.847 -13.156 15.472 1.00 81.24 1 A 1 ATOM 3 C C . MET A 1 1 ? -16.560 -12.373 15.209 1.00 79.80 1 A 1 ATOM 4 O O . MET A 1 1 ? -15.652 -12.415 16.023 1.00 71.76 1 A 1 ATOM 5 C CB . MET A 1 1 ? -18.414 -12.936 16.885 1.00 74.04 1 A 1 ATOM 6 C CG . MET A 1 1 ? -18.983 -11.532 17.134 1.00 66.47 1 A 1 ATOM 7 S SD . MET A 1 1 ? -19.816 -11.462 18.746 1.00 61.31 1 A 1 ATOM 8 C CE . MET A 1 1 ? -20.196 -9.699 18.883 1.00 57.38 1 A 1 ATOM 9 N N . ILE A 1 2 ? -16.417 -11.757 14.045 1.00 82.23 2 A 1 ATOM 10 C CA . ILE A 1 2 ? -15.226 -10.962 13.702 1.00 82.54 2 A 1 ATOM 11 C C . ILE A 1 2 ? -15.348 -9.643 14.461 1.00 83.54 2 A 1 ATOM 12 O O . ILE A 1 2 ? -16.287 -8.879 14.238 1.00 79.46 2 A 1 ATOM 13 C CB . ILE A 1 2 ? -15.104 -10.761 12.179 1.00 77.67 2 A 1 ATOM 14 C CG1 . ILE A 1 2 ? -15.023 -12.119 11.445 1.00 70.07 2 A 1 ATOM 15 C CG2 . ILE A 1 2 ? -13.867 -9.901 11.856 1.00 67.73 2 A 1 ATOM 16 C CD1 . ILE A 1 2 ? -15.045 -12.011 9.912 1.00 62.65 2 A 1 ATOM 17 N N . THR A 1 3 ? -14.456 -9.394 15.404 1.00 86.42 3 A 1 ATOM 18 C CA . THR A 1 3 ? -14.501 -8.183 16.227 1.00 87.73 3 A 1 ATOM 19 C C . THR A 1 3 ? -14.133 -6.965 15.377 1.00 88.26 3 A 1 ATOM 20 O O . THR A 1 3 ? -13.194 -7.019 14.579 1.00 85.96 3 A 1 ATOM 21 C CB . THR A 1 3 ? -13.590 -8.309 17.458 1.00 83.64 3 A 1 ATOM 22 O OG1 . THR A 1 3 ? -12.279 -8.651 17.085 1.00 72.67 3 A 1 ATOM 23 C CG2 . THR A 1 3 ? -14.075 -9.378 18.433 1.00 71.30 3 A 1 ATOM 24 N N . MET A 1 4 ? -14.844 -5.844 15.561 1.00 91.72 4 A 1 ATOM 25 C CA . MET A 1 4 ? -14.566 -4.589 14.835 1.00 92.03 4 A 1 ATOM 26 C C . MET A 1 4 ? -13.089 -4.168 14.918 1.00 92.44 4 A 1 ATOM 27 O O . MET A 1 4 ? -12.543 -3.628 13.957 1.00 90.36 4 A 1 ATOM 28 C CB . MET A 1 4 ? -15.439 -3.451 15.383 1.00 88.87 4 A 1 ATOM 29 C CG . MET A 1 4 ? -16.916 -3.577 14.989 1.00 79.17 4 A 1 ATOM 30 S SD . MET A 1 4 ? -17.846 -2.083 15.427 1.00 73.05 4 A 1 ATOM 31 C CE . MET A 1 4 ? -19.504 -2.531 14.865 1.00 64.14 4 A 1 ATOM 32 N N . LYS A 1 5 ? -12.405 -4.495 16.027 1.00 92.39 5 A 1 ATOM 33 C CA . LYS A 1 5 ? -10.965 -4.256 16.206 1.00 91.41 5 A 1 ATOM 34 C C . LYS A 1 5 ? -10.107 -4.984 15.166 1.00 92.30 5 A 1 ATOM 35 O O . LYS A 1 5 ? -9.137 -4.410 14.674 1.00 91.62 5 A 1 ATOM 36 C CB . LYS A 1 5 ? -10.529 -4.661 17.625 1.00 89.64 5 A 1 ATOM 37 C CG . LYS A 1 5 ? -11.127 -3.753 18.714 1.00 80.33 5 A 1 ATOM 38 C CD . LYS A 1 5 ? -10.587 -4.113 20.109 1.00 76.67 5 A 1 ATOM 39 C CE . LYS A 1 5 ? -11.169 -3.174 21.169 1.00 69.22 5 A 1 ATOM 40 N NZ . LYS A 1 5 ? -10.667 -3.474 22.543 1.00 62.59 5 A 1 ATOM 41 N N . ASN A 1 6 ? -10.467 -6.219 14.794 1.00 92.44 6 A 1 ATOM 42 C CA . ASN A 1 6 ? -9.727 -6.987 13.792 1.00 91.52 6 A 1 ATOM 43 C C . ASN A 1 6 ? -9.954 -6.432 12.382 1.00 92.52 6 A 1 ATOM 44 O O . ASN A 1 6 ? -9.006 -6.344 11.611 1.00 91.65 6 A 1 ATOM 45 C CB . ASN A 1 6 ? -10.102 -8.475 13.889 1.00 89.30 6 A 1 ATOM 46 C CG . ASN A 1 6 ? -9.519 -9.161 15.111 1.00 80.40 6 A 1 ATOM 47 O OD1 . ASN A 1 6 ? -8.796 -8.592 15.910 1.00 71.78 6 A 1 ATOM 48 N ND2 . ASN A 1 6 ? -9.827 -10.428 15.292 1.00 73.96 6 A 1 ATOM 49 N N . ILE A 1 7 ? -11.177 -5.987 12.070 1.00 92.99 7 A 1 ATOM 50 C CA . ILE A 1 7 ? -11.497 -5.333 10.792 1.00 92.80 7 A 1 ATOM 51 C C . ILE A 1 7 ? -10.729 -4.017 10.662 1.00 93.16 7 A 1 ATOM 52 O O . ILE A 1 7 ? -10.127 -3.747 9.622 1.00 92.46 7 A 1 ATOM 53 C CB . ILE A 1 7 ? -13.019 -5.113 10.657 1.00 92.18 7 A 1 ATOM 54 C CG1 . ILE A 1 7 ? -13.769 -6.465 10.700 1.00 86.94 7 A 1 ATOM 55 C CG2 . ILE A 1 7 ? -13.343 -4.357 9.355 1.00 83.93 7 A 1 ATOM 56 C CD1 . ILE A 1 7 ? -15.292 -6.332 10.719 1.00 75.32 7 A 1 ATOM 57 N N . LEU A 1 8 ? -10.692 -3.214 11.729 1.00 93.43 8 A 1 ATOM 58 C CA . LEU A 1 8 ? -9.965 -1.944 11.743 1.00 92.05 8 A 1 ATOM 59 C C . LEU A 1 8 ? -8.456 -2.149 11.573 1.00 92.72 8 A 1 ATOM 60 O O . LEU A 1 8 ? -7.833 -1.447 10.775 1.00 92.66 8 A 1 ATOM 61 C CB . LEU A 1 8 ? -10.295 -1.197 13.041 1.00 91.97 8 A 1 ATOM 62 C CG . LEU A 1 8 ? -9.728 0.234 13.085 1.00 79.16 8 A 1 ATOM 63 C CD1 . LEU A 1 8 ? -10.369 1.138 12.034 1.00 75.24 8 A 1 ATOM 64 C CD2 . LEU A 1 8 ? -9.982 0.837 14.466 1.00 75.44 8 A 1 ATOM 65 N N . LYS A 1 9 ? -7.874 -3.146 12.264 1.00 92.35 9 A 1 ATOM 66 C CA . LYS A 1 9 ? -6.464 -3.524 12.095 1.00 90.85 9 A 1 ATOM 67 C C . LYS A 1 9 ? -6.175 -3.982 10.670 1.00 92.04 9 A 1 ATOM 68 O O . LYS A 1 9 ? -5.232 -3.483 10.063 1.00 92.12 9 A 1 ATOM 69 C CB . LYS A 1 9 ? -6.066 -4.613 13.096 1.00 90.03 9 A 1 ATOM 70 C CG . LYS A 1 9 ? -5.836 -4.051 14.506 1.00 79.92 9 A 1 ATOM 71 C CD . LYS A 1 9 ? -5.396 -5.177 15.448 1.00 77.97 9 A 1 ATOM 72 C CE . LYS A 1 9 ? -5.096 -4.623 16.844 1.00 70.32 9 A 1 ATOM 73 N NZ . LYS A 1 9 ? -4.466 -5.660 17.713 1.00 64.40 9 A 1 ATOM 74 N N . LEU A 1 10 ? -7.011 -4.857 10.109 1.00 92.33 10 A 1 ATOM 75 C CA . LEU A 1 10 ? -6.848 -5.348 8.739 1.00 91.18 10 A 1 ATOM 76 C C . LEU A 1 10 ? -6.912 -4.204 7.717 1.00 92.52 10 A 1 ATOM 77 O O . LEU A 1 10 ? -6.093 -4.140 6.802 1.00 92.50 10 A 1 ATOM 78 C CB . LEU A 1 10 ? -7.926 -6.411 8.472 1.00 90.56 10 A 1 ATOM 79 C CG . LEU A 1 10 ? -7.779 -7.120 7.114 1.00 78.29 10 A 1 ATOM 80 C CD1 . LEU A 1 10 ? -6.499 -7.957 7.046 1.00 74.08 10 A 1 ATOM 81 C CD2 . LEU A 1 10 ? -8.976 -8.047 6.897 1.00 75.28 10 A 1 ATOM 82 N N . ARG A 1 11 ? -7.846 -3.262 7.910 1.00 93.66 11 A 1 ATOM 83 C CA . ARG A 1 11 ? -7.968 -2.070 7.059 1.00 93.06 11 A 1 ATOM 84 C C . ARG A 1 11 ? -6.748 -1.158 7.167 1.00 94.92 11 A 1 ATOM 85 O O . ARG A 1 11 ? -6.262 -0.689 6.141 1.00 94.40 11 A 1 ATOM 86 C CB . ARG A 1 11 ? -9.275 -1.338 7.409 1.00 92.34 11 A 1 ATOM 87 C CG . ARG A 1 11 ? -9.593 -0.230 6.396 1.00 84.31 11 A 1 ATOM 88 C CD . ARG A 1 11 ? -10.938 0.417 6.729 1.00 79.98 11 A 1 ATOM 89 N NE . ARG A 1 11 ? -11.294 1.447 5.727 1.00 72.99 11 A 1 ATOM 90 C CZ . ARG A 1 11 ? -12.358 2.231 5.761 1.00 66.72 11 A 1 ATOM 91 N NH1 . ARG A 1 11 ? -13.221 2.184 6.737 1.00 61.93 11 A 1 ATOM 92 N NH2 . ARG A 1 11 ? -12.577 3.089 4.799 1.00 57.93 11 A 1 ATOM 93 N N . ALA A 1 12 ? -6.229 -0.939 8.380 1.00 94.59 12 A 1 ATOM 94 C CA . ALA A 1 12 ? -5.017 -0.149 8.593 1.00 95.09 12 A 1 ATOM 95 C C . ALA A 1 12 ? -3.787 -0.808 7.945 1.00 95.92 12 A 1 ATOM 96 O O . ALA A 1 12 ? -3.027 -0.131 7.254 1.00 95.49 12 A 1 ATOM 97 C CB . ALA A 1 12 ? -4.821 0.061 10.099 1.00 94.25 12 A 1 ATOM 98 N N . THR A 1 13 ? -3.631 -2.131 8.090 1.00 95.24 13 A 1 ATOM 99 C CA . THR A 1 13 ? -2.548 -2.880 7.433 1.00 94.96 13 A 1 ATOM 100 C C . THR A 1 13 ? -2.673 -2.837 5.910 1.00 95.93 13 A 1 ATOM 101 O O . THR A 1 13 ? -1.671 -2.642 5.231 1.00 95.02 13 A 1 ATOM 102 C CB . THR A 1 13 ? -2.530 -4.340 7.912 1.00 93.93 13 A 1 ATOM 103 O OG1 . THR A 1 13 ? -2.437 -4.384 9.318 1.00 83.86 13 A 1 ATOM 104 C CG2 . THR A 1 13 ? -1.331 -5.123 7.384 1.00 79.19 13 A 1 ATOM 105 N N . GLY A 1 14 ? -3.890 -2.950 5.370 1.00 95.04 14 A 1 ATOM 106 C CA . GLY A 1 14 ? -4.126 -2.827 3.928 1.00 94.88 14 A 1 ATOM 107 C C . GLY A 1 14 ? -3.765 -1.443 3.379 1.00 96.24 14 A 1 ATOM 108 O O . GLY A 1 14 ? -3.108 -1.346 2.342 1.00 96.19 14 A 1 ATOM 109 N N . LEU A 1 15 ? -4.127 -0.380 4.097 1.00 96.09 15 A 1 ATOM 110 C CA . LEU A 1 15 ? -3.745 0.990 3.732 1.00 95.72 15 A 1 ATOM 111 C C . LEU A 1 15 ? -2.227 1.203 3.804 1.00 96.68 15 A 1 ATOM 112 O O . LEU A 1 15 ? -1.662 1.833 2.913 1.00 97.02 15 A 1 ATOM 113 C CB . LEU A 1 15 ? -4.459 1.989 4.659 1.00 95.29 15 A 1 ATOM 114 C CG . LEU A 1 15 ? -5.952 2.181 4.345 1.00 83.93 15 A 1 ATOM 115 C CD1 . LEU A 1 15 ? -6.610 2.976 5.469 1.00 78.84 15 A 1 ATOM 116 C CD2 . LEU A 1 15 ? -6.169 2.940 3.035 1.00 81.55 15 A 1 ATOM 117 N N . LEU A 1 16 ? -1.569 0.649 4.830 1.00 96.37 16 A 1 ATOM 118 C CA . LEU A 1 16 ? -0.113 0.711 4.957 1.00 96.24 16 A 1 ATOM 119 C C . LEU A 1 16 ? 0.578 -0.005 3.792 1.00 96.85 16 A 1 ATOM 120 O O . LEU A 1 16 ? 1.503 0.546 3.201 1.00 97.33 16 A 1 ATOM 121 C CB . LEU A 1 16 ? 0.289 0.109 6.313 1.00 96.10 16 A 1 ATOM 122 C CG . LEU A 1 16 ? 1.802 0.192 6.599 1.00 87.93 16 A 1 ATOM 123 C CD1 . LEU A 1 16 ? 2.273 1.637 6.767 1.00 81.75 16 A 1 ATOM 124 C CD2 . LEU A 1 16 ? 2.114 -0.572 7.887 1.00 83.14 16 A 1 ATOM 125 N N . LEU A 1 17 ? 0.098 -1.201 3.432 1.00 96.82 17 A 1 ATOM 126 C CA . LEU A 1 17 ? 0.633 -1.965 2.301 1.00 96.45 17 A 1 ATOM 127 C C . LEU A 1 17 ? 0.454 -1.215 0.972 1.00 96.98 17 A 1 ATOM 128 O O . LEU A 1 17 ? 1.378 -1.170 0.163 1.00 97.31 17 A 1 ATOM 129 C CB . LEU A 1 17 ? -0.066 -3.334 2.266 1.00 96.17 17 A 1 ATOM 130 C CG . LEU A 1 17 ? 0.568 -4.314 1.259 1.00 84.04 17 A 1 ATOM 131 C CD1 . LEU A 1 17 ? 1.939 -4.799 1.737 1.00 78.50 17 A 1 ATOM 132 C CD2 . LEU A 1 17 ? -0.341 -5.532 1.091 1.00 80.64 17 A 1 ATOM 133 N N . LEU A 1 18 ? -0.710 -0.589 0.774 1.00 96.74 18 A 1 ATOM 134 C CA . LEU A 1 18 ? -0.972 0.242 -0.402 1.00 96.27 18 A 1 ATOM 135 C C . LEU A 1 18 ? -0.024 1.444 -0.465 1.00 96.73 18 A 1 ATOM 136 O O . LEU A 1 18 ? 0.508 1.746 -1.530 1.00 96.96 18 A 1 ATOM 137 C CB . LEU A 1 18 ? -2.443 0.684 -0.376 1.00 95.93 18 A 1 ATOM 138 C CG . LEU A 1 18 ? -2.865 1.517 -1.604 1.00 87.74 18 A 1 ATOM 139 C CD1 . LEU A 1 18 ? -2.780 0.709 -2.900 1.00 82.66 18 A 1 ATOM 140 C CD2 . LEU A 1 18 ? -4.308 1.992 -1.421 1.00 83.72 18 A 1 ATOM 141 N N . LEU A 1 19 ? 0.222 2.104 0.675 1.00 96.46 19 A 1 ATOM 142 C CA . LEU A 1 19 ? 1.165 3.219 0.759 1.00 96.05 19 A 1 ATOM 143 C C . LEU A 1 19 ? 2.592 2.778 0.416 1.00 96.34 19 A 1 ATOM 144 O O . LEU A 1 19 ? 3.257 3.443 -0.378 1.00 96.56 19 A 1 ATOM 145 C CB . LEU A 1 19 ? 1.079 3.834 2.163 1.00 95.95 19 A 1 ATOM 146 C CG . LEU A 1 19 ? 1.994 5.057 2.362 1.00 86.61 19 A 1 ATOM 147 C CD1 . LEU A 1 19 ? 1.591 6.224 1.460 1.00 80.90 19 A 1 ATOM 148 C CD2 . LEU A 1 19 ? 1.919 5.515 3.818 1.00 82.84 19 A 1 ATOM 149 N N . LEU A 1 20 ? 3.053 1.642 0.956 1.00 96.38 20 A 1 ATOM 150 C CA . LEU A 1 20 ? 4.360 1.067 0.611 1.00 95.67 20 A 1 ATOM 151 C C . LEU A 1 20 ? 4.467 0.749 -0.882 1.00 95.72 20 A 1 ATOM 152 O O . LEU A 1 20 ? 5.488 1.054 -1.498 1.00 95.53 20 A 1 ATOM 153 C CB . LEU A 1 20 ? 4.605 -0.207 1.444 1.00 95.35 20 A 1 ATOM 154 C CG . LEU A 1 20 ? 5.392 0.070 2.740 1.00 85.43 20 A 1 ATOM 155 C CD1 . LEU A 1 20 ? 4.617 -0.361 3.978 1.00 78.82 20 A 1 ATOM 156 C CD2 . LEU A 1 20 ? 6.719 -0.703 2.727 1.00 80.57 20 A 1 ATOM 157 N N . LEU A 1 21 ? 3.406 0.185 -1.472 1.00 95.46 21 A 1 ATOM 158 C CA . LEU A 1 21 ? 3.363 -0.092 -2.905 1.00 94.22 21 A 1 ATOM 159 C C . LEU A 1 21 ? 3.481 1.199 -3.725 1.00 94.11 21 A 1 ATOM 160 O O . LEU A 1 21 ? 4.280 1.252 -4.659 1.00 93.66 21 A 1 ATOM 161 C CB . LEU A 1 21 ? 2.070 -0.860 -3.226 1.00 94.10 21 A 1 ATOM 162 C CG . LEU A 1 21 ? 1.943 -1.270 -4.704 1.00 82.52 21 A 1 ATOM 163 C CD1 . LEU A 1 21 ? 3.001 -2.301 -5.102 1.00 74.87 21 A 1 ATOM 164 C CD2 . LEU A 1 21 ? 0.559 -1.880 -4.943 1.00 75.69 21 A 1 ATOM 165 N N . MET A 1 22 ? 2.750 2.253 -3.345 1.00 95.57 22 A 1 ATOM 166 C CA . MET A 1 22 ? 2.829 3.555 -4.016 1.00 94.92 22 A 1 ATOM 167 C C . MET A 1 22 ? 4.233 4.156 -3.924 1.00 94.62 22 A 1 ATOM 168 O O . MET A 1 22 ? 4.769 4.602 -4.938 1.00 93.92 22 A 1 ATOM 169 C CB . MET A 1 22 ? 1.789 4.522 -3.428 1.00 94.43 22 A 1 ATOM 170 C CG . MET A 1 22 ? 0.355 4.127 -3.821 1.00 89.75 22 A 1 ATOM 171 S SD . MET A 1 22 ? 0.001 4.272 -5.592 1.00 76.87 22 A 1 ATOM 172 C CE . MET A 1 22 ? -1.565 3.353 -5.677 1.00 64.49 22 A 1 ATOM 173 N N . ILE A 1 23 ? 4.866 4.110 -2.745 1.00 95.75 23 A 1 ATOM 174 C CA . ILE A 1 23 ? 6.244 4.585 -2.563 1.00 94.98 23 A 1 ATOM 175 C C . ILE A 1 23 ? 7.214 3.783 -3.438 1.00 94.51 23 A 1 ATOM 176 O O . ILE A 1 23 ? 8.089 4.370 -4.076 1.00 93.25 23 A 1 ATOM 177 C CB . ILE A 1 23 ? 6.642 4.533 -1.074 1.00 94.58 23 A 1 ATOM 178 C CG1 . ILE A 1 23 ? 5.817 5.557 -0.259 1.00 93.16 23 A 1 ATOM 179 C CG2 . ILE A 1 23 ? 8.148 4.811 -0.883 1.00 91.14 23 A 1 ATOM 180 C CD1 . ILE A 1 23 ? 5.881 5.337 1.253 1.00 86.12 23 A 1 ATOM 181 N N . SER A 1 24 ? 7.049 2.456 -3.515 1.00 95.38 24 A 1 ATOM 182 C CA . SER A 1 24 ? 7.897 1.600 -4.353 1.00 93.94 24 A 1 ATOM 183 C C . SER A 1 24 ? 7.747 1.918 -5.843 1.00 93.16 24 A 1 ATOM 184 O O . SER A 1 24 ? 8.747 2.013 -6.552 1.00 90.82 24 A 1 ATOM 185 C CB . SER A 1 24 ? 7.576 0.123 -4.115 1.00 92.87 24 A 1 ATOM 186 O OG . SER A 1 24 ? 7.805 -0.229 -2.764 1.00 80.17 24 A 1 ATOM 187 N N . VAL A 1 25 ? 6.512 2.126 -6.313 1.00 95.87 25 A 1 ATOM 188 C CA . VAL A 1 25 ? 6.240 2.491 -7.713 1.00 94.94 25 A 1 ATOM 189 C C . VAL A 1 25 ? 6.783 3.885 -8.032 1.00 94.62 25 A 1 ATOM 190 O O . VAL A 1 25 ? 7.455 4.052 -9.048 1.00 92.79 25 A 1 ATOM 191 C CB . VAL A 1 25 ? 4.735 2.388 -8.024 1.00 94.03 25 A 1 ATOM 192 C CG1 . VAL A 1 25 ? 4.388 2.920 -9.420 1.00 89.99 25 A 1 ATOM 193 C CG2 . VAL A 1 25 ? 4.272 0.926 -7.980 1.00 88.87 25 A 1 ATOM 194 N N . LEU A 1 26 ? 6.553 4.875 -7.155 1.00 95.85 26 A 1 ATOM 195 C CA . LEU A 1 26 ? 7.099 6.223 -7.326 1.00 94.90 26 A 1 ATOM 196 C C . LEU A 1 26 ? 8.629 6.217 -7.275 1.00 94.45 26 A 1 ATOM 197 O O . LEU A 1 26 ? 9.263 6.827 -8.127 1.00 92.82 26 A 1 ATOM 198 C CB . LEU A 1 26 ? 6.548 7.187 -6.262 1.00 94.00 26 A 1 ATOM 199 C CG . LEU A 1 26 ? 5.346 8.023 -6.737 1.00 88.04 26 A 1 ATOM 200 C CD1 . LEU A 1 26 ? 4.063 7.207 -6.841 1.00 79.16 26 A 1 ATOM 201 C CD2 . LEU A 1 26 ? 5.105 9.180 -5.761 1.00 79.32 26 A 1 ATOM 202 N N . GLY A 1 27 ? 9.218 5.512 -6.300 1.00 96.02 27 A 1 ATOM 203 C CA . GLY A 1 27 ? 10.669 5.404 -6.165 1.00 95.07 27 A 1 ATOM 204 C C . GLY A 1 27 ? 11.322 4.765 -7.390 1.00 94.74 27 A 1 ATOM 205 O O . GLY A 1 27 ? 12.313 5.285 -7.901 1.00 92.61 27 A 1 ATOM 206 N N . ASN A 1 28 ? 10.723 3.691 -7.916 1.00 95.79 28 A 1 ATOM 207 C CA . ASN A 1 28 ? 11.192 3.066 -9.148 1.00 94.83 28 A 1 ATOM 208 C C . ASN A 1 28 ? 11.006 3.987 -10.360 1.00 94.47 28 A 1 ATOM 209 O O . ASN A 1 28 ? 11.928 4.147 -11.152 1.00 91.94 28 A 1 ATOM 210 C CB . ASN A 1 28 ? 10.468 1.724 -9.325 1.00 93.02 28 A 1 ATOM 211 C CG . ASN A 1 28 ? 11.077 0.905 -10.445 1.00 86.01 28 A 1 ATOM 212 O OD1 . ASN A 1 28 ? 12.279 0.784 -10.579 1.00 75.60 28 A 1 ATOM 213 N ND2 . ASN A 1 28 ? 10.268 0.302 -11.281 1.00 76.01 28 A 1 ATOM 214 N N . GLY A 1 29 ? 9.844 4.647 -10.479 1.00 94.11 29 A 1 ATOM 215 C CA . GLY A 1 29 ? 9.573 5.583 -11.575 1.00 93.08 29 A 1 ATOM 216 C C . GLY A 1 29 ? 10.520 6.787 -11.587 1.00 93.04 29 A 1 ATOM 217 O O . GLY A 1 29 ? 11.041 7.147 -12.644 1.00 90.97 29 A 1 ATOM 218 N N . ILE A 1 30 ? 10.799 7.375 -10.413 1.00 92.66 30 A 1 ATOM 219 C CA . ILE A 1 30 ? 11.762 8.476 -10.274 1.00 90.80 30 A 1 ATOM 220 C C . ILE A 1 30 ? 13.181 7.985 -10.568 1.00 89.54 30 A 1 ATOM 221 O O . ILE A 1 30 ? 13.916 8.654 -11.290 1.00 86.94 30 A 1 ATOM 222 C CB . ILE A 1 30 ? 11.656 9.120 -8.876 1.00 90.21 30 A 1 ATOM 223 C CG1 . ILE A 1 30 ? 10.277 9.802 -8.699 1.00 84.80 30 A 1 ATOM 224 C CG2 . ILE A 1 30 ? 12.776 10.155 -8.650 1.00 80.94 30 A 1 ATOM 225 C CD1 . ILE A 1 30 ? 9.944 10.154 -7.246 1.00 73.16 30 A 1 ATOM 226 N N . GLY A 1 31 ? 13.555 6.801 -10.057 1.00 93.65 31 A 1 ATOM 227 C CA . GLY A 1 31 ? 14.862 6.202 -10.337 1.00 91.60 31 A 1 ATOM 228 C C . GLY A 1 31 ? 15.093 5.957 -11.832 1.00 91.60 31 A 1 ATOM 229 O O . GLY A 1 31 ? 16.171 6.259 -12.336 1.00 89.52 31 A 1 ATOM 230 N N . GLN A 1 32 ? 14.081 5.479 -12.546 1.00 91.59 32 A 1 ATOM 231 C CA . GLN A 1 32 ? 14.129 5.290 -14.002 1.00 89.68 32 A 1 ATOM 232 C C . GLN A 1 32 ? 14.148 6.614 -14.779 1.00 88.48 32 A 1 ATOM 233 O O . GLN A 1 32 ? 14.762 6.687 -15.835 1.00 84.75 32 A 1 ATOM 234 C CB . GLN A 1 32 ? 12.915 4.447 -14.442 1.00 88.76 32 A 1 ATOM 235 C CG . GLN A 1 32 ? 12.979 2.988 -13.959 1.00 82.37 32 A 1 ATOM 236 C CD . GLN A 1 32 ? 13.994 2.135 -14.711 1.00 76.24 32 A 1 ATOM 237 O OE1 . GLN A 1 32 ? 14.184 2.256 -15.903 1.00 69.95 32 A 1 ATOM 238 N NE2 . GLN A 1 32 ? 14.658 1.217 -14.051 1.00 67.62 32 A 1 ATOM 239 N N . ALA A 1 33 ? 13.502 7.669 -14.261 1.00 89.74 33 A 1 ATOM 240 C CA . ALA A 1 33 ? 13.487 8.986 -14.908 1.00 89.73 33 A 1 ATOM 241 C C . ALA A 1 33 ? 14.795 9.779 -14.710 1.00 89.57 33 A 1 ATOM 242 O O . ALA A 1 33 ? 15.046 10.723 -15.457 1.00 87.41 33 A 1 ATOM 243 C CB . ALA A 1 33 ? 12.276 9.767 -14.381 1.00 89.55 33 A 1 ATOM 244 N N . MET A 1 34 ? 15.584 9.426 -13.686 1.00 89.02 34 A 1 ATOM 245 C CA . MET A 1 34 ? 16.858 10.072 -13.348 1.00 87.95 34 A 1 ATOM 246 C C . MET A 1 34 ? 18.085 9.297 -13.858 1.00 86.93 34 A 1 ATOM 247 O O . MET A 1 34 ? 19.204 9.771 -13.670 1.00 83.94 34 A 1 ATOM 248 C CB . MET A 1 34 ? 16.927 10.276 -11.821 1.00 86.29 34 A 1 ATOM 249 C CG . MET A 1 34 ? 15.869 11.269 -11.306 1.00 80.05 34 A 1 ATOM 250 S SD . MET A 1 34 ? 16.252 13.006 -11.630 1.00 72.53 34 A 1 ATOM 251 C CE . MET A 1 34 ? 14.601 13.718 -11.425 1.00 62.09 34 A 1 ATOM 252 N N . ALA A 1 35 ? 17.882 8.124 -14.455 1.00 86.21 35 A 1 ATOM 253 C CA . ALA A 1 35 ? 18.940 7.274 -15.019 1.00 84.72 35 A 1 ATOM 254 C C . ALA A 1 35 ? 19.065 7.480 -16.535 1.00 78.84 35 A 1 ATOM 255 O O . ALA A 1 35 ? 20.213 7.457 -17.024 1.00 73.20 35 A 1 ATOM 256 C CB . ALA A 1 35 ? 18.632 5.817 -14.656 1.00 79.60 35 A 1 ATOM 257 O OXT . ALA A 1 35 ? 18.001 7.624 -17.193 1.00 68.53 35 A 1 #