# 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_svarog # _entry.id svarog # 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" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[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" "C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[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 GLU 2 1 n ALA 3 1 n ILE 4 1 n ILE 5 1 n LYS 6 1 n PHE 7 1 n ALA 8 1 n LEU 9 1 n LEU 10 1 n ILE 11 1 n ALA 12 1 n TRP 13 1 n VAL 14 1 n ALA 15 1 n GLY 16 1 n PHE 17 1 n VAL 18 1 n ILE 19 1 n ALA 20 1 n LYS 21 1 n GLY 22 1 n PHE 23 1 n TRP 24 1 n PRO 25 1 n THR 26 1 n LEU 27 1 n PHE 28 1 n CYS 29 1 n VAL 30 1 n ILE 31 1 n PRO 32 1 n PHE 33 1 n TRP 34 1 n SER 35 1 n PHE 36 1 n TYR 37 1 n LEU 38 1 n VAL 39 1 n VAL 40 1 n GLU 41 1 n LYS 42 1 n VAL 43 1 n MET 44 1 n THR 45 1 n VAL 46 1 n LEU 47 1 n GLY 48 1 n TRP 49 1 n LEU 50 # _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 (3.0.1 @ 2025-04-07 01:35:47)" _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 89.54 _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 87.77 1 1 A GLU 2 2 86.67 1 2 A ALA 3 2 95.12 1 3 A ILE 4 2 93.48 1 4 A ILE 5 2 93.60 1 5 A LYS 6 2 89.73 1 6 A PHE 7 2 90.35 1 7 A ALA 8 2 93.49 1 8 A LEU 9 2 91.10 1 9 A LEU 10 2 89.81 1 10 A ILE 11 2 93.10 1 11 A ALA 12 2 94.08 1 12 A TRP 13 2 89.52 1 13 A VAL 14 2 93.29 1 14 A ALA 15 2 93.98 1 15 A GLY 16 2 92.77 1 16 A PHE 17 2 89.57 1 17 A VAL 18 2 90.56 1 18 A ILE 19 2 90.10 1 19 A ALA 20 2 90.45 1 20 A LYS 21 2 79.47 1 21 A GLY 22 2 89.55 1 22 A PHE 23 2 86.65 1 23 A TRP 24 2 86.53 1 24 A PRO 25 2 91.22 1 25 A THR 26 2 91.28 1 26 A LEU 27 2 90.60 1 27 A PHE 28 2 89.31 1 28 A CYS 29 2 92.28 1 29 A VAL 30 2 92.57 1 30 A ILE 31 2 91.92 1 31 A PRO 32 2 92.33 1 32 A PHE 33 2 83.65 1 33 A TRP 34 2 86.31 1 34 A SER 35 2 90.77 1 35 A PHE 36 2 87.88 1 36 A TYR 37 2 88.64 1 37 A LEU 38 2 89.38 1 38 A VAL 39 2 91.26 1 39 A VAL 40 2 92.47 1 40 A GLU 41 2 87.52 1 41 A LYS 42 2 87.42 1 42 A VAL 43 2 92.07 1 43 A MET 44 2 88.97 1 44 A THR 45 2 91.06 1 45 A VAL 46 2 92.00 1 46 A LEU 47 2 91.32 1 47 A GLY 48 2 94.18 1 48 A TRP 49 2 85.59 1 49 A LEU 50 2 84.05 1 50 # _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 GLU . 2 A 2 A 3 1 n ALA . 3 A 3 A 4 1 n ILE . 4 A 4 A 5 1 n ILE . 5 A 5 A 6 1 n LYS . 6 A 6 A 7 1 n PHE . 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 ILE . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n TRP . 13 A 13 A 14 1 n VAL . 14 A 14 A 15 1 n ALA . 15 A 15 A 16 1 n GLY . 16 A 16 A 17 1 n PHE . 17 A 17 A 18 1 n VAL . 18 A 18 A 19 1 n ILE . 19 A 19 A 20 1 n ALA . 20 A 20 A 21 1 n LYS . 21 A 21 A 22 1 n GLY . 22 A 22 A 23 1 n PHE . 23 A 23 A 24 1 n TRP . 24 A 24 A 25 1 n PRO . 25 A 25 A 26 1 n THR . 26 A 26 A 27 1 n LEU . 27 A 27 A 28 1 n PHE . 28 A 28 A 29 1 n CYS . 29 A 29 A 30 1 n VAL . 30 A 30 A 31 1 n ILE . 31 A 31 A 32 1 n PRO . 32 A 32 A 33 1 n PHE . 33 A 33 A 34 1 n TRP . 34 A 34 A 35 1 n SER . 35 A 35 A 36 1 n PHE . 36 A 36 A 37 1 n TYR . 37 A 37 A 38 1 n LEU . 38 A 38 A 39 1 n VAL . 39 A 39 A 40 1 n VAL . 40 A 40 A 41 1 n GLU . 41 A 41 A 42 1 n LYS . 42 A 42 A 43 1 n VAL . 43 A 43 A 44 1 n MET . 44 A 44 A 45 1 n THR . 45 A 45 A 46 1 n VAL . 46 A 46 A 47 1 n LEU . 47 A 47 A 48 1 n GLY . 48 A 48 A 49 1 n TRP . 49 A 49 A 50 1 n LEU . 50 A 50 # _software.classification other _software.date ? _software.description "Structure prediction" _software.name AlphaFold _software.pdbx_ordinal 1 _software.type package _software.version "AlphaFold-beta-20231127 (fa08f1a239cfd4fd49a5c37bef32bd41139da97e359ba389d3209450484ef018)" # _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 ? 0.149 -21.756 6.064 1.00 94.22 1 A 1 ATOM 2 C CA . MET A 1 1 ? -0.532 -20.479 6.383 1.00 95.57 1 A 1 ATOM 3 C C . MET A 1 1 ? 0.434 -19.304 6.421 1.00 96.26 1 A 1 ATOM 4 O O . MET A 1 1 ? 0.155 -18.302 5.791 1.00 95.67 1 A 1 ATOM 5 C CB . MET A 1 1 ? -1.382 -20.579 7.660 1.00 91.18 1 A 1 ATOM 6 C CG . MET A 1 1 ? -2.586 -21.493 7.412 1.00 84.25 1 A 1 ATOM 7 S SD . MET A 1 1 ? -3.842 -21.473 8.710 1.00 76.78 1 A 1 ATOM 8 C CE . MET A 1 1 ? -2.999 -22.362 10.047 1.00 68.25 1 A 1 ATOM 9 N N . GLU A 1 2 ? 1.615 -19.456 7.049 1.00 94.21 2 A 1 ATOM 10 C CA . GLU A 1 2 ? 2.611 -18.370 7.109 1.00 94.05 2 A 1 ATOM 11 C C . GLU A 1 2 ? 3.056 -17.832 5.742 1.00 94.70 2 A 1 ATOM 12 O O . GLU A 1 2 ? 3.205 -16.622 5.572 1.00 94.23 2 A 1 ATOM 13 C CB . GLU A 1 2 ? 3.875 -18.850 7.817 1.00 92.99 2 A 1 ATOM 14 C CG . GLU A 1 2 ? 3.663 -19.180 9.296 1.00 85.13 2 A 1 ATOM 15 C CD . GLU A 1 2 ? 5.004 -19.425 10.005 1.00 79.08 2 A 1 ATOM 16 O OE1 . GLU A 1 2 ? 4.940 -19.814 11.185 1.00 72.25 2 A 1 ATOM 17 O OE2 . GLU A 1 2 ? 6.062 -19.201 9.361 1.00 73.43 2 A 1 ATOM 18 N N . ALA A 1 3 ? 3.256 -18.711 4.751 1.00 95.04 3 A 1 ATOM 19 C CA . ALA A 1 3 ? 3.671 -18.295 3.410 1.00 95.39 3 A 1 ATOM 20 C C . ALA A 1 3 ? 2.629 -17.384 2.727 1.00 95.73 3 A 1 ATOM 21 O O . ALA A 1 3 ? 2.999 -16.410 2.080 1.00 94.70 3 A 1 ATOM 22 C CB . ALA A 1 3 ? 3.950 -19.554 2.573 1.00 94.72 3 A 1 ATOM 23 N N . ILE A 1 4 ? 1.341 -17.662 2.928 1.00 96.20 4 A 1 ATOM 24 C CA . ILE A 1 4 ? 0.242 -16.860 2.366 1.00 95.82 4 A 1 ATOM 25 C C . ILE A 1 4 ? 0.214 -15.474 3.017 1.00 95.59 4 A 1 ATOM 26 O O . ILE A 1 4 ? 0.091 -14.468 2.325 1.00 95.37 4 A 1 ATOM 27 C CB . ILE A 1 4 ? -1.108 -17.596 2.531 1.00 95.88 4 A 1 ATOM 28 C CG1 . ILE A 1 4 ? -1.078 -18.965 1.803 1.00 93.14 4 A 1 ATOM 29 C CG2 . ILE A 1 4 ? -2.264 -16.729 1.993 1.00 90.61 4 A 1 ATOM 30 C CD1 . ILE A 1 4 ? -2.304 -19.846 2.078 1.00 85.27 4 A 1 ATOM 31 N N . ILE A 1 5 ? 0.392 -15.408 4.346 1.00 96.13 5 A 1 ATOM 32 C CA . ILE A 1 5 ? 0.438 -14.142 5.092 1.00 95.19 5 A 1 ATOM 33 C C . ILE A 1 5 ? 1.637 -13.305 4.640 1.00 94.77 5 A 1 ATOM 34 O O . ILE A 1 5 ? 1.477 -12.129 4.316 1.00 94.82 5 A 1 ATOM 35 C CB . ILE A 1 5 ? 0.462 -14.410 6.614 1.00 95.20 5 A 1 ATOM 36 C CG1 . ILE A 1 5 ? -0.833 -15.132 7.057 1.00 93.08 5 A 1 ATOM 37 C CG2 . ILE A 1 5 ? 0.637 -13.092 7.394 1.00 91.92 5 A 1 ATOM 38 C CD1 . ILE A 1 5 ? -0.793 -15.660 8.495 1.00 87.70 5 A 1 ATOM 39 N N . LYS A 1 6 ? 2.827 -13.920 4.549 1.00 94.21 6 A 1 ATOM 40 C CA . LYS A 1 6 ? 4.041 -13.240 4.063 1.00 92.48 6 A 1 ATOM 41 C C . LYS A 1 6 ? 3.861 -12.714 2.640 1.00 93.22 6 A 1 ATOM 42 O O . LYS A 1 6 ? 4.243 -11.582 2.355 1.00 94.50 6 A 1 ATOM 43 C CB . LYS A 1 6 ? 5.250 -14.193 4.149 1.00 93.65 6 A 1 ATOM 44 C CG . LYS A 1 6 ? 5.696 -14.436 5.604 1.00 91.58 6 A 1 ATOM 45 C CD . LYS A 1 6 ? 6.777 -15.529 5.708 1.00 88.23 6 A 1 ATOM 46 C CE . LYS A 1 6 ? 7.095 -15.787 7.188 1.00 85.16 6 A 1 ATOM 47 N NZ . LYS A 1 6 ? 7.948 -16.984 7.417 1.00 74.57 6 A 1 ATOM 48 N N . PHE A 1 7 ? 3.236 -13.499 1.778 1.00 94.33 7 A 1 ATOM 49 C CA . PHE A 1 7 ? 2.949 -13.090 0.404 1.00 93.43 7 A 1 ATOM 50 C C . PHE A 1 7 ? 1.936 -11.937 0.342 1.00 93.63 7 A 1 ATOM 51 O O . PHE A 1 7 ? 2.160 -10.962 -0.372 1.00 93.98 7 A 1 ATOM 52 C CB . PHE A 1 7 ? 2.472 -14.313 -0.381 1.00 93.93 7 A 1 ATOM 53 C CG . PHE A 1 7 ? 2.319 -14.050 -1.862 1.00 91.89 7 A 1 ATOM 54 C CD1 . PHE A 1 7 ? 1.044 -14.037 -2.456 1.00 87.08 7 A 1 ATOM 55 C CD2 . PHE A 1 7 ? 3.462 -13.831 -2.651 1.00 88.22 7 A 1 ATOM 56 C CE1 . PHE A 1 7 ? 0.913 -13.818 -3.835 1.00 84.92 7 A 1 ATOM 57 C CE2 . PHE A 1 7 ? 3.331 -13.602 -4.031 1.00 86.90 7 A 1 ATOM 58 C CZ . PHE A 1 7 ? 2.057 -13.599 -4.624 1.00 85.55 7 A 1 ATOM 59 N N . ALA A 1 8 ? 0.866 -11.991 1.136 1.00 94.90 8 A 1 ATOM 60 C CA . ALA A 1 8 ? -0.118 -10.910 1.225 1.00 93.07 8 A 1 ATOM 61 C C . ALA A 1 8 ? 0.504 -9.598 1.738 1.00 93.41 8 A 1 ATOM 62 O O . ALA A 1 8 ? 0.249 -8.535 1.172 1.00 92.61 8 A 1 ATOM 63 C CB . ALA A 1 8 ? -1.271 -11.375 2.123 1.00 93.44 8 A 1 ATOM 64 N N . LEU A 1 9 ? 1.369 -9.671 2.757 1.00 94.10 9 A 1 ATOM 65 C CA . LEU A 1 9 ? 2.104 -8.508 3.266 1.00 93.61 9 A 1 ATOM 66 C C . LEU A 1 9 ? 3.055 -7.927 2.216 1.00 94.41 9 A 1 ATOM 67 O O . LEU A 1 9 ? 3.146 -6.709 2.086 1.00 94.27 9 A 1 ATOM 68 C CB . LEU A 1 9 ? 2.887 -8.905 4.528 1.00 93.57 9 A 1 ATOM 69 C CG . LEU A 1 9 ? 2.014 -9.165 5.772 1.00 89.79 9 A 1 ATOM 70 C CD1 . LEU A 1 9 ? 2.892 -9.724 6.895 1.00 84.32 9 A 1 ATOM 71 C CD2 . LEU A 1 9 ? 1.336 -7.894 6.284 1.00 84.75 9 A 1 ATOM 72 N N . LEU A 1 10 ? 3.723 -8.790 1.437 1.00 93.76 10 A 1 ATOM 73 C CA . LEU A 1 10 ? 4.596 -8.351 0.348 1.00 93.71 10 A 1 ATOM 74 C C . LEU A 1 10 ? 3.797 -7.631 -0.747 1.00 94.59 10 A 1 ATOM 75 O O . LEU A 1 10 ? 4.200 -6.556 -1.186 1.00 95.06 10 A 1 ATOM 76 C CB . LEU A 1 10 ? 5.388 -9.566 -0.164 1.00 94.32 10 A 1 ATOM 77 C CG . LEU A 1 10 ? 6.515 -9.215 -1.156 1.00 85.09 10 A 1 ATOM 78 C CD1 . LEU A 1 10 ? 7.607 -10.287 -1.082 1.00 80.59 10 A 1 ATOM 79 C CD2 . LEU A 1 10 ? 6.040 -9.151 -2.611 1.00 81.33 10 A 1 ATOM 80 N N . ILE A 1 11 ? 2.647 -8.171 -1.139 1.00 95.47 11 A 1 ATOM 81 C CA . ILE A 1 11 ? 1.758 -7.510 -2.106 1.00 95.12 11 A 1 ATOM 82 C C . ILE A 1 11 ? 1.284 -6.158 -1.567 1.00 95.06 11 A 1 ATOM 83 O O . ILE A 1 11 ? 1.348 -5.167 -2.290 1.00 95.07 11 A 1 ATOM 84 C CB . ILE A 1 11 ? 0.561 -8.416 -2.474 1.00 95.54 11 A 1 ATOM 85 C CG1 . ILE A 1 11 ? 1.051 -9.618 -3.310 1.00 93.21 11 A 1 ATOM 86 C CG2 . ILE A 1 11 ? -0.510 -7.632 -3.263 1.00 91.53 11 A 1 ATOM 87 C CD1 . ILE A 1 11 ? -0.027 -10.674 -3.544 1.00 83.79 11 A 1 ATOM 88 N N . ALA A 1 12 ? 0.841 -6.093 -0.309 1.00 94.84 12 A 1 ATOM 89 C CA . ALA A 1 12 ? 0.402 -4.845 0.315 1.00 94.10 12 A 1 ATOM 90 C C . ALA A 1 12 ? 1.536 -3.810 0.366 1.00 94.73 12 A 1 ATOM 91 O O . ALA A 1 12 ? 1.317 -2.633 0.079 1.00 93.21 12 A 1 ATOM 92 C CB . ALA A 1 12 ? -0.138 -5.160 1.716 1.00 93.50 12 A 1 ATOM 93 N N . TRP A 1 13 ? 2.761 -4.254 0.660 1.00 93.93 13 A 1 ATOM 94 C CA . TRP A 1 13 ? 3.926 -3.374 0.649 1.00 94.58 13 A 1 ATOM 95 C C . TRP A 1 13 ? 4.195 -2.801 -0.744 1.00 95.03 13 A 1 ATOM 96 O O . TRP A 1 13 ? 4.294 -1.584 -0.896 1.00 93.85 13 A 1 ATOM 97 C CB . TRP A 1 13 ? 5.137 -4.124 1.206 1.00 93.56 13 A 1 ATOM 98 C CG . TRP A 1 13 ? 6.365 -3.287 1.373 1.00 92.23 13 A 1 ATOM 99 C CD1 . TRP A 1 13 ? 6.410 -2.022 1.844 1.00 87.88 13 A 1 ATOM 100 C CD2 . TRP A 1 13 ? 7.749 -3.651 1.078 1.00 90.56 13 A 1 ATOM 101 N NE1 . TRP A 1 13 ? 7.711 -1.570 1.855 1.00 85.36 13 A 1 ATOM 102 C CE2 . TRP A 1 13 ? 8.582 -2.536 1.395 1.00 88.47 13 A 1 ATOM 103 C CE3 . TRP A 1 13 ? 8.382 -4.810 0.578 1.00 85.48 13 A 1 ATOM 104 C CZ2 . TRP A 1 13 ? 9.973 -2.568 1.223 1.00 85.70 13 A 1 ATOM 105 C CZ3 . TRP A 1 13 ? 9.775 -4.851 0.407 1.00 83.86 13 A 1 ATOM 106 C CH2 . TRP A 1 13 ? 10.572 -3.734 0.725 1.00 82.76 13 A 1 ATOM 107 N N . VAL A 1 14 ? 4.220 -3.646 -1.779 1.00 94.67 14 A 1 ATOM 108 C CA . VAL A 1 14 ? 4.398 -3.202 -3.176 1.00 94.05 14 A 1 ATOM 109 C C . VAL A 1 14 ? 3.244 -2.295 -3.622 1.00 94.25 14 A 1 ATOM 110 O O . VAL A 1 14 ? 3.478 -1.279 -4.275 1.00 94.36 14 A 1 ATOM 111 C CB . VAL A 1 14 ? 4.554 -4.418 -4.114 1.00 94.01 14 A 1 ATOM 112 C CG1 . VAL A 1 14 ? 4.621 -4.014 -5.593 1.00 91.35 14 A 1 ATOM 113 C CG2 . VAL A 1 14 ? 5.847 -5.185 -3.802 1.00 90.34 14 A 1 ATOM 114 N N . ALA A 1 15 ? 2.008 -2.608 -3.228 1.00 94.90 15 A 1 ATOM 115 C CA . ALA A 1 15 ? 0.841 -1.784 -3.540 1.00 94.12 15 A 1 ATOM 116 C C . ALA A 1 15 ? 0.972 -0.357 -2.985 1.00 94.24 15 A 1 ATOM 117 O O . ALA A 1 15 ? 0.588 0.595 -3.663 1.00 92.94 15 A 1 ATOM 118 C CB . ALA A 1 15 ? -0.418 -2.478 -3.003 1.00 93.70 15 A 1 ATOM 119 N N . GLY A 1 16 ? 1.577 -0.185 -1.810 1.00 93.59 16 A 1 ATOM 120 C CA . GLY A 1 16 ? 1.861 1.138 -1.253 1.00 92.34 16 A 1 ATOM 121 C C . GLY A 1 16 ? 2.766 1.984 -2.146 1.00 93.07 16 A 1 ATOM 122 O O . GLY A 1 16 ? 2.479 3.164 -2.347 1.00 92.08 16 A 1 ATOM 123 N N . PHE A 1 17 ? 3.795 1.381 -2.765 1.00 94.03 17 A 1 ATOM 124 C CA . PHE A 1 17 ? 4.633 2.086 -3.749 1.00 93.60 17 A 1 ATOM 125 C C . PHE A 1 17 ? 3.837 2.524 -4.984 1.00 94.02 17 A 1 ATOM 126 O O . PHE A 1 17 ? 4.075 3.607 -5.515 1.00 91.61 17 A 1 ATOM 127 C CB . PHE A 1 17 ? 5.804 1.203 -4.201 1.00 92.75 17 A 1 ATOM 128 C CG . PHE A 1 17 ? 6.946 1.110 -3.216 1.00 92.35 17 A 1 ATOM 129 C CD1 . PHE A 1 17 ? 8.023 2.016 -3.307 1.00 86.20 17 A 1 ATOM 130 C CD2 . PHE A 1 17 ? 6.954 0.114 -2.228 1.00 86.45 17 A 1 ATOM 131 C CE1 . PHE A 1 17 ? 9.105 1.913 -2.419 1.00 82.73 17 A 1 ATOM 132 C CE2 . PHE A 1 17 ? 8.037 0.015 -1.337 1.00 84.36 17 A 1 ATOM 133 C CZ . PHE A 1 17 ? 9.115 0.909 -1.438 1.00 87.19 17 A 1 ATOM 134 N N . VAL A 1 18 ? 2.886 1.713 -5.441 1.00 93.25 18 A 1 ATOM 135 C CA . VAL A 1 18 ? 2.039 2.029 -6.604 1.00 92.14 18 A 1 ATOM 136 C C . VAL A 1 18 ? 1.047 3.152 -6.281 1.00 91.57 18 A 1 ATOM 137 O O . VAL A 1 18 ? 0.753 3.988 -7.132 1.00 90.65 18 A 1 ATOM 138 C CB . VAL A 1 18 ? 1.307 0.763 -7.090 1.00 91.61 18 A 1 ATOM 139 C CG1 . VAL A 1 18 ? 0.367 1.049 -8.272 1.00 87.53 18 A 1 ATOM 140 C CG2 . VAL A 1 18 ? 2.306 -0.309 -7.553 1.00 87.20 18 A 1 ATOM 141 N N . ILE A 1 19 ? 0.523 3.175 -5.049 1.00 94.08 19 A 1 ATOM 142 C CA . ILE A 1 19 ? -0.424 4.195 -4.581 1.00 93.05 19 A 1 ATOM 143 C C . ILE A 1 19 ? 0.288 5.527 -4.293 1.00 92.40 19 A 1 ATOM 144 O O . ILE A 1 19 ? -0.310 6.592 -4.473 1.00 90.32 19 A 1 ATOM 145 C CB . ILE A 1 19 ? -1.184 3.662 -3.346 1.00 92.30 19 A 1 ATOM 146 C CG1 . ILE A 1 19 ? -2.090 2.470 -3.739 1.00 88.53 19 A 1 ATOM 147 C CG2 . ILE A 1 19 ? -2.048 4.757 -2.687 1.00 86.54 19 A 1 ATOM 148 C CD1 . ILE A 1 19 ? -2.570 1.641 -2.542 1.00 83.56 19 A 1 ATOM 149 N N . ALA A 1 20 ? 1.555 5.474 -3.860 1.00 94.04 20 A 1 ATOM 150 C CA . ALA A 1 20 ? 2.342 6.648 -3.520 1.00 91.55 20 A 1 ATOM 151 C C . ALA A 1 20 ? 2.473 7.599 -4.721 1.00 89.40 20 A 1 ATOM 152 O O . ALA A 1 20 ? 3.090 7.284 -5.736 1.00 86.25 20 A 1 ATOM 153 C CB . ALA A 1 20 ? 3.711 6.197 -2.996 1.00 91.02 20 A 1 ATOM 154 N N . LYS A 1 21 ? 1.898 8.797 -4.589 1.00 91.39 21 A 1 ATOM 155 C CA . LYS A 1 21 ? 1.986 9.841 -5.617 1.00 88.07 21 A 1 ATOM 156 C C . LYS A 1 21 ? 3.074 10.844 -5.248 1.00 87.59 21 A 1 ATOM 157 O O . LYS A 1 21 ? 2.904 11.640 -4.326 1.00 81.41 21 A 1 ATOM 158 C CB . LYS A 1 21 ? 0.627 10.522 -5.813 1.00 85.69 21 A 1 ATOM 159 C CG . LYS A 1 21 ? -0.413 9.561 -6.415 1.00 79.30 21 A 1 ATOM 160 C CD . LYS A 1 21 ? -1.712 10.312 -6.708 1.00 73.65 21 A 1 ATOM 161 C CE . LYS A 1 21 ? -2.754 9.355 -7.294 1.00 68.32 21 A 1 ATOM 162 N NZ . LYS A 1 21 ? -4.019 10.065 -7.608 1.00 59.85 21 A 1 ATOM 163 N N . GLY A 1 22 ? 4.166 10.825 -6.011 1.00 89.60 22 A 1 ATOM 164 C CA . GLY A 1 22 ? 5.278 11.758 -5.852 1.00 89.05 22 A 1 ATOM 165 C C . GLY A 1 22 ? 6.515 11.139 -5.203 1.00 91.04 22 A 1 ATOM 166 O O . GLY A 1 22 ? 6.480 10.049 -4.641 1.00 88.49 22 A 1 ATOM 167 N N . PHE A 1 23 ? 7.630 11.855 -5.295 1.00 89.84 23 A 1 ATOM 168 C CA . PHE A 1 23 ? 8.944 11.359 -4.889 1.00 89.71 23 A 1 ATOM 169 C C . PHE A 1 23 ? 9.031 11.072 -3.384 1.00 90.71 23 A 1 ATOM 170 O O . PHE A 1 23 ? 9.476 9.997 -2.990 1.00 89.15 23 A 1 ATOM 171 C CB . PHE A 1 23 ? 10.002 12.386 -5.315 1.00 89.42 23 A 1 ATOM 172 C CG . PHE A 1 23 ? 11.414 11.997 -4.924 1.00 88.33 23 A 1 ATOM 173 C CD1 . PHE A 1 23 ? 12.018 12.571 -3.790 1.00 84.36 23 A 1 ATOM 174 C CD2 . PHE A 1 23 ? 12.113 11.042 -5.681 1.00 84.88 23 A 1 ATOM 175 C CE1 . PHE A 1 23 ? 13.318 12.197 -3.420 1.00 81.84 23 A 1 ATOM 176 C CE2 . PHE A 1 23 ? 13.414 10.665 -5.309 1.00 82.62 23 A 1 ATOM 177 C CZ . PHE A 1 23 ? 14.016 11.243 -4.179 1.00 82.24 23 A 1 ATOM 178 N N . TRP A 1 24 ? 8.563 11.998 -2.545 1.00 92.66 24 A 1 ATOM 179 C CA . TRP A 1 24 ? 8.665 11.876 -1.085 1.00 92.60 24 A 1 ATOM 180 C C . TRP A 1 24 ? 7.859 10.700 -0.512 1.00 92.69 24 A 1 ATOM 181 O O . TRP A 1 24 ? 8.460 9.870 0.168 1.00 90.87 24 A 1 ATOM 182 C CB . TRP A 1 24 ? 8.310 13.206 -0.414 1.00 92.04 24 A 1 ATOM 183 C CG . TRP A 1 24 ? 9.306 14.294 -0.646 1.00 90.51 24 A 1 ATOM 184 C CD1 . TRP A 1 24 ? 9.155 15.367 -1.458 1.00 85.78 24 A 1 ATOM 185 C CD2 . TRP A 1 24 ? 10.630 14.426 -0.055 1.00 86.49 24 A 1 ATOM 186 N NE1 . TRP A 1 24 ? 10.287 16.155 -1.414 1.00 82.32 24 A 1 ATOM 187 C CE2 . TRP A 1 24 ? 11.229 15.621 -0.556 1.00 84.16 24 A 1 ATOM 188 C CE3 . TRP A 1 24 ? 11.377 13.658 0.862 1.00 81.31 24 A 1 ATOM 189 C CZ2 . TRP A 1 24 ? 12.511 16.037 -0.166 1.00 82.18 24 A 1 ATOM 190 C CZ3 . TRP A 1 24 ? 12.665 14.069 1.256 1.00 79.41 24 A 1 ATOM 191 C CH2 . TRP A 1 24 ? 13.231 15.255 0.749 1.00 78.38 24 A 1 ATOM 192 N N . PRO A 1 25 ? 6.557 10.534 -0.827 1.00 92.74 25 A 1 ATOM 193 C CA . PRO A 1 25 ? 5.804 9.368 -0.374 1.00 91.89 25 A 1 ATOM 194 C C . PRO A 1 25 ? 6.427 8.048 -0.840 1.00 93.06 25 A 1 ATOM 195 O O . PRO A 1 25 ? 6.514 7.106 -0.058 1.00 91.55 25 A 1 ATOM 196 C CB . PRO A 1 25 ? 4.393 9.543 -0.937 1.00 90.77 25 A 1 ATOM 197 C CG . PRO A 1 25 ? 4.262 11.046 -1.116 1.00 88.01 25 A 1 ATOM 198 C CD . PRO A 1 25 ? 5.671 11.452 -1.526 1.00 90.49 25 A 1 ATOM 199 N N . THR A 1 26 ? 6.914 7.997 -2.088 1.00 92.39 26 A 1 ATOM 200 C CA . THR A 1 26 ? 7.562 6.796 -2.637 1.00 92.81 26 A 1 ATOM 201 C C . THR A 1 26 ? 8.850 6.457 -1.887 1.00 93.64 26 A 1 ATOM 202 O O . THR A 1 26 ? 9.092 5.292 -1.578 1.00 92.93 26 A 1 ATOM 203 C CB . THR A 1 26 ? 7.855 6.963 -4.133 1.00 92.50 26 A 1 ATOM 204 O OG1 . THR A 1 26 ? 6.685 7.319 -4.828 1.00 88.11 26 A 1 ATOM 205 C CG2 . THR A 1 26 ? 8.369 5.677 -4.774 1.00 86.60 26 A 1 ATOM 206 N N . LEU A 1 27 ? 9.652 7.463 -1.534 1.00 94.42 27 A 1 ATOM 207 C CA . LEU A 1 27 ? 10.872 7.266 -0.745 1.00 94.10 27 A 1 ATOM 208 C C . LEU A 1 27 ? 10.551 6.737 0.662 1.00 94.23 27 A 1 ATOM 209 O O . LEU A 1 27 ? 11.210 5.814 1.136 1.00 94.35 27 A 1 ATOM 210 C CB . LEU A 1 27 ? 11.663 8.584 -0.739 1.00 94.03 27 A 1 ATOM 211 C CG . LEU A 1 27 ? 13.043 8.474 -0.060 1.00 88.94 27 A 1 ATOM 212 C CD1 . LEU A 1 27 ? 14.043 9.382 -0.776 1.00 82.02 27 A 1 ATOM 213 C CD2 . LEU A 1 27 ? 13.003 8.901 1.406 1.00 82.73 27 A 1 ATOM 214 N N . PHE A 1 28 ? 9.502 7.258 1.314 1.00 94.80 28 A 1 ATOM 215 C CA . PHE A 1 28 ? 9.086 6.778 2.633 1.00 94.50 28 A 1 ATOM 216 C C . PHE A 1 28 ? 8.464 5.376 2.602 1.00 94.80 28 A 1 ATOM 217 O O . PHE A 1 28 ? 8.525 4.676 3.613 1.00 93.75 28 A 1 ATOM 218 C CB . PHE A 1 28 ? 8.154 7.798 3.286 1.00 93.73 28 A 1 ATOM 219 C CG . PHE A 1 28 ? 8.859 9.044 3.783 1.00 92.01 28 A 1 ATOM 220 C CD1 . PHE A 1 28 ? 9.828 8.945 4.798 1.00 84.94 28 A 1 ATOM 221 C CD2 . PHE A 1 28 ? 8.548 10.306 3.242 1.00 84.90 28 A 1 ATOM 222 C CE1 . PHE A 1 28 ? 10.493 10.094 5.255 1.00 81.82 28 A 1 ATOM 223 C CE2 . PHE A 1 28 ? 9.212 11.455 3.698 1.00 83.35 28 A 1 ATOM 224 C CZ . PHE A 1 28 ? 10.188 11.350 4.703 1.00 83.76 28 A 1 ATOM 225 N N . CYS A 1 29 ? 7.953 4.906 1.442 1.00 93.20 29 A 1 ATOM 226 C CA . CYS A 1 29 ? 7.472 3.525 1.291 1.00 93.16 29 A 1 ATOM 227 C C . CYS A 1 29 ? 8.560 2.459 1.490 1.00 93.22 29 A 1 ATOM 228 O O . CYS A 1 29 ? 8.218 1.295 1.702 1.00 92.43 29 A 1 ATOM 229 C CB . CYS A 1 29 ? 6.799 3.340 -0.072 1.00 92.78 29 A 1 ATOM 230 S SG . CYS A 1 29 ? 5.168 4.122 -0.070 1.00 88.89 29 A 1 ATOM 231 N N . VAL A 1 30 ? 9.849 2.826 1.495 1.00 95.00 30 A 1 ATOM 232 C CA . VAL A 1 30 ? 10.930 1.916 1.926 1.00 94.27 30 A 1 ATOM 233 C C . VAL A 1 30 ? 10.667 1.404 3.349 1.00 94.56 30 A 1 ATOM 234 O O . VAL A 1 30 ? 10.954 0.248 3.659 1.00 93.72 30 A 1 ATOM 235 C CB . VAL A 1 30 ? 12.300 2.620 1.844 1.00 93.55 30 A 1 ATOM 236 C CG1 . VAL A 1 30 ? 13.446 1.725 2.335 1.00 88.67 30 A 1 ATOM 237 C CG2 . VAL A 1 30 ? 12.620 3.010 0.394 1.00 88.21 30 A 1 ATOM 238 N N . ILE A 1 31 ? 10.044 2.231 4.193 1.00 94.98 31 A 1 ATOM 239 C CA . ILE A 1 31 ? 9.572 1.837 5.520 1.00 94.27 31 A 1 ATOM 240 C C . ILE A 1 31 ? 8.211 1.139 5.348 1.00 94.13 31 A 1 ATOM 241 O O . ILE A 1 31 ? 7.239 1.786 4.946 1.00 93.73 31 A 1 ATOM 242 C CB . ILE A 1 31 ? 9.489 3.059 6.460 1.00 93.83 31 A 1 ATOM 243 C CG1 . ILE A 1 31 ? 10.858 3.780 6.553 1.00 91.35 31 A 1 ATOM 244 C CG2 . ILE A 1 31 ? 9.015 2.602 7.850 1.00 89.60 31 A 1 ATOM 245 C CD1 . ILE A 1 31 ? 10.816 5.097 7.330 1.00 83.47 31 A 1 ATOM 246 N N . PRO A 1 32 ? 8.093 -0.161 5.669 1.00 94.23 32 A 1 ATOM 247 C CA . PRO A 1 32 ? 6.880 -0.934 5.382 1.00 93.47 32 A 1 ATOM 248 C C . PRO A 1 32 ? 5.633 -0.379 6.085 1.00 94.17 32 A 1 ATOM 249 O O . PRO A 1 32 ? 4.548 -0.415 5.513 1.00 92.78 32 A 1 ATOM 250 C CB . PRO A 1 32 ? 7.202 -2.370 5.817 1.00 91.59 32 A 1 ATOM 251 C CG . PRO A 1 32 ? 8.339 -2.214 6.821 1.00 88.60 32 A 1 ATOM 252 C CD . PRO A 1 32 ? 9.098 -1.006 6.289 1.00 91.47 32 A 1 ATOM 253 N N . PHE A 1 33 ? 5.785 0.200 7.284 1.00 93.50 33 A 1 ATOM 254 C CA . PHE A 1 33 ? 4.673 0.825 8.012 1.00 93.31 33 A 1 ATOM 255 C C . PHE A 1 33 ? 4.018 1.972 7.235 1.00 94.07 33 A 1 ATOM 256 O O . PHE A 1 33 ? 2.791 2.073 7.216 1.00 93.01 33 A 1 ATOM 257 C CB . PHE A 1 33 ? 5.170 1.337 9.368 1.00 91.50 33 A 1 ATOM 258 C CG . PHE A 1 33 ? 5.621 0.232 10.299 1.00 84.67 33 A 1 ATOM 259 C CD1 . PHE A 1 33 ? 4.668 -0.639 10.863 1.00 78.36 33 A 1 ATOM 260 C CD2 . PHE A 1 33 ? 6.983 0.063 10.604 1.00 77.18 33 A 1 ATOM 261 C CE1 . PHE A 1 33 ? 5.072 -1.671 11.723 1.00 71.23 33 A 1 ATOM 262 C CE2 . PHE A 1 33 ? 7.390 -0.971 11.464 1.00 72.43 33 A 1 ATOM 263 C CZ . PHE A 1 33 ? 6.434 -1.838 12.023 1.00 70.89 33 A 1 ATOM 264 N N . TRP A 1 34 ? 4.804 2.803 6.562 1.00 93.13 34 A 1 ATOM 265 C CA . TRP A 1 34 ? 4.291 3.901 5.740 1.00 93.41 34 A 1 ATOM 266 C C . TRP A 1 34 ? 3.520 3.378 4.526 1.00 94.09 34 A 1 ATOM 267 O O . TRP A 1 34 ? 2.433 3.863 4.212 1.00 93.10 34 A 1 ATOM 268 C CB . TRP A 1 34 ? 5.459 4.781 5.295 1.00 92.92 34 A 1 ATOM 269 C CG . TRP A 1 34 ? 5.020 6.000 4.543 1.00 90.75 34 A 1 ATOM 270 C CD1 . TRP A 1 34 ? 5.002 6.150 3.199 1.00 83.56 34 A 1 ATOM 271 C CD2 . TRP A 1 34 ? 4.469 7.237 5.087 1.00 86.87 34 A 1 ATOM 272 N NE1 . TRP A 1 34 ? 4.486 7.394 2.871 1.00 80.04 34 A 1 ATOM 273 C CE2 . TRP A 1 34 ? 4.138 8.100 3.999 1.00 84.57 34 A 1 ATOM 274 C CE3 . TRP A 1 34 ? 4.211 7.711 6.389 1.00 80.04 34 A 1 ATOM 275 C CZ2 . TRP A 1 34 ? 3.577 9.375 4.192 1.00 82.36 34 A 1 ATOM 276 C CZ3 . TRP A 1 34 ? 3.652 8.986 6.596 1.00 77.21 34 A 1 ATOM 277 C CH2 . TRP A 1 34 ? 3.333 9.818 5.506 1.00 76.29 34 A 1 ATOM 278 N N . SER A 1 35 ? 4.042 2.349 3.873 1.00 92.75 35 A 1 ATOM 279 C CA . SER A 1 35 ? 3.376 1.681 2.755 1.00 93.06 35 A 1 ATOM 280 C C . SER A 1 35 ? 2.021 1.088 3.165 1.00 93.49 35 A 1 ATOM 281 O O . SER A 1 35 ? 1.019 1.299 2.483 1.00 92.91 35 A 1 ATOM 282 C CB . SER A 1 35 ? 4.311 0.603 2.215 1.00 92.19 35 A 1 ATOM 283 O OG . SER A 1 35 ? 3.687 -0.062 1.156 1.00 80.22 35 A 1 ATOM 284 N N . PHE A 1 36 ? 1.960 0.409 4.317 1.00 93.02 36 A 1 ATOM 285 C CA . PHE A 1 36 ? 0.701 -0.135 4.834 1.00 92.63 36 A 1 ATOM 286 C C . PHE A 1 36 ? -0.300 0.966 5.183 1.00 92.97 36 A 1 ATOM 287 O O . PHE A 1 36 ? -1.486 0.810 4.891 1.00 92.11 36 A 1 ATOM 288 C CB . PHE A 1 36 ? 0.969 -1.026 6.054 1.00 91.93 36 A 1 ATOM 289 C CG . PHE A 1 36 ? 1.823 -2.255 5.793 1.00 90.82 36 A 1 ATOM 290 C CD1 . PHE A 1 36 ? 1.695 -2.997 4.601 1.00 84.53 36 A 1 ATOM 291 C CD2 . PHE A 1 36 ? 2.753 -2.679 6.766 1.00 84.46 36 A 1 ATOM 292 C CE1 . PHE A 1 36 ? 2.497 -4.128 4.376 1.00 79.50 36 A 1 ATOM 293 C CE2 . PHE A 1 36 ? 3.550 -3.811 6.543 1.00 81.46 36 A 1 ATOM 294 C CZ . PHE A 1 36 ? 3.426 -4.533 5.346 1.00 83.26 36 A 1 ATOM 295 N N . TYR A 1 37 ? 0.155 2.088 5.747 1.00 94.60 37 A 1 ATOM 296 C CA . TYR A 1 37 ? -0.690 3.254 5.995 1.00 94.68 37 A 1 ATOM 297 C C . TYR A 1 37 ? -1.366 3.739 4.707 1.00 95.09 37 A 1 ATOM 298 O O . TYR A 1 37 ? -2.590 3.865 4.677 1.00 94.76 37 A 1 ATOM 299 C CB . TYR A 1 37 ? 0.143 4.360 6.661 1.00 94.10 37 A 1 ATOM 300 C CG . TYR A 1 37 ? -0.588 5.686 6.727 1.00 90.65 37 A 1 ATOM 301 C CD1 . TYR A 1 37 ? -0.429 6.627 5.687 1.00 86.40 37 A 1 ATOM 302 C CD2 . TYR A 1 37 ? -1.492 5.943 7.772 1.00 86.07 37 A 1 ATOM 303 C CE1 . TYR A 1 37 ? -1.194 7.806 5.678 1.00 80.99 37 A 1 ATOM 304 C CE2 . TYR A 1 37 ? -2.261 7.124 7.764 1.00 82.58 37 A 1 ATOM 305 C CZ . TYR A 1 37 ? -2.121 8.047 6.707 1.00 82.69 37 A 1 ATOM 306 O OH . TYR A 1 37 ? -2.903 9.162 6.670 1.00 81.09 37 A 1 ATOM 307 N N . LEU A 1 38 ? -0.614 3.918 3.619 1.00 92.10 38 A 1 ATOM 308 C CA . LEU A 1 38 ? -1.165 4.362 2.330 1.00 91.78 38 A 1 ATOM 309 C C . LEU A 1 38 ? -2.190 3.378 1.753 1.00 92.41 38 A 1 ATOM 310 O O . LEU A 1 38 ? -3.192 3.791 1.168 1.00 92.90 38 A 1 ATOM 311 C CB . LEU A 1 38 ? -0.020 4.552 1.320 1.00 92.33 38 A 1 ATOM 312 C CG . LEU A 1 38 ? 0.898 5.753 1.595 1.00 88.66 38 A 1 ATOM 313 C CD1 . LEU A 1 38 ? 2.029 5.739 0.570 1.00 82.08 38 A 1 ATOM 314 C CD2 . LEU A 1 38 ? 0.165 7.088 1.466 1.00 82.77 38 A 1 ATOM 315 N N . VAL A 1 39 ? -1.965 2.072 1.919 1.00 92.19 39 A 1 ATOM 316 C CA . VAL A 1 39 ? -2.928 1.047 1.484 1.00 92.29 39 A 1 ATOM 317 C C . VAL A 1 39 ? -4.222 1.158 2.289 1.00 92.78 39 A 1 ATOM 318 O O . VAL A 1 39 ? -5.303 1.167 1.698 1.00 93.46 39 A 1 ATOM 319 C CB . VAL A 1 39 ? -2.328 -0.369 1.580 1.00 92.65 39 A 1 ATOM 320 C CG1 . VAL A 1 39 ? -3.357 -1.460 1.255 1.00 87.64 39 A 1 ATOM 321 C CG2 . VAL A 1 39 ? -1.179 -0.534 0.577 1.00 87.80 39 A 1 ATOM 322 N N . VAL A 1 40 ? -4.134 1.283 3.617 1.00 94.22 40 A 1 ATOM 323 C CA . VAL A 1 40 ? -5.306 1.427 4.495 1.00 94.03 40 A 1 ATOM 324 C C . VAL A 1 40 ? -6.066 2.715 4.181 1.00 93.99 40 A 1 ATOM 325 O O . VAL A 1 40 ? -7.279 2.663 3.985 1.00 93.92 40 A 1 ATOM 326 C CB . VAL A 1 40 ? -4.894 1.360 5.979 1.00 93.89 40 A 1 ATOM 327 C CG1 . VAL A 1 40 ? -6.057 1.685 6.925 1.00 88.76 40 A 1 ATOM 328 C CG2 . VAL A 1 40 ? -4.408 -0.056 6.331 1.00 88.46 40 A 1 ATOM 329 N N . GLU A 1 41 ? -5.372 3.838 4.057 1.00 94.63 41 A 1 ATOM 330 C CA . GLU A 1 41 ? -5.963 5.128 3.680 1.00 93.69 41 A 1 ATOM 331 C C . GLU A 1 41 ? -6.720 5.023 2.351 1.00 93.92 41 A 1 ATOM 332 O O . GLU A 1 41 ? -7.879 5.441 2.239 1.00 93.41 41 A 1 ATOM 333 C CB . GLU A 1 41 ? -4.839 6.172 3.598 1.00 92.70 41 A 1 ATOM 334 C CG . GLU A 1 41 ? -5.337 7.579 3.244 1.00 85.97 41 A 1 ATOM 335 C CD . GLU A 1 41 ? -4.165 8.569 3.165 1.00 82.86 41 A 1 ATOM 336 O OE1 . GLU A 1 41 ? -4.194 9.581 3.890 1.00 75.09 41 A 1 ATOM 337 O OE2 . GLU A 1 41 ? -3.214 8.287 2.394 1.00 75.45 41 A 1 ATOM 338 N N . LYS A 1 42 ? -6.115 4.389 1.346 1.00 93.51 42 A 1 ATOM 339 C CA . LYS A 1 42 ? -6.765 4.184 0.049 1.00 92.70 42 A 1 ATOM 340 C C . LYS A 1 42 ? -8.016 3.315 0.159 1.00 94.18 42 A 1 ATOM 341 O O . LYS A 1 42 ? -9.027 3.639 -0.467 1.00 93.99 42 A 1 ATOM 342 C CB . LYS A 1 42 ? -5.756 3.599 -0.953 1.00 92.76 42 A 1 ATOM 343 C CG . LYS A 1 42 ? -6.308 3.497 -2.386 1.00 86.81 42 A 1 ATOM 344 C CD . LYS A 1 42 ? -6.697 4.866 -2.954 1.00 83.07 42 A 1 ATOM 345 C CE . LYS A 1 42 ? -7.192 4.746 -4.393 1.00 79.12 42 A 1 ATOM 346 N NZ . LYS A 1 42 ? -7.702 6.052 -4.870 1.00 70.63 42 A 1 ATOM 347 N N . VAL A 1 43 ? -7.965 2.232 0.937 1.00 93.16 43 A 1 ATOM 348 C CA . VAL A 1 43 ? -9.124 1.359 1.177 1.00 92.70 43 A 1 ATOM 349 C C . VAL A 1 43 ? -10.237 2.129 1.890 1.00 94.18 43 A 1 ATOM 350 O O . VAL A 1 43 ? -11.383 2.069 1.450 1.00 94.16 43 A 1 ATOM 351 C CB . VAL A 1 43 ? -8.705 0.097 1.961 1.00 92.75 43 A 1 ATOM 352 C CG1 . VAL A 1 43 ? -9.905 -0.727 2.446 1.00 89.06 43 A 1 ATOM 353 C CG2 . VAL A 1 43 ? -7.863 -0.830 1.066 1.00 88.47 43 A 1 ATOM 354 N N . MET A 1 44 ? -9.913 2.908 2.936 1.00 93.03 44 A 1 ATOM 355 C CA . MET A 1 44 ? -10.890 3.732 3.655 1.00 93.29 44 A 1 ATOM 356 C C . MET A 1 44 ? -11.542 4.777 2.745 1.00 93.33 44 A 1 ATOM 357 O O . MET A 1 44 ? -12.759 4.947 2.788 1.00 93.49 44 A 1 ATOM 358 C CB . MET A 1 44 ? -10.217 4.418 4.849 1.00 93.61 44 A 1 ATOM 359 C CG . MET A 1 44 ? -9.854 3.421 5.955 1.00 89.50 44 A 1 ATOM 360 S SD . MET A 1 44 ? -9.015 4.151 7.387 1.00 83.08 44 A 1 ATOM 361 C CE . MET A 1 44 ? -10.380 5.128 8.095 1.00 72.40 44 A 1 ATOM 362 N N . THR A 1 45 ? -10.767 5.409 1.860 1.00 95.19 45 A 1 ATOM 363 C CA . THR A 1 45 ? -11.302 6.353 0.863 1.00 93.89 45 A 1 ATOM 364 C C . THR A 1 45 ? -12.273 5.670 -0.103 1.00 94.38 45 A 1 ATOM 365 O O . THR A 1 45 ? -13.335 6.207 -0.408 1.00 92.96 45 A 1 ATOM 366 C CB . THR A 1 45 ? -10.168 7.006 0.056 1.00 92.91 45 A 1 ATOM 367 O OG1 . THR A 1 45 ? -9.195 7.594 0.879 1.00 85.79 45 A 1 ATOM 368 C CG2 . THR A 1 45 ? -10.672 8.117 -0.866 1.00 82.29 45 A 1 ATOM 369 N N . VAL A 1 46 ? -11.944 4.466 -0.578 1.00 94.41 46 A 1 ATOM 370 C CA . VAL A 1 46 ? -12.824 3.698 -1.485 1.00 93.22 46 A 1 ATOM 371 C C . VAL A 1 46 ? -14.108 3.251 -0.782 1.00 93.98 46 A 1 ATOM 372 O O . VAL A 1 46 ? -15.168 3.226 -1.408 1.00 93.04 46 A 1 ATOM 373 C CB . VAL A 1 46 ? -12.067 2.493 -2.082 1.00 93.33 46 A 1 ATOM 374 C CG1 . VAL A 1 46 ? -12.974 1.514 -2.850 1.00 88.59 46 A 1 ATOM 375 C CG2 . VAL A 1 46 ? -11.003 2.977 -3.083 1.00 87.46 46 A 1 ATOM 376 N N . LEU A 1 47 ? -14.030 2.929 0.516 1.00 94.80 47 A 1 ATOM 377 C CA . LEU A 1 47 ? -15.190 2.570 1.334 1.00 93.96 47 A 1 ATOM 378 C C . LEU A 1 47 ? -16.031 3.789 1.756 1.00 94.42 47 A 1 ATOM 379 O O . LEU A 1 47 ? -17.105 3.611 2.327 1.00 93.72 47 A 1 ATOM 380 C CB . LEU A 1 47 ? -14.709 1.762 2.554 1.00 95.15 47 A 1 ATOM 381 C CG . LEU A 1 47 ? -14.131 0.372 2.215 1.00 91.18 47 A 1 ATOM 382 C CD1 . LEU A 1 47 ? -13.543 -0.255 3.481 1.00 83.43 47 A 1 ATOM 383 C CD2 . LEU A 1 47 ? -15.191 -0.581 1.660 1.00 83.87 47 A 1 ATOM 384 N N . GLY A 1 48 ? -15.576 5.013 1.481 1.00 95.04 48 A 1 ATOM 385 C CA . GLY A 1 48 ? -16.273 6.255 1.829 1.00 94.53 48 A 1 ATOM 386 C C . GLY A 1 48 ? -16.181 6.636 3.310 1.00 94.67 48 A 1 ATOM 387 O O . GLY A 1 48 ? -17.053 7.344 3.811 1.00 92.47 48 A 1 ATOM 388 N N . TRP A 1 49 ? -15.147 6.145 4.015 1.00 95.85 49 A 1 ATOM 389 C CA . TRP A 1 49 ? -14.902 6.456 5.429 1.00 95.41 49 A 1 ATOM 390 C C . TRP A 1 49 ? -13.994 7.682 5.625 1.00 94.68 49 A 1 ATOM 391 O O . TRP A 1 49 ? -13.920 8.215 6.726 1.00 89.54 49 A 1 ATOM 392 C CB . TRP A 1 49 ? -14.299 5.229 6.122 1.00 94.60 49 A 1 ATOM 393 C CG . TRP A 1 49 ? -15.179 4.021 6.294 1.00 91.18 49 A 1 ATOM 394 C CD1 . TRP A 1 49 ? -16.370 3.785 5.701 1.00 83.64 49 A 1 ATOM 395 C CD2 . TRP A 1 49 ? -14.936 2.858 7.144 1.00 87.22 49 A 1 ATOM 396 N NE1 . TRP A 1 49 ? -16.877 2.572 6.115 1.00 78.94 49 A 1 ATOM 397 C CE2 . TRP A 1 49 ? -16.033 1.954 7.010 1.00 83.97 49 A 1 ATOM 398 C CE3 . TRP A 1 49 ? -13.896 2.483 8.028 1.00 75.11 49 A 1 ATOM 399 C CZ2 . TRP A 1 49 ? -16.101 0.740 7.713 1.00 82.23 49 A 1 ATOM 400 C CZ3 . TRP A 1 49 ? -13.959 1.267 8.737 1.00 72.93 49 A 1 ATOM 401 C CH2 . TRP A 1 49 ? -15.053 0.397 8.583 1.00 72.94 49 A 1 ATOM 402 N N . LEU A 1 50 ? -13.314 8.112 4.547 1.00 94.48 50 A 1 ATOM 403 C CA . LEU A 1 50 ? -12.508 9.334 4.430 1.00 92.26 50 A 1 ATOM 404 C C . LEU A 1 50 ? -12.950 10.115 3.190 1.00 88.04 50 A 1 ATOM 405 O O . LEU A 1 50 ? -12.977 11.363 3.266 1.00 81.34 50 A 1 ATOM 406 C CB . LEU A 1 50 ? -11.015 8.951 4.326 1.00 88.14 50 A 1 ATOM 407 C CG . LEU A 1 50 ? -10.360 8.464 5.626 1.00 81.53 50 A 1 ATOM 408 C CD1 . LEU A 1 50 ? -8.970 7.891 5.311 1.00 78.82 50 A 1 ATOM 409 C CD2 . LEU A 1 50 ? -10.175 9.609 6.613 1.00 77.84 50 A 1 ATOM 410 O OXT . LEU A 1 50 ? -13.195 9.458 2.156 1.00 74.02 50 A 1 #