# 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_tad6 # _entry.id tad6 # 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 LYS 2 1 n MET 3 1 n TYR 4 1 n VAL 5 1 n LYS 6 1 n ALA 7 1 n VAL 8 1 n LEU 9 1 n SER 10 1 n VAL 11 1 n ARG 12 1 n ARG 13 1 n TYR 14 1 n LYS 15 1 n ALA 16 1 n GLY 17 1 n TYR 18 1 n GLU 19 1 n VAL 20 1 n ARG 21 1 n GLU 22 1 n GLU 23 1 n LEU 24 1 n VAL 25 1 n ALA 26 1 n GLY 27 1 n ASN 28 1 n GLN 29 1 n PHE 30 1 n ASP 31 1 n MET 32 1 n ASP 33 1 n ASP 34 1 n ILE 35 1 n LYS 36 1 n VAL 37 1 n LYS 38 1 n THR 39 1 n ALA 40 1 n TYR 41 1 n THR 42 1 n PRO 43 1 n ASP 44 1 n GLY 45 1 n HIS 46 1 n TYR 47 1 n ILE 48 1 n GLY 49 1 n ASP 50 1 n SER 51 1 n LYS 52 1 n THR 53 1 n ALA 54 1 n TYR 55 1 n ARG 56 1 n LEU 57 1 n CYS 58 1 n LYS 59 1 n LYS 60 1 n ARG 61 1 n GLY 62 1 n ILE 63 1 n LYS 64 1 n PRO 65 1 n GLU 66 1 n PRO 67 1 n ILE 68 1 n ASP 69 1 n SER 70 1 n GLU 71 1 n HIS 72 1 n ASN 73 1 n VAL 74 1 n CYS 75 1 n SER 76 1 n ILE 77 1 n GLY 78 1 n PHE 79 1 n CYS 80 1 n GLU 81 1 n LYS 82 1 n GLU 83 1 n GLN 84 1 n LYS 85 1 n TRP 86 1 n TYR 87 1 n GLY 88 1 n TRP 89 1 n SER 90 1 n HIS 91 1 n ARG 92 1 n ALA 93 1 n ILE 94 1 n TYR 95 1 n GLY 96 1 n PHE 97 1 n GLY 98 1 n ILE 99 1 n GLY 100 1 n SER 101 1 n THR 102 1 n CYS 103 1 n LYS 104 1 n LYS 105 1 n GLY 106 1 n ASP 107 1 n CYS 108 1 n HIS 109 1 n TYR 110 1 n VAL 111 1 n PRO 112 1 n THR 113 1 n SER 114 1 n PHE 115 1 n GLU 116 1 n GLU 117 1 n ILE 118 1 n GLN 119 1 n VAL 120 1 n ASP 121 1 n CYS 122 1 n TYR 123 1 n ALA 124 1 n LYS 125 1 n GLU 126 1 n GLU 127 1 n ASP 128 1 n ASP 129 1 n CYS 130 1 n VAL 131 1 n ALA 132 1 n ASN 133 1 n CYS 134 1 n THR 135 1 n VAL 136 1 n ALA 137 1 n LEU 138 1 n GLU 139 1 n PRO 140 1 n VAL 141 1 n ASN 142 1 n PRO 143 1 n ASP 144 1 n GLU 145 1 n PRO 146 1 n GLU 147 1 n ARG 148 1 n VAL 149 1 n GLN 150 1 n ARG 151 1 n ALA 152 1 n ILE 153 1 n PRO 154 1 n ASP 155 1 n SER 156 1 n GLU 157 1 n GLU 158 1 n GLY 159 1 n ARG 160 1 n CYS 161 1 n VAL 162 1 n CYS 163 1 n ALA 164 1 n GLN 165 1 n GLU 166 1 n ASN 167 1 n CYS 168 1 n VAL 169 1 n PHE 170 1 n GLU 171 1 n VAL 172 1 n GLY 173 1 n ARG 174 1 n GLY 175 1 n GLU 176 1 n TRP 177 1 n VAL 178 1 n ALA 179 1 n LYS 180 1 n THR 181 1 n LEU 182 1 n ASP 183 1 n ASP 184 1 n ALA 185 1 n LYS 186 1 n GLN 187 1 n MET 188 1 n ALA 189 1 n VAL 190 1 n ASP 191 1 n PHE 192 1 n ALA 193 1 n LYS 194 1 n SER 195 1 n VAL 196 1 n ALA 197 # _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 01:36:08)" _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 77.26 _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 59.02 1 1 A LYS 2 2 69.13 1 2 A MET 3 2 77.55 1 3 A TYR 4 2 74.56 1 4 A VAL 5 2 91.11 1 5 A LYS 6 2 90.44 1 6 A ALA 7 2 95.83 1 7 A VAL 8 2 95.88 1 8 A LEU 9 2 96.14 1 9 A SER 10 2 97.05 1 10 A VAL 11 2 96.76 1 11 A ARG 12 2 83.80 1 12 A ARG 13 2 89.53 1 13 A TYR 14 2 96.74 1 14 A LYS 15 2 90.08 1 15 A ALA 16 2 96.42 1 16 A GLY 17 2 96.81 1 17 A TYR 18 2 98.00 1 18 A GLU 19 2 94.12 1 19 A VAL 20 2 97.64 1 20 A ARG 21 2 95.02 1 21 A GLU 22 2 92.27 1 22 A GLU 23 2 94.15 1 23 A LEU 24 2 94.45 1 24 A VAL 25 2 93.65 1 25 A ALA 26 2 93.21 1 26 A GLY 27 2 91.96 1 27 A ASN 28 2 84.78 1 28 A GLN 29 2 76.97 1 29 A PHE 30 2 81.94 1 30 A ASP 31 2 86.85 1 31 A MET 32 2 86.47 1 32 A ASP 33 2 91.43 1 33 A ASP 34 2 93.52 1 34 A ILE 35 2 90.09 1 35 A LYS 36 2 91.93 1 36 A VAL 37 2 92.40 1 37 A LYS 38 2 91.95 1 38 A THR 39 2 92.47 1 39 A ALA 40 2 97.45 1 40 A TYR 41 2 96.12 1 41 A THR 42 2 97.10 1 42 A PRO 43 2 96.13 1 43 A ASP 44 2 90.71 1 44 A GLY 45 2 94.96 1 45 A HIS 46 2 93.23 1 46 A TYR 47 2 92.20 1 47 A ILE 48 2 96.89 1 48 A GLY 49 2 96.01 1 49 A ASP 50 2 93.67 1 50 A SER 51 2 94.18 1 51 A LYS 52 2 88.35 1 52 A THR 53 2 96.24 1 53 A ALA 54 2 97.95 1 54 A TYR 55 2 96.70 1 55 A ARG 56 2 81.93 1 56 A LEU 57 2 97.72 1 57 A CYS 58 2 98.18 1 58 A LYS 59 2 93.07 1 59 A LYS 60 2 90.22 1 60 A ARG 61 2 89.67 1 61 A GLY 62 2 97.99 1 62 A ILE 63 2 98.07 1 63 A LYS 64 2 88.76 1 64 A PRO 65 2 98.05 1 65 A GLU 66 2 93.46 1 66 A PRO 67 2 96.38 1 67 A ILE 68 2 89.25 1 68 A ASP 69 2 90.10 1 69 A SER 70 2 91.18 1 70 A GLU 71 2 82.17 1 71 A HIS 72 2 86.35 1 72 A ASN 73 2 82.76 1 73 A VAL 74 2 93.91 1 74 A CYS 75 2 96.92 1 75 A SER 76 2 96.33 1 76 A ILE 77 2 96.95 1 77 A GLY 78 2 98.41 1 78 A PHE 79 2 97.25 1 79 A CYS 80 2 98.14 1 80 A GLU 81 2 88.78 1 81 A LYS 82 2 88.93 1 82 A GLU 83 2 94.66 1 83 A GLN 84 2 95.67 1 84 A LYS 85 2 95.61 1 85 A TRP 86 2 97.58 1 86 A TYR 87 2 97.24 1 87 A GLY 88 2 96.76 1 88 A TRP 89 2 96.38 1 89 A SER 90 2 90.95 1 90 A HIS 91 2 78.92 1 91 A ARG 92 2 74.67 1 92 A ALA 93 2 92.75 1 93 A ILE 94 2 94.96 1 94 A TYR 95 2 92.77 1 95 A GLY 96 2 97.33 1 96 A PHE 97 2 95.97 1 97 A GLY 98 2 97.35 1 98 A ILE 99 2 96.66 1 99 A GLY 100 2 96.02 1 100 A SER 101 2 95.59 1 101 A THR 102 2 92.14 1 102 A CYS 103 2 91.18 1 103 A LYS 104 2 81.50 1 104 A LYS 105 2 77.89 1 105 A GLY 106 2 82.55 1 106 A ASP 107 2 84.20 1 107 A CYS 108 2 83.05 1 108 A HIS 109 2 85.34 1 109 A TYR 110 2 80.11 1 110 A VAL 111 2 79.54 1 111 A PRO 112 2 78.17 1 112 A THR 113 2 76.99 1 113 A SER 114 2 70.41 1 114 A PHE 115 2 61.67 1 115 A GLU 116 2 60.43 1 116 A GLU 117 2 69.43 1 117 A ILE 118 2 70.31 1 118 A GLN 119 2 58.81 1 119 A VAL 120 2 64.10 1 120 A ASP 121 2 55.97 1 121 A CYS 122 2 52.50 1 122 A TYR 123 2 36.48 1 123 A ALA 124 2 35.43 1 124 A LYS 125 2 38.20 1 125 A GLU 126 2 35.78 1 126 A GLU 127 2 41.38 1 127 A ASP 128 2 32.59 1 128 A ASP 129 2 35.73 1 129 A CYS 130 2 37.72 1 130 A VAL 131 2 42.16 1 131 A ALA 132 2 47.02 1 132 A ASN 133 2 40.38 1 133 A CYS 134 2 38.31 1 134 A THR 135 2 39.99 1 135 A VAL 136 2 40.83 1 136 A ALA 137 2 42.15 1 137 A LEU 138 2 41.49 1 138 A GLU 139 2 39.59 1 139 A PRO 140 2 40.32 1 140 A VAL 141 2 43.45 1 141 A ASN 142 2 43.98 1 142 A PRO 143 2 49.76 1 143 A ASP 144 2 51.92 1 144 A GLU 145 2 43.21 1 145 A PRO 146 2 45.47 1 146 A GLU 147 2 40.33 1 147 A ARG 148 2 32.82 1 148 A VAL 149 2 35.69 1 149 A GLN 150 2 30.33 1 150 A ARG 151 2 32.29 1 151 A ALA 152 2 40.17 1 152 A ILE 153 2 38.02 1 153 A PRO 154 2 37.06 1 154 A ASP 155 2 39.22 1 155 A SER 156 2 36.73 1 156 A GLU 157 2 33.38 1 157 A GLU 158 2 34.54 1 158 A GLY 159 2 36.36 1 159 A ARG 160 2 33.60 1 160 A CYS 161 2 42.10 1 161 A VAL 162 2 46.49 1 162 A CYS 163 2 52.68 1 163 A ALA 164 2 54.06 1 164 A GLN 165 2 55.09 1 165 A GLU 166 2 47.16 1 166 A ASN 167 2 44.95 1 167 A CYS 168 2 55.38 1 168 A VAL 169 2 55.01 1 169 A PHE 170 2 61.13 1 170 A GLU 171 2 63.29 1 171 A VAL 172 2 70.85 1 172 A GLY 173 2 81.84 1 173 A ARG 174 2 74.14 1 174 A GLY 175 2 85.72 1 175 A GLU 176 2 82.24 1 176 A TRP 177 2 88.26 1 177 A VAL 178 2 92.51 1 178 A ALA 179 2 95.78 1 179 A LYS 180 2 91.16 1 180 A THR 181 2 96.59 1 181 A LEU 182 2 96.73 1 182 A ASP 183 2 94.33 1 183 A ASP 184 2 94.00 1 184 A ALA 185 2 96.53 1 185 A LYS 186 2 95.66 1 186 A GLN 187 2 90.65 1 187 A MET 188 2 94.29 1 188 A ALA 189 2 95.79 1 189 A VAL 190 2 94.16 1 190 A ASP 191 2 91.22 1 191 A PHE 192 2 92.40 1 192 A ALA 193 2 92.85 1 193 A LYS 194 2 86.27 1 194 A SER 195 2 84.35 1 195 A VAL 196 2 85.62 1 196 A ALA 197 2 80.83 1 197 # _ma_software_group.group_id 1 _ma_software_group.ordinal_id 1 _ma_software_group.software_id 1 # _ma_target_entity.data_id 1 _ma_target_entity.entity_id 1 _ma_target_entity.origin . # _ma_target_entity_instance.asym_id A _ma_target_entity_instance.details . _ma_target_entity_instance.entity_id 1 # loop_ _pdbx_data_usage.details _pdbx_data_usage.id _pdbx_data_usage.type _pdbx_data_usage.url ;Non-commercial use only, by using this file you agree to the terms of use found at https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md. To request access to the AlphaFold 3 model parameters, follow the process set out at https://github.com/google-deepmind/alphafold3. You may only use these if received directly from Google. Use is subject to terms of use available at https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md. ; 1 license https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md ;AlphaFold 3 and its output are not intended for, have not been validated for, and are not approved for clinical use. They are provided "as-is" without any warranty of any kind, whether expressed or implied. No warranty is given that use shall not infringe the rights of any third party. ; 2 disclaimer ? # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.hetero _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.seq_id A 1 1 n MET . 1 A 1 A 2 1 n LYS . 2 A 2 A 3 1 n MET . 3 A 3 A 4 1 n TYR . 4 A 4 A 5 1 n VAL . 5 A 5 A 6 1 n LYS . 6 A 6 A 7 1 n ALA . 7 A 7 A 8 1 n VAL . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n SER . 10 A 10 A 11 1 n VAL . 11 A 11 A 12 1 n ARG . 12 A 12 A 13 1 n ARG . 13 A 13 A 14 1 n TYR . 14 A 14 A 15 1 n LYS . 15 A 15 A 16 1 n ALA . 16 A 16 A 17 1 n GLY . 17 A 17 A 18 1 n TYR . 18 A 18 A 19 1 n GLU . 19 A 19 A 20 1 n VAL . 20 A 20 A 21 1 n ARG . 21 A 21 A 22 1 n GLU . 22 A 22 A 23 1 n GLU . 23 A 23 A 24 1 n LEU . 24 A 24 A 25 1 n VAL . 25 A 25 A 26 1 n ALA . 26 A 26 A 27 1 n GLY . 27 A 27 A 28 1 n ASN . 28 A 28 A 29 1 n GLN . 29 A 29 A 30 1 n PHE . 30 A 30 A 31 1 n ASP . 31 A 31 A 32 1 n MET . 32 A 32 A 33 1 n ASP . 33 A 33 A 34 1 n ASP . 34 A 34 A 35 1 n ILE . 35 A 35 A 36 1 n LYS . 36 A 36 A 37 1 n VAL . 37 A 37 A 38 1 n LYS . 38 A 38 A 39 1 n THR . 39 A 39 A 40 1 n ALA . 40 A 40 A 41 1 n TYR . 41 A 41 A 42 1 n THR . 42 A 42 A 43 1 n PRO . 43 A 43 A 44 1 n ASP . 44 A 44 A 45 1 n GLY . 45 A 45 A 46 1 n HIS . 46 A 46 A 47 1 n TYR . 47 A 47 A 48 1 n ILE . 48 A 48 A 49 1 n GLY . 49 A 49 A 50 1 n ASP . 50 A 50 A 51 1 n SER . 51 A 51 A 52 1 n LYS . 52 A 52 A 53 1 n THR . 53 A 53 A 54 1 n ALA . 54 A 54 A 55 1 n TYR . 55 A 55 A 56 1 n ARG . 56 A 56 A 57 1 n LEU . 57 A 57 A 58 1 n CYS . 58 A 58 A 59 1 n LYS . 59 A 59 A 60 1 n LYS . 60 A 60 A 61 1 n ARG . 61 A 61 A 62 1 n GLY . 62 A 62 A 63 1 n ILE . 63 A 63 A 64 1 n LYS . 64 A 64 A 65 1 n PRO . 65 A 65 A 66 1 n GLU . 66 A 66 A 67 1 n PRO . 67 A 67 A 68 1 n ILE . 68 A 68 A 69 1 n ASP . 69 A 69 A 70 1 n SER . 70 A 70 A 71 1 n GLU . 71 A 71 A 72 1 n HIS . 72 A 72 A 73 1 n ASN . 73 A 73 A 74 1 n VAL . 74 A 74 A 75 1 n CYS . 75 A 75 A 76 1 n SER . 76 A 76 A 77 1 n ILE . 77 A 77 A 78 1 n GLY . 78 A 78 A 79 1 n PHE . 79 A 79 A 80 1 n CYS . 80 A 80 A 81 1 n GLU . 81 A 81 A 82 1 n LYS . 82 A 82 A 83 1 n GLU . 83 A 83 A 84 1 n GLN . 84 A 84 A 85 1 n LYS . 85 A 85 A 86 1 n TRP . 86 A 86 A 87 1 n TYR . 87 A 87 A 88 1 n GLY . 88 A 88 A 89 1 n TRP . 89 A 89 A 90 1 n SER . 90 A 90 A 91 1 n HIS . 91 A 91 A 92 1 n ARG . 92 A 92 A 93 1 n ALA . 93 A 93 A 94 1 n ILE . 94 A 94 A 95 1 n TYR . 95 A 95 A 96 1 n GLY . 96 A 96 A 97 1 n PHE . 97 A 97 A 98 1 n GLY . 98 A 98 A 99 1 n ILE . 99 A 99 A 100 1 n GLY . 100 A 100 A 101 1 n SER . 101 A 101 A 102 1 n THR . 102 A 102 A 103 1 n CYS . 103 A 103 A 104 1 n LYS . 104 A 104 A 105 1 n LYS . 105 A 105 A 106 1 n GLY . 106 A 106 A 107 1 n ASP . 107 A 107 A 108 1 n CYS . 108 A 108 A 109 1 n HIS . 109 A 109 A 110 1 n TYR . 110 A 110 A 111 1 n VAL . 111 A 111 A 112 1 n PRO . 112 A 112 A 113 1 n THR . 113 A 113 A 114 1 n SER . 114 A 114 A 115 1 n PHE . 115 A 115 A 116 1 n GLU . 116 A 116 A 117 1 n GLU . 117 A 117 A 118 1 n ILE . 118 A 118 A 119 1 n GLN . 119 A 119 A 120 1 n VAL . 120 A 120 A 121 1 n ASP . 121 A 121 A 122 1 n CYS . 122 A 122 A 123 1 n TYR . 123 A 123 A 124 1 n ALA . 124 A 124 A 125 1 n LYS . 125 A 125 A 126 1 n GLU . 126 A 126 A 127 1 n GLU . 127 A 127 A 128 1 n ASP . 128 A 128 A 129 1 n ASP . 129 A 129 A 130 1 n CYS . 130 A 130 A 131 1 n VAL . 131 A 131 A 132 1 n ALA . 132 A 132 A 133 1 n ASN . 133 A 133 A 134 1 n CYS . 134 A 134 A 135 1 n THR . 135 A 135 A 136 1 n VAL . 136 A 136 A 137 1 n ALA . 137 A 137 A 138 1 n LEU . 138 A 138 A 139 1 n GLU . 139 A 139 A 140 1 n PRO . 140 A 140 A 141 1 n VAL . 141 A 141 A 142 1 n ASN . 142 A 142 A 143 1 n PRO . 143 A 143 A 144 1 n ASP . 144 A 144 A 145 1 n GLU . 145 A 145 A 146 1 n PRO . 146 A 146 A 147 1 n GLU . 147 A 147 A 148 1 n ARG . 148 A 148 A 149 1 n VAL . 149 A 149 A 150 1 n GLN . 150 A 150 A 151 1 n ARG . 151 A 151 A 152 1 n ALA . 152 A 152 A 153 1 n ILE . 153 A 153 A 154 1 n PRO . 154 A 154 A 155 1 n ASP . 155 A 155 A 156 1 n SER . 156 A 156 A 157 1 n GLU . 157 A 157 A 158 1 n GLU . 158 A 158 A 159 1 n GLY . 159 A 159 A 160 1 n ARG . 160 A 160 A 161 1 n CYS . 161 A 161 A 162 1 n VAL . 162 A 162 A 163 1 n CYS . 163 A 163 A 164 1 n ALA . 164 A 164 A 165 1 n GLN . 165 A 165 A 166 1 n GLU . 166 A 166 A 167 1 n ASN . 167 A 167 A 168 1 n CYS . 168 A 168 A 169 1 n VAL . 169 A 169 A 170 1 n PHE . 170 A 170 A 171 1 n GLU . 171 A 171 A 172 1 n VAL . 172 A 172 A 173 1 n GLY . 173 A 173 A 174 1 n ARG . 174 A 174 A 175 1 n GLY . 175 A 175 A 176 1 n GLU . 176 A 176 A 177 1 n TRP . 177 A 177 A 178 1 n VAL . 178 A 178 A 179 1 n ALA . 179 A 179 A 180 1 n LYS . 180 A 180 A 181 1 n THR . 181 A 181 A 182 1 n LEU . 182 A 182 A 183 1 n ASP . 183 A 183 A 184 1 n ASP . 184 A 184 A 185 1 n ALA . 185 A 185 A 186 1 n LYS . 186 A 186 A 187 1 n GLN . 187 A 187 A 188 1 n MET . 188 A 188 A 189 1 n ALA . 189 A 189 A 190 1 n VAL . 190 A 190 A 191 1 n ASP . 191 A 191 A 192 1 n PHE . 192 A 192 A 193 1 n ALA . 193 A 193 A 194 1 n LYS . 194 A 194 A 195 1 n SER . 195 A 195 A 196 1 n VAL . 196 A 196 A 197 1 n ALA . 197 A 197 # _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 ? 14.470 -2.333 1.541 1.00 58.70 1 A 1 ATOM 2 C CA . MET A 1 1 ? 15.734 -3.115 1.546 1.00 65.86 1 A 1 ATOM 3 C C . MET A 1 1 ? 15.397 -4.550 1.947 1.00 70.36 1 A 1 ATOM 4 O O . MET A 1 1 ? 14.783 -4.728 2.993 1.00 66.17 1 A 1 ATOM 5 C CB . MET A 1 1 ? 16.735 -2.460 2.511 1.00 61.85 1 A 1 ATOM 6 C CG . MET A 1 1 ? 18.178 -2.914 2.276 1.00 53.86 1 A 1 ATOM 7 S SD . MET A 1 1 ? 19.381 -1.806 3.049 1.00 49.76 1 A 1 ATOM 8 C CE . MET A 1 1 ? 19.529 -2.534 4.693 1.00 45.60 1 A 1 ATOM 9 N N . LYS A 1 2 ? 15.682 -5.577 1.121 1.00 74.00 2 A 1 ATOM 10 C CA . LYS A 1 2 ? 15.405 -6.990 1.469 1.00 78.89 2 A 1 ATOM 11 C C . LYS A 1 2 ? 16.477 -7.477 2.452 1.00 82.50 2 A 1 ATOM 12 O O . LYS A 1 2 ? 17.659 -7.389 2.138 1.00 80.26 2 A 1 ATOM 13 C CB . LYS A 1 2 ? 15.344 -7.884 0.216 1.00 73.51 2 A 1 ATOM 14 C CG . LYS A 1 2 ? 13.997 -7.805 -0.531 1.00 65.23 2 A 1 ATOM 15 C CD . LYS A 1 2 ? 13.937 -8.716 -1.779 1.00 63.20 2 A 1 ATOM 16 C CE . LYS A 1 2 ? 12.548 -8.639 -2.437 1.00 55.79 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? 12.436 -9.382 -3.725 1.00 48.80 2 A 1 ATOM 18 N N . MET A 1 3 ? 16.077 -7.987 3.629 1.00 80.47 3 A 1 ATOM 19 C CA . MET A 1 3 ? 16.995 -8.653 4.559 1.00 83.59 3 A 1 ATOM 20 C C . MET A 1 3 ? 17.483 -9.967 3.944 1.00 86.24 3 A 1 ATOM 21 O O . MET A 1 3 ? 16.674 -10.753 3.452 1.00 84.35 3 A 1 ATOM 22 C CB . MET A 1 3 ? 16.313 -8.919 5.908 1.00 79.87 3 A 1 ATOM 23 C CG . MET A 1 3 ? 16.068 -7.635 6.704 1.00 73.05 3 A 1 ATOM 24 S SD . MET A 1 3 ? 15.472 -7.900 8.403 1.00 70.27 3 A 1 ATOM 25 C CE . MET A 1 3 ? 13.799 -8.527 8.094 1.00 62.54 3 A 1 ATOM 26 N N . TYR A 1 4 ? 18.797 -10.225 3.973 1.00 86.99 4 A 1 ATOM 27 C CA . TYR A 1 4 ? 19.362 -11.476 3.480 1.00 89.57 4 A 1 ATOM 28 C C . TYR A 1 4 ? 19.354 -12.528 4.593 1.00 92.00 4 A 1 ATOM 29 O O . TYR A 1 4 ? 20.104 -12.428 5.566 1.00 91.21 4 A 1 ATOM 30 C CB . TYR A 1 4 ? 20.761 -11.233 2.906 1.00 86.55 4 A 1 ATOM 31 C CG . TYR A 1 4 ? 21.381 -12.488 2.322 1.00 76.12 4 A 1 ATOM 32 C CD1 . TYR A 1 4 ? 22.365 -13.196 3.044 1.00 70.31 4 A 1 ATOM 33 C CD2 . TYR A 1 4 ? 20.958 -12.970 1.065 1.00 67.42 4 A 1 ATOM 34 C CE1 . TYR A 1 4 ? 22.930 -14.370 2.507 1.00 60.18 4 A 1 ATOM 35 C CE2 . TYR A 1 4 ? 21.514 -14.147 0.528 1.00 60.32 4 A 1 ATOM 36 C CZ . TYR A 1 4 ? 22.505 -14.846 1.247 1.00 58.76 4 A 1 ATOM 37 O OH . TYR A 1 4 ? 23.052 -15.980 0.731 1.00 55.24 4 A 1 ATOM 38 N N . VAL A 1 5 ? 18.489 -13.546 4.451 1.00 92.24 5 A 1 ATOM 39 C CA . VAL A 1 5 ? 18.386 -14.679 5.380 1.00 92.45 5 A 1 ATOM 40 C C . VAL A 1 5 ? 19.434 -15.727 5.008 1.00 92.81 5 A 1 ATOM 41 O O . VAL A 1 5 ? 19.370 -16.307 3.929 1.00 91.05 5 A 1 ATOM 42 C CB . VAL A 1 5 ? 16.963 -15.270 5.376 1.00 91.43 5 A 1 ATOM 43 C CG1 . VAL A 1 5 ? 16.858 -16.466 6.331 1.00 88.99 5 A 1 ATOM 44 C CG2 . VAL A 1 5 ? 15.928 -14.222 5.802 1.00 88.80 5 A 1 ATOM 45 N N . LYS A 1 6 ? 20.385 -15.989 5.914 1.00 93.99 6 A 1 ATOM 46 C CA . LYS A 1 6 ? 21.420 -17.023 5.746 1.00 94.29 6 A 1 ATOM 47 C C . LYS A 1 6 ? 20.881 -18.425 6.010 1.00 95.35 6 A 1 ATOM 48 O O . LYS A 1 6 ? 21.263 -19.371 5.326 1.00 94.46 6 A 1 ATOM 49 C CB . LYS A 1 6 ? 22.606 -16.754 6.685 1.00 93.47 6 A 1 ATOM 50 C CG . LYS A 1 6 ? 23.424 -15.523 6.279 1.00 91.36 6 A 1 ATOM 51 C CD . LYS A 1 6 ? 24.686 -15.417 7.146 1.00 89.21 6 A 1 ATOM 52 C CE . LYS A 1 6 ? 25.556 -14.257 6.667 1.00 84.41 6 A 1 ATOM 53 N NZ . LYS A 1 6 ? 26.766 -14.095 7.505 1.00 77.39 6 A 1 ATOM 54 N N . ALA A 1 7 ? 20.021 -18.566 7.031 1.00 95.45 7 A 1 ATOM 55 C CA . ALA A 1 7 ? 19.462 -19.851 7.435 1.00 96.12 7 A 1 ATOM 56 C C . ALA A 1 7 ? 18.142 -19.682 8.197 1.00 96.72 7 A 1 ATOM 57 O O . ALA A 1 7 ? 17.979 -18.744 8.976 1.00 95.57 7 A 1 ATOM 58 C CB . ALA A 1 7 ? 20.489 -20.592 8.303 1.00 95.29 7 A 1 ATOM 59 N N . VAL A 1 8 ? 17.238 -20.660 8.040 1.00 96.55 8 A 1 ATOM 60 C CA . VAL A 1 8 ? 16.066 -20.837 8.907 1.00 96.74 8 A 1 ATOM 61 C C . VAL A 1 8 ? 16.446 -21.819 10.011 1.00 97.26 8 A 1 ATOM 62 O O . VAL A 1 8 ? 16.739 -22.978 9.736 1.00 96.48 8 A 1 ATOM 63 C CB . VAL A 1 8 ? 14.842 -21.324 8.113 1.00 95.89 8 A 1 ATOM 64 C CG1 . VAL A 1 8 ? 13.625 -21.478 9.030 1.00 94.07 8 A 1 ATOM 65 C CG2 . VAL A 1 8 ? 14.476 -20.345 6.989 1.00 94.16 8 A 1 ATOM 66 N N . LEU A 1 9 ? 16.455 -21.359 11.268 1.00 97.00 9 A 1 ATOM 67 C CA . LEU A 1 9 ? 16.883 -22.133 12.437 1.00 97.28 9 A 1 ATOM 68 C C . LEU A 1 9 ? 15.744 -22.991 13.001 1.00 97.74 9 A 1 ATOM 69 O O . LEU A 1 9 ? 15.966 -24.108 13.459 1.00 96.76 9 A 1 ATOM 70 C CB . LEU A 1 9 ? 17.415 -21.174 13.515 1.00 97.07 9 A 1 ATOM 71 C CG . LEU A 1 9 ? 18.568 -20.252 13.076 1.00 96.23 9 A 1 ATOM 72 C CD1 . LEU A 1 9 ? 18.958 -19.347 14.243 1.00 93.37 9 A 1 ATOM 73 C CD2 . LEU A 1 9 ? 19.807 -21.039 12.634 1.00 93.65 9 A 1 ATOM 74 N N . SER A 1 10 ? 14.515 -22.467 12.993 1.00 97.81 10 A 1 ATOM 75 C CA . SER A 1 10 ? 13.319 -23.199 13.408 1.00 97.82 10 A 1 ATOM 76 C C . SER A 1 10 ? 12.055 -22.637 12.755 1.00 98.03 10 A 1 ATOM 77 O O . SER A 1 10 ? 11.995 -21.465 12.391 1.00 97.35 10 A 1 ATOM 78 C CB . SER A 1 10 ? 13.196 -23.214 14.937 1.00 97.05 10 A 1 ATOM 79 O OG . SER A 1 10 ? 12.831 -21.958 15.472 1.00 94.25 10 A 1 ATOM 80 N N . VAL A 1 11 ? 11.022 -23.481 12.630 1.00 97.57 11 A 1 ATOM 81 C CA . VAL A 1 11 ? 9.701 -23.105 12.111 1.00 97.65 11 A 1 ATOM 82 C C . VAL A 1 11 ? 8.627 -23.585 13.076 1.00 97.87 11 A 1 ATOM 83 O O . VAL A 1 11 ? 8.560 -24.765 13.420 1.00 97.22 11 A 1 ATOM 84 C CB . VAL A 1 11 ? 9.445 -23.668 10.699 1.00 96.99 11 A 1 ATOM 85 C CG1 . VAL A 1 11 ? 8.091 -23.189 10.155 1.00 94.95 11 A 1 ATOM 86 C CG2 . VAL A 1 11 ? 10.534 -23.246 9.711 1.00 95.04 11 A 1 ATOM 87 N N . ARG A 1 12 ? 7.742 -22.681 13.504 1.00 98.12 12 A 1 ATOM 88 C CA . ARG A 1 12 ? 6.565 -22.990 14.315 1.00 98.13 12 A 1 ATOM 89 C C . ARG A 1 12 ? 5.295 -22.599 13.570 1.00 98.39 12 A 1 ATOM 90 O O . ARG A 1 12 ? 5.033 -21.422 13.364 1.00 97.87 12 A 1 ATOM 91 C CB . ARG A 1 12 ? 6.690 -22.307 15.679 1.00 97.41 12 A 1 ATOM 92 C CG . ARG A 1 12 ? 5.527 -22.702 16.596 1.00 88.59 12 A 1 ATOM 93 C CD . ARG A 1 12 ? 5.738 -22.118 17.991 1.00 85.24 12 A 1 ATOM 94 N NE . ARG A 1 12 ? 4.667 -22.529 18.912 1.00 74.14 12 A 1 ATOM 95 C CZ . ARG A 1 12 ? 4.615 -22.288 20.209 1.00 66.63 12 A 1 ATOM 96 N NH1 . ARG A 1 12 ? 5.544 -21.605 20.815 1.00 59.32 12 A 1 ATOM 97 N NH2 . ARG A 1 12 ? 3.624 -22.737 20.927 1.00 57.98 12 A 1 ATOM 98 N N . ARG A 1 13 ? 4.464 -23.596 13.254 1.00 98.03 13 A 1 ATOM 99 C CA . ARG A 1 13 ? 3.164 -23.407 12.586 1.00 98.03 13 A 1 ATOM 100 C C . ARG A 1 13 ? 2.034 -23.229 13.599 1.00 98.19 13 A 1 ATOM 101 O O . ARG A 1 13 ? 1.983 -23.913 14.621 1.00 97.49 13 A 1 ATOM 102 C CB . ARG A 1 13 ? 2.894 -24.565 11.619 1.00 97.55 13 A 1 ATOM 103 C CG . ARG A 1 13 ? 3.925 -24.595 10.480 1.00 94.61 13 A 1 ATOM 104 C CD . ARG A 1 13 ? 3.636 -25.724 9.494 1.00 92.18 13 A 1 ATOM 105 N NE . ARG A 1 13 ? 4.629 -25.714 8.401 1.00 85.62 13 A 1 ATOM 106 C CZ . ARG A 1 13 ? 5.121 -26.753 7.750 1.00 78.79 13 A 1 ATOM 107 N NH1 . ARG A 1 13 ? 4.760 -27.979 8.003 1.00 72.55 13 A 1 ATOM 108 N NH2 . ARG A 1 13 ? 6.006 -26.558 6.816 1.00 71.80 13 A 1 ATOM 109 N N . TYR A 1 14 ? 1.116 -22.320 13.312 1.00 98.04 14 A 1 ATOM 110 C CA . TYR A 1 14 ? -0.027 -21.987 14.152 1.00 97.95 14 A 1 ATOM 111 C C . TYR A 1 14 ? -1.336 -22.345 13.446 1.00 97.86 14 A 1 ATOM 112 O O . TYR A 1 14 ? -1.520 -22.087 12.263 1.00 96.66 14 A 1 ATOM 113 C CB . TYR A 1 14 ? 0.020 -20.502 14.532 1.00 97.78 14 A 1 ATOM 114 C CG . TYR A 1 14 ? 1.173 -20.135 15.454 1.00 97.90 14 A 1 ATOM 115 C CD1 . TYR A 1 14 ? 0.978 -20.085 16.850 1.00 96.23 14 A 1 ATOM 116 C CD2 . TYR A 1 14 ? 2.445 -19.849 14.916 1.00 96.46 14 A 1 ATOM 117 C CE1 . TYR A 1 14 ? 2.044 -19.737 17.701 1.00 95.55 14 A 1 ATOM 118 C CE2 . TYR A 1 14 ? 3.515 -19.509 15.768 1.00 95.86 14 A 1 ATOM 119 C CZ . TYR A 1 14 ? 3.312 -19.447 17.162 1.00 96.07 14 A 1 ATOM 120 O OH . TYR A 1 14 ? 4.345 -19.111 17.982 1.00 94.57 14 A 1 ATOM 121 N N . LYS A 1 15 ? -2.308 -22.870 14.221 1.00 97.47 15 A 1 ATOM 122 C CA . LYS A 1 15 ? -3.656 -23.196 13.710 1.00 97.21 15 A 1 ATOM 123 C C . LYS A 1 15 ? -4.413 -21.988 13.135 1.00 97.46 15 A 1 ATOM 124 O O . LYS A 1 15 ? -5.404 -22.172 12.450 1.00 95.75 15 A 1 ATOM 125 C CB . LYS A 1 15 ? -4.509 -23.841 14.817 1.00 96.38 15 A 1 ATOM 126 C CG . LYS A 1 15 ? -3.982 -25.202 15.291 1.00 91.20 15 A 1 ATOM 127 C CD . LYS A 1 15 ? -4.972 -25.853 16.279 1.00 86.67 15 A 1 ATOM 128 C CE . LYS A 1 15 ? -4.472 -27.233 16.717 1.00 79.53 15 A 1 ATOM 129 N NZ . LYS A 1 15 ? -5.461 -27.949 17.571 1.00 69.07 15 A 1 ATOM 130 N N . ALA A 1 16 ? -3.984 -20.776 13.451 1.00 96.96 16 A 1 ATOM 131 C CA . ALA A 1 16 ? -4.549 -19.536 12.923 1.00 96.87 16 A 1 ATOM 132 C C . ALA A 1 16 ? -4.106 -19.217 11.477 1.00 97.04 16 A 1 ATOM 133 O O . ALA A 1 16 ? -4.413 -18.135 11.002 1.00 94.97 16 A 1 ATOM 134 C CB . ALA A 1 16 ? -4.226 -18.404 13.909 1.00 96.27 16 A 1 ATOM 135 N N . GLY A 1 17 ? -3.393 -20.127 10.803 1.00 97.00 17 A 1 ATOM 136 C CA . GLY A 1 17 ? -3.061 -19.982 9.383 1.00 96.79 17 A 1 ATOM 137 C C . GLY A 1 17 ? -1.809 -19.151 9.104 1.00 97.46 17 A 1 ATOM 138 O O . GLY A 1 17 ? -1.758 -18.461 8.098 1.00 95.99 17 A 1 ATOM 139 N N . TYR A 1 18 ? -0.811 -19.200 10.008 1.00 98.13 18 A 1 ATOM 140 C CA . TYR A 1 18 ? 0.501 -18.593 9.784 1.00 98.42 18 A 1 ATOM 141 C C . TYR A 1 18 ? 1.610 -19.420 10.434 1.00 98.53 18 A 1 ATOM 142 O O . TYR A 1 18 ? 1.360 -20.254 11.309 1.00 98.22 18 A 1 ATOM 143 C CB . TYR A 1 18 ? 0.518 -17.138 10.288 1.00 98.38 18 A 1 ATOM 144 C CG . TYR A 1 18 ? 0.498 -16.969 11.798 1.00 98.54 18 A 1 ATOM 145 C CD1 . TYR A 1 18 ? -0.720 -17.033 12.502 1.00 97.91 18 A 1 ATOM 146 C CD2 . TYR A 1 18 ? 1.697 -16.726 12.500 1.00 97.94 18 A 1 ATOM 147 C CE1 . TYR A 1 18 ? -0.744 -16.849 13.897 1.00 97.58 18 A 1 ATOM 148 C CE2 . TYR A 1 18 ? 1.679 -16.542 13.897 1.00 97.57 18 A 1 ATOM 149 C CZ . TYR A 1 18 ? 0.455 -16.602 14.598 1.00 97.83 18 A 1 ATOM 150 O OH . TYR A 1 18 ? 0.435 -16.418 15.945 1.00 96.91 18 A 1 ATOM 151 N N . GLU A 1 19 ? 2.854 -19.166 10.042 1.00 98.31 19 A 1 ATOM 152 C CA . GLU A 1 19 ? 4.043 -19.730 10.672 1.00 98.13 19 A 1 ATOM 153 C C . GLU A 1 19 ? 5.011 -18.639 11.125 1.00 98.34 19 A 1 ATOM 154 O O . GLU A 1 19 ? 5.058 -17.552 10.560 1.00 97.78 19 A 1 ATOM 155 C CB . GLU A 1 19 ? 4.700 -20.780 9.771 1.00 96.45 19 A 1 ATOM 156 C CG . GLU A 1 19 ? 5.231 -20.266 8.423 1.00 91.16 19 A 1 ATOM 157 C CD . GLU A 1 19 ? 5.871 -21.402 7.604 1.00 93.03 19 A 1 ATOM 158 O OE1 . GLU A 1 19 ? 6.837 -21.121 6.869 1.00 85.73 19 A 1 ATOM 159 O OE2 . GLU A 1 19 ? 5.440 -22.577 7.754 1.00 88.14 19 A 1 ATOM 160 N N . VAL A 1 20 ? 5.769 -18.937 12.187 1.00 98.19 20 A 1 ATOM 161 C CA . VAL A 1 20 ? 6.862 -18.085 12.668 1.00 98.15 20 A 1 ATOM 162 C C . VAL A 1 20 ? 8.161 -18.835 12.461 1.00 98.15 20 A 1 ATOM 163 O O . VAL A 1 20 ? 8.310 -19.961 12.943 1.00 97.73 20 A 1 ATOM 164 C CB . VAL A 1 20 ? 6.676 -17.670 14.136 1.00 97.88 20 A 1 ATOM 165 C CG1 . VAL A 1 20 ? 7.866 -16.853 14.665 1.00 96.82 20 A 1 ATOM 166 C CG2 . VAL A 1 20 ? 5.417 -16.811 14.299 1.00 96.53 20 A 1 ATOM 167 N N . ARG A 1 21 ? 9.093 -18.197 11.780 1.00 98.13 21 A 1 ATOM 168 C CA . ARG A 1 21 ? 10.451 -18.687 11.547 1.00 97.91 21 A 1 ATOM 169 C C . ARG A 1 21 ? 11.418 -17.934 12.456 1.00 97.86 21 A 1 ATOM 170 O O . ARG A 1 21 ? 11.288 -16.727 12.645 1.00 97.34 21 A 1 ATOM 171 C CB . ARG A 1 21 ? 10.827 -18.549 10.061 1.00 97.34 21 A 1 ATOM 172 C CG . ARG A 1 21 ? 9.803 -19.202 9.115 1.00 96.22 21 A 1 ATOM 173 C CD . ARG A 1 21 ? 10.247 -19.077 7.650 1.00 95.40 21 A 1 ATOM 174 N NE . ARG A 1 21 ? 9.224 -19.631 6.749 1.00 93.81 21 A 1 ATOM 175 C CZ . ARG A 1 21 ? 9.073 -19.406 5.456 1.00 92.89 21 A 1 ATOM 176 N NH1 . ARG A 1 21 ? 9.907 -18.670 4.770 1.00 89.88 21 A 1 ATOM 177 N NH2 . ARG A 1 21 ? 8.056 -19.926 4.840 1.00 88.46 21 A 1 ATOM 178 N N . GLU A 1 22 ? 12.351 -18.662 13.052 1.00 97.62 22 A 1 ATOM 179 C CA . GLU A 1 22 ? 13.560 -18.069 13.613 1.00 97.52 22 A 1 ATOM 180 C C . GLU A 1 22 ? 14.635 -18.136 12.532 1.00 97.53 22 A 1 ATOM 181 O O . GLU A 1 22 ? 14.988 -19.221 12.073 1.00 96.75 22 A 1 ATOM 182 C CB . GLU A 1 22 ? 13.959 -18.770 14.920 1.00 97.08 22 A 1 ATOM 183 C CG . GLU A 1 22 ? 15.127 -18.067 15.629 1.00 90.95 22 A 1 ATOM 184 C CD . GLU A 1 22 ? 15.333 -18.647 17.040 1.00 89.71 22 A 1 ATOM 185 O OE1 . GLU A 1 22 ? 15.105 -17.896 18.021 1.00 80.60 22 A 1 ATOM 186 O OE2 . GLU A 1 22 ? 15.649 -19.847 17.144 1.00 82.67 22 A 1 ATOM 187 N N . GLU A 1 23 ? 15.111 -16.983 12.102 1.00 97.10 23 A 1 ATOM 188 C CA . GLU A 1 23 ? 15.991 -16.826 10.948 1.00 96.64 23 A 1 ATOM 189 C C . GLU A 1 23 ? 17.303 -16.175 11.376 1.00 96.92 23 A 1 ATOM 190 O O . GLU A 1 23 ? 17.312 -15.261 12.206 1.00 96.15 23 A 1 ATOM 191 C CB . GLU A 1 23 ? 15.292 -16.004 9.849 1.00 95.54 23 A 1 ATOM 192 C CG . GLU A 1 23 ? 14.041 -16.712 9.308 1.00 93.92 23 A 1 ATOM 193 C CD . GLU A 1 23 ? 13.293 -15.917 8.228 1.00 94.03 23 A 1 ATOM 194 O OE1 . GLU A 1 23 ? 12.745 -16.576 7.315 1.00 87.93 23 A 1 ATOM 195 O OE2 . GLU A 1 23 ? 13.182 -14.677 8.351 1.00 89.14 23 A 1 ATOM 196 N N . LEU A 1 24 ? 18.409 -16.654 10.819 1.00 95.76 24 A 1 ATOM 197 C CA . LEU A 1 24 ? 19.710 -16.003 10.920 1.00 95.82 24 A 1 ATOM 198 C C . LEU A 1 24 ? 19.849 -15.033 9.743 1.00 95.83 24 A 1 ATOM 199 O O . LEU A 1 24 ? 19.917 -15.461 8.591 1.00 94.72 24 A 1 ATOM 200 C CB . LEU A 1 24 ? 20.823 -17.067 10.935 1.00 95.72 24 A 1 ATOM 201 C CG . LEU A 1 24 ? 22.221 -16.491 11.225 1.00 94.43 24 A 1 ATOM 202 C CD1 . LEU A 1 24 ? 22.342 -16.017 12.680 1.00 91.47 24 A 1 ATOM 203 C CD2 . LEU A 1 24 ? 23.282 -17.571 10.990 1.00 91.86 24 A 1 ATOM 204 N N . VAL A 1 25 ? 19.881 -13.741 10.047 1.00 95.59 25 A 1 ATOM 205 C CA . VAL A 1 25 ? 19.995 -12.668 9.054 1.00 94.94 25 A 1 ATOM 206 C C . VAL A 1 25 ? 21.435 -12.178 9.000 1.00 95.46 25 A 1 ATOM 207 O O . VAL A 1 25 ? 22.068 -11.992 10.038 1.00 94.92 25 A 1 ATOM 208 C CB . VAL A 1 25 ? 19.003 -11.533 9.362 1.00 93.55 25 A 1 ATOM 209 C CG1 . VAL A 1 25 ? 19.140 -10.351 8.394 1.00 90.43 25 A 1 ATOM 210 C CG2 . VAL A 1 25 ? 17.565 -12.052 9.252 1.00 90.64 25 A 1 ATOM 211 N N . ALA A 1 26 ? 21.936 -11.952 7.795 1.00 94.58 26 A 1 ATOM 212 C CA . ALA A 1 26 ? 23.270 -11.418 7.564 1.00 93.93 26 A 1 ATOM 213 C C . ALA A 1 26 ? 23.407 -10.012 8.165 1.00 93.66 26 A 1 ATOM 214 O O . ALA A 1 26 ? 22.710 -9.086 7.752 1.00 91.35 26 A 1 ATOM 215 C CB . ALA A 1 26 ? 23.538 -11.407 6.058 1.00 92.52 26 A 1 ATOM 216 N N . GLY A 1 27 ? 24.323 -9.863 9.134 1.00 93.83 27 A 1 ATOM 217 C CA . GLY A 1 27 ? 24.576 -8.585 9.797 1.00 92.74 27 A 1 ATOM 218 C C . GLY A 1 27 ? 25.484 -7.645 9.012 1.00 92.30 27 A 1 ATOM 219 O O . GLY A 1 27 ? 25.425 -6.438 9.206 1.00 88.96 27 A 1 ATOM 220 N N . ASN A 1 28 ? 26.264 -8.171 8.063 1.00 93.54 28 A 1 ATOM 221 C CA . ASN A 1 28 ? 27.203 -7.383 7.253 1.00 91.04 28 A 1 ATOM 222 C C . ASN A 1 28 ? 26.542 -6.238 6.461 1.00 90.10 28 A 1 ATOM 223 O O . ASN A 1 28 ? 27.180 -5.233 6.205 1.00 85.83 28 A 1 ATOM 224 C CB . ASN A 1 28 ? 27.967 -8.325 6.307 1.00 88.61 28 A 1 ATOM 225 C CG . ASN A 1 28 ? 27.113 -8.988 5.229 1.00 81.91 28 A 1 ATOM 226 O OD1 . ASN A 1 28 ? 25.919 -9.209 5.355 1.00 72.54 28 A 1 ATOM 227 N ND2 . ASN A 1 28 ? 27.700 -9.351 4.117 1.00 74.69 28 A 1 ATOM 228 N N . GLN A 1 29 ? 25.254 -6.377 6.121 1.00 89.78 29 A 1 ATOM 229 C CA . GLN A 1 29 ? 24.483 -5.307 5.475 1.00 85.78 29 A 1 ATOM 230 C C . GLN A 1 29 ? 24.141 -4.137 6.420 1.00 86.27 29 A 1 ATOM 231 O O . GLN A 1 29 ? 23.631 -3.116 5.969 1.00 82.59 29 A 1 ATOM 232 C CB . GLN A 1 29 ? 23.221 -5.919 4.839 1.00 81.58 29 A 1 ATOM 233 C CG . GLN A 1 29 ? 22.152 -6.316 5.874 1.00 72.57 29 A 1 ATOM 234 C CD . GLN A 1 29 ? 21.080 -7.237 5.306 1.00 69.14 29 A 1 ATOM 235 O OE1 . GLN A 1 29 ? 20.336 -6.911 4.394 1.00 64.69 29 A 1 ATOM 236 N NE2 . GLN A 1 29 ? 20.963 -8.441 5.818 1.00 60.31 29 A 1 ATOM 237 N N . PHE A 1 30 ? 24.383 -4.315 7.723 1.00 87.37 30 A 1 ATOM 238 C CA . PHE A 1 30 ? 24.154 -3.329 8.781 1.00 86.62 30 A 1 ATOM 239 C C . PHE A 1 30 ? 25.430 -3.034 9.588 1.00 89.88 30 A 1 ATOM 240 O O . PHE A 1 30 ? 25.328 -2.549 10.711 1.00 88.25 30 A 1 ATOM 241 C CB . PHE A 1 30 ? 23.038 -3.838 9.708 1.00 84.17 30 A 1 ATOM 242 C CG . PHE A 1 30 ? 21.743 -4.247 9.034 1.00 81.20 30 A 1 ATOM 243 C CD1 . PHE A 1 30 ? 20.922 -3.280 8.429 1.00 78.91 30 A 1 ATOM 244 C CD2 . PHE A 1 30 ? 21.352 -5.601 9.032 1.00 78.20 30 A 1 ATOM 245 C CE1 . PHE A 1 30 ? 19.706 -3.663 7.832 1.00 76.08 30 A 1 ATOM 246 C CE2 . PHE A 1 30 ? 20.136 -5.982 8.437 1.00 76.05 30 A 1 ATOM 247 C CZ . PHE A 1 30 ? 19.311 -5.013 7.839 1.00 74.58 30 A 1 ATOM 248 N N . ASP A 1 31 ? 26.598 -3.391 9.061 1.00 89.82 31 A 1 ATOM 249 C CA . ASP A 1 31 ? 27.899 -3.263 9.732 1.00 91.20 31 A 1 ATOM 250 C C . ASP A 1 31 ? 27.941 -3.897 11.139 1.00 92.27 31 A 1 ATOM 251 O O . ASP A 1 31 ? 28.529 -3.366 12.082 1.00 89.56 31 A 1 ATOM 252 C CB . ASP A 1 31 ? 28.388 -1.804 9.682 1.00 89.99 31 A 1 ATOM 253 C CG . ASP A 1 31 ? 28.558 -1.305 8.242 1.00 84.04 31 A 1 ATOM 254 O OD1 . ASP A 1 31 ? 29.161 -2.059 7.440 1.00 79.58 31 A 1 ATOM 255 O OD2 . ASP A 1 31 ? 28.093 -0.182 7.961 1.00 78.36 31 A 1 ATOM 256 N N . MET A 1 32 ? 27.287 -5.067 11.299 1.00 93.58 32 A 1 ATOM 257 C CA . MET A 1 32 ? 27.214 -5.809 12.560 1.00 93.50 32 A 1 ATOM 258 C C . MET A 1 32 ? 27.317 -7.323 12.344 1.00 94.59 32 A 1 ATOM 259 O O . MET A 1 32 ? 27.290 -7.822 11.214 1.00 93.70 32 A 1 ATOM 260 C CB . MET A 1 32 ? 25.934 -5.415 13.326 1.00 89.60 32 A 1 ATOM 261 C CG . MET A 1 32 ? 24.632 -5.754 12.580 1.00 81.05 32 A 1 ATOM 262 S SD . MET A 1 32 ? 23.073 -5.487 13.494 1.00 78.45 32 A 1 ATOM 263 C CE . MET A 1 32 ? 23.531 -4.308 14.790 1.00 67.27 32 A 1 ATOM 264 N N . ASP A 1 33 ? 27.427 -8.080 13.459 1.00 94.17 33 A 1 ATOM 265 C CA . ASP A 1 33 ? 27.362 -9.538 13.445 1.00 94.47 33 A 1 ATOM 266 C C . ASP A 1 33 ? 25.985 -10.044 12.986 1.00 94.81 33 A 1 ATOM 267 O O . ASP A 1 33 ? 24.972 -9.349 13.059 1.00 92.87 33 A 1 ATOM 268 C CB . ASP A 1 33 ? 27.701 -10.100 14.836 1.00 93.28 33 A 1 ATOM 269 C CG . ASP A 1 33 ? 29.170 -9.924 15.230 1.00 90.57 33 A 1 ATOM 270 O OD1 . ASP A 1 33 ? 30.033 -10.014 14.331 1.00 85.17 33 A 1 ATOM 271 O OD2 . ASP A 1 33 ? 29.417 -9.762 16.449 1.00 86.06 33 A 1 ATOM 272 N N . ASP A 1 34 ? 25.938 -11.306 12.545 1.00 95.43 34 A 1 ATOM 273 C CA . ASP A 1 34 ? 24.683 -11.954 12.169 1.00 95.27 34 A 1 ATOM 274 C C . ASP A 1 34 ? 23.692 -11.968 13.340 1.00 95.10 34 A 1 ATOM 275 O O . ASP A 1 34 ? 24.030 -12.331 14.468 1.00 93.21 34 A 1 ATOM 276 C CB . ASP A 1 34 ? 24.934 -13.386 11.697 1.00 94.14 34 A 1 ATOM 277 C CG . ASP A 1 34 ? 25.682 -13.504 10.378 1.00 93.86 34 A 1 ATOM 278 O OD1 . ASP A 1 34 ? 25.882 -12.512 9.636 1.00 90.39 34 A 1 ATOM 279 O OD2 . ASP A 1 34 ? 26.018 -14.649 10.002 1.00 90.73 34 A 1 ATOM 280 N N . ILE A 1 35 ? 22.425 -11.634 13.065 1.00 95.83 35 A 1 ATOM 281 C CA . ILE A 1 35 ? 21.371 -11.526 14.075 1.00 95.18 35 A 1 ATOM 282 C C . ILE A 1 35 ? 20.297 -12.592 13.881 1.00 95.99 35 A 1 ATOM 283 O O . ILE A 1 35 ? 19.942 -12.966 12.762 1.00 95.60 35 A 1 ATOM 284 C CB . ILE A 1 35 ? 20.779 -10.100 14.142 1.00 93.14 35 A 1 ATOM 285 C CG1 . ILE A 1 35 ? 20.155 -9.651 12.800 1.00 84.16 35 A 1 ATOM 286 C CG2 . ILE A 1 35 ? 21.854 -9.117 14.630 1.00 83.09 35 A 1 ATOM 287 C CD1 . ILE A 1 35 ? 19.370 -8.335 12.883 1.00 77.77 35 A 1 ATOM 288 N N . LYS A 1 36 ? 19.734 -13.068 15.011 1.00 95.89 36 A 1 ATOM 289 C CA . LYS A 1 36 ? 18.554 -13.938 14.998 1.00 95.98 36 A 1 ATOM 290 C C . LYS A 1 36 ? 17.295 -13.087 15.070 1.00 95.67 36 A 1 ATOM 291 O O . LYS A 1 36 ? 17.113 -12.332 16.025 1.00 94.53 36 A 1 ATOM 292 C CB . LYS A 1 36 ? 18.601 -14.949 16.143 1.00 95.77 36 A 1 ATOM 293 C CG . LYS A 1 36 ? 19.754 -15.943 15.970 1.00 92.73 36 A 1 ATOM 294 C CD . LYS A 1 36 ? 19.755 -16.945 17.124 1.00 91.06 36 A 1 ATOM 295 C CE . LYS A 1 36 ? 20.942 -17.890 16.981 1.00 85.63 36 A 1 ATOM 296 N NZ . LYS A 1 36 ? 20.950 -18.899 18.063 1.00 80.15 36 A 1 ATOM 297 N N . VAL A 1 37 ? 16.389 -13.268 14.109 1.00 95.83 37 A 1 ATOM 298 C CA . VAL A 1 37 ? 15.097 -12.580 14.064 1.00 95.31 37 A 1 ATOM 299 C C . VAL A 1 37 ? 13.958 -13.591 14.028 1.00 96.19 37 A 1 ATOM 300 O O . VAL A 1 37 ? 14.113 -14.709 13.544 1.00 95.81 37 A 1 ATOM 301 C CB . VAL A 1 37 ? 15.011 -11.569 12.906 1.00 93.30 37 A 1 ATOM 302 C CG1 . VAL A 1 37 ? 16.081 -10.478 13.045 1.00 85.46 37 A 1 ATOM 303 C CG2 . VAL A 1 37 ? 15.137 -12.222 11.531 1.00 84.87 37 A 1 ATOM 304 N N . LYS A 1 38 ? 12.798 -13.204 14.579 1.00 96.72 38 A 1 ATOM 305 C CA . LYS A 1 38 ? 11.559 -13.987 14.494 1.00 96.70 38 A 1 ATOM 306 C C . LYS A 1 38 ? 10.580 -13.279 13.581 1.00 96.63 38 A 1 ATOM 307 O O . LYS A 1 38 ? 10.032 -12.237 13.945 1.00 95.35 38 A 1 ATOM 308 C CB . LYS A 1 38 ? 10.961 -14.254 15.878 1.00 96.39 38 A 1 ATOM 309 C CG . LYS A 1 38 ? 11.806 -15.281 16.628 1.00 94.13 38 A 1 ATOM 310 C CD . LYS A 1 38 ? 11.217 -15.608 18.004 1.00 90.23 38 A 1 ATOM 311 C CE . LYS A 1 38 ? 12.166 -16.626 18.632 1.00 85.11 38 A 1 ATOM 312 N NZ . LYS A 1 38 ? 11.816 -16.961 20.026 1.00 76.32 38 A 1 ATOM 313 N N . THR A 1 39 ? 10.345 -13.881 12.433 1.00 96.90 39 A 1 ATOM 314 C CA . THR A 1 39 ? 9.519 -13.374 11.341 1.00 96.79 39 A 1 ATOM 315 C C . THR A 1 39 ? 8.336 -14.304 11.119 1.00 97.61 39 A 1 ATOM 316 O O . THR A 1 39 ? 8.406 -15.507 11.373 1.00 97.22 39 A 1 ATOM 317 C CB . THR A 1 39 ? 10.363 -13.242 10.068 1.00 94.79 39 A 1 ATOM 318 O OG1 . THR A 1 39 ? 11.138 -14.404 9.962 1.00 83.72 39 A 1 ATOM 319 C CG2 . THR A 1 39 ? 11.319 -12.054 10.144 1.00 80.28 39 A 1 ATOM 320 N N . ALA A 1 40 ? 7.208 -13.743 10.703 1.00 97.35 40 A 1 ATOM 321 C CA . ALA A 1 40 ? 5.983 -14.480 10.445 1.00 97.64 40 A 1 ATOM 322 C C . ALA A 1 40 ? 5.613 -14.457 8.961 1.00 97.39 40 A 1 ATOM 323 O O . ALA A 1 40 ? 5.734 -13.428 8.297 1.00 96.98 40 A 1 ATOM 324 C CB . ALA A 1 40 ? 4.871 -13.935 11.331 1.00 97.87 40 A 1 ATOM 325 N N . TYR A 1 41 ? 5.096 -15.592 8.499 1.00 98.03 41 A 1 ATOM 326 C CA . TYR A 1 41 ? 4.748 -15.830 7.103 1.00 97.98 41 A 1 ATOM 327 C C . TYR A 1 41 ? 3.383 -16.507 6.982 1.00 98.28 41 A 1 ATOM 328 O O . TYR A 1 41 ? 2.941 -17.230 7.886 1.00 98.10 41 A 1 ATOM 329 C CB . TYR A 1 41 ? 5.838 -16.678 6.438 1.00 97.41 41 A 1 ATOM 330 C CG . TYR A 1 41 ? 7.210 -16.033 6.423 1.00 96.90 41 A 1 ATOM 331 C CD1 . TYR A 1 41 ? 7.587 -15.207 5.349 1.00 95.44 41 A 1 ATOM 332 C CD2 . TYR A 1 41 ? 8.105 -16.246 7.491 1.00 95.64 41 A 1 ATOM 333 C CE1 . TYR A 1 41 ? 8.856 -14.594 5.337 1.00 94.42 41 A 1 ATOM 334 C CE2 . TYR A 1 41 ? 9.373 -15.631 7.483 1.00 94.50 41 A 1 ATOM 335 C CZ . TYR A 1 41 ? 9.751 -14.805 6.404 1.00 94.35 41 A 1 ATOM 336 O OH . TYR A 1 41 ? 10.976 -14.216 6.387 1.00 92.34 41 A 1 ATOM 337 N N . THR A 1 42 ? 2.716 -16.297 5.848 1.00 97.91 42 A 1 ATOM 338 C CA . THR A 1 42 ? 1.593 -17.140 5.426 1.00 97.94 42 A 1 ATOM 339 C C . THR A 1 42 ? 2.099 -18.556 5.093 1.00 97.76 42 A 1 ATOM 340 O O . THR A 1 42 ? 3.304 -18.745 4.895 1.00 97.29 42 A 1 ATOM 341 C CB . THR A 1 42 ? 0.865 -16.555 4.206 1.00 97.79 42 A 1 ATOM 342 O OG1 . THR A 1 42 ? 1.695 -16.595 3.078 1.00 96.19 42 A 1 ATOM 343 C CG2 . THR A 1 42 ? 0.407 -15.113 4.416 1.00 94.83 42 A 1 ATOM 344 N N . PRO A 1 43 ? 1.210 -19.566 5.003 1.00 97.42 43 A 1 ATOM 345 C CA . PRO A 1 43 ? 1.594 -20.902 4.535 1.00 96.73 43 A 1 ATOM 346 C C . PRO A 1 43 ? 2.251 -20.910 3.146 1.00 96.50 43 A 1 ATOM 347 O O . PRO A 1 43 ? 3.102 -21.755 2.892 1.00 94.97 43 A 1 ATOM 348 C CB . PRO A 1 43 ? 0.294 -21.715 4.538 1.00 95.89 43 A 1 ATOM 349 C CG . PRO A 1 43 ? -0.560 -21.013 5.590 1.00 94.75 43 A 1 ATOM 350 C CD . PRO A 1 43 ? -0.191 -19.547 5.391 1.00 96.65 43 A 1 ATOM 351 N N . ASP A 1 44 ? 1.900 -19.941 2.295 1.00 96.35 44 A 1 ATOM 352 C CA . ASP A 1 44 ? 2.449 -19.779 0.939 1.00 95.59 44 A 1 ATOM 353 C C . ASP A 1 44 ? 3.793 -19.020 0.921 1.00 95.76 44 A 1 ATOM 354 O O . ASP A 1 44 ? 4.419 -18.857 -0.124 1.00 93.75 44 A 1 ATOM 355 C CB . ASP A 1 44 ? 1.401 -19.091 0.048 1.00 94.11 44 A 1 ATOM 356 C CG . ASP A 1 44 ? 0.038 -19.786 0.132 1.00 88.60 44 A 1 ATOM 357 O OD1 . ASP A 1 44 ? 0.001 -21.027 -0.020 1.00 80.66 44 A 1 ATOM 358 O OD2 . ASP A 1 44 ? -0.940 -19.080 0.472 1.00 80.83 44 A 1 ATOM 359 N N . GLY A 1 45 ? 4.266 -18.581 2.094 1.00 95.74 45 A 1 ATOM 360 C CA . GLY A 1 45 ? 5.583 -17.961 2.254 1.00 95.01 45 A 1 ATOM 361 C C . GLY A 1 45 ? 5.615 -16.438 2.118 1.00 95.20 45 A 1 ATOM 362 O O . GLY A 1 45 ? 6.709 -15.863 2.136 1.00 93.88 45 A 1 ATOM 363 N N . HIS A 1 46 ? 4.463 -15.773 2.042 1.00 96.31 46 A 1 ATOM 364 C CA . HIS A 1 46 ? 4.410 -14.308 2.043 1.00 96.62 46 A 1 ATOM 365 C C . HIS A 1 46 ? 4.681 -13.742 3.438 1.00 96.74 46 A 1 ATOM 366 O O . HIS A 1 46 ? 4.161 -14.237 4.439 1.00 96.30 46 A 1 ATOM 367 C CB . HIS A 1 46 ? 3.068 -13.812 1.503 1.00 96.66 46 A 1 ATOM 368 C CG . HIS A 1 46 ? 2.761 -14.317 0.121 1.00 96.31 46 A 1 ATOM 369 N ND1 . HIS A 1 46 ? 3.484 -14.066 -1.020 1.00 86.42 46 A 1 ATOM 370 C CD2 . HIS A 1 46 ? 1.727 -15.141 -0.227 1.00 87.28 46 A 1 ATOM 371 C CE1 . HIS A 1 46 ? 2.893 -14.722 -2.035 1.00 88.72 46 A 1 ATOM 372 N NE2 . HIS A 1 46 ? 1.821 -15.388 -1.598 1.00 90.97 46 A 1 ATOM 373 N N . TYR A 1 47 ? 5.467 -12.683 3.510 1.00 96.50 47 A 1 ATOM 374 C CA . TYR A 1 47 ? 5.875 -12.043 4.757 1.00 96.39 47 A 1 ATOM 375 C C . TYR A 1 47 ? 4.714 -11.266 5.394 1.00 96.97 47 A 1 ATOM 376 O O . TYR A 1 47 ? 4.096 -10.417 4.754 1.00 96.70 47 A 1 ATOM 377 C CB . TYR A 1 47 ? 7.072 -11.134 4.469 1.00 95.32 47 A 1 ATOM 378 C CG . TYR A 1 47 ? 7.555 -10.340 5.663 1.00 93.83 47 A 1 ATOM 379 C CD1 . TYR A 1 47 ? 7.180 -8.990 5.814 1.00 91.16 47 A 1 ATOM 380 C CD2 . TYR A 1 47 ? 8.389 -10.946 6.623 1.00 90.74 47 A 1 ATOM 381 C CE1 . TYR A 1 47 ? 7.651 -8.246 6.911 1.00 88.23 47 A 1 ATOM 382 C CE2 . TYR A 1 47 ? 8.861 -10.203 7.722 1.00 87.92 47 A 1 ATOM 383 C CZ . TYR A 1 47 ? 8.498 -8.849 7.864 1.00 87.54 47 A 1 ATOM 384 O OH . TYR A 1 47 ? 8.966 -8.126 8.918 1.00 85.14 47 A 1 ATOM 385 N N . ILE A 1 48 ? 4.441 -11.532 6.690 1.00 96.78 48 A 1 ATOM 386 C CA . ILE A 1 48 ? 3.386 -10.851 7.464 1.00 97.07 48 A 1 ATOM 387 C C . ILE A 1 48 ? 3.971 -9.753 8.365 1.00 96.44 48 A 1 ATOM 388 O O . ILE A 1 48 ? 3.319 -8.744 8.624 1.00 95.46 48 A 1 ATOM 389 C CB . ILE A 1 48 ? 2.577 -11.872 8.299 1.00 97.62 48 A 1 ATOM 390 C CG1 . ILE A 1 48 ? 1.904 -12.944 7.405 1.00 97.38 48 A 1 ATOM 391 C CG2 . ILE A 1 48 ? 1.507 -11.166 9.157 1.00 97.29 48 A 1 ATOM 392 C CD1 . ILE A 1 48 ? 1.262 -14.097 8.181 1.00 97.06 48 A 1 ATOM 393 N N . GLY A 1 49 ? 5.182 -9.959 8.888 1.00 96.45 49 A 1 ATOM 394 C CA . GLY A 1 49 ? 5.801 -9.095 9.891 1.00 95.88 49 A 1 ATOM 395 C C . GLY A 1 49 ? 6.396 -9.894 11.049 1.00 96.21 49 A 1 ATOM 396 O O . GLY A 1 49 ? 6.809 -11.041 10.893 1.00 95.51 49 A 1 ATOM 397 N N . ASP A 1 50 ? 6.420 -9.294 12.243 1.00 95.53 50 A 1 ATOM 398 C CA . ASP A 1 50 ? 6.833 -9.993 13.460 1.00 95.60 50 A 1 ATOM 399 C C . ASP A 1 50 ? 5.736 -10.941 13.995 1.00 96.63 50 A 1 ATOM 400 O O . ASP A 1 50 ? 4.560 -10.896 13.616 1.00 96.48 50 A 1 ATOM 401 C CB . ASP A 1 50 ? 7.349 -8.980 14.508 1.00 94.29 50 A 1 ATOM 402 C CG . ASP A 1 50 ? 6.284 -8.093 15.172 1.00 93.21 50 A 1 ATOM 403 O OD1 . ASP A 1 50 ? 5.084 -8.439 15.134 1.00 89.31 50 A 1 ATOM 404 O OD2 . ASP A 1 50 ? 6.657 -7.093 15.813 1.00 88.28 50 A 1 ATOM 405 N N . SER A 1 51 ? 6.109 -11.815 14.930 1.00 96.43 51 A 1 ATOM 406 C CA . SER A 1 51 ? 5.193 -12.793 15.531 1.00 96.58 51 A 1 ATOM 407 C C . SER A 1 51 ? 3.994 -12.155 16.249 1.00 97.14 51 A 1 ATOM 408 O O . SER A 1 51 ? 2.905 -12.733 16.277 1.00 96.57 51 A 1 ATOM 409 C CB . SER A 1 51 ? 5.971 -13.691 16.498 1.00 95.24 51 A 1 ATOM 410 O OG . SER A 1 51 ? 6.526 -12.954 17.575 1.00 83.13 51 A 1 ATOM 411 N N . LYS A 1 52 ? 4.157 -10.955 16.817 1.00 96.45 52 A 1 ATOM 412 C CA . LYS A 1 52 ? 3.101 -10.209 17.518 1.00 96.45 52 A 1 ATOM 413 C C . LYS A 1 52 ? 2.082 -9.650 16.530 1.00 97.02 52 A 1 ATOM 414 O O . LYS A 1 52 ? 0.877 -9.732 16.781 1.00 96.60 52 A 1 ATOM 415 C CB . LYS A 1 52 ? 3.758 -9.104 18.356 1.00 95.54 52 A 1 ATOM 416 C CG . LYS A 1 52 ? 2.762 -8.310 19.217 1.00 88.43 52 A 1 ATOM 417 C CD . LYS A 1 52 ? 3.508 -7.221 19.996 1.00 83.92 52 A 1 ATOM 418 C CE . LYS A 1 52 ? 2.558 -6.379 20.852 1.00 75.25 52 A 1 ATOM 419 N NZ . LYS A 1 52 ? 3.291 -5.293 21.556 1.00 65.46 52 A 1 ATOM 420 N N . THR A 1 53 ? 2.551 -9.129 15.403 1.00 96.82 53 A 1 ATOM 421 C CA . THR A 1 53 ? 1.718 -8.641 14.299 1.00 96.84 53 A 1 ATOM 422 C C . THR A 1 53 ? 0.894 -9.776 13.707 1.00 97.53 53 A 1 ATOM 423 O O . THR A 1 53 ? -0.331 -9.670 13.669 1.00 97.56 53 A 1 ATOM 424 C CB . THR A 1 53 ? 2.583 -7.944 13.242 1.00 96.15 53 A 1 ATOM 425 O OG1 . THR A 1 53 ? 3.150 -6.814 13.867 1.00 94.45 53 A 1 ATOM 426 C CG2 . THR A 1 53 ? 1.781 -7.451 12.044 1.00 94.30 53 A 1 ATOM 427 N N . ALA A 1 54 ? 1.521 -10.905 13.380 1.00 97.31 54 A 1 ATOM 428 C CA . ALA A 1 54 ? 0.816 -12.078 12.867 1.00 97.98 54 A 1 ATOM 429 C C . ALA A 1 54 ? -0.234 -12.613 13.855 1.00 98.20 54 A 1 ATOM 430 O O . ALA A 1 54 ? -1.372 -12.881 13.473 1.00 98.20 54 A 1 ATOM 431 C CB . ALA A 1 54 ? 1.850 -13.149 12.530 1.00 98.07 54 A 1 ATOM 432 N N . TYR A 1 55 ? 0.089 -12.693 15.162 1.00 97.96 55 A 1 ATOM 433 C CA . TYR A 1 55 ? -0.882 -13.076 16.191 1.00 97.97 55 A 1 ATOM 434 C C . TYR A 1 55 ? -2.077 -12.118 16.241 1.00 97.92 55 A 1 ATOM 435 O O . TYR A 1 55 ? -3.230 -12.552 16.344 1.00 97.54 55 A 1 ATOM 436 C CB . TYR A 1 55 ? -0.183 -13.142 17.554 1.00 97.91 55 A 1 ATOM 437 C CG . TYR A 1 55 ? -1.137 -13.441 18.699 1.00 97.66 55 A 1 ATOM 438 C CD1 . TYR A 1 55 ? -1.691 -12.389 19.458 1.00 95.67 55 A 1 ATOM 439 C CD2 . TYR A 1 55 ? -1.497 -14.773 18.983 1.00 96.06 55 A 1 ATOM 440 C CE1 . TYR A 1 55 ? -2.600 -12.672 20.498 1.00 95.46 55 A 1 ATOM 441 C CE2 . TYR A 1 55 ? -2.403 -15.057 20.022 1.00 95.61 55 A 1 ATOM 442 C CZ . TYR A 1 55 ? -2.954 -14.005 20.779 1.00 96.09 55 A 1 ATOM 443 O OH . TYR A 1 55 ? -3.832 -14.277 21.785 1.00 94.57 55 A 1 ATOM 444 N N . ARG A 1 56 ? -1.824 -10.805 16.169 1.00 97.53 56 A 1 ATOM 445 C CA . ARG A 1 56 ? -2.877 -9.783 16.217 1.00 97.25 56 A 1 ATOM 446 C C . ARG A 1 56 ? -3.788 -9.848 14.986 1.00 97.61 56 A 1 ATOM 447 O O . ARG A 1 56 ? -5.007 -9.799 15.157 1.00 97.03 56 A 1 ATOM 448 C CB . ARG A 1 56 ? -2.219 -8.408 16.397 1.00 96.43 56 A 1 ATOM 449 C CG . ARG A 1 56 ? -3.244 -7.285 16.614 1.00 86.67 56 A 1 ATOM 450 C CD . ARG A 1 56 ? -2.549 -5.947 16.927 1.00 83.37 56 A 1 ATOM 451 N NE . ARG A 1 56 ? -1.687 -5.491 15.823 1.00 71.38 56 A 1 ATOM 452 C CZ . ARG A 1 56 ? -0.919 -4.414 15.815 1.00 63.52 56 A 1 ATOM 453 N NH1 . ARG A 1 56 ? -0.835 -3.606 16.835 1.00 57.49 56 A 1 ATOM 454 N NH2 . ARG A 1 56 ? -0.207 -4.128 14.756 1.00 52.91 56 A 1 ATOM 455 N N . LEU A 1 57 ? -3.220 -9.999 13.791 1.00 98.05 57 A 1 ATOM 456 C CA . LEU A 1 57 ? -3.963 -10.099 12.532 1.00 98.18 57 A 1 ATOM 457 C C . LEU A 1 57 ? -4.729 -11.426 12.444 1.00 98.31 57 A 1 ATOM 458 O O . LEU A 1 57 ? -5.960 -11.428 12.411 1.00 98.07 57 A 1 ATOM 459 C CB . LEU A 1 57 ? -2.992 -9.919 11.345 1.00 98.12 57 A 1 ATOM 460 C CG . LEU A 1 57 ? -2.379 -8.509 11.214 1.00 97.66 57 A 1 ATOM 461 C CD1 . LEU A 1 57 ? -1.314 -8.506 10.121 1.00 96.78 57 A 1 ATOM 462 C CD2 . LEU A 1 57 ? -3.423 -7.448 10.876 1.00 96.56 57 A 1 ATOM 463 N N . CYS A 1 58 ? -4.010 -12.550 12.501 1.00 98.32 58 A 1 ATOM 464 C CA . CYS A 1 58 ? -4.579 -13.865 12.214 1.00 98.37 58 A 1 ATOM 465 C C . CYS A 1 58 ? -5.396 -14.419 13.386 1.00 98.31 58 A 1 ATOM 466 O O . CYS A 1 58 ? -6.500 -14.921 13.204 1.00 97.69 58 A 1 ATOM 467 C CB . CYS A 1 58 ? -3.453 -14.841 11.837 1.00 98.35 58 A 1 ATOM 468 S SG . CYS A 1 58 ? -2.388 -14.163 10.530 1.00 98.04 58 A 1 ATOM 469 N N . LYS A 1 59 ? -4.870 -14.343 14.642 1.00 98.28 59 A 1 ATOM 470 C CA . LYS A 1 59 ? -5.527 -14.984 15.792 1.00 98.14 59 A 1 ATOM 471 C C . LYS A 1 59 ? -6.551 -14.085 16.473 1.00 98.10 59 A 1 ATOM 472 O O . LYS A 1 59 ? -7.613 -14.583 16.841 1.00 97.38 59 A 1 ATOM 473 C CB . LYS A 1 59 ? -4.475 -15.532 16.775 1.00 97.74 59 A 1 ATOM 474 C CG . LYS A 1 59 ? -5.061 -16.276 17.994 1.00 95.60 59 A 1 ATOM 475 C CD . LYS A 1 59 ? -5.936 -17.474 17.608 1.00 91.18 59 A 1 ATOM 476 C CE . LYS A 1 59 ? -6.455 -18.179 18.864 1.00 85.35 59 A 1 ATOM 477 N NZ . LYS A 1 59 ? -7.403 -19.259 18.527 1.00 75.83 59 A 1 ATOM 478 N N . LYS A 1 60 ? -6.239 -12.806 16.705 1.00 98.02 60 A 1 ATOM 479 C CA . LYS A 1 60 ? -7.175 -11.891 17.385 1.00 97.76 60 A 1 ATOM 480 C C . LYS A 1 60 ? -8.262 -11.375 16.453 1.00 97.90 60 A 1 ATOM 481 O O . LYS A 1 60 ? -9.420 -11.386 16.852 1.00 96.90 60 A 1 ATOM 482 C CB . LYS A 1 60 ? -6.450 -10.721 18.058 1.00 97.12 60 A 1 ATOM 483 C CG . LYS A 1 60 ? -5.851 -11.086 19.423 1.00 92.56 60 A 1 ATOM 484 C CD . LYS A 1 60 ? -5.457 -9.810 20.176 1.00 84.42 60 A 1 ATOM 485 C CE . LYS A 1 60 ? -5.194 -10.105 21.652 1.00 78.42 60 A 1 ATOM 486 N NZ . LYS A 1 60 ? -4.970 -8.859 22.429 1.00 68.84 60 A 1 ATOM 487 N N . ARG A 1 61 ? -7.893 -10.925 15.249 1.00 97.58 61 A 1 ATOM 488 C CA . ARG A 1 61 ? -8.847 -10.330 14.296 1.00 97.50 61 A 1 ATOM 489 C C . ARG A 1 61 ? -9.443 -11.345 13.322 1.00 97.97 61 A 1 ATOM 490 O O . ARG A 1 61 ? -10.486 -11.070 12.754 1.00 97.06 61 A 1 ATOM 491 C CB . ARG A 1 61 ? -8.193 -9.152 13.552 1.00 96.94 61 A 1 ATOM 492 C CG . ARG A 1 61 ? -7.826 -7.982 14.483 1.00 94.96 61 A 1 ATOM 493 C CD . ARG A 1 61 ? -7.215 -6.844 13.659 1.00 91.94 61 A 1 ATOM 494 N NE . ARG A 1 61 ? -6.916 -5.647 14.474 1.00 85.99 61 A 1 ATOM 495 C CZ . ARG A 1 61 ? -7.704 -4.597 14.651 1.00 79.12 61 A 1 ATOM 496 N NH1 . ARG A 1 61 ? -8.912 -4.533 14.161 1.00 73.75 61 A 1 ATOM 497 N NH2 . ARG A 1 61 ? -7.280 -3.570 15.336 1.00 73.56 61 A 1 ATOM 498 N N . GLY A 1 62 ? -8.823 -12.516 13.151 1.00 98.06 62 A 1 ATOM 499 C CA . GLY A 1 62 ? -9.295 -13.516 12.186 1.00 98.07 62 A 1 ATOM 500 C C . GLY A 1 62 ? -9.068 -13.108 10.728 1.00 98.32 62 A 1 ATOM 501 O O . GLY A 1 62 ? -9.801 -13.560 9.853 1.00 97.50 62 A 1 ATOM 502 N N . ILE A 1 63 ? -8.095 -12.237 10.481 1.00 98.37 63 A 1 ATOM 503 C CA . ILE A 1 63 ? -7.718 -11.793 9.138 1.00 98.46 63 A 1 ATOM 504 C C . ILE A 1 63 ? -6.799 -12.850 8.519 1.00 98.48 63 A 1 ATOM 505 O O . ILE A 1 63 ? -5.847 -13.298 9.162 1.00 98.18 63 A 1 ATOM 506 C CB . ILE A 1 63 ? -7.056 -10.396 9.181 1.00 98.37 63 A 1 ATOM 507 C CG1 . ILE A 1 63 ? -8.036 -9.336 9.743 1.00 97.91 63 A 1 ATOM 508 C CG2 . ILE A 1 63 ? -6.571 -9.970 7.784 1.00 97.91 63 A 1 ATOM 509 C CD1 . ILE A 1 63 ? -7.371 -8.004 10.112 1.00 96.86 63 A 1 ATOM 510 N N . LYS A 1 64 ? -7.073 -13.225 7.272 1.00 98.44 64 A 1 ATOM 511 C CA . LYS A 1 64 ? -6.197 -14.043 6.422 1.00 98.35 64 A 1 ATOM 512 C C . LYS A 1 64 ? -5.339 -13.092 5.582 1.00 98.45 64 A 1 ATOM 513 O O . LYS A 1 64 ? -5.885 -12.510 4.645 1.00 97.96 64 A 1 ATOM 514 C CB . LYS A 1 64 ? -7.042 -14.982 5.546 1.00 97.73 64 A 1 ATOM 515 C CG . LYS A 1 64 ? -7.806 -16.042 6.361 1.00 88.53 64 A 1 ATOM 516 C CD . LYS A 1 64 ? -8.744 -16.868 5.458 1.00 83.74 64 A 1 ATOM 517 C CE . LYS A 1 64 ? -9.595 -17.845 6.288 1.00 73.45 64 A 1 ATOM 518 N NZ . LYS A 1 64 ? -10.737 -18.415 5.514 1.00 62.20 64 A 1 ATOM 519 N N . PRO A 1 65 ? -4.057 -12.863 5.934 1.00 98.48 65 A 1 ATOM 520 C CA . PRO A 1 65 ? -3.206 -11.916 5.220 1.00 98.46 65 A 1 ATOM 521 C C . PRO A 1 65 ? -2.848 -12.409 3.820 1.00 98.41 65 A 1 ATOM 522 O O . PRO A 1 65 ? -2.583 -13.596 3.642 1.00 97.89 65 A 1 ATOM 523 C CB . PRO A 1 65 ? -1.948 -11.732 6.076 1.00 98.07 65 A 1 ATOM 524 C CG . PRO A 1 65 ? -2.362 -12.225 7.455 1.00 96.84 65 A 1 ATOM 525 C CD . PRO A 1 65 ? -3.343 -13.341 7.111 1.00 98.17 65 A 1 ATOM 526 N N . GLU A 1 66 ? -2.777 -11.488 2.879 1.00 97.81 66 A 1 ATOM 527 C CA . GLU A 1 66 ? -2.273 -11.714 1.526 1.00 97.43 66 A 1 ATOM 528 C C . GLU A 1 66 ? -1.550 -10.462 0.995 1.00 97.75 66 A 1 ATOM 529 O O . GLU A 1 66 ? -1.771 -9.357 1.518 1.00 97.01 66 A 1 ATOM 530 C CB . GLU A 1 66 ? -3.409 -12.195 0.595 1.00 94.72 66 A 1 ATOM 531 C CG . GLU A 1 66 ? -4.559 -11.206 0.385 1.00 89.36 66 A 1 ATOM 532 C CD . GLU A 1 66 ? -5.691 -11.786 -0.491 1.00 92.91 66 A 1 ATOM 533 O OE1 . GLU A 1 66 ? -6.165 -11.081 -1.413 1.00 85.68 66 A 1 ATOM 534 O OE2 . GLU A 1 66 ? -6.136 -12.924 -0.232 1.00 88.44 66 A 1 ATOM 535 N N . PRO A 1 67 ? -0.644 -10.605 0.013 1.00 97.37 67 A 1 ATOM 536 C CA . PRO A 1 67 ? -0.081 -9.455 -0.690 1.00 97.17 67 A 1 ATOM 537 C C . PRO A 1 67 ? -1.152 -8.760 -1.547 1.00 96.93 67 A 1 ATOM 538 O O . PRO A 1 67 ? -2.194 -9.341 -1.847 1.00 95.94 67 A 1 ATOM 539 C CB . PRO A 1 67 ? 1.070 -10.026 -1.524 1.00 96.30 67 A 1 ATOM 540 C CG . PRO A 1 67 ? 0.607 -11.447 -1.829 1.00 94.45 67 A 1 ATOM 541 C CD . PRO A 1 67 ? -0.153 -11.846 -0.569 1.00 96.52 67 A 1 ATOM 542 N N . ILE A 1 68 ? -0.892 -7.508 -1.935 1.00 96.13 68 A 1 ATOM 543 C CA . ILE A 1 68 ? -1.783 -6.724 -2.815 1.00 94.95 68 A 1 ATOM 544 C C . ILE A 1 68 ? -1.966 -7.409 -4.176 1.00 94.51 68 A 1 ATOM 545 O O . ILE A 1 68 ? -3.076 -7.448 -4.699 1.00 90.62 68 A 1 ATOM 546 C CB . ILE A 1 68 ? -1.226 -5.282 -2.953 1.00 91.84 68 A 1 ATOM 547 C CG1 . ILE A 1 68 ? -1.533 -4.495 -1.662 1.00 83.65 68 A 1 ATOM 548 C CG2 . ILE A 1 68 ? -1.796 -4.539 -4.172 1.00 82.07 68 A 1 ATOM 549 C CD1 . ILE A 1 68 ? -0.871 -3.114 -1.587 1.00 80.19 68 A 1 ATOM 550 N N . ASP A 1 69 ? -0.884 -7.956 -4.720 1.00 95.02 69 A 1 ATOM 551 C CA . ASP A 1 69 ? -0.825 -8.630 -6.014 1.00 93.64 69 A 1 ATOM 552 C C . ASP A 1 69 ? 0.301 -9.679 -6.021 1.00 93.96 69 A 1 ATOM 553 O O . ASP A 1 69 ? 0.959 -9.933 -5.006 1.00 92.14 69 A 1 ATOM 554 C CB . ASP A 1 69 ? -0.664 -7.579 -7.135 1.00 91.04 69 A 1 ATOM 555 C CG . ASP A 1 69 ? 0.576 -6.710 -6.938 1.00 88.94 69 A 1 ATOM 556 O OD1 . ASP A 1 69 ? 1.658 -7.297 -6.730 1.00 82.97 69 A 1 ATOM 557 O OD2 . ASP A 1 69 ? 0.428 -5.475 -6.911 1.00 83.06 69 A 1 ATOM 558 N N . SER A 1 70 ? 0.502 -10.323 -7.168 1.00 93.66 70 A 1 ATOM 559 C CA . SER A 1 70 ? 1.499 -11.384 -7.356 1.00 92.63 70 A 1 ATOM 560 C C . SER A 1 70 ? 2.956 -10.901 -7.405 1.00 92.10 70 A 1 ATOM 561 O O . SER A 1 70 ? 3.857 -11.732 -7.302 1.00 88.64 70 A 1 ATOM 562 C CB . SER A 1 70 ? 1.180 -12.162 -8.636 1.00 92.03 70 A 1 ATOM 563 O OG . SER A 1 70 ? 1.070 -11.295 -9.752 1.00 88.05 70 A 1 ATOM 564 N N . GLU A 1 71 ? 3.204 -9.614 -7.571 1.00 91.29 71 A 1 ATOM 565 C CA . GLU A 1 71 ? 4.558 -9.039 -7.635 1.00 89.56 71 A 1 ATOM 566 C C . GLU A 1 71 ? 5.091 -8.716 -6.233 1.00 89.03 71 A 1 ATOM 567 O O . GLU A 1 71 ? 6.301 -8.729 -5.971 1.00 85.13 71 A 1 ATOM 568 C CB . GLU A 1 71 ? 4.562 -7.786 -8.522 1.00 88.98 71 A 1 ATOM 569 C CG . GLU A 1 71 ? 4.036 -8.064 -9.941 1.00 83.51 71 A 1 ATOM 570 C CD . GLU A 1 71 ? 4.267 -6.902 -10.925 1.00 75.43 71 A 1 ATOM 571 O OE1 . GLU A 1 71 ? 4.173 -7.180 -12.143 1.00 68.05 71 A 1 ATOM 572 O OE2 . GLU A 1 71 ? 4.595 -5.784 -10.470 1.00 68.53 71 A 1 ATOM 573 N N . HIS A 1 72 ? 4.175 -8.517 -5.283 1.00 92.41 72 A 1 ATOM 574 C CA . HIS A 1 72 ? 4.486 -8.249 -3.887 1.00 92.06 72 A 1 ATOM 575 C C . HIS A 1 72 ? 4.656 -9.543 -3.077 1.00 92.80 72 A 1 ATOM 576 O O . HIS A 1 72 ? 3.914 -10.508 -3.198 1.00 90.10 72 A 1 ATOM 577 C CB . HIS A 1 72 ? 3.411 -7.322 -3.306 1.00 90.30 72 A 1 ATOM 578 C CG . HIS A 1 72 ? 3.461 -5.930 -3.902 1.00 88.89 72 A 1 ATOM 579 N ND1 . HIS A 1 72 ? 2.934 -5.535 -5.110 1.00 77.57 72 A 1 ATOM 580 C CD2 . HIS A 1 72 ? 4.080 -4.835 -3.364 1.00 78.85 72 A 1 ATOM 581 C CE1 . HIS A 1 72 ? 3.235 -4.239 -5.290 1.00 78.82 72 A 1 ATOM 582 N NE2 . HIS A 1 72 ? 3.934 -3.763 -4.250 1.00 81.69 72 A 1 ATOM 583 N N . ASN A 1 73 ? 5.625 -9.544 -2.155 1.00 92.16 73 A 1 ATOM 584 C CA . ASN A 1 73 ? 5.832 -10.660 -1.219 1.00 92.17 73 A 1 ATOM 585 C C . ASN A 1 73 ? 5.430 -10.311 0.228 1.00 94.01 73 A 1 ATOM 586 O O . ASN A 1 73 ? 5.471 -11.160 1.117 1.00 91.70 73 A 1 ATOM 587 C CB . ASN A 1 73 ? 7.291 -11.130 -1.329 1.00 88.05 73 A 1 ATOM 588 C CG . ASN A 1 73 ? 7.518 -12.462 -0.626 1.00 74.76 73 A 1 ATOM 589 O OD1 . ASN A 1 73 ? 6.724 -13.379 -0.660 1.00 64.38 73 A 1 ATOM 590 N ND2 . ASN A 1 73 ? 8.623 -12.624 0.061 1.00 64.85 73 A 1 ATOM 591 N N . VAL A 1 74 ? 5.068 -9.056 0.488 1.00 94.72 74 A 1 ATOM 592 C CA . VAL A 1 74 ? 4.675 -8.540 1.802 1.00 95.26 74 A 1 ATOM 593 C C . VAL A 1 74 ? 3.157 -8.441 1.861 1.00 96.28 74 A 1 ATOM 594 O O . VAL A 1 74 ? 2.539 -7.783 1.028 1.00 95.74 74 A 1 ATOM 595 C CB . VAL A 1 74 ? 5.332 -7.183 2.101 1.00 93.65 74 A 1 ATOM 596 C CG1 . VAL A 1 74 ? 4.959 -6.689 3.508 1.00 90.87 74 A 1 ATOM 597 C CG2 . VAL A 1 74 ? 6.862 -7.272 2.022 1.00 90.83 74 A 1 ATOM 598 N N . CYS A 1 75 ? 2.550 -9.078 2.876 1.00 96.70 75 A 1 ATOM 599 C CA . CYS A 1 75 ? 1.119 -8.966 3.118 1.00 97.10 75 A 1 ATOM 600 C C . CYS A 1 75 ? 0.786 -7.575 3.660 1.00 96.92 75 A 1 ATOM 601 O O . CYS A 1 75 ? 1.262 -7.200 4.733 1.00 96.18 75 A 1 ATOM 602 C CB . CYS A 1 75 ? 0.678 -10.036 4.115 1.00 97.38 75 A 1 ATOM 603 S SG . CYS A 1 75 ? 0.998 -11.699 3.484 1.00 97.22 75 A 1 ATOM 604 N N . SER A 1 76 ? -0.081 -6.858 2.973 1.00 97.17 76 A 1 ATOM 605 C CA . SER A 1 76 ? -0.592 -5.543 3.384 1.00 97.17 76 A 1 ATOM 606 C C . SER A 1 76 ? -2.115 -5.445 3.295 1.00 97.59 76 A 1 ATOM 607 O O . SER A 1 76 ? -2.699 -4.469 3.753 1.00 96.76 76 A 1 ATOM 608 C CB . SER A 1 76 ? 0.082 -4.453 2.555 1.00 96.02 76 A 1 ATOM 609 O OG . SER A 1 76 ? 0.003 -4.791 1.195 1.00 93.30 76 A 1 ATOM 610 N N . ILE A 1 77 ? -2.772 -6.491 2.798 1.00 97.84 77 A 1 ATOM 611 C CA . ILE A 1 77 ? -4.227 -6.663 2.837 1.00 97.98 77 A 1 ATOM 612 C C . ILE A 1 77 ? -4.600 -8.042 3.397 1.00 98.12 77 A 1 ATOM 613 O O . ILE A 1 77 ? -3.755 -8.921 3.574 1.00 97.83 77 A 1 ATOM 614 C CB . ILE A 1 77 ? -4.879 -6.401 1.461 1.00 97.64 77 A 1 ATOM 615 C CG1 . ILE A 1 77 ? -4.439 -7.424 0.403 1.00 96.31 77 A 1 ATOM 616 C CG2 . ILE A 1 77 ? -4.606 -4.959 1.007 1.00 95.15 77 A 1 ATOM 617 C CD1 . ILE A 1 77 ? -5.287 -7.391 -0.865 1.00 94.71 77 A 1 ATOM 618 N N . GLY A 1 78 ? -5.886 -8.242 3.712 1.00 98.36 78 A 1 ATOM 619 C CA . GLY A 1 78 ? -6.399 -9.559 4.064 1.00 98.43 78 A 1 ATOM 620 C C . GLY A 1 78 ? -7.888 -9.567 4.372 1.00 98.56 78 A 1 ATOM 621 O O . GLY A 1 78 ? -8.464 -8.566 4.794 1.00 98.27 78 A 1 ATOM 622 N N . PHE A 1 79 ? -8.515 -10.734 4.201 1.00 98.25 79 A 1 ATOM 623 C CA . PHE A 1 79 ? -9.948 -10.901 4.421 1.00 98.34 79 A 1 ATOM 624 C C . PHE A 1 79 ? -10.256 -11.418 5.830 1.00 98.39 79 A 1 ATOM 625 O O . PHE A 1 79 ? -9.637 -12.365 6.319 1.00 98.01 79 A 1 ATOM 626 C CB . PHE A 1 79 ? -10.536 -11.819 3.351 1.00 98.11 79 A 1 ATOM 627 C CG . PHE A 1 79 ? -12.052 -11.881 3.376 1.00 98.08 79 A 1 ATOM 628 C CD1 . PHE A 1 79 ? -12.710 -13.100 3.634 1.00 96.17 79 A 1 ATOM 629 C CD2 . PHE A 1 79 ? -12.809 -10.719 3.142 1.00 96.54 79 A 1 ATOM 630 C CE1 . PHE A 1 79 ? -14.114 -13.156 3.638 1.00 95.35 79 A 1 ATOM 631 C CE2 . PHE A 1 79 ? -14.213 -10.774 3.152 1.00 95.52 79 A 1 ATOM 632 C CZ . PHE A 1 79 ? -14.866 -11.994 3.396 1.00 97.02 79 A 1 ATOM 633 N N . CYS A 1 80 ? -11.254 -10.820 6.492 1.00 98.24 80 A 1 ATOM 634 C CA . CYS A 1 80 ? -11.831 -11.305 7.739 1.00 98.34 80 A 1 ATOM 635 C C . CYS A 1 80 ? -13.212 -11.910 7.466 1.00 98.39 80 A 1 ATOM 636 O O . CYS A 1 80 ? -14.207 -11.198 7.325 1.00 97.99 80 A 1 ATOM 637 C CB . CYS A 1 80 ? -11.890 -10.170 8.759 1.00 98.15 80 A 1 ATOM 638 S SG . CYS A 1 80 ? -12.505 -10.829 10.337 1.00 97.72 80 A 1 ATOM 639 N N . GLU A 1 81 ? -13.272 -13.232 7.452 1.00 98.06 81 A 1 ATOM 640 C CA . GLU A 1 81 ? -14.496 -13.986 7.146 1.00 97.99 81 A 1 ATOM 641 C C . GLU A 1 81 ? -15.615 -13.728 8.159 1.00 98.26 81 A 1 ATOM 642 O O . GLU A 1 81 ? -16.766 -13.532 7.783 1.00 97.37 81 A 1 ATOM 643 C CB . GLU A 1 81 ? -14.104 -15.466 7.084 1.00 96.77 81 A 1 ATOM 644 C CG . GLU A 1 81 ? -15.213 -16.379 6.545 1.00 86.48 81 A 1 ATOM 645 C CD . GLU A 1 81 ? -14.693 -17.804 6.253 1.00 80.33 81 A 1 ATOM 646 O OE1 . GLU A 1 81 ? -15.510 -18.625 5.805 1.00 72.11 81 A 1 ATOM 647 O OE2 . GLU A 1 81 ? -13.468 -18.066 6.439 1.00 71.65 81 A 1 ATOM 648 N N . LYS A 1 82 ? -15.269 -13.636 9.458 1.00 98.15 82 A 1 ATOM 649 C CA . LYS A 1 82 ? -16.229 -13.361 10.538 1.00 97.87 82 A 1 ATOM 650 C C . LYS A 1 82 ? -16.920 -12.002 10.389 1.00 98.26 82 A 1 ATOM 651 O O . LYS A 1 82 ? -18.082 -11.868 10.758 1.00 97.51 82 A 1 ATOM 652 C CB . LYS A 1 82 ? -15.489 -13.456 11.882 1.00 96.21 82 A 1 ATOM 653 C CG . LYS A 1 82 ? -16.426 -13.204 13.071 1.00 87.50 82 A 1 ATOM 654 C CD . LYS A 1 82 ? -15.664 -13.208 14.393 1.00 85.18 82 A 1 ATOM 655 C CE . LYS A 1 82 ? -16.633 -12.808 15.508 1.00 73.58 82 A 1 ATOM 656 N NZ . LYS A 1 82 ? -15.930 -12.617 16.796 1.00 66.13 82 A 1 ATOM 657 N N . GLU A 1 83 ? -16.187 -11.000 9.927 1.00 98.09 83 A 1 ATOM 658 C CA . GLU A 1 83 ? -16.689 -9.624 9.802 1.00 98.10 83 A 1 ATOM 659 C C . GLU A 1 83 ? -17.157 -9.284 8.384 1.00 98.41 83 A 1 ATOM 660 O O . GLU A 1 83 ? -17.734 -8.222 8.186 1.00 97.80 83 A 1 ATOM 661 C CB . GLU A 1 83 ? -15.609 -8.642 10.265 1.00 97.41 83 A 1 ATOM 662 C CG . GLU A 1 83 ? -15.325 -8.773 11.771 1.00 95.75 83 A 1 ATOM 663 C CD . GLU A 1 83 ? -14.242 -7.813 12.254 1.00 93.75 83 A 1 ATOM 664 O OE1 . GLU A 1 83 ? -13.585 -8.149 13.272 1.00 86.00 83 A 1 ATOM 665 O OE2 . GLU A 1 83 ? -14.061 -6.757 11.616 1.00 86.67 83 A 1 ATOM 666 N N . GLN A 1 84 ? -16.919 -10.173 7.415 1.00 98.25 84 A 1 ATOM 667 C CA . GLN A 1 84 ? -17.160 -9.940 5.990 1.00 98.44 84 A 1 ATOM 668 C C . GLN A 1 84 ? -16.523 -8.617 5.516 1.00 98.58 84 A 1 ATOM 669 O O . GLN A 1 84 ? -17.153 -7.785 4.864 1.00 97.98 84 A 1 ATOM 670 C CB . GLN A 1 84 ? -18.659 -10.064 5.667 1.00 98.14 84 A 1 ATOM 671 C CG . GLN A 1 84 ? -19.203 -11.487 5.890 1.00 96.30 84 A 1 ATOM 672 C CD . GLN A 1 84 ? -18.651 -12.479 4.871 1.00 95.66 84 A 1 ATOM 673 O OE1 . GLN A 1 84 ? -18.888 -12.371 3.684 1.00 88.80 84 A 1 ATOM 674 N NE2 . GLN A 1 84 ? -17.881 -13.463 5.280 1.00 88.88 84 A 1 ATOM 675 N N . LYS A 1 85 ? -15.258 -8.417 5.914 1.00 98.44 85 A 1 ATOM 676 C CA . LYS A 1 85 ? -14.487 -7.209 5.614 1.00 98.50 85 A 1 ATOM 677 C C . LYS A 1 85 ? -13.107 -7.539 5.067 1.00 98.57 85 A 1 ATOM 678 O O . LYS A 1 85 ? -12.439 -8.453 5.555 1.00 98.13 85 A 1 ATOM 679 C CB . LYS A 1 85 ? -14.359 -6.318 6.856 1.00 98.12 85 A 1 ATOM 680 C CG . LYS A 1 85 ? -15.670 -5.595 7.177 1.00 97.06 85 A 1 ATOM 681 C CD . LYS A 1 85 ? -15.509 -4.668 8.381 1.00 95.88 85 A 1 ATOM 682 C CE . LYS A 1 85 ? -16.844 -3.989 8.672 1.00 91.44 85 A 1 ATOM 683 N NZ . LYS A 1 85 ? -16.696 -2.945 9.715 1.00 84.38 85 A 1 ATOM 684 N N . TRP A 1 86 ? -12.677 -6.732 4.111 1.00 98.23 86 A 1 ATOM 685 C CA . TRP A 1 86 ? -11.295 -6.634 3.677 1.00 98.23 86 A 1 ATOM 686 C C . TRP A 1 86 ? -10.568 -5.591 4.515 1.00 98.20 86 A 1 ATOM 687 O O . TRP A 1 86 ? -11.103 -4.524 4.787 1.00 97.59 86 A 1 ATOM 688 C CB . TRP A 1 86 ? -11.246 -6.300 2.193 1.00 97.99 86 A 1 ATOM 689 C CG . TRP A 1 86 ? -11.486 -7.492 1.326 1.00 98.00 86 A 1 ATOM 690 C CD1 . TRP A 1 86 ? -12.661 -7.853 0.765 1.00 97.21 86 A 1 ATOM 691 C CD2 . TRP A 1 86 ? -10.525 -8.512 0.941 1.00 97.94 86 A 1 ATOM 692 N NE1 . TRP A 1 86 ? -12.497 -9.026 0.055 1.00 97.05 86 A 1 ATOM 693 C CE2 . TRP A 1 86 ? -11.196 -9.478 0.131 1.00 97.54 86 A 1 ATOM 694 C CE3 . TRP A 1 86 ? -9.154 -8.720 1.196 1.00 97.47 86 A 1 ATOM 695 C CZ2 . TRP A 1 86 ? -10.536 -10.594 -0.396 1.00 97.06 86 A 1 ATOM 696 C CZ3 . TRP A 1 86 ? -8.481 -9.838 0.666 1.00 97.02 86 A 1 ATOM 697 C CH2 . TRP A 1 86 ? -9.171 -10.773 -0.128 1.00 96.55 86 A 1 ATOM 698 N N . TYR A 1 87 ? -9.362 -5.912 4.931 1.00 98.00 87 A 1 ATOM 699 C CA . TYR A 1 87 ? -8.498 -5.031 5.703 1.00 98.08 87 A 1 ATOM 700 C C . TYR A 1 87 ? -7.293 -4.631 4.861 1.00 98.15 87 A 1 ATOM 701 O O . TYR A 1 87 ? -6.675 -5.496 4.257 1.00 97.81 87 A 1 ATOM 702 C CB . TYR A 1 87 ? -8.084 -5.731 6.994 1.00 98.03 87 A 1 ATOM 703 C CG . TYR A 1 87 ? -9.165 -5.706 8.058 1.00 98.05 87 A 1 ATOM 704 C CD1 . TYR A 1 87 ? -9.158 -4.666 8.997 1.00 96.77 87 A 1 ATOM 705 C CD2 . TYR A 1 87 ? -10.189 -6.678 8.089 1.00 96.67 87 A 1 ATOM 706 C CE1 . TYR A 1 87 ? -10.174 -4.574 9.958 1.00 96.29 87 A 1 ATOM 707 C CE2 . TYR A 1 87 ? -11.213 -6.585 9.052 1.00 96.20 87 A 1 ATOM 708 C CZ . TYR A 1 87 ? -11.205 -5.521 9.983 1.00 96.90 87 A 1 ATOM 709 O OH . TYR A 1 87 ? -12.191 -5.371 10.902 1.00 95.91 87 A 1 ATOM 710 N N . GLY A 1 88 ? -6.946 -3.346 4.881 1.00 97.15 88 A 1 ATOM 711 C CA . GLY A 1 88 ? -5.661 -2.825 4.420 1.00 96.92 88 A 1 ATOM 712 C C . GLY A 1 88 ? -4.853 -2.322 5.610 1.00 96.87 88 A 1 ATOM 713 O O . GLY A 1 88 ? -5.430 -1.839 6.593 1.00 96.10 88 A 1 ATOM 714 N N . TRP A 1 89 ? -3.514 -2.457 5.561 1.00 96.79 89 A 1 ATOM 715 C CA . TRP A 1 89 ? -2.653 -1.970 6.644 1.00 96.85 89 A 1 ATOM 716 C C . TRP A 1 89 ? -1.231 -1.640 6.198 1.00 96.39 89 A 1 ATOM 717 O O . TRP A 1 89 ? -0.725 -2.154 5.211 1.00 95.12 89 A 1 ATOM 718 C CB . TRP A 1 89 ? -2.607 -2.976 7.801 1.00 96.76 89 A 1 ATOM 719 C CG . TRP A 1 89 ? -1.964 -4.299 7.504 1.00 97.10 89 A 1 ATOM 720 C CD1 . TRP A 1 89 ? -0.641 -4.582 7.602 1.00 96.07 89 A 1 ATOM 721 C CD2 . TRP A 1 89 ? -2.595 -5.524 7.029 1.00 97.02 89 A 1 ATOM 722 N NE1 . TRP A 1 89 ? -0.411 -5.891 7.214 1.00 96.02 89 A 1 ATOM 723 C CE2 . TRP A 1 89 ? -1.584 -6.517 6.849 1.00 96.75 89 A 1 ATOM 724 C CE3 . TRP A 1 89 ? -3.922 -5.890 6.724 1.00 96.60 89 A 1 ATOM 725 C CZ2 . TRP A 1 89 ? -1.876 -7.808 6.382 1.00 96.37 89 A 1 ATOM 726 C CZ3 . TRP A 1 89 ? -4.228 -7.180 6.260 1.00 95.94 89 A 1 ATOM 727 C CH2 . TRP A 1 89 ? -3.211 -8.134 6.082 1.00 95.57 89 A 1 ATOM 728 N N . SER A 1 90 ? -0.569 -0.846 7.048 1.00 94.59 90 A 1 ATOM 729 C CA . SER A 1 90 ? 0.880 -0.692 7.132 1.00 92.82 90 A 1 ATOM 730 C C . SER A 1 90 ? 1.343 -0.877 8.586 1.00 91.52 90 A 1 ATOM 731 O O . SER A 1 90 ? 0.575 -1.276 9.471 1.00 89.10 90 A 1 ATOM 732 C CB . SER A 1 90 ? 1.288 0.680 6.582 1.00 91.30 90 A 1 ATOM 733 O OG . SER A 1 90 ? 0.990 1.706 7.521 1.00 86.35 90 A 1 ATOM 734 N N . HIS A 1 91 ? 2.602 -0.549 8.876 1.00 90.21 91 A 1 ATOM 735 C CA . HIS A 1 91 ? 3.121 -0.503 10.247 1.00 88.41 91 A 1 ATOM 736 C C . HIS A 1 91 ? 2.464 0.590 11.119 1.00 88.74 91 A 1 ATOM 737 O O . HIS A 1 91 ? 2.531 0.506 12.344 1.00 85.70 91 A 1 ATOM 738 C CB . HIS A 1 91 ? 4.647 -0.342 10.194 1.00 85.18 91 A 1 ATOM 739 C CG . HIS A 1 91 ? 5.110 0.984 9.644 1.00 79.11 91 A 1 ATOM 740 N ND1 . HIS A 1 91 ? 5.217 1.339 8.319 1.00 70.39 91 A 1 ATOM 741 C CD2 . HIS A 1 91 ? 5.513 2.065 10.385 1.00 68.38 91 A 1 ATOM 742 C CE1 . HIS A 1 91 ? 5.672 2.606 8.268 1.00 66.09 91 A 1 ATOM 743 N NE2 . HIS A 1 91 ? 5.869 3.086 9.497 1.00 66.94 91 A 1 ATOM 744 N N . ARG A 1 92 ? 1.808 1.597 10.502 1.00 88.29 92 A 1 ATOM 745 C CA . ARG A 1 92 ? 1.201 2.765 11.172 1.00 88.37 92 A 1 ATOM 746 C C . ARG A 1 92 ? -0.313 2.657 11.325 1.00 90.24 92 A 1 ATOM 747 O O . ARG A 1 92 ? -0.850 3.123 12.328 1.00 88.22 92 A 1 ATOM 748 C CB . ARG A 1 92 ? 1.560 4.043 10.392 1.00 84.89 92 A 1 ATOM 749 C CG . ARG A 1 92 ? 3.067 4.347 10.418 1.00 78.74 92 A 1 ATOM 750 C CD . ARG A 1 92 ? 3.421 5.599 9.616 1.00 73.78 92 A 1 ATOM 751 N NE . ARG A 1 92 ? 3.269 5.376 8.167 1.00 65.60 92 A 1 ATOM 752 C CZ . ARG A 1 92 ? 3.341 6.291 7.215 1.00 58.84 92 A 1 ATOM 753 N NH1 . ARG A 1 92 ? 3.578 7.549 7.472 1.00 53.67 92 A 1 ATOM 754 N NH2 . ARG A 1 92 ? 3.174 5.952 5.968 1.00 50.69 92 A 1 ATOM 755 N N . ALA A 1 93 ? -0.991 2.061 10.346 1.00 92.41 93 A 1 ATOM 756 C CA . ALA A 1 93 ? -2.448 2.078 10.281 1.00 92.98 93 A 1 ATOM 757 C C . ALA A 1 93 ? -3.033 0.751 9.782 1.00 93.85 93 A 1 ATOM 758 O O . ALA A 1 93 ? -2.404 0.013 9.030 1.00 92.96 93 A 1 ATOM 759 C CB . ALA A 1 93 ? -2.887 3.258 9.407 1.00 91.53 93 A 1 ATOM 760 N N . ILE A 1 94 ? -4.271 0.449 10.217 1.00 95.46 94 A 1 ATOM 761 C CA . ILE A 1 94 ? -5.084 -0.657 9.707 1.00 96.10 94 A 1 ATOM 762 C C . ILE A 1 94 ? -6.541 -0.208 9.653 1.00 96.04 94 A 1 ATOM 763 O O . ILE A 1 94 ? -7.056 0.328 10.636 1.00 94.87 94 A 1 ATOM 764 C CB . ILE A 1 94 ? -4.891 -1.950 10.535 1.00 95.81 94 A 1 ATOM 765 C CG1 . ILE A 1 94 ? -5.725 -3.109 9.924 1.00 95.05 94 A 1 ATOM 766 C CG2 . ILE A 1 94 ? -5.214 -1.771 12.029 1.00 93.68 94 A 1 ATOM 767 C CD1 . ILE A 1 94 ? -5.394 -4.492 10.499 1.00 92.67 94 A 1 ATOM 768 N N . TYR A 1 95 ? -7.212 -0.488 8.532 1.00 96.04 95 A 1 ATOM 769 C CA . TYR A 1 95 ? -8.624 -0.168 8.349 1.00 96.25 95 A 1 ATOM 770 C C . TYR A 1 95 ? -9.358 -1.294 7.618 1.00 96.71 95 A 1 ATOM 771 O O . TYR A 1 95 ? -8.748 -2.061 6.872 1.00 96.46 95 A 1 ATOM 772 C CB . TYR A 1 95 ? -8.751 1.172 7.629 1.00 95.78 95 A 1 ATOM 773 C CG . TYR A 1 95 ? -10.110 1.808 7.833 1.00 94.55 95 A 1 ATOM 774 C CD1 . TYR A 1 95 ? -11.133 1.619 6.881 1.00 90.81 95 A 1 ATOM 775 C CD2 . TYR A 1 95 ? -10.358 2.575 8.986 1.00 90.63 95 A 1 ATOM 776 C CE1 . TYR A 1 95 ? -12.395 2.207 7.079 1.00 89.00 95 A 1 ATOM 777 C CE2 . TYR A 1 95 ? -11.621 3.164 9.187 1.00 88.79 95 A 1 ATOM 778 C CZ . TYR A 1 95 ? -12.641 2.981 8.231 1.00 89.96 95 A 1 ATOM 779 O OH . TYR A 1 95 ? -13.860 3.552 8.414 1.00 88.32 95 A 1 ATOM 780 N N . GLY A 1 96 ? -10.662 -1.445 7.889 1.00 97.31 96 A 1 ATOM 781 C CA . GLY A 1 96 ? -11.479 -2.530 7.352 1.00 97.48 96 A 1 ATOM 782 C C . GLY A 1 96 ? -12.678 -2.018 6.564 1.00 97.69 96 A 1 ATOM 783 O O . GLY A 1 96 ? -13.460 -1.215 7.074 1.00 96.85 96 A 1 ATOM 784 N N . PHE A 1 97 ? -12.847 -2.543 5.363 1.00 97.10 97 A 1 ATOM 785 C CA . PHE A 1 97 ? -13.864 -2.177 4.387 1.00 97.10 97 A 1 ATOM 786 C C . PHE A 1 97 ? -14.804 -3.356 4.138 1.00 97.66 97 A 1 ATOM 787 O O . PHE A 1 97 ? -14.377 -4.504 4.031 1.00 97.24 97 A 1 ATOM 788 C CB . PHE A 1 97 ? -13.183 -1.722 3.094 1.00 96.35 97 A 1 ATOM 789 C CG . PHE A 1 97 ? -12.180 -0.602 3.298 1.00 96.59 97 A 1 ATOM 790 C CD1 . PHE A 1 97 ? -12.610 0.735 3.299 1.00 94.75 97 A 1 ATOM 791 C CD2 . PHE A 1 97 ? -10.820 -0.901 3.505 1.00 95.23 97 A 1 ATOM 792 C CE1 . PHE A 1 97 ? -11.681 1.771 3.493 1.00 94.31 97 A 1 ATOM 793 C CE2 . PHE A 1 97 ? -9.893 0.138 3.703 1.00 94.46 97 A 1 ATOM 794 C CZ . PHE A 1 97 ? -10.322 1.473 3.691 1.00 94.84 97 A 1 ATOM 795 N N . GLY A 1 98 ? -16.098 -3.088 4.063 1.00 97.34 98 A 1 ATOM 796 C CA . GLY A 1 98 ? -17.135 -4.061 3.723 1.00 97.29 98 A 1 ATOM 797 C C . GLY A 1 98 ? -18.117 -3.472 2.717 1.00 97.75 98 A 1 ATOM 798 O O . GLY A 1 98 ? -17.979 -2.322 2.307 1.00 97.02 98 A 1 ATOM 799 N N . ILE A 1 99 ? -19.136 -4.237 2.342 1.00 97.43 99 A 1 ATOM 800 C CA . ILE A 1 99 ? -20.233 -3.723 1.510 1.00 97.75 99 A 1 ATOM 801 C C . ILE A 1 99 ? -20.883 -2.528 2.225 1.00 97.66 99 A 1 ATOM 802 O O . ILE A 1 99 ? -21.185 -2.597 3.417 1.00 96.56 99 A 1 ATOM 803 C CB . ILE A 1 99 ? -21.254 -4.843 1.196 1.00 97.49 99 A 1 ATOM 804 C CG1 . ILE A 1 99 ? -20.567 -5.978 0.400 1.00 96.31 99 A 1 ATOM 805 C CG2 . ILE A 1 99 ? -22.455 -4.275 0.418 1.00 96.05 99 A 1 ATOM 806 C CD1 . ILE A 1 99 ? -21.457 -7.202 0.140 1.00 94.06 99 A 1 ATOM 807 N N . GLY A 1 100 ? -21.082 -1.434 1.492 1.00 96.75 100 A 1 ATOM 808 C CA . GLY A 1 100 ? -21.589 -0.163 2.011 1.00 96.29 100 A 1 ATOM 809 C C . GLY A 1 100 ? -20.515 0.809 2.518 1.00 96.52 100 A 1 ATOM 810 O O . GLY A 1 100 ? -20.860 1.941 2.851 1.00 94.51 100 A 1 ATOM 811 N N . SER A 1 101 ? -19.233 0.414 2.568 1.00 96.43 101 A 1 ATOM 812 C CA . SER A 1 101 ? -18.139 1.353 2.848 1.00 95.95 101 A 1 ATOM 813 C C . SER A 1 101 ? -18.082 2.443 1.776 1.00 96.04 101 A 1 ATOM 814 O O . SER A 1 101 ? -18.280 2.169 0.593 1.00 95.50 101 A 1 ATOM 815 C CB . SER A 1 101 ? -16.783 0.649 2.928 1.00 95.92 101 A 1 ATOM 816 O OG . SER A 1 101 ? -16.753 -0.213 4.053 1.00 93.70 101 A 1 ATOM 817 N N . THR A 1 102 ? -17.824 3.677 2.196 1.00 94.85 102 A 1 ATOM 818 C CA . THR A 1 102 ? -17.767 4.849 1.314 1.00 94.36 102 A 1 ATOM 819 C C . THR A 1 102 ? -16.336 5.335 1.151 1.00 93.66 102 A 1 ATOM 820 O O . THR A 1 102 ? -15.586 5.314 2.124 1.00 91.84 102 A 1 ATOM 821 C CB . THR A 1 102 ? -18.624 6.003 1.858 1.00 93.88 102 A 1 ATOM 822 O OG1 . THR A 1 102 ? -18.213 6.363 3.159 1.00 89.21 102 A 1 ATOM 823 C CG2 . THR A 1 102 ? -20.105 5.637 1.943 1.00 87.20 102 A 1 ATOM 824 N N . CYS A 1 103 ? -15.993 5.826 -0.034 1.00 93.20 103 A 1 ATOM 825 C CA . CYS A 1 103 ? -14.767 6.553 -0.339 1.00 92.30 103 A 1 ATOM 826 C C . CYS A 1 103 ? -15.130 8.003 -0.662 1.00 92.80 103 A 1 ATOM 827 O O . CYS A 1 103 ? -16.020 8.229 -1.481 1.00 91.73 103 A 1 ATOM 828 C CB . CYS A 1 103 ? -14.078 5.865 -1.520 1.00 90.49 103 A 1 ATOM 829 S SG . CYS A 1 103 ? -12.448 6.606 -1.773 1.00 86.56 103 A 1 ATOM 830 N N . LYS A 1 104 ? -14.488 8.967 -0.001 1.00 87.80 104 A 1 ATOM 831 C CA . LYS A 1 104 ? -14.684 10.402 -0.223 1.00 86.30 104 A 1 ATOM 832 C C . LYS A 1 104 ? -13.342 11.101 -0.372 1.00 85.96 104 A 1 ATOM 833 O O . LYS A 1 104 ? -12.341 10.635 0.174 1.00 85.47 104 A 1 ATOM 834 C CB . LYS A 1 104 ? -15.454 11.032 0.941 1.00 86.18 104 A 1 ATOM 835 C CG . LYS A 1 104 ? -16.871 10.471 1.068 1.00 83.13 104 A 1 ATOM 836 C CD . LYS A 1 104 ? -17.619 11.242 2.152 1.00 79.56 104 A 1 ATOM 837 C CE . LYS A 1 104 ? -19.047 10.712 2.244 1.00 73.65 104 A 1 ATOM 838 N NZ . LYS A 1 104 ? -19.828 11.513 3.211 1.00 65.49 104 A 1 ATOM 839 N N . LYS A 1 105 ? -13.331 12.239 -1.055 1.00 86.96 105 A 1 ATOM 840 C CA . LYS A 1 105 ? -12.134 13.071 -1.154 1.00 85.36 105 A 1 ATOM 841 C C . LYS A 1 105 ? -11.611 13.424 0.248 1.00 85.91 105 A 1 ATOM 842 O O . LYS A 1 105 ? -12.370 13.875 1.106 1.00 83.13 105 A 1 ATOM 843 C CB . LYS A 1 105 ? -12.426 14.306 -2.026 1.00 81.86 105 A 1 ATOM 844 C CG . LYS A 1 105 ? -11.121 15.062 -2.322 1.00 75.79 105 A 1 ATOM 845 C CD . LYS A 1 105 ? -11.220 16.054 -3.481 1.00 73.17 105 A 1 ATOM 846 C CE . LYS A 1 105 ? -9.795 16.600 -3.694 1.00 67.26 105 A 1 ATOM 847 N NZ . LYS A 1 105 ? -9.499 17.057 -5.072 1.00 61.59 105 A 1 ATOM 848 N N . GLY A 1 106 ? -10.316 13.174 0.465 1.00 82.89 106 A 1 ATOM 849 C CA . GLY A 1 106 ? -9.640 13.308 1.758 1.00 81.68 106 A 1 ATOM 850 C C . GLY A 1 106 ? -9.494 12.006 2.553 1.00 83.79 106 A 1 ATOM 851 O O . GLY A 1 106 ? -8.690 11.964 3.483 1.00 81.84 106 A 1 ATOM 852 N N . ASP A 1 107 ? -10.203 10.924 2.196 1.00 83.60 107 A 1 ATOM 853 C CA . ASP A 1 107 ? -9.951 9.602 2.771 1.00 84.85 107 A 1 ATOM 854 C C . ASP A 1 107 ? -8.604 9.044 2.273 1.00 84.87 107 A 1 ATOM 855 O O . ASP A 1 107 ? -8.226 9.232 1.122 1.00 83.65 107 A 1 ATOM 856 C CB . ASP A 1 107 ? -11.086 8.619 2.431 1.00 85.79 107 A 1 ATOM 857 C CG . ASP A 1 107 ? -12.430 8.899 3.123 1.00 85.95 107 A 1 ATOM 858 O OD1 . ASP A 1 107 ? -12.437 9.541 4.199 1.00 82.37 107 A 1 ATOM 859 O OD2 . ASP A 1 107 ? -13.458 8.375 2.627 1.00 82.49 107 A 1 ATOM 860 N N . CYS A 1 108 ? -7.898 8.275 3.109 1.00 85.46 108 A 1 ATOM 861 C CA . CYS A 1 108 ? -6.611 7.673 2.733 1.00 84.83 108 A 1 ATOM 862 C C . CYS A 1 108 ? -6.698 6.724 1.524 1.00 85.01 108 A 1 ATOM 863 O O . CYS A 1 108 ? -5.699 6.493 0.863 1.00 83.40 108 A 1 ATOM 864 C CB . CYS A 1 108 ? -6.039 6.891 3.924 1.00 82.98 108 A 1 ATOM 865 S SG . CYS A 1 108 ? -5.667 7.988 5.320 1.00 76.63 108 A 1 ATOM 866 N N . HIS A 1 109 ? -7.862 6.140 1.253 1.00 87.08 109 A 1 ATOM 867 C CA . HIS A 1 109 ? -8.107 5.243 0.121 1.00 88.21 109 A 1 ATOM 868 C C . HIS A 1 109 ? -8.785 5.944 -1.066 1.00 88.99 109 A 1 ATOM 869 O O . HIS A 1 109 ? -9.279 5.274 -1.971 1.00 86.87 109 A 1 ATOM 870 C CB . HIS A 1 109 ? -8.901 4.018 0.607 1.00 87.86 109 A 1 ATOM 871 C CG . HIS A 1 109 ? -10.253 4.377 1.169 1.00 88.66 109 A 1 ATOM 872 N ND1 . HIS A 1 109 ? -10.489 4.995 2.382 1.00 79.63 109 A 1 ATOM 873 C CD2 . HIS A 1 109 ? -11.463 4.147 0.580 1.00 80.12 109 A 1 ATOM 874 C CE1 . HIS A 1 109 ? -11.814 5.133 2.516 1.00 82.20 109 A 1 ATOM 875 N NE2 . HIS A 1 109 ? -12.445 4.626 1.453 1.00 83.83 109 A 1 ATOM 876 N N . TYR A 1 110 ? -8.833 7.269 -1.055 1.00 83.85 110 A 1 ATOM 877 C CA . TYR A 1 110 ? -9.289 8.053 -2.193 1.00 83.80 110 A 1 ATOM 878 C C . TYR A 1 110 ? -8.222 8.076 -3.283 1.00 84.04 110 A 1 ATOM 879 O O . TYR A 1 110 ? -7.072 8.431 -3.017 1.00 82.33 110 A 1 ATOM 880 C CB . TYR A 1 110 ? -9.632 9.470 -1.738 1.00 83.07 110 A 1 ATOM 881 C CG . TYR A 1 110 ? -10.172 10.331 -2.857 1.00 81.37 110 A 1 ATOM 882 C CD1 . TYR A 1 110 ? -9.322 11.181 -3.596 1.00 78.20 110 A 1 ATOM 883 C CD2 . TYR A 1 110 ? -11.536 10.253 -3.178 1.00 78.06 110 A 1 ATOM 884 C CE1 . TYR A 1 110 ? -9.844 11.955 -4.647 1.00 75.65 110 A 1 ATOM 885 C CE2 . TYR A 1 110 ? -12.061 11.023 -4.224 1.00 75.71 110 A 1 ATOM 886 C CZ . TYR A 1 110 ? -11.217 11.877 -4.958 1.00 78.85 110 A 1 ATOM 887 O OH . TYR A 1 110 ? -11.751 12.618 -5.961 1.00 76.38 110 A 1 ATOM 888 N N . VAL A 1 111 ? -8.614 7.725 -4.499 1.00 81.10 111 A 1 ATOM 889 C CA . VAL A 1 111 ? -7.760 7.804 -5.691 1.00 81.29 111 A 1 ATOM 890 C C . VAL A 1 111 ? -8.475 8.677 -6.727 1.00 81.75 111 A 1 ATOM 891 O O . VAL A 1 111 ? -9.604 8.345 -7.107 1.00 79.33 111 A 1 ATOM 892 C CB . VAL A 1 111 ? -7.425 6.409 -6.252 1.00 80.79 111 A 1 ATOM 893 C CG1 . VAL A 1 111 ? -6.389 6.526 -7.379 1.00 75.94 111 A 1 ATOM 894 C CG2 . VAL A 1 111 ? -6.841 5.476 -5.183 1.00 76.57 111 A 1 ATOM 895 N N . PRO A 1 112 ? -7.852 9.790 -7.178 1.00 80.26 112 A 1 ATOM 896 C CA . PRO A 1 112 ? -8.434 10.742 -8.124 1.00 79.01 112 A 1 ATOM 897 C C . PRO A 1 112 ? -8.947 10.093 -9.415 1.00 79.12 112 A 1 ATOM 898 O O . PRO A 1 112 ? -8.408 9.089 -9.874 1.00 77.19 112 A 1 ATOM 899 C CB . PRO A 1 112 ? -7.321 11.748 -8.429 1.00 76.94 112 A 1 ATOM 900 C CG . PRO A 1 112 ? -6.495 11.751 -7.152 1.00 75.42 112 A 1 ATOM 901 C CD . PRO A 1 112 ? -6.562 10.292 -6.710 1.00 79.27 112 A 1 ATOM 902 N N . THR A 1 113 ? -9.973 10.688 -10.029 1.00 80.52 113 A 1 ATOM 903 C CA . THR A 1 113 ? -10.615 10.165 -11.252 1.00 78.98 113 A 1 ATOM 904 C C . THR A 1 113 ? -9.926 10.572 -12.546 1.00 79.26 113 A 1 ATOM 905 O O . THR A 1 113 ? -10.206 9.980 -13.589 1.00 75.60 113 A 1 ATOM 906 C CB . THR A 1 113 ? -12.081 10.603 -11.356 1.00 77.48 113 A 1 ATOM 907 O OG1 . THR A 1 113 ? -12.212 12.003 -11.247 1.00 73.62 113 A 1 ATOM 908 C CG2 . THR A 1 113 ? -12.942 9.979 -10.276 1.00 73.50 113 A 1 ATOM 909 N N . SER A 1 114 ? -9.066 11.578 -12.509 1.00 72.29 114 A 1 ATOM 910 C CA . SER A 1 114 ? -8.382 12.085 -13.696 1.00 72.05 114 A 1 ATOM 911 C C . SER A 1 114 ? -7.005 12.651 -13.361 1.00 73.04 114 A 1 ATOM 912 O O . SER A 1 114 ? -6.701 12.953 -12.205 1.00 71.44 114 A 1 ATOM 913 C CB . SER A 1 114 ? -9.264 13.111 -14.422 1.00 69.04 114 A 1 ATOM 914 O OG . SER A 1 114 ? -9.072 14.433 -13.968 1.00 64.62 114 A 1 ATOM 915 N N . PHE A 1 115 ? -6.186 12.806 -14.394 1.00 68.96 115 A 1 ATOM 916 C CA . PHE A 1 115 ? -4.864 13.401 -14.267 1.00 67.31 115 A 1 ATOM 917 C C . PHE A 1 115 ? -4.938 14.874 -13.839 1.00 68.59 115 A 1 ATOM 918 O O . PHE A 1 115 ? -4.139 15.318 -13.022 1.00 66.64 115 A 1 ATOM 919 C CB . PHE A 1 115 ? -4.128 13.230 -15.597 1.00 64.79 115 A 1 ATOM 920 C CG . PHE A 1 115 ? -2.733 13.807 -15.582 1.00 61.71 115 A 1 ATOM 921 C CD1 . PHE A 1 115 ? -2.412 14.905 -16.406 1.00 58.57 115 A 1 ATOM 922 C CD2 . PHE A 1 115 ? -1.760 13.265 -14.724 1.00 56.38 115 A 1 ATOM 923 C CE1 . PHE A 1 115 ? -1.118 15.450 -16.370 1.00 54.36 115 A 1 ATOM 924 C CE2 . PHE A 1 115 ? -0.470 13.817 -14.684 1.00 55.43 115 A 1 ATOM 925 C CZ . PHE A 1 115 ? -0.146 14.911 -15.509 1.00 55.64 115 A 1 ATOM 926 N N . GLU A 1 116 ? -5.947 15.601 -14.302 1.00 66.75 116 A 1 ATOM 927 C CA . GLU A 1 116 ? -6.178 16.995 -13.911 1.00 67.26 116 A 1 ATOM 928 C C . GLU A 1 116 ? -6.468 17.110 -12.409 1.00 68.26 116 A 1 ATOM 929 O O . GLU A 1 116 ? -5.980 18.025 -11.749 1.00 66.18 116 A 1 ATOM 930 C CB . GLU A 1 116 ? -7.358 17.607 -14.687 1.00 65.42 116 A 1 ATOM 931 C CG . GLU A 1 116 ? -7.218 17.586 -16.220 1.00 58.36 116 A 1 ATOM 932 C CD . GLU A 1 116 ? -7.442 16.204 -16.860 1.00 52.69 116 A 1 ATOM 933 O OE1 . GLU A 1 116 ? -7.057 16.037 -18.028 1.00 49.75 116 A 1 ATOM 934 O OE2 . GLU A 1 116 ? -7.989 15.307 -16.166 1.00 49.21 116 A 1 ATOM 935 N N . GLU A 1 117 ? -7.219 16.167 -11.851 1.00 72.02 117 A 1 ATOM 936 C CA . GLU A 1 117 ? -7.471 16.130 -10.410 1.00 72.66 117 A 1 ATOM 937 C C . GLU A 1 117 ? -6.194 15.794 -9.620 1.00 73.27 117 A 1 ATOM 938 O O . GLU A 1 117 ? -5.924 16.418 -8.590 1.00 72.23 117 A 1 ATOM 939 C CB . GLU A 1 117 ? -8.605 15.142 -10.120 1.00 72.19 117 A 1 ATOM 940 C CG . GLU A 1 117 ? -9.028 15.209 -8.650 1.00 66.70 117 A 1 ATOM 941 C CD . GLU A 1 117 ? -10.198 14.292 -8.301 1.00 66.67 117 A 1 ATOM 942 O OE1 . GLU A 1 117 ? -10.784 14.533 -7.220 1.00 61.94 117 A 1 ATOM 943 O OE2 . GLU A 1 117 ? -10.504 13.339 -9.047 1.00 67.21 117 A 1 ATOM 944 N N . ILE A 1 118 ? -5.372 14.867 -10.124 1.00 72.85 118 A 1 ATOM 945 C CA . ILE A 1 118 ? -4.046 14.572 -9.558 1.00 71.82 118 A 1 ATOM 946 C C . ILE A 1 118 ? -3.187 15.840 -9.546 1.00 70.93 118 A 1 ATOM 947 O O . ILE A 1 118 ? -2.570 16.149 -8.525 1.00 68.39 118 A 1 ATOM 948 C CB . ILE A 1 118 ? -3.347 13.427 -10.332 1.00 71.56 118 A 1 ATOM 949 C CG1 . ILE A 1 118 ? -4.096 12.093 -10.129 1.00 68.63 118 A 1 ATOM 950 C CG2 . ILE A 1 118 ? -1.871 13.281 -9.905 1.00 70.69 118 A 1 ATOM 951 C CD1 . ILE A 1 118 ? -3.659 10.967 -11.081 1.00 67.58 118 A 1 ATOM 952 N N . GLN A 1 119 ? -3.168 16.599 -10.643 1.00 64.63 119 A 1 ATOM 953 C CA . GLN A 1 119 ? -2.425 17.856 -10.730 1.00 63.76 119 A 1 ATOM 954 C C . GLN A 1 119 ? -2.893 18.861 -9.676 1.00 63.65 119 A 1 ATOM 955 O O . GLN A 1 119 ? -2.057 19.431 -8.982 1.00 61.75 119 A 1 ATOM 956 C CB . GLN A 1 119 ? -2.555 18.465 -12.128 1.00 61.76 119 A 1 ATOM 957 C CG . GLN A 1 119 ? -1.769 17.688 -13.188 1.00 57.01 119 A 1 ATOM 958 C CD . GLN A 1 119 ? -1.866 18.367 -14.550 1.00 54.41 119 A 1 ATOM 959 O OE1 . GLN A 1 119 ? -2.920 18.775 -15.010 1.00 52.25 119 A 1 ATOM 960 N NE2 . GLN A 1 119 ? -0.764 18.540 -15.241 1.00 50.11 119 A 1 ATOM 961 N N . VAL A 1 120 ? -4.209 19.030 -9.491 1.00 67.30 120 A 1 ATOM 962 C CA . VAL A 1 120 ? -4.758 19.939 -8.468 1.00 66.11 120 A 1 ATOM 963 C C . VAL A 1 120 ? -4.259 19.568 -7.068 1.00 65.91 120 A 1 ATOM 964 O O . VAL A 1 120 ? -3.842 20.447 -6.313 1.00 62.12 120 A 1 ATOM 965 C CB . VAL A 1 120 ? -6.298 19.961 -8.513 1.00 64.52 120 A 1 ATOM 966 C CG1 . VAL A 1 120 ? -6.916 20.731 -7.333 1.00 60.39 120 A 1 ATOM 967 C CG2 . VAL A 1 120 ? -6.796 20.646 -9.792 1.00 62.33 120 A 1 ATOM 968 N N . ASP A 1 121 ? -4.244 18.285 -6.731 1.00 59.89 121 A 1 ATOM 969 C CA . ASP A 1 121 ? -3.770 17.828 -5.424 1.00 59.57 121 A 1 ATOM 970 C C . ASP A 1 121 ? -2.237 17.950 -5.285 1.00 59.33 121 A 1 ATOM 971 O O . ASP A 1 121 ? -1.740 18.186 -4.182 1.00 56.57 121 A 1 ATOM 972 C CB . ASP A 1 121 ? -4.271 16.397 -5.170 1.00 57.03 121 A 1 ATOM 973 C CG . ASP A 1 121 ? -5.789 16.282 -4.894 1.00 54.05 121 A 1 ATOM 974 O OD1 . ASP A 1 121 ? -6.505 17.299 -4.680 1.00 51.42 121 A 1 ATOM 975 O OD2 . ASP A 1 121 ? -6.282 15.134 -4.814 1.00 49.87 121 A 1 ATOM 976 N N . CYS A 1 122 ? -1.482 17.867 -6.384 1.00 53.18 122 A 1 ATOM 977 C CA . CYS A 1 122 ? -0.047 18.161 -6.416 1.00 54.10 122 A 1 ATOM 978 C C . CYS A 1 122 ? 0.246 19.651 -6.181 1.00 54.22 122 A 1 ATOM 979 O O . CYS A 1 122 ? 1.144 19.965 -5.404 1.00 52.71 122 A 1 ATOM 980 C CB . CYS A 1 122 ? 0.554 17.683 -7.746 1.00 52.60 122 A 1 ATOM 981 S SG . CYS A 1 122 ? 0.676 15.868 -7.763 1.00 48.22 122 A 1 ATOM 982 N N . TYR A 1 123 ? -0.547 20.557 -6.779 1.00 42.27 123 A 1 ATOM 983 C CA . TYR A 1 123 ? -0.422 22.014 -6.575 1.00 42.54 123 A 1 ATOM 984 C C . TYR A 1 123 ? -0.732 22.458 -5.142 1.00 43.20 123 A 1 ATOM 985 O O . TYR A 1 123 ? -0.236 23.496 -4.697 1.00 41.43 123 A 1 ATOM 986 C CB . TYR A 1 123 ? -1.386 22.755 -7.513 1.00 39.78 123 A 1 ATOM 987 C CG . TYR A 1 123 ? -0.997 22.778 -8.975 1.00 37.46 123 A 1 ATOM 988 C CD1 . TYR A 1 123 ? 0.148 23.481 -9.374 1.00 33.84 123 A 1 ATOM 989 C CD2 . TYR A 1 123 ? -1.806 22.148 -9.937 1.00 33.92 123 A 1 ATOM 990 C CE1 . TYR A 1 123 ? 0.495 23.531 -10.735 1.00 31.04 123 A 1 ATOM 991 C CE2 . TYR A 1 123 ? -1.457 22.196 -11.301 1.00 31.60 123 A 1 ATOM 992 C CZ . TYR A 1 123 ? -0.305 22.883 -11.699 1.00 31.50 123 A 1 ATOM 993 O OH . TYR A 1 123 ? 0.040 22.923 -13.008 1.00 29.18 123 A 1 ATOM 994 N N . ALA A 1 124 ? -1.564 21.703 -4.426 1.00 36.07 124 A 1 ATOM 995 C CA . ALA A 1 124 ? -1.940 22.024 -3.052 1.00 35.85 124 A 1 ATOM 996 C C . ALA A 1 124 ? -0.849 21.682 -2.018 1.00 37.13 124 A 1 ATOM 997 O O . ALA A 1 124 ? -1.006 22.021 -0.841 1.00 35.52 124 A 1 ATOM 998 C CB . ALA A 1 124 ? -3.263 21.313 -2.749 1.00 32.56 124 A 1 ATOM 999 N N . LYS A 1 125 ? 0.230 21.004 -2.424 1.00 40.96 125 A 1 ATOM 1000 C CA . LYS A 1 125 ? 1.399 20.706 -1.588 1.00 41.57 125 A 1 ATOM 1001 C C . LYS A 1 125 ? 2.505 21.720 -1.878 1.00 42.16 125 A 1 ATOM 1002 O O . LYS A 1 125 ? 2.674 22.125 -3.021 1.00 41.67 125 A 1 ATOM 1003 C CB . LYS A 1 125 ? 1.863 19.262 -1.828 1.00 39.65 125 A 1 ATOM 1004 C CG . LYS A 1 125 ? 0.812 18.255 -1.353 1.00 36.86 125 A 1 ATOM 1005 C CD . LYS A 1 125 ? 1.312 16.825 -1.588 1.00 35.48 125 A 1 ATOM 1006 C CE . LYS A 1 125 ? 0.248 15.829 -1.137 1.00 34.13 125 A 1 ATOM 1007 N NZ . LYS A 1 125 ? 0.693 14.446 -1.405 1.00 31.35 125 A 1 ATOM 1008 N N . GLU A 1 126 ? 3.242 22.134 -0.842 1.00 39.58 126 A 1 ATOM 1009 C CA . GLU A 1 126 ? 4.407 23.014 -1.008 1.00 40.16 126 A 1 ATOM 1010 C C . GLU A 1 126 ? 5.396 22.406 -2.020 1.00 40.52 126 A 1 ATOM 1011 O O . GLU A 1 126 ? 5.577 21.190 -2.050 1.00 38.84 126 A 1 ATOM 1012 C CB . GLU A 1 126 ? 5.072 23.294 0.355 1.00 37.51 126 A 1 ATOM 1013 C CG . GLU A 1 126 ? 4.160 24.127 1.281 1.00 33.73 126 A 1 ATOM 1014 C CD . GLU A 1 126 ? 4.785 24.501 2.642 1.00 31.19 126 A 1 ATOM 1015 O OE1 . GLU A 1 126 ? 4.197 25.376 3.320 1.00 29.74 126 A 1 ATOM 1016 O OE2 . GLU A 1 126 ? 5.816 23.914 3.025 1.00 30.77 126 A 1 ATOM 1017 N N . GLU A 1 127 ? 6.002 23.254 -2.881 1.00 45.14 127 A 1 ATOM 1018 C CA . GLU A 1 127 ? 6.778 22.859 -4.078 1.00 45.59 127 A 1 ATOM 1019 C C . GLU A 1 127 ? 7.872 21.805 -3.802 1.00 46.12 127 A 1 ATOM 1020 O O . GLU A 1 127 ? 8.184 21.006 -4.681 1.00 44.49 127 A 1 ATOM 1021 C CB . GLU A 1 127 ? 7.402 24.121 -4.718 1.00 43.68 127 A 1 ATOM 1022 C CG . GLU A 1 127 ? 6.355 25.063 -5.353 1.00 40.15 127 A 1 ATOM 1023 C CD . GLU A 1 127 ? 6.956 26.326 -6.019 1.00 37.06 127 A 1 ATOM 1024 O OE1 . GLU A 1 127 ? 6.277 26.896 -6.907 1.00 35.79 127 A 1 ATOM 1025 O OE2 . GLU A 1 127 ? 8.069 26.742 -5.632 1.00 34.42 127 A 1 ATOM 1026 N N . ASP A 1 128 ? 8.388 21.729 -2.569 1.00 34.82 128 A 1 ATOM 1027 C CA . ASP A 1 128 ? 9.462 20.818 -2.148 1.00 35.20 128 A 1 ATOM 1028 C C . ASP A 1 128 ? 8.983 19.419 -1.687 1.00 36.39 128 A 1 ATOM 1029 O O . ASP A 1 128 ? 9.797 18.498 -1.583 1.00 34.97 128 A 1 ATOM 1030 C CB . ASP A 1 128 ? 10.287 21.518 -1.055 1.00 32.54 128 A 1 ATOM 1031 C CG . ASP A 1 128 ? 11.118 22.705 -1.562 1.00 30.35 128 A 1 ATOM 1032 O OD1 . ASP A 1 128 ? 11.595 22.642 -2.719 1.00 28.01 128 A 1 ATOM 1033 O OD2 . ASP A 1 128 ? 11.330 23.643 -0.764 1.00 28.44 128 A 1 ATOM 1034 N N . ASP A 1 129 ? 7.679 19.203 -1.445 1.00 37.30 129 A 1 ATOM 1035 C CA . ASP A 1 129 ? 7.128 17.953 -0.873 1.00 38.60 129 A 1 ATOM 1036 C C . ASP A 1 129 ? 6.432 17.039 -1.908 1.00 40.10 129 A 1 ATOM 1037 O O . ASP A 1 129 ? 5.680 16.114 -1.568 1.00 39.65 129 A 1 ATOM 1038 C CB . ASP A 1 129 ? 6.232 18.276 0.343 1.00 35.70 129 A 1 ATOM 1039 C CG . ASP A 1 129 ? 6.943 18.246 1.705 1.00 33.08 129 A 1 ATOM 1040 O OD1 . ASP A 1 129 ? 8.015 17.611 1.822 1.00 30.55 129 A 1 ATOM 1041 O OD2 . ASP A 1 129 ? 6.320 18.738 2.676 1.00 30.88 129 A 1 ATOM 1042 N N . CYS A 1 130 ? 6.663 17.254 -3.202 1.00 37.81 130 A 1 ATOM 1043 C CA . CYS A 1 130 ? 6.136 16.367 -4.237 1.00 38.61 130 A 1 ATOM 1044 C C . CYS A 1 130 ? 6.865 15.012 -4.208 1.00 39.18 130 A 1 ATOM 1045 O O . CYS A 1 130 ? 7.941 14.838 -4.769 1.00 39.20 130 A 1 ATOM 1046 C CB . CYS A 1 130 ? 6.175 17.048 -5.607 1.00 37.14 130 A 1 ATOM 1047 S SG . CYS A 1 130 ? 5.178 16.059 -6.756 1.00 34.39 130 A 1 ATOM 1048 N N . VAL A 1 131 ? 6.233 14.012 -3.598 1.00 44.49 131 A 1 ATOM 1049 C CA . VAL A 1 131 ? 6.715 12.615 -3.471 1.00 44.32 131 A 1 ATOM 1050 C C . VAL A 1 131 ? 6.976 11.939 -4.836 1.00 45.02 131 A 1 ATOM 1051 O O . VAL A 1 131 ? 7.539 10.850 -4.891 1.00 43.37 131 A 1 ATOM 1052 C CB . VAL A 1 131 ? 5.722 11.784 -2.621 1.00 41.04 131 A 1 ATOM 1053 C CG1 . VAL A 1 131 ? 6.321 10.464 -2.114 1.00 38.72 131 A 1 ATOM 1054 C CG2 . VAL A 1 131 ? 5.226 12.543 -1.375 1.00 38.17 131 A 1 ATOM 1055 N N . ALA A 1 132 ? 6.569 12.580 -5.947 1.00 47.82 132 A 1 ATOM 1056 C CA . ALA A 1 132 ? 6.655 12.065 -7.313 1.00 47.65 132 A 1 ATOM 1057 C C . ALA A 1 132 ? 7.912 12.497 -8.095 1.00 47.70 132 A 1 ATOM 1058 O O . ALA A 1 132 ? 7.977 12.224 -9.287 1.00 46.40 132 A 1 ATOM 1059 C CB . ALA A 1 132 ? 5.368 12.459 -8.035 1.00 45.52 132 A 1 ATOM 1060 N N . ASN A 1 133 ? 8.892 13.154 -7.463 1.00 43.47 133 A 1 ATOM 1061 C CA . ASN A 1 133 ? 10.031 13.747 -8.189 1.00 43.69 133 A 1 ATOM 1062 C C . ASN A 1 133 ? 9.614 14.678 -9.351 1.00 43.86 133 A 1 ATOM 1063 O O . ASN A 1 133 ? 10.320 14.775 -10.354 1.00 42.13 133 A 1 ATOM 1064 C CB . ASN A 1 133 ? 11.036 12.664 -8.636 1.00 41.05 133 A 1 ATOM 1065 C CG . ASN A 1 133 ? 11.883 12.078 -7.529 1.00 38.32 133 A 1 ATOM 1066 O OD1 . ASN A 1 133 ? 12.151 12.672 -6.503 1.00 35.61 133 A 1 ATOM 1067 N ND2 . ASN A 1 133 ? 12.398 10.887 -7.729 1.00 34.93 133 A 1 ATOM 1068 N N . CYS A 1 134 ? 8.480 15.379 -9.237 1.00 38.53 134 A 1 ATOM 1069 C CA . CYS A 1 134 ? 8.148 16.443 -10.184 1.00 39.54 134 A 1 ATOM 1070 C C . CYS A 1 134 ? 9.134 17.601 -9.968 1.00 39.84 134 A 1 ATOM 1071 O O . CYS A 1 134 ? 9.005 18.374 -9.024 1.00 38.89 134 A 1 ATOM 1072 C CB . CYS A 1 134 ? 6.688 16.879 -10.019 1.00 37.83 134 A 1 ATOM 1073 S SG . CYS A 1 134 ? 5.570 15.573 -10.600 1.00 35.24 134 A 1 ATOM 1074 N N . THR A 1 135 ? 10.139 17.715 -10.842 1.00 41.63 135 A 1 ATOM 1075 C CA . THR A 1 135 ? 11.204 18.736 -10.761 1.00 42.18 135 A 1 ATOM 1076 C C . THR A 1 135 ? 10.836 20.065 -11.425 1.00 42.14 135 A 1 ATOM 1077 O O . THR A 1 135 ? 11.701 20.911 -11.642 1.00 40.47 135 A 1 ATOM 1078 C CB . THR A 1 135 ? 12.521 18.200 -11.343 1.00 39.75 135 A 1 ATOM 1079 O OG1 . THR A 1 135 ? 12.301 17.642 -12.613 1.00 37.20 135 A 1 ATOM 1080 C CG2 . THR A 1 135 ? 13.145 17.117 -10.465 1.00 36.53 135 A 1 ATOM 1081 N N . VAL A 1 136 ? 9.564 20.248 -11.801 1.00 41.81 136 A 1 ATOM 1082 C CA . VAL A 1 136 ? 9.085 21.438 -12.511 1.00 42.81 136 A 1 ATOM 1083 C C . VAL A 1 136 ? 8.085 22.181 -11.629 1.00 43.34 136 A 1 ATOM 1084 O O . VAL A 1 136 ? 7.061 21.615 -11.252 1.00 41.94 136 A 1 ATOM 1085 C CB . VAL A 1 136 ? 8.480 21.086 -13.882 1.00 40.82 136 A 1 ATOM 1086 C CG1 . VAL A 1 136 ? 8.231 22.354 -14.709 1.00 37.90 136 A 1 ATOM 1087 C CG2 . VAL A 1 136 ? 9.410 20.179 -14.708 1.00 37.17 136 A 1 ATOM 1088 N N . ALA A 1 137 ? 8.370 23.446 -11.327 1.00 41.83 137 A 1 ATOM 1089 C CA . ALA A 1 137 ? 7.403 24.363 -10.736 1.00 42.80 137 A 1 ATOM 1090 C C . ALA A 1 137 ? 6.222 24.507 -11.703 1.00 42.89 137 A 1 ATOM 1091 O O . ALA A 1 137 ? 6.352 25.041 -12.808 1.00 41.97 137 A 1 ATOM 1092 C CB . ALA A 1 137 ? 8.084 25.706 -10.440 1.00 41.25 137 A 1 ATOM 1093 N N . LEU A 1 138 ? 5.067 23.970 -11.321 1.00 43.07 138 A 1 ATOM 1094 C CA . LEU A 1 138 ? 3.842 24.068 -12.095 1.00 44.44 138 A 1 ATOM 1095 C C . LEU A 1 138 ? 3.221 25.440 -11.794 1.00 44.87 138 A 1 ATOM 1096 O O . LEU A 1 138 ? 2.537 25.621 -10.789 1.00 43.79 138 A 1 ATOM 1097 C CB . LEU A 1 138 ? 2.940 22.870 -11.758 1.00 42.33 138 A 1 ATOM 1098 C CG . LEU A 1 138 ? 3.446 21.485 -12.219 1.00 39.91 138 A 1 ATOM 1099 C CD1 . LEU A 1 138 ? 2.545 20.377 -11.648 1.00 36.68 138 A 1 ATOM 1100 C CD2 . LEU A 1 138 ? 3.457 21.341 -13.745 1.00 36.87 138 A 1 ATOM 1101 N N . GLU A 1 139 ? 3.481 26.440 -12.659 1.00 41.86 139 A 1 ATOM 1102 C CA . GLU A 1 139 ? 2.806 27.735 -12.551 1.00 43.71 139 A 1 ATOM 1103 C C . GLU A 1 139 ? 1.327 27.606 -12.960 1.00 43.21 139 A 1 ATOM 1104 O O . GLU A 1 139 ? 1.016 26.907 -13.933 1.00 41.99 139 A 1 ATOM 1105 C CB . GLU A 1 139 ? 3.500 28.813 -13.397 1.00 42.33 139 A 1 ATOM 1106 C CG . GLU A 1 139 ? 4.887 29.213 -12.859 1.00 38.94 139 A 1 ATOM 1107 C CD . GLU A 1 139 ? 5.507 30.407 -13.618 1.00 36.20 139 A 1 ATOM 1108 O OE1 . GLU A 1 139 ? 6.508 30.960 -13.112 1.00 34.71 139 A 1 ATOM 1109 O OE2 . GLU A 1 139 ? 5.000 30.772 -14.714 1.00 33.33 139 A 1 ATOM 1110 N N . PRO A 1 140 ? 0.394 28.280 -12.269 1.00 39.70 140 A 1 ATOM 1111 C CA . PRO A 1 140 ? -1.004 28.296 -12.673 1.00 40.78 140 A 1 ATOM 1112 C C . PRO A 1 140 ? -1.124 28.852 -14.098 1.00 40.78 140 A 1 ATOM 1113 O O . PRO A 1 140 ? -0.588 29.912 -14.425 1.00 40.77 140 A 1 ATOM 1114 C CB . PRO A 1 140 ? -1.743 29.141 -11.627 1.00 40.21 140 A 1 ATOM 1115 C CG . PRO A 1 140 ? -0.648 30.014 -11.022 1.00 39.46 140 A 1 ATOM 1116 C CD . PRO A 1 140 ? 0.606 29.150 -11.120 1.00 40.55 140 A 1 ATOM 1117 N N . VAL A 1 141 ? -1.836 28.118 -14.961 1.00 44.96 141 A 1 ATOM 1118 C CA . VAL A 1 141 ? -2.079 28.523 -16.349 1.00 46.31 141 A 1 ATOM 1119 C C . VAL A 1 141 ? -2.875 29.825 -16.342 1.00 47.64 141 A 1 ATOM 1120 O O . VAL A 1 141 ? -4.000 29.866 -15.844 1.00 45.93 141 A 1 ATOM 1121 C CB . VAL A 1 141 ? -2.810 27.417 -17.139 1.00 42.95 141 A 1 ATOM 1122 C CG1 . VAL A 1 141 ? -3.049 27.825 -18.601 1.00 38.77 141 A 1 ATOM 1123 C CG2 . VAL A 1 141 ? -2.004 26.109 -17.150 1.00 37.57 141 A 1 ATOM 1124 N N . ASN A 1 142 ? -2.292 30.887 -16.911 1.00 43.62 142 A 1 ATOM 1125 C CA . ASN A 1 142 ? -3.021 32.125 -17.154 1.00 47.80 142 A 1 ATOM 1126 C C . ASN A 1 142 ? -4.060 31.874 -18.266 1.00 48.80 142 A 1 ATOM 1127 O O . ASN A 1 142 ? -3.659 31.528 -19.379 1.00 48.09 142 A 1 ATOM 1128 C CB . ASN A 1 142 ? -2.019 33.240 -17.509 1.00 46.26 142 A 1 ATOM 1129 C CG . ASN A 1 142 ? -2.681 34.595 -17.714 1.00 41.40 142 A 1 ATOM 1130 O OD1 . ASN A 1 142 ? -3.887 34.759 -17.622 1.00 38.05 142 A 1 ATOM 1131 N ND2 . ASN A 1 142 ? -1.909 35.613 -17.985 1.00 37.85 142 A 1 ATOM 1132 N N . PRO A 1 143 ? -5.379 32.042 -18.007 1.00 47.84 143 A 1 ATOM 1133 C CA . PRO A 1 143 ? -6.426 31.804 -19.003 1.00 50.14 143 A 1 ATOM 1134 C C . PRO A 1 143 ? -6.270 32.633 -20.287 1.00 51.37 143 A 1 ATOM 1135 O O . PRO A 1 143 ? -6.797 32.248 -21.328 1.00 50.40 143 A 1 ATOM 1136 C CB . PRO A 1 143 ? -7.747 32.156 -18.304 1.00 49.16 143 A 1 ATOM 1137 C CG . PRO A 1 143 ? -7.433 32.020 -16.819 1.00 48.22 143 A 1 ATOM 1138 C CD . PRO A 1 143 ? -5.969 32.432 -16.733 1.00 51.18 143 A 1 ATOM 1139 N N . ASP A 1 144 ? -5.540 33.737 -20.228 1.00 51.80 144 A 1 ATOM 1140 C CA . ASP A 1 144 ? -5.341 34.669 -21.342 1.00 55.13 144 A 1 ATOM 1141 C C . ASP A 1 144 ? -4.130 34.313 -22.235 1.00 55.10 144 A 1 ATOM 1142 O O . ASP A 1 144 ? -3.891 34.982 -23.243 1.00 53.49 144 A 1 ATOM 1143 C CB . ASP A 1 144 ? -5.255 36.099 -20.781 1.00 54.46 144 A 1 ATOM 1144 C CG . ASP A 1 144 ? -6.529 36.551 -20.046 1.00 50.12 144 A 1 ATOM 1145 O OD1 . ASP A 1 144 ? -7.640 36.227 -20.531 1.00 47.39 144 A 1 ATOM 1146 O OD2 . ASP A 1 144 ? -6.395 37.254 -19.020 1.00 47.90 144 A 1 ATOM 1147 N N . GLU A 1 145 ? -3.373 33.235 -21.934 1.00 44.35 145 A 1 ATOM 1148 C CA . GLU A 1 145 ? -2.209 32.784 -22.718 1.00 47.02 145 A 1 ATOM 1149 C C . GLU A 1 145 ? -2.393 31.352 -23.269 1.00 46.32 145 A 1 ATOM 1150 O O . GLU A 1 145 ? -1.788 30.386 -22.778 1.00 45.67 145 A 1 ATOM 1151 C CB . GLU A 1 145 ? -0.912 32.923 -21.907 1.00 46.85 145 A 1 ATOM 1152 C CG . GLU A 1 145 ? -0.490 34.388 -21.697 1.00 42.04 145 A 1 ATOM 1153 C CD . GLU A 1 145 ? 0.896 34.528 -21.030 1.00 39.33 145 A 1 ATOM 1154 O OE1 . GLU A 1 145 ? 1.379 35.677 -20.932 1.00 38.89 145 A 1 ATOM 1155 O OE2 . GLU A 1 145 ? 1.482 33.504 -20.599 1.00 38.44 145 A 1 ATOM 1156 N N . PRO A 1 146 ? -3.175 31.162 -24.360 1.00 44.50 146 A 1 ATOM 1157 C CA . PRO A 1 146 ? -3.483 29.837 -24.913 1.00 46.18 146 A 1 ATOM 1158 C C . PRO A 1 146 ? -2.262 29.084 -25.474 1.00 47.22 146 A 1 ATOM 1159 O O . PRO A 1 146 ? -2.311 27.866 -25.621 1.00 46.50 146 A 1 ATOM 1160 C CB . PRO A 1 146 ? -4.554 30.089 -25.987 1.00 44.63 146 A 1 ATOM 1161 C CG . PRO A 1 146 ? -4.346 31.547 -26.387 1.00 43.07 146 A 1 ATOM 1162 C CD . PRO A 1 146 ? -3.874 32.202 -25.093 1.00 46.19 146 A 1 ATOM 1163 N N . GLU A 1 147 ? -1.149 29.760 -25.770 1.00 43.29 147 A 1 ATOM 1164 C CA . GLU A 1 147 ? 0.077 29.123 -26.277 1.00 44.56 147 A 1 ATOM 1165 C C . GLU A 1 147 ? 0.846 28.317 -25.212 1.00 44.33 147 A 1 ATOM 1166 O O . GLU A 1 147 ? 1.612 27.415 -25.566 1.00 43.19 147 A 1 ATOM 1167 C CB . GLU A 1 147 ? 0.999 30.174 -26.914 1.00 43.65 147 A 1 ATOM 1168 C CG . GLU A 1 147 ? 0.432 30.736 -28.231 1.00 39.15 147 A 1 ATOM 1169 C CD . GLU A 1 147 ? 1.443 31.605 -29.002 1.00 35.85 147 A 1 ATOM 1170 O OE1 . GLU A 1 147 ? 1.171 31.866 -30.195 1.00 34.60 147 A 1 ATOM 1171 O OE2 . GLU A 1 147 ? 2.487 31.979 -28.420 1.00 34.33 147 A 1 ATOM 1172 N N . ARG A 1 148 ? 0.620 28.557 -23.913 1.00 36.65 148 A 1 ATOM 1173 C CA . ARG A 1 148 ? 1.247 27.772 -22.830 1.00 37.76 148 A 1 ATOM 1174 C C . ARG A 1 148 ? 0.623 26.386 -22.638 1.00 37.83 148 A 1 ATOM 1175 O O . ARG A 1 148 ? 1.267 25.511 -22.076 1.00 36.59 148 A 1 ATOM 1176 C CB . ARG A 1 148 ? 1.246 28.569 -21.516 1.00 36.15 148 A 1 ATOM 1177 C CG . ARG A 1 148 ? 2.441 29.531 -21.439 1.00 32.92 148 A 1 ATOM 1178 C CD . ARG A 1 148 ? 2.465 30.240 -20.081 1.00 31.58 148 A 1 ATOM 1179 N NE . ARG A 1 148 ? 3.747 30.934 -19.837 1.00 29.72 148 A 1 ATOM 1180 C CZ . ARG A 1 148 ? 4.052 31.632 -18.753 1.00 27.90 148 A 1 ATOM 1181 N NH1 . ARG A 1 148 ? 3.189 31.856 -17.804 1.00 27.28 148 A 1 ATOM 1182 N NH2 . ARG A 1 148 ? 5.249 32.112 -18.597 1.00 26.66 148 A 1 ATOM 1183 N N . VAL A 1 149 ? -0.588 26.172 -23.156 1.00 37.11 149 A 1 ATOM 1184 C CA . VAL A 1 149 ? -1.337 24.907 -23.013 1.00 37.65 149 A 1 ATOM 1185 C C . VAL A 1 149 ? -0.832 23.813 -23.974 1.00 37.71 149 A 1 ATOM 1186 O O . VAL A 1 149 ? -1.109 22.636 -23.763 1.00 36.58 149 A 1 ATOM 1187 C CB . VAL A 1 149 ? -2.854 25.169 -23.151 1.00 35.62 149 A 1 ATOM 1188 C CG1 . VAL A 1 149 ? -3.711 23.930 -22.875 1.00 32.60 149 A 1 ATOM 1189 C CG2 . VAL A 1 149 ? -3.322 26.261 -22.174 1.00 32.59 149 A 1 ATOM 1190 N N . GLN A 1 150 ? -0.073 24.152 -25.034 1.00 33.51 150 A 1 ATOM 1191 C CA . GLN A 1 150 ? 0.262 23.223 -26.131 1.00 33.72 150 A 1 ATOM 1192 C C . GLN A 1 150 ? 1.739 22.829 -26.262 1.00 34.56 150 A 1 ATOM 1193 O O . GLN A 1 150 ? 2.077 22.063 -27.166 1.00 33.45 150 A 1 ATOM 1194 C CB . GLN A 1 150 ? -0.297 23.755 -27.452 1.00 31.74 150 A 1 ATOM 1195 C CG . GLN A 1 150 ? -1.820 23.613 -27.510 1.00 28.75 150 A 1 ATOM 1196 C CD . GLN A 1 150 ? -2.396 23.943 -28.884 1.00 26.56 150 A 1 ATOM 1197 O OE1 . GLN A 1 150 ? -1.715 24.305 -29.828 1.00 25.82 150 A 1 ATOM 1198 N NE2 . GLN A 1 150 ? -3.692 23.822 -29.052 1.00 24.88 150 A 1 ATOM 1199 N N . ARG A 1 151 ? 2.631 23.261 -25.392 1.00 36.40 151 A 1 ATOM 1200 C CA . ARG A 1 151 ? 4.017 22.776 -25.406 1.00 37.70 151 A 1 ATOM 1201 C C . ARG A 1 151 ? 4.257 21.833 -24.230 1.00 37.98 151 A 1 ATOM 1202 O O . ARG A 1 151 ? 4.664 22.262 -23.160 1.00 36.66 151 A 1 ATOM 1203 C CB . ARG A 1 151 ? 5.011 23.940 -25.498 1.00 35.63 151 A 1 ATOM 1204 C CG . ARG A 1 151 ? 5.011 24.520 -26.919 1.00 32.39 151 A 1 ATOM 1205 C CD . ARG A 1 151 ? 6.079 25.604 -27.068 1.00 30.53 151 A 1 ATOM 1206 N NE . ARG A 1 151 ? 6.099 26.153 -28.435 1.00 29.19 151 A 1 ATOM 1207 C CZ . ARG A 1 151 ? 6.824 27.173 -28.857 1.00 26.77 151 A 1 ATOM 1208 N NH1 . ARG A 1 151 ? 7.647 27.805 -28.064 1.00 26.48 151 A 1 ATOM 1209 N NH2 . ARG A 1 151 ? 6.728 27.584 -30.089 1.00 25.49 151 A 1 ATOM 1210 N N . ALA A 1 152 ? 4.059 20.529 -24.488 1.00 40.49 152 A 1 ATOM 1211 C CA . ALA A 1 152 ? 4.915 19.539 -23.854 1.00 40.95 152 A 1 ATOM 1212 C C . ALA A 1 152 ? 6.356 19.994 -24.123 1.00 41.21 152 A 1 ATOM 1213 O O . ALA A 1 152 ? 6.821 19.959 -25.262 1.00 39.72 152 A 1 ATOM 1214 C CB . ALA A 1 152 ? 4.606 18.154 -24.446 1.00 38.48 152 A 1 ATOM 1215 N N . ILE A 1 153 ? 7.015 20.553 -23.115 1.00 39.25 153 A 1 ATOM 1216 C CA . ILE A 1 153 ? 8.431 20.895 -23.222 1.00 39.99 153 A 1 ATOM 1217 C C . ILE A 1 153 ? 9.131 19.544 -23.361 1.00 39.47 153 A 1 ATOM 1218 O O . ILE A 1 153 ? 8.982 18.722 -22.458 1.00 38.28 153 A 1 ATOM 1219 C CB . ILE A 1 153 ? 8.913 21.710 -21.999 1.00 38.83 153 A 1 ATOM 1220 C CG1 . ILE A 1 153 ? 8.084 23.011 -21.841 1.00 36.81 153 A 1 ATOM 1221 C CG2 . ILE A 1 153 ? 10.409 22.037 -22.141 1.00 36.37 153 A 1 ATOM 1222 C CD1 . ILE A 1 153 ? 8.417 23.832 -20.586 1.00 35.13 153 A 1 ATOM 1223 N N . PRO A 1 154 ? 9.795 19.229 -24.491 1.00 37.08 154 A 1 ATOM 1224 C CA . PRO A 1 154 ? 10.520 17.974 -24.605 1.00 37.79 154 A 1 ATOM 1225 C C . PRO A 1 154 ? 11.549 17.907 -23.476 1.00 38.36 154 A 1 ATOM 1226 O O . PRO A 1 154 ? 12.108 18.945 -23.112 1.00 37.65 154 A 1 ATOM 1227 C CB . PRO A 1 154 ? 11.153 17.981 -26.001 1.00 35.99 154 A 1 ATOM 1228 C CG . PRO A 1 154 ? 11.222 19.463 -26.366 1.00 35.63 154 A 1 ATOM 1229 C CD . PRO A 1 154 ? 10.038 20.083 -25.635 1.00 36.94 154 A 1 ATOM 1230 N N . ASP A 1 155 ? 11.766 16.697 -22.939 1.00 40.78 155 A 1 ATOM 1231 C CA . ASP A 1 155 ? 12.806 16.416 -21.941 1.00 42.24 155 A 1 ATOM 1232 C C . ASP A 1 155 ? 14.061 17.229 -22.272 1.00 42.84 155 A 1 ATOM 1233 O O . ASP A 1 155 ? 14.699 17.035 -23.312 1.00 41.23 155 A 1 ATOM 1234 C CB . ASP A 1 155 ? 13.157 14.911 -21.938 1.00 40.24 155 A 1 ATOM 1235 C CG . ASP A 1 155 ? 12.390 14.071 -20.907 1.00 37.68 155 A 1 ATOM 1236 O OD1 . ASP A 1 155 ? 12.044 14.627 -19.842 1.00 34.49 155 A 1 ATOM 1237 O OD2 . ASP A 1 155 ? 12.207 12.862 -21.176 1.00 34.30 155 A 1 ATOM 1238 N N . SER A 1 156 ? 14.378 18.201 -21.418 1.00 37.11 156 A 1 ATOM 1239 C CA . SER A 1 156 ? 15.641 18.909 -21.566 1.00 38.43 156 A 1 ATOM 1240 C C . SER A 1 156 ? 16.775 17.917 -21.313 1.00 39.42 156 A 1 ATOM 1241 O O . SER A 1 156 ? 16.626 17.008 -20.496 1.00 37.46 156 A 1 ATOM 1242 C CB . SER A 1 156 ? 15.709 20.130 -20.640 1.00 35.65 156 A 1 ATOM 1243 O OG . SER A 1 156 ? 15.612 19.768 -19.275 1.00 32.28 156 A 1 ATOM 1244 N N . GLU A 1 157 ? 17.917 18.095 -21.974 1.00 37.02 157 A 1 ATOM 1245 C CA . GLU A 1 157 ? 19.132 17.278 -21.783 1.00 37.93 157 A 1 ATOM 1246 C C . GLU A 1 157 ? 19.608 17.218 -20.310 1.00 39.20 157 A 1 ATOM 1247 O O . GLU A 1 157 ? 20.492 16.440 -19.963 1.00 37.28 157 A 1 ATOM 1248 C CB . GLU A 1 157 ? 20.248 17.830 -22.690 1.00 35.46 157 A 1 ATOM 1249 C CG . GLU A 1 157 ? 19.946 17.695 -24.198 1.00 31.40 157 A 1 ATOM 1250 C CD . GLU A 1 157 ? 21.098 18.184 -25.104 1.00 28.55 157 A 1 ATOM 1251 O OE1 . GLU A 1 157 ? 21.162 17.715 -26.264 1.00 25.92 157 A 1 ATOM 1252 O OE2 . GLU A 1 157 ? 21.898 19.039 -24.657 1.00 27.68 157 A 1 ATOM 1253 N N . GLU A 1 158 ? 18.981 17.981 -19.419 1.00 38.60 158 A 1 ATOM 1254 C CA . GLU A 1 158 ? 19.221 18.043 -17.969 1.00 38.77 158 A 1 ATOM 1255 C C . GLU A 1 158 ? 18.318 17.103 -17.137 1.00 39.85 158 A 1 ATOM 1256 O O . GLU A 1 158 ? 18.336 17.176 -15.909 1.00 38.46 158 A 1 ATOM 1257 C CB . GLU A 1 158 ? 19.087 19.500 -17.493 1.00 36.69 158 A 1 ATOM 1258 C CG . GLU A 1 158 ? 20.098 20.462 -18.136 1.00 32.87 158 A 1 ATOM 1259 C CD . GLU A 1 158 ? 19.979 21.902 -17.598 1.00 29.89 158 A 1 ATOM 1260 O OE1 . GLU A 1 158 ? 20.911 22.694 -17.856 1.00 27.80 158 A 1 ATOM 1261 O OE2 . GLU A 1 158 ? 18.954 22.231 -16.933 1.00 27.95 158 A 1 ATOM 1262 N N . GLY A 1 159 ? 17.530 16.224 -17.758 1.00 35.72 159 A 1 ATOM 1263 C CA . GLY A 1 159 ? 16.729 15.214 -17.041 1.00 35.92 159 A 1 ATOM 1264 C C . GLY A 1 159 ? 15.505 15.770 -16.299 1.00 37.53 159 A 1 ATOM 1265 O O . GLY A 1 159 ? 15.078 15.192 -15.300 1.00 36.26 159 A 1 ATOM 1266 N N . ARG A 1 160 ? 14.930 16.890 -16.754 1.00 37.45 160 A 1 ATOM 1267 C CA . ARG A 1 160 ? 13.679 17.434 -16.202 1.00 38.71 160 A 1 ATOM 1268 C C . ARG A 1 160 ? 12.490 16.690 -16.799 1.00 40.19 160 A 1 ATOM 1269 O O . ARG A 1 160 ? 12.229 16.803 -17.994 1.00 39.37 160 A 1 ATOM 1270 C CB . ARG A 1 160 ? 13.566 18.944 -16.443 1.00 36.85 160 A 1 ATOM 1271 C CG . ARG A 1 160 ? 14.713 19.730 -15.797 1.00 33.58 160 A 1 ATOM 1272 C CD . ARG A 1 160 ? 14.500 21.235 -15.981 1.00 31.22 160 A 1 ATOM 1273 N NE . ARG A 1 160 ? 15.745 21.982 -15.742 1.00 29.91 160 A 1 ATOM 1274 C CZ . ARG A 1 160 ? 15.881 23.291 -15.642 1.00 27.61 160 A 1 ATOM 1275 N NH1 . ARG A 1 160 ? 14.854 24.097 -15.671 1.00 27.67 160 A 1 ATOM 1276 N NH2 . ARG A 1 160 ? 17.073 23.808 -15.528 1.00 27.09 160 A 1 ATOM 1277 N N . CYS A 1 161 ? 11.776 15.950 -15.965 1.00 41.19 161 A 1 ATOM 1278 C CA . CYS A 1 161 ? 10.559 15.248 -16.353 1.00 43.40 161 A 1 ATOM 1279 C C . CYS A 1 161 ? 9.403 16.254 -16.470 1.00 46.25 161 A 1 ATOM 1280 O O . CYS A 1 161 ? 9.103 16.974 -15.515 1.00 44.90 161 A 1 ATOM 1281 C CB . CYS A 1 161 ? 10.301 14.145 -15.323 1.00 40.49 161 A 1 ATOM 1282 S SG . CYS A 1 161 ? 9.035 12.986 -15.902 1.00 36.35 161 A 1 ATOM 1283 N N . VAL A 1 162 ? 8.757 16.323 -17.635 1.00 46.42 162 A 1 ATOM 1284 C CA . VAL A 1 162 ? 7.543 17.129 -17.830 1.00 48.45 162 A 1 ATOM 1285 C C . VAL A 1 162 ? 6.402 16.472 -17.061 1.00 49.97 162 A 1 ATOM 1286 O O . VAL A 1 162 ? 6.236 15.261 -17.149 1.00 49.16 162 A 1 ATOM 1287 C CB . VAL A 1 162 ? 7.191 17.259 -19.324 1.00 46.92 162 A 1 ATOM 1288 C CG1 . VAL A 1 162 ? 5.947 18.132 -19.548 1.00 42.90 162 A 1 ATOM 1289 C CG2 . VAL A 1 162 ? 8.354 17.891 -20.095 1.00 41.60 162 A 1 ATOM 1290 N N . CYS A 1 163 ? 5.593 17.232 -16.320 1.00 51.64 163 A 1 ATOM 1291 C CA . CYS A 1 163 ? 4.402 16.690 -15.671 1.00 53.90 163 A 1 ATOM 1292 C C . CYS A 1 163 ? 3.360 16.318 -16.743 1.00 55.62 163 A 1 ATOM 1293 O O . CYS A 1 163 ? 2.596 17.167 -17.199 1.00 54.43 163 A 1 ATOM 1294 C CB . CYS A 1 163 ? 3.888 17.700 -14.642 1.00 52.66 163 A 1 ATOM 1295 S SG . CYS A 1 163 ? 2.549 16.955 -13.673 1.00 47.80 163 A 1 ATOM 1296 N N . ALA A 1 164 ? 3.361 15.063 -17.172 1.00 53.73 164 A 1 ATOM 1297 C CA . ALA A 1 164 ? 2.489 14.508 -18.200 1.00 54.69 164 A 1 ATOM 1298 C C . ALA A 1 164 ? 1.843 13.209 -17.705 1.00 55.83 164 A 1 ATOM 1299 O O . ALA A 1 164 ? 2.370 12.530 -16.824 1.00 54.15 164 A 1 ATOM 1300 C CB . ALA A 1 164 ? 3.301 14.307 -19.484 1.00 51.88 164 A 1 ATOM 1301 N N . GLN A 1 165 ? 0.685 12.862 -18.268 1.00 59.56 165 A 1 ATOM 1302 C CA . GLN A 1 165 ? -0.041 11.662 -17.864 1.00 59.88 165 A 1 ATOM 1303 C C . GLN A 1 165 ? 0.774 10.385 -18.123 1.00 61.34 165 A 1 ATOM 1304 O O . GLN A 1 165 ? 0.702 9.436 -17.347 1.00 59.43 165 A 1 ATOM 1305 C CB . GLN A 1 165 ? -1.389 11.649 -18.593 1.00 57.87 165 A 1 ATOM 1306 C CG . GLN A 1 165 ? -2.264 10.464 -18.169 1.00 52.42 165 A 1 ATOM 1307 C CD . GLN A 1 165 ? -3.673 10.510 -18.753 1.00 49.84 165 A 1 ATOM 1308 O OE1 . GLN A 1 165 ? -4.136 11.479 -19.328 1.00 48.98 165 A 1 ATOM 1309 N NE2 . GLN A 1 165 ? -4.434 9.449 -18.608 1.00 46.47 165 A 1 ATOM 1310 N N . GLU A 1 166 ? 1.577 10.377 -19.194 1.00 52.86 166 A 1 ATOM 1311 C CA . GLU A 1 166 ? 2.358 9.226 -19.657 1.00 52.63 166 A 1 ATOM 1312 C C . GLU A 1 166 ? 3.517 8.856 -18.721 1.00 53.28 166 A 1 ATOM 1313 O O . GLU A 1 166 ? 3.946 7.707 -18.719 1.00 51.01 166 A 1 ATOM 1314 C CB . GLU A 1 166 ? 2.931 9.512 -21.058 1.00 50.83 166 A 1 ATOM 1315 C CG . GLU A 1 166 ? 1.894 9.817 -22.151 1.00 45.47 166 A 1 ATOM 1316 C CD . GLU A 1 166 ? 1.330 11.256 -22.145 1.00 41.01 166 A 1 ATOM 1317 O OE1 . GLU A 1 166 ? 0.395 11.504 -22.936 1.00 39.22 166 A 1 ATOM 1318 O OE2 . GLU A 1 166 ? 1.804 12.091 -21.342 1.00 38.12 166 A 1 ATOM 1319 N N . ASN A 1 167 ? 4.018 9.813 -17.944 1.00 47.68 167 A 1 ATOM 1320 C CA . ASN A 1 167 ? 5.118 9.624 -17.000 1.00 48.79 167 A 1 ATOM 1321 C C . ASN A 1 167 ? 4.706 9.873 -15.539 1.00 50.68 167 A 1 ATOM 1322 O O . ASN A 1 167 ? 5.549 9.868 -14.644 1.00 48.91 167 A 1 ATOM 1323 C CB . ASN A 1 167 ? 6.331 10.457 -17.460 1.00 45.21 167 A 1 ATOM 1324 C CG . ASN A 1 167 ? 6.071 11.955 -17.500 1.00 41.70 167 A 1 ATOM 1325 O OD1 . ASN A 1 167 ? 5.101 12.470 -16.988 1.00 38.32 167 A 1 ATOM 1326 N ND2 . ASN A 1 167 ? 6.942 12.703 -18.135 1.00 38.33 167 A 1 ATOM 1327 N N . CYS A 1 168 ? 3.407 10.061 -15.280 1.00 53.48 168 A 1 ATOM 1328 C CA . CYS A 1 168 ? 2.876 10.221 -13.939 1.00 56.68 168 A 1 ATOM 1329 C C . CYS A 1 168 ? 2.975 8.906 -13.154 1.00 58.46 168 A 1 ATOM 1330 O O . CYS A 1 168 ? 2.490 7.867 -13.587 1.00 57.96 168 A 1 ATOM 1331 C CB . CYS A 1 168 ? 1.435 10.728 -14.021 1.00 55.41 168 A 1 ATOM 1332 S SG . CYS A 1 168 ? 0.878 11.215 -12.363 1.00 50.29 168 A 1 ATOM 1333 N N . VAL A 1 169 ? 3.561 8.966 -11.964 1.00 56.04 169 A 1 ATOM 1334 C CA . VAL A 1 169 ? 3.652 7.810 -11.051 1.00 57.36 169 A 1 ATOM 1335 C C . VAL A 1 169 ? 2.352 7.548 -10.287 1.00 59.43 169 A 1 ATOM 1336 O O . VAL A 1 169 ? 2.211 6.508 -9.648 1.00 58.07 169 A 1 ATOM 1337 C CB . VAL A 1 169 ? 4.826 7.962 -10.069 1.00 54.67 169 A 1 ATOM 1338 C CG1 . VAL A 1 169 ? 6.165 8.112 -10.809 1.00 50.04 169 A 1 ATOM 1339 C CG2 . VAL A 1 169 ? 4.644 9.149 -9.124 1.00 49.48 169 A 1 ATOM 1340 N N . PHE A 1 170 ? 1.405 8.487 -10.312 1.00 63.75 170 A 1 ATOM 1341 C CA . PHE A 1 170 ? 0.115 8.345 -9.652 1.00 65.20 170 A 1 ATOM 1342 C C . PHE A 1 170 ? -0.903 7.674 -10.569 1.00 66.90 170 A 1 ATOM 1343 O O . PHE A 1 170 ? -1.066 8.036 -11.732 1.00 65.51 170 A 1 ATOM 1344 C CB . PHE A 1 170 ? -0.387 9.703 -9.157 1.00 62.91 170 A 1 ATOM 1345 C CG . PHE A 1 170 ? 0.497 10.359 -8.117 1.00 61.96 170 A 1 ATOM 1346 C CD1 . PHE A 1 170 ? 0.671 9.761 -6.856 1.00 59.92 170 A 1 ATOM 1347 C CD2 . PHE A 1 170 ? 1.134 11.583 -8.401 1.00 58.10 170 A 1 ATOM 1348 C CE1 . PHE A 1 170 ? 1.470 10.386 -5.879 1.00 55.02 170 A 1 ATOM 1349 C CE2 . PHE A 1 170 ? 1.928 12.208 -7.424 1.00 56.43 170 A 1 ATOM 1350 C CZ . PHE A 1 170 ? 2.095 11.611 -6.160 1.00 56.74 170 A 1 ATOM 1351 N N . GLU A 1 171 ? -1.630 6.705 -10.005 1.00 67.51 171 A 1 ATOM 1352 C CA . GLU A 1 171 ? -2.702 5.997 -10.699 1.00 69.62 171 A 1 ATOM 1353 C C . GLU A 1 171 ? -3.991 6.831 -10.699 1.00 72.18 171 A 1 ATOM 1354 O O . GLU A 1 171 ? -4.325 7.505 -9.721 1.00 70.80 171 A 1 ATOM 1355 C CB . GLU A 1 171 ? -2.919 4.611 -10.055 1.00 66.47 171 A 1 ATOM 1356 C CG . GLU A 1 171 ? -1.716 3.653 -10.216 1.00 60.54 171 A 1 ATOM 1357 C CD . GLU A 1 171 ? -1.872 2.313 -9.451 1.00 57.43 171 A 1 ATOM 1358 O OE1 . GLU A 1 171 ? -0.936 1.487 -9.444 1.00 53.65 171 A 1 ATOM 1359 O OE2 . GLU A 1 171 ? -2.897 2.064 -8.772 1.00 51.37 171 A 1 ATOM 1360 N N . VAL A 1 172 ? -4.751 6.739 -11.793 1.00 71.49 172 A 1 ATOM 1361 C CA . VAL A 1 172 ? -6.135 7.223 -11.855 1.00 74.08 172 A 1 ATOM 1362 C C . VAL A 1 172 ? -7.054 6.144 -11.284 1.00 77.32 172 A 1 ATOM 1363 O O . VAL A 1 172 ? -6.923 4.964 -11.611 1.00 74.18 172 A 1 ATOM 1364 C CB . VAL A 1 172 ? -6.516 7.617 -13.294 1.00 69.92 172 A 1 ATOM 1365 C CG1 . VAL A 1 172 ? -7.993 7.997 -13.416 1.00 63.06 172 A 1 ATOM 1366 C CG2 . VAL A 1 172 ? -5.682 8.816 -13.766 1.00 65.91 172 A 1 ATOM 1367 N N . GLY A 1 173 ? -7.992 6.537 -10.421 1.00 81.15 173 A 1 ATOM 1368 C CA . GLY A 1 173 ? -8.892 5.639 -9.714 1.00 81.63 173 A 1 ATOM 1369 C C . GLY A 1 173 ? -10.366 5.984 -9.892 1.00 83.88 173 A 1 ATOM 1370 O O . GLY A 1 173 ? -10.804 6.482 -10.925 1.00 80.70 173 A 1 ATOM 1371 N N . ARG A 1 174 ? -11.161 5.660 -8.867 1.00 80.32 174 A 1 ATOM 1372 C CA . ARG A 1 174 ? -12.630 5.739 -8.913 1.00 80.77 174 A 1 ATOM 1373 C C . ARG A 1 174 ? -13.206 7.014 -8.288 1.00 82.83 174 A 1 ATOM 1374 O O . ARG A 1 174 ? -14.429 7.179 -8.325 1.00 77.76 174 A 1 ATOM 1375 C CB . ARG A 1 174 ? -13.232 4.475 -8.271 1.00 78.28 174 A 1 ATOM 1376 C CG . ARG A 1 174 ? -12.897 3.200 -9.059 1.00 76.69 174 A 1 ATOM 1377 C CD . ARG A 1 174 ? -13.360 1.922 -8.346 1.00 75.03 174 A 1 ATOM 1378 N NE . ARG A 1 174 ? -14.829 1.812 -8.215 1.00 71.23 174 A 1 ATOM 1379 C CZ . ARG A 1 174 ? -15.474 0.742 -7.750 1.00 66.62 174 A 1 ATOM 1380 N NH1 . ARG A 1 174 ? -14.850 -0.317 -7.335 1.00 65.66 174 A 1 ATOM 1381 N NH2 . ARG A 1 174 ? -16.770 0.695 -7.688 1.00 60.40 174 A 1 ATOM 1382 N N . GLY A 1 175 ? -12.383 7.871 -7.699 1.00 84.14 175 A 1 ATOM 1383 C CA . GLY A 1 175 ? -12.827 9.063 -6.976 1.00 84.89 175 A 1 ATOM 1384 C C . GLY A 1 175 ? -13.713 8.733 -5.772 1.00 88.09 175 A 1 ATOM 1385 O O . GLY A 1 175 ? -13.409 7.832 -4.984 1.00 85.75 175 A 1 ATOM 1386 N N . GLU A 1 176 ? -14.836 9.438 -5.632 1.00 84.97 176 A 1 ATOM 1387 C CA . GLU A 1 176 ? -15.834 9.151 -4.599 1.00 86.51 176 A 1 ATOM 1388 C C . GLU A 1 176 ? -16.764 8.005 -5.022 1.00 87.33 176 A 1 ATOM 1389 O O . GLU A 1 176 ? -17.366 8.025 -6.097 1.00 83.47 176 A 1 ATOM 1390 C CB . GLU A 1 176 ? -16.665 10.386 -4.236 1.00 84.60 176 A 1 ATOM 1391 C CG . GLU A 1 176 ? -15.823 11.596 -3.813 1.00 81.25 176 A 1 ATOM 1392 C CD . GLU A 1 176 ? -16.632 12.605 -2.993 1.00 82.83 176 A 1 ATOM 1393 O OE1 . GLU A 1 176 ? -16.055 13.159 -2.025 1.00 73.66 176 A 1 ATOM 1394 O OE2 . GLU A 1 176 ? -17.848 12.762 -3.248 1.00 75.51 176 A 1 ATOM 1395 N N . TRP A 1 177 ? -16.915 6.995 -4.166 1.00 92.04 177 A 1 ATOM 1396 C CA . TRP A 1 177 ? -17.754 5.837 -4.478 1.00 92.67 177 A 1 ATOM 1397 C C . TRP A 1 177 ? -18.157 5.025 -3.240 1.00 93.93 177 A 1 ATOM 1398 O O . TRP A 1 177 ? -17.695 5.258 -2.126 1.00 92.99 177 A 1 ATOM 1399 C CB . TRP A 1 177 ? -17.041 4.956 -5.512 1.00 90.51 177 A 1 ATOM 1400 C CG . TRP A 1 177 ? -15.738 4.355 -5.093 1.00 89.63 177 A 1 ATOM 1401 C CD1 . TRP A 1 177 ? -14.556 5.005 -4.990 1.00 87.49 177 A 1 ATOM 1402 C CD2 . TRP A 1 177 ? -15.451 2.964 -4.776 1.00 89.75 177 A 1 ATOM 1403 N NE1 . TRP A 1 177 ? -13.559 4.114 -4.644 1.00 83.04 177 A 1 ATOM 1404 C CE2 . TRP A 1 177 ? -14.051 2.839 -4.520 1.00 86.74 177 A 1 ATOM 1405 C CE3 . TRP A 1 177 ? -16.232 1.792 -4.716 1.00 83.87 177 A 1 ATOM 1406 C CZ2 . TRP A 1 177 ? -13.451 1.602 -4.235 1.00 83.97 177 A 1 ATOM 1407 C CZ3 . TRP A 1 177 ? -15.643 0.552 -4.425 1.00 85.04 177 A 1 ATOM 1408 C CH2 . TRP A 1 177 ? -14.256 0.454 -4.194 1.00 84.04 177 A 1 ATOM 1409 N N . VAL A 1 178 ? -19.061 4.057 -3.444 1.00 93.20 178 A 1 ATOM 1410 C CA . VAL A 1 178 ? -19.551 3.150 -2.396 1.00 94.20 178 A 1 ATOM 1411 C C . VAL A 1 178 ? -19.292 1.703 -2.815 1.00 94.46 178 A 1 ATOM 1412 O O . VAL A 1 178 ? -19.668 1.302 -3.919 1.00 93.34 178 A 1 ATOM 1413 C CB . VAL A 1 178 ? -21.048 3.374 -2.106 1.00 93.81 178 A 1 ATOM 1414 C CG1 . VAL A 1 178 ? -21.532 2.500 -0.937 1.00 89.37 178 A 1 ATOM 1415 C CG2 . VAL A 1 178 ? -21.353 4.836 -1.757 1.00 89.21 178 A 1 ATOM 1416 N N . ALA A 1 179 ? -18.702 0.909 -1.923 1.00 95.27 179 A 1 ATOM 1417 C CA . ALA A 1 179 ? -18.482 -0.515 -2.140 1.00 95.60 179 A 1 ATOM 1418 C C . ALA A 1 179 ? -19.823 -1.268 -2.190 1.00 96.37 179 A 1 ATOM 1419 O O . ALA A 1 179 ? -20.562 -1.316 -1.204 1.00 96.36 179 A 1 ATOM 1420 C CB . ALA A 1 179 ? -17.565 -1.053 -1.036 1.00 95.31 179 A 1 ATOM 1421 N N . LYS A 1 180 ? -20.127 -1.872 -3.346 1.00 96.81 180 A 1 ATOM 1422 C CA . LYS A 1 180 ? -21.357 -2.660 -3.563 1.00 97.05 180 A 1 ATOM 1423 C C . LYS A 1 180 ? -21.128 -4.165 -3.417 1.00 97.69 180 A 1 ATOM 1424 O O . LYS A 1 180 ? -22.075 -4.914 -3.197 1.00 96.97 180 A 1 ATOM 1425 C CB . LYS A 1 180 ? -21.933 -2.341 -4.948 1.00 96.71 180 A 1 ATOM 1426 C CG . LYS A 1 180 ? -22.345 -0.868 -5.077 1.00 94.16 180 A 1 ATOM 1427 C CD . LYS A 1 180 ? -22.876 -0.584 -6.483 1.00 87.61 180 A 1 ATOM 1428 C CE . LYS A 1 180 ? -23.208 0.906 -6.606 1.00 82.55 180 A 1 ATOM 1429 N NZ . LYS A 1 180 ? -23.617 1.260 -7.989 1.00 70.92 180 A 1 ATOM 1430 N N . THR A 1 181 ? -19.878 -4.600 -3.524 1.00 97.11 181 A 1 ATOM 1431 C CA . THR A 1 181 ? -19.449 -6.000 -3.455 1.00 96.99 181 A 1 ATOM 1432 C C . THR A 1 181 ? -18.258 -6.153 -2.503 1.00 97.15 181 A 1 ATOM 1433 O O . THR A 1 181 ? -17.672 -5.163 -2.050 1.00 96.82 181 A 1 ATOM 1434 C CB . THR A 1 181 ? -19.089 -6.530 -4.855 1.00 96.89 181 A 1 ATOM 1435 O OG1 . THR A 1 181 ? -17.943 -5.876 -5.331 1.00 96.09 181 A 1 ATOM 1436 C CG2 . THR A 1 181 ? -20.205 -6.347 -5.885 1.00 95.11 181 A 1 ATOM 1437 N N . LEU A 1 182 ? -17.895 -7.397 -2.175 1.00 98.11 182 A 1 ATOM 1438 C CA . LEU A 1 182 ? -16.661 -7.661 -1.425 1.00 98.00 182 A 1 ATOM 1439 C C . LEU A 1 182 ? -15.401 -7.385 -2.263 1.00 98.00 182 A 1 ATOM 1440 O O . LEU A 1 182 ? -14.382 -7.027 -1.686 1.00 97.52 182 A 1 ATOM 1441 C CB . LEU A 1 182 ? -16.657 -9.102 -0.887 1.00 97.67 182 A 1 ATOM 1442 C CG . LEU A 1 182 ? -17.638 -9.351 0.277 1.00 96.12 182 A 1 ATOM 1443 C CD1 . LEU A 1 182 ? -17.601 -10.832 0.657 1.00 94.05 182 A 1 ATOM 1444 C CD2 . LEU A 1 182 ? -17.294 -8.534 1.529 1.00 94.39 182 A 1 ATOM 1445 N N . ASP A 1 183 ? -15.486 -7.489 -3.592 1.00 97.52 183 A 1 ATOM 1446 C CA . ASP A 1 183 ? -14.381 -7.107 -4.479 1.00 97.13 183 A 1 ATOM 1447 C C . ASP A 1 183 ? -14.159 -5.587 -4.467 1.00 96.95 183 A 1 ATOM 1448 O O . ASP A 1 183 ? -13.024 -5.126 -4.374 1.00 96.29 183 A 1 ATOM 1449 C CB . ASP A 1 183 ? -14.651 -7.607 -5.906 1.00 96.80 183 A 1 ATOM 1450 C CG . ASP A 1 183 ? -14.737 -9.133 -5.992 1.00 93.76 183 A 1 ATOM 1451 O OD1 . ASP A 1 183 ? -14.030 -9.812 -5.211 1.00 88.02 183 A 1 ATOM 1452 O OD2 . ASP A 1 183 ? -15.567 -9.609 -6.795 1.00 88.20 183 A 1 ATOM 1453 N N . ASP A 1 184 ? -15.240 -4.806 -4.431 1.00 96.21 184 A 1 ATOM 1454 C CA . ASP A 1 184 ? -15.161 -3.362 -4.192 1.00 95.60 184 A 1 ATOM 1455 C C . ASP A 1 184 ? -14.479 -3.057 -2.844 1.00 96.10 184 A 1 ATOM 1456 O O . ASP A 1 184 ? -13.580 -2.223 -2.758 1.00 95.74 184 A 1 ATOM 1457 C CB . ASP A 1 184 ? -16.572 -2.760 -4.171 1.00 94.67 184 A 1 ATOM 1458 C CG . ASP A 1 184 ? -17.256 -2.562 -5.524 1.00 93.32 184 A 1 ATOM 1459 O OD1 . ASP A 1 184 ? -16.584 -2.172 -6.502 1.00 90.47 184 A 1 ATOM 1460 O OD2 . ASP A 1 184 ? -18.507 -2.655 -5.542 1.00 89.86 184 A 1 ATOM 1461 N N . ALA A 1 185 ? -14.868 -3.766 -1.780 1.00 96.47 185 A 1 ATOM 1462 C CA . ALA A 1 185 ? -14.255 -3.603 -0.465 1.00 96.50 185 A 1 ATOM 1463 C C . ALA A 1 185 ? -12.770 -4.012 -0.455 1.00 96.46 185 A 1 ATOM 1464 O O . ALA A 1 185 ? -11.965 -3.387 0.240 1.00 96.40 185 A 1 ATOM 1465 C CB . ALA A 1 185 ? -15.074 -4.415 0.546 1.00 96.82 185 A 1 ATOM 1466 N N . LYS A 1 186 ? -12.400 -5.041 -1.241 1.00 96.95 186 A 1 ATOM 1467 C CA . LYS A 1 186 ? -10.999 -5.419 -1.458 1.00 97.00 186 A 1 ATOM 1468 C C . LYS A 1 186 ? -10.227 -4.285 -2.124 1.00 96.60 186 A 1 ATOM 1469 O O . LYS A 1 186 ? -9.153 -3.950 -1.639 1.00 96.09 186 A 1 ATOM 1470 C CB . LYS A 1 186 ? -10.914 -6.726 -2.262 1.00 97.13 186 A 1 ATOM 1471 C CG . LYS A 1 186 ? -9.457 -7.199 -2.387 1.00 97.04 186 A 1 ATOM 1472 C CD . LYS A 1 186 ? -9.325 -8.562 -3.082 1.00 96.03 186 A 1 ATOM 1473 C CE . LYS A 1 186 ? -7.833 -8.902 -3.151 1.00 93.78 186 A 1 ATOM 1474 N NZ . LYS A 1 186 ? -7.561 -10.302 -3.534 1.00 90.33 186 A 1 ATOM 1475 N N . GLN A 1 187 ? -10.786 -3.669 -3.169 1.00 95.87 187 A 1 ATOM 1476 C CA . GLN A 1 187 ? -10.140 -2.539 -3.847 1.00 94.99 187 A 1 ATOM 1477 C C . GLN A 1 187 ? -9.887 -1.373 -2.884 1.00 95.08 187 A 1 ATOM 1478 O O . GLN A 1 187 ? -8.765 -0.888 -2.808 1.00 94.55 187 A 1 ATOM 1479 C CB . GLN A 1 187 ? -10.974 -2.104 -5.063 1.00 93.83 187 A 1 ATOM 1480 C CG . GLN A 1 187 ? -10.228 -1.067 -5.924 1.00 90.41 187 A 1 ATOM 1481 C CD . GLN A 1 187 ? -8.915 -1.617 -6.473 1.00 88.83 187 A 1 ATOM 1482 O OE1 . GLN A 1 187 ? -8.881 -2.691 -7.053 1.00 82.31 187 A 1 ATOM 1483 N NE2 . GLN A 1 187 ? -7.801 -0.950 -6.283 1.00 80.01 187 A 1 ATOM 1484 N N . MET A 1 188 ? -10.868 -0.994 -2.048 1.00 95.43 188 A 1 ATOM 1485 C CA . MET A 1 188 ? -10.653 0.029 -1.010 1.00 95.35 188 A 1 ATOM 1486 C C . MET A 1 188 ? -9.515 -0.342 -0.048 1.00 95.41 188 A 1 ATOM 1487 O O . MET A 1 188 ? -8.745 0.521 0.373 1.00 95.17 188 A 1 ATOM 1488 C CB . MET A 1 188 ? -11.931 0.242 -0.190 1.00 95.45 188 A 1 ATOM 1489 C CG . MET A 1 188 ? -13.034 0.970 -0.956 1.00 94.38 188 A 1 ATOM 1490 S SD . MET A 1 188 ? -14.533 1.203 0.041 1.00 93.66 188 A 1 ATOM 1491 C CE . MET A 1 188 ? -15.443 2.323 -1.053 1.00 89.45 188 A 1 ATOM 1492 N N . ALA A 1 189 ? -9.393 -1.619 0.323 1.00 96.00 189 A 1 ATOM 1493 C CA . ALA A 1 189 ? -8.311 -2.083 1.188 1.00 95.95 189 A 1 ATOM 1494 C C . ALA A 1 189 ? -6.937 -2.012 0.501 1.00 95.36 189 A 1 ATOM 1495 O O . ALA A 1 189 ? -5.952 -1.692 1.168 1.00 95.04 189 A 1 ATOM 1496 C CB . ALA A 1 189 ? -8.632 -3.505 1.668 1.00 96.58 189 A 1 ATOM 1497 N N . VAL A 1 190 ? -6.881 -2.299 -0.805 1.00 95.83 190 A 1 ATOM 1498 C CA . VAL A 1 190 ? -5.677 -2.144 -1.638 1.00 94.95 190 A 1 ATOM 1499 C C . VAL A 1 190 ? -5.262 -0.676 -1.698 1.00 94.23 190 A 1 ATOM 1500 O O . VAL A 1 190 ? -4.125 -0.356 -1.351 1.00 93.30 190 A 1 ATOM 1501 C CB . VAL A 1 190 ? -5.912 -2.718 -3.053 1.00 94.47 190 A 1 ATOM 1502 C CG1 . VAL A 1 190 ? -4.816 -2.324 -4.049 1.00 93.38 190 A 1 ATOM 1503 C CG2 . VAL A 1 190 ? -5.981 -4.251 -3.020 1.00 92.99 190 A 1 ATOM 1504 N N . ASP A 1 191 ? -6.187 0.214 -2.054 1.00 94.06 191 A 1 ATOM 1505 C CA . ASP A 1 191 ? -5.925 1.650 -2.190 1.00 92.76 191 A 1 ATOM 1506 C C . ASP A 1 191 ? -5.465 2.250 -0.850 1.00 92.55 191 A 1 ATOM 1507 O O . ASP A 1 191 ? -4.470 2.975 -0.781 1.00 91.38 191 A 1 ATOM 1508 C CB . ASP A 1 191 ? -7.189 2.361 -2.711 1.00 92.01 191 A 1 ATOM 1509 C CG . ASP A 1 191 ? -7.687 1.858 -4.073 1.00 91.08 191 A 1 ATOM 1510 O OD1 . ASP A 1 191 ? -6.890 1.270 -4.836 1.00 88.21 191 A 1 ATOM 1511 O OD2 . ASP A 1 191 ? -8.909 1.984 -4.322 1.00 87.75 191 A 1 ATOM 1512 N N . PHE A 1 192 ? -6.109 1.849 0.251 1.00 93.08 192 A 1 ATOM 1513 C CA . PHE A 1 192 ? -5.680 2.228 1.597 1.00 92.68 192 A 1 ATOM 1514 C C . PHE A 1 192 ? -4.262 1.743 1.904 1.00 92.04 192 A 1 ATOM 1515 O O . PHE A 1 192 ? -3.440 2.520 2.388 1.00 91.19 192 A 1 ATOM 1516 C CB . PHE A 1 192 ? -6.667 1.673 2.631 1.00 93.07 192 A 1 ATOM 1517 C CG . PHE A 1 192 ? -6.312 2.041 4.059 1.00 93.45 192 A 1 ATOM 1518 C CD1 . PHE A 1 192 ? -5.494 1.200 4.834 1.00 91.96 192 A 1 ATOM 1519 C CD2 . PHE A 1 192 ? -6.775 3.253 4.602 1.00 92.44 192 A 1 ATOM 1520 C CE1 . PHE A 1 192 ? -5.138 1.570 6.145 1.00 92.09 192 A 1 ATOM 1521 C CE2 . PHE A 1 192 ? -6.422 3.621 5.912 1.00 91.84 192 A 1 ATOM 1522 C CZ . PHE A 1 192 ? -5.601 2.782 6.683 1.00 92.61 192 A 1 ATOM 1523 N N . ALA A 1 193 ? -3.962 0.470 1.642 1.00 94.13 193 A 1 ATOM 1524 C CA . ALA A 1 193 ? -2.648 -0.099 1.932 1.00 93.50 193 A 1 ATOM 1525 C C . ALA A 1 193 ? -1.534 0.577 1.123 1.00 91.99 193 A 1 ATOM 1526 O O . ALA A 1 193 ? -0.477 0.851 1.690 1.00 90.55 193 A 1 ATOM 1527 C CB . ALA A 1 193 ? -2.694 -1.610 1.690 1.00 94.08 193 A 1 ATOM 1528 N N . LYS A 1 194 ? -1.782 0.897 -0.155 1.00 92.46 194 A 1 ATOM 1529 C CA . LYS A 1 194 ? -0.870 1.678 -1.007 1.00 90.21 194 A 1 ATOM 1530 C C . LYS A 1 194 ? -0.628 3.075 -0.429 1.00 89.01 194 A 1 ATOM 1531 O O . LYS A 1 194 ? 0.516 3.478 -0.276 1.00 86.47 194 A 1 ATOM 1532 C CB . LYS A 1 194 ? -1.427 1.783 -2.443 1.00 88.97 194 A 1 ATOM 1533 C CG . LYS A 1 194 ? -1.332 0.494 -3.286 1.00 87.30 194 A 1 ATOM 1534 C CD . LYS A 1 194 ? -1.856 0.766 -4.715 1.00 84.66 194 A 1 ATOM 1535 C CE . LYS A 1 194 ? -1.662 -0.384 -5.709 1.00 81.38 194 A 1 ATOM 1536 N NZ . LYS A 1 194 ? -2.005 0.025 -7.105 1.00 75.94 194 A 1 ATOM 1537 N N . SER A 1 195 ? -1.679 3.782 -0.031 1.00 89.01 195 A 1 ATOM 1538 C CA . SER A 1 195 ? -1.585 5.155 0.494 1.00 87.01 195 A 1 ATOM 1539 C C . SER A 1 195 ? -0.839 5.261 1.829 1.00 86.27 195 A 1 ATOM 1540 O O . SER A 1 195 ? -0.144 6.246 2.087 1.00 83.57 195 A 1 ATOM 1541 C CB . SER A 1 195 ? -2.997 5.711 0.647 1.00 85.18 195 A 1 ATOM 1542 O OG . SER A 1 195 ? -2.968 7.010 1.197 1.00 75.03 195 A 1 ATOM 1543 N N . VAL A 1 196 ? -0.965 4.261 2.709 1.00 88.63 196 A 1 ATOM 1544 C CA . VAL A 1 196 ? -0.321 4.288 4.036 1.00 87.20 196 A 1 ATOM 1545 C C . VAL A 1 196 ? 1.037 3.579 4.085 1.00 85.40 196 A 1 ATOM 1546 O O . VAL A 1 196 ? 1.640 3.548 5.161 1.00 81.91 196 A 1 ATOM 1547 C CB . VAL A 1 196 ? -1.262 3.797 5.158 1.00 87.46 196 A 1 ATOM 1548 C CG1 . VAL A 1 196 ? -2.559 4.614 5.209 1.00 84.37 196 A 1 ATOM 1549 C CG2 . VAL A 1 196 ? -1.588 2.306 5.069 1.00 84.34 196 A 1 ATOM 1550 N N . ALA A 1 197 ? 1.496 3.004 2.950 1.00 88.80 197 A 1 ATOM 1551 C CA . ALA A 1 197 ? 2.743 2.244 2.861 1.00 85.99 197 A 1 ATOM 1552 C C . ALA A 1 197 ? 3.989 3.056 3.260 1.00 81.04 197 A 1 ATOM 1553 O O . ALA A 1 197 ? 4.058 4.275 2.971 1.00 74.47 197 A 1 ATOM 1554 C CB . ALA A 1 197 ? 2.854 1.594 1.478 1.00 81.92 197 A 1 ATOM 1555 O OXT . ALA A 1 197 ? 4.875 2.425 3.848 1.00 72.76 197 A 1 #