# 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_kali # _entry.id kali # 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" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "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 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[C@@H](C(=O)O)N ? "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 H10 N3 O2" 156.162 HIS y HISTIDINE c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N ? "L-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 GLY 2 1 n HIS 3 1 n LYS 4 1 n VAL 5 1 n ALA 6 1 n LYS 7 1 n CYS 8 1 n ILE 9 1 n PHE 10 1 n TYR 11 1 n ASP 12 1 n GLU 13 1 n ALA 14 1 n SER 15 1 n ASN 16 1 n ILE 17 1 n VAL 18 1 n PHE 19 1 n SER 20 1 n ALA 21 1 n HIS 22 1 n GLY 23 1 n ARG 24 1 n PRO 25 1 n ALA 26 1 n LYS 27 1 n ASN 28 1 n MET 29 1 n PHE 30 1 n ILE 31 1 n PRO 32 1 n VAL 33 1 n PRO 34 1 n GLN 35 1 n ARG 36 1 n GLY 37 1 n ASP 38 1 n TRP 39 1 n SER 40 1 n ASP 41 1 n GLY 42 1 n MET 43 1 n PRO 44 1 n LYS 45 1 n LEU 46 1 n TYR 47 1 n GLY 48 1 n ALA 49 1 n PHE 50 1 n SER 51 1 n ALA 52 1 n GLY 53 1 n ALA 54 1 n ILE 55 1 n ASP 56 1 n ARG 57 1 n ARG 58 1 n ARG 59 1 n GLU 60 1 n GLY 61 1 n ILE 62 1 n THR 63 1 n VAL 64 1 n HIS 65 1 n TYR 66 1 n ARG 67 1 n CYS 68 1 n ALA 69 1 n GLY 70 1 n PHE 71 1 n ILE 72 1 n LYS 73 1 n SER 74 1 n THR 75 1 n SER 76 1 n VAL 77 1 n PRO 78 1 n GLY 79 1 n LEU 80 1 n VAL 81 1 n SER 82 1 n ARG 83 1 n VAL 84 1 n PRO 85 1 n TRP 86 1 n LEU 87 1 n LYS 88 1 n LEU 89 # _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 01:30:18)" _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 34.66 _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 40.73 1 1 A GLY 2 2 42.96 1 2 A HIS 3 2 34.08 1 3 A LYS 4 2 31.47 1 4 A VAL 5 2 34.03 1 5 A ALA 6 2 36.43 1 6 A LYS 7 2 38.27 1 7 A CYS 8 2 40.33 1 8 A ILE 9 2 46.64 1 9 A PHE 10 2 41.31 1 10 A TYR 11 2 41.96 1 11 A ASP 12 2 42.62 1 12 A GLU 13 2 41.23 1 13 A ALA 14 2 42.82 1 14 A SER 15 2 41.77 1 15 A ASN 16 2 41.77 1 16 A ILE 17 2 40.79 1 17 A VAL 18 2 43.89 1 18 A PHE 19 2 40.62 1 19 A SER 20 2 44.56 1 20 A ALA 21 2 40.78 1 21 A HIS 22 2 38.23 1 22 A GLY 23 2 42.87 1 23 A ARG 24 2 39.67 1 24 A PRO 25 2 39.84 1 25 A ALA 26 2 41.09 1 26 A LYS 27 2 38.27 1 27 A ASN 28 2 35.96 1 28 A MET 29 2 38.99 1 29 A PHE 30 2 34.01 1 30 A ILE 31 2 42.75 1 31 A PRO 32 2 43.04 1 32 A VAL 33 2 39.92 1 33 A PRO 34 2 41.98 1 34 A GLN 35 2 35.64 1 35 A ARG 36 2 36.12 1 36 A GLY 37 2 41.20 1 37 A ASP 38 2 38.73 1 38 A TRP 39 2 34.06 1 39 A SER 40 2 39.10 1 40 A ASP 41 2 37.61 1 41 A GLY 42 2 40.46 1 42 A MET 43 2 35.04 1 43 A PRO 44 2 38.78 1 44 A LYS 45 2 34.60 1 45 A LEU 46 2 34.34 1 46 A TYR 47 2 29.13 1 47 A GLY 48 2 33.58 1 48 A ALA 49 2 30.49 1 49 A PHE 50 2 30.39 1 50 A SER 51 2 28.83 1 51 A ALA 52 2 29.75 1 52 A GLY 53 2 29.95 1 53 A ALA 54 2 30.96 1 54 A ILE 55 2 31.21 1 55 A ASP 56 2 32.66 1 56 A ARG 57 2 30.35 1 57 A ARG 58 2 32.08 1 58 A ARG 59 2 31.16 1 59 A GLU 60 2 29.21 1 60 A GLY 61 2 33.92 1 61 A ILE 62 2 33.05 1 62 A THR 63 2 31.04 1 63 A VAL 64 2 35.10 1 64 A HIS 65 2 30.55 1 65 A TYR 66 2 32.89 1 66 A ARG 67 2 29.18 1 67 A CYS 68 2 30.43 1 68 A ALA 69 2 31.44 1 69 A GLY 70 2 29.97 1 70 A PHE 71 2 22.75 1 71 A ILE 72 2 24.25 1 72 A LYS 73 2 23.05 1 73 A SER 74 2 27.51 1 74 A THR 75 2 25.88 1 75 A SER 76 2 29.28 1 76 A VAL 77 2 26.77 1 77 A PRO 78 2 33.74 1 78 A GLY 79 2 32.67 1 79 A LEU 80 2 27.05 1 80 A VAL 81 2 29.13 1 81 A SER 82 2 30.84 1 82 A ARG 83 2 27.82 1 83 A VAL 84 2 30.75 1 84 A PRO 85 2 37.26 1 85 A TRP 86 2 28.65 1 86 A LEU 87 2 30.36 1 87 A LYS 88 2 31.00 1 88 A LEU 89 2 33.17 1 89 # _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 GLY . 2 A 2 A 3 1 n HIS . 3 A 3 A 4 1 n LYS . 4 A 4 A 5 1 n VAL . 5 A 5 A 6 1 n ALA . 6 A 6 A 7 1 n LYS . 7 A 7 A 8 1 n CYS . 8 A 8 A 9 1 n ILE . 9 A 9 A 10 1 n PHE . 10 A 10 A 11 1 n TYR . 11 A 11 A 12 1 n ASP . 12 A 12 A 13 1 n GLU . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n SER . 15 A 15 A 16 1 n ASN . 16 A 16 A 17 1 n ILE . 17 A 17 A 18 1 n VAL . 18 A 18 A 19 1 n PHE . 19 A 19 A 20 1 n SER . 20 A 20 A 21 1 n ALA . 21 A 21 A 22 1 n HIS . 22 A 22 A 23 1 n GLY . 23 A 23 A 24 1 n ARG . 24 A 24 A 25 1 n PRO . 25 A 25 A 26 1 n ALA . 26 A 26 A 27 1 n LYS . 27 A 27 A 28 1 n ASN . 28 A 28 A 29 1 n MET . 29 A 29 A 30 1 n PHE . 30 A 30 A 31 1 n ILE . 31 A 31 A 32 1 n PRO . 32 A 32 A 33 1 n VAL . 33 A 33 A 34 1 n PRO . 34 A 34 A 35 1 n GLN . 35 A 35 A 36 1 n ARG . 36 A 36 A 37 1 n GLY . 37 A 37 A 38 1 n ASP . 38 A 38 A 39 1 n TRP . 39 A 39 A 40 1 n SER . 40 A 40 A 41 1 n ASP . 41 A 41 A 42 1 n GLY . 42 A 42 A 43 1 n MET . 43 A 43 A 44 1 n PRO . 44 A 44 A 45 1 n LYS . 45 A 45 A 46 1 n LEU . 46 A 46 A 47 1 n TYR . 47 A 47 A 48 1 n GLY . 48 A 48 A 49 1 n ALA . 49 A 49 A 50 1 n PHE . 50 A 50 A 51 1 n SER . 51 A 51 A 52 1 n ALA . 52 A 52 A 53 1 n GLY . 53 A 53 A 54 1 n ALA . 54 A 54 A 55 1 n ILE . 55 A 55 A 56 1 n ASP . 56 A 56 A 57 1 n ARG . 57 A 57 A 58 1 n ARG . 58 A 58 A 59 1 n ARG . 59 A 59 A 60 1 n GLU . 60 A 60 A 61 1 n GLY . 61 A 61 A 62 1 n ILE . 62 A 62 A 63 1 n THR . 63 A 63 A 64 1 n VAL . 64 A 64 A 65 1 n HIS . 65 A 65 A 66 1 n TYR . 66 A 66 A 67 1 n ARG . 67 A 67 A 68 1 n CYS . 68 A 68 A 69 1 n ALA . 69 A 69 A 70 1 n GLY . 70 A 70 A 71 1 n PHE . 71 A 71 A 72 1 n ILE . 72 A 72 A 73 1 n LYS . 73 A 73 A 74 1 n SER . 74 A 74 A 75 1 n THR . 75 A 75 A 76 1 n SER . 76 A 76 A 77 1 n VAL . 77 A 77 A 78 1 n PRO . 78 A 78 A 79 1 n GLY . 79 A 79 A 80 1 n LEU . 80 A 80 A 81 1 n VAL . 81 A 81 A 82 1 n SER . 82 A 82 A 83 1 n ARG . 83 A 83 A 84 1 n VAL . 84 A 84 A 85 1 n PRO . 85 A 85 A 86 1 n TRP . 86 A 86 A 87 1 n LEU . 87 A 87 A 88 1 n LYS . 88 A 88 A 89 1 n LEU . 89 A 89 # _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 ? -25.961 -9.183 3.065 1.00 36.93 1 A 1 ATOM 2 C CA . MET A 1 1 ? -24.732 -9.266 2.246 1.00 44.24 1 A 1 ATOM 3 C C . MET A 1 1 ? -23.698 -8.307 2.821 1.00 45.97 1 A 1 ATOM 4 O O . MET A 1 1 ? -23.905 -7.105 2.766 1.00 44.49 1 A 1 ATOM 5 C CB . MET A 1 1 ? -25.021 -8.931 0.774 1.00 44.20 1 A 1 ATOM 6 C CG . MET A 1 1 ? -25.688 -10.100 0.039 1.00 39.23 1 A 1 ATOM 7 S SD . MET A 1 1 ? -26.194 -9.655 -1.634 1.00 36.07 1 A 1 ATOM 8 C CE . MET A 1 1 ? -26.634 -11.276 -2.304 1.00 34.74 1 A 1 ATOM 9 N N . GLY A 1 2 ? -22.661 -8.843 3.471 1.00 39.62 2 A 1 ATOM 10 C CA . GLY A 1 2 ? -21.621 -8.012 4.092 1.00 44.38 2 A 1 ATOM 11 C C . GLY A 1 2 ? -20.668 -7.456 3.040 1.00 44.71 2 A 1 ATOM 12 O O . GLY A 1 2 ? -20.089 -8.220 2.273 1.00 43.13 2 A 1 ATOM 13 N N . HIS A 1 3 ? -20.514 -6.145 3.001 1.00 34.52 3 A 1 ATOM 14 C CA . HIS A 1 3 ? -19.519 -5.494 2.153 1.00 37.01 3 A 1 ATOM 15 C C . HIS A 1 3 ? -18.117 -5.781 2.707 1.00 37.47 3 A 1 ATOM 16 O O . HIS A 1 3 ? -17.782 -5.359 3.810 1.00 36.57 3 A 1 ATOM 17 C CB . HIS A 1 3 ? -19.802 -3.986 2.072 1.00 36.63 3 A 1 ATOM 18 C CG . HIS A 1 3 ? -20.934 -3.624 1.133 1.00 33.74 3 A 1 ATOM 19 N ND1 . HIS A 1 3 ? -22.126 -4.296 0.959 1.00 31.20 3 A 1 ATOM 20 C CD2 . HIS A 1 3 ? -20.951 -2.557 0.273 1.00 31.16 3 A 1 ATOM 21 C CE1 . HIS A 1 3 ? -22.829 -3.663 0.018 1.00 30.90 3 A 1 ATOM 22 N NE2 . HIS A 1 3 ? -22.158 -2.592 -0.428 1.00 31.58 3 A 1 ATOM 23 N N . LYS A 1 4 ? -17.311 -6.517 1.950 1.00 31.53 4 A 1 ATOM 24 C CA . LYS A 1 4 ? -15.885 -6.673 2.244 1.00 34.08 4 A 1 ATOM 25 C C . LYS A 1 4 ? -15.187 -5.356 1.913 1.00 34.23 4 A 1 ATOM 26 O O . LYS A 1 4 ? -15.051 -5.004 0.746 1.00 33.47 4 A 1 ATOM 27 C CB . LYS A 1 4 ? -15.283 -7.854 1.462 1.00 34.03 4 A 1 ATOM 28 C CG . LYS A 1 4 ? -15.766 -9.221 1.978 1.00 31.15 4 A 1 ATOM 29 C CD . LYS A 1 4 ? -15.074 -10.373 1.232 1.00 29.87 4 A 1 ATOM 30 C CE . LYS A 1 4 ? -15.537 -11.728 1.784 1.00 28.02 4 A 1 ATOM 31 N NZ . LYS A 1 4 ? -14.868 -12.875 1.118 1.00 26.85 4 A 1 ATOM 32 N N . VAL A 1 5 ? -14.758 -4.627 2.929 1.00 33.75 5 A 1 ATOM 33 C CA . VAL A 1 5 ? -13.953 -3.414 2.748 1.00 35.25 5 A 1 ATOM 34 C C . VAL A 1 5 ? -12.510 -3.837 2.497 1.00 35.47 5 A 1 ATOM 35 O O . VAL A 1 5 ? -11.796 -4.207 3.425 1.00 35.26 5 A 1 ATOM 36 C CB . VAL A 1 5 ? -14.080 -2.455 3.951 1.00 34.61 5 A 1 ATOM 37 C CG1 . VAL A 1 5 ? -13.277 -1.166 3.720 1.00 31.96 5 A 1 ATOM 38 C CG2 . VAL A 1 5 ? -15.544 -2.058 4.196 1.00 31.90 5 A 1 ATOM 39 N N . ALA A 1 6 ? -12.084 -3.807 1.243 1.00 35.47 6 A 1 ATOM 40 C CA . ALA A 1 6 ? -10.680 -3.968 0.895 1.00 36.68 6 A 1 ATOM 41 C C . ALA A 1 6 ? -9.919 -2.711 1.342 1.00 38.15 6 A 1 ATOM 42 O O . ALA A 1 6 ? -10.186 -1.609 0.864 1.00 37.16 6 A 1 ATOM 43 C CB . ALA A 1 6 ? -10.559 -4.235 -0.612 1.00 34.69 6 A 1 ATOM 44 N N . LYS A 1 7 ? -8.996 -2.862 2.300 1.00 39.29 7 A 1 ATOM 45 C CA . LYS A 1 7 ? -8.057 -1.788 2.639 1.00 40.87 7 A 1 ATOM 46 C C . LYS A 1 7 ? -6.934 -1.804 1.611 1.00 41.15 7 A 1 ATOM 47 O O . LYS A 1 7 ? -6.019 -2.616 1.708 1.00 40.83 7 A 1 ATOM 48 C CB . LYS A 1 7 ? -7.528 -1.938 4.071 1.00 41.00 7 A 1 ATOM 49 C CG . LYS A 1 7 ? -8.525 -1.427 5.119 1.00 37.92 7 A 1 ATOM 50 C CD . LYS A 1 7 ? -7.891 -1.487 6.514 1.00 36.03 7 A 1 ATOM 51 C CE . LYS A 1 7 ? -8.843 -0.926 7.573 1.00 34.70 7 A 1 ATOM 52 N NZ . LYS A 1 7 ? -8.234 -0.973 8.926 1.00 32.67 7 A 1 ATOM 53 N N . CYS A 1 8 ? -7.007 -0.911 0.638 1.00 40.93 8 A 1 ATOM 54 C CA . CYS A 1 8 ? -5.900 -0.662 -0.274 1.00 41.89 8 A 1 ATOM 55 C C . CYS A 1 8 ? -4.853 0.190 0.453 1.00 42.78 8 A 1 ATOM 56 O O . CYS A 1 8 ? -5.181 1.242 0.999 1.00 41.10 8 A 1 ATOM 57 C CB . CYS A 1 8 ? -6.413 0.017 -1.548 1.00 39.62 8 A 1 ATOM 58 S SG . CYS A 1 8 ? -7.582 -1.086 -2.405 1.00 35.65 8 A 1 ATOM 59 N N . ILE A 1 9 ? -3.624 -0.288 0.493 1.00 47.80 9 A 1 ATOM 60 C CA . ILE A 1 9 ? -2.471 0.481 0.965 1.00 49.17 9 A 1 ATOM 61 C C . ILE A 1 9 ? -1.707 0.907 -0.286 1.00 48.98 9 A 1 ATOM 62 O O . ILE A 1 9 ? -1.293 0.057 -1.073 1.00 47.64 9 A 1 ATOM 63 C CB . ILE A 1 9 ? -1.618 -0.347 1.949 1.00 47.97 9 A 1 ATOM 64 C CG1 . ILE A 1 9 ? -2.449 -0.709 3.204 1.00 44.78 9 A 1 ATOM 65 C CG2 . ILE A 1 9 ? -0.361 0.441 2.347 1.00 44.20 9 A 1 ATOM 66 C CD1 . ILE A 1 9 ? -1.725 -1.615 4.205 1.00 42.62 9 A 1 ATOM 67 N N . PHE A 1 10 ? -1.562 2.211 -0.484 1.00 45.20 10 A 1 ATOM 68 C CA . PHE A 1 10 ? -0.772 2.762 -1.580 1.00 46.31 10 A 1 ATOM 69 C C . PHE A 1 10 ? 0.596 3.144 -1.032 1.00 46.22 10 A 1 ATOM 70 O O . PHE A 1 10 ? 0.686 3.831 -0.016 1.00 44.39 10 A 1 ATOM 71 C CB . PHE A 1 10 ? -1.505 3.945 -2.221 1.00 44.23 10 A 1 ATOM 72 C CG . PHE A 1 10 ? -2.832 3.559 -2.853 1.00 41.45 10 A 1 ATOM 73 C CD1 . PHE A 1 10 ? -2.875 3.091 -4.180 1.00 38.55 10 A 1 ATOM 74 C CD2 . PHE A 1 10 ? -4.024 3.648 -2.108 1.00 38.79 10 A 1 ATOM 75 C CE1 . PHE A 1 10 ? -4.100 2.719 -4.759 1.00 36.43 10 A 1 ATOM 76 C CE2 . PHE A 1 10 ? -5.249 3.269 -2.687 1.00 36.74 10 A 1 ATOM 77 C CZ . PHE A 1 10 ? -5.288 2.806 -4.013 1.00 36.11 10 A 1 ATOM 78 N N . TYR A 1 11 ? 1.637 2.658 -1.677 1.00 45.87 11 A 1 ATOM 79 C CA . TYR A 1 11 ? 3.018 3.015 -1.395 1.00 46.95 11 A 1 ATOM 80 C C . TYR A 1 11 ? 3.525 3.887 -2.539 1.00 47.35 11 A 1 ATOM 81 O O . TYR A 1 11 ? 3.489 3.463 -3.695 1.00 46.18 11 A 1 ATOM 82 C CB . TYR A 1 11 ? 3.850 1.743 -1.220 1.00 45.19 11 A 1 ATOM 83 C CG . TYR A 1 11 ? 5.310 2.016 -0.904 1.00 42.14 11 A 1 ATOM 84 C CD1 . TYR A 1 11 ? 6.295 1.892 -1.906 1.00 39.80 11 A 1 ATOM 85 C CD2 . TYR A 1 11 ? 5.684 2.422 0.390 1.00 40.08 11 A 1 ATOM 86 C CE1 . TYR A 1 11 ? 7.646 2.157 -1.609 1.00 37.90 11 A 1 ATOM 87 C CE2 . TYR A 1 11 ? 7.034 2.693 0.693 1.00 38.23 11 A 1 ATOM 88 C CZ . TYR A 1 11 ? 8.019 2.557 -0.308 1.00 37.41 11 A 1 ATOM 89 O OH . TYR A 1 11 ? 9.321 2.815 -0.013 1.00 36.45 11 A 1 ATOM 90 N N . ASP A 1 12 ? 3.962 5.090 -2.213 1.00 44.90 12 A 1 ATOM 91 C CA . ASP A 1 12 ? 4.690 5.956 -3.133 1.00 45.71 12 A 1 ATOM 92 C C . ASP A 1 12 ? 6.186 5.859 -2.815 1.00 45.67 12 A 1 ATOM 93 O O . ASP A 1 12 ? 6.641 6.296 -1.756 1.00 44.48 12 A 1 ATOM 94 C CB . ASP A 1 12 ? 4.145 7.390 -3.049 1.00 44.40 12 A 1 ATOM 95 C CG . ASP A 1 12 ? 4.948 8.373 -3.907 1.00 40.05 12 A 1 ATOM 96 O OD1 . ASP A 1 12 ? 5.693 7.920 -4.807 1.00 37.63 12 A 1 ATOM 97 O OD2 . ASP A 1 12 ? 4.865 9.580 -3.606 1.00 38.11 12 A 1 ATOM 98 N N . GLU A 1 13 ? 6.921 5.264 -3.730 1.00 44.05 13 A 1 ATOM 99 C CA . GLU A 1 13 ? 8.364 5.034 -3.608 1.00 44.80 13 A 1 ATOM 100 C C . GLU A 1 13 ? 9.158 6.349 -3.531 1.00 44.02 13 A 1 ATOM 101 O O . GLU A 1 13 ? 10.187 6.408 -2.871 1.00 42.47 13 A 1 ATOM 102 C CB . GLU A 1 13 ? 8.795 4.165 -4.803 1.00 44.21 13 A 1 ATOM 103 C CG . GLU A 1 13 ? 10.217 3.602 -4.683 1.00 39.89 13 A 1 ATOM 104 C CD . GLU A 1 13 ? 10.574 2.600 -5.800 1.00 37.89 13 A 1 ATOM 105 O OE1 . GLU A 1 13 ? 11.665 1.985 -5.700 1.00 36.87 13 A 1 ATOM 106 O OE2 . GLU A 1 13 ? 9.769 2.435 -6.748 1.00 36.91 13 A 1 ATOM 107 N N . ALA A 1 14 ? 8.664 7.422 -4.149 1.00 43.59 14 A 1 ATOM 108 C CA . ALA A 1 14 ? 9.350 8.715 -4.164 1.00 43.61 14 A 1 ATOM 109 C C . ALA A 1 14 ? 9.257 9.452 -2.817 1.00 43.51 14 A 1 ATOM 110 O O . ALA A 1 14 ? 10.162 10.210 -2.469 1.00 41.35 14 A 1 ATOM 111 C CB . ALA A 1 14 ? 8.760 9.561 -5.295 1.00 42.06 14 A 1 ATOM 112 N N . SER A 1 15 ? 8.181 9.252 -2.068 1.00 42.58 15 A 1 ATOM 113 C CA . SER A 1 15 ? 7.935 9.961 -0.810 1.00 43.39 15 A 1 ATOM 114 C C . SER A 1 15 ? 8.045 9.082 0.441 1.00 43.45 15 A 1 ATOM 115 O O . SER A 1 15 ? 8.019 9.612 1.550 1.00 41.71 15 A 1 ATOM 116 C CB . SER A 1 15 ? 6.584 10.681 -0.883 1.00 41.50 15 A 1 ATOM 117 O OG . SER A 1 15 ? 5.522 9.776 -1.063 1.00 38.01 15 A 1 ATOM 118 N N . ASN A 1 16 ? 8.197 7.756 0.296 1.00 43.88 16 A 1 ATOM 119 C CA . ASN A 1 16 ? 8.144 6.785 1.396 1.00 44.95 16 A 1 ATOM 120 C C . ASN A 1 16 ? 6.878 6.912 2.270 1.00 45.54 16 A 1 ATOM 121 O O . ASN A 1 16 ? 6.872 6.536 3.445 1.00 44.15 16 A 1 ATOM 122 C CB . ASN A 1 16 ? 9.457 6.819 2.204 1.00 43.34 16 A 1 ATOM 123 C CG . ASN A 1 16 ? 10.605 6.122 1.505 1.00 39.19 16 A 1 ATOM 124 O OD1 . ASN A 1 16 ? 10.462 5.073 0.900 1.00 36.65 16 A 1 ATOM 125 N ND2 . ASN A 1 16 ? 11.803 6.642 1.611 1.00 36.49 16 A 1 ATOM 126 N N . ILE A 1 17 ? 5.799 7.446 1.706 1.00 42.51 17 A 1 ATOM 127 C CA . ILE A 1 17 ? 4.542 7.641 2.434 1.00 43.63 17 A 1 ATOM 128 C C . ILE A 1 17 ? 3.600 6.473 2.142 1.00 44.19 17 A 1 ATOM 129 O O . ILE A 1 17 ? 3.295 6.139 0.997 1.00 42.88 17 A 1 ATOM 130 C CB . ILE A 1 17 ? 3.916 9.021 2.143 1.00 41.85 17 A 1 ATOM 131 C CG1 . ILE A 1 17 ? 4.847 10.153 2.631 1.00 38.01 17 A 1 ATOM 132 C CG2 . ILE A 1 17 ? 2.552 9.155 2.852 1.00 37.43 17 A 1 ATOM 133 C CD1 . ILE A 1 17 ? 4.442 11.555 2.164 1.00 35.81 17 A 1 ATOM 134 N N . VAL A 1 18 ? 3.104 5.877 3.229 1.00 44.67 18 A 1 ATOM 135 C CA . VAL A 1 18 ? 2.070 4.844 3.174 1.00 45.71 18 A 1 ATOM 136 C C . VAL A 1 18 ? 0.706 5.482 3.419 1.00 45.77 18 A 1 ATOM 137 O O . VAL A 1 18 ? 0.437 6.008 4.502 1.00 44.44 18 A 1 ATOM 138 C CB . VAL A 1 18 ? 2.363 3.723 4.182 1.00 44.68 18 A 1 ATOM 139 C CG1 . VAL A 1 18 ? 1.291 2.629 4.100 1.00 41.17 18 A 1 ATOM 140 C CG2 . VAL A 1 18 ? 3.729 3.079 3.915 1.00 40.82 18 A 1 ATOM 141 N N . PHE A 1 19 ? -0.172 5.412 2.426 1.00 44.01 19 A 1 ATOM 142 C CA . PHE A 1 19 ? -1.549 5.880 2.551 1.00 45.05 19 A 1 ATOM 143 C C . PHE A 1 19 ? -2.472 4.710 2.884 1.00 45.02 19 A 1 ATOM 144 O O . PHE A 1 19 ? -2.541 3.709 2.167 1.00 43.60 19 A 1 ATOM 145 C CB . PHE A 1 19 ? -1.979 6.607 1.274 1.00 43.10 19 A 1 ATOM 146 C CG . PHE A 1 19 ? -1.185 7.874 0.998 1.00 40.74 19 A 1 ATOM 147 C CD1 . PHE A 1 19 ? -1.579 9.096 1.579 1.00 38.15 19 A 1 ATOM 148 C CD2 . PHE A 1 19 ? -0.052 7.827 0.167 1.00 38.73 19 A 1 ATOM 149 C CE1 . PHE A 1 19 ? -0.849 10.268 1.316 1.00 36.11 19 A 1 ATOM 150 C CE2 . PHE A 1 19 ? 0.682 9.000 -0.090 1.00 36.51 19 A 1 ATOM 151 C CZ . PHE A 1 19 ? 0.279 10.221 0.480 1.00 35.76 19 A 1 ATOM 152 N N . SER A 1 20 ? -3.220 4.845 3.968 1.00 45.64 20 A 1 ATOM 153 C CA . SER A 1 20 ? -4.362 3.979 4.263 1.00 46.31 20 A 1 ATOM 154 C C . SER A 1 20 ? -5.582 4.441 3.456 1.00 45.77 20 A 1 ATOM 155 O O . SER A 1 20 ? -5.787 5.637 3.275 1.00 44.20 20 A 1 ATOM 156 C CB . SER A 1 20 ? -4.645 4.010 5.768 1.00 44.53 20 A 1 ATOM 157 O OG . SER A 1 20 ? -5.795 3.249 6.091 1.00 40.91 20 A 1 ATOM 158 N N . ALA A 1 21 ? -6.443 3.508 3.046 1.00 41.64 21 A 1 ATOM 159 C CA . ALA A 1 21 ? -7.668 3.768 2.273 1.00 41.72 21 A 1 ATOM 160 C C . ALA A 1 21 ? -8.655 4.773 2.904 1.00 41.77 21 A 1 ATOM 161 O O . ALA A 1 21 ? -9.644 5.146 2.279 1.00 39.54 21 A 1 ATOM 162 C CB . ALA A 1 21 ? -8.361 2.426 2.032 1.00 39.24 21 A 1 ATOM 163 N N . HIS A 1 22 ? -8.402 5.226 4.130 1.00 41.26 22 A 1 ATOM 164 C CA . HIS A 1 22 ? -9.182 6.261 4.813 1.00 42.55 22 A 1 ATOM 165 C C . HIS A 1 22 ? -8.564 7.668 4.724 1.00 42.71 22 A 1 ATOM 166 O O . HIS A 1 22 ? -8.962 8.551 5.480 1.00 40.88 22 A 1 ATOM 167 C CB . HIS A 1 22 ? -9.451 5.811 6.252 1.00 40.18 22 A 1 ATOM 168 C CG . HIS A 1 22 ? -10.308 4.568 6.311 1.00 37.49 22 A 1 ATOM 169 N ND1 . HIS A 1 22 ? -11.587 4.444 5.813 1.00 34.67 22 A 1 ATOM 170 C CD2 . HIS A 1 22 ? -9.962 3.358 6.844 1.00 34.73 22 A 1 ATOM 171 C CE1 . HIS A 1 22 ? -11.999 3.187 6.041 1.00 33.84 22 A 1 ATOM 172 N NE2 . HIS A 1 22 ? -11.045 2.483 6.669 1.00 34.01 22 A 1 ATOM 173 N N . GLY A 1 23 ? -7.594 7.881 3.837 1.00 42.60 23 A 1 ATOM 174 C CA . GLY A 1 23 ? -7.024 9.212 3.577 1.00 43.25 23 A 1 ATOM 175 C C . GLY A 1 23 ? -6.222 9.818 4.730 1.00 44.02 23 A 1 ATOM 176 O O . GLY A 1 23 ? -5.910 11.003 4.703 1.00 41.59 23 A 1 ATOM 177 N N . ARG A 1 24 ? -5.895 9.027 5.756 1.00 42.66 24 A 1 ATOM 178 C CA . ARG A 1 24 ? -5.013 9.465 6.850 1.00 44.62 24 A 1 ATOM 179 C C . ARG A 1 24 ? -3.633 8.838 6.669 1.00 44.14 24 A 1 ATOM 180 O O . ARG A 1 24 ? -3.562 7.629 6.439 1.00 42.30 24 A 1 ATOM 181 C CB . ARG A 1 24 ? -5.622 9.140 8.222 1.00 43.65 24 A 1 ATOM 182 C CG . ARG A 1 24 ? -6.883 9.977 8.484 1.00 39.74 24 A 1 ATOM 183 C CD . ARG A 1 24 ? -7.370 9.798 9.926 1.00 38.62 24 A 1 ATOM 184 N NE . ARG A 1 24 ? -8.592 10.588 10.177 1.00 37.17 24 A 1 ATOM 185 C CZ . ARG A 1 24 ? -9.187 10.764 11.348 1.00 35.17 24 A 1 ATOM 186 N NH1 . ARG A 1 24 ? -8.733 10.224 12.447 1.00 34.49 24 A 1 ATOM 187 N NH2 . ARG A 1 24 ? -10.268 11.491 11.434 1.00 33.77 24 A 1 ATOM 188 N N . PRO A 1 25 ? -2.561 9.621 6.785 1.00 40.12 25 A 1 ATOM 189 C CA . PRO A 1 25 ? -1.217 9.067 6.790 1.00 40.81 25 A 1 ATOM 190 C C . PRO A 1 25 ? -1.067 8.128 7.987 1.00 41.57 25 A 1 ATOM 191 O O . PRO A 1 25 ? -1.371 8.492 9.128 1.00 41.06 25 A 1 ATOM 192 C CB . PRO A 1 25 ? -0.268 10.272 6.840 1.00 38.91 25 A 1 ATOM 193 C CG . PRO A 1 25 ? -1.111 11.374 7.480 1.00 37.53 25 A 1 ATOM 194 C CD . PRO A 1 25 ? -2.532 11.050 7.032 1.00 38.85 25 A 1 ATOM 195 N N . ALA A 1 26 ? -0.628 6.901 7.738 1.00 41.01 26 A 1 ATOM 196 C CA . ALA A 1 26 ? -0.288 5.971 8.798 1.00 41.78 26 A 1 ATOM 197 C C . ALA A 1 26 ? 1.012 6.460 9.453 1.00 41.94 26 A 1 ATOM 198 O O . ALA A 1 26 ? 2.091 6.329 8.881 1.00 40.52 26 A 1 ATOM 199 C CB . ALA A 1 26 ? -0.191 4.555 8.218 1.00 40.19 26 A 1 ATOM 200 N N . LYS A 1 27 ? 0.911 7.060 10.638 1.00 40.15 27 A 1 ATOM 201 C CA . LYS A 1 27 ? 2.099 7.433 11.412 1.00 41.28 27 A 1 ATOM 202 C C . LYS A 1 27 ? 2.882 6.161 11.743 1.00 41.78 27 A 1 ATOM 203 O O . LYS A 1 27 ? 2.330 5.254 12.353 1.00 40.58 27 A 1 ATOM 204 C CB . LYS A 1 27 ? 1.720 8.220 12.683 1.00 40.24 27 A 1 ATOM 205 C CG . LYS A 1 27 ? 1.301 9.669 12.377 1.00 37.42 27 A 1 ATOM 206 C CD . LYS A 1 27 ? 1.075 10.463 13.676 1.00 36.09 27 A 1 ATOM 207 C CE . LYS A 1 27 ? 0.755 11.928 13.368 1.00 34.64 27 A 1 ATOM 208 N NZ . LYS A 1 27 ? 0.614 12.740 14.606 1.00 32.24 27 A 1 ATOM 209 N N . ASN A 1 28 ? 4.146 6.129 11.331 1.00 37.99 28 A 1 ATOM 210 C CA . ASN A 1 28 ? 5.135 5.108 11.705 1.00 39.13 28 A 1 ATOM 211 C C . ASN A 1 28 ? 4.852 3.677 11.214 1.00 39.85 28 A 1 ATOM 212 O O . ASN A 1 28 ? 5.195 2.714 11.895 1.00 38.66 28 A 1 ATOM 213 C CB . ASN A 1 28 ? 5.412 5.179 13.218 1.00 36.64 28 A 1 ATOM 214 C CG . ASN A 1 28 ? 5.763 6.569 13.712 1.00 33.37 28 A 1 ATOM 215 O OD1 . ASN A 1 28 ? 6.175 7.451 12.975 1.00 31.06 28 A 1 ATOM 216 N ND2 . ASN A 1 28 ? 5.592 6.825 14.983 1.00 31.00 28 A 1 ATOM 217 N N . MET A 1 29 ? 4.271 3.512 10.031 1.00 40.41 29 A 1 ATOM 218 C CA . MET A 1 29 ? 4.197 2.188 9.409 1.00 41.20 29 A 1 ATOM 219 C C . MET A 1 29 ? 5.463 1.942 8.584 1.00 41.82 29 A 1 ATOM 220 O O . MET A 1 29 ? 5.586 2.439 7.466 1.00 41.04 29 A 1 ATOM 221 C CB . MET A 1 29 ? 2.889 2.049 8.618 1.00 40.07 29 A 1 ATOM 222 C CG . MET A 1 29 ? 2.608 0.586 8.274 1.00 37.43 29 A 1 ATOM 223 S SD . MET A 1 29 ? 0.950 0.324 7.585 1.00 35.77 29 A 1 ATOM 224 C CE . MET A 1 29 ? 0.996 -1.477 7.390 1.00 34.15 29 A 1 ATOM 225 N N . PHE A 1 30 ? 6.398 1.182 9.143 1.00 38.23 30 A 1 ATOM 226 C CA . PHE A 1 30 ? 7.567 0.704 8.409 1.00 38.71 30 A 1 ATOM 227 C C . PHE A 1 30 ? 7.173 -0.560 7.643 1.00 39.38 30 A 1 ATOM 228 O O . PHE A 1 30 ? 6.839 -1.578 8.252 1.00 38.28 30 A 1 ATOM 229 C CB . PHE A 1 30 ? 8.725 0.469 9.388 1.00 36.38 30 A 1 ATOM 230 C CG . PHE A 1 30 ? 10.056 0.192 8.709 1.00 33.81 30 A 1 ATOM 231 C CD1 . PHE A 1 30 ? 10.525 -1.126 8.555 1.00 31.18 30 A 1 ATOM 232 C CD2 . PHE A 1 30 ? 10.830 1.264 8.232 1.00 31.30 30 A 1 ATOM 233 C CE1 . PHE A 1 30 ? 11.763 -1.367 7.934 1.00 28.78 30 A 1 ATOM 234 C CE2 . PHE A 1 30 ? 12.067 1.022 7.607 1.00 29.22 30 A 1 ATOM 235 C CZ . PHE A 1 30 ? 12.537 -0.293 7.461 1.00 28.84 30 A 1 ATOM 236 N N . ILE A 1 31 ? 7.169 -0.480 6.320 1.00 43.43 31 A 1 ATOM 237 C CA . ILE A 1 31 ? 7.038 -1.659 5.462 1.00 44.56 31 A 1 ATOM 238 C C . ILE A 1 31 ? 8.455 -1.994 4.995 1.00 44.37 31 A 1 ATOM 239 O O . ILE A 1 31 ? 9.010 -1.229 4.205 1.00 43.44 31 A 1 ATOM 240 C CB . ILE A 1 31 ? 6.063 -1.428 4.286 1.00 43.80 31 A 1 ATOM 241 C CG1 . ILE A 1 31 ? 4.669 -1.009 4.815 1.00 41.57 31 A 1 ATOM 242 C CG2 . ILE A 1 31 ? 5.957 -2.709 3.439 1.00 41.02 31 A 1 ATOM 243 C CD1 . ILE A 1 31 ? 3.637 -0.745 3.716 1.00 39.83 31 A 1 ATOM 244 N N . PRO A 1 32 ? 9.067 -3.081 5.483 1.00 44.08 32 A 1 ATOM 245 C CA . PRO A 1 32 ? 10.349 -3.502 4.954 1.00 44.39 32 A 1 ATOM 246 C C . PRO A 1 32 ? 10.156 -3.875 3.484 1.00 44.24 32 A 1 ATOM 247 O O . PRO A 1 32 ? 9.427 -4.816 3.161 1.00 42.99 32 A 1 ATOM 248 C CB . PRO A 1 32 ? 10.801 -4.668 5.840 1.00 42.59 32 A 1 ATOM 249 C CG . PRO A 1 32 ? 9.496 -5.232 6.398 1.00 41.03 32 A 1 ATOM 250 C CD . PRO A 1 32 ? 8.567 -4.023 6.466 1.00 41.94 32 A 1 ATOM 251 N N . VAL A 1 33 ? 10.774 -3.107 2.595 1.00 41.11 33 A 1 ATOM 252 C CA . VAL A 1 33 ? 10.867 -3.476 1.181 1.00 41.58 33 A 1 ATOM 253 C C . VAL A 1 33 ? 11.884 -4.614 1.102 1.00 41.51 33 A 1 ATOM 254 O O . VAL A 1 33 ? 13.036 -4.405 1.485 1.00 40.22 33 A 1 ATOM 255 C CB . VAL A 1 33 ? 11.274 -2.280 0.297 1.00 40.01 33 A 1 ATOM 256 C CG1 . VAL A 1 33 ? 11.289 -2.680 -1.182 1.00 37.69 33 A 1 ATOM 257 C CG2 . VAL A 1 33 ? 10.290 -1.113 0.459 1.00 37.33 33 A 1 ATOM 258 N N . PRO A 1 34 ? 11.478 -5.826 0.681 1.00 42.36 34 A 1 ATOM 259 C CA . PRO A 1 34 ? 12.414 -6.933 0.577 1.00 43.00 34 A 1 ATOM 260 C C . PRO A 1 34 ? 13.504 -6.580 -0.439 1.00 43.01 34 A 1 ATOM 261 O O . PRO A 1 34 ? 13.216 -6.088 -1.536 1.00 41.95 34 A 1 ATOM 262 C CB . PRO A 1 34 ? 11.580 -8.157 0.187 1.00 41.31 34 A 1 ATOM 263 C CG . PRO A 1 34 ? 10.336 -7.565 -0.458 1.00 40.55 34 A 1 ATOM 264 C CD . PRO A 1 34 ? 10.156 -6.221 0.240 1.00 41.69 34 A 1 ATOM 265 N N . GLN A 1 35 ? 14.760 -6.817 -0.060 1.00 39.04 35 A 1 ATOM 266 C CA . GLN A 1 35 ? 15.862 -6.596 -0.987 1.00 39.44 35 A 1 ATOM 267 C C . GLN A 1 35 ? 15.747 -7.567 -2.167 1.00 40.15 35 A 1 ATOM 268 O O . GLN A 1 35 ? 15.157 -8.645 -2.070 1.00 38.34 35 A 1 ATOM 269 C CB . GLN A 1 35 ? 17.219 -6.687 -0.277 1.00 36.90 35 A 1 ATOM 270 C CG . GLN A 1 35 ? 17.428 -5.531 0.714 1.00 33.88 35 A 1 ATOM 271 C CD . GLN A 1 35 ? 18.866 -5.422 1.219 1.00 31.72 35 A 1 ATOM 272 O OE1 . GLN A 1 35 ? 19.748 -6.207 0.911 1.00 31.01 35 A 1 ATOM 273 N NE2 . GLN A 1 35 ? 19.172 -4.416 2.007 1.00 30.27 35 A 1 ATOM 274 N N . ARG A 1 36 ? 16.318 -7.191 -3.290 1.00 40.29 36 A 1 ATOM 275 C CA . ARG A 1 36 ? 16.169 -7.832 -4.615 1.00 40.87 36 A 1 ATOM 276 C C . ARG A 1 36 ? 16.410 -9.359 -4.661 1.00 41.02 36 A 1 ATOM 277 O O . ARG A 1 36 ? 16.068 -9.976 -5.661 1.00 39.60 36 A 1 ATOM 278 C CB . ARG A 1 36 ? 17.115 -7.081 -5.580 1.00 38.74 36 A 1 ATOM 279 C CG . ARG A 1 36 ? 16.600 -6.973 -7.018 1.00 35.74 36 A 1 ATOM 280 C CD . ARG A 1 36 ? 17.601 -6.164 -7.856 1.00 34.73 36 A 1 ATOM 281 N NE . ARG A 1 36 ? 17.070 -5.825 -9.189 1.00 33.69 36 A 1 ATOM 282 C CZ . ARG A 1 36 ? 17.730 -5.194 -10.153 1.00 31.14 36 A 1 ATOM 283 N NH1 . ARG A 1 36 ? 18.979 -4.847 -10.026 1.00 31.04 36 A 1 ATOM 284 N NH2 . ARG A 1 36 ? 17.130 -4.896 -11.273 1.00 30.51 36 A 1 ATOM 285 N N . GLY A 1 37 ? 16.984 -9.966 -3.617 1.00 41.21 37 A 1 ATOM 286 C CA . GLY A 1 37 ? 17.223 -11.404 -3.477 1.00 41.38 37 A 1 ATOM 287 C C . GLY A 1 37 ? 16.115 -12.199 -2.772 1.00 42.26 37 A 1 ATOM 288 O O . GLY A 1 37 ? 16.136 -13.423 -2.840 1.00 39.97 37 A 1 ATOM 289 N N . ASP A 1 38 ? 15.146 -11.555 -2.121 1.00 40.57 38 A 1 ATOM 290 C CA . ASP A 1 38 ? 14.112 -12.221 -1.302 1.00 41.41 38 A 1 ATOM 291 C C . ASP A 1 38 ? 12.847 -12.611 -2.086 1.00 41.79 38 A 1 ATOM 292 O O . ASP A 1 38 ? 11.843 -13.053 -1.520 1.00 39.99 38 A 1 ATOM 293 C CB . ASP A 1 38 ? 13.780 -11.346 -0.087 1.00 39.21 38 A 1 ATOM 294 C CG . ASP A 1 38 ? 14.939 -11.219 0.895 1.00 36.90 38 A 1 ATOM 295 O OD1 . ASP A 1 38 ? 15.653 -12.230 1.090 1.00 35.01 38 A 1 ATOM 296 O OD2 . ASP A 1 38 ? 15.073 -10.120 1.467 1.00 34.96 38 A 1 ATOM 297 N N . TRP A 1 39 ? 12.884 -12.451 -3.401 1.00 36.44 39 A 1 ATOM 298 C CA . TRP A 1 39 ? 11.801 -12.802 -4.308 1.00 37.05 39 A 1 ATOM 299 C C . TRP A 1 39 ? 11.949 -14.257 -4.762 1.00 36.82 39 A 1 ATOM 300 O O . TRP A 1 39 ? 12.506 -14.537 -5.825 1.00 35.80 39 A 1 ATOM 301 C CB . TRP A 1 39 ? 11.778 -11.826 -5.490 1.00 36.17 39 A 1 ATOM 302 C CG . TRP A 1 39 ? 11.561 -10.387 -5.134 1.00 35.39 39 A 1 ATOM 303 C CD1 . TRP A 1 39 ? 12.503 -9.546 -4.654 1.00 33.08 39 A 1 ATOM 304 C CD2 . TRP A 1 39 ? 10.324 -9.605 -5.201 1.00 33.88 39 A 1 ATOM 305 N NE1 . TRP A 1 39 ? 11.940 -8.303 -4.416 1.00 32.45 39 A 1 ATOM 306 C CE2 . TRP A 1 39 ? 10.602 -8.282 -4.742 1.00 32.81 39 A 1 ATOM 307 C CE3 . TRP A 1 39 ? 9.005 -9.884 -5.610 1.00 33.20 39 A 1 ATOM 308 C CZ2 . TRP A 1 39 ? 9.622 -7.281 -4.692 1.00 31.63 39 A 1 ATOM 309 C CZ3 . TRP A 1 39 ? 8.012 -8.884 -5.563 1.00 31.01 39 A 1 ATOM 310 C CH2 . TRP A 1 39 ? 8.318 -7.586 -5.107 1.00 31.07 39 A 1 ATOM 311 N N . SER A 1 40 ? 11.448 -15.203 -3.977 1.00 40.91 40 A 1 ATOM 312 C CA . SER A 1 40 ? 11.165 -16.538 -4.503 1.00 41.07 40 A 1 ATOM 313 C C . SER A 1 40 ? 9.725 -16.559 -5.009 1.00 41.38 40 A 1 ATOM 314 O O . SER A 1 40 ? 8.811 -16.228 -4.257 1.00 38.71 40 A 1 ATOM 315 C CB . SER A 1 40 ? 11.448 -17.643 -3.470 1.00 37.79 40 A 1 ATOM 316 O OG . SER A 1 40 ? 10.709 -17.481 -2.276 1.00 34.75 40 A 1 ATOM 317 N N . ASP A 1 41 ? 9.533 -16.908 -6.275 1.00 39.16 41 A 1 ATOM 318 C CA . ASP A 1 41 ? 8.221 -17.110 -6.917 1.00 40.19 41 A 1 ATOM 319 C C . ASP A 1 41 ? 7.365 -15.850 -7.143 1.00 40.62 41 A 1 ATOM 320 O O . ASP A 1 41 ? 6.140 -15.911 -7.232 1.00 38.94 41 A 1 ATOM 321 C CB . ASP A 1 41 ? 7.464 -18.265 -6.234 1.00 38.24 41 A 1 ATOM 322 C CG . ASP A 1 41 ? 8.356 -19.494 -6.050 1.00 35.81 41 A 1 ATOM 323 O OD1 . ASP A 1 41 ? 9.169 -19.762 -6.966 1.00 33.60 41 A 1 ATOM 324 O OD2 . ASP A 1 41 ? 8.272 -20.109 -4.970 1.00 34.28 41 A 1 ATOM 325 N N . GLY A 1 42 ? 8.005 -14.688 -7.280 1.00 40.15 42 A 1 ATOM 326 C CA . GLY A 1 42 ? 7.301 -13.450 -7.648 1.00 40.78 42 A 1 ATOM 327 C C . GLY A 1 42 ? 6.448 -12.835 -6.537 1.00 41.47 42 A 1 ATOM 328 O O . GLY A 1 42 ? 5.721 -11.872 -6.789 1.00 39.43 42 A 1 ATOM 329 N N . MET A 1 43 ? 6.539 -13.352 -5.318 1.00 37.19 43 A 1 ATOM 330 C CA . MET A 1 43 ? 5.831 -12.832 -4.151 1.00 37.40 43 A 1 ATOM 331 C C . MET A 1 43 ? 6.825 -12.365 -3.076 1.00 38.60 43 A 1 ATOM 332 O O . MET A 1 43 ? 7.747 -13.107 -2.740 1.00 37.99 43 A 1 ATOM 333 C CB . MET A 1 43 ? 4.854 -13.896 -3.621 1.00 35.68 43 A 1 ATOM 334 C CG . MET A 1 43 ? 3.468 -13.296 -3.372 1.00 32.80 43 A 1 ATOM 335 S SD . MET A 1 43 ? 2.249 -14.492 -2.774 1.00 31.19 43 A 1 ATOM 336 C CE . MET A 1 43 ? 0.805 -13.416 -2.640 1.00 29.50 43 A 1 ATOM 337 N N . PRO A 1 44 ? 6.679 -11.155 -2.521 1.00 39.34 44 A 1 ATOM 338 C CA . PRO A 1 44 ? 7.525 -10.724 -1.421 1.00 39.73 44 A 1 ATOM 339 C C . PRO A 1 44 ? 7.273 -11.607 -0.199 1.00 39.41 44 A 1 ATOM 340 O O . PRO A 1 44 ? 6.134 -11.742 0.262 1.00 38.54 44 A 1 ATOM 341 C CB . PRO A 1 44 ? 7.170 -9.254 -1.172 1.00 38.40 44 A 1 ATOM 342 C CG . PRO A 1 44 ? 5.753 -9.114 -1.720 1.00 37.61 44 A 1 ATOM 343 C CD . PRO A 1 44 ? 5.693 -10.138 -2.846 1.00 38.42 44 A 1 ATOM 344 N N . LYS A 1 45 ? 8.335 -12.195 0.366 1.00 37.10 45 A 1 ATOM 345 C CA . LYS A 1 45 ? 8.251 -12.847 1.676 1.00 37.45 45 A 1 ATOM 346 C C . LYS A 1 45 ? 7.939 -11.780 2.724 1.00 37.57 45 A 1 ATOM 347 O O . LYS A 1 45 ? 8.792 -10.978 3.096 1.00 36.11 45 A 1 ATOM 348 C CB . LYS A 1 45 ? 9.541 -13.614 2.005 1.00 36.35 45 A 1 ATOM 349 C CG . LYS A 1 45 ? 9.626 -14.947 1.246 1.00 34.01 45 A 1 ATOM 350 C CD . LYS A 1 45 ? 10.905 -15.710 1.618 1.00 32.47 45 A 1 ATOM 351 C CE . LYS A 1 45 ? 10.966 -17.027 0.844 1.00 31.18 45 A 1 ATOM 352 N NZ . LYS A 1 45 ? 12.275 -17.708 1.014 1.00 29.12 45 A 1 ATOM 353 N N . LEU A 1 46 ? 6.708 -11.767 3.196 1.00 36.62 46 A 1 ATOM 354 C CA . LEU A 1 46 ? 6.320 -10.969 4.352 1.00 36.56 46 A 1 ATOM 355 C C . LEU A 1 46 ? 6.998 -11.565 5.586 1.00 36.52 46 A 1 ATOM 356 O O . LEU A 1 46 ? 6.481 -12.502 6.197 1.00 35.10 46 A 1 ATOM 357 C CB . LEU A 1 46 ? 4.784 -10.961 4.486 1.00 34.93 46 A 1 ATOM 358 C CG . LEU A 1 46 ? 4.064 -10.051 3.487 1.00 32.78 46 A 1 ATOM 359 C CD1 . LEU A 1 46 ? 2.571 -10.392 3.469 1.00 31.03 46 A 1 ATOM 360 C CD2 . LEU A 1 46 ? 4.228 -8.580 3.861 1.00 31.20 46 A 1 ATOM 361 N N . TYR A 1 47 ? 8.162 -11.034 5.948 1.00 33.19 47 A 1 ATOM 362 C CA . TYR A 1 47 ? 8.724 -11.299 7.262 1.00 33.30 47 A 1 ATOM 363 C C . TYR A 1 47 ? 7.781 -10.700 8.299 1.00 33.56 47 A 1 ATOM 364 O O . TYR A 1 47 ? 7.536 -9.495 8.338 1.00 32.27 47 A 1 ATOM 365 C CB . TYR A 1 47 ? 10.164 -10.793 7.365 1.00 31.29 47 A 1 ATOM 366 C CG . TYR A 1 47 ? 11.154 -11.767 6.754 1.00 29.29 47 A 1 ATOM 367 C CD1 . TYR A 1 47 ? 11.676 -12.817 7.536 1.00 27.17 47 A 1 ATOM 368 C CD2 . TYR A 1 47 ? 11.530 -11.644 5.402 1.00 27.38 47 A 1 ATOM 369 C CE1 . TYR A 1 47 ? 12.582 -13.736 6.971 1.00 25.55 47 A 1 ATOM 370 C CE2 . TYR A 1 47 ? 12.432 -12.565 4.833 1.00 26.13 47 A 1 ATOM 371 C CZ . TYR A 1 47 ? 12.961 -13.610 5.622 1.00 25.80 47 A 1 ATOM 372 O OH . TYR A 1 47 ? 13.839 -14.493 5.073 1.00 24.66 47 A 1 ATOM 373 N N . GLY A 1 48 ? 7.188 -11.585 9.087 1.00 33.84 48 A 1 ATOM 374 C CA . GLY A 1 48 ? 6.200 -11.234 10.092 1.00 33.87 48 A 1 ATOM 375 C C . GLY A 1 48 ? 6.749 -10.230 11.096 1.00 34.04 48 A 1 ATOM 376 O O . GLY A 1 48 ? 7.591 -10.564 11.915 1.00 32.56 48 A 1 ATOM 377 N N . ALA A 1 49 ? 6.211 -9.027 11.061 1.00 31.15 49 A 1 ATOM 378 C CA . ALA A 1 49 ? 6.281 -8.067 12.157 1.00 31.00 49 A 1 ATOM 379 C C . ALA A 1 49 ? 5.019 -7.198 12.209 1.00 31.35 49 A 1 ATOM 380 O O . ALA A 1 49 ? 5.073 -5.996 12.416 1.00 30.06 49 A 1 ATOM 381 C CB . ALA A 1 49 ? 7.587 -7.267 12.090 1.00 28.87 49 A 1 ATOM 382 N N . PHE A 1 50 ? 3.848 -7.808 12.062 1.00 32.80 50 A 1 ATOM 383 C CA . PHE A 1 50 ? 2.678 -7.251 12.718 1.00 32.80 50 A 1 ATOM 384 C C . PHE A 1 50 ? 2.739 -7.741 14.157 1.00 32.41 50 A 1 ATOM 385 O O . PHE A 1 50 ? 2.451 -8.904 14.433 1.00 31.42 50 A 1 ATOM 386 C CB . PHE A 1 50 ? 1.387 -7.650 11.996 1.00 31.86 50 A 1 ATOM 387 C CG . PHE A 1 50 ? 1.176 -6.872 10.712 1.00 30.61 50 A 1 ATOM 388 C CD1 . PHE A 1 50 ? 0.624 -5.577 10.759 1.00 29.02 50 A 1 ATOM 389 C CD2 . PHE A 1 50 ? 1.565 -7.420 9.480 1.00 29.52 50 A 1 ATOM 390 C CE1 . PHE A 1 50 ? 0.461 -4.838 9.575 1.00 27.85 50 A 1 ATOM 391 C CE2 . PHE A 1 50 ? 1.406 -6.677 8.296 1.00 28.15 50 A 1 ATOM 392 C CZ . PHE A 1 50 ? 0.852 -5.386 8.344 1.00 27.84 50 A 1 ATOM 393 N N . SER A 1 51 ? 3.162 -6.877 15.071 1.00 30.00 51 A 1 ATOM 394 C CA . SER A 1 51 ? 3.035 -7.182 16.490 1.00 30.09 51 A 1 ATOM 395 C C . SER A 1 51 ? 1.565 -7.486 16.764 1.00 30.19 51 A 1 ATOM 396 O O . SER A 1 51 ? 0.696 -6.620 16.654 1.00 28.74 51 A 1 ATOM 397 C CB . SER A 1 51 ? 3.569 -6.034 17.358 1.00 28.07 51 A 1 ATOM 398 O OG . SER A 1 51 ? 2.977 -4.802 17.005 1.00 25.90 51 A 1 ATOM 399 N N . ALA A 1 52 ? 1.272 -8.741 17.089 1.00 30.34 52 A 1 ATOM 400 C CA . ALA A 1 52 ? -0.079 -9.273 17.296 1.00 30.33 52 A 1 ATOM 401 C C . ALA A 1 52 ? -0.871 -8.569 18.413 1.00 30.50 52 A 1 ATOM 402 O O . ALA A 1 52 ? -2.040 -8.879 18.632 1.00 29.25 52 A 1 ATOM 403 C CB . ALA A 1 52 ? 0.073 -10.776 17.563 1.00 28.35 52 A 1 ATOM 404 N N . GLY A 1 53 ? -0.256 -7.596 19.102 1.00 29.59 53 A 1 ATOM 405 C CA . GLY A 1 53 ? -0.893 -6.788 20.139 1.00 29.92 53 A 1 ATOM 406 C C . GLY A 1 53 ? -1.685 -5.572 19.645 1.00 30.87 53 A 1 ATOM 407 O O . GLY A 1 53 ? -2.464 -5.020 20.415 1.00 29.42 53 A 1 ATOM 408 N N . ALA A 1 54 ? -1.522 -5.141 18.389 1.00 31.02 54 A 1 ATOM 409 C CA . ALA A 1 54 ? -2.191 -3.945 17.862 1.00 31.40 54 A 1 ATOM 410 C C . ALA A 1 54 ? -3.401 -4.246 16.962 1.00 32.13 54 A 1 ATOM 411 O O . ALA A 1 54 ? -4.088 -3.329 16.514 1.00 30.73 54 A 1 ATOM 412 C CB . ALA A 1 54 ? -1.148 -3.080 17.154 1.00 29.51 54 A 1 ATOM 413 N N . ILE A 1 55 ? -3.665 -5.516 16.687 1.00 31.74 55 A 1 ATOM 414 C CA . ILE A 1 55 ? -4.820 -5.933 15.893 1.00 32.50 55 A 1 ATOM 415 C C . ILE A 1 55 ? -5.916 -6.363 16.860 1.00 32.92 55 A 1 ATOM 416 O O . ILE A 1 55 ? -5.854 -7.434 17.463 1.00 32.30 55 A 1 ATOM 417 C CB . ILE A 1 55 ? -4.440 -7.010 14.848 1.00 31.60 55 A 1 ATOM 418 C CG1 . ILE A 1 55 ? -3.290 -6.493 13.943 1.00 29.93 55 A 1 ATOM 419 C CG2 . ILE A 1 55 ? -5.679 -7.373 14.006 1.00 29.94 55 A 1 ATOM 420 C CD1 . ILE A 1 55 ? -2.783 -7.511 12.913 1.00 28.78 55 A 1 ATOM 421 N N . ASP A 1 56 ? -6.919 -5.515 17.007 1.00 33.76 56 A 1 ATOM 422 C CA . ASP A 1 56 ? -8.161 -5.842 17.703 1.00 34.81 56 A 1 ATOM 423 C C . ASP A 1 56 ? -8.721 -7.160 17.146 1.00 35.14 56 A 1 ATOM 424 O O . ASP A 1 56 ? -9.095 -7.257 15.975 1.00 33.97 56 A 1 ATOM 425 C CB . ASP A 1 56 ? -9.140 -4.664 17.549 1.00 33.73 56 A 1 ATOM 426 C CG . ASP A 1 56 ? -10.417 -4.802 18.383 1.00 31.18 56 A 1 ATOM 427 O OD1 . ASP A 1 56 ? -10.581 -5.840 19.070 1.00 29.18 56 A 1 ATOM 428 O OD2 . ASP A 1 56 ? -11.247 -3.873 18.312 1.00 29.51 56 A 1 ATOM 429 N N . ARG A 1 57 ? -8.727 -8.201 17.984 1.00 33.78 57 A 1 ATOM 430 C CA . ARG A 1 57 ? -9.016 -9.612 17.656 1.00 34.67 57 A 1 ATOM 431 C C . ARG A 1 57 ? -10.447 -9.874 17.152 1.00 34.47 57 A 1 ATOM 432 O O . ARG A 1 57 ? -10.845 -11.030 17.048 1.00 32.76 57 A 1 ATOM 433 C CB . ARG A 1 57 ? -8.702 -10.494 18.882 1.00 32.83 57 A 1 ATOM 434 C CG . ARG A 1 57 ? -7.201 -10.693 19.146 1.00 30.26 57 A 1 ATOM 435 C CD . ARG A 1 57 ? -7.026 -11.618 20.363 1.00 29.11 57 A 1 ATOM 436 N NE . ARG A 1 57 ? -5.621 -12.002 20.578 1.00 27.57 57 A 1 ATOM 437 C CZ . ARG A 1 57 ? -5.136 -12.646 21.628 1.00 26.32 57 A 1 ATOM 438 N NH1 . ARG A 1 57 ? -5.885 -12.987 22.638 1.00 26.16 57 A 1 ATOM 439 N NH2 . ARG A 1 57 ? -3.871 -12.963 21.684 1.00 25.96 57 A 1 ATOM 440 N N . ARG A 1 58 ? -11.226 -8.846 16.862 1.00 35.34 58 A 1 ATOM 441 C CA . ARG A 1 58 ? -12.653 -8.971 16.539 1.00 36.20 58 A 1 ATOM 442 C C . ARG A 1 58 ? -13.009 -8.920 15.053 1.00 36.39 58 A 1 ATOM 443 O O . ARG A 1 58 ? -14.196 -9.001 14.747 1.00 34.84 58 A 1 ATOM 444 C CB . ARG A 1 58 ? -13.466 -7.963 17.363 1.00 34.28 58 A 1 ATOM 445 C CG . ARG A 1 58 ? -13.463 -8.322 18.852 1.00 31.34 58 A 1 ATOM 446 C CD . ARG A 1 58 ? -14.463 -7.436 19.597 1.00 30.99 58 A 1 ATOM 447 N NE . ARG A 1 58 ? -14.489 -7.755 21.035 1.00 29.07 58 A 1 ATOM 448 C CZ . ARG A 1 58 ? -15.360 -7.294 21.917 1.00 28.35 58 A 1 ATOM 449 N NH1 . ARG A 1 58 ? -16.320 -6.485 21.576 1.00 28.25 58 A 1 ATOM 450 N NH2 . ARG A 1 58 ? -15.277 -7.640 23.173 1.00 27.82 58 A 1 ATOM 451 N N . ARG A 1 59 ? -12.067 -8.804 14.130 1.00 35.21 59 A 1 ATOM 452 C CA . ARG A 1 59 ? -12.395 -8.789 12.694 1.00 35.39 59 A 1 ATOM 453 C C . ARG A 1 59 ? -11.479 -9.685 11.870 1.00 34.81 59 A 1 ATOM 454 O O . ARG A 1 59 ? -10.329 -9.358 11.596 1.00 33.78 59 A 1 ATOM 455 C CB . ARG A 1 59 ? -12.500 -7.352 12.161 1.00 33.70 59 A 1 ATOM 456 C CG . ARG A 1 59 ? -13.781 -6.681 12.683 1.00 31.00 59 A 1 ATOM 457 C CD . ARG A 1 59 ? -14.040 -5.332 12.011 1.00 29.92 59 A 1 ATOM 458 N NE . ARG A 1 59 ? -15.323 -4.758 12.462 1.00 28.52 59 A 1 ATOM 459 C CZ . ARG A 1 59 ? -15.879 -3.635 12.040 1.00 27.32 59 A 1 ATOM 460 N NH1 . ARG A 1 59 ? -15.304 -2.879 11.145 1.00 26.71 59 A 1 ATOM 461 N NH2 . ARG A 1 59 ? -17.031 -3.251 12.517 1.00 26.38 59 A 1 ATOM 462 N N . GLU A 1 60 ? -12.062 -10.793 11.457 1.00 31.64 60 A 1 ATOM 463 C CA . GLU A 1 60 ? -11.535 -11.734 10.481 1.00 31.65 60 A 1 ATOM 464 C C . GLU A 1 60 ? -11.172 -11.054 9.152 1.00 32.05 60 A 1 ATOM 465 O O . GLU A 1 60 ? -11.907 -10.204 8.646 1.00 31.58 60 A 1 ATOM 466 C CB . GLU A 1 60 ? -12.606 -12.809 10.222 1.00 30.39 60 A 1 ATOM 467 C CG . GLU A 1 60 ? -12.925 -13.669 11.464 1.00 27.90 60 A 1 ATOM 468 C CD . GLU A 1 60 ? -14.100 -14.636 11.223 1.00 26.39 60 A 1 ATOM 469 O OE1 . GLU A 1 60 ? -14.064 -15.734 11.812 1.00 25.14 60 A 1 ATOM 470 O OE2 . GLU A 1 60 ? -15.028 -14.246 10.477 1.00 26.17 60 A 1 ATOM 471 N N . GLY A 1 61 ? -10.066 -11.482 8.564 1.00 33.46 61 A 1 ATOM 472 C CA . GLY A 1 61 ? -9.796 -11.298 7.136 1.00 33.78 61 A 1 ATOM 473 C C . GLY A 1 61 ? -9.156 -9.972 6.725 1.00 34.67 61 A 1 ATOM 474 O O . GLY A 1 61 ? -9.780 -9.160 6.046 1.00 33.77 61 A 1 ATOM 475 N N . ILE A 1 62 ? -7.871 -9.778 7.032 1.00 33.18 62 A 1 ATOM 476 C CA . ILE A 1 62 ? -7.060 -8.788 6.307 1.00 33.99 62 A 1 ATOM 477 C C . ILE A 1 62 ? -6.531 -9.464 5.040 1.00 34.13 62 A 1 ATOM 478 O O . ILE A 1 62 ? -5.587 -10.247 5.093 1.00 33.77 62 A 1 ATOM 479 C CB . ILE A 1 62 ? -5.929 -8.194 7.184 1.00 33.71 62 A 1 ATOM 480 C CG1 . ILE A 1 62 ? -6.517 -7.528 8.452 1.00 32.32 62 A 1 ATOM 481 C CG2 . ILE A 1 62 ? -5.111 -7.172 6.368 1.00 32.14 62 A 1 ATOM 482 C CD1 . ILE A 1 62 ? -5.464 -6.997 9.431 1.00 31.17 62 A 1 ATOM 483 N N . THR A 1 63 ? -7.148 -9.171 3.898 1.00 31.76 63 A 1 ATOM 484 C CA . THR A 1 63 ? -6.592 -9.544 2.592 1.00 32.49 63 A 1 ATOM 485 C C . THR A 1 63 ? -5.752 -8.377 2.096 1.00 33.45 63 A 1 ATOM 486 O O . THR A 1 63 ? -6.292 -7.320 1.766 1.00 32.51 63 A 1 ATOM 487 C CB . THR A 1 63 ? -7.687 -9.911 1.578 1.00 31.02 63 A 1 ATOM 488 O OG1 . THR A 1 63 ? -8.560 -10.869 2.117 1.00 28.42 63 A 1 ATOM 489 C CG2 . THR A 1 63 ? -7.100 -10.525 0.305 1.00 27.64 63 A 1 ATOM 490 N N . VAL A 1 64 ? -4.433 -8.540 2.081 1.00 35.35 64 A 1 ATOM 491 C CA . VAL A 1 64 ? -3.519 -7.529 1.545 1.00 35.97 64 A 1 ATOM 492 C C . VAL A 1 64 ? -3.376 -7.779 0.048 1.00 35.73 64 A 1 ATOM 493 O O . VAL A 1 64 ? -2.804 -8.783 -0.369 1.00 35.35 64 A 1 ATOM 494 C CB . VAL A 1 64 ? -2.163 -7.537 2.272 1.00 35.62 64 A 1 ATOM 495 C CG1 . VAL A 1 64 ? -1.296 -6.368 1.788 1.00 33.95 64 A 1 ATOM 496 C CG2 . VAL A 1 64 ? -2.322 -7.390 3.790 1.00 33.75 64 A 1 ATOM 497 N N . HIS A 1 65 ? -3.931 -6.884 -0.763 1.00 33.57 65 A 1 ATOM 498 C CA . HIS A 1 65 ? -3.726 -6.911 -2.205 1.00 33.97 65 A 1 ATOM 499 C C . HIS A 1 65 ? -2.530 -6.024 -2.547 1.00 34.40 65 A 1 ATOM 500 O O . HIS A 1 65 ? -2.629 -4.797 -2.502 1.00 33.24 65 A 1 ATOM 501 C CB . HIS A 1 65 ? -4.999 -6.472 -2.942 1.00 32.28 65 A 1 ATOM 502 C CG . HIS A 1 65 ? -6.088 -7.519 -2.916 1.00 30.19 65 A 1 ATOM 503 N ND1 . HIS A 1 65 ? -6.230 -8.562 -3.808 1.00 27.97 65 A 1 ATOM 504 C CD2 . HIS A 1 65 ? -7.108 -7.621 -2.011 1.00 27.72 65 A 1 ATOM 505 C CE1 . HIS A 1 65 ? -7.312 -9.272 -3.444 1.00 26.03 65 A 1 ATOM 506 N NE2 . HIS A 1 65 ? -7.879 -8.737 -2.353 1.00 26.09 65 A 1 ATOM 507 N N . TYR A 1 66 ? -1.415 -6.645 -2.919 1.00 35.57 66 A 1 ATOM 508 C CA . TYR A 1 66 ? -0.304 -5.929 -3.538 1.00 35.91 66 A 1 ATOM 509 C C . TYR A 1 66 ? -0.637 -5.747 -5.016 1.00 35.80 66 A 1 ATOM 510 O O . TYR A 1 66 ? -0.665 -6.705 -5.782 1.00 34.81 66 A 1 ATOM 511 C CB . TYR A 1 66 ? 1.012 -6.690 -3.341 1.00 34.92 66 A 1 ATOM 512 C CG . TYR A 1 66 ? 1.430 -6.772 -1.886 1.00 33.62 66 A 1 ATOM 513 C CD1 . TYR A 1 66 ? 2.176 -5.725 -1.308 1.00 31.66 66 A 1 ATOM 514 C CD2 . TYR A 1 66 ? 1.051 -7.882 -1.101 1.00 32.08 66 A 1 ATOM 515 C CE1 . TYR A 1 66 ? 2.541 -5.783 0.046 1.00 30.33 66 A 1 ATOM 516 C CE2 . TYR A 1 66 ? 1.412 -7.936 0.259 1.00 30.86 66 A 1 ATOM 517 C CZ . TYR A 1 66 ? 2.159 -6.886 0.832 1.00 30.01 66 A 1 ATOM 518 O OH . TYR A 1 66 ? 2.509 -6.934 2.139 1.00 29.11 66 A 1 ATOM 519 N N . ARG A 1 67 ? -0.910 -4.519 -5.418 1.00 33.42 67 A 1 ATOM 520 C CA . ARG A 1 67 ? -0.897 -4.154 -6.833 1.00 33.46 67 A 1 ATOM 521 C C . ARG A 1 67 ? 0.431 -3.451 -7.070 1.00 33.65 67 A 1 ATOM 522 O O . ARG A 1 67 ? 0.595 -2.316 -6.638 1.00 32.60 67 A 1 ATOM 523 C CB . ARG A 1 67 ? -2.138 -3.317 -7.194 1.00 31.72 67 A 1 ATOM 524 C CG . ARG A 1 67 ? -2.649 -3.660 -8.604 1.00 29.24 67 A 1 ATOM 525 C CD . ARG A 1 67 ? -3.892 -2.828 -8.951 1.00 27.78 67 A 1 ATOM 526 N NE . ARG A 1 67 ? -4.562 -3.320 -10.173 1.00 26.17 67 A 1 ATOM 527 C CZ . ARG A 1 67 ? -5.617 -2.784 -10.760 1.00 24.50 67 A 1 ATOM 528 N NH1 . ARG A 1 67 ? -6.178 -1.697 -10.315 1.00 24.53 67 A 1 ATOM 529 N NH2 . ARG A 1 67 ? -6.136 -3.337 -11.821 1.00 23.90 67 A 1 ATOM 530 N N . CYS A 1 68 ? 1.365 -4.133 -7.730 1.00 31.26 68 A 1 ATOM 531 C CA . CYS A 1 68 ? 2.524 -3.461 -8.305 1.00 31.55 68 A 1 ATOM 532 C C . CYS A 1 68 ? 1.985 -2.385 -9.249 1.00 31.31 68 A 1 ATOM 533 O O . CYS A 1 68 ? 1.419 -2.701 -10.296 1.00 30.53 68 A 1 ATOM 534 C CB . CYS A 1 68 ? 3.410 -4.471 -9.051 1.00 30.00 68 A 1 ATOM 535 S SG . CYS A 1 68 ? 4.115 -5.659 -7.872 1.00 27.90 68 A 1 ATOM 536 N N . ALA A 1 69 ? 2.094 -1.125 -8.840 1.00 31.84 69 A 1 ATOM 537 C CA . ALA A 1 69 ? 1.802 -0.001 -9.713 1.00 31.99 69 A 1 ATOM 538 C C . ALA A 1 69 ? 2.945 0.092 -10.732 1.00 31.71 69 A 1 ATOM 539 O O . ALA A 1 69 ? 3.873 0.876 -10.590 1.00 30.95 69 A 1 ATOM 540 C CB . ALA A 1 69 ? 1.593 1.266 -8.871 1.00 30.69 69 A 1 ATOM 541 N N . GLY A 1 70 ? 2.887 -0.761 -11.741 1.00 29.97 70 A 1 ATOM 542 C CA . GLY A 1 70 ? 3.593 -0.482 -12.978 1.00 30.34 70 A 1 ATOM 543 C C . GLY A 1 70 ? 3.056 0.835 -13.512 1.00 30.50 70 A 1 ATOM 544 O O . GLY A 1 70 ? 1.869 0.920 -13.808 1.00 29.07 70 A 1 ATOM 545 N N . PHE A 1 71 ? 3.920 1.843 -13.553 1.00 24.89 71 A 1 ATOM 546 C CA . PHE A 1 71 ? 3.792 3.057 -14.353 1.00 25.38 71 A 1 ATOM 547 C C . PHE A 1 71 ? 2.353 3.455 -14.726 1.00 25.94 71 A 1 ATOM 548 O O . PHE A 1 71 ? 1.883 3.193 -15.834 1.00 25.02 71 A 1 ATOM 549 C CB . PHE A 1 71 ? 4.674 2.894 -15.608 1.00 24.07 71 A 1 ATOM 550 C CG . PHE A 1 71 ? 6.075 3.454 -15.451 1.00 22.48 71 A 1 ATOM 551 C CD1 . PHE A 1 71 ? 6.359 4.752 -15.919 1.00 20.88 71 A 1 ATOM 552 C CD2 . PHE A 1 71 ? 7.092 2.689 -14.856 1.00 20.81 71 A 1 ATOM 553 C CE1 . PHE A 1 71 ? 7.655 5.278 -15.795 1.00 19.77 71 A 1 ATOM 554 C CE2 . PHE A 1 71 ? 8.385 3.220 -14.727 1.00 20.42 71 A 1 ATOM 555 C CZ . PHE A 1 71 ? 8.668 4.514 -15.200 1.00 20.57 71 A 1 ATOM 556 N N . ILE A 1 72 ? 1.672 4.182 -13.859 1.00 25.02 72 A 1 ATOM 557 C CA . ILE A 1 72 ? 0.553 5.011 -14.311 1.00 25.20 72 A 1 ATOM 558 C C . ILE A 1 72 ? 1.174 6.258 -14.948 1.00 25.64 72 A 1 ATOM 559 O O . ILE A 1 72 ? 1.346 7.292 -14.313 1.00 25.14 72 A 1 ATOM 560 C CB . ILE A 1 72 ? -0.486 5.300 -13.197 1.00 24.56 72 A 1 ATOM 561 C CG1 . ILE A 1 72 ? -1.014 3.978 -12.587 1.00 23.04 72 A 1 ATOM 562 C CG2 . ILE A 1 72 ? -1.655 6.122 -13.784 1.00 23.48 72 A 1 ATOM 563 C CD1 . ILE A 1 72 ? -2.034 4.154 -11.454 1.00 21.94 72 A 1 ATOM 564 N N . LYS A 1 73 ? 1.543 6.141 -16.224 1.00 23.53 73 A 1 ATOM 565 C CA . LYS A 1 73 ? 1.574 7.318 -17.089 1.00 25.12 73 A 1 ATOM 566 C C . LYS A 1 73 ? 0.174 7.911 -17.024 1.00 25.71 73 A 1 ATOM 567 O O . LYS A 1 73 ? -0.805 7.204 -17.281 1.00 25.01 73 A 1 ATOM 568 C CB . LYS A 1 73 ? 1.959 6.965 -18.537 1.00 24.37 73 A 1 ATOM 569 C CG . LYS A 1 73 ? 3.440 7.245 -18.835 1.00 22.53 73 A 1 ATOM 570 C CD . LYS A 1 73 ? 3.769 6.969 -20.307 1.00 21.62 73 A 1 ATOM 571 C CE . LYS A 1 73 ? 5.221 7.354 -20.620 1.00 20.08 73 A 1 ATOM 572 N NZ . LYS A 1 73 ? 5.575 7.103 -22.040 1.00 19.45 73 A 1 ATOM 573 N N . SER A 1 74 ? 0.087 9.166 -16.652 1.00 28.08 74 A 1 ATOM 574 C CA . SER A 1 74 ? -1.131 9.964 -16.611 1.00 28.43 74 A 1 ATOM 575 C C . SER A 1 74 ? -1.840 9.910 -17.963 1.00 28.42 74 A 1 ATOM 576 O O . SER A 1 74 ? -1.594 10.734 -18.842 1.00 27.58 74 A 1 ATOM 577 C CB . SER A 1 74 ? -0.751 11.406 -16.250 1.00 27.22 74 A 1 ATOM 578 O OG . SER A 1 74 ? 0.240 11.875 -17.144 1.00 25.33 74 A 1 ATOM 579 N N . THR A 1 75 ? -2.716 8.936 -18.149 1.00 26.11 75 A 1 ATOM 580 C CA . THR A 1 75 ? -3.776 9.031 -19.142 1.00 27.26 75 A 1 ATOM 581 C C . THR A 1 75 ? -5.007 9.471 -18.378 1.00 27.56 75 A 1 ATOM 582 O O . THR A 1 75 ? -5.550 8.746 -17.549 1.00 26.78 75 A 1 ATOM 583 C CB . THR A 1 75 ? -3.974 7.728 -19.936 1.00 25.80 75 A 1 ATOM 584 O OG1 . THR A 1 75 ? -3.859 6.596 -19.112 1.00 23.98 75 A 1 ATOM 585 C CG2 . THR A 1 75 ? -2.910 7.607 -21.029 1.00 23.64 75 A 1 ATOM 586 N N . SER A 1 76 ? -5.373 10.720 -18.607 1.00 29.63 76 A 1 ATOM 587 C CA . SER A 1 76 ? -6.608 11.352 -18.162 1.00 30.25 76 A 1 ATOM 588 C C . SER A 1 76 ? -7.773 10.368 -18.267 1.00 30.63 76 A 1 ATOM 589 O O . SER A 1 76 ? -8.194 10.022 -19.370 1.00 29.55 76 A 1 ATOM 590 C CB . SER A 1 76 ? -6.866 12.561 -19.072 1.00 28.95 76 A 1 ATOM 591 O OG . SER A 1 76 ? -6.738 12.181 -20.435 1.00 26.67 76 A 1 ATOM 592 N N . VAL A 1 77 ? -8.293 9.925 -17.118 1.00 27.34 77 A 1 ATOM 593 C CA . VAL A 1 77 ? -9.581 9.233 -17.070 1.00 28.04 77 A 1 ATOM 594 C C . VAL A 1 77 ? -10.648 10.331 -17.034 1.00 27.95 77 A 1 ATOM 595 O O . VAL A 1 77 ? -10.765 11.021 -16.012 1.00 27.25 77 A 1 ATOM 596 C CB . VAL A 1 77 ? -9.688 8.275 -15.868 1.00 26.95 77 A 1 ATOM 597 C CG1 . VAL A 1 77 ? -11.028 7.532 -15.889 1.00 24.66 77 A 1 ATOM 598 C CG2 . VAL A 1 77 ? -8.567 7.226 -15.892 1.00 25.17 77 A 1 ATOM 599 N N . PRO A 1 78 ? -11.402 10.557 -18.122 1.00 32.56 78 A 1 ATOM 600 C CA . PRO A 1 78 ? -12.449 11.565 -18.124 1.00 33.93 78 A 1 ATOM 601 C C . PRO A 1 78 ? -13.533 11.133 -17.135 1.00 34.27 78 A 1 ATOM 602 O O . PRO A 1 78 ? -14.058 10.027 -17.228 1.00 34.29 78 A 1 ATOM 603 C CB . PRO A 1 78 ? -12.963 11.650 -19.572 1.00 33.32 78 A 1 ATOM 604 C CG . PRO A 1 78 ? -11.948 10.860 -20.393 1.00 32.88 78 A 1 ATOM 605 C CD . PRO A 1 78 ? -11.370 9.866 -19.390 1.00 34.92 78 A 1 ATOM 606 N N . GLY A 1 79 ? -13.837 11.984 -16.155 1.00 32.12 79 A 1 ATOM 607 C CA . GLY A 1 79 ? -14.937 11.754 -15.207 1.00 33.16 79 A 1 ATOM 608 C C . GLY A 1 79 ? -14.552 11.522 -13.741 1.00 33.46 79 A 1 ATOM 609 O O . GLY A 1 79 ? -15.443 11.527 -12.890 1.00 31.92 79 A 1 ATOM 610 N N . LEU A 1 80 ? -13.268 11.386 -13.387 1.00 27.56 80 A 1 ATOM 611 C CA . LEU A 1 80 ? -12.866 11.227 -11.976 1.00 28.53 80 A 1 ATOM 612 C C . LEU A 1 80 ? -12.662 12.563 -11.228 1.00 28.83 80 A 1 ATOM 613 O O . LEU A 1 80 ? -12.623 12.580 -10.002 1.00 28.29 80 A 1 ATOM 614 C CB . LEU A 1 80 ? -11.626 10.312 -11.886 1.00 27.86 80 A 1 ATOM 615 C CG . LEU A 1 80 ? -11.648 9.424 -10.630 1.00 26.00 80 A 1 ATOM 616 C CD1 . LEU A 1 80 ? -12.416 8.124 -10.893 1.00 24.37 80 A 1 ATOM 617 C CD2 . LEU A 1 80 ? -10.237 9.052 -10.184 1.00 24.98 80 A 1 ATOM 618 N N . VAL A 1 81 ? -12.570 13.669 -11.945 1.00 29.08 81 A 1 ATOM 619 C CA . VAL A 1 81 ? -12.262 15.001 -11.371 1.00 30.24 81 A 1 ATOM 620 C C . VAL A 1 81 ? -13.460 15.634 -10.640 1.00 30.49 81 A 1 ATOM 621 O O . VAL A 1 81 ? -13.284 16.512 -9.804 1.00 30.06 81 A 1 ATOM 622 C CB . VAL A 1 81 ? -11.680 15.928 -12.461 1.00 29.54 81 A 1 ATOM 623 C CG1 . VAL A 1 81 ? -11.217 17.286 -11.921 1.00 26.97 81 A 1 ATOM 624 C CG2 . VAL A 1 81 ? -10.461 15.279 -13.138 1.00 27.55 81 A 1 ATOM 625 N N . SER A 1 82 ? -14.682 15.170 -10.862 1.00 30.94 82 A 1 ATOM 626 C CA . SER A 1 82 ? -15.885 15.786 -10.270 1.00 31.98 82 A 1 ATOM 627 C C . SER A 1 82 ? -16.284 15.245 -8.891 1.00 32.08 82 A 1 ATOM 628 O O . SER A 1 82 ? -17.243 15.740 -8.302 1.00 30.87 82 A 1 ATOM 629 C CB . SER A 1 82 ? -17.057 15.687 -11.251 1.00 30.87 82 A 1 ATOM 630 O OG . SER A 1 82 ? -17.337 14.330 -11.544 1.00 28.33 82 A 1 ATOM 631 N N . ARG A 1 83 ? -15.583 14.243 -8.334 1.00 29.38 83 A 1 ATOM 632 C CA . ARG A 1 83 ? -15.961 13.611 -7.049 1.00 31.04 83 A 1 ATOM 633 C C . ARG A 1 83 ? -14.911 13.678 -5.936 1.00 30.36 83 A 1 ATOM 634 O O . ARG A 1 83 ? -15.170 13.161 -4.852 1.00 29.40 83 A 1 ATOM 635 C CB . ARG A 1 83 ? -16.473 12.182 -7.286 1.00 30.26 83 A 1 ATOM 636 C CG . ARG A 1 83 ? -17.878 12.191 -7.900 1.00 27.97 83 A 1 ATOM 637 C CD . ARG A 1 83 ? -18.475 10.782 -7.889 1.00 27.10 83 A 1 ATOM 638 N NE . ARG A 1 83 ? -19.870 10.785 -8.366 1.00 25.47 83 A 1 ATOM 639 C CZ . ARG A 1 83 ? -20.710 9.766 -8.338 1.00 24.98 83 A 1 ATOM 640 N NH1 . ARG A 1 83 ? -20.363 8.596 -7.870 1.00 25.06 83 A 1 ATOM 641 N NH2 . ARG A 1 83 ? -21.929 9.905 -8.783 1.00 24.95 83 A 1 ATOM 642 N N . VAL A 1 84 ? -13.782 14.328 -6.165 1.00 31.19 84 A 1 ATOM 643 C CA . VAL A 1 84 ? -12.755 14.492 -5.127 1.00 32.29 84 A 1 ATOM 644 C C . VAL A 1 84 ? -12.456 15.988 -4.961 1.00 31.94 84 A 1 ATOM 645 O O . VAL A 1 84 ? -11.651 16.531 -5.712 1.00 31.25 84 A 1 ATOM 646 C CB . VAL A 1 84 ? -11.492 13.659 -5.435 1.00 31.05 84 A 1 ATOM 647 C CG1 . VAL A 1 84 ? -10.584 13.633 -4.199 1.00 28.40 84 A 1 ATOM 648 C CG2 . VAL A 1 84 ? -11.828 12.201 -5.787 1.00 29.14 84 A 1 ATOM 649 N N . PRO A 1 85 ? -13.065 16.678 -3.988 1.00 35.82 85 A 1 ATOM 650 C CA . PRO A 1 85 ? -12.943 18.136 -3.836 1.00 37.89 85 A 1 ATOM 651 C C . PRO A 1 85 ? -11.559 18.620 -3.360 1.00 38.28 85 A 1 ATOM 652 O O . PRO A 1 85 ? -11.387 19.797 -3.073 1.00 37.41 85 A 1 ATOM 653 C CB . PRO A 1 85 ? -14.082 18.538 -2.882 1.00 37.13 85 A 1 ATOM 654 C CG . PRO A 1 85 ? -14.323 17.285 -2.046 1.00 35.77 85 A 1 ATOM 655 C CD . PRO A 1 85 ? -14.025 16.146 -3.021 1.00 38.51 85 A 1 ATOM 656 N N . TRP A 1 86 ? -10.571 17.744 -3.276 1.00 31.32 86 A 1 ATOM 657 C CA . TRP A 1 86 ? -9.236 18.041 -2.733 1.00 31.13 86 A 1 ATOM 658 C C . TRP A 1 86 ? -8.093 17.985 -3.757 1.00 30.59 86 A 1 ATOM 659 O O . TRP A 1 86 ? -6.945 18.187 -3.382 1.00 29.78 86 A 1 ATOM 660 C CB . TRP A 1 86 ? -8.978 17.126 -1.531 1.00 30.52 86 A 1 ATOM 661 C CG . TRP A 1 86 ? -10.017 17.231 -0.456 1.00 29.95 86 A 1 ATOM 662 C CD1 . TRP A 1 86 ? -11.052 16.381 -0.271 1.00 27.38 86 A 1 ATOM 663 C CD2 . TRP A 1 86 ? -10.152 18.258 0.575 1.00 27.86 86 A 1 ATOM 664 N NE1 . TRP A 1 86 ? -11.822 16.817 0.791 1.00 27.38 86 A 1 ATOM 665 C CE2 . TRP A 1 86 ? -11.311 17.966 1.353 1.00 27.93 86 A 1 ATOM 666 C CE3 . TRP A 1 86 ? -9.403 19.399 0.933 1.00 29.03 86 A 1 ATOM 667 C CZ2 . TRP A 1 86 ? -11.713 18.766 2.432 1.00 27.38 86 A 1 ATOM 668 C CZ3 . TRP A 1 86 ? -9.799 20.207 2.016 1.00 25.62 86 A 1 ATOM 669 C CH2 . TRP A 1 86 ? -10.952 19.895 2.769 1.00 25.22 86 A 1 ATOM 670 N N . LEU A 1 87 ? -8.397 17.745 -5.023 1.00 30.07 87 A 1 ATOM 671 C CA . LEU A 1 87 ? -7.434 17.896 -6.120 1.00 31.95 87 A 1 ATOM 672 C C . LEU A 1 87 ? -7.598 19.287 -6.744 1.00 32.14 87 A 1 ATOM 673 O O . LEU A 1 87 ? -8.130 19.438 -7.839 1.00 31.76 87 A 1 ATOM 674 C CB . LEU A 1 87 ? -7.572 16.713 -7.106 1.00 31.55 87 A 1 ATOM 675 C CG . LEU A 1 87 ? -6.560 15.587 -6.817 1.00 29.26 87 A 1 ATOM 676 C CD1 . LEU A 1 87 ? -7.166 14.218 -7.117 1.00 27.54 87 A 1 ATOM 677 C CD2 . LEU A 1 87 ? -5.303 15.754 -7.680 1.00 28.60 87 A 1 ATOM 678 N N . LYS A 1 88 ? -7.166 20.319 -6.005 1.00 29.72 88 A 1 ATOM 679 C CA . LYS A 1 88 ? -6.760 21.591 -6.608 1.00 32.61 88 A 1 ATOM 680 C C . LYS A 1 88 ? -5.235 21.597 -6.650 1.00 31.63 88 A 1 ATOM 681 O O . LYS A 1 88 ? -4.602 21.544 -5.600 1.00 30.80 88 A 1 ATOM 682 C CB . LYS A 1 88 ? -7.326 22.802 -5.846 1.00 33.66 88 A 1 ATOM 683 C CG . LYS A 1 88 ? -8.782 23.078 -6.246 1.00 31.64 88 A 1 ATOM 684 C CD . LYS A 1 88 ? -9.276 24.387 -5.618 1.00 30.90 88 A 1 ATOM 685 C CE . LYS A 1 88 ? -10.682 24.723 -6.114 1.00 29.58 88 A 1 ATOM 686 N NZ . LYS A 1 88 ? -11.154 26.020 -5.567 1.00 28.49 88 A 1 ATOM 687 N N . LEU A 1 89 ? -4.709 21.592 -7.857 1.00 35.50 89 A 1 ATOM 688 C CA . LEU A 1 89 ? -3.354 22.044 -8.168 1.00 37.39 89 A 1 ATOM 689 C C . LEU A 1 89 ? -3.206 23.519 -7.778 1.00 35.62 89 A 1 ATOM 690 O O . LEU A 1 89 ? -4.193 24.268 -7.948 1.00 32.83 89 A 1 ATOM 691 C CB . LEU A 1 89 ? -3.092 21.844 -9.679 1.00 34.55 89 A 1 ATOM 692 C CG . LEU A 1 89 ? -2.861 20.387 -10.109 1.00 31.94 89 A 1 ATOM 693 C CD1 . LEU A 1 89 ? -3.033 20.260 -11.623 1.00 29.85 89 A 1 ATOM 694 C CD2 . LEU A 1 89 ? -1.446 19.923 -9.747 1.00 30.25 89 A 1 ATOM 695 O OXT . LEU A 1 89 ? -2.073 23.846 -7.341 1.00 30.60 89 A 1 #