# 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_hades # _entry.id hades # 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" "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 THR 2 1 n LYS 3 1 n PHE 4 1 n LEU 5 1 n SER 6 1 n HIS 7 1 n LEU 8 1 n MET 9 1 n LEU 10 1 n ALA 11 1 n THR 12 1 n TYR 13 1 n GLN 14 1 n SER 15 1 n ASN 16 1 n THR 17 1 n HIS 18 1 n LYS 19 1 n PHE 20 1 n MET 21 1 n SER 22 1 n ASP 23 1 n GLY 24 1 n GLU 25 1 n MET 26 1 n GLY 27 1 n LYS 28 1 n ILE 29 1 n TYR 30 1 n GLU 31 1 n VAL 32 1 n THR 33 1 n HIS 34 1 n ALA 35 1 n HIS 36 1 n VAL 37 1 n SER 38 1 n TYR 39 1 n SER 40 1 n ARG 41 1 n LYS 42 1 n ARG 43 1 n LEU 44 1 n ILE 45 1 n LYS 46 1 n GLU 47 1 n GLY 48 1 n HIS 49 1 n SER 50 1 n PHE 51 1 n ALA 52 1 n PHE 53 1 n ASN 54 1 n THR 55 1 n SER 56 1 n VAL 57 1 n THR 58 1 n LYS 59 1 n SER 60 1 n ASN 61 1 n MET 62 1 n PRO 63 1 n VAL 64 1 n GLN 65 1 n THR 66 1 n TYR 67 1 n LYS 68 1 n TYR 69 1 n VAL 70 1 n GLY 71 1 n GLN 72 1 n THR 73 1 n ASN 74 1 n LEU 75 1 n GLY 76 1 n LEU 77 1 n VAL 78 1 n CYS 79 1 n VAL 80 1 n ASP 81 1 n GLU 82 1 n LYS 83 1 n LYS 84 1 n ASP 85 1 n ALA 86 1 n MET 87 1 n ASP 88 1 n GLY 89 1 n ASP 90 1 n THR 91 1 n LEU 92 1 n LEU 93 1 n ARG 94 1 n LEU 95 1 n ARG 96 1 n TYR 97 1 n ARG 98 1 n MET 99 1 n GLN 100 1 n SER 101 1 n PRO 102 1 n SER 103 1 n VAL 104 1 n PRO 105 1 n ALA 106 1 n ARG 107 1 n GLN 108 1 n PHE 109 1 n PRO 110 1 n VAL 111 1 n GLU 112 1 n PRO 113 1 n GLY 114 1 n HIS 115 1 n VAL 116 1 n SER 117 1 n LEU 118 1 n LEU 119 1 n GLY 120 1 n ILE 121 1 n SER 122 1 n SER 123 1 n LEU 124 1 n VAL 125 # _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 01:30:32)" _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 34.77 _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 36.01 1 1 A THR 2 2 34.19 1 2 A LYS 3 2 30.91 1 3 A PHE 4 2 27.80 1 4 A LEU 5 2 30.71 1 5 A SER 6 2 29.83 1 6 A HIS 7 2 27.70 1 7 A LEU 8 2 29.28 1 8 A MET 9 2 25.64 1 9 A LEU 10 2 25.67 1 10 A ALA 11 2 29.22 1 11 A THR 12 2 29.86 1 12 A TYR 13 2 23.49 1 13 A GLN 14 2 26.47 1 14 A SER 15 2 28.77 1 15 A ASN 16 2 27.24 1 16 A THR 17 2 28.74 1 17 A HIS 18 2 27.72 1 18 A LYS 19 2 25.92 1 19 A PHE 20 2 25.17 1 20 A MET 21 2 25.43 1 21 A SER 22 2 28.20 1 22 A ASP 23 2 27.12 1 23 A GLY 24 2 32.30 1 24 A GLU 25 2 25.95 1 25 A MET 26 2 26.69 1 26 A GLY 27 2 31.27 1 27 A LYS 28 2 30.01 1 28 A ILE 29 2 30.25 1 29 A TYR 30 2 31.28 1 30 A GLU 31 2 31.30 1 31 A VAL 32 2 34.76 1 32 A THR 33 2 32.83 1 33 A HIS 34 2 31.27 1 34 A ALA 35 2 33.74 1 35 A HIS 36 2 29.15 1 36 A VAL 37 2 33.37 1 37 A SER 38 2 31.98 1 38 A TYR 39 2 30.65 1 39 A SER 40 2 38.40 1 40 A ARG 41 2 33.49 1 41 A LYS 42 2 37.17 1 42 A ARG 43 2 38.22 1 43 A LEU 44 2 34.24 1 44 A ILE 45 2 34.27 1 45 A LYS 46 2 32.62 1 46 A GLU 47 2 31.59 1 47 A GLY 48 2 36.70 1 48 A HIS 49 2 31.51 1 49 A SER 50 2 32.62 1 50 A PHE 51 2 31.66 1 51 A ALA 52 2 33.14 1 52 A PHE 53 2 30.37 1 53 A ASN 54 2 30.30 1 54 A THR 55 2 30.34 1 55 A SER 56 2 33.04 1 56 A VAL 57 2 32.65 1 57 A THR 58 2 31.66 1 58 A LYS 59 2 33.71 1 59 A SER 60 2 39.02 1 60 A ASN 61 2 41.69 1 61 A MET 62 2 40.77 1 62 A PRO 63 2 45.14 1 63 A VAL 64 2 45.22 1 64 A GLN 65 2 45.63 1 65 A THR 66 2 47.17 1 66 A TYR 67 2 45.47 1 67 A LYS 68 2 45.06 1 68 A TYR 69 2 40.87 1 69 A VAL 70 2 45.39 1 70 A GLY 71 2 48.13 1 71 A GLN 72 2 40.63 1 72 A THR 73 2 43.30 1 73 A ASN 74 2 43.75 1 74 A LEU 75 2 40.31 1 75 A GLY 76 2 45.46 1 76 A LEU 77 2 43.01 1 77 A VAL 78 2 48.05 1 78 A CYS 79 2 50.03 1 79 A VAL 80 2 52.08 1 80 A ASP 81 2 51.25 1 81 A GLU 82 2 45.99 1 82 A LYS 83 2 46.67 1 83 A LYS 84 2 45.64 1 84 A ASP 85 2 41.59 1 85 A ALA 86 2 41.63 1 86 A MET 87 2 40.51 1 87 A ASP 88 2 39.75 1 88 A GLY 89 2 43.62 1 89 A ASP 90 2 41.95 1 90 A THR 91 2 44.22 1 91 A LEU 92 2 41.58 1 92 A LEU 93 2 40.42 1 93 A ARG 94 2 40.97 1 94 A LEU 95 2 44.18 1 95 A ARG 96 2 39.63 1 96 A TYR 97 2 38.65 1 97 A ARG 98 2 39.09 1 98 A MET 99 2 36.85 1 99 A GLN 100 2 37.22 1 100 A SER 101 2 38.38 1 101 A PRO 102 2 39.28 1 102 A SER 103 2 38.24 1 103 A VAL 104 2 34.49 1 104 A PRO 105 2 40.77 1 105 A ALA 106 2 37.27 1 106 A ARG 107 2 33.38 1 107 A GLN 108 2 32.27 1 108 A PHE 109 2 29.46 1 109 A PRO 110 2 39.48 1 110 A VAL 111 2 32.94 1 111 A GLU 112 2 31.20 1 112 A PRO 113 2 38.53 1 113 A GLY 114 2 33.01 1 114 A HIS 115 2 25.72 1 115 A VAL 116 2 25.13 1 116 A SER 117 2 26.47 1 117 A LEU 118 2 23.75 1 118 A LEU 119 2 26.56 1 119 A GLY 120 2 26.09 1 120 A ILE 121 2 21.86 1 121 A SER 122 2 26.11 1 122 A SER 123 2 24.23 1 123 A LEU 124 2 25.45 1 124 A VAL 125 2 27.17 1 125 # _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 THR . 2 A 2 A 3 1 n LYS . 3 A 3 A 4 1 n PHE . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n SER . 6 A 6 A 7 1 n HIS . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n MET . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n ALA . 11 A 11 A 12 1 n THR . 12 A 12 A 13 1 n TYR . 13 A 13 A 14 1 n GLN . 14 A 14 A 15 1 n SER . 15 A 15 A 16 1 n ASN . 16 A 16 A 17 1 n THR . 17 A 17 A 18 1 n HIS . 18 A 18 A 19 1 n LYS . 19 A 19 A 20 1 n PHE . 20 A 20 A 21 1 n MET . 21 A 21 A 22 1 n SER . 22 A 22 A 23 1 n ASP . 23 A 23 A 24 1 n GLY . 24 A 24 A 25 1 n GLU . 25 A 25 A 26 1 n MET . 26 A 26 A 27 1 n GLY . 27 A 27 A 28 1 n LYS . 28 A 28 A 29 1 n ILE . 29 A 29 A 30 1 n TYR . 30 A 30 A 31 1 n GLU . 31 A 31 A 32 1 n VAL . 32 A 32 A 33 1 n THR . 33 A 33 A 34 1 n HIS . 34 A 34 A 35 1 n ALA . 35 A 35 A 36 1 n HIS . 36 A 36 A 37 1 n VAL . 37 A 37 A 38 1 n SER . 38 A 38 A 39 1 n TYR . 39 A 39 A 40 1 n SER . 40 A 40 A 41 1 n ARG . 41 A 41 A 42 1 n LYS . 42 A 42 A 43 1 n ARG . 43 A 43 A 44 1 n LEU . 44 A 44 A 45 1 n ILE . 45 A 45 A 46 1 n LYS . 46 A 46 A 47 1 n GLU . 47 A 47 A 48 1 n GLY . 48 A 48 A 49 1 n HIS . 49 A 49 A 50 1 n SER . 50 A 50 A 51 1 n PHE . 51 A 51 A 52 1 n ALA . 52 A 52 A 53 1 n PHE . 53 A 53 A 54 1 n ASN . 54 A 54 A 55 1 n THR . 55 A 55 A 56 1 n SER . 56 A 56 A 57 1 n VAL . 57 A 57 A 58 1 n THR . 58 A 58 A 59 1 n LYS . 59 A 59 A 60 1 n SER . 60 A 60 A 61 1 n ASN . 61 A 61 A 62 1 n MET . 62 A 62 A 63 1 n PRO . 63 A 63 A 64 1 n VAL . 64 A 64 A 65 1 n GLN . 65 A 65 A 66 1 n THR . 66 A 66 A 67 1 n TYR . 67 A 67 A 68 1 n LYS . 68 A 68 A 69 1 n TYR . 69 A 69 A 70 1 n VAL . 70 A 70 A 71 1 n GLY . 71 A 71 A 72 1 n GLN . 72 A 72 A 73 1 n THR . 73 A 73 A 74 1 n ASN . 74 A 74 A 75 1 n LEU . 75 A 75 A 76 1 n GLY . 76 A 76 A 77 1 n LEU . 77 A 77 A 78 1 n VAL . 78 A 78 A 79 1 n CYS . 79 A 79 A 80 1 n VAL . 80 A 80 A 81 1 n ASP . 81 A 81 A 82 1 n GLU . 82 A 82 A 83 1 n LYS . 83 A 83 A 84 1 n LYS . 84 A 84 A 85 1 n ASP . 85 A 85 A 86 1 n ALA . 86 A 86 A 87 1 n MET . 87 A 87 A 88 1 n ASP . 88 A 88 A 89 1 n GLY . 89 A 89 A 90 1 n ASP . 90 A 90 A 91 1 n THR . 91 A 91 A 92 1 n LEU . 92 A 92 A 93 1 n LEU . 93 A 93 A 94 1 n ARG . 94 A 94 A 95 1 n LEU . 95 A 95 A 96 1 n ARG . 96 A 96 A 97 1 n TYR . 97 A 97 A 98 1 n ARG . 98 A 98 A 99 1 n MET . 99 A 99 A 100 1 n GLN . 100 A 100 A 101 1 n SER . 101 A 101 A 102 1 n PRO . 102 A 102 A 103 1 n SER . 103 A 103 A 104 1 n VAL . 104 A 104 A 105 1 n PRO . 105 A 105 A 106 1 n ALA . 106 A 106 A 107 1 n ARG . 107 A 107 A 108 1 n GLN . 108 A 108 A 109 1 n PHE . 109 A 109 A 110 1 n PRO . 110 A 110 A 111 1 n VAL . 111 A 111 A 112 1 n GLU . 112 A 112 A 113 1 n PRO . 113 A 113 A 114 1 n GLY . 114 A 114 A 115 1 n HIS . 115 A 115 A 116 1 n VAL . 116 A 116 A 117 1 n SER . 117 A 117 A 118 1 n LEU . 118 A 118 A 119 1 n LEU . 119 A 119 A 120 1 n GLY . 120 A 120 A 121 1 n ILE . 121 A 121 A 122 1 n SER . 122 A 122 A 123 1 n SER . 123 A 123 A 124 1 n LEU . 124 A 124 A 125 1 n VAL . 125 A 125 # _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 ? -1.421 -11.856 18.371 1.00 34.56 1 A 1 ATOM 2 C CA . MET A 1 1 ? -1.672 -10.823 17.337 1.00 39.34 1 A 1 ATOM 3 C C . MET A 1 1 ? -1.561 -9.379 17.845 1.00 40.01 1 A 1 ATOM 4 O O . MET A 1 1 ? -1.310 -8.494 17.052 1.00 38.62 1 A 1 ATOM 5 C CB . MET A 1 1 ? -3.009 -11.053 16.628 1.00 39.54 1 A 1 ATOM 6 C CG . MET A 1 1 ? -2.957 -12.265 15.689 1.00 34.51 1 A 1 ATOM 7 S SD . MET A 1 1 ? -4.411 -12.353 14.624 1.00 32.20 1 A 1 ATOM 8 C CE . MET A 1 1 ? -4.703 -14.130 14.559 1.00 29.30 1 A 1 ATOM 9 N N . THR A 1 2 ? -1.656 -9.144 19.152 1.00 32.70 2 A 1 ATOM 10 C CA . THR A 1 2 ? -1.629 -7.806 19.776 1.00 35.64 2 A 1 ATOM 11 C C . THR A 1 2 ? -0.281 -7.075 19.674 1.00 36.32 2 A 1 ATOM 12 O O . THR A 1 2 ? -0.261 -5.856 19.511 1.00 34.87 2 A 1 ATOM 13 C CB . THR A 1 2 ? -2.057 -7.911 21.255 1.00 35.42 2 A 1 ATOM 14 O OG1 . THR A 1 2 ? -2.356 -9.262 21.593 1.00 32.06 2 A 1 ATOM 15 C CG2 . THR A 1 2 ? -3.306 -7.108 21.543 1.00 32.32 2 A 1 ATOM 16 N N . LYS A 1 3 ? 0.855 -7.790 19.668 1.00 30.79 3 A 1 ATOM 17 C CA . LYS A 1 3 ? 2.204 -7.178 19.619 1.00 33.45 3 A 1 ATOM 18 C C . LYS A 1 3 ? 2.566 -6.529 18.272 1.00 33.68 3 A 1 ATOM 19 O O . LYS A 1 3 ? 3.400 -5.630 18.244 1.00 32.46 3 A 1 ATOM 20 C CB . LYS A 1 3 ? 3.273 -8.207 20.037 1.00 33.31 3 A 1 ATOM 21 C CG . LYS A 1 3 ? 3.225 -8.538 21.540 1.00 30.69 3 A 1 ATOM 22 C CD . LYS A 1 3 ? 4.382 -9.464 21.962 1.00 29.87 3 A 1 ATOM 23 C CE . LYS A 1 3 ? 4.344 -9.727 23.472 1.00 27.41 3 A 1 ATOM 24 N NZ . LYS A 1 3 ? 5.466 -10.593 23.933 1.00 26.56 3 A 1 ATOM 25 N N . PHE A 1 4 ? 1.954 -6.950 17.167 1.00 29.96 4 A 1 ATOM 26 C CA . PHE A 1 4 ? 2.261 -6.416 15.832 1.00 30.97 4 A 1 ATOM 27 C C . PHE A 1 4 ? 1.584 -5.057 15.584 1.00 31.27 4 A 1 ATOM 28 O O . PHE A 1 4 ? 2.203 -4.135 15.059 1.00 30.29 4 A 1 ATOM 29 C CB . PHE A 1 4 ? 1.873 -7.464 14.777 1.00 29.88 4 A 1 ATOM 30 C CG . PHE A 1 4 ? 2.618 -7.311 13.466 1.00 27.62 4 A 1 ATOM 31 C CD1 . PHE A 1 4 ? 2.049 -6.601 12.396 1.00 25.73 4 A 1 ATOM 32 C CD2 . PHE A 1 4 ? 3.897 -7.883 13.319 1.00 25.42 4 A 1 ATOM 33 C CE1 . PHE A 1 4 ? 2.749 -6.465 11.184 1.00 24.66 4 A 1 ATOM 34 C CE2 . PHE A 1 4 ? 4.598 -7.746 12.108 1.00 25.01 4 A 1 ATOM 35 C CZ . PHE A 1 4 ? 4.023 -7.039 11.038 1.00 24.98 4 A 1 ATOM 36 N N . LEU A 1 5 ? 0.346 -4.901 16.053 1.00 31.07 5 A 1 ATOM 37 C CA . LEU A 1 5 ? -0.398 -3.631 16.015 1.00 32.64 5 A 1 ATOM 38 C C . LEU A 1 5 ? 0.270 -2.541 16.864 1.00 33.12 5 A 1 ATOM 39 O O . LEU A 1 5 ? 0.310 -1.385 16.454 1.00 32.15 5 A 1 ATOM 40 C CB . LEU A 1 5 ? -1.842 -3.903 16.481 1.00 31.97 5 A 1 ATOM 41 C CG . LEU A 1 5 ? -2.761 -4.318 15.319 1.00 29.56 5 A 1 ATOM 42 C CD1 . LEU A 1 5 ? -3.857 -5.265 15.784 1.00 27.53 5 A 1 ATOM 43 C CD2 . LEU A 1 5 ? -3.407 -3.087 14.684 1.00 27.61 5 A 1 ATOM 44 N N . SER A 1 6 ? 0.876 -2.912 17.998 1.00 29.93 6 A 1 ATOM 45 C CA . SER A 1 6 ? 1.638 -1.997 18.857 1.00 30.73 6 A 1 ATOM 46 C C . SER A 1 6 ? 2.882 -1.443 18.159 1.00 31.22 6 A 1 ATOM 47 O O . SER A 1 6 ? 3.194 -0.267 18.318 1.00 30.11 6 A 1 ATOM 48 C CB . SER A 1 6 ? 2.063 -2.696 20.161 1.00 29.73 6 A 1 ATOM 49 O OG . SER A 1 6 ? 1.149 -3.689 20.569 1.00 27.25 6 A 1 ATOM 50 N N . HIS A 1 7 ? 3.577 -2.248 17.359 1.00 29.86 7 A 1 ATOM 51 C CA . HIS A 1 7 ? 4.768 -1.809 16.619 1.00 30.94 7 A 1 ATOM 52 C C . HIS A 1 7 ? 4.419 -0.900 15.436 1.00 31.42 7 A 1 ATOM 53 O O . HIS A 1 7 ? 5.138 0.064 15.175 1.00 30.20 7 A 1 ATOM 54 C CB . HIS A 1 7 ? 5.575 -3.032 16.159 1.00 29.66 7 A 1 ATOM 55 C CG . HIS A 1 7 ? 6.372 -3.655 17.278 1.00 27.47 7 A 1 ATOM 56 N ND1 . HIS A 1 7 ? 5.887 -4.460 18.276 1.00 25.12 7 A 1 ATOM 57 C CD2 . HIS A 1 7 ? 7.715 -3.502 17.509 1.00 24.79 7 A 1 ATOM 58 C CE1 . HIS A 1 7 ? 6.903 -4.785 19.092 1.00 23.67 7 A 1 ATOM 59 N NE2 . HIS A 1 7 ? 8.039 -4.225 18.663 1.00 23.86 7 A 1 ATOM 60 N N . LEU A 1 8 ? 3.290 -1.150 14.762 1.00 31.00 8 A 1 ATOM 61 C CA . LEU A 1 8 ? 2.789 -0.277 13.697 1.00 31.33 8 A 1 ATOM 62 C C . LEU A 1 8 ? 2.364 1.089 14.264 1.00 31.76 8 A 1 ATOM 63 O O . LEU A 1 8 ? 2.717 2.123 13.704 1.00 30.82 8 A 1 ATOM 64 C CB . LEU A 1 8 ? 1.630 -0.982 12.962 1.00 30.16 8 A 1 ATOM 65 C CG . LEU A 1 8 ? 1.580 -0.624 11.464 1.00 27.76 8 A 1 ATOM 66 C CD1 . LEU A 1 8 ? 2.538 -1.510 10.665 1.00 25.75 8 A 1 ATOM 67 C CD2 . LEU A 1 8 ? 0.174 -0.823 10.910 1.00 25.66 8 A 1 ATOM 68 N N . MET A 1 9 ? 1.694 1.090 15.413 1.00 26.87 9 A 1 ATOM 69 C CA . MET A 1 9 ? 1.336 2.306 16.158 1.00 27.71 9 A 1 ATOM 70 C C . MET A 1 9 ? 2.579 3.085 16.611 1.00 28.51 9 A 1 ATOM 71 O O . MET A 1 9 ? 2.629 4.297 16.440 1.00 27.58 9 A 1 ATOM 72 C CB . MET A 1 9 ? 0.459 1.930 17.371 1.00 26.91 9 A 1 ATOM 73 C CG . MET A 1 9 ? -1.002 1.648 16.983 1.00 24.34 9 A 1 ATOM 74 S SD . MET A 1 9 ? -2.038 3.130 16.940 1.00 22.53 9 A 1 ATOM 75 C CE . MET A 1 9 ? -3.580 2.428 16.294 1.00 20.65 9 A 1 ATOM 76 N N . LEU A 1 10 ? 3.614 2.415 17.117 1.00 27.29 10 A 1 ATOM 77 C CA . LEU A 1 10 ? 4.858 3.058 17.568 1.00 27.66 10 A 1 ATOM 78 C C . LEU A 1 10 ? 5.650 3.700 16.417 1.00 28.61 10 A 1 ATOM 79 O O . LEU A 1 10 ? 6.192 4.793 16.572 1.00 27.74 10 A 1 ATOM 80 C CB . LEU A 1 10 ? 5.740 2.029 18.314 1.00 26.31 10 A 1 ATOM 81 C CG . LEU A 1 10 ? 6.290 2.565 19.648 1.00 23.68 10 A 1 ATOM 82 C CD1 . LEU A 1 10 ? 5.256 2.386 20.764 1.00 21.83 10 A 1 ATOM 83 C CD2 . LEU A 1 10 ? 7.559 1.826 20.040 1.00 22.25 10 A 1 ATOM 84 N N . ALA A 1 11 ? 5.685 3.053 15.245 1.00 29.03 11 A 1 ATOM 85 C CA . ALA A 1 11 ? 6.347 3.591 14.054 1.00 29.69 11 A 1 ATOM 86 C C . ALA A 1 11 ? 5.640 4.848 13.509 1.00 30.10 11 A 1 ATOM 87 O O . ALA A 1 11 ? 6.285 5.718 12.930 1.00 28.83 11 A 1 ATOM 88 C CB . ALA A 1 11 ? 6.416 2.480 12.997 1.00 28.43 11 A 1 ATOM 89 N N . THR A 1 12 ? 4.333 4.963 13.732 1.00 31.05 12 A 1 ATOM 90 C CA . THR A 1 12 ? 3.544 6.151 13.356 1.00 31.30 12 A 1 ATOM 91 C C . THR A 1 12 ? 3.672 7.274 14.400 1.00 31.37 12 A 1 ATOM 92 O O . THR A 1 12 ? 3.581 8.447 14.052 1.00 29.82 12 A 1 ATOM 93 C CB . THR A 1 12 ? 2.065 5.790 13.118 1.00 29.87 12 A 1 ATOM 94 O OG1 . THR A 1 12 ? 1.879 4.464 12.690 1.00 27.96 12 A 1 ATOM 95 C CG2 . THR A 1 12 ? 1.463 6.642 12.000 1.00 27.63 12 A 1 ATOM 96 N N . TYR A 1 13 ? 3.956 6.937 15.661 1.00 26.70 13 A 1 ATOM 97 C CA . TYR A 1 13 ? 4.084 7.901 16.770 1.00 27.32 13 A 1 ATOM 98 C C . TYR A 1 13 ? 5.375 8.742 16.738 1.00 27.91 13 A 1 ATOM 99 O O . TYR A 1 13 ? 5.424 9.819 17.325 1.00 26.66 13 A 1 ATOM 100 C CB . TYR A 1 13 ? 3.964 7.141 18.105 1.00 25.53 13 A 1 ATOM 101 C CG . TYR A 1 13 ? 3.067 7.824 19.120 1.00 23.62 13 A 1 ATOM 102 C CD1 . TYR A 1 13 ? 3.602 8.722 20.064 1.00 21.78 13 A 1 ATOM 103 C CD2 . TYR A 1 13 ? 1.685 7.549 19.121 1.00 21.29 13 A 1 ATOM 104 C CE1 . TYR A 1 13 ? 2.758 9.342 21.006 1.00 20.52 13 A 1 ATOM 105 C CE2 . TYR A 1 13 ? 0.838 8.166 20.059 1.00 20.65 13 A 1 ATOM 106 C CZ . TYR A 1 13 ? 1.375 9.061 21.006 1.00 20.45 13 A 1 ATOM 107 O OH . TYR A 1 13 ? 0.557 9.652 21.918 1.00 19.41 13 A 1 ATOM 108 N N . GLN A 1 14 ? 6.418 8.286 16.049 1.00 27.74 14 A 1 ATOM 109 C CA . GLN A 1 14 ? 7.662 9.065 15.905 1.00 28.54 14 A 1 ATOM 110 C C . GLN A 1 14 ? 7.556 10.247 14.921 1.00 28.71 14 A 1 ATOM 111 O O . GLN A 1 14 ? 8.454 11.090 14.889 1.00 27.78 14 A 1 ATOM 112 C CB . GLN A 1 14 ? 8.841 8.141 15.553 1.00 27.76 14 A 1 ATOM 113 C CG . GLN A 1 14 ? 9.471 7.538 16.817 1.00 25.68 14 A 1 ATOM 114 C CD . GLN A 1 14 ? 10.767 6.777 16.536 1.00 24.46 14 A 1 ATOM 115 O OE1 . GLN A 1 14 ? 11.040 6.300 15.446 1.00 23.75 14 A 1 ATOM 116 N NE2 . GLN A 1 14 ? 11.625 6.625 17.522 1.00 23.81 14 A 1 ATOM 117 N N . SER A 1 15 ? 6.466 10.352 14.148 1.00 29.55 15 A 1 ATOM 118 C CA . SER A 1 15 ? 6.166 11.565 13.386 1.00 29.95 15 A 1 ATOM 119 C C . SER A 1 15 ? 5.191 12.435 14.190 1.00 30.05 15 A 1 ATOM 120 O O . SER A 1 15 ? 3.999 12.158 14.234 1.00 28.67 15 A 1 ATOM 121 C CB . SER A 1 15 ? 5.665 11.219 11.975 1.00 28.18 15 A 1 ATOM 122 O OG . SER A 1 15 ? 4.490 10.440 11.999 1.00 26.24 15 A 1 ATOM 123 N N . ASN A 1 16 ? 5.701 13.484 14.828 1.00 28.32 16 A 1 ATOM 124 C CA . ASN A 1 16 ? 5.064 14.369 15.820 1.00 29.51 16 A 1 ATOM 125 C C . ASN A 1 16 ? 3.780 15.136 15.388 1.00 29.87 16 A 1 ATOM 126 O O . ASN A 1 16 ? 3.562 16.254 15.853 1.00 28.54 16 A 1 ATOM 127 C CB . ASN A 1 16 ? 6.148 15.360 16.312 1.00 27.91 16 A 1 ATOM 128 C CG . ASN A 1 16 ? 7.091 14.787 17.355 1.00 26.07 16 A 1 ATOM 129 O OD1 . ASN A 1 16 ? 6.774 13.865 18.085 1.00 24.13 16 A 1 ATOM 130 N ND2 . ASN A 1 16 ? 8.272 15.342 17.491 1.00 23.58 16 A 1 ATOM 131 N N . THR A 1 17 ? 2.931 14.619 14.513 1.00 29.67 17 A 1 ATOM 132 C CA . THR A 1 17 ? 1.782 15.371 13.965 1.00 30.21 17 A 1 ATOM 133 C C . THR A 1 17 ? 0.491 14.568 13.752 1.00 30.65 17 A 1 ATOM 134 O O . THR A 1 17 ? -0.414 15.056 13.084 1.00 29.48 17 A 1 ATOM 135 C CB . THR A 1 17 ? 2.170 16.149 12.691 1.00 28.69 17 A 1 ATOM 136 O OG1 . THR A 1 17 ? 3.076 15.424 11.897 1.00 26.49 17 A 1 ATOM 137 C CG2 . THR A 1 17 ? 2.836 17.486 13.018 1.00 25.97 17 A 1 ATOM 138 N N . HIS A 1 18 ? 0.328 13.394 14.339 1.00 29.26 18 A 1 ATOM 139 C CA . HIS A 1 18 ? -0.901 12.616 14.140 1.00 30.17 18 A 1 ATOM 140 C C . HIS A 1 18 ? -1.762 12.550 15.411 1.00 30.16 18 A 1 ATOM 141 O O . HIS A 1 18 ? -1.364 11.965 16.416 1.00 28.90 18 A 1 ATOM 142 C CB . HIS A 1 18 ? -0.553 11.242 13.562 1.00 29.36 18 A 1 ATOM 143 C CG . HIS A 1 18 ? 0.127 11.354 12.214 1.00 27.98 18 A 1 ATOM 144 N ND1 . HIS A 1 18 ? -0.426 11.853 11.058 1.00 25.98 18 A 1 ATOM 145 C CD2 . HIS A 1 18 ? 1.434 11.043 11.929 1.00 25.82 18 A 1 ATOM 146 C CE1 . HIS A 1 18 ? 0.519 11.842 10.101 1.00 24.75 18 A 1 ATOM 147 N NE2 . HIS A 1 18 ? 1.669 11.356 10.585 1.00 24.83 18 A 1 ATOM 148 N N . LYS A 1 19 ? -2.967 13.139 15.360 1.00 27.86 19 A 1 ATOM 149 C CA . LYS A 1 19 ? -4.053 12.835 16.305 1.00 28.12 19 A 1 ATOM 150 C C . LYS A 1 19 ? -4.834 11.639 15.761 1.00 28.45 19 A 1 ATOM 151 O O . LYS A 1 19 ? -5.350 11.707 14.648 1.00 27.68 19 A 1 ATOM 152 C CB . LYS A 1 19 ? -4.982 14.044 16.511 1.00 27.41 19 A 1 ATOM 153 C CG . LYS A 1 19 ? -4.412 15.076 17.500 1.00 25.46 19 A 1 ATOM 154 C CD . LYS A 1 19 ? -5.430 16.202 17.732 1.00 24.32 19 A 1 ATOM 155 C CE . LYS A 1 19 ? -4.922 17.204 18.777 1.00 22.50 19 A 1 ATOM 156 N NZ . LYS A 1 19 ? -5.907 18.291 19.002 1.00 21.49 19 A 1 ATOM 157 N N . PHE A 1 20 ? -4.918 10.583 16.545 1.00 28.12 20 A 1 ATOM 158 C CA . PHE A 1 20 ? -5.700 9.392 16.205 1.00 28.39 20 A 1 ATOM 159 C C . PHE A 1 20 ? -6.998 9.392 17.018 1.00 28.59 20 A 1 ATOM 160 O O . PHE A 1 20 ? -6.948 9.504 18.241 1.00 27.13 20 A 1 ATOM 161 C CB . PHE A 1 20 ? -4.874 8.126 16.478 1.00 26.96 20 A 1 ATOM 162 C CG . PHE A 1 20 ? -3.624 7.996 15.619 1.00 25.23 20 A 1 ATOM 163 C CD1 . PHE A 1 20 ? -3.703 7.411 14.342 1.00 23.29 20 A 1 ATOM 164 C CD2 . PHE A 1 20 ? -2.383 8.470 16.092 1.00 23.22 20 A 1 ATOM 165 C CE1 . PHE A 1 20 ? -2.554 7.302 13.540 1.00 21.92 20 A 1 ATOM 166 C CE2 . PHE A 1 20 ? -1.232 8.365 15.284 1.00 22.18 20 A 1 ATOM 167 C CZ . PHE A 1 20 ? -1.319 7.779 14.010 1.00 21.81 20 A 1 ATOM 168 N N . MET A 1 21 ? -8.141 9.243 16.350 1.00 27.10 21 A 1 ATOM 169 C CA . MET A 1 21 ? -9.397 8.847 16.993 1.00 27.67 21 A 1 ATOM 170 C C . MET A 1 21 ? -9.763 7.454 16.477 1.00 28.11 21 A 1 ATOM 171 O O . MET A 1 21 ? -9.827 7.230 15.269 1.00 27.40 21 A 1 ATOM 172 C CB . MET A 1 21 ? -10.509 9.882 16.761 1.00 26.29 21 A 1 ATOM 173 C CG . MET A 1 21 ? -10.223 11.188 17.519 1.00 23.83 21 A 1 ATOM 174 S SD . MET A 1 21 ? -11.554 12.421 17.490 1.00 22.21 21 A 1 ATOM 175 C CE . MET A 1 21 ? -12.759 11.660 18.615 1.00 20.86 21 A 1 ATOM 176 N N . SER A 1 22 ? -9.915 6.515 17.395 1.00 28.83 22 A 1 ATOM 177 C CA . SER A 1 22 ? -10.385 5.167 17.073 1.00 29.39 22 A 1 ATOM 178 C C . SER A 1 22 ? -11.868 5.069 17.382 1.00 29.63 22 A 1 ATOM 179 O O . SER A 1 22 ? -12.236 5.271 18.537 1.00 28.25 22 A 1 ATOM 180 C CB . SER A 1 22 ? -9.612 4.107 17.869 1.00 27.62 22 A 1 ATOM 181 O OG . SER A 1 22 ? -9.831 4.221 19.262 1.00 25.47 22 A 1 ATOM 182 N N . ASP A 1 23 ? -12.677 4.701 16.405 1.00 28.53 23 A 1 ATOM 183 C CA . ASP A 1 23 ? -14.005 4.169 16.701 1.00 29.43 23 A 1 ATOM 184 C C . ASP A 1 23 ? -14.121 2.728 16.199 1.00 29.64 23 A 1 ATOM 185 O O . ASP A 1 23 ? -13.542 2.344 15.171 1.00 28.66 23 A 1 ATOM 186 C CB . ASP A 1 23 ? -15.131 5.104 16.225 1.00 27.68 23 A 1 ATOM 187 C CG . ASP A 1 23 ? -16.120 5.425 17.356 1.00 25.77 23 A 1 ATOM 188 O OD1 . ASP A 1 23 ? -16.155 4.643 18.330 1.00 23.81 23 A 1 ATOM 189 O OD2 . ASP A 1 23 ? -16.800 6.471 17.242 1.00 23.45 23 A 1 ATOM 190 N N . GLY A 1 24 ? -14.744 1.919 17.031 1.00 31.65 24 A 1 ATOM 191 C CA . GLY A 1 24 ? -14.747 0.476 16.901 1.00 32.73 24 A 1 ATOM 192 C C . GLY A 1 24 ? -15.844 -0.006 15.970 1.00 33.19 24 A 1 ATOM 193 O O . GLY A 1 24 ? -16.986 -0.050 16.383 1.00 31.61 24 A 1 ATOM 194 N N . GLU A 1 25 ? -15.473 -0.401 14.756 1.00 27.27 25 A 1 ATOM 195 C CA . GLU A 1 25 ? -16.037 -1.525 13.989 1.00 28.22 25 A 1 ATOM 196 C C . GLU A 1 25 ? -15.296 -1.665 12.647 1.00 28.57 25 A 1 ATOM 197 O O . GLU A 1 25 ? -14.639 -0.731 12.178 1.00 27.65 25 A 1 ATOM 198 C CB . GLU A 1 25 ? -17.571 -1.428 13.809 1.00 27.34 25 A 1 ATOM 199 C CG . GLU A 1 25 ? -18.256 -2.448 14.749 1.00 25.18 25 A 1 ATOM 200 C CD . GLU A 1 25 ? -19.781 -2.319 14.843 1.00 23.91 25 A 1 ATOM 201 O OE1 . GLU A 1 25 ? -20.347 -3.010 15.724 1.00 21.77 25 A 1 ATOM 202 O OE2 . GLU A 1 25 ? -20.380 -1.590 14.018 1.00 23.60 25 A 1 ATOM 203 N N . MET A 1 26 ? -15.287 -2.854 12.061 1.00 28.91 26 A 1 ATOM 204 C CA . MET A 1 26 ? -14.469 -3.210 10.888 1.00 28.90 26 A 1 ATOM 205 C C . MET A 1 26 ? -14.886 -2.467 9.601 1.00 29.67 26 A 1 ATOM 206 O O . MET A 1 26 ? -15.538 -3.017 8.720 1.00 29.23 26 A 1 ATOM 207 C CB . MET A 1 26 ? -14.470 -4.735 10.682 1.00 27.60 26 A 1 ATOM 208 C CG . MET A 1 26 ? -13.582 -5.478 11.685 1.00 24.75 26 A 1 ATOM 209 S SD . MET A 1 26 ? -13.141 -7.169 11.174 1.00 23.16 26 A 1 ATOM 210 C CE . MET A 1 26 ? -14.729 -8.013 11.409 1.00 21.33 26 A 1 ATOM 211 N N . GLY A 1 27 ? -14.447 -1.225 9.483 1.00 30.82 27 A 1 ATOM 212 C CA . GLY A 1 27 ? -14.631 -0.356 8.324 1.00 31.25 27 A 1 ATOM 213 C C . GLY A 1 27 ? -13.862 0.947 8.528 1.00 32.06 27 A 1 ATOM 214 O O . GLY A 1 27 ? -14.445 2.017 8.587 1.00 30.94 27 A 1 ATOM 215 N N . LYS A 1 28 ? -12.539 0.853 8.748 1.00 30.93 28 A 1 ATOM 216 C CA . LYS A 1 28 ? -11.750 2.022 9.150 1.00 32.00 28 A 1 ATOM 217 C C . LYS A 1 28 ? -11.447 2.915 7.948 1.00 32.13 28 A 1 ATOM 218 O O . LYS A 1 28 ? -10.655 2.561 7.078 1.00 31.34 28 A 1 ATOM 219 C CB . LYS A 1 28 ? -10.491 1.612 9.924 1.00 32.04 28 A 1 ATOM 220 C CG . LYS A 1 28 ? -10.866 1.000 11.282 1.00 30.16 28 A 1 ATOM 221 C CD . LYS A 1 28 ? -9.633 0.709 12.145 1.00 28.64 28 A 1 ATOM 222 C CE . LYS A 1 28 ? -10.111 0.110 13.471 1.00 27.19 28 A 1 ATOM 223 N NZ . LYS A 1 28 ? -8.997 -0.141 14.412 1.00 25.64 28 A 1 ATOM 224 N N . ILE A 1 29 ? -12.071 4.086 7.958 1.00 31.83 29 A 1 ATOM 225 C CA . ILE A 1 29 ? -11.699 5.250 7.158 1.00 31.82 29 A 1 ATOM 226 C C . ILE A 1 29 ? -10.502 5.906 7.859 1.00 32.15 29 A 1 ATOM 227 O O . ILE A 1 29 ? -10.574 6.236 9.041 1.00 31.34 29 A 1 ATOM 228 C CB . ILE A 1 29 ? -12.921 6.193 7.023 1.00 30.56 29 A 1 ATOM 229 C CG1 . ILE A 1 29 ? -14.075 5.482 6.270 1.00 28.58 29 A 1 ATOM 230 C CG2 . ILE A 1 29 ? -12.528 7.489 6.314 1.00 28.62 29 A 1 ATOM 231 C CD1 . ILE A 1 29 ? -15.391 6.273 6.237 1.00 27.13 29 A 1 ATOM 232 N N . TYR A 1 30 ? -9.385 6.062 7.153 1.00 33.87 30 A 1 ATOM 233 C CA . TYR A 1 30 ? -8.201 6.738 7.682 1.00 35.01 30 A 1 ATOM 234 C C . TYR A 1 30 ? -8.085 8.125 7.048 1.00 35.24 30 A 1 ATOM 235 O O . TYR A 1 30 ? -7.956 8.249 5.830 1.00 34.22 30 A 1 ATOM 236 C CB . TYR A 1 30 ? -6.941 5.899 7.439 1.00 34.21 30 A 1 ATOM 237 C CG . TYR A 1 30 ? -6.941 4.549 8.144 1.00 32.31 30 A 1 ATOM 238 C CD1 . TYR A 1 30 ? -6.468 4.435 9.468 1.00 29.91 30 A 1 ATOM 239 C CD2 . TYR A 1 30 ? -7.413 3.403 7.472 1.00 30.03 30 A 1 ATOM 240 C CE1 . TYR A 1 30 ? -6.461 3.181 10.114 1.00 28.04 30 A 1 ATOM 241 C CE2 . TYR A 1 30 ? -7.411 2.150 8.117 1.00 28.05 30 A 1 ATOM 242 C CZ . TYR A 1 30 ? -6.931 2.037 9.436 1.00 27.41 30 A 1 ATOM 243 O OH . TYR A 1 30 ? -6.923 0.821 10.055 1.00 27.01 30 A 1 ATOM 244 N N . GLU A 1 31 ? -8.099 9.157 7.884 1.00 33.24 31 A 1 ATOM 245 C CA . GLU A 1 31 ? -7.801 10.525 7.473 1.00 33.92 31 A 1 ATOM 246 C C . GLU A 1 31 ? -6.294 10.754 7.647 1.00 34.01 31 A 1 ATOM 247 O O . GLU A 1 31 ? -5.775 10.781 8.763 1.00 32.94 31 A 1 ATOM 248 C CB . GLU A 1 31 ? -8.683 11.494 8.279 1.00 33.41 31 A 1 ATOM 249 C CG . GLU A 1 31 ? -8.780 12.870 7.609 1.00 30.74 31 A 1 ATOM 250 C CD . GLU A 1 31 ? -9.729 13.835 8.340 1.00 28.85 31 A 1 ATOM 251 O OE1 . GLU A 1 31 ? -9.974 14.923 7.774 1.00 27.26 31 A 1 ATOM 252 O OE2 . GLU A 1 31 ? -10.175 13.510 9.457 1.00 27.31 31 A 1 ATOM 253 N N . VAL A 1 32 ? -5.567 10.845 6.540 1.00 35.79 32 A 1 ATOM 254 C CA . VAL A 1 32 ? -4.108 11.029 6.556 1.00 36.22 32 A 1 ATOM 255 C C . VAL A 1 32 ? -3.773 12.443 6.100 1.00 36.02 32 A 1 ATOM 256 O O . VAL A 1 32 ? -3.900 12.787 4.924 1.00 34.81 32 A 1 ATOM 257 C CB . VAL A 1 32 ? -3.377 9.961 5.717 1.00 35.00 32 A 1 ATOM 258 C CG1 . VAL A 1 32 ? -1.850 10.132 5.813 1.00 32.97 32 A 1 ATOM 259 C CG2 . VAL A 1 32 ? -3.715 8.538 6.186 1.00 32.49 32 A 1 ATOM 260 N N . THR A 1 33 ? -3.291 13.260 7.033 1.00 34.39 33 A 1 ATOM 261 C CA . THR A 1 33 ? -2.726 14.574 6.699 1.00 34.61 33 A 1 ATOM 262 C C . THR A 1 33 ? -1.282 14.388 6.230 1.00 34.79 33 A 1 ATOM 263 O O . THR A 1 33 ? -0.415 13.953 6.986 1.00 33.30 33 A 1 ATOM 264 C CB . THR A 1 33 ? -2.815 15.552 7.885 1.00 32.89 33 A 1 ATOM 265 O OG1 . THR A 1 33 ? -4.052 15.424 8.545 1.00 30.19 33 A 1 ATOM 266 C CG2 . THR A 1 33 ? -2.715 17.007 7.422 1.00 29.64 33 A 1 ATOM 267 N N . HIS A 1 34 ? -1.017 14.684 4.960 1.00 33.44 34 A 1 ATOM 268 C CA . HIS A 1 34 ? 0.302 14.470 4.356 1.00 34.22 34 A 1 ATOM 269 C C . HIS A 1 34 ? 1.368 15.425 4.915 1.00 34.34 34 A 1 ATOM 270 O O . HIS A 1 34 ? 1.437 16.594 4.534 1.00 33.18 34 A 1 ATOM 271 C CB . HIS A 1 34 ? 0.206 14.613 2.829 1.00 32.95 34 A 1 ATOM 272 C CG . HIS A 1 34 ? -0.278 13.372 2.123 1.00 31.36 34 A 1 ATOM 273 N ND1 . HIS A 1 34 ? 0.523 12.333 1.685 1.00 29.09 34 A 1 ATOM 274 C CD2 . HIS A 1 34 ? -1.561 13.082 1.757 1.00 29.18 34 A 1 ATOM 275 C CE1 . HIS A 1 34 ? -0.266 11.441 1.067 1.00 27.49 34 A 1 ATOM 276 N NE2 . HIS A 1 34 ? -1.543 11.855 1.086 1.00 27.46 34 A 1 ATOM 277 N N . ALA A 1 35 ? 2.286 14.903 5.717 1.00 34.41 35 A 1 ATOM 278 C CA . ALA A 1 35 ? 3.589 15.525 5.941 1.00 34.39 35 A 1 ATOM 279 C C . ALA A 1 35 ? 4.705 14.517 5.609 1.00 34.70 35 A 1 ATOM 280 O O . ALA A 1 35 ? 4.908 13.524 6.295 1.00 33.16 35 A 1 ATOM 281 C CB . ALA A 1 35 ? 3.661 16.097 7.361 1.00 32.06 35 A 1 ATOM 282 N N . HIS A 1 36 ? 5.409 14.802 4.518 1.00 31.53 36 A 1 ATOM 283 C CA . HIS A 1 36 ? 6.745 14.278 4.202 1.00 32.36 36 A 1 ATOM 284 C C . HIS A 1 36 ? 6.914 12.750 3.989 1.00 32.98 36 A 1 ATOM 285 O O . HIS A 1 36 ? 7.572 12.045 4.753 1.00 31.38 36 A 1 ATOM 286 C CB . HIS A 1 36 ? 7.755 14.912 5.175 1.00 30.80 36 A 1 ATOM 287 C CG . HIS A 1 36 ? 8.939 15.502 4.453 1.00 28.88 36 A 1 ATOM 288 N ND1 . HIS A 1 36 ? 10.123 14.880 4.181 1.00 26.88 36 A 1 ATOM 289 C CD2 . HIS A 1 36 ? 9.026 16.769 3.939 1.00 26.61 36 A 1 ATOM 290 C CE1 . HIS A 1 36 ? 10.910 15.752 3.522 1.00 25.08 36 A 1 ATOM 291 N NE2 . HIS A 1 36 ? 10.277 16.920 3.352 1.00 25.00 36 A 1 ATOM 292 N N . VAL A 1 37 ? 6.440 12.239 2.847 1.00 34.49 37 A 1 ATOM 293 C CA . VAL A 1 37 ? 6.646 10.841 2.380 1.00 34.65 37 A 1 ATOM 294 C C . VAL A 1 37 ? 7.976 10.670 1.613 1.00 34.77 37 A 1 ATOM 295 O O . VAL A 1 37 ? 8.018 10.101 0.525 1.00 33.82 37 A 1 ATOM 296 C CB . VAL A 1 37 ? 5.420 10.320 1.574 1.00 33.36 37 A 1 ATOM 297 C CG1 . VAL A 1 37 ? 5.434 8.789 1.395 1.00 31.37 37 A 1 ATOM 298 C CG2 . VAL A 1 37 ? 4.086 10.659 2.248 1.00 31.15 37 A 1 ATOM 299 N N . SER A 1 38 ? 9.092 11.174 2.115 1.00 33.06 38 A 1 ATOM 300 C CA . SER A 1 38 ? 10.384 10.988 1.423 1.00 33.48 38 A 1 ATOM 301 C C . SER A 1 38 ? 11.247 9.855 1.992 1.00 34.23 38 A 1 ATOM 302 O O . SER A 1 38 ? 12.018 9.250 1.247 1.00 32.39 38 A 1 ATOM 303 C CB . SER A 1 38 ? 11.161 12.312 1.339 1.00 30.74 38 A 1 ATOM 304 O OG . SER A 1 38 ? 11.525 12.747 2.629 1.00 28.00 38 A 1 ATOM 305 N N . TYR A 1 39 ? 11.070 9.504 3.263 1.00 34.02 39 A 1 ATOM 306 C CA . TYR A 1 39 ? 11.884 8.465 3.915 1.00 35.07 39 A 1 ATOM 307 C C . TYR A 1 39 ? 11.342 7.038 3.759 1.00 35.82 39 A 1 ATOM 308 O O . TYR A 1 39 ? 12.121 6.085 3.686 1.00 34.36 39 A 1 ATOM 309 C CB . TYR A 1 39 ? 12.116 8.843 5.390 1.00 33.18 39 A 1 ATOM 310 C CG . TYR A 1 39 ? 13.503 9.426 5.607 1.00 31.00 39 A 1 ATOM 311 C CD1 . TYR A 1 39 ? 14.559 8.578 5.996 1.00 28.64 39 A 1 ATOM 312 C CD2 . TYR A 1 39 ? 13.746 10.795 5.398 1.00 28.92 39 A 1 ATOM 313 C CE1 . TYR A 1 39 ? 15.855 9.098 6.178 1.00 27.06 39 A 1 ATOM 314 C CE2 . TYR A 1 39 ? 15.043 11.320 5.574 1.00 27.20 39 A 1 ATOM 315 C CZ . TYR A 1 39 ? 16.098 10.471 5.968 1.00 26.69 39 A 1 ATOM 316 O OH . TYR A 1 39 ? 17.349 10.974 6.150 1.00 25.88 39 A 1 ATOM 317 N N . SER A 1 40 ? 10.026 6.873 3.627 1.00 38.49 40 A 1 ATOM 318 C CA . SER A 1 40 ? 9.394 5.543 3.557 1.00 39.76 40 A 1 ATOM 319 C C . SER A 1 40 ? 9.621 4.843 2.217 1.00 40.47 40 A 1 ATOM 320 O O . SER A 1 40 ? 9.770 3.622 2.177 1.00 39.11 40 A 1 ATOM 321 C CB . SER A 1 40 ? 7.892 5.661 3.847 1.00 37.78 40 A 1 ATOM 322 O OG . SER A 1 40 ? 7.662 6.572 4.897 1.00 34.81 40 A 1 ATOM 323 N N . ARG A 1 41 ? 9.700 5.590 1.115 1.00 37.82 41 A 1 ATOM 324 C CA . ARG A 1 41 ? 9.788 5.021 -0.246 1.00 38.25 41 A 1 ATOM 325 C C . ARG A 1 41 ? 11.021 4.137 -0.451 1.00 38.98 41 A 1 ATOM 326 O O . ARG A 1 41 ? 10.894 3.031 -0.971 1.00 38.12 41 A 1 ATOM 327 C CB . ARG A 1 41 ? 9.728 6.170 -1.271 1.00 36.63 41 A 1 ATOM 328 C CG . ARG A 1 41 ? 9.621 5.664 -2.720 1.00 33.61 41 A 1 ATOM 329 C CD . ARG A 1 41 ? 9.550 6.836 -3.709 1.00 31.82 41 A 1 ATOM 330 N NE . ARG A 1 41 ? 9.435 6.368 -5.104 1.00 30.17 41 A 1 ATOM 331 C CZ . ARG A 1 41 ? 9.642 7.084 -6.200 1.00 28.35 41 A 1 ATOM 332 N NH1 . ARG A 1 41 ? 10.009 8.334 -6.153 1.00 27.67 41 A 1 ATOM 333 N NH2 . ARG A 1 41 ? 9.482 6.547 -7.376 1.00 26.92 41 A 1 ATOM 334 N N . LYS A 1 42 ? 12.198 4.588 -0.030 1.00 40.09 42 A 1 ATOM 335 C CA . LYS A 1 42 ? 13.448 3.823 -0.218 1.00 40.58 42 A 1 ATOM 336 C C . LYS A 1 42 ? 13.490 2.552 0.632 1.00 40.42 42 A 1 ATOM 337 O O . LYS A 1 42 ? 14.028 1.548 0.186 1.00 39.14 42 A 1 ATOM 338 C CB . LYS A 1 42 ? 14.679 4.700 0.065 1.00 39.60 42 A 1 ATOM 339 C CG . LYS A 1 42 ? 14.932 5.744 -1.032 1.00 36.56 42 A 1 ATOM 340 C CD . LYS A 1 42 ? 16.240 6.511 -0.775 1.00 34.93 42 A 1 ATOM 341 C CE . LYS A 1 42 ? 16.502 7.548 -1.871 1.00 32.80 42 A 1 ATOM 342 N NZ . LYS A 1 42 ? 17.773 8.295 -1.648 1.00 30.41 42 A 1 ATOM 343 N N . ARG A 1 43 ? 12.918 2.595 1.820 1.00 42.35 43 A 1 ATOM 344 C CA . ARG A 1 43 ? 12.860 1.447 2.735 1.00 43.23 43 A 1 ATOM 345 C C . ARG A 1 43 ? 11.862 0.390 2.256 1.00 42.81 43 A 1 ATOM 346 O O . ARG A 1 43 ? 12.224 -0.779 2.173 1.00 42.09 43 A 1 ATOM 347 C CB . ARG A 1 43 ? 12.566 1.963 4.151 1.00 42.42 43 A 1 ATOM 348 C CG . ARG A 1 43 ? 12.812 0.883 5.208 1.00 38.14 43 A 1 ATOM 349 C CD . ARG A 1 43 ? 12.662 1.477 6.611 1.00 36.85 43 A 1 ATOM 350 N NE . ARG A 1 43 ? 12.932 0.469 7.646 1.00 34.95 43 A 1 ATOM 351 C CZ . ARG A 1 43 ? 13.102 0.697 8.938 1.00 33.43 43 A 1 ATOM 352 N NH1 . ARG A 1 43 ? 13.030 1.898 9.445 1.00 32.56 43 A 1 ATOM 353 N NH2 . ARG A 1 43 ? 13.343 -0.296 9.745 1.00 31.55 43 A 1 ATOM 354 N N . LEU A 1 44 ? 10.677 0.811 1.827 1.00 36.18 44 A 1 ATOM 355 C CA . LEU A 1 44 ? 9.626 -0.079 1.319 1.00 36.54 44 A 1 ATOM 356 C C . LEU A 1 44 ? 10.016 -0.757 -0.006 1.00 36.27 44 A 1 ATOM 357 O O . LEU A 1 44 ? 9.777 -1.948 -0.178 1.00 34.78 44 A 1 ATOM 358 C CB . LEU A 1 44 ? 8.331 0.735 1.175 1.00 35.14 44 A 1 ATOM 359 C CG . LEU A 1 44 ? 7.716 1.186 2.514 1.00 33.13 44 A 1 ATOM 360 C CD1 . LEU A 1 44 ? 6.632 2.236 2.269 1.00 30.76 44 A 1 ATOM 361 C CD2 . LEU A 1 44 ? 7.102 0.026 3.294 1.00 31.11 44 A 1 ATOM 362 N N . ILE A 1 45 ? 10.691 -0.041 -0.916 1.00 36.09 45 A 1 ATOM 363 C CA . ILE A 1 45 ? 11.249 -0.634 -2.148 1.00 36.18 45 A 1 ATOM 364 C C . ILE A 1 45 ? 12.323 -1.679 -1.814 1.00 35.99 45 A 1 ATOM 365 O O . ILE A 1 45 ? 12.364 -2.738 -2.436 1.00 34.96 45 A 1 ATOM 366 C CB . ILE A 1 45 ? 11.793 0.471 -3.084 1.00 35.03 45 A 1 ATOM 367 C CG1 . ILE A 1 45 ? 10.624 1.317 -3.648 1.00 32.57 45 A 1 ATOM 368 C CG2 . ILE A 1 45 ? 12.615 -0.116 -4.253 1.00 32.32 45 A 1 ATOM 369 C CD1 . ILE A 1 45 ? 11.068 2.606 -4.355 1.00 30.99 45 A 1 ATOM 370 N N . LYS A 1 46 ? 13.169 -1.417 -0.813 1.00 35.11 46 A 1 ATOM 371 C CA . LYS A 1 46 ? 14.215 -2.355 -0.370 1.00 35.52 46 A 1 ATOM 372 C C . LYS A 1 46 ? 13.642 -3.638 0.251 1.00 35.42 46 A 1 ATOM 373 O O . LYS A 1 46 ? 14.292 -4.677 0.200 1.00 34.34 46 A 1 ATOM 374 C CB . LYS A 1 46 ? 15.161 -1.616 0.587 1.00 34.63 46 A 1 ATOM 375 C CG . LYS A 1 46 ? 16.488 -2.358 0.787 1.00 32.22 46 A 1 ATOM 376 C CD . LYS A 1 46 ? 17.431 -1.566 1.699 1.00 30.57 46 A 1 ATOM 377 C CE . LYS A 1 46 ? 18.759 -2.321 1.823 1.00 28.66 46 A 1 ATOM 378 N NZ . LYS A 1 46 ? 19.697 -1.658 2.762 1.00 27.14 46 A 1 ATOM 379 N N . GLU A 1 47 ? 12.434 -3.557 0.800 1.00 33.93 47 A 1 ATOM 380 C CA . GLU A 1 47 ? 11.673 -4.682 1.359 1.00 34.10 47 A 1 ATOM 381 C C . GLU A 1 47 ? 10.789 -5.399 0.309 1.00 33.68 47 A 1 ATOM 382 O O . GLU A 1 47 ? 10.034 -6.303 0.648 1.00 33.07 47 A 1 ATOM 383 C CB . GLU A 1 47 ? 10.884 -4.177 2.585 1.00 33.24 47 A 1 ATOM 384 C CG . GLU A 1 47 ? 11.818 -3.825 3.770 1.00 31.02 47 A 1 ATOM 385 C CD . GLU A 1 47 ? 11.124 -3.102 4.943 1.00 29.18 47 A 1 ATOM 386 O OE1 . GLU A 1 47 ? 11.861 -2.576 5.823 1.00 27.68 47 A 1 ATOM 387 O OE2 . GLU A 1 47 ? 9.882 -3.026 4.960 1.00 28.40 47 A 1 ATOM 388 N N . GLY A 1 48 ? 10.892 -5.025 -0.979 1.00 37.26 48 A 1 ATOM 389 C CA . GLY A 1 48 ? 10.182 -5.690 -2.083 1.00 36.84 48 A 1 ATOM 390 C C . GLY A 1 48 ? 8.736 -5.228 -2.298 1.00 37.22 48 A 1 ATOM 391 O O . GLY A 1 48 ? 7.982 -5.865 -3.037 1.00 35.46 48 A 1 ATOM 392 N N . HIS A 1 49 ? 8.330 -4.117 -1.681 1.00 33.73 49 A 1 ATOM 393 C CA . HIS A 1 49 ? 6.995 -3.550 -1.851 1.00 34.52 49 A 1 ATOM 394 C C . HIS A 1 49 ? 6.950 -2.571 -3.033 1.00 34.85 49 A 1 ATOM 395 O O . HIS A 1 49 ? 7.768 -1.658 -3.147 1.00 34.29 49 A 1 ATOM 396 C CB . HIS A 1 49 ? 6.544 -2.894 -0.545 1.00 33.16 49 A 1 ATOM 397 C CG . HIS A 1 49 ? 6.494 -3.846 0.629 1.00 31.49 49 A 1 ATOM 398 N ND1 . HIS A 1 49 ? 5.625 -4.901 0.792 1.00 29.26 49 A 1 ATOM 399 C CD2 . HIS A 1 49 ? 7.312 -3.833 1.724 1.00 29.11 49 A 1 ATOM 400 C CE1 . HIS A 1 49 ? 5.914 -5.509 1.955 1.00 27.27 49 A 1 ATOM 401 N NE2 . HIS A 1 49 ? 6.935 -4.887 2.562 1.00 27.44 49 A 1 ATOM 402 N N . SER A 1 50 ? 5.955 -2.728 -3.920 1.00 33.43 50 A 1 ATOM 403 C CA . SER A 1 50 ? 5.716 -1.817 -5.047 1.00 33.75 50 A 1 ATOM 404 C C . SER A 1 50 ? 4.569 -0.858 -4.715 1.00 34.12 50 A 1 ATOM 405 O O . SER A 1 50 ? 3.452 -1.301 -4.458 1.00 33.16 50 A 1 ATOM 406 C CB . SER A 1 50 ? 5.399 -2.595 -6.326 1.00 31.89 50 A 1 ATOM 407 O OG . SER A 1 50 ? 6.466 -3.460 -6.656 1.00 29.36 50 A 1 ATOM 408 N N . PHE A 1 51 ? 4.833 0.451 -4.757 1.00 34.51 51 A 1 ATOM 409 C CA . PHE A 1 51 ? 3.828 1.502 -4.571 1.00 34.69 51 A 1 ATOM 410 C C . PHE A 1 51 ? 3.835 2.442 -5.776 1.00 34.52 51 A 1 ATOM 411 O O . PHE A 1 51 ? 4.896 2.913 -6.195 1.00 33.18 51 A 1 ATOM 412 C CB . PHE A 1 51 ? 4.087 2.275 -3.271 1.00 33.44 51 A 1 ATOM 413 C CG . PHE A 1 51 ? 3.972 1.433 -2.011 1.00 31.90 51 A 1 ATOM 414 C CD1 . PHE A 1 51 ? 2.725 1.263 -1.381 1.00 30.16 51 A 1 ATOM 415 C CD2 . PHE A 1 51 ? 5.109 0.799 -1.485 1.00 30.38 51 A 1 ATOM 416 C CE1 . PHE A 1 51 ? 2.614 0.460 -0.232 1.00 28.55 51 A 1 ATOM 417 C CE2 . PHE A 1 51 ? 4.996 -0.007 -0.340 1.00 28.72 51 A 1 ATOM 418 C CZ . PHE A 1 51 ? 3.750 -0.178 0.288 1.00 28.19 51 A 1 ATOM 419 N N . ALA A 1 52 ? 2.647 2.746 -6.317 1.00 33.76 52 A 1 ATOM 420 C CA . ALA A 1 52 ? 2.467 3.774 -7.337 1.00 33.65 52 A 1 ATOM 421 C C . ALA A 1 52 ? 2.001 5.073 -6.658 1.00 34.02 52 A 1 ATOM 422 O O . ALA A 1 52 ? 0.955 5.100 -6.018 1.00 32.72 52 A 1 ATOM 423 C CB . ALA A 1 52 ? 1.490 3.264 -8.405 1.00 31.54 52 A 1 ATOM 424 N N . PHE A 1 53 ? 2.786 6.139 -6.775 1.00 33.46 53 A 1 ATOM 425 C CA . PHE A 1 53 ? 2.411 7.475 -6.304 1.00 33.48 53 A 1 ATOM 426 C C . PHE A 1 53 ? 2.191 8.381 -7.508 1.00 33.67 53 A 1 ATOM 427 O O . PHE A 1 53 ? 3.070 8.486 -8.365 1.00 32.47 53 A 1 ATOM 428 C CB . PHE A 1 53 ? 3.489 8.049 -5.375 1.00 31.99 53 A 1 ATOM 429 C CG . PHE A 1 53 ? 3.596 7.349 -4.032 1.00 30.30 53 A 1 ATOM 430 C CD1 . PHE A 1 53 ? 2.750 7.718 -2.971 1.00 28.64 53 A 1 ATOM 431 C CD2 . PHE A 1 53 ? 4.541 6.322 -3.843 1.00 28.87 53 A 1 ATOM 432 C CE1 . PHE A 1 53 ? 2.850 7.068 -1.726 1.00 27.05 53 A 1 ATOM 433 C CE2 . PHE A 1 53 ? 4.637 5.671 -2.600 1.00 27.09 53 A 1 ATOM 434 C CZ . PHE A 1 53 ? 3.793 6.046 -1.540 1.00 27.04 53 A 1 ATOM 435 N N . ASN A 1 54 ? 1.047 9.073 -7.552 1.00 31.85 54 A 1 ATOM 436 C CA . ASN A 1 54 ? 0.802 10.126 -8.532 1.00 32.37 54 A 1 ATOM 437 C C . ASN A 1 54 ? 1.023 11.487 -7.852 1.00 32.51 54 A 1 ATOM 438 O O . ASN A 1 54 ? 0.299 11.857 -6.930 1.00 31.13 54 A 1 ATOM 439 C CB . ASN A 1 54 ? -0.591 9.934 -9.166 1.00 30.91 54 A 1 ATOM 440 C CG . ASN A 1 54 ? -0.691 10.582 -10.538 1.00 29.14 54 A 1 ATOM 441 O OD1 . ASN A 1 54 ? 0.174 11.323 -10.963 1.00 27.37 54 A 1 ATOM 442 N ND2 . ASN A 1 54 ? -1.728 10.299 -11.284 1.00 27.14 54 A 1 ATOM 443 N N . THR A 1 55 ? 2.076 12.188 -8.243 1.00 31.74 55 A 1 ATOM 444 C CA . THR A 1 55 ? 2.496 13.460 -7.648 1.00 32.04 55 A 1 ATOM 445 C C . THR A 1 55 ? 1.886 14.635 -8.403 1.00 32.09 55 A 1 ATOM 446 O O . THR A 1 55 ? 2.454 15.088 -9.392 1.00 30.51 55 A 1 ATOM 447 C CB . THR A 1 55 ? 4.030 13.597 -7.641 1.00 30.15 55 A 1 ATOM 448 O OG1 . THR A 1 55 ? 4.560 13.261 -8.902 1.00 28.29 55 A 1 ATOM 449 C CG2 . THR A 1 55 ? 4.692 12.691 -6.604 1.00 27.58 55 A 1 ATOM 450 N N . SER A 1 56 ? 0.775 15.166 -7.906 1.00 33.96 56 A 1 ATOM 451 C CA . SER A 1 56 ? 0.344 16.521 -8.272 1.00 34.61 56 A 1 ATOM 452 C C . SER A 1 56 ? -0.456 17.151 -7.131 1.00 34.62 56 A 1 ATOM 453 O O . SER A 1 56 ? -1.679 17.172 -7.156 1.00 32.51 56 A 1 ATOM 454 C CB . SER A 1 56 ? -0.430 16.534 -9.598 1.00 32.63 56 A 1 ATOM 455 O OG . SER A 1 56 ? -1.582 15.728 -9.540 1.00 29.94 56 A 1 ATOM 456 N N . VAL A 1 57 ? 0.242 17.668 -6.111 1.00 33.59 57 A 1 ATOM 457 C CA . VAL A 1 57 ? -0.373 18.536 -5.098 1.00 34.07 57 A 1 ATOM 458 C C . VAL A 1 57 ? 0.527 19.752 -4.884 1.00 34.32 57 A 1 ATOM 459 O O . VAL A 1 57 ? 1.652 19.643 -4.403 1.00 33.05 57 A 1 ATOM 460 C CB . VAL A 1 57 ? -0.688 17.798 -3.777 1.00 32.67 57 A 1 ATOM 461 C CG1 . VAL A 1 57 ? -1.465 18.720 -2.827 1.00 30.31 57 A 1 ATOM 462 C CG2 . VAL A 1 57 ? -1.551 16.549 -4.004 1.00 30.51 57 A 1 ATOM 463 N N . THR A 1 58 ? 0.037 20.917 -5.289 1.00 32.81 58 A 1 ATOM 464 C CA . THR A 1 58 ? 0.648 22.224 -5.024 1.00 33.64 58 A 1 ATOM 465 C C . THR A 1 58 ? 0.471 22.611 -3.553 1.00 34.04 58 A 1 ATOM 466 O O . THR A 1 58 ? -0.568 22.367 -2.953 1.00 31.89 58 A 1 ATOM 467 C CB . THR A 1 58 ? 0.067 23.306 -5.955 1.00 31.43 58 A 1 ATOM 468 O OG1 . THR A 1 58 ? -1.282 23.043 -6.254 1.00 29.00 58 A 1 ATOM 469 C CG2 . THR A 1 58 ? 0.812 23.339 -7.291 1.00 28.84 58 A 1 ATOM 470 N N . LYS A 1 59 ? 1.500 23.221 -2.964 1.00 35.69 59 A 1 ATOM 471 C CA . LYS A 1 59 ? 1.728 23.416 -1.518 1.00 37.06 59 A 1 ATOM 472 C C . LYS A 1 59 ? 0.674 24.223 -0.730 1.00 37.03 59 A 1 ATOM 473 O O . LYS A 1 59 ? 0.840 24.355 0.480 1.00 35.28 59 A 1 ATOM 474 C CB . LYS A 1 59 ? 3.113 24.070 -1.328 1.00 35.62 59 A 1 ATOM 475 C CG . LYS A 1 59 ? 4.291 23.103 -1.536 1.00 33.42 59 A 1 ATOM 476 C CD . LYS A 1 59 ? 5.623 23.839 -1.331 1.00 31.90 59 A 1 ATOM 477 C CE . LYS A 1 59 ? 6.815 22.881 -1.402 1.00 29.81 59 A 1 ATOM 478 N NZ . LYS A 1 59 ? 8.105 23.596 -1.240 1.00 27.60 59 A 1 ATOM 479 N N . SER A 1 60 ? -0.357 24.789 -1.352 1.00 40.15 60 A 1 ATOM 480 C CA . SER A 1 60 ? -1.249 25.757 -0.689 1.00 41.12 60 A 1 ATOM 481 C C . SER A 1 60 ? -2.638 25.240 -0.300 1.00 41.81 60 A 1 ATOM 482 O O . SER A 1 60 ? -3.308 25.902 0.475 1.00 39.10 60 A 1 ATOM 483 C CB . SER A 1 60 ? -1.365 27.028 -1.534 1.00 37.73 60 A 1 ATOM 484 O OG . SER A 1 60 ? -1.767 26.702 -2.848 1.00 34.22 60 A 1 ATOM 485 N N . ASN A 1 61 ? -3.060 24.080 -0.774 1.00 43.18 61 A 1 ATOM 486 C CA . ASN A 1 61 ? -4.299 23.429 -0.341 1.00 45.02 61 A 1 ATOM 487 C C . ASN A 1 61 ? -4.041 21.923 -0.277 1.00 46.16 61 A 1 ATOM 488 O O . ASN A 1 61 ? -4.006 21.259 -1.315 1.00 44.70 61 A 1 ATOM 489 C CB . ASN A 1 61 ? -5.447 23.780 -1.313 1.00 42.43 61 A 1 ATOM 490 C CG . ASN A 1 61 ? -6.203 25.043 -0.928 1.00 38.99 61 A 1 ATOM 491 O OD1 . ASN A 1 61 ? -6.345 25.391 0.228 1.00 36.94 61 A 1 ATOM 492 N ND2 . ASN A 1 61 ? -6.765 25.745 -1.881 1.00 36.12 61 A 1 ATOM 493 N N . MET A 1 62 ? -3.793 21.403 0.915 1.00 42.55 62 A 1 ATOM 494 C CA . MET A 1 62 ? -3.680 19.955 1.103 1.00 44.01 62 A 1 ATOM 495 C C . MET A 1 62 ? -5.090 19.353 1.063 1.00 44.73 62 A 1 ATOM 496 O O . MET A 1 62 ? -5.858 19.582 2.003 1.00 43.52 62 A 1 ATOM 497 C CB . MET A 1 62 ? -2.971 19.615 2.423 1.00 42.37 62 A 1 ATOM 498 C CG . MET A 1 62 ? -1.464 19.882 2.349 1.00 38.33 62 A 1 ATOM 499 S SD . MET A 1 62 ? -0.550 19.281 3.798 1.00 36.26 62 A 1 ATOM 500 C CE . MET A 1 62 ? 1.147 19.484 3.198 1.00 34.36 62 A 1 ATOM 501 N N . PRO A 1 63 ? -5.475 18.621 0.008 1.00 45.43 63 A 1 ATOM 502 C CA . PRO A 1 63 ? -6.743 17.919 0.015 1.00 46.38 63 A 1 ATOM 503 C C . PRO A 1 63 ? -6.672 16.814 1.071 1.00 47.13 63 A 1 ATOM 504 O O . PRO A 1 63 ? -5.735 16.010 1.083 1.00 46.10 63 A 1 ATOM 505 C CB . PRO A 1 63 ? -6.931 17.388 -1.409 1.00 44.48 63 A 1 ATOM 506 C CG . PRO A 1 63 ? -5.502 17.224 -1.921 1.00 42.56 63 A 1 ATOM 507 C CD . PRO A 1 63 ? -4.727 18.324 -1.200 1.00 43.92 63 A 1 ATOM 508 N N . VAL A 1 64 ? -7.676 16.775 1.945 1.00 46.70 64 A 1 ATOM 509 C CA . VAL A 1 64 ? -7.911 15.619 2.812 1.00 47.46 64 A 1 ATOM 510 C C . VAL A 1 64 ? -8.209 14.431 1.899 1.00 48.26 64 A 1 ATOM 511 O O . VAL A 1 64 ? -9.174 14.464 1.128 1.00 47.20 64 A 1 ATOM 512 C CB . VAL A 1 64 ? -9.066 15.884 3.796 1.00 45.22 64 A 1 ATOM 513 C CG1 . VAL A 1 64 ? -9.342 14.659 4.675 1.00 41.23 64 A 1 ATOM 514 C CG2 . VAL A 1 64 ? -8.748 17.079 4.710 1.00 40.50 64 A 1 ATOM 515 N N . GLN A 1 65 ? -7.342 13.429 1.940 1.00 47.85 65 A 1 ATOM 516 C CA . GLN A 1 65 ? -7.514 12.193 1.186 1.00 49.69 65 A 1 ATOM 517 C C . GLN A 1 65 ? -8.034 11.122 2.135 1.00 50.31 65 A 1 ATOM 518 O O . GLN A 1 65 ? -7.396 10.791 3.136 1.00 49.45 65 A 1 ATOM 519 C CB . GLN A 1 65 ? -6.216 11.772 0.489 1.00 48.26 65 A 1 ATOM 520 C CG . GLN A 1 65 ? -5.817 12.752 -0.621 1.00 44.44 65 A 1 ATOM 521 C CD . GLN A 1 65 ? -4.681 12.212 -1.482 1.00 41.94 65 A 1 ATOM 522 O OE1 . GLN A 1 65 ? -3.590 11.905 -1.029 1.00 40.10 65 A 1 ATOM 523 N NE2 . GLN A 1 65 ? -4.887 12.078 -2.773 1.00 38.64 65 A 1 ATOM 524 N N . THR A 1 66 ? -9.200 10.607 1.798 1.00 48.72 66 A 1 ATOM 525 C CA . THR A 1 66 ? -9.881 9.558 2.552 1.00 49.65 66 A 1 ATOM 526 C C . THR A 1 66 ? -9.556 8.220 1.905 1.00 50.51 66 A 1 ATOM 527 O O . THR A 1 66 ? -9.771 8.044 0.709 1.00 49.50 66 A 1 ATOM 528 C CB . THR A 1 66 ? -11.396 9.808 2.567 1.00 47.43 66 A 1 ATOM 529 O OG1 . THR A 1 66 ? -11.676 11.146 2.916 1.00 42.88 66 A 1 ATOM 530 C CG2 . THR A 1 66 ? -12.082 8.943 3.610 1.00 41.47 66 A 1 ATOM 531 N N . TYR A 1 67 ? -9.024 7.289 2.669 1.00 49.87 67 A 1 ATOM 532 C CA . TYR A 1 67 ? -8.666 5.969 2.159 1.00 50.51 67 A 1 ATOM 533 C C . TYR A 1 67 ? -9.588 4.900 2.741 1.00 50.72 67 A 1 ATOM 534 O O . TYR A 1 67 ? -9.763 4.807 3.955 1.00 49.93 67 A 1 ATOM 535 C CB . TYR A 1 67 ? -7.194 5.659 2.436 1.00 48.72 67 A 1 ATOM 536 C CG . TYR A 1 67 ? -6.223 6.541 1.673 1.00 45.86 67 A 1 ATOM 537 C CD1 . TYR A 1 67 ? -5.749 6.148 0.405 1.00 43.50 67 A 1 ATOM 538 C CD2 . TYR A 1 67 ? -5.805 7.767 2.230 1.00 42.78 67 A 1 ATOM 539 C CE1 . TYR A 1 67 ? -4.857 6.973 -0.305 1.00 40.76 67 A 1 ATOM 540 C CE2 . TYR A 1 67 ? -4.917 8.599 1.519 1.00 40.83 67 A 1 ATOM 541 C CZ . TYR A 1 67 ? -4.441 8.201 0.252 1.00 41.01 67 A 1 ATOM 542 O OH . TYR A 1 67 ? -3.584 9.006 -0.434 1.00 41.17 67 A 1 ATOM 543 N N . LYS A 1 68 ? -10.138 4.056 1.871 1.00 49.56 68 A 1 ATOM 544 C CA . LYS A 1 68 ? -10.966 2.904 2.226 1.00 49.80 68 A 1 ATOM 545 C C . LYS A 1 68 ? -10.100 1.654 2.305 1.00 50.02 68 A 1 ATOM 546 O O . LYS A 1 68 ? -9.366 1.332 1.374 1.00 49.06 68 A 1 ATOM 547 C CB . LYS A 1 68 ? -12.095 2.786 1.198 1.00 48.00 68 A 1 ATOM 548 C CG . LYS A 1 68 ? -13.105 1.691 1.560 1.00 43.48 68 A 1 ATOM 549 C CD . LYS A 1 68 ? -14.271 1.735 0.570 1.00 41.17 68 A 1 ATOM 550 C CE . LYS A 1 68 ? -15.336 0.694 0.918 1.00 38.89 68 A 1 ATOM 551 N NZ . LYS A 1 68 ? -16.509 0.845 0.020 1.00 35.56 68 A 1 ATOM 552 N N . TYR A 1 69 ? -10.213 0.941 3.409 1.00 47.06 69 A 1 ATOM 553 C CA . TYR A 1 69 ? -9.582 -0.368 3.550 1.00 46.75 69 A 1 ATOM 554 C C . TYR A 1 69 ? -10.254 -1.393 2.629 1.00 47.32 69 A 1 ATOM 555 O O . TYR A 1 69 ? -11.472 -1.542 2.646 1.00 46.77 69 A 1 ATOM 556 C CB . TYR A 1 69 ? -9.643 -0.802 5.013 1.00 44.63 69 A 1 ATOM 557 C CG . TYR A 1 69 ? -9.108 -2.198 5.259 1.00 40.51 69 A 1 ATOM 558 C CD1 . TYR A 1 69 ? -9.998 -3.269 5.477 1.00 37.86 69 A 1 ATOM 559 C CD2 . TYR A 1 69 ? -7.725 -2.431 5.262 1.00 38.03 69 A 1 ATOM 560 C CE1 . TYR A 1 69 ? -9.501 -4.560 5.720 1.00 35.05 69 A 1 ATOM 561 C CE2 . TYR A 1 69 ? -7.224 -3.725 5.501 1.00 35.77 69 A 1 ATOM 562 C CZ . TYR A 1 69 ? -8.112 -4.791 5.739 1.00 35.81 69 A 1 ATOM 563 O OH . TYR A 1 69 ? -7.635 -6.038 5.992 1.00 34.89 69 A 1 ATOM 564 N N . VAL A 1 70 ? -9.453 -2.110 1.842 1.00 47.35 70 A 1 ATOM 565 C CA . VAL A 1 70 ? -9.931 -3.111 0.867 1.00 47.26 70 A 1 ATOM 566 C C . VAL A 1 70 ? -9.621 -4.535 1.322 1.00 47.28 70 A 1 ATOM 567 O O . VAL A 1 70 ? -10.378 -5.458 1.024 1.00 46.17 70 A 1 ATOM 568 C CB . VAL A 1 70 ? -9.333 -2.838 -0.524 1.00 45.41 70 A 1 ATOM 569 C CG1 . VAL A 1 70 ? -9.825 -3.820 -1.593 1.00 42.38 70 A 1 ATOM 570 C CG2 . VAL A 1 70 ? -9.698 -1.431 -1.003 1.00 41.86 70 A 1 ATOM 571 N N . GLY A 1 71 ? -8.524 -4.730 2.057 1.00 47.63 71 A 1 ATOM 572 C CA . GLY A 1 71 ? -8.149 -6.055 2.533 1.00 48.34 71 A 1 ATOM 573 C C . GLY A 1 71 ? -6.728 -6.133 3.075 1.00 48.94 71 A 1 ATOM 574 O O . GLY A 1 71 ? -5.976 -5.156 3.095 1.00 47.63 71 A 1 ATOM 575 N N . GLN A 1 72 ? -6.358 -7.329 3.512 1.00 43.54 72 A 1 ATOM 576 C CA . GLN A 1 72 ? -5.018 -7.640 3.996 1.00 44.05 72 A 1 ATOM 577 C C . GLN A 1 72 ? -4.388 -8.715 3.113 1.00 44.40 72 A 1 ATOM 578 O O . GLN A 1 72 ? -5.022 -9.708 2.768 1.00 43.44 72 A 1 ATOM 579 C CB . GLN A 1 72 ? -5.101 -8.051 5.473 1.00 43.11 72 A 1 ATOM 580 C CG . GLN A 1 72 ? -3.717 -8.292 6.093 1.00 39.47 72 A 1 ATOM 581 C CD . GLN A 1 72 ? -3.766 -8.540 7.597 1.00 37.19 72 A 1 ATOM 582 O OE1 . GLN A 1 72 ? -4.772 -8.393 8.270 1.00 35.99 72 A 1 ATOM 583 N NE2 . GLN A 1 72 ? -2.656 -8.912 8.203 1.00 34.44 72 A 1 ATOM 584 N N . THR A 1 73 ? -3.130 -8.518 2.759 1.00 44.54 73 A 1 ATOM 585 C CA . THR A 1 73 ? -2.300 -9.511 2.066 1.00 45.39 73 A 1 ATOM 586 C C . THR A 1 73 ? -1.122 -9.898 2.953 1.00 45.72 73 A 1 ATOM 587 O O . THR A 1 73 ? -0.825 -9.227 3.944 1.00 44.33 73 A 1 ATOM 588 C CB . THR A 1 73 ? -1.803 -8.986 0.713 1.00 43.39 73 A 1 ATOM 589 O OG1 . THR A 1 73 ? -0.847 -7.971 0.887 1.00 40.28 73 A 1 ATOM 590 C CG2 . THR A 1 73 ? -2.916 -8.431 -0.174 1.00 39.45 73 A 1 ATOM 591 N N . ASN A 1 74 ? -0.375 -10.932 2.560 1.00 46.45 74 A 1 ATOM 592 C CA . ASN A 1 74 ? 0.882 -11.298 3.225 1.00 46.78 74 A 1 ATOM 593 C C . ASN A 1 74 ? 1.936 -10.173 3.197 1.00 46.61 74 A 1 ATOM 594 O O . ASN A 1 74 ? 2.913 -10.220 3.936 1.00 45.43 74 A 1 ATOM 595 C CB . ASN A 1 74 ? 1.442 -12.566 2.559 1.00 45.45 74 A 1 ATOM 596 C CG . ASN A 1 74 ? 0.547 -13.783 2.721 1.00 41.63 74 A 1 ATOM 597 O OD1 . ASN A 1 74 ? -0.380 -13.813 3.512 1.00 39.14 74 A 1 ATOM 598 N ND2 . ASN A 1 74 ? 0.791 -14.821 1.962 1.00 38.54 74 A 1 ATOM 599 N N . LEU A 1 75 ? 1.741 -9.162 2.343 1.00 42.56 75 A 1 ATOM 600 C CA . LEU A 1 75 ? 2.605 -7.993 2.192 1.00 43.17 75 A 1 ATOM 601 C C . LEU A 1 75 ? 2.117 -6.773 2.993 1.00 43.41 75 A 1 ATOM 602 O O . LEU A 1 75 ? 2.808 -5.764 3.027 1.00 42.02 75 A 1 ATOM 603 C CB . LEU A 1 75 ? 2.732 -7.670 0.691 1.00 41.15 75 A 1 ATOM 604 C CG . LEU A 1 75 ? 3.309 -8.808 -0.174 1.00 38.47 75 A 1 ATOM 605 C CD1 . LEU A 1 75 ? 3.239 -8.416 -1.649 1.00 35.92 75 A 1 ATOM 606 C CD2 . LEU A 1 75 ? 4.765 -9.117 0.176 1.00 35.75 75 A 1 ATOM 607 N N . GLY A 1 76 ? 0.943 -6.841 3.624 1.00 44.72 76 A 1 ATOM 608 C CA . GLY A 1 76 ? 0.394 -5.772 4.458 1.00 45.58 76 A 1 ATOM 609 C C . GLY A 1 76 ? -1.050 -5.394 4.125 1.00 46.19 76 A 1 ATOM 610 O O . GLY A 1 76 ? -1.773 -6.118 3.434 1.00 45.36 76 A 1 ATOM 611 N N . LEU A 1 77 ? -1.469 -4.241 4.662 1.00 45.17 77 A 1 ATOM 612 C CA . LEU A 1 77 ? -2.812 -3.687 4.478 1.00 46.26 77 A 1 ATOM 613 C C . LEU A 1 77 ? -2.930 -2.991 3.120 1.00 47.34 77 A 1 ATOM 614 O O . LEU A 1 77 ? -2.037 -2.248 2.720 1.00 46.38 77 A 1 ATOM 615 C CB . LEU A 1 77 ? -3.136 -2.709 5.617 1.00 44.01 77 A 1 ATOM 616 C CG . LEU A 1 77 ? -3.085 -3.310 7.035 1.00 40.39 77 A 1 ATOM 617 C CD1 . LEU A 1 77 ? -3.352 -2.218 8.068 1.00 37.38 77 A 1 ATOM 618 C CD2 . LEU A 1 77 ? -4.116 -4.419 7.234 1.00 37.14 77 A 1 ATOM 619 N N . VAL A 1 78 ? -4.052 -3.192 2.432 1.00 48.86 78 A 1 ATOM 620 C CA . VAL A 1 78 ? -4.377 -2.552 1.154 1.00 49.94 78 A 1 ATOM 621 C C . VAL A 1 78 ? -5.490 -1.538 1.382 1.00 50.48 78 A 1 ATOM 622 O O . VAL A 1 78 ? -6.576 -1.888 1.840 1.00 50.04 78 A 1 ATOM 623 C CB . VAL A 1 78 ? -4.771 -3.588 0.091 1.00 48.84 78 A 1 ATOM 624 C CG1 . VAL A 1 78 ? -5.053 -2.906 -1.250 1.00 44.73 78 A 1 ATOM 625 C CG2 . VAL A 1 78 ? -3.655 -4.619 -0.127 1.00 43.45 78 A 1 ATOM 626 N N . CYS A 1 79 ? -5.212 -0.280 1.043 1.00 50.95 79 A 1 ATOM 627 C CA . CYS A 1 79 ? -6.163 0.827 1.111 1.00 51.66 79 A 1 ATOM 628 C C . CYS A 1 79 ? -6.257 1.521 -0.253 1.00 52.62 79 A 1 ATOM 629 O O . CYS A 1 79 ? -5.256 1.625 -0.960 1.00 51.46 79 A 1 ATOM 630 C CB . CYS A 1 79 ? -5.749 1.810 2.210 1.00 49.43 79 A 1 ATOM 631 S SG . CYS A 1 79 ? -5.649 0.998 3.832 1.00 44.04 79 A 1 ATOM 632 N N . VAL A 1 80 ? -7.451 2.011 -0.610 1.00 53.82 80 A 1 ATOM 633 C CA . VAL A 1 80 ? -7.733 2.724 -1.867 1.00 54.49 80 A 1 ATOM 634 C C . VAL A 1 80 ? -8.261 4.116 -1.542 1.00 55.40 80 A 1 ATOM 635 O O . VAL A 1 80 ? -9.032 4.267 -0.607 1.00 53.93 80 A 1 ATOM 636 C CB . VAL A 1 80 ? -8.723 1.930 -2.733 1.00 52.40 80 A 1 ATOM 637 C CG1 . VAL A 1 80 ? -9.081 2.651 -4.037 1.00 47.92 80 A 1 ATOM 638 C CG2 . VAL A 1 80 ? -8.132 0.572 -3.116 1.00 46.62 80 A 1 ATOM 639 N N . ASP A 1 81 ? -7.836 5.119 -2.290 1.00 52.73 81 A 1 ATOM 640 C CA . ASP A 1 81 ? -8.368 6.486 -2.189 1.00 54.18 81 A 1 ATOM 641 C C . ASP A 1 81 ? -9.861 6.472 -2.546 1.00 54.09 81 A 1 ATOM 642 O O . ASP A 1 81 ? -10.226 6.119 -3.666 1.00 53.51 81 A 1 ATOM 643 C CB . ASP A 1 81 ? -7.546 7.400 -3.112 1.00 53.37 81 A 1 ATOM 644 C CG . ASP A 1 81 ? -7.849 8.900 -2.996 1.00 49.25 81 A 1 ATOM 645 O OD1 . ASP A 1 81 ? -8.947 9.267 -2.526 1.00 46.60 81 A 1 ATOM 646 O OD2 . ASP A 1 81 ? -6.969 9.690 -3.422 1.00 46.24 81 A 1 ATOM 647 N N . GLU A 1 82 ? -10.714 6.852 -1.599 1.00 49.98 82 A 1 ATOM 648 C CA . GLU A 1 82 ? -12.174 6.818 -1.744 1.00 49.97 82 A 1 ATOM 649 C C . GLU A 1 82 ? -12.671 7.779 -2.833 1.00 49.79 82 A 1 ATOM 650 O O . GLU A 1 82 ? -13.683 7.527 -3.482 1.00 48.06 82 A 1 ATOM 651 C CB . GLU A 1 82 ? -12.796 7.147 -0.383 1.00 48.74 82 A 1 ATOM 652 C CG . GLU A 1 82 ? -14.316 6.935 -0.330 1.00 44.60 82 A 1 ATOM 653 C CD . GLU A 1 82 ? -14.912 7.198 1.063 1.00 41.66 82 A 1 ATOM 654 O OE1 . GLU A 1 82 ? -16.010 6.670 1.330 1.00 40.75 82 A 1 ATOM 655 O OE2 . GLU A 1 82 ? -14.270 7.923 1.848 1.00 40.35 82 A 1 ATOM 656 N N . LYS A 1 83 ? -11.924 8.871 -3.091 1.00 52.74 83 A 1 ATOM 657 C CA . LYS A 1 83 ? -12.249 9.828 -4.160 1.00 51.79 83 A 1 ATOM 658 C C . LYS A 1 83 ? -11.764 9.374 -5.539 1.00 50.48 83 A 1 ATOM 659 O O . LYS A 1 83 ? -12.107 9.999 -6.539 1.00 47.48 83 A 1 ATOM 660 C CB . LYS A 1 83 ? -11.687 11.208 -3.807 1.00 49.72 83 A 1 ATOM 661 C CG . LYS A 1 83 ? -12.343 11.783 -2.546 1.00 45.42 83 A 1 ATOM 662 C CD . LYS A 1 83 ? -11.824 13.190 -2.253 1.00 43.70 83 A 1 ATOM 663 C CE . LYS A 1 83 ? -12.516 13.710 -0.992 1.00 40.71 83 A 1 ATOM 664 N NZ . LYS A 1 83 ? -12.002 15.034 -0.577 1.00 37.96 83 A 1 ATOM 665 N N . LYS A 1 84 ? -10.958 8.326 -5.600 1.00 50.44 84 A 1 ATOM 666 C CA . LYS A 1 84 ? -10.452 7.715 -6.828 1.00 50.01 84 A 1 ATOM 667 C C . LYS A 1 84 ? -10.868 6.251 -6.893 1.00 48.47 84 A 1 ATOM 668 O O . LYS A 1 84 ? -10.024 5.359 -6.841 1.00 45.74 84 A 1 ATOM 669 C CB . LYS A 1 84 ? -8.934 7.892 -6.934 1.00 48.14 84 A 1 ATOM 670 C CG . LYS A 1 84 ? -8.515 9.352 -7.115 1.00 44.53 84 A 1 ATOM 671 C CD . LYS A 1 84 ? -7.000 9.411 -7.304 1.00 43.54 84 A 1 ATOM 672 C CE . LYS A 1 84 ? -6.554 10.861 -7.468 1.00 40.99 84 A 1 ATOM 673 N NZ . LYS A 1 84 ? -5.081 10.946 -7.544 1.00 38.91 84 A 1 ATOM 674 N N . ASP A 1 85 ? -12.167 6.023 -7.075 1.00 45.31 85 A 1 ATOM 675 C CA . ASP A 1 85 ? -12.756 4.689 -7.304 1.00 45.34 85 A 1 ATOM 676 C C . ASP A 1 85 ? -12.212 3.953 -8.552 1.00 44.85 85 A 1 ATOM 677 O O . ASP A 1 85 ? -12.472 2.770 -8.761 1.00 42.42 85 A 1 ATOM 678 C CB . ASP A 1 85 ? -14.290 4.825 -7.394 1.00 42.54 85 A 1 ATOM 679 C CG . ASP A 1 85 ? -15.033 4.594 -6.072 1.00 39.15 85 A 1 ATOM 680 O OD1 . ASP A 1 85 ? -14.480 3.900 -5.185 1.00 36.75 85 A 1 ATOM 681 O OD2 . ASP A 1 85 ? -16.188 5.062 -5.985 1.00 36.33 85 A 1 ATOM 682 N N . ALA A 1 86 ? -11.401 4.618 -9.371 1.00 42.65 86 A 1 ATOM 683 C CA . ALA A 1 86 ? -10.666 4.043 -10.481 1.00 42.52 86 A 1 ATOM 684 C C . ALA A 1 86 ? -9.220 3.725 -10.069 1.00 43.39 86 A 1 ATOM 685 O O . ALA A 1 86 ? -8.277 4.412 -10.461 1.00 40.97 86 A 1 ATOM 686 C CB . ALA A 1 86 ? -10.791 4.985 -11.683 1.00 38.63 86 A 1 ATOM 687 N N . MET A 1 87 ? -9.025 2.654 -9.302 1.00 42.30 87 A 1 ATOM 688 C CA . MET A 1 87 ? -7.790 1.894 -9.494 1.00 43.49 87 A 1 ATOM 689 C C . MET A 1 87 ? -7.809 1.375 -10.927 1.00 44.24 87 A 1 ATOM 690 O O . MET A 1 87 ? -8.803 0.790 -11.362 1.00 42.89 87 A 1 ATOM 691 C CB . MET A 1 87 ? -7.653 0.719 -8.517 1.00 41.92 87 A 1 ATOM 692 C CG . MET A 1 87 ? -7.280 1.166 -7.111 1.00 38.34 87 A 1 ATOM 693 S SD . MET A 1 87 ? -6.707 -0.193 -6.045 1.00 36.15 87 A 1 ATOM 694 C CE . MET A 1 87 ? -4.960 -0.223 -6.488 1.00 34.73 87 A 1 ATOM 695 N N . ASP A 1 88 ? -6.711 1.577 -11.650 1.00 41.43 88 A 1 ATOM 696 C CA . ASP A 1 88 ? -6.482 0.917 -12.934 1.00 42.39 88 A 1 ATOM 697 C C . ASP A 1 88 ? -6.860 -0.572 -12.821 1.00 43.26 88 A 1 ATOM 698 O O . ASP A 1 88 ? -6.429 -1.260 -11.888 1.00 41.98 88 A 1 ATOM 699 C CB . ASP A 1 88 ? -5.014 1.120 -13.324 1.00 41.03 88 A 1 ATOM 700 C CG . ASP A 1 88 ? -4.619 0.280 -14.531 1.00 37.45 88 A 1 ATOM 701 O OD1 . ASP A 1 88 ? -5.485 0.105 -15.420 1.00 35.02 88 A 1 ATOM 702 O OD2 . ASP A 1 88 ? -3.488 -0.242 -14.499 1.00 35.40 88 A 1 ATOM 703 N N . GLY A 1 89 ? -7.710 -1.038 -13.728 1.00 42.85 89 A 1 ATOM 704 C CA . GLY A 1 89 ? -8.336 -2.359 -13.641 1.00 43.37 89 A 1 ATOM 705 C C . GLY A 1 89 ? -7.323 -3.496 -13.504 1.00 45.08 89 A 1 ATOM 706 O O . GLY A 1 89 ? -7.577 -4.457 -12.779 1.00 43.16 89 A 1 ATOM 707 N N . ASP A 1 90 ? -6.143 -3.344 -14.101 1.00 42.63 90 A 1 ATOM 708 C CA . ASP A 1 90 ? -5.037 -4.299 -13.990 1.00 44.75 90 A 1 ATOM 709 C C . ASP A 1 90 ? -4.448 -4.326 -12.566 1.00 46.26 90 A 1 ATOM 710 O O . ASP A 1 90 ? -4.181 -5.388 -12.002 1.00 45.41 90 A 1 ATOM 711 C CB . ASP A 1 90 ? -3.968 -3.946 -15.043 1.00 43.94 90 A 1 ATOM 712 C CG . ASP A 1 90 ? -2.907 -5.050 -15.186 1.00 39.61 90 A 1 ATOM 713 O OD1 . ASP A 1 90 ? -3.280 -6.243 -15.177 1.00 36.90 90 A 1 ATOM 714 O OD2 . ASP A 1 90 ? -1.698 -4.738 -15.258 1.00 36.09 90 A 1 ATOM 715 N N . THR A 1 91 ? -4.330 -3.163 -11.922 1.00 44.48 91 A 1 ATOM 716 C CA . THR A 1 91 ? -3.856 -3.061 -10.533 1.00 46.13 91 A 1 ATOM 717 C C . THR A 1 91 ? -4.847 -3.697 -9.555 1.00 46.69 91 A 1 ATOM 718 O O . THR A 1 91 ? -4.444 -4.453 -8.665 1.00 46.39 91 A 1 ATOM 719 C CB . THR A 1 91 ? -3.588 -1.595 -10.160 1.00 44.91 91 A 1 ATOM 720 O OG1 . THR A 1 91 ? -2.638 -1.042 -11.038 1.00 40.84 91 A 1 ATOM 721 C CG2 . THR A 1 91 ? -2.989 -1.461 -8.763 1.00 40.10 91 A 1 ATOM 722 N N . LEU A 1 92 ? -6.148 -3.461 -9.743 1.00 43.11 92 A 1 ATOM 723 C CA . LEU A 1 92 ? -7.203 -4.085 -8.941 1.00 44.31 92 A 1 ATOM 724 C C . LEU A 1 92 ? -7.228 -5.610 -9.129 1.00 45.07 92 A 1 ATOM 725 O O . LEU A 1 92 ? -7.329 -6.354 -8.154 1.00 44.61 92 A 1 ATOM 726 C CB . LEU A 1 92 ? -8.560 -3.458 -9.324 1.00 42.89 92 A 1 ATOM 727 C CG . LEU A 1 92 ? -9.663 -3.744 -8.288 1.00 39.25 92 A 1 ATOM 728 C CD1 . LEU A 1 92 ? -9.626 -2.731 -7.144 1.00 36.75 92 A 1 ATOM 729 C CD2 . LEU A 1 92 ? -11.048 -3.683 -8.935 1.00 36.68 92 A 1 ATOM 730 N N . LEU A 1 93 ? -7.077 -6.084 -10.367 1.00 43.33 93 A 1 ATOM 731 C CA . LEU A 1 93 ? -7.034 -7.508 -10.703 1.00 43.96 93 A 1 ATOM 732 C C . LEU A 1 93 ? -5.829 -8.204 -10.053 1.00 44.74 93 A 1 ATOM 733 O O . LEU A 1 93 ? -5.982 -9.260 -9.435 1.00 43.39 93 A 1 ATOM 734 C CB . LEU A 1 93 ? -7.011 -7.649 -12.237 1.00 42.03 93 A 1 ATOM 735 C CG . LEU A 1 93 ? -7.201 -9.093 -12.729 1.00 37.62 93 A 1 ATOM 736 C CD1 . LEU A 1 93 ? -8.642 -9.570 -12.529 1.00 34.13 93 A 1 ATOM 737 C CD2 . LEU A 1 93 ? -6.862 -9.189 -14.214 1.00 34.19 93 A 1 ATOM 738 N N . ARG A 1 94 ? -4.646 -7.589 -10.105 1.00 45.41 94 A 1 ATOM 739 C CA . ARG A 1 94 ? -3.421 -8.102 -9.468 1.00 46.61 94 A 1 ATOM 740 C C . ARG A 1 94 ? -3.547 -8.173 -7.946 1.00 46.67 94 A 1 ATOM 741 O O . ARG A 1 94 ? -3.110 -9.156 -7.345 1.00 46.20 94 A 1 ATOM 742 C CB . ARG A 1 94 ? -2.228 -7.216 -9.851 1.00 45.15 94 A 1 ATOM 743 C CG . ARG A 1 94 ? -1.800 -7.408 -11.312 1.00 40.55 94 A 1 ATOM 744 C CD . ARG A 1 94 ? -0.735 -6.365 -11.665 1.00 39.71 94 A 1 ATOM 745 N NE . ARG A 1 94 ? -0.448 -6.359 -13.102 1.00 37.56 94 A 1 ATOM 746 C CZ . ARG A 1 94 ? 0.711 -6.360 -13.719 1.00 35.11 94 A 1 ATOM 747 N NH1 . ARG A 1 94 ? 1.848 -6.458 -13.088 1.00 34.47 94 A 1 ATOM 748 N NH2 . ARG A 1 94 ? 0.724 -6.245 -15.013 1.00 33.27 94 A 1 ATOM 749 N N . LEU A 1 95 ? -4.157 -7.162 -7.318 1.00 46.57 95 A 1 ATOM 750 C CA . LEU A 1 95 ? -4.427 -7.176 -5.876 1.00 46.78 95 A 1 ATOM 751 C C . LEU A 1 95 ? -5.431 -8.269 -5.506 1.00 46.56 95 A 1 ATOM 752 O O . LEU A 1 95 ? -5.194 -9.020 -4.560 1.00 45.75 95 A 1 ATOM 753 C CB . LEU A 1 95 ? -4.932 -5.793 -5.429 1.00 45.58 95 A 1 ATOM 754 C CG . LEU A 1 95 ? -3.826 -4.722 -5.366 1.00 42.12 95 A 1 ATOM 755 C CD1 . LEU A 1 95 ? -4.474 -3.361 -5.134 1.00 40.05 95 A 1 ATOM 756 C CD2 . LEU A 1 95 ? -2.835 -4.980 -4.230 1.00 40.06 95 A 1 ATOM 757 N N . ARG A 1 96 ? -6.501 -8.423 -6.285 1.00 46.06 96 A 1 ATOM 758 C CA . ARG A 1 96 ? -7.509 -9.470 -6.086 1.00 45.68 96 A 1 ATOM 759 C C . ARG A 1 96 ? -6.904 -10.866 -6.224 1.00 44.98 96 A 1 ATOM 760 O O . ARG A 1 96 ? -7.143 -11.713 -5.368 1.00 43.51 96 A 1 ATOM 761 C CB . ARG A 1 96 ? -8.668 -9.234 -7.066 1.00 43.25 96 A 1 ATOM 762 C CG . ARG A 1 96 ? -9.905 -10.073 -6.712 1.00 39.37 96 A 1 ATOM 763 C CD . ARG A 1 96 ? -11.051 -9.723 -7.668 1.00 38.00 96 A 1 ATOM 764 N NE . ARG A 1 96 ? -12.327 -10.328 -7.245 1.00 36.18 96 A 1 ATOM 765 C CZ . ARG A 1 96 ? -13.511 -10.107 -7.788 1.00 33.71 96 A 1 ATOM 766 N NH1 . ARG A 1 96 ? -13.658 -9.334 -8.830 1.00 33.11 96 A 1 ATOM 767 N NH2 . ARG A 1 96 ? -14.580 -10.659 -7.288 1.00 32.12 96 A 1 ATOM 768 N N . TYR A 1 97 ? -6.067 -11.088 -7.231 1.00 43.72 97 A 1 ATOM 769 C CA . TYR A 1 97 ? -5.349 -12.347 -7.420 1.00 44.02 97 A 1 ATOM 770 C C . TYR A 1 97 ? -4.416 -12.668 -6.239 1.00 44.40 97 A 1 ATOM 771 O O . TYR A 1 97 ? -4.420 -13.788 -5.724 1.00 43.37 97 A 1 ATOM 772 C CB . TYR A 1 97 ? -4.571 -12.277 -8.741 1.00 42.28 97 A 1 ATOM 773 C CG . TYR A 1 97 ? -3.878 -13.582 -9.083 1.00 38.89 97 A 1 ATOM 774 C CD1 . TYR A 1 97 ? -2.511 -13.765 -8.781 1.00 36.02 97 A 1 ATOM 775 C CD2 . TYR A 1 97 ? -4.609 -14.629 -9.682 1.00 35.93 97 A 1 ATOM 776 C CE1 . TYR A 1 97 ? -1.883 -14.988 -9.077 1.00 33.54 97 A 1 ATOM 777 C CE2 . TYR A 1 97 ? -3.982 -15.855 -9.979 1.00 34.68 97 A 1 ATOM 778 C CZ . TYR A 1 97 ? -2.618 -16.032 -9.675 1.00 34.10 97 A 1 ATOM 779 O OH . TYR A 1 97 ? -2.010 -17.218 -9.958 1.00 32.90 97 A 1 ATOM 780 N N . ARG A 1 98 ? -3.678 -11.675 -5.735 1.00 44.32 98 A 1 ATOM 781 C CA . ARG A 1 98 ? -2.799 -11.846 -4.562 1.00 44.44 98 A 1 ATOM 782 C C . ARG A 1 98 ? -3.565 -12.099 -3.260 1.00 43.37 98 A 1 ATOM 783 O O . ARG A 1 98 ? -3.059 -12.819 -2.406 1.00 42.17 98 A 1 ATOM 784 C CB . ARG A 1 98 ? -1.886 -10.624 -4.404 1.00 42.76 98 A 1 ATOM 785 C CG . ARG A 1 98 ? -0.761 -10.609 -5.445 1.00 39.21 98 A 1 ATOM 786 C CD . ARG A 1 98 ? 0.131 -9.386 -5.217 1.00 38.07 98 A 1 ATOM 787 N NE . ARG A 1 98 ? 1.239 -9.330 -6.187 1.00 35.78 98 A 1 ATOM 788 C CZ . ARG A 1 98 ? 2.247 -8.472 -6.178 1.00 34.28 98 A 1 ATOM 789 N NH1 . ARG A 1 98 ? 2.367 -7.554 -5.256 1.00 33.34 98 A 1 ATOM 790 N NH2 . ARG A 1 98 ? 3.161 -8.520 -7.107 1.00 32.21 98 A 1 ATOM 791 N N . MET A 1 99 ? -4.763 -11.537 -3.109 1.00 40.36 99 A 1 ATOM 792 C CA . MET A 1 99 ? -5.635 -11.829 -1.964 1.00 39.94 99 A 1 ATOM 793 C C . MET A 1 99 ? -6.220 -13.247 -2.032 1.00 39.75 99 A 1 ATOM 794 O O . MET A 1 99 ? -6.399 -13.879 -0.997 1.00 38.27 99 A 1 ATOM 795 C CB . MET A 1 99 ? -6.765 -10.795 -1.867 1.00 37.86 99 A 1 ATOM 796 C CG . MET A 1 99 ? -6.262 -9.417 -1.418 1.00 34.55 99 A 1 ATOM 797 S SD . MET A 1 99 ? -7.566 -8.213 -1.033 1.00 32.81 99 A 1 ATOM 798 C CE . MET A 1 99 ? -8.339 -7.974 -2.656 1.00 31.26 99 A 1 ATOM 799 N N . GLN A 1 100 ? -6.494 -13.758 -3.240 1.00 39.61 100 A 1 ATOM 800 C CA . GLN A 1 100 ? -7.051 -15.101 -3.451 1.00 40.57 100 A 1 ATOM 801 C C . GLN A 1 100 ? -5.997 -16.217 -3.417 1.00 40.58 100 A 1 ATOM 802 O O . GLN A 1 100 ? -6.335 -17.363 -3.132 1.00 39.15 100 A 1 ATOM 803 C CB . GLN A 1 100 ? -7.816 -15.114 -4.779 1.00 39.25 100 A 1 ATOM 804 C CG . GLN A 1 100 ? -9.128 -14.319 -4.694 1.00 36.33 100 A 1 ATOM 805 C CD . GLN A 1 100 ? -9.889 -14.264 -6.017 1.00 33.95 100 A 1 ATOM 806 O OE1 . GLN A 1 100 ? -9.383 -14.504 -7.096 1.00 32.98 100 A 1 ATOM 807 N NE2 . GLN A 1 100 ? -11.160 -13.927 -5.985 1.00 32.57 100 A 1 ATOM 808 N N . SER A 1 101 ? -4.727 -15.902 -3.673 1.00 38.69 101 A 1 ATOM 809 C CA . SER A 1 101 ? -3.624 -16.872 -3.726 1.00 40.19 101 A 1 ATOM 810 C C . SER A 1 101 ? -2.500 -16.508 -2.747 1.00 40.24 101 A 1 ATOM 811 O O . SER A 1 101 ? -1.427 -16.059 -3.166 1.00 38.46 101 A 1 ATOM 812 C CB . SER A 1 101 ? -3.109 -17.000 -5.163 1.00 38.06 101 A 1 ATOM 813 O OG . SER A 1 101 ? -4.159 -17.416 -6.021 1.00 34.63 101 A 1 ATOM 814 N N . PRO A 1 102 ? -2.702 -16.696 -1.433 1.00 38.92 102 A 1 ATOM 815 C CA . PRO A 1 102 ? -1.742 -16.274 -0.407 1.00 40.43 102 A 1 ATOM 816 C C . PRO A 1 102 ? -0.423 -17.064 -0.408 1.00 40.70 102 A 1 ATOM 817 O O . PRO A 1 102 ? 0.536 -16.655 0.240 1.00 39.56 102 A 1 ATOM 818 C CB . PRO A 1 102 ? -2.502 -16.428 0.918 1.00 38.55 102 A 1 ATOM 819 C CG . PRO A 1 102 ? -3.544 -17.508 0.633 1.00 37.59 102 A 1 ATOM 820 C CD . PRO A 1 102 ? -3.899 -17.258 -0.824 1.00 39.22 102 A 1 ATOM 821 N N . SER A 1 103 ? -0.359 -18.188 -1.131 1.00 38.43 103 A 1 ATOM 822 C CA . SER A 1 103 ? 0.781 -19.113 -1.130 1.00 40.01 103 A 1 ATOM 823 C C . SER A 1 103 ? 1.689 -19.032 -2.363 1.00 41.06 103 A 1 ATOM 824 O O . SER A 1 103 ? 2.688 -19.746 -2.416 1.00 38.60 103 A 1 ATOM 825 C CB . SER A 1 103 ? 0.262 -20.542 -0.955 1.00 37.45 103 A 1 ATOM 826 O OG . SER A 1 103 ? -0.715 -20.827 -1.942 1.00 33.86 103 A 1 ATOM 827 N N . VAL A 1 104 ? 1.371 -18.205 -3.360 1.00 34.03 104 A 1 ATOM 828 C CA . VAL A 1 104 ? 2.203 -18.093 -4.569 1.00 36.46 104 A 1 ATOM 829 C C . VAL A 1 104 ? 3.261 -17.005 -4.354 1.00 36.74 104 A 1 ATOM 830 O O . VAL A 1 104 ? 2.908 -15.822 -4.300 1.00 35.30 104 A 1 ATOM 831 C CB . VAL A 1 104 ? 1.360 -17.845 -5.836 1.00 35.12 104 A 1 ATOM 832 C CG1 . VAL A 1 104 ? 2.248 -17.854 -7.093 1.00 31.90 104 A 1 ATOM 833 C CG2 . VAL A 1 104 ? 0.304 -18.941 -6.019 1.00 31.87 104 A 1 ATOM 834 N N . PRO A 1 105 ? 4.553 -17.359 -4.227 1.00 38.85 105 A 1 ATOM 835 C CA . PRO A 1 105 ? 5.603 -16.351 -4.190 1.00 41.51 105 A 1 ATOM 836 C C . PRO A 1 105 ? 5.549 -15.561 -5.498 1.00 42.25 105 A 1 ATOM 837 O O . PRO A 1 105 ? 5.444 -16.136 -6.581 1.00 41.64 105 A 1 ATOM 838 C CB . PRO A 1 105 ? 6.923 -17.108 -3.995 1.00 40.74 105 A 1 ATOM 839 C CG . PRO A 1 105 ? 6.622 -18.501 -4.550 1.00 39.19 105 A 1 ATOM 840 C CD . PRO A 1 105 ? 5.129 -18.693 -4.275 1.00 41.20 105 A 1 ATOM 841 N N . ALA A 1 106 ? 5.593 -14.225 -5.402 1.00 36.84 106 A 1 ATOM 842 C CA . ALA A 1 106 ? 5.623 -13.366 -6.576 1.00 37.95 106 A 1 ATOM 843 C C . ALA A 1 106 ? 6.816 -13.786 -7.450 1.00 37.76 106 A 1 ATOM 844 O O . ALA A 1 106 ? 7.963 -13.522 -7.094 1.00 36.62 106 A 1 ATOM 845 C CB . ALA A 1 106 ? 5.713 -11.897 -6.126 1.00 37.18 106 A 1 ATOM 846 N N . ARG A 1 107 ? 6.552 -14.463 -8.582 1.00 35.42 107 A 1 ATOM 847 C CA . ARG A 1 107 ? 7.581 -14.687 -9.601 1.00 38.49 107 A 1 ATOM 848 C C . ARG A 1 107 ? 8.063 -13.305 -10.028 1.00 38.63 107 A 1 ATOM 849 O O . ARG A 1 107 ? 7.297 -12.522 -10.587 1.00 37.39 107 A 1 ATOM 850 C CB . ARG A 1 107 ? 7.050 -15.493 -10.799 1.00 37.28 107 A 1 ATOM 851 C CG . ARG A 1 107 ? 7.117 -17.011 -10.560 1.00 33.85 107 A 1 ATOM 852 C CD . ARG A 1 107 ? 6.723 -17.774 -11.836 1.00 32.53 107 A 1 ATOM 853 N NE . ARG A 1 107 ? 6.858 -19.237 -11.670 1.00 29.99 107 A 1 ATOM 854 C CZ . ARG A 1 107 ? 6.655 -20.155 -12.603 1.00 28.59 107 A 1 ATOM 855 N NH1 . ARG A 1 107 ? 6.284 -19.842 -13.817 1.00 27.95 107 A 1 ATOM 856 N NH2 . ARG A 1 107 ? 6.819 -21.420 -12.335 1.00 27.01 107 A 1 ATOM 857 N N . GLN A 1 108 ? 9.314 -13.003 -9.705 1.00 32.97 108 A 1 ATOM 858 C CA . GLN A 1 108 ? 10.015 -11.876 -10.284 1.00 34.69 108 A 1 ATOM 859 C C . GLN A 1 108 ? 10.126 -12.164 -11.778 1.00 34.67 108 A 1 ATOM 860 O O . GLN A 1 108 ? 10.919 -13.000 -12.198 1.00 33.35 108 A 1 ATOM 861 C CB . GLN A 1 108 ? 11.398 -11.711 -9.632 1.00 34.29 108 A 1 ATOM 862 C CG . GLN A 1 108 ? 11.314 -11.155 -8.198 1.00 31.63 108 A 1 ATOM 863 C CD . GLN A 1 108 ? 12.680 -11.018 -7.527 1.00 29.96 108 A 1 ATOM 864 O OE1 . GLN A 1 108 ? 13.690 -11.539 -7.959 1.00 29.44 108 A 1 ATOM 865 N NE2 . GLN A 1 108 ? 12.765 -10.325 -6.411 1.00 29.43 108 A 1 ATOM 866 N N . PHE A 1 109 ? 9.286 -11.518 -12.582 1.00 31.64 109 A 1 ATOM 867 C CA . PHE A 1 109 ? 9.569 -11.407 -14.002 1.00 33.48 109 A 1 ATOM 868 C C . PHE A 1 109 ? 10.753 -10.444 -14.117 1.00 32.39 109 A 1 ATOM 869 O O . PHE A 1 109 ? 10.655 -9.329 -13.595 1.00 30.51 109 A 1 ATOM 870 C CB . PHE A 1 109 ? 8.330 -10.918 -14.760 1.00 31.95 109 A 1 ATOM 871 C CG . PHE A 1 109 ? 7.202 -11.934 -14.774 1.00 30.10 109 A 1 ATOM 872 C CD1 . PHE A 1 109 ? 7.204 -12.973 -15.721 1.00 27.26 109 A 1 ATOM 873 C CD2 . PHE A 1 109 ? 6.169 -11.865 -13.824 1.00 27.22 109 A 1 ATOM 874 C CE1 . PHE A 1 109 ? 6.179 -13.935 -15.725 1.00 25.92 109 A 1 ATOM 875 C CE2 . PHE A 1 109 ? 5.142 -12.829 -13.824 1.00 26.87 109 A 1 ATOM 876 C CZ . PHE A 1 109 ? 5.147 -13.862 -14.775 1.00 26.73 109 A 1 ATOM 877 N N . PRO A 1 110 ? 11.877 -10.852 -14.724 1.00 37.62 110 A 1 ATOM 878 C CA . PRO A 1 110 ? 12.946 -9.916 -15.017 1.00 40.64 110 A 1 ATOM 879 C C . PRO A 1 110 ? 12.395 -8.905 -16.025 1.00 40.58 110 A 1 ATOM 880 O O . PRO A 1 110 ? 12.185 -9.219 -17.193 1.00 39.52 110 A 1 ATOM 881 C CB . PRO A 1 110 ? 14.107 -10.767 -15.552 1.00 38.94 110 A 1 ATOM 882 C CG . PRO A 1 110 ? 13.417 -11.997 -16.136 1.00 37.48 110 A 1 ATOM 883 C CD . PRO A 1 110 ? 12.162 -12.160 -15.279 1.00 41.61 110 A 1 ATOM 884 N N . VAL A 1 111 ? 12.081 -7.699 -15.548 1.00 32.23 111 A 1 ATOM 885 C CA . VAL A 1 111 ? 11.803 -6.566 -16.426 1.00 35.49 111 A 1 ATOM 886 C C . VAL A 1 111 ? 13.166 -6.031 -16.847 1.00 34.92 111 A 1 ATOM 887 O O . VAL A 1 111 ? 13.783 -5.250 -16.128 1.00 33.31 111 A 1 ATOM 888 C CB . VAL A 1 111 ? 10.914 -5.507 -15.748 1.00 34.29 111 A 1 ATOM 889 C CG1 . VAL A 1 111 ? 10.599 -4.356 -16.717 1.00 30.35 111 A 1 ATOM 890 C CG2 . VAL A 1 111 ? 9.577 -6.111 -15.298 1.00 29.97 111 A 1 ATOM 891 N N . GLU A 1 112 ? 13.656 -6.514 -17.981 1.00 30.07 112 A 1 ATOM 892 C CA . GLU A 1 112 ? 14.774 -5.891 -18.689 1.00 34.78 112 A 1 ATOM 893 C C . GLU A 1 112 ? 14.437 -4.407 -18.932 1.00 34.00 112 A 1 ATOM 894 O O . GLU A 1 112 ? 13.353 -4.097 -19.444 1.00 32.33 112 A 1 ATOM 895 C CB . GLU A 1 112 ? 15.008 -6.610 -20.029 1.00 34.60 112 A 1 ATOM 896 C CG . GLU A 1 112 ? 15.759 -7.949 -19.900 1.00 30.44 112 A 1 ATOM 897 C CD . GLU A 1 112 ? 17.288 -7.793 -19.970 1.00 27.97 112 A 1 ATOM 898 O OE1 . GLU A 1 112 ? 17.970 -8.509 -19.203 1.00 26.72 112 A 1 ATOM 899 O OE2 . GLU A 1 112 ? 17.755 -6.971 -20.786 1.00 29.89 112 A 1 ATOM 900 N N . PRO A 1 113 ? 15.310 -3.460 -18.557 1.00 36.06 113 A 1 ATOM 901 C CA . PRO A 1 113 ? 15.054 -2.045 -18.754 1.00 39.63 113 A 1 ATOM 902 C C . PRO A 1 113 ? 15.171 -1.715 -20.245 1.00 39.73 113 A 1 ATOM 903 O O . PRO A 1 113 ? 16.262 -1.503 -20.754 1.00 38.19 113 A 1 ATOM 904 C CB . PRO A 1 113 ? 16.092 -1.332 -17.870 1.00 38.07 113 A 1 ATOM 905 C CG . PRO A 1 113 ? 17.265 -2.313 -17.831 1.00 37.04 113 A 1 ATOM 906 C CD . PRO A 1 113 ? 16.603 -3.685 -17.935 1.00 41.00 113 A 1 ATOM 907 N N . GLY A 1 114 ? 14.035 -1.674 -20.948 1.00 31.14 114 A 1 ATOM 908 C CA . GLY A 1 114 ? 14.002 -1.214 -22.340 1.00 34.69 114 A 1 ATOM 909 C C . GLY A 1 114 ? 12.936 -1.812 -23.250 1.00 34.24 114 A 1 ATOM 910 O O . GLY A 1 114 ? 12.694 -1.249 -24.318 1.00 31.97 114 A 1 ATOM 911 N N . HIS A 1 115 ? 12.254 -2.890 -22.883 1.00 24.88 115 A 1 ATOM 912 C CA . HIS A 1 115 ? 11.194 -3.466 -23.710 1.00 28.13 115 A 1 ATOM 913 C C . HIS A 1 115 ? 9.827 -3.396 -23.024 1.00 27.68 115 A 1 ATOM 914 O O . HIS A 1 115 ? 9.489 -4.207 -22.169 1.00 26.59 115 A 1 ATOM 915 C CB . HIS A 1 115 ? 11.582 -4.879 -24.175 1.00 28.09 115 A 1 ATOM 916 C CG . HIS A 1 115 ? 12.164 -4.860 -25.569 1.00 26.05 115 A 1 ATOM 917 N ND1 . HIS A 1 115 ? 11.458 -5.072 -26.729 1.00 23.80 115 A 1 ATOM 918 C CD2 . HIS A 1 115 ? 13.458 -4.593 -25.925 1.00 23.31 115 A 1 ATOM 919 C CE1 . HIS A 1 115 ? 12.312 -4.938 -27.761 1.00 23.97 115 A 1 ATOM 920 N NE2 . HIS A 1 115 ? 13.540 -4.638 -27.322 1.00 24.69 115 A 1 ATOM 921 N N . VAL A 1 116 ? 9.012 -2.420 -23.447 1.00 23.44 116 A 1 ATOM 922 C CA . VAL A 1 116 ? 7.560 -2.504 -23.288 1.00 26.74 116 A 1 ATOM 923 C C . VAL A 1 116 ? 7.074 -3.542 -24.300 1.00 26.86 116 A 1 ATOM 924 O O . VAL A 1 116 ? 6.753 -3.222 -25.438 1.00 26.17 116 A 1 ATOM 925 C CB . VAL A 1 116 ? 6.868 -1.138 -23.475 1.00 26.18 116 A 1 ATOM 926 C CG1 . VAL A 1 116 ? 5.361 -1.240 -23.191 1.00 22.90 116 A 1 ATOM 927 C CG2 . VAL A 1 116 ? 7.450 -0.078 -22.528 1.00 23.59 116 A 1 ATOM 928 N N . SER A 1 117 ? 7.072 -4.803 -23.906 1.00 24.43 117 A 1 ATOM 929 C CA . SER A 1 117 ? 6.358 -5.826 -24.661 1.00 27.37 117 A 1 ATOM 930 C C . SER A 1 117 ? 4.865 -5.653 -24.394 1.00 26.69 117 A 1 ATOM 931 O O . SER A 1 117 ? 4.330 -6.138 -23.398 1.00 26.34 117 A 1 ATOM 932 C CB . SER A 1 117 ? 6.844 -7.235 -24.312 1.00 28.11 117 A 1 ATOM 933 O OG . SER A 1 117 ? 8.197 -7.380 -24.698 1.00 25.87 117 A 1 ATOM 934 N N . LEU A 1 118 ? 4.196 -4.942 -25.298 1.00 21.91 118 A 1 ATOM 935 C CA . LEU A 1 118 ? 2.771 -5.091 -25.556 1.00 25.58 118 A 1 ATOM 936 C C . LEU A 1 118 ? 2.532 -6.568 -25.901 1.00 25.39 118 A 1 ATOM 937 O O . LEU A 1 118 ? 2.708 -6.988 -27.044 1.00 24.70 118 A 1 ATOM 938 C CB . LEU A 1 118 ? 2.370 -4.155 -26.722 1.00 25.27 118 A 1 ATOM 939 C CG . LEU A 1 118 ? 1.776 -2.809 -26.269 1.00 23.27 118 A 1 ATOM 940 C CD1 . LEU A 1 118 ? 2.299 -1.656 -27.119 1.00 21.74 118 A 1 ATOM 941 C CD2 . LEU A 1 118 ? 0.251 -2.837 -26.392 1.00 22.16 118 A 1 ATOM 942 N N . LEU A 1 119 ? 2.168 -7.367 -24.896 1.00 24.11 119 A 1 ATOM 943 C CA . LEU A 1 119 ? 1.543 -8.660 -25.155 1.00 28.18 119 A 1 ATOM 944 C C . LEU A 1 119 ? 0.147 -8.367 -25.691 1.00 27.46 119 A 1 ATOM 945 O O . LEU A 1 119 ? -0.810 -8.180 -24.946 1.00 26.91 119 A 1 ATOM 946 C CB . LEU A 1 119 ? 1.578 -9.554 -23.904 1.00 28.52 119 A 1 ATOM 947 C CG . LEU A 1 119 ? 2.909 -10.317 -23.772 1.00 26.49 119 A 1 ATOM 948 C CD1 . LEU A 1 119 ? 3.056 -10.882 -22.359 1.00 24.90 119 A 1 ATOM 949 C CD2 . LEU A 1 119 ? 2.991 -11.496 -24.753 1.00 25.90 119 A 1 ATOM 950 N N . GLY A 1 120 ? 0.102 -8.234 -27.016 1.00 23.56 120 A 1 ATOM 951 C CA . GLY A 1 120 ? -1.113 -8.111 -27.788 1.00 27.52 120 A 1 ATOM 952 C C . GLY A 1 120 ? -2.039 -9.283 -27.503 1.00 27.27 120 A 1 ATOM 953 O O . GLY A 1 120 ? -1.643 -10.447 -27.554 1.00 26.02 120 A 1 ATOM 954 N N . ILE A 1 121 ? -3.282 -8.928 -27.228 1.00 20.46 121 A 1 ATOM 955 C CA . ILE A 1 121 ? -4.434 -9.809 -27.323 1.00 23.99 121 A 1 ATOM 956 C C . ILE A 1 121 ? -4.513 -10.239 -28.795 1.00 23.87 121 A 1 ATOM 957 O O . ILE A 1 121 ? -4.981 -9.491 -29.645 1.00 22.90 121 A 1 ATOM 958 C CB . ILE A 1 121 ? -5.698 -9.050 -26.865 1.00 22.77 121 A 1 ATOM 959 C CG1 . ILE A 1 121 ? -5.535 -8.495 -25.426 1.00 20.70 121 A 1 ATOM 960 C CG2 . ILE A 1 121 ? -6.935 -9.963 -26.956 1.00 21.19 121 A 1 ATOM 961 C CD1 . ILE A 1 121 ? -6.600 -7.461 -25.039 1.00 18.96 121 A 1 ATOM 962 N N . SER A 1 122 ? -3.985 -11.415 -29.116 1.00 21.60 122 A 1 ATOM 963 C CA . SER A 1 122 ? -4.166 -12.063 -30.413 1.00 27.95 122 A 1 ATOM 964 C C . SER A 1 122 ? -4.932 -13.350 -30.173 1.00 27.23 122 A 1 ATOM 965 O O . SER A 1 122 ? -4.338 -14.348 -29.767 1.00 26.78 122 A 1 ATOM 966 C CB . SER A 1 122 ? -2.830 -12.339 -31.107 1.00 27.95 122 A 1 ATOM 967 O OG . SER A 1 122 ? -2.176 -11.129 -31.414 1.00 25.17 122 A 1 ATOM 968 N N . SER A 1 123 ? -6.242 -13.275 -30.377 1.00 19.84 123 A 1 ATOM 969 C CA . SER A 1 123 ? -7.110 -14.285 -31.011 1.00 26.31 123 A 1 ATOM 970 C C . SER A 1 123 ? -8.549 -14.118 -30.538 1.00 25.81 123 A 1 ATOM 971 O O . SER A 1 123 ? -8.973 -14.707 -29.547 1.00 24.92 123 A 1 ATOM 972 C CB . SER A 1 123 ? -6.696 -15.751 -30.794 1.00 25.74 123 A 1 ATOM 973 O OG . SER A 1 123 ? -5.571 -16.031 -31.589 1.00 22.79 123 A 1 ATOM 974 N N . LEU A 1 124 ? -9.297 -13.318 -31.291 1.00 19.40 124 A 1 ATOM 975 C CA . LEU A 1 124 ? -10.744 -13.436 -31.430 1.00 27.61 124 A 1 ATOM 976 C C . LEU A 1 124 ? -11.129 -12.834 -32.791 1.00 27.33 124 A 1 ATOM 977 O O . LEU A 1 124 ? -11.657 -11.736 -32.867 1.00 26.42 124 A 1 ATOM 978 C CB . LEU A 1 124 ? -11.481 -12.819 -30.222 1.00 27.30 124 A 1 ATOM 979 C CG . LEU A 1 124 ? -12.217 -13.869 -29.363 1.00 25.41 124 A 1 ATOM 980 C CD1 . LEU A 1 124 ? -12.554 -13.278 -27.997 1.00 24.37 124 A 1 ATOM 981 C CD2 . LEU A 1 124 ? -13.520 -14.344 -30.014 1.00 25.77 124 A 1 ATOM 982 N N . VAL A 1 125 ? -10.770 -13.558 -33.858 1.00 24.47 125 A 1 ATOM 983 C CA . VAL A 1 125 ? -11.497 -13.697 -35.132 1.00 30.69 125 A 1 ATOM 984 C C . VAL A 1 125 ? -11.157 -15.086 -35.654 1.00 28.81 125 A 1 ATOM 985 O O . VAL A 1 125 ? -9.954 -15.411 -35.688 1.00 25.95 125 A 1 ATOM 986 C CB . VAL A 1 125 ? -11.159 -12.638 -36.198 1.00 28.42 125 A 1 ATOM 987 C CG1 . VAL A 1 125 ? -12.111 -12.805 -37.397 1.00 24.89 125 A 1 ATOM 988 C CG2 . VAL A 1 125 ? -11.315 -11.199 -35.707 1.00 27.95 125 A 1 ATOM 989 O OXT . VAL A 1 125 ? -12.130 -15.793 -36.015 1.00 26.17 125 A 1 #