# 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_acriiib1 # _entry.id acriiib1 # 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 GLU 2 1 n VAL 3 1 n LYS 4 1 n GLN 5 1 n ILE 6 1 n LYS 7 1 n LYS 8 1 n LEU 9 1 n ASN 10 1 n ASN 11 1 n LEU 12 1 n PRO 13 1 n TRP 14 1 n VAL 15 1 n PHE 16 1 n LEU 17 1 n ASP 18 1 n THR 19 1 n TYR 20 1 n LEU 21 1 n ASN 22 1 n LYS 23 1 n PHE 24 1 n ALA 25 1 n LEU 26 1 n ASP 27 1 n LYS 28 1 n ASN 29 1 n PHE 30 1 n VAL 31 1 n ASN 32 1 n CYS 33 1 n ALA 34 1 n TYR 35 1 n TYR 36 1 n SER 37 1 n SER 38 1 n ARG 39 1 n SER 40 1 n GLY 41 1 n MET 42 1 n THR 43 1 n GLN 44 1 n GLU 45 1 n GLY 46 1 n CYS 47 1 n VAL 48 1 n GLN 49 1 n VAL 50 1 n MET 51 1 n GLN 52 1 n VAL 53 1 n GLY 54 1 n ASP 55 1 n ASN 56 1 n PHE 57 1 n LYS 58 1 n VAL 59 1 n ASP 60 1 n THR 61 1 n MET 62 1 n ARG 63 1 n GLU 64 1 n VAL 65 1 n HIS 66 1 n GLY 67 1 n ILE 68 1 n TYR 69 1 n PHE 70 1 n THR 71 1 n PRO 72 1 n HIS 73 1 n ALA 74 1 n SER 75 1 n ILE 76 1 n ILE 77 1 n SER 78 1 n LEU 79 1 n ILE 80 1 n TYR 81 1 n ARG 82 1 n GLN 83 1 n LYS 84 1 n GLY 85 1 n ILE 86 1 n ARG 87 1 n SER 88 1 n ILE 89 1 n ASP 90 1 n ASP 91 1 n LEU 92 1 n LYS 93 1 n GLU 94 1 n ILE 95 1 n LEU 96 1 n GLY 97 1 n SER 98 1 n LEU 99 1 n ASN 100 1 n LEU 101 1 n SER 102 1 n LYS 103 1 n VAL 104 1 n SER 105 1 n PRO 106 1 n LYS 107 1 n HIS 108 1 n TYR 109 1 n GLN 110 1 n LEU 111 1 n LEU 112 1 n VAL 113 1 n LYS 114 1 n TYR 115 1 n SER 116 1 n ASN 117 1 n TYR 118 1 n THR 119 1 n ILE 120 1 n GLU 121 1 n ILE 122 1 n TYR 123 1 n ASP 124 1 n ILE 125 1 n TYR 126 1 n PHE 127 1 n LYS 128 1 n GLY 129 1 n HIS 130 1 n ILE 131 1 n TYR 132 1 n GLU 133 1 n PHE 134 1 n PRO 135 1 n LEU 136 1 n VAL 137 1 n SER 138 1 n GLN 139 1 n GLN 140 1 n GLY 141 1 n HIS 142 1 n LEU 143 1 n ASN 144 1 n VAL 145 1 n TYR 146 1 n ASN 147 1 n VAL 148 1 n PRO 149 1 n GLU 150 1 n PRO 151 1 n ARG 152 1 n ASN 153 1 n VAL 154 1 n TYR 155 1 n LEU 156 1 n ILE 157 1 n TYR 158 1 n TYR 159 1 n GLU 160 1 n ASN 161 1 n ASN 162 1 n GLU 163 1 n GLU 164 1 n LYS 165 1 n LYS 166 1 n GLU 167 1 n LEU 168 1 n ASN 169 1 n LYS 170 1 n ASP 171 1 n LEU 172 1 n PHE 173 1 n ASN 174 1 n GLU 175 1 n VAL 176 1 n SER 177 1 n GLU 178 1 n PHE 179 1 n MET 180 1 n ILE 181 1 n TYR 182 1 n ASN 183 1 n HIS 184 1 n ARG 185 1 n VAL 186 1 n THR 187 1 n PHE 188 1 n GLU 189 1 n LYS 190 1 n PRO 191 1 n VAL 192 1 n LEU 193 1 n GLU 194 1 n PHE 195 1 n LYS 196 1 n ASN 197 1 n LEU 198 1 n GLN 199 1 n ILE 200 1 n THR 201 1 n PRO 202 1 n GLY 203 1 n GLY 204 1 n GLY 205 1 n ALA 206 1 n LEU 207 1 n VAL 208 1 n TYR 209 1 n VAL 210 1 n PRO 211 1 n GLU 212 1 n SER 213 1 n MET 214 1 n TYR 215 1 n VAL 216 1 n LYS 217 1 n LEU 218 1 n GLU 219 1 n SER 220 1 n SER 221 1 n ASP 222 1 n HIS 223 1 n GLN 224 1 n SER 225 1 n VAL 226 1 n GLU 227 1 n PHE 228 1 n ARG 229 1 n PRO 230 1 n SER 231 1 n ARG 232 1 n ASP 233 1 n ASP 234 1 n TRP 235 1 n LEU 236 1 n LEU 237 1 n PHE 238 1 n SER 239 1 n HIS 240 1 n PRO 241 1 n ARG 242 1 n PRO 243 1 n ARG 244 1 n ARG 245 1 n SER 246 1 n GLY 247 1 n ASN 248 1 n ASP 249 # _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 01:39:22)" _ma_model_list.model_id 1 _ma_model_list.model_name "Top ranked model" _ma_model_list.model_type "Ab initio model" _ma_model_list.ordinal_id 1 # loop_ _ma_protocol_step.method_type _ma_protocol_step.ordinal_id _ma_protocol_step.protocol_id _ma_protocol_step.step_id "coevolution MSA" 1 1 1 "template search" 2 1 2 modeling 3 1 3 # loop_ _ma_qa_metric.id _ma_qa_metric.mode _ma_qa_metric.name _ma_qa_metric.software_group_id _ma_qa_metric.type 1 global pLDDT 1 pLDDT 2 local pLDDT 1 pLDDT # _ma_qa_metric_global.metric_id 1 _ma_qa_metric_global.metric_value 90.88 _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 74.62 1 1 A GLU 2 2 67.25 1 2 A VAL 3 2 76.56 1 3 A LYS 4 2 71.58 1 4 A GLN 5 2 73.59 1 5 A ILE 6 2 76.06 1 6 A LYS 7 2 74.08 1 7 A LYS 8 2 73.42 1 8 A LEU 9 2 82.99 1 9 A ASN 10 2 83.54 1 10 A ASN 11 2 88.14 1 11 A LEU 12 2 94.13 1 12 A PRO 13 2 95.06 1 13 A TRP 14 2 92.59 1 14 A VAL 15 2 97.47 1 15 A PHE 16 2 97.91 1 16 A LEU 17 2 96.50 1 17 A ASP 18 2 96.37 1 18 A THR 19 2 93.08 1 19 A TYR 20 2 88.38 1 20 A LEU 21 2 93.88 1 21 A ASN 22 2 94.98 1 22 A LYS 23 2 95.68 1 23 A PHE 24 2 98.32 1 24 A ALA 25 2 98.23 1 25 A LEU 26 2 94.82 1 26 A ASP 27 2 90.34 1 27 A LYS 28 2 86.12 1 28 A ASN 29 2 92.44 1 29 A PHE 30 2 97.32 1 30 A VAL 31 2 97.43 1 31 A ASN 32 2 96.33 1 32 A CYS 33 2 96.15 1 33 A ALA 34 2 93.69 1 34 A TYR 35 2 86.93 1 35 A TYR 36 2 89.33 1 36 A SER 37 2 91.20 1 37 A SER 38 2 92.08 1 38 A ARG 39 2 78.69 1 39 A SER 40 2 89.32 1 40 A GLY 41 2 87.64 1 41 A MET 42 2 83.17 1 42 A THR 43 2 91.64 1 43 A GLN 44 2 84.84 1 44 A GLU 45 2 88.32 1 45 A GLY 46 2 97.81 1 46 A CYS 47 2 98.25 1 47 A VAL 48 2 97.99 1 48 A GLN 49 2 93.09 1 49 A VAL 50 2 95.37 1 50 A MET 51 2 87.77 1 51 A GLN 52 2 84.12 1 52 A VAL 53 2 85.52 1 53 A GLY 54 2 88.23 1 54 A ASP 55 2 87.09 1 55 A ASN 56 2 86.81 1 56 A PHE 57 2 92.14 1 57 A LYS 58 2 88.22 1 58 A VAL 59 2 94.38 1 59 A ASP 60 2 91.61 1 60 A THR 61 2 95.73 1 61 A MET 62 2 92.72 1 62 A ARG 63 2 79.57 1 63 A GLU 64 2 89.22 1 64 A VAL 65 2 97.21 1 65 A HIS 66 2 89.50 1 66 A GLY 67 2 96.77 1 67 A ILE 68 2 97.78 1 68 A TYR 69 2 98.26 1 69 A PHE 70 2 97.06 1 70 A THR 71 2 96.58 1 71 A PRO 72 2 94.49 1 72 A HIS 73 2 87.29 1 73 A ALA 74 2 94.38 1 74 A SER 75 2 94.87 1 75 A ILE 76 2 91.03 1 76 A ILE 77 2 94.11 1 77 A SER 78 2 93.61 1 78 A LEU 79 2 95.83 1 79 A ILE 80 2 95.51 1 80 A TYR 81 2 95.50 1 81 A ARG 82 2 87.21 1 82 A GLN 83 2 87.78 1 83 A LYS 84 2 91.14 1 84 A GLY 85 2 94.76 1 85 A ILE 86 2 95.25 1 86 A ARG 87 2 86.49 1 87 A SER 88 2 93.94 1 88 A ILE 89 2 91.38 1 89 A ASP 90 2 93.28 1 90 A ASP 91 2 95.22 1 91 A LEU 92 2 97.04 1 92 A LYS 93 2 93.65 1 93 A GLU 94 2 88.90 1 94 A ILE 95 2 97.12 1 95 A LEU 96 2 96.19 1 96 A GLY 97 2 95.99 1 97 A SER 98 2 94.36 1 98 A LEU 99 2 92.03 1 99 A ASN 100 2 87.55 1 100 A LEU 101 2 88.30 1 101 A SER 102 2 85.47 1 102 A LYS 103 2 79.36 1 103 A VAL 104 2 81.19 1 104 A SER 105 2 68.30 1 105 A PRO 106 2 56.82 1 106 A LYS 107 2 55.13 1 107 A HIS 108 2 66.75 1 108 A TYR 109 2 70.13 1 109 A GLN 110 2 85.45 1 110 A LEU 111 2 94.46 1 111 A LEU 112 2 97.43 1 112 A VAL 113 2 98.01 1 113 A LYS 114 2 94.13 1 114 A TYR 115 2 97.29 1 115 A SER 116 2 97.51 1 116 A ASN 117 2 94.35 1 117 A TYR 118 2 96.04 1 118 A THR 119 2 96.20 1 119 A ILE 120 2 97.98 1 120 A GLU 121 2 93.88 1 121 A ILE 122 2 96.07 1 122 A TYR 123 2 96.88 1 123 A ASP 124 2 91.99 1 124 A ILE 125 2 93.11 1 125 A TYR 126 2 96.82 1 126 A PHE 127 2 95.28 1 127 A LYS 128 2 93.58 1 128 A GLY 129 2 96.77 1 129 A HIS 130 2 90.25 1 130 A ILE 131 2 94.19 1 131 A TYR 132 2 93.84 1 132 A GLU 133 2 88.47 1 133 A PHE 134 2 95.13 1 134 A PRO 135 2 95.71 1 135 A LEU 136 2 96.62 1 136 A VAL 137 2 96.88 1 137 A SER 138 2 98.03 1 138 A GLN 139 2 94.57 1 139 A GLN 140 2 95.70 1 140 A GLY 141 2 95.92 1 141 A HIS 142 2 91.85 1 142 A LEU 143 2 97.94 1 143 A ASN 144 2 96.03 1 144 A VAL 145 2 98.46 1 145 A TYR 146 2 97.40 1 146 A ASN 147 2 93.04 1 147 A VAL 148 2 97.26 1 148 A PRO 149 2 96.16 1 149 A GLU 150 2 90.77 1 150 A PRO 151 2 95.30 1 151 A ARG 152 2 81.00 1 152 A ASN 153 2 85.46 1 153 A VAL 154 2 91.86 1 154 A TYR 155 2 90.17 1 155 A LEU 156 2 91.36 1 156 A ILE 157 2 89.68 1 157 A TYR 158 2 87.40 1 158 A TYR 159 2 89.75 1 159 A GLU 160 2 87.31 1 160 A ASN 161 2 91.76 1 161 A ASN 162 2 90.54 1 162 A GLU 163 2 87.18 1 163 A GLU 164 2 88.33 1 164 A LYS 165 2 88.00 1 165 A LYS 166 2 84.34 1 166 A GLU 167 2 85.80 1 167 A LEU 168 2 91.82 1 168 A ASN 169 2 95.07 1 169 A LYS 170 2 88.40 1 170 A ASP 171 2 94.34 1 171 A LEU 172 2 96.44 1 172 A PHE 173 2 97.40 1 173 A ASN 174 2 95.87 1 174 A GLU 175 2 92.89 1 175 A VAL 176 2 97.87 1 176 A SER 177 2 97.18 1 177 A GLU 178 2 94.00 1 178 A PHE 179 2 97.74 1 179 A MET 180 2 92.98 1 180 A ILE 181 2 97.77 1 181 A TYR 182 2 95.76 1 182 A ASN 183 2 92.46 1 183 A HIS 184 2 96.49 1 184 A ARG 185 2 93.66 1 185 A VAL 186 2 98.55 1 186 A THR 187 2 97.68 1 187 A PHE 188 2 98.37 1 188 A GLU 189 2 94.06 1 189 A LYS 190 2 92.32 1 190 A PRO 191 2 97.43 1 191 A VAL 192 2 98.17 1 192 A LEU 193 2 97.45 1 193 A GLU 194 2 96.31 1 194 A PHE 195 2 96.33 1 195 A LYS 196 2 90.68 1 196 A ASN 197 2 87.16 1 197 A LEU 198 2 96.78 1 198 A GLN 199 2 90.23 1 199 A ILE 200 2 97.00 1 200 A THR 201 2 93.33 1 201 A PRO 202 2 95.16 1 202 A GLY 203 2 97.07 1 203 A GLY 204 2 97.98 1 204 A GLY 205 2 98.16 1 205 A ALA 206 2 98.64 1 206 A LEU 207 2 98.31 1 207 A VAL 208 2 97.50 1 208 A TYR 209 2 97.13 1 209 A VAL 210 2 97.90 1 210 A PRO 211 2 96.55 1 211 A GLU 212 2 88.57 1 212 A SER 213 2 95.65 1 213 A MET 214 2 94.67 1 214 A TYR 215 2 92.74 1 215 A VAL 216 2 98.33 1 216 A LYS 217 2 93.84 1 217 A LEU 218 2 98.27 1 218 A GLU 219 2 94.88 1 219 A SER 220 2 94.52 1 220 A SER 221 2 92.55 1 221 A ASP 222 2 87.29 1 222 A HIS 223 2 90.83 1 223 A GLN 224 2 87.72 1 224 A SER 225 2 95.27 1 225 A VAL 226 2 97.52 1 226 A GLU 227 2 91.10 1 227 A PHE 228 2 98.37 1 228 A ARG 229 2 87.92 1 229 A PRO 230 2 98.02 1 230 A SER 231 2 96.60 1 231 A ARG 232 2 88.80 1 232 A ASP 233 2 94.66 1 233 A ASP 234 2 97.09 1 234 A TRP 235 2 97.17 1 235 A LEU 236 2 98.47 1 236 A LEU 237 2 98.38 1 237 A PHE 238 2 98.62 1 238 A SER 239 2 98.38 1 239 A HIS 240 2 96.94 1 240 A PRO 241 2 96.65 1 241 A ARG 242 2 84.67 1 242 A PRO 243 2 92.99 1 243 A ARG 244 2 71.71 1 244 A ARG 245 2 65.79 1 245 A SER 246 2 68.95 1 246 A GLY 247 2 56.22 1 247 A ASN 248 2 43.38 1 248 A ASP 249 2 28.35 1 249 # _ma_software_group.group_id 1 _ma_software_group.ordinal_id 1 _ma_software_group.software_id 1 # _ma_target_entity.data_id 1 _ma_target_entity.entity_id 1 _ma_target_entity.origin . # _ma_target_entity_instance.asym_id A _ma_target_entity_instance.details . _ma_target_entity_instance.entity_id 1 # loop_ _pdbx_data_usage.details _pdbx_data_usage.id _pdbx_data_usage.type _pdbx_data_usage.url ;Non-commercial use only, by using this file you agree to the terms of use found at https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md. To request access to the AlphaFold 3 model parameters, follow the process set out at https://github.com/google-deepmind/alphafold3. You may only use these if received directly from Google. Use is subject to terms of use available at https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md. ; 1 license https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md ;AlphaFold 3 and its output are not intended for, have not been validated for, and are not approved for clinical use. They are provided "as-is" without any warranty of any kind, whether expressed or implied. No warranty is given that use shall not infringe the rights of any third party. ; 2 disclaimer ? # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.hetero _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.seq_id A 1 1 n MET . 1 A 1 A 2 1 n GLU . 2 A 2 A 3 1 n VAL . 3 A 3 A 4 1 n LYS . 4 A 4 A 5 1 n GLN . 5 A 5 A 6 1 n ILE . 6 A 6 A 7 1 n LYS . 7 A 7 A 8 1 n LYS . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n ASN . 10 A 10 A 11 1 n ASN . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n PRO . 13 A 13 A 14 1 n TRP . 14 A 14 A 15 1 n VAL . 15 A 15 A 16 1 n PHE . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n ASP . 18 A 18 A 19 1 n THR . 19 A 19 A 20 1 n TYR . 20 A 20 A 21 1 n LEU . 21 A 21 A 22 1 n ASN . 22 A 22 A 23 1 n LYS . 23 A 23 A 24 1 n PHE . 24 A 24 A 25 1 n ALA . 25 A 25 A 26 1 n LEU . 26 A 26 A 27 1 n ASP . 27 A 27 A 28 1 n LYS . 28 A 28 A 29 1 n ASN . 29 A 29 A 30 1 n PHE . 30 A 30 A 31 1 n VAL . 31 A 31 A 32 1 n ASN . 32 A 32 A 33 1 n CYS . 33 A 33 A 34 1 n ALA . 34 A 34 A 35 1 n TYR . 35 A 35 A 36 1 n TYR . 36 A 36 A 37 1 n SER . 37 A 37 A 38 1 n SER . 38 A 38 A 39 1 n ARG . 39 A 39 A 40 1 n SER . 40 A 40 A 41 1 n GLY . 41 A 41 A 42 1 n MET . 42 A 42 A 43 1 n THR . 43 A 43 A 44 1 n GLN . 44 A 44 A 45 1 n GLU . 45 A 45 A 46 1 n GLY . 46 A 46 A 47 1 n CYS . 47 A 47 A 48 1 n VAL . 48 A 48 A 49 1 n GLN . 49 A 49 A 50 1 n VAL . 50 A 50 A 51 1 n MET . 51 A 51 A 52 1 n GLN . 52 A 52 A 53 1 n VAL . 53 A 53 A 54 1 n GLY . 54 A 54 A 55 1 n ASP . 55 A 55 A 56 1 n ASN . 56 A 56 A 57 1 n PHE . 57 A 57 A 58 1 n LYS . 58 A 58 A 59 1 n VAL . 59 A 59 A 60 1 n ASP . 60 A 60 A 61 1 n THR . 61 A 61 A 62 1 n MET . 62 A 62 A 63 1 n ARG . 63 A 63 A 64 1 n GLU . 64 A 64 A 65 1 n VAL . 65 A 65 A 66 1 n HIS . 66 A 66 A 67 1 n GLY . 67 A 67 A 68 1 n ILE . 68 A 68 A 69 1 n TYR . 69 A 69 A 70 1 n PHE . 70 A 70 A 71 1 n THR . 71 A 71 A 72 1 n PRO . 72 A 72 A 73 1 n HIS . 73 A 73 A 74 1 n ALA . 74 A 74 A 75 1 n SER . 75 A 75 A 76 1 n ILE . 76 A 76 A 77 1 n ILE . 77 A 77 A 78 1 n SER . 78 A 78 A 79 1 n LEU . 79 A 79 A 80 1 n ILE . 80 A 80 A 81 1 n TYR . 81 A 81 A 82 1 n ARG . 82 A 82 A 83 1 n GLN . 83 A 83 A 84 1 n LYS . 84 A 84 A 85 1 n GLY . 85 A 85 A 86 1 n ILE . 86 A 86 A 87 1 n ARG . 87 A 87 A 88 1 n SER . 88 A 88 A 89 1 n ILE . 89 A 89 A 90 1 n ASP . 90 A 90 A 91 1 n ASP . 91 A 91 A 92 1 n LEU . 92 A 92 A 93 1 n LYS . 93 A 93 A 94 1 n GLU . 94 A 94 A 95 1 n ILE . 95 A 95 A 96 1 n LEU . 96 A 96 A 97 1 n GLY . 97 A 97 A 98 1 n SER . 98 A 98 A 99 1 n LEU . 99 A 99 A 100 1 n ASN . 100 A 100 A 101 1 n LEU . 101 A 101 A 102 1 n SER . 102 A 102 A 103 1 n LYS . 103 A 103 A 104 1 n VAL . 104 A 104 A 105 1 n SER . 105 A 105 A 106 1 n PRO . 106 A 106 A 107 1 n LYS . 107 A 107 A 108 1 n HIS . 108 A 108 A 109 1 n TYR . 109 A 109 A 110 1 n GLN . 110 A 110 A 111 1 n LEU . 111 A 111 A 112 1 n LEU . 112 A 112 A 113 1 n VAL . 113 A 113 A 114 1 n LYS . 114 A 114 A 115 1 n TYR . 115 A 115 A 116 1 n SER . 116 A 116 A 117 1 n ASN . 117 A 117 A 118 1 n TYR . 118 A 118 A 119 1 n THR . 119 A 119 A 120 1 n ILE . 120 A 120 A 121 1 n GLU . 121 A 121 A 122 1 n ILE . 122 A 122 A 123 1 n TYR . 123 A 123 A 124 1 n ASP . 124 A 124 A 125 1 n ILE . 125 A 125 A 126 1 n TYR . 126 A 126 A 127 1 n PHE . 127 A 127 A 128 1 n LYS . 128 A 128 A 129 1 n GLY . 129 A 129 A 130 1 n HIS . 130 A 130 A 131 1 n ILE . 131 A 131 A 132 1 n TYR . 132 A 132 A 133 1 n GLU . 133 A 133 A 134 1 n PHE . 134 A 134 A 135 1 n PRO . 135 A 135 A 136 1 n LEU . 136 A 136 A 137 1 n VAL . 137 A 137 A 138 1 n SER . 138 A 138 A 139 1 n GLN . 139 A 139 A 140 1 n GLN . 140 A 140 A 141 1 n GLY . 141 A 141 A 142 1 n HIS . 142 A 142 A 143 1 n LEU . 143 A 143 A 144 1 n ASN . 144 A 144 A 145 1 n VAL . 145 A 145 A 146 1 n TYR . 146 A 146 A 147 1 n ASN . 147 A 147 A 148 1 n VAL . 148 A 148 A 149 1 n PRO . 149 A 149 A 150 1 n GLU . 150 A 150 A 151 1 n PRO . 151 A 151 A 152 1 n ARG . 152 A 152 A 153 1 n ASN . 153 A 153 A 154 1 n VAL . 154 A 154 A 155 1 n TYR . 155 A 155 A 156 1 n LEU . 156 A 156 A 157 1 n ILE . 157 A 157 A 158 1 n TYR . 158 A 158 A 159 1 n TYR . 159 A 159 A 160 1 n GLU . 160 A 160 A 161 1 n ASN . 161 A 161 A 162 1 n ASN . 162 A 162 A 163 1 n GLU . 163 A 163 A 164 1 n GLU . 164 A 164 A 165 1 n LYS . 165 A 165 A 166 1 n LYS . 166 A 166 A 167 1 n GLU . 167 A 167 A 168 1 n LEU . 168 A 168 A 169 1 n ASN . 169 A 169 A 170 1 n LYS . 170 A 170 A 171 1 n ASP . 171 A 171 A 172 1 n LEU . 172 A 172 A 173 1 n PHE . 173 A 173 A 174 1 n ASN . 174 A 174 A 175 1 n GLU . 175 A 175 A 176 1 n VAL . 176 A 176 A 177 1 n SER . 177 A 177 A 178 1 n GLU . 178 A 178 A 179 1 n PHE . 179 A 179 A 180 1 n MET . 180 A 180 A 181 1 n ILE . 181 A 181 A 182 1 n TYR . 182 A 182 A 183 1 n ASN . 183 A 183 A 184 1 n HIS . 184 A 184 A 185 1 n ARG . 185 A 185 A 186 1 n VAL . 186 A 186 A 187 1 n THR . 187 A 187 A 188 1 n PHE . 188 A 188 A 189 1 n GLU . 189 A 189 A 190 1 n LYS . 190 A 190 A 191 1 n PRO . 191 A 191 A 192 1 n VAL . 192 A 192 A 193 1 n LEU . 193 A 193 A 194 1 n GLU . 194 A 194 A 195 1 n PHE . 195 A 195 A 196 1 n LYS . 196 A 196 A 197 1 n ASN . 197 A 197 A 198 1 n LEU . 198 A 198 A 199 1 n GLN . 199 A 199 A 200 1 n ILE . 200 A 200 A 201 1 n THR . 201 A 201 A 202 1 n PRO . 202 A 202 A 203 1 n GLY . 203 A 203 A 204 1 n GLY . 204 A 204 A 205 1 n GLY . 205 A 205 A 206 1 n ALA . 206 A 206 A 207 1 n LEU . 207 A 207 A 208 1 n VAL . 208 A 208 A 209 1 n TYR . 209 A 209 A 210 1 n VAL . 210 A 210 A 211 1 n PRO . 211 A 211 A 212 1 n GLU . 212 A 212 A 213 1 n SER . 213 A 213 A 214 1 n MET . 214 A 214 A 215 1 n TYR . 215 A 215 A 216 1 n VAL . 216 A 216 A 217 1 n LYS . 217 A 217 A 218 1 n LEU . 218 A 218 A 219 1 n GLU . 219 A 219 A 220 1 n SER . 220 A 220 A 221 1 n SER . 221 A 221 A 222 1 n ASP . 222 A 222 A 223 1 n HIS . 223 A 223 A 224 1 n GLN . 224 A 224 A 225 1 n SER . 225 A 225 A 226 1 n VAL . 226 A 226 A 227 1 n GLU . 227 A 227 A 228 1 n PHE . 228 A 228 A 229 1 n ARG . 229 A 229 A 230 1 n PRO . 230 A 230 A 231 1 n SER . 231 A 231 A 232 1 n ARG . 232 A 232 A 233 1 n ASP . 233 A 233 A 234 1 n ASP . 234 A 234 A 235 1 n TRP . 235 A 235 A 236 1 n LEU . 236 A 236 A 237 1 n LEU . 237 A 237 A 238 1 n PHE . 238 A 238 A 239 1 n SER . 239 A 239 A 240 1 n HIS . 240 A 240 A 241 1 n PRO . 241 A 241 A 242 1 n ARG . 242 A 242 A 243 1 n PRO . 243 A 243 A 244 1 n ARG . 244 A 244 A 245 1 n ARG . 245 A 245 A 246 1 n SER . 246 A 246 A 247 1 n GLY . 247 A 247 A 248 1 n ASN . 248 A 248 A 249 1 n ASP . 249 A 249 # _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 ? 17.502 19.365 0.932 1.00 68.84 1 A 1 ATOM 2 C CA . MET A 1 1 ? 18.262 18.739 2.036 1.00 84.40 1 A 1 ATOM 3 C C . MET A 1 1 ? 17.460 17.543 2.516 1.00 85.38 1 A 1 ATOM 4 O O . MET A 1 1 ? 16.297 17.729 2.862 1.00 82.24 1 A 1 ATOM 5 C CB . MET A 1 1 ? 18.499 19.750 3.171 1.00 81.04 1 A 1 ATOM 6 C CG . MET A 1 1 ? 19.390 19.203 4.295 1.00 71.17 1 A 1 ATOM 7 S SD . MET A 1 1 ? 19.750 20.433 5.587 1.00 65.93 1 A 1 ATOM 8 C CE . MET A 1 1 ? 18.212 20.397 6.549 1.00 57.92 1 A 1 ATOM 9 N N . GLU A 1 2 ? 18.031 16.351 2.468 1.00 69.42 2 A 1 ATOM 10 C CA . GLU A 1 2 ? 17.398 15.143 3.005 1.00 75.76 2 A 1 ATOM 11 C C . GLU A 1 2 ? 17.806 14.968 4.470 1.00 75.12 2 A 1 ATOM 12 O O . GLU A 1 2 ? 18.961 15.208 4.832 1.00 74.16 2 A 1 ATOM 13 C CB . GLU A 1 2 ? 17.779 13.907 2.188 1.00 73.77 2 A 1 ATOM 14 C CG . GLU A 1 2 ? 17.172 13.954 0.776 1.00 63.74 2 A 1 ATOM 15 C CD . GLU A 1 2 ? 17.487 12.700 -0.050 1.00 59.99 2 A 1 ATOM 16 O OE1 . GLU A 1 2 ? 16.899 12.600 -1.146 1.00 55.35 2 A 1 ATOM 17 O OE2 . GLU A 1 2 ? 18.317 11.886 0.410 1.00 57.90 2 A 1 ATOM 18 N N . VAL A 1 3 ? 16.861 14.589 5.324 1.00 77.29 3 A 1 ATOM 19 C CA . VAL A 1 3 ? 17.084 14.349 6.753 1.00 80.64 3 A 1 ATOM 20 C C . VAL A 1 3 ? 16.549 12.962 7.089 1.00 80.69 3 A 1 ATOM 21 O O . VAL A 1 3 ? 15.368 12.690 6.883 1.00 78.73 3 A 1 ATOM 22 C CB . VAL A 1 3 ? 16.418 15.429 7.633 1.00 78.43 3 A 1 ATOM 23 C CG1 . VAL A 1 3 ? 16.678 15.169 9.122 1.00 69.26 3 A 1 ATOM 24 C CG2 . VAL A 1 3 ? 16.946 16.835 7.308 1.00 70.88 3 A 1 ATOM 25 N N . LYS A 1 4 ? 17.421 12.095 7.621 1.00 77.07 4 A 1 ATOM 26 C CA . LYS A 1 4 ? 17.007 10.794 8.164 1.00 78.90 4 A 1 ATOM 27 C C . LYS A 1 4 ? 16.527 10.979 9.603 1.00 79.02 4 A 1 ATOM 28 O O . LYS A 1 4 ? 17.214 11.593 10.417 1.00 78.45 4 A 1 ATOM 29 C CB . LYS A 1 4 ? 18.135 9.752 8.072 1.00 77.03 4 A 1 ATOM 30 C CG . LYS A 1 4 ? 18.467 9.338 6.622 1.00 70.48 4 A 1 ATOM 31 C CD . LYS A 1 4 ? 19.362 8.087 6.591 1.00 67.52 4 A 1 ATOM 32 C CE . LYS A 1 4 ? 19.613 7.588 5.157 1.00 61.34 4 A 1 ATOM 33 N NZ . LYS A 1 4 ? 20.040 6.154 5.120 1.00 54.42 4 A 1 ATOM 34 N N . GLN A 1 5 ? 15.356 10.428 9.920 1.00 78.11 5 A 1 ATOM 35 C CA . GLN A 1 5 ? 14.803 10.406 11.273 1.00 82.65 5 A 1 ATOM 36 C C . GLN A 1 5 ? 14.638 8.958 11.730 1.00 83.33 5 A 1 ATOM 37 O O . GLN A 1 5 ? 14.018 8.156 11.036 1.00 82.14 5 A 1 ATOM 38 C CB . GLN A 1 5 ? 13.457 11.149 11.335 1.00 80.34 5 A 1 ATOM 39 C CG . GLN A 1 5 ? 13.605 12.661 11.106 1.00 69.28 5 A 1 ATOM 40 C CD . GLN A 1 5 ? 12.293 13.425 11.286 1.00 66.76 5 A 1 ATOM 41 O OE1 . GLN A 1 5 ? 11.215 12.877 11.457 1.00 60.82 5 A 1 ATOM 42 N NE2 . GLN A 1 5 ? 12.330 14.740 11.264 1.00 58.85 5 A 1 ATOM 43 N N . ILE A 1 6 ? 15.160 8.642 12.912 1.00 78.16 6 A 1 ATOM 44 C CA . ILE A 1 6 ? 14.940 7.335 13.540 1.00 80.25 6 A 1 ATOM 45 C C . ILE A 1 6 ? 13.597 7.393 14.265 1.00 80.25 6 A 1 ATOM 46 O O . ILE A 1 6 ? 13.395 8.224 15.152 1.00 78.47 6 A 1 ATOM 47 C CB . ILE A 1 6 ? 16.110 6.944 14.472 1.00 79.48 6 A 1 ATOM 48 C CG1 . ILE A 1 6 ? 17.436 6.886 13.672 1.00 73.60 6 A 1 ATOM 49 C CG2 . ILE A 1 6 ? 15.815 5.589 15.141 1.00 73.02 6 A 1 ATOM 50 C CD1 . ILE A 1 6 ? 18.683 6.649 14.536 1.00 65.28 6 A 1 ATOM 51 N N . LYS A 1 7 ? 12.674 6.508 13.881 1.00 81.48 7 A 1 ATOM 52 C CA . LYS A 1 7 ? 11.337 6.432 14.474 1.00 81.83 7 A 1 ATOM 53 C C . LYS A 1 7 ? 11.012 4.995 14.854 1.00 83.93 7 A 1 ATOM 54 O O . LYS A 1 7 ? 11.112 4.095 14.030 1.00 83.34 7 A 1 ATOM 55 C CB . LYS A 1 7 ? 10.313 7.033 13.498 1.00 79.00 7 A 1 ATOM 56 C CG . LYS A 1 7 ? 8.909 7.118 14.123 1.00 71.05 7 A 1 ATOM 57 C CD . LYS A 1 7 ? 7.928 7.796 13.165 1.00 69.01 7 A 1 ATOM 58 C CE . LYS A 1 7 ? 6.544 7.876 13.812 1.00 62.09 7 A 1 ATOM 59 N NZ . LYS A 1 7 ? 5.561 8.523 12.910 1.00 55.01 7 A 1 ATOM 60 N N . LYS A 1 8 ? 10.555 4.795 16.087 1.00 82.15 8 A 1 ATOM 61 C CA . LYS A 1 8 ? 9.963 3.517 16.497 1.00 83.30 8 A 1 ATOM 62 C C . LYS A 1 8 ? 8.545 3.422 15.934 1.00 84.36 8 A 1 ATOM 63 O O . LYS A 1 8 ? 7.711 4.287 16.203 1.00 82.57 8 A 1 ATOM 64 C CB . LYS A 1 8 ? 10.019 3.381 18.029 1.00 81.82 8 A 1 ATOM 65 C CG . LYS A 1 8 ? 9.563 1.988 18.490 1.00 72.00 8 A 1 ATOM 66 C CD . LYS A 1 8 ? 9.715 1.818 20.009 1.00 67.62 8 A 1 ATOM 67 C CE . LYS A 1 8 ? 9.254 0.413 20.423 1.00 57.41 8 A 1 ATOM 68 N NZ . LYS A 1 8 ? 9.410 0.173 21.883 1.00 49.54 8 A 1 ATOM 69 N N . LEU A 1 9 ? 8.288 2.380 15.155 1.00 84.80 9 A 1 ATOM 70 C CA . LEU A 1 9 ? 6.951 2.028 14.680 1.00 85.15 9 A 1 ATOM 71 C C . LEU A 1 9 ? 6.411 0.882 15.534 1.00 87.17 9 A 1 ATOM 72 O O . LEU A 1 9 ? 7.078 -0.137 15.680 1.00 86.36 9 A 1 ATOM 73 C CB . LEU A 1 9 ? 7.000 1.639 13.191 1.00 83.94 9 A 1 ATOM 74 C CG . LEU A 1 9 ? 7.434 2.759 12.230 1.00 81.05 9 A 1 ATOM 75 C CD1 . LEU A 1 9 ? 7.470 2.211 10.802 1.00 77.08 9 A 1 ATOM 76 C CD2 . LEU A 1 9 ? 6.475 3.952 12.262 1.00 78.39 9 A 1 ATOM 77 N N . ASN A 1 10 ? 5.210 1.049 16.084 1.00 88.13 10 A 1 ATOM 78 C CA . ASN A 1 10 ? 4.540 -0.033 16.810 1.00 88.26 10 A 1 ATOM 79 C C . ASN A 1 10 ? 3.903 -1.041 15.843 1.00 90.81 10 A 1 ATOM 80 O O . ASN A 1 10 ? 3.851 -2.218 16.146 1.00 88.49 10 A 1 ATOM 81 C CB . ASN A 1 10 ? 3.480 0.559 17.751 1.00 86.28 10 A 1 ATOM 82 C CG . ASN A 1 10 ? 4.048 1.409 18.875 1.00 80.53 10 A 1 ATOM 83 O OD1 . ASN A 1 10 ? 5.215 1.360 19.239 1.00 73.59 10 A 1 ATOM 84 N ND2 . ASN A 1 10 ? 3.229 2.246 19.467 1.00 72.23 10 A 1 ATOM 85 N N . ASN A 1 11 ? 3.430 -0.553 14.695 1.00 92.48 11 A 1 ATOM 86 C CA . ASN A 1 11 ? 2.825 -1.369 13.649 1.00 93.44 11 A 1 ATOM 87 C C . ASN A 1 11 ? 3.254 -0.868 12.266 1.00 94.52 11 A 1 ATOM 88 O O . ASN A 1 11 ? 3.572 0.318 12.088 1.00 93.06 11 A 1 ATOM 89 C CB . ASN A 1 11 ? 1.294 -1.331 13.771 1.00 91.46 11 A 1 ATOM 90 C CG . ASN A 1 11 ? 0.774 -1.848 15.095 1.00 86.36 11 A 1 ATOM 91 O OD1 . ASN A 1 11 ? 0.395 -1.065 15.957 1.00 76.19 11 A 1 ATOM 92 N ND2 . ASN A 1 11 ? 0.727 -3.138 15.287 1.00 77.61 11 A 1 ATOM 93 N N . LEU A 1 12 ? 3.189 -1.762 11.294 1.00 94.76 12 A 1 ATOM 94 C CA . LEU A 1 12 ? 3.364 -1.436 9.890 1.00 95.68 12 A 1 ATOM 95 C C . LEU A 1 12 ? 2.217 -0.508 9.433 1.00 95.84 12 A 1 ATOM 96 O O . LEU A 1 12 ? 1.043 -0.783 9.706 1.00 94.22 12 A 1 ATOM 97 C CB . LEU A 1 12 ? 3.446 -2.751 9.093 1.00 94.79 12 A 1 ATOM 98 C CG . LEU A 1 12 ? 3.989 -2.608 7.663 1.00 93.66 12 A 1 ATOM 99 C CD1 . LEU A 1 12 ? 5.414 -2.049 7.616 1.00 91.86 12 A 1 ATOM 100 C CD2 . LEU A 1 12 ? 4.029 -3.990 7.003 1.00 92.22 12 A 1 ATOM 101 N N . PRO A 1 13 ? 2.518 0.621 8.776 1.00 95.98 13 A 1 ATOM 102 C CA . PRO A 1 13 ? 1.488 1.527 8.268 1.00 95.56 13 A 1 ATOM 103 C C . PRO A 1 13 ? 0.612 0.874 7.193 1.00 96.44 13 A 1 ATOM 104 O O . PRO A 1 13 ? 1.081 0.040 6.433 1.00 96.10 13 A 1 ATOM 105 C CB . PRO A 1 13 ? 2.244 2.737 7.710 1.00 94.24 13 A 1 ATOM 106 C CG . PRO A 1 13 ? 3.573 2.702 8.456 1.00 92.41 13 A 1 ATOM 107 C CD . PRO A 1 13 ? 3.836 1.213 8.616 1.00 94.67 13 A 1 ATOM 108 N N . TRP A 1 14 ? -0.649 1.312 7.075 1.00 96.81 14 A 1 ATOM 109 C CA . TRP A 1 14 ? -1.566 0.826 6.031 1.00 97.24 14 A 1 ATOM 110 C C . TRP A 1 14 ? -1.049 1.042 4.609 1.00 97.82 14 A 1 ATOM 111 O O . TRP A 1 14 ? -1.306 0.221 3.729 1.00 97.31 14 A 1 ATOM 112 C CB . TRP A 1 14 ? -2.910 1.542 6.175 1.00 96.56 14 A 1 ATOM 113 C CG . TRP A 1 14 ? -3.707 1.146 7.369 1.00 95.41 14 A 1 ATOM 114 C CD1 . TRP A 1 14 ? -4.093 1.955 8.379 1.00 91.40 14 A 1 ATOM 115 C CD2 . TRP A 1 14 ? -4.266 -0.166 7.676 1.00 92.98 14 A 1 ATOM 116 N NE1 . TRP A 1 14 ? -4.851 1.243 9.282 1.00 89.40 14 A 1 ATOM 117 C CE2 . TRP A 1 14 ? -4.996 -0.070 8.895 1.00 91.56 14 A 1 ATOM 118 C CE3 . TRP A 1 14 ? -4.237 -1.429 7.037 1.00 88.81 14 A 1 ATOM 119 C CZ2 . TRP A 1 14 ? -5.675 -1.166 9.449 1.00 88.00 14 A 1 ATOM 120 C CZ3 . TRP A 1 14 ? -4.910 -2.533 7.588 1.00 87.03 14 A 1 ATOM 121 C CH2 . TRP A 1 14 ? -5.630 -2.403 8.789 1.00 85.88 14 A 1 ATOM 122 N N . VAL A 1 15 ? -0.335 2.141 4.390 1.00 97.84 15 A 1 ATOM 123 C CA . VAL A 1 15 ? 0.342 2.454 3.133 1.00 98.02 15 A 1 ATOM 124 C C . VAL A 1 15 ? 1.727 3.027 3.411 1.00 97.81 15 A 1 ATOM 125 O O . VAL A 1 15 ? 1.903 3.852 4.312 1.00 97.32 15 A 1 ATOM 126 C CB . VAL A 1 15 ? -0.460 3.412 2.232 1.00 97.96 15 A 1 ATOM 127 C CG1 . VAL A 1 15 ? -1.776 2.787 1.765 1.00 97.08 15 A 1 ATOM 128 C CG2 . VAL A 1 15 ? -0.764 4.765 2.891 1.00 96.29 15 A 1 ATOM 129 N N . PHE A 1 16 ? 2.712 2.601 2.629 1.00 97.94 16 A 1 ATOM 130 C CA . PHE A 1 16 ? 4.090 3.081 2.761 1.00 97.97 16 A 1 ATOM 131 C C . PHE A 1 16 ? 4.887 2.830 1.479 1.00 98.00 16 A 1 ATOM 132 O O . PHE A 1 16 ? 4.390 2.215 0.533 1.00 97.90 16 A 1 ATOM 133 C CB . PHE A 1 16 ? 4.754 2.425 3.985 1.00 98.00 16 A 1 ATOM 134 C CG . PHE A 1 16 ? 4.879 0.913 3.914 1.00 98.19 16 A 1 ATOM 135 C CD1 . PHE A 1 16 ? 3.801 0.096 4.302 1.00 97.87 16 A 1 ATOM 136 C CD2 . PHE A 1 16 ? 6.074 0.325 3.462 1.00 97.90 16 A 1 ATOM 137 C CE1 . PHE A 1 16 ? 3.911 -1.302 4.233 1.00 97.70 16 A 1 ATOM 138 C CE2 . PHE A 1 16 ? 6.183 -1.075 3.393 1.00 97.68 16 A 1 ATOM 139 C CZ . PHE A 1 16 ? 5.100 -1.892 3.777 1.00 97.82 16 A 1 ATOM 140 N N . LEU A 1 17 ? 6.113 3.327 1.456 1.00 97.92 17 A 1 ATOM 141 C CA . LEU A 1 17 ? 7.082 3.067 0.403 1.00 97.74 17 A 1 ATOM 142 C C . LEU A 1 17 ? 8.369 2.524 1.021 1.00 97.54 17 A 1 ATOM 143 O O . LEU A 1 17 ? 8.743 2.922 2.125 1.00 96.99 17 A 1 ATOM 144 C CB . LEU A 1 17 ? 7.373 4.333 -0.418 1.00 97.57 17 A 1 ATOM 145 C CG . LEU A 1 17 ? 6.161 4.966 -1.138 1.00 96.63 17 A 1 ATOM 146 C CD1 . LEU A 1 17 ? 5.366 5.933 -0.255 1.00 94.03 17 A 1 ATOM 147 C CD2 . LEU A 1 17 ? 6.634 5.761 -2.355 1.00 93.54 17 A 1 ATOM 148 N N . ASP A 1 18 ? 9.069 1.660 0.293 1.00 97.50 18 A 1 ATOM 149 C CA . ASP A 1 18 ? 10.460 1.337 0.607 1.00 97.22 18 A 1 ATOM 150 C C . ASP A 1 18 ? 11.433 2.357 -0.019 1.00 96.95 18 A 1 ATOM 151 O O . ASP A 1 18 ? 11.041 3.301 -0.710 1.00 96.15 18 A 1 ATOM 152 C CB . ASP A 1 18 ? 10.768 -0.125 0.228 1.00 96.86 18 A 1 ATOM 153 C CG . ASP A 1 18 ? 10.874 -0.402 -1.276 1.00 96.88 18 A 1 ATOM 154 O OD1 . ASP A 1 18 ? 10.791 0.543 -2.090 1.00 94.94 18 A 1 ATOM 155 O OD2 . ASP A 1 18 ? 11.056 -1.583 -1.622 1.00 94.46 18 A 1 ATOM 156 N N . THR A 1 19 ? 12.731 2.153 0.219 1.00 95.70 19 A 1 ATOM 157 C CA . THR A 1 19 ? 13.794 3.014 -0.329 1.00 94.90 19 A 1 ATOM 158 C C . THR A 1 19 ? 13.944 2.919 -1.852 1.00 94.62 19 A 1 ATOM 159 O O . THR A 1 19 ? 14.546 3.802 -2.458 1.00 92.33 19 A 1 ATOM 160 C CB . THR A 1 19 ? 15.142 2.693 0.332 1.00 93.98 19 A 1 ATOM 161 O OG1 . THR A 1 19 ? 15.417 1.315 0.248 1.00 90.78 19 A 1 ATOM 162 C CG2 . THR A 1 19 ? 15.138 3.067 1.814 1.00 89.25 19 A 1 ATOM 163 N N . TYR A 1 20 ? 13.356 1.888 -2.485 1.00 95.23 20 A 1 ATOM 164 C CA . TYR A 1 20 ? 13.302 1.723 -3.942 1.00 94.64 20 A 1 ATOM 165 C C . TYR A 1 20 ? 12.024 2.307 -4.556 1.00 95.15 20 A 1 ATOM 166 O O . TYR A 1 20 ? 11.780 2.163 -5.755 1.00 93.27 20 A 1 ATOM 167 C CB . TYR A 1 20 ? 13.490 0.244 -4.301 1.00 93.63 20 A 1 ATOM 168 C CG . TYR A 1 20 ? 14.848 -0.301 -3.905 1.00 90.50 20 A 1 ATOM 169 C CD1 . TYR A 1 20 ? 15.948 -0.149 -4.776 1.00 85.05 20 A 1 ATOM 170 C CD2 . TYR A 1 20 ? 15.023 -0.941 -2.666 1.00 85.37 20 A 1 ATOM 171 C CE1 . TYR A 1 20 ? 17.214 -0.651 -4.412 1.00 82.17 20 A 1 ATOM 172 C CE2 . TYR A 1 20 ? 16.288 -1.440 -2.297 1.00 82.47 20 A 1 ATOM 173 C CZ . TYR A 1 20 ? 17.382 -1.302 -3.173 1.00 82.58 20 A 1 ATOM 174 O OH . TYR A 1 20 ? 18.595 -1.804 -2.824 1.00 80.52 20 A 1 ATOM 175 N N . LEU A 1 21 ? 11.223 2.992 -3.742 1.00 95.26 21 A 1 ATOM 176 C CA . LEU A 1 21 ? 9.953 3.623 -4.107 1.00 95.42 21 A 1 ATOM 177 C C . LEU A 1 21 ? 8.857 2.629 -4.535 1.00 96.13 21 A 1 ATOM 178 O O . LEU A 1 21 ? 7.872 3.037 -5.163 1.00 94.93 21 A 1 ATOM 179 C CB . LEU A 1 21 ? 10.171 4.766 -5.115 1.00 94.64 21 A 1 ATOM 180 C CG . LEU A 1 21 ? 11.258 5.792 -4.738 1.00 93.36 21 A 1 ATOM 181 C CD1 . LEU A 1 21 ? 11.399 6.817 -5.862 1.00 90.76 21 A 1 ATOM 182 C CD2 . LEU A 1 21 ? 10.918 6.534 -3.445 1.00 90.56 21 A 1 ATOM 183 N N . ASN A 1 22 ? 8.985 1.345 -4.170 1.00 96.74 22 A 1 ATOM 184 C CA . ASN A 1 22 ? 7.842 0.446 -4.200 1.00 97.34 22 A 1 ATOM 185 C C . ASN A 1 22 ? 6.810 0.937 -3.187 1.00 97.81 22 A 1 ATOM 186 O O . ASN A 1 22 ? 7.128 1.198 -2.024 1.00 97.36 22 A 1 ATOM 187 C CB . ASN A 1 22 ? 8.244 -1.003 -3.905 1.00 96.73 22 A 1 ATOM 188 C CG . ASN A 1 22 ? 8.910 -1.702 -5.070 1.00 95.29 22 A 1 ATOM 189 O OD1 . ASN A 1 22 ? 8.653 -1.438 -6.240 1.00 89.75 22 A 1 ATOM 190 N ND2 . ASN A 1 22 ? 9.743 -2.667 -4.778 1.00 88.80 22 A 1 ATOM 191 N N . LYS A 1 23 ? 5.573 1.079 -3.646 1.00 97.78 23 A 1 ATOM 192 C CA . LYS A 1 23 ? 4.436 1.488 -2.826 1.00 98.07 23 A 1 ATOM 193 C C . LYS A 1 23 ? 3.706 0.241 -2.367 1.00 98.24 23 A 1 ATOM 194 O O . LYS A 1 23 ? 3.312 -0.565 -3.210 1.00 97.99 23 A 1 ATOM 195 C CB . LYS A 1 23 ? 3.487 2.391 -3.622 1.00 97.70 23 A 1 ATOM 196 C CG . LYS A 1 23 ? 4.157 3.634 -4.209 1.00 96.81 23 A 1 ATOM 197 C CD . LYS A 1 23 ? 3.164 4.350 -5.127 1.00 95.68 23 A 1 ATOM 198 C CE . LYS A 1 23 ? 3.862 5.462 -5.906 1.00 91.42 23 A 1 ATOM 199 N NZ . LYS A 1 23 ? 2.964 6.009 -6.946 1.00 87.39 23 A 1 ATOM 200 N N . PHE A 1 24 ? 3.479 0.134 -1.070 1.00 98.55 24 A 1 ATOM 201 C CA . PHE A 1 24 ? 2.786 -0.972 -0.430 1.00 98.62 24 A 1 ATOM 202 C C . PHE A 1 24 ? 1.461 -0.490 0.146 1.00 98.61 24 A 1 ATOM 203 O O . PHE A 1 24 ? 1.409 0.578 0.760 1.00 98.38 24 A 1 ATOM 204 C CB . PHE A 1 24 ? 3.679 -1.572 0.657 1.00 98.61 24 A 1 ATOM 205 C CG . PHE A 1 24 ? 4.988 -2.129 0.133 1.00 98.63 24 A 1 ATOM 206 C CD1 . PHE A 1 24 ? 5.087 -3.490 -0.204 1.00 98.15 24 A 1 ATOM 207 C CD2 . PHE A 1 24 ? 6.099 -1.283 -0.042 1.00 98.20 24 A 1 ATOM 208 C CE1 . PHE A 1 24 ? 6.287 -4.004 -0.717 1.00 97.89 24 A 1 ATOM 209 C CE2 . PHE A 1 24 ? 7.298 -1.798 -0.563 1.00 97.88 24 A 1 ATOM 210 C CZ . PHE A 1 24 ? 7.390 -3.159 -0.901 1.00 98.00 24 A 1 ATOM 211 N N . ALA A 1 25 ? 0.410 -1.285 -0.028 1.00 98.38 25 A 1 ATOM 212 C CA . ALA A 1 25 ? -0.857 -1.116 0.667 1.00 98.36 25 A 1 ATOM 213 C C . ALA A 1 25 ? -1.293 -2.448 1.283 1.00 98.28 25 A 1 ATOM 214 O O . ALA A 1 25 ? -1.337 -3.467 0.593 1.00 97.90 25 A 1 ATOM 215 C CB . ALA A 1 25 ? -1.914 -0.551 -0.289 1.00 98.21 25 A 1 ATOM 216 N N . LEU A 1 26 ? -1.628 -2.422 2.574 1.00 97.63 26 A 1 ATOM 217 C CA . LEU A 1 26 ? -2.125 -3.575 3.338 1.00 96.88 26 A 1 ATOM 218 C C . LEU A 1 26 ? -3.654 -3.700 3.294 1.00 95.58 26 A 1 ATOM 219 O O . LEU A 1 26 ? -4.217 -4.640 3.845 1.00 92.39 26 A 1 ATOM 220 C CB . LEU A 1 26 ? -1.645 -3.460 4.799 1.00 96.72 26 A 1 ATOM 221 C CG . LEU A 1 26 ? -0.124 -3.362 4.992 1.00 95.83 26 A 1 ATOM 222 C CD1 . LEU A 1 26 ? 0.177 -3.254 6.487 1.00 92.07 26 A 1 ATOM 223 C CD2 . LEU A 1 26 ? 0.609 -4.579 4.450 1.00 91.49 26 A 1 ATOM 224 N N . ASP A 1 27 ? -4.323 -2.735 2.675 1.00 95.03 27 A 1 ATOM 225 C CA . ASP A 1 27 ? -5.775 -2.667 2.570 1.00 93.98 27 A 1 ATOM 226 C C . ASP A 1 27 ? -6.169 -2.219 1.156 1.00 94.46 27 A 1 ATOM 227 O O . ASP A 1 27 ? -5.390 -1.582 0.449 1.00 92.24 27 A 1 ATOM 228 C CB . ASP A 1 27 ? -6.312 -1.716 3.656 1.00 91.29 27 A 1 ATOM 229 C CG . ASP A 1 27 ? -7.828 -1.827 3.797 1.00 89.31 27 A 1 ATOM 230 O OD1 . ASP A 1 27 ? -8.532 -1.122 3.046 1.00 84.32 27 A 1 ATOM 231 O OD2 . ASP A 1 27 ? -8.294 -2.646 4.607 1.00 82.07 27 A 1 ATOM 232 N N . LYS A 1 28 ? -7.397 -2.549 0.738 1.00 95.26 28 A 1 ATOM 233 C CA . LYS A 1 28 ? -7.961 -2.125 -0.550 1.00 94.99 28 A 1 ATOM 234 C C . LYS A 1 28 ? -8.304 -0.631 -0.604 1.00 96.27 28 A 1 ATOM 235 O O . LYS A 1 28 ? -8.453 -0.079 -1.688 1.00 95.42 28 A 1 ATOM 236 C CB . LYS A 1 28 ? -9.179 -3.002 -0.886 1.00 93.00 28 A 1 ATOM 237 C CG . LYS A 1 28 ? -10.340 -2.795 0.099 1.00 86.14 28 A 1 ATOM 238 C CD . LYS A 1 28 ? -11.517 -3.722 -0.221 1.00 81.63 28 A 1 ATOM 239 C CE . LYS A 1 28 ? -12.633 -3.461 0.794 1.00 71.16 28 A 1 ATOM 240 N NZ . LYS A 1 28 ? -13.790 -4.371 0.577 1.00 61.17 28 A 1 ATOM 241 N N . ASN A 1 29 ? -8.445 0.017 0.546 1.00 95.71 29 A 1 ATOM 242 C CA . ASN A 1 29 ? -8.810 1.427 0.658 1.00 96.35 29 A 1 ATOM 243 C C . ASN A 1 29 ? -7.573 2.322 0.512 1.00 97.45 29 A 1 ATOM 244 O O . ASN A 1 29 ? -7.087 2.928 1.469 1.00 96.69 29 A 1 ATOM 245 C CB . ASN A 1 29 ? -9.552 1.658 1.980 1.00 95.13 29 A 1 ATOM 246 C CG . ASN A 1 29 ? -10.813 0.836 2.117 1.00 91.86 29 A 1 ATOM 247 O OD1 . ASN A 1 29 ? -11.632 0.726 1.223 1.00 83.90 29 A 1 ATOM 248 N ND2 . ASN A 1 29 ? -11.005 0.215 3.254 1.00 82.47 29 A 1 ATOM 249 N N . PHE A 1 30 ? -7.042 2.410 -0.690 1.00 97.81 30 A 1 ATOM 250 C CA . PHE A 1 30 ? -5.923 3.294 -0.991 1.00 97.94 30 A 1 ATOM 251 C C . PHE A 1 30 ? -6.062 3.963 -2.358 1.00 98.03 30 A 1 ATOM 252 O O . PHE A 1 30 ? -6.715 3.472 -3.276 1.00 97.63 30 A 1 ATOM 253 C CB . PHE A 1 30 ? -4.593 2.531 -0.877 1.00 97.77 30 A 1 ATOM 254 C CG . PHE A 1 30 ? -4.320 1.575 -2.021 1.00 97.95 30 A 1 ATOM 255 C CD1 . PHE A 1 30 ? -4.825 0.263 -1.986 1.00 97.11 30 A 1 ATOM 256 C CD2 . PHE A 1 30 ? -3.575 1.999 -3.136 1.00 97.12 30 A 1 ATOM 257 C CE1 . PHE A 1 30 ? -4.590 -0.616 -3.055 1.00 96.33 30 A 1 ATOM 258 C CE2 . PHE A 1 30 ? -3.340 1.118 -4.208 1.00 96.42 30 A 1 ATOM 259 C CZ . PHE A 1 30 ? -3.846 -0.190 -4.167 1.00 96.42 30 A 1 ATOM 260 N N . VAL A 1 31 ? -5.371 5.086 -2.503 1.00 98.32 31 A 1 ATOM 261 C CA . VAL A 1 31 ? -5.234 5.819 -3.761 1.00 98.40 31 A 1 ATOM 262 C C . VAL A 1 31 ? -3.761 5.863 -4.148 1.00 98.48 31 A 1 ATOM 263 O O . VAL A 1 31 ? -2.922 6.396 -3.422 1.00 98.08 31 A 1 ATOM 264 C CB . VAL A 1 31 ? -5.856 7.219 -3.641 1.00 97.87 31 A 1 ATOM 265 C CG1 . VAL A 1 31 ? -5.645 8.039 -4.913 1.00 95.48 31 A 1 ATOM 266 C CG2 . VAL A 1 31 ? -7.367 7.116 -3.412 1.00 95.41 31 A 1 ATOM 267 N N . ASN A 1 32 ? -3.443 5.313 -5.315 1.00 98.05 32 A 1 ATOM 268 C CA . ASN A 1 32 ? -2.120 5.449 -5.912 1.00 97.83 32 A 1 ATOM 269 C C . ASN A 1 32 ? -2.071 6.722 -6.766 1.00 97.87 32 A 1 ATOM 270 O O . ASN A 1 32 ? -2.661 6.786 -7.845 1.00 97.18 32 A 1 ATOM 271 C CB . ASN A 1 32 ? -1.767 4.177 -6.698 1.00 97.14 32 A 1 ATOM 272 C CG . ASN A 1 32 ? -0.348 4.201 -7.246 1.00 96.44 32 A 1 ATOM 273 O OD1 . ASN A 1 32 ? 0.454 5.089 -6.984 1.00 93.88 32 A 1 ATOM 274 N ND2 . ASN A 1 32 ? 0.023 3.202 -8.007 1.00 92.26 32 A 1 ATOM 275 N N . CYS A 1 33 ? -1.354 7.716 -6.276 1.00 97.29 33 A 1 ATOM 276 C CA . CYS A 1 33 ? -1.139 8.992 -6.933 1.00 97.00 33 A 1 ATOM 277 C C . CYS A 1 33 ? 0.149 8.967 -7.761 1.00 95.73 33 A 1 ATOM 278 O O . CYS A 1 33 ? 1.124 9.661 -7.464 1.00 92.94 33 A 1 ATOM 279 C CB . CYS A 1 33 ? -1.183 10.104 -5.887 1.00 97.08 33 A 1 ATOM 280 S SG . CYS A 1 33 ? -2.827 10.299 -5.165 1.00 96.88 33 A 1 ATOM 281 N N . ALA A 1 34 ? 0.176 8.110 -8.779 1.00 95.61 34 A 1 ATOM 282 C CA . ALA A 1 34 ? 1.201 8.153 -9.806 1.00 94.27 34 A 1 ATOM 283 C C . ALA A 1 34 ? 0.733 9.097 -10.921 1.00 94.56 34 A 1 ATOM 284 O O . ALA A 1 34 ? -0.347 8.898 -11.465 1.00 92.10 34 A 1 ATOM 285 C CB . ALA A 1 34 ? 1.465 6.734 -10.320 1.00 91.90 34 A 1 ATOM 286 N N . TYR A 1 35 ? 1.540 10.099 -11.244 1.00 93.90 35 A 1 ATOM 287 C CA . TYR A 1 35 ? 1.283 10.907 -12.427 1.00 93.47 35 A 1 ATOM 288 C C . TYR A 1 35 ? 1.599 10.097 -13.680 1.00 93.53 35 A 1 ATOM 289 O O . TYR A 1 35 ? 2.661 9.476 -13.776 1.00 91.77 35 A 1 ATOM 290 C CB . TYR A 1 35 ? 2.093 12.204 -12.381 1.00 92.01 35 A 1 ATOM 291 C CG . TYR A 1 35 ? 1.883 13.077 -13.608 1.00 89.47 35 A 1 ATOM 292 C CD1 . TYR A 1 35 ? 2.852 13.113 -14.630 1.00 83.97 35 A 1 ATOM 293 C CD2 . TYR A 1 35 ? 0.699 13.828 -13.739 1.00 83.94 35 A 1 ATOM 294 C CE1 . TYR A 1 35 ? 2.647 13.913 -15.773 1.00 79.67 35 A 1 ATOM 295 C CE2 . TYR A 1 35 ? 0.490 14.627 -14.882 1.00 80.08 35 A 1 ATOM 296 C CZ . TYR A 1 35 ? 1.466 14.674 -15.898 1.00 80.85 35 A 1 ATOM 297 O OH . TYR A 1 35 ? 1.270 15.454 -16.996 1.00 80.52 35 A 1 ATOM 298 N N . TYR A 1 36 ? 0.694 10.122 -14.639 1.00 92.36 36 A 1 ATOM 299 C CA . TYR A 1 36 ? 0.879 9.527 -15.946 1.00 92.32 36 A 1 ATOM 300 C C . TYR A 1 36 ? 0.398 10.488 -17.031 1.00 92.88 36 A 1 ATOM 301 O O . TYR A 1 36 ? -0.709 11.017 -16.972 1.00 92.29 36 A 1 ATOM 302 C CB . TYR A 1 36 ? 0.151 8.178 -16.014 1.00 91.78 36 A 1 ATOM 303 C CG . TYR A 1 36 ? 0.176 7.546 -17.394 1.00 91.25 36 A 1 ATOM 304 C CD1 . TYR A 1 36 ? -0.940 7.671 -18.245 1.00 87.54 36 A 1 ATOM 305 C CD2 . TYR A 1 36 ? 1.324 6.867 -17.842 1.00 87.49 36 A 1 ATOM 306 C CE1 . TYR A 1 36 ? -0.913 7.109 -19.534 1.00 85.59 36 A 1 ATOM 307 C CE2 . TYR A 1 36 ? 1.359 6.305 -19.132 1.00 85.49 36 A 1 ATOM 308 C CZ . TYR A 1 36 ? 0.237 6.426 -19.980 1.00 86.97 36 A 1 ATOM 309 O OH . TYR A 1 36 ? 0.263 5.886 -21.227 1.00 85.99 36 A 1 ATOM 310 N N . SER A 1 37 ? 1.224 10.660 -18.039 1.00 93.18 37 A 1 ATOM 311 C CA . SER A 1 37 ? 0.845 11.304 -19.291 1.00 93.63 37 A 1 ATOM 312 C C . SER A 1 37 ? 1.304 10.426 -20.448 1.00 94.31 37 A 1 ATOM 313 O O . SER A 1 37 ? 2.458 9.997 -20.498 1.00 92.34 37 A 1 ATOM 314 C CB . SER A 1 37 ? 1.428 12.714 -19.381 1.00 91.78 37 A 1 ATOM 315 O OG . SER A 1 37 ? 0.938 13.350 -20.548 1.00 81.98 37 A 1 ATOM 316 N N . SER A 1 38 ? 0.391 10.114 -21.365 1.00 91.84 38 A 1 ATOM 317 C CA . SER A 1 38 ? 0.732 9.388 -22.589 1.00 92.52 38 A 1 ATOM 318 C C . SER A 1 38 ? 1.690 10.205 -23.462 1.00 92.69 38 A 1 ATOM 319 O O . SER A 1 38 ? 1.687 11.432 -23.414 1.00 91.99 38 A 1 ATOM 320 C CB . SER A 1 38 ? -0.527 9.019 -23.374 1.00 92.48 38 A 1 ATOM 321 O OG . SER A 1 38 ? -1.228 10.178 -23.786 1.00 90.95 38 A 1 ATOM 322 N N . ARG A 1 39 ? 2.451 9.528 -24.335 1.00 90.76 39 A 1 ATOM 323 C CA . ARG A 1 39 ? 3.373 10.204 -25.279 1.00 90.40 39 A 1 ATOM 324 C C . ARG A 1 39 ? 2.675 11.264 -26.149 1.00 90.50 39 A 1 ATOM 325 O O . ARG A 1 39 ? 3.285 12.264 -26.490 1.00 87.09 39 A 1 ATOM 326 C CB . ARG A 1 39 ? 4.077 9.174 -26.188 1.00 90.86 39 A 1 ATOM 327 C CG . ARG A 1 39 ? 5.062 8.237 -25.458 1.00 84.13 39 A 1 ATOM 328 C CD . ARG A 1 39 ? 5.778 7.315 -26.468 1.00 80.15 39 A 1 ATOM 329 N NE . ARG A 1 39 ? 6.724 6.377 -25.821 1.00 71.62 39 A 1 ATOM 330 C CZ . ARG A 1 39 ? 7.443 5.430 -26.424 1.00 64.67 39 A 1 ATOM 331 N NH1 . ARG A 1 39 ? 7.384 5.213 -27.708 1.00 58.35 39 A 1 ATOM 332 N NH2 . ARG A 1 39 ? 8.248 4.654 -25.744 1.00 57.05 39 A 1 ATOM 333 N N . SER A 1 40 ? 1.402 11.043 -26.476 1.00 91.06 40 A 1 ATOM 334 C CA . SER A 1 40 ? 0.578 11.991 -27.242 1.00 90.28 40 A 1 ATOM 335 C C . SER A 1 40 ? -0.019 13.132 -26.403 1.00 89.94 40 A 1 ATOM 336 O O . SER A 1 40 ? -0.725 13.972 -26.954 1.00 86.37 40 A 1 ATOM 337 C CB . SER A 1 40 ? -0.545 11.232 -27.950 1.00 90.34 40 A 1 ATOM 338 O OG . SER A 1 40 ? -1.377 10.578 -27.007 1.00 87.94 40 A 1 ATOM 339 N N . GLY A 1 41 ? 0.162 13.118 -25.070 1.00 88.84 41 A 1 ATOM 340 C CA . GLY A 1 41 ? -0.475 14.059 -24.142 1.00 87.07 41 A 1 ATOM 341 C C . GLY A 1 41 ? -1.985 13.857 -23.955 1.00 88.81 41 A 1 ATOM 342 O O . GLY A 1 41 ? -2.577 14.443 -23.055 1.00 85.83 41 A 1 ATOM 343 N N . MET A 1 42 ? -2.621 12.993 -24.753 1.00 88.81 42 A 1 ATOM 344 C CA . MET A 1 42 ? -4.083 12.834 -24.754 1.00 89.49 42 A 1 ATOM 345 C C . MET A 1 42 ? -4.644 12.047 -23.567 1.00 91.01 42 A 1 ATOM 346 O O . MET A 1 42 ? -5.862 12.040 -23.369 1.00 88.27 42 A 1 ATOM 347 C CB . MET A 1 42 ? -4.536 12.141 -26.040 1.00 87.53 42 A 1 ATOM 348 C CG . MET A 1 42 ? -4.317 12.980 -27.299 1.00 81.96 42 A 1 ATOM 349 S SD . MET A 1 42 ? -5.200 12.311 -28.738 1.00 74.79 42 A 1 ATOM 350 C CE . MET A 1 42 ? -4.246 10.809 -29.063 1.00 63.47 42 A 1 ATOM 351 N N . THR A 1 43 ? -3.798 11.321 -22.836 1.00 93.41 43 A 1 ATOM 352 C CA . THR A 1 43 ? -4.199 10.572 -21.644 1.00 93.49 43 A 1 ATOM 353 C C . THR A 1 43 ? -3.389 11.069 -20.468 1.00 93.63 43 A 1 ATOM 354 O O . THR A 1 43 ? -2.160 11.010 -20.513 1.00 92.14 43 A 1 ATOM 355 C CB . THR A 1 43 ? -4.035 9.065 -21.826 1.00 92.52 43 A 1 ATOM 356 O OG1 . THR A 1 43 ? -4.779 8.655 -22.959 1.00 88.33 43 A 1 ATOM 357 C CG2 . THR A 1 43 ? -4.560 8.269 -20.636 1.00 87.98 43 A 1 ATOM 358 N N . GLN A 1 44 ? -4.084 11.550 -19.454 1.00 94.75 44 A 1 ATOM 359 C CA . GLN A 1 44 ? -3.501 12.066 -18.228 1.00 94.18 44 A 1 ATOM 360 C C . GLN A 1 44 ? -4.262 11.516 -17.029 1.00 95.57 44 A 1 ATOM 361 O O . GLN A 1 44 ? -5.486 11.381 -17.063 1.00 94.37 44 A 1 ATOM 362 C CB . GLN A 1 44 ? -3.512 13.603 -18.226 1.00 90.40 44 A 1 ATOM 363 C CG . GLN A 1 44 ? -2.629 14.193 -19.341 1.00 81.48 44 A 1 ATOM 364 C CD . GLN A 1 44 ? -2.558 15.714 -19.305 1.00 77.93 44 A 1 ATOM 365 O OE1 . GLN A 1 44 ? -3.186 16.384 -18.507 1.00 69.70 44 A 1 ATOM 366 N NE2 . GLN A 1 44 ? -1.785 16.326 -20.173 1.00 65.15 44 A 1 ATOM 367 N N . GLU A 1 45 ? -3.521 11.199 -15.985 1.00 95.98 45 A 1 ATOM 368 C CA . GLU A 1 45 ? -4.058 10.853 -14.674 1.00 95.92 45 A 1 ATOM 369 C C . GLU A 1 45 ? -3.085 11.290 -13.585 1.00 96.54 45 A 1 ATOM 370 O O . GLU A 1 45 ? -1.880 11.424 -13.814 1.00 95.16 45 A 1 ATOM 371 C CB . GLU A 1 45 ? -4.388 9.353 -14.579 1.00 93.13 45 A 1 ATOM 372 C CG . GLU A 1 45 ? -3.176 8.425 -14.738 1.00 83.23 45 A 1 ATOM 373 C CD . GLU A 1 45 ? -3.531 6.931 -14.639 1.00 84.25 45 A 1 ATOM 374 O OE1 . GLU A 1 45 ? -2.586 6.131 -14.450 1.00 74.63 45 A 1 ATOM 375 O OE2 . GLU A 1 45 ? -4.735 6.591 -14.749 1.00 76.07 45 A 1 ATOM 376 N N . GLY A 1 46 ? -3.600 11.536 -12.395 1.00 97.43 46 A 1 ATOM 377 C CA . GLY A 1 46 ? -2.798 11.995 -11.277 1.00 97.57 46 A 1 ATOM 378 C C . GLY A 1 46 ? -3.644 12.318 -10.064 1.00 98.22 46 A 1 ATOM 379 O O . GLY A 1 46 ? -4.821 11.961 -9.982 1.00 98.03 46 A 1 ATOM 380 N N . CYS A 1 47 ? -3.018 12.982 -9.111 1.00 98.34 47 A 1 ATOM 381 C CA . CYS A 1 47 ? -3.707 13.505 -7.948 1.00 98.47 47 A 1 ATOM 382 C C . CYS A 1 47 ? -3.298 14.949 -7.672 1.00 98.49 47 A 1 ATOM 383 O O . CYS A 1 47 ? -2.145 15.334 -7.867 1.00 98.06 47 A 1 ATOM 384 C CB . CYS A 1 47 ? -3.442 12.642 -6.716 1.00 98.32 47 A 1 ATOM 385 S SG . CYS A 1 47 ? -3.896 10.897 -6.823 1.00 97.85 47 A 1 ATOM 386 N N . VAL A 1 48 ? -4.237 15.696 -7.131 1.00 98.50 48 A 1 ATOM 387 C CA . VAL A 1 48 ? -3.999 17.039 -6.609 1.00 98.50 48 A 1 ATOM 388 C C . VAL A 1 48 ? -4.530 17.145 -5.185 1.00 98.59 48 A 1 ATOM 389 O O . VAL A 1 48 ? -5.462 16.445 -4.795 1.00 98.46 48 A 1 ATOM 390 C CB . VAL A 1 48 ? -4.579 18.137 -7.518 1.00 98.24 48 A 1 ATOM 391 C CG1 . VAL A 1 48 ? -3.986 18.062 -8.931 1.00 97.04 48 A 1 ATOM 392 C CG2 . VAL A 1 48 ? -6.110 18.097 -7.624 1.00 96.58 48 A 1 ATOM 393 N N . GLN A 1 49 ? -3.925 18.026 -4.394 1.00 97.86 49 A 1 ATOM 394 C CA . GLN A 1 49 ? -4.531 18.533 -3.169 1.00 97.83 49 A 1 ATOM 395 C C . GLN A 1 49 ? -5.069 19.931 -3.426 1.00 97.71 49 A 1 ATOM 396 O O . GLN A 1 49 ? -4.391 20.744 -4.054 1.00 97.39 49 A 1 ATOM 397 C CB . GLN A 1 49 ? -3.533 18.542 -2.012 1.00 97.56 49 A 1 ATOM 398 C CG . GLN A 1 49 ? -3.360 17.145 -1.408 1.00 91.45 49 A 1 ATOM 399 C CD . GLN A 1 49 ? -2.305 17.100 -0.310 1.00 92.51 49 A 1 ATOM 400 O OE1 . GLN A 1 49 ? -1.475 17.984 -0.125 1.00 83.70 49 A 1 ATOM 401 N NE2 . GLN A 1 49 ? -2.276 16.044 0.466 1.00 81.80 49 A 1 ATOM 402 N N . VAL A 1 50 ? -6.253 20.214 -2.903 1.00 96.81 50 A 1 ATOM 403 C CA . VAL A 1 50 ? -6.919 21.516 -3.032 1.00 96.64 50 A 1 ATOM 404 C C . VAL A 1 50 ? -7.612 21.871 -1.719 1.00 96.37 50 A 1 ATOM 405 O O . VAL A 1 50 ? -8.091 20.994 -1.002 1.00 95.97 50 A 1 ATOM 406 C CB . VAL A 1 50 ? -7.872 21.513 -4.241 1.00 96.37 50 A 1 ATOM 407 C CG1 . VAL A 1 50 ? -8.989 20.472 -4.122 1.00 92.68 50 A 1 ATOM 408 C CG2 . VAL A 1 50 ? -8.482 22.895 -4.495 1.00 92.77 50 A 1 ATOM 409 N N . MET A 1 51 ? -7.623 23.151 -1.359 1.00 94.13 51 A 1 ATOM 410 C CA . MET A 1 51 ? -8.314 23.616 -0.156 1.00 93.66 51 A 1 ATOM 411 C C . MET A 1 51 ? -9.792 23.878 -0.439 1.00 93.48 51 A 1 ATOM 412 O O . MET A 1 51 ? -10.159 24.405 -1.487 1.00 93.21 51 A 1 ATOM 413 C CB . MET A 1 51 ? -7.644 24.861 0.433 1.00 93.59 51 A 1 ATOM 414 C CG . MET A 1 51 ? -6.259 24.544 1.008 1.00 87.83 51 A 1 ATOM 415 S SD . MET A 1 51 ? -5.482 25.952 1.833 1.00 80.28 51 A 1 ATOM 416 C CE . MET A 1 51 ? -3.966 25.167 2.439 1.00 65.99 51 A 1 ATOM 417 N N . GLN A 1 52 ? -10.623 23.563 0.541 1.00 92.55 52 A 1 ATOM 418 C CA . GLN A 1 52 ? -12.013 23.979 0.617 1.00 90.49 52 A 1 ATOM 419 C C . GLN A 1 52 ? -12.112 25.287 1.410 1.00 89.35 52 A 1 ATOM 420 O O . GLN A 1 52 ? -11.529 25.418 2.488 1.00 88.88 52 A 1 ATOM 421 C CB . GLN A 1 52 ? -12.836 22.851 1.255 1.00 88.58 52 A 1 ATOM 422 C CG . GLN A 1 52 ? -14.319 23.207 1.341 1.00 82.35 52 A 1 ATOM 423 C CD . GLN A 1 52 ? -15.152 22.156 2.058 1.00 80.66 52 A 1 ATOM 424 O OE1 . GLN A 1 52 ? -14.706 21.085 2.437 1.00 73.59 52 A 1 ATOM 425 N NE2 . GLN A 1 52 ? -16.414 22.438 2.276 1.00 70.60 52 A 1 ATOM 426 N N . VAL A 1 53 ? -12.864 26.253 0.901 1.00 88.08 53 A 1 ATOM 427 C CA . VAL A 1 53 ? -13.206 27.502 1.594 1.00 87.78 53 A 1 ATOM 428 C C . VAL A 1 53 ? -14.720 27.699 1.520 1.00 87.59 53 A 1 ATOM 429 O O . VAL A 1 53 ? -15.276 27.911 0.444 1.00 85.19 53 A 1 ATOM 430 C CB . VAL A 1 53 ? -12.443 28.709 1.015 1.00 85.73 53 A 1 ATOM 431 C CG1 . VAL A 1 53 ? -12.798 29.997 1.767 1.00 80.66 53 A 1 ATOM 432 C CG2 . VAL A 1 53 ? -10.922 28.516 1.134 1.00 83.61 53 A 1 ATOM 433 N N . GLY A 1 54 ? -15.392 27.632 2.673 1.00 88.52 54 A 1 ATOM 434 C CA . GLY A 1 54 ? -16.853 27.579 2.716 1.00 88.26 54 A 1 ATOM 435 C C . GLY A 1 54 ? -17.365 26.346 1.974 1.00 89.04 54 A 1 ATOM 436 O O . GLY A 1 54 ? -16.928 25.233 2.257 1.00 87.11 54 A 1 ATOM 437 N N . ASP A 1 55 ? -18.246 26.553 1.012 1.00 88.87 55 A 1 ATOM 438 C CA . ASP A 1 55 ? -18.855 25.477 0.225 1.00 89.31 55 A 1 ATOM 439 C C . ASP A 1 55 ? -18.204 25.269 -1.155 1.00 90.53 55 A 1 ATOM 440 O O . ASP A 1 55 ? -18.753 24.558 -1.993 1.00 89.10 55 A 1 ATOM 441 C CB . ASP A 1 55 ? -20.361 25.745 0.112 1.00 87.46 55 A 1 ATOM 442 C CG . ASP A 1 55 ? -21.062 25.687 1.470 1.00 85.16 55 A 1 ATOM 443 O OD1 . ASP A 1 55 ? -20.686 24.826 2.309 1.00 82.90 55 A 1 ATOM 444 O OD2 . ASP A 1 55 ? -22.007 26.479 1.661 1.00 83.38 55 A 1 ATOM 445 N N . ASN A 1 56 ? -17.042 25.884 -1.393 1.00 90.64 56 A 1 ATOM 446 C CA . ASN A 1 56 ? -16.385 25.869 -2.697 1.00 91.30 56 A 1 ATOM 447 C C . ASN A 1 56 ? -14.926 25.408 -2.601 1.00 92.16 56 A 1 ATOM 448 O O . ASN A 1 56 ? -14.278 25.495 -1.553 1.00 91.18 56 A 1 ATOM 449 C CB . ASN A 1 56 ? -16.488 27.271 -3.323 1.00 90.16 56 A 1 ATOM 450 C CG . ASN A 1 56 ? -17.921 27.724 -3.538 1.00 85.88 56 A 1 ATOM 451 O OD1 . ASN A 1 56 ? -18.773 27.010 -4.026 1.00 76.90 56 A 1 ATOM 452 N ND2 . ASN A 1 56 ? -18.252 28.935 -3.161 1.00 76.28 56 A 1 ATOM 453 N N . PHE A 1 57 ? -14.383 24.976 -3.731 1.00 92.72 57 A 1 ATOM 454 C CA . PHE A 1 57 ? -12.955 24.729 -3.885 1.00 92.83 57 A 1 ATOM 455 C C . PHE A 1 57 ? -12.209 26.039 -4.136 1.00 93.09 57 A 1 ATOM 456 O O . PHE A 1 57 ? -12.571 26.816 -5.022 1.00 92.23 57 A 1 ATOM 457 C CB . PHE A 1 57 ? -12.720 23.753 -5.035 1.00 92.63 57 A 1 ATOM 458 C CG . PHE A 1 57 ? -13.168 22.342 -4.728 1.00 92.75 57 A 1 ATOM 459 C CD1 . PHE A 1 57 ? -12.274 21.450 -4.109 1.00 91.37 57 A 1 ATOM 460 C CD2 . PHE A 1 57 ? -14.459 21.913 -5.072 1.00 92.10 57 A 1 ATOM 461 C CE1 . PHE A 1 57 ? -12.664 20.129 -3.854 1.00 91.06 57 A 1 ATOM 462 C CE2 . PHE A 1 57 ? -14.850 20.590 -4.810 1.00 91.45 57 A 1 ATOM 463 C CZ . PHE A 1 57 ? -13.949 19.697 -4.208 1.00 91.31 57 A 1 ATOM 464 N N . LYS A 1 58 ? -11.104 26.244 -3.404 1.00 93.79 58 A 1 ATOM 465 C CA . LYS A 1 58 ? -10.151 27.310 -3.700 1.00 94.19 58 A 1 ATOM 466 C C . LYS A 1 58 ? -9.114 26.791 -4.701 1.00 95.18 58 A 1 ATOM 467 O O . LYS A 1 58 ? -8.007 26.415 -4.316 1.00 95.36 58 A 1 ATOM 468 C CB . LYS A 1 58 ? -9.561 27.858 -2.390 1.00 93.83 58 A 1 ATOM 469 C CG . LYS A 1 58 ? -8.750 29.125 -2.675 1.00 89.56 58 A 1 ATOM 470 C CD . LYS A 1 58 ? -8.198 29.750 -1.388 1.00 84.19 58 A 1 ATOM 471 C CE . LYS A 1 58 ? -7.412 31.003 -1.770 1.00 78.40 58 A 1 ATOM 472 N NZ . LYS A 1 58 ? -6.816 31.672 -0.590 1.00 69.45 58 A 1 ATOM 473 N N . VAL A 1 59 ? -9.472 26.778 -5.986 1.00 96.16 59 A 1 ATOM 474 C CA . VAL A 1 59 ? -8.680 26.156 -7.066 1.00 96.53 59 A 1 ATOM 475 C C . VAL A 1 59 ? -7.258 26.712 -7.202 1.00 96.99 59 A 1 ATOM 476 O O . VAL A 1 59 ? -6.350 25.968 -7.558 1.00 96.09 59 A 1 ATOM 477 C CB . VAL A 1 59 ? -9.416 26.219 -8.420 1.00 95.47 59 A 1 ATOM 478 C CG1 . VAL A 1 59 ? -10.710 25.390 -8.359 1.00 89.58 59 A 1 ATOM 479 C CG2 . VAL A 1 59 ? -9.760 27.650 -8.848 1.00 89.83 59 A 1 ATOM 480 N N . ASP A 1 60 ? -7.012 27.959 -6.804 1.00 96.95 60 A 1 ATOM 481 C CA . ASP A 1 60 ? -5.666 28.562 -6.774 1.00 96.65 60 A 1 ATOM 482 C C . ASP A 1 60 ? -4.717 27.898 -5.766 1.00 97.23 60 A 1 ATOM 483 O O . ASP A 1 60 ? -3.503 28.072 -5.831 1.00 95.96 60 A 1 ATOM 484 C CB . ASP A 1 60 ? -5.770 30.052 -6.421 1.00 95.30 60 A 1 ATOM 485 C CG . ASP A 1 60 ? -6.644 30.849 -7.387 1.00 88.08 60 A 1 ATOM 486 O OD1 . ASP A 1 60 ? -6.655 30.498 -8.584 1.00 81.21 60 A 1 ATOM 487 O OD2 . ASP A 1 60 ? -7.316 31.770 -6.878 1.00 81.53 60 A 1 ATOM 488 N N . THR A 1 61 ? -5.252 27.144 -4.813 1.00 96.39 61 A 1 ATOM 489 C CA . THR A 1 61 ? -4.448 26.370 -3.851 1.00 96.46 61 A 1 ATOM 490 C C . THR A 1 61 ? -4.090 24.979 -4.362 1.00 96.98 61 A 1 ATOM 491 O O . THR A 1 61 ? -3.421 24.219 -3.651 1.00 96.35 61 A 1 ATOM 492 C CB . THR A 1 61 ? -5.135 26.250 -2.485 1.00 96.04 61 A 1 ATOM 493 O OG1 . THR A 1 61 ? -6.298 25.458 -2.544 1.00 94.36 61 A 1 ATOM 494 C CG2 . THR A 1 61 ? -5.515 27.606 -1.900 1.00 93.54 61 A 1 ATOM 495 N N . MET A 1 62 ? -4.567 24.630 -5.556 1.00 97.64 62 A 1 ATOM 496 C CA . MET A 1 62 ? -4.391 23.309 -6.122 1.00 97.48 62 A 1 ATOM 497 C C . MET A 1 62 ? -2.916 23.029 -6.393 1.00 97.49 62 A 1 ATOM 498 O O . MET A 1 62 ? -2.228 23.796 -7.064 1.00 96.31 62 A 1 ATOM 499 C CB . MET A 1 62 ? -5.244 23.179 -7.387 1.00 96.07 62 A 1 ATOM 500 C CG . MET A 1 62 ? -5.350 21.723 -7.828 1.00 88.64 62 A 1 ATOM 501 S SD . MET A 1 62 ? -6.433 21.472 -9.252 1.00 89.24 62 A 1 ATOM 502 C CE . MET A 1 62 ? -5.332 22.064 -10.546 1.00 78.91 62 A 1 ATOM 503 N N . ARG A 1 63 ? -2.429 21.894 -5.876 1.00 97.60 63 A 1 ATOM 504 C CA . ARG A 1 63 ? -1.062 21.422 -6.090 1.00 97.37 63 A 1 ATOM 505 C C . ARG A 1 63 ? -1.063 19.945 -6.458 1.00 97.84 63 A 1 ATOM 506 O O . ARG A 1 63 ? -1.772 19.155 -5.834 1.00 97.15 63 A 1 ATOM 507 C CB . ARG A 1 63 ? -0.191 21.721 -4.863 1.00 95.79 63 A 1 ATOM 508 C CG . ARG A 1 63 ? -0.631 20.963 -3.596 1.00 81.69 63 A 1 ATOM 509 C CD . ARG A 1 63 ? 0.249 21.327 -2.404 1.00 81.04 63 A 1 ATOM 510 N NE . ARG A 1 63 ? -0.109 20.536 -1.208 1.00 67.70 63 A 1 ATOM 511 C CZ . ARG A 1 63 ? 0.473 20.590 -0.022 1.00 58.47 63 A 1 ATOM 512 N NH1 . ARG A 1 63 ? 1.442 21.424 0.232 1.00 53.33 63 A 1 ATOM 513 N NH2 . ARG A 1 63 ? 0.088 19.799 0.931 1.00 47.25 63 A 1 ATOM 514 N N . GLU A 1 64 ? -0.234 19.582 -7.426 1.00 97.74 64 A 1 ATOM 515 C CA . GLU A 1 64 ? -0.011 18.177 -7.753 1.00 97.45 64 A 1 ATOM 516 C C . GLU A 1 64 ? 0.664 17.448 -6.591 1.00 97.62 64 A 1 ATOM 517 O O . GLU A 1 64 ? 1.531 17.988 -5.892 1.00 96.83 64 A 1 ATOM 518 C CB . GLU A 1 64 ? 0.812 18.028 -9.031 1.00 96.39 64 A 1 ATOM 519 C CG . GLU A 1 64 ? 0.040 18.521 -10.264 1.00 88.03 64 A 1 ATOM 520 C CD . GLU A 1 64 ? 0.767 18.219 -11.582 1.00 82.70 64 A 1 ATOM 521 O OE1 . GLU A 1 64 ? 0.192 18.586 -12.631 1.00 72.97 64 A 1 ATOM 522 O OE2 . GLU A 1 64 ? 1.864 17.619 -11.535 1.00 73.29 64 A 1 ATOM 523 N N . VAL A 1 65 ? 0.239 16.211 -6.368 1.00 97.62 65 A 1 ATOM 524 C CA . VAL A 1 65 ? 0.785 15.348 -5.321 1.00 97.72 65 A 1 ATOM 525 C C . VAL A 1 65 ? 0.998 13.935 -5.849 1.00 97.65 65 A 1 ATOM 526 O O . VAL A 1 65 ? 0.222 13.411 -6.643 1.00 97.14 65 A 1 ATOM 527 C CB . VAL A 1 65 ? -0.079 15.337 -4.049 1.00 97.64 65 A 1 ATOM 528 C CG1 . VAL A 1 65 ? -0.105 16.718 -3.382 1.00 96.53 65 A 1 ATOM 529 C CG2 . VAL A 1 65 ? -1.515 14.866 -4.272 1.00 96.18 65 A 1 ATOM 530 N N . HIS A 1 66 ? 2.048 13.310 -5.354 1.00 97.43 66 A 1 ATOM 531 C CA . HIS A 1 66 ? 2.439 11.954 -5.727 1.00 96.86 66 A 1 ATOM 532 C C . HIS A 1 66 ? 2.554 11.062 -4.490 1.00 97.02 66 A 1 ATOM 533 O O . HIS A 1 66 ? 2.576 11.534 -3.348 1.00 95.20 66 A 1 ATOM 534 C CB . HIS A 1 66 ? 3.750 11.996 -6.523 1.00 95.42 66 A 1 ATOM 535 C CG . HIS A 1 66 ? 3.747 12.993 -7.659 1.00 92.64 66 A 1 ATOM 536 N ND1 . HIS A 1 66 ? 2.883 13.051 -8.730 1.00 79.41 66 A 1 ATOM 537 C CD2 . HIS A 1 66 ? 4.601 14.054 -7.770 1.00 79.07 66 A 1 ATOM 538 C CE1 . HIS A 1 66 ? 3.210 14.131 -9.467 1.00 79.54 66 A 1 ATOM 539 N NE2 . HIS A 1 66 ? 4.255 14.767 -8.918 1.00 82.37 66 A 1 ATOM 540 N N . GLY A 1 67 ? 2.670 9.760 -4.731 1.00 96.65 67 A 1 ATOM 541 C CA . GLY A 1 67 ? 2.827 8.744 -3.697 1.00 96.52 67 A 1 ATOM 542 C C . GLY A 1 67 ? 1.613 7.828 -3.600 1.00 97.34 67 A 1 ATOM 543 O O . GLY A 1 67 ? 0.909 7.603 -4.582 1.00 96.57 67 A 1 ATOM 544 N N . ILE A 1 68 ? 1.415 7.267 -2.418 1.00 98.08 68 A 1 ATOM 545 C CA . ILE A 1 68 ? 0.273 6.423 -2.073 1.00 98.35 68 A 1 ATOM 546 C C . ILE A 1 68 ? -0.412 6.996 -0.834 1.00 98.45 68 A 1 ATOM 547 O O . ILE A 1 68 ? 0.256 7.513 0.065 1.00 98.22 68 A 1 ATOM 548 C CB . ILE A 1 68 ? 0.713 4.947 -1.929 1.00 98.22 68 A 1 ATOM 549 C CG1 . ILE A 1 68 ? -0.511 4.019 -1.766 1.00 97.42 68 A 1 ATOM 550 C CG2 . ILE A 1 68 ? 1.736 4.758 -0.789 1.00 97.14 68 A 1 ATOM 551 C CD1 . ILE A 1 68 ? -0.164 2.534 -1.906 1.00 96.32 68 A 1 ATOM 552 N N . TYR A 1 69 ? -1.733 6.935 -0.813 1.00 98.57 69 A 1 ATOM 553 C CA . TYR A 1 69 ? -2.555 7.476 0.263 1.00 98.64 69 A 1 ATOM 554 C C . TYR A 1 69 ? -3.524 6.406 0.749 1.00 98.59 69 A 1 ATOM 555 O O . TYR A 1 69 ? -4.202 5.785 -0.062 1.00 98.31 69 A 1 ATOM 556 C CB . TYR A 1 69 ? -3.306 8.720 -0.228 1.00 98.64 69 A 1 ATOM 557 C CG . TYR A 1 69 ? -2.404 9.894 -0.577 1.00 98.63 69 A 1 ATOM 558 C CD1 . TYR A 1 69 ? -2.203 10.926 0.358 1.00 98.19 69 A 1 ATOM 559 C CD2 . TYR A 1 69 ? -1.756 9.950 -1.829 1.00 98.20 69 A 1 ATOM 560 C CE1 . TYR A 1 69 ? -1.360 12.009 0.051 1.00 97.93 69 A 1 ATOM 561 C CE2 . TYR A 1 69 ? -0.903 11.027 -2.137 1.00 97.98 69 A 1 ATOM 562 C CZ . TYR A 1 69 ? -0.706 12.059 -1.195 1.00 98.07 69 A 1 ATOM 563 O OH . TYR A 1 69 ? 0.121 13.097 -1.481 1.00 97.35 69 A 1 ATOM 564 N N . PHE A 1 70 ? -3.592 6.200 2.063 1.00 98.20 70 A 1 ATOM 565 C CA . PHE A 1 70 ? -4.651 5.408 2.679 1.00 98.12 70 A 1 ATOM 566 C C . PHE A 1 70 ? -5.911 6.265 2.782 1.00 98.19 70 A 1 ATOM 567 O O . PHE A 1 70 ? -5.845 7.395 3.271 1.00 98.03 70 A 1 ATOM 568 C CB . PHE A 1 70 ? -4.183 4.913 4.054 1.00 97.88 70 A 1 ATOM 569 C CG . PHE A 1 70 ? -5.235 4.146 4.830 1.00 97.62 70 A 1 ATOM 570 C CD1 . PHE A 1 70 ? -5.641 4.591 6.106 1.00 96.46 70 A 1 ATOM 571 C CD2 . PHE A 1 70 ? -5.824 2.994 4.281 1.00 96.57 70 A 1 ATOM 572 C CE1 . PHE A 1 70 ? -6.617 3.885 6.826 1.00 95.62 70 A 1 ATOM 573 C CE2 . PHE A 1 70 ? -6.808 2.292 4.995 1.00 95.54 70 A 1 ATOM 574 C CZ . PHE A 1 70 ? -7.202 2.734 6.269 1.00 95.47 70 A 1 ATOM 575 N N . THR A 1 71 ? -7.024 5.733 2.315 1.00 97.37 71 A 1 ATOM 576 C CA . THR A 1 71 ? -8.335 6.385 2.312 1.00 97.29 71 A 1 ATOM 577 C C . THR A 1 71 ? -9.327 5.473 3.031 1.00 96.65 71 A 1 ATOM 578 O O . THR A 1 71 ? -9.912 4.594 2.399 1.00 95.73 71 A 1 ATOM 579 C CB . THR A 1 71 ? -8.805 6.701 0.880 1.00 97.34 71 A 1 ATOM 580 O OG1 . THR A 1 71 ? -8.718 5.566 0.043 1.00 95.99 71 A 1 ATOM 581 C CG2 . THR A 1 71 ? -7.954 7.803 0.246 1.00 95.69 71 A 1 ATOM 582 N N . PRO A 1 72 ? -9.504 5.625 4.363 1.00 95.99 72 A 1 ATOM 583 C CA . PRO A 1 72 ? -10.309 4.696 5.165 1.00 94.90 72 A 1 ATOM 584 C C . PRO A 1 72 ? -11.793 4.660 4.778 1.00 94.36 72 A 1 ATOM 585 O O . PRO A 1 72 ? -12.508 3.733 5.149 1.00 92.61 72 A 1 ATOM 586 C CB . PRO A 1 72 ? -10.127 5.161 6.613 1.00 94.32 72 A 1 ATOM 587 C CG . PRO A 1 72 ? -9.785 6.646 6.482 1.00 93.95 72 A 1 ATOM 588 C CD . PRO A 1 72 ? -8.965 6.690 5.198 1.00 95.33 72 A 1 ATOM 589 N N . HIS A 1 73 ? -12.247 5.659 4.035 1.00 93.92 73 A 1 ATOM 590 C CA . HIS A 1 73 ? -13.615 5.787 3.546 1.00 93.61 73 A 1 ATOM 591 C C . HIS A 1 73 ? -13.632 5.971 2.027 1.00 94.56 73 A 1 ATOM 592 O O . HIS A 1 73 ? -12.645 6.399 1.420 1.00 94.03 73 A 1 ATOM 593 C CB . HIS A 1 73 ? -14.304 6.945 4.282 1.00 91.98 73 A 1 ATOM 594 C CG . HIS A 1 73 ? -14.279 6.779 5.783 1.00 89.23 73 A 1 ATOM 595 N ND1 . HIS A 1 73 ? -14.833 5.740 6.494 1.00 79.02 73 A 1 ATOM 596 C CD2 . HIS A 1 73 ? -13.642 7.586 6.690 1.00 78.10 73 A 1 ATOM 597 C CE1 . HIS A 1 73 ? -14.535 5.917 7.795 1.00 78.28 73 A 1 ATOM 598 N NE2 . HIS A 1 73 ? -13.814 7.030 7.961 1.00 80.15 73 A 1 ATOM 599 N N . ALA A 1 74 ? -14.778 5.648 1.417 1.00 94.23 74 A 1 ATOM 600 C CA . ALA A 1 74 ? -15.019 5.932 0.008 1.00 94.44 74 A 1 ATOM 601 C C . ALA A 1 74 ? -14.932 7.444 -0.272 1.00 94.96 74 A 1 ATOM 602 O O . ALA A 1 74 ? -15.066 8.271 0.632 1.00 94.53 74 A 1 ATOM 603 C CB . ALA A 1 74 ? -16.386 5.354 -0.383 1.00 93.76 74 A 1 ATOM 604 N N . SER A 1 75 ? -14.733 7.803 -1.540 1.00 95.16 75 A 1 ATOM 605 C CA . SER A 1 75 ? -14.741 9.199 -1.977 1.00 95.41 75 A 1 ATOM 606 C C . SER A 1 75 ? -16.063 9.881 -1.604 1.00 95.04 75 A 1 ATOM 607 O O . SER A 1 75 ? -17.134 9.317 -1.832 1.00 94.39 75 A 1 ATOM 608 C CB . SER A 1 75 ? -14.516 9.279 -3.491 1.00 95.60 75 A 1 ATOM 609 O OG . SER A 1 75 ? -15.489 8.510 -4.175 1.00 93.63 75 A 1 ATOM 610 N N . ILE A 1 76 ? -15.999 11.111 -1.100 1.00 94.48 76 A 1 ATOM 611 C CA . ILE A 1 76 ? -17.191 11.918 -0.782 1.00 93.68 76 A 1 ATOM 612 C C . ILE A 1 76 ? -17.926 12.392 -2.041 1.00 93.84 76 A 1 ATOM 613 O O . ILE A 1 76 ? -19.129 12.621 -2.009 1.00 93.21 76 A 1 ATOM 614 C CB . ILE A 1 76 ? -16.833 13.110 0.137 1.00 92.48 76 A 1 ATOM 615 C CG1 . ILE A 1 76 ? -15.744 14.029 -0.468 1.00 88.07 76 A 1 ATOM 616 C CG2 . ILE A 1 76 ? -16.418 12.578 1.523 1.00 87.30 76 A 1 ATOM 617 C CD1 . ILE A 1 76 ? -15.562 15.359 0.270 1.00 85.15 76 A 1 ATOM 618 N N . ILE A 1 77 ? -17.202 12.527 -3.147 1.00 95.08 77 A 1 ATOM 619 C CA . ILE A 1 77 ? -17.747 12.816 -4.477 1.00 95.35 77 A 1 ATOM 620 C C . ILE A 1 77 ? -17.005 11.946 -5.488 1.00 96.11 77 A 1 ATOM 621 O O . ILE A 1 77 ? -15.774 11.888 -5.479 1.00 96.20 77 A 1 ATOM 622 C CB . ILE A 1 77 ? -17.638 14.323 -4.835 1.00 94.60 77 A 1 ATOM 623 C CG1 . ILE A 1 77 ? -18.455 15.197 -3.859 1.00 93.01 77 A 1 ATOM 624 C CG2 . ILE A 1 77 ? -18.084 14.585 -6.290 1.00 93.04 77 A 1 ATOM 625 C CD1 . ILE A 1 77 ? -18.280 16.709 -4.056 1.00 89.49 77 A 1 ATOM 626 N N . SER A 1 78 ? -17.758 11.324 -6.392 1.00 96.79 78 A 1 ATOM 627 C CA . SER A 1 78 ? -17.232 10.619 -7.558 1.00 96.83 78 A 1 ATOM 628 C C . SER A 1 78 ? -17.964 11.087 -8.811 1.00 96.87 78 A 1 ATOM 629 O O . SER A 1 78 ? -19.193 11.058 -8.867 1.00 96.36 78 A 1 ATOM 630 C CB . SER A 1 78 ? -17.357 9.106 -7.361 1.00 96.34 78 A 1 ATOM 631 O OG . SER A 1 78 ? -16.722 8.420 -8.419 1.00 78.46 78 A 1 ATOM 632 N N . LEU A 1 79 ? -17.211 11.535 -9.808 1.00 97.74 79 A 1 ATOM 633 C CA . LEU A 1 79 ? -17.715 11.925 -11.122 1.00 97.81 79 A 1 ATOM 634 C C . LEU A 1 79 ? -17.163 10.960 -12.168 1.00 98.13 79 A 1 ATOM 635 O O . LEU A 1 79 ? -15.961 10.690 -12.193 1.00 97.83 79 A 1 ATOM 636 C CB . LEU A 1 79 ? -17.323 13.376 -11.455 1.00 97.31 79 A 1 ATOM 637 C CG . LEU A 1 79 ? -17.764 14.439 -10.434 1.00 95.10 79 A 1 ATOM 638 C CD1 . LEU A 1 79 ? -17.257 15.811 -10.880 1.00 91.38 79 A 1 ATOM 639 C CD2 . LEU A 1 79 ? -19.284 14.515 -10.293 1.00 91.35 79 A 1 ATOM 640 N N . ILE A 1 80 ? -18.040 10.464 -13.031 1.00 98.01 80 A 1 ATOM 641 C CA . ILE A 1 80 ? -17.691 9.533 -14.103 1.00 98.00 80 A 1 ATOM 642 C C . ILE A 1 80 ? -18.216 10.090 -15.427 1.00 98.12 80 A 1 ATOM 643 O O . ILE A 1 80 ? -19.412 10.333 -15.586 1.00 97.66 80 A 1 ATOM 644 C CB . ILE A 1 80 ? -18.227 8.107 -13.821 1.00 97.53 80 A 1 ATOM 645 C CG1 . ILE A 1 80 ? -17.740 7.581 -12.446 1.00 93.81 80 A 1 ATOM 646 C CG2 . ILE A 1 80 ? -17.798 7.156 -14.957 1.00 94.41 80 A 1 ATOM 647 C CD1 . ILE A 1 80 ? -18.313 6.215 -12.046 1.00 86.56 80 A 1 ATOM 648 N N . TYR A 1 81 ? -17.317 10.239 -16.388 1.00 97.85 81 A 1 ATOM 649 C CA . TYR A 1 81 ? -17.617 10.703 -17.734 1.00 97.76 81 A 1 ATOM 650 C C . TYR A 1 81 ? -17.596 9.531 -18.719 1.00 97.80 81 A 1 ATOM 651 O O . TYR A 1 81 ? -16.693 8.695 -18.704 1.00 97.01 81 A 1 ATOM 652 C CB . TYR A 1 81 ? -16.623 11.801 -18.132 1.00 97.28 81 A 1 ATOM 653 C CG . TYR A 1 81 ? -16.655 13.023 -17.227 1.00 96.93 81 A 1 ATOM 654 C CD1 . TYR A 1 81 ? -17.538 14.085 -17.504 1.00 94.53 81 A 1 ATOM 655 C CD2 . TYR A 1 81 ? -15.810 13.094 -16.100 1.00 94.83 81 A 1 ATOM 656 C CE1 . TYR A 1 81 ? -17.579 15.213 -16.661 1.00 93.06 81 A 1 ATOM 657 C CE2 . TYR A 1 81 ? -15.854 14.220 -15.251 1.00 93.42 81 A 1 ATOM 658 C CZ . TYR A 1 81 ? -16.739 15.281 -15.534 1.00 93.71 81 A 1 ATOM 659 O OH . TYR A 1 81 ? -16.783 16.368 -14.719 1.00 91.81 81 A 1 ATOM 660 N N . ARG A 1 82 ? -18.576 9.485 -19.624 1.00 97.46 82 A 1 ATOM 661 C CA . ARG A 1 82 ? -18.609 8.484 -20.712 1.00 97.54 82 A 1 ATOM 662 C C . ARG A 1 82 ? -17.569 8.753 -21.809 1.00 97.47 82 A 1 ATOM 663 O O . ARG A 1 82 ? -17.249 7.862 -22.587 1.00 96.16 82 A 1 ATOM 664 C CB . ARG A 1 82 ? -20.019 8.409 -21.324 1.00 97.25 82 A 1 ATOM 665 C CG . ARG A 1 82 ? -21.054 7.840 -20.342 1.00 91.40 82 A 1 ATOM 666 C CD . ARG A 1 82 ? -22.409 7.702 -21.042 1.00 90.68 82 A 1 ATOM 667 N NE . ARG A 1 82 ? -23.434 7.130 -20.142 1.00 80.95 82 A 1 ATOM 668 C CZ . ARG A 1 82 ? -24.690 6.869 -20.461 1.00 76.19 82 A 1 ATOM 669 N NH1 . ARG A 1 82 ? -25.168 7.107 -21.653 1.00 68.84 82 A 1 ATOM 670 N NH2 . ARG A 1 82 ? -25.500 6.360 -19.579 1.00 65.41 82 A 1 ATOM 671 N N . GLN A 1 83 ? -17.066 9.972 -21.879 1.00 96.86 83 A 1 ATOM 672 C CA . GLN A 1 83 ? -16.035 10.428 -22.806 1.00 96.49 83 A 1 ATOM 673 C C . GLN A 1 83 ? -14.958 11.202 -22.042 1.00 96.96 83 A 1 ATOM 674 O O . GLN A 1 83 ? -15.157 11.544 -20.878 1.00 95.86 83 A 1 ATOM 675 C CB . GLN A 1 83 ? -16.680 11.267 -23.923 1.00 94.68 83 A 1 ATOM 676 C CG . GLN A 1 83 ? -17.353 12.563 -23.439 1.00 84.74 83 A 1 ATOM 677 C CD . GLN A 1 83 ? -18.056 13.322 -24.566 1.00 82.08 83 A 1 ATOM 678 O OE1 . GLN A 1 83 ? -18.140 12.880 -25.699 1.00 72.73 83 A 1 ATOM 679 N NE2 . GLN A 1 83 ? -18.605 14.484 -24.306 1.00 69.59 83 A 1 ATOM 680 N N . LYS A 1 84 ? -13.818 11.493 -22.673 1.00 96.40 84 A 1 ATOM 681 C CA . LYS A 1 84 ? -12.738 12.276 -22.052 1.00 95.87 84 A 1 ATOM 682 C C . LYS A 1 84 ? -13.225 13.695 -21.724 1.00 95.90 84 A 1 ATOM 683 O O . LYS A 1 84 ? -13.244 14.552 -22.608 1.00 94.18 84 A 1 ATOM 684 C CB . LYS A 1 84 ? -11.499 12.316 -22.962 1.00 94.56 84 A 1 ATOM 685 C CG . LYS A 1 84 ? -10.833 10.944 -23.131 1.00 91.37 84 A 1 ATOM 686 C CD . LYS A 1 84 ? -9.518 11.080 -23.917 1.00 89.60 84 A 1 ATOM 687 C CE . LYS A 1 84 ? -8.816 9.721 -24.012 1.00 84.48 84 A 1 ATOM 688 N NZ . LYS A 1 84 ? -7.438 9.858 -24.548 1.00 77.93 84 A 1 ATOM 689 N N . GLY A 1 85 ? -13.620 13.910 -20.467 1.00 95.45 85 A 1 ATOM 690 C CA . GLY A 1 85 ? -14.056 15.206 -19.936 1.00 94.67 85 A 1 ATOM 691 C C . GLY A 1 85 ? -12.916 16.049 -19.365 1.00 95.39 85 A 1 ATOM 692 O O . GLY A 1 85 ? -13.038 17.264 -19.299 1.00 93.53 85 A 1 ATOM 693 N N . ILE A 1 86 ? -11.805 15.410 -18.989 1.00 96.21 86 A 1 ATOM 694 C CA . ILE A 1 86 ? -10.633 16.064 -18.398 1.00 96.37 86 A 1 ATOM 695 C C . ILE A 1 86 ? -9.443 15.806 -19.322 1.00 96.14 86 A 1 ATOM 696 O O . ILE A 1 86 ? -8.982 14.667 -19.442 1.00 95.22 86 A 1 ATOM 697 C CB . ILE A 1 86 ? -10.372 15.532 -16.974 1.00 96.48 86 A 1 ATOM 698 C CG1 . ILE A 1 86 ? -11.613 15.662 -16.061 1.00 95.31 86 A 1 ATOM 699 C CG2 . ILE A 1 86 ? -9.175 16.255 -16.332 1.00 95.15 86 A 1 ATOM 700 C CD1 . ILE A 1 86 ? -11.623 14.586 -14.978 1.00 91.16 86 A 1 ATOM 701 N N . ARG A 1 87 ? -8.970 16.837 -20.005 1.00 95.22 87 A 1 ATOM 702 C CA . ARG A 1 87 ? -7.841 16.759 -20.946 1.00 93.99 87 A 1 ATOM 703 C C . ARG A 1 87 ? -6.631 17.559 -20.480 1.00 93.81 87 A 1 ATOM 704 O O . ARG A 1 87 ? -5.528 17.328 -20.961 1.00 91.58 87 A 1 ATOM 705 C CB . ARG A 1 87 ? -8.289 17.225 -22.329 1.00 93.56 87 A 1 ATOM 706 C CG . ARG A 1 87 ? -9.442 16.380 -22.885 1.00 92.01 87 A 1 ATOM 707 C CD . ARG A 1 87 ? -9.824 16.894 -24.269 1.00 88.72 87 A 1 ATOM 708 N NE . ARG A 1 87 ? -10.956 16.132 -24.825 1.00 83.48 87 A 1 ATOM 709 C CZ . ARG A 1 87 ? -11.486 16.301 -26.023 1.00 77.07 87 A 1 ATOM 710 N NH1 . ARG A 1 87 ? -11.021 17.183 -26.859 1.00 71.31 87 A 1 ATOM 711 N NH2 . ARG A 1 87 ? -12.507 15.581 -26.397 1.00 70.68 87 A 1 ATOM 712 N N . SER A 1 88 ? -6.844 18.456 -19.525 1.00 94.20 88 A 1 ATOM 713 C CA . SER A 1 88 ? -5.811 19.293 -18.925 1.00 94.14 88 A 1 ATOM 714 C C . SER A 1 88 ? -6.072 19.511 -17.437 1.00 94.95 88 A 1 ATOM 715 O O . SER A 1 88 ? -7.143 19.207 -16.914 1.00 94.72 88 A 1 ATOM 716 C CB . SER A 1 88 ? -5.762 20.636 -19.667 1.00 93.41 88 A 1 ATOM 717 O OG . SER A 1 88 ? -6.878 21.423 -19.317 1.00 92.22 88 A 1 ATOM 718 N N . ILE A 1 89 ? -5.079 20.057 -16.748 1.00 94.54 89 A 1 ATOM 719 C CA . ILE A 1 89 ? -5.243 20.469 -15.352 1.00 94.90 89 A 1 ATOM 720 C C . ILE A 1 89 ? -6.204 21.663 -15.220 1.00 95.91 89 A 1 ATOM 721 O O . ILE A 1 89 ? -6.830 21.827 -14.174 1.00 95.85 89 A 1 ATOM 722 C CB . ILE A 1 89 ? -3.848 20.750 -14.737 1.00 93.75 89 A 1 ATOM 723 C CG1 . ILE A 1 89 ? -3.866 20.716 -13.195 1.00 88.33 89 A 1 ATOM 724 C CG2 . ILE A 1 89 ? -3.251 22.086 -15.223 1.00 88.51 89 A 1 ATOM 725 C CD1 . ILE A 1 89 ? -4.168 19.325 -12.616 1.00 79.26 89 A 1 ATOM 726 N N . ASP A 1 90 ? -6.351 22.470 -16.269 1.00 94.97 90 A 1 ATOM 727 C CA . ASP A 1 90 ? -7.274 23.606 -16.273 1.00 95.30 90 A 1 ATOM 728 C C . ASP A 1 90 ? -8.726 23.142 -16.419 1.00 96.27 90 A 1 ATOM 729 O O . ASP A 1 90 ? -9.579 23.641 -15.688 1.00 96.17 90 A 1 ATOM 730 C CB . ASP A 1 90 ? -6.845 24.634 -17.328 1.00 94.67 90 A 1 ATOM 731 C CG . ASP A 1 90 ? -5.477 25.259 -17.006 1.00 92.10 90 A 1 ATOM 732 O OD1 . ASP A 1 90 ? -5.176 25.495 -15.797 1.00 88.63 90 A 1 ATOM 733 O OD2 . ASP A 1 90 ? -4.709 25.463 -17.969 1.00 88.11 90 A 1 ATOM 734 N N . ASP A 1 91 ? -8.991 22.081 -17.202 1.00 96.30 91 A 1 ATOM 735 C CA . ASP A 1 91 ? -10.307 21.421 -17.211 1.00 96.48 91 A 1 ATOM 736 C C . ASP A 1 91 ? -10.674 20.933 -15.799 1.00 97.32 91 A 1 ATOM 737 O O . ASP A 1 91 ? -11.808 21.090 -15.340 1.00 97.19 91 A 1 ATOM 738 C CB . ASP A 1 91 ? -10.323 20.187 -18.132 1.00 95.79 91 A 1 ATOM 739 C CG . ASP A 1 91 ? -9.961 20.386 -19.606 1.00 94.64 91 A 1 ATOM 740 O OD1 . ASP A 1 91 ? -9.943 21.519 -20.120 1.00 92.25 91 A 1 ATOM 741 O OD2 . ASP A 1 91 ? -9.617 19.347 -20.222 1.00 91.78 91 A 1 ATOM 742 N N . LEU A 1 92 ? -9.705 20.345 -15.072 1.00 96.78 92 A 1 ATOM 743 C CA . LEU A 1 92 ? -9.926 19.902 -13.697 1.00 97.27 92 A 1 ATOM 744 C C . LEU A 1 92 ? -10.250 21.083 -12.774 1.00 97.54 92 A 1 ATOM 745 O O . LEU A 1 92 ? -11.165 20.978 -11.958 1.00 97.55 92 A 1 ATOM 746 C CB . LEU A 1 92 ? -8.705 19.105 -13.200 1.00 97.44 92 A 1 ATOM 747 C CG . LEU A 1 92 ? -8.844 18.582 -11.755 1.00 97.14 92 A 1 ATOM 748 C CD1 . LEU A 1 92 ? -9.981 17.572 -11.603 1.00 96.33 92 A 1 ATOM 749 C CD2 . LEU A 1 92 ? -7.546 17.900 -11.321 1.00 96.28 92 A 1 ATOM 750 N N . LYS A 1 93 ? -9.532 22.206 -12.894 1.00 97.54 93 A 1 ATOM 751 C CA . LYS A 1 93 ? -9.821 23.427 -12.121 1.00 97.55 93 A 1 ATOM 752 C C . LYS A 1 93 ? -11.220 23.963 -12.407 1.00 97.64 93 A 1 ATOM 753 O O . LYS A 1 93 ? -11.917 24.323 -11.460 1.00 97.35 93 A 1 ATOM 754 C CB . LYS A 1 93 ? -8.810 24.535 -12.437 1.00 97.23 93 A 1 ATOM 755 C CG . LYS A 1 93 ? -7.413 24.308 -11.849 1.00 94.38 93 A 1 ATOM 756 C CD . LYS A 1 93 ? -6.506 25.441 -12.336 1.00 92.64 93 A 1 ATOM 757 C CE . LYS A 1 93 ? -5.034 25.196 -12.025 1.00 88.03 93 A 1 ATOM 758 N NZ . LYS A 1 93 ? -4.205 26.013 -12.955 1.00 80.45 93 A 1 ATOM 759 N N . GLU A 1 94 ? -11.622 24.013 -13.671 1.00 97.74 94 A 1 ATOM 760 C CA . GLU A 1 94 ? -12.949 24.477 -14.076 1.00 97.57 94 A 1 ATOM 761 C C . GLU A 1 94 ? -14.046 23.602 -13.457 1.00 97.65 94 A 1 ATOM 762 O O . GLU A 1 94 ? -14.962 24.114 -12.805 1.00 96.81 94 A 1 ATOM 763 C CB . GLU A 1 94 ? -13.037 24.496 -15.611 1.00 97.01 94 A 1 ATOM 764 C CG . GLU A 1 94 ? -14.364 25.099 -16.104 1.00 85.21 94 A 1 ATOM 765 C CD . GLU A 1 94 ? -14.509 25.124 -17.635 1.00 82.00 94 A 1 ATOM 766 O OE1 . GLU A 1 94 ? -15.642 25.410 -18.089 1.00 72.03 94 A 1 ATOM 767 O OE2 . GLU A 1 94 ? -13.511 24.867 -18.340 1.00 74.10 94 A 1 ATOM 768 N N . ILE A 1 95 ? -13.895 22.277 -13.568 1.00 97.67 95 A 1 ATOM 769 C CA . ILE A 1 95 ? -14.844 21.328 -12.979 1.00 97.60 95 A 1 ATOM 770 C C . ILE A 1 95 ? -14.908 21.517 -11.461 1.00 97.51 95 A 1 ATOM 771 O O . ILE A 1 95 ? -15.994 21.716 -10.923 1.00 97.04 95 A 1 ATOM 772 C CB . ILE A 1 95 ? -14.489 19.877 -13.368 1.00 97.69 95 A 1 ATOM 773 C CG1 . ILE A 1 95 ? -14.665 19.660 -14.889 1.00 97.15 95 A 1 ATOM 774 C CG2 . ILE A 1 95 ? -15.378 18.877 -12.604 1.00 97.01 95 A 1 ATOM 775 C CD1 . ILE A 1 95 ? -13.933 18.419 -15.416 1.00 95.33 95 A 1 ATOM 776 N N . LEU A 1 96 ? -13.770 21.504 -10.754 1.00 97.19 96 A 1 ATOM 777 C CA . LEU A 1 96 ? -13.733 21.679 -9.302 1.00 96.78 96 A 1 ATOM 778 C C . LEU A 1 96 ? -14.314 23.035 -8.879 1.00 96.44 96 A 1 ATOM 779 O O . LEU A 1 96 ? -15.089 23.089 -7.930 1.00 95.99 96 A 1 ATOM 780 C CB . LEU A 1 96 ? -12.297 21.508 -8.778 1.00 96.74 96 A 1 ATOM 781 C CG . LEU A 1 96 ? -11.726 20.077 -8.869 1.00 96.20 96 A 1 ATOM 782 C CD1 . LEU A 1 96 ? -10.287 20.077 -8.342 1.00 95.20 96 A 1 ATOM 783 C CD2 . LEU A 1 96 ? -12.525 19.057 -8.064 1.00 95.02 96 A 1 ATOM 784 N N . GLY A 1 97 ? -14.002 24.117 -9.598 1.00 96.75 97 A 1 ATOM 785 C CA . GLY A 1 97 ? -14.534 25.455 -9.329 1.00 96.29 97 A 1 ATOM 786 C C . GLY A 1 97 ? -16.056 25.558 -9.464 1.00 96.16 97 A 1 ATOM 787 O O . GLY A 1 97 ? -16.672 26.386 -8.794 1.00 94.74 97 A 1 ATOM 788 N N . SER A 1 98 ? -16.667 24.689 -10.273 1.00 96.67 98 A 1 ATOM 789 C CA . SER A 1 98 ? -18.124 24.619 -10.449 1.00 96.04 98 A 1 ATOM 790 C C . SER A 1 98 ? -18.851 23.768 -9.397 1.00 95.67 98 A 1 ATOM 791 O O . SER A 1 98 ? -20.071 23.851 -9.270 1.00 93.86 98 A 1 ATOM 792 C CB . SER A 1 98 ? -18.443 24.128 -11.864 1.00 95.56 98 A 1 ATOM 793 O OG . SER A 1 98 ? -18.255 22.730 -11.995 1.00 88.33 98 A 1 ATOM 794 N N . LEU A 1 99 ? -18.123 22.947 -8.624 1.00 94.64 99 A 1 ATOM 795 C CA . LEU A 1 99 ? -18.721 22.041 -7.642 1.00 93.98 99 A 1 ATOM 796 C C . LEU A 1 99 ? -19.077 22.770 -6.344 1.00 93.50 99 A 1 ATOM 797 O O . LEU A 1 99 ? -18.245 23.428 -5.720 1.00 91.99 99 A 1 ATOM 798 C CB . LEU A 1 99 ? -17.794 20.848 -7.354 1.00 93.71 99 A 1 ATOM 799 C CG . LEU A 1 99 ? -17.647 19.838 -8.507 1.00 91.17 99 A 1 ATOM 800 C CD1 . LEU A 1 99 ? -16.641 18.753 -8.106 1.00 88.22 99 A 1 ATOM 801 C CD2 . LEU A 1 99 ? -18.961 19.149 -8.864 1.00 89.06 99 A 1 ATOM 802 N N . ASN A 1 100 ? -20.313 22.561 -5.883 1.00 92.46 100 A 1 ATOM 803 C CA . ASN A 1 100 ? -20.793 23.043 -4.590 1.00 91.44 100 A 1 ATOM 804 C C . ASN A 1 100 ? -20.730 21.918 -3.541 1.00 91.01 100 A 1 ATOM 805 O O . ASN A 1 100 ? -21.315 20.848 -3.720 1.00 88.99 100 A 1 ATOM 806 C CB . ASN A 1 100 ? -22.203 23.622 -4.768 1.00 90.00 100 A 1 ATOM 807 C CG . ASN A 1 100 ? -22.705 24.257 -3.489 1.00 87.26 100 A 1 ATOM 808 O OD1 . ASN A 1 100 ? -22.936 23.597 -2.495 1.00 80.13 100 A 1 ATOM 809 N ND2 . ASN A 1 100 ? -22.878 25.554 -3.452 1.00 79.13 100 A 1 ATOM 810 N N . LEU A 1 101 ? -20.051 22.180 -2.425 1.00 89.77 101 A 1 ATOM 811 C CA . LEU A 1 101 ? -19.815 21.238 -1.332 1.00 89.40 101 A 1 ATOM 812 C C . LEU A 1 101 ? -20.793 21.403 -0.153 1.00 88.77 101 A 1 ATOM 813 O O . LEU A 1 101 ? -20.656 20.704 0.846 1.00 86.43 101 A 1 ATOM 814 C CB . LEU A 1 101 ? -18.348 21.358 -0.879 1.00 89.30 101 A 1 ATOM 815 C CG . LEU A 1 101 ? -17.296 21.025 -1.953 1.00 89.06 101 A 1 ATOM 816 C CD1 . LEU A 1 101 ? -15.905 21.269 -1.372 1.00 86.80 101 A 1 ATOM 817 C CD2 . LEU A 1 101 ? -17.380 19.569 -2.407 1.00 86.84 101 A 1 ATOM 818 N N . SER A 1 102 ? -21.793 22.289 -0.239 1.00 88.34 102 A 1 ATOM 819 C CA . SER A 1 102 ? -22.704 22.621 0.877 1.00 86.87 102 A 1 ATOM 820 C C . SER A 1 102 ? -23.411 21.412 1.504 1.00 85.85 102 A 1 ATOM 821 O O . SER A 1 102 ? -23.640 21.388 2.714 1.00 82.96 102 A 1 ATOM 822 C CB . SER A 1 102 ? -23.761 23.627 0.414 1.00 86.60 102 A 1 ATOM 823 O OG . SER A 1 102 ? -24.515 23.122 -0.670 1.00 82.18 102 A 1 ATOM 824 N N . LYS A 1 103 ? -23.722 20.395 0.695 1.00 86.21 103 A 1 ATOM 825 C CA . LYS A 1 103 ? -24.421 19.167 1.116 1.00 84.67 103 A 1 ATOM 826 C C . LYS A 1 103 ? -23.484 17.993 1.408 1.00 84.58 103 A 1 ATOM 827 O O . LYS A 1 103 ? -23.960 16.894 1.677 1.00 81.03 103 A 1 ATOM 828 C CB . LYS A 1 103 ? -25.479 18.788 0.075 1.00 84.01 103 A 1 ATOM 829 C CG . LYS A 1 103 ? -26.558 19.869 -0.074 1.00 81.19 103 A 1 ATOM 830 C CD . LYS A 1 103 ? -27.657 19.391 -1.027 1.00 76.47 103 A 1 ATOM 831 C CE . LYS A 1 103 ? -28.723 20.481 -1.160 1.00 72.28 103 A 1 ATOM 832 N NZ . LYS A 1 103 ? -29.824 20.060 -2.060 1.00 63.82 103 A 1 ATOM 833 N N . VAL A 1 104 ? -22.165 18.204 1.337 1.00 87.34 104 A 1 ATOM 834 C CA . VAL A 1 104 ? -21.160 17.160 1.560 1.00 84.86 104 A 1 ATOM 835 C C . VAL A 1 104 ? -20.690 17.213 3.011 1.00 81.92 104 A 1 ATOM 836 O O . VAL A 1 104 ? -20.289 18.269 3.513 1.00 73.54 104 A 1 ATOM 837 C CB . VAL A 1 104 ? -19.996 17.288 0.565 1.00 84.02 104 A 1 ATOM 838 C CG1 . VAL A 1 104 ? -19.006 16.142 0.740 1.00 77.59 104 A 1 ATOM 839 C CG2 . VAL A 1 104 ? -20.502 17.252 -0.885 1.00 79.03 104 A 1 ATOM 840 N N . SER A 1 105 ? -20.754 16.058 3.696 1.00 74.97 105 A 1 ATOM 841 C CA . SER A 1 105 ? -20.321 15.886 5.085 1.00 71.86 105 A 1 ATOM 842 C C . SER A 1 105 ? -19.795 14.459 5.287 1.00 72.49 105 A 1 ATOM 843 O O . SER A 1 105 ? -20.386 13.532 4.726 1.00 67.23 105 A 1 ATOM 844 C CB . SER A 1 105 ? -21.496 16.161 6.026 1.00 66.02 105 A 1 ATOM 845 O OG . SER A 1 105 ? -21.087 16.109 7.376 1.00 57.20 105 A 1 ATOM 846 N N . PRO A 1 106 ? -18.731 14.225 6.079 1.00 60.46 106 A 1 ATOM 847 C CA . PRO A 1 106 ? -17.934 15.244 6.764 1.00 58.64 106 A 1 ATOM 848 C C . PRO A 1 106 ? -17.161 16.149 5.790 1.00 61.09 106 A 1 ATOM 849 O O . PRO A 1 106 ? -17.019 15.832 4.607 1.00 58.30 106 A 1 ATOM 850 C CB . PRO A 1 106 ? -17.002 14.458 7.689 1.00 54.07 106 A 1 ATOM 851 C CG . PRO A 1 106 ? -16.827 13.132 6.963 1.00 51.05 106 A 1 ATOM 852 C CD . PRO A 1 106 ? -18.181 12.897 6.311 1.00 54.11 106 A 1 ATOM 853 N N . LYS A 1 107 ? -16.690 17.309 6.285 1.00 63.09 107 A 1 ATOM 854 C CA . LYS A 1 107 ? -15.890 18.248 5.493 1.00 62.82 107 A 1 ATOM 855 C C . LYS A 1 107 ? -14.487 18.351 6.076 1.00 65.64 107 A 1 ATOM 856 O O . LYS A 1 107 ? -14.320 18.428 7.291 1.00 61.00 107 A 1 ATOM 857 C CB . LYS A 1 107 ? -16.552 19.634 5.436 1.00 57.80 107 A 1 ATOM 858 C CG . LYS A 1 107 ? -17.904 19.639 4.707 1.00 52.41 107 A 1 ATOM 859 C CD . LYS A 1 107 ? -18.459 21.072 4.618 1.00 49.18 107 A 1 ATOM 860 C CE . LYS A 1 107 ? -19.820 21.100 3.926 1.00 44.75 107 A 1 ATOM 861 N NZ . LYS A 1 107 ? -20.363 22.475 3.839 1.00 39.45 107 A 1 ATOM 862 N N . HIS A 1 108 ? -13.478 18.424 5.207 1.00 75.31 108 A 1 ATOM 863 C CA . HIS A 1 108 ? -12.102 18.718 5.571 1.00 76.15 108 A 1 ATOM 864 C C . HIS A 1 108 ? -11.577 19.870 4.706 1.00 79.01 108 A 1 ATOM 865 O O . HIS A 1 108 ? -11.874 19.939 3.518 1.00 76.32 108 A 1 ATOM 866 C CB . HIS A 1 108 ? -11.250 17.451 5.449 1.00 71.78 108 A 1 ATOM 867 C CG . HIS A 1 108 ? -9.898 17.598 6.091 1.00 65.57 108 A 1 ATOM 868 N ND1 . HIS A 1 108 ? -8.746 17.992 5.463 1.00 58.74 108 A 1 ATOM 869 C CD2 . HIS A 1 108 ? -9.596 17.408 7.412 1.00 56.65 108 A 1 ATOM 870 C CE1 . HIS A 1 108 ? -7.763 18.037 6.384 1.00 53.51 108 A 1 ATOM 871 N NE2 . HIS A 1 108 ? -8.237 17.695 7.589 1.00 54.45 108 A 1 ATOM 872 N N . TYR A 1 109 ? -10.801 20.781 5.303 1.00 83.58 109 A 1 ATOM 873 C CA . TYR A 1 109 ? -10.327 21.976 4.586 1.00 85.59 109 A 1 ATOM 874 C C . TYR A 1 109 ? -9.353 21.654 3.444 1.00 89.21 109 A 1 ATOM 875 O O . TYR A 1 109 ? -9.184 22.454 2.526 1.00 88.28 109 A 1 ATOM 876 C CB . TYR A 1 109 ? -9.684 22.950 5.583 1.00 80.59 109 A 1 ATOM 877 C CG . TYR A 1 109 ? -8.332 22.497 6.114 1.00 72.35 109 A 1 ATOM 878 C CD1 . TYR A 1 109 ? -8.247 21.668 7.248 1.00 65.97 109 A 1 ATOM 879 C CD2 . TYR A 1 109 ? -7.151 22.890 5.448 1.00 64.23 109 A 1 ATOM 880 C CE1 . TYR A 1 109 ? -6.998 21.221 7.712 1.00 53.86 109 A 1 ATOM 881 C CE2 . TYR A 1 109 ? -5.896 22.441 5.908 1.00 55.81 109 A 1 ATOM 882 C CZ . TYR A 1 109 ? -5.822 21.606 7.040 1.00 52.72 109 A 1 ATOM 883 O OH . TYR A 1 109 ? -4.612 21.163 7.479 1.00 49.41 109 A 1 ATOM 884 N N . GLN A 1 110 ? -8.676 20.511 3.504 1.00 92.58 110 A 1 ATOM 885 C CA . GLN A 1 110 ? -7.749 20.049 2.473 1.00 93.02 110 A 1 ATOM 886 C C . GLN A 1 110 ? -8.220 18.710 1.919 1.00 93.03 110 A 1 ATOM 887 O O . GLN A 1 110 ? -8.239 17.718 2.638 1.00 91.67 110 A 1 ATOM 888 C CB . GLN A 1 110 ? -6.332 19.988 3.058 1.00 92.64 110 A 1 ATOM 889 C CG . GLN A 1 110 ? -5.304 19.566 1.997 1.00 84.70 110 A 1 ATOM 890 C CD . GLN A 1 110 ? -3.873 19.799 2.474 1.00 80.96 110 A 1 ATOM 891 O OE1 . GLN A 1 110 ? -3.415 19.331 3.503 1.00 72.24 110 A 1 ATOM 892 N NE2 . GLN A 1 110 ? -3.086 20.553 1.730 1.00 68.23 110 A 1 ATOM 893 N N . LEU A 1 111 ? -8.564 18.684 0.645 1.00 95.25 111 A 1 ATOM 894 C CA . LEU A 1 111 ? -9.113 17.529 -0.055 1.00 95.64 111 A 1 ATOM 895 C C . LEU A 1 111 ? -8.066 16.924 -0.993 1.00 96.18 111 A 1 ATOM 896 O O . LEU A 1 111 ? -7.304 17.649 -1.640 1.00 96.23 111 A 1 ATOM 897 C CB . LEU A 1 111 ? -10.393 17.956 -0.794 1.00 95.27 111 A 1 ATOM 898 C CG . LEU A 1 111 ? -11.483 18.544 0.130 1.00 93.92 111 A 1 ATOM 899 C CD1 . LEU A 1 111 ? -12.658 19.052 -0.690 1.00 91.86 111 A 1 ATOM 900 C CD2 . LEU A 1 111 ? -12.014 17.514 1.123 1.00 91.29 111 A 1 ATOM 901 N N . LEU A 1 112 ? -8.028 15.596 -1.065 1.00 97.16 112 A 1 ATOM 902 C CA . LEU A 1 112 ? -7.278 14.851 -2.073 1.00 97.35 112 A 1 ATOM 903 C C . LEU A 1 112 ? -8.213 14.551 -3.245 1.00 97.16 112 A 1 ATOM 904 O O . LEU A 1 112 ? -9.268 13.956 -3.063 1.00 97.04 112 A 1 ATOM 905 C CB . LEU A 1 112 ? -6.709 13.562 -1.449 1.00 97.70 112 A 1 ATOM 906 C CG . LEU A 1 112 ? -5.931 12.656 -2.424 1.00 97.79 112 A 1 ATOM 907 C CD1 . LEU A 1 112 ? -4.612 13.293 -2.866 1.00 97.64 112 A 1 ATOM 908 C CD2 . LEU A 1 112 ? -5.608 11.323 -1.747 1.00 97.63 112 A 1 ATOM 909 N N . VAL A 1 113 ? -7.806 14.924 -4.444 1.00 98.28 113 A 1 ATOM 910 C CA . VAL A 1 113 ? -8.547 14.669 -5.677 1.00 98.26 113 A 1 ATOM 911 C C . VAL A 1 113 ? -7.707 13.765 -6.562 1.00 98.32 113 A 1 ATOM 912 O O . VAL A 1 113 ? -6.632 14.164 -7.006 1.00 98.16 113 A 1 ATOM 913 C CB . VAL A 1 113 ? -8.897 15.983 -6.394 1.00 98.04 113 A 1 ATOM 914 C CG1 . VAL A 1 113 ? -9.720 15.718 -7.656 1.00 97.47 113 A 1 ATOM 915 C CG2 . VAL A 1 113 ? -9.669 16.946 -5.483 1.00 97.51 113 A 1 ATOM 916 N N . LYS A 1 114 ? -8.191 12.553 -6.816 1.00 98.67 114 A 1 ATOM 917 C CA . LYS A 1 114 ? -7.658 11.678 -7.860 1.00 98.63 114 A 1 ATOM 918 C C . LYS A 1 114 ? -8.433 11.934 -9.141 1.00 98.65 114 A 1 ATOM 919 O O . LYS A 1 114 ? -9.655 11.978 -9.120 1.00 98.45 114 A 1 ATOM 920 C CB . LYS A 1 114 ? -7.766 10.220 -7.406 1.00 98.34 114 A 1 ATOM 921 C CG . LYS A 1 114 ? -7.192 9.238 -8.440 1.00 96.97 114 A 1 ATOM 922 C CD . LYS A 1 114 ? -7.425 7.817 -7.931 1.00 93.12 114 A 1 ATOM 923 C CE . LYS A 1 114 ? -7.000 6.762 -8.943 1.00 86.79 114 A 1 ATOM 924 N NZ . LYS A 1 114 ? -7.523 5.437 -8.508 1.00 77.55 114 A 1 ATOM 925 N N . TYR A 1 115 ? -7.731 12.067 -10.241 1.00 98.51 115 A 1 ATOM 926 C CA . TYR A 1 115 ? -8.368 12.308 -11.528 1.00 98.43 115 A 1 ATOM 927 C C . TYR A 1 115 ? -7.756 11.457 -12.639 1.00 98.33 115 A 1 ATOM 928 O O . TYR A 1 115 ? -6.590 11.063 -12.591 1.00 97.88 115 A 1 ATOM 929 C CB . TYR A 1 115 ? -8.340 13.809 -11.863 1.00 98.21 115 A 1 ATOM 930 C CG . TYR A 1 115 ? -6.969 14.338 -12.239 1.00 98.06 115 A 1 ATOM 931 C CD1 . TYR A 1 115 ? -6.054 14.730 -11.241 1.00 97.20 115 A 1 ATOM 932 C CD2 . TYR A 1 115 ? -6.592 14.412 -13.597 1.00 97.27 115 A 1 ATOM 933 C CE1 . TYR A 1 115 ? -4.770 15.186 -11.591 1.00 96.43 115 A 1 ATOM 934 C CE2 . TYR A 1 115 ? -5.308 14.865 -13.955 1.00 96.40 115 A 1 ATOM 935 C CZ . TYR A 1 115 ? -4.395 15.251 -12.951 1.00 96.24 115 A 1 ATOM 936 O OH . TYR A 1 115 ? -3.150 15.680 -13.298 1.00 94.56 115 A 1 ATOM 937 N N . SER A 1 116 ? -8.565 11.192 -13.651 1.00 98.17 116 A 1 ATOM 938 C CA . SER A 1 116 ? -8.162 10.687 -14.960 1.00 97.98 116 A 1 ATOM 939 C C . SER A 1 116 ? -8.939 11.441 -16.037 1.00 97.99 116 A 1 ATOM 940 O O . SER A 1 116 ? -9.806 12.255 -15.728 1.00 97.50 116 A 1 ATOM 941 C CB . SER A 1 116 ? -8.423 9.177 -15.036 1.00 97.55 116 A 1 ATOM 942 O OG . SER A 1 116 ? -9.810 8.918 -15.187 1.00 95.86 116 A 1 ATOM 943 N N . ASN A 1 117 ? -8.713 11.129 -17.312 1.00 97.52 117 A 1 ATOM 944 C CA . ASN A 1 117 ? -9.537 11.695 -18.390 1.00 97.40 117 A 1 ATOM 945 C C . ASN A 1 117 ? -11.051 11.438 -18.229 1.00 97.56 117 A 1 ATOM 946 O O . ASN A 1 117 ? -11.842 12.163 -18.830 1.00 96.78 117 A 1 ATOM 947 C CB . ASN A 1 117 ? -9.064 11.120 -19.731 1.00 96.54 117 A 1 ATOM 948 C CG . ASN A 1 117 ? -7.675 11.558 -20.135 1.00 94.83 117 A 1 ATOM 949 O OD1 . ASN A 1 117 ? -6.775 10.753 -20.292 1.00 87.13 117 A 1 ATOM 950 N ND2 . ASN A 1 117 ? -7.457 12.826 -20.370 1.00 87.02 117 A 1 ATOM 951 N N . TYR A 1 118 ? -11.440 10.419 -17.456 1.00 97.59 118 A 1 ATOM 952 C CA . TYR A 1 118 ? -12.821 9.938 -17.340 1.00 97.60 118 A 1 ATOM 953 C C . TYR A 1 118 ? -13.403 10.045 -15.928 1.00 97.90 118 A 1 ATOM 954 O O . TYR A 1 118 ? -14.611 9.894 -15.769 1.00 97.31 118 A 1 ATOM 955 C CB . TYR A 1 118 ? -12.879 8.479 -17.797 1.00 97.22 118 A 1 ATOM 956 C CG . TYR A 1 118 ? -12.454 8.258 -19.237 1.00 97.01 118 A 1 ATOM 957 C CD1 . TYR A 1 118 ? -13.394 8.423 -20.275 1.00 95.39 118 A 1 ATOM 958 C CD2 . TYR A 1 118 ? -11.129 7.889 -19.538 1.00 95.67 118 A 1 ATOM 959 C CE1 . TYR A 1 118 ? -13.014 8.208 -21.612 1.00 94.45 118 A 1 ATOM 960 C CE2 . TYR A 1 118 ? -10.742 7.675 -20.880 1.00 94.62 118 A 1 ATOM 961 C CZ . TYR A 1 118 ? -11.690 7.832 -21.917 1.00 94.81 118 A 1 ATOM 962 O OH . TYR A 1 118 ? -11.325 7.613 -23.209 1.00 92.96 118 A 1 ATOM 963 N N . THR A 1 119 ? -12.574 10.245 -14.905 1.00 98.04 119 A 1 ATOM 964 C CA . THR A 1 119 ? -13.027 10.159 -13.513 1.00 98.18 119 A 1 ATOM 965 C C . THR A 1 119 ? -12.411 11.243 -12.638 1.00 98.33 119 A 1 ATOM 966 O O . THR A 1 119 ? -11.243 11.593 -12.805 1.00 98.07 119 A 1 ATOM 967 C CB . THR A 1 119 ? -12.731 8.782 -12.887 1.00 97.69 119 A 1 ATOM 968 O OG1 . THR A 1 119 ? -11.343 8.523 -12.862 1.00 91.57 119 A 1 ATOM 969 C CG2 . THR A 1 119 ? -13.381 7.623 -13.639 1.00 91.51 119 A 1 ATOM 970 N N . ILE A 1 120 ? -13.190 11.714 -11.665 1.00 98.38 120 A 1 ATOM 971 C CA . ILE A 1 120 ? -12.726 12.502 -10.523 1.00 98.43 120 A 1 ATOM 972 C C . ILE A 1 120 ? -13.244 11.821 -9.257 1.00 98.41 120 A 1 ATOM 973 O O . ILE A 1 120 ? -14.440 11.561 -9.137 1.00 98.10 120 A 1 ATOM 974 C CB . ILE A 1 120 ? -13.207 13.971 -10.595 1.00 98.33 120 A 1 ATOM 975 C CG1 . ILE A 1 120 ? -12.700 14.667 -11.876 1.00 97.79 120 A 1 ATOM 976 C CG2 . ILE A 1 120 ? -12.756 14.750 -9.344 1.00 97.77 120 A 1 ATOM 977 C CD1 . ILE A 1 120 ? -13.241 16.090 -12.074 1.00 96.64 120 A 1 ATOM 978 N N . GLU A 1 121 ? -12.357 11.563 -8.308 1.00 97.80 121 A 1 ATOM 979 C CA . GLU A 1 121 ? -12.675 11.040 -6.982 1.00 97.91 121 A 1 ATOM 980 C C . GLU A 1 121 ? -12.110 11.998 -5.929 1.00 97.90 121 A 1 ATOM 981 O O . GLU A 1 121 ? -10.924 12.328 -5.960 1.00 97.73 121 A 1 ATOM 982 C CB . GLU A 1 121 ? -12.090 9.634 -6.800 1.00 97.92 121 A 1 ATOM 983 C CG . GLU A 1 121 ? -12.659 8.589 -7.773 1.00 95.79 121 A 1 ATOM 984 C CD . GLU A 1 121 ? -11.992 7.218 -7.573 1.00 93.87 121 A 1 ATOM 985 O OE1 . GLU A 1 121 ? -12.720 6.251 -7.282 1.00 82.05 121 A 1 ATOM 986 O OE2 . GLU A 1 121 ? -10.739 7.131 -7.713 1.00 83.91 121 A 1 ATOM 987 N N . ILE A 1 122 ? -12.948 12.443 -5.003 1.00 97.05 122 A 1 ATOM 988 C CA . ILE A 1 122 ? -12.595 13.431 -3.980 1.00 96.73 122 A 1 ATOM 989 C C . ILE A 1 122 ? -12.661 12.775 -2.605 1.00 96.52 122 A 1 ATOM 990 O O . ILE A 1 122 ? -13.681 12.190 -2.240 1.00 96.12 122 A 1 ATOM 991 C CB . ILE A 1 122 ? -13.492 14.683 -4.071 1.00 96.47 122 A 1 ATOM 992 C CG1 . ILE A 1 122 ? -13.484 15.253 -5.511 1.00 95.68 122 A 1 ATOM 993 C CG2 . ILE A 1 122 ? -13.046 15.731 -3.037 1.00 95.83 122 A 1 ATOM 994 C CD1 . ILE A 1 122 ? -14.367 16.480 -5.723 1.00 94.17 122 A 1 ATOM 995 N N . TYR A 1 123 ? -11.579 12.907 -1.837 1.00 96.42 123 A 1 ATOM 996 C CA . TYR A 1 123 ? -11.409 12.338 -0.509 1.00 96.59 123 A 1 ATOM 997 C C . TYR A 1 123 ? -11.138 13.447 0.508 1.00 96.51 123 A 1 ATOM 998 O O . TYR A 1 123 ? -10.248 14.275 0.321 1.00 96.35 123 A 1 ATOM 999 C CB . TYR A 1 123 ? -10.271 11.316 -0.522 1.00 96.87 123 A 1 ATOM 1000 C CG . TYR A 1 123 ? -10.454 10.169 -1.504 1.00 97.27 123 A 1 ATOM 1001 C CD1 . TYR A 1 123 ? -11.084 8.982 -1.084 1.00 97.04 123 A 1 ATOM 1002 C CD2 . TYR A 1 123 ? -10.005 10.291 -2.836 1.00 97.11 123 A 1 ATOM 1003 C CE1 . TYR A 1 123 ? -11.261 7.913 -1.987 1.00 97.05 123 A 1 ATOM 1004 C CE2 . TYR A 1 123 ? -10.186 9.225 -3.744 1.00 97.14 123 A 1 ATOM 1005 C CZ . TYR A 1 123 ? -10.812 8.032 -3.315 1.00 97.26 123 A 1 ATOM 1006 O OH . TYR A 1 123 ? -10.991 6.994 -4.177 1.00 96.89 123 A 1 ATOM 1007 N N . ASP A 1 124 ? -11.883 13.429 1.601 1.00 94.95 124 A 1 ATOM 1008 C CA . ASP A 1 124 ? -11.740 14.351 2.731 1.00 93.86 124 A 1 ATOM 1009 C C . ASP A 1 124 ? -10.871 13.777 3.857 1.00 93.82 124 A 1 ATOM 1010 O O . ASP A 1 124 ? -10.222 14.529 4.583 1.00 92.52 124 A 1 ATOM 1011 C CB . ASP A 1 124 ? -13.135 14.719 3.245 1.00 92.20 124 A 1 ATOM 1012 C CG . ASP A 1 124 ? -13.926 13.531 3.801 1.00 91.27 124 A 1 ATOM 1013 O OD1 . ASP A 1 124 ? -13.751 12.389 3.303 1.00 89.30 124 A 1 ATOM 1014 O OD2 . ASP A 1 124 ? -14.721 13.765 4.732 1.00 87.98 124 A 1 ATOM 1015 N N . ILE A 1 125 ? -10.795 12.445 3.972 1.00 94.78 125 A 1 ATOM 1016 C CA . ILE A 1 125 ? -9.957 11.745 4.948 1.00 95.06 125 A 1 ATOM 1017 C C . ILE A 1 125 ? -8.953 10.875 4.197 1.00 95.74 125 A 1 ATOM 1018 O O . ILE A 1 125 ? -9.323 9.923 3.508 1.00 95.76 125 A 1 ATOM 1019 C CB . ILE A 1 125 ? -10.800 10.930 5.950 1.00 94.41 125 A 1 ATOM 1020 C CG1 . ILE A 1 125 ? -11.830 11.828 6.674 1.00 92.41 125 A 1 ATOM 1021 C CG2 . ILE A 1 125 ? -9.871 10.255 6.975 1.00 92.13 125 A 1 ATOM 1022 C CD1 . ILE A 1 125 ? -12.808 11.063 7.569 1.00 84.56 125 A 1 ATOM 1023 N N . TYR A 1 126 ? -7.677 11.201 4.354 1.00 97.11 126 A 1 ATOM 1024 C CA . TYR A 1 126 ? -6.586 10.463 3.723 1.00 97.31 126 A 1 ATOM 1025 C C . TYR A 1 126 ? -5.279 10.616 4.502 1.00 97.20 126 A 1 ATOM 1026 O O . TYR A 1 126 ? -5.016 11.634 5.137 1.00 96.73 126 A 1 ATOM 1027 C CB . TYR A 1 126 ? -6.412 10.916 2.265 1.00 97.33 126 A 1 ATOM 1028 C CG . TYR A 1 126 ? -6.089 12.388 2.108 1.00 97.49 126 A 1 ATOM 1029 C CD1 . TYR A 1 126 ? -7.135 13.330 2.027 1.00 96.84 126 A 1 ATOM 1030 C CD2 . TYR A 1 126 ? -4.755 12.827 2.082 1.00 97.00 126 A 1 ATOM 1031 C CE1 . TYR A 1 126 ? -6.848 14.701 1.925 1.00 96.42 126 A 1 ATOM 1032 C CE2 . TYR A 1 126 ? -4.461 14.199 1.979 1.00 96.49 126 A 1 ATOM 1033 C CZ . TYR A 1 126 ? -5.509 15.138 1.902 1.00 96.49 126 A 1 ATOM 1034 O OH . TYR A 1 126 ? -5.228 16.462 1.802 1.00 95.39 126 A 1 ATOM 1035 N N . PHE A 1 127 ? -4.418 9.612 4.401 1.00 97.28 127 A 1 ATOM 1036 C CA . PHE A 1 127 ? -3.115 9.579 5.059 1.00 96.99 127 A 1 ATOM 1037 C C . PHE A 1 127 ? -2.038 9.223 4.045 1.00 97.33 127 A 1 ATOM 1038 O O . PHE A 1 127 ? -2.093 8.174 3.413 1.00 97.19 127 A 1 ATOM 1039 C CB . PHE A 1 127 ? -3.147 8.579 6.220 1.00 96.30 127 A 1 ATOM 1040 C CG . PHE A 1 127 ? -4.230 8.870 7.242 1.00 95.53 127 A 1 ATOM 1041 C CD1 . PHE A 1 127 ? -4.002 9.794 8.280 1.00 94.07 127 A 1 ATOM 1042 C CD2 . PHE A 1 127 ? -5.488 8.245 7.132 1.00 94.30 127 A 1 ATOM 1043 C CE1 . PHE A 1 127 ? -5.021 10.082 9.204 1.00 93.03 127 A 1 ATOM 1044 C CE2 . PHE A 1 127 ? -6.508 8.540 8.053 1.00 93.25 127 A 1 ATOM 1045 C CZ . PHE A 1 127 ? -6.272 9.458 9.092 1.00 92.86 127 A 1 ATOM 1046 N N . LYS A 1 128 ? -1.034 10.091 3.895 1.00 97.42 128 A 1 ATOM 1047 C CA . LYS A 1 128 ? 0.064 9.868 2.949 1.00 97.30 128 A 1 ATOM 1048 C C . LYS A 1 128 ? 0.989 8.761 3.450 1.00 97.14 128 A 1 ATOM 1049 O O . LYS A 1 128 ? 1.450 8.814 4.590 1.00 96.29 128 A 1 ATOM 1050 C CB . LYS A 1 128 ? 0.817 11.183 2.704 1.00 96.83 128 A 1 ATOM 1051 C CG . LYS A 1 128 ? 1.815 11.028 1.550 1.00 95.65 128 A 1 ATOM 1052 C CD . LYS A 1 128 ? 2.477 12.359 1.185 1.00 92.85 128 A 1 ATOM 1053 C CE . LYS A 1 128 ? 3.392 12.121 -0.024 1.00 88.08 128 A 1 ATOM 1054 N NZ . LYS A 1 128 ? 3.948 13.385 -0.561 1.00 80.69 128 A 1 ATOM 1055 N N . GLY A 1 129 ? 1.316 7.810 2.578 1.00 97.32 129 A 1 ATOM 1056 C CA . GLY A 1 129 ? 2.376 6.839 2.808 1.00 97.10 129 A 1 ATOM 1057 C C . GLY A 1 129 ? 3.748 7.517 2.812 1.00 96.74 129 A 1 ATOM 1058 O O . GLY A 1 129 ? 4.065 8.320 1.933 1.00 95.94 129 A 1 ATOM 1059 N N . HIS A 1 130 ? 4.552 7.186 3.816 1.00 96.22 130 A 1 ATOM 1060 C CA . HIS A 1 130 ? 5.924 7.676 3.946 1.00 95.80 130 A 1 ATOM 1061 C C . HIS A 1 130 ? 6.924 6.636 3.440 1.00 96.26 130 A 1 ATOM 1062 O O . HIS A 1 130 ? 6.610 5.448 3.364 1.00 95.77 130 A 1 ATOM 1063 C CB . HIS A 1 130 ? 6.189 8.072 5.400 1.00 94.99 130 A 1 ATOM 1064 C CG . HIS A 1 130 ? 5.356 9.254 5.838 1.00 93.32 130 A 1 ATOM 1065 N ND1 . HIS A 1 130 ? 5.497 10.554 5.407 1.00 82.29 130 A 1 ATOM 1066 C CD2 . HIS A 1 130 ? 4.301 9.234 6.712 1.00 81.58 130 A 1 ATOM 1067 C CE1 . HIS A 1 130 ? 4.556 11.297 6.010 1.00 81.78 130 A 1 ATOM 1068 N NE2 . HIS A 1 130 ? 3.798 10.537 6.815 1.00 84.51 130 A 1 ATOM 1069 N N . ILE A 1 131 ? 8.132 7.093 3.104 1.00 95.69 131 A 1 ATOM 1070 C CA . ILE A 1 131 ? 9.261 6.219 2.784 1.00 95.50 131 A 1 ATOM 1071 C C . ILE A 1 131 ? 9.861 5.727 4.100 1.00 95.27 131 A 1 ATOM 1072 O O . ILE A 1 131 ? 10.137 6.534 4.991 1.00 94.38 131 A 1 ATOM 1073 C CB . ILE A 1 131 ? 10.307 6.934 1.900 1.00 95.08 131 A 1 ATOM 1074 C CG1 . ILE A 1 131 ? 9.664 7.455 0.594 1.00 93.77 131 A 1 ATOM 1075 C CG2 . ILE A 1 131 ? 11.471 5.977 1.580 1.00 93.32 131 A 1 ATOM 1076 C CD1 . ILE A 1 131 ? 10.574 8.364 -0.244 1.00 90.47 131 A 1 ATOM 1077 N N . TYR A 1 132 ? 10.062 4.408 4.209 1.00 95.57 132 A 1 ATOM 1078 C CA . TYR A 1 132 ? 10.705 3.778 5.354 1.00 95.36 132 A 1 ATOM 1079 C C . TYR A 1 132 ? 11.927 2.982 4.908 1.00 95.37 132 A 1 ATOM 1080 O O . TYR A 1 132 ? 11.899 2.271 3.907 1.00 94.82 132 A 1 ATOM 1081 C CB . TYR A 1 132 ? 9.706 2.895 6.112 1.00 95.19 132 A 1 ATOM 1082 C CG . TYR A 1 132 ? 8.587 3.671 6.780 1.00 95.07 132 A 1 ATOM 1083 C CD1 . TYR A 1 132 ? 8.809 4.299 8.021 1.00 92.79 132 A 1 ATOM 1084 C CD2 . TYR A 1 132 ? 7.332 3.783 6.156 1.00 93.11 132 A 1 ATOM 1085 C CE1 . TYR A 1 132 ? 7.776 5.028 8.641 1.00 91.96 132 A 1 ATOM 1086 C CE2 . TYR A 1 132 ? 6.298 4.514 6.770 1.00 92.51 132 A 1 ATOM 1087 C CZ . TYR A 1 132 ? 6.518 5.134 8.015 1.00 92.91 132 A 1 ATOM 1088 O OH . TYR A 1 132 ? 5.515 5.834 8.616 1.00 91.38 132 A 1 ATOM 1089 N N . GLU A 1 133 ? 12.990 3.102 5.691 1.00 94.18 133 A 1 ATOM 1090 C CA . GLU A 1 133 ? 14.200 2.297 5.588 1.00 94.02 133 A 1 ATOM 1091 C C . GLU A 1 133 ? 14.126 1.244 6.697 1.00 94.39 133 A 1 ATOM 1092 O O . GLU A 1 133 ? 14.391 1.535 7.861 1.00 93.63 133 A 1 ATOM 1093 C CB . GLU A 1 133 ? 15.424 3.231 5.684 1.00 92.75 133 A 1 ATOM 1094 C CG . GLU A 1 133 ? 16.783 2.552 5.453 1.00 87.05 133 A 1 ATOM 1095 C CD . GLU A 1 133 ? 17.955 3.577 5.437 1.00 85.45 133 A 1 ATOM 1096 O OE1 . GLU A 1 133 ? 19.136 3.202 5.313 1.00 76.03 133 A 1 ATOM 1097 O OE2 . GLU A 1 133 ? 17.725 4.811 5.526 1.00 78.69 133 A 1 ATOM 1098 N N . PHE A 1 134 ? 13.653 0.050 6.349 1.00 95.29 134 A 1 ATOM 1099 C CA . PHE A 1 134 ? 13.544 -1.064 7.287 1.00 95.46 134 A 1 ATOM 1100 C C . PHE A 1 134 ? 14.881 -1.804 7.411 1.00 95.58 134 A 1 ATOM 1101 O O . PHE A 1 134 ? 15.659 -1.809 6.454 1.00 95.21 134 A 1 ATOM 1102 C CB . PHE A 1 134 ? 12.420 -2.008 6.850 1.00 95.54 134 A 1 ATOM 1103 C CG . PHE A 1 134 ? 11.038 -1.386 6.845 1.00 95.92 134 A 1 ATOM 1104 C CD1 . PHE A 1 134 ? 10.434 -1.002 8.055 1.00 94.70 134 A 1 ATOM 1105 C CD2 . PHE A 1 134 ? 10.343 -1.211 5.633 1.00 94.92 134 A 1 ATOM 1106 C CE1 . PHE A 1 134 ? 9.140 -0.449 8.056 1.00 94.41 134 A 1 ATOM 1107 C CE2 . PHE A 1 134 ? 9.051 -0.663 5.632 1.00 94.47 134 A 1 ATOM 1108 C CZ . PHE A 1 134 ? 8.446 -0.282 6.844 1.00 94.97 134 A 1 ATOM 1109 N N . PRO A 1 135 ? 15.149 -2.471 8.551 1.00 95.92 135 A 1 ATOM 1110 C CA . PRO A 1 135 ? 16.322 -3.324 8.695 1.00 96.01 135 A 1 ATOM 1111 C C . PRO A 1 135 ? 16.353 -4.417 7.620 1.00 96.98 135 A 1 ATOM 1112 O O . PRO A 1 135 ? 15.411 -5.201 7.496 1.00 97.03 135 A 1 ATOM 1113 C CB . PRO A 1 135 ? 16.240 -3.912 10.110 1.00 95.00 135 A 1 ATOM 1114 C CG . PRO A 1 135 ? 15.382 -2.899 10.866 1.00 93.51 135 A 1 ATOM 1115 C CD . PRO A 1 135 ? 14.407 -2.417 9.801 1.00 95.52 135 A 1 ATOM 1116 N N . LEU A 1 136 ? 17.441 -4.464 6.846 1.00 97.11 136 A 1 ATOM 1117 C CA . LEU A 1 136 ? 17.664 -5.491 5.833 1.00 97.44 136 A 1 ATOM 1118 C C . LEU A 1 136 ? 18.113 -6.789 6.519 1.00 97.45 136 A 1 ATOM 1119 O O . LEU A 1 136 ? 19.109 -6.789 7.240 1.00 96.96 136 A 1 ATOM 1120 C CB . LEU A 1 136 ? 18.708 -4.975 4.819 1.00 97.32 136 A 1 ATOM 1121 C CG . LEU A 1 136 ? 18.904 -5.885 3.592 1.00 96.52 136 A 1 ATOM 1122 C CD1 . LEU A 1 136 ? 17.697 -5.830 2.650 1.00 95.01 136 A 1 ATOM 1123 C CD2 . LEU A 1 136 ? 20.134 -5.432 2.806 1.00 95.17 136 A 1 ATOM 1124 N N . VAL A 1 137 ? 17.389 -7.877 6.279 1.00 97.87 137 A 1 ATOM 1125 C CA . VAL A 1 137 ? 17.692 -9.223 6.790 1.00 98.05 137 A 1 ATOM 1126 C C . VAL A 1 137 ? 18.507 -10.005 5.772 1.00 98.35 137 A 1 ATOM 1127 O O . VAL A 1 137 ? 19.487 -10.657 6.118 1.00 97.74 137 A 1 ATOM 1128 C CB . VAL A 1 137 ? 16.392 -9.980 7.123 1.00 97.30 137 A 1 ATOM 1129 C CG1 . VAL A 1 137 ? 16.657 -11.409 7.603 1.00 94.41 137 A 1 ATOM 1130 C CG2 . VAL A 1 137 ? 15.600 -9.254 8.213 1.00 94.46 137 A 1 ATOM 1131 N N . SER A 1 138 ? 18.103 -9.952 4.503 1.00 98.34 138 A 1 ATOM 1132 C CA . SER A 1 138 ? 18.760 -10.653 3.408 1.00 98.46 138 A 1 ATOM 1133 C C . SER A 1 138 ? 18.501 -9.948 2.080 1.00 98.47 138 A 1 ATOM 1134 O O . SER A 1 138 ? 17.550 -9.180 1.938 1.00 98.12 138 A 1 ATOM 1135 C CB . SER A 1 138 ? 18.272 -12.105 3.357 1.00 98.34 138 A 1 ATOM 1136 O OG . SER A 1 138 ? 19.111 -12.853 2.504 1.00 96.43 138 A 1 ATOM 1137 N N . GLN A 1 139 ? 19.360 -10.218 1.102 1.00 98.45 139 A 1 ATOM 1138 C CA . GLN A 1 139 ? 19.242 -9.668 -0.243 1.00 98.29 139 A 1 ATOM 1139 C C . GLN A 1 139 ? 19.765 -10.668 -1.272 1.00 98.27 139 A 1 ATOM 1140 O O . GLN A 1 139 ? 20.820 -11.271 -1.082 1.00 97.63 139 A 1 ATOM 1141 C CB . GLN A 1 139 ? 20.004 -8.331 -0.304 1.00 97.55 139 A 1 ATOM 1142 C CG . GLN A 1 139 ? 19.881 -7.644 -1.674 1.00 95.51 139 A 1 ATOM 1143 C CD . GLN A 1 139 ? 20.558 -6.281 -1.738 1.00 94.37 139 A 1 ATOM 1144 O OE1 . GLN A 1 139 ? 21.287 -5.845 -0.860 1.00 86.80 139 A 1 ATOM 1145 N NE2 . GLN A 1 139 ? 20.346 -5.542 -2.807 1.00 84.27 139 A 1 ATOM 1146 N N . GLN A 1 140 ? 19.072 -10.809 -2.393 1.00 98.12 140 A 1 ATOM 1147 C CA . GLN A 1 140 ? 19.542 -11.530 -3.573 1.00 97.94 140 A 1 ATOM 1148 C C . GLN A 1 140 ? 19.266 -10.688 -4.827 1.00 97.61 140 A 1 ATOM 1149 O O . GLN A 1 140 ? 18.114 -10.498 -5.212 1.00 96.69 140 A 1 ATOM 1150 C CB . GLN A 1 140 ? 18.866 -12.907 -3.646 1.00 97.67 140 A 1 ATOM 1151 C CG . GLN A 1 140 ? 19.449 -13.749 -4.790 1.00 96.18 140 A 1 ATOM 1152 C CD . GLN A 1 140 ? 18.661 -15.015 -5.057 1.00 96.15 140 A 1 ATOM 1153 O OE1 . GLN A 1 140 ? 17.464 -14.994 -5.281 1.00 91.24 140 A 1 ATOM 1154 N NE2 . GLN A 1 140 ? 19.305 -16.157 -5.095 1.00 89.72 140 A 1 ATOM 1155 N N . GLY A 1 141 ? 20.313 -10.166 -5.455 1.00 96.97 141 A 1 ATOM 1156 C CA . GLY A 1 141 ? 20.160 -9.239 -6.577 1.00 96.07 141 A 1 ATOM 1157 C C . GLY A 1 141 ? 19.325 -8.015 -6.185 1.00 96.01 141 A 1 ATOM 1158 O O . GLY A 1 141 ? 19.730 -7.238 -5.321 1.00 94.62 141 A 1 ATOM 1159 N N . HIS A 1 142 ? 18.158 -7.866 -6.803 1.00 97.04 142 A 1 ATOM 1160 C CA . HIS A 1 142 ? 17.204 -6.792 -6.500 1.00 97.01 142 A 1 ATOM 1161 C C . HIS A 1 142 ? 16.092 -7.195 -5.515 1.00 97.66 142 A 1 ATOM 1162 O O . HIS A 1 142 ? 15.294 -6.333 -5.142 1.00 97.10 142 A 1 ATOM 1163 C CB . HIS A 1 142 ? 16.623 -6.251 -7.813 1.00 96.03 142 A 1 ATOM 1164 C CG . HIS A 1 142 ? 17.654 -5.569 -8.681 1.00 94.24 142 A 1 ATOM 1165 N ND1 . HIS A 1 142 ? 18.423 -4.495 -8.315 1.00 84.13 142 A 1 ATOM 1166 C CD2 . HIS A 1 142 ? 17.998 -5.902 -9.964 1.00 83.50 142 A 1 ATOM 1167 C CE1 . HIS A 1 142 ? 19.221 -4.187 -9.357 1.00 85.10 142 A 1 ATOM 1168 N NE2 . HIS A 1 142 ? 18.993 -5.011 -10.388 1.00 86.69 142 A 1 ATOM 1169 N N . LEU A 1 143 ? 16.025 -8.461 -5.108 1.00 97.47 143 A 1 ATOM 1170 C CA . LEU A 1 143 ? 15.098 -8.912 -4.074 1.00 98.00 143 A 1 ATOM 1171 C C . LEU A 1 143 ? 15.678 -8.577 -2.698 1.00 98.10 143 A 1 ATOM 1172 O O . LEU A 1 143 ? 16.703 -9.132 -2.302 1.00 98.03 143 A 1 ATOM 1173 C CB . LEU A 1 143 ? 14.818 -10.414 -4.226 1.00 98.24 143 A 1 ATOM 1174 C CG . LEU A 1 143 ? 13.832 -10.966 -3.175 1.00 98.14 143 A 1 ATOM 1175 C CD1 . LEU A 1 143 ? 12.437 -10.361 -3.316 1.00 97.78 143 A 1 ATOM 1176 C CD2 . LEU A 1 143 ? 13.709 -12.483 -3.318 1.00 97.74 143 A 1 ATOM 1177 N N . ASN A 1 144 ? 15.005 -7.703 -1.967 1.00 98.36 144 A 1 ATOM 1178 C CA . ASN A 1 144 ? 15.351 -7.337 -0.601 1.00 98.40 144 A 1 ATOM 1179 C C . ASN A 1 144 ? 14.358 -7.976 0.370 1.00 98.65 144 A 1 ATOM 1180 O O . ASN A 1 144 ? 13.156 -7.991 0.109 1.00 98.55 144 A 1 ATOM 1181 C CB . ASN A 1 144 ? 15.367 -5.811 -0.457 1.00 97.98 144 A 1 ATOM 1182 C CG . ASN A 1 144 ? 16.313 -5.147 -1.435 1.00 96.78 144 A 1 ATOM 1183 O OD1 . ASN A 1 144 ? 17.523 -5.166 -1.292 1.00 90.44 144 A 1 ATOM 1184 N ND2 . ASN A 1 144 ? 15.786 -4.547 -2.477 1.00 89.05 144 A 1 ATOM 1185 N N . VAL A 1 145 ? 14.864 -8.453 1.504 1.00 98.55 145 A 1 ATOM 1186 C CA . VAL A 1 145 ? 14.075 -8.995 2.609 1.00 98.68 145 A 1 ATOM 1187 C C . VAL A 1 145 ? 14.302 -8.114 3.828 1.00 98.56 145 A 1 ATOM 1188 O O . VAL A 1 145 ? 15.426 -8.007 4.316 1.00 98.25 145 A 1 ATOM 1189 C CB . VAL A 1 145 ? 14.433 -10.457 2.918 1.00 98.71 145 A 1 ATOM 1190 C CG1 . VAL A 1 145 ? 13.412 -11.048 3.897 1.00 98.27 145 A 1 ATOM 1191 C CG2 . VAL A 1 145 ? 14.457 -11.323 1.650 1.00 98.19 145 A 1 ATOM 1192 N N . TYR A 1 146 ? 13.239 -7.490 4.311 1.00 98.53 146 A 1 ATOM 1193 C CA . TYR A 1 146 ? 13.275 -6.591 5.460 1.00 98.44 146 A 1 ATOM 1194 C C . TYR A 1 146 ? 12.572 -7.209 6.659 1.00 98.49 146 A 1 ATOM 1195 O O . TYR A 1 146 ? 11.516 -7.815 6.499 1.00 98.34 146 A 1 ATOM 1196 C CB . TYR A 1 146 ? 12.628 -5.253 5.103 1.00 98.26 146 A 1 ATOM 1197 C CG . TYR A 1 146 ? 13.214 -4.567 3.883 1.00 98.07 146 A 1 ATOM 1198 C CD1 . TYR A 1 146 ? 14.483 -3.965 3.967 1.00 97.15 146 A 1 ATOM 1199 C CD2 . TYR A 1 146 ? 12.488 -4.519 2.677 1.00 97.12 146 A 1 ATOM 1200 C CE1 . TYR A 1 146 ? 15.023 -3.298 2.852 1.00 96.45 146 A 1 ATOM 1201 C CE2 . TYR A 1 146 ? 13.024 -3.851 1.559 1.00 96.49 146 A 1 ATOM 1202 C CZ . TYR A 1 146 ? 14.290 -3.233 1.650 1.00 96.55 146 A 1 ATOM 1203 O OH . TYR A 1 146 ? 14.800 -2.563 0.585 1.00 94.91 146 A 1 ATOM 1204 N N . ASN A 1 147 ? 13.102 -6.969 7.866 1.00 98.03 147 A 1 ATOM 1205 C CA . ASN A 1 147 ? 12.337 -7.149 9.093 1.00 97.72 147 A 1 ATOM 1206 C C . ASN A 1 147 ? 11.467 -5.899 9.308 1.00 97.69 147 A 1 ATOM 1207 O O . ASN A 1 147 ? 11.965 -4.772 9.325 1.00 97.07 147 A 1 ATOM 1208 C CB . ASN A 1 147 ? 13.287 -7.460 10.264 1.00 97.00 147 A 1 ATOM 1209 C CG . ASN A 1 147 ? 12.534 -7.878 11.514 1.00 93.30 147 A 1 ATOM 1210 O OD1 . ASN A 1 147 ? 11.772 -7.109 12.064 1.00 82.84 147 A 1 ATOM 1211 N ND2 . ASN A 1 147 ? 12.711 -9.086 11.991 1.00 80.65 147 A 1 ATOM 1212 N N . VAL A 1 148 ? 10.159 -6.105 9.426 1.00 97.47 148 A 1 ATOM 1213 C CA . VAL A 1 148 ? 9.172 -5.025 9.557 1.00 97.59 148 A 1 ATOM 1214 C C . VAL A 1 148 ? 8.329 -5.207 10.818 1.00 97.31 148 A 1 ATOM 1215 O O . VAL A 1 148 ? 8.186 -6.327 11.300 1.00 97.00 148 A 1 ATOM 1216 C CB . VAL A 1 148 ? 8.289 -4.891 8.300 1.00 97.71 148 A 1 ATOM 1217 C CG1 . VAL A 1 148 ? 9.131 -4.535 7.069 1.00 97.11 148 A 1 ATOM 1218 C CG2 . VAL A 1 148 ? 7.457 -6.136 7.986 1.00 96.64 148 A 1 ATOM 1219 N N . PRO A 1 149 ? 7.765 -4.126 11.383 1.00 97.18 149 A 1 ATOM 1220 C CA . PRO A 1 149 ? 6.841 -4.267 12.493 1.00 96.73 149 A 1 ATOM 1221 C C . PRO A 1 149 ? 5.559 -4.986 12.055 1.00 97.09 149 A 1 ATOM 1222 O O . PRO A 1 149 ? 5.147 -4.923 10.896 1.00 96.65 149 A 1 ATOM 1223 C CB . PRO A 1 149 ? 6.572 -2.847 12.988 1.00 95.54 149 A 1 ATOM 1224 C CG . PRO A 1 149 ? 6.790 -1.997 11.739 1.00 93.54 149 A 1 ATOM 1225 C CD . PRO A 1 149 ? 7.896 -2.737 10.995 1.00 96.42 149 A 1 ATOM 1226 N N . GLU A 1 150 ? 4.904 -5.616 13.023 1.00 96.56 150 A 1 ATOM 1227 C CA . GLU A 1 150 ? 3.618 -6.289 12.845 1.00 96.31 150 A 1 ATOM 1228 C C . GLU A 1 150 ? 2.572 -5.370 12.172 1.00 96.51 150 A 1 ATOM 1229 O O . GLU A 1 150 ? 2.425 -4.206 12.570 1.00 95.26 150 A 1 ATOM 1230 C CB . GLU A 1 150 ? 3.145 -6.726 14.235 1.00 93.94 150 A 1 ATOM 1231 C CG . GLU A 1 150 ? 1.849 -7.527 14.230 1.00 89.53 150 A 1 ATOM 1232 C CD . GLU A 1 150 ? 1.359 -7.719 15.666 1.00 88.56 150 A 1 ATOM 1233 O OE1 . GLU A 1 150 ? 0.296 -7.143 15.997 1.00 79.39 150 A 1 ATOM 1234 O OE2 . GLU A 1 150 ? 2.055 -8.408 16.437 1.00 80.84 150 A 1 ATOM 1235 N N . PRO A 1 151 ? 1.801 -5.856 11.184 1.00 96.67 151 A 1 ATOM 1236 C CA . PRO A 1 151 ? 0.665 -5.129 10.637 1.00 96.04 151 A 1 ATOM 1237 C C . PRO A 1 151 ? -0.433 -4.892 11.684 1.00 95.52 151 A 1 ATOM 1238 O O . PRO A 1 151 ? -0.548 -5.578 12.694 1.00 93.96 151 A 1 ATOM 1239 C CB . PRO A 1 151 ? 0.144 -5.967 9.465 1.00 95.18 151 A 1 ATOM 1240 C CG . PRO A 1 151 ? 1.327 -6.856 9.109 1.00 93.68 151 A 1 ATOM 1241 C CD . PRO A 1 151 ? 2.016 -7.082 10.444 1.00 96.03 151 A 1 ATOM 1242 N N . ARG A 1 152 ? -1.286 -3.899 11.442 1.00 94.25 152 A 1 ATOM 1243 C CA . ARG A 1 152 ? -2.436 -3.643 12.316 1.00 92.25 152 A 1 ATOM 1244 C C . ARG A 1 152 ? -3.540 -4.673 12.075 1.00 91.92 152 A 1 ATOM 1245 O O . ARG A 1 152 ? -3.741 -5.099 10.946 1.00 87.20 152 A 1 ATOM 1246 C CB . ARG A 1 152 ? -2.975 -2.227 12.108 1.00 89.75 152 A 1 ATOM 1247 C CG . ARG A 1 152 ? -1.952 -1.158 12.490 1.00 83.03 152 A 1 ATOM 1248 C CD . ARG A 1 152 ? -2.563 0.226 12.305 1.00 81.10 152 A 1 ATOM 1249 N NE . ARG A 1 152 ? -1.592 1.281 12.649 1.00 76.20 152 A 1 ATOM 1250 C CZ . ARG A 1 152 ? -1.870 2.479 13.127 1.00 68.77 152 A 1 ATOM 1251 N NH1 . ARG A 1 152 ? -3.098 2.877 13.327 1.00 63.72 152 A 1 ATOM 1252 N NH2 . ARG A 1 152 ? -0.904 3.308 13.414 1.00 62.82 152 A 1 ATOM 1253 N N . ASN A 1 153 ? -4.307 -4.963 13.121 1.00 90.38 153 A 1 ATOM 1254 C CA . ASN A 1 153 ? -5.544 -5.750 13.053 1.00 90.26 153 A 1 ATOM 1255 C C . ASN A 1 153 ? -5.366 -7.167 12.471 1.00 92.46 153 A 1 ATOM 1256 O O . ASN A 1 153 ? -6.272 -7.690 11.833 1.00 89.43 153 A 1 ATOM 1257 C CB . ASN A 1 153 ? -6.649 -4.943 12.336 1.00 86.55 153 A 1 ATOM 1258 C CG . ASN A 1 153 ? -6.897 -3.560 12.907 1.00 82.18 153 A 1 ATOM 1259 O OD1 . ASN A 1 153 ? -6.531 -3.212 14.015 1.00 76.76 153 A 1 ATOM 1260 N ND2 . ASN A 1 153 ? -7.525 -2.696 12.144 1.00 75.69 153 A 1 ATOM 1261 N N . VAL A 1 154 ? -4.216 -7.787 12.703 1.00 91.70 154 A 1 ATOM 1262 C CA . VAL A 1 154 ? -3.948 -9.167 12.266 1.00 92.83 154 A 1 ATOM 1263 C C . VAL A 1 154 ? -4.320 -10.221 13.309 1.00 94.09 154 A 1 ATOM 1264 O O . VAL A 1 154 ? -4.300 -11.407 13.007 1.00 93.16 154 A 1 ATOM 1265 C CB . VAL A 1 154 ? -2.490 -9.348 11.807 1.00 92.78 154 A 1 ATOM 1266 C CG1 . VAL A 1 154 ? -2.230 -8.537 10.533 1.00 88.95 154 A 1 ATOM 1267 C CG2 . VAL A 1 154 ? -1.480 -8.943 12.885 1.00 89.51 154 A 1 ATOM 1268 N N . TYR A 1 155 ? -4.708 -9.801 14.523 1.00 93.45 155 A 1 ATOM 1269 C CA . TYR A 1 155 ? -5.150 -10.702 15.586 1.00 93.33 155 A 1 ATOM 1270 C C . TYR A 1 155 ? -6.646 -10.559 15.857 1.00 94.00 155 A 1 ATOM 1271 O O . TYR A 1 155 ? -7.188 -9.451 15.911 1.00 92.82 155 A 1 ATOM 1272 C CB . TYR A 1 155 ? -4.344 -10.487 16.874 1.00 92.60 155 A 1 ATOM 1273 C CG . TYR A 1 155 ? -2.873 -10.821 16.725 1.00 91.59 155 A 1 ATOM 1274 C CD1 . TYR A 1 155 ? -2.403 -12.132 16.958 1.00 88.36 155 A 1 ATOM 1275 C CD2 . TYR A 1 155 ? -1.974 -9.822 16.329 1.00 89.20 155 A 1 ATOM 1276 C CE1 . TYR A 1 155 ? -1.034 -12.442 16.793 1.00 86.41 155 A 1 ATOM 1277 C CE2 . TYR A 1 155 ? -0.610 -10.125 16.159 1.00 87.04 155 A 1 ATOM 1278 C CZ . TYR A 1 155 ? -0.136 -11.436 16.391 1.00 87.98 155 A 1 ATOM 1279 O OH . TYR A 1 155 ? 1.183 -11.714 16.221 1.00 85.29 155 A 1 ATOM 1280 N N . LEU A 1 156 ? -7.286 -11.697 16.086 1.00 92.44 156 A 1 ATOM 1281 C CA . LEU A 1 156 ? -8.585 -11.783 16.732 1.00 92.67 156 A 1 ATOM 1282 C C . LEU A 1 156 ? -8.370 -11.711 18.246 1.00 93.02 156 A 1 ATOM 1283 O O . LEU A 1 156 ? -7.540 -12.436 18.796 1.00 92.15 156 A 1 ATOM 1284 C CB . LEU A 1 156 ? -9.282 -13.089 16.324 1.00 93.08 156 A 1 ATOM 1285 C CG . LEU A 1 156 ? -9.546 -13.219 14.809 1.00 90.78 156 A 1 ATOM 1286 C CD1 . LEU A 1 156 ? -10.134 -14.594 14.502 1.00 87.77 156 A 1 ATOM 1287 C CD2 . LEU A 1 156 ? -10.511 -12.141 14.297 1.00 88.96 156 A 1 ATOM 1288 N N . ILE A 1 157 ? -9.124 -10.828 18.908 1.00 92.41 157 A 1 ATOM 1289 C CA . ILE A 1 157 ? -9.120 -10.699 20.366 1.00 91.67 157 A 1 ATOM 1290 C C . ILE A 1 157 ? -10.385 -11.380 20.882 1.00 92.66 157 A 1 ATOM 1291 O O . ILE A 1 157 ? -11.492 -11.029 20.465 1.00 92.06 157 A 1 ATOM 1292 C CB . ILE A 1 157 ? -9.021 -9.224 20.812 1.00 90.74 157 A 1 ATOM 1293 C CG1 . ILE A 1 157 ? -7.762 -8.549 20.211 1.00 88.43 157 A 1 ATOM 1294 C CG2 . ILE A 1 157 ? -9.006 -9.150 22.349 1.00 88.98 157 A 1 ATOM 1295 C CD1 . ILE A 1 157 ? -7.629 -7.051 20.520 1.00 80.46 157 A 1 ATOM 1296 N N . TYR A 1 158 ? -10.228 -12.337 21.789 1.00 93.90 158 A 1 ATOM 1297 C CA . TYR A 1 158 ? -11.336 -13.011 22.452 1.00 93.63 158 A 1 ATOM 1298 C C . TYR A 1 158 ? -11.037 -13.178 23.940 1.00 94.54 158 A 1 ATOM 1299 O O . TYR A 1 158 ? -9.894 -13.072 24.377 1.00 93.98 158 A 1 ATOM 1300 C CB . TYR A 1 158 ? -11.647 -14.344 21.755 1.00 91.81 158 A 1 ATOM 1301 C CG . TYR A 1 158 ? -10.526 -15.369 21.777 1.00 88.36 158 A 1 ATOM 1302 C CD1 . TYR A 1 158 ? -9.515 -15.330 20.791 1.00 84.32 158 A 1 ATOM 1303 C CD2 . TYR A 1 158 ? -10.495 -16.371 22.768 1.00 85.45 158 A 1 ATOM 1304 C CE1 . TYR A 1 158 ? -8.485 -16.290 20.793 1.00 80.74 158 A 1 ATOM 1305 C CE2 . TYR A 1 158 ? -9.465 -17.330 22.772 1.00 82.10 158 A 1 ATOM 1306 C CZ . TYR A 1 158 ? -8.458 -17.295 21.783 1.00 82.16 158 A 1 ATOM 1307 O OH . TYR A 1 158 ? -7.465 -18.224 21.784 1.00 77.84 158 A 1 ATOM 1308 N N . TYR A 1 159 ? -12.085 -13.415 24.728 1.00 94.56 159 A 1 ATOM 1309 C CA . TYR A 1 159 ? -11.960 -13.591 26.170 1.00 94.56 159 A 1 ATOM 1310 C C . TYR A 1 159 ? -12.274 -15.038 26.530 1.00 94.71 159 A 1 ATOM 1311 O O . TYR A 1 159 ? -13.342 -15.550 26.197 1.00 92.65 159 A 1 ATOM 1312 C CB . TYR A 1 159 ? -12.857 -12.595 26.911 1.00 93.51 159 A 1 ATOM 1313 C CG . TYR A 1 159 ? -12.400 -11.151 26.763 1.00 91.41 159 A 1 ATOM 1314 C CD1 . TYR A 1 159 ? -11.512 -10.594 27.703 1.00 86.34 159 A 1 ATOM 1315 C CD2 . TYR A 1 159 ? -12.833 -10.374 25.664 1.00 87.91 159 A 1 ATOM 1316 C CE1 . TYR A 1 159 ? -11.057 -9.266 27.555 1.00 85.71 159 A 1 ATOM 1317 C CE2 . TYR A 1 159 ? -12.374 -9.051 25.507 1.00 86.28 159 A 1 ATOM 1318 C CZ . TYR A 1 159 ? -11.486 -8.498 26.455 1.00 86.45 159 A 1 ATOM 1319 O OH . TYR A 1 159 ? -11.034 -7.226 26.297 1.00 82.85 159 A 1 ATOM 1320 N N . GLU A 1 160 ? -11.355 -15.676 27.234 1.00 94.01 160 A 1 ATOM 1321 C CA . GLU A 1 160 ? -11.546 -17.016 27.788 1.00 93.85 160 A 1 ATOM 1322 C C . GLU A 1 160 ? -11.186 -16.977 29.273 1.00 93.72 160 A 1 ATOM 1323 O O . GLU A 1 160 ? -10.098 -16.533 29.639 1.00 91.65 160 A 1 ATOM 1324 C CB . GLU A 1 160 ? -10.710 -18.031 26.998 1.00 92.42 160 A 1 ATOM 1325 C CG . GLU A 1 160 ? -11.049 -19.481 27.383 1.00 82.86 160 A 1 ATOM 1326 C CD . GLU A 1 160 ? -10.239 -20.523 26.585 1.00 82.88 160 A 1 ATOM 1327 O OE1 . GLU A 1 160 ? -10.662 -21.695 26.553 1.00 75.56 160 A 1 ATOM 1328 O OE2 . GLU A 1 160 ? -9.142 -20.179 26.085 1.00 78.81 160 A 1 ATOM 1329 N N . ASN A 1 161 ? -12.115 -17.389 30.150 1.00 94.57 161 A 1 ATOM 1330 C CA . ASN A 1 161 ? -11.953 -17.338 31.610 1.00 94.78 161 A 1 ATOM 1331 C C . ASN A 1 161 ? -11.602 -15.933 32.154 1.00 95.13 161 A 1 ATOM 1332 O O . ASN A 1 161 ? -10.820 -15.804 33.088 1.00 93.10 161 A 1 ATOM 1333 C CB . ASN A 1 161 ? -10.964 -18.439 32.054 1.00 94.66 161 A 1 ATOM 1334 C CG . ASN A 1 161 ? -11.391 -19.828 31.613 1.00 92.34 161 A 1 ATOM 1335 O OD1 . ASN A 1 161 ? -12.566 -20.154 31.557 1.00 84.03 161 A 1 ATOM 1336 N ND2 . ASN A 1 161 ? -10.456 -20.680 31.274 1.00 85.49 161 A 1 ATOM 1337 N N . ASN A 1 162 ? -12.185 -14.875 31.575 1.00 94.35 162 A 1 ATOM 1338 C CA . ASN A 1 162 ? -11.876 -13.465 31.861 1.00 94.79 162 A 1 ATOM 1339 C C . ASN A 1 162 ? -10.440 -13.020 31.515 1.00 95.33 162 A 1 ATOM 1340 O O . ASN A 1 162 ? -10.055 -11.905 31.865 1.00 93.65 162 A 1 ATOM 1341 C CB . ASN A 1 162 ? -12.279 -13.078 33.299 1.00 94.10 162 A 1 ATOM 1342 C CG . ASN A 1 162 ? -13.771 -13.102 33.562 1.00 89.26 162 A 1 ATOM 1343 O OD1 . ASN A 1 162 ? -14.608 -13.083 32.673 1.00 81.64 162 A 1 ATOM 1344 N ND2 . ASN A 1 162 ? -14.164 -13.109 34.814 1.00 81.20 162 A 1 ATOM 1345 N N . GLU A 1 163 ? -9.675 -13.824 30.792 1.00 93.67 163 A 1 ATOM 1346 C CA . GLU A 1 163 ? -8.365 -13.446 30.265 1.00 94.02 163 A 1 ATOM 1347 C C . GLU A 1 163 ? -8.475 -13.085 28.778 1.00 93.88 163 A 1 ATOM 1348 O O . GLU A 1 163 ? -9.089 -13.806 27.985 1.00 92.30 163 A 1 ATOM 1349 C CB . GLU A 1 163 ? -7.337 -14.557 30.507 1.00 93.68 163 A 1 ATOM 1350 C CG . GLU A 1 163 ? -7.061 -14.771 32.011 1.00 85.99 163 A 1 ATOM 1351 C CD . GLU A 1 163 ? -5.936 -15.784 32.291 1.00 81.23 163 A 1 ATOM 1352 O OE1 . GLU A 1 163 ? -5.500 -15.836 33.463 1.00 73.80 163 A 1 ATOM 1353 O OE2 . GLU A 1 163 ? -5.505 -16.492 31.349 1.00 76.04 163 A 1 ATOM 1354 N N . GLU A 1 164 ? -7.890 -11.943 28.404 1.00 93.73 164 A 1 ATOM 1355 C CA . GLU A 1 164 ? -7.778 -11.540 27.001 1.00 93.18 164 A 1 ATOM 1356 C C . GLU A 1 164 ? -6.760 -12.440 26.295 1.00 92.89 164 A 1 ATOM 1357 O O . GLU A 1 164 ? -5.581 -12.462 26.650 1.00 91.01 164 A 1 ATOM 1358 C CB . GLU A 1 164 ? -7.380 -10.056 26.886 1.00 92.05 164 A 1 ATOM 1359 C CG . GLU A 1 164 ? -7.382 -9.550 25.428 1.00 87.19 164 A 1 ATOM 1360 C CD . GLU A 1 164 ? -6.903 -8.095 25.294 1.00 86.36 164 A 1 ATOM 1361 O OE1 . GLU A 1 164 ? -5.951 -7.848 24.513 1.00 77.71 164 A 1 ATOM 1362 O OE2 . GLU A 1 164 ? -7.488 -7.213 25.955 1.00 80.89 164 A 1 ATOM 1363 N N . LYS A 1 165 ? -7.210 -13.140 25.260 1.00 94.32 165 A 1 ATOM 1364 C CA . LYS A 1 165 ? -6.368 -13.934 24.369 1.00 93.29 165 A 1 ATOM 1365 C C . LYS A 1 165 ? -6.331 -13.314 22.983 1.00 93.55 165 A 1 ATOM 1366 O O . LYS A 1 165 ? -7.290 -12.681 22.530 1.00 92.44 165 A 1 ATOM 1367 C CB . LYS A 1 165 ? -6.836 -15.392 24.349 1.00 92.52 165 A 1 ATOM 1368 C CG . LYS A 1 165 ? -6.621 -16.067 25.715 1.00 89.36 165 A 1 ATOM 1369 C CD . LYS A 1 165 ? -6.808 -17.583 25.620 1.00 84.48 165 A 1 ATOM 1370 C CE . LYS A 1 165 ? -6.565 -18.213 26.995 1.00 81.09 165 A 1 ATOM 1371 N NZ . LYS A 1 165 ? -6.717 -19.679 26.958 1.00 70.99 165 A 1 ATOM 1372 N N . LYS A 1 166 ? -5.204 -13.504 22.307 1.00 94.25 166 A 1 ATOM 1373 C CA . LYS A 1 166 ? -4.973 -13.044 20.941 1.00 92.53 166 A 1 ATOM 1374 C C . LYS A 1 166 ? -4.592 -14.234 20.077 1.00 93.47 166 A 1 ATOM 1375 O O . LYS A 1 166 ? -3.654 -14.953 20.406 1.00 91.76 166 A 1 ATOM 1376 C CB . LYS A 1 166 ? -3.893 -11.954 20.906 1.00 88.70 166 A 1 ATOM 1377 C CG . LYS A 1 166 ? -4.336 -10.709 21.681 1.00 79.58 166 A 1 ATOM 1378 C CD . LYS A 1 166 ? -3.307 -9.580 21.606 1.00 80.29 166 A 1 ATOM 1379 C CE . LYS A 1 166 ? -3.860 -8.435 22.460 1.00 71.46 166 A 1 ATOM 1380 N NZ . LYS A 1 166 ? -2.933 -7.285 22.538 1.00 67.02 166 A 1 ATOM 1381 N N . GLU A 1 167 ? -5.293 -14.402 18.968 1.00 93.58 167 A 1 ATOM 1382 C CA . GLU A 1 167 ? -4.978 -15.406 17.957 1.00 93.48 167 A 1 ATOM 1383 C C . GLU A 1 167 ? -4.816 -14.719 16.606 1.00 94.52 167 A 1 ATOM 1384 O O . GLU A 1 167 ? -5.569 -13.805 16.268 1.00 93.33 167 A 1 ATOM 1385 C CB . GLU A 1 167 ? -6.063 -16.497 17.930 1.00 91.16 167 A 1 ATOM 1386 C CG . GLU A 1 167 ? -5.675 -17.641 16.980 1.00 79.10 167 A 1 ATOM 1387 C CD . GLU A 1 167 ? -6.676 -18.806 16.945 1.00 80.31 167 A 1 ATOM 1388 O OE1 . GLU A 1 167 ? -6.389 -19.762 16.182 1.00 71.49 167 A 1 ATOM 1389 O OE2 . GLU A 1 167 ? -7.695 -18.753 17.665 1.00 75.21 167 A 1 ATOM 1390 N N . LEU A 1 168 ? -3.825 -15.134 15.833 1.00 94.59 168 A 1 ATOM 1391 C CA . LEU A 1 168 ? -3.626 -14.590 14.496 1.00 95.05 168 A 1 ATOM 1392 C C . LEU A 1 168 ? -4.838 -14.927 13.617 1.00 95.73 168 A 1 ATOM 1393 O O . LEU A 1 168 ? -5.231 -16.091 13.505 1.00 94.57 168 A 1 ATOM 1394 C CB . LEU A 1 168 ? -2.311 -15.139 13.915 1.00 94.11 168 A 1 ATOM 1395 C CG . LEU A 1 168 ? -1.843 -14.371 12.665 1.00 89.52 168 A 1 ATOM 1396 C CD1 . LEU A 1 168 ? -1.260 -13.004 13.020 1.00 85.21 168 A 1 ATOM 1397 C CD2 . LEU A 1 168 ? -0.741 -15.158 11.966 1.00 85.79 168 A 1 ATOM 1398 N N . ASN A 1 169 ? -5.426 -13.914 12.987 1.00 95.90 169 A 1 ATOM 1399 C CA . ASN A 1 169 ? -6.580 -14.088 12.114 1.00 96.11 169 A 1 ATOM 1400 C C . ASN A 1 169 ? -6.156 -14.774 10.809 1.00 96.44 169 A 1 ATOM 1401 O O . ASN A 1 169 ? -5.773 -14.107 9.843 1.00 96.01 169 A 1 ATOM 1402 C CB . ASN A 1 169 ? -7.258 -12.735 11.870 1.00 95.74 169 A 1 ATOM 1403 C CG . ASN A 1 169 ? -8.514 -12.878 11.023 1.00 95.48 169 A 1 ATOM 1404 O OD1 . ASN A 1 169 ? -8.901 -13.954 10.594 1.00 92.66 169 A 1 ATOM 1405 N ND2 . ASN A 1 169 ? -9.200 -11.794 10.759 1.00 92.23 169 A 1 ATOM 1406 N N . LYS A 1 170 ? -6.247 -16.102 10.784 1.00 95.99 170 A 1 ATOM 1407 C CA . LYS A 1 170 ? -5.817 -16.934 9.651 1.00 95.56 170 A 1 ATOM 1408 C C . LYS A 1 170 ? -6.525 -16.592 8.338 1.00 96.58 170 A 1 ATOM 1409 O O . LYS A 1 170 ? -5.951 -16.805 7.275 1.00 95.89 170 A 1 ATOM 1410 C CB . LYS A 1 170 ? -5.999 -18.419 9.996 1.00 94.04 170 A 1 ATOM 1411 C CG . LYS A 1 170 ? -5.081 -18.853 11.149 1.00 89.35 170 A 1 ATOM 1412 C CD . LYS A 1 170 ? -5.250 -20.349 11.444 1.00 83.07 170 A 1 ATOM 1413 C CE . LYS A 1 170 ? -4.346 -20.735 12.617 1.00 77.57 170 A 1 ATOM 1414 N NZ . LYS A 1 170 ? -4.565 -22.139 13.041 1.00 67.54 170 A 1 ATOM 1415 N N . ASP A 1 171 ? -7.711 -16.000 8.381 1.00 96.18 171 A 1 ATOM 1416 C CA . ASP A 1 171 ? -8.439 -15.597 7.175 1.00 96.45 171 A 1 ATOM 1417 C C . ASP A 1 171 ? -7.694 -14.530 6.365 1.00 97.03 171 A 1 ATOM 1418 O O . ASP A 1 171 ? -7.895 -14.430 5.155 1.00 96.28 171 A 1 ATOM 1419 C CB . ASP A 1 171 ? -9.846 -15.101 7.537 1.00 96.04 171 A 1 ATOM 1420 C CG . ASP A 1 171 ? -10.754 -16.201 8.089 1.00 93.43 171 A 1 ATOM 1421 O OD1 . ASP A 1 171 ? -10.513 -17.382 7.754 1.00 89.92 171 A 1 ATOM 1422 O OD2 . ASP A 1 171 ? -11.718 -15.837 8.797 1.00 89.40 171 A 1 ATOM 1423 N N . LEU A 1 172 ? -6.796 -13.782 7.004 1.00 96.92 172 A 1 ATOM 1424 C CA . LEU A 1 172 ? -5.964 -12.766 6.355 1.00 97.11 172 A 1 ATOM 1425 C C . LEU A 1 172 ? -4.741 -13.344 5.633 1.00 97.56 172 A 1 ATOM 1426 O O . LEU A 1 172 ? -4.042 -12.594 4.947 1.00 97.28 172 A 1 ATOM 1427 C CB . LEU A 1 172 ? -5.529 -11.728 7.401 1.00 96.96 172 A 1 ATOM 1428 C CG . LEU A 1 172 ? -6.677 -10.988 8.106 1.00 96.16 172 A 1 ATOM 1429 C CD1 . LEU A 1 172 ? -6.092 -10.028 9.141 1.00 94.86 172 A 1 ATOM 1430 C CD2 . LEU A 1 172 ? -7.531 -10.179 7.127 1.00 94.66 172 A 1 ATOM 1431 N N . PHE A 1 173 ? -4.479 -14.654 5.770 1.00 98.06 173 A 1 ATOM 1432 C CA . PHE A 1 173 ? -3.246 -15.280 5.302 1.00 98.11 173 A 1 ATOM 1433 C C . PHE A 1 173 ? -3.492 -16.498 4.416 1.00 98.13 173 A 1 ATOM 1434 O O . PHE A 1 173 ? -4.489 -17.212 4.546 1.00 97.70 173 A 1 ATOM 1435 C CB . PHE A 1 173 ? -2.354 -15.637 6.502 1.00 97.89 173 A 1 ATOM 1436 C CG . PHE A 1 173 ? -2.017 -14.449 7.382 1.00 97.91 173 A 1 ATOM 1437 C CD1 . PHE A 1 173 ? -0.922 -13.621 7.084 1.00 96.97 173 A 1 ATOM 1438 C CD2 . PHE A 1 173 ? -2.849 -14.135 8.473 1.00 97.18 173 A 1 ATOM 1439 C CE1 . PHE A 1 173 ? -0.670 -12.476 7.857 1.00 96.45 173 A 1 ATOM 1440 C CE2 . PHE A 1 173 ? -2.598 -12.987 9.246 1.00 96.50 173 A 1 ATOM 1441 C CZ . PHE A 1 173 ? -1.513 -12.155 8.933 1.00 96.53 173 A 1 ATOM 1442 N N . ASN A 1 174 ? -2.553 -16.747 3.508 1.00 98.13 174 A 1 ATOM 1443 C CA . ASN A 1 174 ? -2.362 -18.033 2.855 1.00 98.14 174 A 1 ATOM 1444 C C . ASN A 1 174 ? -1.217 -18.763 3.562 1.00 98.38 174 A 1 ATOM 1445 O O . ASN A 1 174 ? -0.180 -18.159 3.822 1.00 98.09 174 A 1 ATOM 1446 C CB . ASN A 1 174 ? -2.038 -17.822 1.373 1.00 97.70 174 A 1 ATOM 1447 C CG . ASN A 1 174 ? -3.160 -17.166 0.597 1.00 96.05 174 A 1 ATOM 1448 O OD1 . ASN A 1 174 ? -4.338 -17.479 0.742 1.00 90.69 174 A 1 ATOM 1449 N ND2 . ASN A 1 174 ? -2.829 -16.236 -0.265 1.00 89.81 174 A 1 ATOM 1450 N N . GLU A 1 175 ? -1.403 -20.045 3.847 1.00 98.25 175 A 1 ATOM 1451 C CA . GLU A 1 175 ? -0.299 -20.893 4.284 1.00 98.25 175 A 1 ATOM 1452 C C . GLU A 1 175 ? 0.505 -21.322 3.051 1.00 98.36 175 A 1 ATOM 1453 O O . GLU A 1 175 ? -0.051 -21.906 2.118 1.00 97.82 175 A 1 ATOM 1454 C CB . GLU A 1 175 ? -0.850 -22.074 5.090 1.00 97.61 175 A 1 ATOM 1455 C CG . GLU A 1 175 ? 0.261 -22.827 5.829 1.00 90.25 175 A 1 ATOM 1456 C CD . GLU A 1 175 ? -0.289 -23.947 6.726 1.00 90.92 175 A 1 ATOM 1457 O OE1 . GLU A 1 175 ? 0.385 -24.995 6.829 1.00 80.90 175 A 1 ATOM 1458 O OE2 . GLU A 1 175 ? -1.369 -23.748 7.327 1.00 83.69 175 A 1 ATOM 1459 N N . VAL A 1 176 ? 1.792 -20.983 3.007 1.00 98.55 176 A 1 ATOM 1460 C CA . VAL A 1 176 ? 2.670 -21.239 1.861 1.00 98.59 176 A 1 ATOM 1461 C C . VAL A 1 176 ? 4.019 -21.787 2.319 1.00 98.66 176 A 1 ATOM 1462 O O . VAL A 1 176 ? 4.549 -21.385 3.348 1.00 98.34 176 A 1 ATOM 1463 C CB . VAL A 1 176 ? 2.859 -19.989 0.969 1.00 98.22 176 A 1 ATOM 1464 C CG1 . VAL A 1 176 ? 1.524 -19.488 0.399 1.00 96.56 176 A 1 ATOM 1465 C CG2 . VAL A 1 176 ? 3.548 -18.821 1.681 1.00 96.14 176 A 1 ATOM 1466 N N . SER A 1 177 ? 4.598 -22.688 1.534 1.00 98.52 177 A 1 ATOM 1467 C CA . SER A 1 177 ? 5.975 -23.171 1.707 1.00 98.50 177 A 1 ATOM 1468 C C . SER A 1 177 ? 6.934 -22.566 0.683 1.00 98.64 177 A 1 ATOM 1469 O O . SER A 1 177 ? 8.143 -22.575 0.882 1.00 98.02 177 A 1 ATOM 1470 C CB . SER A 1 177 ? 6.009 -24.699 1.617 1.00 97.84 177 A 1 ATOM 1471 O OG . SER A 1 177 ? 5.414 -25.138 0.407 1.00 91.58 177 A 1 ATOM 1472 N N . GLU A 1 178 ? 6.392 -22.020 -0.411 1.00 98.66 178 A 1 ATOM 1473 C CA . GLU A 1 178 ? 7.174 -21.301 -1.413 1.00 98.61 178 A 1 ATOM 1474 C C . GLU A 1 178 ? 6.317 -20.273 -2.156 1.00 98.64 178 A 1 ATOM 1475 O O . GLU A 1 178 ? 5.100 -20.411 -2.262 1.00 98.09 178 A 1 ATOM 1476 C CB . GLU A 1 178 ? 7.864 -22.260 -2.402 1.00 97.64 178 A 1 ATOM 1477 C CG . GLU A 1 178 ? 6.920 -23.153 -3.230 1.00 92.41 178 A 1 ATOM 1478 C CD . GLU A 1 178 ? 7.645 -23.898 -4.366 1.00 92.96 178 A 1 ATOM 1479 O OE1 . GLU A 1 178 ? 6.984 -24.216 -5.385 1.00 82.98 178 A 1 ATOM 1480 O OE2 . GLU A 1 178 ? 8.887 -24.074 -4.327 1.00 86.03 178 A 1 ATOM 1481 N N . PHE A 1 179 ? 6.972 -19.257 -2.714 1.00 98.53 179 A 1 ATOM 1482 C CA . PHE A 1 179 ? 6.382 -18.339 -3.686 1.00 98.47 179 A 1 ATOM 1483 C C . PHE A 1 179 ? 7.449 -17.775 -4.626 1.00 98.60 179 A 1 ATOM 1484 O O . PHE A 1 179 ? 8.652 -17.864 -4.383 1.00 98.30 179 A 1 ATOM 1485 C CB . PHE A 1 179 ? 5.595 -17.226 -2.972 1.00 98.02 179 A 1 ATOM 1486 C CG . PHE A 1 179 ? 6.381 -16.414 -1.961 1.00 98.43 179 A 1 ATOM 1487 C CD1 . PHE A 1 179 ? 6.141 -16.606 -0.587 1.00 96.83 179 A 1 ATOM 1488 C CD2 . PHE A 1 179 ? 7.316 -15.452 -2.375 1.00 97.36 179 A 1 ATOM 1489 C CE1 . PHE A 1 179 ? 6.835 -15.835 0.362 1.00 96.35 179 A 1 ATOM 1490 C CE2 . PHE A 1 179 ? 8.018 -14.686 -1.425 1.00 96.60 179 A 1 ATOM 1491 C CZ . PHE A 1 179 ? 7.774 -14.875 -0.052 1.00 97.63 179 A 1 ATOM 1492 N N . MET A 1 180 ? 6.995 -17.154 -5.713 1.00 98.42 180 A 1 ATOM 1493 C CA . MET A 1 180 ? 7.846 -16.510 -6.717 1.00 98.20 180 A 1 ATOM 1494 C C . MET A 1 180 ? 7.648 -14.993 -6.705 1.00 98.24 180 A 1 ATOM 1495 O O . MET A 1 180 ? 6.520 -14.504 -6.755 1.00 97.50 180 A 1 ATOM 1496 C CB . MET A 1 180 ? 7.528 -17.075 -8.107 1.00 97.54 180 A 1 ATOM 1497 C CG . MET A 1 180 ? 7.925 -18.547 -8.274 1.00 91.72 180 A 1 ATOM 1498 S SD . MET A 1 180 ? 9.707 -18.921 -8.232 1.00 87.10 180 A 1 ATOM 1499 C CE . MET A 1 180 ? 10.320 -17.965 -9.645 1.00 75.09 180 A 1 ATOM 1500 N N . ILE A 1 181 ? 8.744 -14.252 -6.733 1.00 98.09 181 A 1 ATOM 1501 C CA . ILE A 1 181 ? 8.750 -12.809 -6.995 1.00 98.15 181 A 1 ATOM 1502 C C . ILE A 1 181 ? 9.645 -12.571 -8.212 1.00 97.94 181 A 1 ATOM 1503 O O . ILE A 1 181 ? 10.869 -12.603 -8.119 1.00 97.51 181 A 1 ATOM 1504 C CB . ILE A 1 181 ? 9.200 -12.003 -5.754 1.00 98.25 181 A 1 ATOM 1505 C CG1 . ILE A 1 181 ? 8.253 -12.245 -4.555 1.00 97.81 181 A 1 ATOM 1506 C CG2 . ILE A 1 181 ? 9.242 -10.498 -6.100 1.00 97.89 181 A 1 ATOM 1507 C CD1 . ILE A 1 181 ? 8.778 -11.681 -3.230 1.00 96.52 181 A 1 ATOM 1508 N N . TYR A 1 182 ? 9.019 -12.340 -9.365 1.00 97.38 182 A 1 ATOM 1509 C CA . TYR A 1 182 ? 9.697 -12.300 -10.663 1.00 96.71 182 A 1 ATOM 1510 C C . TYR A 1 182 ? 10.535 -13.562 -10.913 1.00 96.24 182 A 1 ATOM 1511 O O . TYR A 1 182 ? 9.967 -14.653 -11.012 1.00 94.52 182 A 1 ATOM 1512 C CB . TYR A 1 182 ? 10.474 -10.974 -10.820 1.00 96.41 182 A 1 ATOM 1513 C CG . TYR A 1 182 ? 9.618 -9.727 -10.696 1.00 96.65 182 A 1 ATOM 1514 C CD1 . TYR A 1 182 ? 8.676 -9.435 -11.703 1.00 95.15 182 A 1 ATOM 1515 C CD2 . TYR A 1 182 ? 9.759 -8.869 -9.592 1.00 95.54 182 A 1 ATOM 1516 C CE1 . TYR A 1 182 ? 7.879 -8.281 -11.605 1.00 94.83 182 A 1 ATOM 1517 C CE2 . TYR A 1 182 ? 8.963 -7.711 -9.494 1.00 95.22 182 A 1 ATOM 1518 C CZ . TYR A 1 182 ? 8.024 -7.413 -10.505 1.00 95.79 182 A 1 ATOM 1519 O OH . TYR A 1 182 ? 7.262 -6.293 -10.426 1.00 94.73 182 A 1 ATOM 1520 N N . ASN A 1 183 ? 11.857 -13.445 -11.034 1.00 96.90 183 A 1 ATOM 1521 C CA . ASN A 1 183 ? 12.794 -14.541 -11.255 1.00 96.38 183 A 1 ATOM 1522 C C . ASN A 1 183 ? 13.363 -15.135 -9.953 1.00 97.00 183 A 1 ATOM 1523 O O . ASN A 1 183 ? 14.243 -15.991 -10.021 1.00 96.01 183 A 1 ATOM 1524 C CB . ASN A 1 183 ? 13.915 -14.058 -12.207 1.00 94.87 183 A 1 ATOM 1525 C CG . ASN A 1 183 ? 14.794 -12.959 -11.631 1.00 90.87 183 A 1 ATOM 1526 O OD1 . ASN A 1 183 ? 14.353 -12.122 -10.857 1.00 83.73 183 A 1 ATOM 1527 N ND2 . ASN A 1 183 ? 16.041 -12.887 -12.021 1.00 83.94 183 A 1 ATOM 1528 N N . HIS A 1 184 ? 12.884 -14.709 -8.786 1.00 97.46 184 A 1 ATOM 1529 C CA . HIS A 1 184 ? 13.338 -15.193 -7.488 1.00 97.80 184 A 1 ATOM 1530 C C . HIS A 1 184 ? 12.329 -16.175 -6.897 1.00 98.08 184 A 1 ATOM 1531 O O . HIS A 1 184 ? 11.167 -15.822 -6.675 1.00 97.77 184 A 1 ATOM 1532 C CB . HIS A 1 184 ? 13.574 -14.024 -6.527 1.00 97.60 184 A 1 ATOM 1533 C CG . HIS A 1 184 ? 14.605 -13.044 -7.019 1.00 97.43 184 A 1 ATOM 1534 N ND1 . HIS A 1 184 ? 15.955 -13.097 -6.774 1.00 94.42 184 A 1 ATOM 1535 C CD2 . HIS A 1 184 ? 14.372 -11.947 -7.801 1.00 94.91 184 A 1 ATOM 1536 C CE1 . HIS A 1 184 ? 16.524 -12.050 -7.400 1.00 94.49 184 A 1 ATOM 1537 N NE2 . HIS A 1 184 ? 15.598 -11.323 -8.035 1.00 94.98 184 A 1 ATOM 1538 N N . ARG A 1 185 ? 12.790 -17.391 -6.603 1.00 98.38 185 A 1 ATOM 1539 C CA . ARG A 1 185 ? 12.055 -18.379 -5.811 1.00 98.54 185 A 1 ATOM 1540 C C . ARG A 1 185 ? 12.437 -18.210 -4.346 1.00 98.62 185 A 1 ATOM 1541 O O . ARG A 1 185 ? 13.617 -18.239 -4.007 1.00 98.43 185 A 1 ATOM 1542 C CB . ARG A 1 185 ? 12.370 -19.794 -6.323 1.00 98.43 185 A 1 ATOM 1543 C CG . ARG A 1 185 ? 11.589 -20.882 -5.559 1.00 97.60 185 A 1 ATOM 1544 C CD . ARG A 1 185 ? 11.968 -22.291 -6.022 1.00 96.52 185 A 1 ATOM 1545 N NE . ARG A 1 185 ? 11.568 -22.546 -7.416 1.00 91.46 185 A 1 ATOM 1546 C CZ . ARG A 1 185 ? 10.560 -23.291 -7.821 1.00 88.59 185 A 1 ATOM 1547 N NH1 . ARG A 1 185 ? 9.787 -23.949 -6.999 1.00 81.70 185 A 1 ATOM 1548 N NH2 . ARG A 1 185 ? 10.301 -23.391 -9.091 1.00 82.02 185 A 1 ATOM 1549 N N . VAL A 1 186 ? 11.434 -18.082 -3.489 1.00 98.67 186 A 1 ATOM 1550 C CA . VAL A 1 186 ? 11.584 -18.061 -2.033 1.00 98.71 186 A 1 ATOM 1551 C C . VAL A 1 186 ? 11.014 -19.366 -1.498 1.00 98.72 186 A 1 ATOM 1552 O O . VAL A 1 186 ? 9.841 -19.642 -1.725 1.00 98.56 186 A 1 ATOM 1553 C CB . VAL A 1 186 ? 10.864 -16.853 -1.414 1.00 98.67 186 A 1 ATOM 1554 C CG1 . VAL A 1 186 ? 11.137 -16.784 0.091 1.00 98.24 186 A 1 ATOM 1555 C CG2 . VAL A 1 186 ? 11.312 -15.534 -2.055 1.00 98.27 186 A 1 ATOM 1556 N N . THR A 1 187 ? 11.837 -20.161 -0.808 1.00 98.68 187 A 1 ATOM 1557 C CA . THR A 1 187 ? 11.437 -21.451 -0.230 1.00 98.73 187 A 1 ATOM 1558 C C . THR A 1 187 ? 11.668 -21.437 1.275 1.00 98.74 187 A 1 ATOM 1559 O O . THR A 1 187 ? 12.740 -21.048 1.738 1.00 98.52 187 A 1 ATOM 1560 C CB . THR A 1 187 ? 12.202 -22.619 -0.876 1.00 98.56 187 A 1 ATOM 1561 O OG1 . THR A 1 187 ? 12.074 -22.585 -2.276 1.00 95.48 187 A 1 ATOM 1562 C CG2 . THR A 1 187 ? 11.691 -23.984 -0.415 1.00 95.05 187 A 1 ATOM 1563 N N . PHE A 1 188 ? 10.670 -21.885 2.033 1.00 98.73 188 A 1 ATOM 1564 C CA . PHE A 1 188 ? 10.690 -21.984 3.486 1.00 98.65 188 A 1 ATOM 1565 C C . PHE A 1 188 ? 10.819 -23.453 3.904 1.00 98.56 188 A 1 ATOM 1566 O O . PHE A 1 188 ? 10.175 -24.324 3.325 1.00 98.20 188 A 1 ATOM 1567 C CB . PHE A 1 188 ? 9.422 -21.342 4.060 1.00 98.58 188 A 1 ATOM 1568 C CG . PHE A 1 188 ? 9.230 -19.883 3.673 1.00 98.67 188 A 1 ATOM 1569 C CD1 . PHE A 1 188 ? 9.757 -18.866 4.485 1.00 98.19 188 A 1 ATOM 1570 C CD2 . PHE A 1 188 ? 8.554 -19.548 2.487 1.00 98.30 188 A 1 ATOM 1571 C CE1 . PHE A 1 188 ? 9.615 -17.518 4.111 1.00 97.99 188 A 1 ATOM 1572 C CE2 . PHE A 1 188 ? 8.417 -18.201 2.109 1.00 97.99 188 A 1 ATOM 1573 C CZ . PHE A 1 188 ? 8.950 -17.188 2.921 1.00 98.21 188 A 1 ATOM 1574 N N . GLU A 1 189 ? 11.621 -23.727 4.932 1.00 98.27 189 A 1 ATOM 1575 C CA . GLU A 1 189 ? 11.776 -25.083 5.498 1.00 97.85 189 A 1 ATOM 1576 C C . GLU A 1 189 ? 10.448 -25.626 6.062 1.00 97.70 189 A 1 ATOM 1577 O O . GLU A 1 189 ? 10.184 -26.827 6.031 1.00 96.14 189 A 1 ATOM 1578 C CB . GLU A 1 189 ? 12.836 -25.004 6.610 1.00 96.97 189 A 1 ATOM 1579 C CG . GLU A 1 189 ? 13.216 -26.352 7.247 1.00 91.78 189 A 1 ATOM 1580 C CD . GLU A 1 189 ? 14.083 -26.186 8.509 1.00 93.73 189 A 1 ATOM 1581 O OE1 . GLU A 1 189 ? 14.190 -27.165 9.282 1.00 85.31 189 A 1 ATOM 1582 O OE2 . GLU A 1 189 ? 14.585 -25.064 8.766 1.00 88.77 189 A 1 ATOM 1583 N N . LYS A 1 190 ? 9.605 -24.721 6.573 1.00 97.84 190 A 1 ATOM 1584 C CA . LYS A 1 190 ? 8.263 -25.012 7.091 1.00 97.39 190 A 1 ATOM 1585 C C . LYS A 1 190 ? 7.260 -24.006 6.530 1.00 97.81 190 A 1 ATOM 1586 O O . LYS A 1 190 ? 7.668 -22.904 6.169 1.00 97.16 190 A 1 ATOM 1587 C CB . LYS A 1 190 ? 8.267 -24.943 8.625 1.00 96.04 190 A 1 ATOM 1588 C CG . LYS A 1 190 ? 9.240 -25.920 9.294 1.00 93.41 190 A 1 ATOM 1589 C CD . LYS A 1 190 ? 9.138 -25.735 10.810 1.00 90.27 190 A 1 ATOM 1590 C CE . LYS A 1 190 ? 10.138 -26.609 11.558 1.00 84.57 190 A 1 ATOM 1591 N NZ . LYS A 1 190 ? 10.038 -26.353 13.010 1.00 76.36 190 A 1 ATOM 1592 N N . PRO A 1 191 ? 5.952 -24.337 6.495 1.00 98.14 191 A 1 ATOM 1593 C CA . PRO A 1 191 ? 4.932 -23.397 6.050 1.00 98.04 191 A 1 ATOM 1594 C C . PRO A 1 191 ? 4.933 -22.093 6.860 1.00 98.23 191 A 1 ATOM 1595 O O . PRO A 1 191 ? 5.065 -22.091 8.086 1.00 97.72 191 A 1 ATOM 1596 C CB . PRO A 1 191 ? 3.602 -24.139 6.152 1.00 97.28 191 A 1 ATOM 1597 C CG . PRO A 1 191 ? 4.005 -25.607 6.054 1.00 95.30 191 A 1 ATOM 1598 C CD . PRO A 1 191 ? 5.350 -25.637 6.764 1.00 97.33 191 A 1 ATOM 1599 N N . VAL A 1 192 ? 4.751 -20.981 6.156 1.00 98.55 192 A 1 ATOM 1600 C CA . VAL A 1 192 ? 4.630 -19.624 6.702 1.00 98.58 192 A 1 ATOM 1601 C C . VAL A 1 192 ? 3.287 -19.023 6.313 1.00 98.60 192 A 1 ATOM 1602 O O . VAL A 1 192 ? 2.582 -19.547 5.453 1.00 98.41 192 A 1 ATOM 1603 C CB . VAL A 1 192 ? 5.789 -18.718 6.251 1.00 98.39 192 A 1 ATOM 1604 C CG1 . VAL A 1 192 ? 7.135 -19.225 6.765 1.00 97.54 192 A 1 ATOM 1605 C CG2 . VAL A 1 192 ? 5.852 -18.563 4.725 1.00 97.09 192 A 1 ATOM 1606 N N . LEU A 1 193 ? 2.930 -17.895 6.927 1.00 98.50 193 A 1 ATOM 1607 C CA . LEU A 1 193 ? 1.680 -17.198 6.661 1.00 98.44 193 A 1 ATOM 1608 C C . LEU A 1 193 ? 1.934 -15.964 5.789 1.00 98.54 193 A 1 ATOM 1609 O O . LEU A 1 193 ? 2.427 -14.943 6.263 1.00 98.36 193 A 1 ATOM 1610 C CB . LEU A 1 193 ? 0.993 -16.886 7.999 1.00 98.21 193 A 1 ATOM 1611 C CG . LEU A 1 193 ? 0.585 -18.135 8.810 1.00 97.16 193 A 1 ATOM 1612 C CD1 . LEU A 1 193 ? -0.059 -17.701 10.118 1.00 95.33 193 A 1 ATOM 1613 C CD2 . LEU A 1 193 ? -0.414 -19.022 8.067 1.00 95.07 193 A 1 ATOM 1614 N N . GLU A 1 194 ? 1.582 -16.054 4.502 1.00 98.43 194 A 1 ATOM 1615 C CA . GLU A 1 194 ? 1.656 -14.945 3.543 1.00 98.47 194 A 1 ATOM 1616 C C . GLU A 1 194 ? 0.382 -14.097 3.607 1.00 98.37 194 A 1 ATOM 1617 O O . GLU A 1 194 ? -0.729 -14.607 3.476 1.00 97.95 194 A 1 ATOM 1618 C CB . GLU A 1 194 ? 1.890 -15.492 2.128 1.00 98.35 194 A 1 ATOM 1619 C CG . GLU A 1 194 ? 2.017 -14.362 1.093 1.00 97.53 194 A 1 ATOM 1620 C CD . GLU A 1 194 ? 2.090 -14.860 -0.354 1.00 96.71 194 A 1 ATOM 1621 O OE1 . GLU A 1 194 ? 2.686 -14.130 -1.175 1.00 89.24 194 A 1 ATOM 1622 O OE2 . GLU A 1 194 ? 1.488 -15.915 -0.652 1.00 91.78 194 A 1 ATOM 1623 N N . PHE A 1 195 ? 0.525 -12.789 3.765 1.00 98.20 195 A 1 ATOM 1624 C CA . PHE A 1 195 ? -0.592 -11.849 3.838 1.00 97.97 195 A 1 ATOM 1625 C C . PHE A 1 195 ? -1.292 -11.697 2.475 1.00 97.88 195 A 1 ATOM 1626 O O . PHE A 1 195 ? -0.692 -11.237 1.501 1.00 97.47 195 A 1 ATOM 1627 C CB . PHE A 1 195 ? -0.080 -10.509 4.379 1.00 97.61 195 A 1 ATOM 1628 C CG . PHE A 1 195 ? -1.180 -9.518 4.689 1.00 97.28 195 A 1 ATOM 1629 C CD1 . PHE A 1 195 ? -1.481 -8.482 3.786 1.00 95.06 195 A 1 ATOM 1630 C CD2 . PHE A 1 195 ? -1.906 -9.629 5.886 1.00 95.45 195 A 1 ATOM 1631 C CE1 . PHE A 1 195 ? -2.500 -7.563 4.086 1.00 93.72 195 A 1 ATOM 1632 C CE2 . PHE A 1 195 ? -2.928 -8.709 6.184 1.00 94.18 195 A 1 ATOM 1633 C CZ . PHE A 1 195 ? -3.225 -7.675 5.285 1.00 94.81 195 A 1 ATOM 1634 N N . LYS A 1 196 ? -2.585 -12.025 2.403 1.00 96.74 196 A 1 ATOM 1635 C CA . LYS A 1 196 ? -3.356 -12.146 1.145 1.00 94.80 196 A 1 ATOM 1636 C C . LYS A 1 196 ? -3.517 -10.837 0.374 1.00 92.27 196 A 1 ATOM 1637 O O . LYS A 1 196 ? -3.540 -10.837 -0.853 1.00 86.34 196 A 1 ATOM 1638 C CB . LYS A 1 196 ? -4.763 -12.698 1.453 1.00 93.29 196 A 1 ATOM 1639 C CG . LYS A 1 196 ? -4.749 -14.174 1.861 1.00 91.82 196 A 1 ATOM 1640 C CD . LYS A 1 196 ? -6.148 -14.670 2.256 1.00 91.34 196 A 1 ATOM 1641 C CE . LYS A 1 196 ? -6.067 -16.156 2.623 1.00 87.24 196 A 1 ATOM 1642 N NZ . LYS A 1 196 ? -7.193 -16.611 3.473 1.00 82.32 196 A 1 ATOM 1643 N N . ASN A 1 197 ? -3.710 -9.732 1.080 1.00 94.42 197 A 1 ATOM 1644 C CA . ASN A 1 197 ? -4.233 -8.498 0.486 1.00 92.88 197 A 1 ATOM 1645 C C . ASN A 1 197 ? -3.156 -7.442 0.203 1.00 94.32 197 A 1 ATOM 1646 O O . ASN A 1 197 ? -3.489 -6.282 -0.031 1.00 92.47 197 A 1 ATOM 1647 C CB . ASN A 1 197 ? -5.392 -7.975 1.355 1.00 89.26 197 A 1 ATOM 1648 C CG . ASN A 1 197 ? -6.601 -8.892 1.353 1.00 83.19 197 A 1 ATOM 1649 O OD1 . ASN A 1 197 ? -6.918 -9.572 0.391 1.00 76.14 197 A 1 ATOM 1650 N ND2 . ASN A 1 197 ? -7.347 -8.925 2.433 1.00 74.61 197 A 1 ATOM 1651 N N . LEU A 1 198 ? -1.876 -7.821 0.229 1.00 97.03 198 A 1 ATOM 1652 C CA . LEU A 1 198 ? -0.783 -6.892 -0.049 1.00 97.31 198 A 1 ATOM 1653 C C . LEU A 1 198 ? -0.832 -6.420 -1.510 1.00 97.29 198 A 1 ATOM 1654 O O . LEU A 1 198 ? -0.714 -7.211 -2.444 1.00 96.36 198 A 1 ATOM 1655 C CB . LEU A 1 198 ? 0.558 -7.561 0.290 1.00 97.35 198 A 1 ATOM 1656 C CG . LEU A 1 198 ? 1.760 -6.599 0.228 1.00 97.09 198 A 1 ATOM 1657 C CD1 . LEU A 1 198 ? 1.702 -5.534 1.326 1.00 95.94 198 A 1 ATOM 1658 C CD2 . LEU A 1 198 ? 3.056 -7.386 0.408 1.00 95.84 198 A 1 ATOM 1659 N N . GLN A 1 199 ? -0.970 -5.112 -1.709 1.00 98.14 199 A 1 ATOM 1660 C CA . GLN A 1 199 ? -0.875 -4.488 -3.027 1.00 98.05 199 A 1 ATOM 1661 C C . GLN A 1 199 ? 0.479 -3.797 -3.162 1.00 98.30 199 A 1 ATOM 1662 O O . GLN A 1 199 ? 0.876 -3.040 -2.276 1.00 97.95 199 A 1 ATOM 1663 C CB . GLN A 1 199 ? -2.021 -3.492 -3.232 1.00 97.38 199 A 1 ATOM 1664 C CG . GLN A 1 199 ? -3.408 -4.135 -3.118 1.00 92.31 199 A 1 ATOM 1665 C CD . GLN A 1 199 ? -3.643 -5.199 -4.183 1.00 85.19 199 A 1 ATOM 1666 O OE1 . GLN A 1 199 ? -3.425 -4.988 -5.370 1.00 75.07 199 A 1 ATOM 1667 N NE2 . GLN A 1 199 ? -4.091 -6.375 -3.809 1.00 69.66 199 A 1 ATOM 1668 N N . ILE A 1 200 ? 1.168 -4.040 -4.274 1.00 97.99 200 A 1 ATOM 1669 C CA . ILE A 1 200 ? 2.509 -3.493 -4.513 1.00 98.10 200 A 1 ATOM 1670 C C . ILE A 1 200 ? 2.584 -2.872 -5.902 1.00 97.82 200 A 1 ATOM 1671 O O . ILE A 1 200 ? 2.207 -3.485 -6.902 1.00 96.99 200 A 1 ATOM 1672 C CB . ILE A 1 200 ? 3.619 -4.547 -4.306 1.00 98.10 200 A 1 ATOM 1673 C CG1 . ILE A 1 200 ? 3.415 -5.314 -2.978 1.00 96.92 200 A 1 ATOM 1674 C CG2 . ILE A 1 200 ? 4.998 -3.851 -4.334 1.00 96.86 200 A 1 ATOM 1675 C CD1 . ILE A 1 200 ? 4.442 -6.408 -2.737 1.00 93.20 200 A 1 ATOM 1676 N N . THR A 1 201 ? 3.106 -1.644 -5.985 1.00 97.53 201 A 1 ATOM 1677 C CA . THR A 1 201 ? 3.352 -0.962 -7.264 1.00 96.96 201 A 1 ATOM 1678 C C . THR A 1 201 ? 4.615 -0.105 -7.194 1.00 96.93 201 A 1 ATOM 1679 O O . THR A 1 201 ? 4.855 0.535 -6.176 1.00 95.52 201 A 1 ATOM 1680 C CB . THR A 1 201 ? 2.166 -0.076 -7.684 1.00 95.43 201 A 1 ATOM 1681 O OG1 . THR A 1 201 ? 1.827 0.867 -6.692 1.00 85.23 201 A 1 ATOM 1682 C CG2 . THR A 1 201 ? 0.898 -0.863 -8.003 1.00 85.72 201 A 1 ATOM 1683 N N . PRO A 1 202 ? 5.428 0.019 -8.222 1.00 96.71 202 A 1 ATOM 1684 C CA . PRO A 1 202 ? 5.346 -0.659 -9.514 1.00 96.10 202 A 1 ATOM 1685 C C . PRO A 1 202 ? 5.999 -2.051 -9.528 1.00 96.19 202 A 1 ATOM 1686 O O . PRO A 1 202 ? 5.941 -2.725 -10.552 1.00 92.70 202 A 1 ATOM 1687 C CB . PRO A 1 202 ? 6.060 0.296 -10.473 1.00 94.64 202 A 1 ATOM 1688 C CG . PRO A 1 202 ? 7.177 0.880 -9.606 1.00 94.08 202 A 1 ATOM 1689 C CD . PRO A 1 202 ? 6.524 0.991 -8.235 1.00 95.73 202 A 1 ATOM 1690 N N . GLY A 1 203 ? 6.648 -2.462 -8.430 1.00 96.58 203 A 1 ATOM 1691 C CA . GLY A 1 203 ? 7.344 -3.730 -8.271 1.00 97.11 203 A 1 ATOM 1692 C C . GLY A 1 203 ? 6.448 -4.868 -7.780 1.00 97.64 203 A 1 ATOM 1693 O O . GLY A 1 203 ? 5.235 -4.851 -7.969 1.00 96.94 203 A 1 ATOM 1694 N N . GLY A 1 204 ? 7.071 -5.870 -7.160 1.00 97.69 204 A 1 ATOM 1695 C CA . GLY A 1 204 ? 6.415 -7.026 -6.555 1.00 97.99 204 A 1 ATOM 1696 C C . GLY A 1 204 ? 7.030 -7.367 -5.202 1.00 98.36 204 A 1 ATOM 1697 O O . GLY A 1 204 ? 8.062 -6.816 -4.822 1.00 97.86 204 A 1 ATOM 1698 N N . GLY A 1 205 ? 6.399 -8.276 -4.477 1.00 98.05 205 A 1 ATOM 1699 C CA . GLY A 1 205 ? 6.854 -8.712 -3.168 1.00 98.16 205 A 1 ATOM 1700 C C . GLY A 1 205 ? 5.797 -9.497 -2.405 1.00 98.45 205 A 1 ATOM 1701 O O . GLY A 1 205 ? 4.749 -9.822 -2.949 1.00 98.00 205 A 1 ATOM 1702 N N . ALA A 1 206 ? 6.099 -9.771 -1.141 1.00 98.58 206 A 1 ATOM 1703 C CA . ALA A 1 206 ? 5.224 -10.476 -0.212 1.00 98.70 206 A 1 ATOM 1704 C C . ALA A 1 206 ? 5.456 -9.975 1.219 1.00 98.77 206 A 1 ATOM 1705 O O . ALA A 1 206 ? 6.548 -9.515 1.553 1.00 98.59 206 A 1 ATOM 1706 C CB . ALA A 1 206 ? 5.493 -11.980 -0.329 1.00 98.56 206 A 1 ATOM 1707 N N . LEU A 1 207 ? 4.430 -10.077 2.057 1.00 98.67 207 A 1 ATOM 1708 C CA . LEU A 1 207 ? 4.535 -9.859 3.498 1.00 98.67 207 A 1 ATOM 1709 C C . LEU A 1 207 ? 4.224 -11.177 4.198 1.00 98.66 207 A 1 ATOM 1710 O O . LEU A 1 207 ? 3.156 -11.747 3.992 1.00 98.41 207 A 1 ATOM 1711 C CB . LEU A 1 207 ? 3.585 -8.733 3.921 1.00 98.56 207 A 1 ATOM 1712 C CG . LEU A 1 207 ? 3.523 -8.489 5.440 1.00 98.26 207 A 1 ATOM 1713 C CD1 . LEU A 1 207 ? 4.841 -7.964 6.003 1.00 97.66 207 A 1 ATOM 1714 C CD2 . LEU A 1 207 ? 2.432 -7.455 5.720 1.00 97.56 207 A 1 ATOM 1715 N N . VAL A 1 208 ? 5.158 -11.648 5.017 1.00 98.67 208 A 1 ATOM 1716 C CA . VAL A 1 208 ? 5.129 -12.983 5.606 1.00 98.64 208 A 1 ATOM 1717 C C . VAL A 1 208 ? 5.284 -12.898 7.115 1.00 98.67 208 A 1 ATOM 1718 O O . VAL A 1 208 ? 6.167 -12.207 7.615 1.00 98.28 208 A 1 ATOM 1719 C CB . VAL A 1 208 ? 6.225 -13.864 4.981 1.00 97.93 208 A 1 ATOM 1720 C CG1 . VAL A 1 208 ? 6.310 -15.233 5.648 1.00 94.90 208 A 1 ATOM 1721 C CG2 . VAL A 1 208 ? 5.959 -14.083 3.488 1.00 95.41 208 A 1 ATOM 1722 N N . TYR A 1 209 ? 4.449 -13.641 7.832 1.00 98.41 209 A 1 ATOM 1723 C CA . TYR A 1 209 ? 4.633 -13.958 9.241 1.00 98.30 209 A 1 ATOM 1724 C C . TYR A 1 209 ? 5.332 -15.310 9.385 1.00 98.41 209 A 1 ATOM 1725 O O . TYR A 1 209 ? 4.920 -16.297 8.770 1.00 98.23 209 A 1 ATOM 1726 C CB . TYR A 1 209 ? 3.287 -13.955 9.958 1.00 98.02 209 A 1 ATOM 1727 C CG . TYR A 1 209 ? 3.365 -14.411 11.402 1.00 97.77 209 A 1 ATOM 1728 C CD1 . TYR A 1 209 ? 2.813 -15.650 11.784 1.00 96.76 209 A 1 ATOM 1729 C CD2 . TYR A 1 209 ? 4.003 -13.601 12.360 1.00 96.75 209 A 1 ATOM 1730 C CE1 . TYR A 1 209 ? 2.870 -16.064 13.128 1.00 95.97 209 A 1 ATOM 1731 C CE2 . TYR A 1 209 ? 4.066 -14.016 13.705 1.00 96.02 209 A 1 ATOM 1732 C CZ . TYR A 1 209 ? 3.490 -15.244 14.092 1.00 96.18 209 A 1 ATOM 1733 O OH . TYR A 1 209 ? 3.520 -15.637 15.392 1.00 94.76 209 A 1 ATOM 1734 N N . VAL A 1 210 ? 6.374 -15.358 10.214 1.00 98.38 210 A 1 ATOM 1735 C CA . VAL A 1 210 ? 7.200 -16.542 10.469 1.00 98.34 210 A 1 ATOM 1736 C C . VAL A 1 210 ? 6.830 -17.138 11.835 1.00 98.02 210 A 1 ATOM 1737 O O . VAL A 1 210 ? 7.274 -16.627 12.860 1.00 97.31 210 A 1 ATOM 1738 C CB . VAL A 1 210 ? 8.693 -16.166 10.394 1.00 98.25 210 A 1 ATOM 1739 C CG1 . VAL A 1 210 ? 9.574 -17.394 10.617 1.00 97.45 210 A 1 ATOM 1740 C CG2 . VAL A 1 210 ? 9.060 -15.574 9.024 1.00 97.57 210 A 1 ATOM 1741 N N . PRO A 1 211 ? 6.026 -18.221 11.898 1.00 97.74 211 A 1 ATOM 1742 C CA . PRO A 1 211 ? 5.520 -18.750 13.171 1.00 97.09 211 A 1 ATOM 1743 C C . PRO A 1 211 ? 6.598 -19.444 14.016 1.00 97.00 211 A 1 ATOM 1744 O O . PRO A 1 211 ? 6.485 -19.528 15.237 1.00 95.47 211 A 1 ATOM 1745 C CB . PRO A 1 211 ? 4.397 -19.712 12.775 1.00 96.17 211 A 1 ATOM 1746 C CG . PRO A 1 211 ? 4.789 -20.175 11.370 1.00 95.19 211 A 1 ATOM 1747 C CD . PRO A 1 211 ? 5.451 -18.938 10.771 1.00 97.20 211 A 1 ATOM 1748 N N . GLU A 1 212 ? 7.647 -19.954 13.375 1.00 96.67 212 A 1 ATOM 1749 C CA . GLU A 1 212 ? 8.769 -20.646 14.008 1.00 96.72 212 A 1 ATOM 1750 C C . GLU A 1 212 ? 10.081 -20.298 13.304 1.00 97.59 212 A 1 ATOM 1751 O O . GLU A 1 212 ? 10.107 -20.108 12.097 1.00 95.97 212 A 1 ATOM 1752 C CB . GLU A 1 212 ? 8.575 -22.168 13.952 1.00 93.28 212 A 1 ATOM 1753 C CG . GLU A 1 212 ? 7.354 -22.680 14.729 1.00 82.60 212 A 1 ATOM 1754 C CD . GLU A 1 212 ? 7.273 -24.217 14.760 1.00 83.59 212 A 1 ATOM 1755 O OE1 . GLU A 1 212 ? 6.297 -24.727 15.347 1.00 74.51 212 A 1 ATOM 1756 O OE2 . GLU A 1 212 ? 8.202 -24.897 14.243 1.00 76.21 212 A 1 ATOM 1757 N N . SER A 1 213 ? 11.192 -20.287 14.040 1.00 97.01 213 A 1 ATOM 1758 C CA . SER A 1 213 ? 12.506 -20.106 13.415 1.00 97.10 213 A 1 ATOM 1759 C C . SER A 1 213 ? 12.807 -21.255 12.451 1.00 97.06 213 A 1 ATOM 1760 O O . SER A 1 213 ? 12.688 -22.425 12.820 1.00 95.32 213 A 1 ATOM 1761 C CB . SER A 1 213 ? 13.602 -19.997 14.472 1.00 96.27 213 A 1 ATOM 1762 O OG . SER A 1 213 ? 14.851 -19.701 13.877 1.00 91.17 213 A 1 ATOM 1763 N N . MET A 1 214 ? 13.215 -20.921 11.224 1.00 97.12 214 A 1 ATOM 1764 C CA . MET A 1 214 ? 13.472 -21.874 10.141 1.00 97.21 214 A 1 ATOM 1765 C C . MET A 1 214 ? 14.478 -21.309 9.137 1.00 97.76 214 A 1 ATOM 1766 O O . MET A 1 214 ? 14.779 -20.119 9.159 1.00 96.95 214 A 1 ATOM 1767 C CB . MET A 1 214 ? 12.150 -22.216 9.443 1.00 95.22 214 A 1 ATOM 1768 C CG . MET A 1 214 ? 11.534 -21.026 8.679 1.00 93.72 214 A 1 ATOM 1769 S SD . MET A 1 214 ? 9.877 -21.361 8.034 1.00 93.83 214 A 1 ATOM 1770 C CE . MET A 1 214 ? 8.925 -21.290 9.570 1.00 85.55 214 A 1 ATOM 1771 N N . TYR A 1 215 ? 14.966 -22.159 8.233 1.00 98.20 215 A 1 ATOM 1772 C CA . TYR A 1 215 ? 15.743 -21.685 7.093 1.00 98.26 215 A 1 ATOM 1773 C C . TYR A 1 215 ? 14.830 -21.187 5.972 1.00 98.45 215 A 1 ATOM 1774 O O . TYR A 1 215 ? 13.791 -21.776 5.672 1.00 98.08 215 A 1 ATOM 1775 C CB . TYR A 1 215 ? 16.721 -22.758 6.621 1.00 97.73 215 A 1 ATOM 1776 C CG . TYR A 1 215 ? 17.853 -22.993 7.604 1.00 94.67 215 A 1 ATOM 1777 C CD1 . TYR A 1 215 ? 18.898 -22.055 7.704 1.00 89.67 215 A 1 ATOM 1778 C CD2 . TYR A 1 215 ? 17.858 -24.136 8.428 1.00 90.39 215 A 1 ATOM 1779 C CE1 . TYR A 1 215 ? 19.951 -22.260 8.617 1.00 87.01 215 A 1 ATOM 1780 C CE2 . TYR A 1 215 ? 18.908 -24.345 9.343 1.00 87.34 215 A 1 ATOM 1781 C CZ . TYR A 1 215 ? 19.958 -23.406 9.435 1.00 88.02 215 A 1 ATOM 1782 O OH . TYR A 1 215 ? 20.980 -23.609 10.308 1.00 85.10 215 A 1 ATOM 1783 N N . VAL A 1 216 ? 15.247 -20.083 5.349 1.00 98.45 216 A 1 ATOM 1784 C CA . VAL A 1 216 ? 14.627 -19.502 4.158 1.00 98.60 216 A 1 ATOM 1785 C C . VAL A 1 216 ? 15.686 -19.428 3.074 1.00 98.63 216 A 1 ATOM 1786 O O . VAL A 1 216 ? 16.758 -18.855 3.284 1.00 98.43 216 A 1 ATOM 1787 C CB . VAL A 1 216 ? 14.040 -18.106 4.426 1.00 98.55 216 A 1 ATOM 1788 C CG1 . VAL A 1 216 ? 13.260 -17.610 3.195 1.00 97.80 216 A 1 ATOM 1789 C CG2 . VAL A 1 216 ? 13.093 -18.109 5.630 1.00 97.83 216 A 1 ATOM 1790 N N . LYS A 1 217 ? 15.378 -20.002 1.914 1.00 98.59 217 A 1 ATOM 1791 C CA . LYS A 1 217 ? 16.276 -20.057 0.762 1.00 98.63 217 A 1 ATOM 1792 C C . LYS A 1 217 ? 15.758 -19.167 -0.361 1.00 98.64 217 A 1 ATOM 1793 O O . LYS A 1 217 ? 14.594 -19.264 -0.751 1.00 98.46 217 A 1 ATOM 1794 C CB . LYS A 1 217 ? 16.440 -21.519 0.340 1.00 98.40 217 A 1 ATOM 1795 C CG . LYS A 1 217 ? 17.631 -21.708 -0.603 1.00 94.79 217 A 1 ATOM 1796 C CD . LYS A 1 217 ? 17.698 -23.167 -1.064 1.00 93.54 217 A 1 ATOM 1797 C CE . LYS A 1 217 ? 18.952 -23.385 -1.904 1.00 85.07 217 A 1 ATOM 1798 N NZ . LYS A 1 217 ? 18.828 -24.609 -2.728 1.00 78.47 217 A 1 ATOM 1799 N N . LEU A 1 218 ? 16.628 -18.328 -0.891 1.00 98.62 218 A 1 ATOM 1800 C CA . LEU A 1 218 ? 16.387 -17.494 -2.061 1.00 98.55 218 A 1 ATOM 1801 C C . LEU A 1 218 ? 17.173 -18.070 -3.242 1.00 98.47 218 A 1 ATOM 1802 O O . LEU A 1 218 ? 18.398 -18.204 -3.166 1.00 98.25 218 A 1 ATOM 1803 C CB . LEU A 1 218 ? 16.787 -16.033 -1.790 1.00 98.55 218 A 1 ATOM 1804 C CG . LEU A 1 218 ? 16.283 -15.410 -0.476 1.00 98.20 218 A 1 ATOM 1805 C CD1 . LEU A 1 218 ? 16.769 -13.963 -0.382 1.00 97.77 218 A 1 ATOM 1806 C CD2 . LEU A 1 218 ? 14.762 -15.419 -0.372 1.00 97.74 218 A 1 ATOM 1807 N N . GLU A 1 219 ? 16.483 -18.386 -4.335 1.00 98.37 219 A 1 ATOM 1808 C CA . GLU A 1 219 ? 17.069 -18.954 -5.551 1.00 98.18 219 A 1 ATOM 1809 C C . GLU A 1 219 ? 16.653 -18.148 -6.784 1.00 97.93 219 A 1 ATOM 1810 O O . GLU A 1 219 ? 15.509 -17.721 -6.921 1.00 97.06 219 A 1 ATOM 1811 C CB . GLU A 1 219 ? 16.683 -20.434 -5.700 1.00 97.82 219 A 1 ATOM 1812 C CG . GLU A 1 219 ? 17.201 -21.283 -4.539 1.00 95.43 219 A 1 ATOM 1813 C CD . GLU A 1 219 ? 16.885 -22.770 -4.693 1.00 94.64 219 A 1 ATOM 1814 O OE1 . GLU A 1 219 ? 17.849 -23.543 -4.897 1.00 86.66 219 A 1 ATOM 1815 O OE2 . GLU A 1 219 ? 15.719 -23.155 -4.495 1.00 87.85 219 A 1 ATOM 1816 N N . SER A 1 220 ? 17.596 -17.946 -7.695 1.00 97.76 220 A 1 ATOM 1817 C CA . SER A 1 220 ? 17.354 -17.295 -8.985 1.00 96.90 220 A 1 ATOM 1818 C C . SER A 1 220 ? 18.339 -17.848 -10.014 1.00 96.86 220 A 1 ATOM 1819 O O . SER A 1 220 ? 19.455 -18.221 -9.663 1.00 94.80 220 A 1 ATOM 1820 C CB . SER A 1 220 ? 17.510 -15.779 -8.837 1.00 94.42 220 A 1 ATOM 1821 O OG . SER A 1 220 ? 17.450 -15.130 -10.090 1.00 86.39 220 A 1 ATOM 1822 N N . SER A 1 221 ? 17.940 -17.885 -11.294 1.00 95.96 221 A 1 ATOM 1823 C CA . SER A 1 221 ? 18.836 -18.251 -12.400 1.00 94.71 221 A 1 ATOM 1824 C C . SER A 1 221 ? 20.013 -17.290 -12.565 1.00 94.26 221 A 1 ATOM 1825 O O . SER A 1 221 ? 21.056 -17.677 -13.081 1.00 88.66 221 A 1 ATOM 1826 C CB . SER A 1 221 ? 18.048 -18.284 -13.713 1.00 93.23 221 A 1 ATOM 1827 O OG . SER A 1 221 ? 17.352 -17.067 -13.927 1.00 88.48 221 A 1 ATOM 1828 N N . ASP A 1 222 ? 19.837 -16.048 -12.120 1.00 94.19 222 A 1 ATOM 1829 C CA . ASP A 1 222 ? 20.753 -14.947 -12.435 1.00 92.71 222 A 1 ATOM 1830 C C . ASP A 1 222 ? 21.643 -14.561 -11.243 1.00 93.15 222 A 1 ATOM 1831 O O . ASP A 1 222 ? 22.529 -13.715 -11.364 1.00 87.91 222 A 1 ATOM 1832 C CB . ASP A 1 222 ? 19.930 -13.741 -12.921 1.00 89.26 222 A 1 ATOM 1833 C CG . ASP A 1 222 ? 18.928 -14.082 -14.030 1.00 83.97 222 A 1 ATOM 1834 O OD1 . ASP A 1 222 ? 19.195 -15.004 -14.832 1.00 78.40 222 A 1 ATOM 1835 O OD2 . ASP A 1 222 ? 17.837 -13.475 -14.003 1.00 78.71 222 A 1 ATOM 1836 N N . HIS A 1 223 ? 21.404 -15.170 -10.071 1.00 94.29 223 A 1 ATOM 1837 C CA . HIS A 1 223 ? 22.089 -14.839 -8.822 1.00 94.65 223 A 1 ATOM 1838 C C . HIS A 1 223 ? 22.435 -16.104 -8.033 1.00 95.89 223 A 1 ATOM 1839 O O . HIS A 1 223 ? 21.722 -17.101 -8.087 1.00 93.75 223 A 1 ATOM 1840 C CB . HIS A 1 223 ? 21.207 -13.898 -7.984 1.00 92.73 223 A 1 ATOM 1841 C CG . HIS A 1 223 ? 20.823 -12.625 -8.701 1.00 92.65 223 A 1 ATOM 1842 N ND1 . HIS A 1 223 ? 21.692 -11.697 -9.220 1.00 84.58 223 A 1 ATOM 1843 C CD2 . HIS A 1 223 ? 19.554 -12.204 -8.995 1.00 85.85 223 A 1 ATOM 1844 C CE1 . HIS A 1 223 ? 20.961 -10.744 -9.832 1.00 86.23 223 A 1 ATOM 1845 N NE2 . HIS A 1 223 ? 19.655 -11.006 -9.706 1.00 87.65 223 A 1 ATOM 1846 N N . GLN A 1 224 ? 23.520 -16.040 -7.245 1.00 95.75 224 A 1 ATOM 1847 C CA . GLN A 1 224 ? 23.851 -17.111 -6.308 1.00 96.20 224 A 1 ATOM 1848 C C . GLN A 1 224 ? 22.718 -17.303 -5.296 1.00 96.78 224 A 1 ATOM 1849 O O . GLN A 1 224 ? 22.065 -16.338 -4.892 1.00 95.45 224 A 1 ATOM 1850 C CB . GLN A 1 224 ? 25.173 -16.814 -5.586 1.00 95.36 224 A 1 ATOM 1851 C CG . GLN A 1 224 ? 26.380 -16.902 -6.538 1.00 87.15 224 A 1 ATOM 1852 C CD . GLN A 1 224 ? 27.715 -16.679 -5.834 1.00 80.39 224 A 1 ATOM 1853 O OE1 . GLN A 1 224 ? 27.807 -16.246 -4.702 1.00 73.05 224 A 1 ATOM 1854 N NE2 . GLN A 1 224 ? 28.820 -16.954 -6.490 1.00 69.31 224 A 1 ATOM 1855 N N . SER A 1 225 ? 22.502 -18.554 -4.877 1.00 97.70 225 A 1 ATOM 1856 C CA . SER A 1 225 ? 21.533 -18.857 -3.823 1.00 98.00 225 A 1 ATOM 1857 C C . SER A 1 225 ? 21.957 -18.215 -2.506 1.00 98.20 225 A 1 ATOM 1858 O O . SER A 1 225 ? 23.134 -18.280 -2.137 1.00 97.10 225 A 1 ATOM 1859 C CB . SER A 1 225 ? 21.382 -20.370 -3.637 1.00 96.86 225 A 1 ATOM 1860 O OG . SER A 1 225 ? 22.632 -20.945 -3.307 1.00 83.76 225 A 1 ATOM 1861 N N . VAL A 1 226 ? 21.001 -17.669 -1.780 1.00 98.15 226 A 1 ATOM 1862 C CA . VAL A 1 226 ? 21.203 -17.077 -0.456 1.00 98.33 226 A 1 ATOM 1863 C C . VAL A 1 226 ? 20.292 -17.789 0.536 1.00 98.59 226 A 1 ATOM 1864 O O . VAL A 1 226 ? 19.132 -18.050 0.235 1.00 98.16 226 A 1 ATOM 1865 C CB . VAL A 1 226 ? 20.941 -15.558 -0.481 1.00 97.67 226 A 1 ATOM 1866 C CG1 . VAL A 1 226 ? 21.138 -14.924 0.902 1.00 95.78 226 A 1 ATOM 1867 C CG2 . VAL A 1 226 ? 21.889 -14.841 -1.452 1.00 95.98 226 A 1 ATOM 1868 N N . GLU A 1 227 ? 20.827 -18.087 1.719 1.00 98.56 227 A 1 ATOM 1869 C CA . GLU A 1 227 ? 20.071 -18.689 2.813 1.00 98.50 227 A 1 ATOM 1870 C C . GLU A 1 227 ? 20.195 -17.815 4.062 1.00 98.55 227 A 1 ATOM 1871 O O . GLU A 1 227 ? 21.259 -17.265 4.353 1.00 97.83 227 A 1 ATOM 1872 C CB . GLU A 1 227 ? 20.559 -20.123 3.049 1.00 97.45 227 A 1 ATOM 1873 C CG . GLU A 1 227 ? 19.623 -20.921 3.963 1.00 85.04 227 A 1 ATOM 1874 C CD . GLU A 1 227 ? 20.139 -22.354 4.123 1.00 86.97 227 A 1 ATOM 1875 O OE1 . GLU A 1 227 ? 20.719 -22.639 5.190 1.00 77.18 227 A 1 ATOM 1876 O OE2 . GLU A 1 227 ? 19.983 -23.134 3.158 1.00 79.82 227 A 1 ATOM 1877 N N . PHE A 1 228 ? 19.093 -17.674 4.794 1.00 98.49 228 A 1 ATOM 1878 C CA . PHE A 1 228 ? 19.061 -16.958 6.066 1.00 98.49 228 A 1 ATOM 1879 C C . PHE A 1 228 ? 18.043 -17.600 7.010 1.00 98.56 228 A 1 ATOM 1880 O O . PHE A 1 228 ? 17.213 -18.410 6.594 1.00 98.31 228 A 1 ATOM 1881 C CB . PHE A 1 228 ? 18.777 -15.464 5.832 1.00 98.39 228 A 1 ATOM 1882 C CG . PHE A 1 228 ? 17.376 -15.148 5.353 1.00 98.69 228 A 1 ATOM 1883 C CD1 . PHE A 1 228 ? 17.036 -15.298 3.994 1.00 98.20 228 A 1 ATOM 1884 C CD2 . PHE A 1 228 ? 16.403 -14.699 6.267 1.00 98.38 228 A 1 ATOM 1885 C CE1 . PHE A 1 228 ? 15.736 -15.002 3.555 1.00 98.00 228 A 1 ATOM 1886 C CE2 . PHE A 1 228 ? 15.103 -14.401 5.827 1.00 98.11 228 A 1 ATOM 1887 C CZ . PHE A 1 228 ? 14.766 -14.552 4.469 1.00 98.42 228 A 1 ATOM 1888 N N . ARG A 1 229 ? 18.132 -17.259 8.293 1.00 98.41 229 A 1 ATOM 1889 C CA . ARG A 1 229 ? 17.289 -17.845 9.337 1.00 98.34 229 A 1 ATOM 1890 C C . ARG A 1 229 ? 16.604 -16.749 10.155 1.00 98.31 229 A 1 ATOM 1891 O O . ARG A 1 229 ? 17.234 -16.213 11.066 1.00 97.31 229 A 1 ATOM 1892 C CB . ARG A 1 229 ? 18.141 -18.796 10.187 1.00 97.74 229 A 1 ATOM 1893 C CG . ARG A 1 229 ? 17.259 -19.601 11.144 1.00 91.94 229 A 1 ATOM 1894 C CD . ARG A 1 229 ? 18.103 -20.615 11.913 1.00 90.19 229 A 1 ATOM 1895 N NE . ARG A 1 229 ? 17.250 -21.420 12.805 1.00 81.91 229 A 1 ATOM 1896 C CZ . ARG A 1 229 ? 17.579 -22.555 13.393 1.00 76.37 229 A 1 ATOM 1897 N NH1 . ARG A 1 229 ? 18.773 -23.073 13.282 1.00 69.18 229 A 1 ATOM 1898 N NH2 . ARG A 1 229 ? 16.697 -23.191 14.106 1.00 67.39 229 A 1 ATOM 1899 N N . PRO A 1 230 ? 15.343 -16.406 9.852 1.00 98.49 230 A 1 ATOM 1900 C CA . PRO A 1 230 ? 14.560 -15.500 10.684 1.00 98.25 230 A 1 ATOM 1901 C C . PRO A 1 230 ? 14.220 -16.144 12.032 1.00 98.16 230 A 1 ATOM 1902 O O . PRO A 1 230 ? 14.233 -17.376 12.198 1.00 97.59 230 A 1 ATOM 1903 C CB . PRO A 1 230 ? 13.306 -15.169 9.873 1.00 97.93 230 A 1 ATOM 1904 C CG . PRO A 1 230 ? 13.105 -16.423 9.028 1.00 97.43 230 A 1 ATOM 1905 C CD . PRO A 1 230 ? 14.535 -16.878 8.735 1.00 98.27 230 A 1 ATOM 1906 N N . SER A 1 231 ? 13.909 -15.292 12.996 1.00 98.00 231 A 1 ATOM 1907 C CA . SER A 1 231 ? 13.433 -15.704 14.312 1.00 97.71 231 A 1 ATOM 1908 C C . SER A 1 231 ? 11.939 -16.029 14.273 1.00 97.82 231 A 1 ATOM 1909 O O . SER A 1 231 ? 11.207 -15.644 13.358 1.00 96.87 231 A 1 ATOM 1910 C CB . SER A 1 231 ? 13.724 -14.616 15.346 1.00 96.95 231 A 1 ATOM 1911 O OG . SER A 1 231 ? 15.120 -14.397 15.426 1.00 92.24 231 A 1 ATOM 1912 N N . ARG A 1 232 ? 11.480 -16.743 15.285 1.00 97.82 232 A 1 ATOM 1913 C CA . ARG A 1 232 ? 10.049 -16.903 15.543 1.00 97.68 232 A 1 ATOM 1914 C C . ARG A 1 232 ? 9.393 -15.531 15.736 1.00 97.55 232 A 1 ATOM 1915 O O . ARG A 1 232 ? 9.981 -14.669 16.388 1.00 95.79 232 A 1 ATOM 1916 C CB . ARG A 1 232 ? 9.869 -17.795 16.779 1.00 96.83 232 A 1 ATOM 1917 C CG . ARG A 1 232 ? 8.392 -17.937 17.137 1.00 94.56 232 A 1 ATOM 1918 C CD . ARG A 1 232 ? 8.193 -18.769 18.387 1.00 91.68 232 A 1 ATOM 1919 N NE . ARG A 1 232 ? 6.784 -18.669 18.789 1.00 83.96 232 A 1 ATOM 1920 C CZ . ARG A 1 232 ? 6.135 -19.470 19.604 1.00 78.39 232 A 1 ATOM 1921 N NH1 . ARG A 1 232 ? 6.722 -20.468 20.207 1.00 71.84 232 A 1 ATOM 1922 N NH2 . ARG A 1 232 ? 4.868 -19.263 19.813 1.00 70.68 232 A 1 ATOM 1923 N N . ASP A 1 233 ? 8.177 -15.401 15.234 1.00 96.92 233 A 1 ATOM 1924 C CA . ASP A 1 233 ? 7.333 -14.204 15.296 1.00 96.63 233 A 1 ATOM 1925 C C . ASP A 1 233 ? 7.879 -13.001 14.491 1.00 97.08 233 A 1 ATOM 1926 O O . ASP A 1 233 ? 7.352 -11.894 14.593 1.00 96.24 233 A 1 ATOM 1927 C CB . ASP A 1 233 ? 6.924 -13.883 16.756 1.00 95.57 233 A 1 ATOM 1928 C CG . ASP A 1 233 ? 6.280 -15.074 17.495 1.00 93.83 233 A 1 ATOM 1929 O OD1 . ASP A 1 233 ? 5.395 -15.744 16.919 1.00 90.92 233 A 1 ATOM 1930 O OD2 . ASP A 1 233 ? 6.658 -15.354 18.656 1.00 90.09 233 A 1 ATOM 1931 N N . ASP A 1 234 ? 8.892 -13.210 13.637 1.00 97.35 234 A 1 ATOM 1932 C CA . ASP A 1 234 ? 9.339 -12.178 12.703 1.00 97.76 234 A 1 ATOM 1933 C C . ASP A 1 234 ? 8.288 -11.917 11.611 1.00 98.01 234 A 1 ATOM 1934 O O . ASP A 1 234 ? 7.643 -12.827 11.073 1.00 97.80 234 A 1 ATOM 1935 C CB . ASP A 1 234 ? 10.695 -12.527 12.048 1.00 97.67 234 A 1 ATOM 1936 C CG . ASP A 1 234 ? 11.940 -12.213 12.892 1.00 97.19 234 A 1 ATOM 1937 O OD1 . ASP A 1 234 ? 11.858 -11.378 13.820 1.00 95.53 234 A 1 ATOM 1938 O OD2 . ASP A 1 234 ? 13.025 -12.726 12.527 1.00 95.44 234 A 1 ATOM 1939 N N . TRP A 1 235 ? 8.184 -10.644 11.222 1.00 98.13 235 A 1 ATOM 1940 C CA . TRP A 1 235 ? 7.455 -10.188 10.048 1.00 98.23 235 A 1 ATOM 1941 C C . TRP A 1 235 ? 8.450 -9.792 8.963 1.00 98.38 235 A 1 ATOM 1942 O O . TRP A 1 235 ? 9.234 -8.851 9.136 1.00 98.10 235 A 1 ATOM 1943 C CB . TRP A 1 235 ? 6.529 -9.036 10.425 1.00 98.00 235 A 1 ATOM 1944 C CG . TRP A 1 235 ? 5.343 -9.445 11.239 1.00 97.79 235 A 1 ATOM 1945 C CD1 . TRP A 1 235 ? 5.297 -9.542 12.586 1.00 96.96 235 A 1 ATOM 1946 C CD2 . TRP A 1 235 ? 4.029 -9.853 10.760 1.00 97.40 235 A 1 ATOM 1947 N NE1 . TRP A 1 235 ? 4.047 -9.973 12.976 1.00 96.38 235 A 1 ATOM 1948 C CE2 . TRP A 1 235 ? 3.221 -10.185 11.888 1.00 96.86 235 A 1 ATOM 1949 C CE3 . TRP A 1 235 ? 3.444 -9.983 9.481 1.00 96.84 235 A 1 ATOM 1950 C CZ2 . TRP A 1 235 ? 1.896 -10.622 11.753 1.00 95.93 235 A 1 ATOM 1951 C CZ3 . TRP A 1 235 ? 2.116 -10.417 9.335 1.00 95.99 235 A 1 ATOM 1952 C CH2 . TRP A 1 235 ? 1.339 -10.740 10.469 1.00 95.39 235 A 1 ATOM 1953 N N . LEU A 1 236 ? 8.404 -10.493 7.843 1.00 98.63 236 A 1 ATOM 1954 C CA . LEU A 1 236 ? 9.308 -10.280 6.720 1.00 98.71 236 A 1 ATOM 1955 C C . LEU A 1 236 ? 8.569 -9.631 5.552 1.00 98.76 236 A 1 ATOM 1956 O O . LEU A 1 236 ? 7.581 -10.166 5.050 1.00 98.64 236 A 1 ATOM 1957 C CB . LEU A 1 236 ? 9.957 -11.607 6.302 1.00 98.70 236 A 1 ATOM 1958 C CG . LEU A 1 236 ? 10.761 -12.327 7.400 1.00 98.41 236 A 1 ATOM 1959 C CD1 . LEU A 1 236 ? 11.349 -13.603 6.796 1.00 97.99 236 A 1 ATOM 1960 C CD2 . LEU A 1 236 ? 11.906 -11.475 7.954 1.00 97.90 236 A 1 ATOM 1961 N N . LEU A 1 237 ? 9.087 -8.502 5.083 1.00 98.66 237 A 1 ATOM 1962 C CA . LEU A 1 237 ? 8.654 -7.864 3.847 1.00 98.71 237 A 1 ATOM 1963 C C . LEU A 1 237 ? 9.665 -8.171 2.743 1.00 98.74 237 A 1 ATOM 1964 O O . LEU A 1 237 ? 10.802 -7.701 2.781 1.00 98.61 237 A 1 ATOM 1965 C CB . LEU A 1 237 ? 8.488 -6.355 4.084 1.00 98.64 237 A 1 ATOM 1966 C CG . LEU A 1 237 ? 8.027 -5.578 2.839 1.00 98.36 237 A 1 ATOM 1967 C CD1 . LEU A 1 237 ? 6.562 -5.877 2.506 1.00 97.75 237 A 1 ATOM 1968 C CD2 . LEU A 1 237 ? 8.179 -4.080 3.091 1.00 97.60 237 A 1 ATOM 1969 N N . PHE A 1 238 ? 9.230 -8.918 1.743 1.00 98.78 238 A 1 ATOM 1970 C CA . PHE A 1 238 ? 9.961 -9.139 0.505 1.00 98.78 238 A 1 ATOM 1971 C C . PHE A 1 238 ? 9.616 -8.022 -0.474 1.00 98.71 238 A 1 ATOM 1972 O O . PHE A 1 238 ? 8.437 -7.737 -0.691 1.00 98.46 238 A 1 ATOM 1973 C CB . PHE A 1 238 ? 9.622 -10.520 -0.060 1.00 98.79 238 A 1 ATOM 1974 C CG . PHE A 1 238 ? 10.056 -11.669 0.837 1.00 98.82 238 A 1 ATOM 1975 C CD1 . PHE A 1 238 ? 11.234 -12.384 0.546 1.00 98.48 238 A 1 ATOM 1976 C CD2 . PHE A 1 238 ? 9.301 -12.011 1.977 1.00 98.54 238 A 1 ATOM 1977 C CE1 . PHE A 1 238 ? 11.657 -13.424 1.391 1.00 98.41 238 A 1 ATOM 1978 C CE2 . PHE A 1 238 ? 9.732 -13.045 2.828 1.00 98.42 238 A 1 ATOM 1979 C CZ . PHE A 1 238 ? 10.910 -13.752 2.535 1.00 98.68 238 A 1 ATOM 1980 N N . SER A 1 239 ? 10.613 -7.384 -1.059 1.00 98.73 239 A 1 ATOM 1981 C CA . SER A 1 239 ? 10.426 -6.299 -2.021 1.00 98.71 239 A 1 ATOM 1982 C C . SER A 1 239 ? 11.393 -6.420 -3.182 1.00 98.66 239 A 1 ATOM 1983 O O . SER A 1 239 ? 12.607 -6.489 -2.994 1.00 98.28 239 A 1 ATOM 1984 C CB . SER A 1 239 ? 10.596 -4.938 -1.348 1.00 98.50 239 A 1 ATOM 1985 O OG . SER A 1 239 ? 10.340 -3.924 -2.309 1.00 97.38 239 A 1 ATOM 1986 N N . HIS A 1 240 ? 10.847 -6.394 -4.392 1.00 98.39 240 A 1 ATOM 1987 C CA . HIS A 1 240 ? 11.612 -6.349 -5.628 1.00 98.23 240 A 1 ATOM 1988 C C . HIS A 1 240 ? 11.102 -5.195 -6.506 1.00 97.94 240 A 1 ATOM 1989 O O . HIS A 1 240 ? 9.908 -5.142 -6.824 1.00 97.29 240 A 1 ATOM 1990 C CB . HIS A 1 240 ? 11.532 -7.710 -6.329 1.00 97.96 240 A 1 ATOM 1991 C CG . HIS A 1 240 ? 12.493 -7.842 -7.488 1.00 97.78 240 A 1 ATOM 1992 N ND1 . HIS A 1 240 ? 12.492 -7.079 -8.637 1.00 95.58 240 A 1 ATOM 1993 C CD2 . HIS A 1 240 ? 13.525 -8.727 -7.603 1.00 95.51 240 A 1 ATOM 1994 C CE1 . HIS A 1 240 ? 13.509 -7.486 -9.416 1.00 95.21 240 A 1 ATOM 1995 N NE2 . HIS A 1 240 ? 14.161 -8.498 -8.827 1.00 95.52 240 A 1 ATOM 1996 N N . PRO A 1 241 ? 11.962 -4.247 -6.932 1.00 97.67 241 A 1 ATOM 1997 C CA . PRO A 1 241 ? 11.558 -3.204 -7.865 1.00 97.20 241 A 1 ATOM 1998 C C . PRO A 1 241 ? 11.125 -3.820 -9.200 1.00 97.19 241 A 1 ATOM 1999 O O . PRO A 1 241 ? 11.559 -4.910 -9.576 1.00 96.33 241 A 1 ATOM 2000 C CB . PRO A 1 241 ? 12.778 -2.293 -8.021 1.00 96.35 241 A 1 ATOM 2001 C CG . PRO A 1 241 ? 13.950 -3.229 -7.747 1.00 94.98 241 A 1 ATOM 2002 C CD . PRO A 1 241 ? 13.393 -4.177 -6.685 1.00 96.86 241 A 1 ATOM 2003 N N . ARG A 1 242 ? 10.281 -3.124 -9.952 1.00 96.61 242 A 1 ATOM 2004 C CA . ARG A 1 242 ? 9.871 -3.602 -11.278 1.00 96.02 242 A 1 ATOM 2005 C C . ARG A 1 242 ? 11.112 -3.824 -12.148 1.00 95.93 242 A 1 ATOM 2006 O O . ARG A 1 242 ? 11.869 -2.865 -12.328 1.00 94.20 242 A 1 ATOM 2007 C CB . ARG A 1 242 ? 8.902 -2.601 -11.917 1.00 94.62 242 A 1 ATOM 2008 C CG . ARG A 1 242 ? 8.372 -3.123 -13.257 1.00 90.67 242 A 1 ATOM 2009 C CD . ARG A 1 242 ? 7.364 -2.138 -13.844 1.00 86.70 242 A 1 ATOM 2010 N NE . ARG A 1 242 ? 6.849 -2.612 -15.141 1.00 78.34 242 A 1 ATOM 2011 C CZ . ARG A 1 242 ? 5.869 -2.063 -15.839 1.00 70.12 242 A 1 ATOM 2012 N NH1 . ARG A 1 242 ? 5.250 -0.991 -15.424 1.00 65.16 242 A 1 ATOM 2013 N NH2 . ARG A 1 242 ? 5.490 -2.588 -16.965 1.00 63.01 242 A 1 ATOM 2014 N N . PRO A 1 243 ? 11.302 -5.023 -12.733 1.00 95.51 243 A 1 ATOM 2015 C CA . PRO A 1 243 ? 12.405 -5.259 -13.656 1.00 94.15 243 A 1 ATOM 2016 C C . PRO A 1 243 ? 12.377 -4.235 -14.792 1.00 93.01 243 A 1 ATOM 2017 O O . PRO A 1 243 ? 11.321 -3.948 -15.372 1.00 89.64 243 A 1 ATOM 2018 C CB . PRO A 1 243 ? 12.244 -6.694 -14.164 1.00 92.58 243 A 1 ATOM 2019 C CG . PRO A 1 243 ? 11.492 -7.374 -13.023 1.00 91.83 243 A 1 ATOM 2020 C CD . PRO A 1 243 ? 10.582 -6.259 -12.501 1.00 94.24 243 A 1 ATOM 2021 N N . ARG A 1 244 ? 13.541 -3.667 -15.096 1.00 90.85 244 A 1 ATOM 2022 C CA . ARG A 1 244 ? 13.680 -2.836 -16.295 1.00 88.13 244 A 1 ATOM 2023 C C . ARG A 1 244 ? 13.513 -3.759 -17.500 1.00 87.30 244 A 1 ATOM 2024 O O . ARG A 1 244 ? 14.125 -4.820 -17.541 1.00 81.19 244 A 1 ATOM 2025 C CB . ARG A 1 244 ? 15.028 -2.098 -16.311 1.00 83.67 244 A 1 ATOM 2026 C CG . ARG A 1 244 ? 15.115 -1.040 -15.195 1.00 72.55 244 A 1 ATOM 2027 C CD . ARG A 1 244 ? 16.435 -0.263 -15.278 1.00 69.77 244 A 1 ATOM 2028 N NE . ARG A 1 244 ? 16.541 0.750 -14.210 1.00 61.67 244 A 1 ATOM 2029 C CZ . ARG A 1 244 ? 17.566 1.564 -13.993 1.00 54.41 244 A 1 ATOM 2030 N NH1 . ARG A 1 244 ? 18.632 1.555 -14.742 1.00 51.36 244 A 1 ATOM 2031 N NH2 . ARG A 1 244 ? 17.538 2.409 -13.000 1.00 47.96 244 A 1 ATOM 2032 N N . ARG A 1 245 ? 12.690 -3.376 -18.477 1.00 83.14 245 A 1 ATOM 2033 C CA . ARG A 1 245 ? 12.710 -4.049 -19.780 1.00 79.98 245 A 1 ATOM 2034 C C . ARG A 1 245 ? 14.137 -3.916 -20.303 1.00 78.16 245 A 1 ATOM 2035 O O . ARG A 1 245 ? 14.631 -2.788 -20.392 1.00 71.66 245 A 1 ATOM 2036 C CB . ARG A 1 245 ? 11.693 -3.432 -20.759 1.00 75.97 245 A 1 ATOM 2037 C CG . ARG A 1 245 ? 10.250 -3.845 -20.435 1.00 67.76 245 A 1 ATOM 2038 C CD . ARG A 1 245 ? 9.285 -3.248 -21.470 1.00 63.73 245 A 1 ATOM 2039 N NE . ARG A 1 245 ? 7.900 -3.720 -21.271 1.00 57.61 245 A 1 ATOM 2040 C CZ . ARG A 1 245 ? 6.841 -3.341 -21.972 1.00 50.34 245 A 1 ATOM 2041 N NH1 . ARG A 1 245 ? 6.914 -2.431 -22.901 1.00 48.93 245 A 1 ATOM 2042 N NH2 . ARG A 1 245 ? 5.675 -3.884 -21.755 1.00 46.41 245 A 1 ATOM 2043 N N . SER A 1 246 ? 14.806 -5.046 -20.548 1.00 75.08 246 A 1 ATOM 2044 C CA . SER A 1 246 ? 16.055 -5.055 -21.303 1.00 73.34 246 A 1 ATOM 2045 C C . SER A 1 246 ? 15.767 -4.360 -22.629 1.00 71.30 246 A 1 ATOM 2046 O O . SER A 1 246 ? 14.881 -4.792 -23.376 1.00 63.21 246 A 1 ATOM 2047 C CB . SER A 1 246 ? 16.557 -6.491 -21.505 1.00 69.01 246 A 1 ATOM 2048 O OG . SER A 1 246 ? 15.503 -7.329 -21.920 1.00 61.77 246 A 1 ATOM 2049 N N . GLY A 1 247 ? 16.402 -3.231 -22.849 1.00 59.39 247 A 1 ATOM 2050 C CA . GLY A 1 247 ? 16.144 -2.392 -24.005 1.00 57.56 247 A 1 ATOM 2051 C C . GLY A 1 247 ? 16.473 -3.122 -25.299 1.00 55.99 247 A 1 ATOM 2052 O O . GLY A 1 247 ? 17.612 -3.523 -25.499 1.00 51.94 247 A 1 ATOM 2053 N N . ASN A 1 248 ? 15.463 -3.246 -26.142 1.00 44.23 248 A 1 ATOM 2054 C CA . ASN A 1 248 ? 15.566 -3.111 -27.585 1.00 49.22 248 A 1 ATOM 2055 C C . ASN A 1 248 ? 14.350 -2.252 -27.986 1.00 48.57 248 A 1 ATOM 2056 O O . ASN A 1 248 ? 13.322 -2.780 -28.391 1.00 44.16 248 A 1 ATOM 2057 C CB . ASN A 1 248 ? 15.585 -4.492 -28.276 1.00 46.08 248 A 1 ATOM 2058 C CG . ASN A 1 248 ? 16.967 -5.121 -28.415 1.00 41.08 248 A 1 ATOM 2059 O OD1 . ASN A 1 248 ? 18.006 -4.502 -28.285 1.00 36.48 248 A 1 ATOM 2060 N ND2 . ASN A 1 248 ? 17.018 -6.390 -28.755 1.00 37.25 248 A 1 ATOM 2061 N N . ASP A 1 249 ? 14.444 -0.955 -27.736 1.00 32.89 249 A 1 ATOM 2062 C CA . ASP A 1 249 ? 13.648 0.100 -28.388 1.00 33.00 249 A 1 ATOM 2063 C C . ASP A 1 249 ? 14.616 0.922 -29.260 1.00 29.49 249 A 1 ATOM 2064 O O . ASP A 1 249 ? 15.678 1.320 -28.732 1.00 25.36 249 A 1 ATOM 2065 C CB . ASP A 1 249 ? 12.905 0.993 -27.362 1.00 29.66 249 A 1 ATOM 2066 C CG . ASP A 1 249 ? 11.502 0.548 -26.884 1.00 26.79 249 A 1 ATOM 2067 O OD1 . ASP A 1 249 ? 10.914 -0.428 -27.396 1.00 25.53 249 A 1 ATOM 2068 O OD2 . ASP A 1 249 ? 10.933 1.276 -26.006 1.00 26.04 249 A 1 ATOM 2069 O OXT . ASP A 1 249 ? 14.255 1.126 -30.440 1.00 26.39 249 A 1 #