# 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_hia5 # _entry.id hia5 # 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 ALA 2 1 n ASN 3 1 n GLN 4 1 n ASN 5 1 n THR 6 1 n PHE 7 1 n LYS 8 1 n GLN 9 1 n ALA 10 1 n PRO 11 1 n LEU 12 1 n PRO 13 1 n PHE 14 1 n ILE 15 1 n GLY 16 1 n GLN 17 1 n LYS 18 1 n ARG 19 1 n MET 20 1 n PHE 21 1 n LEU 22 1 n LYS 23 1 n HIS 24 1 n PHE 25 1 n GLU 26 1 n THR 27 1 n VAL 28 1 n LEU 29 1 n ASN 30 1 n GLU 31 1 n ASN 32 1 n ILE 33 1 n LYS 34 1 n GLY 35 1 n ASP 36 1 n GLY 37 1 n GLU 38 1 n GLY 39 1 n TRP 40 1 n THR 41 1 n ILE 42 1 n ILE 43 1 n ASP 44 1 n THR 45 1 n PHE 46 1 n GLY 47 1 n GLY 48 1 n SER 49 1 n GLY 50 1 n LEU 51 1 n LEU 52 1 n SER 53 1 n HIS 54 1 n ALA 55 1 n ALA 56 1 n LYS 57 1 n VAL 58 1 n ILE 59 1 n LYS 60 1 n PRO 61 1 n LYS 62 1 n ALA 63 1 n HIS 64 1 n VAL 65 1 n ILE 66 1 n TYR 67 1 n ASN 68 1 n ASP 69 1 n PHE 70 1 n ASP 71 1 n SER 72 1 n TYR 73 1 n ALA 74 1 n GLU 75 1 n ARG 76 1 n LEU 77 1 n ALA 78 1 n TYR 79 1 n ILE 80 1 n ASN 81 1 n ASP 82 1 n THR 83 1 n ASN 84 1 n ALA 85 1 n LEU 86 1 n ARG 87 1 n THR 88 1 n GLN 89 1 n ILE 90 1 n PHE 91 1 n ALA 92 1 n LYS 93 1 n ILE 94 1 n GLY 95 1 n ASN 96 1 n ALA 97 1 n THR 98 1 n PRO 99 1 n LYS 100 1 n ASN 101 1 n LYS 102 1 n ARG 103 1 n LEU 104 1 n PRO 105 1 n LYS 106 1 n SER 107 1 n LEU 108 1 n LYS 109 1 n ALA 110 1 n GLU 111 1 n ILE 112 1 n ILE 113 1 n LYS 114 1 n ILE 115 1 n ILE 116 1 n ASP 117 1 n GLN 118 1 n PHE 119 1 n LYS 120 1 n GLY 121 1 n TYR 122 1 n LYS 123 1 n ASP 124 1 n LEU 125 1 n ASN 126 1 n CYS 127 1 n LEU 128 1 n THR 129 1 n SER 130 1 n TRP 131 1 n LEU 132 1 n LEU 133 1 n PHE 134 1 n SER 135 1 n GLY 136 1 n GLN 137 1 n GLN 138 1 n VAL 139 1 n SER 140 1 n SER 141 1 n LEU 142 1 n ASP 143 1 n GLU 144 1 n LEU 145 1 n TYR 146 1 n LYS 147 1 n LYS 148 1 n ASP 149 1 n PHE 150 1 n TRP 151 1 n HIS 152 1 n CYS 153 1 n VAL 154 1 n ARG 155 1 n LEU 156 1 n SER 157 1 n ASP 158 1 n TYR 159 1 n PRO 160 1 n SER 161 1 n ALA 162 1 n GLU 163 1 n GLY 164 1 n TYR 165 1 n LEU 166 1 n ASP 167 1 n GLY 168 1 n VAL 169 1 n GLU 170 1 n VAL 171 1 n ILE 172 1 n ARG 173 1 n GLU 174 1 n SER 175 1 n PHE 176 1 n HIS 177 1 n THR 178 1 n LEU 179 1 n LEU 180 1 n PRO 181 1 n LYS 182 1 n PHE 183 1 n SER 184 1 n ASP 185 1 n ASN 186 1 n PRO 187 1 n LYS 188 1 n ALA 189 1 n LEU 190 1 n PHE 191 1 n VAL 192 1 n LEU 193 1 n ASP 194 1 n PRO 195 1 n PRO 196 1 n TYR 197 1 n LEU 198 1 n CYS 199 1 n THR 200 1 n LYS 201 1 n GLN 202 1 n GLU 203 1 n SER 204 1 n TYR 205 1 n LYS 206 1 n GLN 207 1 n ALA 208 1 n THR 209 1 n TYR 210 1 n PHE 211 1 n ASP 212 1 n LEU 213 1 n ILE 214 1 n ASP 215 1 n PHE 216 1 n LEU 217 1 n ARG 218 1 n LEU 219 1 n VAL 220 1 n ASN 221 1 n ILE 222 1 n THR 223 1 n LEU 224 1 n PRO 225 1 n PRO 226 1 n TYR 227 1 n ILE 228 1 n PHE 229 1 n PHE 230 1 n SER 231 1 n SER 232 1 n THR 233 1 n LYS 234 1 n SER 235 1 n GLU 236 1 n PHE 237 1 n VAL 238 1 n ARG 239 1 n PHE 240 1 n ILE 241 1 n GLU 242 1 n TYR 243 1 n MET 244 1 n VAL 245 1 n ASP 246 1 n ASP 247 1 n LYS 248 1 n VAL 249 1 n HIS 250 1 n ASN 251 1 n TRP 252 1 n GLN 253 1 n ALA 254 1 n PHE 255 1 n GLU 256 1 n ASN 257 1 n ALA 258 1 n LYS 259 1 n ARG 260 1 n ILE 261 1 n THR 262 1 n VAL 263 1 n ASN 264 1 n ALA 265 1 n LYS 266 1 n LEU 267 1 n ASN 268 1 n TYR 269 1 n GLN 270 1 n VAL 271 1 n ALA 272 1 n TYR 273 1 n GLU 274 1 n ASP 275 1 n ASN 276 1 n LEU 277 1 n VAL 278 1 n TYR 279 1 n LYS 280 1 n PHE 281 # _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 01:29:50)" _ma_model_list.model_id 1 _ma_model_list.model_name "Top ranked model" _ma_model_list.model_type "Ab initio model" _ma_model_list.ordinal_id 1 # loop_ _ma_protocol_step.method_type _ma_protocol_step.ordinal_id _ma_protocol_step.protocol_id _ma_protocol_step.step_id "coevolution MSA" 1 1 1 "template search" 2 1 2 modeling 3 1 3 # loop_ _ma_qa_metric.id _ma_qa_metric.mode _ma_qa_metric.name _ma_qa_metric.software_group_id _ma_qa_metric.type 1 global pLDDT 1 pLDDT 2 local pLDDT 1 pLDDT # _ma_qa_metric_global.metric_id 1 _ma_qa_metric_global.metric_value 89.46 _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 47.97 1 1 A ALA 2 2 52.32 1 2 A ASN 3 2 56.69 1 3 A GLN 4 2 64.13 1 4 A ASN 5 2 74.89 1 5 A THR 6 2 83.11 1 6 A PHE 7 2 92.62 1 7 A LYS 8 2 84.32 1 8 A GLN 9 2 86.97 1 9 A ALA 10 2 94.10 1 10 A PRO 11 2 95.68 1 11 A LEU 12 2 95.93 1 12 A PRO 13 2 93.72 1 13 A PHE 14 2 90.26 1 14 A ILE 15 2 81.85 1 15 A GLY 16 2 84.95 1 16 A GLN 17 2 79.84 1 17 A LYS 18 2 85.57 1 18 A ARG 19 2 78.72 1 19 A MET 20 2 82.74 1 20 A PHE 21 2 88.06 1 21 A LEU 22 2 91.33 1 22 A LYS 23 2 83.47 1 23 A HIS 24 2 92.07 1 24 A PHE 25 2 96.51 1 25 A GLU 26 2 89.37 1 26 A THR 27 2 95.79 1 27 A VAL 28 2 97.46 1 28 A LEU 29 2 96.87 1 29 A ASN 30 2 95.63 1 30 A GLU 31 2 93.81 1 31 A ASN 32 2 96.27 1 32 A ILE 33 2 97.64 1 33 A LYS 34 2 86.79 1 34 A GLY 35 2 96.67 1 35 A ASP 36 2 94.85 1 36 A GLY 37 2 97.81 1 37 A GLU 38 2 93.78 1 38 A GLY 39 2 98.12 1 39 A TRP 40 2 98.24 1 40 A THR 41 2 98.08 1 41 A ILE 42 2 98.27 1 42 A ILE 43 2 97.46 1 43 A ASP 44 2 96.99 1 44 A THR 45 2 96.63 1 45 A PHE 46 2 93.99 1 46 A GLY 47 2 89.99 1 47 A GLY 48 2 92.89 1 48 A SER 49 2 94.92 1 49 A GLY 50 2 96.29 1 50 A LEU 51 2 95.39 1 51 A LEU 52 2 96.65 1 52 A SER 53 2 97.21 1 53 A HIS 54 2 94.57 1 54 A ALA 55 2 96.85 1 55 A ALA 56 2 97.74 1 56 A LYS 57 2 96.12 1 57 A VAL 58 2 96.05 1 58 A ILE 59 2 95.34 1 59 A LYS 60 2 97.32 1 60 A PRO 61 2 96.93 1 61 A LYS 62 2 93.12 1 62 A ALA 63 2 98.25 1 63 A HIS 64 2 95.16 1 64 A VAL 65 2 98.27 1 65 A ILE 66 2 98.24 1 66 A TYR 67 2 97.37 1 67 A ASN 68 2 96.17 1 68 A ASP 69 2 94.12 1 69 A PHE 70 2 83.44 1 70 A ASP 71 2 87.49 1 71 A SER 72 2 92.92 1 72 A TYR 73 2 96.33 1 73 A ALA 74 2 97.35 1 74 A GLU 75 2 92.91 1 75 A ARG 76 2 93.84 1 76 A LEU 77 2 97.07 1 77 A ALA 78 2 97.55 1 78 A TYR 79 2 96.80 1 79 A ILE 80 2 97.33 1 80 A ASN 81 2 95.47 1 81 A ASP 82 2 97.73 1 82 A THR 83 2 98.05 1 83 A ASN 84 2 97.12 1 84 A ALA 85 2 98.44 1 85 A LEU 86 2 98.14 1 86 A ARG 87 2 93.76 1 87 A THR 88 2 96.55 1 88 A GLN 89 2 95.85 1 89 A ILE 90 2 97.55 1 90 A PHE 91 2 94.07 1 91 A ALA 92 2 96.41 1 92 A LYS 93 2 94.73 1 93 A ILE 94 2 94.80 1 94 A GLY 95 2 91.75 1 95 A ASN 96 2 84.60 1 96 A ALA 97 2 86.67 1 97 A THR 98 2 90.10 1 98 A PRO 99 2 91.36 1 99 A LYS 100 2 85.62 1 100 A ASN 101 2 88.35 1 101 A LYS 102 2 88.11 1 102 A ARG 103 2 86.34 1 103 A LEU 104 2 95.87 1 104 A PRO 105 2 95.81 1 105 A LYS 106 2 91.17 1 106 A SER 107 2 95.74 1 107 A LEU 108 2 94.91 1 108 A LYS 109 2 96.62 1 109 A ALA 110 2 97.80 1 110 A GLU 111 2 90.99 1 111 A ILE 112 2 97.27 1 112 A ILE 113 2 98.05 1 113 A LYS 114 2 90.30 1 114 A ILE 115 2 97.97 1 115 A ILE 116 2 98.30 1 116 A ASP 117 2 97.13 1 117 A GLN 118 2 95.19 1 118 A PHE 119 2 98.14 1 119 A LYS 120 2 89.51 1 120 A GLY 121 2 97.94 1 121 A TYR 122 2 97.30 1 122 A LYS 123 2 96.88 1 123 A ASP 124 2 97.03 1 124 A LEU 125 2 95.77 1 125 A ASN 126 2 92.56 1 126 A CYS 127 2 97.47 1 127 A LEU 128 2 97.88 1 128 A THR 129 2 94.88 1 129 A SER 130 2 94.16 1 130 A TRP 131 2 97.03 1 131 A LEU 132 2 97.21 1 132 A LEU 133 2 94.20 1 133 A PHE 134 2 78.80 1 134 A SER 135 2 78.10 1 135 A GLY 136 2 81.43 1 136 A GLN 137 2 84.05 1 137 A GLN 138 2 80.50 1 138 A VAL 139 2 90.72 1 139 A SER 140 2 88.66 1 140 A SER 141 2 93.22 1 141 A LEU 142 2 96.20 1 142 A ASP 143 2 92.97 1 143 A GLU 144 2 88.09 1 144 A LEU 145 2 96.42 1 145 A TYR 146 2 97.69 1 146 A LYS 147 2 92.15 1 147 A LYS 148 2 92.65 1 148 A ASP 149 2 94.71 1 149 A PHE 150 2 97.42 1 150 A TRP 151 2 93.46 1 151 A HIS 152 2 93.10 1 152 A CYS 153 2 94.33 1 153 A VAL 154 2 94.75 1 154 A ARG 155 2 86.75 1 155 A LEU 156 2 90.04 1 156 A SER 157 2 94.29 1 157 A ASP 158 2 94.62 1 158 A TYR 159 2 96.35 1 159 A PRO 160 2 93.83 1 160 A SER 161 2 93.60 1 161 A ALA 162 2 95.15 1 162 A GLU 163 2 85.40 1 163 A GLY 164 2 95.28 1 164 A TYR 165 2 96.21 1 165 A LEU 166 2 95.80 1 166 A ASP 167 2 94.61 1 167 A GLY 168 2 96.81 1 168 A VAL 169 2 96.28 1 169 A GLU 170 2 96.62 1 170 A VAL 171 2 97.66 1 171 A ILE 172 2 97.27 1 172 A ARG 173 2 86.27 1 173 A GLU 174 2 92.62 1 174 A SER 175 2 95.00 1 175 A PHE 176 2 95.01 1 176 A HIS 177 2 86.87 1 177 A THR 178 2 95.93 1 178 A LEU 179 2 97.09 1 179 A LEU 180 2 96.59 1 180 A PRO 181 2 96.86 1 181 A LYS 182 2 95.48 1 182 A PHE 183 2 96.86 1 183 A SER 184 2 93.17 1 184 A ASP 185 2 92.45 1 185 A ASN 186 2 95.89 1 186 A PRO 187 2 96.67 1 187 A LYS 188 2 94.93 1 188 A ALA 189 2 98.34 1 189 A LEU 190 2 98.05 1 190 A PHE 191 2 95.32 1 191 A VAL 192 2 97.44 1 192 A LEU 193 2 96.43 1 193 A ASP 194 2 92.56 1 194 A PRO 195 2 93.08 1 195 A PRO 196 2 88.95 1 196 A TYR 197 2 73.63 1 197 A LEU 198 2 75.23 1 198 A CYS 199 2 60.84 1 199 A THR 200 2 53.64 1 200 A LYS 201 2 46.61 1 201 A GLN 202 2 46.30 1 202 A GLU 203 2 49.14 1 203 A SER 204 2 51.78 1 204 A TYR 205 2 43.25 1 205 A LYS 206 2 46.10 1 206 A GLN 207 2 55.78 1 207 A ALA 208 2 60.56 1 208 A THR 209 2 67.64 1 209 A TYR 210 2 67.55 1 210 A PHE 211 2 87.18 1 211 A ASP 212 2 86.61 1 212 A LEU 213 2 88.41 1 213 A ILE 214 2 90.19 1 214 A ASP 215 2 90.77 1 215 A PHE 216 2 89.93 1 216 A LEU 217 2 92.75 1 217 A ARG 218 2 84.58 1 218 A LEU 219 2 95.03 1 219 A VAL 220 2 93.67 1 220 A ASN 221 2 89.57 1 221 A ILE 222 2 92.16 1 222 A THR 223 2 94.71 1 223 A LEU 224 2 90.25 1 224 A PRO 225 2 96.65 1 225 A PRO 226 2 97.84 1 226 A TYR 227 2 97.64 1 227 A ILE 228 2 97.13 1 228 A PHE 229 2 94.04 1 229 A PHE 230 2 93.89 1 230 A SER 231 2 88.01 1 231 A SER 232 2 79.62 1 232 A THR 233 2 71.22 1 233 A LYS 234 2 66.38 1 234 A SER 235 2 72.14 1 235 A GLU 236 2 72.55 1 236 A PHE 237 2 86.35 1 237 A VAL 238 2 89.55 1 238 A ARG 239 2 79.14 1 239 A PHE 240 2 91.39 1 240 A ILE 241 2 89.67 1 241 A GLU 242 2 89.30 1 242 A TYR 243 2 92.65 1 243 A MET 244 2 92.69 1 244 A VAL 245 2 95.04 1 245 A ASP 246 2 93.94 1 246 A ASP 247 2 94.28 1 247 A LYS 248 2 90.77 1 248 A VAL 249 2 91.74 1 249 A HIS 250 2 87.94 1 250 A ASN 251 2 93.16 1 251 A TRP 252 2 95.91 1 252 A GLN 253 2 92.01 1 253 A ALA 254 2 96.90 1 254 A PHE 255 2 96.23 1 255 A GLU 256 2 92.91 1 256 A ASN 257 2 93.73 1 257 A ALA 258 2 96.75 1 258 A LYS 259 2 91.80 1 259 A ARG 260 2 87.83 1 260 A ILE 261 2 93.49 1 261 A THR 262 2 89.51 1 262 A VAL 263 2 87.79 1 263 A ASN 264 2 80.89 1 264 A ALA 265 2 78.55 1 265 A LYS 266 2 66.90 1 266 A LEU 267 2 64.59 1 267 A ASN 268 2 68.38 1 268 A TYR 269 2 62.24 1 269 A GLN 270 2 69.26 1 270 A VAL 271 2 72.67 1 271 A ALA 272 2 78.37 1 272 A TYR 273 2 71.96 1 273 A GLU 274 2 77.58 1 274 A ASP 275 2 85.12 1 275 A ASN 276 2 89.33 1 276 A LEU 277 2 93.48 1 277 A VAL 278 2 95.47 1 278 A TYR 279 2 97.28 1 279 A LYS 280 2 96.21 1 280 A PHE 281 2 96.70 1 281 # _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 ALA . 2 A 2 A 3 1 n ASN . 3 A 3 A 4 1 n GLN . 4 A 4 A 5 1 n ASN . 5 A 5 A 6 1 n THR . 6 A 6 A 7 1 n PHE . 7 A 7 A 8 1 n LYS . 8 A 8 A 9 1 n GLN . 9 A 9 A 10 1 n ALA . 10 A 10 A 11 1 n PRO . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n PRO . 13 A 13 A 14 1 n PHE . 14 A 14 A 15 1 n ILE . 15 A 15 A 16 1 n GLY . 16 A 16 A 17 1 n GLN . 17 A 17 A 18 1 n LYS . 18 A 18 A 19 1 n ARG . 19 A 19 A 20 1 n MET . 20 A 20 A 21 1 n PHE . 21 A 21 A 22 1 n LEU . 22 A 22 A 23 1 n LYS . 23 A 23 A 24 1 n HIS . 24 A 24 A 25 1 n PHE . 25 A 25 A 26 1 n GLU . 26 A 26 A 27 1 n THR . 27 A 27 A 28 1 n VAL . 28 A 28 A 29 1 n LEU . 29 A 29 A 30 1 n ASN . 30 A 30 A 31 1 n GLU . 31 A 31 A 32 1 n ASN . 32 A 32 A 33 1 n ILE . 33 A 33 A 34 1 n LYS . 34 A 34 A 35 1 n GLY . 35 A 35 A 36 1 n ASP . 36 A 36 A 37 1 n GLY . 37 A 37 A 38 1 n GLU . 38 A 38 A 39 1 n GLY . 39 A 39 A 40 1 n TRP . 40 A 40 A 41 1 n THR . 41 A 41 A 42 1 n ILE . 42 A 42 A 43 1 n ILE . 43 A 43 A 44 1 n ASP . 44 A 44 A 45 1 n THR . 45 A 45 A 46 1 n PHE . 46 A 46 A 47 1 n GLY . 47 A 47 A 48 1 n GLY . 48 A 48 A 49 1 n SER . 49 A 49 A 50 1 n GLY . 50 A 50 A 51 1 n LEU . 51 A 51 A 52 1 n LEU . 52 A 52 A 53 1 n SER . 53 A 53 A 54 1 n HIS . 54 A 54 A 55 1 n ALA . 55 A 55 A 56 1 n ALA . 56 A 56 A 57 1 n LYS . 57 A 57 A 58 1 n VAL . 58 A 58 A 59 1 n ILE . 59 A 59 A 60 1 n LYS . 60 A 60 A 61 1 n PRO . 61 A 61 A 62 1 n LYS . 62 A 62 A 63 1 n ALA . 63 A 63 A 64 1 n HIS . 64 A 64 A 65 1 n VAL . 65 A 65 A 66 1 n ILE . 66 A 66 A 67 1 n TYR . 67 A 67 A 68 1 n ASN . 68 A 68 A 69 1 n ASP . 69 A 69 A 70 1 n PHE . 70 A 70 A 71 1 n ASP . 71 A 71 A 72 1 n SER . 72 A 72 A 73 1 n TYR . 73 A 73 A 74 1 n ALA . 74 A 74 A 75 1 n GLU . 75 A 75 A 76 1 n ARG . 76 A 76 A 77 1 n LEU . 77 A 77 A 78 1 n ALA . 78 A 78 A 79 1 n TYR . 79 A 79 A 80 1 n ILE . 80 A 80 A 81 1 n ASN . 81 A 81 A 82 1 n ASP . 82 A 82 A 83 1 n THR . 83 A 83 A 84 1 n ASN . 84 A 84 A 85 1 n ALA . 85 A 85 A 86 1 n LEU . 86 A 86 A 87 1 n ARG . 87 A 87 A 88 1 n THR . 88 A 88 A 89 1 n GLN . 89 A 89 A 90 1 n ILE . 90 A 90 A 91 1 n PHE . 91 A 91 A 92 1 n ALA . 92 A 92 A 93 1 n LYS . 93 A 93 A 94 1 n ILE . 94 A 94 A 95 1 n GLY . 95 A 95 A 96 1 n ASN . 96 A 96 A 97 1 n ALA . 97 A 97 A 98 1 n THR . 98 A 98 A 99 1 n PRO . 99 A 99 A 100 1 n LYS . 100 A 100 A 101 1 n ASN . 101 A 101 A 102 1 n LYS . 102 A 102 A 103 1 n ARG . 103 A 103 A 104 1 n LEU . 104 A 104 A 105 1 n PRO . 105 A 105 A 106 1 n LYS . 106 A 106 A 107 1 n SER . 107 A 107 A 108 1 n LEU . 108 A 108 A 109 1 n LYS . 109 A 109 A 110 1 n ALA . 110 A 110 A 111 1 n GLU . 111 A 111 A 112 1 n ILE . 112 A 112 A 113 1 n ILE . 113 A 113 A 114 1 n LYS . 114 A 114 A 115 1 n ILE . 115 A 115 A 116 1 n ILE . 116 A 116 A 117 1 n ASP . 117 A 117 A 118 1 n GLN . 118 A 118 A 119 1 n PHE . 119 A 119 A 120 1 n LYS . 120 A 120 A 121 1 n GLY . 121 A 121 A 122 1 n TYR . 122 A 122 A 123 1 n LYS . 123 A 123 A 124 1 n ASP . 124 A 124 A 125 1 n LEU . 125 A 125 A 126 1 n ASN . 126 A 126 A 127 1 n CYS . 127 A 127 A 128 1 n LEU . 128 A 128 A 129 1 n THR . 129 A 129 A 130 1 n SER . 130 A 130 A 131 1 n TRP . 131 A 131 A 132 1 n LEU . 132 A 132 A 133 1 n LEU . 133 A 133 A 134 1 n PHE . 134 A 134 A 135 1 n SER . 135 A 135 A 136 1 n GLY . 136 A 136 A 137 1 n GLN . 137 A 137 A 138 1 n GLN . 138 A 138 A 139 1 n VAL . 139 A 139 A 140 1 n SER . 140 A 140 A 141 1 n SER . 141 A 141 A 142 1 n LEU . 142 A 142 A 143 1 n ASP . 143 A 143 A 144 1 n GLU . 144 A 144 A 145 1 n LEU . 145 A 145 A 146 1 n TYR . 146 A 146 A 147 1 n LYS . 147 A 147 A 148 1 n LYS . 148 A 148 A 149 1 n ASP . 149 A 149 A 150 1 n PHE . 150 A 150 A 151 1 n TRP . 151 A 151 A 152 1 n HIS . 152 A 152 A 153 1 n CYS . 153 A 153 A 154 1 n VAL . 154 A 154 A 155 1 n ARG . 155 A 155 A 156 1 n LEU . 156 A 156 A 157 1 n SER . 157 A 157 A 158 1 n ASP . 158 A 158 A 159 1 n TYR . 159 A 159 A 160 1 n PRO . 160 A 160 A 161 1 n SER . 161 A 161 A 162 1 n ALA . 162 A 162 A 163 1 n GLU . 163 A 163 A 164 1 n GLY . 164 A 164 A 165 1 n TYR . 165 A 165 A 166 1 n LEU . 166 A 166 A 167 1 n ASP . 167 A 167 A 168 1 n GLY . 168 A 168 A 169 1 n VAL . 169 A 169 A 170 1 n GLU . 170 A 170 A 171 1 n VAL . 171 A 171 A 172 1 n ILE . 172 A 172 A 173 1 n ARG . 173 A 173 A 174 1 n GLU . 174 A 174 A 175 1 n SER . 175 A 175 A 176 1 n PHE . 176 A 176 A 177 1 n HIS . 177 A 177 A 178 1 n THR . 178 A 178 A 179 1 n LEU . 179 A 179 A 180 1 n LEU . 180 A 180 A 181 1 n PRO . 181 A 181 A 182 1 n LYS . 182 A 182 A 183 1 n PHE . 183 A 183 A 184 1 n SER . 184 A 184 A 185 1 n ASP . 185 A 185 A 186 1 n ASN . 186 A 186 A 187 1 n PRO . 187 A 187 A 188 1 n LYS . 188 A 188 A 189 1 n ALA . 189 A 189 A 190 1 n LEU . 190 A 190 A 191 1 n PHE . 191 A 191 A 192 1 n VAL . 192 A 192 A 193 1 n LEU . 193 A 193 A 194 1 n ASP . 194 A 194 A 195 1 n PRO . 195 A 195 A 196 1 n PRO . 196 A 196 A 197 1 n TYR . 197 A 197 A 198 1 n LEU . 198 A 198 A 199 1 n CYS . 199 A 199 A 200 1 n THR . 200 A 200 A 201 1 n LYS . 201 A 201 A 202 1 n GLN . 202 A 202 A 203 1 n GLU . 203 A 203 A 204 1 n SER . 204 A 204 A 205 1 n TYR . 205 A 205 A 206 1 n LYS . 206 A 206 A 207 1 n GLN . 207 A 207 A 208 1 n ALA . 208 A 208 A 209 1 n THR . 209 A 209 A 210 1 n TYR . 210 A 210 A 211 1 n PHE . 211 A 211 A 212 1 n ASP . 212 A 212 A 213 1 n LEU . 213 A 213 A 214 1 n ILE . 214 A 214 A 215 1 n ASP . 215 A 215 A 216 1 n PHE . 216 A 216 A 217 1 n LEU . 217 A 217 A 218 1 n ARG . 218 A 218 A 219 1 n LEU . 219 A 219 A 220 1 n VAL . 220 A 220 A 221 1 n ASN . 221 A 221 A 222 1 n ILE . 222 A 222 A 223 1 n THR . 223 A 223 A 224 1 n LEU . 224 A 224 A 225 1 n PRO . 225 A 225 A 226 1 n PRO . 226 A 226 A 227 1 n TYR . 227 A 227 A 228 1 n ILE . 228 A 228 A 229 1 n PHE . 229 A 229 A 230 1 n PHE . 230 A 230 A 231 1 n SER . 231 A 231 A 232 1 n SER . 232 A 232 A 233 1 n THR . 233 A 233 A 234 1 n LYS . 234 A 234 A 235 1 n SER . 235 A 235 A 236 1 n GLU . 236 A 236 A 237 1 n PHE . 237 A 237 A 238 1 n VAL . 238 A 238 A 239 1 n ARG . 239 A 239 A 240 1 n PHE . 240 A 240 A 241 1 n ILE . 241 A 241 A 242 1 n GLU . 242 A 242 A 243 1 n TYR . 243 A 243 A 244 1 n MET . 244 A 244 A 245 1 n VAL . 245 A 245 A 246 1 n ASP . 246 A 246 A 247 1 n ASP . 247 A 247 A 248 1 n LYS . 248 A 248 A 249 1 n VAL . 249 A 249 A 250 1 n HIS . 250 A 250 A 251 1 n ASN . 251 A 251 A 252 1 n TRP . 252 A 252 A 253 1 n GLN . 253 A 253 A 254 1 n ALA . 254 A 254 A 255 1 n PHE . 255 A 255 A 256 1 n GLU . 256 A 256 A 257 1 n ASN . 257 A 257 A 258 1 n ALA . 258 A 258 A 259 1 n LYS . 259 A 259 A 260 1 n ARG . 260 A 260 A 261 1 n ILE . 261 A 261 A 262 1 n THR . 262 A 262 A 263 1 n VAL . 263 A 263 A 264 1 n ASN . 264 A 264 A 265 1 n ALA . 265 A 265 A 266 1 n LYS . 266 A 266 A 267 1 n LEU . 267 A 267 A 268 1 n ASN . 268 A 268 A 269 1 n TYR . 269 A 269 A 270 1 n GLN . 270 A 270 A 271 1 n VAL . 271 A 271 A 272 1 n ALA . 272 A 272 A 273 1 n TYR . 273 A 273 A 274 1 n GLU . 274 A 274 A 275 1 n ASP . 275 A 275 A 276 1 n ASN . 276 A 276 A 277 1 n LEU . 277 A 277 A 278 1 n VAL . 278 A 278 A 279 1 n TYR . 279 A 279 A 280 1 n LYS . 280 A 280 A 281 1 n PHE . 281 A 281 # _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 ? -18.485 0.318 -24.462 1.00 47.53 1 A 1 ATOM 2 C CA . MET A 1 1 ? -17.371 0.280 -23.495 1.00 53.51 1 A 1 ATOM 3 C C . MET A 1 1 ? -17.953 0.709 -22.161 1.00 56.07 1 A 1 ATOM 4 O O . MET A 1 1 ? -18.512 1.799 -22.104 1.00 53.44 1 A 1 ATOM 5 C CB . MET A 1 1 ? -16.228 1.207 -23.933 1.00 50.95 1 A 1 ATOM 6 C CG . MET A 1 1 ? -15.533 0.694 -25.208 1.00 46.19 1 A 1 ATOM 7 S SD . MET A 1 1 ? -14.288 1.843 -25.847 1.00 41.15 1 A 1 ATOM 8 C CE . MET A 1 1 ? -13.754 0.968 -27.342 1.00 34.96 1 A 1 ATOM 9 N N . ALA A 1 2 ? -17.964 -0.175 -21.163 1.00 47.88 2 A 1 ATOM 10 C CA . ALA A 1 2 ? -18.444 0.194 -19.832 1.00 53.13 2 A 1 ATOM 11 C C . ALA A 1 2 ? -17.556 1.327 -19.294 1.00 57.31 2 A 1 ATOM 12 O O . ALA A 1 2 ? -16.336 1.265 -19.448 1.00 54.36 2 A 1 ATOM 13 C CB . ALA A 1 2 ? -18.422 -1.049 -18.929 1.00 48.90 2 A 1 ATOM 14 N N . ASN A 1 3 ? -18.161 2.366 -18.720 1.00 58.28 3 A 1 ATOM 15 C CA . ASN A 1 3 ? -17.425 3.404 -17.995 1.00 63.79 3 A 1 ATOM 16 C C . ASN A 1 3 ? -16.683 2.723 -16.831 1.00 66.68 3 A 1 ATOM 17 O O . ASN A 1 3 ? -17.290 2.440 -15.801 1.00 63.98 3 A 1 ATOM 18 C CB . ASN A 1 3 ? -18.410 4.482 -17.478 1.00 58.43 3 A 1 ATOM 19 C CG . ASN A 1 3 ? -18.573 5.693 -18.384 1.00 50.74 3 A 1 ATOM 20 O OD1 . ASN A 1 3 ? -17.828 5.933 -19.314 1.00 46.99 3 A 1 ATOM 21 N ND2 . ASN A 1 3 ? -19.548 6.532 -18.113 1.00 44.62 3 A 1 ATOM 22 N N . GLN A 1 4 ? -15.393 2.412 -17.015 1.00 67.54 4 A 1 ATOM 23 C CA . GLN A 1 4 ? -14.561 1.952 -15.907 1.00 72.39 4 A 1 ATOM 24 C C . GLN A 1 4 ? -14.471 3.081 -14.879 1.00 76.65 4 A 1 ATOM 25 O O . GLN A 1 4 ? -13.973 4.172 -15.177 1.00 72.44 4 A 1 ATOM 26 C CB . GLN A 1 4 ? -13.168 1.515 -16.393 1.00 68.06 4 A 1 ATOM 27 C CG . GLN A 1 4 ? -13.163 0.079 -16.944 1.00 61.96 4 A 1 ATOM 28 C CD . GLN A 1 4 ? -11.775 -0.384 -17.384 1.00 57.21 4 A 1 ATOM 29 O OE1 . GLN A 1 4 ? -10.873 0.396 -17.632 1.00 52.43 4 A 1 ATOM 30 N NE2 . GLN A 1 4 ? -11.550 -1.671 -17.523 1.00 48.47 4 A 1 ATOM 31 N N . ASN A 1 5 ? -14.985 2.829 -13.681 1.00 77.82 5 A 1 ATOM 32 C CA . ASN A 1 5 ? -14.877 3.763 -12.569 1.00 82.66 5 A 1 ATOM 33 C C . ASN A 1 5 ? -13.392 4.011 -12.272 1.00 87.38 5 A 1 ATOM 34 O O . ASN A 1 5 ? -12.656 3.095 -11.915 1.00 83.98 5 A 1 ATOM 35 C CB . ASN A 1 5 ? -15.617 3.197 -11.343 1.00 75.04 5 A 1 ATOM 36 C CG . ASN A 1 5 ? -17.126 3.385 -11.406 1.00 67.96 5 A 1 ATOM 37 O OD1 . ASN A 1 5 ? -17.635 4.298 -12.042 1.00 63.30 5 A 1 ATOM 38 N ND2 . ASN A 1 5 ? -17.884 2.568 -10.709 1.00 60.95 5 A 1 ATOM 39 N N . THR A 1 6 ? -12.938 5.247 -12.426 1.00 84.81 6 A 1 ATOM 40 C CA . THR A 1 6 ? -11.543 5.614 -12.156 1.00 88.27 6 A 1 ATOM 41 C C . THR A 1 6 ? -11.386 6.025 -10.696 1.00 91.08 6 A 1 ATOM 42 O O . THR A 1 6 ? -11.896 7.067 -10.273 1.00 88.16 6 A 1 ATOM 43 C CB . THR A 1 6 ? -11.057 6.723 -13.097 1.00 83.39 6 A 1 ATOM 44 O OG1 . THR A 1 6 ? -11.251 6.358 -14.434 1.00 72.74 6 A 1 ATOM 45 C CG2 . THR A 1 6 ? -9.561 6.999 -12.926 1.00 73.32 6 A 1 ATOM 46 N N . PHE A 1 7 ? -10.641 5.243 -9.935 1.00 92.11 7 A 1 ATOM 47 C CA . PHE A 1 7 ? -10.318 5.548 -8.542 1.00 93.07 7 A 1 ATOM 48 C C . PHE A 1 7 ? -9.031 6.380 -8.461 1.00 93.45 7 A 1 ATOM 49 O O . PHE A 1 7 ? -7.983 6.011 -8.976 1.00 91.58 7 A 1 ATOM 50 C CB . PHE A 1 7 ? -10.220 4.253 -7.727 1.00 92.97 7 A 1 ATOM 51 C CG . PHE A 1 7 ? -11.530 3.488 -7.601 1.00 93.86 7 A 1 ATOM 52 C CD1 . PHE A 1 7 ? -12.290 3.575 -6.419 1.00 92.25 7 A 1 ATOM 53 C CD2 . PHE A 1 7 ? -11.987 2.678 -8.657 1.00 92.51 7 A 1 ATOM 54 C CE1 . PHE A 1 7 ? -13.489 2.848 -6.293 1.00 91.74 7 A 1 ATOM 55 C CE2 . PHE A 1 7 ? -13.191 1.960 -8.535 1.00 92.37 7 A 1 ATOM 56 C CZ . PHE A 1 7 ? -13.939 2.038 -7.350 1.00 92.93 7 A 1 ATOM 57 N N . LYS A 1 8 ? -9.103 7.520 -7.765 1.00 92.08 8 A 1 ATOM 58 C CA . LYS A 1 8 ? -7.949 8.418 -7.528 1.00 91.53 8 A 1 ATOM 59 C C . LYS A 1 8 ? -7.266 8.185 -6.174 1.00 92.43 8 A 1 ATOM 60 O O . LYS A 1 8 ? -6.283 8.853 -5.839 1.00 89.15 8 A 1 ATOM 61 C CB . LYS A 1 8 ? -8.389 9.883 -7.674 1.00 90.56 8 A 1 ATOM 62 C CG . LYS A 1 8 ? -8.862 10.205 -9.098 1.00 87.33 8 A 1 ATOM 63 C CD . LYS A 1 8 ? -9.245 11.686 -9.229 1.00 79.46 8 A 1 ATOM 64 C CE . LYS A 1 8 ? -9.730 11.945 -10.659 1.00 73.96 8 A 1 ATOM 65 N NZ . LYS A 1 8 ? -10.187 13.342 -10.860 1.00 62.37 8 A 1 ATOM 66 N N . GLN A 1 9 ? -7.816 7.292 -5.374 1.00 93.25 9 A 1 ATOM 67 C CA . GLN A 1 9 ? -7.314 6.871 -4.072 1.00 93.35 9 A 1 ATOM 68 C C . GLN A 1 9 ? -7.836 5.465 -3.777 1.00 94.37 9 A 1 ATOM 69 O O . GLN A 1 9 ? -8.868 5.065 -4.318 1.00 93.16 9 A 1 ATOM 70 C CB . GLN A 1 9 ? -7.737 7.868 -2.976 1.00 91.16 9 A 1 ATOM 71 C CG . GLN A 1 9 ? -9.264 7.945 -2.765 1.00 84.40 9 A 1 ATOM 72 C CD . GLN A 1 9 ? -9.678 8.951 -1.694 1.00 84.09 9 A 1 ATOM 73 O OE1 . GLN A 1 9 ? -8.908 9.749 -1.176 1.00 75.73 9 A 1 ATOM 74 N NE2 . GLN A 1 9 ? -10.937 8.967 -1.320 1.00 73.26 9 A 1 ATOM 75 N N . ALA A 1 10 ? -7.148 4.742 -2.897 1.00 94.26 10 A 1 ATOM 76 C CA . ALA A 1 10 ? -7.594 3.436 -2.431 1.00 94.21 10 A 1 ATOM 77 C C . ALA A 1 10 ? -8.971 3.527 -1.727 1.00 94.89 10 A 1 ATOM 78 O O . ALA A 1 10 ? -9.187 4.471 -0.955 1.00 93.92 10 A 1 ATOM 79 C CB . ALA A 1 10 ? -6.512 2.878 -1.505 1.00 93.22 10 A 1 ATOM 80 N N . PRO A 1 11 ? -9.896 2.562 -1.941 1.00 96.18 11 A 1 ATOM 81 C CA . PRO A 1 11 ? -11.229 2.569 -1.325 1.00 95.95 11 A 1 ATOM 82 C C . PRO A 1 11 ? -11.207 2.520 0.208 1.00 96.30 11 A 1 ATOM 83 O O . PRO A 1 11 ? -11.997 3.196 0.867 1.00 95.44 11 A 1 ATOM 84 C CB . PRO A 1 11 ? -11.953 1.349 -1.907 1.00 95.32 11 A 1 ATOM 85 C CG . PRO A 1 11 ? -11.291 1.151 -3.265 1.00 94.44 11 A 1 ATOM 86 C CD . PRO A 1 11 ? -9.838 1.535 -2.984 1.00 96.11 11 A 1 ATOM 87 N N . LEU A 1 12 ? -10.275 1.750 0.781 1.00 96.27 12 A 1 ATOM 88 C CA . LEU A 1 12 ? -10.039 1.636 2.222 1.00 96.38 12 A 1 ATOM 89 C C . LEU A 1 12 ? -8.702 2.285 2.623 1.00 96.02 12 A 1 ATOM 90 O O . LEU A 1 12 ? -7.800 2.405 1.792 1.00 95.23 12 A 1 ATOM 91 C CB . LEU A 1 12 ? -10.074 0.154 2.635 1.00 96.51 12 A 1 ATOM 92 C CG . LEU A 1 12 ? -11.449 -0.522 2.536 1.00 96.31 12 A 1 ATOM 93 C CD1 . LEU A 1 12 ? -11.297 -1.990 2.934 1.00 95.35 12 A 1 ATOM 94 C CD2 . LEU A 1 12 ? -12.482 0.125 3.459 1.00 95.37 12 A 1 ATOM 95 N N . PRO A 1 13 ? -8.524 2.663 3.900 1.00 95.11 13 A 1 ATOM 96 C CA . PRO A 1 13 ? -7.270 3.224 4.391 1.00 94.37 13 A 1 ATOM 97 C C . PRO A 1 13 ? -6.069 2.321 4.090 1.00 94.80 13 A 1 ATOM 98 O O . PRO A 1 13 ? -6.047 1.146 4.467 1.00 93.87 13 A 1 ATOM 99 C CB . PRO A 1 13 ? -7.452 3.421 5.898 1.00 92.96 13 A 1 ATOM 100 C CG . PRO A 1 13 ? -8.959 3.581 6.050 1.00 90.87 13 A 1 ATOM 101 C CD . PRO A 1 13 ? -9.510 2.654 4.975 1.00 94.03 13 A 1 ATOM 102 N N . PHE A 1 14 ? -5.052 2.899 3.454 1.00 92.49 14 A 1 ATOM 103 C CA . PHE A 1 14 ? -3.765 2.265 3.196 1.00 91.54 14 A 1 ATOM 104 C C . PHE A 1 14 ? -2.647 3.316 3.253 1.00 90.04 14 A 1 ATOM 105 O O . PHE A 1 14 ? -2.755 4.401 2.672 1.00 87.47 14 A 1 ATOM 106 C CB . PHE A 1 14 ? -3.798 1.542 1.846 1.00 91.42 14 A 1 ATOM 107 C CG . PHE A 1 14 ? -2.626 0.606 1.657 1.00 91.39 14 A 1 ATOM 108 C CD1 . PHE A 1 14 ? -1.398 1.084 1.166 1.00 90.14 14 A 1 ATOM 109 C CD2 . PHE A 1 14 ? -2.749 -0.748 2.023 1.00 90.47 14 A 1 ATOM 110 C CE1 . PHE A 1 14 ? -0.296 0.218 1.055 1.00 89.15 14 A 1 ATOM 111 C CE2 . PHE A 1 14 ? -1.645 -1.617 1.906 1.00 89.32 14 A 1 ATOM 112 C CZ . PHE A 1 14 ? -0.417 -1.132 1.427 1.00 89.41 14 A 1 ATOM 113 N N . ILE A 1 15 ? -1.583 3.019 3.981 1.00 88.69 15 A 1 ATOM 114 C CA . ILE A 1 15 ? -0.423 3.909 4.125 1.00 86.59 15 A 1 ATOM 115 C C . ILE A 1 15 ? 0.509 3.688 2.930 1.00 85.78 15 A 1 ATOM 116 O O . ILE A 1 15 ? 0.816 2.556 2.591 1.00 81.24 15 A 1 ATOM 117 C CB . ILE A 1 15 ? 0.273 3.685 5.489 1.00 84.07 15 A 1 ATOM 118 C CG1 . ILE A 1 15 ? -0.716 4.044 6.628 1.00 78.41 15 A 1 ATOM 119 C CG2 . ILE A 1 15 ? 1.558 4.535 5.593 1.00 78.51 15 A 1 ATOM 120 C CD1 . ILE A 1 15 ? -0.208 3.742 8.036 1.00 71.54 15 A 1 ATOM 121 N N . GLY A 1 16 ? 0.946 4.758 2.280 1.00 85.45 16 A 1 ATOM 122 C CA . GLY A 1 16 ? 1.877 4.642 1.149 1.00 85.06 16 A 1 ATOM 123 C C . GLY A 1 16 ? 1.224 4.425 -0.227 1.00 86.54 16 A 1 ATOM 124 O O . GLY A 1 16 ? 1.927 4.189 -1.195 1.00 82.73 16 A 1 ATOM 125 N N . GLN A 1 17 ? -0.080 4.605 -0.362 1.00 85.61 17 A 1 ATOM 126 C CA . GLN A 1 17 ? -0.870 4.339 -1.591 1.00 85.16 17 A 1 ATOM 127 C C . GLN A 1 17 ? -0.494 5.102 -2.896 1.00 86.13 17 A 1 ATOM 128 O O . GLN A 1 17 ? -1.282 5.121 -3.841 1.00 82.82 17 A 1 ATOM 129 C CB . GLN A 1 17 ? -2.362 4.564 -1.261 1.00 81.33 17 A 1 ATOM 130 C CG . GLN A 1 17 ? -2.720 6.035 -1.000 1.00 78.11 17 A 1 ATOM 131 C CD . GLN A 1 17 ? -4.203 6.213 -0.692 1.00 78.29 17 A 1 ATOM 132 O OE1 . GLN A 1 17 ? -5.034 6.316 -1.577 1.00 71.76 17 A 1 ATOM 133 N NE2 . GLN A 1 17 ? -4.588 6.260 0.560 1.00 69.37 17 A 1 ATOM 134 N N . LYS A 1 18 ? 0.618 5.834 -2.953 1.00 89.39 18 A 1 ATOM 135 C CA . LYS A 1 18 ? 1.156 6.564 -4.136 1.00 90.00 18 A 1 ATOM 136 C C . LYS A 1 18 ? 0.172 7.481 -4.903 1.00 90.95 18 A 1 ATOM 137 O O . LYS A 1 18 ? 0.422 7.850 -6.044 1.00 87.70 18 A 1 ATOM 138 C CB . LYS A 1 18 ? 1.917 5.585 -5.053 1.00 86.93 18 A 1 ATOM 139 C CG . LYS A 1 18 ? 3.126 4.918 -4.355 1.00 84.93 18 A 1 ATOM 140 C CD . LYS A 1 18 ? 4.201 5.950 -3.922 1.00 82.31 18 A 1 ATOM 141 C CE . LYS A 1 18 ? 5.467 5.297 -3.377 1.00 81.47 18 A 1 ATOM 142 N NZ . LYS A 1 18 ? 5.306 4.661 -2.070 1.00 76.46 18 A 1 ATOM 143 N N . ARG A 1 19 ? -0.898 7.950 -4.258 1.00 89.22 19 A 1 ATOM 144 C CA . ARG A 1 19 ? -1.916 8.815 -4.892 1.00 89.35 19 A 1 ATOM 145 C C . ARG A 1 19 ? -1.344 10.093 -5.519 1.00 90.69 19 A 1 ATOM 146 O O . ARG A 1 19 ? -1.873 10.576 -6.510 1.00 88.03 19 A 1 ATOM 147 C CB . ARG A 1 19 ? -3.032 9.148 -3.888 1.00 87.10 19 A 1 ATOM 148 C CG . ARG A 1 19 ? -2.560 10.079 -2.759 1.00 82.19 19 A 1 ATOM 149 C CD . ARG A 1 19 ? -3.694 10.409 -1.793 1.00 80.90 19 A 1 ATOM 150 N NE . ARG A 1 19 ? -3.219 11.366 -0.772 1.00 72.94 19 A 1 ATOM 151 C CZ . ARG A 1 19 ? -3.968 12.034 0.082 1.00 66.75 19 A 1 ATOM 152 N NH1 . ARG A 1 19 ? -5.264 11.891 0.116 1.00 60.64 19 A 1 ATOM 153 N NH2 . ARG A 1 19 ? -3.422 12.868 0.925 1.00 58.06 19 A 1 ATOM 154 N N . MET A 1 20 ? -0.268 10.639 -4.952 1.00 88.92 20 A 1 ATOM 155 C CA . MET A 1 20 ? 0.382 11.859 -5.455 1.00 88.44 20 A 1 ATOM 156 C C . MET A 1 20 ? 1.148 11.625 -6.763 1.00 90.56 20 A 1 ATOM 157 O O . MET A 1 20 ? 1.383 12.574 -7.503 1.00 89.15 20 A 1 ATOM 158 C CB . MET A 1 20 ? 1.327 12.427 -4.377 1.00 86.34 20 A 1 ATOM 159 C CG . MET A 1 20 ? 0.606 12.812 -3.077 1.00 81.66 20 A 1 ATOM 160 S SD . MET A 1 20 ? -0.746 14.020 -3.222 1.00 74.07 20 A 1 ATOM 161 C CE . MET A 1 20 ? 0.173 15.468 -3.814 1.00 62.79 20 A 1 ATOM 162 N N . PHE A 1 21 ? 1.494 10.371 -7.051 1.00 91.03 21 A 1 ATOM 163 C CA . PHE A 1 21 ? 2.218 9.974 -8.256 1.00 91.33 21 A 1 ATOM 164 C C . PHE A 1 21 ? 1.319 9.538 -9.412 1.00 93.09 21 A 1 ATOM 165 O O . PHE A 1 21 ? 1.844 9.361 -10.502 1.00 92.42 21 A 1 ATOM 166 C CB . PHE A 1 21 ? 3.218 8.874 -7.906 1.00 90.07 21 A 1 ATOM 167 C CG . PHE A 1 21 ? 4.491 9.409 -7.292 1.00 88.62 21 A 1 ATOM 168 C CD1 . PHE A 1 21 ? 5.452 10.013 -8.124 1.00 84.95 21 A 1 ATOM 169 C CD2 . PHE A 1 21 ? 4.731 9.276 -5.916 1.00 86.09 21 A 1 ATOM 170 C CE1 . PHE A 1 21 ? 6.666 10.462 -7.587 1.00 83.37 21 A 1 ATOM 171 C CE2 . PHE A 1 21 ? 5.947 9.726 -5.381 1.00 83.55 21 A 1 ATOM 172 C CZ . PHE A 1 21 ? 6.916 10.311 -6.216 1.00 84.17 21 A 1 ATOM 173 N N . LEU A 1 22 ? 0.008 9.388 -9.230 1.00 92.33 22 A 1 ATOM 174 C CA . LEU A 1 22 ? -0.874 8.829 -10.267 1.00 93.03 22 A 1 ATOM 175 C C . LEU A 1 22 ? -0.753 9.548 -11.621 1.00 94.22 22 A 1 ATOM 176 O O . LEU A 1 22 ? -0.649 8.890 -12.648 1.00 93.65 22 A 1 ATOM 177 C CB . LEU A 1 22 ? -2.337 8.859 -9.798 1.00 92.27 22 A 1 ATOM 178 C CG . LEU A 1 22 ? -2.689 7.842 -8.701 1.00 90.41 22 A 1 ATOM 179 C CD1 . LEU A 1 22 ? -4.149 8.049 -8.311 1.00 87.54 22 A 1 ATOM 180 C CD2 . LEU A 1 22 ? -2.505 6.397 -9.166 1.00 87.18 22 A 1 ATOM 181 N N . LYS A 1 23 ? -0.701 10.887 -11.623 1.00 94.07 23 A 1 ATOM 182 C CA . LYS A 1 23 ? -0.528 11.661 -12.865 1.00 94.25 23 A 1 ATOM 183 C C . LYS A 1 23 ? 0.832 11.409 -13.522 1.00 95.80 23 A 1 ATOM 184 O O . LYS A 1 23 ? 0.908 11.284 -14.734 1.00 95.43 23 A 1 ATOM 185 C CB . LYS A 1 23 ? -0.690 13.161 -12.597 1.00 93.21 23 A 1 ATOM 186 C CG . LYS A 1 23 ? -2.132 13.556 -12.252 1.00 81.91 23 A 1 ATOM 187 C CD . LYS A 1 23 ? -2.223 15.083 -12.169 1.00 75.08 23 A 1 ATOM 188 C CE . LYS A 1 23 ? -3.660 15.536 -11.916 1.00 65.54 23 A 1 ATOM 189 N NZ . LYS A 1 23 ? -3.760 17.017 -11.970 1.00 55.91 23 A 1 ATOM 190 N N . HIS A 1 24 ? 1.899 11.329 -12.728 1.00 95.04 24 A 1 ATOM 191 C CA . HIS A 1 24 ? 3.239 11.041 -13.240 1.00 95.53 24 A 1 ATOM 192 C C . HIS A 1 24 ? 3.338 9.608 -13.760 1.00 96.47 24 A 1 ATOM 193 O O . HIS A 1 24 ? 3.886 9.388 -14.834 1.00 96.32 24 A 1 ATOM 194 C CB . HIS A 1 24 ? 4.278 11.307 -12.146 1.00 95.32 24 A 1 ATOM 195 C CG . HIS A 1 24 ? 4.325 12.753 -11.725 1.00 94.21 24 A 1 ATOM 196 N ND1 . HIS A 1 24 ? 4.727 13.813 -12.506 1.00 85.90 24 A 1 ATOM 197 C CD2 . HIS A 1 24 ? 3.971 13.262 -10.503 1.00 86.20 24 A 1 ATOM 198 C CE1 . HIS A 1 24 ? 4.630 14.931 -11.768 1.00 87.02 24 A 1 ATOM 199 N NE2 . HIS A 1 24 ? 4.167 14.645 -10.541 1.00 88.71 24 A 1 ATOM 200 N N . PHE A 1 25 ? 2.749 8.654 -13.037 1.00 96.45 25 A 1 ATOM 201 C CA . PHE A 1 25 ? 2.651 7.258 -13.451 1.00 96.63 25 A 1 ATOM 202 C C . PHE A 1 25 ? 1.901 7.117 -14.785 1.00 97.06 25 A 1 ATOM 203 O O . PHE A 1 25 ? 2.409 6.495 -15.712 1.00 96.79 25 A 1 ATOM 204 C CB . PHE A 1 25 ? 1.972 6.472 -12.319 1.00 96.59 25 A 1 ATOM 205 C CG . PHE A 1 25 ? 1.878 4.984 -12.571 1.00 97.13 25 A 1 ATOM 206 C CD1 . PHE A 1 25 ? 0.621 4.369 -12.754 1.00 96.14 25 A 1 ATOM 207 C CD2 . PHE A 1 25 ? 3.046 4.207 -12.601 1.00 96.29 25 A 1 ATOM 208 C CE1 . PHE A 1 25 ? 0.541 2.979 -12.944 1.00 95.79 25 A 1 ATOM 209 C CE2 . PHE A 1 25 ? 2.962 2.818 -12.796 1.00 95.85 25 A 1 ATOM 210 C CZ . PHE A 1 25 ? 1.713 2.202 -12.962 1.00 96.94 25 A 1 ATOM 211 N N . GLU A 1 26 ? 0.743 7.781 -14.915 1.00 95.78 26 A 1 ATOM 212 C CA . GLU A 1 26 ? -0.019 7.850 -16.170 1.00 95.76 26 A 1 ATOM 213 C C . GLU A 1 26 ? 0.811 8.435 -17.322 1.00 96.42 26 A 1 ATOM 214 O O . GLU A 1 26 ? 0.845 7.855 -18.412 1.00 96.35 26 A 1 ATOM 215 C CB . GLU A 1 26 ? -1.302 8.663 -15.919 1.00 94.55 26 A 1 ATOM 216 C CG . GLU A 1 26 ? -2.092 8.981 -17.193 1.00 86.77 26 A 1 ATOM 217 C CD . GLU A 1 26 ? -3.444 9.663 -16.929 1.00 84.75 26 A 1 ATOM 218 O OE1 . GLU A 1 26 ? -4.235 9.747 -17.896 1.00 75.11 26 A 1 ATOM 219 O OE2 . GLU A 1 26 ? -3.680 10.125 -15.783 1.00 78.81 26 A 1 ATOM 220 N N . THR A 1 27 ? 1.510 9.548 -17.087 1.00 96.56 27 A 1 ATOM 221 C CA . THR A 1 27 ? 2.389 10.167 -18.094 1.00 96.88 27 A 1 ATOM 222 C C . THR A 1 27 ? 3.471 9.189 -18.549 1.00 97.55 27 A 1 ATOM 223 O O . THR A 1 27 ? 3.599 8.936 -19.749 1.00 97.26 27 A 1 ATOM 224 C CB . THR A 1 27 ? 3.023 11.460 -17.555 1.00 96.35 27 A 1 ATOM 225 O OG1 . THR A 1 27 ? 2.018 12.390 -17.224 1.00 93.28 27 A 1 ATOM 226 C CG2 . THR A 1 27 ? 3.929 12.146 -18.570 1.00 92.68 27 A 1 ATOM 227 N N . VAL A 1 28 ? 4.192 8.561 -17.610 1.00 97.40 28 A 1 ATOM 228 C CA . VAL A 1 28 ? 5.264 7.601 -17.923 1.00 97.81 28 A 1 ATOM 229 C C . VAL A 1 28 ? 4.726 6.401 -18.706 1.00 98.06 28 A 1 ATOM 230 O O . VAL A 1 28 ? 5.327 6.011 -19.707 1.00 97.78 28 A 1 ATOM 231 C CB . VAL A 1 28 ? 5.996 7.161 -16.638 1.00 97.75 28 A 1 ATOM 232 C CG1 . VAL A 1 28 ? 6.996 6.024 -16.892 1.00 96.72 28 A 1 ATOM 233 C CG2 . VAL A 1 28 ? 6.794 8.334 -16.046 1.00 96.70 28 A 1 ATOM 234 N N . LEU A 1 29 ? 3.578 5.834 -18.307 1.00 98.21 29 A 1 ATOM 235 C CA . LEU A 1 29 ? 2.950 4.732 -19.041 1.00 98.13 29 A 1 ATOM 236 C C . LEU A 1 29 ? 2.577 5.138 -20.472 1.00 98.17 29 A 1 ATOM 237 O O . LEU A 1 29 ? 2.853 4.399 -21.411 1.00 97.81 29 A 1 ATOM 238 C CB . LEU A 1 29 ? 1.696 4.229 -18.299 1.00 97.78 29 A 1 ATOM 239 C CG . LEU A 1 29 ? 1.945 3.443 -16.998 1.00 95.98 29 A 1 ATOM 240 C CD1 . LEU A 1 29 ? 0.591 2.967 -16.467 1.00 94.54 29 A 1 ATOM 241 C CD2 . LEU A 1 29 ? 2.828 2.214 -17.205 1.00 94.31 29 A 1 ATOM 242 N N . ASN A 1 30 ? 1.976 6.315 -20.663 1.00 97.93 30 A 1 ATOM 243 C CA . ASN A 1 30 ? 1.532 6.765 -21.983 1.00 97.76 30 A 1 ATOM 244 C C . ASN A 1 30 ? 2.688 7.147 -22.920 1.00 97.89 30 A 1 ATOM 245 O O . ASN A 1 30 ? 2.597 6.911 -24.131 1.00 97.16 30 A 1 ATOM 246 C CB . ASN A 1 30 ? 0.516 7.902 -21.803 1.00 97.13 30 A 1 ATOM 247 C CG . ASN A 1 30 ? -0.850 7.377 -21.394 1.00 95.92 30 A 1 ATOM 248 O OD1 . ASN A 1 30 ? -1.269 6.300 -21.812 1.00 90.85 30 A 1 ATOM 249 N ND2 . ASN A 1 30 ? -1.595 8.122 -20.618 1.00 90.43 30 A 1 ATOM 250 N N . GLU A 1 31 ? 3.781 7.682 -22.379 1.00 97.86 31 A 1 ATOM 251 C CA . GLU A 1 31 ? 4.977 8.013 -23.161 1.00 97.58 31 A 1 ATOM 252 C C . GLU A 1 31 ? 5.710 6.766 -23.668 1.00 97.77 31 A 1 ATOM 253 O O . GLU A 1 31 ? 6.161 6.749 -24.819 1.00 96.89 31 A 1 ATOM 254 C CB . GLU A 1 31 ? 5.916 8.877 -22.308 1.00 97.14 31 A 1 ATOM 255 C CG . GLU A 1 31 ? 5.399 10.322 -22.170 1.00 93.94 31 A 1 ATOM 256 C CD . GLU A 1 31 ? 6.279 11.194 -21.254 1.00 91.94 31 A 1 ATOM 257 O OE1 . GLU A 1 31 ? 5.994 12.410 -21.182 1.00 84.85 31 A 1 ATOM 258 O OE2 . GLU A 1 31 ? 7.238 10.658 -20.649 1.00 86.34 31 A 1 ATOM 259 N N . ASN A 1 32 ? 5.772 5.703 -22.852 1.00 98.16 32 A 1 ATOM 260 C CA . ASN A 1 32 ? 6.617 4.533 -23.115 1.00 98.07 32 A 1 ATOM 261 C C . ASN A 1 32 ? 5.842 3.304 -23.619 1.00 98.10 32 A 1 ATOM 262 O O . ASN A 1 32 ? 6.388 2.508 -24.386 1.00 97.04 32 A 1 ATOM 263 C CB . ASN A 1 32 ? 7.447 4.241 -21.859 1.00 98.01 32 A 1 ATOM 264 C CG . ASN A 1 32 ? 8.372 5.398 -21.501 1.00 97.82 32 A 1 ATOM 265 O OD1 . ASN A 1 32 ? 9.441 5.579 -22.057 1.00 90.91 32 A 1 ATOM 266 N ND2 . ASN A 1 32 ? 7.972 6.242 -20.586 1.00 92.08 32 A 1 ATOM 267 N N . ILE A 1 33 ? 4.564 3.158 -23.269 1.00 98.21 33 A 1 ATOM 268 C CA . ILE A 1 33 ? 3.699 2.067 -23.733 1.00 98.14 33 A 1 ATOM 269 C C . ILE A 1 33 ? 2.672 2.637 -24.716 1.00 97.81 33 A 1 ATOM 270 O O . ILE A 1 33 ? 1.734 3.345 -24.324 1.00 96.70 33 A 1 ATOM 271 C CB . ILE A 1 33 ? 3.042 1.327 -22.547 1.00 98.14 33 A 1 ATOM 272 C CG1 . ILE A 1 33 ? 4.123 0.767 -21.588 1.00 97.66 33 A 1 ATOM 273 C CG2 . ILE A 1 33 ? 2.120 0.212 -23.074 1.00 97.64 33 A 1 ATOM 274 C CD1 . ILE A 1 33 ? 3.568 0.009 -20.375 1.00 96.78 33 A 1 ATOM 275 N N . LYS A 1 34 ? 2.823 2.341 -26.009 1.00 97.13 34 A 1 ATOM 276 C CA . LYS A 1 34 ? 1.919 2.842 -27.050 1.00 96.59 34 A 1 ATOM 277 C C . LYS A 1 34 ? 0.552 2.151 -26.998 1.00 97.11 34 A 1 ATOM 278 O O . LYS A 1 34 ? 0.432 1.000 -26.592 1.00 95.40 34 A 1 ATOM 279 C CB . LYS A 1 34 ? 2.574 2.756 -28.445 1.00 94.87 34 A 1 ATOM 280 C CG . LYS A 1 34 ? 3.906 3.524 -28.572 1.00 88.09 34 A 1 ATOM 281 C CD . LYS A 1 34 ? 3.814 4.999 -28.152 1.00 78.46 34 A 1 ATOM 282 C CE . LYS A 1 34 ? 5.172 5.693 -28.279 1.00 72.56 34 A 1 ATOM 283 N NZ . LYS A 1 34 ? 5.210 6.953 -27.485 1.00 60.88 34 A 1 ATOM 284 N N . GLY A 1 35 ? -0.477 2.889 -27.438 1.00 96.13 35 A 1 ATOM 285 C CA . GLY A 1 35 ? -1.839 2.376 -27.527 1.00 96.66 35 A 1 ATOM 286 C C . GLY A 1 35 ? -2.413 1.956 -26.170 1.00 97.46 35 A 1 ATOM 287 O O . GLY A 1 35 ? -2.184 2.616 -25.152 1.00 96.45 35 A 1 ATOM 288 N N . ASP A 1 36 ? -3.168 0.867 -26.191 1.00 97.74 36 A 1 ATOM 289 C CA . ASP A 1 36 ? -3.909 0.309 -25.057 1.00 97.62 36 A 1 ATOM 290 C C . ASP A 1 36 ? -3.111 -0.722 -24.232 1.00 98.03 36 A 1 ATOM 291 O O . ASP A 1 36 ? -3.660 -1.328 -23.311 1.00 97.04 36 A 1 ATOM 292 C CB . ASP A 1 36 ? -5.226 -0.271 -25.590 1.00 96.32 36 A 1 ATOM 293 C CG . ASP A 1 36 ? -5.044 -1.286 -26.731 1.00 93.85 36 A 1 ATOM 294 O OD1 . ASP A 1 36 ? -3.920 -1.798 -26.922 1.00 89.34 36 A 1 ATOM 295 O OD2 . ASP A 1 36 ? -6.046 -1.519 -27.456 1.00 88.84 36 A 1 ATOM 296 N N . GLY A 1 37 ? -1.829 -0.909 -24.544 1.00 97.21 37 A 1 ATOM 297 C CA . GLY A 1 37 ? -0.940 -1.825 -23.828 1.00 97.81 37 A 1 ATOM 298 C C . GLY A 1 37 ? -0.998 -3.274 -24.317 1.00 98.38 37 A 1 ATOM 299 O O . GLY A 1 37 ? -0.564 -4.168 -23.602 1.00 97.83 37 A 1 ATOM 300 N N . GLU A 1 38 ? -1.511 -3.532 -25.514 1.00 98.14 38 A 1 ATOM 301 C CA . GLU A 1 38 ? -1.562 -4.882 -26.083 1.00 98.20 38 A 1 ATOM 302 C C . GLU A 1 38 ? -0.173 -5.551 -26.110 1.00 98.34 38 A 1 ATOM 303 O O . GLU A 1 38 ? 0.827 -4.983 -26.562 1.00 97.70 38 A 1 ATOM 304 C CB . GLU A 1 38 ? -2.212 -4.823 -27.472 1.00 97.60 38 A 1 ATOM 305 C CG . GLU A 1 38 ? -2.476 -6.214 -28.064 1.00 94.75 38 A 1 ATOM 306 C CD . GLU A 1 38 ? -3.509 -6.201 -29.207 1.00 91.95 38 A 1 ATOM 307 O OE1 . GLU A 1 38 ? -3.996 -7.305 -29.534 1.00 83.00 38 A 1 ATOM 308 O OE2 . GLU A 1 38 ? -3.912 -5.109 -29.678 1.00 84.33 38 A 1 ATOM 309 N N . GLY A 1 39 ? -0.113 -6.783 -25.592 1.00 98.06 39 A 1 ATOM 310 C CA . GLY A 1 39 ? 1.113 -7.573 -25.474 1.00 98.16 39 A 1 ATOM 311 C C . GLY A 1 39 ? 2.065 -7.134 -24.354 1.00 98.48 39 A 1 ATOM 312 O O . GLY A 1 39 ? 3.159 -7.688 -24.265 1.00 97.79 39 A 1 ATOM 313 N N . TRP A 1 40 ? 1.693 -6.153 -23.526 1.00 98.58 40 A 1 ATOM 314 C CA . TRP A 1 40 ? 2.441 -5.778 -22.323 1.00 98.71 40 A 1 ATOM 315 C C . TRP A 1 40 ? 1.949 -6.543 -21.093 1.00 98.76 40 A 1 ATOM 316 O O . TRP A 1 40 ? 0.753 -6.784 -20.931 1.00 98.53 40 A 1 ATOM 317 C CB . TRP A 1 40 ? 2.372 -4.268 -22.080 1.00 98.65 40 A 1 ATOM 318 C CG . TRP A 1 40 ? 3.255 -3.464 -22.983 1.00 98.60 40 A 1 ATOM 319 C CD1 . TRP A 1 40 ? 2.976 -3.095 -24.257 1.00 98.17 40 A 1 ATOM 320 C CD2 . TRP A 1 40 ? 4.588 -2.944 -22.697 1.00 98.44 40 A 1 ATOM 321 N NE1 . TRP A 1 40 ? 4.041 -2.389 -24.783 1.00 97.93 40 A 1 ATOM 322 C CE2 . TRP A 1 40 ? 5.066 -2.268 -23.860 1.00 98.17 40 A 1 ATOM 323 C CE3 . TRP A 1 40 ? 5.446 -2.985 -21.576 1.00 98.17 40 A 1 ATOM 324 C CZ2 . TRP A 1 40 ? 6.333 -1.666 -23.913 1.00 97.74 40 A 1 ATOM 325 C CZ3 . TRP A 1 40 ? 6.717 -2.379 -21.617 1.00 97.61 40 A 1 ATOM 326 C CH2 . TRP A 1 40 ? 7.161 -1.725 -22.780 1.00 97.32 40 A 1 ATOM 327 N N . THR A 1 41 ? 2.877 -6.844 -20.199 1.00 98.64 41 A 1 ATOM 328 C CA . THR A 1 41 ? 2.588 -7.285 -18.829 1.00 98.68 41 A 1 ATOM 329 C C . THR A 1 41 ? 3.065 -6.203 -17.863 1.00 98.74 41 A 1 ATOM 330 O O . THR A 1 41 ? 4.193 -5.739 -17.974 1.00 98.51 41 A 1 ATOM 331 C CB . THR A 1 41 ? 3.249 -8.638 -18.522 1.00 98.51 41 A 1 ATOM 332 O OG1 . THR A 1 41 ? 2.855 -9.594 -19.482 1.00 96.72 41 A 1 ATOM 333 C CG2 . THR A 1 41 ? 2.827 -9.190 -17.161 1.00 96.74 41 A 1 ATOM 334 N N . ILE A 1 42 ? 2.216 -5.767 -16.936 1.00 98.56 42 A 1 ATOM 335 C CA . ILE A 1 42 ? 2.559 -4.764 -15.918 1.00 98.61 42 A 1 ATOM 336 C C . ILE A 1 42 ? 2.447 -5.440 -14.554 1.00 98.58 42 A 1 ATOM 337 O O . ILE A 1 42 ? 1.356 -5.855 -14.167 1.00 98.35 42 A 1 ATOM 338 C CB . ILE A 1 42 ? 1.666 -3.504 -16.033 1.00 98.57 42 A 1 ATOM 339 C CG1 . ILE A 1 42 ? 1.768 -2.868 -17.442 1.00 98.10 42 A 1 ATOM 340 C CG2 . ILE A 1 42 ? 2.067 -2.489 -14.941 1.00 98.30 42 A 1 ATOM 341 C CD1 . ILE A 1 42 ? 0.837 -1.668 -17.680 1.00 97.09 42 A 1 ATOM 342 N N . ILE A 1 43 ? 3.564 -5.567 -13.850 1.00 98.61 43 A 1 ATOM 343 C CA . ILE A 1 43 ? 3.662 -6.290 -12.579 1.00 98.59 43 A 1 ATOM 344 C C . ILE A 1 43 ? 3.826 -5.279 -11.447 1.00 98.51 43 A 1 ATOM 345 O O . ILE A 1 43 ? 4.904 -4.713 -11.263 1.00 98.10 43 A 1 ATOM 346 C CB . ILE A 1 43 ? 4.807 -7.334 -12.598 1.00 98.45 43 A 1 ATOM 347 C CG1 . ILE A 1 43 ? 4.731 -8.322 -13.792 1.00 97.21 43 A 1 ATOM 348 C CG2 . ILE A 1 43 ? 4.772 -8.153 -11.296 1.00 97.41 43 A 1 ATOM 349 C CD1 . ILE A 1 43 ? 5.537 -7.885 -15.013 1.00 92.81 43 A 1 ATOM 350 N N . ASP A 1 44 ? 2.766 -5.062 -10.676 1.00 98.37 44 A 1 ATOM 351 C CA . ASP A 1 44 ? 2.791 -4.282 -9.435 1.00 98.19 44 A 1 ATOM 352 C C . ASP A 1 44 ? 3.303 -5.183 -8.304 1.00 98.11 44 A 1 ATOM 353 O O . ASP A 1 44 ? 2.553 -5.881 -7.616 1.00 97.14 44 A 1 ATOM 354 C CB . ASP A 1 44 ? 1.396 -3.698 -9.186 1.00 97.66 44 A 1 ATOM 355 C CG . ASP A 1 44 ? 1.323 -2.678 -8.046 1.00 96.92 44 A 1 ATOM 356 O OD1 . ASP A 1 44 ? 2.363 -2.363 -7.430 1.00 95.09 44 A 1 ATOM 357 O OD2 . ASP A 1 44 ? 0.182 -2.188 -7.822 1.00 94.46 44 A 1 ATOM 358 N N . THR A 1 45 ? 4.627 -5.221 -8.190 1.00 97.86 45 A 1 ATOM 359 C CA . THR A 1 45 ? 5.379 -6.231 -7.427 1.00 97.75 45 A 1 ATOM 360 C C . THR A 1 45 ? 5.127 -6.149 -5.924 1.00 97.52 45 A 1 ATOM 361 O O . THR A 1 45 ? 5.136 -7.174 -5.247 1.00 96.39 45 A 1 ATOM 362 C CB . THR A 1 45 ? 6.881 -6.056 -7.682 1.00 97.37 45 A 1 ATOM 363 O OG1 . THR A 1 45 ? 7.150 -6.068 -9.066 1.00 94.65 45 A 1 ATOM 364 C CG2 . THR A 1 45 ? 7.741 -7.148 -7.048 1.00 94.86 45 A 1 ATOM 365 N N . PHE A 1 46 ? 4.919 -4.945 -5.400 1.00 96.33 46 A 1 ATOM 366 C CA . PHE A 1 46 ? 4.660 -4.693 -3.980 1.00 95.23 46 A 1 ATOM 367 C C . PHE A 1 46 ? 3.226 -4.224 -3.725 1.00 94.39 46 A 1 ATOM 368 O O . PHE A 1 46 ? 2.927 -3.786 -2.615 1.00 90.31 46 A 1 ATOM 369 C CB . PHE A 1 46 ? 5.714 -3.722 -3.433 1.00 94.66 46 A 1 ATOM 370 C CG . PHE A 1 46 ? 7.120 -4.286 -3.450 1.00 94.90 46 A 1 ATOM 371 C CD1 . PHE A 1 46 ? 7.569 -5.087 -2.379 1.00 93.64 46 A 1 ATOM 372 C CD2 . PHE A 1 46 ? 7.971 -4.046 -4.542 1.00 93.90 46 A 1 ATOM 373 C CE1 . PHE A 1 46 ? 8.860 -5.638 -2.402 1.00 93.19 46 A 1 ATOM 374 C CE2 . PHE A 1 46 ? 9.265 -4.604 -4.568 1.00 93.50 46 A 1 ATOM 375 C CZ . PHE A 1 46 ? 9.708 -5.398 -3.498 1.00 93.80 46 A 1 ATOM 376 N N . GLY A 1 47 ? 2.381 -4.282 -4.742 1.00 92.58 47 A 1 ATOM 377 C CA . GLY A 1 47 ? 0.929 -4.098 -4.764 1.00 91.68 47 A 1 ATOM 378 C C . GLY A 1 47 ? 0.292 -3.104 -3.797 1.00 91.52 47 A 1 ATOM 379 O O . GLY A 1 47 ? -0.364 -2.137 -4.205 1.00 84.17 47 A 1 ATOM 380 N N . GLY A 1 48 ? 0.492 -3.320 -2.517 1.00 92.84 48 A 1 ATOM 381 C CA . GLY A 1 48 ? -0.010 -2.485 -1.435 1.00 92.69 48 A 1 ATOM 382 C C . GLY A 1 48 ? -1.534 -2.359 -1.484 1.00 94.15 48 A 1 ATOM 383 O O . GLY A 1 48 ? -2.264 -3.315 -1.253 1.00 91.88 48 A 1 ATOM 384 N N . SER A 1 49 ? -2.031 -1.163 -1.806 1.00 94.94 49 A 1 ATOM 385 C CA . SER A 1 49 ? -3.473 -0.923 -1.959 1.00 95.44 49 A 1 ATOM 386 C C . SER A 1 49 ? -4.060 -1.339 -3.315 1.00 96.31 49 A 1 ATOM 387 O O . SER A 1 49 ? -5.263 -1.164 -3.512 1.00 95.41 49 A 1 ATOM 388 C CB . SER A 1 49 ? -3.787 0.550 -1.705 1.00 94.43 49 A 1 ATOM 389 O OG . SER A 1 49 ? -3.175 1.396 -2.663 1.00 92.97 49 A 1 ATOM 390 N N . GLY A 1 50 ? -3.246 -1.775 -4.278 1.00 95.57 50 A 1 ATOM 391 C CA . GLY A 1 50 ? -3.671 -2.042 -5.656 1.00 96.20 50 A 1 ATOM 392 C C . GLY A 1 50 ? -3.942 -0.790 -6.497 1.00 97.01 50 A 1 ATOM 393 O O . GLY A 1 50 ? -4.435 -0.889 -7.616 1.00 96.39 50 A 1 ATOM 394 N N . LEU A 1 51 ? -3.652 0.413 -5.989 1.00 96.51 51 A 1 ATOM 395 C CA . LEU A 1 51 ? -3.973 1.668 -6.688 1.00 96.50 51 A 1 ATOM 396 C C . LEU A 1 51 ? -3.172 1.837 -7.988 1.00 96.96 51 A 1 ATOM 397 O O . LEU A 1 51 ? -3.711 2.346 -8.972 1.00 96.62 51 A 1 ATOM 398 C CB . LEU A 1 51 ? -3.748 2.852 -5.729 1.00 95.86 51 A 1 ATOM 399 C CG . LEU A 1 51 ? -4.143 4.225 -6.313 1.00 94.57 51 A 1 ATOM 400 C CD1 . LEU A 1 51 ? -5.636 4.330 -6.645 1.00 93.20 51 A 1 ATOM 401 C CD2 . LEU A 1 51 ? -3.811 5.324 -5.297 1.00 92.88 51 A 1 ATOM 402 N N . LEU A 1 52 ? -1.907 1.413 -8.008 1.00 97.26 52 A 1 ATOM 403 C CA . LEU A 1 52 ? -1.082 1.446 -9.218 1.00 97.30 52 A 1 ATOM 404 C C . LEU A 1 52 ? -1.542 0.386 -10.224 1.00 97.46 52 A 1 ATOM 405 O O . LEU A 1 52 ? -1.661 0.698 -11.407 1.00 97.20 52 A 1 ATOM 406 C CB . LEU A 1 52 ? 0.405 1.276 -8.857 1.00 97.13 52 A 1 ATOM 407 C CG . LEU A 1 52 ? 1.007 2.427 -8.025 1.00 96.40 52 A 1 ATOM 408 C CD1 . LEU A 1 52 ? 2.438 2.077 -7.621 1.00 95.46 52 A 1 ATOM 409 C CD2 . LEU A 1 52 ? 1.037 3.757 -8.792 1.00 94.98 52 A 1 ATOM 410 N N . SER A 1 53 ? -1.913 -0.812 -9.754 1.00 97.94 53 A 1 ATOM 411 C CA . SER A 1 53 ? -2.513 -1.867 -10.582 1.00 97.95 53 A 1 ATOM 412 C C . SER A 1 53 ? -3.821 -1.415 -11.234 1.00 97.92 53 A 1 ATOM 413 O O . SER A 1 53 ? -3.992 -1.536 -12.449 1.00 97.56 53 A 1 ATOM 414 C CB . SER A 1 53 ? -2.783 -3.101 -9.722 1.00 97.75 53 A 1 ATOM 415 O OG . SER A 1 53 ? -1.595 -3.539 -9.107 1.00 94.15 53 A 1 ATOM 416 N N . HIS A 1 54 ? -4.723 -0.816 -10.449 1.00 97.50 54 A 1 ATOM 417 C CA . HIS A 1 54 ? -5.960 -0.215 -10.951 1.00 97.32 54 A 1 ATOM 418 C C . HIS A 1 54 ? -5.667 0.842 -12.024 1.00 97.25 54 A 1 ATOM 419 O O . HIS A 1 54 ? -6.202 0.781 -13.129 1.00 96.81 54 A 1 ATOM 420 C CB . HIS A 1 54 ? -6.748 0.405 -9.787 1.00 97.13 54 A 1 ATOM 421 C CG . HIS A 1 54 ? -7.960 1.174 -10.267 1.00 96.91 54 A 1 ATOM 422 N ND1 . HIS A 1 54 ? -9.129 0.614 -10.734 1.00 89.08 54 A 1 ATOM 423 C CD2 . HIS A 1 54 ? -8.064 2.530 -10.417 1.00 89.98 54 A 1 ATOM 424 C CE1 . HIS A 1 54 ? -9.915 1.611 -11.165 1.00 91.32 54 A 1 ATOM 425 N NE2 . HIS A 1 54 ? -9.310 2.794 -10.989 1.00 92.44 54 A 1 ATOM 426 N N . ALA A 1 55 ? -4.792 1.800 -11.711 1.00 97.10 55 A 1 ATOM 427 C CA . ALA A 1 55 ? -4.426 2.862 -12.642 1.00 96.91 55 A 1 ATOM 428 C C . ALA A 1 55 ? -3.820 2.293 -13.937 1.00 97.02 55 A 1 ATOM 429 O O . ALA A 1 55 ? -4.236 2.686 -15.023 1.00 96.56 55 A 1 ATOM 430 C CB . ALA A 1 55 ? -3.473 3.834 -11.936 1.00 96.66 55 A 1 ATOM 431 N N . ALA A 1 56 ? -2.899 1.325 -13.833 1.00 97.78 56 A 1 ATOM 432 C CA . ALA A 1 56 ? -2.300 0.659 -14.986 1.00 97.87 56 A 1 ATOM 433 C C . ALA A 1 56 ? -3.363 0.009 -15.877 1.00 97.74 56 A 1 ATOM 434 O O . ALA A 1 56 ? -3.349 0.215 -17.090 1.00 97.38 56 A 1 ATOM 435 C CB . ALA A 1 56 ? -1.285 -0.375 -14.491 1.00 97.93 56 A 1 ATOM 436 N N . LYS A 1 57 ? -4.326 -0.714 -15.289 1.00 97.83 57 A 1 ATOM 437 C CA . LYS A 1 57 ? -5.399 -1.380 -16.038 1.00 97.71 57 A 1 ATOM 438 C C . LYS A 1 57 ? -6.346 -0.394 -16.722 1.00 97.62 57 A 1 ATOM 439 O O . LYS A 1 57 ? -6.735 -0.617 -17.864 1.00 97.09 57 A 1 ATOM 440 C CB . LYS A 1 57 ? -6.157 -2.346 -15.109 1.00 97.51 57 A 1 ATOM 441 C CG . LYS A 1 57 ? -7.127 -3.275 -15.860 1.00 96.09 57 A 1 ATOM 442 C CD . LYS A 1 57 ? -6.394 -4.159 -16.880 1.00 95.27 57 A 1 ATOM 443 C CE . LYS A 1 57 ? -7.320 -5.168 -17.544 1.00 93.69 57 A 1 ATOM 444 N NZ . LYS A 1 57 ? -6.561 -6.021 -18.487 1.00 92.24 57 A 1 ATOM 445 N N . VAL A 1 58 ? -6.684 0.713 -16.058 1.00 97.15 58 A 1 ATOM 446 C CA . VAL A 1 58 ? -7.514 1.779 -16.648 1.00 96.87 58 A 1 ATOM 447 C C . VAL A 1 58 ? -6.794 2.459 -17.818 1.00 96.94 58 A 1 ATOM 448 O O . VAL A 1 58 ? -7.398 2.692 -18.860 1.00 96.30 58 A 1 ATOM 449 C CB . VAL A 1 58 ? -7.927 2.798 -15.566 1.00 96.41 58 A 1 ATOM 450 C CG1 . VAL A 1 58 ? -8.596 4.053 -16.153 1.00 94.42 58 A 1 ATOM 451 C CG2 . VAL A 1 58 ? -8.934 2.174 -14.590 1.00 94.27 58 A 1 ATOM 452 N N . ILE A 1 59 ? -5.501 2.758 -17.673 1.00 97.01 59 A 1 ATOM 453 C CA . ILE A 1 59 ? -4.707 3.470 -18.688 1.00 96.90 59 A 1 ATOM 454 C C . ILE A 1 59 ? -4.349 2.548 -19.865 1.00 97.24 59 A 1 ATOM 455 O O . ILE A 1 59 ? -4.331 2.984 -21.019 1.00 97.00 59 A 1 ATOM 456 C CB . ILE A 1 59 ? -3.439 4.061 -18.024 1.00 96.62 59 A 1 ATOM 457 C CG1 . ILE A 1 59 ? -3.789 5.110 -16.937 1.00 94.61 59 A 1 ATOM 458 C CG2 . ILE A 1 59 ? -2.504 4.724 -19.051 1.00 94.13 59 A 1 ATOM 459 C CD1 . ILE A 1 59 ? -2.663 5.285 -15.907 1.00 89.24 59 A 1 ATOM 460 N N . LYS A 1 60 ? -4.055 1.273 -19.587 1.00 97.48 60 A 1 ATOM 461 C CA . LYS A 1 60 ? -3.630 0.252 -20.558 1.00 97.91 60 A 1 ATOM 462 C C . LYS A 1 60 ? -4.555 -0.972 -20.500 1.00 98.06 60 A 1 ATOM 463 O O . LYS A 1 60 ? -4.150 -2.027 -20.016 1.00 97.88 60 A 1 ATOM 464 C CB . LYS A 1 60 ? -2.142 -0.103 -20.323 1.00 98.04 60 A 1 ATOM 465 C CG . LYS A 1 60 ? -1.173 1.095 -20.408 1.00 97.71 60 A 1 ATOM 466 C CD . LYS A 1 60 ? -1.187 1.779 -21.781 1.00 97.32 60 A 1 ATOM 467 C CE . LYS A 1 60 ? -0.337 3.041 -21.749 1.00 96.16 60 A 1 ATOM 468 N NZ . LYS A 1 60 ? -0.468 3.811 -23.003 1.00 95.29 60 A 1 ATOM 469 N N . PRO A 1 61 ? -5.806 -0.858 -20.971 1.00 97.46 61 A 1 ATOM 470 C CA . PRO A 1 61 ? -6.847 -1.869 -20.750 1.00 97.26 61 A 1 ATOM 471 C C . PRO A 1 61 ? -6.537 -3.241 -21.364 1.00 97.51 61 A 1 ATOM 472 O O . PRO A 1 61 ? -7.027 -4.250 -20.852 1.00 97.13 61 A 1 ATOM 473 C CB . PRO A 1 61 ? -8.133 -1.262 -21.336 1.00 96.61 61 A 1 ATOM 474 C CG . PRO A 1 61 ? -7.630 -0.231 -22.347 1.00 95.47 61 A 1 ATOM 475 C CD . PRO A 1 61 ? -6.362 0.290 -21.680 1.00 97.05 61 A 1 ATOM 476 N N . LYS A 1 62 ? -5.710 -3.317 -22.417 1.00 97.55 62 A 1 ATOM 477 C CA . LYS A 1 62 ? -5.276 -4.592 -23.007 1.00 97.83 62 A 1 ATOM 478 C C . LYS A 1 62 ? -3.976 -5.149 -22.408 1.00 98.18 62 A 1 ATOM 479 O O . LYS A 1 62 ? -3.609 -6.275 -22.740 1.00 98.00 62 A 1 ATOM 480 C CB . LYS A 1 62 ? -5.140 -4.472 -24.525 1.00 97.67 62 A 1 ATOM 481 C CG . LYS A 1 62 ? -6.464 -4.243 -25.258 1.00 95.94 62 A 1 ATOM 482 C CD . LYS A 1 62 ? -6.212 -4.626 -26.716 1.00 90.46 62 A 1 ATOM 483 C CE . LYS A 1 62 ? -7.232 -4.152 -27.733 1.00 86.06 62 A 1 ATOM 484 N NZ . LYS A 1 62 ? -6.547 -4.080 -29.056 1.00 76.40 62 A 1 ATOM 485 N N . ALA A 1 63 ? -3.300 -4.413 -21.540 1.00 98.15 63 A 1 ATOM 486 C CA . ALA A 1 63 ? -2.162 -4.964 -20.819 1.00 98.34 63 A 1 ATOM 487 C C . ALA A 1 63 ? -2.629 -6.065 -19.850 1.00 98.36 63 A 1 ATOM 488 O O . ALA A 1 63 ? -3.706 -5.971 -19.240 1.00 98.06 63 A 1 ATOM 489 C CB . ALA A 1 63 ? -1.392 -3.852 -20.098 1.00 98.32 63 A 1 ATOM 490 N N . HIS A 1 64 ? -1.802 -7.098 -19.694 1.00 98.44 64 A 1 ATOM 491 C CA . HIS A 1 64 ? -1.928 -8.053 -18.605 1.00 98.61 64 A 1 ATOM 492 C C . HIS A 1 64 ? -1.381 -7.390 -17.338 1.00 98.71 64 A 1 ATOM 493 O O . HIS A 1 64 ? -0.195 -7.111 -17.258 1.00 98.43 64 A 1 ATOM 494 C CB . HIS A 1 64 ? -1.172 -9.336 -18.980 1.00 98.45 64 A 1 ATOM 495 C CG . HIS A 1 64 ? -1.246 -10.413 -17.936 1.00 97.79 64 A 1 ATOM 496 N ND1 . HIS A 1 64 ? -0.305 -11.420 -17.771 1.00 87.04 64 A 1 ATOM 497 C CD2 . HIS A 1 64 ? -2.241 -10.593 -17.017 1.00 89.06 64 A 1 ATOM 498 C CE1 . HIS A 1 64 ? -0.740 -12.185 -16.770 1.00 91.53 64 A 1 ATOM 499 N NE2 . HIS A 1 64 ? -1.909 -11.715 -16.289 1.00 93.50 64 A 1 ATOM 500 N N . VAL A 1 65 ? -2.255 -7.058 -16.389 1.00 98.60 65 A 1 ATOM 501 C CA . VAL A 1 65 ? -1.849 -6.405 -15.134 1.00 98.60 65 A 1 ATOM 502 C C . VAL A 1 65 ? -1.879 -7.425 -14.006 1.00 98.61 65 A 1 ATOM 503 O O . VAL A 1 65 ? -2.925 -8.014 -13.745 1.00 98.31 65 A 1 ATOM 504 C CB . VAL A 1 65 ? -2.714 -5.173 -14.811 1.00 98.41 65 A 1 ATOM 505 C CG1 . VAL A 1 65 ? -2.237 -4.483 -13.523 1.00 97.68 65 A 1 ATOM 506 C CG2 . VAL A 1 65 ? -2.655 -4.133 -15.939 1.00 97.67 65 A 1 ATOM 507 N N . ILE A 1 66 ? -0.741 -7.608 -13.355 1.00 98.58 66 A 1 ATOM 508 C CA . ILE A 1 66 ? -0.563 -8.493 -12.204 1.00 98.61 66 A 1 ATOM 509 C C . ILE A 1 66 ? -0.429 -7.625 -10.952 1.00 98.56 66 A 1 ATOM 510 O O . ILE A 1 66 ? 0.475 -6.796 -10.856 1.00 98.26 66 A 1 ATOM 511 C CB . ILE A 1 66 ? 0.657 -9.421 -12.404 1.00 98.56 66 A 1 ATOM 512 C CG1 . ILE A 1 66 ? 0.497 -10.280 -13.685 1.00 98.11 66 A 1 ATOM 513 C CG2 . ILE A 1 66 ? 0.850 -10.314 -11.167 1.00 98.19 66 A 1 ATOM 514 C CD1 . ILE A 1 66 ? 1.715 -11.147 -14.024 1.00 97.04 66 A 1 ATOM 515 N N . TYR A 1 67 ? -1.319 -7.829 -9.992 1.00 98.42 67 A 1 ATOM 516 C CA . TYR A 1 67 ? -1.308 -7.197 -8.679 1.00 98.39 67 A 1 ATOM 517 C C . TYR A 1 67 ? -0.848 -8.208 -7.632 1.00 98.36 67 A 1 ATOM 518 O O . TYR A 1 67 ? -1.564 -9.157 -7.308 1.00 97.79 67 A 1 ATOM 519 C CB . TYR A 1 67 ? -2.709 -6.641 -8.385 1.00 98.08 67 A 1 ATOM 520 C CG . TYR A 1 67 ? -2.975 -6.230 -6.948 1.00 98.04 67 A 1 ATOM 521 C CD1 . TYR A 1 67 ? -4.225 -6.516 -6.365 1.00 96.93 67 A 1 ATOM 522 C CD2 . TYR A 1 67 ? -1.993 -5.572 -6.192 1.00 97.04 67 A 1 ATOM 523 C CE1 . TYR A 1 67 ? -4.492 -6.148 -5.036 1.00 96.58 67 A 1 ATOM 524 C CE2 . TYR A 1 67 ? -2.249 -5.217 -4.855 1.00 96.47 67 A 1 ATOM 525 C CZ . TYR A 1 67 ? -3.500 -5.510 -4.275 1.00 96.78 67 A 1 ATOM 526 O OH . TYR A 1 67 ? -3.743 -5.185 -2.986 1.00 95.53 67 A 1 ATOM 527 N N . ASN A 1 68 ? 0.341 -8.005 -7.090 1.00 98.10 68 A 1 ATOM 528 C CA . ASN A 1 68 ? 0.864 -8.852 -6.024 1.00 97.81 68 A 1 ATOM 529 C C . ASN A 1 68 ? 0.379 -8.358 -4.651 1.00 97.51 68 A 1 ATOM 530 O O . ASN A 1 68 ? 1.013 -7.513 -4.011 1.00 95.88 68 A 1 ATOM 531 C CB . ASN A 1 68 ? 2.387 -8.928 -6.160 1.00 97.33 68 A 1 ATOM 532 C CG . ASN A 1 68 ? 2.998 -9.920 -5.196 1.00 96.91 68 A 1 ATOM 533 O OD1 . ASN A 1 68 ? 2.399 -10.899 -4.769 1.00 92.77 68 A 1 ATOM 534 N ND2 . ASN A 1 68 ? 4.239 -9.710 -4.836 1.00 93.02 68 A 1 ATOM 535 N N . ASP A 1 69 ? -0.750 -8.891 -4.207 1.00 96.81 69 A 1 ATOM 536 C CA . ASP A 1 69 ? -1.430 -8.515 -2.961 1.00 96.02 69 A 1 ATOM 537 C C . ASP A 1 69 ? -0.825 -9.213 -1.735 1.00 94.05 69 A 1 ATOM 538 O O . ASP A 1 69 ? -1.400 -10.132 -1.136 1.00 89.94 69 A 1 ATOM 539 C CB . ASP A 1 69 ? -2.933 -8.764 -3.085 1.00 95.40 69 A 1 ATOM 540 C CG . ASP A 1 69 ? -3.714 -8.221 -1.880 1.00 95.48 69 A 1 ATOM 541 O OD1 . ASP A 1 69 ? -3.159 -7.414 -1.089 1.00 92.67 69 A 1 ATOM 542 O OD2 . ASP A 1 69 ? -4.905 -8.575 -1.751 1.00 92.57 69 A 1 ATOM 543 N N . PHE A 1 70 ? 0.371 -8.780 -1.358 1.00 92.72 70 A 1 ATOM 544 C CA . PHE A 1 70 ? 1.070 -9.362 -0.212 1.00 89.77 70 A 1 ATOM 545 C C . PHE A 1 70 ? 0.400 -9.030 1.136 1.00 88.41 70 A 1 ATOM 546 O O . PHE A 1 70 ? 0.503 -9.810 2.088 1.00 83.57 70 A 1 ATOM 547 C CB . PHE A 1 70 ? 2.543 -8.938 -0.258 1.00 86.78 70 A 1 ATOM 548 C CG . PHE A 1 70 ? 3.471 -10.036 0.216 1.00 84.79 70 A 1 ATOM 549 C CD1 . PHE A 1 70 ? 3.882 -10.101 1.558 1.00 80.58 70 A 1 ATOM 550 C CD2 . PHE A 1 70 ? 3.907 -11.017 -0.695 1.00 80.61 70 A 1 ATOM 551 C CE1 . PHE A 1 70 ? 4.734 -11.137 1.984 1.00 76.21 70 A 1 ATOM 552 C CE2 . PHE A 1 70 ? 4.759 -12.051 -0.269 1.00 77.53 70 A 1 ATOM 553 C CZ . PHE A 1 70 ? 5.172 -12.108 1.071 1.00 76.86 70 A 1 ATOM 554 N N . ASP A 1 71 ? -0.346 -7.906 1.189 1.00 92.09 71 A 1 ATOM 555 C CA . ASP A 1 71 ? -1.011 -7.385 2.390 1.00 91.06 71 A 1 ATOM 556 C C . ASP A 1 71 ? -2.482 -7.829 2.530 1.00 92.23 71 A 1 ATOM 557 O O . ASP A 1 71 ? -3.178 -7.387 3.448 1.00 90.14 71 A 1 ATOM 558 C CB . ASP A 1 71 ? -0.893 -5.849 2.400 1.00 88.06 71 A 1 ATOM 559 C CG . ASP A 1 71 ? 0.541 -5.335 2.572 1.00 84.96 71 A 1 ATOM 560 O OD1 . ASP A 1 71 ? 1.265 -5.901 3.420 1.00 81.37 71 A 1 ATOM 561 O OD2 . ASP A 1 71 ? 0.870 -4.323 1.914 1.00 79.98 71 A 1 ATOM 562 N N . SER A 1 72 ? -2.966 -8.697 1.631 1.00 93.34 72 A 1 ATOM 563 C CA . SER A 1 72 ? -4.360 -9.165 1.588 1.00 94.27 72 A 1 ATOM 564 C C . SER A 1 72 ? -5.378 -8.015 1.503 1.00 95.71 72 A 1 ATOM 565 O O . SER A 1 72 ? -6.439 -8.039 2.125 1.00 95.13 72 A 1 ATOM 566 C CB . SER A 1 72 ? -4.665 -10.144 2.736 1.00 92.46 72 A 1 ATOM 567 O OG . SER A 1 72 ? -3.768 -11.246 2.718 1.00 86.59 72 A 1 ATOM 568 N N . TYR A 1 73 ? -5.043 -6.961 0.752 1.00 96.42 73 A 1 ATOM 569 C CA . TYR A 1 73 ? -5.908 -5.791 0.606 1.00 96.88 73 A 1 ATOM 570 C C . TYR A 1 73 ? -7.187 -6.116 -0.177 1.00 97.38 73 A 1 ATOM 571 O O . TYR A 1 73 ? -8.250 -5.594 0.161 1.00 97.18 73 A 1 ATOM 572 C CB . TYR A 1 73 ? -5.117 -4.652 -0.039 1.00 96.62 73 A 1 ATOM 573 C CG . TYR A 1 73 ? -5.878 -3.342 -0.095 1.00 96.81 73 A 1 ATOM 574 C CD1 . TYR A 1 73 ? -6.568 -2.975 -1.263 1.00 95.98 73 A 1 ATOM 575 C CD2 . TYR A 1 73 ? -5.906 -2.493 1.031 1.00 96.13 73 A 1 ATOM 576 C CE1 . TYR A 1 73 ? -7.284 -1.766 -1.308 1.00 95.57 73 A 1 ATOM 577 C CE2 . TYR A 1 73 ? -6.620 -1.285 0.989 1.00 95.47 73 A 1 ATOM 578 C CZ . TYR A 1 73 ? -7.312 -0.922 -0.181 1.00 96.14 73 A 1 ATOM 579 O OH . TYR A 1 73 ? -8.010 0.240 -0.226 1.00 95.32 73 A 1 ATOM 580 N N . ALA A 1 74 ? -7.115 -7.015 -1.164 1.00 97.21 74 A 1 ATOM 581 C CA . ALA A 1 74 ? -8.282 -7.475 -1.920 1.00 97.47 74 A 1 ATOM 582 C C . ALA A 1 74 ? -9.340 -8.129 -1.011 1.00 97.70 74 A 1 ATOM 583 O O . ALA A 1 74 ? -10.531 -7.855 -1.149 1.00 97.24 74 A 1 ATOM 584 C CB . ALA A 1 74 ? -7.811 -8.436 -3.019 1.00 97.15 74 A 1 ATOM 585 N N . GLU A 1 75 ? -8.906 -8.914 -0.021 1.00 97.33 75 A 1 ATOM 586 C CA . GLU A 1 75 ? -9.803 -9.481 0.996 1.00 97.18 75 A 1 ATOM 587 C C . GLU A 1 75 ? -10.528 -8.369 1.766 1.00 97.55 75 A 1 ATOM 588 O O . GLU A 1 75 ? -11.751 -8.385 1.893 1.00 97.06 75 A 1 ATOM 589 C CB . GLU A 1 75 ? -8.991 -10.370 1.954 1.00 96.30 75 A 1 ATOM 590 C CG . GLU A 1 75 ? -9.879 -11.071 2.994 1.00 92.70 75 A 1 ATOM 591 C CD . GLU A 1 75 ? -9.084 -11.891 4.027 1.00 91.18 75 A 1 ATOM 592 O OE1 . GLU A 1 75 ? -9.732 -12.708 4.723 1.00 81.95 75 A 1 ATOM 593 O OE2 . GLU A 1 75 ? -7.857 -11.672 4.158 1.00 84.98 75 A 1 ATOM 594 N N . ARG A 1 76 ? -9.813 -7.339 2.216 1.00 97.49 76 A 1 ATOM 595 C CA . ARG A 1 76 ? -10.406 -6.205 2.933 1.00 97.60 76 A 1 ATOM 596 C C . ARG A 1 76 ? -11.486 -5.505 2.100 1.00 98.05 76 A 1 ATOM 597 O O . ARG A 1 76 ? -12.508 -5.103 2.651 1.00 97.70 76 A 1 ATOM 598 C CB . ARG A 1 76 ? -9.314 -5.205 3.342 1.00 96.79 76 A 1 ATOM 599 C CG . ARG A 1 76 ? -8.271 -5.794 4.314 1.00 94.94 76 A 1 ATOM 600 C CD . ARG A 1 76 ? -7.098 -4.827 4.526 1.00 94.12 76 A 1 ATOM 601 N NE . ARG A 1 76 ? -7.559 -3.553 5.099 1.00 91.47 76 A 1 ATOM 602 C CZ . ARG A 1 76 ? -7.086 -2.346 4.899 1.00 93.46 76 A 1 ATOM 603 N NH1 . ARG A 1 76 ? -6.006 -2.114 4.211 1.00 85.55 76 A 1 ATOM 604 N NH2 . ARG A 1 76 ? -7.724 -1.328 5.395 1.00 85.06 76 A 1 ATOM 605 N N . LEU A 1 77 ? -11.274 -5.375 0.788 1.00 97.78 77 A 1 ATOM 606 C CA . LEU A 1 77 ? -12.255 -4.775 -0.126 1.00 97.82 77 A 1 ATOM 607 C C . LEU A 1 77 ? -13.557 -5.583 -0.193 1.00 97.98 77 A 1 ATOM 608 O O . LEU A 1 77 ? -14.631 -4.984 -0.225 1.00 97.59 77 A 1 ATOM 609 C CB . LEU A 1 77 ? -11.662 -4.622 -1.537 1.00 97.51 77 A 1 ATOM 610 C CG . LEU A 1 77 ? -10.476 -3.653 -1.673 1.00 96.76 77 A 1 ATOM 611 C CD1 . LEU A 1 77 ? -10.024 -3.631 -3.136 1.00 95.68 77 A 1 ATOM 612 C CD2 . LEU A 1 77 ? -10.835 -2.227 -1.252 1.00 95.47 77 A 1 ATOM 613 N N . ALA A 1 78 ? -13.476 -6.917 -0.148 1.00 97.72 78 A 1 ATOM 614 C CA . ALA A 1 78 ? -14.659 -7.785 -0.151 1.00 97.56 78 A 1 ATOM 615 C C . ALA A 1 78 ? -15.554 -7.580 1.089 1.00 97.96 78 A 1 ATOM 616 O O . ALA A 1 78 ? -16.760 -7.808 1.032 1.00 97.49 78 A 1 ATOM 617 C CB . ALA A 1 78 ? -14.188 -9.240 -0.272 1.00 97.01 78 A 1 ATOM 618 N N . TYR A 1 79 ? -14.980 -7.090 2.187 1.00 98.04 79 A 1 ATOM 619 C CA . TYR A 1 79 ? -15.674 -6.870 3.463 1.00 98.27 79 A 1 ATOM 620 C C . TYR A 1 79 ? -15.965 -5.389 3.775 1.00 98.49 79 A 1 ATOM 621 O O . TYR A 1 79 ? -16.151 -5.013 4.937 1.00 98.24 79 A 1 ATOM 622 C CB . TYR A 1 79 ? -14.901 -7.575 4.575 1.00 98.11 79 A 1 ATOM 623 C CG . TYR A 1 79 ? -14.881 -9.087 4.454 1.00 97.83 79 A 1 ATOM 624 C CD1 . TYR A 1 79 ? -16.048 -9.834 4.715 1.00 96.26 79 A 1 ATOM 625 C CD2 . TYR A 1 79 ? -13.698 -9.747 4.079 1.00 96.51 79 A 1 ATOM 626 C CE1 . TYR A 1 79 ? -16.025 -11.240 4.611 1.00 95.31 79 A 1 ATOM 627 C CE2 . TYR A 1 79 ? -13.672 -11.150 3.973 1.00 95.53 79 A 1 ATOM 628 C CZ . TYR A 1 79 ? -14.835 -11.899 4.241 1.00 95.45 79 A 1 ATOM 629 O OH . TYR A 1 79 ? -14.808 -13.255 4.147 1.00 93.59 79 A 1 ATOM 630 N N . ILE A 1 80 ? -16.044 -4.519 2.765 1.00 98.38 80 A 1 ATOM 631 C CA . ILE A 1 80 ? -16.386 -3.096 2.966 1.00 98.43 80 A 1 ATOM 632 C C . ILE A 1 80 ? -17.733 -2.926 3.685 1.00 98.57 80 A 1 ATOM 633 O O . ILE A 1 80 ? -17.858 -2.058 4.553 1.00 98.38 80 A 1 ATOM 634 C CB . ILE A 1 80 ? -16.347 -2.335 1.615 1.00 97.97 80 A 1 ATOM 635 C CG1 . ILE A 1 80 ? -14.872 -2.027 1.275 1.00 96.48 80 A 1 ATOM 636 C CG2 . ILE A 1 80 ? -17.157 -1.018 1.649 1.00 96.50 80 A 1 ATOM 637 C CD1 . ILE A 1 80 ? -14.647 -1.441 -0.123 1.00 93.93 80 A 1 ATOM 638 N N . ASN A 1 81 ? -18.724 -3.765 3.374 1.00 98.27 81 A 1 ATOM 639 C CA . ASN A 1 81 ? -20.042 -3.698 4.014 1.00 98.23 81 A 1 ATOM 640 C C . ASN A 1 81 ? -19.968 -3.993 5.521 1.00 98.48 81 A 1 ATOM 641 O O . ASN A 1 81 ? -20.525 -3.239 6.321 1.00 98.33 81 A 1 ATOM 642 C CB . ASN A 1 81 ? -21.007 -4.651 3.288 1.00 97.72 81 A 1 ATOM 643 C CG . ASN A 1 81 ? -21.375 -4.151 1.898 1.00 95.80 81 A 1 ATOM 644 O OD1 . ASN A 1 81 ? -21.313 -2.970 1.598 1.00 88.88 81 A 1 ATOM 645 N ND2 . ASN A 1 81 ? -21.776 -5.032 1.013 1.00 88.09 81 A 1 ATOM 646 N N . ASP A 1 82 ? -19.215 -5.022 5.917 1.00 98.41 82 A 1 ATOM 647 C CA . ASP A 1 82 ? -18.977 -5.337 7.334 1.00 98.56 82 A 1 ATOM 648 C C . ASP A 1 82 ? -18.222 -4.201 8.034 1.00 98.68 82 A 1 ATOM 649 O O . ASP A 1 82 ? -18.584 -3.764 9.130 1.00 98.45 82 A 1 ATOM 650 C CB . ASP A 1 82 ? -18.146 -6.625 7.452 1.00 98.36 82 A 1 ATOM 651 C CG . ASP A 1 82 ? -18.930 -7.907 7.192 1.00 98.08 82 A 1 ATOM 652 O OD1 . ASP A 1 82 ? -20.154 -7.830 6.944 1.00 95.66 82 A 1 ATOM 653 O OD2 . ASP A 1 82 ? -18.287 -8.972 7.311 1.00 95.64 82 A 1 ATOM 654 N N . THR A 1 83 ? -17.201 -3.669 7.359 1.00 98.62 83 A 1 ATOM 655 C CA . THR A 1 83 ? -16.415 -2.532 7.847 1.00 98.59 83 A 1 ATOM 656 C C . THR A 1 83 ? -17.312 -1.316 8.097 1.00 98.64 83 A 1 ATOM 657 O O . THR A 1 83 ? -17.247 -0.703 9.166 1.00 98.41 83 A 1 ATOM 658 C CB . THR A 1 83 ? -15.291 -2.213 6.845 1.00 98.31 83 A 1 ATOM 659 O OG1 . THR A 1 83 ? -14.438 -3.332 6.718 1.00 96.89 83 A 1 ATOM 660 C CG2 . THR A 1 83 ? -14.408 -1.058 7.298 1.00 96.86 83 A 1 ATOM 661 N N . ASN A 1 84 ? -18.218 -0.998 7.167 1.00 98.35 84 A 1 ATOM 662 C CA . ASN A 1 84 ? -19.187 0.086 7.317 1.00 98.24 84 A 1 ATOM 663 C C . ASN A 1 84 ? -20.218 -0.189 8.427 1.00 98.27 84 A 1 ATOM 664 O O . ASN A 1 84 ? -20.518 0.709 9.221 1.00 98.01 84 A 1 ATOM 665 C CB . ASN A 1 84 ? -19.863 0.325 5.956 1.00 97.95 84 A 1 ATOM 666 C CG . ASN A 1 84 ? -18.993 1.116 4.992 1.00 97.73 84 A 1 ATOM 667 O OD1 . ASN A 1 84 ? -18.127 1.891 5.383 1.00 94.29 84 A 1 ATOM 668 N ND2 . ASN A 1 84 ? -19.249 1.013 3.710 1.00 94.08 84 A 1 ATOM 669 N N . ALA A 1 85 ? -20.701 -1.428 8.543 1.00 98.54 85 A 1 ATOM 670 C CA . ALA A 1 85 ? -21.622 -1.818 9.613 1.00 98.51 85 A 1 ATOM 671 C C . ALA A 1 85 ? -20.984 -1.640 11.003 1.00 98.49 85 A 1 ATOM 672 O O . ALA A 1 85 ? -21.585 -1.027 11.890 1.00 98.18 85 A 1 ATOM 673 C CB . ALA A 1 85 ? -22.074 -3.264 9.367 1.00 98.48 85 A 1 ATOM 674 N N . LEU A 1 86 ? -19.735 -2.103 11.179 1.00 98.47 86 A 1 ATOM 675 C CA . LEU A 1 86 ? -18.994 -1.915 12.430 1.00 98.45 86 A 1 ATOM 676 C C . LEU A 1 86 ? -18.711 -0.433 12.707 1.00 98.40 86 A 1 ATOM 677 O O . LEU A 1 86 ? -18.897 0.036 13.834 1.00 98.20 86 A 1 ATOM 678 C CB . LEU A 1 86 ? -17.706 -2.760 12.373 1.00 98.49 86 A 1 ATOM 679 C CG . LEU A 1 86 ? -16.848 -2.685 13.646 1.00 98.08 86 A 1 ATOM 680 C CD1 . LEU A 1 86 ? -17.615 -3.074 14.913 1.00 97.46 86 A 1 ATOM 681 C CD2 . LEU A 1 86 ? -15.655 -3.632 13.512 1.00 97.60 86 A 1 ATOM 682 N N . ARG A 1 87 ? -18.326 0.330 11.680 1.00 98.40 87 A 1 ATOM 683 C CA . ARG A 1 87 ? -18.145 1.788 11.778 1.00 98.21 87 A 1 ATOM 684 C C . ARG A 1 87 ? -19.393 2.472 12.309 1.00 98.11 87 A 1 ATOM 685 O O . ARG A 1 87 ? -19.290 3.313 13.199 1.00 97.69 87 A 1 ATOM 686 C CB . ARG A 1 87 ? -17.764 2.356 10.398 1.00 97.79 87 A 1 ATOM 687 C CG . ARG A 1 87 ? -17.448 3.863 10.436 1.00 95.78 87 A 1 ATOM 688 C CD . ARG A 1 87 ? -17.838 4.559 9.126 1.00 95.13 87 A 1 ATOM 689 N NE . ARG A 1 87 ? -19.300 4.638 8.937 1.00 91.73 87 A 1 ATOM 690 C CZ . ARG A 1 87 ? -20.145 5.496 9.476 1.00 92.53 87 A 1 ATOM 691 N NH1 . ARG A 1 87 ? -19.772 6.431 10.301 1.00 81.86 87 A 1 ATOM 692 N NH2 . ARG A 1 87 ? -21.414 5.426 9.179 1.00 84.08 87 A 1 ATOM 693 N N . THR A 1 88 ? -20.560 2.117 11.761 1.00 98.14 88 A 1 ATOM 694 C CA . THR A 1 88 ? -21.850 2.700 12.157 1.00 97.87 88 A 1 ATOM 695 C C . THR A 1 88 ? -22.154 2.429 13.629 1.00 97.80 88 A 1 ATOM 696 O O . THR A 1 88 ? -22.496 3.364 14.356 1.00 97.38 88 A 1 ATOM 697 C CB . THR A 1 88 ? -22.975 2.189 11.239 1.00 97.46 88 A 1 ATOM 698 O OG1 . THR A 1 88 ? -22.716 2.645 9.932 1.00 93.87 88 A 1 ATOM 699 C CG2 . THR A 1 88 ? -24.355 2.729 11.618 1.00 93.30 88 A 1 ATOM 700 N N . GLN A 1 89 ? -21.935 1.197 14.105 1.00 97.95 89 A 1 ATOM 701 C CA . GLN A 1 89 ? -22.141 0.842 15.517 1.00 97.89 89 A 1 ATOM 702 C C . GLN A 1 89 ? -21.215 1.635 16.456 1.00 97.94 89 A 1 ATOM 703 O O . GLN A 1 89 ? -21.674 2.214 17.445 1.00 97.60 89 A 1 ATOM 704 C CB . GLN A 1 89 ? -21.923 -0.669 15.715 1.00 98.01 89 A 1 ATOM 705 C CG . GLN A 1 89 ? -23.001 -1.527 15.031 1.00 97.14 89 A 1 ATOM 706 C CD . GLN A 1 89 ? -22.742 -3.016 15.208 1.00 96.62 89 A 1 ATOM 707 O OE1 . GLN A 1 89 ? -22.309 -3.483 16.253 1.00 90.54 89 A 1 ATOM 708 N NE2 . GLN A 1 89 ? -23.008 -3.833 14.212 1.00 88.99 89 A 1 ATOM 709 N N . ILE A 1 90 ? -19.923 1.701 16.126 1.00 97.63 90 A 1 ATOM 710 C CA . ILE A 1 90 ? -18.939 2.448 16.925 1.00 97.66 90 A 1 ATOM 711 C C . ILE A 1 90 ? -19.264 3.946 16.921 1.00 97.47 90 A 1 ATOM 712 O O . ILE A 1 90 ? -19.243 4.587 17.972 1.00 97.17 90 A 1 ATOM 713 C CB . ILE A 1 90 ? -17.506 2.166 16.408 1.00 97.98 90 A 1 ATOM 714 C CG1 . ILE A 1 90 ? -17.125 0.690 16.681 1.00 97.70 90 A 1 ATOM 715 C CG2 . ILE A 1 90 ? -16.482 3.106 17.077 1.00 97.75 90 A 1 ATOM 716 C CD1 . ILE A 1 90 ? -15.810 0.254 16.022 1.00 97.02 90 A 1 ATOM 717 N N . PHE A 1 91 ? -19.597 4.506 15.761 1.00 97.54 91 A 1 ATOM 718 C CA . PHE A 1 91 ? -19.932 5.922 15.629 1.00 96.84 91 A 1 ATOM 719 C C . PHE A 1 91 ? -21.187 6.290 16.430 1.00 96.76 91 A 1 ATOM 720 O O . PHE A 1 91 ? -21.163 7.268 17.178 1.00 96.09 91 A 1 ATOM 721 C CB . PHE A 1 91 ? -20.089 6.275 14.144 1.00 96.00 91 A 1 ATOM 722 C CG . PHE A 1 91 ? -20.305 7.758 13.909 1.00 94.83 91 A 1 ATOM 723 C CD1 . PHE A 1 91 ? -21.603 8.267 13.711 1.00 92.03 91 A 1 ATOM 724 C CD2 . PHE A 1 91 ? -19.207 8.635 13.932 1.00 92.25 91 A 1 ATOM 725 C CE1 . PHE A 1 91 ? -21.799 9.648 13.539 1.00 90.73 91 A 1 ATOM 726 C CE2 . PHE A 1 91 ? -19.403 10.017 13.763 1.00 90.79 91 A 1 ATOM 727 C CZ . PHE A 1 91 ? -20.700 10.525 13.567 1.00 90.94 91 A 1 ATOM 728 N N . ALA A 1 92 ? -22.245 5.472 16.335 1.00 96.82 92 A 1 ATOM 729 C CA . ALA A 1 92 ? -23.473 5.658 17.108 1.00 96.52 92 A 1 ATOM 730 C C . ALA A 1 92 ? -23.206 5.589 18.619 1.00 96.54 92 A 1 ATOM 731 O O . ALA A 1 92 ? -23.738 6.400 19.378 1.00 95.77 92 A 1 ATOM 732 C CB . ALA A 1 92 ? -24.491 4.594 16.671 1.00 96.41 92 A 1 ATOM 733 N N . LYS A 1 93 ? -22.334 4.669 19.055 1.00 96.44 93 A 1 ATOM 734 C CA . LYS A 1 93 ? -21.969 4.538 20.470 1.00 96.62 93 A 1 ATOM 735 C C . LYS A 1 93 ? -21.199 5.747 21.002 1.00 96.82 93 A 1 ATOM 736 O O . LYS A 1 93 ? -21.423 6.139 22.147 1.00 96.19 93 A 1 ATOM 737 C CB . LYS A 1 93 ? -21.186 3.233 20.676 1.00 96.78 93 A 1 ATOM 738 C CG . LYS A 1 93 ? -20.881 2.939 22.159 1.00 96.03 93 A 1 ATOM 739 C CD . LYS A 1 93 ? -22.170 2.861 23.015 1.00 94.42 93 A 1 ATOM 740 C CE . LYS A 1 93 ? -21.783 2.471 24.431 1.00 91.78 93 A 1 ATOM 741 N NZ . LYS A 1 93 ? -22.906 2.523 25.385 1.00 87.49 93 A 1 ATOM 742 N N . ILE A 1 94 ? -20.310 6.327 20.199 1.00 96.36 94 A 1 ATOM 743 C CA . ILE A 1 94 ? -19.614 7.564 20.578 1.00 95.64 94 A 1 ATOM 744 C C . ILE A 1 94 ? -20.609 8.730 20.646 1.00 94.67 94 A 1 ATOM 745 O O . ILE A 1 94 ? -20.561 9.513 21.599 1.00 91.97 94 A 1 ATOM 746 C CB . ILE A 1 94 ? -18.438 7.848 19.616 1.00 95.90 94 A 1 ATOM 747 C CG1 . ILE A 1 94 ? -17.345 6.763 19.765 1.00 95.05 94 A 1 ATOM 748 C CG2 . ILE A 1 94 ? -17.823 9.233 19.908 1.00 94.63 94 A 1 ATOM 749 C CD1 . ILE A 1 94 ? -16.269 6.807 18.674 1.00 94.15 94 A 1 ATOM 750 N N . GLY A 1 95 ? -21.520 8.827 19.667 1.00 94.20 95 A 1 ATOM 751 C CA . GLY A 1 95 ? -22.521 9.892 19.593 1.00 92.35 95 A 1 ATOM 752 C C . GLY A 1 95 ? -21.905 11.285 19.799 1.00 92.51 95 A 1 ATOM 753 O O . GLY A 1 95 ? -20.848 11.600 19.261 1.00 87.92 95 A 1 ATOM 754 N N . ASN A 1 96 ? -22.547 12.079 20.645 1.00 91.21 96 A 1 ATOM 755 C CA . ASN A 1 96 ? -22.076 13.416 21.029 1.00 89.52 96 A 1 ATOM 756 C C . ASN A 1 96 ? -21.229 13.424 22.318 1.00 90.02 96 A 1 ATOM 757 O O . ASN A 1 96 ? -20.866 14.491 22.804 1.00 86.16 96 A 1 ATOM 758 C CB . ASN A 1 96 ? -23.295 14.356 21.118 1.00 86.90 96 A 1 ATOM 759 C CG . ASN A 1 96 ? -23.972 14.572 19.776 1.00 81.78 96 A 1 ATOM 760 O OD1 . ASN A 1 96 ? -23.371 14.498 18.720 1.00 75.94 96 A 1 ATOM 761 N ND2 . ASN A 1 96 ? -25.255 14.845 19.772 1.00 75.30 96 A 1 ATOM 762 N N . ALA A 1 97 ? -20.910 12.243 22.875 1.00 88.36 97 A 1 ATOM 763 C CA . ALA A 1 97 ? -20.220 12.138 24.163 1.00 86.77 97 A 1 ATOM 764 C C . ALA A 1 97 ? -18.768 12.641 24.120 1.00 89.36 97 A 1 ATOM 765 O O . ALA A 1 97 ? -18.212 13.041 25.142 1.00 84.74 97 A 1 ATOM 766 C CB . ALA A 1 97 ? -20.271 10.673 24.619 1.00 84.10 97 A 1 ATOM 767 N N . THR A 1 98 ? -18.132 12.595 22.952 1.00 91.46 98 A 1 ATOM 768 C CA . THR A 1 98 ? -16.750 13.062 22.783 1.00 91.97 98 A 1 ATOM 769 C C . THR A 1 98 ? -16.602 13.815 21.464 1.00 93.23 98 A 1 ATOM 770 O O . THR A 1 98 ? -16.925 13.257 20.412 1.00 92.03 98 A 1 ATOM 771 C CB . THR A 1 98 ? -15.761 11.888 22.845 1.00 90.20 98 A 1 ATOM 772 O OG1 . THR A 1 98 ? -15.886 11.224 24.084 1.00 86.07 98 A 1 ATOM 773 C CG2 . THR A 1 98 ? -14.303 12.344 22.756 1.00 85.73 98 A 1 ATOM 774 N N . PRO A 1 99 ? -16.062 15.050 21.474 1.00 92.21 99 A 1 ATOM 775 C CA . PRO A 1 99 ? -15.777 15.785 20.247 1.00 91.59 99 A 1 ATOM 776 C C . PRO A 1 99 ? -14.774 15.052 19.346 1.00 92.42 99 A 1 ATOM 777 O O . PRO A 1 99 ? -13.906 14.305 19.808 1.00 90.86 99 A 1 ATOM 778 C CB . PRO A 1 99 ? -15.240 17.152 20.684 1.00 90.49 99 A 1 ATOM 779 C CG . PRO A 1 99 ? -15.785 17.321 22.099 1.00 89.62 99 A 1 ATOM 780 C CD . PRO A 1 99 ? -15.804 15.893 22.634 1.00 92.32 99 A 1 ATOM 781 N N . LYS A 1 100 ? -14.845 15.314 18.040 1.00 93.71 100 A 1 ATOM 782 C CA . LYS A 1 100 ? -13.894 14.798 17.048 1.00 93.31 100 A 1 ATOM 783 C C . LYS A 1 100 ? -12.442 15.114 17.446 1.00 93.98 100 A 1 ATOM 784 O O . LYS A 1 100 ? -12.152 16.194 17.966 1.00 91.42 100 A 1 ATOM 785 C CB . LYS A 1 100 ? -14.255 15.403 15.681 1.00 91.33 100 A 1 ATOM 786 C CG . LYS A 1 100 ? -13.542 14.745 14.495 1.00 83.82 100 A 1 ATOM 787 C CD . LYS A 1 100 ? -14.072 13.344 14.205 1.00 80.38 100 A 1 ATOM 788 C CE . LYS A 1 100 ? -13.344 12.792 12.978 1.00 75.69 100 A 1 ATOM 789 N NZ . LYS A 1 100 ? -13.969 11.548 12.526 1.00 66.91 100 A 1 ATOM 790 N N . ASN A 1 101 ? -11.541 14.168 17.177 1.00 92.89 101 A 1 ATOM 791 C CA . ASN A 1 101 ? -10.104 14.257 17.474 1.00 92.01 101 A 1 ATOM 792 C C . ASN A 1 101 ? -9.769 14.427 18.971 1.00 93.10 101 A 1 ATOM 793 O O . ASN A 1 101 ? -8.675 14.883 19.313 1.00 90.85 101 A 1 ATOM 794 C CB . ASN A 1 101 ? -9.432 15.319 16.579 1.00 90.26 101 A 1 ATOM 795 C CG . ASN A 1 101 ? -9.661 15.096 15.097 1.00 87.23 101 A 1 ATOM 796 O OD1 . ASN A 1 101 ? -9.758 13.985 14.601 1.00 80.90 101 A 1 ATOM 797 N ND2 . ASN A 1 101 ? -9.758 16.155 14.327 1.00 79.55 101 A 1 ATOM 798 N N . LYS A 1 102 ? -10.685 14.052 19.873 1.00 92.48 102 A 1 ATOM 799 C CA . LYS A 1 102 ? -10.434 14.007 21.319 1.00 93.45 102 A 1 ATOM 800 C C . LYS A 1 102 ? -10.329 12.567 21.814 1.00 95.24 102 A 1 ATOM 801 O O . LYS A 1 102 ? -10.891 11.645 21.223 1.00 94.15 102 A 1 ATOM 802 C CB . LYS A 1 102 ? -11.499 14.812 22.080 1.00 92.41 102 A 1 ATOM 803 C CG . LYS A 1 102 ? -11.520 16.310 21.722 1.00 90.05 102 A 1 ATOM 804 C CD . LYS A 1 102 ? -10.208 17.038 22.053 1.00 85.48 102 A 1 ATOM 805 C CE . LYS A 1 102 ? -10.347 18.535 21.746 1.00 80.55 102 A 1 ATOM 806 N NZ . LYS A 1 102 ? -9.112 19.287 22.084 1.00 69.16 102 A 1 ATOM 807 N N . ARG A 1 103 ? -9.582 12.384 22.904 1.00 95.41 103 A 1 ATOM 808 C CA . ARG A 1 103 ? -9.418 11.095 23.586 1.00 95.89 103 A 1 ATOM 809 C C . ARG A 1 103 ? -10.751 10.638 24.169 1.00 96.23 103 A 1 ATOM 810 O O . ARG A 1 103 ? -11.460 11.435 24.781 1.00 95.03 103 A 1 ATOM 811 C CB . ARG A 1 103 ? -8.330 11.223 24.663 1.00 95.23 103 A 1 ATOM 812 C CG . ARG A 1 103 ? -7.949 9.885 25.319 1.00 91.54 103 A 1 ATOM 813 C CD . ARG A 1 103 ? -6.810 10.126 26.316 1.00 89.69 103 A 1 ATOM 814 N NE . ARG A 1 103 ? -6.433 8.909 27.060 1.00 80.40 103 A 1 ATOM 815 C CZ . ARG A 1 103 ? -5.608 8.860 28.093 1.00 76.15 103 A 1 ATOM 816 N NH1 . ARG A 1 103 ? -5.011 9.913 28.555 1.00 68.53 103 A 1 ATOM 817 N NH2 . ARG A 1 103 ? -5.357 7.740 28.696 1.00 65.66 103 A 1 ATOM 818 N N . LEU A 1 104 ? -11.066 9.350 23.999 1.00 96.57 104 A 1 ATOM 819 C CA . LEU A 1 104 ? -12.282 8.754 24.542 1.00 96.93 104 A 1 ATOM 820 C C . LEU A 1 104 ? -12.118 8.437 26.039 1.00 97.12 104 A 1 ATOM 821 O O . LEU A 1 104 ? -11.058 7.956 26.456 1.00 96.87 104 A 1 ATOM 822 C CB . LEU A 1 104 ? -12.670 7.499 23.739 1.00 97.06 104 A 1 ATOM 823 C CG . LEU A 1 104 ? -12.922 7.734 22.234 1.00 95.90 104 A 1 ATOM 824 C CD1 . LEU A 1 104 ? -13.352 6.427 21.569 1.00 93.31 104 A 1 ATOM 825 C CD2 . LEU A 1 104 ? -14.020 8.765 21.976 1.00 93.18 104 A 1 ATOM 826 N N . PRO A 1 105 ? -13.171 8.647 26.862 1.00 96.59 105 A 1 ATOM 827 C CA . PRO A 1 105 ? -13.201 8.176 28.247 1.00 96.30 105 A 1 ATOM 828 C C . PRO A 1 105 ? -13.002 6.655 28.344 1.00 97.03 105 A 1 ATOM 829 O O . PRO A 1 105 ? -13.427 5.902 27.466 1.00 96.93 105 A 1 ATOM 830 C CB . PRO A 1 105 ? -14.569 8.590 28.803 1.00 95.09 105 A 1 ATOM 831 C CG . PRO A 1 105 ? -14.981 9.766 27.925 1.00 93.01 105 A 1 ATOM 832 C CD . PRO A 1 105 ? -14.384 9.400 26.565 1.00 95.72 105 A 1 ATOM 833 N N . LYS A 1 106 ? -12.405 6.174 29.447 1.00 96.79 106 A 1 ATOM 834 C CA . LYS A 1 106 ? -12.145 4.736 29.672 1.00 96.87 106 A 1 ATOM 835 C C . LYS A 1 106 ? -13.424 3.884 29.635 1.00 97.49 106 A 1 ATOM 836 O O . LYS A 1 106 ? -13.387 2.769 29.122 1.00 97.13 106 A 1 ATOM 837 C CB . LYS A 1 106 ? -11.421 4.516 31.014 1.00 96.28 106 A 1 ATOM 838 C CG . LYS A 1 106 ? -9.969 5.025 31.033 1.00 93.01 106 A 1 ATOM 839 C CD . LYS A 1 106 ? -9.297 4.658 32.368 1.00 87.20 106 A 1 ATOM 840 C CE . LYS A 1 106 ? -7.833 5.119 32.416 1.00 83.76 106 A 1 ATOM 841 N NZ . LYS A 1 106 ? -7.169 4.741 33.697 1.00 72.02 106 A 1 ATOM 842 N N . SER A 1 107 ? -14.537 4.405 30.163 1.00 96.62 107 A 1 ATOM 843 C CA . SER A 1 107 ? -15.845 3.734 30.121 1.00 96.54 107 A 1 ATOM 844 C C . SER A 1 107 ? -16.321 3.525 28.682 1.00 97.10 107 A 1 ATOM 845 O O . SER A 1 107 ? -16.629 2.397 28.295 1.00 96.64 107 A 1 ATOM 846 C CB . SER A 1 107 ? -16.880 4.552 30.908 1.00 96.06 107 A 1 ATOM 847 O OG . SER A 1 107 ? -16.845 5.909 30.507 1.00 91.48 107 A 1 ATOM 848 N N . LEU A 1 108 ? -16.271 4.573 27.860 1.00 96.54 108 A 1 ATOM 849 C CA . LEU A 1 108 ? -16.672 4.519 26.456 1.00 96.81 108 A 1 ATOM 850 C C . LEU A 1 108 ? -15.746 3.615 25.631 1.00 97.50 108 A 1 ATOM 851 O O . LEU A 1 108 ? -16.219 2.831 24.811 1.00 97.39 108 A 1 ATOM 852 C CB . LEU A 1 108 ? -16.723 5.956 25.914 1.00 96.39 108 A 1 ATOM 853 C CG . LEU A 1 108 ? -17.232 6.073 24.469 1.00 93.23 108 A 1 ATOM 854 C CD1 . LEU A 1 108 ? -18.619 5.468 24.281 1.00 90.16 108 A 1 ATOM 855 C CD2 . LEU A 1 108 ? -17.304 7.554 24.094 1.00 91.25 108 A 1 ATOM 856 N N . LYS A 1 109 ? -14.427 3.646 25.898 1.00 97.22 109 A 1 ATOM 857 C CA . LYS A 1 109 ? -13.469 2.692 25.312 1.00 97.65 109 A 1 ATOM 858 C C . LYS A 1 109 ? -13.876 1.242 25.599 1.00 98.02 109 A 1 ATOM 859 O O . LYS A 1 109 ? -13.902 0.432 24.681 1.00 98.01 109 A 1 ATOM 860 C CB . LYS A 1 109 ? -12.046 3.006 25.818 1.00 97.51 109 A 1 ATOM 861 C CG . LYS A 1 109 ? -11.042 1.937 25.362 1.00 97.40 109 A 1 ATOM 862 C CD . LYS A 1 109 ? -9.613 2.180 25.850 1.00 96.63 109 A 1 ATOM 863 C CE . LYS A 1 109 ? -8.808 0.939 25.454 1.00 94.34 109 A 1 ATOM 864 N NZ . LYS A 1 109 ? -7.405 0.967 25.900 1.00 92.79 109 A 1 ATOM 865 N N . ALA A 1 110 ? -14.216 0.917 26.851 1.00 97.70 110 A 1 ATOM 866 C CA . ALA A 1 110 ? -14.620 -0.439 27.231 1.00 97.75 110 A 1 ATOM 867 C C . ALA A 1 110 ? -15.903 -0.889 26.510 1.00 98.03 110 A 1 ATOM 868 O O . ALA A 1 110 ? -16.016 -2.048 26.117 1.00 97.84 110 A 1 ATOM 869 C CB . ALA A 1 110 ? -14.783 -0.495 28.755 1.00 97.66 110 A 1 ATOM 870 N N . GLU A 1 111 ? -16.851 0.016 26.293 1.00 97.52 111 A 1 ATOM 871 C CA . GLU A 1 111 ? -18.065 -0.282 25.524 1.00 97.43 111 A 1 ATOM 872 C C . GLU A 1 111 ? -17.778 -0.493 24.027 1.00 97.94 111 A 1 ATOM 873 O O . GLU A 1 111 ? -18.328 -1.411 23.430 1.00 97.76 111 A 1 ATOM 874 C CB . GLU A 1 111 ? -19.085 0.839 25.723 1.00 97.15 111 A 1 ATOM 875 C CG . GLU A 1 111 ? -19.567 0.940 27.191 1.00 92.95 111 A 1 ATOM 876 C CD . GLU A 1 111 ? -20.604 2.058 27.340 1.00 87.06 111 A 1 ATOM 877 O OE1 . GLU A 1 111 ? -21.668 1.803 27.934 1.00 74.24 111 A 1 ATOM 878 O OE2 . GLU A 1 111 ? -20.441 3.135 26.726 1.00 76.86 111 A 1 ATOM 879 N N . ILE A 1 112 ? -16.870 0.294 23.437 1.00 98.12 112 A 1 ATOM 880 C CA . ILE A 1 112 ? -16.434 0.116 22.043 1.00 98.28 112 A 1 ATOM 881 C C . ILE A 1 112 ? -15.715 -1.223 21.862 1.00 98.46 112 A 1 ATOM 882 O O . ILE A 1 112 ? -15.993 -1.925 20.894 1.00 98.46 112 A 1 ATOM 883 C CB . ILE A 1 112 ? -15.562 1.305 21.592 1.00 98.19 112 A 1 ATOM 884 C CG1 . ILE A 1 112 ? -16.434 2.577 21.486 1.00 96.87 112 A 1 ATOM 885 C CG2 . ILE A 1 112 ? -14.881 1.030 20.234 1.00 97.51 112 A 1 ATOM 886 C CD1 . ILE A 1 112 ? -15.608 3.863 21.427 1.00 92.27 112 A 1 ATOM 887 N N . ILE A 1 113 ? -14.846 -1.620 22.796 1.00 98.43 113 A 1 ATOM 888 C CA . ILE A 1 113 ? -14.193 -2.939 22.772 1.00 98.44 113 A 1 ATOM 889 C C . ILE A 1 113 ? -15.246 -4.055 22.755 1.00 98.50 113 A 1 ATOM 890 O O . ILE A 1 113 ? -15.172 -4.935 21.905 1.00 98.30 113 A 1 ATOM 891 C CB . ILE A 1 113 ? -13.193 -3.074 23.946 1.00 98.40 113 A 1 ATOM 892 C CG1 . ILE A 1 113 ? -11.970 -2.168 23.677 1.00 97.93 113 A 1 ATOM 893 C CG2 . ILE A 1 113 ? -12.743 -4.536 24.137 1.00 97.88 113 A 1 ATOM 894 C CD1 . ILE A 1 113 ? -11.001 -2.039 24.858 1.00 96.50 113 A 1 ATOM 895 N N . LYS A 1 114 ? -16.282 -3.978 23.603 1.00 98.57 114 A 1 ATOM 896 C CA . LYS A 1 114 ? -17.387 -4.956 23.594 1.00 98.49 114 A 1 ATOM 897 C C . LYS A 1 114 ? -18.113 -5.016 22.246 1.00 98.61 114 A 1 ATOM 898 O O . LYS A 1 114 ? -18.436 -6.107 21.788 1.00 98.29 114 A 1 ATOM 899 C CB . LYS A 1 114 ? -18.402 -4.645 24.702 1.00 98.12 114 A 1 ATOM 900 C CG . LYS A 1 114 ? -17.857 -4.920 26.107 1.00 88.58 114 A 1 ATOM 901 C CD . LYS A 1 114 ? -18.885 -4.481 27.154 1.00 86.87 114 A 1 ATOM 902 C CE . LYS A 1 114 ? -18.335 -4.703 28.563 1.00 76.60 114 A 1 ATOM 903 N NZ . LYS A 1 114 ? -19.337 -4.343 29.599 1.00 68.60 114 A 1 ATOM 904 N N . ILE A 1 115 ? -18.358 -3.869 21.605 1.00 98.36 115 A 1 ATOM 905 C CA . ILE A 1 115 ? -18.963 -3.816 20.264 1.00 98.44 115 A 1 ATOM 906 C C . ILE A 1 115 ? -18.076 -4.543 19.250 1.00 98.60 115 A 1 ATOM 907 O O . ILE A 1 115 ? -18.576 -5.373 18.497 1.00 98.45 115 A 1 ATOM 908 C CB . ILE A 1 115 ? -19.243 -2.355 19.837 1.00 98.38 115 A 1 ATOM 909 C CG1 . ILE A 1 115 ? -20.392 -1.767 20.685 1.00 97.74 115 A 1 ATOM 910 C CG2 . ILE A 1 115 ? -19.595 -2.253 18.337 1.00 97.83 115 A 1 ATOM 911 C CD1 . ILE A 1 115 ? -20.528 -0.245 20.571 1.00 95.98 115 A 1 ATOM 912 N N . ILE A 1 116 ? -16.765 -4.266 19.256 1.00 98.47 116 A 1 ATOM 913 C CA . ILE A 1 116 ? -15.807 -4.917 18.354 1.00 98.48 116 A 1 ATOM 914 C C . ILE A 1 116 ? -15.787 -6.430 18.617 1.00 98.51 116 A 1 ATOM 915 O O . ILE A 1 116 ? -15.924 -7.209 17.679 1.00 98.37 116 A 1 ATOM 916 C CB . ILE A 1 116 ? -14.401 -4.285 18.481 1.00 98.57 116 A 1 ATOM 917 C CG1 . ILE A 1 116 ? -14.414 -2.800 18.043 1.00 98.22 116 A 1 ATOM 918 C CG2 . ILE A 1 116 ? -13.381 -5.056 17.622 1.00 98.27 116 A 1 ATOM 919 C CD1 . ILE A 1 116 ? -13.176 -2.017 18.500 1.00 97.53 116 A 1 ATOM 920 N N . ASP A 1 117 ? -15.694 -6.867 19.874 1.00 98.56 117 A 1 ATOM 921 C CA . ASP A 1 117 ? -15.611 -8.292 20.226 1.00 98.42 117 A 1 ATOM 922 C C . ASP A 1 117 ? -16.870 -9.066 19.825 1.00 98.44 117 A 1 ATOM 923 O O . ASP A 1 117 ? -16.774 -10.166 19.272 1.00 97.85 117 A 1 ATOM 924 C CB . ASP A 1 117 ? -15.340 -8.446 21.729 1.00 98.15 117 A 1 ATOM 925 C CG . ASP A 1 117 ? -13.927 -8.011 22.129 1.00 97.42 117 A 1 ATOM 926 O OD1 . ASP A 1 117 ? -13.045 -7.968 21.239 1.00 93.94 117 A 1 ATOM 927 O OD2 . ASP A 1 117 ? -13.743 -7.714 23.332 1.00 94.23 117 A 1 ATOM 928 N N . GLN A 1 118 ? -18.042 -8.476 20.033 1.00 98.33 118 A 1 ATOM 929 C CA . GLN A 1 118 ? -19.337 -9.089 19.722 1.00 98.29 118 A 1 ATOM 930 C C . GLN A 1 118 ? -19.691 -9.055 18.231 1.00 98.38 118 A 1 ATOM 931 O O . GLN A 1 118 ? -20.531 -9.848 17.795 1.00 97.80 118 A 1 ATOM 932 C CB . GLN A 1 118 ? -20.424 -8.404 20.558 1.00 98.17 118 A 1 ATOM 933 C CG . GLN A 1 118 ? -20.284 -8.747 22.052 1.00 96.46 118 A 1 ATOM 934 C CD . GLN A 1 118 ? -21.276 -7.996 22.934 1.00 94.11 118 A 1 ATOM 935 O OE1 . GLN A 1 118 ? -22.026 -7.129 22.523 1.00 89.35 118 A 1 ATOM 936 N NE2 . GLN A 1 118 ? -21.330 -8.314 24.205 1.00 85.79 118 A 1 ATOM 937 N N . PHE A 1 119 ? -19.057 -8.183 17.441 1.00 98.26 119 A 1 ATOM 938 C CA . PHE A 1 119 ? -19.311 -8.070 16.008 1.00 98.15 119 A 1 ATOM 939 C C . PHE A 1 119 ? -18.969 -9.382 15.285 1.00 98.13 119 A 1 ATOM 940 O O . PHE A 1 119 ? -17.875 -9.936 15.464 1.00 97.52 119 A 1 ATOM 941 C CB . PHE A 1 119 ? -18.539 -6.878 15.437 1.00 98.24 119 A 1 ATOM 942 C CG . PHE A 1 119 ? -18.908 -6.561 14.004 1.00 98.58 119 A 1 ATOM 943 C CD1 . PHE A 1 119 ? -18.022 -6.866 12.954 1.00 98.03 119 A 1 ATOM 944 C CD2 . PHE A 1 119 ? -20.149 -5.968 13.717 1.00 98.13 119 A 1 ATOM 945 C CE1 . PHE A 1 119 ? -18.377 -6.574 11.626 1.00 98.00 119 A 1 ATOM 946 C CE2 . PHE A 1 119 ? -20.505 -5.680 12.387 1.00 98.03 119 A 1 ATOM 947 C CZ . PHE A 1 119 ? -19.619 -5.981 11.341 1.00 98.43 119 A 1 ATOM 948 N N . LYS A 1 120 ? -19.909 -9.905 14.498 1.00 97.04 120 A 1 ATOM 949 C CA . LYS A 1 120 ? -19.793 -11.212 13.827 1.00 96.24 120 A 1 ATOM 950 C C . LYS A 1 120 ? -19.251 -11.134 12.400 1.00 96.45 120 A 1 ATOM 951 O O . LYS A 1 120 ? -18.904 -12.172 11.853 1.00 93.04 120 A 1 ATOM 952 C CB . LYS A 1 120 ? -21.146 -11.950 13.863 1.00 95.44 120 A 1 ATOM 953 C CG . LYS A 1 120 ? -21.681 -12.238 15.277 1.00 93.02 120 A 1 ATOM 954 C CD . LYS A 1 120 ? -20.678 -13.014 16.146 1.00 84.20 120 A 1 ATOM 955 C CE . LYS A 1 120 ? -21.275 -13.324 17.516 1.00 81.11 120 A 1 ATOM 956 N NZ . LYS A 1 120 ? -20.261 -13.922 18.410 1.00 69.09 120 A 1 ATOM 957 N N . GLY A 1 121 ? -19.179 -9.934 11.817 1.00 97.84 121 A 1 ATOM 958 C CA . GLY A 1 121 ? -18.585 -9.720 10.499 1.00 97.92 121 A 1 ATOM 959 C C . GLY A 1 121 ? -17.066 -9.521 10.552 1.00 98.24 121 A 1 ATOM 960 O O . GLY A 1 121 ? -16.421 -9.663 11.600 1.00 97.78 121 A 1 ATOM 961 N N . TYR A 1 122 ? -16.487 -9.163 9.412 1.00 98.32 122 A 1 ATOM 962 C CA . TYR A 1 122 ? -15.059 -8.906 9.261 1.00 98.29 122 A 1 ATOM 963 C C . TYR A 1 122 ? -14.615 -7.678 10.070 1.00 98.44 122 A 1 ATOM 964 O O . TYR A 1 122 ? -15.248 -6.620 10.055 1.00 98.18 122 A 1 ATOM 965 C CB . TYR A 1 122 ? -14.729 -8.750 7.779 1.00 97.94 122 A 1 ATOM 966 C CG . TYR A 1 122 ? -13.251 -8.637 7.478 1.00 97.86 122 A 1 ATOM 967 C CD1 . TYR A 1 122 ? -12.655 -7.370 7.333 1.00 96.77 122 A 1 ATOM 968 C CD2 . TYR A 1 122 ? -12.474 -9.801 7.329 1.00 96.99 122 A 1 ATOM 969 C CE1 . TYR A 1 122 ? -11.286 -7.270 7.021 1.00 96.29 122 A 1 ATOM 970 C CE2 . TYR A 1 122 ? -11.106 -9.702 7.015 1.00 96.37 122 A 1 ATOM 971 C CZ . TYR A 1 122 ? -10.509 -8.434 6.853 1.00 96.69 122 A 1 ATOM 972 O OH . TYR A 1 122 ? -9.193 -8.333 6.528 1.00 95.41 122 A 1 ATOM 973 N N . LYS A 1 123 ? -13.502 -7.807 10.775 1.00 98.34 123 A 1 ATOM 974 C CA . LYS A 1 123 ? -12.919 -6.751 11.613 1.00 98.33 123 A 1 ATOM 975 C C . LYS A 1 123 ? -11.644 -6.228 10.959 1.00 98.12 123 A 1 ATOM 976 O O . LYS A 1 123 ? -10.554 -6.739 11.217 1.00 97.40 123 A 1 ATOM 977 C CB . LYS A 1 123 ? -12.663 -7.284 13.036 1.00 98.22 123 A 1 ATOM 978 C CG . LYS A 1 123 ? -13.955 -7.720 13.740 1.00 97.64 123 A 1 ATOM 979 C CD . LYS A 1 123 ? -13.657 -8.427 15.072 1.00 97.02 123 A 1 ATOM 980 C CE . LYS A 1 123 ? -14.963 -9.026 15.588 1.00 94.44 123 A 1 ATOM 981 N NZ . LYS A 1 123 ? -14.804 -9.779 16.851 1.00 92.37 123 A 1 ATOM 982 N N . ASP A 1 124 ? -11.766 -5.200 10.132 1.00 98.36 124 A 1 ATOM 983 C CA . ASP A 1 124 ? -10.608 -4.573 9.490 1.00 98.22 124 A 1 ATOM 984 C C . ASP A 1 124 ? -9.771 -3.790 10.518 1.00 98.20 124 A 1 ATOM 985 O O . ASP A 1 124 ? -10.123 -2.680 10.930 1.00 97.61 124 A 1 ATOM 986 C CB . ASP A 1 124 ? -11.066 -3.698 8.311 1.00 97.72 124 A 1 ATOM 987 C CG . ASP A 1 124 ? -9.897 -3.118 7.503 1.00 97.17 124 A 1 ATOM 988 O OD1 . ASP A 1 124 ? -8.787 -2.905 8.047 1.00 94.90 124 A 1 ATOM 989 O OD2 . ASP A 1 124 ? -10.078 -2.826 6.308 1.00 94.06 124 A 1 ATOM 990 N N . LEU A 1 125 ? -8.639 -4.366 10.916 1.00 97.12 125 A 1 ATOM 991 C CA . LEU A 1 125 ? -7.734 -3.771 11.903 1.00 96.75 125 A 1 ATOM 992 C C . LEU A 1 125 ? -7.178 -2.413 11.447 1.00 96.84 125 A 1 ATOM 993 O O . LEU A 1 125 ? -7.031 -1.501 12.266 1.00 96.35 125 A 1 ATOM 994 C CB . LEU A 1 125 ? -6.600 -4.770 12.195 1.00 96.09 125 A 1 ATOM 995 C CG . LEU A 1 125 ? -5.608 -4.298 13.272 1.00 95.16 125 A 1 ATOM 996 C CD1 . LEU A 1 125 ? -6.274 -4.130 14.641 1.00 93.90 125 A 1 ATOM 997 C CD2 . LEU A 1 125 ? -4.478 -5.313 13.406 1.00 93.92 125 A 1 ATOM 998 N N . ASN A 1 126 ? -6.910 -2.239 10.155 1.00 96.40 126 A 1 ATOM 999 C CA . ASN A 1 126 ? -6.397 -0.977 9.620 1.00 96.05 126 A 1 ATOM 1000 C C . ASN A 1 126 ? -7.461 0.128 9.693 1.00 96.71 126 A 1 ATOM 1001 O O . ASN A 1 126 ? -7.168 1.261 10.086 1.00 96.24 126 A 1 ATOM 1002 C CB . ASN A 1 126 ? -5.912 -1.201 8.177 1.00 94.88 126 A 1 ATOM 1003 C CG . ASN A 1 126 ? -4.642 -2.029 8.111 1.00 92.58 126 A 1 ATOM 1004 O OD1 . ASN A 1 126 ? -3.747 -1.874 8.914 1.00 84.37 126 A 1 ATOM 1005 N ND2 . ASN A 1 126 ? -4.500 -2.912 7.153 1.00 83.25 126 A 1 ATOM 1006 N N . CYS A 1 127 ? -8.722 -0.210 9.385 1.00 97.05 127 A 1 ATOM 1007 C CA . CYS A 1 127 ? -9.842 0.706 9.568 1.00 97.60 127 A 1 ATOM 1008 C C . CYS A 1 127 ? -10.043 1.045 11.051 1.00 97.93 127 A 1 ATOM 1009 O O . CYS A 1 127 ? -10.053 2.229 11.395 1.00 97.76 127 A 1 ATOM 1010 C CB . CYS A 1 127 ? -11.104 0.121 8.933 1.00 97.57 127 A 1 ATOM 1011 S SG . CYS A 1 127 ? -10.972 0.270 7.127 1.00 96.93 127 A 1 ATOM 1012 N N . LEU A 1 128 ? -10.094 0.040 11.935 1.00 97.90 128 A 1 ATOM 1013 C CA . LEU A 1 128 ? -10.219 0.248 13.387 1.00 98.11 128 A 1 ATOM 1014 C C . LEU A 1 128 ? -9.107 1.149 13.941 1.00 98.03 128 A 1 ATOM 1015 O O . LEU A 1 128 ? -9.379 2.091 14.687 1.00 97.85 128 A 1 ATOM 1016 C CB . LEU A 1 128 ? -10.196 -1.116 14.099 1.00 98.31 128 A 1 ATOM 1017 C CG . LEU A 1 128 ? -11.491 -1.936 13.941 1.00 98.01 128 A 1 ATOM 1018 C CD1 . LEU A 1 128 ? -11.271 -3.352 14.465 1.00 97.43 128 A 1 ATOM 1019 C CD2 . LEU A 1 128 ? -12.640 -1.309 14.735 1.00 97.36 128 A 1 ATOM 1020 N N . THR A 1 129 ? -7.866 0.907 13.518 1.00 97.03 129 A 1 ATOM 1021 C CA . THR A 1 129 ? -6.704 1.733 13.871 1.00 96.49 129 A 1 ATOM 1022 C C . THR A 1 129 ? -6.909 3.182 13.428 1.00 96.61 129 A 1 ATOM 1023 O O . THR A 1 129 ? -6.768 4.101 14.231 1.00 96.06 129 A 1 ATOM 1024 C CB . THR A 1 129 ? -5.428 1.144 13.246 1.00 95.36 129 A 1 ATOM 1025 O OG1 . THR A 1 129 ? -5.212 -0.147 13.759 1.00 91.53 129 A 1 ATOM 1026 C CG2 . THR A 1 129 ? -4.180 1.962 13.559 1.00 91.05 129 A 1 ATOM 1027 N N . SER A 1 130 ? -7.348 3.396 12.183 1.00 96.44 130 A 1 ATOM 1028 C CA . SER A 1 130 ? -7.614 4.746 11.660 1.00 96.04 130 A 1 ATOM 1029 C C . SER A 1 130 ? -8.762 5.479 12.378 1.00 96.51 130 A 1 ATOM 1030 O O . SER A 1 130 ? -8.797 6.709 12.402 1.00 95.67 130 A 1 ATOM 1031 C CB . SER A 1 130 ? -7.883 4.678 10.150 1.00 94.95 130 A 1 ATOM 1032 O OG . SER A 1 130 ? -9.203 4.264 9.847 1.00 85.33 130 A 1 ATOM 1033 N N . TRP A 1 131 ? -9.713 4.719 12.953 1.00 96.78 131 A 1 ATOM 1034 C CA . TRP A 1 131 ? -10.872 5.289 13.646 1.00 97.19 131 A 1 ATOM 1035 C C . TRP A 1 131 ? -10.621 5.588 15.118 1.00 97.35 131 A 1 ATOM 1036 O O . TRP A 1 131 ? -11.256 6.492 15.662 1.00 96.81 131 A 1 ATOM 1037 C CB . TRP A 1 131 ? -12.057 4.321 13.551 1.00 97.32 131 A 1 ATOM 1038 C CG . TRP A 1 131 ? -12.510 3.924 12.191 1.00 97.59 131 A 1 ATOM 1039 C CD1 . TRP A 1 131 ? -12.286 4.589 11.033 1.00 96.77 131 A 1 ATOM 1040 C CD2 . TRP A 1 131 ? -13.261 2.731 11.830 1.00 97.58 131 A 1 ATOM 1041 N NE1 . TRP A 1 131 ? -12.834 3.887 9.983 1.00 96.88 131 A 1 ATOM 1042 C CE2 . TRP A 1 131 ? -13.450 2.733 10.418 1.00 97.28 131 A 1 ATOM 1043 C CE3 . TRP A 1 131 ? -13.800 1.644 12.561 1.00 97.17 131 A 1 ATOM 1044 C CZ2 . TRP A 1 131 ? -14.139 1.703 9.763 1.00 96.87 131 A 1 ATOM 1045 C CZ3 . TRP A 1 131 ? -14.492 0.611 11.911 1.00 96.54 131 A 1 ATOM 1046 C CH2 . TRP A 1 131 ? -14.660 0.638 10.515 1.00 96.30 131 A 1 ATOM 1047 N N . LEU A 1 132 ? -9.764 4.801 15.759 1.00 97.24 132 A 1 ATOM 1048 C CA . LEU A 1 132 ? -9.659 4.752 17.217 1.00 97.47 132 A 1 ATOM 1049 C C . LEU A 1 132 ? -8.292 5.179 17.749 1.00 97.45 132 A 1 ATOM 1050 O O . LEU A 1 132 ? -8.191 5.446 18.938 1.00 96.90 132 A 1 ATOM 1051 C CB . LEU A 1 132 ? -10.018 3.335 17.699 1.00 97.60 132 A 1 ATOM 1052 C CG . LEU A 1 132 ? -11.451 2.880 17.353 1.00 97.45 132 A 1 ATOM 1053 C CD1 . LEU A 1 132 ? -11.651 1.427 17.788 1.00 96.84 132 A 1 ATOM 1054 C CD2 . LEU A 1 132 ? -12.517 3.744 18.036 1.00 96.75 132 A 1 ATOM 1055 N N . LEU A 1 133 ? -7.255 5.260 16.911 1.00 96.38 133 A 1 ATOM 1056 C CA . LEU A 1 133 ? -5.931 5.710 17.345 1.00 95.41 133 A 1 ATOM 1057 C C . LEU A 1 133 ? -5.590 7.108 16.833 1.00 93.34 133 A 1 ATOM 1058 O O . LEU A 1 133 ? -6.143 7.608 15.855 1.00 90.35 133 A 1 ATOM 1059 C CB . LEU A 1 133 ? -4.845 4.683 16.984 1.00 95.51 133 A 1 ATOM 1060 C CG . LEU A 1 133 ? -5.071 3.268 17.537 1.00 95.17 133 A 1 ATOM 1061 C CD1 . LEU A 1 133 ? -3.805 2.440 17.307 1.00 93.74 133 A 1 ATOM 1062 C CD2 . LEU A 1 133 ? -5.362 3.237 19.037 1.00 93.69 133 A 1 ATOM 1063 N N . PHE A 1 134 ? -4.642 7.751 17.515 1.00 93.00 134 A 1 ATOM 1064 C CA . PHE A 1 134 ? -4.083 9.015 17.054 1.00 89.21 134 A 1 ATOM 1065 C C . PHE A 1 134 ? -3.261 8.810 15.772 1.00 87.70 134 A 1 ATOM 1066 O O . PHE A 1 134 ? -2.673 7.751 15.549 1.00 81.36 134 A 1 ATOM 1067 C CB . PHE A 1 134 ? -3.260 9.661 18.176 1.00 84.57 134 A 1 ATOM 1068 C CG . PHE A 1 134 ? -2.922 11.112 17.901 1.00 80.62 134 A 1 ATOM 1069 C CD1 . PHE A 1 134 ? -1.646 11.470 17.424 1.00 74.52 134 A 1 ATOM 1070 C CD2 . PHE A 1 134 ? -3.903 12.106 18.086 1.00 73.16 134 A 1 ATOM 1071 C CE1 . PHE A 1 134 ? -1.355 12.820 17.138 1.00 68.06 134 A 1 ATOM 1072 C CE2 . PHE A 1 134 ? -3.610 13.453 17.797 1.00 68.24 134 A 1 ATOM 1073 C CZ . PHE A 1 134 ? -2.336 13.811 17.326 1.00 66.36 134 A 1 ATOM 1074 N N . SER A 1 135 ? -3.214 9.834 14.931 1.00 86.30 135 A 1 ATOM 1075 C CA . SER A 1 135 ? -2.534 9.782 13.633 1.00 82.55 135 A 1 ATOM 1076 C C . SER A 1 135 ? -1.094 9.261 13.747 1.00 81.48 135 A 1 ATOM 1077 O O . SER A 1 135 ? -0.340 9.687 14.621 1.00 73.79 135 A 1 ATOM 1078 C CB . SER A 1 135 ? -2.536 11.168 12.985 1.00 77.08 135 A 1 ATOM 1079 O OG . SER A 1 135 ? -2.010 11.105 11.677 1.00 67.41 135 A 1 ATOM 1080 N N . GLY A 1 136 ? -0.724 8.360 12.839 1.00 81.58 136 A 1 ATOM 1081 C CA . GLY A 1 136 ? 0.614 7.758 12.771 1.00 80.52 136 A 1 ATOM 1082 C C . GLY A 1 136 ? 0.844 6.555 13.693 1.00 83.49 136 A 1 ATOM 1083 O O . GLY A 1 136 ? 1.894 5.929 13.596 1.00 80.13 136 A 1 ATOM 1084 N N . GLN A 1 137 ? -0.108 6.200 14.559 1.00 86.39 137 A 1 ATOM 1085 C CA . GLN A 1 137 ? -0.026 4.952 15.324 1.00 87.46 137 A 1 ATOM 1086 C C . GLN A 1 137 ? -0.449 3.754 14.466 1.00 87.46 137 A 1 ATOM 1087 O O . GLN A 1 137 ? -1.392 3.844 13.683 1.00 85.56 137 A 1 ATOM 1088 C CB . GLN A 1 137 ? -0.858 5.022 16.614 1.00 87.88 137 A 1 ATOM 1089 C CG . GLN A 1 137 ? -0.319 6.081 17.593 1.00 85.66 137 A 1 ATOM 1090 C CD . GLN A 1 137 ? -0.987 6.038 18.965 1.00 84.02 137 A 1 ATOM 1091 O OE1 . GLN A 1 137 ? -1.946 5.335 19.238 1.00 77.04 137 A 1 ATOM 1092 N NE2 . GLN A 1 137 ? -0.479 6.784 19.924 1.00 74.94 137 A 1 ATOM 1093 N N . GLN A 1 138 ? 0.247 2.629 14.651 1.00 89.54 138 A 1 ATOM 1094 C CA . GLN A 1 138 ? -0.045 1.341 14.031 1.00 88.57 138 A 1 ATOM 1095 C C . GLN A 1 138 ? -0.069 0.261 15.115 1.00 90.22 138 A 1 ATOM 1096 O O . GLN A 1 138 ? 0.565 0.416 16.162 1.00 88.84 138 A 1 ATOM 1097 C CB . GLN A 1 138 ? 0.992 1.006 12.955 1.00 85.18 138 A 1 ATOM 1098 C CG . GLN A 1 138 ? 0.970 1.993 11.771 1.00 78.95 138 A 1 ATOM 1099 C CD . GLN A 1 138 ? 2.021 1.657 10.715 1.00 73.81 138 A 1 ATOM 1100 O OE1 . GLN A 1 138 ? 2.784 0.721 10.816 1.00 66.82 138 A 1 ATOM 1101 N NE2 . GLN A 1 138 ? 2.138 2.421 9.657 1.00 62.60 138 A 1 ATOM 1102 N N . VAL A 1 139 ? -0.820 -0.806 14.858 1.00 89.76 139 A 1 ATOM 1103 C CA . VAL A 1 139 ? -0.908 -2.000 15.706 1.00 90.74 139 A 1 ATOM 1104 C C . VAL A 1 139 ? -0.997 -3.228 14.808 1.00 90.00 139 A 1 ATOM 1105 O O . VAL A 1 139 ? -1.533 -3.140 13.702 1.00 89.31 139 A 1 ATOM 1106 C CB . VAL A 1 139 ? -2.110 -1.945 16.667 1.00 92.45 139 A 1 ATOM 1107 C CG1 . VAL A 1 139 ? -1.946 -0.825 17.703 1.00 91.72 139 A 1 ATOM 1108 C CG2 . VAL A 1 139 ? -3.458 -1.759 15.955 1.00 91.09 139 A 1 ATOM 1109 N N . SER A 1 140 ? -0.492 -4.349 15.285 1.00 90.56 140 A 1 ATOM 1110 C CA . SER A 1 140 ? -0.478 -5.621 14.550 1.00 89.89 140 A 1 ATOM 1111 C C . SER A 1 140 ? -1.651 -6.545 14.904 1.00 91.39 140 A 1 ATOM 1112 O O . SER A 1 140 ? -1.901 -7.526 14.213 1.00 90.55 140 A 1 ATOM 1113 C CB . SER A 1 140 ? 0.858 -6.320 14.807 1.00 87.29 140 A 1 ATOM 1114 O OG . SER A 1 140 ? 0.946 -6.745 16.153 1.00 82.29 140 A 1 ATOM 1115 N N . SER A 1 141 ? -2.387 -6.242 15.977 1.00 91.48 141 A 1 ATOM 1116 C CA . SER A 1 141 ? -3.491 -7.075 16.469 1.00 92.69 141 A 1 ATOM 1117 C C . SER A 1 141 ? -4.554 -6.257 17.216 1.00 94.55 141 A 1 ATOM 1118 O O . SER A 1 141 ? -4.314 -5.124 17.649 1.00 95.37 141 A 1 ATOM 1119 C CB . SER A 1 141 ? -2.936 -8.171 17.387 1.00 92.49 141 A 1 ATOM 1120 O OG . SER A 1 141 ? -2.353 -7.597 18.542 1.00 92.72 141 A 1 ATOM 1121 N N . LEU A 1 142 ? -5.743 -6.851 17.410 1.00 94.80 142 A 1 ATOM 1122 C CA . LEU A 1 142 ? -6.793 -6.267 18.255 1.00 96.49 142 A 1 ATOM 1123 C C . LEU A 1 142 ? -6.328 -6.112 19.712 1.00 97.23 142 A 1 ATOM 1124 O O . LEU A 1 142 ? -6.600 -5.084 20.328 1.00 97.39 142 A 1 ATOM 1125 C CB . LEU A 1 142 ? -8.069 -7.126 18.184 1.00 97.07 142 A 1 ATOM 1126 C CG . LEU A 1 142 ? -8.812 -7.089 16.833 1.00 96.33 142 A 1 ATOM 1127 C CD1 . LEU A 1 142 ? -10.001 -8.050 16.883 1.00 95.17 142 A 1 ATOM 1128 C CD2 . LEU A 1 142 ? -9.355 -5.693 16.504 1.00 95.15 142 A 1 ATOM 1129 N N . ASP A 1 143 ? -5.560 -7.060 20.234 1.00 96.02 143 A 1 ATOM 1130 C CA . ASP A 1 143 ? -5.014 -6.975 21.596 1.00 95.72 143 A 1 ATOM 1131 C C . ASP A 1 143 ? -4.084 -5.768 21.776 1.00 95.91 143 A 1 ATOM 1132 O O . ASP A 1 143 ? -4.125 -5.074 22.798 1.00 95.39 143 A 1 ATOM 1133 C CB . ASP A 1 143 ? -4.226 -8.251 21.927 1.00 95.47 143 A 1 ATOM 1134 C CG . ASP A 1 143 ? -5.101 -9.488 22.122 1.00 92.00 143 A 1 ATOM 1135 O OD1 . ASP A 1 143 ? -6.307 -9.311 22.399 1.00 86.12 143 A 1 ATOM 1136 O OD2 . ASP A 1 143 ? -4.521 -10.590 22.040 1.00 87.12 143 A 1 ATOM 1137 N N . GLU A 1 144 ? -3.241 -5.490 20.781 1.00 95.15 144 A 1 ATOM 1138 C CA . GLU A 1 144 ? -2.418 -4.279 20.785 1.00 94.31 144 A 1 ATOM 1139 C C . GLU A 1 144 ? -3.271 -3.016 20.670 1.00 95.61 144 A 1 ATOM 1140 O O . GLU A 1 144 ? -3.018 -2.052 21.399 1.00 95.30 144 A 1 ATOM 1141 C CB . GLU A 1 144 ? -1.412 -4.304 19.639 1.00 92.24 144 A 1 ATOM 1142 C CG . GLU A 1 144 ? -0.206 -5.200 19.943 1.00 85.27 144 A 1 ATOM 1143 C CD . GLU A 1 144 ? 0.802 -5.192 18.786 1.00 83.31 144 A 1 ATOM 1144 O OE1 . GLU A 1 144 ? 1.666 -6.083 18.782 1.00 75.23 144 A 1 ATOM 1145 O OE2 . GLU A 1 144 ? 0.711 -4.305 17.903 1.00 76.37 144 A 1 ATOM 1146 N N . LEU A 1 145 ? -4.298 -3.028 19.815 1.00 94.99 145 A 1 ATOM 1147 C CA . LEU A 1 145 ? -5.252 -1.925 19.688 1.00 96.36 145 A 1 ATOM 1148 C C . LEU A 1 145 ? -5.887 -1.609 21.049 1.00 97.14 145 A 1 ATOM 1149 O O . LEU A 1 145 ? -5.886 -0.453 21.482 1.00 97.41 145 A 1 ATOM 1150 C CB . LEU A 1 145 ? -6.309 -2.292 18.624 1.00 97.00 145 A 1 ATOM 1151 C CG . LEU A 1 145 ? -7.414 -1.239 18.435 1.00 96.59 145 A 1 ATOM 1152 C CD1 . LEU A 1 145 ? -6.870 0.068 17.876 1.00 95.98 145 A 1 ATOM 1153 C CD2 . LEU A 1 145 ? -8.477 -1.757 17.467 1.00 95.92 145 A 1 ATOM 1154 N N . TYR A 1 146 ? -6.350 -2.632 21.772 1.00 97.50 146 A 1 ATOM 1155 C CA . TYR A 1 146 ? -7.033 -2.474 23.059 1.00 97.93 146 A 1 ATOM 1156 C C . TYR A 1 146 ? -6.125 -1.931 24.170 1.00 97.98 146 A 1 ATOM 1157 O O . TYR A 1 146 ? -6.610 -1.273 25.096 1.00 97.53 146 A 1 ATOM 1158 C CB . TYR A 1 146 ? -7.677 -3.806 23.459 1.00 98.05 146 A 1 ATOM 1159 C CG . TYR A 1 146 ? -8.747 -4.359 22.523 1.00 98.29 146 A 1 ATOM 1160 C CD1 . TYR A 1 146 ? -9.306 -3.590 21.481 1.00 97.25 146 A 1 ATOM 1161 C CD2 . TYR A 1 146 ? -9.199 -5.677 22.721 1.00 97.52 146 A 1 ATOM 1162 C CE1 . TYR A 1 146 ? -10.296 -4.129 20.639 1.00 97.33 146 A 1 ATOM 1163 C CE2 . TYR A 1 146 ? -10.192 -6.223 21.886 1.00 97.46 146 A 1 ATOM 1164 C CZ . TYR A 1 146 ? -10.743 -5.449 20.844 1.00 98.00 146 A 1 ATOM 1165 O OH . TYR A 1 146 ? -11.706 -5.969 20.045 1.00 97.41 146 A 1 ATOM 1166 N N . LYS A 1 147 ? -4.807 -2.134 24.061 1.00 97.06 147 A 1 ATOM 1167 C CA . LYS A 1 147 ? -3.827 -1.539 24.988 1.00 96.64 147 A 1 ATOM 1168 C C . LYS A 1 147 ? -3.631 -0.032 24.768 1.00 96.62 147 A 1 ATOM 1169 O O . LYS A 1 147 ? -3.221 0.663 25.696 1.00 95.52 147 A 1 ATOM 1170 C CB . LYS A 1 147 ? -2.494 -2.299 24.873 1.00 96.36 147 A 1 ATOM 1171 C CG . LYS A 1 147 ? -2.587 -3.720 25.457 1.00 94.47 147 A 1 ATOM 1172 C CD . LYS A 1 147 ? -1.371 -4.568 25.061 1.00 90.12 147 A 1 ATOM 1173 C CE . LYS A 1 147 ? -1.598 -6.026 25.483 1.00 86.15 147 A 1 ATOM 1174 N NZ . LYS A 1 147 ? -0.548 -6.940 24.963 1.00 76.41 147 A 1 ATOM 1175 N N . LYS A 1 148 ? -3.932 0.498 23.575 1.00 96.64 148 A 1 ATOM 1176 C CA . LYS A 1 148 ? -3.768 1.927 23.262 1.00 96.55 148 A 1 ATOM 1177 C C . LYS A 1 148 ? -4.918 2.770 23.816 1.00 97.35 148 A 1 ATOM 1178 O O . LYS A 1 148 ? -6.007 2.279 24.087 1.00 96.84 148 A 1 ATOM 1179 C CB . LYS A 1 148 ? -3.608 2.136 21.742 1.00 95.77 148 A 1 ATOM 1180 C CG . LYS A 1 148 ? -2.427 1.388 21.108 1.00 94.14 148 A 1 ATOM 1181 C CD . LYS A 1 148 ? -1.048 1.781 21.671 1.00 90.57 148 A 1 ATOM 1182 C CE . LYS A 1 148 ? 0.025 0.991 20.910 1.00 86.79 148 A 1 ATOM 1183 N NZ . LYS A 1 148 ? 1.404 1.318 21.345 1.00 79.20 148 A 1 ATOM 1184 N N . ASP A 1 149 ? -4.681 4.063 23.957 1.00 97.17 149 A 1 ATOM 1185 C CA . ASP A 1 149 ? -5.750 5.028 24.207 1.00 96.94 149 A 1 ATOM 1186 C C . ASP A 1 149 ? -6.579 5.254 22.944 1.00 97.34 149 A 1 ATOM 1187 O O . ASP A 1 149 ? -6.021 5.456 21.865 1.00 96.41 149 A 1 ATOM 1188 C CB . ASP A 1 149 ? -5.164 6.356 24.687 1.00 96.02 149 A 1 ATOM 1189 C CG . ASP A 1 149 ? -4.672 6.274 26.122 1.00 94.15 149 A 1 ATOM 1190 O OD1 . ASP A 1 149 ? -5.326 5.594 26.950 1.00 90.28 149 A 1 ATOM 1191 O OD2 . ASP A 1 149 ? -3.767 7.047 26.475 1.00 89.35 149 A 1 ATOM 1192 N N . PHE A 1 150 ? -7.904 5.247 23.098 1.00 96.86 150 A 1 ATOM 1193 C CA . PHE A 1 150 ? -8.804 5.492 21.979 1.00 97.42 150 A 1 ATOM 1194 C C . PHE A 1 150 ? -9.094 6.982 21.813 1.00 97.32 150 A 1 ATOM 1195 O O . PHE A 1 150 ? -9.227 7.735 22.776 1.00 96.76 150 A 1 ATOM 1196 C CB . PHE A 1 150 ? -10.090 4.672 22.123 1.00 97.53 150 A 1 ATOM 1197 C CG . PHE A 1 150 ? -9.998 3.182 21.836 1.00 97.99 150 A 1 ATOM 1198 C CD1 . PHE A 1 150 ? -8.771 2.515 21.646 1.00 97.51 150 A 1 ATOM 1199 C CD2 . PHE A 1 150 ? -11.195 2.445 21.752 1.00 97.47 150 A 1 ATOM 1200 C CE1 . PHE A 1 150 ? -8.742 1.133 21.394 1.00 97.49 150 A 1 ATOM 1201 C CE2 . PHE A 1 150 ? -11.165 1.063 21.501 1.00 97.36 150 A 1 ATOM 1202 C CZ . PHE A 1 150 ? -9.940 0.405 21.330 1.00 97.94 150 A 1 ATOM 1203 N N . TRP A 1 151 ? -9.229 7.376 20.552 1.00 97.40 151 A 1 ATOM 1204 C CA . TRP A 1 151 ? -9.527 8.727 20.103 1.00 97.21 151 A 1 ATOM 1205 C C . TRP A 1 151 ? -10.738 8.715 19.173 1.00 97.50 151 A 1 ATOM 1206 O O . TRP A 1 151 ? -10.944 7.757 18.425 1.00 96.79 151 A 1 ATOM 1207 C CB . TRP A 1 151 ? -8.295 9.312 19.405 1.00 96.46 151 A 1 ATOM 1208 C CG . TRP A 1 151 ? -7.113 9.542 20.293 1.00 95.40 151 A 1 ATOM 1209 C CD1 . TRP A 1 151 ? -6.291 8.585 20.789 1.00 91.97 151 A 1 ATOM 1210 C CD2 . TRP A 1 151 ? -6.631 10.804 20.836 1.00 94.48 151 A 1 ATOM 1211 N NE1 . TRP A 1 151 ? -5.343 9.166 21.609 1.00 91.07 151 A 1 ATOM 1212 C CE2 . TRP A 1 151 ? -5.505 10.534 21.671 1.00 93.10 151 A 1 ATOM 1213 C CE3 . TRP A 1 151 ? -7.032 12.150 20.711 1.00 90.82 151 A 1 ATOM 1214 C CZ2 . TRP A 1 151 ? -4.818 11.550 22.351 1.00 90.57 151 A 1 ATOM 1215 C CZ3 . TRP A 1 151 ? -6.347 13.177 21.389 1.00 88.03 151 A 1 ATOM 1216 C CH2 . TRP A 1 151 ? -5.242 12.879 22.208 1.00 87.63 151 A 1 ATOM 1217 N N . HIS A 1 152 ? -11.526 9.774 19.184 1.00 96.28 152 A 1 ATOM 1218 C CA . HIS A 1 152 ? -12.650 9.909 18.261 1.00 96.14 152 A 1 ATOM 1219 C C . HIS A 1 152 ? -12.170 10.334 16.866 1.00 95.56 152 A 1 ATOM 1220 O O . HIS A 1 152 ? -12.318 11.484 16.450 1.00 94.08 152 A 1 ATOM 1221 C CB . HIS A 1 152 ? -13.705 10.858 18.855 1.00 95.60 152 A 1 ATOM 1222 C CG . HIS A 1 152 ? -14.953 10.997 18.008 1.00 95.66 152 A 1 ATOM 1223 N ND1 . HIS A 1 152 ? -15.975 11.901 18.234 1.00 88.26 152 A 1 ATOM 1224 C CD2 . HIS A 1 152 ? -15.300 10.291 16.886 1.00 88.65 152 A 1 ATOM 1225 C CE1 . HIS A 1 152 ? -16.903 11.726 17.279 1.00 90.12 152 A 1 ATOM 1226 N NE2 . HIS A 1 152 ? -16.529 10.764 16.433 1.00 90.65 152 A 1 ATOM 1227 N N . CYS A 1 153 ? -11.590 9.404 16.116 1.00 96.11 153 A 1 ATOM 1228 C CA . CYS A 1 153 ? -11.183 9.590 14.723 1.00 95.27 153 A 1 ATOM 1229 C C . CYS A 1 153 ? -12.119 8.877 13.729 1.00 95.56 153 A 1 ATOM 1230 O O . CYS A 1 153 ? -11.875 8.939 12.527 1.00 93.81 153 A 1 ATOM 1231 C CB . CYS A 1 153 ? -9.704 9.214 14.556 1.00 94.25 153 A 1 ATOM 1232 S SG . CYS A 1 153 ? -8.676 10.297 15.596 1.00 90.96 153 A 1 ATOM 1233 N N . VAL A 1 154 ? -13.215 8.262 14.203 1.00 96.18 154 A 1 ATOM 1234 C CA . VAL A 1 154 ? -14.179 7.507 13.377 1.00 95.87 154 A 1 ATOM 1235 C C . VAL A 1 154 ? -14.670 8.349 12.199 1.00 95.03 154 A 1 ATOM 1236 O O . VAL A 1 154 ? -15.063 9.501 12.365 1.00 93.49 154 A 1 ATOM 1237 C CB . VAL A 1 154 ? -15.378 7.004 14.205 1.00 95.85 154 A 1 ATOM 1238 C CG1 . VAL A 1 154 ? -16.291 6.095 13.372 1.00 93.43 154 A 1 ATOM 1239 C CG2 . VAL A 1 154 ? -14.930 6.205 15.431 1.00 93.41 154 A 1 ATOM 1240 N N . ARG A 1 155 ? -14.637 7.772 11.007 1.00 94.93 155 A 1 ATOM 1241 C CA . ARG A 1 155 ? -15.092 8.418 9.770 1.00 93.83 155 A 1 ATOM 1242 C C . ARG A 1 155 ? -16.589 8.757 9.857 1.00 94.62 155 A 1 ATOM 1243 O O . ARG A 1 155 ? -17.371 7.972 10.391 1.00 93.13 155 A 1 ATOM 1244 C CB . ARG A 1 155 ? -14.761 7.481 8.596 1.00 91.35 155 A 1 ATOM 1245 C CG . ARG A 1 155 ? -15.031 8.102 7.227 1.00 86.37 155 A 1 ATOM 1246 C CD . ARG A 1 155 ? -14.728 7.103 6.114 1.00 86.01 155 A 1 ATOM 1247 N NE . ARG A 1 155 ? -15.117 7.642 4.794 1.00 83.47 155 A 1 ATOM 1248 C CZ . ARG A 1 155 ? -14.335 7.913 3.767 1.00 82.43 155 A 1 ATOM 1249 N NH1 . ARG A 1 155 ? -13.043 7.758 3.809 1.00 73.44 155 A 1 ATOM 1250 N NH2 . ARG A 1 155 ? -14.854 8.342 2.649 1.00 74.68 155 A 1 ATOM 1251 N N . LEU A 1 156 ? -16.990 9.916 9.322 1.00 94.61 156 A 1 ATOM 1252 C CA . LEU A 1 156 ? -18.389 10.374 9.352 1.00 93.73 156 A 1 ATOM 1253 C C . LEU A 1 156 ? -19.271 9.625 8.341 1.00 94.40 156 A 1 ATOM 1254 O O . LEU A 1 156 ? -20.395 9.268 8.665 1.00 92.81 156 A 1 ATOM 1255 C CB . LEU A 1 156 ? -18.455 11.891 9.096 1.00 92.09 156 A 1 ATOM 1256 C CG . LEU A 1 156 ? -17.730 12.771 10.136 1.00 87.70 156 A 1 ATOM 1257 C CD1 . LEU A 1 156 ? -17.845 14.240 9.738 1.00 82.81 156 A 1 ATOM 1258 C CD2 . LEU A 1 156 ? -18.299 12.609 11.546 1.00 82.20 156 A 1 ATOM 1259 N N . SER A 1 157 ? -18.747 9.367 7.149 1.00 95.28 157 A 1 ATOM 1260 C CA . SER A 1 157 ? -19.439 8.644 6.081 1.00 94.93 157 A 1 ATOM 1261 C C . SER A 1 157 ? -18.915 7.217 5.930 1.00 95.68 157 A 1 ATOM 1262 O O . SER A 1 157 ? -17.772 6.924 6.297 1.00 95.03 157 A 1 ATOM 1263 C CB . SER A 1 157 ? -19.289 9.396 4.754 1.00 93.72 157 A 1 ATOM 1264 O OG . SER A 1 157 ? -17.934 9.474 4.354 1.00 91.09 157 A 1 ATOM 1265 N N . ASP A 1 158 ? -19.717 6.369 5.313 1.00 96.55 158 A 1 ATOM 1266 C CA . ASP A 1 158 ? -19.284 5.044 4.880 1.00 96.34 158 A 1 ATOM 1267 C C . ASP A 1 158 ? -18.160 5.109 3.837 1.00 96.28 158 A 1 ATOM 1268 O O . ASP A 1 158 ? -17.939 6.127 3.162 1.00 95.26 158 A 1 ATOM 1269 C CB . ASP A 1 158 ? -20.501 4.243 4.383 1.00 95.62 158 A 1 ATOM 1270 C CG . ASP A 1 158 ? -21.463 3.887 5.529 1.00 94.25 158 A 1 ATOM 1271 O OD1 . ASP A 1 158 ? -21.013 3.873 6.702 1.00 91.77 158 A 1 ATOM 1272 O OD2 . ASP A 1 158 ? -22.653 3.685 5.246 1.00 90.86 158 A 1 ATOM 1273 N N . TYR A 1 159 ? -17.402 4.014 3.740 1.00 96.66 159 A 1 ATOM 1274 C CA . TYR A 1 159 ? -16.496 3.781 2.625 1.00 96.86 159 A 1 ATOM 1275 C C . TYR A 1 159 ? -17.320 3.494 1.368 1.00 97.08 159 A 1 ATOM 1276 O O . TYR A 1 159 ? -18.327 2.787 1.465 1.00 96.55 159 A 1 ATOM 1277 C CB . TYR A 1 159 ? -15.536 2.627 2.935 1.00 96.76 159 A 1 ATOM 1278 C CG . TYR A 1 159 ? -14.583 2.936 4.075 1.00 97.03 159 A 1 ATOM 1279 C CD1 . TYR A 1 159 ? -13.506 3.817 3.864 1.00 96.16 159 A 1 ATOM 1280 C CD2 . TYR A 1 159 ? -14.787 2.368 5.348 1.00 96.22 159 A 1 ATOM 1281 C CE1 . TYR A 1 159 ? -12.638 4.140 4.926 1.00 95.72 159 A 1 ATOM 1282 C CE2 . TYR A 1 159 ? -13.919 2.689 6.411 1.00 95.82 159 A 1 ATOM 1283 C CZ . TYR A 1 159 ? -12.846 3.580 6.200 1.00 96.15 159 A 1 ATOM 1284 O OH . TYR A 1 159 ? -12.016 3.909 7.226 1.00 95.17 159 A 1 ATOM 1285 N N . PRO A 1 160 ? -16.927 4.031 0.210 1.00 95.51 160 A 1 ATOM 1286 C CA . PRO A 1 160 ? -17.595 3.726 -1.049 1.00 94.42 160 A 1 ATOM 1287 C C . PRO A 1 160 ? -17.398 2.251 -1.423 1.00 95.47 160 A 1 ATOM 1288 O O . PRO A 1 160 ? -16.450 1.608 -0.963 1.00 95.14 160 A 1 ATOM 1289 C CB . PRO A 1 160 ? -16.960 4.670 -2.073 1.00 92.45 160 A 1 ATOM 1290 C CG . PRO A 1 160 ? -15.538 4.845 -1.551 1.00 90.42 160 A 1 ATOM 1291 C CD . PRO A 1 160 ? -15.724 4.823 -0.035 1.00 93.42 160 A 1 ATOM 1292 N N . SER A 1 161 ? -18.267 1.732 -2.291 1.00 95.70 161 A 1 ATOM 1293 C CA . SER A 1 161 ? -18.049 0.432 -2.930 1.00 95.29 161 A 1 ATOM 1294 C C . SER A 1 161 ? -16.708 0.413 -3.674 1.00 95.60 161 A 1 ATOM 1295 O O . SER A 1 161 ? -16.297 1.423 -4.248 1.00 94.48 161 A 1 ATOM 1296 C CB . SER A 1 161 ? -19.195 0.108 -3.905 1.00 93.41 161 A 1 ATOM 1297 O OG . SER A 1 161 ? -18.955 -1.157 -4.483 1.00 87.10 161 A 1 ATOM 1298 N N . ALA A 1 162 ? -16.039 -0.742 -3.665 1.00 95.34 162 A 1 ATOM 1299 C CA . ALA A 1 162 ? -14.837 -1.004 -4.455 1.00 95.57 162 A 1 ATOM 1300 C C . ALA A 1 162 ? -15.145 -1.725 -5.778 1.00 95.79 162 A 1 ATOM 1301 O O . ALA A 1 162 ? -14.242 -2.272 -6.405 1.00 94.29 162 A 1 ATOM 1302 C CB . ALA A 1 162 ? -13.832 -1.770 -3.589 1.00 94.77 162 A 1 ATOM 1303 N N . GLU A 1 163 ? -16.406 -1.753 -6.193 1.00 95.79 163 A 1 ATOM 1304 C CA . GLU A 1 163 ? -16.825 -2.360 -7.458 1.00 95.23 163 A 1 ATOM 1305 C C . GLU A 1 163 ? -16.062 -1.740 -8.635 1.00 95.62 163 A 1 ATOM 1306 O O . GLU A 1 163 ? -15.975 -0.515 -8.767 1.00 94.62 163 A 1 ATOM 1307 C CB . GLU A 1 163 ? -18.343 -2.197 -7.603 1.00 93.69 163 A 1 ATOM 1308 C CG . GLU A 1 163 ? -18.918 -2.957 -8.808 1.00 81.59 163 A 1 ATOM 1309 C CD . GLU A 1 163 ? -20.453 -2.841 -8.894 1.00 75.24 163 A 1 ATOM 1310 O OE1 . GLU A 1 163 ? -21.026 -3.490 -9.796 1.00 68.13 163 A 1 ATOM 1311 O OE2 . GLU A 1 163 ? -21.045 -2.102 -8.068 1.00 68.68 163 A 1 ATOM 1312 N N . GLY A 1 164 ? -15.478 -2.588 -9.466 1.00 95.04 164 A 1 ATOM 1313 C CA . GLY A 1 164 ? -14.631 -2.190 -10.595 1.00 95.00 164 A 1 ATOM 1314 C C . GLY A 1 164 ? -13.173 -1.883 -10.244 1.00 96.01 164 A 1 ATOM 1315 O O . GLY A 1 164 ? -12.364 -1.648 -11.138 1.00 95.09 164 A 1 ATOM 1316 N N . TYR A 1 165 ? -12.796 -1.868 -8.955 1.00 96.05 165 A 1 ATOM 1317 C CA . TYR A 1 165 ? -11.453 -1.428 -8.543 1.00 96.56 165 A 1 ATOM 1318 C C . TYR A 1 165 ? -10.328 -2.361 -9.013 1.00 96.98 165 A 1 ATOM 1319 O O . TYR A 1 165 ? -9.262 -1.879 -9.383 1.00 96.24 165 A 1 ATOM 1320 C CB . TYR A 1 165 ? -11.408 -1.272 -7.017 1.00 96.44 165 A 1 ATOM 1321 C CG . TYR A 1 165 ? -10.115 -0.662 -6.493 1.00 96.71 165 A 1 ATOM 1322 C CD1 . TYR A 1 165 ? -9.206 -1.434 -5.738 1.00 95.73 165 A 1 ATOM 1323 C CD2 . TYR A 1 165 ? -9.816 0.684 -6.774 1.00 95.93 165 A 1 ATOM 1324 C CE1 . TYR A 1 165 ? -8.013 -0.854 -5.253 1.00 95.62 165 A 1 ATOM 1325 C CE2 . TYR A 1 165 ? -8.626 1.266 -6.294 1.00 95.65 165 A 1 ATOM 1326 C CZ . TYR A 1 165 ? -7.725 0.499 -5.528 1.00 96.58 165 A 1 ATOM 1327 O OH . TYR A 1 165 ? -6.586 1.070 -5.058 1.00 96.04 165 A 1 ATOM 1328 N N . LEU A 1 166 ? -10.555 -3.679 -9.003 1.00 96.60 166 A 1 ATOM 1329 C CA . LEU A 1 166 ? -9.581 -4.687 -9.442 1.00 96.63 166 A 1 ATOM 1330 C C . LEU A 1 166 ? -10.067 -5.465 -10.681 1.00 96.66 166 A 1 ATOM 1331 O O . LEU A 1 166 ? -9.564 -6.542 -10.980 1.00 95.57 166 A 1 ATOM 1332 C CB . LEU A 1 166 ? -9.201 -5.609 -8.260 1.00 96.23 166 A 1 ATOM 1333 C CG . LEU A 1 166 ? -8.522 -4.900 -7.066 1.00 95.70 166 A 1 ATOM 1334 C CD1 . LEU A 1 166 ? -8.271 -5.900 -5.933 1.00 94.59 166 A 1 ATOM 1335 C CD2 . LEU A 1 166 ? -7.179 -4.257 -7.435 1.00 94.45 166 A 1 ATOM 1336 N N . ASP A 1 167 ? -11.040 -4.919 -11.423 1.00 96.70 167 A 1 ATOM 1337 C CA . ASP A 1 167 ? -11.584 -5.591 -12.603 1.00 96.42 167 A 1 ATOM 1338 C C . ASP A 1 167 ? -10.519 -5.752 -13.694 1.00 96.85 167 A 1 ATOM 1339 O O . ASP A 1 167 ? -9.851 -4.803 -14.123 1.00 96.29 167 A 1 ATOM 1340 C CB . ASP A 1 167 ? -12.813 -4.852 -13.159 1.00 95.47 167 A 1 ATOM 1341 C CG . ASP A 1 167 ? -14.091 -5.048 -12.336 1.00 93.38 167 A 1 ATOM 1342 O OD1 . ASP A 1 167 ? -14.018 -5.657 -11.242 1.00 91.26 167 A 1 ATOM 1343 O OD2 . ASP A 1 167 ? -15.142 -4.572 -12.815 1.00 90.54 167 A 1 ATOM 1344 N N . GLY A 1 168 ? -10.368 -6.985 -14.171 1.00 96.45 168 A 1 ATOM 1345 C CA . GLY A 1 168 ? -9.394 -7.342 -15.203 1.00 96.69 168 A 1 ATOM 1346 C C . GLY A 1 168 ? -7.931 -7.300 -14.748 1.00 97.40 168 A 1 ATOM 1347 O O . GLY A 1 168 ? -7.047 -7.327 -15.606 1.00 96.69 168 A 1 ATOM 1348 N N . VAL A 1 169 ? -7.678 -7.221 -13.443 1.00 97.62 169 A 1 ATOM 1349 C CA . VAL A 1 169 ? -6.358 -7.365 -12.816 1.00 97.85 169 A 1 ATOM 1350 C C . VAL A 1 169 ? -6.217 -8.794 -12.290 1.00 98.22 169 A 1 ATOM 1351 O O . VAL A 1 169 ? -7.122 -9.301 -11.633 1.00 97.59 169 A 1 ATOM 1352 C CB . VAL A 1 169 ? -6.184 -6.330 -11.684 1.00 96.53 169 A 1 ATOM 1353 C CG1 . VAL A 1 169 ? -4.832 -6.456 -10.981 1.00 93.16 169 A 1 ATOM 1354 C CG2 . VAL A 1 169 ? -6.294 -4.890 -12.218 1.00 92.96 169 A 1 ATOM 1355 N N . GLU A 1 170 ? -5.098 -9.449 -12.577 1.00 98.09 170 A 1 ATOM 1356 C CA . GLU A 1 170 ? -4.756 -10.740 -11.970 1.00 98.32 170 A 1 ATOM 1357 C C . GLU A 1 170 ? -4.205 -10.495 -10.564 1.00 98.43 170 A 1 ATOM 1358 O O . GLU A 1 170 ? -3.191 -9.819 -10.403 1.00 97.98 170 A 1 ATOM 1359 C CB . GLU A 1 170 ? -3.747 -11.494 -12.847 1.00 98.18 170 A 1 ATOM 1360 C CG . GLU A 1 170 ? -3.395 -12.871 -12.252 1.00 97.25 170 A 1 ATOM 1361 C CD . GLU A 1 170 ? -2.301 -13.617 -13.030 1.00 97.10 170 A 1 ATOM 1362 O OE1 . GLU A 1 170 ? -1.972 -14.755 -12.619 1.00 91.03 170 A 1 ATOM 1363 O OE2 . GLU A 1 170 ? -1.772 -13.056 -14.006 1.00 93.23 170 A 1 ATOM 1364 N N . VAL A 1 171 ? -4.873 -11.041 -9.546 1.00 98.15 171 A 1 ATOM 1365 C CA . VAL A 1 171 ? -4.438 -10.924 -8.146 1.00 98.21 171 A 1 ATOM 1366 C C . VAL A 1 171 ? -3.643 -12.164 -7.765 1.00 98.26 171 A 1 ATOM 1367 O O . VAL A 1 171 ? -4.165 -13.275 -7.798 1.00 97.67 171 A 1 ATOM 1368 C CB . VAL A 1 171 ? -5.620 -10.691 -7.188 1.00 97.82 171 A 1 ATOM 1369 C CG1 . VAL A 1 171 ? -5.118 -10.409 -5.765 1.00 96.73 171 A 1 ATOM 1370 C CG2 . VAL A 1 171 ? -6.489 -9.501 -7.624 1.00 96.80 171 A 1 ATOM 1371 N N . ILE A 1 172 ? -2.392 -11.972 -7.374 1.00 98.28 172 A 1 ATOM 1372 C CA . ILE A 1 172 ? -1.500 -13.031 -6.893 1.00 98.22 172 A 1 ATOM 1373 C C . ILE A 1 172 ? -0.963 -12.692 -5.503 1.00 98.08 172 A 1 ATOM 1374 O O . ILE A 1 172 ? -1.124 -11.576 -5.011 1.00 97.54 172 A 1 ATOM 1375 C CB . ILE A 1 172 ? -0.359 -13.318 -7.896 1.00 98.11 172 A 1 ATOM 1376 C CG1 . ILE A 1 172 ? 0.652 -12.156 -7.980 1.00 96.92 172 A 1 ATOM 1377 C CG2 . ILE A 1 172 ? -0.923 -13.684 -9.279 1.00 96.08 172 A 1 ATOM 1378 C CD1 . ILE A 1 172 ? 1.945 -12.549 -8.702 1.00 94.92 172 A 1 ATOM 1379 N N . ARG A 1 173 ? -0.275 -13.649 -4.878 1.00 97.49 173 A 1 ATOM 1380 C CA . ARG A 1 173 ? 0.470 -13.428 -3.634 1.00 96.91 173 A 1 ATOM 1381 C C . ARG A 1 173 ? 1.767 -14.221 -3.674 1.00 96.64 173 A 1 ATOM 1382 O O . ARG A 1 173 ? 1.780 -15.413 -3.367 1.00 95.00 173 A 1 ATOM 1383 C CB . ARG A 1 173 ? -0.418 -13.782 -2.437 1.00 95.58 173 A 1 ATOM 1384 C CG . ARG A 1 173 ? 0.288 -13.441 -1.117 1.00 91.88 173 A 1 ATOM 1385 C CD . ARG A 1 173 ? -0.652 -13.720 0.049 1.00 88.44 173 A 1 ATOM 1386 N NE . ARG A 1 173 ? -0.019 -13.367 1.330 1.00 80.04 173 A 1 ATOM 1387 C CZ . ARG A 1 173 ? -0.607 -13.374 2.509 1.00 73.97 173 A 1 ATOM 1388 N NH1 . ARG A 1 173 ? -1.837 -13.777 2.661 1.00 68.12 173 A 1 ATOM 1389 N NH2 . ARG A 1 173 ? 0.033 -12.962 3.565 1.00 64.88 173 A 1 ATOM 1390 N N . GLU A 1 174 ? 2.858 -13.561 -4.038 1.00 96.15 174 A 1 ATOM 1391 C CA . GLU A 1 174 ? 4.155 -14.208 -4.237 1.00 95.99 174 A 1 ATOM 1392 C C . GLU A 1 174 ? 5.318 -13.302 -3.804 1.00 96.05 174 A 1 ATOM 1393 O O . GLU A 1 174 ? 5.241 -12.076 -3.867 1.00 94.74 174 A 1 ATOM 1394 C CB . GLU A 1 174 ? 4.271 -14.637 -5.710 1.00 95.11 174 A 1 ATOM 1395 C CG . GLU A 1 174 ? 5.491 -15.538 -5.930 1.00 92.29 174 A 1 ATOM 1396 C CD . GLU A 1 174 ? 5.565 -16.177 -7.314 1.00 92.40 174 A 1 ATOM 1397 O OE1 . GLU A 1 174 ? 6.615 -16.798 -7.618 1.00 84.39 174 A 1 ATOM 1398 O OE2 . GLU A 1 174 ? 4.606 -16.142 -8.107 1.00 86.47 174 A 1 ATOM 1399 N N . SER A 1 175 ? 6.420 -13.897 -3.364 1.00 96.00 175 A 1 ATOM 1400 C CA . SER A 1 175 ? 7.644 -13.146 -3.076 1.00 95.86 175 A 1 ATOM 1401 C C . SER A 1 175 ? 8.236 -12.559 -4.358 1.00 96.45 175 A 1 ATOM 1402 O O . SER A 1 175 ? 8.324 -13.247 -5.374 1.00 96.15 175 A 1 ATOM 1403 C CB . SER A 1 175 ? 8.672 -14.050 -2.393 1.00 94.51 175 A 1 ATOM 1404 O OG . SER A 1 175 ? 9.848 -13.305 -2.133 1.00 91.02 175 A 1 ATOM 1405 N N . PHE A 1 176 ? 8.727 -11.322 -4.304 1.00 95.97 176 A 1 ATOM 1406 C CA . PHE A 1 176 ? 9.391 -10.701 -5.455 1.00 96.18 176 A 1 ATOM 1407 C C . PHE A 1 176 ? 10.613 -11.492 -5.945 1.00 96.65 176 A 1 ATOM 1408 O O . PHE A 1 176 ? 10.930 -11.453 -7.131 1.00 96.28 176 A 1 ATOM 1409 C CB . PHE A 1 176 ? 9.774 -9.258 -5.108 1.00 95.69 176 A 1 ATOM 1410 C CG . PHE A 1 176 ? 10.996 -9.124 -4.228 1.00 95.60 176 A 1 ATOM 1411 C CD1 . PHE A 1 176 ? 10.869 -9.040 -2.831 1.00 94.59 176 A 1 ATOM 1412 C CD2 . PHE A 1 176 ? 12.273 -9.071 -4.817 1.00 94.37 176 A 1 ATOM 1413 C CE1 . PHE A 1 176 ? 12.012 -8.896 -2.031 1.00 93.30 176 A 1 ATOM 1414 C CE2 . PHE A 1 176 ? 13.415 -8.930 -4.012 1.00 93.32 176 A 1 ATOM 1415 C CZ . PHE A 1 176 ? 13.285 -8.838 -2.618 1.00 93.16 176 A 1 ATOM 1416 N N . HIS A 1 177 ? 11.256 -12.267 -5.058 1.00 96.09 177 A 1 ATOM 1417 C CA . HIS A 1 177 ? 12.392 -13.132 -5.386 1.00 95.67 177 A 1 ATOM 1418 C C . HIS A 1 177 ? 12.058 -14.202 -6.425 1.00 96.39 177 A 1 ATOM 1419 O O . HIS A 1 177 ? 12.930 -14.607 -7.186 1.00 95.61 177 A 1 ATOM 1420 C CB . HIS A 1 177 ? 12.875 -13.859 -4.126 1.00 93.78 177 A 1 ATOM 1421 C CG . HIS A 1 177 ? 13.390 -12.966 -3.035 1.00 88.03 177 A 1 ATOM 1422 N ND1 . HIS A 1 177 ? 14.518 -12.176 -3.090 1.00 75.10 177 A 1 ATOM 1423 C CD2 . HIS A 1 177 ? 12.863 -12.857 -1.784 1.00 75.35 177 A 1 ATOM 1424 C CE1 . HIS A 1 177 ? 14.659 -11.595 -1.887 1.00 75.05 177 A 1 ATOM 1425 N NE2 . HIS A 1 177 ? 13.680 -11.990 -1.063 1.00 77.63 177 A 1 ATOM 1426 N N . THR A 1 178 ? 10.823 -14.700 -6.422 1.00 96.68 178 A 1 ATOM 1427 C CA . THR A 1 178 ? 10.358 -15.730 -7.355 1.00 96.85 178 A 1 ATOM 1428 C C . THR A 1 178 ? 9.482 -15.150 -8.456 1.00 97.38 178 A 1 ATOM 1429 O O . THR A 1 178 ? 9.477 -15.685 -9.561 1.00 96.97 178 A 1 ATOM 1430 C CB . THR A 1 178 ? 9.614 -16.858 -6.623 1.00 96.38 178 A 1 ATOM 1431 O OG1 . THR A 1 178 ? 8.572 -16.360 -5.816 1.00 94.33 178 A 1 ATOM 1432 C CG2 . THR A 1 178 ? 10.548 -17.628 -5.690 1.00 92.89 178 A 1 ATOM 1433 N N . LEU A 1 179 ? 8.783 -14.043 -8.188 1.00 96.94 179 A 1 ATOM 1434 C CA . LEU A 1 179 ? 7.904 -13.382 -9.146 1.00 97.42 179 A 1 ATOM 1435 C C . LEU A 1 179 ? 8.688 -12.719 -10.284 1.00 97.77 179 A 1 ATOM 1436 O O . LEU A 1 179 ? 8.447 -13.034 -11.446 1.00 97.48 179 A 1 ATOM 1437 C CB . LEU A 1 179 ? 7.015 -12.375 -8.388 1.00 97.46 179 A 1 ATOM 1438 C CG . LEU A 1 179 ? 6.053 -11.574 -9.279 1.00 97.12 179 A 1 ATOM 1439 C CD1 . LEU A 1 179 ? 5.098 -12.478 -10.063 1.00 96.27 179 A 1 ATOM 1440 C CD2 . LEU A 1 179 ? 5.229 -10.624 -8.409 1.00 96.22 179 A 1 ATOM 1441 N N . LEU A 1 180 ? 9.619 -11.817 -9.982 1.00 97.78 180 A 1 ATOM 1442 C CA . LEU A 1 180 ? 10.307 -11.022 -11.008 1.00 97.67 180 A 1 ATOM 1443 C C . LEU A 1 180 ? 11.118 -11.875 -12.003 1.00 97.68 180 A 1 ATOM 1444 O O . LEU A 1 180 ? 11.000 -11.619 -13.204 1.00 97.27 180 A 1 ATOM 1445 C CB . LEU A 1 180 ? 11.169 -9.915 -10.372 1.00 97.37 180 A 1 ATOM 1446 C CG . LEU A 1 180 ? 10.401 -8.858 -9.561 1.00 96.34 180 A 1 ATOM 1447 C CD1 . LEU A 1 180 ? 11.390 -7.836 -8.996 1.00 94.49 180 A 1 ATOM 1448 C CD2 . LEU A 1 180 ? 9.375 -8.112 -10.408 1.00 94.16 180 A 1 ATOM 1449 N N . PRO A 1 181 ? 11.865 -12.920 -11.570 1.00 97.49 181 A 1 ATOM 1450 C CA . PRO A 1 181 ? 12.613 -13.774 -12.497 1.00 97.23 181 A 1 ATOM 1451 C C . PRO A 1 181 ? 11.753 -14.477 -13.555 1.00 97.36 181 A 1 ATOM 1452 O O . PRO A 1 181 ? 12.254 -14.765 -14.635 1.00 96.85 181 A 1 ATOM 1453 C CB . PRO A 1 181 ? 13.346 -14.790 -11.615 1.00 96.62 181 A 1 ATOM 1454 C CG . PRO A 1 181 ? 13.538 -14.039 -10.304 1.00 95.54 181 A 1 ATOM 1455 C CD . PRO A 1 181 ? 12.231 -13.260 -10.200 1.00 96.91 181 A 1 ATOM 1456 N N . LYS A 1 182 ? 10.457 -14.704 -13.299 1.00 97.40 182 A 1 ATOM 1457 C CA . LYS A 1 182 ? 9.539 -15.311 -14.285 1.00 97.42 182 A 1 ATOM 1458 C C . LYS A 1 182 ? 9.341 -14.447 -15.532 1.00 97.67 182 A 1 ATOM 1459 O O . LYS A 1 182 ? 8.887 -14.950 -16.555 1.00 97.03 182 A 1 ATOM 1460 C CB . LYS A 1 182 ? 8.165 -15.567 -13.648 1.00 97.29 182 A 1 ATOM 1461 C CG . LYS A 1 182 ? 8.204 -16.575 -12.499 1.00 96.74 182 A 1 ATOM 1462 C CD . LYS A 1 182 ? 6.817 -16.673 -11.855 1.00 95.49 182 A 1 ATOM 1463 C CE . LYS A 1 182 ? 6.865 -17.621 -10.663 1.00 92.41 182 A 1 ATOM 1464 N NZ . LYS A 1 182 ? 5.554 -17.667 -9.975 1.00 87.91 182 A 1 ATOM 1465 N N . PHE A 1 183 ? 9.649 -13.161 -15.431 1.00 97.35 183 A 1 ATOM 1466 C CA . PHE A 1 183 ? 9.425 -12.174 -16.481 1.00 97.18 183 A 1 ATOM 1467 C C . PHE A 1 183 ? 10.720 -11.517 -16.981 1.00 97.10 183 A 1 ATOM 1468 O O . PHE A 1 183 ? 10.644 -10.618 -17.813 1.00 95.96 183 A 1 ATOM 1469 C CB . PHE A 1 183 ? 8.417 -11.135 -15.971 1.00 97.25 183 A 1 ATOM 1470 C CG . PHE A 1 183 ? 7.064 -11.707 -15.587 1.00 97.53 183 A 1 ATOM 1471 C CD1 . PHE A 1 183 ? 6.077 -11.914 -16.569 1.00 96.74 183 A 1 ATOM 1472 C CD2 . PHE A 1 183 ? 6.796 -12.049 -14.249 1.00 96.92 183 A 1 ATOM 1473 C CE1 . PHE A 1 183 ? 4.826 -12.450 -16.213 1.00 96.34 183 A 1 ATOM 1474 C CE2 . PHE A 1 183 ? 5.546 -12.591 -13.894 1.00 96.53 183 A 1 ATOM 1475 C CZ . PHE A 1 183 ? 4.561 -12.790 -14.874 1.00 96.56 183 A 1 ATOM 1476 N N . SER A 1 184 ? 11.894 -11.949 -16.517 1.00 96.65 184 A 1 ATOM 1477 C CA . SER A 1 184 ? 13.186 -11.321 -16.845 1.00 95.62 184 A 1 ATOM 1478 C C . SER A 1 184 ? 13.509 -11.306 -18.340 1.00 95.90 184 A 1 ATOM 1479 O O . SER A 1 184 ? 14.146 -10.377 -18.820 1.00 93.95 184 A 1 ATOM 1480 C CB . SER A 1 184 ? 14.324 -12.025 -16.102 1.00 93.37 184 A 1 ATOM 1481 O OG . SER A 1 184 ? 14.402 -13.399 -16.443 1.00 83.54 184 A 1 ATOM 1482 N N . ASP A 1 185 ? 13.026 -12.313 -19.078 1.00 96.12 185 A 1 ATOM 1483 C CA . ASP A 1 185 ? 13.297 -12.466 -20.512 1.00 96.24 185 A 1 ATOM 1484 C C . ASP A 1 185 ? 12.231 -11.795 -21.394 1.00 96.98 185 A 1 ATOM 1485 O O . ASP A 1 185 ? 12.320 -11.814 -22.623 1.00 95.79 185 A 1 ATOM 1486 C CB . ASP A 1 185 ? 13.445 -13.960 -20.838 1.00 94.86 185 A 1 ATOM 1487 C CG . ASP A 1 185 ? 14.567 -14.645 -20.050 1.00 89.96 185 A 1 ATOM 1488 O OD1 . ASP A 1 185 ? 15.553 -13.966 -19.692 1.00 84.71 185 A 1 ATOM 1489 O OD2 . ASP A 1 185 ? 14.412 -15.856 -19.787 1.00 84.92 185 A 1 ATOM 1490 N N . ASN A 1 186 ? 11.205 -11.194 -20.787 1.00 96.65 186 A 1 ATOM 1491 C CA . ASN A 1 186 ? 10.140 -10.516 -21.513 1.00 97.08 186 A 1 ATOM 1492 C C . ASN A 1 186 ? 10.418 -9.000 -21.614 1.00 97.60 186 A 1 ATOM 1493 O O . ASN A 1 186 ? 10.194 -8.277 -20.642 1.00 97.22 186 A 1 ATOM 1494 C CB . ASN A 1 186 ? 8.788 -10.836 -20.851 1.00 96.52 186 A 1 ATOM 1495 C CG . ASN A 1 186 ? 7.614 -10.188 -21.568 1.00 96.37 186 A 1 ATOM 1496 O OD1 . ASN A 1 186 ? 7.739 -9.504 -22.580 1.00 93.53 186 A 1 ATOM 1497 N ND2 . ASN A 1 186 ? 6.416 -10.377 -21.069 1.00 92.16 186 A 1 ATOM 1498 N N . PRO A 1 187 ? 10.788 -8.469 -22.798 1.00 97.17 187 A 1 ATOM 1499 C CA . PRO A 1 187 ? 11.080 -7.042 -22.964 1.00 97.15 187 A 1 ATOM 1500 C C . PRO A 1 187 ? 9.843 -6.136 -22.835 1.00 97.69 187 A 1 ATOM 1501 O O . PRO A 1 187 ? 9.967 -4.912 -22.820 1.00 97.09 187 A 1 ATOM 1502 C CB . PRO A 1 187 ? 11.709 -6.940 -24.359 1.00 96.35 187 A 1 ATOM 1503 C CG . PRO A 1 187 ? 11.047 -8.082 -25.126 1.00 94.47 187 A 1 ATOM 1504 C CD . PRO A 1 187 ? 10.932 -9.175 -24.061 1.00 96.76 187 A 1 ATOM 1505 N N . LYS A 1 188 ? 8.640 -6.716 -22.767 1.00 97.65 188 A 1 ATOM 1506 C CA . LYS A 1 188 ? 7.368 -6.025 -22.519 1.00 98.15 188 A 1 ATOM 1507 C C . LYS A 1 188 ? 6.812 -6.292 -21.111 1.00 98.47 188 A 1 ATOM 1508 O O . LYS A 1 188 ? 5.626 -6.071 -20.879 1.00 98.20 188 A 1 ATOM 1509 C CB . LYS A 1 188 ? 6.349 -6.386 -23.610 1.00 97.88 188 A 1 ATOM 1510 C CG . LYS A 1 188 ? 6.708 -5.848 -24.998 1.00 96.83 188 A 1 ATOM 1511 C CD . LYS A 1 188 ? 5.522 -6.144 -25.929 1.00 94.82 188 A 1 ATOM 1512 C CE . LYS A 1 188 ? 5.713 -5.564 -27.329 1.00 89.83 188 A 1 ATOM 1513 N NZ . LYS A 1 188 ? 4.483 -5.787 -28.133 1.00 82.53 188 A 1 ATOM 1514 N N . ALA A 1 189 ? 7.636 -6.770 -20.186 1.00 98.36 189 A 1 ATOM 1515 C CA . ALA A 1 189 ? 7.265 -6.889 -18.781 1.00 98.48 189 A 1 ATOM 1516 C C . ALA A 1 189 ? 7.737 -5.649 -18.009 1.00 98.56 189 A 1 ATOM 1517 O O . ALA A 1 189 ? 8.916 -5.516 -17.693 1.00 98.12 189 A 1 ATOM 1518 C CB . ALA A 1 189 ? 7.833 -8.191 -18.216 1.00 98.20 189 A 1 ATOM 1519 N N . LEU A 1 190 ? 6.815 -4.739 -17.712 1.00 98.37 190 A 1 ATOM 1520 C CA . LEU A 1 190 ? 7.093 -3.560 -16.890 1.00 98.47 190 A 1 ATOM 1521 C C . LEU A 1 190 ? 7.021 -3.923 -15.405 1.00 98.50 190 A 1 ATOM 1522 O O . LEU A 1 190 ? 5.947 -4.253 -14.899 1.00 98.14 190 A 1 ATOM 1523 C CB . LEU A 1 190 ? 6.110 -2.435 -17.250 1.00 98.38 190 A 1 ATOM 1524 C CG . LEU A 1 190 ? 6.215 -1.202 -16.330 1.00 98.07 190 A 1 ATOM 1525 C CD1 . LEU A 1 190 ? 7.569 -0.507 -16.432 1.00 97.23 190 A 1 ATOM 1526 C CD2 . LEU A 1 190 ? 5.131 -0.189 -16.683 1.00 97.24 190 A 1 ATOM 1527 N N . PHE A 1 191 ? 8.132 -3.770 -14.695 1.00 98.32 191 A 1 ATOM 1528 C CA . PHE A 1 191 ? 8.179 -3.914 -13.244 1.00 98.18 191 A 1 ATOM 1529 C C . PHE A 1 191 ? 7.810 -2.595 -12.565 1.00 98.24 191 A 1 ATOM 1530 O O . PHE A 1 191 ? 8.510 -1.595 -12.691 1.00 97.87 191 A 1 ATOM 1531 C CB . PHE A 1 191 ? 9.562 -4.424 -12.818 1.00 97.77 191 A 1 ATOM 1532 C CG . PHE A 1 191 ? 9.985 -5.776 -13.385 1.00 97.04 191 A 1 ATOM 1533 C CD1 . PHE A 1 191 ? 9.043 -6.717 -13.835 1.00 93.81 191 A 1 ATOM 1534 C CD2 . PHE A 1 191 ? 11.354 -6.098 -13.446 1.00 93.41 191 A 1 ATOM 1535 C CE1 . PHE A 1 191 ? 9.459 -7.960 -14.349 1.00 91.02 191 A 1 ATOM 1536 C CE2 . PHE A 1 191 ? 11.770 -7.343 -13.952 1.00 91.13 191 A 1 ATOM 1537 C CZ . PHE A 1 191 ? 10.823 -8.271 -14.406 1.00 91.77 191 A 1 ATOM 1538 N N . VAL A 1 192 ? 6.706 -2.593 -11.818 1.00 98.02 192 A 1 ATOM 1539 C CA . VAL A 1 192 ? 6.325 -1.490 -10.935 1.00 97.94 192 A 1 ATOM 1540 C C . VAL A 1 192 ? 6.769 -1.858 -9.523 1.00 97.63 192 A 1 ATOM 1541 O O . VAL A 1 192 ? 6.284 -2.828 -8.939 1.00 96.94 192 A 1 ATOM 1542 C CB . VAL A 1 192 ? 4.822 -1.181 -11.028 1.00 97.79 192 A 1 ATOM 1543 C CG1 . VAL A 1 192 ? 4.461 0.019 -10.151 1.00 96.86 192 A 1 ATOM 1544 C CG2 . VAL A 1 192 ? 4.407 -0.855 -12.470 1.00 96.89 192 A 1 ATOM 1545 N N . LEU A 1 193 ? 7.739 -1.115 -8.998 1.00 97.54 193 A 1 ATOM 1546 C CA . LEU A 1 193 ? 8.471 -1.424 -7.778 1.00 97.12 193 A 1 ATOM 1547 C C . LEU A 1 193 ? 8.241 -0.318 -6.747 1.00 96.54 193 A 1 ATOM 1548 O O . LEU A 1 193 ? 8.771 0.785 -6.877 1.00 95.57 193 A 1 ATOM 1549 C CB . LEU A 1 193 ? 9.969 -1.606 -8.109 1.00 97.04 193 A 1 ATOM 1550 C CG . LEU A 1 193 ? 10.293 -2.627 -9.222 1.00 96.55 193 A 1 ATOM 1551 C CD1 . LEU A 1 193 ? 11.796 -2.666 -9.478 1.00 95.64 193 A 1 ATOM 1552 C CD2 . LEU A 1 193 ? 9.835 -4.040 -8.868 1.00 95.41 193 A 1 ATOM 1553 N N . ASP A 1 194 ? 7.450 -0.608 -5.721 1.00 95.52 194 A 1 ATOM 1554 C CA . ASP A 1 194 ? 7.228 0.268 -4.564 1.00 94.80 194 A 1 ATOM 1555 C C . ASP A 1 194 ? 7.548 -0.464 -3.250 1.00 94.41 194 A 1 ATOM 1556 O O . ASP A 1 194 ? 6.641 -0.739 -2.456 1.00 92.88 194 A 1 ATOM 1557 C CB . ASP A 1 194 ? 5.798 0.839 -4.584 1.00 93.72 194 A 1 ATOM 1558 C CG . ASP A 1 194 ? 5.595 1.888 -3.487 1.00 91.81 194 A 1 ATOM 1559 O OD1 . ASP A 1 194 ? 6.587 2.501 -3.020 1.00 89.16 194 A 1 ATOM 1560 O OD2 . ASP A 1 194 ? 4.442 2.261 -3.165 1.00 88.22 194 A 1 ATOM 1561 N N . PRO A 1 195 ? 8.820 -0.851 -3.024 1.00 94.28 195 A 1 ATOM 1562 C CA . PRO A 1 195 ? 9.182 -1.623 -1.846 1.00 93.58 195 A 1 ATOM 1563 C C . PRO A 1 195 ? 8.976 -0.815 -0.557 1.00 92.61 195 A 1 ATOM 1564 O O . PRO A 1 195 ? 9.061 0.422 -0.563 1.00 91.08 195 A 1 ATOM 1565 C CB . PRO A 1 195 ? 10.650 -2.006 -2.041 1.00 93.31 195 A 1 ATOM 1566 C CG . PRO A 1 195 ? 11.195 -0.848 -2.869 1.00 92.76 195 A 1 ATOM 1567 C CD . PRO A 1 195 ? 10.020 -0.508 -3.780 1.00 93.95 195 A 1 ATOM 1568 N N . PRO A 1 196 ? 8.788 -1.492 0.586 1.00 91.35 196 A 1 ATOM 1569 C CA . PRO A 1 196 ? 8.884 -0.852 1.891 1.00 89.92 196 A 1 ATOM 1570 C C . PRO A 1 196 ? 10.210 -0.091 2.043 1.00 88.93 196 A 1 ATOM 1571 O O . PRO A 1 196 ? 11.259 -0.517 1.564 1.00 86.34 196 A 1 ATOM 1572 C CB . PRO A 1 196 ? 8.754 -1.977 2.920 1.00 88.45 196 A 1 ATOM 1573 C CG . PRO A 1 196 ? 8.003 -3.074 2.166 1.00 87.59 196 A 1 ATOM 1574 C CD . PRO A 1 196 ? 8.517 -2.916 0.738 1.00 90.04 196 A 1 ATOM 1575 N N . TYR A 1 197 ? 10.186 1.049 2.740 1.00 84.81 197 A 1 ATOM 1576 C CA . TYR A 1 197 ? 11.410 1.813 2.983 1.00 82.72 197 A 1 ATOM 1577 C C . TYR A 1 197 ? 12.340 1.075 3.945 1.00 82.68 197 A 1 ATOM 1578 O O . TYR A 1 197 ? 11.896 0.573 4.976 1.00 78.83 197 A 1 ATOM 1579 C CB . TYR A 1 197 ? 11.086 3.218 3.508 1.00 78.87 197 A 1 ATOM 1580 C CG . TYR A 1 197 ? 10.265 4.105 2.579 1.00 75.94 197 A 1 ATOM 1581 C CD1 . TYR A 1 197 ? 10.368 3.988 1.174 1.00 71.90 197 A 1 ATOM 1582 C CD2 . TYR A 1 197 ? 9.398 5.069 3.134 1.00 70.25 197 A 1 ATOM 1583 C CE1 . TYR A 1 197 ? 9.597 4.813 0.331 1.00 65.61 197 A 1 ATOM 1584 C CE2 . TYR A 1 197 ? 8.633 5.901 2.293 1.00 66.13 197 A 1 ATOM 1585 C CZ . TYR A 1 197 ? 8.727 5.772 0.890 1.00 64.18 197 A 1 ATOM 1586 O OH . TYR A 1 197 ? 7.982 6.569 0.084 1.00 61.67 197 A 1 ATOM 1587 N N . LEU A 1 198 ? 13.650 1.084 3.639 1.00 81.68 198 A 1 ATOM 1588 C CA . LEU A 1 198 ? 14.671 0.626 4.576 1.00 79.47 198 A 1 ATOM 1589 C C . LEU A 1 198 ? 14.551 1.411 5.889 1.00 76.11 198 A 1 ATOM 1590 O O . LEU A 1 198 ? 14.620 2.641 5.910 1.00 67.49 198 A 1 ATOM 1591 C CB . LEU A 1 198 ? 16.072 0.792 3.966 1.00 77.38 198 A 1 ATOM 1592 C CG . LEU A 1 198 ? 16.364 -0.106 2.752 1.00 75.43 198 A 1 ATOM 1593 C CD1 . LEU A 1 198 ? 17.755 0.235 2.216 1.00 71.96 198 A 1 ATOM 1594 C CD2 . LEU A 1 198 ? 16.324 -1.591 3.109 1.00 72.35 198 A 1 ATOM 1595 N N . CYS A 1 199 ? 14.365 0.699 6.991 1.00 68.37 199 A 1 ATOM 1596 C CA . CYS A 1 199 ? 14.278 1.282 8.326 1.00 64.78 199 A 1 ATOM 1597 C C . CYS A 1 199 ? 15.532 0.924 9.123 1.00 63.63 199 A 1 ATOM 1598 O O . CYS A 1 199 ? 15.902 -0.239 9.239 1.00 57.48 199 A 1 ATOM 1599 C CB . CYS A 1 199 ? 12.989 0.806 8.999 1.00 58.88 199 A 1 ATOM 1600 S SG . CYS A 1 199 ? 12.734 1.692 10.567 1.00 51.87 199 A 1 ATOM 1601 N N . THR A 1 200 ? 16.167 1.923 9.720 1.00 60.98 200 A 1 ATOM 1602 C CA . THR A 1 200 ? 17.371 1.733 10.549 1.00 58.35 200 A 1 ATOM 1603 C C . THR A 1 200 ? 17.068 1.315 11.989 1.00 57.23 200 A 1 ATOM 1604 O O . THR A 1 200 ? 17.981 1.059 12.766 1.00 52.88 200 A 1 ATOM 1605 C CB . THR A 1 200 ? 18.222 3.009 10.541 1.00 52.07 200 A 1 ATOM 1606 O OG1 . THR A 1 200 ? 17.421 4.108 10.925 1.00 47.22 200 A 1 ATOM 1607 C CG2 . THR A 1 200 ? 18.773 3.318 9.150 1.00 46.75 200 A 1 ATOM 1608 N N . LYS A 1 201 ? 15.787 1.233 12.382 1.00 54.51 201 A 1 ATOM 1609 C CA . LYS A 1 201 ? 15.399 0.822 13.739 1.00 54.34 201 A 1 ATOM 1610 C C . LYS A 1 201 ? 15.541 -0.694 13.908 1.00 54.89 201 A 1 ATOM 1611 O O . LYS A 1 201 ? 14.870 -1.454 13.218 1.00 50.41 201 A 1 ATOM 1612 C CB . LYS A 1 201 ? 13.967 1.268 14.070 1.00 48.51 201 A 1 ATOM 1613 C CG . LYS A 1 201 ? 13.832 2.791 14.183 1.00 43.63 201 A 1 ATOM 1614 C CD . LYS A 1 201 ? 12.420 3.150 14.662 1.00 41.98 201 A 1 ATOM 1615 C CE . LYS A 1 201 ? 12.269 4.665 14.826 1.00 37.16 201 A 1 ATOM 1616 N NZ . LYS A 1 201 ? 10.940 5.003 15.382 1.00 34.08 201 A 1 ATOM 1617 N N . GLN A 1 202 ? 16.349 -1.129 14.892 1.00 53.76 202 A 1 ATOM 1618 C CA . GLN A 1 202 ? 16.576 -2.551 15.198 1.00 53.32 202 A 1 ATOM 1619 C C . GLN A 1 202 ? 15.290 -3.359 15.455 1.00 55.76 202 A 1 ATOM 1620 O O . GLN A 1 202 ? 15.260 -4.557 15.189 1.00 51.66 202 A 1 ATOM 1621 C CB . GLN A 1 202 ? 17.476 -2.678 16.436 1.00 47.42 202 A 1 ATOM 1622 C CG . GLN A 1 202 ? 18.951 -2.358 16.157 1.00 41.89 202 A 1 ATOM 1623 C CD . GLN A 1 202 ? 19.831 -2.603 17.382 1.00 38.53 202 A 1 ATOM 1624 O OE1 . GLN A 1 202 ? 19.373 -2.719 18.507 1.00 37.45 202 A 1 ATOM 1625 N NE2 . GLN A 1 202 ? 21.129 -2.698 17.216 1.00 36.88 202 A 1 ATOM 1626 N N . GLU A 1 203 ? 14.232 -2.722 15.975 1.00 54.11 203 A 1 ATOM 1627 C CA . GLU A 1 203 ? 12.942 -3.382 16.224 1.00 55.35 203 A 1 ATOM 1628 C C . GLU A 1 203 ? 12.256 -3.850 14.936 1.00 56.41 203 A 1 ATOM 1629 O O . GLU A 1 203 ? 11.602 -4.890 14.943 1.00 52.67 203 A 1 ATOM 1630 C CB . GLU A 1 203 ? 12.022 -2.428 16.995 1.00 52.14 203 A 1 ATOM 1631 C CG . GLU A 1 203 ? 12.548 -2.144 18.413 1.00 46.38 203 A 1 ATOM 1632 C CD . GLU A 1 203 ? 11.689 -1.135 19.192 1.00 43.18 203 A 1 ATOM 1633 O OE1 . GLU A 1 203 ? 11.995 -0.947 20.390 1.00 40.25 203 A 1 ATOM 1634 O OE2 . GLU A 1 203 ? 10.790 -0.508 18.583 1.00 41.81 203 A 1 ATOM 1635 N N . SER A 1 204 ? 12.467 -3.136 13.821 1.00 53.51 204 A 1 ATOM 1636 C CA . SER A 1 204 ? 11.902 -3.484 12.514 1.00 53.71 204 A 1 ATOM 1637 C C . SER A 1 204 ? 12.518 -4.771 11.946 1.00 54.41 204 A 1 ATOM 1638 O O . SER A 1 204 ? 11.812 -5.556 11.330 1.00 51.64 204 A 1 ATOM 1639 C CB . SER A 1 204 ? 12.099 -2.323 11.537 1.00 50.87 204 A 1 ATOM 1640 O OG . SER A 1 204 ? 11.530 -1.121 12.038 1.00 46.57 204 A 1 ATOM 1641 N N . TYR A 1 205 ? 13.800 -5.048 12.230 1.00 50.05 205 A 1 ATOM 1642 C CA . TYR A 1 205 ? 14.514 -6.250 11.769 1.00 51.12 205 A 1 ATOM 1643 C C . TYR A 1 205 ? 14.087 -7.549 12.479 1.00 52.88 205 A 1 ATOM 1644 O O . TYR A 1 205 ? 14.486 -8.635 12.072 1.00 49.56 205 A 1 ATOM 1645 C CB . TYR A 1 205 ? 16.023 -6.043 11.929 1.00 46.31 205 A 1 ATOM 1646 C CG . TYR A 1 205 ? 16.609 -4.999 10.995 1.00 42.04 205 A 1 ATOM 1647 C CD1 . TYR A 1 205 ? 17.005 -5.370 9.695 1.00 39.81 205 A 1 ATOM 1648 C CD2 . TYR A 1 205 ? 16.765 -3.668 11.420 1.00 38.25 205 A 1 ATOM 1649 C CE1 . TYR A 1 205 ? 17.549 -4.412 8.823 1.00 36.28 205 A 1 ATOM 1650 C CE2 . TYR A 1 205 ? 17.304 -2.703 10.545 1.00 37.40 205 A 1 ATOM 1651 C CZ . TYR A 1 205 ? 17.696 -3.073 9.244 1.00 38.22 205 A 1 ATOM 1652 O OH . TYR A 1 205 ? 18.206 -2.139 8.399 1.00 37.07 205 A 1 ATOM 1653 N N . LYS A 1 206 ? 13.292 -7.458 13.551 1.00 51.45 206 A 1 ATOM 1654 C CA . LYS A 1 206 ? 12.798 -8.633 14.295 1.00 53.91 206 A 1 ATOM 1655 C C . LYS A 1 206 ? 11.508 -9.225 13.718 1.00 56.08 206 A 1 ATOM 1656 O O . LYS A 1 206 ? 11.049 -10.251 14.213 1.00 52.57 206 A 1 ATOM 1657 C CB . LYS A 1 206 ? 12.627 -8.285 15.781 1.00 48.95 206 A 1 ATOM 1658 C CG . LYS A 1 206 ? 13.968 -7.986 16.460 1.00 43.71 206 A 1 ATOM 1659 C CD . LYS A 1 206 ? 13.750 -7.725 17.952 1.00 41.11 206 A 1 ATOM 1660 C CE . LYS A 1 206 ? 15.092 -7.436 18.627 1.00 35.37 206 A 1 ATOM 1661 N NZ . LYS A 1 206 ? 14.916 -7.180 20.080 1.00 31.72 206 A 1 ATOM 1662 N N . GLN A 1 207 ? 10.898 -8.589 12.716 1.00 60.54 207 A 1 ATOM 1663 C CA . GLN A 1 207 ? 9.685 -9.097 12.078 1.00 62.39 207 A 1 ATOM 1664 C C . GLN A 1 207 ? 10.052 -10.110 10.985 1.00 66.23 207 A 1 ATOM 1665 O O . GLN A 1 207 ? 10.855 -9.810 10.112 1.00 62.36 207 A 1 ATOM 1666 C CB . GLN A 1 207 ? 8.838 -7.942 11.525 1.00 57.83 207 A 1 ATOM 1667 C CG . GLN A 1 207 ? 8.289 -7.041 12.644 1.00 52.79 207 A 1 ATOM 1668 C CD . GLN A 1 207 ? 7.376 -5.927 12.133 1.00 48.82 207 A 1 ATOM 1669 O OE1 . GLN A 1 207 ? 7.189 -5.701 10.954 1.00 46.69 207 A 1 ATOM 1670 N NE2 . GLN A 1 207 ? 6.760 -5.171 13.014 1.00 44.38 207 A 1 ATOM 1671 N N . ALA A 1 208 ? 9.439 -11.289 11.005 1.00 59.24 208 A 1 ATOM 1672 C CA . ALA A 1 208 ? 9.736 -12.382 10.065 1.00 60.96 208 A 1 ATOM 1673 C C . ALA A 1 208 ? 9.474 -12.044 8.580 1.00 64.37 208 A 1 ATOM 1674 O O . ALA A 1 208 ? 9.932 -12.761 7.699 1.00 61.01 208 A 1 ATOM 1675 C CB . ALA A 1 208 ? 8.915 -13.602 10.503 1.00 57.23 208 A 1 ATOM 1676 N N . THR A 1 209 ? 8.733 -10.977 8.304 1.00 70.63 209 A 1 ATOM 1677 C CA . THR A 1 209 ? 8.365 -10.499 6.957 1.00 72.22 209 A 1 ATOM 1678 C C . THR A 1 209 ? 8.901 -9.095 6.661 1.00 74.93 209 A 1 ATOM 1679 O O . THR A 1 209 ? 8.356 -8.388 5.816 1.00 70.92 209 A 1 ATOM 1680 C CB . THR A 1 209 ? 6.839 -10.536 6.776 1.00 67.04 209 A 1 ATOM 1681 O OG1 . THR A 1 209 ? 6.222 -9.774 7.787 1.00 59.42 209 A 1 ATOM 1682 C CG2 . THR A 1 209 ? 6.280 -11.954 6.860 1.00 58.30 209 A 1 ATOM 1683 N N . TYR A 1 210 ? 9.930 -8.646 7.392 1.00 77.21 210 A 1 ATOM 1684 C CA . TYR A 1 210 ? 10.496 -7.315 7.202 1.00 79.22 210 A 1 ATOM 1685 C C . TYR A 1 210 ? 11.323 -7.251 5.913 1.00 83.15 210 A 1 ATOM 1686 O O . TYR A 1 210 ? 12.184 -8.096 5.688 1.00 81.06 210 A 1 ATOM 1687 C CB . TYR A 1 210 ? 11.333 -6.934 8.430 1.00 73.26 210 A 1 ATOM 1688 C CG . TYR A 1 210 ? 11.952 -5.555 8.325 1.00 67.82 210 A 1 ATOM 1689 C CD1 . TYR A 1 210 ? 13.346 -5.417 8.182 1.00 64.89 210 A 1 ATOM 1690 C CD2 . TYR A 1 210 ? 11.129 -4.416 8.317 1.00 61.61 210 A 1 ATOM 1691 C CE1 . TYR A 1 210 ? 13.916 -4.143 8.030 1.00 55.60 210 A 1 ATOM 1692 C CE2 . TYR A 1 210 ? 11.696 -3.136 8.155 1.00 57.32 210 A 1 ATOM 1693 C CZ . TYR A 1 210 ? 13.092 -3.002 8.010 1.00 54.61 210 A 1 ATOM 1694 O OH . TYR A 1 210 ? 13.636 -1.776 7.848 1.00 54.82 210 A 1 ATOM 1695 N N . PHE A 1 211 ? 11.084 -6.228 5.099 1.00 84.75 211 A 1 ATOM 1696 C CA . PHE A 1 211 ? 11.906 -5.921 3.929 1.00 85.93 211 A 1 ATOM 1697 C C . PHE A 1 211 ? 13.204 -5.244 4.394 1.00 85.29 211 A 1 ATOM 1698 O O . PHE A 1 211 ? 13.206 -4.075 4.800 1.00 84.10 211 A 1 ATOM 1699 C CB . PHE A 1 211 ? 11.105 -5.047 2.961 1.00 87.36 211 A 1 ATOM 1700 C CG . PHE A 1 211 ? 11.822 -4.781 1.652 1.00 88.77 211 A 1 ATOM 1701 C CD1 . PHE A 1 211 ? 12.628 -3.639 1.499 1.00 88.02 211 A 1 ATOM 1702 C CD2 . PHE A 1 211 ? 11.684 -5.683 0.582 1.00 88.65 211 A 1 ATOM 1703 C CE1 . PHE A 1 211 ? 13.282 -3.397 0.279 1.00 88.15 211 A 1 ATOM 1704 C CE2 . PHE A 1 211 ? 12.338 -5.439 -0.639 1.00 88.62 211 A 1 ATOM 1705 C CZ . PHE A 1 211 ? 13.133 -4.294 -0.792 1.00 89.39 211 A 1 ATOM 1706 N N . ASP A 1 212 ? 14.300 -5.991 4.385 1.00 87.62 212 A 1 ATOM 1707 C CA . ASP A 1 212 ? 15.584 -5.570 4.938 1.00 88.11 212 A 1 ATOM 1708 C C . ASP A 1 212 ? 16.583 -5.098 3.865 1.00 89.66 212 A 1 ATOM 1709 O O . ASP A 1 212 ? 16.265 -4.958 2.677 1.00 89.82 212 A 1 ATOM 1710 C CB . ASP A 1 212 ? 16.112 -6.665 5.890 1.00 86.55 212 A 1 ATOM 1711 C CG . ASP A 1 212 ? 16.692 -7.925 5.234 1.00 85.78 212 A 1 ATOM 1712 O OD1 . ASP A 1 212 ? 16.931 -7.906 4.009 1.00 83.08 212 A 1 ATOM 1713 O OD2 . ASP A 1 212 ? 17.045 -8.853 5.999 1.00 82.27 212 A 1 ATOM 1714 N N . LEU A 1 213 ? 17.817 -4.805 4.279 1.00 88.57 213 A 1 ATOM 1715 C CA . LEU A 1 213 ? 18.886 -4.404 3.362 1.00 89.68 213 A 1 ATOM 1716 C C . LEU A 1 213 ? 19.219 -5.505 2.343 1.00 90.86 213 A 1 ATOM 1717 O O . LEU A 1 213 ? 19.546 -5.197 1.200 1.00 91.07 213 A 1 ATOM 1718 C CB . LEU A 1 213 ? 20.125 -4.015 4.192 1.00 89.28 213 A 1 ATOM 1719 C CG . LEU A 1 213 ? 21.357 -3.611 3.358 1.00 87.62 213 A 1 ATOM 1720 C CD1 . LEU A 1 213 ? 21.105 -2.377 2.491 1.00 85.40 213 A 1 ATOM 1721 C CD2 . LEU A 1 213 ? 22.530 -3.308 4.292 1.00 84.77 213 A 1 ATOM 1722 N N . ILE A 1 214 ? 19.143 -6.776 2.741 1.00 91.68 214 A 1 ATOM 1723 C CA . ILE A 1 214 ? 19.445 -7.905 1.857 1.00 92.25 214 A 1 ATOM 1724 C C . ILE A 1 214 ? 18.361 -8.031 0.788 1.00 93.14 214 A 1 ATOM 1725 O O . ILE A 1 214 ? 18.682 -8.191 -0.391 1.00 93.11 214 A 1 ATOM 1726 C CB . ILE A 1 214 ? 19.614 -9.213 2.665 1.00 91.67 214 A 1 ATOM 1727 C CG1 . ILE A 1 214 ? 20.699 -9.103 3.768 1.00 89.71 214 A 1 ATOM 1728 C CG2 . ILE A 1 214 ? 19.921 -10.393 1.728 1.00 89.24 214 A 1 ATOM 1729 C CD1 . ILE A 1 214 ? 22.094 -8.693 3.275 1.00 80.76 214 A 1 ATOM 1730 N N . ASP A 1 215 ? 17.093 -7.888 1.170 1.00 92.07 215 A 1 ATOM 1731 C CA . ASP A 1 215 ? 15.974 -7.860 0.229 1.00 92.49 215 A 1 ATOM 1732 C C . ASP A 1 215 ? 16.080 -6.679 -0.738 1.00 93.58 215 A 1 ATOM 1733 O O . ASP A 1 215 ? 15.896 -6.846 -1.943 1.00 93.61 215 A 1 ATOM 1734 C CB . ASP A 1 215 ? 14.652 -7.794 0.999 1.00 91.55 215 A 1 ATOM 1735 C CG . ASP A 1 215 ? 14.316 -9.103 1.707 1.00 89.99 215 A 1 ATOM 1736 O OD1 . ASP A 1 215 ? 14.669 -10.177 1.151 1.00 86.74 215 A 1 ATOM 1737 O OD2 . ASP A 1 215 ? 13.673 -9.019 2.773 1.00 86.10 215 A 1 ATOM 1738 N N . PHE A 1 216 ? 16.460 -5.505 -0.245 1.00 92.24 216 A 1 ATOM 1739 C CA . PHE A 1 216 ? 16.708 -4.341 -1.085 1.00 92.47 216 A 1 ATOM 1740 C C . PHE A 1 216 ? 17.825 -4.597 -2.109 1.00 93.57 216 A 1 ATOM 1741 O O . PHE A 1 216 ? 17.632 -4.364 -3.303 1.00 93.87 216 A 1 ATOM 1742 C CB . PHE A 1 216 ? 17.032 -3.138 -0.192 1.00 91.85 216 A 1 ATOM 1743 C CG . PHE A 1 216 ? 17.473 -1.921 -0.979 1.00 90.55 216 A 1 ATOM 1744 C CD1 . PHE A 1 216 ? 18.842 -1.610 -1.087 1.00 88.42 216 A 1 ATOM 1745 C CD2 . PHE A 1 216 ? 16.518 -1.137 -1.645 1.00 88.20 216 A 1 ATOM 1746 C CE1 . PHE A 1 216 ? 19.253 -0.507 -1.849 1.00 86.78 216 A 1 ATOM 1747 C CE2 . PHE A 1 216 ? 16.929 -0.034 -2.409 1.00 86.14 216 A 1 ATOM 1748 C CZ . PHE A 1 216 ? 18.296 0.282 -2.507 1.00 85.18 216 A 1 ATOM 1749 N N . LEU A 1 217 ? 18.977 -5.111 -1.674 1.00 93.37 217 A 1 ATOM 1750 C CA . LEU A 1 217 ? 20.095 -5.424 -2.571 1.00 93.79 217 A 1 ATOM 1751 C C . LEU A 1 217 ? 19.705 -6.491 -3.607 1.00 94.50 217 A 1 ATOM 1752 O O . LEU A 1 217 ? 20.046 -6.364 -4.782 1.00 94.52 217 A 1 ATOM 1753 C CB . LEU A 1 217 ? 21.306 -5.892 -1.747 1.00 93.63 217 A 1 ATOM 1754 C CG . LEU A 1 217 ? 21.979 -4.797 -0.894 1.00 91.82 217 A 1 ATOM 1755 C CD1 . LEU A 1 217 ? 23.061 -5.434 -0.022 1.00 90.30 217 A 1 ATOM 1756 C CD2 . LEU A 1 217 ? 22.627 -3.708 -1.747 1.00 90.09 217 A 1 ATOM 1757 N N . ARG A 1 218 ? 18.954 -7.513 -3.195 1.00 95.56 218 A 1 ATOM 1758 C CA . ARG A 1 218 ? 18.418 -8.535 -4.105 1.00 95.54 218 A 1 ATOM 1759 C C . ARG A 1 218 ? 17.463 -7.925 -5.126 1.00 96.10 218 A 1 ATOM 1760 O O . ARG A 1 218 ? 17.609 -8.211 -6.310 1.00 95.71 218 A 1 ATOM 1761 C CB . ARG A 1 218 ? 17.702 -9.628 -3.312 1.00 94.82 218 A 1 ATOM 1762 C CG . ARG A 1 218 ? 18.690 -10.565 -2.612 1.00 86.95 218 A 1 ATOM 1763 C CD . ARG A 1 218 ? 17.904 -11.473 -1.666 1.00 83.28 218 A 1 ATOM 1764 N NE . ARG A 1 218 ? 18.748 -12.500 -1.041 1.00 77.95 218 A 1 ATOM 1765 C CZ . ARG A 1 218 ? 18.391 -13.259 -0.020 1.00 72.30 218 A 1 ATOM 1766 N NH1 . ARG A 1 218 ? 17.224 -13.141 0.553 1.00 66.48 218 A 1 ATOM 1767 N NH2 . ARG A 1 218 ? 19.210 -14.164 0.441 1.00 65.70 218 A 1 ATOM 1768 N N . LEU A 1 219 ? 16.540 -7.062 -4.686 1.00 95.23 219 A 1 ATOM 1769 C CA . LEU A 1 219 ? 15.600 -6.379 -5.571 1.00 95.62 219 A 1 ATOM 1770 C C . LEU A 1 219 ? 16.337 -5.566 -6.638 1.00 95.94 219 A 1 ATOM 1771 O O . LEU A 1 219 ? 16.045 -5.706 -7.824 1.00 95.42 219 A 1 ATOM 1772 C CB . LEU A 1 219 ? 14.670 -5.486 -4.730 1.00 95.50 219 A 1 ATOM 1773 C CG . LEU A 1 219 ? 13.671 -4.673 -5.576 1.00 95.00 219 A 1 ATOM 1774 C CD1 . LEU A 1 219 ? 12.703 -5.577 -6.341 1.00 93.85 219 A 1 ATOM 1775 C CD2 . LEU A 1 219 ? 12.868 -3.747 -4.671 1.00 93.69 219 A 1 ATOM 1776 N N . VAL A 1 220 ? 17.321 -4.767 -6.238 1.00 95.70 220 A 1 ATOM 1777 C CA . VAL A 1 220 ? 18.127 -3.965 -7.168 1.00 95.56 220 A 1 ATOM 1778 C C . VAL A 1 220 ? 18.897 -4.859 -8.147 1.00 95.87 220 A 1 ATOM 1779 O O . VAL A 1 220 ? 18.915 -4.582 -9.342 1.00 94.95 220 A 1 ATOM 1780 C CB . VAL A 1 220 ? 19.059 -3.025 -6.388 1.00 94.46 220 A 1 ATOM 1781 C CG1 . VAL A 1 220 ? 20.020 -2.292 -7.321 1.00 89.68 220 A 1 ATOM 1782 C CG2 . VAL A 1 220 ? 18.253 -1.947 -5.647 1.00 89.46 220 A 1 ATOM 1783 N N . ASN A 1 221 ? 19.456 -5.973 -7.684 1.00 95.80 221 A 1 ATOM 1784 C CA . ASN A 1 221 ? 20.211 -6.898 -8.536 1.00 95.32 221 A 1 ATOM 1785 C C . ASN A 1 221 ? 19.355 -7.644 -9.570 1.00 95.69 221 A 1 ATOM 1786 O O . ASN A 1 221 ? 19.885 -8.024 -10.610 1.00 94.34 221 A 1 ATOM 1787 C CB . ASN A 1 221 ? 20.971 -7.893 -7.644 1.00 93.94 221 A 1 ATOM 1788 C CG . ASN A 1 221 ? 22.204 -7.284 -6.996 1.00 86.35 221 A 1 ATOM 1789 O OD1 . ASN A 1 221 ? 22.781 -6.316 -7.452 1.00 78.52 221 A 1 ATOM 1790 N ND2 . ASN A 1 221 ? 22.689 -7.875 -5.929 1.00 76.59 221 A 1 ATOM 1791 N N . ILE A 1 222 ? 18.063 -7.860 -9.314 1.00 95.32 222 A 1 ATOM 1792 C CA . ILE A 1 222 ? 17.137 -8.512 -10.259 1.00 95.13 222 A 1 ATOM 1793 C C . ILE A 1 222 ? 16.284 -7.510 -11.047 1.00 95.47 222 A 1 ATOM 1794 O O . ILE A 1 222 ? 15.510 -7.916 -11.913 1.00 94.41 222 A 1 ATOM 1795 C CB . ILE A 1 222 ? 16.265 -9.582 -9.563 1.00 94.30 222 A 1 ATOM 1796 C CG1 . ILE A 1 222 ? 15.249 -8.933 -8.597 1.00 88.60 222 A 1 ATOM 1797 C CG2 . ILE A 1 222 ? 17.145 -10.648 -8.879 1.00 87.18 222 A 1 ATOM 1798 C CD1 . ILE A 1 222 ? 14.363 -9.926 -7.836 1.00 86.86 222 A 1 ATOM 1799 N N . THR A 1 223 ? 16.393 -6.212 -10.757 1.00 95.88 223 A 1 ATOM 1800 C CA . THR A 1 223 ? 15.669 -5.178 -11.501 1.00 95.79 223 A 1 ATOM 1801 C C . THR A 1 223 ? 16.274 -5.031 -12.892 1.00 95.77 223 A 1 ATOM 1802 O O . THR A 1 223 ? 17.461 -4.752 -13.030 1.00 94.84 223 A 1 ATOM 1803 C CB . THR A 1 223 ? 15.675 -3.833 -10.755 1.00 95.42 223 A 1 ATOM 1804 O OG1 . THR A 1 223 ? 14.956 -3.961 -9.551 1.00 92.76 223 A 1 ATOM 1805 C CG2 . THR A 1 223 ? 14.979 -2.716 -11.545 1.00 92.52 223 A 1 ATOM 1806 N N . LEU A 1 224 ? 15.449 -5.182 -13.930 1.00 96.46 224 A 1 ATOM 1807 C CA . LEU A 1 224 ? 15.817 -4.999 -15.332 1.00 95.96 224 A 1 ATOM 1808 C C . LEU A 1 224 ? 14.814 -4.057 -16.013 1.00 97.10 224 A 1 ATOM 1809 O O . LEU A 1 224 ? 13.635 -4.081 -15.659 1.00 96.37 224 A 1 ATOM 1810 C CB . LEU A 1 224 ? 15.869 -6.367 -16.039 1.00 93.21 224 A 1 ATOM 1811 C CG . LEU A 1 224 ? 16.965 -7.321 -15.524 1.00 84.40 224 A 1 ATOM 1812 C CD1 . LEU A 1 224 ? 16.812 -8.686 -16.195 1.00 78.93 224 A 1 ATOM 1813 C CD2 . LEU A 1 224 ? 18.374 -6.795 -15.819 1.00 79.57 224 A 1 ATOM 1814 N N . PRO A 1 225 ? 15.240 -3.234 -16.986 1.00 97.10 225 A 1 ATOM 1815 C CA . PRO A 1 225 ? 14.309 -2.445 -17.787 1.00 97.33 225 A 1 ATOM 1816 C C . PRO A 1 225 ? 13.359 -3.340 -18.609 1.00 97.63 225 A 1 ATOM 1817 O O . PRO A 1 225 ? 13.802 -4.356 -19.141 1.00 96.92 225 A 1 ATOM 1818 C CB . PRO A 1 225 ? 15.177 -1.562 -18.688 1.00 96.41 225 A 1 ATOM 1819 C CG . PRO A 1 225 ? 16.528 -1.530 -17.977 1.00 94.53 225 A 1 ATOM 1820 C CD . PRO A 1 225 ? 16.607 -2.906 -17.320 1.00 96.61 225 A 1 ATOM 1821 N N . PRO A 1 226 ? 12.088 -2.932 -18.791 1.00 98.04 226 A 1 ATOM 1822 C CA . PRO A 1 226 ? 11.493 -1.692 -18.304 1.00 98.29 226 A 1 ATOM 1823 C C . PRO A 1 226 ? 11.043 -1.761 -16.831 1.00 98.47 226 A 1 ATOM 1824 O O . PRO A 1 226 ? 10.449 -2.743 -16.390 1.00 98.09 226 A 1 ATOM 1825 C CB . PRO A 1 226 ? 10.314 -1.431 -19.243 1.00 97.80 226 A 1 ATOM 1826 C CG . PRO A 1 226 ? 9.872 -2.840 -19.646 1.00 96.30 226 A 1 ATOM 1827 C CD . PRO A 1 226 ? 11.176 -3.617 -19.699 1.00 97.87 226 A 1 ATOM 1828 N N . TYR A 1 227 ? 11.290 -0.685 -16.084 1.00 98.18 227 A 1 ATOM 1829 C CA . TYR A 1 227 ? 10.807 -0.563 -14.707 1.00 98.29 227 A 1 ATOM 1830 C C . TYR A 1 227 ? 10.364 0.860 -14.350 1.00 98.46 227 A 1 ATOM 1831 O O . TYR A 1 227 ? 10.804 1.848 -14.941 1.00 98.22 227 A 1 ATOM 1832 C CB . TYR A 1 227 ? 11.851 -1.084 -13.702 1.00 98.06 227 A 1 ATOM 1833 C CG . TYR A 1 227 ? 13.104 -0.234 -13.596 1.00 98.15 227 A 1 ATOM 1834 C CD1 . TYR A 1 227 ? 14.269 -0.612 -14.286 1.00 97.42 227 A 1 ATOM 1835 C CD2 . TYR A 1 227 ? 13.105 0.948 -12.826 1.00 97.40 227 A 1 ATOM 1836 C CE1 . TYR A 1 227 ? 15.417 0.194 -14.227 1.00 96.95 227 A 1 ATOM 1837 C CE2 . TYR A 1 227 ? 14.250 1.764 -12.772 1.00 96.95 227 A 1 ATOM 1838 C CZ . TYR A 1 227 ? 15.404 1.393 -13.481 1.00 97.25 227 A 1 ATOM 1839 O OH . TYR A 1 227 ? 16.500 2.193 -13.458 1.00 96.31 227 A 1 ATOM 1840 N N . ILE A 1 228 ? 9.513 0.952 -13.327 1.00 97.88 228 A 1 ATOM 1841 C CA . ILE A 1 228 ? 9.181 2.165 -12.577 1.00 97.77 228 A 1 ATOM 1842 C C . ILE A 1 228 ? 9.434 1.854 -11.103 1.00 97.36 228 A 1 ATOM 1843 O O . ILE A 1 228 ? 8.764 0.998 -10.533 1.00 96.65 228 A 1 ATOM 1844 C CB . ILE A 1 228 ? 7.719 2.594 -12.829 1.00 97.77 228 A 1 ATOM 1845 C CG1 . ILE A 1 228 ? 7.511 2.987 -14.308 1.00 97.01 228 A 1 ATOM 1846 C CG2 . ILE A 1 228 ? 7.337 3.764 -11.905 1.00 96.99 228 A 1 ATOM 1847 C CD1 . ILE A 1 228 ? 6.045 3.251 -14.691 1.00 95.60 228 A 1 ATOM 1848 N N . PHE A 1 229 ? 10.377 2.542 -10.495 1.00 97.16 229 A 1 ATOM 1849 C CA . PHE A 1 229 ? 10.803 2.328 -9.113 1.00 96.63 229 A 1 ATOM 1850 C C . PHE A 1 229 ? 10.437 3.541 -8.257 1.00 96.26 229 A 1 ATOM 1851 O O . PHE A 1 229 ? 10.911 4.651 -8.500 1.00 95.16 229 A 1 ATOM 1852 C CB . PHE A 1 229 ? 12.310 2.021 -9.085 1.00 95.76 229 A 1 ATOM 1853 C CG . PHE A 1 229 ? 12.784 1.246 -7.870 1.00 95.32 229 A 1 ATOM 1854 C CD1 . PHE A 1 229 ? 12.571 1.723 -6.567 1.00 92.78 229 A 1 ATOM 1855 C CD2 . PHE A 1 229 ? 13.449 0.017 -8.053 1.00 92.41 229 A 1 ATOM 1856 C CE1 . PHE A 1 229 ? 12.993 0.971 -5.456 1.00 91.04 229 A 1 ATOM 1857 C CE2 . PHE A 1 229 ? 13.877 -0.734 -6.942 1.00 90.77 229 A 1 ATOM 1858 C CZ . PHE A 1 229 ? 13.644 -0.259 -5.642 1.00 91.16 229 A 1 ATOM 1859 N N . PHE A 1 230 ? 9.604 3.339 -7.243 1.00 94.99 230 A 1 ATOM 1860 C CA . PHE A 1 230 ? 9.267 4.367 -6.263 1.00 94.29 230 A 1 ATOM 1861 C C . PHE A 1 230 ? 10.231 4.327 -5.076 1.00 92.91 230 A 1 ATOM 1862 O O . PHE A 1 230 ? 10.565 3.272 -4.547 1.00 90.72 230 A 1 ATOM 1863 C CB . PHE A 1 230 ? 7.814 4.230 -5.812 1.00 94.46 230 A 1 ATOM 1864 C CG . PHE A 1 230 ? 6.807 4.430 -6.926 1.00 95.12 230 A 1 ATOM 1865 C CD1 . PHE A 1 230 ? 6.323 5.720 -7.220 1.00 93.95 230 A 1 ATOM 1866 C CD2 . PHE A 1 230 ? 6.361 3.327 -7.678 1.00 94.05 230 A 1 ATOM 1867 C CE1 . PHE A 1 230 ? 5.388 5.902 -8.252 1.00 93.66 230 A 1 ATOM 1868 C CE2 . PHE A 1 230 ? 5.429 3.510 -8.713 1.00 93.91 230 A 1 ATOM 1869 C CZ . PHE A 1 230 ? 4.939 4.797 -9.001 1.00 94.69 230 A 1 ATOM 1870 N N . SER A 1 231 ? 10.664 5.499 -4.642 1.00 92.27 231 A 1 ATOM 1871 C CA . SER A 1 231 ? 11.527 5.645 -3.471 1.00 90.58 231 A 1 ATOM 1872 C C . SER A 1 231 ? 11.272 6.979 -2.772 1.00 89.61 231 A 1 ATOM 1873 O O . SER A 1 231 ? 10.546 7.838 -3.266 1.00 86.34 231 A 1 ATOM 1874 C CB . SER A 1 231 ? 12.993 5.501 -3.880 1.00 88.52 231 A 1 ATOM 1875 O OG . SER A 1 231 ? 13.417 6.632 -4.621 1.00 80.75 231 A 1 ATOM 1876 N N . SER A 1 232 ? 11.890 7.164 -1.617 1.00 85.81 232 A 1 ATOM 1877 C CA . SER A 1 232 ? 11.896 8.435 -0.889 1.00 83.13 232 A 1 ATOM 1878 C C . SER A 1 232 ? 13.322 8.780 -0.498 1.00 82.18 232 A 1 ATOM 1879 O O . SER A 1 232 ? 14.165 7.890 -0.371 1.00 77.83 232 A 1 ATOM 1880 C CB . SER A 1 232 ? 10.999 8.307 0.345 1.00 79.13 232 A 1 ATOM 1881 O OG . SER A 1 232 ? 10.947 9.501 1.106 1.00 69.65 232 A 1 ATOM 1882 N N . THR A 1 233 ? 13.604 10.051 -0.224 1.00 78.61 233 A 1 ATOM 1883 C CA . THR A 1 233 ? 14.880 10.475 0.390 1.00 75.25 233 A 1 ATOM 1884 C C . THR A 1 233 ? 15.218 9.723 1.680 1.00 75.56 233 A 1 ATOM 1885 O O . THR A 1 233 ? 16.381 9.632 2.054 1.00 70.83 233 A 1 ATOM 1886 C CB . THR A 1 233 ? 14.881 11.975 0.705 1.00 70.13 233 A 1 ATOM 1887 O OG1 . THR A 1 233 ? 13.697 12.353 1.366 1.00 64.84 233 A 1 ATOM 1888 C CG2 . THR A 1 233 ? 15.013 12.807 -0.559 1.00 63.35 233 A 1 ATOM 1889 N N . LYS A 1 234 ? 14.225 9.119 2.334 1.00 77.18 234 A 1 ATOM 1890 C CA . LYS A 1 234 ? 14.410 8.271 3.522 1.00 73.45 234 A 1 ATOM 1891 C C . LYS A 1 234 ? 15.117 6.941 3.241 1.00 73.81 234 A 1 ATOM 1892 O O . LYS A 1 234 ? 15.629 6.349 4.180 1.00 68.18 234 A 1 ATOM 1893 C CB . LYS A 1 234 ? 13.048 7.987 4.164 1.00 69.09 234 A 1 ATOM 1894 C CG . LYS A 1 234 ? 12.368 9.258 4.679 1.00 64.66 234 A 1 ATOM 1895 C CD . LYS A 1 234 ? 10.995 8.905 5.253 1.00 61.98 234 A 1 ATOM 1896 C CE . LYS A 1 234 ? 10.292 10.181 5.710 1.00 57.34 234 A 1 ATOM 1897 N NZ . LYS A 1 234 ? 8.904 9.888 6.133 1.00 51.74 234 A 1 ATOM 1898 N N . SER A 1 235 ? 15.107 6.448 2.000 1.00 75.80 235 A 1 ATOM 1899 C CA . SER A 1 235 ? 15.689 5.150 1.633 1.00 74.97 235 A 1 ATOM 1900 C C . SER A 1 235 ? 17.098 5.236 1.044 1.00 77.53 235 A 1 ATOM 1901 O O . SER A 1 235 ? 17.680 4.203 0.755 1.00 72.98 235 A 1 ATOM 1902 C CB . SER A 1 235 ? 14.763 4.402 0.663 1.00 69.39 235 A 1 ATOM 1903 O OG . SER A 1 235 ? 14.644 5.084 -0.570 1.00 62.15 235 A 1 ATOM 1904 N N . GLU A 1 236 ? 17.626 6.441 0.821 1.00 79.47 236 A 1 ATOM 1905 C CA . GLU A 1 236 ? 18.899 6.699 0.122 1.00 81.92 236 A 1 ATOM 1906 C C . GLU A 1 236 ? 19.028 6.029 -1.266 1.00 85.83 236 A 1 ATOM 1907 O O . GLU A 1 236 ? 20.101 6.025 -1.857 1.00 84.27 236 A 1 ATOM 1908 C CB . GLU A 1 236 ? 20.118 6.433 1.028 1.00 76.18 236 A 1 ATOM 1909 C CG . GLU A 1 236 ? 20.085 7.258 2.328 1.00 68.95 236 A 1 ATOM 1910 C CD . GLU A 1 236 ? 21.463 7.283 3.003 1.00 63.22 236 A 1 ATOM 1911 O OE1 . GLU A 1 236 ? 21.992 8.406 3.196 1.00 56.96 236 A 1 ATOM 1912 O OE2 . GLU A 1 236 ? 22.008 6.196 3.272 1.00 56.15 236 A 1 ATOM 1913 N N . PHE A 1 237 ? 17.929 5.523 -1.827 1.00 86.44 237 A 1 ATOM 1914 C CA . PHE A 1 237 ? 17.906 4.784 -3.094 1.00 88.05 237 A 1 ATOM 1915 C C . PHE A 1 237 ? 18.587 5.540 -4.242 1.00 90.01 237 A 1 ATOM 1916 O O . PHE A 1 237 ? 19.366 4.958 -4.980 1.00 90.02 237 A 1 ATOM 1917 C CB . PHE A 1 237 ? 16.456 4.476 -3.467 1.00 87.49 237 A 1 ATOM 1918 C CG . PHE A 1 237 ? 16.296 3.841 -4.839 1.00 88.31 237 A 1 ATOM 1919 C CD1 . PHE A 1 237 ? 15.744 4.573 -5.909 1.00 85.44 237 A 1 ATOM 1920 C CD2 . PHE A 1 237 ? 16.724 2.521 -5.054 1.00 85.01 237 A 1 ATOM 1921 C CE1 . PHE A 1 237 ? 15.605 3.980 -7.176 1.00 82.82 237 A 1 ATOM 1922 C CE2 . PHE A 1 237 ? 16.587 1.928 -6.320 1.00 82.80 237 A 1 ATOM 1923 C CZ . PHE A 1 237 ? 16.023 2.655 -7.379 1.00 83.47 237 A 1 ATOM 1924 N N . VAL A 1 238 ? 18.321 6.847 -4.380 1.00 89.62 238 A 1 ATOM 1925 C CA . VAL A 1 238 ? 18.908 7.665 -5.454 1.00 90.73 238 A 1 ATOM 1926 C C . VAL A 1 238 ? 20.432 7.687 -5.347 1.00 92.31 238 A 1 ATOM 1927 O O . VAL A 1 238 ? 21.106 7.400 -6.327 1.00 91.89 238 A 1 ATOM 1928 C CB . VAL A 1 238 ? 18.323 9.090 -5.459 1.00 89.48 238 A 1 ATOM 1929 C CG1 . VAL A 1 238 ? 18.971 9.982 -6.524 1.00 86.64 238 A 1 ATOM 1930 C CG2 . VAL A 1 238 ? 16.813 9.047 -5.740 1.00 86.18 238 A 1 ATOM 1931 N N . ARG A 1 239 ? 20.980 7.929 -4.157 1.00 91.87 239 A 1 ATOM 1932 C CA . ARG A 1 239 ? 22.436 7.893 -3.922 1.00 91.91 239 A 1 ATOM 1933 C C . ARG A 1 239 ? 23.017 6.503 -4.168 1.00 93.20 239 A 1 ATOM 1934 O O . ARG A 1 239 ? 24.128 6.382 -4.665 1.00 92.99 239 A 1 ATOM 1935 C CB . ARG A 1 239 ? 22.759 8.326 -2.487 1.00 90.02 239 A 1 ATOM 1936 C CG . ARG A 1 239 ? 22.437 9.803 -2.222 1.00 81.24 239 A 1 ATOM 1937 C CD . ARG A 1 239 ? 22.748 10.164 -0.758 1.00 77.88 239 A 1 ATOM 1938 N NE . ARG A 1 239 ? 24.184 10.043 -0.453 1.00 70.52 239 A 1 ATOM 1939 C CZ . ARG A 1 239 ? 24.724 9.806 0.733 1.00 64.56 239 A 1 ATOM 1940 N NH1 . ARG A 1 239 ? 24.010 9.679 1.813 1.00 60.22 239 A 1 ATOM 1941 N NH2 . ARG A 1 239 ? 26.020 9.685 0.843 1.00 56.08 239 A 1 ATOM 1942 N N . PHE A 1 240 ? 22.276 5.453 -3.820 1.00 92.21 240 A 1 ATOM 1943 C CA . PHE A 1 240 ? 22.707 4.080 -4.046 1.00 92.97 240 A 1 ATOM 1944 C C . PHE A 1 240 ? 22.827 3.750 -5.541 1.00 94.03 240 A 1 ATOM 1945 O O . PHE A 1 240 ? 23.836 3.193 -5.955 1.00 94.02 240 A 1 ATOM 1946 C CB . PHE A 1 240 ? 21.753 3.121 -3.323 1.00 92.65 240 A 1 ATOM 1947 C CG . PHE A 1 240 ? 22.186 1.678 -3.461 1.00 92.22 240 A 1 ATOM 1948 C CD1 . PHE A 1 240 ? 21.563 0.840 -4.403 1.00 90.25 240 A 1 ATOM 1949 C CD2 . PHE A 1 240 ? 23.257 1.190 -2.691 1.00 90.38 240 A 1 ATOM 1950 C CE1 . PHE A 1 240 ? 22.007 -0.484 -4.567 1.00 89.29 240 A 1 ATOM 1951 C CE2 . PHE A 1 240 ? 23.705 -0.129 -2.857 1.00 88.96 240 A 1 ATOM 1952 C CZ . PHE A 1 240 ? 23.079 -0.967 -3.798 1.00 88.36 240 A 1 ATOM 1953 N N . ILE A 1 241 ? 21.853 4.126 -6.367 1.00 93.60 241 A 1 ATOM 1954 C CA . ILE A 1 241 ? 21.952 3.893 -7.815 1.00 93.92 241 A 1 ATOM 1955 C C . ILE A 1 241 ? 23.022 4.774 -8.480 1.00 95.24 241 A 1 ATOM 1956 O O . ILE A 1 241 ? 23.663 4.318 -9.416 1.00 95.31 241 A 1 ATOM 1957 C CB . ILE A 1 241 ? 20.588 4.003 -8.538 1.00 92.41 241 A 1 ATOM 1958 C CG1 . ILE A 1 241 ? 19.985 5.419 -8.455 1.00 84.56 241 A 1 ATOM 1959 C CG2 . ILE A 1 241 ? 19.624 2.930 -7.994 1.00 82.50 241 A 1 ATOM 1960 C CD1 . ILE A 1 241 ? 18.751 5.645 -9.329 1.00 79.79 241 A 1 ATOM 1961 N N . GLU A 1 242 ? 23.250 5.997 -7.989 1.00 93.86 242 A 1 ATOM 1962 C CA . GLU A 1 242 ? 24.372 6.847 -8.424 1.00 93.65 242 A 1 ATOM 1963 C C . GLU A 1 242 ? 25.708 6.140 -8.157 1.00 94.59 242 A 1 ATOM 1964 O O . GLU A 1 242 ? 26.465 5.908 -9.097 1.00 94.30 242 A 1 ATOM 1965 C CB . GLU A 1 242 ? 24.305 8.224 -7.729 1.00 92.61 242 A 1 ATOM 1966 C CG . GLU A 1 242 ? 23.187 9.120 -8.298 1.00 88.25 242 A 1 ATOM 1967 C CD . GLU A 1 242 ? 22.847 10.371 -7.453 1.00 86.84 242 A 1 ATOM 1968 O OE1 . GLU A 1 242 ? 21.987 11.169 -7.913 1.00 78.82 242 A 1 ATOM 1969 O OE2 . GLU A 1 242 ? 23.358 10.515 -6.316 1.00 80.78 242 A 1 ATOM 1970 N N . TYR A 1 243 ? 25.937 5.665 -6.934 1.00 94.64 243 A 1 ATOM 1971 C CA . TYR A 1 243 ? 27.092 4.836 -6.581 1.00 95.03 243 A 1 ATOM 1972 C C . TYR A 1 243 ? 27.233 3.599 -7.485 1.00 96.11 243 A 1 ATOM 1973 O O . TYR A 1 243 ? 28.318 3.317 -7.983 1.00 95.93 243 A 1 ATOM 1974 C CB . TYR A 1 243 ? 26.971 4.421 -5.102 1.00 94.68 243 A 1 ATOM 1975 C CG . TYR A 1 243 ? 27.781 3.190 -4.728 1.00 93.61 243 A 1 ATOM 1976 C CD1 . TYR A 1 243 ? 27.139 1.947 -4.530 1.00 90.62 243 A 1 ATOM 1977 C CD2 . TYR A 1 243 ? 29.184 3.276 -4.658 1.00 91.42 243 A 1 ATOM 1978 C CE1 . TYR A 1 243 ? 27.900 0.794 -4.262 1.00 90.00 243 A 1 ATOM 1979 C CE2 . TYR A 1 243 ? 29.948 2.124 -4.393 1.00 89.77 243 A 1 ATOM 1980 C CZ . TYR A 1 243 ? 29.307 0.882 -4.198 1.00 90.50 243 A 1 ATOM 1981 O OH . TYR A 1 243 ? 30.048 -0.232 -3.956 1.00 89.44 243 A 1 ATOM 1982 N N . MET A 1 244 ? 26.134 2.877 -7.739 1.00 95.36 244 A 1 ATOM 1983 C CA . MET A 1 244 ? 26.185 1.710 -8.629 1.00 95.45 244 A 1 ATOM 1984 C C . MET A 1 244 ? 26.684 2.071 -10.026 1.00 96.47 244 A 1 ATOM 1985 O O . MET A 1 244 ? 27.477 1.329 -10.600 1.00 96.27 244 A 1 ATOM 1986 C CB . MET A 1 244 ? 24.803 1.064 -8.771 1.00 94.68 244 A 1 ATOM 1987 C CG . MET A 1 244 ? 24.351 0.293 -7.542 1.00 91.12 244 A 1 ATOM 1988 S SD . MET A 1 244 ? 22.729 -0.462 -7.776 1.00 90.62 244 A 1 ATOM 1989 C CE . MET A 1 244 ? 23.164 -1.818 -8.902 1.00 81.53 244 A 1 ATOM 1990 N N . VAL A 1 245 ? 26.206 3.185 -10.586 1.00 95.67 245 A 1 ATOM 1991 C CA . VAL A 1 245 ? 26.584 3.639 -11.931 1.00 95.87 245 A 1 ATOM 1992 C C . VAL A 1 245 ? 28.023 4.157 -11.963 1.00 96.51 245 A 1 ATOM 1993 O O . VAL A 1 245 ? 28.741 3.857 -12.918 1.00 96.00 245 A 1 ATOM 1994 C CB . VAL A 1 245 ? 25.582 4.693 -12.443 1.00 95.62 245 A 1 ATOM 1995 C CG1 . VAL A 1 245 ? 26.023 5.342 -13.762 1.00 92.92 245 A 1 ATOM 1996 C CG2 . VAL A 1 245 ? 24.215 4.040 -12.707 1.00 92.69 245 A 1 ATOM 1997 N N . ASP A 1 246 ? 28.454 4.896 -10.942 1.00 96.48 246 A 1 ATOM 1998 C CA . ASP A 1 246 ? 29.800 5.474 -10.855 1.00 96.46 246 A 1 ATOM 1999 C C . ASP A 1 246 ? 30.871 4.388 -10.678 1.00 96.90 246 A 1 ATOM 2000 O O . ASP A 1 246 ? 31.836 4.330 -11.443 1.00 95.58 246 A 1 ATOM 2001 C CB . ASP A 1 246 ? 29.845 6.508 -9.714 1.00 95.77 246 A 1 ATOM 2002 C CG . ASP A 1 246 ? 29.079 7.811 -10.018 1.00 92.96 246 A 1 ATOM 2003 O OD1 . ASP A 1 246 ? 28.728 8.042 -11.204 1.00 88.44 246 A 1 ATOM 2004 O OD2 . ASP A 1 246 ? 28.904 8.608 -9.067 1.00 88.95 246 A 1 ATOM 2005 N N . ASP A 1 247 ? 30.645 3.464 -9.745 1.00 96.70 247 A 1 ATOM 2006 C CA . ASP A 1 247 ? 31.594 2.396 -9.404 1.00 96.70 247 A 1 ATOM 2007 C C . ASP A 1 247 ? 31.432 1.135 -10.275 1.00 96.85 247 A 1 ATOM 2008 O O . ASP A 1 247 ? 32.176 0.160 -10.116 1.00 95.18 247 A 1 ATOM 2009 C CB . ASP A 1 247 ? 31.502 2.069 -7.905 1.00 96.41 247 A 1 ATOM 2010 C CG . ASP A 1 247 ? 32.146 3.117 -6.979 1.00 94.72 247 A 1 ATOM 2011 O OD1 . ASP A 1 247 ? 32.358 4.273 -7.402 1.00 88.93 247 A 1 ATOM 2012 O OD2 . ASP A 1 247 ? 32.463 2.732 -5.830 1.00 88.75 247 A 1 ATOM 2013 N N . LYS A 1 248 ? 30.470 1.136 -11.219 1.00 96.41 248 A 1 ATOM 2014 C CA . LYS A 1 248 ? 30.194 0.009 -12.126 1.00 96.25 248 A 1 ATOM 2015 C C . LYS A 1 248 ? 29.988 -1.326 -11.397 1.00 96.28 248 A 1 ATOM 2016 O O . LYS A 1 248 ? 30.429 -2.379 -11.870 1.00 93.79 248 A 1 ATOM 2017 C CB . LYS A 1 248 ? 31.255 -0.069 -13.246 1.00 95.71 248 A 1 ATOM 2018 C CG . LYS A 1 248 ? 31.432 1.219 -14.064 1.00 93.29 248 A 1 ATOM 2019 C CD . LYS A 1 248 ? 30.144 1.628 -14.785 1.00 87.60 248 A 1 ATOM 2020 C CE . LYS A 1 248 ? 30.336 2.915 -15.579 1.00 84.48 248 A 1 ATOM 2021 N NZ . LYS A 1 248 ? 29.027 3.536 -15.908 1.00 73.10 248 A 1 ATOM 2022 N N . VAL A 1 249 ? 29.321 -1.295 -10.247 1.00 95.21 249 A 1 ATOM 2023 C CA . VAL A 1 249 ? 29.006 -2.502 -9.472 1.00 93.96 249 A 1 ATOM 2024 C C . VAL A 1 249 ? 27.931 -3.349 -10.168 1.00 94.68 249 A 1 ATOM 2025 O O . VAL A 1 249 ? 27.364 -2.959 -11.188 1.00 92.17 249 A 1 ATOM 2026 C CB . VAL A 1 249 ? 28.658 -2.186 -8.001 1.00 91.52 249 A 1 ATOM 2027 C CG1 . VAL A 1 249 ? 29.793 -1.426 -7.316 1.00 87.02 249 A 1 ATOM 2028 C CG2 . VAL A 1 249 ? 27.362 -1.409 -7.839 1.00 87.63 249 A 1 ATOM 2029 N N . HIS A 1 250 ? 27.663 -4.544 -9.642 1.00 95.15 250 A 1 ATOM 2030 C CA . HIS A 1 250 ? 26.738 -5.491 -10.269 1.00 94.70 250 A 1 ATOM 2031 C C . HIS A 1 250 ? 25.395 -4.841 -10.641 1.00 94.88 250 A 1 ATOM 2032 O O . HIS A 1 250 ? 24.813 -4.106 -9.848 1.00 92.93 250 A 1 ATOM 2033 C CB . HIS A 1 250 ? 26.533 -6.699 -9.346 1.00 93.22 250 A 1 ATOM 2034 C CG . HIS A 1 250 ? 25.696 -7.776 -9.996 1.00 90.98 250 A 1 ATOM 2035 N ND1 . HIS A 1 250 ? 26.113 -8.633 -10.989 1.00 80.31 250 A 1 ATOM 2036 C CD2 . HIS A 1 250 ? 24.377 -8.052 -9.744 1.00 78.74 250 A 1 ATOM 2037 C CE1 . HIS A 1 250 ? 25.067 -9.407 -11.327 1.00 78.23 250 A 1 ATOM 2038 N NE2 . HIS A 1 250 ? 23.993 -9.089 -10.599 1.00 80.25 250 A 1 ATOM 2039 N N . ASN A 1 251 ? 24.913 -5.120 -11.851 1.00 94.59 251 A 1 ATOM 2040 C CA . ASN A 1 251 ? 23.663 -4.614 -12.425 1.00 95.12 251 A 1 ATOM 2041 C C . ASN A 1 251 ? 23.578 -3.082 -12.637 1.00 96.19 251 A 1 ATOM 2042 O O . ASN A 1 251 ? 22.498 -2.554 -12.889 1.00 95.13 251 A 1 ATOM 2043 C CB . ASN A 1 251 ? 22.467 -5.203 -11.650 1.00 93.76 251 A 1 ATOM 2044 C CG . ASN A 1 251 ? 21.182 -5.197 -12.449 1.00 93.29 251 A 1 ATOM 2045 O OD1 . ASN A 1 251 ? 21.184 -5.422 -13.650 1.00 89.09 251 A 1 ATOM 2046 N ND2 . ASN A 1 251 ? 20.060 -4.974 -11.813 1.00 88.13 251 A 1 ATOM 2047 N N . TRP A 1 252 ? 24.707 -2.341 -12.617 1.00 96.37 252 A 1 ATOM 2048 C CA . TRP A 1 252 ? 24.708 -0.880 -12.823 1.00 96.87 252 A 1 ATOM 2049 C C . TRP A 1 252 ? 24.055 -0.446 -14.149 1.00 97.19 252 A 1 ATOM 2050 O O . TRP A 1 252 ? 23.413 0.603 -14.211 1.00 96.92 252 A 1 ATOM 2051 C CB . TRP A 1 252 ? 26.137 -0.350 -12.746 1.00 96.97 252 A 1 ATOM 2052 C CG . TRP A 1 252 ? 27.040 -0.741 -13.882 1.00 97.04 252 A 1 ATOM 2053 C CD1 . TRP A 1 252 ? 27.858 -1.810 -13.903 1.00 95.83 252 A 1 ATOM 2054 C CD2 . TRP A 1 252 ? 27.214 -0.080 -15.171 1.00 96.67 252 A 1 ATOM 2055 N NE1 . TRP A 1 252 ? 28.526 -1.864 -15.113 1.00 95.12 252 A 1 ATOM 2056 C CE2 . TRP A 1 252 ? 28.162 -0.826 -15.939 1.00 96.05 252 A 1 ATOM 2057 C CE3 . TRP A 1 252 ? 26.668 1.066 -15.773 1.00 95.23 252 A 1 ATOM 2058 C CZ2 . TRP A 1 252 ? 28.539 -0.456 -17.240 1.00 94.76 252 A 1 ATOM 2059 C CZ3 . TRP A 1 252 ? 27.038 1.452 -17.079 1.00 94.34 252 A 1 ATOM 2060 C CH2 . TRP A 1 252 ? 27.968 0.690 -17.809 1.00 93.42 252 A 1 ATOM 2061 N N . GLN A 1 253 ? 24.153 -1.264 -15.202 1.00 97.52 253 A 1 ATOM 2062 C CA . GLN A 1 253 ? 23.593 -0.965 -16.518 1.00 97.36 253 A 1 ATOM 2063 C C . GLN A 1 253 ? 22.067 -0.829 -16.488 1.00 97.70 253 A 1 ATOM 2064 O O . GLN A 1 253 ? 21.500 -0.095 -17.300 1.00 97.27 253 A 1 ATOM 2065 C CB . GLN A 1 253 ? 23.953 -2.056 -17.538 1.00 96.78 253 A 1 ATOM 2066 C CG . GLN A 1 253 ? 25.459 -2.274 -17.777 1.00 92.54 253 A 1 ATOM 2067 C CD . GLN A 1 253 ? 26.084 -3.303 -16.848 1.00 88.76 253 A 1 ATOM 2068 O OE1 . GLN A 1 253 ? 25.598 -3.605 -15.772 1.00 81.75 253 A 1 ATOM 2069 N NE2 . GLN A 1 253 ? 27.188 -3.898 -17.231 1.00 78.40 253 A 1 ATOM 2070 N N . ALA A 1 254 ? 21.394 -1.505 -15.553 1.00 96.91 254 A 1 ATOM 2071 C CA . ALA A 1 254 ? 19.949 -1.378 -15.383 1.00 96.93 254 A 1 ATOM 2072 C C . ALA A 1 254 ? 19.552 0.057 -15.002 1.00 97.40 254 A 1 ATOM 2073 O O . ALA A 1 254 ? 18.498 0.520 -15.423 1.00 96.77 254 A 1 ATOM 2074 C CB . ALA A 1 254 ? 19.474 -2.390 -14.336 1.00 96.51 254 A 1 ATOM 2075 N N . PHE A 1 255 ? 20.411 0.778 -14.292 1.00 97.55 255 A 1 ATOM 2076 C CA . PHE A 1 255 ? 20.141 2.122 -13.765 1.00 97.39 255 A 1 ATOM 2077 C C . PHE A 1 255 ? 20.837 3.247 -14.538 1.00 97.49 255 A 1 ATOM 2078 O O . PHE A 1 255 ? 20.466 4.412 -14.391 1.00 96.67 255 A 1 ATOM 2079 C CB . PHE A 1 255 ? 20.492 2.139 -12.273 1.00 96.90 255 A 1 ATOM 2080 C CG . PHE A 1 255 ? 19.676 1.143 -11.469 1.00 96.71 255 A 1 ATOM 2081 C CD1 . PHE A 1 255 ? 18.384 1.485 -11.026 1.00 95.56 255 A 1 ATOM 2082 C CD2 . PHE A 1 255 ? 20.176 -0.148 -11.219 1.00 95.79 255 A 1 ATOM 2083 C CE1 . PHE A 1 255 ? 17.596 0.546 -10.340 1.00 94.81 255 A 1 ATOM 2084 C CE2 . PHE A 1 255 ? 19.384 -1.092 -10.535 1.00 94.86 255 A 1 ATOM 2085 C CZ . PHE A 1 255 ? 18.095 -0.744 -10.099 1.00 94.78 255 A 1 ATOM 2086 N N . GLU A 1 256 ? 21.799 2.938 -15.412 1.00 97.20 256 A 1 ATOM 2087 C CA . GLU A 1 256 ? 22.444 3.936 -16.267 1.00 97.16 256 A 1 ATOM 2088 C C . GLU A 1 256 ? 21.408 4.651 -17.141 1.00 97.34 256 A 1 ATOM 2089 O O . GLU A 1 256 ? 20.587 4.017 -17.804 1.00 96.60 256 A 1 ATOM 2090 C CB . GLU A 1 256 ? 23.522 3.271 -17.127 1.00 96.23 256 A 1 ATOM 2091 C CG . GLU A 1 256 ? 24.299 4.297 -17.965 1.00 92.56 256 A 1 ATOM 2092 C CD . GLU A 1 256 ? 25.389 3.621 -18.800 1.00 91.55 256 A 1 ATOM 2093 O OE1 . GLU A 1 256 ? 26.565 4.011 -18.637 1.00 82.63 256 A 1 ATOM 2094 O OE2 . GLU A 1 256 ? 25.045 2.699 -19.572 1.00 84.90 256 A 1 ATOM 2095 N N . ASN A 1 257 ? 21.452 5.990 -17.168 1.00 96.79 257 A 1 ATOM 2096 C CA . ASN A 1 257 ? 20.503 6.848 -17.887 1.00 96.70 257 A 1 ATOM 2097 C C . ASN A 1 257 ? 19.030 6.703 -17.453 1.00 97.11 257 A 1 ATOM 2098 O O . ASN A 1 257 ? 18.129 7.122 -18.187 1.00 96.04 257 A 1 ATOM 2099 C CB . ASN A 1 257 ? 20.701 6.696 -19.409 1.00 96.03 257 A 1 ATOM 2100 C CG . ASN A 1 257 ? 22.137 6.942 -19.828 1.00 93.92 257 A 1 ATOM 2101 O OD1 . ASN A 1 257 ? 22.698 7.982 -19.551 1.00 86.97 257 A 1 ATOM 2102 N ND2 . ASN A 1 257 ? 22.767 6.007 -20.499 1.00 86.32 257 A 1 ATOM 2103 N N . ALA A 1 258 ? 18.759 6.142 -16.270 1.00 96.95 258 A 1 ATOM 2104 C CA . ALA A 1 258 ? 17.419 6.153 -15.698 1.00 96.91 258 A 1 ATOM 2105 C C . ALA A 1 258 ? 16.926 7.598 -15.500 1.00 97.06 258 A 1 ATOM 2106 O O . ALA A 1 258 ? 17.666 8.492 -15.083 1.00 96.30 258 A 1 ATOM 2107 C CB . ALA A 1 258 ? 17.403 5.356 -14.389 1.00 96.51 258 A 1 ATOM 2108 N N . LYS A 1 259 ? 15.647 7.833 -15.803 1.00 97.21 259 A 1 ATOM 2109 C CA . LYS A 1 259 ? 15.000 9.135 -15.608 1.00 97.00 259 A 1 ATOM 2110 C C . LYS A 1 259 ? 14.396 9.208 -14.213 1.00 96.92 259 A 1 ATOM 2111 O O . LYS A 1 259 ? 13.958 8.201 -13.669 1.00 96.13 259 A 1 ATOM 2112 C CB . LYS A 1 259 ? 13.944 9.375 -16.689 1.00 96.94 259 A 1 ATOM 2113 C CG . LYS A 1 259 ? 14.532 9.438 -18.108 1.00 94.75 259 A 1 ATOM 2114 C CD . LYS A 1 259 ? 13.398 9.681 -19.109 1.00 90.10 259 A 1 ATOM 2115 C CE . LYS A 1 259 ? 13.903 9.669 -20.549 1.00 83.56 259 A 1 ATOM 2116 N NZ . LYS A 1 259 ? 12.772 9.784 -21.508 1.00 73.56 259 A 1 ATOM 2117 N N . ARG A 1 260 ? 14.323 10.423 -13.656 1.00 96.15 260 A 1 ATOM 2118 C CA . ARG A 1 260 ? 13.772 10.666 -12.315 1.00 95.65 260 A 1 ATOM 2119 C C . ARG A 1 260 ? 12.711 11.758 -12.349 1.00 95.70 260 A 1 ATOM 2120 O O . ARG A 1 260 ? 12.925 12.824 -12.919 1.00 94.39 260 A 1 ATOM 2121 C CB . ARG A 1 260 ? 14.928 10.984 -11.347 1.00 93.84 260 A 1 ATOM 2122 C CG . ARG A 1 260 ? 14.454 11.167 -9.895 1.00 90.65 260 A 1 ATOM 2123 C CD . ARG A 1 260 ? 15.622 11.435 -8.934 1.00 88.52 260 A 1 ATOM 2124 N NE . ARG A 1 260 ? 16.243 12.763 -9.156 1.00 82.26 260 A 1 ATOM 2125 C CZ . ARG A 1 260 ? 17.216 13.300 -8.425 1.00 81.92 260 A 1 ATOM 2126 N NH1 . ARG A 1 260 ? 17.731 12.686 -7.401 1.00 74.61 260 A 1 ATOM 2127 N NH2 . ARG A 1 260 ? 17.700 14.476 -8.711 1.00 72.41 260 A 1 ATOM 2128 N N . ILE A 1 261 ? 11.595 11.505 -11.676 1.00 94.67 261 A 1 ATOM 2129 C CA . ILE A 1 261 ? 10.561 12.488 -11.339 1.00 94.30 261 A 1 ATOM 2130 C C . ILE A 1 261 ? 10.527 12.610 -9.818 1.00 93.97 261 A 1 ATOM 2131 O O . ILE A 1 261 ? 10.362 11.614 -9.116 1.00 92.74 261 A 1 ATOM 2132 C CB . ILE A 1 261 ? 9.190 12.075 -11.919 1.00 94.62 261 A 1 ATOM 2133 C CG1 . ILE A 1 261 ? 9.253 11.977 -13.464 1.00 93.71 261 A 1 ATOM 2134 C CG2 . ILE A 1 261 ? 8.105 13.074 -11.472 1.00 93.29 261 A 1 ATOM 2135 C CD1 . ILE A 1 261 ? 7.985 11.405 -14.112 1.00 90.60 261 A 1 ATOM 2136 N N . THR A 1 262 ? 10.653 13.836 -9.318 1.00 92.87 262 A 1 ATOM 2137 C CA . THR A 1 262 ? 10.638 14.127 -7.880 1.00 92.04 262 A 1 ATOM 2138 C C . THR A 1 262 ? 9.347 14.851 -7.505 1.00 92.06 262 A 1 ATOM 2139 O O . THR A 1 262 ? 8.958 15.823 -8.154 1.00 90.79 262 A 1 ATOM 2140 C CB . THR A 1 262 ? 11.868 14.948 -7.469 1.00 90.37 262 A 1 ATOM 2141 O OG1 . THR A 1 262 ? 13.050 14.261 -7.831 1.00 84.45 262 A 1 ATOM 2142 C CG2 . THR A 1 262 ? 11.934 15.182 -5.965 1.00 83.99 262 A 1 ATOM 2143 N N . VAL A 1 263 ? 8.691 14.394 -6.442 1.00 90.82 263 A 1 ATOM 2144 C CA . VAL A 1 263 ? 7.500 15.021 -5.861 1.00 89.65 263 A 1 ATOM 2145 C C . VAL A 1 263 ? 7.807 15.419 -4.424 1.00 88.98 263 A 1 ATOM 2146 O O . VAL A 1 263 ? 8.123 14.585 -3.579 1.00 86.81 263 A 1 ATOM 2147 C CB . VAL A 1 263 ? 6.267 14.099 -5.956 1.00 88.75 263 A 1 ATOM 2148 C CG1 . VAL A 1 263 ? 5.031 14.729 -5.297 1.00 84.83 263 A 1 ATOM 2149 C CG2 . VAL A 1 263 ? 5.911 13.813 -7.424 1.00 84.71 263 A 1 ATOM 2150 N N . ASN A 1 264 ? 7.673 16.717 -4.134 1.00 87.72 264 A 1 ATOM 2151 C CA . ASN A 1 264 ? 7.822 17.222 -2.772 1.00 85.71 264 A 1 ATOM 2152 C C . ASN A 1 264 ? 6.574 16.896 -1.948 1.00 84.58 264 A 1 ATOM 2153 O O . ASN A 1 264 ? 5.480 17.395 -2.231 1.00 80.96 264 A 1 ATOM 2154 C CB . ASN A 1 264 ? 8.100 18.730 -2.821 1.00 84.04 264 A 1 ATOM 2155 C CG . ASN A 1 264 ? 9.499 19.006 -3.335 1.00 79.16 264 A 1 ATOM 2156 O OD1 . ASN A 1 264 ? 10.465 18.525 -2.792 1.00 72.65 264 A 1 ATOM 2157 N ND2 . ASN A 1 264 ? 9.669 19.775 -4.384 1.00 72.26 264 A 1 ATOM 2158 N N . ALA A 1 265 ? 6.740 16.090 -0.904 1.00 81.47 265 A 1 ATOM 2159 C CA . ALA A 1 265 ? 5.697 15.743 0.047 1.00 79.09 265 A 1 ATOM 2160 C C . ALA A 1 265 ? 5.967 16.422 1.399 1.00 80.19 265 A 1 ATOM 2161 O O . ALA A 1 265 ? 7.099 16.515 1.868 1.00 76.60 265 A 1 ATOM 2162 C CB . ALA A 1 265 ? 5.600 14.217 0.137 1.00 75.42 265 A 1 ATOM 2163 N N . LYS A 1 266 ? 4.903 16.899 2.048 1.00 75.54 266 A 1 ATOM 2164 C CA . LYS A 1 266 ? 4.971 17.459 3.406 1.00 74.49 266 A 1 ATOM 2165 C C . LYS A 1 266 ? 4.259 16.515 4.366 1.00 73.52 266 A 1 ATOM 2166 O O . LYS A 1 266 ? 3.073 16.245 4.194 1.00 69.81 266 A 1 ATOM 2167 C CB . LYS A 1 266 ? 4.386 18.882 3.453 1.00 71.73 266 A 1 ATOM 2168 C CG . LYS A 1 266 ? 5.250 19.896 2.683 1.00 66.05 266 A 1 ATOM 2169 C CD . LYS A 1 266 ? 4.715 21.327 2.856 1.00 63.94 266 A 1 ATOM 2170 C CE . LYS A 1 266 ? 5.603 22.318 2.094 1.00 57.51 266 A 1 ATOM 2171 N NZ . LYS A 1 266 ? 5.161 23.727 2.283 1.00 49.55 266 A 1 ATOM 2172 N N . LEU A 1 267 ? 4.974 16.042 5.377 1.00 70.68 267 A 1 ATOM 2173 C CA . LEU A 1 267 ? 4.375 15.242 6.451 1.00 68.90 267 A 1 ATOM 2174 C C . LEU A 1 267 ? 3.622 16.140 7.444 1.00 69.76 267 A 1 ATOM 2175 O O . LEU A 1 267 ? 2.552 15.789 7.925 1.00 64.35 267 A 1 ATOM 2176 C CB . LEU A 1 267 ? 5.495 14.439 7.152 1.00 65.06 267 A 1 ATOM 2177 C CG . LEU A 1 267 ? 4.970 13.336 8.093 1.00 60.52 267 A 1 ATOM 2178 C CD1 . LEU A 1 267 ? 4.399 12.155 7.304 1.00 59.09 267 A 1 ATOM 2179 C CD2 . LEU A 1 267 ? 6.114 12.810 8.963 1.00 58.36 267 A 1 ATOM 2180 N N . ASN A 1 268 ? 4.192 17.311 7.721 1.00 71.33 268 A 1 ATOM 2181 C CA . ASN A 1 268 ? 3.596 18.400 8.501 1.00 72.94 268 A 1 ATOM 2182 C C . ASN A 1 268 ? 4.271 19.735 8.122 1.00 75.62 268 A 1 ATOM 2183 O O . ASN A 1 268 ? 5.083 19.784 7.192 1.00 72.74 268 A 1 ATOM 2184 C CB . ASN A 1 268 ? 3.695 18.044 10.006 1.00 68.48 268 A 1 ATOM 2185 C CG . ASN A 1 268 ? 5.118 17.865 10.514 1.00 63.83 268 A 1 ATOM 2186 O OD1 . ASN A 1 268 ? 6.021 18.585 10.150 1.00 61.66 268 A 1 ATOM 2187 N ND2 . ASN A 1 268 ? 5.349 16.924 11.400 1.00 60.45 268 A 1 ATOM 2188 N N . TYR A 1 269 ? 3.946 20.830 8.831 1.00 70.73 269 A 1 ATOM 2189 C CA . TYR A 1 269 ? 4.522 22.155 8.546 1.00 72.79 269 A 1 ATOM 2190 C C . TYR A 1 269 ? 6.063 22.203 8.647 1.00 74.60 269 A 1 ATOM 2191 O O . TYR A 1 269 ? 6.697 23.011 7.978 1.00 70.16 269 A 1 ATOM 2192 C CB . TYR A 1 269 ? 3.870 23.175 9.493 1.00 69.57 269 A 1 ATOM 2193 C CG . TYR A 1 269 ? 4.255 24.616 9.209 1.00 63.51 269 A 1 ATOM 2194 C CD1 . TYR A 1 269 ? 5.244 25.255 9.987 1.00 59.69 269 A 1 ATOM 2195 C CD2 . TYR A 1 269 ? 3.634 25.315 8.152 1.00 57.75 269 A 1 ATOM 2196 C CE1 . TYR A 1 269 ? 5.612 26.588 9.707 1.00 50.06 269 A 1 ATOM 2197 C CE2 . TYR A 1 269 ? 4.005 26.649 7.866 1.00 52.89 269 A 1 ATOM 2198 C CZ . TYR A 1 269 ? 4.995 27.286 8.647 1.00 53.02 269 A 1 ATOM 2199 O OH . TYR A 1 269 ? 5.356 28.569 8.374 1.00 52.06 269 A 1 ATOM 2200 N N . GLN A 1 270 ? 6.669 21.324 9.455 1.00 74.92 270 A 1 ATOM 2201 C CA . GLN A 1 270 ? 8.107 21.311 9.764 1.00 76.34 270 A 1 ATOM 2202 C C . GLN A 1 270 ? 8.897 20.233 9.009 1.00 77.29 270 A 1 ATOM 2203 O O . GLN A 1 270 ? 10.117 20.329 8.919 1.00 73.49 270 A 1 ATOM 2204 C CB . GLN A 1 270 ? 8.282 21.117 11.279 1.00 74.62 270 A 1 ATOM 2205 C CG . GLN A 1 270 ? 7.766 22.309 12.103 1.00 69.10 270 A 1 ATOM 2206 C CD . GLN A 1 270 ? 7.869 22.087 13.608 1.00 62.30 270 A 1 ATOM 2207 O OE1 . GLN A 1 270 ? 8.060 20.988 14.102 1.00 59.17 270 A 1 ATOM 2208 N NE2 . GLN A 1 270 ? 7.714 23.119 14.407 1.00 56.13 270 A 1 ATOM 2209 N N . VAL A 1 271 ? 8.239 19.196 8.493 1.00 75.18 271 A 1 ATOM 2210 C CA . VAL A 1 271 ? 8.895 18.035 7.879 1.00 75.63 271 A 1 ATOM 2211 C C . VAL A 1 271 ? 8.426 17.879 6.434 1.00 76.57 271 A 1 ATOM 2212 O O . VAL A 1 271 ? 7.315 17.412 6.170 1.00 73.14 271 A 1 ATOM 2213 C CB . VAL A 1 271 ? 8.676 16.749 8.704 1.00 72.32 271 A 1 ATOM 2214 C CG1 . VAL A 1 271 ? 9.454 15.571 8.105 1.00 66.46 271 A 1 ATOM 2215 C CG2 . VAL A 1 271 ? 9.142 16.922 10.160 1.00 69.39 271 A 1 ATOM 2216 N N . ALA A 1 272 ? 9.314 18.258 5.513 1.00 78.60 272 A 1 ATOM 2217 C CA . ALA A 1 272 ? 9.205 17.958 4.094 1.00 79.28 272 A 1 ATOM 2218 C C . ALA A 1 272 ? 10.154 16.803 3.737 1.00 80.09 272 A 1 ATOM 2219 O O . ALA A 1 272 ? 11.211 16.648 4.350 1.00 77.13 272 A 1 ATOM 2220 C CB . ALA A 1 272 ? 9.483 19.229 3.278 1.00 76.76 272 A 1 ATOM 2221 N N . TYR A 1 273 ? 9.772 15.994 2.763 1.00 78.69 273 A 1 ATOM 2222 C CA . TYR A 1 273 ? 10.608 14.953 2.177 1.00 79.24 273 A 1 ATOM 2223 C C . TYR A 1 273 ? 10.298 14.842 0.684 1.00 81.21 273 A 1 ATOM 2224 O O . TYR A 1 273 ? 9.231 15.253 0.226 1.00 80.08 273 A 1 ATOM 2225 C CB . TYR A 1 273 ? 10.411 13.618 2.913 1.00 76.03 273 A 1 ATOM 2226 C CG . TYR A 1 273 ? 9.028 12.999 2.795 1.00 72.73 273 A 1 ATOM 2227 C CD1 . TYR A 1 273 ? 7.978 13.448 3.620 1.00 70.11 273 A 1 ATOM 2228 C CD2 . TYR A 1 273 ? 8.797 11.978 1.856 1.00 68.73 273 A 1 ATOM 2229 C CE1 . TYR A 1 273 ? 6.694 12.879 3.506 1.00 64.16 273 A 1 ATOM 2230 C CE2 . TYR A 1 273 ? 7.513 11.405 1.737 1.00 65.23 273 A 1 ATOM 2231 C CZ . TYR A 1 273 ? 6.460 11.858 2.561 1.00 64.86 273 A 1 ATOM 2232 O OH . TYR A 1 273 ? 5.222 11.320 2.436 1.00 62.46 273 A 1 ATOM 2233 N N . GLU A 1 274 ? 11.245 14.308 -0.066 1.00 83.68 274 A 1 ATOM 2234 C CA . GLU A 1 274 ? 11.083 14.068 -1.493 1.00 84.28 274 A 1 ATOM 2235 C C . GLU A 1 274 ? 10.741 12.604 -1.722 1.00 84.80 274 A 1 ATOM 2236 O O . GLU A 1 274 ? 11.464 11.710 -1.269 1.00 82.00 274 A 1 ATOM 2237 C CB . GLU A 1 274 ? 12.351 14.450 -2.255 1.00 81.66 274 A 1 ATOM 2238 C CG . GLU A 1 274 ? 12.681 15.945 -2.143 1.00 73.23 274 A 1 ATOM 2239 C CD . GLU A 1 274 ? 13.959 16.327 -2.899 1.00 73.43 274 A 1 ATOM 2240 O OE1 . GLU A 1 274 ? 14.242 17.546 -2.931 1.00 66.59 274 A 1 ATOM 2241 O OE2 . GLU A 1 274 ? 14.647 15.419 -3.429 1.00 68.55 274 A 1 ATOM 2242 N N . ASP A 1 275 ? 9.657 12.360 -2.431 1.00 88.30 275 A 1 ATOM 2243 C CA . ASP A 1 275 ? 9.381 11.065 -3.025 1.00 88.31 275 A 1 ATOM 2244 C C . ASP A 1 275 ? 9.845 11.092 -4.483 1.00 90.10 275 A 1 ATOM 2245 O O . ASP A 1 275 ? 9.693 12.096 -5.185 1.00 89.51 275 A 1 ATOM 2246 C CB . ASP A 1 275 ? 7.893 10.716 -2.894 1.00 85.77 275 A 1 ATOM 2247 C CG . ASP A 1 275 ? 7.464 10.199 -1.513 1.00 82.32 275 A 1 ATOM 2248 O OD1 . ASP A 1 275 ? 8.305 9.682 -0.747 1.00 78.90 275 A 1 ATOM 2249 O OD2 . ASP A 1 275 ? 6.247 10.267 -1.219 1.00 77.76 275 A 1 ATOM 2250 N N . ASN A 1 276 ? 10.413 9.988 -4.939 1.00 92.37 276 A 1 ATOM 2251 C CA . ASN A 1 276 ? 10.995 9.852 -6.264 1.00 92.55 276 A 1 ATOM 2252 C C . ASN A 1 276 ? 10.334 8.706 -7.022 1.00 93.52 276 A 1 ATOM 2253 O O . ASN A 1 276 ? 10.081 7.639 -6.465 1.00 92.71 276 A 1 ATOM 2254 C CB . ASN A 1 276 ? 12.516 9.653 -6.145 1.00 90.99 276 A 1 ATOM 2255 C CG . ASN A 1 276 ? 13.207 10.850 -5.515 1.00 88.79 276 A 1 ATOM 2256 O OD1 . ASN A 1 276 ? 13.446 11.853 -6.162 1.00 82.36 276 A 1 ATOM 2257 N ND2 . ASN A 1 276 ? 13.535 10.784 -4.247 1.00 81.38 276 A 1 ATOM 2258 N N . LEU A 1 277 ? 10.112 8.925 -8.309 1.00 94.22 277 A 1 ATOM 2259 C CA . LEU A 1 277 ? 9.792 7.906 -9.293 1.00 94.91 277 A 1 ATOM 2260 C C . LEU A 1 277 ? 10.980 7.835 -10.254 1.00 95.20 277 A 1 ATOM 2261 O O . LEU A 1 277 ? 11.231 8.785 -10.994 1.00 94.46 277 A 1 ATOM 2262 C CB . LEU A 1 277 ? 8.445 8.271 -9.941 1.00 94.72 277 A 1 ATOM 2263 C CG . LEU A 1 277 ? 7.911 7.264 -10.979 1.00 94.24 277 A 1 ATOM 2264 C CD1 . LEU A 1 277 ? 6.430 7.556 -11.253 1.00 90.30 277 A 1 ATOM 2265 C CD2 . LEU A 1 277 ? 8.627 7.340 -12.335 1.00 89.78 277 A 1 ATOM 2266 N N . VAL A 1 278 ? 11.717 6.731 -10.215 1.00 95.80 278 A 1 ATOM 2267 C CA . VAL A 1 278 ? 12.842 6.449 -11.118 1.00 95.99 278 A 1 ATOM 2268 C C . VAL A 1 278 ? 12.377 5.424 -12.142 1.00 96.77 278 A 1 ATOM 2269 O O . VAL A 1 278 ? 11.729 4.451 -11.782 1.00 96.69 278 A 1 ATOM 2270 C CB . VAL A 1 278 ? 14.076 5.962 -10.335 1.00 95.34 278 A 1 ATOM 2271 C CG1 . VAL A 1 278 ? 15.256 5.685 -11.270 1.00 93.83 278 A 1 ATOM 2272 C CG2 . VAL A 1 278 ? 14.522 7.013 -9.307 1.00 93.87 278 A 1 ATOM 2273 N N . TYR A 1 279 ? 12.672 5.629 -13.414 1.00 97.06 279 A 1 ATOM 2274 C CA . TYR A 1 279 ? 12.207 4.720 -14.461 1.00 97.64 279 A 1 ATOM 2275 C C . TYR A 1 279 ? 13.181 4.606 -15.628 1.00 97.81 279 A 1 ATOM 2276 O O . TYR A 1 279 ? 13.932 5.531 -15.937 1.00 97.60 279 A 1 ATOM 2277 C CB . TYR A 1 279 ? 10.810 5.134 -14.942 1.00 97.71 279 A 1 ATOM 2278 C CG . TYR A 1 279 ? 10.750 6.428 -15.735 1.00 97.94 279 A 1 ATOM 2279 C CD1 . TYR A 1 279 ? 10.789 7.675 -15.076 1.00 97.18 279 A 1 ATOM 2280 C CD2 . TYR A 1 279 ? 10.624 6.384 -17.135 1.00 97.33 279 A 1 ATOM 2281 C CE1 . TYR A 1 279 ? 10.681 8.869 -15.810 1.00 96.93 279 A 1 ATOM 2282 C CE2 . TYR A 1 279 ? 10.514 7.579 -17.874 1.00 96.97 279 A 1 ATOM 2283 C CZ . TYR A 1 279 ? 10.534 8.824 -17.212 1.00 97.06 279 A 1 ATOM 2284 O OH . TYR A 1 279 ? 10.397 9.973 -17.921 1.00 96.15 279 A 1 ATOM 2285 N N . LYS A 1 280 ? 13.119 3.455 -16.305 1.00 98.07 280 A 1 ATOM 2286 C CA . LYS A 1 280 ? 13.867 3.179 -17.536 1.00 98.18 280 A 1 ATOM 2287 C C . LYS A 1 280 ? 13.069 2.206 -18.400 1.00 98.32 280 A 1 ATOM 2288 O O . LYS A 1 280 ? 12.545 1.222 -17.888 1.00 97.83 280 A 1 ATOM 2289 C CB . LYS A 1 280 ? 15.254 2.641 -17.166 1.00 97.68 280 A 1 ATOM 2290 C CG . LYS A 1 280 ? 16.160 2.422 -18.381 1.00 96.94 280 A 1 ATOM 2291 C CD . LYS A 1 280 ? 17.564 2.030 -17.907 1.00 95.88 280 A 1 ATOM 2292 C CE . LYS A 1 280 ? 18.497 1.758 -19.083 1.00 92.93 280 A 1 ATOM 2293 N NZ . LYS A 1 280 ? 19.857 1.421 -18.597 1.00 90.09 280 A 1 ATOM 2294 N N . PHE A 1 281 ? 12.973 2.513 -19.696 1.00 97.91 281 A 1 ATOM 2295 C CA . PHE A 1 281 ? 12.314 1.695 -20.716 1.00 97.56 281 A 1 ATOM 2296 C C . PHE A 1 281 ? 13.303 1.347 -21.826 1.00 96.76 281 A 1 ATOM 2297 O O . PHE A 1 281 ? 14.201 2.168 -22.094 1.00 93.09 281 A 1 ATOM 2298 C CB . PHE A 1 281 ? 11.083 2.420 -21.267 1.00 97.12 281 A 1 ATOM 2299 C CG . PHE A 1 281 ? 9.865 2.379 -20.361 1.00 97.65 281 A 1 ATOM 2300 C CD1 . PHE A 1 281 ? 8.809 1.485 -20.645 1.00 96.82 281 A 1 ATOM 2301 C CD2 . PHE A 1 281 ? 9.771 3.231 -19.250 1.00 97.03 281 A 1 ATOM 2302 C CE1 . PHE A 1 281 ? 7.668 1.450 -19.824 1.00 96.41 281 A 1 ATOM 2303 C CE2 . PHE A 1 281 ? 8.631 3.192 -18.427 1.00 96.98 281 A 1 ATOM 2304 C CZ . PHE A 1 281 ? 7.576 2.303 -18.715 1.00 97.14 281 A 1 ATOM 2305 O OXT . PHE A 1 281 ? 13.103 0.233 -22.394 1.00 95.89 281 A 1 #