data_ma-t3vr3-240 _entry.id ma-t3vr3-240 _entry.ma_collection_id ma-t3vr3 _struct.entry_id ma-t3vr3-240 _struct.pdbx_model_details ;Predicted interaction between HLA class I histocompatibility antigen, A alpha chain (residue 1 - 365) and Beta-2-microglobulin [Cleaved into: Beta-2-microglobulin form pI 5.3] (residue 1 - 119). Model generated using AlphaFold2 with a 200 residue separation between the chains starting from a paired Multiple Sequence Alignment(pMSA). ; _struct.pdbx_structure_determination_methodology computational _struct.title 'Predicted interaction between HLA-A (1-365) and B2M (1-119)' _audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/ba728c4/archive/mmcif_ma-v1.4.5.dic _audit_conform.dict_name mmcif_ma.dic _audit_conform.dict_version 1.4.5 loop_ _citation.id _citation.title _citation.journal_abbrev _citation.journal_volume _citation.page_first _citation.page_last _citation.year _citation.pdbx_database_id_PubMed _citation.pdbx_database_id_DOI primary 'Computed cancer interactome explains the effects of somatic mutations in cancers.' 'Protein Sci' 31 e4479 . 2022 36261849 10.1002/pro.4479 2 'Highly accurate protein structure prediction with AlphaFold.' Nature 596 583 589 2021 34265844 10.1038/s41586-021-03819-2 loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Zhang, J.' 1 primary 'Pei, J.' 2 primary 'Durham, J.' 3 primary 'Bos, T.' 4 primary 'Cong, Q.' 5 2 'Jumper, J.' 6 2 'Evans, R.' 7 2 'Pritzel, A.' 8 2 'Green, T.' 9 2 'Figurnov, M.' 10 2 'Ronneberger, O.' 11 2 'Tunyasuvunakool, K.' 12 2 'Bates, R.' 13 2 'Zidek, A.' 14 2 'Potapenko, A.' 15 2 'Bridgland, A.' 16 2 'Meyer, C.' 17 2 'Kohl, S.A.A.' 18 2 'Ballard, A.J.' 19 2 'Cowie, A.' 20 2 'Romera-Paredes, B.' 21 2 'Nikolov, S.' 22 2 'Jain, R.' 23 2 'Adler, J.' 24 2 'Back, T.' 25 2 'Petersen, S.' 26 2 'Reiman, D.' 27 2 'Clancy, E.' 28 2 'Zielinski, M.' 29 2 'Steinegger, M.' 30 2 'Pacholska, M.' 31 2 'Berghammer, T.' 32 2 'Bodenstein, S.' 33 2 'Silver, D.' 34 2 'Vinyals, O.' 35 2 'Senior, A.W.' 36 2 'Kavukcuoglu, K.' 37 2 'Kohli, P.' 38 2 'Hassabis, D.' 39 loop_ _software.pdbx_ordinal _software.name _software.classification _software.description _software.version _software.type _software.location _software.citation_id 1 AlphaFold 'model building' 'Structure prediction' 2.0.0 package https://github.com/deepmind/alphafold 2 loop_ _ma_software_group.ordinal_id _ma_software_group.group_id _ma_software_group.software_id _ma_software_group.parameter_group_id 1 1 1 . loop_ _audit_author.name _audit_author.pdbx_ordinal 'Zhang, J.' 1 'Pei, J.' 2 'Durham, J.' 3 'Bos, T.' 4 'Cong, Q.' 5 loop_ _chem_comp.id _chem_comp.type _chem_comp.name _chem_comp.formula _chem_comp.formula_weight _chem_comp.ma_provenance ALA 'L-peptide linking' ALANINE 'C3 H7 N O2' 89.094 'CCD Core' ARG 'L-peptide linking' ARGININE 'C6 H15 N4 O2 1' 175.212 'CCD Core' ASN 'L-peptide linking' ASPARAGINE 'C4 H8 N2 O3' 132.119 'CCD Core' ASP 'L-peptide linking' 'ASPARTIC ACID' 'C4 H7 N O4' 133.103 'CCD Core' CYS 'L-peptide linking' CYSTEINE 'C3 H7 N O2 S' 121.154 'CCD Core' GLN 'L-peptide linking' GLUTAMINE 'C5 H10 N2 O3' 146.146 'CCD Core' GLU 'L-peptide linking' 'GLUTAMIC ACID' 'C5 H9 N O4' 147.130 'CCD Core' GLY 'peptide linking' GLYCINE 'C2 H5 N O2' 75.067 'CCD Core' HIS 'L-peptide linking' HISTIDINE 'C6 H10 N3 O2 1' 156.165 'CCD Core' ILE 'L-peptide linking' ISOLEUCINE 'C6 H13 N O2' 131.175 'CCD Core' LEU 'L-peptide linking' LEUCINE 'C6 H13 N O2' 131.175 'CCD Core' LYS 'L-peptide linking' LYSINE 'C6 H15 N2 O2 1' 147.198 'CCD Core' MET 'L-peptide linking' METHIONINE 'C5 H11 N O2 S' 149.208 'CCD Core' PHE 'L-peptide linking' PHENYLALANINE 'C9 H11 N O2' 165.192 'CCD Core' PRO 'L-peptide linking' PROLINE 'C5 H9 N O2' 115.132 'CCD Core' SER 'L-peptide linking' SERINE 'C3 H7 N O3' 105.093 'CCD Core' THR 'L-peptide linking' THREONINE 'C4 H9 N O3' 119.120 'CCD Core' TRP 'L-peptide linking' TRYPTOPHAN 'C11 H12 N2 O2' 204.229 'CCD Core' TYR 'L-peptide linking' TYROSINE 'C9 H11 N O3' 181.191 'CCD Core' VAL 'L-peptide linking' VALINE 'C5 H11 N O2' 117.148 'CCD Core' loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.details 1 polymer nat 'Homo sapiens (Human) HLA-A (P04439; 1 - 365)' 47446.669 1 . 2 polymer nat 'Homo sapiens (Human) B2M (P61769; 1 - 119)' 15858.511 1 . loop_ _entity_src_nat.entity_id _entity_src_nat.pdbx_src_id _entity_src_nat.pdbx_ncbi_taxonomy_id _entity_src_nat.pdbx_organism_scientific _entity_src_nat.common_name _entity_src_nat.strain 1 1 9606 'Homo sapiens (Human)' . . 2 2 9606 'Homo sapiens (Human)' . . loop_ _ma_target_ref_db_details.target_entity_id _ma_target_ref_db_details.db_name _ma_target_ref_db_details.db_name_other_details _ma_target_ref_db_details.db_code _ma_target_ref_db_details.db_accession _ma_target_ref_db_details.seq_db_isoform _ma_target_ref_db_details.seq_db_align_begin _ma_target_ref_db_details.seq_db_align_end _ma_target_ref_db_details.ncbi_taxonomy_id _ma_target_ref_db_details.organism_scientific _ma_target_ref_db_details.seq_db_sequence_version_date _ma_target_ref_db_details.seq_db_sequence_checksum 1 UNP . HLAA_HUMAN P04439 . 1 365 9606 'Homo sapiens (Human)' 2003-08-22 DEDFCEC4450E0580 2 UNP . B2MG_HUMAN P61769 . 1 119 9606 'Homo sapiens (Human)' 1986-07-21 AFD2DBEF07DCEF27 loop_ _entity_poly.entity_id _entity_poly.type _entity_poly.nstd_linkage _entity_poly.nstd_monomer _entity_poly.pdbx_strand_id _entity_poly.pdbx_seq_one_letter_code _entity_poly.pdbx_seq_one_letter_code_can 1 polypeptide(L) no no A ;MAVMAPRTLLLLLSGALALTQTWAGSHSMRYFFTSVSRPGRGEPRFIAVGYVDDTQFVRFDSDAASQRME PRAPWIEQEGPEYWDQETRNVKAQSQTDRVDLGTLRGYYNQSEAGSHTIQIMYGCDVGSDGRFLRGYRQD AYDGKDYIALNEDLRSWTAADMAAQITKRKWEAAHEAEQLRAYLDGTCVEWLRRYLENGKETLQRTDPPK THMTHHPISDHEATLRCWALGFYPAEITLTWQRDGEDQTQDTELVETRPAGDGTFQKWAAVVVPSGEEQR YTCHVQHEGLPKPLTLRWELSSQPTIPIVGIIAGLVLLGAVITGAVVAAVMWRRKSSDRKGGSYTQAASS DSAQGSDVSLTACKV ; ;MAVMAPRTLLLLLSGALALTQTWAGSHSMRYFFTSVSRPGRGEPRFIAVGYVDDTQFVRFDSDAASQRME PRAPWIEQEGPEYWDQETRNVKAQSQTDRVDLGTLRGYYNQSEAGSHTIQIMYGCDVGSDGRFLRGYRQD AYDGKDYIALNEDLRSWTAADMAAQITKRKWEAAHEAEQLRAYLDGTCVEWLRRYLENGKETLQRTDPPK THMTHHPISDHEATLRCWALGFYPAEITLTWQRDGEDQTQDTELVETRPAGDGTFQKWAAVVVPSGEEQR YTCHVQHEGLPKPLTLRWELSSQPTIPIVGIIAGLVLLGAVITGAVVAAVMWRRKSSDRKGGSYTQAASS DSAQGSDVSLTACKV ; 2 polypeptide(L) no no B ;MSRSVALAVLALLSLSGLEAIQRTPKIQVYSRHPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVE HSDLSFSKDWSFYLLYYTEFTPTEKDEYACRVNHVTLSQPKIVKWDRDM ; ;MSRSVALAVLALLSLSGLEAIQRTPKIQVYSRHPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVE HSDLSFSKDWSFYLLYYTEFTPTEKDEYACRVNHVTLSQPKIVKWDRDM ; loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 MET . 1 2 ALA . 1 3 VAL . 1 4 MET . 1 5 ALA . 1 6 PRO . 1 7 ARG . 1 8 THR . 1 9 LEU . 1 10 LEU . 1 11 LEU . 1 12 LEU . 1 13 LEU . 1 14 SER . 1 15 GLY . 1 16 ALA . 1 17 LEU . 1 18 ALA . 1 19 LEU . 1 20 THR . 1 21 GLN . 1 22 THR . 1 23 TRP . 1 24 ALA . 1 25 GLY . 1 26 SER . 1 27 HIS . 1 28 SER . 1 29 MET . 1 30 ARG . 1 31 TYR . 1 32 PHE . 1 33 PHE . 1 34 THR . 1 35 SER . 1 36 VAL . 1 37 SER . 1 38 ARG . 1 39 PRO . 1 40 GLY . 1 41 ARG . 1 42 GLY . 1 43 GLU . 1 44 PRO . 1 45 ARG . 1 46 PHE . 1 47 ILE . 1 48 ALA . 1 49 VAL . 1 50 GLY . 1 51 TYR . 1 52 VAL . 1 53 ASP . 1 54 ASP . 1 55 THR . 1 56 GLN . 1 57 PHE . 1 58 VAL . 1 59 ARG . 1 60 PHE . 1 61 ASP . 1 62 SER . 1 63 ASP . 1 64 ALA . 1 65 ALA . 1 66 SER . 1 67 GLN . 1 68 ARG . 1 69 MET . 1 70 GLU . 1 71 PRO . 1 72 ARG . 1 73 ALA . 1 74 PRO . 1 75 TRP . 1 76 ILE . 1 77 GLU . 1 78 GLN . 1 79 GLU . 1 80 GLY . 1 81 PRO . 1 82 GLU . 1 83 TYR . 1 84 TRP . 1 85 ASP . 1 86 GLN . 1 87 GLU . 1 88 THR . 1 89 ARG . 1 90 ASN . 1 91 VAL . 1 92 LYS . 1 93 ALA . 1 94 GLN . 1 95 SER . 1 96 GLN . 1 97 THR . 1 98 ASP . 1 99 ARG . 1 100 VAL . 1 101 ASP . 1 102 LEU . 1 103 GLY . 1 104 THR . 1 105 LEU . 1 106 ARG . 1 107 GLY . 1 108 TYR . 1 109 TYR . 1 110 ASN . 1 111 GLN . 1 112 SER . 1 113 GLU . 1 114 ALA . 1 115 GLY . 1 116 SER . 1 117 HIS . 1 118 THR . 1 119 ILE . 1 120 GLN . 1 121 ILE . 1 122 MET . 1 123 TYR . 1 124 GLY . 1 125 CYS . 1 126 ASP . 1 127 VAL . 1 128 GLY . 1 129 SER . 1 130 ASP . 1 131 GLY . 1 132 ARG . 1 133 PHE . 1 134 LEU . 1 135 ARG . 1 136 GLY . 1 137 TYR . 1 138 ARG . 1 139 GLN . 1 140 ASP . 1 141 ALA . 1 142 TYR . 1 143 ASP . 1 144 GLY . 1 145 LYS . 1 146 ASP . 1 147 TYR . 1 148 ILE . 1 149 ALA . 1 150 LEU . 1 151 ASN . 1 152 GLU . 1 153 ASP . 1 154 LEU . 1 155 ARG . 1 156 SER . 1 157 TRP . 1 158 THR . 1 159 ALA . 1 160 ALA . 1 161 ASP . 1 162 MET . 1 163 ALA . 1 164 ALA . 1 165 GLN . 1 166 ILE . 1 167 THR . 1 168 LYS . 1 169 ARG . 1 170 LYS . 1 171 TRP . 1 172 GLU . 1 173 ALA . 1 174 ALA . 1 175 HIS . 1 176 GLU . 1 177 ALA . 1 178 GLU . 1 179 GLN . 1 180 LEU . 1 181 ARG . 1 182 ALA . 1 183 TYR . 1 184 LEU . 1 185 ASP . 1 186 GLY . 1 187 THR . 1 188 CYS . 1 189 VAL . 1 190 GLU . 1 191 TRP . 1 192 LEU . 1 193 ARG . 1 194 ARG . 1 195 TYR . 1 196 LEU . 1 197 GLU . 1 198 ASN . 1 199 GLY . 1 200 LYS . 1 201 GLU . 1 202 THR . 1 203 LEU . 1 204 GLN . 1 205 ARG . 1 206 THR . 1 207 ASP . 1 208 PRO . 1 209 PRO . 1 210 LYS . 1 211 THR . 1 212 HIS . 1 213 MET . 1 214 THR . 1 215 HIS . 1 216 HIS . 1 217 PRO . 1 218 ILE . 1 219 SER . 1 220 ASP . 1 221 HIS . 1 222 GLU . 1 223 ALA . 1 224 THR . 1 225 LEU . 1 226 ARG . 1 227 CYS . 1 228 TRP . 1 229 ALA . 1 230 LEU . 1 231 GLY . 1 232 PHE . 1 233 TYR . 1 234 PRO . 1 235 ALA . 1 236 GLU . 1 237 ILE . 1 238 THR . 1 239 LEU . 1 240 THR . 1 241 TRP . 1 242 GLN . 1 243 ARG . 1 244 ASP . 1 245 GLY . 1 246 GLU . 1 247 ASP . 1 248 GLN . 1 249 THR . 1 250 GLN . 1 251 ASP . 1 252 THR . 1 253 GLU . 1 254 LEU . 1 255 VAL . 1 256 GLU . 1 257 THR . 1 258 ARG . 1 259 PRO . 1 260 ALA . 1 261 GLY . 1 262 ASP . 1 263 GLY . 1 264 THR . 1 265 PHE . 1 266 GLN . 1 267 LYS . 1 268 TRP . 1 269 ALA . 1 270 ALA . 1 271 VAL . 1 272 VAL . 1 273 VAL . 1 274 PRO . 1 275 SER . 1 276 GLY . 1 277 GLU . 1 278 GLU . 1 279 GLN . 1 280 ARG . 1 281 TYR . 1 282 THR . 1 283 CYS . 1 284 HIS . 1 285 VAL . 1 286 GLN . 1 287 HIS . 1 288 GLU . 1 289 GLY . 1 290 LEU . 1 291 PRO . 1 292 LYS . 1 293 PRO . 1 294 LEU . 1 295 THR . 1 296 LEU . 1 297 ARG . 1 298 TRP . 1 299 GLU . 1 300 LEU . 1 301 SER . 1 302 SER . 1 303 GLN . 1 304 PRO . 1 305 THR . 1 306 ILE . 1 307 PRO . 1 308 ILE . 1 309 VAL . 1 310 GLY . 1 311 ILE . 1 312 ILE . 1 313 ALA . 1 314 GLY . 1 315 LEU . 1 316 VAL . 1 317 LEU . 1 318 LEU . 1 319 GLY . 1 320 ALA . 1 321 VAL . 1 322 ILE . 1 323 THR . 1 324 GLY . 1 325 ALA . 1 326 VAL . 1 327 VAL . 1 328 ALA . 1 329 ALA . 1 330 VAL . 1 331 MET . 1 332 TRP . 1 333 ARG . 1 334 ARG . 1 335 LYS . 1 336 SER . 1 337 SER . 1 338 ASP . 1 339 ARG . 1 340 LYS . 1 341 GLY . 1 342 GLY . 1 343 SER . 1 344 TYR . 1 345 THR . 1 346 GLN . 1 347 ALA . 1 348 ALA . 1 349 SER . 1 350 SER . 1 351 ASP . 1 352 SER . 1 353 ALA . 1 354 GLN . 1 355 GLY . 1 356 SER . 1 357 ASP . 1 358 VAL . 1 359 SER . 1 360 LEU . 1 361 THR . 1 362 ALA . 1 363 CYS . 1 364 LYS . 1 365 VAL . 2 1 MET . 2 2 SER . 2 3 ARG . 2 4 SER . 2 5 VAL . 2 6 ALA . 2 7 LEU . 2 8 ALA . 2 9 VAL . 2 10 LEU . 2 11 ALA . 2 12 LEU . 2 13 LEU . 2 14 SER . 2 15 LEU . 2 16 SER . 2 17 GLY . 2 18 LEU . 2 19 GLU . 2 20 ALA . 2 21 ILE . 2 22 GLN . 2 23 ARG . 2 24 THR . 2 25 PRO . 2 26 LYS . 2 27 ILE . 2 28 GLN . 2 29 VAL . 2 30 TYR . 2 31 SER . 2 32 ARG . 2 33 HIS . 2 34 PRO . 2 35 ALA . 2 36 GLU . 2 37 ASN . 2 38 GLY . 2 39 LYS . 2 40 SER . 2 41 ASN . 2 42 PHE . 2 43 LEU . 2 44 ASN . 2 45 CYS . 2 46 TYR . 2 47 VAL . 2 48 SER . 2 49 GLY . 2 50 PHE . 2 51 HIS . 2 52 PRO . 2 53 SER . 2 54 ASP . 2 55 ILE . 2 56 GLU . 2 57 VAL . 2 58 ASP . 2 59 LEU . 2 60 LEU . 2 61 LYS . 2 62 ASN . 2 63 GLY . 2 64 GLU . 2 65 ARG . 2 66 ILE . 2 67 GLU . 2 68 LYS . 2 69 VAL . 2 70 GLU . 2 71 HIS . 2 72 SER . 2 73 ASP . 2 74 LEU . 2 75 SER . 2 76 PHE . 2 77 SER . 2 78 LYS . 2 79 ASP . 2 80 TRP . 2 81 SER . 2 82 PHE . 2 83 TYR . 2 84 LEU . 2 85 LEU . 2 86 TYR . 2 87 TYR . 2 88 THR . 2 89 GLU . 2 90 PHE . 2 91 THR . 2 92 PRO . 2 93 THR . 2 94 GLU . 2 95 LYS . 2 96 ASP . 2 97 GLU . 2 98 TYR . 2 99 ALA . 2 100 CYS . 2 101 ARG . 2 102 VAL . 2 103 ASN . 2 104 HIS . 2 105 VAL . 2 106 THR . 2 107 LEU . 2 108 SER . 2 109 GLN . 2 110 PRO . 2 111 LYS . 2 112 ILE . 2 113 VAL . 2 114 LYS . 2 115 TRP . 2 116 ASP . 2 117 ARG . 2 118 ASP . 2 119 MET . loop_ _struct_asym.id _struct_asym.entity_id _struct_asym.details A 1 . B 2 . loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code A 1 1 MET 1 1 MET MET A . A 1 2 ALA 2 2 ALA ALA A . A 1 3 VAL 3 3 VAL VAL A . A 1 4 MET 4 4 MET MET A . A 1 5 ALA 5 5 ALA ALA A . A 1 6 PRO 6 6 PRO PRO A . A 1 7 ARG 7 7 ARG ARG A . A 1 8 THR 8 8 THR THR A . A 1 9 LEU 9 9 LEU LEU A . A 1 10 LEU 10 10 LEU LEU A . A 1 11 LEU 11 11 LEU LEU A . A 1 12 LEU 12 12 LEU LEU A . A 1 13 LEU 13 13 LEU LEU A . A 1 14 SER 14 14 SER SER A . A 1 15 GLY 15 15 GLY GLY A . A 1 16 ALA 16 16 ALA ALA A . A 1 17 LEU 17 17 LEU LEU A . A 1 18 ALA 18 18 ALA ALA A . A 1 19 LEU 19 19 LEU LEU A . A 1 20 THR 20 20 THR THR A . A 1 21 GLN 21 21 GLN GLN A . A 1 22 THR 22 22 THR THR A . A 1 23 TRP 23 23 TRP TRP A . A 1 24 ALA 24 24 ALA ALA A . A 1 25 GLY 25 25 GLY GLY A . A 1 26 SER 26 26 SER SER A . A 1 27 HIS 27 27 HIS HIS A . A 1 28 SER 28 28 SER SER A . A 1 29 MET 29 29 MET MET A . A 1 30 ARG 30 30 ARG ARG A . A 1 31 TYR 31 31 TYR TYR A . A 1 32 PHE 32 32 PHE PHE A . A 1 33 PHE 33 33 PHE PHE A . A 1 34 THR 34 34 THR THR A . A 1 35 SER 35 35 SER SER A . A 1 36 VAL 36 36 VAL VAL A . A 1 37 SER 37 37 SER SER A . A 1 38 ARG 38 38 ARG ARG A . A 1 39 PRO 39 39 PRO PRO A . A 1 40 GLY 40 40 GLY GLY A . A 1 41 ARG 41 41 ARG ARG A . A 1 42 GLY 42 42 GLY GLY A . A 1 43 GLU 43 43 GLU GLU A . A 1 44 PRO 44 44 PRO PRO A . A 1 45 ARG 45 45 ARG ARG A . A 1 46 PHE 46 46 PHE PHE A . A 1 47 ILE 47 47 ILE ILE A . A 1 48 ALA 48 48 ALA ALA A . A 1 49 VAL 49 49 VAL VAL A . A 1 50 GLY 50 50 GLY GLY A . A 1 51 TYR 51 51 TYR TYR A . A 1 52 VAL 52 52 VAL VAL A . A 1 53 ASP 53 53 ASP ASP A . A 1 54 ASP 54 54 ASP ASP A . A 1 55 THR 55 55 THR THR A . A 1 56 GLN 56 56 GLN GLN A . A 1 57 PHE 57 57 PHE PHE A . A 1 58 VAL 58 58 VAL VAL A . A 1 59 ARG 59 59 ARG ARG A . A 1 60 PHE 60 60 PHE PHE A . A 1 61 ASP 61 61 ASP ASP A . A 1 62 SER 62 62 SER SER A . A 1 63 ASP 63 63 ASP ASP A . A 1 64 ALA 64 64 ALA ALA A . A 1 65 ALA 65 65 ALA ALA A . A 1 66 SER 66 66 SER SER A . A 1 67 GLN 67 67 GLN GLN A . A 1 68 ARG 68 68 ARG ARG A . A 1 69 MET 69 69 MET MET A . A 1 70 GLU 70 70 GLU GLU A . A 1 71 PRO 71 71 PRO PRO A . A 1 72 ARG 72 72 ARG ARG A . A 1 73 ALA 73 73 ALA ALA A . A 1 74 PRO 74 74 PRO PRO A . A 1 75 TRP 75 75 TRP TRP A . A 1 76 ILE 76 76 ILE ILE A . A 1 77 GLU 77 77 GLU GLU A . A 1 78 GLN 78 78 GLN GLN A . A 1 79 GLU 79 79 GLU GLU A . A 1 80 GLY 80 80 GLY GLY A . A 1 81 PRO 81 81 PRO PRO A . A 1 82 GLU 82 82 GLU GLU A . A 1 83 TYR 83 83 TYR TYR A . A 1 84 TRP 84 84 TRP TRP A . A 1 85 ASP 85 85 ASP ASP A . A 1 86 GLN 86 86 GLN GLN A . A 1 87 GLU 87 87 GLU GLU A . A 1 88 THR 88 88 THR THR A . A 1 89 ARG 89 89 ARG ARG A . A 1 90 ASN 90 90 ASN ASN A . A 1 91 VAL 91 91 VAL VAL A . A 1 92 LYS 92 92 LYS LYS A . A 1 93 ALA 93 93 ALA ALA A . A 1 94 GLN 94 94 GLN GLN A . A 1 95 SER 95 95 SER SER A . A 1 96 GLN 96 96 GLN GLN A . A 1 97 THR 97 97 THR THR A . A 1 98 ASP 98 98 ASP ASP A . A 1 99 ARG 99 99 ARG ARG A . A 1 100 VAL 100 100 VAL VAL A . A 1 101 ASP 101 101 ASP ASP A . A 1 102 LEU 102 102 LEU LEU A . A 1 103 GLY 103 103 GLY GLY A . A 1 104 THR 104 104 THR THR A . A 1 105 LEU 105 105 LEU LEU A . A 1 106 ARG 106 106 ARG ARG A . A 1 107 GLY 107 107 GLY GLY A . A 1 108 TYR 108 108 TYR TYR A . A 1 109 TYR 109 109 TYR TYR A . A 1 110 ASN 110 110 ASN ASN A . A 1 111 GLN 111 111 GLN GLN A . A 1 112 SER 112 112 SER SER A . A 1 113 GLU 113 113 GLU GLU A . A 1 114 ALA 114 114 ALA ALA A . A 1 115 GLY 115 115 GLY GLY A . A 1 116 SER 116 116 SER SER A . A 1 117 HIS 117 117 HIS HIS A . A 1 118 THR 118 118 THR THR A . A 1 119 ILE 119 119 ILE ILE A . A 1 120 GLN 120 120 GLN GLN A . A 1 121 ILE 121 121 ILE ILE A . A 1 122 MET 122 122 MET MET A . A 1 123 TYR 123 123 TYR TYR A . A 1 124 GLY 124 124 GLY GLY A . A 1 125 CYS 125 125 CYS CYS A . A 1 126 ASP 126 126 ASP ASP A . A 1 127 VAL 127 127 VAL VAL A . A 1 128 GLY 128 128 GLY GLY A . A 1 129 SER 129 129 SER SER A . A 1 130 ASP 130 130 ASP ASP A . A 1 131 GLY 131 131 GLY GLY A . A 1 132 ARG 132 132 ARG ARG A . A 1 133 PHE 133 133 PHE PHE A . A 1 134 LEU 134 134 LEU LEU A . A 1 135 ARG 135 135 ARG ARG A . A 1 136 GLY 136 136 GLY GLY A . A 1 137 TYR 137 137 TYR TYR A . A 1 138 ARG 138 138 ARG ARG A . A 1 139 GLN 139 139 GLN GLN A . A 1 140 ASP 140 140 ASP ASP A . A 1 141 ALA 141 141 ALA ALA A . A 1 142 TYR 142 142 TYR TYR A . A 1 143 ASP 143 143 ASP ASP A . A 1 144 GLY 144 144 GLY GLY A . A 1 145 LYS 145 145 LYS LYS A . A 1 146 ASP 146 146 ASP ASP A . A 1 147 TYR 147 147 TYR TYR A . A 1 148 ILE 148 148 ILE ILE A . A 1 149 ALA 149 149 ALA ALA A . A 1 150 LEU 150 150 LEU LEU A . A 1 151 ASN 151 151 ASN ASN A . A 1 152 GLU 152 152 GLU GLU A . A 1 153 ASP 153 153 ASP ASP A . A 1 154 LEU 154 154 LEU LEU A . A 1 155 ARG 155 155 ARG ARG A . A 1 156 SER 156 156 SER SER A . A 1 157 TRP 157 157 TRP TRP A . A 1 158 THR 158 158 THR THR A . A 1 159 ALA 159 159 ALA ALA A . A 1 160 ALA 160 160 ALA ALA A . A 1 161 ASP 161 161 ASP ASP A . A 1 162 MET 162 162 MET MET A . A 1 163 ALA 163 163 ALA ALA A . A 1 164 ALA 164 164 ALA ALA A . A 1 165 GLN 165 165 GLN GLN A . A 1 166 ILE 166 166 ILE ILE A . A 1 167 THR 167 167 THR THR A . A 1 168 LYS 168 168 LYS LYS A . A 1 169 ARG 169 169 ARG ARG A . A 1 170 LYS 170 170 LYS LYS A . A 1 171 TRP 171 171 TRP TRP A . A 1 172 GLU 172 172 GLU GLU A . A 1 173 ALA 173 173 ALA ALA A . A 1 174 ALA 174 174 ALA ALA A . A 1 175 HIS 175 175 HIS HIS A . A 1 176 GLU 176 176 GLU GLU A . A 1 177 ALA 177 177 ALA ALA A . A 1 178 GLU 178 178 GLU GLU A . A 1 179 GLN 179 179 GLN GLN A . A 1 180 LEU 180 180 LEU LEU A . A 1 181 ARG 181 181 ARG ARG A . A 1 182 ALA 182 182 ALA ALA A . A 1 183 TYR 183 183 TYR TYR A . A 1 184 LEU 184 184 LEU LEU A . A 1 185 ASP 185 185 ASP ASP A . A 1 186 GLY 186 186 GLY GLY A . A 1 187 THR 187 187 THR THR A . A 1 188 CYS 188 188 CYS CYS A . A 1 189 VAL 189 189 VAL VAL A . A 1 190 GLU 190 190 GLU GLU A . A 1 191 TRP 191 191 TRP TRP A . A 1 192 LEU 192 192 LEU LEU A . A 1 193 ARG 193 193 ARG ARG A . A 1 194 ARG 194 194 ARG ARG A . A 1 195 TYR 195 195 TYR TYR A . A 1 196 LEU 196 196 LEU LEU A . A 1 197 GLU 197 197 GLU GLU A . A 1 198 ASN 198 198 ASN ASN A . A 1 199 GLY 199 199 GLY GLY A . A 1 200 LYS 200 200 LYS LYS A . A 1 201 GLU 201 201 GLU GLU A . A 1 202 THR 202 202 THR THR A . A 1 203 LEU 203 203 LEU LEU A . A 1 204 GLN 204 204 GLN GLN A . A 1 205 ARG 205 205 ARG ARG A . A 1 206 THR 206 206 THR THR A . A 1 207 ASP 207 207 ASP ASP A . A 1 208 PRO 208 208 PRO PRO A . A 1 209 PRO 209 209 PRO PRO A . A 1 210 LYS 210 210 LYS LYS A . A 1 211 THR 211 211 THR THR A . A 1 212 HIS 212 212 HIS HIS A . A 1 213 MET 213 213 MET MET A . A 1 214 THR 214 214 THR THR A . A 1 215 HIS 215 215 HIS HIS A . A 1 216 HIS 216 216 HIS HIS A . A 1 217 PRO 217 217 PRO PRO A . A 1 218 ILE 218 218 ILE ILE A . A 1 219 SER 219 219 SER SER A . A 1 220 ASP 220 220 ASP ASP A . A 1 221 HIS 221 221 HIS HIS A . A 1 222 GLU 222 222 GLU GLU A . A 1 223 ALA 223 223 ALA ALA A . A 1 224 THR 224 224 THR THR A . A 1 225 LEU 225 225 LEU LEU A . A 1 226 ARG 226 226 ARG ARG A . A 1 227 CYS 227 227 CYS CYS A . A 1 228 TRP 228 228 TRP TRP A . A 1 229 ALA 229 229 ALA ALA A . A 1 230 LEU 230 230 LEU LEU A . A 1 231 GLY 231 231 GLY GLY A . A 1 232 PHE 232 232 PHE PHE A . A 1 233 TYR 233 233 TYR TYR A . A 1 234 PRO 234 234 PRO PRO A . A 1 235 ALA 235 235 ALA ALA A . A 1 236 GLU 236 236 GLU GLU A . A 1 237 ILE 237 237 ILE ILE A . A 1 238 THR 238 238 THR THR A . A 1 239 LEU 239 239 LEU LEU A . A 1 240 THR 240 240 THR THR A . A 1 241 TRP 241 241 TRP TRP A . A 1 242 GLN 242 242 GLN GLN A . A 1 243 ARG 243 243 ARG ARG A . A 1 244 ASP 244 244 ASP ASP A . A 1 245 GLY 245 245 GLY GLY A . A 1 246 GLU 246 246 GLU GLU A . A 1 247 ASP 247 247 ASP ASP A . A 1 248 GLN 248 248 GLN GLN A . A 1 249 THR 249 249 THR THR A . A 1 250 GLN 250 250 GLN GLN A . A 1 251 ASP 251 251 ASP ASP A . A 1 252 THR 252 252 THR THR A . A 1 253 GLU 253 253 GLU GLU A . A 1 254 LEU 254 254 LEU LEU A . A 1 255 VAL 255 255 VAL VAL A . A 1 256 GLU 256 256 GLU GLU A . A 1 257 THR 257 257 THR THR A . A 1 258 ARG 258 258 ARG ARG A . A 1 259 PRO 259 259 PRO PRO A . A 1 260 ALA 260 260 ALA ALA A . A 1 261 GLY 261 261 GLY GLY A . A 1 262 ASP 262 262 ASP ASP A . A 1 263 GLY 263 263 GLY GLY A . A 1 264 THR 264 264 THR THR A . A 1 265 PHE 265 265 PHE PHE A . A 1 266 GLN 266 266 GLN GLN A . A 1 267 LYS 267 267 LYS LYS A . A 1 268 TRP 268 268 TRP TRP A . A 1 269 ALA 269 269 ALA ALA A . A 1 270 ALA 270 270 ALA ALA A . A 1 271 VAL 271 271 VAL VAL A . A 1 272 VAL 272 272 VAL VAL A . A 1 273 VAL 273 273 VAL VAL A . A 1 274 PRO 274 274 PRO PRO A . A 1 275 SER 275 275 SER SER A . A 1 276 GLY 276 276 GLY GLY A . A 1 277 GLU 277 277 GLU GLU A . A 1 278 GLU 278 278 GLU GLU A . A 1 279 GLN 279 279 GLN GLN A . A 1 280 ARG 280 280 ARG ARG A . A 1 281 TYR 281 281 TYR TYR A . A 1 282 THR 282 282 THR THR A . A 1 283 CYS 283 283 CYS CYS A . A 1 284 HIS 284 284 HIS HIS A . A 1 285 VAL 285 285 VAL VAL A . A 1 286 GLN 286 286 GLN GLN A . A 1 287 HIS 287 287 HIS HIS A . A 1 288 GLU 288 288 GLU GLU A . A 1 289 GLY 289 289 GLY GLY A . A 1 290 LEU 290 290 LEU LEU A . A 1 291 PRO 291 291 PRO PRO A . A 1 292 LYS 292 292 LYS LYS A . A 1 293 PRO 293 293 PRO PRO A . A 1 294 LEU 294 294 LEU LEU A . A 1 295 THR 295 295 THR THR A . A 1 296 LEU 296 296 LEU LEU A . A 1 297 ARG 297 297 ARG ARG A . A 1 298 TRP 298 298 TRP TRP A . A 1 299 GLU 299 299 GLU GLU A . A 1 300 LEU 300 300 LEU LEU A . A 1 301 SER 301 301 SER SER A . A 1 302 SER 302 302 SER SER A . A 1 303 GLN 303 303 GLN GLN A . A 1 304 PRO 304 304 PRO PRO A . A 1 305 THR 305 305 THR THR A . A 1 306 ILE 306 306 ILE ILE A . A 1 307 PRO 307 307 PRO PRO A . A 1 308 ILE 308 308 ILE ILE A . A 1 309 VAL 309 309 VAL VAL A . A 1 310 GLY 310 310 GLY GLY A . A 1 311 ILE 311 311 ILE ILE A . A 1 312 ILE 312 312 ILE ILE A . A 1 313 ALA 313 313 ALA ALA A . A 1 314 GLY 314 314 GLY GLY A . A 1 315 LEU 315 315 LEU LEU A . A 1 316 VAL 316 316 VAL VAL A . A 1 317 LEU 317 317 LEU LEU A . A 1 318 LEU 318 318 LEU LEU A . A 1 319 GLY 319 319 GLY GLY A . A 1 320 ALA 320 320 ALA ALA A . A 1 321 VAL 321 321 VAL VAL A . A 1 322 ILE 322 322 ILE ILE A . A 1 323 THR 323 323 THR THR A . A 1 324 GLY 324 324 GLY GLY A . A 1 325 ALA 325 325 ALA ALA A . A 1 326 VAL 326 326 VAL VAL A . A 1 327 VAL 327 327 VAL VAL A . A 1 328 ALA 328 328 ALA ALA A . A 1 329 ALA 329 329 ALA ALA A . A 1 330 VAL 330 330 VAL VAL A . A 1 331 MET 331 331 MET MET A . A 1 332 TRP 332 332 TRP TRP A . A 1 333 ARG 333 333 ARG ARG A . A 1 334 ARG 334 334 ARG ARG A . A 1 335 LYS 335 335 LYS LYS A . A 1 336 SER 336 336 SER SER A . A 1 337 SER 337 337 SER SER A . A 1 338 ASP 338 338 ASP ASP A . A 1 339 ARG 339 339 ARG ARG A . A 1 340 LYS 340 340 LYS LYS A . A 1 341 GLY 341 341 GLY GLY A . A 1 342 GLY 342 342 GLY GLY A . A 1 343 SER 343 343 SER SER A . A 1 344 TYR 344 344 TYR TYR A . A 1 345 THR 345 345 THR THR A . A 1 346 GLN 346 346 GLN GLN A . A 1 347 ALA 347 347 ALA ALA A . A 1 348 ALA 348 348 ALA ALA A . A 1 349 SER 349 349 SER SER A . A 1 350 SER 350 350 SER SER A . A 1 351 ASP 351 351 ASP ASP A . A 1 352 SER 352 352 SER SER A . A 1 353 ALA 353 353 ALA ALA A . A 1 354 GLN 354 354 GLN GLN A . A 1 355 GLY 355 355 GLY GLY A . A 1 356 SER 356 356 SER SER A . A 1 357 ASP 357 357 ASP ASP A . A 1 358 VAL 358 358 VAL VAL A . A 1 359 SER 359 359 SER SER A . A 1 360 LEU 360 360 LEU LEU A . A 1 361 THR 361 361 THR THR A . A 1 362 ALA 362 362 ALA ALA A . A 1 363 CYS 363 363 CYS CYS A . A 1 364 LYS 364 364 LYS LYS A . A 1 365 VAL 365 365 VAL VAL A . B 2 1 MET 1 1 MET MET B . B 2 2 SER 2 2 SER SER B . B 2 3 ARG 3 3 ARG ARG B . B 2 4 SER 4 4 SER SER B . B 2 5 VAL 5 5 VAL VAL B . B 2 6 ALA 6 6 ALA ALA B . B 2 7 LEU 7 7 LEU LEU B . B 2 8 ALA 8 8 ALA ALA B . B 2 9 VAL 9 9 VAL VAL B . B 2 10 LEU 10 10 LEU LEU B . B 2 11 ALA 11 11 ALA ALA B . B 2 12 LEU 12 12 LEU LEU B . B 2 13 LEU 13 13 LEU LEU B . B 2 14 SER 14 14 SER SER B . B 2 15 LEU 15 15 LEU LEU B . B 2 16 SER 16 16 SER SER B . B 2 17 GLY 17 17 GLY GLY B . B 2 18 LEU 18 18 LEU LEU B . B 2 19 GLU 19 19 GLU GLU B . B 2 20 ALA 20 20 ALA ALA B . B 2 21 ILE 21 21 ILE ILE B . B 2 22 GLN 22 22 GLN GLN B . B 2 23 ARG 23 23 ARG ARG B . B 2 24 THR 24 24 THR THR B . B 2 25 PRO 25 25 PRO PRO B . B 2 26 LYS 26 26 LYS LYS B . B 2 27 ILE 27 27 ILE ILE B . B 2 28 GLN 28 28 GLN GLN B . B 2 29 VAL 29 29 VAL VAL B . B 2 30 TYR 30 30 TYR TYR B . B 2 31 SER 31 31 SER SER B . B 2 32 ARG 32 32 ARG ARG B . B 2 33 HIS 33 33 HIS HIS B . B 2 34 PRO 34 34 PRO PRO B . B 2 35 ALA 35 35 ALA ALA B . B 2 36 GLU 36 36 GLU GLU B . B 2 37 ASN 37 37 ASN ASN B . B 2 38 GLY 38 38 GLY GLY B . B 2 39 LYS 39 39 LYS LYS B . B 2 40 SER 40 40 SER SER B . B 2 41 ASN 41 41 ASN ASN B . B 2 42 PHE 42 42 PHE PHE B . B 2 43 LEU 43 43 LEU LEU B . B 2 44 ASN 44 44 ASN ASN B . B 2 45 CYS 45 45 CYS CYS B . B 2 46 TYR 46 46 TYR TYR B . B 2 47 VAL 47 47 VAL VAL B . B 2 48 SER 48 48 SER SER B . B 2 49 GLY 49 49 GLY GLY B . B 2 50 PHE 50 50 PHE PHE B . B 2 51 HIS 51 51 HIS HIS B . B 2 52 PRO 52 52 PRO PRO B . B 2 53 SER 53 53 SER SER B . B 2 54 ASP 54 54 ASP ASP B . B 2 55 ILE 55 55 ILE ILE B . B 2 56 GLU 56 56 GLU GLU B . B 2 57 VAL 57 57 VAL VAL B . B 2 58 ASP 58 58 ASP ASP B . B 2 59 LEU 59 59 LEU LEU B . B 2 60 LEU 60 60 LEU LEU B . B 2 61 LYS 61 61 LYS LYS B . B 2 62 ASN 62 62 ASN ASN B . B 2 63 GLY 63 63 GLY GLY B . B 2 64 GLU 64 64 GLU GLU B . B 2 65 ARG 65 65 ARG ARG B . B 2 66 ILE 66 66 ILE ILE B . B 2 67 GLU 67 67 GLU GLU B . B 2 68 LYS 68 68 LYS LYS B . B 2 69 VAL 69 69 VAL VAL B . B 2 70 GLU 70 70 GLU GLU B . B 2 71 HIS 71 71 HIS HIS B . B 2 72 SER 72 72 SER SER B . B 2 73 ASP 73 73 ASP ASP B . B 2 74 LEU 74 74 LEU LEU B . B 2 75 SER 75 75 SER SER B . B 2 76 PHE 76 76 PHE PHE B . B 2 77 SER 77 77 SER SER B . B 2 78 LYS 78 78 LYS LYS B . B 2 79 ASP 79 79 ASP ASP B . B 2 80 TRP 80 80 TRP TRP B . B 2 81 SER 81 81 SER SER B . B 2 82 PHE 82 82 PHE PHE B . B 2 83 TYR 83 83 TYR TYR B . B 2 84 LEU 84 84 LEU LEU B . B 2 85 LEU 85 85 LEU LEU B . B 2 86 TYR 86 86 TYR TYR B . B 2 87 TYR 87 87 TYR TYR B . B 2 88 THR 88 88 THR THR B . B 2 89 GLU 89 89 GLU GLU B . B 2 90 PHE 90 90 PHE PHE B . B 2 91 THR 91 91 THR THR B . B 2 92 PRO 92 92 PRO PRO B . B 2 93 THR 93 93 THR THR B . B 2 94 GLU 94 94 GLU GLU B . B 2 95 LYS 95 95 LYS LYS B . B 2 96 ASP 96 96 ASP ASP B . B 2 97 GLU 97 97 GLU GLU B . B 2 98 TYR 98 98 TYR TYR B . B 2 99 ALA 99 99 ALA ALA B . B 2 100 CYS 100 100 CYS CYS B . B 2 101 ARG 101 101 ARG ARG B . B 2 102 VAL 102 102 VAL VAL B . B 2 103 ASN 103 103 ASN ASN B . B 2 104 HIS 104 104 HIS HIS B . B 2 105 VAL 105 105 VAL VAL B . B 2 106 THR 106 106 THR THR B . B 2 107 LEU 107 107 LEU LEU B . B 2 108 SER 108 108 SER SER B . B 2 109 GLN 109 109 GLN GLN B . B 2 110 PRO 110 110 PRO PRO B . B 2 111 LYS 111 111 LYS LYS B . B 2 112 ILE 112 112 ILE ILE B . B 2 113 VAL 113 113 VAL VAL B . B 2 114 LYS 114 114 LYS LYS B . B 2 115 TRP 115 115 TRP TRP B . B 2 116 ASP 116 116 ASP ASP B . B 2 117 ARG 117 117 ARG ARG B . B 2 118 ASP 118 118 ASP ASP B . B 2 119 MET 119 119 MET MET B . loop_ _ma_data.id _ma_data.name _ma_data.content_type 1 'Homo sapiens (Human) HLA-A (P04439; 1 - 365)' target 2 'Homo sapiens (Human) B2M (P61769; 1 - 119)' target 3 'Model 3' 'model coordinates' 4 'Paired MSA for the dimer' 'coevolution MSA' loop_ _ma_data_group.ordinal_id _ma_data_group.group_id _ma_data_group.data_id 1 1 1 2 1 2 3 2 1 4 2 2 5 2 4 6 3 4 7 4 3 loop_ _ma_target_entity.entity_id _ma_target_entity.data_id _ma_target_entity.origin 1 1 'reference database' 2 2 'reference database' loop_ _ma_target_entity_instance.asym_id _ma_target_entity_instance.entity_id _ma_target_entity_instance.details A 1 . B 2 . loop_ _ma_protocol_step.ordinal_id _ma_protocol_step.protocol_id _ma_protocol_step.step_id _ma_protocol_step.method_type _ma_protocol_step.step_name _ma_protocol_step.details _ma_protocol_step.software_group_id _ma_protocol_step.input_data_group_id _ma_protocol_step.output_data_group_id 1 1 1 'coevolution MSA' . 'Create paired MSAs for the dimers' . 1 3 2 1 2 modeling . "Model using AlphaFold ('model 3' parameters; pTM monomer version) with a 200 residue gap between the two chains, without templates and without model relaxation" 1 2 4 loop_ _ma_model_list.ordinal_id _ma_model_list.model_id _ma_model_list.model_group_id _ma_model_list.model_name _ma_model_list.model_group_name _ma_model_list.data_id _ma_model_list.model_type _ma_model_list.model_type_other_details 1 1 1 'Model 3' . 3 'Ab initio model' . 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_seq_id _atom_site.auth_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.label_asym_id _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.label_entity_id _atom_site.auth_asym_id _atom_site.B_iso_or_equiv _atom_site.pdbx_PDB_model_num ATOM 1 N N . MET 1 1 ? A 23.647 7.012 53.811 1.000 1 A 36.140 1 ATOM 2 C CA . MET 1 1 ? A 24.273 7.789 52.745 1.000 1 A 36.140 1 ATOM 3 C C . MET 1 1 ? A 24.187 7.053 51.412 1.000 1 A 36.140 1 ATOM 4 O O . MET 1 1 ? A 24.817 6.009 51.233 1.000 1 A 36.140 1 ATOM 5 C CB . MET 1 1 ? A 25.734 8.089 53.084 1.000 1 A 36.140 1 ATOM 6 C CG . MET 1 1 ? A 25.921 9.322 53.954 1.000 1 A 36.140 1 ATOM 7 S SD . MET 1 1 ? A 27.688 9.757 54.185 1.000 1 A 36.140 1 ATOM 8 C CE . MET 1 1 ? A 27.668 10.263 55.927 1.000 1 A 36.140 1 ATOM 9 N N . ALA 2 2 ? A 23.031 6.903 50.872 1.000 1 A 38.330 1 ATOM 10 C CA . ALA 2 2 ? A 23.062 6.327 49.530 1.000 1 A 38.330 1 ATOM 11 C C . ALA 2 2 ? A 22.279 7.190 48.545 1.000 1 A 38.330 1 ATOM 12 O O . ALA 2 2 ? A 21.131 7.555 48.805 1.000 1 A 38.330 1 ATOM 13 C CB . ALA 2 2 ? A 22.504 4.906 49.548 1.000 1 A 38.330 1 ATOM 14 N N . VAL 3 3 ? A 22.900 8.266 48.054 1.000 1 A 40.533 1 ATOM 15 C CA . VAL 3 3 ? A 23.045 9.140 46.894 1.000 1 A 40.533 1 ATOM 16 C C . VAL 3 3 ? A 21.947 8.837 45.878 1.000 1 A 40.533 1 ATOM 17 O O . VAL 3 3 ? A 21.825 7.704 45.406 1.000 1 A 40.533 1 ATOM 18 C CB . VAL 3 3 ? A 24.436 8.987 46.238 1.000 1 A 40.533 1 ATOM 19 C CG1 . VAL 3 3 ? A 24.517 9.801 44.949 1.000 1 A 40.533 1 ATOM 20 C CG2 . VAL 3 3 ? A 25.534 9.410 47.212 1.000 1 A 40.533 1 ATOM 21 N N . MET 4 4 ? A 20.754 9.379 46.082 1.000 1 A 38.288 1 ATOM 22 C CA . MET 4 4 ? A 19.572 9.642 45.266 1.000 1 A 38.288 1 ATOM 23 C C . MET 4 4 ? A 19.933 10.470 44.037 1.000 1 A 38.288 1 ATOM 24 O O . MET 4 4 ? A 20.413 11.598 44.162 1.000 1 A 38.288 1 ATOM 25 C CB . MET 4 4 ? A 18.502 10.364 46.086 1.000 1 A 38.288 1 ATOM 26 C CG . MET 4 4 ? A 17.680 9.440 46.970 1.000 1 A 38.288 1 ATOM 27 S SD . MET 4 4 ? A 16.344 10.326 47.864 1.000 1 A 38.288 1 ATOM 28 C CE . MET 4 4 ? A 15.379 10.950 46.460 1.000 1 A 38.288 1 ATOM 29 N N . ALA 5 5 ? A 20.757 9.982 43.130 1.000 1 A 42.424 1 ATOM 30 C CA . ALA 5 5 ? A 20.869 10.724 41.877 1.000 1 A 42.424 1 ATOM 31 C C . ALA 5 5 ? A 19.616 10.550 41.023 1.000 1 A 42.424 1 ATOM 32 O O . ALA 5 5 ? A 19.075 9.447 40.923 1.000 1 A 42.424 1 ATOM 33 C CB . ALA 5 5 ? A 22.105 10.276 41.101 1.000 1 A 42.424 1 ATOM 34 N N . PRO 6 6 ? A 18.980 11.575 40.593 1.000 1 A 47.695 1 ATOM 35 C CA . PRO 6 6 ? A 17.659 11.989 40.115 1.000 1 A 47.695 1 ATOM 36 C C . PRO 6 6 ? A 17.295 11.364 38.771 1.000 1 A 47.695 1 ATOM 37 O O . PRO 6 6 ? A 18.113 11.354 37.848 1.000 1 A 47.695 1 ATOM 38 C CB . PRO 6 6 ? A 17.789 13.509 39.993 1.000 1 A 47.695 1 ATOM 39 C CG . PRO 6 6 ? A 19.232 13.745 39.682 1.000 1 A 47.695 1 ATOM 40 C CD . PRO 6 6 ? A 19.942 12.422 39.681 1.000 1 A 47.695 1 ATOM 41 N N . ARG 7 7 ? A 16.681 10.195 38.753 1.000 1 A 50.516 1 ATOM 42 C CA . ARG 7 7 ? A 15.786 9.484 37.845 1.000 1 A 50.516 1 ATOM 43 C C . ARG 7 7 ? A 14.811 10.444 37.172 1.000 1 A 50.516 1 ATOM 44 O O . ARG 7 7 ? A 14.193 10.103 36.162 1.000 1 A 50.516 1 ATOM 45 C CB . ARG 7 7 ? A 15.016 8.394 38.593 1.000 1 A 50.516 1 ATOM 46 C CG . ARG 7 7 ? A 15.814 7.120 38.821 1.000 1 A 50.516 1 ATOM 47 C CD . ARG 7 7 ? A 14.969 6.032 39.468 1.000 1 A 50.516 1 ATOM 48 N NE . ARG 7 7 ? A 15.670 4.752 39.499 1.000 1 A 50.516 1 ATOM 49 C CZ . ARG 7 7 ? A 15.456 3.792 40.396 1.000 1 A 50.516 1 ATOM 50 N NH1 . ARG 7 7 ? A 14.553 3.951 41.356 1.000 1 A 50.516 1 ATOM 51 N NH2 . ARG 7 7 ? A 16.151 2.666 40.331 1.000 1 A 50.516 1 ATOM 52 N N . THR 8 8 ? A 15.003 11.806 37.463 1.000 1 A 48.946 1 ATOM 53 C CA . THR 8 8 ? A 14.035 12.679 36.809 1.000 1 A 48.946 1 ATOM 54 C C . THR 8 8 ? A 14.611 13.256 35.519 1.000 1 A 48.946 1 ATOM 55 O O . THR 8 8 ? A 13.879 13.489 34.555 1.000 1 A 48.946 1 ATOM 56 C CB . THR 8 8 ? A 13.601 13.827 37.739 1.000 1 A 48.946 1 ATOM 57 O OG1 . THR 8 8 ? A 14.435 13.832 38.904 1.000 1 A 48.946 1 ATOM 58 C CG2 . THR 8 8 ? A 12.147 13.666 38.170 1.000 1 A 48.946 1 ATOM 59 N N . LEU 9 9 ? A 15.965 13.019 35.287 1.000 1 A 48.102 1 ATOM 60 C CA . LEU 9 9 ? A 16.487 13.611 34.060 1.000 1 A 48.102 1 ATOM 61 C C . LEU 9 9 ? A 16.525 12.584 32.934 1.000 1 A 48.102 1 ATOM 62 O O . LEU 9 9 ? A 16.364 12.934 31.762 1.000 1 A 48.102 1 ATOM 63 C CB . LEU 9 9 ? A 17.888 14.182 34.293 1.000 1 A 48.102 1 ATOM 64 C CG . LEU 9 9 ? A 18.042 15.694 34.120 1.000 1 A 48.102 1 ATOM 65 C CD1 . LEU 9 9 ? A 18.266 16.362 35.472 1.000 1 A 48.102 1 ATOM 66 C CD2 . LEU 9 9 ? A 19.189 16.008 33.165 1.000 1 A 48.102 1 ATOM 67 N N . LEU 10 10 ? A 16.287 11.265 33.289 1.000 1 A 47.795 1 ATOM 68 C CA . LEU 10 10 ? A 16.293 10.284 32.209 1.000 1 A 47.795 1 ATOM 69 C C . LEU 10 10 ? A 14.888 10.076 31.655 1.000 1 A 47.795 1 ATOM 70 O O . LEU 10 10 ? A 14.721 9.776 30.471 1.000 1 A 47.795 1 ATOM 71 C CB . LEU 10 10 ? A 16.863 8.950 32.701 1.000 1 A 47.795 1 ATOM 72 C CG . LEU 10 10 ? A 18.170 8.491 32.051 1.000 1 A 47.795 1 ATOM 73 C CD1 . LEU 10 10 ? A 19.329 8.635 33.032 1.000 1 A 47.795 1 ATOM 74 C CD2 . LEU 10 10 ? A 18.049 7.050 31.567 1.000 1 A 47.795 1 ATOM 75 N N . LEU 11 11 ? A 13.880 10.683 32.349 1.000 1 A 49.389 1 ATOM 76 C CA . LEU 11 11 ? A 12.550 10.548 31.764 1.000 1 A 49.389 1 ATOM 77 C C . LEU 11 11 ? A 12.218 11.749 30.885 1.000 1 A 49.389 1 ATOM 78 O O . LEU 11 11 ? A 11.476 11.623 29.908 1.000 1 A 49.389 1 ATOM 79 C CB . LEU 11 11 ? A 11.494 10.398 32.863 1.000 1 A 49.389 1 ATOM 80 C CG . LEU 11 11 ? A 11.274 8.984 33.403 1.000 1 A 49.389 1 ATOM 81 C CD1 . LEU 11 11 ? A 10.818 9.036 34.857 1.000 1 A 49.389 1 ATOM 82 C CD2 . LEU 11 11 ? A 10.259 8.236 32.546 1.000 1 A 49.389 1 ATOM 83 N N . LEU 12 12 ? A 13.111 12.827 31.037 1.000 1 A 46.430 1 ATOM 84 C CA . LEU 12 12 ? A 12.854 13.946 30.137 1.000 1 A 46.430 1 ATOM 85 C C . LEU 12 12 ? A 13.604 13.768 28.821 1.000 1 A 46.430 1 ATOM 86 O O . LEU 12 12 ? A 13.127 14.195 27.767 1.000 1 A 46.430 1 ATOM 87 C CB . LEU 12 12 ? A 13.260 15.268 30.794 1.000 1 A 46.430 1 ATOM 88 C CG . LEU 12 12 ? A 12.280 15.846 31.816 1.000 1 A 46.430 1 ATOM 89 C CD1 . LEU 12 12 ? A 12.998 16.816 32.749 1.000 1 A 46.430 1 ATOM 90 C CD2 . LEU 12 12 ? A 11.117 16.535 31.111 1.000 1 A 46.430 1 ATOM 91 N N . LEU 13 13 ? A 14.524 12.706 28.832 1.000 1 A 46.074 1 ATOM 92 C CA . LEU 13 13 ? A 15.170 12.476 27.545 1.000 1 A 46.074 1 ATOM 93 C C . LEU 13 13 ? A 14.491 11.337 26.792 1.000 1 A 46.074 1 ATOM 94 O O . LEU 13 13 ? A 14.586 11.254 25.565 1.000 1 A 46.074 1 ATOM 95 C CB . LEU 13 13 ? A 16.656 12.161 27.739 1.000 1 A 46.074 1 ATOM 96 C CG . LEU 13 13 ? A 17.569 13.353 28.031 1.000 1 A 46.074 1 ATOM 97 C CD1 . LEU 13 13 ? A 18.816 12.894 28.779 1.000 1 A 46.074 1 ATOM 98 C CD2 . LEU 13 13 ? A 17.947 14.067 26.737 1.000 1 A 46.074 1 ATOM 99 N N . SER 14 14 ? A 13.507 10.647 27.525 1.000 1 A 46.254 1 ATOM 100 C CA . SER 14 14 ? A 12.786 9.640 26.753 1.000 1 A 46.254 1 ATOM 101 C C . SER 14 14 ? A 11.512 10.218 26.144 1.000 1 A 46.254 1 ATOM 102 O O . SER 14 14 ? A 11.000 9.696 25.152 1.000 1 A 46.254 1 ATOM 103 C CB . SER 14 14 ? A 12.441 8.437 27.631 1.000 1 A 46.254 1 ATOM 104 O OG . SER 14 14 ? A 11.889 8.857 28.867 1.000 1 A 46.254 1 ATOM 105 N N . GLY 15 15 ? A 11.207 11.542 26.593 1.000 1 A 44.193 1 ATOM 106 C CA . GLY 15 15 ? A 10.051 12.163 25.966 1.000 1 A 44.193 1 ATOM 107 C C . GLY 15 15 ? A 10.408 13.004 24.756 1.000 1 A 44.193 1 ATOM 108 O O . GLY 15 15 ? A 9.577 13.209 23.868 1.000 1 A 44.193 1 ATOM 109 N N . ALA 16 16 ? A 11.756 13.188 24.508 1.000 1 A 40.087 1 ATOM 110 C CA . ALA 16 16 ? A 12.106 13.874 23.267 1.000 1 A 40.087 1 ATOM 111 C C . ALA 16 16 ? A 12.502 12.876 22.182 1.000 1 A 40.087 1 ATOM 112 O O . ALA 16 16 ? A 12.405 13.175 20.990 1.000 1 A 40.087 1 ATOM 113 C CB . ALA 16 16 ? A 13.238 14.869 23.509 1.000 1 A 40.087 1 ATOM 114 N N . LEU 17 17 ? A 12.609 11.509 22.647 1.000 1 A 38.662 1 ATOM 115 C CA . LEU 17 17 ? A 12.818 10.521 21.594 1.000 1 A 38.662 1 ATOM 116 C C . LEU 17 17 ? A 11.490 9.933 21.129 1.000 1 A 38.662 1 ATOM 117 O O . LEU 17 17 ? A 11.458 9.111 20.210 1.000 1 A 38.662 1 ATOM 118 C CB . LEU 17 17 ? A 13.741 9.402 22.085 1.000 1 A 38.662 1 ATOM 119 C CG . LEU 17 17 ? A 15.222 9.758 22.226 1.000 1 A 38.662 1 ATOM 120 C CD1 . LEU 17 17 ? A 15.932 8.732 23.103 1.000 1 A 38.662 1 ATOM 121 C CD2 . LEU 17 17 ? A 15.884 9.847 20.855 1.000 1 A 38.662 1 ATOM 122 N N . ALA 18 18 ? A 10.301 10.440 21.691 1.000 1 A 38.773 1 ATOM 123 C CA . ALA 18 18 ? A 8.953 10.070 21.269 1.000 1 A 38.773 1 ATOM 124 C C . ALA 18 18 ? A 8.580 10.758 19.959 1.000 1 A 38.773 1 ATOM 125 O O . ALA 18 18 ? A 8.843 11.950 19.780 1.000 1 A 38.773 1 ATOM 126 C CB . ALA 18 18 ? A 7.940 10.419 22.357 1.000 1 A 38.773 1 ATOM 127 N N . LEU 19 19 ? A 9.301 10.506 18.755 1.000 1 A 34.791 1 ATOM 128 C CA . LEU 19 19 ? A 8.714 10.376 17.426 1.000 1 A 34.791 1 ATOM 129 C C . LEU 19 19 ? A 9.031 11.599 16.570 1.000 1 A 34.791 1 ATOM 130 O O . LEU 19 19 ? A 8.598 12.710 16.884 1.000 1 A 34.791 1 ATOM 131 C CB . LEU 19 19 ? A 7.198 10.187 17.525 1.000 1 A 34.791 1 ATOM 132 C CG . LEU 19 19 ? A 6.715 8.797 17.943 1.000 1 A 34.791 1 ATOM 133 C CD1 . LEU 19 19 ? A 5.315 8.881 18.542 1.000 1 A 34.791 1 ATOM 134 C CD2 . LEU 19 19 ? A 6.737 7.842 16.754 1.000 1 A 34.791 1 ATOM 135 N N . THR 20 20 ? A 10.311 12.127 16.502 1.000 1 A 36.860 1 ATOM 136 C CA . THR 20 20 ? A 10.512 12.929 15.301 1.000 1 A 36.860 1 ATOM 137 C C . THR 20 20 ? A 9.245 12.956 14.450 1.000 1 A 36.860 1 ATOM 138 O O . THR 20 20 ? A 8.649 11.911 14.182 1.000 1 A 36.860 1 ATOM 139 C CB . THR 20 20 ? A 11.686 12.392 14.461 1.000 1 A 36.860 1 ATOM 140 O OG1 . THR 20 20 ? A 11.456 11.011 14.157 1.000 1 A 36.860 1 ATOM 141 C CG2 . THR 20 20 ? A 13.006 12.522 15.214 1.000 1 A 36.860 1 ATOM 142 N N . GLN 21 21 ? A 8.169 13.485 14.973 1.000 1 A 40.331 1 ATOM 143 C CA . GLN 21 21 ? A 7.272 14.414 14.294 1.000 1 A 40.331 1 ATOM 144 C C . GLN 21 21 ? A 7.491 14.385 12.784 1.000 1 A 40.331 1 ATOM 145 O O . GLN 21 21 ? A 8.561 14.760 12.299 1.000 1 A 40.331 1 ATOM 146 C CB . GLN 21 21 ? A 7.467 15.835 14.825 1.000 1 A 40.331 1 ATOM 147 C CG . GLN 21 21 ? A 6.802 16.084 16.172 1.000 1 A 40.331 1 ATOM 148 C CD . GLN 21 21 ? A 6.987 17.508 16.664 1.000 1 A 40.331 1 ATOM 149 O OE1 . GLN 21 21 ? A 7.255 18.421 15.876 1.000 1 A 40.331 1 ATOM 150 N NE2 . GLN 21 21 ? A 6.847 17.707 17.970 1.000 1 A 40.331 1 ATOM 151 N N . THR 22 22 ? A 7.578 13.172 12.060 1.000 1 A 40.720 1 ATOM 152 C CA . THR 22 22 ? A 7.659 13.194 10.604 1.000 1 A 40.720 1 ATOM 153 C C . THR 22 22 ? A 6.827 14.340 10.033 1.000 1 A 40.720 1 ATOM 154 O O . THR 22 22 ? A 5.609 14.381 10.218 1.000 1 A 40.720 1 ATOM 155 C CB . THR 22 22 ? A 7.185 11.861 9.997 1.000 1 A 40.720 1 ATOM 156 O OG1 . THR 22 22 ? A 5.864 11.570 10.471 1.000 1 A 40.720 1 ATOM 157 C CG2 . THR 22 22 ? A 8.116 10.717 10.388 1.000 1 A 40.720 1 ATOM 158 N N . TRP 23 23 ? A 6.825 15.537 10.699 1.000 1 A 47.915 1 ATOM 159 C CA . TRP 23 23 ? A 6.409 16.708 9.935 1.000 1 A 47.915 1 ATOM 160 C C . TRP 23 23 ? A 6.882 16.610 8.488 1.000 1 A 47.915 1 ATOM 161 O O . TRP 23 23 ? A 8.049 16.305 8.229 1.000 1 A 47.915 1 ATOM 162 C CB . TRP 23 23 ? A 6.950 17.989 10.576 1.000 1 A 47.915 1 ATOM 163 C CG . TRP 23 23 ? A 6.131 18.485 11.730 1.000 1 A 47.915 1 ATOM 164 C CD1 . TRP 23 23 ? A 5.782 17.787 12.853 1.000 1 A 47.915 1 ATOM 165 C CD2 . TRP 23 23 ? A 5.554 19.786 11.871 1.000 1 A 47.915 1 ATOM 166 N NE1 . TRP 23 23 ? A 5.023 18.577 13.684 1.000 1 A 47.915 1 ATOM 167 C CE2 . TRP 23 23 ? A 4.868 19.808 13.105 1.000 1 A 47.915 1 ATOM 168 C CE3 . TRP 23 23 ? A 5.550 20.938 11.072 1.000 1 A 47.915 1 ATOM 169 C CZ2 . TRP 23 23 ? A 4.185 20.938 13.561 1.000 1 A 47.915 1 ATOM 170 C CZ3 . TRP 23 23 ? A 4.870 22.062 11.527 1.000 1 A 47.915 1 ATOM 171 C CH2 . TRP 23 23 ? A 4.198 22.051 12.760 1.000 1 A 47.915 1 ATOM 172 N N . ALA 24 24 ? A 6.181 15.896 7.572 1.000 1 A 55.574 1 ATOM 173 C CA . ALA 24 24 ? A 5.954 16.481 6.253 1.000 1 A 55.574 1 ATOM 174 C C . ALA 24 24 ? A 7.269 16.916 5.613 1.000 1 A 55.574 1 ATOM 175 O O . ALA 24 24 ? A 8.008 17.721 6.183 1.000 1 A 55.574 1 ATOM 176 C CB . ALA 24 24 ? A 4.997 17.666 6.354 1.000 1 A 55.574 1 ATOM 177 N N . GLY 25 25 ? A 8.197 16.005 5.280 1.000 1 A 73.697 1 ATOM 178 C CA . GLY 25 25 ? A 9.215 16.663 4.476 1.000 1 A 73.697 1 ATOM 179 C C . GLY 25 25 ? A 9.994 15.703 3.598 1.000 1 A 73.697 1 ATOM 180 O O . GLY 25 25 ? A 10.790 16.129 2.758 1.000 1 A 73.697 1 ATOM 181 N N . SER 26 26 ? A 9.678 14.440 3.784 1.000 1 A 90.345 1 ATOM 182 C CA . SER 26 26 ? A 10.448 13.597 2.874 1.000 1 A 90.345 1 ATOM 183 C C . SER 26 26 ? A 9.555 12.982 1.801 1.000 1 A 90.345 1 ATOM 184 O O . SER 26 26 ? A 8.337 12.903 1.971 1.000 1 A 90.345 1 ATOM 185 C CB . SER 26 26 ? A 11.166 12.490 3.647 1.000 1 A 90.345 1 ATOM 186 O OG . SER 26 26 ? A 10.235 11.565 4.183 1.000 1 A 90.345 1 ATOM 187 N N . HIS 27 27 ? A 9.961 12.875 0.715 1.000 1 A 95.026 1 ATOM 188 C CA . HIS 27 27 ? A 9.295 12.246 -0.420 1.000 1 A 95.026 1 ATOM 189 C C . HIS 27 27 ? A 10.061 11.018 -0.898 1.000 1 A 95.026 1 ATOM 190 O O . HIS 27 27 ? A 11.290 10.972 -0.803 1.000 1 A 95.026 1 ATOM 191 C CB . HIS 27 27 ? A 9.135 13.245 -1.567 1.000 1 A 95.026 1 ATOM 192 C CG . HIS 27 27 ? A 8.252 14.406 -1.234 1.000 1 A 95.026 1 ATOM 193 N ND1 . HIS 27 27 ? A 6.877 14.321 -1.240 1.000 1 A 95.026 1 ATOM 194 C CD2 . HIS 27 27 ? A 8.553 15.678 -0.882 1.000 1 A 95.026 1 ATOM 195 C CE1 . HIS 27 27 ? A 6.368 15.495 -0.905 1.000 1 A 95.026 1 ATOM 196 N NE2 . HIS 27 27 ? A 7.364 16.336 -0.683 1.000 1 A 95.026 1 ATOM 197 N N . SER 28 28 ? A 9.291 10.034 -1.333 1.000 1 A 96.629 1 ATOM 198 C CA . SER 28 28 ? A 9.896 8.779 -1.769 1.000 1 A 96.629 1 ATOM 199 C C . SER 28 28 ? A 9.416 8.388 -3.163 1.000 1 A 96.629 1 ATOM 200 O O . SER 28 28 ? A 8.276 8.672 -3.535 1.000 1 A 96.629 1 ATOM 201 C CB . SER 28 28 ? A 9.576 7.658 -0.779 1.000 1 A 96.629 1 ATOM 202 O OG . SER 28 28 ? A 8.188 7.371 -0.774 1.000 1 A 96.629 1 ATOM 203 N N . MET 29 29 ? A 10.350 7.894 -3.856 1.000 1 A 98.041 1 ATOM 204 C CA . MET 29 29 ? A 10.047 7.194 -5.101 1.000 1 A 98.041 1 ATOM 205 C C . MET 29 29 ? A 10.464 5.729 -5.016 1.000 1 A 98.041 1 ATOM 206 O O . MET 29 29 ? A 11.635 5.426 -4.779 1.000 1 A 98.041 1 ATOM 207 C CB . MET 29 29 ? A 10.745 7.869 -6.283 1.000 1 A 98.041 1 ATOM 208 C CG . MET 29 29 ? A 10.407 7.249 -7.629 1.000 1 A 98.041 1 ATOM 209 S SD . MET 29 29 ? A 11.255 8.090 -9.022 1.000 1 A 98.041 1 ATOM 210 C CE . MET 29 29 ? A 12.960 7.535 -8.741 1.000 1 A 98.041 1 ATOM 211 N N . ARG 30 30 ? A 9.421 4.851 -5.290 1.000 1 A 97.631 1 ATOM 212 C CA . ARG 30 30 ? A 9.685 3.420 -5.174 1.000 1 A 97.631 1 ATOM 213 C C . ARG 30 30 ? A 9.117 2.661 -6.369 1.000 1 A 97.631 1 ATOM 214 O O . ARG 30 30 ? A 8.003 2.940 -6.816 1.000 1 A 97.631 1 ATOM 215 C CB . ARG 30 30 ? A 9.096 2.868 -3.875 1.000 1 A 97.631 1 ATOM 216 C CG . ARG 30 30 ? A 9.752 3.419 -2.618 1.000 1 A 97.631 1 ATOM 217 C CD . ARG 30 30 ? A 9.105 2.867 -1.356 1.000 1 A 97.631 1 ATOM 218 N NE . ARG 30 30 ? A 9.710 3.426 -0.151 1.000 1 A 97.631 1 ATOM 219 C CZ . ARG 30 30 ? A 9.074 4.191 0.732 1.000 1 A 97.631 1 ATOM 220 N NH1 . ARG 30 30 ? A 7.795 4.504 0.560 1.000 1 A 97.631 1 ATOM 221 N NH2 . ARG 30 30 ? A 9.721 4.648 1.794 1.000 1 A 97.631 1 ATOM 222 N N . TYR 31 31 ? A 9.930 1.766 -6.819 1.000 1 A 97.819 1 ATOM 223 C CA . TYR 31 31 ? A 9.486 0.804 -7.821 1.000 1 A 97.819 1 ATOM 224 C C . TYR 31 31 ? A 9.327 -0.584 -7.212 1.000 1 A 97.819 1 ATOM 225 O O . TYR 31 31 ? A 10.128 -0.995 -6.369 1.000 1 A 97.819 1 ATOM 226 C CB . TYR 31 31 ? A 10.473 0.750 -8.991 1.000 1 A 97.819 1 ATOM 227 C CG . TYR 31 31 ? A 10.517 2.020 -9.806 1.000 1 A 97.819 1 ATOM 228 C CD1 . TYR 31 31 ? A 9.580 2.259 -10.809 1.000 1 A 97.819 1 ATOM 229 C CD2 . TYR 31 31 ? A 11.495 2.982 -9.576 1.000 1 A 97.819 1 ATOM 230 C CE1 . TYR 31 31 ? A 9.618 3.427 -11.565 1.000 1 A 97.819 1 ATOM 231 C CE2 . TYR 31 31 ? A 11.542 4.153 -10.325 1.000 1 A 97.819 1 ATOM 232 C CZ . TYR 31 31 ? A 10.600 4.366 -11.315 1.000 1 A 97.819 1 ATOM 233 O OH . TYR 31 31 ? A 10.642 5.524 -12.060 1.000 1 A 97.819 1 ATOM 234 N N . PHE 32 32 ? A 8.304 -1.256 -7.604 1.000 1 A 98.029 1 ATOM 235 C CA . PHE 32 32 ? A 8.012 -2.625 -7.196 1.000 1 A 98.029 1 ATOM 236 C C . PHE 32 32 ? A 7.935 -3.546 -8.408 1.000 1 A 98.029 1 ATOM 237 O O . PHE 32 32 ? A 7.099 -3.347 -9.293 1.000 1 A 98.029 1 ATOM 238 C CB . PHE 32 32 ? A 6.700 -2.684 -6.408 1.000 1 A 98.029 1 ATOM 239 C CG . PHE 32 32 ? A 6.693 -1.821 -5.175 1.000 1 A 98.029 1 ATOM 240 C CD1 . PHE 32 32 ? A 7.023 -2.353 -3.935 1.000 1 A 98.029 1 ATOM 241 C CD2 . PHE 32 32 ? A 6.357 -0.476 -5.256 1.000 1 A 98.029 1 ATOM 242 C CE1 . PHE 32 32 ? A 7.018 -1.557 -2.792 1.000 1 A 98.029 1 ATOM 243 C CE2 . PHE 32 32 ? A 6.349 0.326 -4.119 1.000 1 A 98.029 1 ATOM 244 C CZ . PHE 32 32 ? A 6.679 -0.216 -2.887 1.000 1 A 98.029 1 ATOM 245 N N . PHE 33 33 ? A 8.823 -4.508 -8.485 1.000 1 A 98.309 1 ATOM 246 C CA . PHE 33 33 ? A 8.815 -5.529 -9.526 1.000 1 A 98.309 1 ATOM 247 C C . PHE 33 33 ? A 8.369 -6.873 -8.963 1.000 1 A 98.309 1 ATOM 248 O O . PHE 33 33 ? A 8.893 -7.330 -7.944 1.000 1 A 98.309 1 ATOM 249 C CB . PHE 33 33 ? A 10.202 -5.661 -10.162 1.000 1 A 98.309 1 ATOM 250 C CG . PHE 33 33 ? A 10.688 -4.400 -10.825 1.000 1 A 98.309 1 ATOM 251 C CD1 . PHE 33 33 ? A 9.830 -3.324 -11.018 1.000 1 A 98.309 1 ATOM 252 C CD2 . PHE 33 33 ? A 12.003 -4.290 -11.256 1.000 1 A 98.309 1 ATOM 253 C CE1 . PHE 33 33 ? A 10.276 -2.156 -11.631 1.000 1 A 98.309 1 ATOM 254 C CE2 . PHE 33 33 ? A 12.457 -3.126 -11.870 1.000 1 A 98.309 1 ATOM 255 C CZ . PHE 33 33 ? A 11.592 -2.061 -12.057 1.000 1 A 98.309 1 ATOM 256 N N . THR 34 34 ? A 7.423 -7.508 -9.652 1.000 1 A 97.942 1 ATOM 257 C CA . THR 34 34 ? A 6.961 -8.841 -9.282 1.000 1 A 97.942 1 ATOM 258 C C . THR 34 34 ? A 7.054 -9.795 -10.469 1.000 1 A 97.942 1 ATOM 259 O O . THR 34 34 ? A 6.546 -9.498 -11.552 1.000 1 A 97.942 1 ATOM 260 C CB . THR 34 34 ? A 5.512 -8.805 -8.761 1.000 1 A 97.942 1 ATOM 261 O OG1 . THR 34 34 ? A 5.433 -7.908 -7.647 1.000 1 A 97.942 1 ATOM 262 C CG2 . THR 34 34 ? A 5.052 -10.190 -8.318 1.000 1 A 97.942 1 ATOM 263 N N . SER 35 35 ? A 7.762 -10.883 -10.321 1.000 1 A 97.205 1 ATOM 264 C CA . SER 35 35 ? A 7.830 -11.958 -11.306 1.000 1 A 97.205 1 ATOM 265 C C . SER 35 35 ? A 7.341 -13.277 -10.718 1.000 1 A 97.205 1 ATOM 266 O O . SER 35 35 ? A 7.770 -13.677 -9.634 1.000 1 A 97.205 1 ATOM 267 C CB . SER 35 35 ? A 9.260 -12.121 -11.824 1.000 1 A 97.205 1 ATOM 268 O OG . SER 35 35 ? A 9.739 -10.903 -12.368 1.000 1 A 97.205 1 ATOM 269 N N . VAL 36 36 ? A 6.372 -13.901 -11.396 1.000 1 A 95.320 1 ATOM 270 C CA . VAL 36 36 ? A 5.788 -15.144 -10.903 1.000 1 A 95.320 1 ATOM 271 C C . VAL 36 36 ? A 5.904 -16.229 -11.971 1.000 1 A 95.320 1 ATOM 272 O O . VAL 36 36 ? A 5.431 -16.054 -13.096 1.000 1 A 95.320 1 ATOM 273 C CB . VAL 36 36 ? A 4.311 -14.954 -10.493 1.000 1 A 95.320 1 ATOM 274 C CG1 . VAL 36 36 ? A 3.754 -16.234 -9.872 1.000 1 A 95.320 1 ATOM 275 C CG2 . VAL 36 36 ? A 4.172 -13.781 -9.524 1.000 1 A 95.320 1 ATOM 276 N N . SER 37 37 ? A 6.560 -17.366 -11.560 1.000 1 A 93.222 1 ATOM 277 C CA . SER 37 37 ? A 6.606 -18.504 -12.473 1.000 1 A 93.222 1 ATOM 278 C C . SER 37 37 ? A 5.240 -19.170 -12.596 1.000 1 A 93.222 1 ATOM 279 O O . SER 37 37 ? A 4.449 -19.158 -11.650 1.000 1 A 93.222 1 ATOM 280 C CB . SER 37 37 ? A 7.640 -19.528 -12.001 1.000 1 A 93.222 1 ATOM 281 O OG . SER 37 37 ? A 7.288 -20.050 -10.731 1.000 1 A 93.222 1 ATOM 282 N N . ARG 38 38 ? A 4.876 -19.532 -13.795 1.000 1 A 89.236 1 ATOM 283 C CA . ARG 38 38 ? A 3.632 -20.236 -14.089 1.000 1 A 89.236 1 ATOM 284 C C . ARG 38 38 ? A 3.910 -21.614 -14.682 1.000 1 A 89.236 1 ATOM 285 O O . ARG 38 38 ? A 4.006 -21.762 -15.902 1.000 1 A 89.236 1 ATOM 286 C CB . ARG 38 38 ? A 2.765 -19.418 -15.048 1.000 1 A 89.236 1 ATOM 287 C CG . ARG 38 38 ? A 2.257 -18.112 -14.458 1.000 1 A 89.236 1 ATOM 288 C CD . ARG 38 38 ? A 1.387 -17.348 -15.446 1.000 1 A 89.236 1 ATOM 289 N NE . ARG 38 38 ? A 2.182 -16.754 -16.517 1.000 1 A 89.236 1 ATOM 290 C CZ . ARG 38 38 ? A 1.696 -15.974 -17.479 1.000 1 A 89.236 1 ATOM 291 N NH1 . ARG 38 38 ? A 0.402 -15.677 -17.522 1.000 1 A 89.236 1 ATOM 292 N NH2 . ARG 38 38 ? A 2.509 -15.486 -18.404 1.000 1 A 89.236 1 ATOM 293 N N . PRO 39 39 ? A 4.201 -22.564 -13.689 1.000 1 A 80.005 1 ATOM 294 C CA . PRO 39 39 ? A 4.486 -23.898 -14.223 1.000 1 A 80.005 1 ATOM 295 C C . PRO 39 39 ? A 3.403 -24.396 -15.177 1.000 1 A 80.005 1 ATOM 296 O O . PRO 39 39 ? A 2.216 -24.359 -14.843 1.000 1 A 80.005 1 ATOM 297 C CB . PRO 39 39 ? A 4.554 -24.773 -12.969 1.000 1 A 80.005 1 ATOM 298 C CG . PRO 39 39 ? A 4.772 -23.813 -11.844 1.000 1 A 80.005 1 ATOM 299 C CD . PRO 39 39 ? A 4.186 -22.485 -12.231 1.000 1 A 80.005 1 ATOM 300 N N . GLY 40 40 ? A 3.791 -24.719 -16.373 1.000 1 A 79.701 1 ATOM 301 C CA . GLY 40 40 ? A 2.888 -25.325 -17.338 1.000 1 A 79.701 1 ATOM 302 C C . GLY 40 40 ? A 2.159 -24.307 -18.195 1.000 1 A 79.701 1 ATOM 303 O O . GLY 40 40 ? A 1.384 -24.674 -19.080 1.000 1 A 79.701 1 ATOM 304 N N . ARG 41 41 ? A 2.266 -23.042 -17.818 1.000 1 A 75.919 1 ATOM 305 C CA . ARG 41 41 ? A 1.411 -22.048 -18.458 1.000 1 A 75.919 1 ATOM 306 C C . ARG 41 41 ? A 2.237 -21.059 -19.274 1.000 1 A 75.919 1 ATOM 307 O O . ARG 41 41 ? A 1.762 -19.971 -19.606 1.000 1 A 75.919 1 ATOM 308 C CB . ARG 41 41 ? A 0.580 -21.301 -17.413 1.000 1 A 75.919 1 ATOM 309 C CG . ARG 41 41 ? A -0.446 -22.170 -16.705 1.000 1 A 75.919 1 ATOM 310 C CD . ARG 41 41 ? A -1.356 -21.348 -15.803 1.000 1 A 75.919 1 ATOM 311 N NE . ARG 41 41 ? A -2.344 -22.185 -15.127 1.000 1 A 75.919 1 ATOM 312 C CZ . ARG 41 41 ? A -3.232 -21.743 -14.241 1.000 1 A 75.919 1 ATOM 313 N NH1 . ARG 41 41 ? A -3.273 -20.459 -13.905 1.000 1 A 75.919 1 ATOM 314 N NH2 . ARG 41 41 ? A -4.085 -22.591 -13.686 1.000 1 A 75.919 1 ATOM 315 N N . GLY 42 42 ? A 3.507 -21.392 -19.514 1.000 1 A 81.832 1 ATOM 316 C CA . GLY 42 42 ? A 4.254 -20.492 -20.378 1.000 1 A 81.832 1 ATOM 317 C C . GLY 42 42 ? A 5.208 -19.591 -19.618 1.000 1 A 81.832 1 ATOM 318 O O . GLY 42 42 ? A 5.822 -20.015 -18.637 1.000 1 A 81.832 1 ATOM 319 N N . GLU 43 43 ? A 5.362 -18.372 -20.246 1.000 1 A 90.366 1 ATOM 320 C CA . GLU 43 43 ? A 6.300 -17.382 -19.723 1.000 1 A 90.366 1 ATOM 321 C C . GLU 43 43 ? A 5.828 -16.831 -18.381 1.000 1 A 90.366 1 ATOM 322 O O . GLU 43 43 ? A 4.625 -16.693 -18.149 1.000 1 A 90.366 1 ATOM 323 C CB . GLU 43 43 ? A 6.490 -16.240 -20.724 1.000 1 A 90.366 1 ATOM 324 C CG . GLU 43 43 ? A 7.169 -16.663 -22.018 1.000 1 A 90.366 1 ATOM 325 C CD . GLU 43 43 ? A 8.653 -16.952 -21.851 1.000 1 A 90.366 1 ATOM 326 O OE1 . GLU 43 43 ? A 9.209 -17.746 -22.643 1.000 1 A 90.366 1 ATOM 327 O OE2 . GLU 43 43 ? A 9.263 -16.380 -20.920 1.000 1 A 90.366 1 ATOM 328 N N . PRO 44 44 ? A 6.818 -16.581 -17.471 1.000 1 A 94.175 1 ATOM 329 C CA . PRO 44 44 ? A 6.434 -15.966 -16.198 1.000 1 A 94.175 1 ATOM 330 C C . PRO 44 44 ? A 5.745 -14.615 -16.379 1.000 1 A 94.175 1 ATOM 331 O O . PRO 44 44 ? A 6.000 -13.915 -17.361 1.000 1 A 94.175 1 ATOM 332 C CB . PRO 44 44 ? A 7.769 -15.804 -15.467 1.000 1 A 94.175 1 ATOM 333 C CG . PRO 44 44 ? A 8.674 -16.813 -16.098 1.000 1 A 94.175 1 ATOM 334 C CD . PRO 44 44 ? A 8.285 -16.967 -17.540 1.000 1 A 94.175 1 ATOM 335 N N . ARG 45 45 ? A 4.811 -14.338 -15.508 1.000 1 A 95.229 1 ATOM 336 C CA . ARG 45 45 ? A 4.179 -13.023 -15.488 1.000 1 A 95.229 1 ATOM 337 C C . ARG 45 45 ? A 5.064 -12.001 -14.782 1.000 1 A 95.229 1 ATOM 338 O O . ARG 45 45 ? A 5.624 -12.285 -13.721 1.000 1 A 95.229 1 ATOM 339 C CB . ARG 45 45 ? A 2.812 -13.093 -14.804 1.000 1 A 95.229 1 ATOM 340 C CG . ARG 45 45 ? A 2.043 -11.782 -14.827 1.000 1 A 95.229 1 ATOM 341 C CD . ARG 45 45 ? A 0.706 -11.899 -14.108 1.000 1 A 95.229 1 ATOM 342 N NE . ARG 45 45 ? A -0.058 -10.657 -14.186 1.000 1 A 95.229 1 ATOM 343 C CZ . ARG 45 45 ? A -1.259 -10.471 -13.645 1.000 1 A 95.229 1 ATOM 344 N NH1 . ARG 45 45 ? A -1.858 -11.447 -12.972 1.000 1 A 95.229 1 ATOM 345 N NH2 . ARG 45 45 ? A -1.865 -9.300 -13.777 1.000 1 A 95.229 1 ATOM 346 N N . PHE 46 46 ? A 5.221 -10.851 -15.349 1.000 1 A 97.224 1 ATOM 347 C CA . PHE 46 46 ? A 6.009 -9.754 -14.800 1.000 1 A 97.224 1 ATOM 348 C C . PHE 46 46 ? A 5.158 -8.498 -14.651 1.000 1 A 97.224 1 ATOM 349 O O . PHE 46 46 ? A 4.506 -8.067 -15.605 1.000 1 A 97.224 1 ATOM 350 C CB . PHE 46 46 ? A 7.222 -9.464 -15.690 1.000 1 A 97.224 1 ATOM 351 C CG . PHE 46 46 ? A 8.074 -8.325 -15.202 1.000 1 A 97.224 1 ATOM 352 C CD1 . PHE 46 46 ? A 7.925 -7.049 -15.732 1.000 1 A 97.224 1 ATOM 353 C CD2 . PHE 46 46 ? A 9.027 -8.530 -14.212 1.000 1 A 97.224 1 ATOM 354 C CE1 . PHE 46 46 ? A 8.713 -5.993 -15.281 1.000 1 A 97.224 1 ATOM 355 C CE2 . PHE 46 46 ? A 9.818 -7.479 -13.756 1.000 1 A 97.224 1 ATOM 356 C CZ . PHE 46 46 ? A 9.660 -6.211 -14.293 1.000 1 A 97.224 1 ATOM 357 N N . ILE 47 47 ? A 5.179 -7.962 -13.419 1.000 1 A 97.431 1 ATOM 358 C CA . ILE 47 47 ? A 4.452 -6.734 -13.117 1.000 1 A 97.431 1 ATOM 359 C C . ILE 47 47 ? A 5.406 -5.705 -12.513 1.000 1 A 97.431 1 ATOM 360 O O . ILE 47 47 ? A 6.206 -6.033 -11.635 1.000 1 A 97.431 1 ATOM 361 C CB . ILE 47 47 ? A 3.270 -6.997 -12.158 1.000 1 A 97.431 1 ATOM 362 C CG1 . ILE 47 47 ? A 2.282 -7.986 -12.787 1.000 1 A 97.431 1 ATOM 363 C CG2 . ILE 47 47 ? A 2.571 -5.685 -11.789 1.000 1 A 97.431 1 ATOM 364 C CD1 . ILE 47 47 ? A 1.236 -8.518 -11.817 1.000 1 A 97.431 1 ATOM 365 N N . ALA 48 48 ? A 5.337 -4.486 -12.986 1.000 1 A 98.169 1 ATOM 366 C CA . ALA 48 48 ? A 6.084 -3.359 -12.434 1.000 1 A 98.169 1 ATOM 367 C C . ALA 48 48 ? A 5.157 -2.190 -12.115 1.000 1 A 98.169 1 ATOM 368 O O . ALA 48 48 ? A 4.343 -1.789 -12.951 1.000 1 A 98.169 1 ATOM 369 C CB . ALA 48 48 ? A 7.177 -2.918 -13.405 1.000 1 A 98.169 1 ATOM 370 N N . VAL 49 49 ? A 5.262 -1.700 -10.896 1.000 1 A 98.010 1 ATOM 371 C CA . VAL 49 49 ? A 4.519 -0.504 -10.513 1.000 1 A 98.010 1 ATOM 372 C C . VAL 49 49 ? A 5.453 0.483 -9.814 1.000 1 A 98.010 1 ATOM 373 O O . VAL 49 49 ? A 6.467 0.084 -9.237 1.000 1 A 98.010 1 ATOM 374 C CB . VAL 49 49 ? A 3.324 -0.847 -9.597 1.000 1 A 98.010 1 ATOM 375 C CG1 . VAL 49 49 ? A 2.331 -1.755 -10.321 1.000 1 A 98.010 1 ATOM 376 C CG2 . VAL 49 49 ? A 3.812 -1.504 -8.307 1.000 1 A 98.010 1 ATOM 377 N N . GLY 50 50 ? A 5.177 1.789 -9.975 1.000 1 A 97.753 1 ATOM 378 C CA . GLY 50 50 ? A 5.932 2.855 -9.336 1.000 1 A 97.753 1 ATOM 379 C C . GLY 50 50 ? A 5.067 3.787 -8.510 1.000 1 A 97.753 1 ATOM 380 O O . GLY 50 50 ? A 3.943 4.109 -8.901 1.000 1 A 97.753 1 ATOM 381 N N . TYR 51 51 ? A 5.679 4.184 -7.353 1.000 1 A 97.119 1 ATOM 382 C CA . TYR 51 51 ? A 4.985 5.108 -6.462 1.000 1 A 97.119 1 ATOM 383 C C . TYR 51 51 ? A 5.855 6.318 -6.146 1.000 1 A 97.119 1 ATOM 384 O O . TYR 51 51 ? A 7.062 6.184 -5.932 1.000 1 A 97.119 1 ATOM 385 C CB . TYR 51 51 ? A 4.580 4.402 -5.164 1.000 1 A 97.119 1 ATOM 386 C CG . TYR 51 51 ? A 3.436 3.431 -5.332 1.000 1 A 97.119 1 ATOM 387 C CD1 . TYR 51 51 ? A 2.131 3.802 -5.017 1.000 1 A 97.119 1 ATOM 388 C CD2 . TYR 51 51 ? A 3.659 2.143 -5.806 1.000 1 A 97.119 1 ATOM 389 C CE1 . TYR 51 51 ? A 1.074 2.910 -5.168 1.000 1 A 97.119 1 ATOM 390 C CE2 . TYR 51 51 ? A 2.609 1.243 -5.961 1.000 1 A 97.119 1 ATOM 391 C CZ . TYR 51 51 ? A 1.323 1.635 -5.641 1.000 1 A 97.119 1 ATOM 392 O OH . TYR 51 51 ? A 0.280 0.748 -5.793 1.000 1 A 97.119 1 ATOM 393 N N . VAL 52 52 ? A 5.265 7.455 -6.205 1.000 1 A 97.242 1 ATOM 394 C CA . VAL 52 52 ? A 5.777 8.618 -5.489 1.000 1 A 97.242 1 ATOM 395 C C . VAL 52 52 ? A 4.940 8.864 -4.236 1.000 1 A 97.242 1 ATOM 396 O O . VAL 52 52 ? A 3.758 9.203 -4.328 1.000 1 A 97.242 1 ATOM 397 C CB . VAL 52 52 ? A 5.781 9.879 -6.383 1.000 1 A 97.242 1 ATOM 398 C CG1 . VAL 52 52 ? A 6.291 11.090 -5.605 1.000 1 A 97.242 1 ATOM 399 C CG2 . VAL 52 52 ? A 6.630 9.644 -7.631 1.000 1 A 97.242 1 ATOM 400 N N . ASP 53 53 ? A 5.591 8.537 -3.164 1.000 1 A 94.016 1 ATOM 401 C CA . ASP 53 53 ? A 4.890 8.535 -1.883 1.000 1 A 94.016 1 ATOM 402 C C . ASP 53 53 ? A 3.731 7.542 -1.893 1.000 1 A 94.016 1 ATOM 403 O O . ASP 53 53 ? A 3.944 6.332 -1.997 1.000 1 A 94.016 1 ATOM 404 C CB . ASP 53 53 ? A 4.378 9.938 -1.549 1.000 1 A 94.016 1 ATOM 405 C CG . ASP 53 53 ? A 5.497 10.934 -1.301 1.000 1 A 94.016 1 ATOM 406 O OD1 . ASP 53 53 ? A 6.600 10.522 -0.882 1.000 1 A 94.016 1 ATOM 407 O OD2 . ASP 53 53 ? A 5.273 12.144 -1.525 1.000 1 A 94.016 1 ATOM 408 N N . ASP 54 54 ? A 2.495 7.928 -1.933 1.000 1 A 91.323 1 ATOM 409 C CA . ASP 54 54 ? A 1.341 7.040 -1.829 1.000 1 A 91.323 1 ATOM 410 C C . ASP 54 54 ? A 0.552 7.009 -3.136 1.000 1 A 91.323 1 ATOM 411 O O . ASP 54 54 ? A -0.545 6.448 -3.193 1.000 1 A 91.323 1 ATOM 412 C CB . ASP 54 54 ? A 0.433 7.472 -0.676 1.000 1 A 91.323 1 ATOM 413 C CG . ASP 54 54 ? A 1.144 7.487 0.665 1.000 1 A 91.323 1 ATOM 414 O OD1 . ASP 54 54 ? A 1.688 6.441 1.078 1.000 1 A 91.323 1 ATOM 415 O OD2 . ASP 54 54 ? A 1.157 8.554 1.317 1.000 1 A 91.323 1 ATOM 416 N N . THR 55 55 ? A 1.195 7.655 -4.218 1.000 1 A 94.165 1 ATOM 417 C CA . THR 55 55 ? A 0.476 7.760 -5.483 1.000 1 A 94.165 1 ATOM 418 C C . THR 55 55 ? A 1.172 6.945 -6.570 1.000 1 A 94.165 1 ATOM 419 O O . THR 55 55 ? A 2.321 7.222 -6.921 1.000 1 A 94.165 1 ATOM 420 C CB . THR 55 55 ? A 0.353 9.226 -5.936 1.000 1 A 94.165 1 ATOM 421 O OG1 . THR 55 55 ? A -0.306 9.983 -4.913 1.000 1 A 94.165 1 ATOM 422 C CG2 . THR 55 55 ? A -0.448 9.337 -7.230 1.000 1 A 94.165 1 ATOM 423 N N . GLN 56 56 ? A 0.460 6.012 -7.094 1.000 1 A 95.352 1 ATOM 424 C CA . GLN 56 56 ? A 0.974 5.231 -8.214 1.000 1 A 95.352 1 ATOM 425 C C . GLN 56 56 ? A 1.030 6.069 -9.489 1.000 1 A 95.352 1 ATOM 426 O O . GLN 56 56 ? A 0.045 6.710 -9.860 1.000 1 A 95.352 1 ATOM 427 C CB . GLN 56 56 ? A 0.114 3.987 -8.441 1.000 1 A 95.352 1 ATOM 428 C CG . GLN 56 56 ? A 0.616 3.088 -9.563 1.000 1 A 95.352 1 ATOM 429 C CD . GLN 56 56 ? A -0.279 1.886 -9.798 1.000 1 A 95.352 1 ATOM 430 O OE1 . GLN 56 56 ? A -1.396 1.816 -9.275 1.000 1 A 95.352 1 ATOM 431 N NE2 . GLN 56 56 ? A 0.204 0.931 -10.585 1.000 1 A 95.352 1 ATOM 432 N N . PHE 57 57 ? A 2.190 5.968 -10.162 1.000 1 A 97.110 1 ATOM 433 C CA . PHE 57 57 ? A 2.259 6.839 -11.329 1.000 1 A 97.110 1 ATOM 434 C C . PHE 57 57 ? A 2.593 6.039 -12.583 1.000 1 A 97.110 1 ATOM 435 O O . PHE 57 57 ? A 2.333 6.490 -13.701 1.000 1 A 97.110 1 ATOM 436 C CB . PHE 57 57 ? A 3.300 7.942 -11.117 1.000 1 A 97.110 1 ATOM 437 C CG . PHE 57 57 ? A 4.721 7.444 -11.119 1.000 1 A 97.110 1 ATOM 438 C CD1 . PHE 57 57 ? A 5.282 6.899 -9.971 1.000 1 A 97.110 1 ATOM 439 C CD2 . PHE 57 57 ? A 5.495 7.522 -12.269 1.000 1 A 97.110 1 ATOM 440 C CE1 . PHE 57 57 ? A 6.596 6.438 -9.969 1.000 1 A 97.110 1 ATOM 441 C CE2 . PHE 57 57 ? A 6.809 7.063 -12.276 1.000 1 A 97.110 1 ATOM 442 C CZ . PHE 57 57 ? A 7.358 6.522 -11.124 1.000 1 A 97.110 1 ATOM 443 N N . VAL 58 58 ? A 3.009 4.789 -12.430 1.000 1 A 97.366 1 ATOM 444 C CA . VAL 58 58 ? A 3.317 3.998 -13.617 1.000 1 A 97.366 1 ATOM 445 C C . VAL 58 58 ? A 3.019 2.525 -13.347 1.000 1 A 97.366 1 ATOM 446 O O . VAL 58 58 ? A 3.042 2.081 -12.196 1.000 1 A 97.366 1 ATOM 447 C CB . VAL 58 58 ? A 4.790 4.174 -14.049 1.000 1 A 97.366 1 ATOM 448 C CG1 . VAL 58 58 ? A 5.028 5.581 -14.594 1.000 1 A 97.366 1 ATOM 449 C CG2 . VAL 58 58 ? A 5.727 3.885 -12.878 1.000 1 A 97.366 1 ATOM 450 N N . ARG 59 59 ? A 2.755 1.815 -14.475 1.000 1 A 97.101 1 ATOM 451 C CA . ARG 59 59 ? A 2.490 0.383 -14.387 1.000 1 A 97.101 1 ATOM 452 C C . ARG 59 59 ? A 2.883 -0.327 -15.678 1.000 1 A 97.101 1 ATOM 453 O O . ARG 59 59 ? A 2.750 0.235 -16.767 1.000 1 A 97.101 1 ATOM 454 C CB . ARG 59 59 ? A 1.013 0.127 -14.077 1.000 1 A 97.101 1 ATOM 455 C CG . ARG 59 59 ? A 0.585 -1.319 -14.270 1.000 1 A 97.101 1 ATOM 456 C CD . ARG 59 59 ? A -0.922 -1.484 -14.134 1.000 1 A 97.101 1 ATOM 457 N NE . ARG 59 59 ? A -1.332 -2.871 -14.334 1.000 1 A 97.101 1 ATOM 458 C CZ . ARG 59 59 ? A -2.556 -3.340 -14.104 1.000 1 A 97.101 1 ATOM 459 N NH1 . ARG 59 59 ? A -3.517 -2.538 -13.659 1.000 1 A 97.101 1 ATOM 460 N NH2 . ARG 59 59 ? A -2.821 -4.620 -14.319 1.000 1 A 97.101 1 ATOM 461 N N . PHE 60 60 ? A 3.365 -1.540 -15.522 1.000 1 A 98.011 1 ATOM 462 C CA . PHE 60 60 ? A 3.608 -2.486 -16.604 1.000 1 A 98.011 1 ATOM 463 C C . PHE 60 60 ? A 3.133 -3.882 -16.220 1.000 1 A 98.011 1 ATOM 464 O O . PHE 60 60 ? A 3.386 -4.346 -15.106 1.000 1 A 98.011 1 ATOM 465 C CB . PHE 60 60 ? A 5.096 -2.519 -16.967 1.000 1 A 98.011 1 ATOM 466 C CG . PHE 60 60 ? A 5.440 -3.527 -18.030 1.000 1 A 98.011 1 ATOM 467 C CD1 . PHE 60 60 ? A 5.753 -4.837 -17.691 1.000 1 A 98.011 1 ATOM 468 C CD2 . PHE 60 60 ? A 5.449 -3.163 -19.371 1.000 1 A 98.011 1 ATOM 469 C CE1 . PHE 60 60 ? A 6.071 -5.772 -18.674 1.000 1 A 98.011 1 ATOM 470 C CE2 . PHE 60 60 ? A 5.766 -4.091 -20.358 1.000 1 A 98.011 1 ATOM 471 C CZ . PHE 60 60 ? A 6.078 -5.395 -20.008 1.000 1 A 98.011 1 ATOM 472 N N . ASP 61 61 ? A 2.449 -4.543 -17.200 1.000 1 A 96.574 1 ATOM 473 C CA . ASP 61 61 ? A 1.989 -5.921 -17.058 1.000 1 A 96.574 1 ATOM 474 C C . ASP 61 61 ? A 2.296 -6.735 -18.313 1.000 1 A 96.574 1 ATOM 475 O O . ASP 61 61 ? A 1.790 -6.431 -19.395 1.000 1 A 96.574 1 ATOM 476 C CB . ASP 61 61 ? A 0.488 -5.958 -16.761 1.000 1 A 96.574 1 ATOM 477 C CG . ASP 61 61 ? A -0.006 -7.341 -16.375 1.000 1 A 96.574 1 ATOM 478 O OD1 . ASP 61 61 ? A 0.711 -8.335 -16.620 1.000 1 A 96.574 1 ATOM 479 O OD2 . ASP 61 61 ? A -1.124 -7.438 -15.824 1.000 1 A 96.574 1 ATOM 480 N N . SER 62 62 ? A 3.093 -7.779 -18.091 1.000 1 A 95.907 1 ATOM 481 C CA . SER 62 62 ? A 3.521 -8.572 -19.239 1.000 1 A 95.907 1 ATOM 482 C C . SER 62 62 ? A 2.352 -9.338 -19.849 1.000 1 A 95.907 1 ATOM 483 O O . SER 62 62 ? A 2.442 -9.820 -20.979 1.000 1 A 95.907 1 ATOM 484 C CB . SER 62 62 ? A 4.626 -9.549 -18.833 1.000 1 A 95.907 1 ATOM 485 O OG . SER 62 62 ? A 4.165 -10.442 -17.833 1.000 1 A 95.907 1 ATOM 486 N N . ASP 63 63 ? A 1.252 -9.360 -19.181 1.000 1 A 93.325 1 ATOM 487 C CA . ASP 63 63 ? A 0.070 -10.049 -19.687 1.000 1 A 93.325 1 ATOM 488 C C . ASP 63 63 ? A -0.880 -9.073 -20.379 1.000 1 A 93.325 1 ATOM 489 O O . ASP 63 63 ? A -1.857 -9.489 -21.006 1.000 1 A 93.325 1 ATOM 490 C CB . ASP 63 63 ? A -0.656 -10.775 -18.553 1.000 1 A 93.325 1 ATOM 491 C CG . ASP 63 63 ? A -0.040 -12.123 -18.221 1.000 1 A 93.325 1 ATOM 492 O OD1 . ASP 63 63 ? A 0.904 -12.550 -18.920 1.000 1 A 93.325 1 ATOM 493 O OD2 . ASP 63 63 ? A -0.504 -12.764 -17.254 1.000 1 A 93.325 1 ATOM 494 N N . ALA 64 64 ? A -0.557 -7.809 -20.162 1.000 1 A 93.799 1 ATOM 495 C CA . ALA 64 64 ? A -1.434 -6.825 -20.791 1.000 1 A 93.799 1 ATOM 496 C C . ALA 64 64 ? A -1.276 -6.839 -22.308 1.000 1 A 93.799 1 ATOM 497 O O . ALA 64 64 ? A -0.208 -7.178 -22.824 1.000 1 A 93.799 1 ATOM 498 C CB . ALA 64 64 ? A -1.148 -5.429 -20.242 1.000 1 A 93.799 1 ATOM 499 N N . ALA 65 65 ? A -2.290 -6.457 -23.071 1.000 1 A 93.981 1 ATOM 500 C CA . ALA 65 65 ? A -2.307 -6.447 -24.532 1.000 1 A 93.981 1 ATOM 501 C C . ALA 65 65 ? A -1.227 -5.523 -25.087 1.000 1 A 93.981 1 ATOM 502 O O . ALA 65 65 ? A -0.518 -5.883 -26.030 1.000 1 A 93.981 1 ATOM 503 C CB . ALA 65 65 ? A -3.681 -6.023 -25.044 1.000 1 A 93.981 1 ATOM 504 N N . SER 66 66 ? A -1.002 -4.315 -24.534 1.000 1 A 91.342 1 ATOM 505 C CA . SER 66 66 ? A -0.113 -3.287 -25.066 1.000 1 A 91.342 1 ATOM 506 C C . SER 66 66 ? A 1.336 -3.552 -24.672 1.000 1 A 91.342 1 ATOM 507 O O . SER 66 66 ? A 2.261 -3.155 -25.384 1.000 1 A 91.342 1 ATOM 508 C CB . SER 66 66 ? A -0.539 -1.903 -24.574 1.000 1 A 91.342 1 ATOM 509 O OG . SER 66 66 ? A -0.433 -1.816 -23.164 1.000 1 A 91.342 1 ATOM 510 N N . GLN 67 67 ? A 1.535 -4.465 -23.636 1.000 1 A 94.424 1 ATOM 511 C CA . GLN 67 67 ? A 2.840 -4.739 -23.044 1.000 1 A 94.424 1 ATOM 512 C C . GLN 67 67 ? A 3.735 -3.504 -23.089 1.000 1 A 94.424 1 ATOM 513 O O . GLN 67 67 ? A 4.873 -3.573 -23.558 1.000 1 A 94.424 1 ATOM 514 C CB . GLN 67 67 ? A 3.520 -5.907 -23.760 1.000 1 A 94.424 1 ATOM 515 C CG . GLN 67 67 ? A 2.805 -7.239 -23.580 1.000 1 A 94.424 1 ATOM 516 C CD . GLN 67 67 ? A 3.600 -8.411 -24.126 1.000 1 A 94.424 1 ATOM 517 O OE1 . GLN 67 67 ? A 4.312 -8.282 -25.127 1.000 1 A 94.424 1 ATOM 518 N NE2 . GLN 67 67 ? A 3.483 -9.562 -23.474 1.000 1 A 94.424 1 ATOM 519 N N . ARG 68 68 ? A 3.235 -2.333 -22.677 1.000 1 A 97.459 1 ATOM 520 C CA . ARG 68 68 ? A 3.928 -1.054 -22.557 1.000 1 A 97.459 1 ATOM 521 C C . ARG 68 68 ? A 3.781 -0.481 -21.151 1.000 1 A 97.459 1 ATOM 522 O O . ARG 68 68 ? A 2.823 -0.799 -20.443 1.000 1 A 97.459 1 ATOM 523 C CB . ARG 68 68 ? A 3.397 -0.056 -23.588 1.000 1 A 97.459 1 ATOM 524 C CG . ARG 68 68 ? A 3.691 -0.443 -25.029 1.000 1 A 97.459 1 ATOM 525 C CD . ARG 68 68 ? A 3.314 0.668 -25.999 1.000 1 A 97.459 1 ATOM 526 N NE . ARG 68 68 ? A 3.837 0.414 -27.338 1.000 1 A 97.459 1 ATOM 527 C CZ . ARG 68 68 ? A 3.465 1.070 -28.434 1.000 1 A 97.459 1 ATOM 528 N NH1 . ARG 68 68 ? A 2.556 2.035 -28.371 1.000 1 A 97.459 1 ATOM 529 N NH2 . ARG 68 68 ? A 4.006 0.757 -29.603 1.000 1 A 97.459 1 ATOM 530 N N . MET 69 69 ? A 4.865 0.346 -20.782 1.000 1 A 97.637 1 ATOM 531 C CA . MET 69 69 ? A 4.717 1.129 -19.558 1.000 1 A 97.637 1 ATOM 532 C C . MET 69 69 ? A 3.597 2.154 -19.701 1.000 1 A 97.637 1 ATOM 533 O O . MET 69 69 ? A 3.559 2.906 -20.676 1.000 1 A 97.637 1 ATOM 534 C CB . MET 69 69 ? A 6.029 1.833 -19.208 1.000 1 A 97.637 1 ATOM 535 C CG . MET 69 69 ? A 5.991 2.576 -17.882 1.000 1 A 97.637 1 ATOM 536 S SD . MET 69 69 ? A 5.763 1.450 -16.452 1.000 1 A 97.637 1 ATOM 537 C CE . MET 69 69 ? A 7.402 0.673 -16.392 1.000 1 A 97.637 1 ATOM 538 N N . GLU 70 70 ? A 2.667 2.145 -18.738 1.000 1 A 96.603 1 ATOM 539 C CA . GLU 70 70 ? A 1.485 2.998 -18.820 1.000 1 A 96.603 1 ATOM 540 C C . GLU 70 70 ? A 1.436 3.986 -17.658 1.000 1 A 96.603 1 ATOM 541 O O . GLU 70 70 ? A 1.823 3.653 -16.536 1.000 1 A 96.603 1 ATOM 542 C CB . GLU 70 70 ? A 0.210 2.150 -18.843 1.000 1 A 96.603 1 ATOM 543 C CG . GLU 70 70 ? A 0.124 1.201 -20.030 1.000 1 A 96.603 1 ATOM 544 C CD . GLU 70 70 ? A -1.078 0.273 -19.970 1.000 1 A 96.603 1 ATOM 545 O OE1 . GLU 70 70 ? A -1.462 -0.292 -21.020 1.000 1 A 96.603 1 ATOM 546 O OE2 . GLU 70 70 ? A -1.642 0.110 -18.865 1.000 1 A 96.603 1 ATOM 547 N N . PRO 71 71 ? A 0.969 5.181 -17.983 1.000 1 A 96.788 1 ATOM 548 C CA . PRO 71 71 ? A 0.770 6.158 -16.910 1.000 1 A 96.788 1 ATOM 549 C C . PRO 71 71 ? A -0.419 5.815 -16.014 1.000 1 A 96.788 1 ATOM 550 O O . PRO 71 71 ? A -1.448 5.342 -16.502 1.000 1 A 96.788 1 ATOM 551 C CB . PRO 71 71 ? A 0.525 7.467 -17.665 1.000 1 A 96.788 1 ATOM 552 C CG . PRO 71 71 ? A -0.140 7.054 -18.939 1.000 1 A 96.788 1 ATOM 553 C CD . PRO 71 71 ? A 0.441 5.740 -19.376 1.000 1 A 96.788 1 ATOM 554 N N . ARG 72 72 ? A -0.239 6.159 -14.646 1.000 1 A 95.210 1 ATOM 555 C CA . ARG 72 72 ? A -1.337 5.907 -13.717 1.000 1 A 95.210 1 ATOM 556 C C . ARG 72 72 ? A -1.732 7.180 -12.977 1.000 1 A 95.210 1 ATOM 557 O O . ARG 72 72 ? A -2.542 7.138 -12.049 1.000 1 A 95.210 1 ATOM 558 C CB . ARG 72 72 ? A -0.953 4.816 -12.715 1.000 1 A 95.210 1 ATOM 559 C CG . ARG 72 72 ? A -0.843 3.428 -13.328 1.000 1 A 95.210 1 ATOM 560 C CD . ARG 72 72 ? A -2.165 2.970 -13.928 1.000 1 A 95.210 1 ATOM 561 N NE . ARG 72 72 ? A -2.046 1.658 -14.556 1.000 1 A 95.210 1 ATOM 562 C CZ . ARG 72 72 ? A -3.029 1.034 -15.200 1.000 1 A 95.210 1 ATOM 563 N NH1 . ARG 72 72 ? A -4.228 1.593 -15.314 1.000 1 A 95.210 1 ATOM 564 N NH2 . ARG 72 72 ? A -2.811 -0.159 -15.735 1.000 1 A 95.210 1 ATOM 565 N N . ALA 73 73 ? A -1.110 8.297 -13.436 1.000 1 A 94.830 1 ATOM 566 C CA . ALA 73 73 ? A -1.436 9.625 -12.923 1.000 1 A 94.830 1 ATOM 567 C C . ALA 73 73 ? A -1.389 10.669 -14.034 1.000 1 A 94.830 1 ATOM 568 O O . ALA 73 73 ? A -0.556 10.584 -14.940 1.000 1 A 94.830 1 ATOM 569 C CB . ALA 73 73 ? A -0.480 10.008 -11.796 1.000 1 A 94.830 1 ATOM 570 N N . PRO 74 74 ? A -2.326 11.638 -13.962 1.000 1 A 95.447 1 ATOM 571 C CA . PRO 74 74 ? A -2.412 12.640 -15.027 1.000 1 A 95.447 1 ATOM 572 C C . PRO 74 74 ? A -1.120 13.435 -15.196 1.000 1 A 95.447 1 ATOM 573 O O . PRO 74 74 ? A -0.707 13.718 -16.324 1.000 1 A 95.447 1 ATOM 574 C CB . PRO 74 74 ? A -3.555 13.548 -14.565 1.000 1 A 95.447 1 ATOM 575 C CG . PRO 74 74 ? A -4.439 12.663 -13.746 1.000 1 A 95.447 1 ATOM 576 C CD . PRO 74 74 ? A -3.575 11.698 -12.986 1.000 1 A 95.447 1 ATOM 577 N N . TRP 75 75 ? A -0.428 13.730 -14.158 1.000 1 A 95.698 1 ATOM 578 C CA . TRP 75 75 ? A 0.752 14.586 -14.231 1.000 1 A 95.698 1 ATOM 579 C C . TRP 75 75 ? A 1.897 13.875 -14.945 1.000 1 A 95.698 1 ATOM 580 O O . TRP 75 75 ? A 2.802 14.521 -15.477 1.000 1 A 95.698 1 ATOM 581 C CB . TRP 75 75 ? A 1.194 15.012 -12.829 1.000 1 A 95.698 1 ATOM 582 C CG . TRP 75 75 ? A 1.405 13.869 -11.882 1.000 1 A 95.698 1 ATOM 583 C CD1 . TRP 75 75 ? A 0.534 13.415 -10.931 1.000 1 A 95.698 1 ATOM 584 C CD2 . TRP 75 75 ? A 2.565 13.036 -11.794 1.000 1 A 95.698 1 ATOM 585 N NE1 . TRP 75 75 ? A 1.083 12.349 -10.256 1.000 1 A 95.698 1 ATOM 586 C CE2 . TRP 75 75 ? A 2.328 12.097 -10.766 1.000 1 A 95.698 1 ATOM 587 C CE3 . TRP 75 75 ? A 3.784 12.993 -12.485 1.000 1 A 95.698 1 ATOM 588 C CZ2 . TRP 75 75 ? A 3.266 11.124 -10.412 1.000 1 A 95.698 1 ATOM 589 C CZ3 . TRP 75 75 ? A 4.716 12.024 -12.132 1.000 1 A 95.698 1 ATOM 590 C CH2 . TRP 75 75 ? A 4.450 11.103 -11.104 1.000 1 A 95.698 1 ATOM 591 N N . ILE 76 76 ? A 1.942 12.572 -15.038 1.000 1 A 97.141 1 ATOM 592 C CA . ILE 76 76 ? A 3.046 11.850 -15.660 1.000 1 A 97.141 1 ATOM 593 C C . ILE 76 76 ? A 2.775 11.678 -17.152 1.000 1 A 97.141 1 ATOM 594 O O . ILE 76 76 ? A 3.690 11.392 -17.927 1.000 1 A 97.141 1 ATOM 595 C CB . ILE 76 76 ? A 3.268 10.474 -14.993 1.000 1 A 97.141 1 ATOM 596 C CG1 . ILE 76 76 ? A 4.602 9.869 -15.448 1.000 1 A 97.141 1 ATOM 597 C CG2 . ILE 76 76 ? A 2.104 9.529 -15.305 1.000 1 A 97.141 1 ATOM 598 C CD1 . ILE 76 76 ? A 5.822 10.680 -15.033 1.000 1 A 97.141 1 ATOM 599 N N . GLU 77 77 ? A 1.532 11.975 -17.550 1.000 1 A 95.564 1 ATOM 600 C CA . GLU 77 77 ? A 1.163 11.808 -18.953 1.000 1 A 95.564 1 ATOM 601 C C . GLU 77 77 ? A 1.853 12.847 -19.833 1.000 1 A 95.564 1 ATOM 602 O O . GLU 77 77 ? A 2.012 12.640 -21.038 1.000 1 A 95.564 1 ATOM 603 C CB . GLU 77 77 ? A -0.356 11.900 -19.124 1.000 1 A 95.564 1 ATOM 604 C CG . GLU 77 77 ? A -1.114 10.721 -18.532 1.000 1 A 95.564 1 ATOM 605 C CD . GLU 77 77 ? A -2.617 10.808 -18.741 1.000 1 A 95.564 1 ATOM 606 O OE1 . GLU 77 77 ? A -3.355 9.951 -18.205 1.000 1 A 95.564 1 ATOM 607 O OE2 . GLU 77 77 ? A -3.061 11.741 -19.447 1.000 1 A 95.564 1 ATOM 608 N N . GLN 78 78 ? A 2.298 13.822 -19.210 1.000 1 A 94.820 1 ATOM 609 C CA . GLN 78 78 ? A 2.900 14.936 -19.933 1.000 1 A 94.820 1 ATOM 610 C C . GLN 78 78 ? A 4.277 14.560 -20.475 1.000 1 A 94.820 1 ATOM 611 O O . GLN 78 78 ? A 4.819 15.252 -21.340 1.000 1 A 94.820 1 ATOM 612 C CB . GLN 78 78 ? A 3.010 16.166 -19.031 1.000 1 A 94.820 1 ATOM 613 C CG . GLN 78 78 ? A 3.910 15.963 -17.820 1.000 1 A 94.820 1 ATOM 614 C CD . GLN 78 78 ? A 3.930 17.165 -16.895 1.000 1 A 94.820 1 ATOM 615 O OE1 . GLN 78 78 ? A 3.489 18.258 -17.265 1.000 1 A 94.820 1 ATOM 616 N NE2 . GLN 78 78 ? A 4.444 16.974 -15.685 1.000 1 A 94.820 1 ATOM 617 N N . GLU 79 79 ? A 4.856 13.486 -19.938 1.000 1 A 95.623 1 ATOM 618 C CA . GLU 79 79 ? A 6.134 13.032 -20.476 1.000 1 A 95.623 1 ATOM 619 C C . GLU 79 79 ? A 5.998 12.602 -21.934 1.000 1 A 95.623 1 ATOM 620 O O . GLU 79 79 ? A 4.930 12.156 -22.358 1.000 1 A 95.623 1 ATOM 621 C CB . GLU 79 79 ? A 6.691 11.879 -19.637 1.000 1 A 95.623 1 ATOM 622 C CG . GLU 79 79 ? A 7.047 12.272 -18.210 1.000 1 A 95.623 1 ATOM 623 C CD . GLU 79 79 ? A 8.143 13.322 -18.133 1.000 1 A 95.623 1 ATOM 624 O OE1 . GLU 79 79 ? A 8.120 14.156 -17.200 1.000 1 A 95.623 1 ATOM 625 O OE2 . GLU 79 79 ? A 9.032 13.312 -19.014 1.000 1 A 95.623 1 ATOM 626 N N . GLY 80 80 ? A 7.016 12.884 -22.752 1.000 1 A 95.454 1 ATOM 627 C CA . GLY 80 80 ? A 6.984 12.617 -24.181 1.000 1 A 95.454 1 ATOM 628 C C . GLY 80 80 ? A 7.169 11.150 -24.518 1.000 1 A 95.454 1 ATOM 629 O O . GLY 80 80 ? A 7.420 10.331 -23.632 1.000 1 A 95.454 1 ATOM 630 N N . PRO 81 81 ? A 6.952 10.759 -25.791 1.000 1 A 96.121 1 ATOM 631 C CA . PRO 81 81 ? A 7.039 9.375 -26.263 1.000 1 A 96.121 1 ATOM 632 C C . PRO 81 81 ? A 8.403 8.744 -25.994 1.000 1 A 96.121 1 ATOM 633 O O . PRO 81 81 ? A 8.494 7.535 -25.769 1.000 1 A 96.121 1 ATOM 634 C CB . PRO 81 81 ? A 6.781 9.499 -27.767 1.000 1 A 96.121 1 ATOM 635 C CG . PRO 81 81 ? A 7.032 10.939 -28.080 1.000 1 A 96.121 1 ATOM 636 C CD . PRO 81 81 ? A 6.676 11.759 -26.872 1.000 1 A 96.121 1 ATOM 637 N N . GLU 82 82 ? A 9.477 9.519 -25.999 1.000 1 A 97.362 1 ATOM 638 C CA . GLU 82 82 ? A 10.812 8.983 -25.750 1.000 1 A 97.362 1 ATOM 639 C C . GLU 82 82 ? A 10.924 8.415 -24.339 1.000 1 A 97.362 1 ATOM 640 O O . GLU 82 82 ? A 11.534 7.363 -24.134 1.000 1 A 97.362 1 ATOM 641 C CB . GLU 82 82 ? A 11.875 10.063 -25.969 1.000 1 A 97.362 1 ATOM 642 C CG . GLU 82 82 ? A 12.057 10.461 -27.426 1.000 1 A 97.362 1 ATOM 643 C CD . GLU 82 82 ? A 13.060 11.586 -27.620 1.000 1 A 97.362 1 ATOM 644 O OE1 . GLU 82 82 ? A 13.242 12.046 -28.770 1.000 1 A 97.362 1 ATOM 645 O OE2 . GLU 82 82 ? A 13.671 12.011 -26.613 1.000 1 A 97.362 1 ATOM 646 N N . TYR 83 83 ? A 10.363 9.151 -23.439 1.000 1 A 96.686 1 ATOM 647 C CA . TYR 83 83 ? A 10.328 8.697 -22.053 1.000 1 A 96.686 1 ATOM 648 C C . TYR 83 83 ? A 9.632 7.346 -21.940 1.000 1 A 96.686 1 ATOM 649 O O . TYR 83 83 ? A 10.170 6.411 -21.342 1.000 1 A 96.686 1 ATOM 650 C CB . TYR 83 83 ? A 9.618 9.726 -21.168 1.000 1 A 96.686 1 ATOM 651 C CG . TYR 83 83 ? A 9.367 9.245 -19.759 1.000 1 A 96.686 1 ATOM 652 C CD1 . TYR 83 83 ? A 8.166 8.628 -19.416 1.000 1 A 96.686 1 ATOM 653 C CD2 . TYR 83 83 ? A 10.330 9.406 -18.769 1.000 1 A 96.686 1 ATOM 654 C CE1 . TYR 83 83 ? A 7.930 8.185 -18.119 1.000 1 A 96.686 1 ATOM 655 C CE2 . TYR 83 83 ? A 10.105 8.967 -17.468 1.000 1 A 96.686 1 ATOM 656 C CZ . TYR 83 83 ? A 8.904 8.358 -17.154 1.000 1 A 96.686 1 ATOM 657 O OH . TYR 83 83 ? A 8.676 7.921 -15.868 1.000 1 A 96.686 1 ATOM 658 N N . TRP 84 84 ? A 8.522 7.233 -22.542 1.000 1 A 97.489 1 ATOM 659 C CA . TRP 84 84 ? A 7.694 6.037 -22.424 1.000 1 A 97.489 1 ATOM 660 C C . TRP 84 84 ? A 8.319 4.866 -23.175 1.000 1 A 97.489 1 ATOM 661 O O . TRP 84 84 ? A 8.279 3.727 -22.704 1.000 1 A 97.489 1 ATOM 662 C CB . TRP 84 84 ? A 6.283 6.305 -22.953 1.000 1 A 97.489 1 ATOM 663 C CG . TRP 84 84 ? A 5.492 7.267 -22.119 1.000 1 A 97.489 1 ATOM 664 C CD1 . TRP 84 84 ? A 5.027 8.496 -22.496 1.000 1 A 97.489 1 ATOM 665 C CD2 . TRP 84 84 ? A 5.076 7.080 -20.762 1.000 1 A 97.489 1 ATOM 666 N NE1 . TRP 84 84 ? A 4.347 9.085 -21.454 1.000 1 A 97.489 1 ATOM 667 C CE2 . TRP 84 84 ? A 4.362 8.237 -20.380 1.000 1 A 97.489 1 ATOM 668 C CE3 . TRP 84 84 ? A 5.238 6.044 -19.832 1.000 1 A 97.489 1 ATOM 669 C CZ2 . TRP 84 84 ? A 3.810 8.387 -19.106 1.000 1 A 97.489 1 ATOM 670 C CZ3 . TRP 84 84 ? A 4.688 6.195 -18.564 1.000 1 A 97.489 1 ATOM 671 C CH2 . TRP 84 84 ? A 3.983 7.359 -18.215 1.000 1 A 97.489 1 ATOM 672 N N . ASP 85 85 ? A 8.938 5.131 -24.291 1.000 1 A 97.952 1 ATOM 673 C CA . ASP 85 85 ? A 9.643 4.084 -25.024 1.000 1 A 97.952 1 ATOM 674 C C . ASP 85 85 ? A 10.816 3.541 -24.212 1.000 1 A 97.952 1 ATOM 675 O O . ASP 85 85 ? A 11.034 2.328 -24.162 1.000 1 A 97.952 1 ATOM 676 C CB . ASP 85 85 ? A 10.136 4.612 -26.373 1.000 1 A 97.952 1 ATOM 677 C CG . ASP 85 85 ? A 9.016 4.805 -27.380 1.000 1 A 97.952 1 ATOM 678 O OD1 . ASP 85 85 ? A 7.908 4.266 -27.170 1.000 1 A 97.952 1 ATOM 679 O OD2 . ASP 85 85 ? A 9.245 5.500 -28.394 1.000 1 A 97.952 1 ATOM 680 N N . GLN 86 86 ? A 11.507 4.487 -23.607 1.000 1 A 97.497 1 ATOM 681 C CA . GLN 86 86 ? A 12.653 4.092 -22.796 1.000 1 A 97.497 1 ATOM 682 C C . GLN 86 86 ? A 12.214 3.269 -21.587 1.000 1 A 97.497 1 ATOM 683 O O . GLN 86 86 ? A 12.811 2.234 -21.285 1.000 1 A 97.497 1 ATOM 684 C CB . GLN 86 86 ? A 13.437 5.322 -22.337 1.000 1 A 97.497 1 ATOM 685 C CG . GLN 86 86 ? A 14.676 4.991 -21.517 1.000 1 A 97.497 1 ATOM 686 C CD . GLN 86 86 ? A 15.694 4.176 -22.293 1.000 1 A 97.497 1 ATOM 687 O OE1 . GLN 86 86 ? A 16.036 4.509 -23.432 1.000 1 A 97.497 1 ATOM 688 N NE2 . GLN 86 86 ? A 16.183 3.102 -21.683 1.000 1 A 97.497 1 ATOM 689 N N . GLU 87 87 ? A 11.150 3.720 -20.919 1.000 1 A 97.466 1 ATOM 690 C CA . GLU 87 87 ? A 10.658 3.003 -19.746 1.000 1 A 97.466 1 ATOM 691 C C . GLU 87 87 ? A 10.149 1.614 -20.121 1.000 1 A 97.466 1 ATOM 692 O O . GLU 87 87 ? A 10.365 0.649 -19.386 1.000 1 A 97.466 1 ATOM 693 C CB . GLU 87 87 ? A 9.548 3.801 -19.055 1.000 1 A 97.466 1 ATOM 694 C CG . GLU 87 87 ? A 10.045 5.041 -18.327 1.000 1 A 97.466 1 ATOM 695 C CD . GLU 87 87 ? A 11.081 4.735 -17.258 1.000 1 A 97.466 1 ATOM 696 O OE1 . GLU 87 87 ? A 12.205 5.282 -17.327 1.000 1 A 97.466 1 ATOM 697 O OE2 . GLU 87 87 ? A 10.767 3.940 -16.344 1.000 1 A 97.466 1 ATOM 698 N N . THR 88 88 ? A 9.565 1.539 -21.298 1.000 1 A 98.257 1 ATOM 699 C CA . THR 88 88 ? A 9.083 0.249 -21.779 1.000 1 A 98.257 1 ATOM 700 C C . THR 88 88 ? A 10.249 -0.699 -22.047 1.000 1 A 98.257 1 ATOM 701 O O . THR 88 88 ? A 10.217 -1.862 -21.639 1.000 1 A 98.257 1 ATOM 702 C CB . THR 88 88 ? A 8.243 0.408 -23.059 1.000 1 A 98.257 1 ATOM 703 O OG1 . THR 88 88 ? A 7.070 1.177 -22.761 1.000 1 A 98.257 1 ATOM 704 C CG2 . THR 88 88 ? A 7.820 -0.948 -23.612 1.000 1 A 98.257 1 ATOM 705 N N . ARG 89 89 ? A 11.292 -0.191 -22.674 1.000 1 A 98.125 1 ATOM 706 C CA . ARG 89 89 ? A 12.468 -1.008 -22.955 1.000 1 A 98.125 1 ATOM 707 C C . ARG 89 89 ? A 13.129 -1.478 -21.664 1.000 1 A 98.125 1 ATOM 708 O O . ARG 89 89 ? A 13.533 -2.638 -21.553 1.000 1 A 98.125 1 ATOM 709 C CB . ARG 89 89 ? A 13.473 -0.229 -23.805 1.000 1 A 98.125 1 ATOM 710 C CG . ARG 89 89 ? A 13.075 -0.101 -25.267 1.000 1 A 98.125 1 ATOM 711 C CD . ARG 89 89 ? A 14.242 0.356 -26.132 1.000 1 A 98.125 1 ATOM 712 N NE . ARG 89 89 ? A 14.741 1.663 -25.716 1.000 1 A 98.125 1 ATOM 713 C CZ . ARG 89 89 ? A 14.949 2.690 -26.535 1.000 1 A 98.125 1 ATOM 714 N NH1 . ARG 89 89 ? A 14.704 2.581 -27.835 1.000 1 A 98.125 1 ATOM 715 N NH2 . ARG 89 89 ? A 15.407 3.836 -26.050 1.000 1 A 98.125 1 ATOM 716 N N . ASN 90 90 ? A 13.245 -0.605 -20.689 1.000 1 A 97.282 1 ATOM 717 C CA . ASN 90 90 ? A 13.894 -0.929 -19.423 1.000 1 A 97.282 1 ATOM 718 C C . ASN 90 90 ? A 13.146 -2.029 -18.675 1.000 1 A 97.282 1 ATOM 719 O O . ASN 90 90 ? A 13.760 -2.978 -18.182 1.000 1 A 97.282 1 ATOM 720 C CB . ASN 90 90 ? A 14.015 0.320 -18.547 1.000 1 A 97.282 1 ATOM 721 C CG . ASN 90 90 ? A 15.022 1.316 -19.088 1.000 1 A 97.282 1 ATOM 722 O OD1 . ASN 90 90 ? A 15.835 0.987 -19.955 1.000 1 A 97.282 1 ATOM 723 N ND2 . ASN 90 90 ? A 14.975 2.542 -18.579 1.000 1 A 97.282 1 ATOM 724 N N . VAL 91 91 ? A 11.829 -1.926 -18.657 1.000 1 A 97.702 1 ATOM 725 C CA . VAL 91 91 ? A 11.050 -2.893 -17.892 1.000 1 A 97.702 1 ATOM 726 C C . VAL 91 91 ? A 11.029 -4.234 -18.623 1.000 1 A 97.702 1 ATOM 727 O O . VAL 91 91 ? A 11.007 -5.293 -17.990 1.000 1 A 97.702 1 ATOM 728 C CB . VAL 91 91 ? A 9.607 -2.396 -17.650 1.000 1 A 97.702 1 ATOM 729 C CG1 . VAL 91 91 ? A 8.833 -2.322 -18.965 1.000 1 A 97.702 1 ATOM 730 C CG2 . VAL 91 91 ? A 8.889 -3.306 -16.655 1.000 1 A 97.702 1 ATOM 731 N N . LYS 92 92 ? A 11.071 -4.240 -19.943 1.000 1 A 97.965 1 ATOM 732 C CA . LYS 92 92 ? A 11.159 -5.485 -20.701 1.000 1 A 97.965 1 ATOM 733 C C . LYS 92 92 ? A 12.494 -6.183 -20.458 1.000 1 A 97.965 1 ATOM 734 O O . LYS 92 92 ? A 12.547 -7.409 -20.340 1.000 1 A 97.965 1 ATOM 735 C CB . LYS 92 92 ? A 10.971 -5.219 -22.195 1.000 1 A 97.965 1 ATOM 736 C CG . LYS 92 92 ? A 9.528 -4.951 -22.599 1.000 1 A 97.965 1 ATOM 737 C CD . LYS 92 92 ? A 9.387 -4.819 -24.110 1.000 1 A 97.965 1 ATOM 738 C CE . LYS 92 92 ? A 7.927 -4.705 -24.528 1.000 1 A 97.965 1 ATOM 739 N NZ . LYS 92 92 ? A 7.783 -4.573 -26.008 1.000 1 A 97.965 1 ATOM 740 N N . ALA 93 93 ? A 13.535 -5.353 -20.432 1.000 1 A 97.853 1 ATOM 741 C CA . ALA 93 93 ? A 14.848 -5.912 -20.122 1.000 1 A 97.853 1 ATOM 742 C C . ALA 93 93 ? A 14.868 -6.524 -18.724 1.000 1 A 97.853 1 ATOM 743 O O . ALA 93 93 ? A 15.425 -7.606 -18.522 1.000 1 A 97.853 1 ATOM 744 C CB . ALA 93 93 ? A 15.926 -4.837 -20.243 1.000 1 A 97.853 1 ATOM 745 N N . GLN 94 94 ? A 14.256 -5.856 -17.797 1.000 1 A 97.582 1 ATOM 746 C CA . GLN 94 94 ? A 14.172 -6.390 -16.441 1.000 1 A 97.582 1 ATOM 747 C C . GLN 94 94 ? A 13.375 -7.690 -16.411 1.000 1 A 97.582 1 ATOM 748 O O . GLN 94 94 ? A 13.739 -8.631 -15.702 1.000 1 A 97.582 1 ATOM 749 C CB . GLN 94 94 ? A 13.541 -5.365 -15.498 1.000 1 A 97.582 1 ATOM 750 C CG . GLN 94 94 ? A 13.505 -5.809 -14.042 1.000 1 A 97.582 1 ATOM 751 C CD . GLN 94 94 ? A 14.889 -6.038 -13.464 1.000 1 A 97.582 1 ATOM 752 O OE1 . GLN 94 94 ? A 15.716 -5.122 -13.415 1.000 1 A 97.582 1 ATOM 753 N NE2 . GLN 94 94 ? A 15.152 -7.264 -13.023 1.000 1 A 97.582 1 ATOM 754 N N . SER 95 95 ? A 12.231 -7.723 -17.146 1.000 1 A 97.559 1 ATOM 755 C CA . SER 95 95 ? A 11.412 -8.927 -17.233 1.000 1 A 97.559 1 ATOM 756 C C . SER 95 95 ? A 12.232 -10.120 -17.712 1.000 1 A 97.559 1 ATOM 757 O O . SER 95 95 ? A 12.104 -11.224 -17.177 1.000 1 A 97.559 1 ATOM 758 C CB . SER 95 95 ? A 10.227 -8.703 -18.173 1.000 1 A 97.559 1 ATOM 759 O OG . SER 95 95 ? A 9.483 -9.898 -18.339 1.000 1 A 97.559 1 ATOM 760 N N . GLN 96 96 ? A 13.106 -9.918 -18.653 1.000 1 A 96.997 1 ATOM 761 C CA . GLN 96 96 ? A 13.961 -10.982 -19.169 1.000 1 A 96.997 1 ATOM 762 C C . GLN 96 96 ? A 14.972 -11.434 -18.119 1.000 1 A 96.997 1 ATOM 763 O O . GLN 96 96 ? A 15.219 -12.631 -17.962 1.000 1 A 96.997 1 ATOM 764 C CB . GLN 96 96 ? A 14.687 -10.522 -20.434 1.000 1 A 96.997 1 ATOM 765 C CG . GLN 96 96 ? A 13.765 -10.294 -21.624 1.000 1 A 96.997 1 ATOM 766 C CD . GLN 96 96 ? A 12.940 -11.519 -21.971 1.000 1 A 96.997 1 ATOM 767 O OE1 . GLN 96 96 ? A 13.421 -12.654 -21.880 1.000 1 A 96.997 1 ATOM 768 N NE2 . GLN 96 96 ? A 11.693 -11.300 -22.372 1.000 1 A 96.997 1 ATOM 769 N N . THR 97 97 ? A 15.537 -10.492 -17.416 1.000 1 A 97.158 1 ATOM 770 C CA . THR 97 97 ? A 16.469 -10.805 -16.339 1.000 1 A 97.158 1 ATOM 771 C C . THR 97 97 ? A 15.790 -11.651 -15.265 1.000 1 A 97.158 1 ATOM 772 O O . THR 97 97 ? A 16.357 -12.639 -14.795 1.000 1 A 97.158 1 ATOM 773 C CB . THR 97 97 ? A 17.038 -9.523 -15.703 1.000 1 A 97.158 1 ATOM 774 O OG1 . THR 97 97 ? A 17.806 -8.811 -16.681 1.000 1 A 97.158 1 ATOM 775 C CG2 . THR 97 97 ? A 17.933 -9.851 -14.512 1.000 1 A 97.158 1 ATOM 776 N N . ASP 98 98 ? A 14.555 -11.286 -14.914 1.000 1 A 97.166 1 ATOM 777 C CA . ASP 98 98 ? A 13.833 -12.007 -13.869 1.000 1 A 97.166 1 ATOM 778 C C . ASP 98 98 ? A 13.496 -13.428 -14.315 1.000 1 A 97.166 1 ATOM 779 O O . ASP 98 98 ? A 13.510 -14.357 -13.505 1.000 1 A 97.166 1 ATOM 780 C CB . ASP 98 98 ? A 12.555 -11.258 -13.486 1.000 1 A 97.166 1 ATOM 781 C CG . ASP 98 98 ? A 12.810 -10.086 -12.555 1.000 1 A 97.166 1 ATOM 782 O OD1 . ASP 98 98 ? A 13.983 -9.828 -12.207 1.000 1 A 97.166 1 ATOM 783 O OD2 . ASP 98 98 ? A 11.830 -9.416 -12.164 1.000 1 A 97.166 1 ATOM 784 N N . ARG 99 99 ? A 13.275 -13.532 -15.571 1.000 1 A 95.666 1 ATOM 785 C CA . ARG 99 99 ? A 13.019 -14.863 -16.111 1.000 1 A 95.666 1 ATOM 786 C C . ARG 99 99 ? A 14.215 -15.783 -15.890 1.000 1 A 95.666 1 ATOM 787 O O . ARG 99 99 ? A 14.058 -16.916 -15.430 1.000 1 A 95.666 1 ATOM 788 C CB . ARG 99 99 ? A 12.687 -14.784 -17.603 1.000 1 A 95.666 1 ATOM 789 C CG . ARG 99 99 ? A 12.372 -16.130 -18.236 1.000 1 A 95.666 1 ATOM 790 C CD . ARG 99 99 ? A 12.007 -15.990 -19.707 1.000 1 A 95.666 1 ATOM 791 N NE . ARG 99 99 ? A 11.869 -17.291 -20.355 1.000 1 A 95.666 1 ATOM 792 C CZ . ARG 99 99 ? A 11.362 -17.483 -21.569 1.000 1 A 95.666 1 ATOM 793 N NH1 . ARG 99 99 ? A 10.933 -16.457 -22.295 1.000 1 A 95.666 1 ATOM 794 N NH2 . ARG 99 99 ? A 11.283 -18.710 -22.062 1.000 1 A 95.666 1 ATOM 795 N N . VAL 100 100 ? A 15.319 -15.304 -16.183 1.000 1 A 95.936 1 ATOM 796 C CA . VAL 100 100 ? A 16.546 -16.067 -15.981 1.000 1 A 95.936 1 ATOM 797 C C . VAL 100 100 ? A 16.782 -16.282 -14.488 1.000 1 A 95.936 1 ATOM 798 O O . VAL 100 100 ? A 17.110 -17.390 -14.058 1.000 1 A 95.936 1 ATOM 799 C CB . VAL 100 100 ? A 17.765 -15.362 -16.617 1.000 1 A 95.936 1 ATOM 800 C CG1 . VAL 100 100 ? A 19.060 -16.084 -16.248 1.000 1 A 95.936 1 ATOM 801 C CG2 . VAL 100 100 ? A 17.605 -15.286 -18.134 1.000 1 A 95.936 1 ATOM 802 N N . ASP 101 101 ? A 16.498 -15.309 -13.714 1.000 1 A 97.185 1 ATOM 803 C CA . ASP 101 101 ? A 16.758 -15.364 -12.278 1.000 1 A 97.185 1 ATOM 804 C C . ASP 101 101 ? A 15.843 -16.376 -11.593 1.000 1 A 97.185 1 ATOM 805 O O . ASP 101 101 ? A 16.243 -17.028 -10.626 1.000 1 A 97.185 1 ATOM 806 C CB . ASP 101 101 ? A 16.578 -13.981 -11.647 1.000 1 A 97.185 1 ATOM 807 C CG . ASP 101 101 ? A 17.713 -13.027 -11.976 1.000 1 A 97.185 1 ATOM 808 O OD1 . ASP 101 101 ? A 18.775 -13.484 -12.451 1.000 1 A 97.185 1 ATOM 809 O OD2 . ASP 101 101 ? A 17.544 -11.808 -11.756 1.000 1 A 97.185 1 ATOM 810 N N . LEU 102 102 ? A 14.608 -16.471 -12.079 1.000 1 A 96.158 1 ATOM 811 C CA . LEU 102 102 ? A 13.701 -17.471 -11.526 1.000 1 A 96.158 1 ATOM 812 C C . LEU 102 102 ? A 14.284 -18.872 -11.672 1.000 1 A 96.158 1 ATOM 813 O O . LEU 102 102 ? A 14.203 -19.682 -10.745 1.000 1 A 96.158 1 ATOM 814 C CB . LEU 102 102 ? A 12.337 -17.399 -12.218 1.000 1 A 96.158 1 ATOM 815 C CG . LEU 102 102 ? A 11.384 -16.310 -11.724 1.000 1 A 96.158 1 ATOM 816 C CD1 . LEU 102 102 ? A 10.256 -16.098 -12.729 1.000 1 A 96.158 1 ATOM 817 C CD2 . LEU 102 102 ? A 10.824 -16.671 -10.353 1.000 1 A 96.158 1 ATOM 818 N N . GLY 103 103 ? A 14.912 -19.163 -12.812 1.000 1 A 94.602 1 ATOM 819 C CA . GLY 103 103 ? A 15.586 -20.433 -13.029 1.000 1 A 94.602 1 ATOM 820 C C . GLY 103 103 ? A 16.814 -20.613 -12.156 1.000 1 A 94.602 1 ATOM 821 O O . GLY 103 103 ? A 17.029 -21.688 -11.592 1.000 1 A 94.602 1 ATOM 822 N N . THR 104 104 ? A 17.566 -19.575 -12.034 1.000 1 A 96.843 1 ATOM 823 C CA . THR 104 104 ? A 18.779 -19.600 -11.224 1.000 1 A 96.843 1 ATOM 824 C C . THR 104 104 ? A 18.446 -19.870 -9.759 1.000 1 A 96.843 1 ATOM 825 O O . THR 104 104 ? A 19.045 -20.747 -9.132 1.000 1 A 96.843 1 ATOM 826 C CB . THR 104 104 ? A 19.557 -18.276 -11.340 1.000 1 A 96.843 1 ATOM 827 O OG1 . THR 104 104 ? A 19.978 -18.094 -12.698 1.000 1 A 96.843 1 ATOM 828 C CG2 . THR 104 104 ? A 20.784 -18.277 -10.435 1.000 1 A 96.843 1 ATOM 829 N N . LEU 105 105 ? A 17.464 -19.105 -9.236 1.000 1 A 96.802 1 ATOM 830 C CA . LEU 105 105 ? A 17.109 -19.238 -7.827 1.000 1 A 96.802 1 ATOM 831 C C . LEU 105 105 ? A 16.485 -20.601 -7.549 1.000 1 A 96.802 1 ATOM 832 O O . LEU 105 105 ? A 16.711 -21.187 -6.488 1.000 1 A 96.802 1 ATOM 833 C CB . LEU 105 105 ? A 16.141 -18.127 -7.411 1.000 1 A 96.802 1 ATOM 834 C CG . LEU 105 105 ? A 16.726 -16.716 -7.323 1.000 1 A 96.802 1 ATOM 835 C CD1 . LEU 105 105 ? A 15.612 -15.691 -7.136 1.000 1 A 96.802 1 ATOM 836 C CD2 . LEU 105 105 ? A 17.739 -16.626 -6.187 1.000 1 A 96.802 1 ATOM 837 N N . ARG 106 106 ? A 15.707 -21.030 -8.488 1.000 1 A 94.396 1 ATOM 838 C CA . ARG 106 106 ? A 15.175 -22.382 -8.353 1.000 1 A 94.396 1 ATOM 839 C C . ARG 106 106 ? A 16.299 -23.395 -8.161 1.000 1 A 94.396 1 ATOM 840 O O . ARG 106 106 ? A 16.178 -24.318 -7.352 1.000 1 A 94.396 1 ATOM 841 C CB . ARG 106 106 ? A 14.337 -22.755 -9.578 1.000 1 A 94.396 1 ATOM 842 C CG . ARG 106 106 ? A 13.635 -24.098 -9.458 1.000 1 A 94.396 1 ATOM 843 C CD . ARG 106 106 ? A 12.773 -24.395 -10.677 1.000 1 A 94.396 1 ATOM 844 N NE . ARG 106 106 ? A 13.583 -24.575 -11.879 1.000 1 A 94.396 1 ATOM 845 C CZ . ARG 106 106 ? A 13.193 -24.261 -13.111 1.000 1 A 94.396 1 ATOM 846 N NH1 . ARG 106 106 ? A 11.990 -23.741 -13.329 1.000 1 A 94.396 1 ATOM 847 N NH2 . ARG 106 106 ? A 14.010 -24.467 -14.133 1.000 1 A 94.396 1 ATOM 848 N N . GLY 107 107 ? A 17.331 -23.305 -8.903 1.000 1 A 94.777 1 ATOM 849 C CA . GLY 107 107 ? A 18.496 -24.170 -8.798 1.000 1 A 94.777 1 ATOM 850 C C . GLY 107 107 ? A 19.219 -24.036 -7.471 1.000 1 A 94.777 1 ATOM 851 O O . GLY 107 107 ? A 19.588 -25.039 -6.855 1.000 1 A 94.777 1 ATOM 852 N N . TYR 108 108 ? A 19.383 -22.791 -6.960 1.000 1 A 95.889 1 ATOM 853 C CA . TYR 108 108 ? A 20.074 -22.562 -5.696 1.000 1 A 95.889 1 ATOM 854 C C . TYR 108 108 ? A 19.372 -23.285 -4.552 1.000 1 A 95.889 1 ATOM 855 O O . TYR 108 108 ? A 20.025 -23.803 -3.643 1.000 1 A 95.889 1 ATOM 856 C CB . TYR 108 108 ? A 20.157 -21.063 -5.392 1.000 1 A 95.889 1 ATOM 857 C CG . TYR 108 108 ? A 21.160 -20.325 -6.246 1.000 1 A 95.889 1 ATOM 858 C CD1 . TYR 108 108 ? A 22.005 -21.014 -7.113 1.000 1 A 95.889 1 ATOM 859 C CD2 . TYR 108 108 ? A 21.265 -18.940 -6.187 1.000 1 A 95.889 1 ATOM 860 C CE1 . TYR 108 108 ? A 22.932 -20.339 -7.900 1.000 1 A 95.889 1 ATOM 861 C CE2 . TYR 108 108 ? A 22.188 -18.254 -6.969 1.000 1 A 95.889 1 ATOM 862 C CZ . TYR 108 108 ? A 23.016 -18.961 -7.822 1.000 1 A 95.889 1 ATOM 863 O OH . TYR 108 108 ? A 23.932 -18.288 -8.599 1.000 1 A 95.889 1 ATOM 864 N N . TYR 109 109 ? A 18.064 -23.357 -4.724 1.000 1 A 94.790 1 ATOM 865 C CA . TYR 109 109 ? A 17.286 -23.880 -3.606 1.000 1 A 94.790 1 ATOM 866 C C . TYR 109 109 ? A 16.816 -25.303 -3.887 1.000 1 A 94.790 1 ATOM 867 O O . TYR 109 109 ? A 16.055 -25.877 -3.105 1.000 1 A 94.790 1 ATOM 868 C CB . TYR 109 109 ? A 16.080 -22.979 -3.323 1.000 1 A 94.790 1 ATOM 869 C CG . TYR 109 109 ? A 16.440 -21.678 -2.647 1.000 1 A 94.790 1 ATOM 870 C CD1 . TYR 109 109 ? A 16.598 -21.609 -1.265 1.000 1 A 94.790 1 ATOM 871 C CD2 . TYR 109 109 ? A 16.622 -20.516 -3.389 1.000 1 A 94.790 1 ATOM 872 C CE1 . TYR 109 109 ? A 16.928 -20.412 -0.637 1.000 1 A 94.790 1 ATOM 873 C CE2 . TYR 109 109 ? A 16.952 -19.314 -2.772 1.000 1 A 94.790 1 ATOM 874 C CZ . TYR 109 109 ? A 17.103 -19.272 -1.398 1.000 1 A 94.790 1 ATOM 875 O OH . TYR 109 109 ? A 17.430 -18.084 -0.782 1.000 1 A 94.790 1 ATOM 876 N N . ASN 110 110 ? A 17.206 -25.899 -5.038 1.000 1 A 93.634 1 ATOM 877 C CA . ASN 110 110 ? A 16.855 -27.264 -5.415 1.000 1 A 93.634 1 ATOM 878 C C . ASN 110 110 ? A 15.345 -27.483 -5.385 1.000 1 A 93.634 1 ATOM 879 O O . ASN 110 110 ? A 14.864 -28.447 -4.787 1.000 1 A 93.634 1 ATOM 880 C CB . ASN 110 110 ? A 17.555 -28.271 -4.500 1.000 1 A 93.634 1 ATOM 881 C CG . ASN 110 110 ? A 19.061 -28.266 -4.671 1.000 1 A 93.634 1 ATOM 882 O OD1 . ASN 110 110 ? A 19.572 -28.083 -5.780 1.000 1 A 93.634 1 ATOM 883 N ND2 . ASN 110 110 ? A 19.783 -28.466 -3.575 1.000 1 A 93.634 1 ATOM 884 N N . GLN 111 111 ? A 14.638 -26.571 -5.974 1.000 1 A 92.115 1 ATOM 885 C CA . GLN 111 111 ? A 13.180 -26.620 -6.022 1.000 1 A 92.115 1 ATOM 886 C C . GLN 111 111 ? A 12.694 -27.225 -7.336 1.000 1 A 92.115 1 ATOM 887 O O . GLN 111 111 ? A 13.429 -27.248 -8.325 1.000 1 A 92.115 1 ATOM 888 C CB . GLN 111 111 ? A 12.589 -25.222 -5.837 1.000 1 A 92.115 1 ATOM 889 C CG . GLN 111 111 ? A 12.838 -24.627 -4.457 1.000 1 A 92.115 1 ATOM 890 C CD . GLN 111 111 ? A 12.433 -23.168 -4.365 1.000 1 A 92.115 1 ATOM 891 O OE1 . GLN 111 111 ? A 12.538 -22.418 -5.341 1.000 1 A 92.115 1 ATOM 892 N NE2 . GLN 111 111 ? A 11.968 -22.754 -3.191 1.000 1 A 92.115 1 ATOM 893 N N . SER 112 112 ? A 11.414 -27.730 -7.355 1.000 1 A 88.146 1 ATOM 894 C CA . SER 112 112 ? A 10.846 -28.402 -8.519 1.000 1 A 88.146 1 ATOM 895 C C . SER 112 112 ? A 10.328 -27.394 -9.540 1.000 1 A 88.146 1 ATOM 896 O O . SER 112 112 ? A 10.000 -26.259 -9.189 1.000 1 A 88.146 1 ATOM 897 C CB . SER 112 112 ? A 9.715 -29.341 -8.098 1.000 1 A 88.146 1 ATOM 898 O OG . SER 112 112 ? A 8.515 -28.619 -7.883 1.000 1 A 88.146 1 ATOM 899 N N . GLU 113 113 ? A 10.268 -27.850 -10.806 1.000 1 A 85.931 1 ATOM 900 C CA . GLU 113 113 ? A 9.760 -27.045 -11.912 1.000 1 A 85.931 1 ATOM 901 C C . GLU 113 113 ? A 8.247 -26.870 -11.817 1.000 1 A 85.931 1 ATOM 902 O O . GLU 113 113 ? A 7.682 -25.961 -12.430 1.000 1 A 85.931 1 ATOM 903 C CB . GLU 113 113 ? A 10.133 -27.678 -13.254 1.000 1 A 85.931 1 ATOM 904 C CG . GLU 113 113 ? A 11.607 -27.544 -13.608 1.000 1 A 85.931 1 ATOM 905 C CD . GLU 113 113 ? A 11.927 -27.995 -15.025 1.000 1 A 85.931 1 ATOM 906 O OE1 . GLU 113 113 ? A 13.091 -27.843 -15.461 1.000 1 A 85.931 1 ATOM 907 O OE2 . GLU 113 113 ? A 11.007 -28.502 -15.704 1.000 1 A 85.931 1 ATOM 908 N N . ALA 114 114 ? A 7.640 -27.749 -11.036 1.000 1 A 85.691 1 ATOM 909 C CA . ALA 114 114 ? A 6.182 -27.746 -10.947 1.000 1 A 85.691 1 ATOM 910 C C . ALA 114 114 ? A 5.694 -26.684 -9.967 1.000 1 A 85.691 1 ATOM 911 O O . ALA 114 114 ? A 4.519 -26.310 -9.981 1.000 1 A 85.691 1 ATOM 912 C CB . ALA 114 114 ? A 5.672 -29.124 -10.532 1.000 1 A 85.691 1 ATOM 913 N N . GLY 115 115 ? A 6.636 -26.198 -9.171 1.000 1 A 85.276 1 ATOM 914 C CA . GLY 115 115 ? A 6.251 -25.203 -8.183 1.000 1 A 85.276 1 ATOM 915 C C . GLY 115 115 ? A 6.196 -23.795 -8.744 1.000 1 A 85.276 1 ATOM 916 O O . GLY 115 115 ? A 6.890 -23.479 -9.713 1.000 1 A 85.276 1 ATOM 917 N N . SER 116 116 ? A 5.282 -22.938 -8.260 1.000 1 A 89.318 1 ATOM 918 C CA . SER 116 116 ? A 5.198 -21.518 -8.585 1.000 1 A 89.318 1 ATOM 919 C C . SER 116 116 ? A 6.062 -20.684 -7.645 1.000 1 A 89.318 1 ATOM 920 O O . SER 116 116 ? A 5.948 -20.797 -6.423 1.000 1 A 89.318 1 ATOM 921 C CB . SER 116 116 ? A 3.748 -21.038 -8.518 1.000 1 A 89.318 1 ATOM 922 O OG . SER 116 116 ? A 3.655 -19.667 -8.864 1.000 1 A 89.318 1 ATOM 923 N N . HIS 117 117 ? A 6.979 -19.917 -8.224 1.000 1 A 93.677 1 ATOM 924 C CA . HIS 117 117 ? A 7.931 -19.134 -7.443 1.000 1 A 93.677 1 ATOM 925 C C . HIS 117 117 ? A 7.869 -17.658 -7.820 1.000 1 A 93.677 1 ATOM 926 O O . HIS 117 117 ? A 7.542 -17.316 -8.959 1.000 1 A 93.677 1 ATOM 927 C CB . HIS 117 117 ? A 9.351 -19.667 -7.638 1.000 1 A 93.677 1 ATOM 928 C CG . HIS 117 117 ? A 9.499 -21.117 -7.300 1.000 1 A 93.677 1 ATOM 929 N ND1 . HIS 117 117 ? A 9.446 -21.588 -6.006 1.000 1 A 93.677 1 ATOM 930 C CD2 . HIS 117 117 ? A 9.697 -22.198 -8.091 1.000 1 A 93.677 1 ATOM 931 C CE1 . HIS 117 117 ? A 9.606 -22.901 -6.016 1.000 1 A 93.677 1 ATOM 932 N NE2 . HIS 117 117 ? A 9.759 -23.296 -7.268 1.000 1 A 93.677 1 ATOM 933 N N . THR 118 118 ? A 8.170 -16.816 -6.813 1.000 1 A 95.810 1 ATOM 934 C CA . THR 118 118 ? A 7.996 -15.378 -6.990 1.000 1 A 95.810 1 ATOM 935 C C . THR 118 118 ? A 9.283 -14.631 -6.650 1.000 1 A 95.810 1 ATOM 936 O O . THR 118 118 ? A 9.932 -14.929 -5.645 1.000 1 A 95.810 1 ATOM 937 C CB . THR 118 118 ? A 6.844 -14.844 -6.120 1.000 1 A 95.810 1 ATOM 938 O OG1 . THR 118 118 ? A 5.640 -15.551 -6.445 1.000 1 A 95.810 1 ATOM 939 C CG2 . THR 118 118 ? A 6.622 -13.353 -6.355 1.000 1 A 95.810 1 ATOM 940 N N . ILE 119 119 ? A 9.705 -13.750 -7.501 1.000 1 A 97.760 1 ATOM 941 C CA . ILE 119 119 ? A 10.737 -12.757 -7.223 1.000 1 A 97.760 1 ATOM 942 C C . ILE 119 119 ? A 10.096 -11.383 -7.040 1.000 1 A 97.760 1 ATOM 943 O O . ILE 119 119 ? A 9.249 -10.976 -7.838 1.000 1 A 97.760 1 ATOM 944 C CB . ILE 119 119 ? A 11.794 -12.710 -8.350 1.000 1 A 97.760 1 ATOM 945 C CG1 . ILE 119 119 ? A 12.569 -14.031 -8.410 1.000 1 A 97.760 1 ATOM 946 C CG2 . ILE 119 119 ? A 12.744 -11.526 -8.150 1.000 1 A 97.760 1 ATOM 947 C CD1 . ILE 119 119 ? A 13.535 -14.130 -9.583 1.000 1 A 97.760 1 ATOM 948 N N . GLN 120 120 ? A 10.423 -10.719 -5.921 1.000 1 A 98.185 1 ATOM 949 C CA . GLN 120 120 ? A 9.972 -9.357 -5.655 1.000 1 A 98.185 1 ATOM 950 C C . GLN 120 120 ? A 11.155 -8.423 -5.414 1.000 1 A 98.185 1 ATOM 951 O O . GLN 120 120 ? A 12.084 -8.766 -4.679 1.000 1 A 98.185 1 ATOM 952 C CB . GLN 120 120 ? A 9.028 -9.328 -4.453 1.000 1 A 98.185 1 ATOM 953 C CG . GLN 120 120 ? A 7.767 -10.162 -4.641 1.000 1 A 98.185 1 ATOM 954 C CD . GLN 120 120 ? A 6.992 -10.354 -3.351 1.000 1 A 98.185 1 ATOM 955 O OE1 . GLN 120 120 ? A 7.038 -11.425 -2.737 1.000 1 A 98.185 1 ATOM 956 N NE2 . GLN 120 120 ? A 6.273 -9.318 -2.931 1.000 1 A 98.185 1 ATOM 957 N N . ILE 121 121 ? A 11.139 -7.255 -6.161 1.000 1 A 98.170 1 ATOM 958 C CA . ILE 121 121 ? A 12.188 -6.250 -6.025 1.000 1 A 98.170 1 ATOM 959 C C . ILE 121 121 ? A 11.566 -4.902 -5.666 1.000 1 A 98.170 1 ATOM 960 O O . ILE 121 121 ? A 10.628 -4.448 -6.326 1.000 1 A 98.170 1 ATOM 961 C CB . ILE 121 121 ? A 13.025 -6.127 -7.318 1.000 1 A 98.170 1 ATOM 962 C CG1 . ILE 121 121 ? A 13.619 -7.487 -7.700 1.000 1 A 98.170 1 ATOM 963 C CG2 . ILE 121 121 ? A 14.126 -5.076 -7.151 1.000 1 A 98.170 1 ATOM 964 C CD1 . ILE 121 121 ? A 14.273 -7.513 -9.075 1.000 1 A 98.170 1 ATOM 965 N N . MET 122 122 ? A 12.124 -4.311 -4.589 1.000 1 A 97.926 1 ATOM 966 C CA . MET 122 122 ? A 11.798 -2.926 -4.260 1.000 1 A 97.926 1 ATOM 967 C C . MET 122 122 ? A 13.050 -2.055 -4.273 1.000 1 A 97.926 1 ATOM 968 O O . MET 122 122 ? A 14.048 -2.385 -3.631 1.000 1 A 97.926 1 ATOM 969 C CB . MET 122 122 ? A 11.118 -2.843 -2.893 1.000 1 A 97.926 1 ATOM 970 C CG . MET 122 122 ? A 10.693 -1.436 -2.504 1.000 1 A 97.926 1 ATOM 971 S SD . MET 122 122 ? A 12.042 -0.493 -1.692 1.000 1 A 97.926 1 ATOM 972 C CE . MET 122 122 ? A 12.264 -1.484 -0.188 1.000 1 A 97.926 1 ATOM 973 N N . TYR 123 123 ? A 13.006 -1.027 -5.080 1.000 1 A 97.897 1 ATOM 974 C CA . TYR 123 123 ? A 14.137 -0.106 -5.077 1.000 1 A 97.897 1 ATOM 975 C C . TYR 123 123 ? A 13.675 1.326 -5.323 1.000 1 A 97.897 1 ATOM 976 O O . TYR 123 123 ? A 12.574 1.550 -5.833 1.000 1 A 97.897 1 ATOM 977 C CB . TYR 123 123 ? A 15.164 -0.511 -6.138 1.000 1 A 97.897 1 ATOM 978 C CG . TYR 123 123 ? A 14.705 -0.262 -7.555 1.000 1 A 97.897 1 ATOM 979 C CD1 . TYR 123 123 ? A 13.774 -1.100 -8.163 1.000 1 A 97.897 1 ATOM 980 C CD2 . TYR 123 123 ? A 15.202 0.811 -8.287 1.000 1 A 97.897 1 ATOM 981 C CE1 . TYR 123 123 ? A 13.349 -0.875 -9.469 1.000 1 A 97.897 1 ATOM 982 C CE2 . TYR 123 123 ? A 14.785 1.045 -9.593 1.000 1 A 97.897 1 ATOM 983 C CZ . TYR 123 123 ? A 13.859 0.198 -10.174 1.000 1 A 97.897 1 ATOM 984 O OH . TYR 123 123 ? A 13.442 0.425 -11.467 1.000 1 A 97.897 1 ATOM 985 N N . GLY 124 124 ? A 14.491 2.270 -4.848 1.000 1 A 97.999 1 ATOM 986 C CA . GLY 124 124 ? A 14.165 3.680 -4.990 1.000 1 A 97.999 1 ATOM 987 C C . GLY 124 124 ? A 14.975 4.575 -4.072 1.000 1 A 97.999 1 ATOM 988 O O . GLY 124 124 ? A 16.030 4.173 -3.578 1.000 1 A 97.999 1 ATOM 989 N N . CYS 125 125 ? A 14.475 5.873 -3.982 1.000 1 A 98.371 1 ATOM 990 C CA . CYS 125 125 ? A 15.222 6.837 -3.182 1.000 1 A 98.371 1 ATOM 991 C C . CYS 125 125 ? A 14.279 7.729 -2.383 1.000 1 A 98.371 1 ATOM 992 O O . CYS 125 125 ? A 13.086 7.803 -2.682 1.000 1 A 98.371 1 ATOM 993 C CB . CYS 125 125 ? A 16.118 7.696 -4.074 1.000 1 A 98.371 1 ATOM 994 S SG . CYS 125 125 ? A 15.207 8.715 -5.255 1.000 1 A 98.371 1 ATOM 995 N N . ASP 126 126 ? A 14.789 8.356 -1.330 1.000 1 A 97.514 1 ATOM 996 C CA . ASP 126 126 ? A 14.096 9.354 -0.521 1.000 1 A 97.514 1 ATOM 997 C C . ASP 126 126 ? A 14.810 10.702 -0.583 1.000 1 A 97.514 1 ATOM 998 O O . ASP 126 126 ? A 16.042 10.760 -0.582 1.000 1 A 97.514 1 ATOM 999 C CB . ASP 126 126 ? A 13.984 8.884 0.931 1.000 1 A 97.514 1 ATOM 1000 C CG . ASP 126 126 ? A 13.135 7.635 1.086 1.000 1 A 97.514 1 ATOM 1001 O OD1 . ASP 126 126 ? A 12.459 7.232 0.115 1.000 1 A 97.514 1 ATOM 1002 O OD2 . ASP 126 126 ? A 13.139 7.050 2.191 1.000 1 A 97.514 1 ATOM 1003 N N . VAL 127 127 ? A 14.009 11.767 -0.623 1.000 1 A 96.576 1 ATOM 1004 C CA . VAL 127 127 ? A 14.571 13.111 -0.542 1.000 1 A 96.576 1 ATOM 1005 C C . VAL 127 127 ? A 13.895 13.887 0.587 1.000 1 A 96.576 1 ATOM 1006 O O . VAL 127 127 ? A 12.762 13.582 0.966 1.000 1 A 96.576 1 ATOM 1007 C CB . VAL 127 127 ? A 14.417 13.872 -1.878 1.000 1 A 96.576 1 ATOM 1008 C CG1 . VAL 127 127 ? A 15.171 13.157 -2.997 1.000 1 A 96.576 1 ATOM 1009 C CG2 . VAL 127 127 ? A 12.940 14.024 -2.238 1.000 1 A 96.576 1 ATOM 1010 N N . GLY 128 128 ? A 14.704 14.715 1.217 1.000 1 A 93.730 1 ATOM 1011 C CA . GLY 128 128 ? A 14.143 15.587 2.236 1.000 1 A 93.730 1 ATOM 1012 C C . GLY 128 128 ? A 13.304 16.713 1.663 1.000 1 A 93.730 1 ATOM 1013 O O . GLY 128 128 ? A 13.102 16.788 0.449 1.000 1 A 93.730 1 ATOM 1014 N N . SER 129 129 ? A 12.818 17.523 2.477 1.000 1 A 87.519 1 ATOM 1015 C CA . SER 129 129 ? A 11.989 18.650 2.061 1.000 1 A 87.519 1 ATOM 1016 C C . SER 129 129 ? A 12.771 19.615 1.176 1.000 1 A 87.519 1 ATOM 1017 O O . SER 129 129 ? A 12.190 20.303 0.334 1.000 1 A 87.519 1 ATOM 1018 C CB . SER 129 129 ? A 11.443 19.393 3.282 1.000 1 A 87.519 1 ATOM 1019 O OG . SER 129 129 ? A 12.501 19.834 4.116 1.000 1 A 87.519 1 ATOM 1020 N N . ASP 130 130 ? A 14.073 19.643 1.387 1.000 1 A 89.267 1 ATOM 1021 C CA . ASP 130 130 ? A 14.928 20.546 0.621 1.000 1 A 89.267 1 ATOM 1022 C C . ASP 130 130 ? A 15.339 19.917 -0.708 1.000 1 A 89.267 1 ATOM 1023 O O . ASP 130 130 ? A 16.071 20.528 -1.490 1.000 1 A 89.267 1 ATOM 1024 C CB . ASP 130 130 ? A 16.171 20.923 1.431 1.000 1 A 89.267 1 ATOM 1025 C CG . ASP 130 130 ? A 17.003 19.719 1.836 1.000 1 A 89.267 1 ATOM 1026 O OD1 . ASP 130 130 ? A 16.585 18.572 1.570 1.000 1 A 89.267 1 ATOM 1027 O OD2 . ASP 130 130 ? A 18.085 19.920 2.429 1.000 1 A 89.267 1 ATOM 1028 N N . GLY 131 131 ? A 14.909 18.659 -0.928 1.000 1 A 90.583 1 ATOM 1029 C CA . GLY 131 131 ? A 15.217 17.979 -2.175 1.000 1 A 90.583 1 ATOM 1030 C C . GLY 131 131 ? A 16.527 17.215 -2.131 1.000 1 A 90.583 1 ATOM 1031 O O . GLY 131 131 ? A 16.945 16.631 -3.133 1.000 1 A 90.583 1 ATOM 1032 N N . ARG 132 132 ? A 17.169 17.223 -0.961 1.000 1 A 94.467 1 ATOM 1033 C CA . ARG 132 132 ? A 18.449 16.538 -0.808 1.000 1 A 94.467 1 ATOM 1034 C C . ARG 132 132 ? A 18.246 15.047 -0.557 1.000 1 A 94.467 1 ATOM 1035 O O . ARG 132 132 ? A 17.271 14.648 0.083 1.000 1 A 94.467 1 ATOM 1036 C CB . ARG 132 132 ? A 19.257 17.156 0.335 1.000 1 A 94.467 1 ATOM 1037 C CG . ARG 132 132 ? A 19.794 18.545 0.029 1.000 1 A 94.467 1 ATOM 1038 C CD . ARG 132 132 ? A 20.697 19.059 1.142 1.000 1 A 94.467 1 ATOM 1039 N NE . ARG 132 132 ? A 21.006 20.476 0.974 1.000 1 A 94.467 1 ATOM 1040 C CZ . ARG 132 132 ? A 21.600 21.236 1.890 1.000 1 A 94.467 1 ATOM 1041 N NH1 . ARG 132 132 ? A 21.962 20.726 3.062 1.000 1 A 94.467 1 ATOM 1042 N NH2 . ARG 132 132 ? A 21.834 22.514 1.633 1.000 1 A 94.467 1 ATOM 1043 N N . PHE 133 133 ? A 19.223 14.292 -1.100 1.000 1 A 97.132 1 ATOM 1044 C CA . PHE 133 133 ? A 19.223 12.840 -0.962 1.000 1 A 97.132 1 ATOM 1045 C C . PHE 133 133 ? A 19.236 12.435 0.507 1.000 1 A 97.132 1 ATOM 1046 O O . PHE 133 133 ? A 20.075 12.905 1.278 1.000 1 A 97.132 1 ATOM 1047 C CB . PHE 133 133 ? A 20.429 12.231 -1.685 1.000 1 A 97.132 1 ATOM 1048 C CG . PHE 133 133 ? A 20.538 10.738 -1.532 1.000 1 A 97.132 1 ATOM 1049 C CD1 . PHE 133 133 ? A 21.519 10.178 -0.723 1.000 1 A 97.132 1 ATOM 1050 C CD2 . PHE 133 133 ? A 19.658 9.894 -2.197 1.000 1 A 97.132 1 ATOM 1051 C CE1 . PHE 133 133 ? A 21.623 8.796 -0.579 1.000 1 A 97.132 1 ATOM 1052 C CE2 . PHE 133 133 ? A 19.755 8.512 -2.058 1.000 1 A 97.132 1 ATOM 1053 C CZ . PHE 133 133 ? A 20.739 7.965 -1.249 1.000 1 A 97.132 1 ATOM 1054 N N . LEU 134 134 ? A 18.322 11.587 0.943 1.000 1 A 96.567 1 ATOM 1055 C CA . LEU 134 134 ? A 18.255 11.073 2.307 1.000 1 A 96.567 1 ATOM 1056 C C . LEU 134 134 ? A 18.707 9.618 2.362 1.000 1 A 96.567 1 ATOM 1057 O O . LEU 134 134 ? A 19.648 9.283 3.086 1.000 1 A 96.567 1 ATOM 1058 C CB . LEU 134 134 ? A 16.831 11.198 2.857 1.000 1 A 96.567 1 ATOM 1059 C CG . LEU 134 134 ? A 16.342 12.616 3.155 1.000 1 A 96.567 1 ATOM 1060 C CD1 . LEU 134 134 ? A 14.929 12.580 3.728 1.000 1 A 96.567 1 ATOM 1061 C CD2 . LEU 134 134 ? A 17.295 13.320 4.115 1.000 1 A 96.567 1 ATOM 1062 N N . ARG 135 135 ? A 18.169 8.825 1.476 1.000 1 A 96.608 1 ATOM 1063 C CA . ARG 135 135 ? A 18.564 7.420 1.480 1.000 1 A 96.608 1 ATOM 1064 C C . ARG 135 135 ? A 18.063 6.707 0.228 1.000 1 A 96.608 1 ATOM 1065 O O . ARG 135 135 ? A 17.102 7.153 -0.404 1.000 1 A 96.608 1 ATOM 1066 C CB . ARG 135 135 ? A 18.034 6.716 2.731 1.000 1 A 96.608 1 ATOM 1067 C CG . ARG 135 135 ? A 16.521 6.567 2.760 1.000 1 A 96.608 1 ATOM 1068 C CD . ARG 135 135 ? A 16.052 5.823 4.003 1.000 1 A 96.608 1 ATOM 1069 N NE . ARG 135 135 ? A 14.599 5.676 4.026 1.000 1 A 96.608 1 ATOM 1070 C CZ . ARG 135 135 ? A 13.918 5.023 4.964 1.000 1 A 96.608 1 ATOM 1071 N NH1 . ARG 135 135 ? A 14.548 4.441 5.978 1.000 1 A 96.608 1 ATOM 1072 N NH2 . ARG 135 135 ? A 12.597 4.951 4.887 1.000 1 A 96.608 1 ATOM 1073 N N . GLY 136 136 ? A 18.744 5.693 -0.174 1.000 1 A 97.584 1 ATOM 1074 C CA . GLY 136 136 ? A 18.408 4.774 -1.250 1.000 1 A 97.584 1 ATOM 1075 C C . GLY 136 136 ? A 18.296 3.333 -0.791 1.000 1 A 97.584 1 ATOM 1076 O O . GLY 136 136 ? A 18.845 2.963 0.249 1.000 1 A 97.584 1 ATOM 1077 N N . TYR 137 137 ? A 17.478 2.594 -1.521 1.000 1 A 96.351 1 ATOM 1078 C CA . TYR 137 137 ? A 17.344 1.204 -1.101 1.000 1 A 96.351 1 ATOM 1079 C C . TYR 137 137 ? A 17.078 0.296 -2.296 1.000 1 A 96.351 1 ATOM 1080 O O . TYR 137 137 ? A 16.631 0.759 -3.348 1.000 1 A 96.351 1 ATOM 1081 C CB . TYR 137 137 ? A 16.217 1.058 -0.074 1.000 1 A 96.351 1 ATOM 1082 C CG . TYR 137 137 ? A 14.979 1.851 -0.416 1.000 1 A 96.351 1 ATOM 1083 C CD1 . TYR 137 137 ? A 14.794 3.139 0.081 1.000 1 A 96.351 1 ATOM 1084 C CD2 . TYR 137 137 ? A 13.991 1.314 -1.235 1.000 1 A 96.351 1 ATOM 1085 C CE1 . TYR 137 137 ? A 13.653 3.873 -0.230 1.000 1 A 96.351 1 ATOM 1086 C CE2 . TYR 137 137 ? A 12.847 2.038 -1.551 1.000 1 A 96.351 1 ATOM 1087 C CZ . TYR 137 137 ? A 12.687 3.315 -1.045 1.000 1 A 96.351 1 ATOM 1088 O OH . TYR 137 137 ? A 11.556 4.037 -1.356 1.000 1 A 96.351 1 ATOM 1089 N N . ARG 138 138 ? A 17.586 -0.961 -2.206 1.000 1 A 97.783 1 ATOM 1090 C CA . ARG 138 138 ? A 17.260 -2.125 -3.024 1.000 1 A 97.783 1 ATOM 1091 C C . ARG 138 138 ? A 17.086 -3.370 -2.160 1.000 1 A 97.783 1 ATOM 1092 O O . ARG 138 138 ? A 18.007 -3.770 -1.446 1.000 1 A 97.783 1 ATOM 1093 C CB . ARG 138 138 ? A 18.346 -2.364 -4.075 1.000 1 A 97.783 1 ATOM 1094 C CG . ARG 138 138 ? A 18.177 -3.661 -4.851 1.000 1 A 97.783 1 ATOM 1095 C CD . ARG 138 138 ? A 17.171 -3.514 -5.984 1.000 1 A 97.783 1 ATOM 1096 N NE . ARG 138 138 ? A 17.128 -4.706 -6.825 1.000 1 A 97.783 1 ATOM 1097 C CZ . ARG 138 138 ? A 16.253 -4.912 -7.805 1.000 1 A 97.783 1 ATOM 1098 N NH1 . ARG 138 138 ? A 15.325 -4.004 -8.087 1.000 1 A 97.783 1 ATOM 1099 N NH2 . ARG 138 138 ? A 16.304 -6.033 -8.508 1.000 1 A 97.783 1 ATOM 1100 N N . GLN 139 139 ? A 15.872 -3.878 -2.254 1.000 1 A 98.156 1 ATOM 1101 C CA . GLN 139 139 ? A 15.565 -5.110 -1.535 1.000 1 A 98.156 1 ATOM 1102 C C . GLN 139 139 ? A 14.943 -6.148 -2.464 1.000 1 A 98.156 1 ATOM 1103 O O . GLN 139 139 ? A 14.031 -5.835 -3.232 1.000 1 A 98.156 1 ATOM 1104 C CB . GLN 139 139 ? A 14.627 -4.827 -0.360 1.000 1 A 98.156 1 ATOM 1105 C CG . GLN 139 139 ? A 15.216 -3.887 0.684 1.000 1 A 98.156 1 ATOM 1106 C CD . GLN 139 139 ? A 14.257 -3.605 1.826 1.000 1 A 98.156 1 ATOM 1107 O OE1 . GLN 139 139 ? A 13.202 -4.237 1.939 1.000 1 A 98.156 1 ATOM 1108 N NE2 . GLN 139 139 ? A 14.616 -2.652 2.679 1.000 1 A 98.156 1 ATOM 1109 N N . ASP 140 140 ? A 15.460 -7.343 -2.322 1.000 1 A 98.260 1 ATOM 1110 C CA . ASP 140 140 ? A 14.955 -8.442 -3.138 1.000 1 A 98.260 1 ATOM 1111 C C . ASP 140 140 ? A 14.395 -9.562 -2.264 1.000 1 A 98.260 1 ATOM 1112 O O . ASP 140 140 ? A 14.993 -9.923 -1.248 1.000 1 A 98.260 1 ATOM 1113 C CB . ASP 140 140 ? A 16.059 -8.987 -4.047 1.000 1 A 98.260 1 ATOM 1114 C CG . ASP 140 140 ? A 16.609 -7.943 -5.003 1.000 1 A 98.260 1 ATOM 1115 O OD1 . ASP 140 140 ? A 16.658 -6.748 -4.639 1.000 1 A 98.260 1 ATOM 1116 O OD2 . ASP 140 140 ? A 16.993 -8.318 -6.132 1.000 1 A 98.260 1 ATOM 1117 N N . ALA 141 141 ? A 13.256 -10.073 -2.698 1.000 1 A 98.107 1 ATOM 1118 C CA . ALA 141 141 ? A 12.646 -11.216 -2.024 1.000 1 A 98.107 1 ATOM 1119 C C . ALA 141 141 ? A 12.456 -12.384 -2.988 1.000 1 A 98.107 1 ATOM 1120 O O . ALA 141 141 ? A 12.340 -12.184 -4.200 1.000 1 A 98.107 1 ATOM 1121 C CB . ALA 141 141 ? A 11.308 -10.817 -1.406 1.000 1 A 98.107 1 ATOM 1122 N N . TYR 142 142 ? A 12.514 -13.613 -2.446 1.000 1 A 97.544 1 ATOM 1123 C CA . TYR 142 142 ? A 12.207 -14.838 -3.174 1.000 1 A 97.544 1 ATOM 1124 C C . TYR 142 142 ? A 11.189 -15.683 -2.417 1.000 1 A 97.544 1 ATOM 1125 O O . TYR 142 142 ? A 11.414 -16.050 -1.262 1.000 1 A 97.544 1 ATOM 1126 C CB . TYR 142 142 ? A 13.482 -15.652 -3.418 1.000 1 A 97.544 1 ATOM 1127 C CG . TYR 142 142 ? A 13.257 -16.905 -4.229 1.000 1 A 97.544 1 ATOM 1128 C CD1 . TYR 142 142 ? A 13.475 -18.165 -3.677 1.000 1 A 97.544 1 ATOM 1129 C CD2 . TYR 142 142 ? A 12.826 -16.831 -5.550 1.000 1 A 97.544 1 ATOM 1130 C CE1 . TYR 142 142 ? A 13.270 -19.322 -4.421 1.000 1 A 97.544 1 ATOM 1131 C CE2 . TYR 142 142 ? A 12.619 -17.982 -6.304 1.000 1 A 97.544 1 ATOM 1132 C CZ . TYR 142 142 ? A 12.842 -19.221 -5.731 1.000 1 A 97.544 1 ATOM 1133 O OH . TYR 142 142 ? A 12.638 -20.363 -6.473 1.000 1 A 97.544 1 ATOM 1134 N N . ASP 143 143 ? A 10.054 -15.884 -3.022 1.000 1 A 95.419 1 ATOM 1135 C CA . ASP 143 143 ? A 8.953 -16.673 -2.478 1.000 1 A 95.419 1 ATOM 1136 C C . ASP 143 143 ? A 8.469 -16.097 -1.149 1.000 1 A 95.419 1 ATOM 1137 O O . ASP 143 143 ? A 8.179 -16.844 -0.211 1.000 1 A 95.419 1 ATOM 1138 C CB . ASP 143 143 ? A 9.376 -18.132 -2.296 1.000 1 A 95.419 1 ATOM 1139 C CG . ASP 143 143 ? A 9.411 -18.906 -3.602 1.000 1 A 95.419 1 ATOM 1140 O OD1 . ASP 143 143 ? A 8.914 -18.395 -4.628 1.000 1 A 95.419 1 ATOM 1141 O OD2 . ASP 143 143 ? A 9.938 -20.040 -3.604 1.000 1 A 95.419 1 ATOM 1142 N N . GLY 144 144 ? A 8.462 -14.727 -1.086 1.000 1 A 94.951 1 ATOM 1143 C CA . GLY 144 144 ? A 7.866 -14.019 0.036 1.000 1 A 94.951 1 ATOM 1144 C C . GLY 144 144 ? A 8.828 -13.812 1.190 1.000 1 A 94.951 1 ATOM 1145 O O . GLY 144 144 ? A 8.435 -13.331 2.254 1.000 1 A 94.951 1 ATOM 1146 N N . LYS 145 145 ? A 10.140 -14.220 0.978 1.000 1 A 95.436 1 ATOM 1147 C CA . LYS 145 145 ? A 11.145 -14.074 2.027 1.000 1 A 95.436 1 ATOM 1148 C C . LYS 145 145 ? A 12.279 -13.157 1.578 1.000 1 A 95.436 1 ATOM 1149 O O . LYS 145 145 ? A 12.579 -13.070 0.385 1.000 1 A 95.436 1 ATOM 1150 C CB . LYS 145 145 ? A 11.704 -15.440 2.429 1.000 1 A 95.436 1 ATOM 1151 C CG . LYS 145 145 ? A 10.675 -16.369 3.056 1.000 1 A 95.436 1 ATOM 1152 C CD . LYS 145 145 ? A 11.293 -17.706 3.445 1.000 1 A 95.436 1 ATOM 1153 C CE . LYS 145 145 ? A 10.259 -18.648 4.046 1.000 1 A 95.436 1 ATOM 1154 N NZ . LYS 145 145 ? A 10.858 -19.964 4.420 1.000 1 A 95.436 1 ATOM 1155 N N . ASP 146 146 ? A 12.855 -12.484 2.624 1.000 1 A 97.155 1 ATOM 1156 C CA . ASP 146 146 ? A 14.044 -11.700 2.303 1.000 1 A 97.155 1 ATOM 1157 C C . ASP 146 146 ? A 15.090 -12.555 1.591 1.000 1 A 97.155 1 ATOM 1158 O O . ASP 146 146 ? A 15.326 -13.703 1.974 1.000 1 A 97.155 1 ATOM 1159 C CB . ASP 146 146 ? A 14.641 -11.086 3.571 1.000 1 A 97.155 1 ATOM 1160 C CG . ASP 146 146 ? A 13.760 -10.009 4.180 1.000 1 A 97.155 1 ATOM 1161 O OD1 . ASP 146 146 ? A 13.021 -9.332 3.433 1.000 1 A 97.155 1 ATOM 1162 O OD2 . ASP 146 146 ? A 13.809 -9.834 5.416 1.000 1 A 97.155 1 ATOM 1163 N N . TYR 147 147 ? A 15.752 -12.079 0.550 1.000 1 A 98.109 1 ATOM 1164 C CA . TYR 147 147 ? A 16.794 -12.786 -0.186 1.000 1 A 98.109 1 ATOM 1165 C C . TYR 147 147 ? A 18.121 -12.041 -0.103 1.000 1 A 98.109 1 ATOM 1166 O O . TYR 147 147 ? A 19.096 -12.555 0.451 1.000 1 A 98.109 1 ATOM 1167 C CB . TYR 147 147 ? A 16.388 -12.968 -1.651 1.000 1 A 98.109 1 ATOM 1168 C CG . TYR 147 147 ? A 17.425 -13.681 -2.484 1.000 1 A 98.109 1 ATOM 1169 C CD1 . TYR 147 147 ? A 18.076 -13.030 -3.530 1.000 1 A 98.109 1 ATOM 1170 C CD2 . TYR 147 147 ? A 17.756 -15.008 -2.229 1.000 1 A 98.109 1 ATOM 1171 C CE1 . TYR 147 147 ? A 19.031 -13.684 -4.302 1.000 1 A 98.109 1 ATOM 1172 C CE2 . TYR 147 147 ? A 18.709 -15.672 -2.994 1.000 1 A 98.109 1 ATOM 1173 C CZ . TYR 147 147 ? A 19.341 -15.003 -4.026 1.000 1 A 98.109 1 ATOM 1174 O OH . TYR 147 147 ? A 20.285 -15.655 -4.787 1.000 1 A 98.109 1 ATOM 1175 N N . ILE 148 148 ? A 18.200 -10.762 -0.513 1.000 1 A 98.588 1 ATOM 1176 C CA . ILE 148 148 ? A 19.397 -9.929 -0.469 1.000 1 A 98.588 1 ATOM 1177 C C . ILE 148 148 ? A 18.998 -8.455 -0.427 1.000 1 A 98.588 1 ATOM 1178 O O . ILE 148 148 ? A 17.997 -8.059 -1.030 1.000 1 A 98.588 1 ATOM 1179 C CB . ILE 148 148 ? A 20.320 -10.200 -1.678 1.000 1 A 98.588 1 ATOM 1180 C CG1 . ILE 148 148 ? A 21.700 -9.574 -1.447 1.000 1 A 98.588 1 ATOM 1181 C CG2 . ILE 148 148 ? A 19.688 -9.672 -2.969 1.000 1 A 98.588 1 ATOM 1182 C CD1 . ILE 148 148 ? A 22.774 -10.072 -2.404 1.000 1 A 98.588 1 ATOM 1183 N N . ALA 149 149 ? A 19.757 -7.673 0.346 1.000 1 A 98.466 1 ATOM 1184 C CA . ALA 149 149 ? A 19.437 -6.257 0.511 1.000 1 A 98.466 1 ATOM 1185 C C . ALA 149 149 ? A 20.700 -5.402 0.478 1.000 1 A 98.466 1 ATOM 1186 O O . ALA 149 149 ? A 21.713 -5.755 1.087 1.000 1 A 98.466 1 ATOM 1187 C CB . ALA 149 149 ? A 18.680 -6.032 1.817 1.000 1 A 98.466 1 ATOM 1188 N N . LEU 150 150 ? A 20.562 -4.263 -0.257 1.000 1 A 98.491 1 ATOM 1189 C CA . LEU 150 150 ? A 21.614 -3.252 -0.235 1.000 1 A 98.491 1 ATOM 1190 C C . LEU 150 150 ? A 21.625 -2.507 1.095 1.000 1 A 98.491 1 ATOM 1191 O O . LEU 150 150 ? A 20.602 -1.959 1.513 1.000 1 A 98.491 1 ATOM 1192 C CB . LEU 150 150 ? A 21.428 -2.261 -1.387 1.000 1 A 98.491 1 ATOM 1193 C CG . LEU 150 150 ? A 22.496 -1.175 -1.526 1.000 1 A 98.491 1 ATOM 1194 C CD1 . LEU 150 150 ? A 23.849 -1.800 -1.852 1.000 1 A 98.491 1 ATOM 1195 C CD2 . LEU 150 150 ? A 22.096 -0.165 -2.596 1.000 1 A 98.491 1 ATOM 1196 N N . ASN 151 151 ? A 22.775 -2.510 1.761 1.000 1 A 97.982 1 ATOM 1197 C CA . ASN 151 151 ? A 22.871 -1.891 3.079 1.000 1 A 97.982 1 ATOM 1198 C C . ASN 151 151 ? A 22.791 -0.370 2.992 1.000 1 A 97.982 1 ATOM 1199 O O . ASN 151 151 ? A 22.980 0.205 1.919 1.000 1 A 97.982 1 ATOM 1200 C CB . ASN 151 151 ? A 24.164 -2.315 3.779 1.000 1 A 97.982 1 ATOM 1201 C CG . ASN 151 151 ? A 24.185 -3.792 4.122 1.000 1 A 97.982 1 ATOM 1202 O OD1 . ASN 151 151 ? A 23.160 -4.370 4.492 1.000 1 A 97.982 1 ATOM 1203 N ND2 . ASN 151 151 ? A 25.353 -4.412 4.002 1.000 1 A 97.982 1 ATOM 1204 N N . GLU 152 152 ? A 22.525 0.327 4.079 1.000 1 A 95.172 1 ATOM 1205 C CA . GLU 152 152 ? A 22.303 1.768 4.153 1.000 1 A 95.172 1 ATOM 1206 C C . GLU 152 152 ? A 23.525 2.540 3.663 1.000 1 A 95.172 1 ATOM 1207 O O . GLU 152 152 ? A 23.399 3.660 3.164 1.000 1 A 95.172 1 ATOM 1208 C CB . GLU 152 152 ? A 21.956 2.187 5.584 1.000 1 A 95.172 1 ATOM 1209 C CG . GLU 152 152 ? A 20.559 1.773 6.024 1.000 1 A 95.172 1 ATOM 1210 C CD . GLU 152 152 ? A 20.193 2.278 7.410 1.000 1 A 95.172 1 ATOM 1211 O OE1 . GLU 152 152 ? A 19.052 2.033 7.863 1.000 1 A 95.172 1 ATOM 1212 O OE2 . GLU 152 152 ? A 21.053 2.925 8.048 1.000 1 A 95.172 1 ATOM 1213 N N . ASP 153 153 ? A 24.652 1.919 3.744 1.000 1 A 96.104 1 ATOM 1214 C CA . ASP 153 153 ? A 25.880 2.579 3.311 1.000 1 A 96.104 1 ATOM 1215 C C . ASP 153 153 ? A 25.986 2.597 1.788 1.000 1 A 96.104 1 ATOM 1216 O O . ASP 153 153 ? A 26.885 3.229 1.230 1.000 1 A 96.104 1 ATOM 1217 C CB . ASP 153 153 ? A 27.103 1.887 3.915 1.000 1 A 96.104 1 ATOM 1218 C CG . ASP 153 153 ? A 27.252 0.445 3.465 1.000 1 A 96.104 1 ATOM 1219 O OD1 . ASP 153 153 ? A 26.547 0.025 2.522 1.000 1 A 96.104 1 ATOM 1220 O OD2 . ASP 153 153 ? A 28.078 -0.280 4.061 1.000 1 A 96.104 1 ATOM 1221 N N . LEU 154 154 ? A 25.088 1.828 1.081 1.000 1 A 97.387 1 ATOM 1222 C CA . LEU 154 154 ? A 24.985 1.721 -0.370 1.000 1 A 97.387 1 ATOM 1223 C C . LEU 154 154 ? A 26.253 1.112 -0.961 1.000 1 A 97.387 1 ATOM 1224 O O . LEU 154 154 ? A 26.616 1.408 -2.102 1.000 1 A 97.387 1 ATOM 1225 C CB . LEU 154 154 ? A 24.728 3.095 -0.993 1.000 1 A 97.387 1 ATOM 1226 C CG . LEU 154 154 ? A 23.452 3.812 -0.549 1.000 1 A 97.387 1 ATOM 1227 C CD1 . LEU 154 154 ? A 23.240 5.077 -1.374 1.000 1 A 97.387 1 ATOM 1228 C CD2 . LEU 154 154 ? A 22.248 2.884 -0.666 1.000 1 A 97.387 1 ATOM 1229 N N . ARG 155 155 ? A 26.977 0.331 -0.119 1.000 1 A 96.832 1 ATOM 1230 C CA . ARG 155 155 ? A 28.253 -0.213 -0.572 1.000 1 A 96.832 1 ATOM 1231 C C . ARG 155 155 ? A 28.311 -1.722 -0.360 1.000 1 A 96.832 1 ATOM 1232 O O . ARG 155 155 ? A 29.128 -2.410 -0.977 1.000 1 A 96.832 1 ATOM 1233 C CB . ARG 155 155 ? A 29.415 0.463 0.158 1.000 1 A 96.832 1 ATOM 1234 C CG . ARG 155 155 ? A 29.566 1.942 -0.162 1.000 1 A 96.832 1 ATOM 1235 C CD . ARG 155 155 ? A 30.740 2.563 0.583 1.000 1 A 96.832 1 ATOM 1236 N NE . ARG 155 155 ? A 30.882 3.984 0.275 1.000 1 A 96.832 1 ATOM 1237 C CZ . ARG 155 155 ? A 32.043 4.609 0.104 1.000 1 A 96.832 1 ATOM 1238 N NH1 . ARG 155 155 ? A 33.191 3.949 0.207 1.000 1 A 96.832 1 ATOM 1239 N NH2 . ARG 155 155 ? A 32.058 5.905 -0.172 1.000 1 A 96.832 1 ATOM 1240 N N . SER 156 156 ? A 27.512 -2.139 0.454 1.000 1 A 97.377 1 ATOM 1241 C CA . SER 156 156 ? A 27.584 -3.557 0.791 1.000 1 A 97.377 1 ATOM 1242 C C . SER 156 156 ? A 26.199 -4.194 0.799 1.000 1 A 97.377 1 ATOM 1243 O O . SER 156 156 ? A 25.186 -3.491 0.765 1.000 1 A 97.377 1 ATOM 1244 C CB . SER 156 156 ? A 28.251 -3.751 2.153 1.000 1 A 97.377 1 ATOM 1245 O OG . SER 156 156 ? A 27.513 -3.101 3.173 1.000 1 A 97.377 1 ATOM 1246 N N . TRP 157 157 ? A 26.239 -5.560 0.872 1.000 1 A 98.459 1 ATOM 1247 C CA . TRP 157 157 ? A 25.013 -6.346 0.774 1.000 1 A 98.459 1 ATOM 1248 C C . TRP 157 157 ? A 24.830 -7.226 2.005 1.000 1 A 98.459 1 ATOM 1249 O O . TRP 157 157 ? A 25.809 -7.674 2.607 1.000 1 A 98.459 1 ATOM 1250 C CB . TRP 157 157 ? A 25.029 -7.210 -0.490 1.000 1 A 98.459 1 ATOM 1251 C CG . TRP 157 157 ? A 25.102 -6.424 -1.765 1.000 1 A 98.459 1 ATOM 1252 C CD1 . TRP 157 157 ? A 26.231 -6.037 -2.431 1.000 1 A 98.459 1 ATOM 1253 C CD2 . TRP 157 157 ? A 23.997 -5.926 -2.525 1.000 1 A 98.459 1 ATOM 1254 N NE1 . TRP 157 157 ? A 25.895 -5.328 -3.560 1.000 1 A 98.459 1 ATOM 1255 C CE2 . TRP 157 157 ? A 24.531 -5.245 -3.641 1.000 1 A 98.459 1 ATOM 1256 C CE3 . TRP 157 157 ? A 22.605 -5.990 -2.371 1.000 1 A 98.459 1 ATOM 1257 C CZ2 . TRP 157 157 ? A 23.720 -4.632 -4.600 1.000 1 A 98.459 1 ATOM 1258 C CZ3 . TRP 157 157 ? A 21.801 -5.379 -3.325 1.000 1 A 98.459 1 ATOM 1259 C CH2 . TRP 157 157 ? A 22.363 -4.709 -4.425 1.000 1 A 98.459 1 ATOM 1260 N N . THR 158 158 ? A 23.594 -7.361 2.355 1.000 1 A 98.464 1 ATOM 1261 C CA . THR 158 158 ? A 23.226 -8.362 3.351 1.000 1 A 98.464 1 ATOM 1262 C C . THR 158 158 ? A 22.489 -9.528 2.698 1.000 1 A 98.464 1 ATOM 1263 O O . THR 158 158 ? A 21.420 -9.344 2.112 1.000 1 A 98.464 1 ATOM 1264 C CB . THR 158 158 ? A 22.347 -7.751 4.458 1.000 1 A 98.464 1 ATOM 1265 O OG1 . THR 158 158 ? A 23.073 -6.705 5.114 1.000 1 A 98.464 1 ATOM 1266 C CG2 . THR 158 158 ? A 21.951 -8.803 5.488 1.000 1 A 98.464 1 ATOM 1267 N N . ALA 159 159 ? A 23.093 -10.728 2.717 1.000 1 A 98.629 1 ATOM 1268 C CA . ALA 159 159 ? A 22.468 -11.951 2.221 1.000 1 A 98.629 1 ATOM 1269 C C . ALA 159 159 ? A 21.645 -12.629 3.313 1.000 1 A 98.629 1 ATOM 1270 O O . ALA 159 159 ? A 22.121 -12.808 4.437 1.000 1 A 98.629 1 ATOM 1271 C CB . ALA 159 159 ? A 23.528 -12.911 1.685 1.000 1 A 98.629 1 ATOM 1272 N N . ALA 160 160 ? A 20.459 -13.033 3.016 1.000 1 A 97.730 1 ATOM 1273 C CA . ALA 160 160 ? A 19.549 -13.556 4.031 1.000 1 A 97.730 1 ATOM 1274 C C . ALA 160 160 ? A 19.869 -15.012 4.357 1.000 1 A 97.730 1 ATOM 1275 O O . ALA 160 160 ? A 19.573 -15.489 5.455 1.000 1 A 97.730 1 ATOM 1276 C CB . ALA 160 160 ? A 18.101 -13.424 3.567 1.000 1 A 97.730 1 ATOM 1277 N N . ASP 161 161 ? A 20.462 -15.770 3.428 1.000 1 A 97.003 1 ATOM 1278 C CA . ASP 161 161 ? A 20.785 -17.179 3.634 1.000 1 A 97.003 1 ATOM 1279 C C . ASP 161 161 ? A 21.933 -17.617 2.729 1.000 1 A 97.003 1 ATOM 1280 O O . ASP 161 161 ? A 22.583 -16.784 2.093 1.000 1 A 97.003 1 ATOM 1281 C CB . ASP 161 161 ? A 19.554 -18.053 3.384 1.000 1 A 97.003 1 ATOM 1282 C CG . ASP 161 161 ? A 18.990 -17.896 1.983 1.000 1 A 97.003 1 ATOM 1283 O OD1 . ASP 161 161 ? A 19.758 -17.587 1.047 1.000 1 A 97.003 1 ATOM 1284 O OD2 . ASP 161 161 ? A 17.765 -18.078 1.814 1.000 1 A 97.003 1 ATOM 1285 N N . MET 162 162 ? A 22.303 -18.905 2.744 1.000 1 A 96.722 1 ATOM 1286 C CA . MET 162 162 ? A 23.486 -19.407 2.051 1.000 1 A 96.722 1 ATOM 1287 C C . MET 162 162 ? A 23.322 -19.292 0.540 1.000 1 A 96.722 1 ATOM 1288 O O . MET 162 162 ? A 24.284 -19.004 -0.174 1.000 1 A 96.722 1 ATOM 1289 C CB . MET 162 162 ? A 23.761 -20.861 2.439 1.000 1 A 96.722 1 ATOM 1290 C CG . MET 162 162 ? A 24.273 -21.031 3.860 1.000 1 A 96.722 1 ATOM 1291 S SD . MET 162 162 ? A 25.809 -20.078 4.172 1.000 1 A 96.722 1 ATOM 1292 C CE . MET 162 162 ? A 26.940 -20.907 3.021 1.000 1 A 96.722 1 ATOM 1293 N N . ALA 163 163 ? A 22.136 -19.547 0.105 1.000 1 A 96.532 1 ATOM 1294 C CA . ALA 163 163 ? A 21.877 -19.399 -1.325 1.000 1 A 96.532 1 ATOM 1295 C C . ALA 163 163 ? A 22.064 -17.950 -1.768 1.000 1 A 96.532 1 ATOM 1296 O O . ALA 163 163 ? A 22.641 -17.688 -2.826 1.000 1 A 96.532 1 ATOM 1297 C CB . ALA 163 163 ? A 20.468 -19.878 -1.663 1.000 1 A 96.532 1 ATOM 1298 N N . ALA 164 164 ? A 21.620 -16.998 -1.006 1.000 1 A 98.315 1 ATOM 1299 C CA . ALA 164 164 ? A 21.755 -15.574 -1.300 1.000 1 A 98.315 1 ATOM 1300 C C . ALA 164 164 ? A 23.218 -15.142 -1.262 1.000 1 A 98.315 1 ATOM 1301 O O . ALA 164 164 ? A 23.594 -14.148 -1.889 1.000 1 A 98.315 1 ATOM 1302 C CB . ALA 164 164 ? A 20.933 -14.747 -0.315 1.000 1 A 98.315 1 ATOM 1303 N N . GLN 165 165 ? A 24.095 -15.874 -0.571 1.000 1 A 98.583 1 ATOM 1304 C CA . GLN 165 165 ? A 25.521 -15.574 -0.504 1.000 1 A 98.583 1 ATOM 1305 C C . GLN 165 165 ? A 26.181 -15.726 -1.871 1.000 1 A 98.583 1 ATOM 1306 O O . GLN 165 165 ? A 27.139 -15.018 -2.186 1.000 1 A 98.583 1 ATOM 1307 C CB . GLN 165 165 ? A 26.213 -16.480 0.517 1.000 1 A 98.583 1 ATOM 1308 C CG . GLN 165 165 ? A 25.891 -16.133 1.964 1.000 1 A 98.583 1 ATOM 1309 C CD . GLN 165 165 ? A 26.421 -14.772 2.373 1.000 1 A 98.583 1 ATOM 1310 O OE1 . GLN 165 165 ? A 27.350 -14.241 1.757 1.000 1 A 98.583 1 ATOM 1311 N NE2 . GLN 165 165 ? A 25.834 -14.197 3.418 1.000 1 A 98.583 1 ATOM 1312 N N . ILE 166 166 ? A 25.660 -16.657 -2.606 1.000 1 A 98.215 1 ATOM 1313 C CA . ILE 166 166 ? A 26.172 -16.850 -3.959 1.000 1 A 98.215 1 ATOM 1314 C C . ILE 166 166 ? A 25.982 -15.570 -4.770 1.000 1 A 98.215 1 ATOM 1315 O O . ILE 166 166 ? A 26.913 -15.099 -5.427 1.000 1 A 98.215 1 ATOM 1316 C CB . ILE 166 166 ? A 25.479 -18.038 -4.662 1.000 1 A 98.215 1 ATOM 1317 C CG1 . ILE 166 166 ? A 25.734 -19.338 -3.891 1.000 1 A 98.215 1 ATOM 1318 C CG2 . ILE 166 166 ? A 25.955 -18.159 -6.113 1.000 1 A 98.215 1 ATOM 1319 C CD1 . ILE 166 166 ? A 24.890 -20.514 -4.363 1.000 1 A 98.215 1 ATOM 1320 N N . THR 167 167 ? A 24.790 -15.032 -4.669 1.000 1 A 98.156 1 ATOM 1321 C CA . THR 167 167 ? A 24.471 -13.793 -5.370 1.000 1 A 98.156 1 ATOM 1322 C C . THR 167 167 ? A 25.307 -12.636 -4.830 1.000 1 A 98.156 1 ATOM 1323 O O . THR 167 167 ? A 25.826 -11.826 -5.601 1.000 1 A 98.156 1 ATOM 1324 C CB . THR 167 167 ? A 22.975 -13.450 -5.246 1.000 1 A 98.156 1 ATOM 1325 O OG1 . THR 167 167 ? A 22.198 -14.517 -5.806 1.000 1 A 98.156 1 ATOM 1326 C CG2 . THR 167 167 ? A 22.645 -12.156 -5.982 1.000 1 A 98.156 1 ATOM 1327 N N . LYS 168 168 ? A 25.400 -12.533 -3.555 1.000 1 A 98.622 1 ATOM 1328 C CA . LYS 168 168 ? A 26.201 -11.484 -2.930 1.000 1 A 98.622 1 ATOM 1329 C C . LYS 168 168 ? A 27.623 -11.476 -3.482 1.000 1 A 98.622 1 ATOM 1330 O O . LYS 168 168 ? A 28.138 -10.426 -3.870 1.000 1 A 98.622 1 ATOM 1331 C CB . LYS 168 168 ? A 26.229 -11.663 -1.411 1.000 1 A 98.622 1 ATOM 1332 C CG . LYS 168 168 ? A 27.086 -10.638 -0.683 1.000 1 A 98.622 1 ATOM 1333 C CD . LYS 168 168 ? A 27.054 -10.853 0.825 1.000 1 A 98.622 1 ATOM 1334 C CE . LYS 168 168 ? A 27.947 -9.857 1.552 1.000 1 A 98.622 1 ATOM 1335 N NZ . LYS 168 168 ? A 28.636 -10.481 2.721 1.000 1 A 98.622 1 ATOM 1336 N N . ARG 169 169 ? A 28.295 -12.623 -3.565 1.000 1 A 98.514 1 ATOM 1337 C CA . ARG 169 169 ? A 29.667 -12.720 -4.053 1.000 1 A 98.514 1 ATOM 1338 C C . ARG 169 169 ? A 29.763 -12.268 -5.507 1.000 1 A 98.514 1 ATOM 1339 O O . ARG 169 169 ? A 30.683 -11.535 -5.874 1.000 1 A 98.514 1 ATOM 1340 C CB . ARG 169 169 ? A 30.188 -14.151 -3.913 1.000 1 A 98.514 1 ATOM 1341 C CG . ARG 169 169 ? A 30.429 -14.582 -2.475 1.000 1 A 98.514 1 ATOM 1342 C CD . ARG 169 169 ? A 30.905 -16.025 -2.390 1.000 1 A 98.514 1 ATOM 1343 N NE . ARG 169 169 ? A 30.837 -16.536 -1.024 1.000 1 A 98.514 1 ATOM 1344 C CZ . ARG 169 169 ? A 30.662 -17.814 -0.701 1.000 1 A 98.514 1 ATOM 1345 N NH1 . ARG 169 169 ? A 30.534 -18.741 -1.643 1.000 1 A 98.514 1 ATOM 1346 N NH2 . ARG 169 169 ? A 30.616 -18.169 0.575 1.000 1 A 98.514 1 ATOM 1347 N N . LYS 170 170 ? A 28.783 -12.677 -6.280 1.000 1 A 98.017 1 ATOM 1348 C CA . LYS 170 170 ? A 28.761 -12.285 -7.686 1.000 1 A 98.017 1 ATOM 1349 C C . LYS 170 170 ? A 28.590 -10.775 -7.833 1.000 1 A 98.017 1 ATOM 1350 O O . LYS 170 170 ? A 29.283 -10.142 -8.633 1.000 1 A 98.017 1 ATOM 1351 C CB . LYS 170 170 ? A 27.641 -13.014 -8.429 1.000 1 A 98.017 1 ATOM 1352 C CG . LYS 170 170 ? A 27.902 -14.497 -8.643 1.000 1 A 98.017 1 ATOM 1353 C CD . LYS 170 170 ? A 26.789 -15.151 -9.450 1.000 1 A 98.017 1 ATOM 1354 C CE . LYS 170 170 ? A 27.086 -16.619 -9.728 1.000 1 A 98.017 1 ATOM 1355 N NZ . LYS 170 170 ? A 25.996 -17.264 -10.520 1.000 1 A 98.017 1 ATOM 1356 N N . TRP 171 171 ? A 27.654 -10.256 -7.122 1.000 1 A 98.048 1 ATOM 1357 C CA . TRP 171 171 ? A 27.370 -8.828 -7.221 1.000 1 A 98.048 1 ATOM 1358 C C . TRP 171 171 ? A 28.544 -8.003 -6.703 1.000 1 A 98.048 1 ATOM 1359 O O . TRP 171 171 ? A 28.861 -6.948 -7.257 1.000 1 A 98.048 1 ATOM 1360 C CB . TRP 171 171 ? A 26.100 -8.476 -6.442 1.000 1 A 98.048 1 ATOM 1361 C CG . TRP 171 171 ? A 24.830 -8.809 -7.166 1.000 1 A 98.048 1 ATOM 1362 C CD1 . TRP 171 171 ? A 24.703 -9.538 -8.315 1.000 1 A 98.048 1 ATOM 1363 C CD2 . TRP 171 171 ? A 23.505 -8.418 -6.791 1.000 1 A 98.048 1 ATOM 1364 N NE1 . TRP 171 171 ? A 23.379 -9.626 -8.677 1.000 1 A 98.048 1 ATOM 1365 C CE2 . TRP 171 171 ? A 22.623 -8.947 -7.759 1.000 1 A 98.048 1 ATOM 1366 C CE3 . TRP 171 171 ? A 22.978 -7.672 -5.728 1.000 1 A 98.048 1 ATOM 1367 C CZ2 . TRP 171 171 ? A 21.241 -8.753 -7.696 1.000 1 A 98.048 1 ATOM 1368 C CZ3 . TRP 171 171 ? A 21.602 -7.480 -5.667 1.000 1 A 98.048 1 ATOM 1369 C CH2 . TRP 171 171 ? A 20.752 -8.020 -6.646 1.000 1 A 98.048 1 ATOM 1370 N N . GLU 172 172 ? A 29.216 -8.467 -5.650 1.000 1 A 98.243 1 ATOM 1371 C CA . GLU 172 172 ? A 30.392 -7.771 -5.138 1.000 1 A 98.243 1 ATOM 1372 C C . GLU 172 172 ? A 31.523 -7.769 -6.164 1.000 1 A 98.243 1 ATOM 1373 O O . GLU 172 172 ? A 32.186 -6.749 -6.362 1.000 1 A 98.243 1 ATOM 1374 C CB . GLU 172 172 ? A 30.869 -8.410 -3.831 1.000 1 A 98.243 1 ATOM 1375 C CG . GLU 172 172 ? A 30.014 -8.053 -2.624 1.000 1 A 98.243 1 ATOM 1376 C CD . GLU 172 172 ? A 30.415 -8.800 -1.362 1.000 1 A 98.243 1 ATOM 1377 O OE1 . GLU 172 172 ? A 30.002 -8.387 -0.255 1.000 1 A 98.243 1 ATOM 1378 O OE2 . GLU 172 172 ? A 31.151 -9.805 -1.482 1.000 1 A 98.243 1 ATOM 1379 N N . ALA 173 173 ? A 31.698 -8.931 -6.760 1.000 1 A 98.056 1 ATOM 1380 C CA . ALA 173 173 ? A 32.720 -9.047 -7.797 1.000 1 A 98.056 1 ATOM 1381 C C . ALA 173 173 ? A 32.402 -8.142 -8.983 1.000 1 A 98.056 1 ATOM 1382 O O . ALA 173 173 ? A 33.308 -7.576 -9.601 1.000 1 A 98.056 1 ATOM 1383 C CB . ALA 173 173 ? A 32.849 -10.497 -8.257 1.000 1 A 98.056 1 ATOM 1384 N N . ALA 174 174 ? A 31.154 -7.926 -9.253 1.000 1 A 97.761 1 ATOM 1385 C CA . ALA 174 174 ? A 30.715 -7.127 -10.394 1.000 1 A 97.761 1 ATOM 1386 C C . ALA 174 174 ? A 30.563 -5.658 -10.008 1.000 1 A 97.761 1 ATOM 1387 O O . ALA 174 174 ? A 30.174 -4.830 -10.835 1.000 1 A 97.761 1 ATOM 1388 C CB . ALA 174 174 ? A 29.399 -7.667 -10.948 1.000 1 A 97.761 1 ATOM 1389 N N . HIS 175 175 ? A 30.796 -5.312 -8.798 1.000 1 A 97.266 1 ATOM 1390 C CA . HIS 175 175 ? A 30.673 -3.950 -8.291 1.000 1 A 97.266 1 ATOM 1391 C C . HIS 175 175 ? A 29.269 -3.401 -8.522 1.000 1 A 97.266 1 ATOM 1392 O O . HIS 175 175 ? A 29.109 -2.276 -9.002 1.000 1 A 97.266 1 ATOM 1393 C CB . HIS 175 175 ? A 31.709 -3.037 -8.949 1.000 1 A 97.266 1 ATOM 1394 C CG . HIS 175 175 ? A 33.123 -3.454 -8.698 1.000 1 A 97.266 1 ATOM 1395 N ND1 . HIS 175 175 ? A 33.828 -4.256 -9.569 1.000 1 A 97.266 1 ATOM 1396 C CD2 . HIS 175 175 ? A 33.963 -3.177 -7.673 1.000 1 A 97.266 1 ATOM 1397 C CE1 . HIS 175 175 ? A 35.044 -4.455 -9.089 1.000 1 A 97.266 1 ATOM 1398 N NE2 . HIS 175 175 ? A 35.151 -3.811 -7.939 1.000 1 A 97.266 1 ATOM 1399 N N . GLU 176 176 ? A 28.264 -4.261 -8.309 1.000 1 A 97.281 1 ATOM 1400 C CA . GLU 176 176 ? A 26.859 -3.911 -8.494 1.000 1 A 97.281 1 ATOM 1401 C C . GLU 176 176 ? A 26.450 -2.765 -7.573 1.000 1 A 97.281 1 ATOM 1402 O O . GLU 176 176 ? A 25.668 -1.896 -7.964 1.000 1 A 97.281 1 ATOM 1403 C CB . GLU 176 176 ? A 25.965 -5.128 -8.247 1.000 1 A 97.281 1 ATOM 1404 C CG . GLU 176 176 ? A 25.982 -6.144 -9.381 1.000 1 A 97.281 1 ATOM 1405 C CD . GLU 176 176 ? A 25.301 -5.644 -10.645 1.000 1 A 97.281 1 ATOM 1406 O OE1 . GLU 176 176 ? A 25.414 -6.310 -11.699 1.000 1 A 97.281 1 ATOM 1407 O OE2 . GLU 176 176 ? A 24.650 -4.577 -10.580 1.000 1 A 97.281 1 ATOM 1408 N N . ALA 177 177 ? A 26.952 -2.690 -6.357 1.000 1 A 97.995 1 ATOM 1409 C CA . ALA 177 177 ? A 26.584 -1.645 -5.406 1.000 1 A 97.995 1 ATOM 1410 C C . ALA 177 177 ? A 26.938 -0.262 -5.945 1.000 1 A 97.995 1 ATOM 1411 O O . ALA 177 177 ? A 26.156 0.682 -5.812 1.000 1 A 97.995 1 ATOM 1412 C CB . ALA 177 177 ? A 27.272 -1.881 -4.063 1.000 1 A 97.995 1 ATOM 1413 N N . GLU 178 178 ? A 28.070 -0.139 -6.592 1.000 1 A 97.124 1 ATOM 1414 C CA . GLU 178 178 ? A 28.507 1.134 -7.157 1.000 1 A 97.124 1 ATOM 1415 C C . GLU 178 178 ? A 27.554 1.609 -8.250 1.000 1 A 97.124 1 ATOM 1416 O O . GLU 178 178 ? A 27.187 2.785 -8.293 1.000 1 A 97.124 1 ATOM 1417 C CB . GLU 178 178 ? A 29.928 1.016 -7.713 1.000 1 A 97.124 1 ATOM 1418 C CG . GLU 178 178 ? A 30.997 0.854 -6.641 1.000 1 A 97.124 1 ATOM 1419 C CD . GLU 178 178 ? A 32.384 0.605 -7.209 1.000 1 A 97.124 1 ATOM 1420 O OE1 . GLU 178 178 ? A 33.317 0.309 -6.428 1.000 1 A 97.124 1 ATOM 1421 O OE2 . GLU 178 178 ? A 32.541 0.706 -8.447 1.000 1 A 97.124 1 ATOM 1422 N N . GLN 179 179 ? A 27.125 0.719 -9.124 1.000 1 A 95.844 1 ATOM 1423 C CA . GLN 179 179 ? A 26.183 1.053 -10.187 1.000 1 A 95.844 1 ATOM 1424 C C . GLN 179 179 ? A 24.837 1.487 -9.613 1.000 1 A 95.844 1 ATOM 1425 O O . GLN 179 179 ? A 24.258 2.480 -10.057 1.000 1 A 95.844 1 ATOM 1426 C CB . GLN 179 179 ? A 25.992 -0.137 -11.129 1.000 1 A 95.844 1 ATOM 1427 C CG . GLN 179 179 ? A 27.227 -0.470 -11.956 1.000 1 A 95.844 1 ATOM 1428 C CD . GLN 179 179 ? A 27.026 -1.681 -12.848 1.000 1 A 95.844 1 ATOM 1429 O OE1 . GLN 179 179 ? A 25.908 -2.187 -12.988 1.000 1 A 95.844 1 ATOM 1430 N NE2 . GLN 179 179 ? A 28.108 -2.154 -13.457 1.000 1 A 95.844 1 ATOM 1431 N N . LEU 180 180 ? A 24.372 0.811 -8.618 1.000 1 A 97.357 1 ATOM 1432 C CA . LEU 180 180 ? A 23.098 1.141 -7.987 1.000 1 A 97.357 1 ATOM 1433 C C . LEU 180 180 ? A 23.187 2.470 -7.245 1.000 1 A 97.357 1 ATOM 1434 O O . LEU 180 180 ? A 22.254 3.275 -7.292 1.000 1 A 97.357 1 ATOM 1435 C CB . LEU 180 180 ? A 22.675 0.031 -7.021 1.000 1 A 97.357 1 ATOM 1436 C CG . LEU 180 180 ? A 22.000 -1.191 -7.645 1.000 1 A 97.357 1 ATOM 1437 C CD1 . LEU 180 180 ? A 21.890 -2.316 -6.622 1.000 1 A 97.357 1 ATOM 1438 C CD2 . LEU 180 180 ? A 20.624 -0.821 -8.191 1.000 1 A 97.357 1 ATOM 1439 N N . ARG 181 181 ? A 24.314 2.680 -6.596 1.000 1 A 97.785 1 ATOM 1440 C CA . ARG 181 181 ? A 24.516 3.945 -5.899 1.000 1 A 97.785 1 ATOM 1441 C C . ARG 181 181 ? A 24.426 5.123 -6.864 1.000 1 A 97.785 1 ATOM 1442 O O . ARG 181 181 ? A 23.809 6.143 -6.551 1.000 1 A 97.785 1 ATOM 1443 C CB . ARG 181 181 ? A 25.869 3.956 -5.184 1.000 1 A 97.785 1 ATOM 1444 C CG . ARG 181 181 ? A 26.143 5.231 -4.404 1.000 1 A 97.785 1 ATOM 1445 C CD . ARG 181 181 ? A 27.504 5.194 -3.722 1.000 1 A 97.785 1 ATOM 1446 N NE . ARG 181 181 ? A 27.805 6.455 -3.050 1.000 1 A 97.785 1 ATOM 1447 C CZ . ARG 181 181 ? A 28.913 6.697 -2.354 1.000 1 A 97.785 1 ATOM 1448 N NH1 . ARG 181 181 ? A 29.850 5.765 -2.225 1.000 1 A 97.785 1 ATOM 1449 N NH2 . ARG 181 181 ? A 29.085 7.880 -1.783 1.000 1 A 97.785 1 ATOM 1450 N N . ALA 182 182 ? A 25.093 4.996 -8.050 1.000 1 A 97.331 1 ATOM 1451 C CA . ALA 182 182 ? A 25.036 6.054 -9.056 1.000 1 A 97.331 1 ATOM 1452 C C . ALA 182 182 ? A 23.594 6.359 -9.449 1.000 1 A 97.331 1 ATOM 1453 O O . ALA 182 182 ? A 23.215 7.525 -9.587 1.000 1 A 97.331 1 ATOM 1454 C CB . ALA 182 182 ? A 25.848 5.661 -10.288 1.000 1 A 97.331 1 ATOM 1455 N N . TYR 183 183 ? A 22.779 5.389 -9.582 1.000 1 A 97.430 1 ATOM 1456 C CA . TYR 183 183 ? A 21.375 5.596 -9.918 1.000 1 A 97.430 1 ATOM 1457 C C . TYR 183 183 ? A 20.617 6.201 -8.743 1.000 1 A 97.430 1 ATOM 1458 O O . TYR 183 183 ? A 19.889 7.184 -8.905 1.000 1 A 97.430 1 ATOM 1459 C CB . TYR 183 183 ? A 20.722 4.275 -10.336 1.000 1 A 97.430 1 ATOM 1460 C CG . TYR 183 183 ? A 19.217 4.346 -10.435 1.000 1 A 97.430 1 ATOM 1461 C CD1 . TYR 183 183 ? A 18.408 3.867 -9.407 1.000 1 A 97.430 1 ATOM 1462 C CD2 . TYR 183 183 ? A 18.602 4.892 -11.557 1.000 1 A 97.430 1 ATOM 1463 C CE1 . TYR 183 183 ? A 17.022 3.929 -9.495 1.000 1 A 97.430 1 ATOM 1464 C CE2 . TYR 183 183 ? A 17.216 4.959 -11.655 1.000 1 A 97.430 1 ATOM 1465 C CZ . TYR 183 183 ? A 16.435 4.476 -10.620 1.000 1 A 97.430 1 ATOM 1466 O OH . TYR 183 183 ? A 15.063 4.540 -10.712 1.000 1 A 97.430 1 ATOM 1467 N N . LEU 184 184 ? A 20.725 5.628 -7.506 1.000 1 A 98.382 1 ATOM 1468 C CA . LEU 184 184 ? A 19.894 5.953 -6.351 1.000 1 A 98.382 1 ATOM 1469 C C . LEU 184 184 ? A 20.170 7.372 -5.865 1.000 1 A 98.382 1 ATOM 1470 O O . LEU 184 184 ? A 19.239 8.124 -5.572 1.000 1 A 98.382 1 ATOM 1471 C CB . LEU 184 184 ? A 20.139 4.955 -5.217 1.000 1 A 98.382 1 ATOM 1472 C CG . LEU 184 184 ? A 19.660 3.523 -5.458 1.000 1 A 98.382 1 ATOM 1473 C CD1 . LEU 184 184 ? A 20.206 2.592 -4.381 1.000 1 A 98.382 1 ATOM 1474 C CD2 . LEU 184 184 ? A 18.136 3.468 -5.497 1.000 1 A 98.382 1 ATOM 1475 N N . ASP 185 185 ? A 21.455 7.816 -5.732 1.000 1 A 96.808 1 ATOM 1476 C CA . ASP 185 185 ? A 21.737 9.148 -5.205 1.000 1 A 96.808 1 ATOM 1477 C C . ASP 185 185 ? A 21.903 10.162 -6.335 1.000 1 A 96.808 1 ATOM 1478 O O . ASP 185 185 ? A 22.234 11.324 -6.090 1.000 1 A 96.808 1 ATOM 1479 C CB . ASP 185 185 ? A 22.992 9.124 -4.331 1.000 1 A 96.808 1 ATOM 1480 C CG . ASP 185 185 ? A 24.258 8.837 -5.118 1.000 1 A 96.808 1 ATOM 1481 O OD1 . ASP 185 185 ? A 24.190 8.719 -6.361 1.000 1 A 96.808 1 ATOM 1482 O OD2 . ASP 185 185 ? A 25.334 8.726 -4.491 1.000 1 A 96.808 1 ATOM 1483 N N . GLY 186 186 ? A 21.710 9.763 -7.593 1.000 1 A 97.050 1 ATOM 1484 C CA . GLY 186 186 ? A 21.781 10.630 -8.759 1.000 1 A 97.050 1 ATOM 1485 C C . GLY 186 186 ? A 20.480 10.689 -9.537 1.000 1 A 97.050 1 ATOM 1486 O O . GLY 186 186 ? A 19.579 11.456 -9.192 1.000 1 A 97.050 1 ATOM 1487 N N . THR 187 187 ? A 20.311 9.703 -10.497 1.000 1 A 97.250 1 ATOM 1488 C CA . THR 187 187 ? A 19.197 9.682 -11.439 1.000 1 A 97.250 1 ATOM 1489 C C . THR 187 187 ? A 17.865 9.597 -10.699 1.000 1 A 97.250 1 ATOM 1490 O O . THR 187 187 ? A 16.914 10.304 -11.039 1.000 1 A 97.250 1 ATOM 1491 C CB . THR 187 187 ? A 19.318 8.503 -12.421 1.000 1 A 97.250 1 ATOM 1492 O OG1 . THR 187 187 ? A 20.558 8.607 -13.133 1.000 1 A 97.250 1 ATOM 1493 C CG2 . THR 187 187 ? A 18.169 8.502 -13.423 1.000 1 A 97.250 1 ATOM 1494 N N . CYS 188 188 ? A 17.787 8.784 -9.729 1.000 1 A 98.195 1 ATOM 1495 C CA . CYS 188 188 ? A 16.554 8.626 -8.967 1.000 1 A 98.195 1 ATOM 1496 C C . CYS 188 188 ? A 16.127 9.948 -8.341 1.000 1 A 98.195 1 ATOM 1497 O O . CYS 188 188 ? A 14.968 10.350 -8.459 1.000 1 A 98.195 1 ATOM 1498 C CB . CYS 188 188 ? A 16.729 7.569 -7.877 1.000 1 A 98.195 1 ATOM 1499 S SG . CYS 188 188 ? A 15.242 7.285 -6.892 1.000 1 A 98.195 1 ATOM 1500 N N . VAL 189 189 ? A 17.065 10.648 -7.692 1.000 1 A 98.263 1 ATOM 1501 C CA . VAL 189 189 ? A 16.803 11.918 -7.025 1.000 1 A 98.263 1 ATOM 1502 C C . VAL 189 189 ? A 16.346 12.955 -8.048 1.000 1 A 98.263 1 ATOM 1503 O O . VAL 189 189 ? A 15.375 13.680 -7.817 1.000 1 A 98.263 1 ATOM 1504 C CB . VAL 189 189 ? A 18.049 12.429 -6.268 1.000 1 A 98.263 1 ATOM 1505 C CG1 . VAL 189 189 ? A 17.817 13.843 -5.738 1.000 1 A 98.263 1 ATOM 1506 C CG2 . VAL 189 189 ? A 18.407 11.479 -5.127 1.000 1 A 98.263 1 ATOM 1507 N N . GLU 190 190 ? A 17.015 12.963 -9.221 1.000 1 A 97.781 1 ATOM 1508 C CA . GLU 190 190 ? A 16.661 13.896 -10.287 1.000 1 A 97.781 1 ATOM 1509 C C . GLU 190 190 ? A 15.223 13.682 -10.752 1.000 1 A 97.781 1 ATOM 1510 O O . GLU 190 190 ? A 14.459 14.640 -10.883 1.000 1 A 97.781 1 ATOM 1511 C CB . GLU 190 190 ? A 17.623 13.752 -11.469 1.000 1 A 97.781 1 ATOM 1512 C CG . GLU 190 190 ? A 19.020 14.291 -11.194 1.000 1 A 97.781 1 ATOM 1513 C CD . GLU 190 190 ? A 19.983 14.080 -12.351 1.000 1 A 97.781 1 ATOM 1514 O OE1 . GLU 190 190 ? A 21.170 14.459 -12.229 1.000 1 A 97.781 1 ATOM 1515 O OE2 . GLU 190 190 ? A 19.547 13.532 -13.388 1.000 1 A 97.781 1 ATOM 1516 N N . TRP 191 191 ? A 14.876 12.477 -10.891 1.000 1 A 97.439 1 ATOM 1517 C CA . TRP 191 191 ? A 13.533 12.181 -11.379 1.000 1 A 97.439 1 ATOM 1518 C C . TRP 191 191 ? A 12.493 12.421 -10.290 1.000 1 A 97.439 1 ATOM 1519 O O . TRP 191 191 ? A 11.383 12.879 -10.573 1.000 1 A 97.439 1 ATOM 1520 C CB . TRP 191 191 ? A 13.447 10.734 -11.874 1.000 1 A 97.439 1 ATOM 1521 C CG . TRP 191 191 ? A 13.926 10.543 -13.282 1.000 1 A 97.439 1 ATOM 1522 C CD1 . TRP 191 191 ? A 15.124 10.019 -13.681 1.000 1 A 97.439 1 ATOM 1523 C CD2 . TRP 191 191 ? A 13.218 10.881 -14.478 1.000 1 A 97.439 1 ATOM 1524 N NE1 . TRP 191 191 ? A 15.203 10.009 -15.054 1.000 1 A 97.439 1 ATOM 1525 C CE2 . TRP 191 191 ? A 14.047 10.532 -15.567 1.000 1 A 97.439 1 ATOM 1526 C CE3 . TRP 191 191 ? A 11.960 11.443 -14.736 1.000 1 A 97.439 1 ATOM 1527 C CZ2 . TRP 191 191 ? A 13.658 10.728 -16.895 1.000 1 A 97.439 1 ATOM 1528 C CZ3 . TRP 191 191 ? A 11.575 11.638 -16.057 1.000 1 A 97.439 1 ATOM 1529 C CH2 . TRP 191 191 ? A 12.423 11.281 -17.118 1.000 1 A 97.439 1 ATOM 1530 N N . LEU 192 192 ? A 12.809 12.049 -9.078 1.000 1 A 97.968 1 ATOM 1531 C CA . LEU 192 192 ? A 11.877 12.322 -7.989 1.000 1 A 97.968 1 ATOM 1532 C C . LEU 192 192 ? A 11.568 13.813 -7.898 1.000 1 A 97.968 1 ATOM 1533 O O . LEU 192 192 ? A 10.410 14.203 -7.738 1.000 1 A 97.968 1 ATOM 1534 C CB . LEU 192 192 ? A 12.446 11.824 -6.658 1.000 1 A 97.968 1 ATOM 1535 C CG . LEU 192 192 ? A 11.577 12.053 -5.421 1.000 1 A 97.968 1 ATOM 1536 C CD1 . LEU 192 192 ? A 10.160 11.543 -5.667 1.000 1 A 97.968 1 ATOM 1537 C CD2 . LEU 192 192 ? A 12.191 11.373 -4.202 1.000 1 A 97.968 1 ATOM 1538 N N . ARG 193 193 ? A 12.528 14.705 -8.082 1.000 1 A 96.938 1 ATOM 1539 C CA . ARG 193 193 ? A 12.319 16.149 -8.076 1.000 1 A 96.938 1 ATOM 1540 C C . ARG 193 193 ? A 11.435 16.579 -9.242 1.000 1 A 96.938 1 ATOM 1541 O O . ARG 193 193 ? A 10.530 17.398 -9.073 1.000 1 A 96.938 1 ATOM 1542 C CB . ARG 193 193 ? A 13.659 16.887 -8.134 1.000 1 A 96.938 1 ATOM 1543 C CG . ARG 193 193 ? A 14.473 16.787 -6.854 1.000 1 A 96.938 1 ATOM 1544 C CD . ARG 193 193 ? A 15.814 17.495 -6.982 1.000 1 A 96.938 1 ATOM 1545 N NE . ARG 193 193 ? A 16.627 17.332 -5.780 1.000 1 A 96.938 1 ATOM 1546 C CZ . ARG 193 193 ? A 17.941 17.130 -5.776 1.000 1 A 96.938 1 ATOM 1547 N NH1 . ARG 193 193 ? A 18.621 17.061 -6.915 1.000 1 A 96.938 1 ATOM 1548 N NH2 . ARG 193 193 ? A 18.582 16.994 -4.624 1.000 1 A 96.938 1 ATOM 1549 N N . ARG 194 194 ? A 11.745 16.045 -10.344 1.000 1 A 96.278 1 ATOM 1550 C CA . ARG 194 194 ? A 10.954 16.347 -11.533 1.000 1 A 96.278 1 ATOM 1551 C C . ARG 194 194 ? A 9.501 15.924 -11.346 1.000 1 A 96.278 1 ATOM 1552 O O . ARG 194 194 ? A 8.583 16.684 -11.661 1.000 1 A 96.278 1 ATOM 1553 C CB . ARG 194 194 ? A 11.547 15.654 -12.763 1.000 1 A 96.278 1 ATOM 1554 C CG . ARG 194 194 ? A 10.761 15.893 -14.043 1.000 1 A 96.278 1 ATOM 1555 C CD . ARG 194 194 ? A 11.513 15.393 -15.268 1.000 1 A 96.278 1 ATOM 1556 N NE . ARG 194 194 ? A 10.755 15.618 -16.495 1.000 1 A 96.278 1 ATOM 1557 C CZ . ARG 194 194 ? A 11.294 15.783 -17.700 1.000 1 A 96.278 1 ATOM 1558 N NH1 . ARG 194 194 ? A 12.612 15.750 -17.863 1.000 1 A 96.278 1 ATOM 1559 N NH2 . ARG 194 194 ? A 10.510 15.981 -18.750 1.000 1 A 96.278 1 ATOM 1560 N N . TYR 195 195 ? A 9.288 14.713 -10.758 1.000 1 A 96.918 1 ATOM 1561 C CA . TYR 195 195 ? A 7.931 14.225 -10.539 1.000 1 A 96.918 1 ATOM 1562 C C . TYR 195 195 ? A 7.193 15.097 -9.531 1.000 1 A 96.918 1 ATOM 1563 O O . TYR 195 195 ? A 6.007 15.390 -9.704 1.000 1 A 96.918 1 ATOM 1564 C CB . TYR 195 195 ? A 7.953 12.772 -10.054 1.000 1 A 96.918 1 ATOM 1565 C CG . TYR 195 195 ? A 8.480 11.798 -11.080 1.000 1 A 96.918 1 ATOM 1566 C CD1 . TYR 195 195 ? A 8.535 12.139 -12.429 1.000 1 A 96.918 1 ATOM 1567 C CD2 . TYR 195 195 ? A 8.923 10.535 -10.702 1.000 1 A 96.918 1 ATOM 1568 C CE1 . TYR 195 195 ? A 9.018 11.243 -13.378 1.000 1 A 96.918 1 ATOM 1569 C CE2 . TYR 195 195 ? A 9.408 9.632 -11.642 1.000 1 A 96.918 1 ATOM 1570 C CZ . TYR 195 195 ? A 9.452 9.995 -12.976 1.000 1 A 96.918 1 ATOM 1571 O OH . TYR 195 195 ? A 9.931 9.105 -13.911 1.000 1 A 96.918 1 ATOM 1572 N N . LEU 196 196 ? A 7.907 15.496 -8.493 1.000 1 A 95.813 1 ATOM 1573 C CA . LEU 196 196 ? A 7.300 16.370 -7.495 1.000 1 A 95.813 1 ATOM 1574 C C . LEU 196 196 ? A 6.914 17.711 -8.110 1.000 1 A 95.813 1 ATOM 1575 O O . LEU 196 196 ? A 5.870 18.275 -7.775 1.000 1 A 95.813 1 ATOM 1576 C CB . LEU 196 196 ? A 8.259 16.590 -6.322 1.000 1 A 95.813 1 ATOM 1577 C CG . LEU 196 196 ? A 8.490 15.391 -5.401 1.000 1 A 95.813 1 ATOM 1578 C CD1 . LEU 196 196 ? A 9.605 15.695 -4.405 1.000 1 A 95.813 1 ATOM 1579 C CD2 . LEU 196 196 ? A 7.203 15.019 -4.673 1.000 1 A 95.813 1 ATOM 1580 N N . GLU 197 197 ? A 7.715 18.131 -9.024 1.000 1 A 95.373 1 ATOM 1581 C CA . GLU 197 197 ? A 7.416 19.379 -9.720 1.000 1 A 95.373 1 ATOM 1582 C C . GLU 197 197 ? A 6.225 19.216 -10.659 1.000 1 A 95.373 1 ATOM 1583 O O . GLU 197 197 ? A 5.311 20.043 -10.659 1.000 1 A 95.373 1 ATOM 1584 C CB . GLU 197 197 ? A 8.640 19.864 -10.502 1.000 1 A 95.373 1 ATOM 1585 C CG . GLU 197 197 ? A 8.429 21.196 -11.208 1.000 1 A 95.373 1 ATOM 1586 C CD . GLU 197 197 ? A 8.146 22.344 -10.252 1.000 1 A 95.373 1 ATOM 1587 O OE1 . GLU 197 197 ? A 7.540 23.353 -10.678 1.000 1 A 95.373 1 ATOM 1588 O OE2 . GLU 197 197 ? A 8.536 22.234 -9.068 1.000 1 A 95.373 1 ATOM 1589 N N . ASN 198 198 ? A 6.205 18.179 -11.417 1.000 1 A 96.039 1 ATOM 1590 C CA . ASN 198 198 ? A 5.130 17.925 -12.370 1.000 1 A 96.039 1 ATOM 1591 C C . ASN 198 198 ? A 3.806 17.653 -11.661 1.000 1 A 96.039 1 ATOM 1592 O O . ASN 198 198 ? A 2.743 18.031 -12.157 1.000 1 A 96.039 1 ATOM 1593 C CB . ASN 198 198 ? A 5.491 16.755 -13.287 1.000 1 A 96.039 1 ATOM 1594 C CG . ASN 198 198 ? A 6.606 17.095 -14.257 1.000 1 A 96.039 1 ATOM 1595 O OD1 . ASN 198 198 ? A 7.018 18.253 -14.366 1.000 1 A 96.039 1 ATOM 1596 N ND2 . ASN 198 198 ? A 7.102 16.089 -14.967 1.000 1 A 96.039 1 ATOM 1597 N N . GLY 199 199 ? A 3.929 16.956 -10.503 1.000 1 A 95.231 1 ATOM 1598 C CA . GLY 199 199 ? A 2.740 16.539 -9.777 1.000 1 A 95.231 1 ATOM 1599 C C . GLY 199 199 ? A 2.505 17.337 -8.508 1.000 1 A 95.231 1 ATOM 1600 O O . GLY 199 199 ? A 1.906 16.835 -7.555 1.000 1 A 95.231 1 ATOM 1601 N N . LYS 200 200 ? A 2.971 18.541 -8.442 1.000 1 A 94.220 1 ATOM 1602 C CA . LYS 200 200 ? A 2.967 19.377 -7.245 1.000 1 A 94.220 1 ATOM 1603 C C . LYS 200 200 ? A 1.568 19.469 -6.644 1.000 1 A 94.220 1 ATOM 1604 O O . LYS 200 200 ? A 1.396 19.316 -5.432 1.000 1 A 94.220 1 ATOM 1605 C CB . LYS 200 200 ? A 3.494 20.776 -7.566 1.000 1 A 94.220 1 ATOM 1606 C CG . LYS 200 200 ? A 3.627 21.681 -6.350 1.000 1 A 94.220 1 ATOM 1607 C CD . LYS 200 200 ? A 4.256 23.020 -6.715 1.000 1 A 94.220 1 ATOM 1608 C CE . LYS 200 200 ? A 4.386 23.928 -5.500 1.000 1 A 94.220 1 ATOM 1609 N NZ . LYS 200 200 ? A 5.011 25.238 -5.852 1.000 1 A 94.220 1 ATOM 1610 N N . GLU 201 201 ? A 0.570 19.599 -7.451 1.000 1 A 92.831 1 ATOM 1611 C CA . GLU 201 201 ? A -0.793 19.821 -6.977 1.000 1 A 92.831 1 ATOM 1612 C C . GLU 201 201 ? A -1.365 18.562 -6.331 1.000 1 A 92.831 1 ATOM 1613 O O . GLU 201 201 ? A -2.074 18.641 -5.326 1.000 1 A 92.831 1 ATOM 1614 C CB . GLU 201 201 ? A -1.695 20.279 -8.126 1.000 1 A 92.831 1 ATOM 1615 C CG . GLU 201 201 ? A -1.370 21.672 -8.645 1.000 1 A 92.831 1 ATOM 1616 C CD . GLU 201 201 ? A -2.219 22.081 -9.838 1.000 1 A 92.831 1 ATOM 1617 O OE1 . GLU 201 201 ? A -2.078 23.228 -10.319 1.000 1 A 92.831 1 ATOM 1618 O OE2 . GLU 201 201 ? A -3.034 21.248 -10.295 1.000 1 A 92.831 1 ATOM 1619 N N . THR 202 202 ? A -0.950 17.435 -6.883 1.000 1 A 93.168 1 ATOM 1620 C CA . THR 202 202 ? A -1.499 16.166 -6.419 1.000 1 A 93.168 1 ATOM 1621 C C . THR 202 202 ? A -0.606 15.551 -5.344 1.000 1 A 93.168 1 ATOM 1622 O O . THR 202 202 ? A -1.098 15.071 -4.321 1.000 1 A 93.168 1 ATOM 1623 C CB . THR 202 202 ? A -1.666 15.171 -7.582 1.000 1 A 93.168 1 ATOM 1624 O OG1 . THR 202 202 ? A -2.492 15.762 -8.593 1.000 1 A 93.168 1 ATOM 1625 C CG2 . THR 202 202 ? A -2.314 13.874 -7.107 1.000 1 A 93.168 1 ATOM 1626 N N . LEU 203 203 ? A 0.697 15.577 -5.423 1.000 1 A 93.724 1 ATOM 1627 C CA . LEU 203 203 ? A 1.645 14.837 -4.598 1.000 1 A 93.724 1 ATOM 1628 C C . LEU 203 203 ? A 1.959 15.598 -3.315 1.000 1 A 93.724 1 ATOM 1629 O O . LEU 203 203 ? A 2.291 14.992 -2.293 1.000 1 A 93.724 1 ATOM 1630 C CB . LEU 203 203 ? A 2.936 14.567 -5.375 1.000 1 A 93.724 1 ATOM 1631 C CG . LEU 203 203 ? A 2.822 13.627 -6.576 1.000 1 A 93.724 1 ATOM 1632 C CD1 . LEU 203 203 ? A 4.112 13.644 -7.388 1.000 1 A 93.724 1 ATOM 1633 C CD2 . LEU 203 203 ? A 2.492 12.211 -6.116 1.000 1 A 93.724 1 ATOM 1634 N N . GLN 204 204 ? A 1.823 16.884 -3.385 1.000 1 A 91.896 1 ATOM 1635 C CA . GLN 204 204 ? A 2.249 17.669 -2.232 1.000 1 A 91.896 1 ATOM 1636 C C . GLN 204 204 ? A 1.050 18.256 -1.492 1.000 1 A 91.896 1 ATOM 1637 O O . GLN 204 204 ? A 1.203 19.160 -0.669 1.000 1 A 91.896 1 ATOM 1638 C CB . GLN 204 204 ? A 3.198 18.789 -2.665 1.000 1 A 91.896 1 ATOM 1639 C CG . GLN 204 204 ? A 4.521 18.289 -3.229 1.000 1 A 91.896 1 ATOM 1640 C CD . GLN 204 204 ? A 5.472 19.418 -3.581 1.000 1 A 91.896 1 ATOM 1641 O OE1 . GLN 204 204 ? A 5.872 20.202 -2.715 1.000 1 A 91.896 1 ATOM 1642 N NE2 . GLN 204 204 ? A 5.839 19.509 -4.855 1.000 1 A 91.896 1 ATOM 1643 N N . ARG 205 205 ? A -0.098 17.743 -1.867 1.000 1 A 93.644 1 ATOM 1644 C CA . ARG 205 205 ? A -1.301 18.159 -1.154 1.000 1 A 93.644 1 ATOM 1645 C C . ARG 205 205 ? A -1.347 17.550 0.244 1.000 1 A 93.644 1 ATOM 1646 O O . ARG 205 205 ? A -0.802 16.469 0.474 1.000 1 A 93.644 1 ATOM 1647 C CB . ARG 205 205 ? A -2.555 17.765 -1.938 1.000 1 A 93.644 1 ATOM 1648 C CG . ARG 205 205 ? A -2.815 16.268 -1.972 1.000 1 A 93.644 1 ATOM 1649 C CD . ARG 205 205 ? A -4.057 15.929 -2.786 1.000 1 A 93.644 1 ATOM 1650 N NE . ARG 205 205 ? A -4.331 14.495 -2.779 1.000 1 A 93.644 1 ATOM 1651 C CZ . ARG 205 205 ? A -4.472 13.745 -3.868 1.000 1 A 93.644 1 ATOM 1652 N NH1 . ARG 205 205 ? A -4.366 14.281 -5.079 1.000 1 A 93.644 1 ATOM 1653 N NH2 . ARG 205 205 ? A -4.720 12.449 -3.747 1.000 1 A 93.644 1 ATOM 1654 N N . THR 206 206 ? A -1.859 18.389 1.101 1.000 1 A 94.112 1 ATOM 1655 C CA . THR 206 206 ? A -2.091 17.957 2.475 1.000 1 A 94.112 1 ATOM 1656 C C . THR 206 206 ? A -3.554 18.148 2.862 1.000 1 A 94.112 1 ATOM 1657 O O . THR 206 206 ? A -3.953 19.235 3.284 1.000 1 A 94.112 1 ATOM 1658 C CB . THR 206 206 ? A -1.191 18.725 3.461 1.000 1 A 94.112 1 ATOM 1659 O OG1 . THR 206 206 ? A -1.405 20.132 3.297 1.000 1 A 94.112 1 ATOM 1660 C CG2 . THR 206 206 ? A 0.282 18.414 3.218 1.000 1 A 94.112 1 ATOM 1661 N N . ASP 207 207 ? A -4.258 17.112 2.658 1.000 1 A 96.009 1 ATOM 1662 C CA . ASP 207 207 ? A -5.682 17.156 2.972 1.000 1 A 96.009 1 ATOM 1663 C C . ASP 207 207 ? A -5.939 16.736 4.418 1.000 1 A 96.009 1 ATOM 1664 O O . ASP 207 207 ? A -5.575 15.630 4.822 1.000 1 A 96.009 1 ATOM 1665 C CB . ASP 207 207 ? A -6.472 16.260 2.016 1.000 1 A 96.009 1 ATOM 1666 C CG . ASP 207 207 ? A -6.328 16.673 0.561 1.000 1 A 96.009 1 ATOM 1667 O OD1 . ASP 207 207 ? A -6.029 17.856 0.290 1.000 1 A 96.009 1 ATOM 1668 O OD2 . ASP 207 207 ? A -6.518 15.808 -0.321 1.000 1 A 96.009 1 ATOM 1669 N N . PRO 208 208 ? A -6.477 17.630 5.180 1.000 1 A 97.159 1 ATOM 1670 C CA . PRO 208 208 ? A -6.765 17.265 6.569 1.000 1 A 97.159 1 ATOM 1671 C C . PRO 208 208 ? A -7.884 16.233 6.689 1.000 1 A 97.159 1 ATOM 1672 O O . PRO 208 208 ? A -8.792 16.203 5.854 1.000 1 A 97.159 1 ATOM 1673 C CB . PRO 208 208 ? A -7.178 18.595 7.204 1.000 1 A 97.159 1 ATOM 1674 C CG . PRO 208 208 ? A -7.755 19.393 6.079 1.000 1 A 97.159 1 ATOM 1675 C CD . PRO 208 208 ? A -7.006 19.056 4.822 1.000 1 A 97.159 1 ATOM 1676 N N . PRO 209 209 ? A -7.798 15.409 7.665 1.000 1 A 97.500 1 ATOM 1677 C CA . PRO 209 209 ? A -8.872 14.431 7.851 1.000 1 A 97.500 1 ATOM 1678 C C . PRO 209 209 ? A -10.173 15.067 8.334 1.000 1 A 97.500 1 ATOM 1679 O O . PRO 209 209 ? A -10.145 16.033 9.101 1.000 1 A 97.500 1 ATOM 1680 C CB . PRO 209 209 ? A -8.304 13.481 8.909 1.000 1 A 97.500 1 ATOM 1681 C CG . PRO 209 209 ? A -7.388 14.329 9.731 1.000 1 A 97.500 1 ATOM 1682 C CD . PRO 209 209 ? A -6.712 15.318 8.826 1.000 1 A 97.500 1 ATOM 1683 N N . LYS 210 210 ? A -11.302 14.592 7.827 1.000 1 A 96.995 1 ATOM 1684 C CA . LYS 210 210 ? A -12.594 14.808 8.472 1.000 1 A 96.995 1 ATOM 1685 C C . LYS 210 210 ? A -12.806 13.826 9.620 1.000 1 A 96.995 1 ATOM 1686 O O . LYS 210 210 ? A -12.886 12.615 9.402 1.000 1 A 96.995 1 ATOM 1687 C CB . LYS 210 210 ? A -13.730 14.681 7.457 1.000 1 A 96.995 1 ATOM 1688 C CG . LYS 210 210 ? A -13.714 15.749 6.373 1.000 1 A 96.995 1 ATOM 1689 C CD . LYS 210 210 ? A -14.866 15.568 5.393 1.000 1 A 96.995 1 ATOM 1690 C CE . LYS 210 210 ? A -14.798 16.578 4.256 1.000 1 A 96.995 1 ATOM 1691 N NZ . LYS 210 210 ? A -15.901 16.376 3.269 1.000 1 A 96.995 1 ATOM 1692 N N . THR 211 211 ? A -12.809 14.432 10.827 1.000 1 A 96.221 1 ATOM 1693 C CA . THR 211 211 ? A -12.826 13.565 12.000 1.000 1 A 96.221 1 ATOM 1694 C C . THR 211 211 ? A -14.170 13.653 12.718 1.000 1 A 96.221 1 ATOM 1695 O O . THR 211 211 ? A -14.832 14.692 12.683 1.000 1 A 96.221 1 ATOM 1696 C CB . THR 211 211 ? A -11.693 13.928 12.978 1.000 1 A 96.221 1 ATOM 1697 O OG1 . THR 211 211 ? A -11.817 15.305 13.354 1.000 1 A 96.221 1 ATOM 1698 C CG2 . THR 211 211 ? A -10.325 13.707 12.342 1.000 1 A 96.221 1 ATOM 1699 N N . HIS 212 212 ? A -14.603 12.599 13.218 1.000 1 A 93.920 1 ATOM 1700 C CA . HIS 212 212 ? A -15.771 12.568 14.090 1.000 1 A 93.920 1 ATOM 1701 C C . HIS 212 212 ? A -15.740 11.351 15.009 1.000 1 A 93.920 1 ATOM 1702 O O . HIS 212 212 ? A -14.944 10.432 14.803 1.000 1 A 93.920 1 ATOM 1703 C CB . HIS 212 212 ? A -17.058 12.567 13.262 1.000 1 A 93.920 1 ATOM 1704 C CG . HIS 212 212 ? A -17.255 11.320 12.461 1.000 1 A 93.920 1 ATOM 1705 N ND1 . HIS 212 212 ? A -16.613 11.096 11.263 1.000 1 A 93.920 1 ATOM 1706 C CD2 . HIS 212 212 ? A -18.023 10.228 12.690 1.000 1 A 93.920 1 ATOM 1707 C CE1 . HIS 212 212 ? A -16.979 9.917 10.788 1.000 1 A 93.920 1 ATOM 1708 N NE2 . HIS 212 212 ? A -17.833 9.370 11.635 1.000 1 A 93.920 1 ATOM 1709 N N . MET 213 213 ? A -16.552 11.445 16.028 1.000 1 A 93.627 1 ATOM 1710 C CA . MET 213 213 ? A -16.655 10.363 17.003 1.000 1 A 93.627 1 ATOM 1711 C C . MET 213 213 ? A -18.051 9.748 16.988 1.000 1 A 93.627 1 ATOM 1712 O O . MET 213 213 ? A -19.049 10.466 16.919 1.000 1 A 93.627 1 ATOM 1713 C CB . MET 213 213 ? A -16.322 10.869 18.407 1.000 1 A 93.627 1 ATOM 1714 C CG . MET 213 213 ? A -16.078 9.760 19.417 1.000 1 A 93.627 1 ATOM 1715 S SD . MET 213 213 ? A -15.439 10.393 21.017 1.000 1 A 93.627 1 ATOM 1716 C CE . MET 213 213 ? A -16.982 10.987 21.765 1.000 1 A 93.627 1 ATOM 1717 N N . THR 214 214 ? A -18.037 8.450 17.009 1.000 1 A 92.125 1 ATOM 1718 C CA . THR 214 214 ? A -19.317 7.759 17.116 1.000 1 A 92.125 1 ATOM 1719 C C . THR 214 214 ? A -19.397 6.968 18.419 1.000 1 A 92.125 1 ATOM 1720 O O . THR 214 214 ? A -18.371 6.561 18.968 1.000 1 A 92.125 1 ATOM 1721 C CB . THR 214 214 ? A -19.541 6.812 15.923 1.000 1 A 92.125 1 ATOM 1722 O OG1 . THR 214 214 ? A -18.453 5.883 15.846 1.000 1 A 92.125 1 ATOM 1723 C CG2 . THR 214 214 ? A -19.626 7.588 14.613 1.000 1 A 92.125 1 ATOM 1724 N N . HIS 215 215 ? A -20.676 6.888 18.902 1.000 1 A 91.878 1 ATOM 1725 C CA . HIS 215 215 ? A -21.014 6.211 20.149 1.000 1 A 91.878 1 ATOM 1726 C C . HIS 215 215 ? A -21.917 5.008 19.896 1.000 1 A 91.878 1 ATOM 1727 O O . HIS 215 215 ? A -22.971 5.139 19.270 1.000 1 A 91.878 1 ATOM 1728 C CB . HIS 215 215 ? A -21.692 7.182 21.118 1.000 1 A 91.878 1 ATOM 1729 C CG . HIS 215 215 ? A -22.143 6.541 22.392 1.000 1 A 91.878 1 ATOM 1730 N ND1 . HIS 215 215 ? A -23.458 6.206 22.631 1.000 1 A 91.878 1 ATOM 1731 C CD2 . HIS 215 215 ? A -21.451 6.171 23.495 1.000 1 A 91.878 1 ATOM 1732 C CE1 . HIS 215 215 ? A -23.556 5.657 23.830 1.000 1 A 91.878 1 ATOM 1733 N NE2 . HIS 215 215 ? A -22.352 5.624 24.375 1.000 1 A 91.878 1 ATOM 1734 N N . HIS 216 216 ? A -21.391 3.859 20.321 1.000 1 A 91.443 1 ATOM 1735 C CA . HIS 216 216 ? A -22.144 2.629 20.106 1.000 1 A 91.443 1 ATOM 1736 C C . HIS 216 216 ? A -22.372 1.886 21.418 1.000 1 A 91.443 1 ATOM 1737 O O . HIS 216 216 ? A -21.475 1.197 21.911 1.000 1 A 91.443 1 ATOM 1738 C CB . HIS 216 216 ? A -21.418 1.723 19.110 1.000 1 A 91.443 1 ATOM 1739 C CG . HIS 216 216 ? A -21.181 2.364 17.779 1.000 1 A 91.443 1 ATOM 1740 N ND1 . HIS 216 216 ? A -22.138 2.396 16.788 1.000 1 A 91.443 1 ATOM 1741 C CD2 . HIS 216 216 ? A -20.095 3.000 17.279 1.000 1 A 91.443 1 ATOM 1742 C CE1 . HIS 216 216 ? A -21.648 3.025 15.732 1.000 1 A 91.443 1 ATOM 1743 N NE2 . HIS 216 216 ? A -20.410 3.401 16.005 1.000 1 A 91.443 1 ATOM 1744 N N . PRO 217 217 ? A -23.666 2.052 21.945 1.000 1 A 91.678 1 ATOM 1745 C CA . PRO 217 217 ? A -23.974 1.340 23.188 1.000 1 A 91.678 1 ATOM 1746 C C . PRO 217 217 ? A -23.917 -0.177 23.029 1.000 1 A 91.678 1 ATOM 1747 O O . PRO 217 217 ? A -24.441 -0.720 22.052 1.000 1 A 91.678 1 ATOM 1748 C CB . PRO 217 217 ? A -25.396 1.802 23.515 1.000 1 A 91.678 1 ATOM 1749 C CG . PRO 217 217 ? A -25.581 3.058 22.727 1.000 1 A 91.678 1 ATOM 1750 C CD . PRO 217 217 ? A -24.739 2.971 21.486 1.000 1 A 91.678 1 ATOM 1751 N N . ILE 218 218 ? A -23.173 -0.856 23.883 1.000 1 A 91.352 1 ATOM 1752 C CA . ILE 218 218 ? A -23.094 -2.313 23.891 1.000 1 A 91.352 1 ATOM 1753 C C . ILE 218 218 ? A -24.060 -2.877 24.930 1.000 1 A 91.352 1 ATOM 1754 O O . ILE 218 218 ? A -24.828 -3.796 24.639 1.000 1 A 91.352 1 ATOM 1755 C CB . ILE 218 218 ? A -21.656 -2.799 24.176 1.000 1 A 91.352 1 ATOM 1756 C CG1 . ILE 218 218 ? A -20.694 -2.286 23.098 1.000 1 A 91.352 1 ATOM 1757 C CG2 . ILE 218 218 ? A -21.610 -4.327 24.268 1.000 1 A 91.352 1 ATOM 1758 C CD1 . ILE 218 218 ? A -19.224 -2.510 23.423 1.000 1 A 91.352 1 ATOM 1759 N N . SER 219 219 ? A -24.058 -2.342 26.214 1.000 1 A 92.485 1 ATOM 1760 C CA . SER 219 219 ? A -24.911 -2.634 27.362 1.000 1 A 92.485 1 ATOM 1761 C C . SER 219 219 ? A -25.125 -1.393 28.222 1.000 1 A 92.485 1 ATOM 1762 O O . SER 219 219 ? A -24.674 -0.301 27.868 1.000 1 A 92.485 1 ATOM 1763 C CB . SER 219 219 ? A -24.303 -3.753 28.209 1.000 1 A 92.485 1 ATOM 1764 O OG . SER 219 219 ? A -23.172 -3.286 28.923 1.000 1 A 92.485 1 ATOM 1765 N N . ASP 220 220 ? A -25.850 -1.615 29.269 1.000 1 A 90.303 1 ATOM 1766 C CA . ASP 220 220 ? A -26.090 -0.518 30.203 1.000 1 A 90.303 1 ATOM 1767 C C . ASP 220 220 ? A -24.786 -0.048 30.844 1.000 1 A 90.303 1 ATOM 1768 O O . ASP 220 220 ? A -24.710 1.068 31.362 1.000 1 A 90.303 1 ATOM 1769 C CB . ASP 220 220 ? A -27.085 -0.942 31.285 1.000 1 A 90.303 1 ATOM 1770 C CG . ASP 220 220 ? A -28.497 -1.122 30.754 1.000 1 A 90.303 1 ATOM 1771 O OD1 . ASP 220 220 ? A -28.816 -0.580 29.674 1.000 1 A 90.303 1 ATOM 1772 O OD2 . ASP 220 220 ? A -29.298 -1.809 31.424 1.000 1 A 90.303 1 ATOM 1773 N N . HIS 221 221 ? A -23.730 -0.806 30.736 1.000 1 A 94.580 1 ATOM 1774 C CA . HIS 221 221 ? A -22.496 -0.516 31.458 1.000 1 A 94.580 1 ATOM 1775 C C . HIS 221 221 ? A -21.346 -0.242 30.496 1.000 1 A 94.580 1 ATOM 1776 O O . HIS 221 221 ? A -20.291 0.248 30.905 1.000 1 A 94.580 1 ATOM 1777 C CB . HIS 221 221 ? A -22.137 -1.674 32.391 1.000 1 A 94.580 1 ATOM 1778 C CG . HIS 221 221 ? A -23.219 -2.021 33.363 1.000 1 A 94.580 1 ATOM 1779 N ND1 . HIS 221 221 ? A -23.627 -1.161 34.360 1.000 1 A 94.580 1 ATOM 1780 C CD2 . HIS 221 221 ? A -23.980 -3.134 33.486 1.000 1 A 94.580 1 ATOM 1781 C CE1 . HIS 221 221 ? A -24.594 -1.733 35.057 1.000 1 A 94.580 1 ATOM 1782 N NE2 . HIS 221 221 ? A -24.828 -2.931 34.548 1.000 1 A 94.580 1 ATOM 1783 N N . GLU 222 222 ? A -21.553 -0.512 29.232 1.000 1 A 95.499 1 ATOM 1784 C CA . GLU 222 222 ? A -20.442 -0.362 28.297 1.000 1 A 95.499 1 ATOM 1785 C C . GLU 222 222 ? A -20.900 0.282 26.993 1.000 1 A 95.499 1 ATOM 1786 O O . GLU 222 222 ? A -22.057 0.132 26.593 1.000 1 A 95.499 1 ATOM 1787 C CB . GLU 222 222 ? A -19.791 -1.719 28.014 1.000 1 A 95.499 1 ATOM 1788 C CG . GLU 222 222 ? A -19.038 -2.300 29.201 1.000 1 A 95.499 1 ATOM 1789 C CD . GLU 222 222 ? A -18.349 -3.618 28.888 1.000 1 A 95.499 1 ATOM 1790 O OE1 . GLU 222 222 ? A -17.324 -3.936 29.534 1.000 1 A 95.499 1 ATOM 1791 O OE2 . GLU 222 222 ? A -18.836 -4.339 27.988 1.000 1 A 95.499 1 ATOM 1792 N N . ALA 223 223 ? A -19.967 0.985 26.505 1.000 1 A 94.383 1 ATOM 1793 C CA . ALA 223 223 ? A -20.153 1.574 25.181 1.000 1 A 94.383 1 ATOM 1794 C C . ALA 223 223 ? A -18.843 1.586 24.397 1.000 1 A 94.383 1 ATOM 1795 O O . ALA 223 223 ? A -17.761 1.531 24.985 1.000 1 A 94.383 1 ATOM 1796 C CB . ALA 223 223 ? A -20.711 2.990 25.301 1.000 1 A 94.383 1 ATOM 1797 N N . THR 224 224 ? A -18.949 1.514 23.073 1.000 1 A 94.973 1 ATOM 1798 C CA . THR 224 224 ? A -17.790 1.650 22.198 1.000 1 A 94.973 1 ATOM 1799 C C . THR 224 224 ? A -17.729 3.050 21.594 1.000 1 A 94.973 1 ATOM 1800 O O . THR 224 224 ? A -18.703 3.519 21.002 1.000 1 A 94.973 1 ATOM 1801 C CB . THR 224 224 ? A -17.816 0.602 21.070 1.000 1 A 94.973 1 ATOM 1802 O OG1 . THR 224 224 ? A -17.806 -0.710 21.645 1.000 1 A 94.973 1 ATOM 1803 C CG2 . THR 224 224 ? A -16.607 0.752 20.152 1.000 1 A 94.973 1 ATOM 1804 N N . LEU 225 225 ? A -16.608 3.719 21.846 1.000 1 A 95.360 1 ATOM 1805 C CA . LEU 225 225 ? A -16.307 4.980 21.176 1.000 1 A 95.360 1 ATOM 1806 C C . LEU 225 225 ? A -15.385 4.754 19.982 1.000 1 A 95.360 1 ATOM 1807 O O . LEU 225 225 ? A -14.365 4.070 20.101 1.000 1 A 95.360 1 ATOM 1808 C CB . LEU 225 225 ? A -15.663 5.966 22.153 1.000 1 A 95.360 1 ATOM 1809 C CG . LEU 225 225 ? A -16.519 6.394 23.347 1.000 1 A 95.360 1 ATOM 1810 C CD1 . LEU 225 225 ? A -15.737 7.347 24.244 1.000 1 A 95.360 1 ATOM 1811 C CD2 . LEU 225 225 ? A -17.815 7.041 22.871 1.000 1 A 95.360 1 ATOM 1812 N N . ARG 226 226 ? A -15.757 5.371 18.921 1.000 1 A 95.197 1 ATOM 1813 C CA . ARG 226 226 ? A -14.965 5.224 17.705 1.000 1 A 95.197 1 ATOM 1814 C C . ARG 226 226 ? A -14.552 6.585 17.153 1.000 1 A 95.197 1 ATOM 1815 O O . ARG 226 226 ? A -15.394 7.464 16.960 1.000 1 A 95.197 1 ATOM 1816 C CB . ARG 226 226 ? A -15.746 4.445 16.645 1.000 1 A 95.197 1 ATOM 1817 C CG . ARG 226 226 ? A -14.900 3.990 15.466 1.000 1 A 95.197 1 ATOM 1818 C CD . ARG 226 226 ? A -15.675 3.063 14.540 1.000 1 A 95.197 1 ATOM 1819 N NE . ARG 226 226 ? A -15.828 1.730 15.115 1.000 1 A 95.197 1 ATOM 1820 C CZ . ARG 226 226 ? A -16.712 0.825 14.705 1.000 1 A 95.197 1 ATOM 1821 N NH1 . ARG 226 226 ? A -17.544 1.093 13.705 1.000 1 A 95.197 1 ATOM 1822 N NH2 . ARG 226 226 ? A -16.766 -0.358 15.300 1.000 1 A 95.197 1 ATOM 1823 N N . CYS 227 227 ? A -13.282 6.651 16.880 1.000 1 A 96.275 1 ATOM 1824 C CA . CYS 227 227 ? A -12.697 7.848 16.286 1.000 1 A 96.275 1 ATOM 1825 C C . CYS 227 227 ? A -12.417 7.640 14.803 1.000 1 A 96.275 1 ATOM 1826 O O . CYS 227 227 ? A -11.572 6.822 14.435 1.000 1 A 96.275 1 ATOM 1827 C CB . CYS 227 227 ? A -11.405 8.229 17.009 1.000 1 A 96.275 1 ATOM 1828 S SG . CYS 227 227 ? A -10.633 9.734 16.375 1.000 1 A 96.275 1 ATOM 1829 N N . TRP 228 228 ? A -13.102 8.507 14.031 1.000 1 A 95.815 1 ATOM 1830 C CA . TRP 228 228 ? A -12.991 8.380 12.582 1.000 1 A 95.815 1 ATOM 1831 C C . TRP 228 228 ? A -12.093 9.470 12.006 1.000 1 A 95.815 1 ATOM 1832 O O . TRP 228 228 ? A -12.157 10.625 12.434 1.000 1 A 95.815 1 ATOM 1833 C CB . TRP 228 228 ? A -14.375 8.443 11.929 1.000 1 A 95.815 1 ATOM 1834 C CG . TRP 228 228 ? A -15.247 7.263 12.236 1.000 1 A 95.815 1 ATOM 1835 C CD1 . TRP 228 228 ? A -16.070 7.105 13.316 1.000 1 A 95.815 1 ATOM 1836 C CD2 . TRP 228 228 ? A -15.379 6.072 11.454 1.000 1 A 95.815 1 ATOM 1837 N NE1 . TRP 228 228 ? A -16.707 5.887 13.252 1.000 1 A 95.815 1 ATOM 1838 C CE2 . TRP 228 228 ? A -16.300 5.234 12.120 1.000 1 A 95.815 1 ATOM 1839 C CE3 . TRP 228 228 ? A -14.807 5.631 10.253 1.000 1 A 95.815 1 ATOM 1840 C CZ2 . TRP 228 228 ? A -16.663 3.979 11.624 1.000 1 A 95.815 1 ATOM 1841 C CZ3 . TRP 228 228 ? A -15.169 4.383 9.761 1.000 1 A 95.815 1 ATOM 1842 C CH2 . TRP 228 228 ? A -16.089 3.573 10.447 1.000 1 A 95.815 1 ATOM 1843 N N . ALA 229 229 ? A -11.296 9.080 11.022 1.000 1 A 97.444 1 ATOM 1844 C CA . ALA 229 229 ? A -10.537 9.973 10.150 1.000 1 A 97.444 1 ATOM 1845 C C . ALA 229 229 ? A -10.723 9.595 8.683 1.000 1 A 97.444 1 ATOM 1846 O O . ALA 229 229 ? A -10.288 8.525 8.251 1.000 1 A 97.444 1 ATOM 1847 C CB . ALA 229 229 ? A -9.056 9.945 10.519 1.000 1 A 97.444 1 ATOM 1848 N N . LEU 230 230 ? A -11.357 10.542 7.984 1.000 1 A 96.575 1 ATOM 1849 C CA . LEU 230 230 ? A -11.747 10.226 6.614 1.000 1 A 96.575 1 ATOM 1850 C C . LEU 230 230 ? A -11.184 11.253 5.637 1.000 1 A 96.575 1 ATOM 1851 O O . LEU 230 230 ? A -11.017 12.423 5.988 1.000 1 A 96.575 1 ATOM 1852 C CB . LEU 230 230 ? A -13.272 10.170 6.490 1.000 1 A 96.575 1 ATOM 1853 C CG . LEU 230 230 ? A -14.001 9.269 7.489 1.000 1 A 96.575 1 ATOM 1854 C CD1 . LEU 230 230 ? A -15.509 9.462 7.374 1.000 1 A 96.575 1 ATOM 1855 C CD2 . LEU 230 230 ? A -13.624 7.808 7.265 1.000 1 A 96.575 1 ATOM 1856 N N . GLY 231 231 ? A -10.842 10.855 4.427 1.000 1 A 96.441 1 ATOM 1857 C CA . GLY 231 231 ? A -10.557 11.724 3.296 1.000 1 A 96.441 1 ATOM 1858 C C . GLY 231 231 ? A -9.250 12.481 3.439 1.000 1 A 96.441 1 ATOM 1859 O O . GLY 231 231 ? A -9.136 13.623 2.990 1.000 1 A 96.441 1 ATOM 1860 N N . PHE 232 232 ? A -8.266 11.858 4.100 1.000 1 A 96.956 1 ATOM 1861 C CA . PHE 232 232 ? A -7.032 12.597 4.339 1.000 1 A 96.956 1 ATOM 1862 C C . PHE 232 232 ? A -5.927 12.121 3.404 1.000 1 A 96.956 1 ATOM 1863 O O . PHE 232 232 ? A -5.982 11.003 2.887 1.000 1 A 96.956 1 ATOM 1864 C CB . PHE 232 232 ? A -6.588 12.447 5.797 1.000 1 A 96.956 1 ATOM 1865 C CG . PHE 232 232 ? A -6.358 11.020 6.218 1.000 1 A 96.956 1 ATOM 1866 C CD1 . PHE 232 232 ? A -7.393 10.264 6.755 1.000 1 A 96.956 1 ATOM 1867 C CD2 . PHE 232 232 ? A -5.107 10.435 6.076 1.000 1 A 96.956 1 ATOM 1868 C CE1 . PHE 232 232 ? A -7.184 8.943 7.145 1.000 1 A 96.956 1 ATOM 1869 C CE2 . PHE 232 232 ? A -4.890 9.115 6.463 1.000 1 A 96.956 1 ATOM 1870 C CZ . PHE 232 232 ? A -5.929 8.372 6.999 1.000 1 A 96.956 1 ATOM 1871 N N . TYR 233 233 ? A -4.986 12.891 3.124 1.000 1 A 95.808 1 ATOM 1872 C CA . TYR 233 233 ? A -3.727 12.698 2.413 1.000 1 A 95.808 1 ATOM 1873 C C . TYR 233 233 ? A -2.640 13.610 2.969 1.000 1 A 95.808 1 ATOM 1874 O O . TYR 233 233 ? A -2.880 14.795 3.212 1.000 1 A 95.808 1 ATOM 1875 C CB . TYR 233 233 ? A -3.910 12.958 0.915 1.000 1 A 95.808 1 ATOM 1876 C CG . TYR 233 233 ? A -2.690 12.632 0.089 1.000 1 A 95.808 1 ATOM 1877 C CD1 . TYR 233 233 ? A -1.684 13.576 -0.105 1.000 1 A 95.808 1 ATOM 1878 C CD2 . TYR 233 233 ? A -2.540 11.381 -0.500 1.000 1 A 95.808 1 ATOM 1879 C CE1 . TYR 233 233 ? A -0.558 13.281 -0.867 1.000 1 A 95.808 1 ATOM 1880 C CE2 . TYR 233 233 ? A -1.419 11.075 -1.265 1.000 1 A 95.808 1 ATOM 1881 C CZ . TYR 233 233 ? A -0.435 12.030 -1.442 1.000 1 A 95.808 1 ATOM 1882 O OH . TYR 233 233 ? A 0.678 11.733 -2.197 1.000 1 A 95.808 1 ATOM 1883 N N . PRO 234 234 ? A -1.355 12.931 3.000 1.000 1 A 93.715 1 ATOM 1884 C CA . PRO 234 234 ? A -0.870 11.574 2.736 1.000 1 A 93.715 1 ATOM 1885 C C . PRO 234 234 ? A -1.379 10.558 3.755 1.000 1 A 93.715 1 ATOM 1886 O O . PRO 234 234 ? A -2.090 10.923 4.695 1.000 1 A 93.715 1 ATOM 1887 C CB . PRO 234 234 ? A 0.651 11.720 2.823 1.000 1 A 93.715 1 ATOM 1888 C CG . PRO 234 234 ? A 0.875 12.798 3.834 1.000 1 A 93.715 1 ATOM 1889 C CD . PRO 234 234 ? A -0.241 13.796 3.722 1.000 1 A 93.715 1 ATOM 1890 N N . ALA 235 235 ? A -1.035 9.232 3.516 1.000 1 A 94.701 1 ATOM 1891 C CA . ALA 235 235 ? A -1.609 8.074 4.197 1.000 1 A 94.701 1 ATOM 1892 C C . ALA 235 235 ? A -1.195 8.040 5.665 1.000 1 A 94.701 1 ATOM 1893 O O . ALA 235 235 ? A -1.912 7.494 6.506 1.000 1 A 94.701 1 ATOM 1894 C CB . ALA 235 235 ? A -1.189 6.784 3.498 1.000 1 A 94.701 1 ATOM 1895 N N . GLU 236 236 ? A -0.046 8.752 6.017 1.000 1 A 93.839 1 ATOM 1896 C CA . GLU 236 236 ? A 0.469 8.665 7.381 1.000 1 A 93.839 1 ATOM 1897 C C . GLU 236 236 ? A -0.364 9.511 8.340 1.000 1 A 93.839 1 ATOM 1898 O O . GLU 236 236 ? A -0.470 10.727 8.171 1.000 1 A 93.839 1 ATOM 1899 C CB . GLU 236 236 ? A 1.935 9.103 7.431 1.000 1 A 93.839 1 ATOM 1900 C CG . GLU 236 236 ? A 2.599 8.873 8.781 1.000 1 A 93.839 1 ATOM 1901 C CD . GLU 236 236 ? A 3.407 7.586 8.840 1.000 1 A 93.839 1 ATOM 1902 O OE1 . GLU 236 236 ? A 3.803 7.169 9.953 1.000 1 A 93.839 1 ATOM 1903 O OE2 . GLU 236 236 ? A 3.647 6.991 7.766 1.000 1 A 93.839 1 ATOM 1904 N N . ILE 237 237 ? A -0.997 8.954 9.334 1.000 1 A 95.337 1 ATOM 1905 C CA . ILE 237 237 ? A -1.839 9.591 10.341 1.000 1 A 95.337 1 ATOM 1906 C C . ILE 237 237 ? A -1.741 8.823 11.657 1.000 1 A 95.337 1 ATOM 1907 O O . ILE 237 237 ? A -1.480 7.617 11.661 1.000 1 A 95.337 1 ATOM 1908 C CB . ILE 237 237 ? A -3.311 9.673 9.877 1.000 1 A 95.337 1 ATOM 1909 C CG1 . ILE 237 237 ? A -4.135 10.511 10.861 1.000 1 A 95.337 1 ATOM 1910 C CG2 . ILE 237 237 ? A -3.906 8.271 9.720 1.000 1 A 95.337 1 ATOM 1911 C CD1 . ILE 237 237 ? A -5.534 10.850 10.365 1.000 1 A 95.337 1 ATOM 1912 N N . THR 238 238 ? A -1.878 9.507 12.733 1.000 1 A 95.222 1 ATOM 1913 C CA . THR 238 238 ? A -1.858 8.879 14.049 1.000 1 A 95.222 1 ATOM 1914 C C . THR 238 238 ? A -3.151 9.169 14.807 1.000 1 A 95.222 1 ATOM 1915 O O . THR 238 238 ? A -3.526 10.330 14.983 1.000 1 A 95.222 1 ATOM 1916 C CB . THR 238 238 ? A -0.654 9.360 14.880 1.000 1 A 95.222 1 ATOM 1917 O OG1 . THR 238 238 ? A 0.556 9.069 14.169 1.000 1 A 95.222 1 ATOM 1918 C CG2 . THR 238 238 ? A -0.611 8.668 16.238 1.000 1 A 95.222 1 ATOM 1919 N N . LEU 239 239 ? A -3.844 8.039 15.269 1.000 1 A 96.645 1 ATOM 1920 C CA . LEU 239 239 ? A -5.017 8.115 16.134 1.000 1 A 96.645 1 ATOM 1921 C C . LEU 239 239 ? A -4.732 7.482 17.491 1.000 1 A 96.645 1 ATOM 1922 O O . LEU 239 239 ? A -4.438 6.287 17.575 1.000 1 A 96.645 1 ATOM 1923 C CB . LEU 239 239 ? A -6.214 7.423 15.476 1.000 1 A 96.645 1 ATOM 1924 C CG . LEU 239 239 ? A -6.605 7.923 14.084 1.000 1 A 96.645 1 ATOM 1925 C CD1 . LEU 239 239 ? A -7.873 7.223 13.607 1.000 1 A 96.645 1 ATOM 1926 C CD2 . LEU 239 239 ? A -6.795 9.436 14.093 1.000 1 A 96.645 1 ATOM 1927 N N . THR 240 240 ? A -4.833 8.333 18.556 1.000 1 A 95.659 1 ATOM 1928 C CA . THR 240 240 ? A -4.533 7.839 19.895 1.000 1 A 95.659 1 ATOM 1929 C C . THR 240 240 ? A -5.693 8.119 20.847 1.000 1 A 95.659 1 ATOM 1930 O O . THR 240 240 ? A -6.135 9.262 20.976 1.000 1 A 95.659 1 ATOM 1931 C CB . THR 240 240 ? A -3.246 8.477 20.450 1.000 1 A 95.659 1 ATOM 1932 O OG1 . THR 240 240 ? A -2.177 8.270 19.517 1.000 1 A 95.659 1 ATOM 1933 C CG2 . THR 240 240 ? A -2.860 7.861 21.791 1.000 1 A 95.659 1 ATOM 1934 N N . TRP 241 241 ? A -6.145 7.064 21.516 1.000 1 A 96.079 1 ATOM 1935 C CA . TRP 241 241 ? A -7.137 7.229 22.573 1.000 1 A 96.079 1 ATOM 1936 C C . TRP 241 241 ? A -6.463 7.503 23.914 1.000 1 A 96.079 1 ATOM 1937 O O . TRP 241 241 ? A -5.467 6.862 24.257 1.000 1 A 96.079 1 ATOM 1938 C CB . TRP 241 241 ? A -8.024 5.985 22.678 1.000 1 A 96.079 1 ATOM 1939 C CG . TRP 241 241 ? A -9.155 5.959 21.694 1.000 1 A 96.079 1 ATOM 1940 C CD1 . TRP 241 241 ? A -9.234 5.214 20.550 1.000 1 A 96.079 1 ATOM 1941 C CD2 . TRP 241 241 ? A -10.367 6.716 21.764 1.000 1 A 96.079 1 ATOM 1942 N NE1 . TRP 241 241 ? A -10.424 5.462 19.905 1.000 1 A 96.079 1 ATOM 1943 C CE2 . TRP 241 241 ? A -11.136 6.379 20.629 1.000 1 A 96.079 1 ATOM 1944 C CE3 . TRP 241 241 ? A -10.877 7.647 22.679 1.000 1 A 96.079 1 ATOM 1945 C CZ2 . TRP 241 241 ? A -12.392 6.942 20.384 1.000 1 A 96.079 1 ATOM 1946 C CZ3 . TRP 241 241 ? A -12.126 8.206 22.434 1.000 1 A 96.079 1 ATOM 1947 C CH2 . TRP 241 241 ? A -12.868 7.850 21.295 1.000 1 A 96.079 1 ATOM 1948 N N . GLN 242 242 ? A -7.063 8.510 24.623 1.000 1 A 95.918 1 ATOM 1949 C CA . GLN 242 242 ? A -6.579 8.829 25.962 1.000 1 A 95.918 1 ATOM 1950 C C . GLN 242 242 ? A -7.728 8.881 26.965 1.000 1 A 95.918 1 ATOM 1951 O O . GLN 242 242 ? A -8.826 9.334 26.636 1.000 1 A 95.918 1 ATOM 1952 C CB . GLN 242 242 ? A -5.825 10.159 25.959 1.000 1 A 95.918 1 ATOM 1953 C CG . GLN 242 242 ? A -4.493 10.109 25.221 1.000 1 A 95.918 1 ATOM 1954 C CD . GLN 242 242 ? A -3.713 11.406 25.330 1.000 1 A 95.918 1 ATOM 1955 O OE1 . GLN 242 242 ? A -4.283 12.467 25.602 1.000 1 A 95.918 1 ATOM 1956 N NE2 . GLN 242 242 ? A -2.404 11.330 25.116 1.000 1 A 95.918 1 ATOM 1957 N N . ARG 243 243 ? A -7.409 8.311 28.134 1.000 1 A 95.482 1 ATOM 1958 C CA . ARG 243 243 ? A -8.261 8.459 29.309 1.000 1 A 95.482 1 ATOM 1959 C C . ARG 243 243 ? A -7.599 9.347 30.357 1.000 1 A 95.482 1 ATOM 1960 O O . ARG 243 243 ? A -6.555 8.993 30.909 1.000 1 A 95.482 1 ATOM 1961 C CB . ARG 243 243 ? A -8.588 7.092 29.913 1.000 1 A 95.482 1 ATOM 1962 C CG . ARG 243 243 ? A -9.469 7.159 31.150 1.000 1 A 95.482 1 ATOM 1963 C CD . ARG 243 243 ? A -9.691 5.782 31.760 1.000 1 A 95.482 1 ATOM 1964 N NE . ARG 243 243 ? A -10.455 5.860 33.002 1.000 1 A 95.482 1 ATOM 1965 C CZ . ARG 243 243 ? A -10.743 4.821 33.781 1.000 1 A 95.482 1 ATOM 1966 N NH1 . ARG 243 243 ? A -10.335 3.598 33.460 1.000 1 A 95.482 1 ATOM 1967 N NH2 . ARG 243 243 ? A -11.446 5.004 34.890 1.000 1 A 95.482 1 ATOM 1968 N N . ASP 244 244 ? A -8.181 10.528 30.568 1.000 1 A 92.963 1 ATOM 1969 C CA . ASP 244 244 ? A -7.615 11.479 31.519 1.000 1 A 92.963 1 ATOM 1970 C C . ASP 244 244 ? A -6.135 11.728 31.232 1.000 1 A 92.963 1 ATOM 1971 O O . ASP 244 244 ? A -5.315 11.749 32.152 1.000 1 A 92.963 1 ATOM 1972 C CB . ASP 244 244 ? A -7.795 10.977 32.953 1.000 1 A 92.963 1 ATOM 1973 C CG . ASP 244 244 ? A -9.253 10.872 33.365 1.000 1 A 92.963 1 ATOM 1974 O OD1 . ASP 244 244 ? A -10.053 11.765 33.012 1.000 1 A 92.963 1 ATOM 1975 O OD2 . ASP 244 244 ? A -9.605 9.888 34.052 1.000 1 A 92.963 1 ATOM 1976 N N . GLY 245 245 ? A -5.800 11.695 29.967 1.000 1 A 91.791 1 ATOM 1977 C CA . GLY 245 245 ? A -4.452 12.048 29.551 1.000 1 A 91.791 1 ATOM 1978 C C . GLY 245 245 ? A -3.548 10.843 29.372 1.000 1 A 91.791 1 ATOM 1979 O O . GLY 245 245 ? A -2.420 10.973 28.893 1.000 1 A 91.791 1 ATOM 1980 N N . GLU 246 246 ? A -3.980 9.643 29.758 1.000 1 A 94.768 1 ATOM 1981 C CA . GLU 246 246 ? A -3.175 8.432 29.631 1.000 1 A 94.768 1 ATOM 1982 C C . GLU 246 246 ? A -3.535 7.660 28.365 1.000 1 A 94.768 1 ATOM 1983 O O . GLU 246 246 ? A -4.711 7.390 28.110 1.000 1 A 94.768 1 ATOM 1984 C CB . GLU 246 246 ? A -3.351 7.538 30.861 1.000 1 A 94.768 1 ATOM 1985 C CG . GLU 246 246 ? A -2.780 8.132 32.140 1.000 1 A 94.768 1 ATOM 1986 C CD . GLU 246 246 ? A -2.917 7.212 33.343 1.000 1 A 94.768 1 ATOM 1987 O OE1 . GLU 246 246 ? A -2.460 7.584 34.447 1.000 1 A 94.768 1 ATOM 1988 O OE2 . GLU 246 246 ? A -3.484 6.109 33.178 1.000 1 A 94.768 1 ATOM 1989 N N . ASP 247 247 ? A -2.514 7.202 27.606 1.000 1 A 93.313 1 ATOM 1990 C CA . ASP 247 247 ? A -2.687 6.450 26.368 1.000 1 A 93.313 1 ATOM 1991 C C . ASP 247 247 ? A -3.360 5.105 26.632 1.000 1 A 93.313 1 ATOM 1992 O O . ASP 247 247 ? A -3.014 4.409 27.589 1.000 1 A 93.313 1 ATOM 1993 C CB . ASP 247 247 ? A -1.339 6.237 25.676 1.000 1 A 93.313 1 ATOM 1994 C CG . ASP 247 247 ? A -0.814 7.492 25.002 1.000 1 A 93.313 1 ATOM 1995 O OD1 . ASP 247 247 ? A -1.512 8.529 25.014 1.000 1 A 93.313 1 ATOM 1996 O OD2 . ASP 247 247 ? A 0.308 7.443 24.452 1.000 1 A 93.313 1 ATOM 1997 N N . GLN 248 248 ? A -4.360 4.805 25.862 1.000 1 A 92.339 1 ATOM 1998 C CA . GLN 248 248 ? A -5.083 3.540 25.941 1.000 1 A 92.339 1 ATOM 1999 C C . GLN 248 248 ? A -4.699 2.615 24.790 1.000 1 A 92.339 1 ATOM 2000 O O . GLN 248 248 ? A -5.556 1.938 24.219 1.000 1 A 92.339 1 ATOM 2001 C CB . GLN 248 248 ? A -6.593 3.783 25.939 1.000 1 A 92.339 1 ATOM 2002 C CG . GLN 248 248 ? A -7.084 4.610 27.119 1.000 1 A 92.339 1 ATOM 2003 C CD . GLN 248 248 ? A -6.871 3.917 28.452 1.000 1 A 92.339 1 ATOM 2004 O OE1 . GLN 248 248 ? A -7.271 2.764 28.638 1.000 1 A 92.339 1 ATOM 2005 N NE2 . GLN 248 248 ? A -6.239 4.616 29.389 1.000 1 A 92.339 1 ATOM 2006 N N . THR 249 249 ? A -3.471 2.475 24.368 1.000 1 A 85.511 1 ATOM 2007 C CA . THR 249 249 ? A -2.974 1.750 23.204 1.000 1 A 85.511 1 ATOM 2008 C C . THR 249 249 ? A -3.358 0.275 23.282 1.000 1 A 85.511 1 ATOM 2009 O O . THR 249 249 ? A -3.787 -0.313 22.287 1.000 1 A 85.511 1 ATOM 2010 C CB . THR 249 249 ? A -1.445 1.879 23.076 1.000 1 A 85.511 1 ATOM 2011 O OG1 . THR 249 249 ? A -1.089 3.267 23.059 1.000 1 A 85.511 1 ATOM 2012 C CG2 . THR 249 249 ? A -0.943 1.222 21.794 1.000 1 A 85.511 1 ATOM 2013 N N . GLN 250 250 ? A -3.406 -0.340 24.424 1.000 1 A 84.570 1 ATOM 2014 C CA . GLN 250 250 ? A -3.621 -1.777 24.552 1.000 1 A 84.570 1 ATOM 2015 C C . GLN 250 250 ? A -5.100 -2.126 24.418 1.000 1 A 84.570 1 ATOM 2016 O O . GLN 250 250 ? A -5.447 -3.234 24.002 1.000 1 A 84.570 1 ATOM 2017 C CB . GLN 250 250 ? A -3.081 -2.284 25.890 1.000 1 A 84.570 1 ATOM 2018 C CG . GLN 250 250 ? A -1.566 -2.199 26.014 1.000 1 A 84.570 1 ATOM 2019 C CD . GLN 250 250 ? A -1.046 -2.814 27.300 1.000 1 A 84.570 1 ATOM 2020 O OE1 . GLN 250 250 ? A -1.768 -2.900 28.298 1.000 1 A 84.570 1 ATOM 2021 N NE2 . GLN 250 250 ? A 0.211 -3.245 27.285 1.000 1 A 84.570 1 ATOM 2022 N N . ASP 251 251 ? A -5.974 -1.237 24.719 1.000 1 A 85.579 1 ATOM 2023 C CA . ASP 251 251 ? A -7.411 -1.495 24.729 1.000 1 A 85.579 1 ATOM 2024 C C . ASP 251 251 ? A -8.069 -0.986 23.448 1.000 1 A 85.579 1 ATOM 2025 O O . ASP 251 251 ? A -9.295 -1.010 23.323 1.000 1 A 85.579 1 ATOM 2026 C CB . ASP 251 251 ? A -8.065 -0.846 25.950 1.000 1 A 85.579 1 ATOM 2027 C CG . ASP 251 251 ? A -7.565 -1.419 27.265 1.000 1 A 85.579 1 ATOM 2028 O OD1 . ASP 251 251 ? A -7.367 -2.650 27.358 1.000 1 A 85.579 1 ATOM 2029 O OD2 . ASP 251 251 ? A -7.369 -0.633 28.217 1.000 1 A 85.579 1 ATOM 2030 N N . THR 252 252 ? A -7.192 -0.571 22.551 1.000 1 A 92.548 1 ATOM 2031 C CA . THR 252 252 ? A -7.701 0.098 21.359 1.000 1 A 92.548 1 ATOM 2032 C C . THR 252 252 ? A -7.740 -0.863 20.174 1.000 1 A 92.548 1 ATOM 2033 O O . THR 252 252 ? A -6.774 -1.588 19.924 1.000 1 A 92.548 1 ATOM 2034 C CB . THR 252 252 ? A -6.844 1.326 20.999 1.000 1 A 92.548 1 ATOM 2035 O OG1 . THR 252 252 ? A -6.876 2.259 22.086 1.000 1 A 92.548 1 ATOM 2036 C CG2 . THR 252 252 ? A -7.367 2.012 19.740 1.000 1 A 92.548 1 ATOM 2037 N N . GLU 253 253 ? A -8.947 -0.907 19.674 1.000 1 A 92.818 1 ATOM 2038 C CA . GLU 253 253 ? A -9.064 -1.529 18.358 1.000 1 A 92.818 1 ATOM 2039 C C . GLU 253 253 ? A -8.716 -0.541 17.248 1.000 1 A 92.818 1 ATOM 2040 O O . GLU 253 253 ? A -9.288 0.549 17.178 1.000 1 A 92.818 1 ATOM 2041 C CB . GLU 253 253 ? A -10.477 -2.080 18.148 1.000 1 A 92.818 1 ATOM 2042 C CG . GLU 253 253 ? A -10.659 -2.818 16.830 1.000 1 A 92.818 1 ATOM 2043 C CD . GLU 253 253 ? A -12.089 -3.274 16.589 1.000 1 A 92.818 1 ATOM 2044 O OE1 . GLU 253 253 ? A -12.371 -3.847 15.512 1.000 1 A 92.818 1 ATOM 2045 O OE2 . GLU 253 253 ? A -12.935 -3.055 17.485 1.000 1 A 92.818 1 ATOM 2046 N N . LEU 254 254 ? A -7.790 -1.021 16.337 1.000 1 A 91.141 1 ATOM 2047 C CA . LEU 254 254 ? A -7.303 -0.133 15.287 1.000 1 A 91.141 1 ATOM 2048 C C . LEU 254 254 ? A -7.487 -0.766 13.912 1.000 1 A 91.141 1 ATOM 2049 O O . LEU 254 254 ? A -7.103 -1.918 13.698 1.000 1 A 91.141 1 ATOM 2050 C CB . LEU 254 254 ? A -5.827 0.205 15.513 1.000 1 A 91.141 1 ATOM 2051 C CG . LEU 254 254 ? A -5.188 1.159 14.503 1.000 1 A 91.141 1 ATOM 2052 C CD1 . LEU 254 254 ? A -5.697 2.580 14.720 1.000 1 A 91.141 1 ATOM 2053 C CD2 . LEU 254 254 ? A -3.667 1.109 14.607 1.000 1 A 91.141 1 ATOM 2054 N N . VAL 255 255 ? A -8.152 0.013 13.167 1.000 1 A 91.868 1 ATOM 2055 C CA . VAL 255 255 ? A -8.187 -0.373 11.760 1.000 1 A 91.868 1 ATOM 2056 C C . VAL 255 255 ? A -7.072 0.342 11.000 1.000 1 A 91.868 1 ATOM 2057 O O . VAL 255 255 ? A -6.906 1.557 11.128 1.000 1 A 91.868 1 ATOM 2058 C CB . VAL 255 255 ? A -9.557 -0.058 11.119 1.000 1 A 91.868 1 ATOM 2059 C CG1 . VAL 255 255 ? A -9.520 -0.316 9.613 1.000 1 A 91.868 1 ATOM 2060 C CG2 . VAL 255 255 ? A -10.658 -0.885 11.779 1.000 1 A 91.868 1 ATOM 2061 N N . GLU 256 256 ? A -6.248 -0.514 10.226 1.000 1 A 90.198 1 ATOM 2062 C CA . GLU 256 256 ? A -5.118 0.040 9.487 1.000 1 A 90.198 1 ATOM 2063 C C . GLU 256 256 ? A -5.580 1.077 8.467 1.000 1 A 90.198 1 ATOM 2064 O O . GLU 256 256 ? A -6.738 1.065 8.044 1.000 1 A 90.198 1 ATOM 2065 C CB . GLU 256 256 ? A -4.334 -1.074 8.788 1.000 1 A 90.198 1 ATOM 2066 C CG . GLU 256 256 ? A -3.640 -2.031 9.745 1.000 1 A 90.198 1 ATOM 2067 C CD . GLU 256 256 ? A -2.860 -3.127 9.036 1.000 1 A 90.198 1 ATOM 2068 O OE1 . GLU 256 256 ? A -2.112 -3.873 9.709 1.000 1 A 90.198 1 ATOM 2069 O OE2 . GLU 256 256 ? A -2.997 -3.241 7.797 1.000 1 A 90.198 1 ATOM 2070 N N . THR 257 257 ? A -4.711 2.003 8.145 1.000 1 A 94.580 1 ATOM 2071 C CA . THR 257 257 ? A -4.977 2.979 7.094 1.000 1 A 94.580 1 ATOM 2072 C C . THR 257 257 ? A -5.285 2.281 5.773 1.000 1 A 94.580 1 ATOM 2073 O O . THR 257 257 ? A -4.527 1.416 5.330 1.000 1 A 94.580 1 ATOM 2074 C CB . THR 257 257 ? A -3.785 3.936 6.907 1.000 1 A 94.580 1 ATOM 2075 O OG1 . THR 257 257 ? A -3.496 4.581 8.153 1.000 1 A 94.580 1 ATOM 2076 C CG2 . THR 257 257 ? A -4.094 4.999 5.858 1.000 1 A 94.580 1 ATOM 2077 N N . ARG 258 258 ? A -6.335 2.727 5.188 1.000 1 A 93.854 1 ATOM 2078 C CA . ARG 258 258 ? A -6.761 2.093 3.944 1.000 1 A 93.854 1 ATOM 2079 C C . ARG 258 258 ? A -7.197 3.135 2.920 1.000 1 A 93.854 1 ATOM 2080 O O . ARG 258 258 ? A -7.566 4.254 3.283 1.000 1 A 93.854 1 ATOM 2081 C CB . ARG 258 258 ? A -7.900 1.106 4.206 1.000 1 A 93.854 1 ATOM 2082 C CG . ARG 258 258 ? A -9.112 1.730 4.880 1.000 1 A 93.854 1 ATOM 2083 C CD . ARG 258 258 ? A -10.107 0.673 5.340 1.000 1 A 93.854 1 ATOM 2084 N NE . ARG 258 258 ? A -11.263 1.273 6.001 1.000 1 A 93.854 1 ATOM 2085 C CZ . ARG 258 258 ? A -11.805 0.828 7.131 1.000 1 A 93.854 1 ATOM 2086 N NH1 . ARG 258 258 ? A -11.304 -0.235 7.751 1.000 1 A 93.854 1 ATOM 2087 N NH2 . ARG 258 258 ? A -12.856 1.449 7.646 1.000 1 A 93.854 1 ATOM 2088 N N . PRO 259 259 ? A -7.099 2.754 1.639 1.000 1 A 95.163 1 ATOM 2089 C CA . PRO 259 259 ? A -7.535 3.677 0.588 1.000 1 A 95.163 1 ATOM 2090 C C . PRO 259 259 ? A -9.052 3.845 0.541 1.000 1 A 95.163 1 ATOM 2091 O O . PRO 259 259 ? A -9.790 2.891 0.800 1.000 1 A 95.163 1 ATOM 2092 C CB . PRO 259 259 ? A -7.019 3.019 -0.695 1.000 1 A 95.163 1 ATOM 2093 C CG . PRO 259 259 ? A -6.888 1.570 -0.355 1.000 1 A 95.163 1 ATOM 2094 C CD . PRO 259 259 ? A -6.596 1.449 1.113 1.000 1 A 95.163 1 ATOM 2095 N N . ALA 260 260 ? A -9.463 5.044 0.247 1.000 1 A 94.132 1 ATOM 2096 C CA . ALA 260 260 ? A -10.886 5.346 0.115 1.000 1 A 94.132 1 ATOM 2097 C C . ALA 260 260 ? A -11.369 5.098 -1.310 1.000 1 A 94.132 1 ATOM 2098 O O . ALA 260 260 ? A -12.575 5.082 -1.570 1.000 1 A 94.132 1 ATOM 2099 C CB . ALA 260 260 ? A -11.163 6.790 0.525 1.000 1 A 94.132 1 ATOM 2100 N N . GLY 261 261 ? A -10.456 4.889 -2.265 1.000 1 A 86.365 1 ATOM 2101 C CA . GLY 261 261 ? A -10.816 4.651 -3.653 1.000 1 A 86.365 1 ATOM 2102 C C . GLY 261 261 ? A -10.753 5.902 -4.509 1.000 1 A 86.365 1 ATOM 2103 O O . GLY 261 261 ? A -10.929 5.837 -5.727 1.000 1 A 86.365 1 ATOM 2104 N N . ASP 262 262 ? A -10.479 7.039 -3.945 1.000 1 A 89.307 1 ATOM 2105 C CA . ASP 262 262 ? A -10.442 8.291 -4.695 1.000 1 A 89.307 1 ATOM 2106 C C . ASP 262 262 ? A -9.086 8.978 -4.549 1.000 1 A 89.307 1 ATOM 2107 O O . ASP 262 262 ? A -8.965 10.181 -4.791 1.000 1 A 89.307 1 ATOM 2108 C CB . ASP 262 262 ? A -11.559 9.228 -4.230 1.000 1 A 89.307 1 ATOM 2109 C CG . ASP 262 262 ? A -11.431 9.626 -2.770 1.000 1 A 89.307 1 ATOM 2110 O OD1 . ASP 262 262 ? A -10.516 9.127 -2.080 1.000 1 A 89.307 1 ATOM 2111 O OD2 . ASP 262 262 ? A -12.254 10.444 -2.305 1.000 1 A 89.307 1 ATOM 2112 N N . GLY 263 263 ? A -8.157 8.302 -4.046 1.000 1 A 90.212 1 ATOM 2113 C CA . GLY 263 263 ? A -6.828 8.870 -3.891 1.000 1 A 90.212 1 ATOM 2114 C C . GLY 263 263 ? A -6.552 9.368 -2.485 1.000 1 A 90.212 1 ATOM 2115 O O . GLY 263 263 ? A -5.457 9.855 -2.197 1.000 1 A 90.212 1 ATOM 2116 N N . THR 264 264 ? A -7.566 9.283 -1.584 1.000 1 A 95.516 1 ATOM 2117 C CA . THR 264 264 ? A -7.414 9.639 -0.177 1.000 1 A 95.516 1 ATOM 2118 C C . THR 264 264 ? A -7.455 8.394 0.704 1.000 1 A 95.516 1 ATOM 2119 O O . THR 264 264 ? A -7.590 7.276 0.202 1.000 1 A 95.516 1 ATOM 2120 C CB . THR 264 264 ? A -8.508 10.625 0.271 1.000 1 A 95.516 1 ATOM 2121 O OG1 . THR 264 264 ? A -9.785 9.978 0.200 1.000 1 A 95.516 1 ATOM 2122 C CG2 . THR 264 264 ? A -8.529 11.864 -0.618 1.000 1 A 95.516 1 ATOM 2123 N N . PHE 265 265 ? A -7.307 8.579 1.991 1.000 1 A 96.740 1 ATOM 2124 C CA . PHE 265 265 ? A -7.225 7.456 2.918 1.000 1 A 96.740 1 ATOM 2125 C C . PHE 265 265 ? A -8.246 7.604 4.039 1.000 1 A 96.740 1 ATOM 2126 O O . PHE 265 265 ? A -8.801 8.686 4.243 1.000 1 A 96.740 1 ATOM 2127 C CB . PHE 265 265 ? A -5.814 7.344 3.504 1.000 1 A 96.740 1 ATOM 2128 C CG . PHE 265 265 ? A -4.755 7.029 2.482 1.000 1 A 96.740 1 ATOM 2129 C CD1 . PHE 265 265 ? A -4.443 5.713 2.167 1.000 1 A 96.740 1 ATOM 2130 C CD2 . PHE 265 265 ? A -4.072 8.052 1.836 1.000 1 A 96.740 1 ATOM 2131 C CE1 . PHE 265 265 ? A -3.463 5.419 1.221 1.000 1 A 96.740 1 ATOM 2132 C CE2 . PHE 265 265 ? A -3.092 7.766 0.890 1.000 1 A 96.740 1 ATOM 2133 C CZ . PHE 265 265 ? A -2.788 6.449 0.585 1.000 1 A 96.740 1 ATOM 2134 N N . GLN 266 266 ? A -8.498 6.539 4.665 1.000 1 A 96.627 1 ATOM 2135 C CA . GLN 266 266 ? A -9.346 6.547 5.852 1.000 1 A 96.627 1 ATOM 2136 C C . GLN 266 266 ? A -8.796 5.614 6.927 1.000 1 A 96.627 1 ATOM 2137 O O . GLN 266 266 ? A -8.047 4.683 6.624 1.000 1 A 96.627 1 ATOM 2138 C CB . GLN 266 266 ? A -10.778 6.147 5.493 1.000 1 A 96.627 1 ATOM 2139 C CG . GLN 266 266 ? A -10.902 4.732 4.945 1.000 1 A 96.627 1 ATOM 2140 C CD . GLN 266 266 ? A -12.328 4.370 4.574 1.000 1 A 96.627 1 ATOM 2141 O OE1 . GLN 266 266 ? A -13.276 4.715 5.286 1.000 1 A 96.627 1 ATOM 2142 N NE2 . GLN 266 266 ? A -12.490 3.670 3.456 1.000 1 A 96.627 1 ATOM 2143 N N . LYS 267 267 ? A -9.098 5.920 8.165 1.000 1 A 96.506 1 ATOM 2144 C CA . LYS 267 267 ? A -8.633 5.179 9.334 1.000 1 A 96.506 1 ATOM 2145 C C . LYS 267 267 ? A -9.564 5.390 10.525 1.000 1 A 96.506 1 ATOM 2146 O O . LYS 267 267 ? A -10.228 6.423 10.625 1.000 1 A 96.506 1 ATOM 2147 C CB . LYS 267 267 ? A -7.208 5.595 9.702 1.000 1 A 96.506 1 ATOM 2148 C CG . LYS 267 267 ? A -6.558 4.711 10.757 1.000 1 A 96.506 1 ATOM 2149 C CD . LYS 267 267 ? A -5.094 5.074 10.964 1.000 1 A 96.506 1 ATOM 2150 C CE . LYS 267 267 ? A -4.413 4.121 11.938 1.000 1 A 96.506 1 ATOM 2151 N NZ . LYS 267 267 ? A -2.933 4.320 11.964 1.000 1 A 96.506 1 ATOM 2152 N N . TRP 268 268 ? A -9.670 4.374 11.413 1.000 1 A 95.568 1 ATOM 2153 C CA . TRP 268 268 ? A -10.409 4.619 12.648 1.000 1 A 95.568 1 ATOM 2154 C C . TRP 268 268 ? A -9.843 3.789 13.795 1.000 1 A 95.568 1 ATOM 2155 O O . TRP 268 268 ? A -9.116 2.819 13.568 1.000 1 A 95.568 1 ATOM 2156 C CB . TRP 268 268 ? A -11.895 4.304 12.458 1.000 1 A 95.568 1 ATOM 2157 C CG . TRP 268 268 ? A -12.166 2.904 11.994 1.000 1 A 95.568 1 ATOM 2158 C CD1 . TRP 268 268 ? A -12.433 2.497 10.716 1.000 1 A 95.568 1 ATOM 2159 C CD2 . TRP 268 268 ? A -12.202 1.727 12.806 1.000 1 A 95.568 1 ATOM 2160 N NE1 . TRP 268 268 ? A -12.632 1.136 10.686 1.000 1 A 95.568 1 ATOM 2161 C CE2 . TRP 268 268 ? A -12.495 0.640 11.954 1.000 1 A 95.568 1 ATOM 2162 C CE3 . TRP 268 268 ? A -12.012 1.486 14.174 1.000 1 A 95.568 1 ATOM 2163 C CZ2 . TRP 268 268 ? A -12.604 -0.671 12.426 1.000 1 A 95.568 1 ATOM 2164 C CZ3 . TRP 268 268 ? A -12.121 0.181 14.642 1.000 1 A 95.568 1 ATOM 2165 C CH2 . TRP 268 268 ? A -12.415 -0.879 13.768 1.000 1 A 95.568 1 ATOM 2166 N N . ALA 269 269 ? A -10.089 4.258 14.971 1.000 1 A 96.339 1 ATOM 2167 C CA . ALA 269 269 ? A -9.712 3.596 16.218 1.000 1 A 96.339 1 ATOM 2168 C C . ALA 269 269 ? A -10.871 3.595 17.210 1.000 1 A 96.339 1 ATOM 2169 O O . ALA 269 269 ? A -11.598 4.585 17.327 1.000 1 A 96.339 1 ATOM 2170 C CB . ALA 269 269 ? A -8.490 4.275 16.832 1.000 1 A 96.339 1 ATOM 2171 N N . ALA 270 270 ? A -11.037 2.396 17.868 1.000 1 A 95.679 1 ATOM 2172 C CA . ALA 270 270 ? A -12.171 2.262 18.779 1.000 1 A 95.679 1 ATOM 2173 C C . ALA 270 270 ? A -11.717 1.774 20.152 1.000 1 A 95.679 1 ATOM 2174 O O . ALA 270 270 ? A -10.714 1.065 20.266 1.000 1 A 95.679 1 ATOM 2175 C CB . ALA 270 270 ? A -13.212 1.308 18.197 1.000 1 A 95.679 1 ATOM 2176 N N . VAL 271 271 ? A -12.494 2.196 21.243 1.000 1 A 95.657 1 ATOM 2177 C CA . VAL 271 271 ? A -12.234 1.771 22.615 1.000 1 A 95.657 1 ATOM 2178 C C . VAL 271 271 ? A -13.554 1.471 23.322 1.000 1 A 95.657 1 ATOM 2179 O O . VAL 271 271 ? A -14.544 2.180 23.129 1.000 1 A 95.657 1 ATOM 2180 C CB . VAL 271 271 ? A -11.441 2.841 23.399 1.000 1 A 95.657 1 ATOM 2181 C CG1 . VAL 271 271 ? A -12.275 4.108 23.579 1.000 1 A 95.657 1 ATOM 2182 C CG2 . VAL 271 271 ? A -11.000 2.290 24.754 1.000 1 A 95.657 1 ATOM 2183 N N . VAL 272 272 ? A -13.579 0.368 23.990 1.000 1 A 95.766 1 ATOM 2184 C CA . VAL 272 272 ? A -14.716 0.051 24.848 1.000 1 A 95.766 1 ATOM 2185 C C . VAL 272 272 ? A -14.589 0.800 26.172 1.000 1 A 95.766 1 ATOM 2186 O O . VAL 272 272 ? A -13.557 0.718 26.843 1.000 1 A 95.766 1 ATOM 2187 C CB . VAL 272 272 ? A -14.827 -1.469 25.105 1.000 1 A 95.766 1 ATOM 2188 C CG1 . VAL 272 272 ? A -15.982 -1.773 26.057 1.000 1 A 95.766 1 ATOM 2189 C CG2 . VAL 272 272 ? A -15.005 -2.221 23.787 1.000 1 A 95.766 1 ATOM 2190 N N . VAL 273 273 ? A -15.666 1.538 26.504 1.000 1 A 94.904 1 ATOM 2191 C CA . VAL 273 273 ? A -15.601 2.397 27.682 1.000 1 A 94.904 1 ATOM 2192 C C . VAL 273 273 ? A -16.800 2.125 28.588 1.000 1 A 94.904 1 ATOM 2193 O O . VAL 273 273 ? A -17.855 1.692 28.118 1.000 1 A 94.904 1 ATOM 2194 C CB . VAL 273 273 ? A -15.556 3.891 27.292 1.000 1 A 94.904 1 ATOM 2195 C CG1 . VAL 273 273 ? A -14.393 4.167 26.341 1.000 1 A 94.904 1 ATOM 2196 C CG2 . VAL 273 273 ? A -16.879 4.318 26.661 1.000 1 A 94.904 1 ATOM 2197 N N . PRO 274 274 ? A -16.636 2.378 29.944 1.000 1 A 94.771 1 ATOM 2198 C CA . PRO 274 274 ? A -17.792 2.298 30.839 1.000 1 A 94.771 1 ATOM 2199 C C . PRO 274 274 ? A -18.837 3.374 30.551 1.000 1 A 94.771 1 ATOM 2200 O O . PRO 274 274 ? A -18.488 4.537 30.334 1.000 1 A 94.771 1 ATOM 2201 C CB . PRO 274 274 ? A -17.176 2.493 32.227 1.000 1 A 94.771 1 ATOM 2202 C CG . PRO 274 274 ? A -15.718 2.227 32.039 1.000 1 A 94.771 1 ATOM 2203 C CD . PRO 274 274 ? A -15.338 2.617 30.640 1.000 1 A 94.771 1 ATOM 2204 N N . SER 275 275 ? A -20.064 2.862 30.518 1.000 1 A 91.435 1 ATOM 2205 C CA . SER 275 275 ? A -21.145 3.816 30.294 1.000 1 A 91.435 1 ATOM 2206 C C . SER 275 275 ? A -21.165 4.892 31.375 1.000 1 A 91.435 1 ATOM 2207 O O . SER 275 275 ? A -20.979 4.595 32.557 1.000 1 A 91.435 1 ATOM 2208 C CB . SER 275 275 ? A -22.494 3.098 30.253 1.000 1 A 91.435 1 ATOM 2209 O OG . SER 275 275 ? A -22.581 2.256 29.117 1.000 1 A 91.435 1 ATOM 2210 N N . GLY 276 276 ? A -21.195 6.179 31.023 1.000 1 A 89.325 1 ATOM 2211 C CA . GLY 276 276 ? A -21.193 7.296 31.955 1.000 1 A 89.325 1 ATOM 2212 C C . GLY 276 276 ? A -19.827 7.936 32.115 1.000 1 A 89.325 1 ATOM 2213 O O . GLY 276 276 ? A -19.705 9.013 32.703 1.000 1 A 89.325 1 ATOM 2214 N N . GLU 277 277 ? A -18.842 7.229 31.702 1.000 1 A 92.476 1 ATOM 2215 C CA . GLU 277 277 ? A -17.485 7.752 31.827 1.000 1 A 92.476 1 ATOM 2216 C C . GLU 277 277 ? A -16.908 8.124 30.464 1.000 1 A 92.476 1 ATOM 2217 O O . GLU 277 277 ? A -15.690 8.228 30.307 1.000 1 A 92.476 1 ATOM 2218 C CB . GLU 277 277 ? A -16.578 6.733 32.522 1.000 1 A 92.476 1 ATOM 2219 C CG . GLU 277 277 ? A -16.988 6.419 33.954 1.000 1 A 92.476 1 ATOM 2220 C CD . GLU 277 277 ? A -16.031 5.470 34.658 1.000 1 A 92.476 1 ATOM 2221 O OE1 . GLU 277 277 ? A -16.414 4.880 35.693 1.000 1 A 92.476 1 ATOM 2222 O OE2 . GLU 277 277 ? A -14.889 5.317 34.170 1.000 1 A 92.476 1 ATOM 2223 N N . GLU 278 278 ? A -17.719 8.223 29.469 1.000 1 A 92.226 1 ATOM 2224 C CA . GLU 278 278 ? A -17.280 8.454 28.096 1.000 1 A 92.226 1 ATOM 2225 C C . GLU 278 278 ? A -16.547 9.786 27.968 1.000 1 A 92.226 1 ATOM 2226 O O . GLU 278 278 ? A -15.626 9.919 27.159 1.000 1 A 92.226 1 ATOM 2227 C CB . GLU 278 278 ? A -18.473 8.416 27.136 1.000 1 A 92.226 1 ATOM 2228 C CG . GLU 278 278 ? A -19.174 7.067 27.081 1.000 1 A 92.226 1 ATOM 2229 C CD . GLU 278 278 ? A -20.275 6.919 28.119 1.000 1 A 92.226 1 ATOM 2230 O OE1 . GLU 278 278 ? A -21.128 6.014 27.975 1.000 1 A 92.226 1 ATOM 2231 O OE2 . GLU 278 278 ? A -20.285 7.716 29.084 1.000 1 A 92.226 1 ATOM 2232 N N . GLN 279 279 ? A -16.855 10.716 28.765 1.000 1 A 91.321 1 ATOM 2233 C CA . GLN 279 279 ? A -16.317 12.070 28.687 1.000 1 A 91.321 1 ATOM 2234 C C . GLN 279 279 ? A -14.856 12.108 29.126 1.000 1 A 91.321 1 ATOM 2235 O O . GLN 279 279 ? A -14.157 13.096 28.892 1.000 1 A 91.321 1 ATOM 2236 C CB . GLN 279 279 ? A -17.146 13.028 29.544 1.000 1 A 91.321 1 ATOM 2237 C CG . GLN 279 279 ? A -18.588 13.179 29.078 1.000 1 A 91.321 1 ATOM 2238 C CD . GLN 279 279 ? A -18.694 13.688 27.652 1.000 1 A 91.321 1 ATOM 2239 O OE1 . GLN 279 279 ? A -17.920 14.552 27.229 1.000 1 A 91.321 1 ATOM 2240 N NE2 . GLN 279 279 ? A -19.654 13.157 26.903 1.000 1 A 91.321 1 ATOM 2241 N N . ARG 280 280 ? A -14.431 11.064 29.743 1.000 1 A 93.998 1 ATOM 2242 C CA . ARG 280 280 ? A -13.057 10.977 30.228 1.000 1 A 93.998 1 ATOM 2243 C C . ARG 280 280 ? A -12.108 10.553 29.113 1.000 1 A 93.998 1 ATOM 2244 O O . ARG 280 280 ? A -10.887 10.604 29.277 1.000 1 A 93.998 1 ATOM 2245 C CB . ARG 280 280 ? A -12.961 9.997 31.399 1.000 1 A 93.998 1 ATOM 2246 C CG . ARG 280 280 ? A -13.707 10.450 32.645 1.000 1 A 93.998 1 ATOM 2247 C CD . ARG 280 280 ? A -13.717 9.372 33.719 1.000 1 A 93.998 1 ATOM 2248 N NE . ARG 280 280 ? A -12.368 9.064 34.186 1.000 1 A 93.998 1 ATOM 2249 C CZ . ARG 280 280 ? A -12.063 8.076 35.022 1.000 1 A 93.998 1 ATOM 2250 N NH1 . ARG 280 280 ? A -13.009 7.277 35.503 1.000 1 A 93.998 1 ATOM 2251 N NH2 . ARG 280 280 ? A -10.802 7.884 35.381 1.000 1 A 93.998 1 ATOM 2252 N N . TYR 281 281 ? A -12.681 10.077 28.031 1.000 1 A 95.190 1 ATOM 2253 C CA . TYR 281 281 ? A -11.883 9.579 26.917 1.000 1 A 95.190 1 ATOM 2254 C C . TYR 281 281 ? A -11.806 10.610 25.797 1.000 1 A 95.190 1 ATOM 2255 O O . TYR 281 281 ? A -12.806 11.251 25.466 1.000 1 A 95.190 1 ATOM 2256 C CB . TYR 281 281 ? A -12.466 8.268 26.381 1.000 1 A 95.190 1 ATOM 2257 C CG . TYR 281 281 ? A -12.348 7.112 27.344 1.000 1 A 95.190 1 ATOM 2258 C CD1 . TYR 281 281 ? A -11.359 6.145 27.185 1.000 1 A 95.190 1 ATOM 2259 C CD2 . TYR 281 281 ? A -13.226 6.985 28.415 1.000 1 A 95.190 1 ATOM 2260 C CE1 . TYR 281 281 ? A -11.248 5.077 28.069 1.000 1 A 95.190 1 ATOM 2261 C CE2 . TYR 281 281 ? A -13.125 5.921 29.306 1.000 1 A 95.190 1 ATOM 2262 C CZ . TYR 281 281 ? A -12.133 4.974 29.125 1.000 1 A 95.190 1 ATOM 2263 O OH . TYR 281 281 ? A -12.028 3.919 30.003 1.000 1 A 95.190 1 ATOM 2264 N N . THR 282 282 ? A -10.646 10.796 25.277 1.000 1 A 96.420 1 ATOM 2265 C CA . THR 282 282 ? A -10.424 11.692 24.148 1.000 1 A 96.420 1 ATOM 2266 C C . THR 282 282 ? A -9.621 10.994 23.054 1.000 1 A 96.420 1 ATOM 2267 O O . THR 282 282 ? A -8.822 10.099 23.338 1.000 1 A 96.420 1 ATOM 2268 C CB . THR 282 282 ? A -9.691 12.973 24.588 1.000 1 A 96.420 1 ATOM 2269 O OG1 . THR 282 282 ? A -8.447 12.618 25.204 1.000 1 A 96.420 1 ATOM 2270 C CG2 . THR 282 282 ? A -10.528 13.771 25.582 1.000 1 A 96.420 1 ATOM 2271 N N . CYS 283 283 ? A -9.884 11.352 21.857 1.000 1 A 96.928 1 ATOM 2272 C CA . CYS 283 283 ? A -9.138 10.860 20.705 1.000 1 A 96.928 1 ATOM 2273 C C . CYS 283 283 ? A -8.222 11.943 20.146 1.000 1 A 96.928 1 ATOM 2274 O O . CYS 283 283 ? A -8.686 13.021 19.769 1.000 1 A 96.928 1 ATOM 2275 C CB . CYS 283 283 ? A -10.093 10.375 19.615 1.000 1 A 96.928 1 ATOM 2276 S SG . CYS 283 283 ? A -9.258 9.751 18.140 1.000 1 A 96.928 1 ATOM 2277 N N . HIS 284 284 ? A -6.949 11.652 20.083 1.000 1 A 96.782 1 ATOM 2278 C CA . HIS 284 284 ? A -5.946 12.568 19.554 1.000 1 A 96.782 1 ATOM 2279 C C . HIS 284 284 ? A -5.566 12.203 18.123 1.000 1 A 96.782 1 ATOM 2280 O O . HIS 284 284 ? A -5.146 11.074 17.856 1.000 1 A 96.782 1 ATOM 2281 C CB . HIS 284 284 ? A -4.701 12.572 20.442 1.000 1 A 96.782 1 ATOM 2282 C CG . HIS 284 284 ? A -4.926 13.186 21.788 1.000 1 A 96.782 1 ATOM 2283 N ND1 . HIS 284 284 ? A -4.363 14.387 22.161 1.000 1 A 96.782 1 ATOM 2284 C CD2 . HIS 284 284 ? A -5.656 12.764 22.847 1.000 1 A 96.782 1 ATOM 2285 C CE1 . HIS 284 284 ? A -4.737 14.678 23.395 1.000 1 A 96.782 1 ATOM 2286 N NE2 . HIS 284 284 ? A -5.523 13.709 23.834 1.000 1 A 96.782 1 ATOM 2287 N N . VAL 285 285 ? A -5.735 13.196 17.304 1.000 1 A 97.376 1 ATOM 2288 C CA . VAL 285 285 ? A -5.478 12.992 15.882 1.000 1 A 97.376 1 ATOM 2289 C C . VAL 285 285 ? A -4.309 13.868 15.438 1.000 1 A 97.376 1 ATOM 2290 O O . VAL 285 285 ? A -4.335 15.088 15.619 1.000 1 A 97.376 1 ATOM 2291 C CB . VAL 285 285 ? A -6.730 13.300 15.030 1.000 1 A 97.376 1 ATOM 2292 C CG1 . VAL 285 285 ? A -6.471 12.983 13.558 1.000 1 A 97.376 1 ATOM 2293 C CG2 . VAL 285 285 ? A -7.933 12.513 15.546 1.000 1 A 97.376 1 ATOM 2294 N N . GLN 286 286 ? A -3.373 13.177 14.848 1.000 1 A 96.464 1 ATOM 2295 C CA . GLN 286 286 ? A -2.217 13.869 14.288 1.000 1 A 96.464 1 ATOM 2296 C C . GLN 286 286 ? A -2.052 13.553 12.804 1.000 1 A 96.464 1 ATOM 2297 O O . GLN 286 286 ? A -2.041 12.384 12.410 1.000 1 A 96.464 1 ATOM 2298 C CB . GLN 286 286 ? A -0.945 13.494 15.049 1.000 1 A 96.464 1 ATOM 2299 C CG . GLN 286 286 ? A -0.938 13.953 16.500 1.000 1 A 96.464 1 ATOM 2300 C CD . GLN 286 286 ? A 0.336 13.572 17.231 1.000 1 A 96.464 1 ATOM 2301 O OE1 . GLN 286 286 ? A 1.176 12.840 16.700 1.000 1 A 96.464 1 ATOM 2302 N NE2 . GLN 286 286 ? A 0.487 14.065 18.456 1.000 1 A 96.464 1 ATOM 2303 N N . HIS 287 287 ? A -1.971 14.644 12.066 1.000 1 A 95.543 1 ATOM 2304 C CA . HIS 287 287 ? A -1.811 14.522 10.621 1.000 1 A 95.543 1 ATOM 2305 C C . HIS 287 287 ? A -1.186 15.781 10.028 1.000 1 A 95.543 1 ATOM 2306 O O . HIS 287 287 ? A -1.469 16.892 10.482 1.000 1 A 95.543 1 ATOM 2307 C CB . HIS 287 287 ? A -3.158 14.241 9.954 1.000 1 A 95.543 1 ATOM 2308 C CG . HIS 287 287 ? A -3.060 14.004 8.480 1.000 1 A 95.543 1 ATOM 2309 N ND1 . HIS 287 287 ? A -3.374 14.970 7.549 1.000 1 A 95.543 1 ATOM 2310 C CD2 . HIS 287 287 ? A -2.680 12.910 7.779 1.000 1 A 95.543 1 ATOM 2311 C CE1 . HIS 287 287 ? A -3.191 14.478 6.335 1.000 1 A 95.543 1 ATOM 2312 N NE2 . HIS 287 287 ? A -2.770 13.230 6.447 1.000 1 A 95.543 1 ATOM 2313 N N . GLU 288 288 ? A -0.380 15.634 9.063 1.000 1 A 91.995 1 ATOM 2314 C CA . GLU 288 288 ? A 0.360 16.751 8.484 1.000 1 A 91.995 1 ATOM 2315 C C . GLU 288 288 ? A -0.583 17.768 7.848 1.000 1 A 91.995 1 ATOM 2316 O O . GLU 288 288 ? A -0.218 18.931 7.664 1.000 1 A 91.995 1 ATOM 2317 C CB . GLU 288 288 ? A 1.368 16.247 7.447 1.000 1 A 91.995 1 ATOM 2318 C CG . GLU 288 288 ? A 2.224 17.348 6.837 1.000 1 A 91.995 1 ATOM 2319 C CD . GLU 288 288 ? A 3.258 16.827 5.851 1.000 1 A 91.995 1 ATOM 2320 O OE1 . GLU 288 288 ? A 3.966 17.647 5.225 1.000 1 A 91.995 1 ATOM 2321 O OE2 . GLU 288 288 ? A 3.360 15.589 5.704 1.000 1 A 91.995 1 ATOM 2322 N N . GLY 289 289 ? A -1.751 17.271 7.446 1.000 1 A 93.370 1 ATOM 2323 C CA . GLY 289 289 ? A -2.738 18.161 6.858 1.000 1 A 93.370 1 ATOM 2324 C C . GLY 289 289 ? A -3.423 19.050 7.879 1.000 1 A 93.370 1 ATOM 2325 O O . GLY 289 289 ? A -4.064 20.039 7.518 1.000 1 A 93.370 1 ATOM 2326 N N . LEU 290 290 ? A -3.237 18.749 9.181 1.000 1 A 95.934 1 ATOM 2327 C CA . LEU 290 290 ? A -3.810 19.544 10.262 1.000 1 A 95.934 1 ATOM 2328 C C . LEU 290 290 ? A -2.837 20.628 10.714 1.000 1 A 95.934 1 ATOM 2329 O O . LEU 290 290 ? A -1.642 20.367 10.876 1.000 1 A 95.934 1 ATOM 2330 C CB . LEU 290 290 ? A -4.181 18.649 11.447 1.000 1 A 95.934 1 ATOM 2331 C CG . LEU 290 290 ? A -5.325 17.660 11.218 1.000 1 A 95.934 1 ATOM 2332 C CD1 . LEU 290 290 ? A -5.341 16.603 12.317 1.000 1 A 95.934 1 ATOM 2333 C CD2 . LEU 290 290 ? A -6.661 18.393 11.154 1.000 1 A 95.934 1 ATOM 2334 N N . PRO 291 291 ? A -3.328 21.873 10.904 1.000 1 A 93.520 1 ATOM 2335 C CA . PRO 291 291 ? A -2.440 22.926 11.402 1.000 1 A 93.520 1 ATOM 2336 C C . PRO 291 291 ? A -1.877 22.618 12.787 1.000 1 A 93.520 1 ATOM 2337 O O . PRO 291 291 ? A -0.744 22.995 13.095 1.000 1 A 93.520 1 ATOM 2338 C CB . PRO 291 291 ? A -3.344 24.160 11.442 1.000 1 A 93.520 1 ATOM 2339 C CG . PRO 291 291 ? A -4.735 23.614 11.455 1.000 1 A 93.520 1 ATOM 2340 C CD . PRO 291 291 ? A -4.740 22.304 10.722 1.000 1 A 93.520 1 ATOM 2341 N N . LYS 292 292 ? A -2.721 22.009 13.634 1.000 1 A 94.632 1 ATOM 2342 C CA . LYS 292 292 ? A -2.355 21.506 14.955 1.000 1 A 94.632 1 ATOM 2343 C C . LYS 292 292 ? A -3.046 20.177 15.248 1.000 1 A 94.632 1 ATOM 2344 O O . LYS 292 292 ? A -4.069 19.856 14.641 1.000 1 A 94.632 1 ATOM 2345 C CB . LYS 292 292 ? A -2.708 22.530 16.035 1.000 1 A 94.632 1 ATOM 2346 C CG . LYS 292 292 ? A -4.182 22.907 16.073 1.000 1 A 94.632 1 ATOM 2347 C CD . LYS 292 292 ? A -4.456 23.989 17.110 1.000 1 A 94.632 1 ATOM 2348 C CE . LYS 292 292 ? A -5.933 24.356 17.160 1.000 1 A 94.632 1 ATOM 2349 N NZ . LYS 292 292 ? A -6.207 25.409 18.182 1.000 1 A 94.632 1 ATOM 2350 N N . PRO 293 293 ? A -2.423 19.477 16.045 1.000 1 A 95.989 1 ATOM 2351 C CA . PRO 293 293 ? A -3.104 18.238 16.429 1.000 1 A 95.989 1 ATOM 2352 C C . PRO 293 293 ? A -4.514 18.481 16.963 1.000 1 A 95.989 1 ATOM 2353 O O . PRO 293 293 ? A -4.779 19.524 17.565 1.000 1 A 95.989 1 ATOM 2354 C CB . PRO 293 293 ? A -2.198 17.662 17.520 1.000 1 A 95.989 1 ATOM 2355 C CG . PRO 293 293 ? A -0.849 18.241 17.242 1.000 1 A 95.989 1 ATOM 2356 C CD . PRO 293 293 ? A -1.028 19.622 16.681 1.000 1 A 95.989 1 ATOM 2357 N N . LEU 294 294 ? A -5.455 17.541 16.660 1.000 1 A 96.009 1 ATOM 2358 C CA . LEU 294 294 ? A -6.850 17.628 17.078 1.000 1 A 96.009 1 ATOM 2359 C C . LEU 294 294 ? A -7.130 16.680 18.239 1.000 1 A 96.009 1 ATOM 2360 O O . LEU 294 294 ? A -6.554 15.592 18.310 1.000 1 A 96.009 1 ATOM 2361 C CB . LEU 294 294 ? A -7.782 17.307 15.906 1.000 1 A 96.009 1 ATOM 2362 C CG . LEU 294 294 ? A -7.789 18.310 14.751 1.000 1 A 96.009 1 ATOM 2363 C CD1 . LEU 294 294 ? A -8.648 17.790 13.603 1.000 1 A 96.009 1 ATOM 2364 C CD2 . LEU 294 294 ? A -8.290 19.670 15.227 1.000 1 A 96.009 1 ATOM 2365 N N . THR 295 295 ? A -7.877 17.188 19.180 1.000 1 A 96.473 1 ATOM 2366 C CA . THR 295 295 ? A -8.401 16.361 20.261 1.000 1 A 96.473 1 ATOM 2367 C C . THR 295 295 ? A -9.926 16.320 20.219 1.000 1 A 96.473 1 ATOM 2368 O O . THR 295 295 ? A -10.584 17.358 20.322 1.000 1 A 96.473 1 ATOM 2369 C CB . THR 295 295 ? A -7.937 16.878 21.635 1.000 1 A 96.473 1 ATOM 2370 O OG1 . THR 295 295 ? A -6.504 16.879 21.679 1.000 1 A 96.473 1 ATOM 2371 C CG2 . THR 295 295 ? A -8.468 15.998 22.762 1.000 1 A 96.473 1 ATOM 2372 N N . LEU 296 296 ? A -10.417 15.059 19.969 1.000 1 A 95.074 1 ATOM 2373 C CA . LEU 296 296 ? A -11.862 14.882 19.881 1.000 1 A 95.074 1 ATOM 2374 C C . LEU 296 296 ? A -12.423 14.335 21.189 1.000 1 A 95.074 1 ATOM 2375 O O . LEU 296 296 ? A -11.827 13.446 21.801 1.000 1 A 95.074 1 ATOM 2376 C CB . LEU 296 296 ? A -12.219 13.943 18.726 1.000 1 A 95.074 1 ATOM 2377 C CG . LEU 296 296 ? A -11.714 14.350 17.341 1.000 1 A 95.074 1 ATOM 2378 C CD1 . LEU 296 296 ? A -12.042 13.266 16.318 1.000 1 A 95.074 1 ATOM 2379 C CD2 . LEU 296 296 ? A -12.317 15.686 16.923 1.000 1 A 95.074 1 ATOM 2380 N N . ARG 297 297 ? A -13.468 14.938 21.619 1.000 1 A 91.687 1 ATOM 2381 C CA . ARG 297 297 ? A -14.199 14.472 22.794 1.000 1 A 91.687 1 ATOM 2382 C C . ARG 297 297 ? A -15.650 14.157 22.446 1.000 1 A 91.687 1 ATOM 2383 O O . ARG 297 297 ? A -16.267 14.858 21.641 1.000 1 A 91.687 1 ATOM 2384 C CB . ARG 297 297 ? A -14.141 15.515 23.912 1.000 1 A 91.687 1 ATOM 2385 C CG . ARG 297 297 ? A -14.636 15.004 25.256 1.000 1 A 91.687 1 ATOM 2386 C CD . ARG 297 297 ? A -14.410 16.023 26.364 1.000 1 A 91.687 1 ATOM 2387 N NE . ARG 297 297 ? A -15.122 15.659 27.585 1.000 1 A 91.687 1 ATOM 2388 C CZ . ARG 297 297 ? A -14.639 15.804 28.816 1.000 1 A 91.687 1 ATOM 2389 N NH1 . ARG 297 297 ? A -13.428 16.312 29.014 1.000 1 A 91.687 1 ATOM 2390 N NH2 . ARG 297 297 ? A -15.373 15.440 29.858 1.000 1 A 91.687 1 ATOM 2391 N N . TRP 298 298 ? A -16.062 13.028 23.038 1.000 1 A 86.336 1 ATOM 2392 C CA . TRP 298 298 ? A -17.461 12.677 22.817 1.000 1 A 86.336 1 ATOM 2393 C C . TRP 298 298 ? A -18.386 13.627 23.570 1.000 1 A 86.336 1 ATOM 2394 O O . TRP 298 298 ? A -18.206 13.860 24.767 1.000 1 A 86.336 1 ATOM 2395 C CB . TRP 298 298 ? A -17.729 11.233 23.250 1.000 1 A 86.336 1 ATOM 2396 C CG . TRP 298 298 ? A -19.150 10.794 23.061 1.000 1 A 86.336 1 ATOM 2397 C CD1 . TRP 298 298 ? A -19.742 10.399 21.894 1.000 1 A 86.336 1 ATOM 2398 C CD2 . TRP 298 298 ? A -20.160 10.711 24.071 1.000 1 A 86.336 1 ATOM 2399 N NE1 . TRP 298 298 ? A -21.060 10.074 22.118 1.000 1 A 86.336 1 ATOM 2400 C CE2 . TRP 298 298 ? A -21.342 10.257 23.445 1.000 1 A 86.336 1 ATOM 2401 C CE3 . TRP 298 298 ? A -20.180 10.977 25.447 1.000 1 A 86.336 1 ATOM 2402 C CZ2 . TRP 298 298 ? A -22.532 10.062 24.149 1.000 1 A 86.336 1 ATOM 2403 C CZ3 . TRP 298 298 ? A -21.366 10.782 26.146 1.000 1 A 86.336 1 ATOM 2404 C CH2 . TRP 298 298 ? A -22.525 10.329 25.494 1.000 1 A 86.336 1 ATOM 2405 N N . GLU 299 299 ? A -19.302 14.261 22.822 1.000 1 A 80.402 1 ATOM 2406 C CA . GLU 299 299 ? A -20.304 15.138 23.422 1.000 1 A 80.402 1 ATOM 2407 C C . GLU 299 299 ? A -21.702 14.537 23.310 1.000 1 A 80.402 1 ATOM 2408 O O . GLU 299 299 ? A -22.088 14.044 22.248 1.000 1 A 80.402 1 ATOM 2409 C CB . GLU 299 299 ? A -20.272 16.520 22.765 1.000 1 A 80.402 1 ATOM 2410 C CG . GLU 299 299 ? A -20.982 17.600 23.569 1.000 1 A 80.402 1 ATOM 2411 C CD . GLU 299 299 ? A -20.082 18.773 23.923 1.000 1 A 80.402 1 ATOM 2412 O OE1 . GLU 299 299 ? A -20.461 19.587 24.797 1.000 1 A 80.402 1 ATOM 2413 O OE2 . GLU 299 299 ? A -18.990 18.881 23.322 1.000 1 A 80.402 1 ATOM 2414 N N . LEU 300 300 ? A -22.374 14.240 24.384 1.000 1 A 70.087 1 ATOM 2415 C CA . LEU 300 300 ? A -23.751 13.758 24.370 1.000 1 A 70.087 1 ATOM 2416 C C . LEU 300 300 ? A -24.645 14.690 23.560 1.000 1 A 70.087 1 ATOM 2417 O O . LEU 300 300 ? A -24.643 15.904 23.778 1.000 1 A 70.087 1 ATOM 2418 C CB . LEU 300 300 ? A -24.288 13.631 25.798 1.000 1 A 70.087 1 ATOM 2419 C CG . LEU 300 300 ? A -25.259 12.478 26.057 1.000 1 A 70.087 1 ATOM 2420 C CD1 . LEU 300 300 ? A -24.496 11.166 26.208 1.000 1 A 70.087 1 ATOM 2421 C CD2 . LEU 300 300 ? A -26.103 12.757 27.296 1.000 1 A 70.087 1 ATOM 2422 N N . SER 301 301 ? A -24.762 14.520 22.174 1.000 1 A 58.869 1 ATOM 2423 C CA . SER 301 301 ? A -25.741 15.279 21.403 1.000 1 A 58.869 1 ATOM 2424 C C . SER 301 301 ? A -27.004 15.539 22.217 1.000 1 A 58.869 1 ATOM 2425 O O . SER 301 301 ? A -27.557 14.620 22.825 1.000 1 A 58.869 1 ATOM 2426 C CB . SER 301 301 ? A -26.100 14.539 20.114 1.000 1 A 58.869 1 ATOM 2427 O OG . SER 301 301 ? A -26.947 15.330 19.299 1.000 1 A 58.869 1 ATOM 2428 N N . SER 302 302 ? A -27.051 16.432 23.179 1.000 1 A 46.654 1 ATOM 2429 C CA . SER 302 302 ? A -28.236 16.983 23.828 1.000 1 A 46.654 1 ATOM 2430 C C . SER 302 302 ? A -29.465 16.859 22.932 1.000 1 A 46.654 1 ATOM 2431 O O . SER 302 302 ? A -29.444 17.291 21.778 1.000 1 A 46.654 1 ATOM 2432 C CB . SER 302 302 ? A -28.012 18.450 24.198 1.000 1 A 46.654 1 ATOM 2433 O OG . SER 302 302 ? A -26.637 18.783 24.121 1.000 1 A 46.654 1 ATOM 2434 N N . GLN 303 303 ? A -29.857 15.713 22.347 1.000 1 A 47.486 1 ATOM 2435 C CA . GLN 303 303 ? A -31.264 15.746 21.962 1.000 1 A 47.486 1 ATOM 2436 C C . GLN 303 303 ? A -31.917 17.061 22.377 1.000 1 A 47.486 1 ATOM 2437 O O . GLN 303 303 ? A -31.645 17.580 23.461 1.000 1 A 47.486 1 ATOM 2438 C CB . GLN 303 303 ? A -32.017 14.567 22.579 1.000 1 A 47.486 1 ATOM 2439 C CG . GLN 303 303 ? A -32.077 13.337 21.683 1.000 1 A 47.486 1 ATOM 2440 C CD . GLN 303 303 ? A -33.084 12.309 22.163 1.000 1 A 47.486 1 ATOM 2441 O OE1 . GLN 303 303 ? A -33.611 12.409 23.276 1.000 1 A 47.486 1 ATOM 2442 N NE2 . GLN 303 303 ? A -33.358 11.312 21.329 1.000 1 A 47.486 1 ATOM 2443 N N . PRO 304 304 ? A -32.202 18.055 21.381 1.000 1 A 46.359 1 ATOM 2444 C CA . PRO 304 304 ? A -32.975 19.200 21.868 1.000 1 A 46.359 1 ATOM 2445 C C . PRO 304 304 ? A -33.865 18.849 23.058 1.000 1 A 46.359 1 ATOM 2446 O O . PRO 304 304 ? A -34.501 17.792 23.068 1.000 1 A 46.359 1 ATOM 2447 C CB . PRO 304 304 ? A -33.820 19.597 20.654 1.000 1 A 46.359 1 ATOM 2448 C CG . PRO 304 304 ? A -33.662 18.464 19.692 1.000 1 A 46.359 1 ATOM 2449 C CD . PRO 304 304 ? A -32.718 17.460 20.289 1.000 1 A 46.359 1 ATOM 2450 N N . THR 305 305 ? A -33.359 18.655 24.243 1.000 1 A 46.127 1 ATOM 2451 C CA . THR 305 305 ? A -34.323 18.702 25.336 1.000 1 A 46.127 1 ATOM 2452 C C . THR 305 305 ? A -35.585 19.448 24.912 1.000 1 A 46.127 1 ATOM 2453 O O . THR 305 305 ? A -35.506 20.546 24.357 1.000 1 A 46.127 1 ATOM 2454 C CB . THR 305 305 ? A -33.721 19.374 26.584 1.000 1 A 46.127 1 ATOM 2455 O OG1 . THR 305 305 ? A -32.517 20.058 26.217 1.000 1 A 46.127 1 ATOM 2456 C CG2 . THR 305 305 ? A -33.399 18.344 27.661 1.000 1 A 46.127 1 ATOM 2457 N N . ILE 306 306 ? A -36.250 19.088 23.811 1.000 1 A 53.790 1 ATOM 2458 C CA . ILE 306 306 ? A -37.564 19.686 24.024 1.000 1 A 53.790 1 ATOM 2459 C C . ILE 306 306 ? A -37.696 20.136 25.477 1.000 1 A 53.790 1 ATOM 2460 O O . ILE 306 306 ? A -37.466 19.351 26.400 1.000 1 A 53.790 1 ATOM 2461 C CB . ILE 306 306 ? A -38.699 18.701 23.663 1.000 1 A 53.790 1 ATOM 2462 C CG1 . ILE 306 306 ? A -38.540 18.209 22.220 1.000 1 A 53.790 1 ATOM 2463 C CG2 . ILE 306 306 ? A -40.068 19.355 23.871 1.000 1 A 53.790 1 ATOM 2464 C CD1 . ILE 306 306 ? A -39.518 17.110 21.829 1.000 1 A 53.790 1 ATOM 2465 N N . PRO 307 307 ? A -37.364 21.390 25.857 1.000 1 A 49.363 1 ATOM 2466 C CA . PRO 307 307 ? A -37.529 21.768 27.263 1.000 1 A 49.363 1 ATOM 2467 C C . PRO 307 307 ? A -38.763 21.136 27.903 1.000 1 A 49.363 1 ATOM 2468 O O . PRO 307 307 ? A -39.886 21.366 27.447 1.000 1 A 49.363 1 ATOM 2469 C CB . PRO 307 307 ? A -37.665 23.292 27.204 1.000 1 A 49.363 1 ATOM 2470 C CG . PRO 307 307 ? A -38.139 23.580 25.816 1.000 1 A 49.363 1 ATOM 2471 C CD . PRO 307 307 ? A -38.250 22.281 25.070 1.000 1 A 49.363 1 ATOM 2472 N N . ILE 308 308 ? A -38.942 19.829 27.980 1.000 1 A 57.827 1 ATOM 2473 C CA . ILE 308 308 ? A -40.005 19.318 28.839 1.000 1 A 57.827 1 ATOM 2474 C C . ILE 308 308 ? A -40.416 20.392 29.844 1.000 1 A 57.827 1 ATOM 2475 O O . ILE 308 308 ? A -41.604 20.565 30.126 1.000 1 A 57.827 1 ATOM 2476 C CB . ILE 308 308 ? A -39.568 18.033 29.577 1.000 1 A 57.827 1 ATOM 2477 C CG1 . ILE 308 308 ? A -39.268 16.916 28.571 1.000 1 A 57.827 1 ATOM 2478 C CG2 . ILE 308 308 ? A -40.640 17.594 30.579 1.000 1 A 57.827 1 ATOM 2479 C CD1 . ILE 308 308 ? A -38.691 15.655 29.199 1.000 1 A 57.827 1 ATOM 2480 N N . VAL 309 309 ? A -39.441 21.306 30.201 1.000 1 A 57.651 1 ATOM 2481 C CA . VAL 309 309 ? A -39.808 22.333 31.170 1.000 1 A 57.651 1 ATOM 2482 C C . VAL 309 309 ? A -40.624 23.426 30.482 1.000 1 A 57.651 1 ATOM 2483 O O . VAL 309 309 ? A -41.600 23.927 31.043 1.000 1 A 57.651 1 ATOM 2484 C CB . VAL 309 309 ? A -38.562 22.945 31.848 1.000 1 A 57.651 1 ATOM 2485 C CG1 . VAL 309 309 ? A -38.962 24.080 32.789 1.000 1 A 57.651 1 ATOM 2486 C CG2 . VAL 309 309 ? A -37.784 21.869 32.603 1.000 1 A 57.651 1 ATOM 2487 N N . GLY 310 310 ? A -40.251 23.714 29.119 1.000 1 A 61.181 1 ATOM 2488 C CA . GLY 310 310 ? A -41.052 24.676 28.379 1.000 1 A 61.181 1 ATOM 2489 C C . GLY 310 310 ? A -42.440 24.165 28.044 1.000 1 A 61.181 1 ATOM 2490 O O . GLY 310 310 ? A -43.419 24.910 28.124 1.000 1 A 61.181 1 ATOM 2491 N N . ILE 311 311 ? A -42.551 22.805 27.751 1.000 1 A 72.939 1 ATOM 2492 C CA . ILE 311 311 ? A -43.844 22.191 27.470 1.000 1 A 72.939 1 ATOM 2493 C C . ILE 311 311 ? A -44.659 22.092 28.758 1.000 1 A 72.939 1 ATOM 2494 O O . ILE 311 311 ? A -45.849 22.416 28.773 1.000 1 A 72.939 1 ATOM 2495 C CB . ILE 311 311 ? A -43.679 20.794 26.831 1.000 1 A 72.939 1 ATOM 2496 C CG1 . ILE 311 311 ? A -43.020 20.911 25.453 1.000 1 A 72.939 1 ATOM 2497 C CG2 . ILE 311 311 ? A -45.032 20.082 26.733 1.000 1 A 72.939 1 ATOM 2498 C CD1 . ILE 311 311 ? A -42.680 19.572 24.813 1.000 1 A 72.939 1 ATOM 2499 N N . ILE 312 312 ? A -43.915 21.638 29.868 1.000 1 A 76.206 1 ATOM 2500 C CA . ILE 312 312 ? A -44.612 21.549 31.147 1.000 1 A 76.206 1 ATOM 2501 C C . ILE 312 312 ? A -45.028 22.945 31.605 1.000 1 A 76.206 1 ATOM 2502 O O . ILE 312 312 ? A -46.159 23.146 32.055 1.000 1 A 76.206 1 ATOM 2503 C CB . ILE 312 312 ? A -43.734 20.871 32.222 1.000 1 A 76.206 1 ATOM 2504 C CG1 . ILE 312 312 ? A -43.486 19.402 31.861 1.000 1 A 76.206 1 ATOM 2505 C CG2 . ILE 312 312 ? A -44.383 20.993 33.604 1.000 1 A 76.206 1 ATOM 2506 C CD1 . ILE 312 312 ? A -42.576 18.670 32.837 1.000 1 A 76.206 1 ATOM 2507 N N . ALA 313 313 ? A -44.115 23.958 31.488 1.000 1 A 76.752 1 ATOM 2508 C CA . ALA 313 313 ? A -44.447 25.338 31.834 1.000 1 A 76.752 1 ATOM 2509 C C . ALA 313 313 ? A -45.554 25.878 30.934 1.000 1 A 76.752 1 ATOM 2510 O O . ALA 313 313 ? A -46.467 26.561 31.404 1.000 1 A 76.752 1 ATOM 2511 C CB . ALA 313 313 ? A -43.207 26.223 31.737 1.000 1 A 76.752 1 ATOM 2512 N N . GLY 314 314 ? A -45.439 25.530 29.549 1.000 1 A 82.703 1 ATOM 2513 C CA . GLY 314 314 ? A -46.480 25.934 28.618 1.000 1 A 82.703 1 ATOM 2514 C C . GLY 314 314 ? A -47.823 25.292 28.910 1.000 1 A 82.703 1 ATOM 2515 O O . GLY 314 314 ? A -48.860 25.957 28.859 1.000 1 A 82.703 1 ATOM 2516 N N . LEU 315 315 ? A -47.743 23.958 29.274 1.000 1 A 85.140 1 ATOM 2517 C CA . LEU 315 315 ? A -48.972 23.241 29.594 1.000 1 A 85.140 1 ATOM 2518 C C . LEU 315 315 ? A -49.566 23.740 30.907 1.000 1 A 85.140 1 ATOM 2519 O O . LEU 315 315 ? A -50.787 23.864 31.034 1.000 1 A 85.140 1 ATOM 2520 C CB . LEU 315 315 ? A -48.708 21.736 29.680 1.000 1 A 85.140 1 ATOM 2521 C CG . LEU 315 315 ? A -48.511 21.005 28.351 1.000 1 A 85.140 1 ATOM 2522 C CD1 . LEU 315 315 ? A -48.004 19.588 28.595 1.000 1 A 85.140 1 ATOM 2523 C CD2 . LEU 315 315 ? A -49.811 20.984 27.554 1.000 1 A 85.140 1 ATOM 2524 N N . VAL 316 316 ? A -48.652 24.018 31.884 1.000 1 A 83.500 1 ATOM 2525 C CA . VAL 316 316 ? A -49.103 24.550 33.166 1.000 1 A 83.500 1 ATOM 2526 C C . VAL 316 316 ? A -49.711 25.936 32.965 1.000 1 A 83.500 1 ATOM 2527 O O . VAL 316 316 ? A -50.764 26.246 33.527 1.000 1 A 83.500 1 ATOM 2528 C CB . VAL 316 316 ? A -47.948 24.618 34.190 1.000 1 A 83.500 1 ATOM 2529 C CG1 . VAL 316 316 ? A -48.379 25.384 35.440 1.000 1 A 83.500 1 ATOM 2530 C CG2 . VAL 316 316 ? A -47.477 23.212 34.557 1.000 1 A 83.500 1 ATOM 2531 N N . LEU 317 317 ? A -49.057 26.751 32.102 1.000 1 A 84.954 1 ATOM 2532 C CA . LEU 317 317 ? A -49.572 28.087 31.820 1.000 1 A 84.954 1 ATOM 2533 C C . LEU 317 317 ? A -50.882 28.012 31.042 1.000 1 A 84.954 1 ATOM 2534 O O . LEU 317 317 ? A -51.824 28.751 31.334 1.000 1 A 84.954 1 ATOM 2535 C CB . LEU 317 317 ? A -48.543 28.902 31.031 1.000 1 A 84.954 1 ATOM 2536 C CG . LEU 317 317 ? A -47.340 29.421 31.821 1.000 1 A 84.954 1 ATOM 2537 C CD1 . LEU 317 317 ? A -46.275 29.959 30.871 1.000 1 A 84.954 1 ATOM 2538 C CD2 . LEU 317 317 ? A -47.774 30.496 32.811 1.000 1 A 84.954 1 ATOM 2539 N N . LEU 318 318 ? A -50.912 27.086 30.089 1.000 1 A 84.789 1 ATOM 2540 C CA . LEU 318 318 ? A -52.142 26.887 29.330 1.000 1 A 84.789 1 ATOM 2541 C C . LEU 318 318 ? A -53.254 26.352 30.226 1.000 1 A 84.789 1 ATOM 2542 O O . LEU 318 318 ? A -54.406 26.776 30.114 1.000 1 A 84.789 1 ATOM 2543 C CB . LEU 318 318 ? A -51.902 25.924 28.164 1.000 1 A 84.789 1 ATOM 2544 C CG . LEU 318 318 ? A -52.530 26.313 26.824 1.000 1 A 84.789 1 ATOM 2545 C CD1 . LEU 318 318 ? A -51.488 26.960 25.918 1.000 1 A 84.789 1 ATOM 2546 C CD2 . LEU 318 318 ? A -53.149 25.093 26.150 1.000 1 A 84.789 1 ATOM 2547 N N . GLY 319 319 ? A -52.803 25.370 31.076 1.000 1 A 83.944 1 ATOM 2548 C CA . GLY 319 319 ? A -53.774 24.872 32.037 1.000 1 A 83.944 1 ATOM 2549 C C . GLY 319 319 ? A -54.300 25.950 32.967 1.000 1 A 83.944 1 ATOM 2550 O O . GLY 319 319 ? A -55.494 25.987 33.271 1.000 1 A 83.944 1 ATOM 2551 N N . ALA 320 320 ? A -53.447 26.852 33.486 1.000 1 A 82.978 1 ATOM 2552 C CA . ALA 320 320 ? A -53.847 27.947 34.367 1.000 1 A 82.978 1 ATOM 2553 C C . ALA 320 320 ? A -54.723 28.954 33.627 1.000 1 A 82.978 1 ATOM 2554 O O . ALA 320 320 ? A -55.699 29.464 34.183 1.000 1 A 82.978 1 ATOM 2555 C CB . ALA 320 320 ? A -52.617 28.641 34.946 1.000 1 A 82.978 1 ATOM 2556 N N . VAL 321 321 ? A -54.418 29.266 32.364 1.000 1 A 84.244 1 ATOM 2557 C CA . VAL 321 321 ? A -55.191 30.197 31.548 1.000 1 A 84.244 1 ATOM 2558 C C . VAL 321 321 ? A -56.573 29.611 31.264 1.000 1 A 84.244 1 ATOM 2559 O O . VAL 321 321 ? A -57.584 30.309 31.373 1.000 1 A 84.244 1 ATOM 2560 C CB . VAL 321 321 ? A -54.468 30.524 30.222 1.000 1 A 84.244 1 ATOM 2561 C CG1 . VAL 321 321 ? A -55.376 31.334 29.298 1.000 1 A 84.244 1 ATOM 2562 C CG2 . VAL 321 321 ? A -53.169 31.279 30.496 1.000 1 A 84.244 1 ATOM 2563 N N . ILE 322 322 ? A -56.540 28.303 30.901 1.000 1 A 82.947 1 ATOM 2564 C CA . ILE 322 322 ? A -57.808 27.646 30.603 1.000 1 A 82.947 1 ATOM 2565 C C . ILE 322 322 ? A -58.659 27.571 31.869 1.000 1 A 82.947 1 ATOM 2566 O O . ILE 322 322 ? A -59.862 27.841 31.832 1.000 1 A 82.947 1 ATOM 2567 C CB . ILE 322 322 ? A -57.589 26.233 30.020 1.000 1 A 82.947 1 ATOM 2568 C CG1 . ILE 322 322 ? A -56.906 26.320 28.650 1.000 1 A 82.947 1 ATOM 2569 C CG2 . ILE 322 322 ? A -58.917 25.477 29.922 1.000 1 A 82.947 1 ATOM 2570 C CD1 . ILE 322 322 ? A -56.532 24.969 28.057 1.000 1 A 82.947 1 ATOM 2571 N N . THR 323 323 ? A -58.006 27.199 32.923 1.000 1 A 79.632 1 ATOM 2572 C CA . THR 323 323 ? A -58.733 27.167 34.187 1.000 1 A 79.632 1 ATOM 2573 C C . THR 323 323 ? A -59.207 28.565 34.574 1.000 1 A 79.632 1 ATOM 2574 O O . THR 323 323 ? A -60.336 28.736 35.040 1.000 1 A 79.632 1 ATOM 2575 C CB . THR 323 323 ? A -57.863 26.587 35.318 1.000 1 A 79.632 1 ATOM 2576 O OG1 . THR 323 323 ? A -56.487 26.618 34.917 1.000 1 A 79.632 1 ATOM 2577 C CG2 . THR 323 323 ? A -58.256 25.147 35.631 1.000 1 A 79.632 1 ATOM 2578 N N . GLY 324 324 ? A -58.328 29.592 34.418 1.000 1 A 80.378 1 ATOM 2579 C CA . GLY 324 324 ? A -58.731 30.969 34.653 1.000 1 A 80.378 1 ATOM 2580 C C . GLY 324 324 ? A -59.856 31.426 33.744 1.000 1 A 80.378 1 ATOM 2581 O O . GLY 324 324 ? A -60.788 32.097 34.191 1.000 1 A 80.378 1 ATOM 2582 N N . ALA 325 325 ? A -59.818 31.105 32.456 1.000 1 A 80.440 1 ATOM 2583 C CA . ALA 325 325 ? A -60.844 31.467 31.482 1.000 1 A 80.440 1 ATOM 2584 C C . ALA 325 325 ? A -62.166 30.772 31.794 1.000 1 A 80.440 1 ATOM 2585 O O . ALA 325 325 ? A -63.235 31.377 31.684 1.000 1 A 80.440 1 ATOM 2586 C CB . ALA 325 325 ? A -60.383 31.119 30.069 1.000 1 A 80.440 1 ATOM 2587 N N . VAL 326 326 ? A -62.061 29.533 32.153 1.000 1 A 81.293 1 ATOM 2588 C CA . VAL 326 326 ? A -63.260 28.768 32.478 1.000 1 A 81.293 1 ATOM 2589 C C . VAL 326 326 ? A -63.888 29.313 33.759 1.000 1 A 81.293 1 ATOM 2590 O O . VAL 326 326 ? A -65.108 29.472 33.841 1.000 1 A 81.293 1 ATOM 2591 C CB . VAL 326 326 ? A -62.949 27.263 32.635 1.000 1 A 81.293 1 ATOM 2592 C CG1 . VAL 326 326 ? A -64.168 26.512 33.167 1.000 1 A 81.293 1 ATOM 2593 C CG2 . VAL 326 326 ? A -62.491 26.672 31.303 1.000 1 A 81.293 1 ATOM 2594 N N . VAL 327 327 ? A -63.115 29.617 34.757 1.000 1 A 79.617 1 ATOM 2595 C CA . VAL 327 327 ? A -63.608 30.193 36.004 1.000 1 A 79.617 1 ATOM 2596 C C . VAL 327 327 ? A -64.190 31.579 35.737 1.000 1 A 79.617 1 ATOM 2597 O O . VAL 327 327 ? A -65.249 31.927 36.266 1.000 1 A 79.617 1 ATOM 2598 C CB . VAL 327 327 ? A -62.494 30.279 37.070 1.000 1 A 79.617 1 ATOM 2599 C CG1 . VAL 327 327 ? A -62.975 31.058 38.293 1.000 1 A 79.617 1 ATOM 2600 C CG2 . VAL 327 327 ? A -62.032 28.880 37.472 1.000 1 A 79.617 1 ATOM 2601 N N . ALA 328 328 ? A -63.538 32.425 34.922 1.000 1 A 76.641 1 ATOM 2602 C CA . ALA 328 328 ? A -64.043 33.745 34.554 1.000 1 A 76.641 1 ATOM 2603 C C . ALA 328 328 ? A -65.350 33.635 33.773 1.000 1 A 76.641 1 ATOM 2604 O O . ALA 328 328 ? A -66.280 34.415 33.993 1.000 1 A 76.641 1 ATOM 2605 C CB . ALA 328 328 ? A -63.002 34.505 33.736 1.000 1 A 76.641 1 ATOM 2606 N N . ALA 329 329 ? A -65.404 32.699 32.792 1.000 1 A 76.659 1 ATOM 2607 C CA . ALA 329 329 ? A -66.615 32.474 32.007 1.000 1 A 76.659 1 ATOM 2608 C C . ALA 329 329 ? A -67.760 31.990 32.892 1.000 1 A 76.659 1 ATOM 2609 O O . ALA 329 329 ? A -68.906 32.414 32.723 1.000 1 A 76.659 1 ATOM 2610 C CB . ALA 329 329 ? A -66.346 31.468 30.891 1.000 1 A 76.659 1 ATOM 2611 N N . VAL 330 330 ? A -67.442 31.051 33.820 1.000 1 A 75.705 1 ATOM 2612 C CA . VAL 330 330 ? A -68.467 30.525 34.715 1.000 1 A 75.705 1 ATOM 2613 C C . VAL 330 330 ? A -68.935 31.624 35.668 1.000 1 A 75.705 1 ATOM 2614 O O . VAL 330 330 ? A -70.132 31.757 35.932 1.000 1 A 75.705 1 ATOM 2615 C CB . VAL 330 330 ? A -67.952 29.309 35.516 1.000 1 A 75.705 1 ATOM 2616 C CG1 . VAL 330 330 ? A -68.955 28.909 36.596 1.000 1 A 75.705 1 ATOM 2617 C CG2 . VAL 330 330 ? A -67.671 28.134 34.581 1.000 1 A 75.705 1 ATOM 2618 N N . MET 331 331 ? A -68.023 32.501 36.140 1.000 1 A 71.812 1 ATOM 2619 C CA . MET 331 331 ? A -68.380 33.598 37.035 1.000 1 A 71.812 1 ATOM 2620 C C . MET 331 331 ? A -69.142 34.686 36.285 1.000 1 A 71.812 1 ATOM 2621 O O . MET 331 331 ? A -70.061 35.296 36.833 1.000 1 A 71.812 1 ATOM 2622 C CB . MET 331 331 ? A -67.129 34.190 37.687 1.000 1 A 71.812 1 ATOM 2623 C CG . MET 331 331 ? A -66.519 33.302 38.759 1.000 1 A 71.812 1 ATOM 2624 S SD . MET 331 331 ? A -65.372 34.217 39.861 1.000 1 A 71.812 1 ATOM 2625 C CE . MET 331 331 ? A -64.399 35.125 38.627 1.000 1 A 71.812 1 ATOM 2626 N N . TRP 332 332 ? A -68.758 34.941 35.014 1.000 1 A 71.661 1 ATOM 2627 C CA . TRP 332 332 ? A -69.455 35.902 34.165 1.000 1 A 71.661 1 ATOM 2628 C C . TRP 332 332 ? A -70.855 35.407 33.818 1.000 1 A 71.661 1 ATOM 2629 O O . TRP 332 332 ? A -71.798 36.197 33.736 1.000 1 A 71.661 1 ATOM 2630 C CB . TRP 332 332 ? A -68.660 36.164 32.883 1.000 1 A 71.661 1 ATOM 2631 C CG . TRP 332 332 ? A -68.791 37.564 32.361 1.000 1 A 71.661 1 ATOM 2632 C CD1 . TRP 332 332 ? A -69.436 38.610 32.960 1.000 1 A 71.661 1 ATOM 2633 C CD2 . TRP 332 332 ? A -68.267 38.067 31.128 1.000 1 A 71.661 1 ATOM 2634 N NE1 . TRP 332 332 ? A -69.344 39.735 32.173 1.000 1 A 71.661 1 ATOM 2635 C CE2 . TRP 332 332 ? A -68.632 39.429 31.045 1.000 1 A 71.661 1 ATOM 2636 C CE3 . TRP 332 332 ? A -67.523 37.499 30.086 1.000 1 A 71.661 1 ATOM 2637 C CZ2 . TRP 332 332 ? A -68.277 40.232 29.958 1.000 1 A 71.661 1 ATOM 2638 C CZ3 . TRP 332 332 ? A -67.170 38.300 29.005 1.000 1 A 71.661 1 ATOM 2639 C CH2 . TRP 332 332 ? A -67.549 39.651 28.952 1.000 1 A 71.661 1 ATOM 2640 N N . ARG 333 333 ? A -71.014 34.082 33.630 1.000 1 A 62.608 1 ATOM 2641 C CA . ARG 333 333 ? A -72.339 33.528 33.371 1.000 1 A 62.608 1 ATOM 2642 C C . ARG 333 333 ? A -73.195 33.545 34.633 1.000 1 A 62.608 1 ATOM 2643 O O . ARG 333 333 ? A -74.405 33.775 34.566 1.000 1 A 62.608 1 ATOM 2644 C CB . ARG 333 333 ? A -72.229 32.100 32.832 1.000 1 A 62.608 1 ATOM 2645 C CG . ARG 333 333 ? A -72.303 32.006 31.316 1.000 1 A 62.608 1 ATOM 2646 C CD . ARG 333 333 ? A -72.323 30.561 30.841 1.000 1 A 62.608 1 ATOM 2647 N NE . ARG 333 333 ? A -72.197 30.469 29.389 1.000 1 A 62.608 1 ATOM 2648 C CZ . ARG 333 333 ? A -72.419 29.368 28.677 1.000 1 A 62.608 1 ATOM 2649 N NH1 . ARG 333 333 ? A -72.784 28.238 29.271 1.000 1 A 62.608 1 ATOM 2650 N NH2 . ARG 333 333 ? A -72.274 29.396 27.360 1.000 1 A 62.608 1 ATOM 2651 N N . ARG 334 334 ? A -72.534 33.439 35.759 1.000 1 A 59.685 1 ATOM 2652 C CA . ARG 334 334 ? A -73.296 33.473 37.004 1.000 1 A 59.685 1 ATOM 2653 C C . ARG 334 334 ? A -73.667 34.903 37.380 1.000 1 A 59.685 1 ATOM 2654 O O . ARG 334 334 ? A -74.760 35.152 37.892 1.000 1 A 59.685 1 ATOM 2655 C CB . ARG 334 334 ? A -72.501 32.822 38.138 1.000 1 A 59.685 1 ATOM 2656 C CG . ARG 334 334 ? A -73.367 32.123 39.174 1.000 1 A 59.685 1 ATOM 2657 C CD . ARG 334 334 ? A -72.526 31.414 40.227 1.000 1 A 59.685 1 ATOM 2658 N NE . ARG 334 334 ? A -73.354 30.643 41.149 1.000 1 A 59.685 1 ATOM 2659 C CZ . ARG 334 334 ? A -72.885 29.867 42.122 1.000 1 A 59.685 1 ATOM 2660 N NH1 . ARG 334 334 ? A -71.577 29.744 42.320 1.000 1 A 59.685 1 ATOM 2661 N NH2 . ARG 334 334 ? A -73.728 29.209 42.904 1.000 1 A 59.685 1 ATOM 2662 N N . LYS 335 335 ? A -72.805 35.912 36.952 1.000 1 A 53.315 1 ATOM 2663 C CA . LYS 335 335 ? A -73.047 37.316 37.274 1.000 1 A 53.315 1 ATOM 2664 C C . LYS 335 335 ? A -73.960 37.967 36.239 1.000 1 A 53.315 1 ATOM 2665 O O . LYS 335 335 ? A -74.761 38.843 36.574 1.000 1 A 53.315 1 ATOM 2666 C CB . LYS 335 335 ? A -71.727 38.082 37.364 1.000 1 A 53.315 1 ATOM 2667 C CG . LYS 335 335 ? A -71.765 39.273 38.309 1.000 1 A 53.315 1 ATOM 2668 C CD . LYS 335 335 ? A -70.374 39.849 38.540 1.000 1 A 53.315 1 ATOM 2669 C CE . LYS 335 335 ? A -70.404 41.011 39.523 1.000 1 A 53.315 1 ATOM 2670 N NZ . LYS 335 335 ? A -69.050 41.611 39.715 1.000 1 A 53.315 1 ATOM 2671 N N . SER 336 336 ? A -74.046 37.387 34.993 1.000 1 A 50.938 1 ATOM 2672 C CA . SER 336 336 ? A -74.900 37.975 33.967 1.000 1 A 50.938 1 ATOM 2673 C C . SER 336 336 ? A -76.291 37.351 33.981 1.000 1 A 50.938 1 ATOM 2674 O O . SER 336 336 ? A -77.221 37.880 33.366 1.000 1 A 50.938 1 ATOM 2675 C CB . SER 336 336 ? A -74.270 37.807 32.583 1.000 1 A 50.938 1 ATOM 2676 O OG . SER 336 336 ? A -73.948 36.448 32.340 1.000 1 A 50.938 1 ATOM 2677 N N . SER 337 337 ? A -76.484 36.287 34.783 1.000 1 A 51.456 1 ATOM 2678 C CA . SER 337 337 ? A -77.835 35.747 34.901 1.000 1 A 51.456 1 ATOM 2679 C C . SER 337 337 ? A -78.602 36.421 36.034 1.000 1 A 51.456 1 ATOM 2680 O O . SER 337 337 ? A -79.833 36.366 36.074 1.000 1 A 51.456 1 ATOM 2681 C CB . SER 337 337 ? A -77.790 34.236 35.133 1.000 1 A 51.456 1 ATOM 2682 O OG . SER 337 337 ? A -77.051 33.928 36.302 1.000 1 A 51.456 1 ATOM 2683 N N . ASP 338 338 ? A -77.953 37.450 36.704 1.000 1 A 48.078 1 ATOM 2684 C CA . ASP 338 338 ? A -78.792 38.135 37.683 1.000 1 A 48.078 1 ATOM 2685 C C . ASP 338 338 ? A -78.990 39.601 37.306 1.000 1 A 48.078 1 ATOM 2686 O O . ASP 338 338 ? A -79.746 40.320 37.964 1.000 1 A 48.078 1 ATOM 2687 C CB . ASP 338 338 ? A -78.181 38.028 39.081 1.000 1 A 48.078 1 ATOM 2688 C CG . ASP 338 338 ? A -79.027 37.205 40.037 1.000 1 A 48.078 1 ATOM 2689 O OD1 . ASP 338 338 ? A -80.109 36.726 39.635 1.000 1 A 48.078 1 ATOM 2690 O OD2 . ASP 338 338 ? A -78.609 37.038 41.203 1.000 1 A 48.078 1 ATOM 2691 N N . ARG 339 339 ? A -78.931 40.029 36.034 1.000 1 A 42.234 1 ATOM 2692 C CA . ARG 339 339 ? A -79.194 41.438 35.760 1.000 1 A 42.234 1 ATOM 2693 C C . ARG 339 339 ? A -80.088 41.601 34.535 1.000 1 A 42.234 1 ATOM 2694 O O . ARG 339 339 ? A -79.811 41.031 33.478 1.000 1 A 42.234 1 ATOM 2695 C CB . ARG 339 339 ? A -77.882 42.200 35.556 1.000 1 A 42.234 1 ATOM 2696 C CG . ARG 339 339 ? A -77.979 43.686 35.864 1.000 1 A 42.234 1 ATOM 2697 C CD . ARG 339 339 ? A -76.609 44.350 35.875 1.000 1 A 42.234 1 ATOM 2698 N NE . ARG 339 339 ? A -76.651 45.682 35.279 1.000 1 A 42.234 1 ATOM 2699 C CZ . ARG 339 339 ? A -75.620 46.521 35.224 1.000 1 A 42.234 1 ATOM 2700 N NH1 . ARG 339 339 ? A -74.440 46.179 35.731 1.000 1 A 42.234 1 ATOM 2701 N NH2 . ARG 339 339 ? A -75.768 47.710 34.658 1.000 1 A 42.234 1 ATOM 2702 N N . LYS 340 340 ? A -81.471 41.394 34.578 1.000 1 A 36.213 1 ATOM 2703 C CA . LYS 340 340 ? A -82.431 42.414 34.167 1.000 1 A 36.213 1 ATOM 2704 C C . LYS 340 340 ? A -82.875 42.202 32.722 1.000 1 A 36.213 1 ATOM 2705 O O . LYS 340 340 ? A -82.040 42.079 31.823 1.000 1 A 36.213 1 ATOM 2706 C CB . LYS 340 340 ? A -81.833 43.812 34.331 1.000 1 A 36.213 1 ATOM 2707 C CG . LYS 340 340 ? A -82.551 44.676 35.358 1.000 1 A 36.213 1 ATOM 2708 C CD . LYS 340 340 ? A -81.949 46.074 35.431 1.000 1 A 36.213 1 ATOM 2709 C CE . LYS 340 340 ? A -82.646 46.929 36.480 1.000 1 A 36.213 1 ATOM 2710 N NZ . LYS 340 340 ? A -82.023 48.282 36.595 1.000 1 A 36.213 1 ATOM 2711 N N . GLY 341 341 ? A -84.129 41.541 32.530 1.000 1 A 33.451 1 ATOM 2712 C CA . GLY 341 341 ? A -85.339 42.236 32.120 1.000 1 A 33.451 1 ATOM 2713 C C . GLY 341 341 ? A -85.203 42.931 30.779 1.000 1 A 33.451 1 ATOM 2714 O O . GLY 341 341 ? A -84.239 43.664 30.548 1.000 1 A 33.451 1 ATOM 2715 N N . GLY 342 342 ? A -85.714 42.334 29.708 1.000 1 A 30.975 1 ATOM 2716 C CA . GLY 342 342 ? A -86.580 43.136 28.859 1.000 1 A 30.975 1 ATOM 2717 C C . GLY 342 342 ? A -86.200 43.076 27.392 1.000 1 A 30.975 1 ATOM 2718 O O . GLY 342 342 ? A -85.015 43.090 27.051 1.000 1 A 30.975 1 ATOM 2719 N N . SER 343 343 ? A -87.008 42.355 26.582 1.000 1 A 28.650 1 ATOM 2720 C CA . SER 343 343 ? A -87.880 42.852 25.523 1.000 1 A 28.650 1 ATOM 2721 C C . SER 343 343 ? A -87.327 42.507 24.144 1.000 1 A 28.650 1 ATOM 2722 O O . SER 343 343 ? A -86.138 42.695 23.881 1.000 1 A 28.650 1 ATOM 2723 C CB . SER 343 343 ? A -88.060 44.366 25.644 1.000 1 A 28.650 1 ATOM 2724 O OG . SER 343 343 ? A -88.246 44.954 24.368 1.000 1 A 28.650 1 ATOM 2725 N N . TYR 344 344 ? A -87.979 41.560 23.496 1.000 1 A 27.490 1 ATOM 2726 C CA . TYR 344 344 ? A -88.782 41.498 22.279 1.000 1 A 27.490 1 ATOM 2727 C C . TYR 344 344 ? A -88.155 42.334 21.169 1.000 1 A 27.490 1 ATOM 2728 O O . TYR 344 344 ? A -87.750 43.477 21.397 1.000 1 A 27.490 1 ATOM 2729 C CB . TYR 344 344 ? A -90.210 41.980 22.552 1.000 1 A 27.490 1 ATOM 2730 C CG . TYR 344 344 ? A -91.236 41.401 21.609 1.000 1 A 27.490 1 ATOM 2731 C CD1 . TYR 344 344 ? A -91.798 42.179 20.598 1.000 1 A 27.490 1 ATOM 2732 C CD2 . TYR 344 344 ? A -91.646 40.078 21.725 1.000 1 A 27.490 1 ATOM 2733 C CE1 . TYR 344 344 ? A -92.746 41.651 19.727 1.000 1 A 27.490 1 ATOM 2734 C CE2 . TYR 344 344 ? A -92.593 39.539 20.860 1.000 1 A 27.490 1 ATOM 2735 C CZ . TYR 344 344 ? A -93.136 40.332 19.866 1.000 1 A 27.490 1 ATOM 2736 O OH . TYR 344 344 ? A -94.073 39.804 19.006 1.000 1 A 27.490 1 ATOM 2737 N N . THR 345 345 ? A -87.884 41.680 19.894 1.000 1 A 33.582 1 ATOM 2738 C CA . THR 345 345 ? A -88.263 42.038 18.532 1.000 1 A 33.582 1 ATOM 2739 C C . THR 345 345 ? A -87.470 41.220 17.517 1.000 1 A 33.582 1 ATOM 2740 O O . THR 345 345 ? A -86.252 41.073 17.646 1.000 1 A 33.582 1 ATOM 2741 C CB . THR 345 345 ? A -88.045 43.539 18.268 1.000 1 A 33.582 1 ATOM 2742 O OG1 . THR 345 345 ? A -87.497 44.150 19.442 1.000 1 A 33.582 1 ATOM 2743 C CG2 . THR 345 345 ? A -89.358 44.232 17.914 1.000 1 A 33.582 1 ATOM 2744 N N . GLN 346 346 ? A -88.054 40.299 16.754 1.000 1 A 30.510 1 ATOM 2745 C CA . GLN 346 346 ? A -88.450 40.097 15.365 1.000 1 A 30.510 1 ATOM 2746 C C . GLN 346 346 ? A -87.417 40.683 14.407 1.000 1 A 30.510 1 ATOM 2747 O O . GLN 346 346 ? A -86.971 41.818 14.586 1.000 1 A 30.510 1 ATOM 2748 C CB . GLN 346 346 ? A -89.822 40.719 15.101 1.000 1 A 30.510 1 ATOM 2749 C CG . GLN 346 346 ? A -90.452 40.284 13.784 1.000 1 A 30.510 1 ATOM 2750 C CD . GLN 346 346 ? A -91.889 40.747 13.640 1.000 1 A 30.510 1 ATOM 2751 O OE1 . GLN 346 346 ? A -92.457 41.350 14.557 1.000 1 A 30.510 1 ATOM 2752 N NE2 . GLN 346 346 ? A -92.489 40.469 12.487 1.000 1 A 30.510 1 ATOM 2753 N N . ALA 347 347 ? A -86.917 39.843 13.418 1.000 1 A 30.668 1 ATOM 2754 C CA . ALA 347 347 ? A -86.920 40.085 11.977 1.000 1 A 30.668 1 ATOM 2755 C C . ALA 347 347 ? A -85.866 39.233 11.276 1.000 1 A 30.668 1 ATOM 2756 O O . ALA 347 347 ? A -84.730 39.130 11.744 1.000 1 A 30.668 1 ATOM 2757 C CB . ALA 347 347 ? A -86.683 41.565 11.686 1.000 1 A 30.668 1 ATOM 2758 N N . ALA 348 348 ? A -86.265 38.297 10.413 1.000 1 A 30.300 1 ATOM 2759 C CA . ALA 348 348 ? A -86.310 38.292 8.953 1.000 1 A 30.300 1 ATOM 2760 C C . ALA 348 348 ? A -84.963 37.880 8.364 1.000 1 A 30.300 1 ATOM 2761 O O . ALA 348 348 ? A -83.915 38.364 8.798 1.000 1 A 30.300 1 ATOM 2762 C CB . ALA 348 348 ? A -86.718 39.666 8.429 1.000 1 A 30.300 1 ATOM 2763 N N . SER 349 349 ? A -84.925 36.781 7.653 1.000 1 A 30.206 1 ATOM 2764 C CA . SER 349 349 ? A -84.712 36.780 6.210 1.000 1 A 30.206 1 ATOM 2765 C C . SER 349 349 ? A -83.457 35.999 5.836 1.000 1 A 30.206 1 ATOM 2766 O O . SER 349 349 ? A -82.422 36.125 6.494 1.000 1 A 30.206 1 ATOM 2767 C CB . SER 349 349 ? A -84.607 38.212 5.683 1.000 1 A 30.206 1 ATOM 2768 O OG . SER 349 349 ? A -83.343 38.772 5.995 1.000 1 A 30.206 1 ATOM 2769 N N . SER 350 350 ? A -83.624 34.789 5.150 1.000 1 A 29.862 1 ATOM 2770 C CA . SER 350 350 ? A -83.419 34.419 3.754 1.000 1 A 29.862 1 ATOM 2771 C C . SER 350 350 ? A -81.990 34.713 3.308 1.000 1 A 29.862 1 ATOM 2772 O O . SER 350 350 ? A -81.415 35.735 3.686 1.000 1 A 29.862 1 ATOM 2773 C CB . SER 350 350 ? A -84.406 35.160 2.851 1.000 1 A 29.862 1 ATOM 2774 O OG . SER 350 350 ? A -84.176 36.558 2.896 1.000 1 A 29.862 1 ATOM 2775 N N . ASP 351 351 ? A -81.276 33.677 2.844 1.000 1 A 32.013 1 ATOM 2776 C CA . ASP 351 351 ? A -80.720 33.720 1.495 1.000 1 A 32.013 1 ATOM 2777 C C . ASP 351 351 ? A -79.231 33.380 1.503 1.000 1 A 32.013 1 ATOM 2778 O O . ASP 351 351 ? A -78.471 33.919 2.310 1.000 1 A 32.013 1 ATOM 2779 C CB . ASP 351 351 ? A -80.942 35.097 0.867 1.000 1 A 32.013 1 ATOM 2780 C CG . ASP 351 351 ? A -82.069 35.111 -0.151 1.000 1 A 32.013 1 ATOM 2781 O OD1 . ASP 351 351 ? A -82.616 34.033 -0.469 1.000 1 A 32.013 1 ATOM 2782 O OD2 . ASP 351 351 ? A -82.411 36.209 -0.640 1.000 1 A 32.013 1 ATOM 2783 N N . SER 352 352 ? A -78.868 32.283 0.875 1.000 1 A 36.237 1 ATOM 2784 C CA . SER 352 352 ? A -78.014 32.316 -0.307 1.000 1 A 36.237 1 ATOM 2785 C C . SER 352 352 ? A -76.814 31.388 -0.148 1.000 1 A 36.237 1 ATOM 2786 O O . SER 352 352 ? A -76.172 31.370 0.904 1.000 1 A 36.237 1 ATOM 2787 C CB . SER 352 352 ? A -77.533 33.741 -0.582 1.000 1 A 36.237 1 ATOM 2788 O OG . SER 352 352 ? A -77.020 34.336 0.597 1.000 1 A 36.237 1 ATOM 2789 N N . ALA 353 353 ? A -76.916 30.175 -0.777 1.000 1 A 31.635 1 ATOM 2790 C CA . ALA 353 353 ? A -76.231 29.887 -2.035 1.000 1 A 31.635 1 ATOM 2791 C C . ALA 353 353 ? A -74.717 29.885 -1.847 1.000 1 A 31.635 1 ATOM 2792 O O . ALA 353 353 ? A -74.163 30.779 -1.203 1.000 1 A 31.635 1 ATOM 2793 C CB . ALA 353 353 ? A -76.630 30.904 -3.102 1.000 1 A 31.635 1 ATOM 2794 N N . GLN 354 354 ? A -74.121 28.730 -2.011 1.000 1 A 33.830 1 ATOM 2795 C CA . GLN 354 354 ? A -73.054 28.674 -3.004 1.000 1 A 33.830 1 ATOM 2796 C C . GLN 354 354 ? A -71.852 27.895 -2.478 1.000 1 A 33.830 1 ATOM 2797 O O . GLN 354 354 ? A -71.337 28.193 -1.398 1.000 1 A 33.830 1 ATOM 2798 C CB . GLN 354 354 ? A -72.627 30.084 -3.414 1.000 1 A 33.830 1 ATOM 2799 C CG . GLN 354 354 ? A -72.793 30.370 -4.901 1.000 1 A 33.830 1 ATOM 2800 C CD . GLN 354 354 ? A -72.476 31.809 -5.261 1.000 1 A 33.830 1 ATOM 2801 O OE1 . GLN 354 354 ? A -72.251 32.648 -4.383 1.000 1 A 33.830 1 ATOM 2802 N NE2 . GLN 354 354 ? A -72.457 32.105 -6.556 1.000 1 A 33.830 1 ATOM 2803 N N . GLY 355 355 ? A -71.734 26.600 -2.868 1.000 1 A 28.069 1 ATOM 2804 C CA . GLY 355 355 ? A -70.736 26.248 -3.865 1.000 1 A 28.069 1 ATOM 2805 C C . GLY 355 355 ? A -69.386 25.905 -3.263 1.000 1 A 28.069 1 ATOM 2806 O O . GLY 355 355 ? A -68.938 26.557 -2.318 1.000 1 A 28.069 1 ATOM 2807 N N . SER 356 356 ? A -69.001 24.677 -3.375 1.000 1 A 36.789 1 ATOM 2808 C CA . SER 356 356 ? A -67.828 24.290 -4.153 1.000 1 A 36.789 1 ATOM 2809 C C . SER 356 356 ? A -67.132 23.081 -3.539 1.000 1 A 36.789 1 ATOM 2810 O O . SER 356 356 ? A -66.989 22.993 -2.318 1.000 1 A 36.789 1 ATOM 2811 C CB . SER 356 356 ? A -66.845 25.457 -4.257 1.000 1 A 36.789 1 ATOM 2812 O OG . SER 356 356 ? A -66.576 26.004 -2.978 1.000 1 A 36.789 1 ATOM 2813 N N . ASP 357 357 ? A -67.356 21.864 -4.131 1.000 1 A 34.447 1 ATOM 2814 C CA . ASP 357 357 ? A -66.451 21.147 -5.024 1.000 1 A 34.447 1 ATOM 2815 C C . ASP 357 357 ? A -65.681 20.064 -4.271 1.000 1 A 34.447 1 ATOM 2816 O O . ASP 357 357 ? A -65.123 20.321 -3.202 1.000 1 A 34.447 1 ATOM 2817 C CB . ASP 357 357 ? A -65.475 22.118 -5.692 1.000 1 A 34.447 1 ATOM 2818 C CG . ASP 357 357 ? A -65.975 22.633 -7.031 1.000 1 A 34.447 1 ATOM 2819 O OD1 . ASP 357 357 ? A -66.968 22.090 -7.561 1.000 1 A 34.447 1 ATOM 2820 O OD2 . ASP 357 357 ? A -65.367 23.588 -7.562 1.000 1 A 34.447 1 ATOM 2821 N N . VAL 358 358 ? A -66.033 18.759 -4.515 1.000 1 A 33.029 1 ATOM 2822 C CA . VAL 358 358 ? A -65.492 17.781 -5.453 1.000 1 A 33.029 1 ATOM 2823 C C . VAL 358 358 ? A -64.261 17.110 -4.848 1.000 1 A 33.029 1 ATOM 2824 O O . VAL 358 358 ? A -63.370 17.787 -4.329 1.000 1 A 33.029 1 ATOM 2825 C CB . VAL 358 358 ? A -65.133 18.431 -6.808 1.000 1 A 33.029 1 ATOM 2826 C CG1 . VAL 358 358 ? A -64.352 17.455 -7.686 1.000 1 A 33.029 1 ATOM 2827 C CG2 . VAL 358 358 ? A -66.397 18.905 -7.523 1.000 1 A 33.029 1 ATOM 2828 N N . SER 359 359 ? A -64.305 15.837 -4.525 1.000 1 A 32.748 1 ATOM 2829 C CA . SER 359 359 ? A -63.875 14.610 -5.187 1.000 1 A 32.748 1 ATOM 2830 C C . SER 359 359 ? A -62.395 14.337 -4.938 1.000 1 A 32.748 1 ATOM 2831 O O . SER 359 359 ? A -61.547 15.188 -5.212 1.000 1 A 32.748 1 ATOM 2832 C CB . SER 359 359 ? A -64.141 14.689 -6.691 1.000 1 A 32.748 1 ATOM 2833 O OG . SER 359 359 ? A -65.488 15.051 -6.945 1.000 1 A 32.748 1 ATOM 2834 N N . LEU 360 360 ? A -61.986 13.399 -4.110 1.000 1 A 36.306 1 ATOM 2835 C CA . LEU 360 360 ? A -61.098 12.351 -4.603 1.000 1 A 36.306 1 ATOM 2836 C C . LEU 360 360 ? A -61.341 11.040 -3.864 1.000 1 A 36.306 1 ATOM 2837 O O . LEU 360 360 ? A -61.191 10.974 -2.641 1.000 1 A 36.306 1 ATOM 2838 C CB . LEU 360 360 ? A -59.634 12.774 -4.450 1.000 1 A 36.306 1 ATOM 2839 C CG . LEU 360 360 ? A -59.124 13.824 -5.438 1.000 1 A 36.306 1 ATOM 2840 C CD1 . LEU 360 360 ? A -57.772 14.364 -4.986 1.000 1 A 36.306 1 ATOM 2841 C CD2 . LEU 360 360 ? A -59.029 13.236 -6.842 1.000 1 A 36.306 1 ATOM 2842 N N . THR 361 361 ? A -62.351 10.212 -4.236 1.000 1 A 33.079 1 ATOM 2843 C CA . THR 361 361 ? A -62.473 8.853 -4.754 1.000 1 A 33.079 1 ATOM 2844 C C . THR 361 361 ? A -61.167 8.401 -5.401 1.000 1 A 33.079 1 ATOM 2845 O O . THR 361 361 ? A -60.541 9.159 -6.143 1.000 1 A 33.079 1 ATOM 2846 C CB . THR 361 361 ? A -63.620 8.746 -5.776 1.000 1 A 33.079 1 ATOM 2847 O OG1 . THR 361 361 ? A -64.370 9.967 -5.774 1.000 1 A 33.079 1 ATOM 2848 C CG2 . THR 361 361 ? A -64.553 7.589 -5.437 1.000 1 A 33.079 1 ATOM 2849 N N . ALA 362 362 ? A -60.508 7.311 -4.938 1.000 1 A 33.829 1 ATOM 2850 C CA . ALA 362 362 ? A -60.346 6.025 -5.609 1.000 1 A 33.829 1 ATOM 2851 C C . ALA 362 362 ? A -59.013 5.378 -5.241 1.000 1 A 33.829 1 ATOM 2852 O O . ALA 362 362 ? A -57.961 6.015 -5.329 1.000 1 A 33.829 1 ATOM 2853 C CB . ALA 362 362 ? A -60.449 6.198 -7.123 1.000 1 A 33.829 1 ATOM 2854 N N . CYS 363 363 ? A -59.037 4.190 -4.589 1.000 1 A 34.985 1 ATOM 2855 C CA . CYS 363 363 ? A -58.614 2.913 -5.154 1.000 1 A 34.985 1 ATOM 2856 C C . CYS 363 363 ? A -58.734 1.795 -4.125 1.000 1 A 34.985 1 ATOM 2857 O O . CYS 363 363 ? A -58.269 1.936 -2.992 1.000 1 A 34.985 1 ATOM 2858 C CB . CYS 363 363 ? A -57.174 3.001 -5.660 1.000 1 A 34.985 1 ATOM 2859 S SG . CYS 363 363 ? A -57.043 3.380 -7.421 1.000 1 A 34.985 1 ATOM 2860 N N . LYS 364 364 ? A -59.874 1.053 -4.073 1.000 1 A 27.963 1 ATOM 2861 C CA . LYS 364 364 ? A -60.185 -0.353 -4.311 1.000 1 A 27.963 1 ATOM 2862 C C . LYS 364 364 ? A -59.161 -0.993 -5.245 1.000 1 A 27.963 1 ATOM 2863 O O . LYS 364 364 ? A -58.860 -0.449 -6.309 1.000 1 A 27.963 1 ATOM 2864 C CB . LYS 364 364 ? A -61.591 -0.501 -4.895 1.000 1 A 27.963 1 ATOM 2865 C CG . LYS 364 364 ? A -62.484 -1.460 -4.123 1.000 1 A 27.963 1 ATOM 2866 C CD . LYS 364 364 ? A -63.897 -1.489 -4.691 1.000 1 A 27.963 1 ATOM 2867 C CE . LYS 364 364 ? A -64.809 -2.399 -3.880 1.000 1 A 27.963 1 ATOM 2868 N NZ . LYS 364 364 ? A -66.216 -2.362 -4.380 1.000 1 A 27.963 1 ATOM 2869 N N . VAL 365 365 ? A -58.353 -1.853 -4.647 1.000 1 A 40.051 1 ATOM 2870 C CA . VAL 365 365 ? A -58.086 -3.283 -4.538 1.000 1 A 40.051 1 ATOM 2871 C C . VAL 365 365 ? A -57.330 -3.571 -3.243 1.000 1 A 40.051 1 ATOM 2872 O O . VAL 365 365 ? A -56.400 -2.844 -2.885 1.000 1 A 40.051 1 ATOM 2873 C CB . VAL 365 365 ? A -57.283 -3.805 -5.751 1.000 1 A 40.051 1 ATOM 2874 C CG1 . VAL 365 365 ? A -57.038 -5.308 -5.631 1.000 1 A 40.051 1 ATOM 2875 C CG2 . VAL 365 365 ? A -58.013 -3.481 -7.053 1.000 1 A 40.051 1 ATOM 2876 N N . MET 1 1 ? B 20.614 -50.606 13.903 1.000 2 B 55.880 1 ATOM 2877 C CA . MET 1 1 ? B 20.716 -49.906 12.625 1.000 2 B 55.880 1 ATOM 2878 C C . MET 1 1 ? B 19.422 -49.164 12.306 1.000 2 B 55.880 1 ATOM 2879 O O . MET 1 1 ? B 19.294 -48.562 11.239 1.000 2 B 55.880 1 ATOM 2880 C CB . MET 1 1 ? B 21.047 -50.888 11.499 1.000 2 B 55.880 1 ATOM 2881 C CG . MET 1 1 ? B 22.453 -51.460 11.579 1.000 2 B 55.880 1 ATOM 2882 S SD . MET 1 1 ? B 22.946 -52.330 10.040 1.000 2 B 55.880 1 ATOM 2883 C CE . MET 1 1 ? B 23.139 -50.914 8.921 1.000 2 B 55.880 1 ATOM 2884 N N . SER 2 2 ? B 18.684 -48.677 13.314 1.000 2 B 68.742 1 ATOM 2885 C CA . SER 2 2 ? B 17.341 -48.175 13.041 1.000 2 B 68.742 1 ATOM 2886 C C . SER 2 2 ? B 17.174 -46.743 13.541 1.000 2 B 68.742 1 ATOM 2887 O O . SER 2 2 ? B 16.391 -45.972 12.981 1.000 2 B 68.742 1 ATOM 2888 C CB . SER 2 2 ? B 16.289 -49.075 13.690 1.000 2 B 68.742 1 ATOM 2889 O OG . SER 2 2 ? B 15.638 -48.403 14.754 1.000 2 B 68.742 1 ATOM 2890 N N . ARG 3 3 ? B 18.143 -46.266 14.281 1.000 2 B 67.104 1 ATOM 2891 C CA . ARG 3 3 ? B 17.989 -44.903 14.779 1.000 2 B 67.104 1 ATOM 2892 C C . ARG 3 3 ? B 18.630 -43.898 13.828 1.000 2 B 67.104 1 ATOM 2893 O O . ARG 3 3 ? B 18.101 -42.803 13.625 1.000 2 B 67.104 1 ATOM 2894 C CB . ARG 3 3 ? B 18.601 -44.768 16.175 1.000 2 B 67.104 1 ATOM 2895 C CG . ARG 3 3 ? B 17.684 -45.229 17.297 1.000 2 B 67.104 1 ATOM 2896 C CD . ARG 3 3 ? B 18.267 -44.913 18.667 1.000 2 B 67.104 1 ATOM 2897 N NE . ARG 3 3 ? B 17.366 -45.319 19.742 1.000 2 B 67.104 1 ATOM 2898 C CZ . ARG 3 3 ? B 17.619 -45.169 21.040 1.000 2 B 67.104 1 ATOM 2899 N NH1 . ARG 3 3 ? B 18.755 -44.619 21.450 1.000 2 B 67.104 1 ATOM 2900 N NH2 . ARG 3 3 ? B 16.728 -45.573 21.934 1.000 2 B 67.104 1 ATOM 2901 N N . SER 4 4 ? B 19.661 -44.365 13.078 1.000 2 B 71.382 1 ATOM 2902 C CA . SER 4 4 ? B 20.376 -43.482 12.162 1.000 2 B 71.382 1 ATOM 2903 C C . SER 4 4 ? B 19.601 -43.288 10.863 1.000 2 B 71.382 1 ATOM 2904 O O . SER 4 4 ? B 19.573 -42.187 10.309 1.000 2 B 71.382 1 ATOM 2905 C CB . SER 4 4 ? B 21.767 -44.038 11.857 1.000 2 B 71.382 1 ATOM 2906 O OG . SER 4 4 ? B 22.376 -44.544 13.032 1.000 2 B 71.382 1 ATOM 2907 N N . VAL 5 5 ? B 18.799 -44.282 10.359 1.000 2 B 75.326 1 ATOM 2908 C CA . VAL 5 5 ? B 17.981 -44.203 9.154 1.000 2 B 75.326 1 ATOM 2909 C C . VAL 5 5 ? B 16.748 -43.344 9.421 1.000 2 B 75.326 1 ATOM 2910 O O . VAL 5 5 ? B 16.346 -42.543 8.573 1.000 2 B 75.326 1 ATOM 2911 C CB . VAL 5 5 ? B 17.557 -45.606 8.663 1.000 2 B 75.326 1 ATOM 2912 C CG1 . VAL 5 5 ? B 16.602 -45.496 7.476 1.000 2 B 75.326 1 ATOM 2913 C CG2 . VAL 5 5 ? B 18.786 -46.433 8.289 1.000 2 B 75.326 1 ATOM 2914 N N . ALA 6 6 ? B 16.190 -43.433 10.635 1.000 2 B 75.641 1 ATOM 2915 C CA . ALA 6 6 ? B 15.024 -42.643 11.020 1.000 2 B 75.641 1 ATOM 2916 C C . ALA 6 6 ? B 15.377 -41.162 11.130 1.000 2 B 75.641 1 ATOM 2917 O O . ALA 6 6 ? B 14.609 -40.300 10.696 1.000 2 B 75.641 1 ATOM 2918 C CB . ALA 6 6 ? B 14.450 -43.149 12.341 1.000 2 B 75.641 1 ATOM 2919 N N . LEU 7 7 ? B 16.623 -40.909 11.681 1.000 2 B 75.898 1 ATOM 2920 C CA . LEU 7 7 ? B 17.078 -39.528 11.805 1.000 2 B 75.898 1 ATOM 2921 C C . LEU 7 7 ? B 17.398 -38.937 10.436 1.000 2 B 75.898 1 ATOM 2922 O O . LEU 7 7 ? B 17.111 -37.766 10.178 1.000 2 B 75.898 1 ATOM 2923 C CB . LEU 7 7 ? B 18.310 -39.448 12.709 1.000 2 B 75.898 1 ATOM 2924 C CG . LEU 7 7 ? B 18.045 -39.395 14.214 1.000 2 B 75.898 1 ATOM 2925 C CD1 . LEU 7 7 ? B 19.253 -39.918 14.984 1.000 2 B 75.898 1 ATOM 2926 C CD2 . LEU 7 7 ? B 17.703 -37.973 14.647 1.000 2 B 75.898 1 ATOM 2927 N N . ALA 8 8 ? B 17.924 -39.793 9.545 1.000 2 B 75.357 1 ATOM 2928 C CA . ALA 8 8 ? B 18.223 -39.381 8.176 1.000 2 B 75.357 1 ATOM 2929 C C . ALA 8 8 ? B 16.941 -39.130 7.387 1.000 2 B 75.357 1 ATOM 2930 O O . ALA 8 8 ? B 16.848 -38.157 6.635 1.000 2 B 75.357 1 ATOM 2931 C CB . ALA 8 8 ? B 19.078 -40.435 7.477 1.000 2 B 75.357 1 ATOM 2932 N N . VAL 9 9 ? B 15.925 -39.988 7.569 1.000 2 B 73.732 1 ATOM 2933 C CA . VAL 9 9 ? B 14.633 -39.810 6.915 1.000 2 B 73.732 1 ATOM 2934 C C . VAL 9 9 ? B 13.937 -38.571 7.472 1.000 2 B 73.732 1 ATOM 2935 O O . VAL 9 9 ? B 13.365 -37.780 6.718 1.000 2 B 73.732 1 ATOM 2936 C CB . VAL 9 9 ? B 13.732 -41.053 7.091 1.000 2 B 73.732 1 ATOM 2937 C CG1 . VAL 9 9 ? B 12.321 -40.774 6.577 1.000 2 B 73.732 1 ATOM 2938 C CG2 . VAL 9 9 ? B 14.338 -42.257 6.373 1.000 2 B 73.732 1 ATOM 2939 N N . LEU 10 10 ? B 14.009 -38.344 8.856 1.000 2 B 68.577 1 ATOM 2940 C CA . LEU 10 10 ? B 13.422 -37.163 9.480 1.000 2 B 68.577 1 ATOM 2941 C C . LEU 10 10 ? B 14.152 -35.897 9.043 1.000 2 B 68.577 1 ATOM 2942 O O . LEU 10 10 ? B 13.523 -34.866 8.797 1.000 2 B 68.577 1 ATOM 2943 C CB . LEU 10 10 ? B 13.461 -37.287 11.005 1.000 2 B 68.577 1 ATOM 2944 C CG . LEU 10 10 ? B 12.118 -37.171 11.729 1.000 2 B 68.577 1 ATOM 2945 C CD1 . LEU 10 10 ? B 11.743 -38.504 12.368 1.000 2 B 68.577 1 ATOM 2946 C CD2 . LEU 10 10 ? B 12.171 -36.065 12.778 1.000 2 B 68.577 1 ATOM 2947 N N . ALA 11 11 ? B 15.507 -35.966 8.931 1.000 2 B 67.241 1 ATOM 2948 C CA . ALA 11 11 ? B 16.294 -34.863 8.385 1.000 2 B 67.241 1 ATOM 2949 C C . ALA 11 11 ? B 15.968 -34.632 6.912 1.000 2 B 67.241 1 ATOM 2950 O O . ALA 11 11 ? B 15.847 -33.488 6.469 1.000 2 B 67.241 1 ATOM 2951 C CB . ALA 11 11 ? B 17.786 -35.136 8.560 1.000 2 B 67.241 1 ATOM 2952 N N . LEU 12 12 ? B 15.733 -35.778 6.159 1.000 2 B 60.948 1 ATOM 2953 C CA . LEU 12 12 ? B 15.373 -35.669 4.749 1.000 2 B 60.948 1 ATOM 2954 C C . LEU 12 12 ? B 13.942 -35.165 4.591 1.000 2 B 60.948 1 ATOM 2955 O O . LEU 12 12 ? B 13.646 -34.402 3.669 1.000 2 B 60.948 1 ATOM 2956 C CB . LEU 12 12 ? B 15.530 -37.022 4.049 1.000 2 B 60.948 1 ATOM 2957 C CG . LEU 12 12 ? B 16.932 -37.365 3.545 1.000 2 B 60.948 1 ATOM 2958 C CD1 . LEU 12 12 ? B 17.165 -38.871 3.611 1.000 2 B 60.948 1 ATOM 2959 C CD2 . LEU 12 12 ? B 17.130 -36.850 2.123 1.000 2 B 60.948 1 ATOM 2960 N N . LEU 13 13 ? B 13.066 -35.521 5.595 1.000 2 B 55.823 1 ATOM 2961 C CA . LEU 13 13 ? B 11.686 -35.050 5.548 1.000 2 B 55.823 1 ATOM 2962 C C . LEU 13 13 ? B 11.588 -33.605 6.025 1.000 2 B 55.823 1 ATOM 2963 O O . LEU 13 13 ? B 10.704 -32.862 5.591 1.000 2 B 55.823 1 ATOM 2964 C CB . LEU 13 13 ? B 10.785 -35.945 6.402 1.000 2 B 55.823 1 ATOM 2965 C CG . LEU 13 13 ? B 10.482 -37.335 5.842 1.000 2 B 55.823 1 ATOM 2966 C CD1 . LEU 13 13 ? B 9.906 -38.233 6.932 1.000 2 B 55.823 1 ATOM 2967 C CD2 . LEU 13 13 ? B 9.523 -37.238 4.660 1.000 2 B 55.823 1 ATOM 2968 N N . SER 14 14 ? B 12.593 -33.150 6.932 1.000 2 B 53.047 1 ATOM 2969 C CA . SER 14 14 ? B 12.636 -31.747 7.332 1.000 2 B 53.047 1 ATOM 2970 C C . SER 14 14 ? B 13.284 -30.885 6.255 1.000 2 B 53.047 1 ATOM 2971 O O . SER 14 14 ? B 13.164 -29.658 6.279 1.000 2 B 53.047 1 ATOM 2972 C CB . SER 14 14 ? B 13.395 -31.588 8.650 1.000 2 B 53.047 1 ATOM 2973 O OG . SER 14 14 ? B 14.636 -32.271 8.601 1.000 2 B 53.047 1 ATOM 2974 N N . LEU 15 15 ? B 13.966 -31.643 5.215 1.000 2 B 48.415 1 ATOM 2975 C CA . LEU 15 15 ? B 14.483 -30.975 4.026 1.000 2 B 48.415 1 ATOM 2976 C C . LEU 15 15 ? B 13.373 -30.739 3.008 1.000 2 B 48.415 1 ATOM 2977 O O . LEU 15 15 ? B 13.629 -30.251 1.905 1.000 2 B 48.415 1 ATOM 2978 C CB . LEU 15 15 ? B 15.606 -31.800 3.392 1.000 2 B 48.415 1 ATOM 2979 C CG . LEU 15 15 ? B 17.030 -31.464 3.839 1.000 2 B 48.415 1 ATOM 2980 C CD1 . LEU 15 15 ? B 17.663 -32.662 4.539 1.000 2 B 48.415 1 ATOM 2981 C CD2 . LEU 15 15 ? B 17.875 -31.027 2.647 1.000 2 B 48.415 1 ATOM 2982 N N . SER 16 16 ? B 12.068 -31.056 3.341 1.000 2 B 47.402 1 ATOM 2983 C CA . SER 16 16 ? B 10.874 -30.856 2.526 1.000 2 B 47.402 1 ATOM 2984 C C . SER 16 16 ? B 10.574 -29.373 2.339 1.000 2 B 47.402 1 ATOM 2985 O O . SER 16 16 ? B 10.550 -28.612 3.309 1.000 2 B 47.402 1 ATOM 2986 C CB . SER 16 16 ? B 9.669 -31.553 3.160 1.000 2 B 47.402 1 ATOM 2987 O OG . SER 16 16 ? B 9.765 -31.535 4.574 1.000 2 B 47.402 1 ATOM 2988 N N . GLY 17 17 ? B 11.442 -28.539 1.634 1.000 2 B 49.495 1 ATOM 2989 C CA . GLY 17 17 ? B 11.118 -27.617 0.557 1.000 2 B 49.495 1 ATOM 2990 C C . GLY 17 17 ? B 10.777 -26.222 1.048 1.000 2 B 49.495 1 ATOM 2991 O O . GLY 17 17 ? B 10.070 -26.065 2.046 1.000 2 B 49.495 1 ATOM 2992 N N . LEU 18 18 ? B 11.779 -25.357 1.461 1.000 2 B 53.530 1 ATOM 2993 C CA . LEU 18 18 ? B 11.524 -23.926 1.588 1.000 2 B 53.530 1 ATOM 2994 C C . LEU 18 18 ? B 10.360 -23.500 0.699 1.000 2 B 53.530 1 ATOM 2995 O O . LEU 18 18 ? B 10.502 -23.427 -0.523 1.000 2 B 53.530 1 ATOM 2996 C CB . LEU 18 18 ? B 12.777 -23.124 1.227 1.000 2 B 53.530 1 ATOM 2997 C CG . LEU 18 18 ? B 13.592 -22.576 2.400 1.000 2 B 53.530 1 ATOM 2998 C CD1 . LEU 18 18 ? B 14.860 -23.400 2.596 1.000 2 B 53.530 1 ATOM 2999 C CD2 . LEU 18 18 ? B 13.933 -21.107 2.174 1.000 2 B 53.530 1 ATOM 3000 N N . GLU 19 19 ? B 9.258 -24.164 0.837 1.000 2 B 65.476 1 ATOM 3001 C CA . GLU 19 19 ? B 8.047 -23.767 0.125 1.000 2 B 65.476 1 ATOM 3002 C C . GLU 19 19 ? B 7.761 -22.280 0.309 1.000 2 B 65.476 1 ATOM 3003 O O . GLU 19 19 ? B 8.245 -21.662 1.259 1.000 2 B 65.476 1 ATOM 3004 C CB . GLU 19 19 ? B 6.849 -24.596 0.597 1.000 2 B 65.476 1 ATOM 3005 C CG . GLU 19 19 ? B 6.803 -25.999 0.011 1.000 2 B 65.476 1 ATOM 3006 C CD . GLU 19 19 ? B 5.652 -26.836 0.547 1.000 2 B 65.476 1 ATOM 3007 O OE1 . GLU 19 19 ? B 5.515 -28.012 0.140 1.000 2 B 65.476 1 ATOM 3008 O OE2 . GLU 19 19 ? B 4.880 -26.310 1.381 1.000 2 B 65.476 1 ATOM 3009 N N . ALA 20 20 ? B 7.434 -21.554 -0.834 1.000 2 B 74.666 1 ATOM 3010 C CA . ALA 20 20 ? B 6.977 -20.166 -0.842 1.000 2 B 74.666 1 ATOM 3011 C C . ALA 20 20 ? B 6.131 -19.861 0.391 1.000 2 B 74.666 1 ATOM 3012 O O . ALA 20 20 ? B 5.351 -20.704 0.840 1.000 2 B 74.666 1 ATOM 3013 C CB . ALA 20 20 ? B 6.185 -19.874 -2.113 1.000 2 B 74.666 1 ATOM 3014 N N . ILE 21 21 ? B 6.461 -18.752 1.134 1.000 2 B 87.474 1 ATOM 3015 C CA . ILE 21 21 ? B 5.647 -18.307 2.259 1.000 2 B 87.474 1 ATOM 3016 C C . ILE 21 21 ? B 4.208 -18.084 1.799 1.000 2 B 87.474 1 ATOM 3017 O O . ILE 21 21 ? B 3.973 -17.495 0.741 1.000 2 B 87.474 1 ATOM 3018 C CB . ILE 21 21 ? B 6.214 -17.016 2.892 1.000 2 B 87.474 1 ATOM 3019 C CG1 . ILE 21 21 ? B 7.568 -17.295 3.552 1.000 2 B 87.474 1 ATOM 3020 C CG2 . ILE 21 21 ? B 5.223 -16.429 3.901 1.000 2 B 87.474 1 ATOM 3021 C CD1 . ILE 21 21 ? B 8.269 -16.049 4.077 1.000 2 B 87.474 1 ATOM 3022 N N . GLN 22 22 ? B 3.395 -18.806 2.524 1.000 2 B 92.703 1 ATOM 3023 C CA . GLN 22 22 ? B 1.976 -18.556 2.288 1.000 2 B 92.703 1 ATOM 3024 C C . GLN 22 22 ? B 1.371 -17.718 3.411 1.000 2 B 92.703 1 ATOM 3025 O O . GLN 22 22 ? B 1.634 -17.966 4.589 1.000 2 B 92.703 1 ATOM 3026 C CB . GLN 22 22 ? B 1.215 -19.875 2.149 1.000 2 B 92.703 1 ATOM 3027 C CG . GLN 22 22 ? B 1.643 -20.709 0.949 1.000 2 B 92.703 1 ATOM 3028 C CD . GLN 22 22 ? B 0.814 -21.969 0.784 1.000 2 B 92.703 1 ATOM 3029 O OE1 . GLN 22 22 ? B -0.022 -22.294 1.633 1.000 2 B 92.703 1 ATOM 3030 N NE2 . GLN 22 22 ? B 1.039 -22.688 -0.310 1.000 2 B 92.703 1 ATOM 3031 N N . ARG 23 23 ? B 0.707 -16.705 2.988 1.000 2 B 95.935 1 ATOM 3032 C CA . ARG 23 23 ? B 0.029 -15.842 3.951 1.000 2 B 95.935 1 ATOM 3033 C C . ARG 23 23 ? B -1.447 -15.684 3.600 1.000 2 B 95.935 1 ATOM 3034 O O . ARG 23 23 ? B -1.792 -15.441 2.442 1.000 2 B 95.935 1 ATOM 3035 C CB . ARG 23 23 ? B 0.703 -14.470 4.011 1.000 2 B 95.935 1 ATOM 3036 C CG . ARG 23 23 ? B 2.148 -14.513 4.482 1.000 2 B 95.935 1 ATOM 3037 C CD . ARG 23 23 ? B 2.744 -13.118 4.602 1.000 2 B 95.935 1 ATOM 3038 N NE . ARG 23 23 ? B 4.099 -13.156 5.145 1.000 2 B 95.935 1 ATOM 3039 C CZ . ARG 23 23 ? B 4.808 -12.084 5.490 1.000 2 B 95.935 1 ATOM 3040 N NH1 . ARG 23 23 ? B 4.302 -10.864 5.354 1.000 2 B 95.935 1 ATOM 3041 N NH2 . ARG 23 23 ? B 6.032 -12.233 5.974 1.000 2 B 95.935 1 ATOM 3042 N N . THR 24 24 ? B -2.222 -15.885 4.603 1.000 2 B 97.491 1 ATOM 3043 C CA . THR 24 24 ? B -3.667 -15.781 4.430 1.000 2 B 97.491 1 ATOM 3044 C C . THR 24 24 ? B -4.095 -14.320 4.324 1.000 2 B 97.491 1 ATOM 3045 O O . THR 24 24 ? B -3.642 -13.477 5.102 1.000 2 B 97.491 1 ATOM 3046 C CB . THR 24 24 ? B -4.419 -16.456 5.591 1.000 2 B 97.491 1 ATOM 3047 O OG1 . THR 24 24 ? B -4.050 -17.839 5.652 1.000 2 B 97.491 1 ATOM 3048 C CG2 . THR 24 24 ? B -5.929 -16.353 5.402 1.000 2 B 97.491 1 ATOM 3049 N N . PRO 25 25 ? B -4.960 -13.992 3.355 1.000 2 B 97.737 1 ATOM 3050 C CA . PRO 25 25 ? B -5.396 -12.610 3.144 1.000 2 B 97.737 1 ATOM 3051 C C . PRO 25 25 ? B -6.200 -12.059 4.319 1.000 2 B 97.737 1 ATOM 3052 O O . PRO 25 25 ? B -6.934 -12.804 4.973 1.000 2 B 97.737 1 ATOM 3053 C CB . PRO 25 25 ? B -6.261 -12.702 1.885 1.000 2 B 97.737 1 ATOM 3054 C CG . PRO 25 25 ? B -6.738 -14.118 1.851 1.000 2 B 97.737 1 ATOM 3055 C CD . PRO 25 25 ? B -5.683 -14.991 2.469 1.000 2 B 97.737 1 ATOM 3056 N N . LYS 26 26 ? B -5.961 -10.791 4.587 1.000 2 B 96.910 1 ATOM 3057 C CA . LYS 26 26 ? B -6.839 -9.975 5.420 1.000 2 B 96.910 1 ATOM 3058 C C . LYS 26 26 ? B -7.821 -9.177 4.566 1.000 2 B 96.910 1 ATOM 3059 O O . LYS 26 26 ? B -7.419 -8.497 3.620 1.000 2 B 96.910 1 ATOM 3060 C CB . LYS 26 26 ? B -6.020 -9.029 6.298 1.000 2 B 96.910 1 ATOM 3061 C CG . LYS 26 26 ? B -5.054 -9.737 7.237 1.000 2 B 96.910 1 ATOM 3062 C CD . LYS 26 26 ? B -4.161 -8.745 7.972 1.000 2 B 96.910 1 ATOM 3063 C CE . LYS 26 26 ? B -3.104 -9.456 8.808 1.000 2 B 96.910 1 ATOM 3064 N NZ . LYS 26 26 ? B -2.165 -8.489 9.450 1.000 2 B 96.910 1 ATOM 3065 N N . ILE 27 27 ? B -9.137 -9.327 4.936 1.000 2 B 96.838 1 ATOM 3066 C CA . ILE 27 27 ? B -10.174 -8.765 4.077 1.000 2 B 96.838 1 ATOM 3067 C C . ILE 27 27 ? B -10.934 -7.676 4.831 1.000 2 B 96.838 1 ATOM 3068 O O . ILE 27 27 ? B -11.397 -7.896 5.953 1.000 2 B 96.838 1 ATOM 3069 C CB . ILE 27 27 ? B -11.150 -9.855 3.581 1.000 2 B 96.838 1 ATOM 3070 C CG1 . ILE 27 27 ? B -10.385 -10.967 2.855 1.000 2 B 96.838 1 ATOM 3071 C CG2 . ILE 27 27 ? B -12.225 -9.247 2.675 1.000 2 B 96.838 1 ATOM 3072 C CD1 . ILE 27 27 ? B -11.105 -12.309 2.844 1.000 2 B 96.838 1 ATOM 3073 N N . GLN 28 28 ? B -10.995 -6.614 4.194 1.000 2 B 95.550 1 ATOM 3074 C CA . GLN 28 28 ? B -11.792 -5.520 4.740 1.000 2 B 95.550 1 ATOM 3075 C C . GLN 28 28 ? B -12.783 -4.993 3.706 1.000 2 B 95.550 1 ATOM 3076 O O . GLN 28 28 ? B -12.393 -4.627 2.595 1.000 2 B 95.550 1 ATOM 3077 C CB . GLN 28 28 ? B -10.887 -4.387 5.226 1.000 2 B 95.550 1 ATOM 3078 C CG . GLN 28 28 ? B -9.939 -4.794 6.346 1.000 2 B 95.550 1 ATOM 3079 C CD . GLN 28 28 ? B -9.030 -3.662 6.786 1.000 2 B 95.550 1 ATOM 3080 O OE1 . GLN 28 28 ? B -9.499 -2.593 7.191 1.000 2 B 95.550 1 ATOM 3081 N NE2 . GLN 28 28 ? B -7.723 -3.887 6.709 1.000 2 B 95.550 1 ATOM 3082 N N . VAL 29 29 ? B -14.095 -4.921 4.162 1.000 2 B 96.675 1 ATOM 3083 C CA . VAL 29 29 ? B -15.148 -4.359 3.323 1.000 2 B 96.675 1 ATOM 3084 C C . VAL 29 29 ? B -15.712 -3.099 3.977 1.000 2 B 96.675 1 ATOM 3085 O O . VAL 29 29 ? B -16.212 -3.147 5.103 1.000 2 B 96.675 1 ATOM 3086 C CB . VAL 29 29 ? B -16.280 -5.381 3.072 1.000 2 B 96.675 1 ATOM 3087 C CG1 . VAL 29 29 ? B -17.252 -4.860 2.015 1.000 2 B 96.675 1 ATOM 3088 C CG2 . VAL 29 29 ? B -15.697 -6.728 2.649 1.000 2 B 96.675 1 ATOM 3089 N N . TYR 30 30 ? B -15.601 -2.008 3.205 1.000 2 B 95.418 1 ATOM 3090 C CA . TYR 30 30 ? B -15.997 -0.734 3.796 1.000 2 B 95.418 1 ATOM 3091 C C . TYR 30 30 ? B -16.456 0.245 2.722 1.000 2 B 95.418 1 ATOM 3092 O O . TYR 30 30 ? B -16.310 -0.021 1.527 1.000 2 B 95.418 1 ATOM 3093 C CB . TYR 30 30 ? B -14.839 -0.128 4.594 1.000 2 B 95.418 1 ATOM 3094 C CG . TYR 30 30 ? B -13.589 0.093 3.778 1.000 2 B 95.418 1 ATOM 3095 C CD1 . TYR 30 30 ? B -12.691 -0.947 3.547 1.000 2 B 95.418 1 ATOM 3096 C CD2 . TYR 30 30 ? B -13.302 1.341 3.236 1.000 2 B 95.418 1 ATOM 3097 C CE1 . TYR 30 30 ? B -11.536 -0.748 2.797 1.000 2 B 95.418 1 ATOM 3098 C CE2 . TYR 30 30 ? B -12.151 1.552 2.484 1.000 2 B 95.418 1 ATOM 3099 C CZ . TYR 30 30 ? B -11.276 0.503 2.270 1.000 2 B 95.418 1 ATOM 3100 O OH . TYR 30 30 ? B -10.134 0.706 1.527 1.000 2 B 95.418 1 ATOM 3101 N N . SER 31 31 ? B -17.151 1.301 3.207 1.000 2 B 94.720 1 ATOM 3102 C CA . SER 31 31 ? B -17.574 2.363 2.299 1.000 2 B 94.720 1 ATOM 3103 C C . SER 31 31 ? B -16.694 3.599 2.448 1.000 2 B 94.720 1 ATOM 3104 O O . SER 31 31 ? B -16.044 3.785 3.479 1.000 2 B 94.720 1 ATOM 3105 C CB . SER 31 31 ? B -19.036 2.734 2.551 1.000 2 B 94.720 1 ATOM 3106 O OG . SER 31 31 ? B -19.206 3.247 3.861 1.000 2 B 94.720 1 ATOM 3107 N N . ARG 32 32 ? B -16.682 4.369 1.397 1.000 2 B 93.020 1 ATOM 3108 C CA . ARG 32 32 ? B -15.886 5.592 1.384 1.000 2 B 93.020 1 ATOM 3109 C C . ARG 32 32 ? B -16.354 6.562 2.463 1.000 2 B 93.020 1 ATOM 3110 O O . ARG 32 32 ? B -15.543 7.089 3.227 1.000 2 B 93.020 1 ATOM 3111 C CB . ARG 32 32 ? B -15.953 6.263 0.011 1.000 2 B 93.020 1 ATOM 3112 C CG . ARG 32 32 ? B -15.119 7.530 -0.097 1.000 2 B 93.020 1 ATOM 3113 C CD . ARG 32 32 ? B -15.319 8.225 -1.437 1.000 2 B 93.020 1 ATOM 3114 N NE . ARG 32 32 ? B -14.900 7.378 -2.551 1.000 2 B 93.020 1 ATOM 3115 C CZ . ARG 32 32 ? B -15.033 7.696 -3.836 1.000 2 B 93.020 1 ATOM 3116 N NH1 . ARG 32 32 ? B -15.577 8.853 -4.195 1.000 2 B 93.020 1 ATOM 3117 N NH2 . ARG 32 32 ? B -14.618 6.851 -4.768 1.000 2 B 93.020 1 ATOM 3118 N N . HIS 33 33 ? B -17.668 6.777 2.454 1.000 2 B 90.284 1 ATOM 3119 C CA . HIS 33 33 ? B -18.336 7.625 3.436 1.000 2 B 90.284 1 ATOM 3120 C C . HIS 33 33 ? B -19.309 6.818 4.288 1.000 2 B 90.284 1 ATOM 3121 O O . HIS 33 33 ? B -19.695 5.707 3.916 1.000 2 B 90.284 1 ATOM 3122 C CB . HIS 33 33 ? B -19.072 8.771 2.741 1.000 2 B 90.284 1 ATOM 3123 C CG . HIS 33 33 ? B -18.203 9.577 1.828 1.000 2 B 90.284 1 ATOM 3124 N ND1 . HIS 33 33 ? B -17.150 10.340 2.285 1.000 2 B 90.284 1 ATOM 3125 C CD2 . HIS 33 33 ? B -18.230 9.734 0.484 1.000 2 B 90.284 1 ATOM 3126 C CE1 . HIS 33 33 ? B -16.567 10.935 1.258 1.000 2 B 90.284 1 ATOM 3127 N NE2 . HIS 33 33 ? B -17.203 10.584 0.154 1.000 2 B 90.284 1 ATOM 3128 N N . PRO 34 34 ? B -19.607 7.426 5.465 1.000 2 B 90.044 1 ATOM 3129 C CA . PRO 34 34 ? B -20.680 6.755 6.202 1.000 2 B 90.044 1 ATOM 3130 C C . PRO 34 34 ? B -21.912 6.492 5.340 1.000 2 B 90.044 1 ATOM 3131 O O . PRO 34 34 ? B -22.329 7.361 4.570 1.000 2 B 90.044 1 ATOM 3132 C CB . PRO 34 34 ? B -21.002 7.740 7.329 1.000 2 B 90.044 1 ATOM 3133 C CG . PRO 34 34 ? B -19.734 8.501 7.546 1.000 2 B 90.044 1 ATOM 3134 C CD . PRO 34 34 ? B -19.054 8.682 6.219 1.000 2 B 90.044 1 ATOM 3135 N N . ALA 35 35 ? B -22.426 5.294 5.438 1.000 2 B 90.446 1 ATOM 3136 C CA . ALA 35 35 ? B -23.521 4.837 4.585 1.000 2 B 90.446 1 ATOM 3137 C C . ALA 35 35 ? B -24.834 5.511 4.972 1.000 2 B 90.446 1 ATOM 3138 O O . ALA 35 35 ? B -25.197 5.549 6.150 1.000 2 B 90.446 1 ATOM 3139 C CB . ALA 35 35 ? B -23.661 3.319 4.667 1.000 2 B 90.446 1 ATOM 3140 N N . GLU 36 36 ? B -25.508 6.203 3.982 1.000 2 B 92.324 1 ATOM 3141 C CA . GLU 36 36 ? B -26.869 6.720 4.081 1.000 2 B 92.324 1 ATOM 3142 C C . GLU 36 36 ? B -27.758 6.151 2.979 1.000 2 B 92.324 1 ATOM 3143 O O . GLU 36 36 ? B -27.413 6.223 1.798 1.000 2 B 92.324 1 ATOM 3144 C CB . GLU 36 36 ? B -26.870 8.250 4.020 1.000 2 B 92.324 1 ATOM 3145 C CG . GLU 36 36 ? B -26.115 8.911 5.165 1.000 2 B 92.324 1 ATOM 3146 C CD . GLU 36 36 ? B -26.074 10.427 5.059 1.000 2 B 92.324 1 ATOM 3147 O OE1 . GLU 36 36 ? B -25.052 11.035 5.451 1.000 2 B 92.324 1 ATOM 3148 O OE2 . GLU 36 36 ? B -27.072 11.012 4.581 1.000 2 B 92.324 1 ATOM 3149 N N . ASN 37 37 ? B -28.884 5.644 3.423 1.000 2 B 93.193 1 ATOM 3150 C CA . ASN 37 37 ? B -29.807 5.079 2.445 1.000 2 B 93.193 1 ATOM 3151 C C . ASN 37 37 ? B -30.190 6.102 1.379 1.000 2 B 93.193 1 ATOM 3152 O O . ASN 37 37 ? B -30.537 7.240 1.700 1.000 2 B 93.193 1 ATOM 3153 C CB . ASN 37 37 ? B -31.061 4.541 3.138 1.000 2 B 93.193 1 ATOM 3154 C CG . ASN 37 37 ? B -30.787 3.292 3.953 1.000 2 B 93.193 1 ATOM 3155 O OD1 . ASN 37 37 ? B -29.828 2.562 3.689 1.000 2 B 93.193 1 ATOM 3156 N ND2 . ASN 37 37 ? B -31.626 3.039 4.950 1.000 2 B 93.193 1 ATOM 3157 N N . GLY 38 38 ? B -29.982 5.650 0.075 1.000 2 B 93.813 1 ATOM 3158 C CA . GLY 38 38 ? B -30.431 6.483 -1.029 1.000 2 B 93.813 1 ATOM 3159 C C . GLY 38 38 ? B -29.363 7.436 -1.530 1.000 2 B 93.813 1 ATOM 3160 O O . GLY 38 38 ? B -29.539 8.088 -2.561 1.000 2 B 93.813 1 ATOM 3161 N N . LYS 39 39 ? B -28.232 7.494 -0.757 1.000 2 B 95.336 1 ATOM 3162 C CA . LYS 39 39 ? B -27.148 8.388 -1.155 1.000 2 B 95.336 1 ATOM 3163 C C . LYS 39 39 ? B -25.992 7.609 -1.775 1.000 2 B 95.336 1 ATOM 3164 O O . LYS 39 39 ? B -25.548 6.601 -1.222 1.000 2 B 95.336 1 ATOM 3165 C CB . LYS 39 39 ? B -26.652 9.196 0.045 1.000 2 B 95.336 1 ATOM 3166 C CG . LYS 39 39 ? B -26.821 10.700 -0.109 1.000 2 B 95.336 1 ATOM 3167 C CD . LYS 39 39 ? B -26.213 11.454 1.067 1.000 2 B 95.336 1 ATOM 3168 C CE . LYS 39 39 ? B -26.337 12.962 0.890 1.000 2 B 95.336 1 ATOM 3169 N NZ . LYS 39 39 ? B -25.811 13.704 2.074 1.000 2 B 95.336 1 ATOM 3170 N N . SER 40 40 ? B -25.537 8.015 -2.943 1.000 2 B 94.953 1 ATOM 3171 C CA . SER 40 40 ? B -24.432 7.374 -3.648 1.000 2 B 94.953 1 ATOM 3172 C C . SER 40 40 ? B -23.184 7.304 -2.773 1.000 2 B 94.953 1 ATOM 3173 O O . SER 40 40 ? B -22.900 8.233 -2.014 1.000 2 B 94.953 1 ATOM 3174 C CB . SER 40 40 ? B -24.115 8.123 -4.943 1.000 2 B 94.953 1 ATOM 3175 O OG . SER 40 40 ? B -23.062 7.487 -5.647 1.000 2 B 94.953 1 ATOM 3176 N N . ASN 41 41 ? B -22.503 6.173 -2.953 1.000 2 B 94.396 1 ATOM 3177 C CA . ASN 41 41 ? B -21.272 5.909 -2.215 1.000 2 B 94.396 1 ATOM 3178 C C . ASN 41 41 ? B -20.355 4.956 -2.976 1.000 2 B 94.396 1 ATOM 3179 O O . ASN 41 41 ? B -20.597 4.658 -4.147 1.000 2 B 94.396 1 ATOM 3180 C CB . ASN 41 41 ? B -21.589 5.346 -0.827 1.000 2 B 94.396 1 ATOM 3181 C CG . ASN 41 41 ? B -20.557 5.738 0.212 1.000 2 B 94.396 1 ATOM 3182 O OD1 . ASN 41 41 ? B -19.396 5.996 -0.116 1.000 2 B 94.396 1 ATOM 3183 N ND2 . ASN 41 41 ? B -20.974 5.788 1.471 1.000 2 B 94.396 1 ATOM 3184 N N . PHE 42 42 ? B -19.177 4.562 -2.362 1.000 2 B 95.086 1 ATOM 3185 C CA . PHE 42 42 ? B -18.270 3.578 -2.940 1.000 2 B 95.086 1 ATOM 3186 C C . PHE 42 42 ? B -18.051 2.414 -1.981 1.000 2 B 95.086 1 ATOM 3187 O O . PHE 42 42 ? B -17.738 2.621 -0.806 1.000 2 B 95.086 1 ATOM 3188 C CB . PHE 42 42 ? B -16.927 4.225 -3.295 1.000 2 B 95.086 1 ATOM 3189 C CG . PHE 42 42 ? B -16.951 5.003 -4.583 1.000 2 B 95.086 1 ATOM 3190 C CD1 . PHE 42 42 ? B -16.532 4.419 -5.772 1.000 2 B 95.086 1 ATOM 3191 C CD2 . PHE 42 42 ? B -17.391 6.320 -4.604 1.000 2 B 95.086 1 ATOM 3192 C CE1 . PHE 42 42 ? B -16.552 5.137 -6.965 1.000 2 B 95.086 1 ATOM 3193 C CE2 . PHE 42 42 ? B -17.414 7.044 -5.792 1.000 2 B 95.086 1 ATOM 3194 C CZ . PHE 42 42 ? B -16.994 6.451 -6.972 1.000 2 B 95.086 1 ATOM 3195 N N . LEU 43 43 ? B -18.228 1.254 -2.507 1.000 2 B 96.231 1 ATOM 3196 C CA . LEU 43 43 ? B -17.928 0.027 -1.777 1.000 2 B 96.231 1 ATOM 3197 C C . LEU 43 43 ? B -16.506 -0.443 -2.066 1.000 2 B 96.231 1 ATOM 3198 O O . LEU 43 43 ? B -16.120 -0.587 -3.228 1.000 2 B 96.231 1 ATOM 3199 C CB . LEU 43 43 ? B -18.926 -1.073 -2.146 1.000 2 B 96.231 1 ATOM 3200 C CG . LEU 43 43 ? B -18.781 -2.399 -1.398 1.000 2 B 96.231 1 ATOM 3201 C CD1 . LEU 43 43 ? B -19.159 -2.225 0.069 1.000 2 B 96.231 1 ATOM 3202 C CD2 . LEU 43 43 ? B -19.637 -3.479 -2.051 1.000 2 B 96.231 1 ATOM 3203 N N . ASN 44 44 ? B -15.779 -0.640 -0.959 1.000 2 B 96.949 1 ATOM 3204 C CA . ASN 44 44 ? B -14.380 -1.036 -1.081 1.000 2 B 96.949 1 ATOM 3205 C C . ASN 44 44 ? B -14.139 -2.426 -0.500 1.000 2 B 96.949 1 ATOM 3206 O O . ASN 44 44 ? B -14.660 -2.757 0.567 1.000 2 B 96.949 1 ATOM 3207 C CB . ASN 44 44 ? B -13.471 -0.011 -0.401 1.000 2 B 96.949 1 ATOM 3208 C CG . ASN 44 44 ? B -13.575 1.367 -1.025 1.000 2 B 96.949 1 ATOM 3209 O OD1 . ASN 44 44 ? B -13.269 1.552 -2.206 1.000 2 B 96.949 1 ATOM 3210 N ND2 . ASN 44 44 ? B -14.009 2.343 -0.237 1.000 2 B 96.949 1 ATOM 3211 N N . CYS 45 45 ? B -13.385 -3.234 -1.199 1.000 2 B 97.503 1 ATOM 3212 C CA . CYS 45 45 ? B -12.824 -4.492 -0.720 1.000 2 B 97.503 1 ATOM 3213 C C . CYS 45 45 ? B -11.302 -4.467 -0.775 1.000 2 B 97.503 1 ATOM 3214 O O . CYS 45 45 ? B -10.713 -4.556 -1.854 1.000 2 B 97.503 1 ATOM 3215 C CB . CYS 45 45 ? B -13.354 -5.664 -1.546 1.000 2 B 97.503 1 ATOM 3216 S SG . CYS 45 45 ? B -12.753 -7.275 -0.994 1.000 2 B 97.503 1 ATOM 3217 N N . TYR 46 46 ? B -10.759 -4.284 0.464 1.000 2 B 97.040 1 ATOM 3218 C CA . TYR 46 46 ? B -9.306 -4.221 0.583 1.000 2 B 97.040 1 ATOM 3219 C C . TYR 46 46 ? B -8.741 -5.553 1.061 1.000 2 B 97.040 1 ATOM 3220 O O . TYR 46 46 ? B -9.054 -6.008 2.164 1.000 2 B 97.040 1 ATOM 3221 C CB . TYR 46 46 ? B -8.893 -3.104 1.545 1.000 2 B 97.040 1 ATOM 3222 C CG . TYR 46 46 ? B -7.402 -2.878 1.609 1.000 2 B 97.040 1 ATOM 3223 C CD1 . TYR 46 46 ? B -6.734 -2.848 2.832 1.000 2 B 97.040 1 ATOM 3224 C CD2 . TYR 46 46 ? B -6.658 -2.694 0.449 1.000 2 B 97.040 1 ATOM 3225 C CE1 . TYR 46 46 ? B -5.361 -2.638 2.896 1.000 2 B 97.040 1 ATOM 3226 C CE2 . TYR 46 46 ? B -5.284 -2.484 0.501 1.000 2 B 97.040 1 ATOM 3227 C CZ . TYR 46 46 ? B -4.645 -2.458 1.727 1.000 2 B 97.040 1 ATOM 3228 O OH . TYR 46 46 ? B -3.285 -2.250 1.785 1.000 2 B 97.040 1 ATOM 3229 N N . VAL 47 47 ? B -7.974 -6.191 0.209 1.000 2 B 97.695 1 ATOM 3230 C CA . VAL 47 47 ? B -7.345 -7.474 0.505 1.000 2 B 97.695 1 ATOM 3231 C C . VAL 47 47 ? B -5.837 -7.286 0.658 1.000 2 B 97.695 1 ATOM 3232 O O . VAL 47 47 ? B -5.166 -6.824 -0.267 1.000 2 B 97.695 1 ATOM 3233 C CB . VAL 47 47 ? B -7.643 -8.519 -0.593 1.000 2 B 97.695 1 ATOM 3234 C CG1 . VAL 47 47 ? B -7.120 -9.895 -0.185 1.000 2 B 97.695 1 ATOM 3235 C CG2 . VAL 47 47 ? B -9.143 -8.578 -0.879 1.000 2 B 97.695 1 ATOM 3236 N N . SER 48 48 ? B -5.345 -7.668 1.838 1.000 2 B 97.095 1 ATOM 3237 C CA . SER 48 48 ? B -3.935 -7.407 2.110 1.000 2 B 97.095 1 ATOM 3238 C C . SER 48 48 ? B -3.291 -8.570 2.856 1.000 2 B 97.095 1 ATOM 3239 O O . SER 48 48 ? B -3.981 -9.498 3.284 1.000 2 B 97.095 1 ATOM 3240 C CB . SER 48 48 ? B -3.775 -6.119 2.920 1.000 2 B 97.095 1 ATOM 3241 O OG . SER 48 48 ? B -4.399 -6.241 4.187 1.000 2 B 97.095 1 ATOM 3242 N N . GLY 49 49 ? B -1.953 -8.569 2.831 1.000 2 B 96.416 1 ATOM 3243 C CA . GLY 49 49 ? B -1.175 -9.464 3.673 1.000 2 B 96.416 1 ATOM 3244 C C . GLY 49 49 ? B -1.132 -10.887 3.151 1.000 2 B 96.416 1 ATOM 3245 O O . GLY 49 49 ? B -0.997 -11.835 3.928 1.000 2 B 96.416 1 ATOM 3246 N N . PHE 50 50 ? B -1.363 -10.998 1.832 1.000 2 B 96.975 1 ATOM 3247 C CA . PHE 50 50 ? B -1.451 -12.370 1.347 1.000 2 B 96.975 1 ATOM 3248 C C . PHE 50 50 ? B -0.258 -12.709 0.462 1.000 2 B 96.975 1 ATOM 3249 O O . PHE 50 50 ? B 0.399 -11.814 -0.073 1.000 2 B 96.975 1 ATOM 3250 C CB . PHE 50 50 ? B -2.756 -12.586 0.574 1.000 2 B 96.975 1 ATOM 3251 C CG . PHE 50 50 ? B -2.893 -11.710 -0.642 1.000 2 B 96.975 1 ATOM 3252 C CD1 . PHE 50 50 ? B -3.419 -10.428 -0.536 1.000 2 B 96.975 1 ATOM 3253 C CD2 . PHE 50 50 ? B -2.496 -12.168 -1.891 1.000 2 B 96.975 1 ATOM 3254 C CE1 . PHE 50 50 ? B -3.547 -9.614 -1.660 1.000 2 B 96.975 1 ATOM 3255 C CE2 . PHE 50 50 ? B -2.621 -11.361 -3.018 1.000 2 B 96.975 1 ATOM 3256 C CZ . PHE 50 50 ? B -3.147 -10.085 -2.901 1.000 2 B 96.975 1 ATOM 3257 N N . HIS 51 51 ? B 0.046 -13.920 0.360 1.000 2 B 96.073 1 ATOM 3258 C CA . HIS 51 51 ? B 1.052 -14.574 -0.468 1.000 2 B 96.073 1 ATOM 3259 C C . HIS 51 51 ? B 0.719 -16.047 -0.681 1.000 2 B 96.073 1 ATOM 3260 O O . HIS 51 51 ? B 0.409 -16.762 0.275 1.000 2 B 96.073 1 ATOM 3261 C CB . HIS 51 51 ? B 2.439 -14.435 0.164 1.000 2 B 96.073 1 ATOM 3262 C CG . HIS 51 51 ? B 3.560 -14.755 -0.773 1.000 2 B 96.073 1 ATOM 3263 N ND1 . HIS 51 51 ? B 3.856 -16.042 -1.168 1.000 2 B 96.073 1 ATOM 3264 C CD2 . HIS 51 51 ? B 4.455 -13.952 -1.395 1.000 2 B 96.073 1 ATOM 3265 C CE1 . HIS 51 51 ? B 4.888 -16.016 -1.994 1.000 2 B 96.073 1 ATOM 3266 N NE2 . HIS 51 51 ? B 5.270 -14.760 -2.149 1.000 2 B 96.073 1 ATOM 3267 N N . PRO 52 52 ? B 0.916 -16.462 -2.051 1.000 2 B 93.070 1 ATOM 3268 C CA . PRO 52 52 ? B 1.341 -15.828 -3.301 1.000 2 B 93.070 1 ATOM 3269 C C . PRO 52 52 ? B 0.296 -14.865 -3.858 1.000 2 B 93.070 1 ATOM 3270 O O . PRO 52 52 ? B -0.775 -14.700 -3.268 1.000 2 B 93.070 1 ATOM 3271 C CB . PRO 52 52 ? B 1.549 -17.015 -4.245 1.000 2 B 93.070 1 ATOM 3272 C CG . PRO 52 52 ? B 0.543 -18.031 -3.809 1.000 2 B 93.070 1 ATOM 3273 C CD . PRO 52 52 ? B 0.369 -17.922 -2.321 1.000 2 B 93.070 1 ATOM 3274 N N . SER 53 53 ? B 0.564 -14.181 -4.948 1.000 2 B 93.740 1 ATOM 3275 C CA . SER 53 53 ? B -0.201 -13.065 -5.494 1.000 2 B 93.740 1 ATOM 3276 C C . SER 53 53 ? B -1.481 -13.549 -6.167 1.000 2 B 93.740 1 ATOM 3277 O O . SER 53 53 ? B -2.430 -12.780 -6.335 1.000 2 B 93.740 1 ATOM 3278 C CB . SER 53 53 ? B 0.643 -12.275 -6.494 1.000 2 B 93.740 1 ATOM 3279 O OG . SER 53 53 ? B 1.055 -13.101 -7.569 1.000 2 B 93.740 1 ATOM 3280 N N . ASP 54 54 ? B -1.528 -14.876 -6.610 1.000 2 B 92.443 1 ATOM 3281 C CA . ASP 54 54 ? B -2.728 -15.375 -7.276 1.000 2 B 92.443 1 ATOM 3282 C C . ASP 54 54 ? B -3.928 -15.356 -6.332 1.000 2 B 92.443 1 ATOM 3283 O O . ASP 54 54 ? B -3.924 -16.032 -5.301 1.000 2 B 92.443 1 ATOM 3284 C CB . ASP 54 54 ? B -2.498 -16.791 -7.807 1.000 2 B 92.443 1 ATOM 3285 C CG . ASP 54 54 ? B -1.509 -16.840 -8.957 1.000 2 B 92.443 1 ATOM 3286 O OD1 . ASP 54 54 ? B -1.141 -15.772 -9.492 1.000 2 B 92.443 1 ATOM 3287 O OD2 . ASP 54 54 ? B -1.094 -17.958 -9.335 1.000 2 B 92.443 1 ATOM 3288 N N . ILE 55 55 ? B -4.889 -14.580 -6.687 1.000 2 B 95.681 1 ATOM 3289 C CA . ILE 55 55 ? B -6.049 -14.404 -5.821 1.000 2 B 95.681 1 ATOM 3290 C C . ILE 55 55 ? B -7.268 -14.030 -6.660 1.000 2 B 95.681 1 ATOM 3291 O O . ILE 55 55 ? B -7.136 -13.392 -7.708 1.000 2 B 95.681 1 ATOM 3292 C CB . ILE 55 55 ? B -5.791 -13.330 -4.741 1.000 2 B 95.681 1 ATOM 3293 C CG1 . ILE 55 55 ? B -6.919 -13.333 -3.703 1.000 2 B 95.681 1 ATOM 3294 C CG2 . ILE 55 55 ? B -5.640 -11.946 -5.382 1.000 2 B 95.681 1 ATOM 3295 C CD1 . ILE 55 55 ? B -6.614 -12.518 -2.454 1.000 2 B 95.681 1 ATOM 3296 N N . GLU 56 56 ? B -8.411 -14.574 -6.285 1.000 2 B 96.962 1 ATOM 3297 C CA . GLU 56 56 ? B -9.685 -14.215 -6.900 1.000 2 B 96.962 1 ATOM 3298 C C . GLU 56 56 ? B -10.553 -13.407 -5.939 1.000 2 B 96.962 1 ATOM 3299 O O . GLU 56 56 ? B -10.832 -13.852 -4.823 1.000 2 B 96.962 1 ATOM 3300 C CB . GLU 56 56 ? B -10.434 -15.469 -7.358 1.000 2 B 96.962 1 ATOM 3301 C CG . GLU 56 56 ? B -11.697 -15.175 -8.155 1.000 2 B 96.962 1 ATOM 3302 C CD . GLU 56 56 ? B -12.414 -16.429 -8.628 1.000 2 B 96.962 1 ATOM 3303 O OE1 . GLU 56 56 ? B -13.488 -16.313 -9.260 1.000 2 B 96.962 1 ATOM 3304 O OE2 . GLU 56 56 ? B -11.898 -17.538 -8.362 1.000 2 B 96.962 1 ATOM 3305 N N . VAL 57 57 ? B -10.971 -12.184 -6.408 1.000 2 B 98.168 1 ATOM 3306 C CA . VAL 57 57 ? B -11.756 -11.290 -5.565 1.000 2 B 98.168 1 ATOM 3307 C C . VAL 57 57 ? B -13.005 -10.833 -6.316 1.000 2 B 98.168 1 ATOM 3308 O O . VAL 57 57 ? B -12.918 -10.386 -7.463 1.000 2 B 98.168 1 ATOM 3309 C CB . VAL 57 57 ? B -10.930 -10.065 -5.111 1.000 2 B 98.168 1 ATOM 3310 C CG1 . VAL 57 57 ? B -11.746 -9.180 -4.171 1.000 2 B 98.168 1 ATOM 3311 C CG2 . VAL 57 57 ? B -9.636 -10.516 -4.436 1.000 2 B 98.168 1 ATOM 3312 N N . ASP 58 58 ? B -14.171 -10.965 -5.633 1.000 2 B 98.111 1 ATOM 3313 C CA . ASP 58 58 ? B -15.435 -10.510 -6.205 1.000 2 B 98.111 1 ATOM 3314 C C . ASP 58 58 ? B -16.208 -9.646 -5.212 1.000 2 B 98.111 1 ATOM 3315 O O . ASP 58 58 ? B -16.299 -9.980 -4.029 1.000 2 B 98.111 1 ATOM 3316 C CB . ASP 58 58 ? B -16.288 -11.704 -6.638 1.000 2 B 98.111 1 ATOM 3317 C CG . ASP 58 58 ? B -15.685 -12.474 -7.800 1.000 2 B 98.111 1 ATOM 3318 O OD1 . ASP 58 58 ? B -15.086 -11.848 -8.701 1.000 2 B 98.111 1 ATOM 3319 O OD2 . ASP 58 58 ? B -15.812 -13.717 -7.816 1.000 2 B 98.111 1 ATOM 3320 N N . LEU 59 59 ? B -16.687 -8.516 -5.725 1.000 2 B 98.348 1 ATOM 3321 C CA . LEU 59 59 ? B -17.698 -7.782 -4.972 1.000 2 B 98.348 1 ATOM 3322 C C . LEU 59 59 ? B -19.096 -8.301 -5.291 1.000 2 B 98.348 1 ATOM 3323 O O . LEU 59 59 ? B -19.427 -8.530 -6.456 1.000 2 B 98.348 1 ATOM 3324 C CB . LEU 59 59 ? B -17.614 -6.285 -5.280 1.000 2 B 98.348 1 ATOM 3325 C CG . LEU 59 59 ? B -16.445 -5.527 -4.649 1.000 2 B 98.348 1 ATOM 3326 C CD1 . LEU 59 59 ? B -16.321 -4.137 -5.264 1.000 2 B 98.348 1 ATOM 3327 C CD2 . LEU 59 59 ? B -16.621 -5.435 -3.137 1.000 2 B 98.348 1 ATOM 3328 N N . LEU 60 60 ? B -19.910 -8.529 -4.154 1.000 2 B 98.222 1 ATOM 3329 C CA . LEU 60 60 ? B -21.215 -9.163 -4.311 1.000 2 B 98.222 1 ATOM 3330 C C . LEU 60 60 ? B -22.331 -8.230 -3.853 1.000 2 B 98.222 1 ATOM 3331 O O . LEU 60 60 ? B -22.156 -7.465 -2.902 1.000 2 B 98.222 1 ATOM 3332 C CB . LEU 60 60 ? B -21.273 -10.473 -3.521 1.000 2 B 98.222 1 ATOM 3333 C CG . LEU 60 60 ? B -20.125 -11.456 -3.755 1.000 2 B 98.222 1 ATOM 3334 C CD1 . LEU 60 60 ? B -20.230 -12.633 -2.790 1.000 2 B 98.222 1 ATOM 3335 C CD2 . LEU 60 60 ? B -20.121 -11.942 -5.200 1.000 2 B 98.222 1 ATOM 3336 N N . LYS 61 61 ? B -23.454 -8.242 -4.584 1.000 2 B 97.489 1 ATOM 3337 C CA . LYS 61 61 ? B -24.734 -7.667 -4.178 1.000 2 B 97.489 1 ATOM 3338 C C . LYS 61 61 ? B -25.818 -8.738 -4.102 1.000 2 B 97.489 1 ATOM 3339 O O . LYS 61 61 ? B -26.134 -9.381 -5.105 1.000 2 B 97.489 1 ATOM 3340 C CB . LYS 61 61 ? B -25.156 -6.561 -5.146 1.000 2 B 97.489 1 ATOM 3341 C CG . LYS 61 61 ? B -26.458 -5.870 -4.767 1.000 2 B 97.489 1 ATOM 3342 C CD . LYS 61 61 ? B -26.851 -4.816 -5.793 1.000 2 B 97.489 1 ATOM 3343 C CE . LYS 61 61 ? B -28.151 -4.120 -5.412 1.000 2 B 97.489 1 ATOM 3344 N NZ . LYS 61 61 ? B -28.536 -3.079 -6.411 1.000 2 B 97.489 1 ATOM 3345 N N . ASN 62 62 ? B -26.313 -8.995 -2.888 1.000 2 B 96.524 1 ATOM 3346 C CA . ASN 62 62 ? B -27.340 -10.009 -2.670 1.000 2 B 96.524 1 ATOM 3347 C C . ASN 62 62 ? B -26.917 -11.365 -3.228 1.000 2 B 96.524 1 ATOM 3348 O O . ASN 62 62 ? B -27.711 -12.048 -3.877 1.000 2 B 96.524 1 ATOM 3349 C CB . ASN 62 62 ? B -28.668 -9.570 -3.290 1.000 2 B 96.524 1 ATOM 3350 C CG . ASN 62 62 ? B -29.180 -8.266 -2.710 1.000 2 B 96.524 1 ATOM 3351 O OD1 . ASN 62 62 ? B -29.066 -8.020 -1.507 1.000 2 B 96.524 1 ATOM 3352 N ND2 . ASN 62 62 ? B -29.748 -7.421 -3.563 1.000 2 B 96.524 1 ATOM 3353 N N . GLY 63 63 ? B -25.600 -11.625 -3.091 1.000 2 B 96.173 1 ATOM 3354 C CA . GLY 63 63 ? B -25.082 -12.937 -3.447 1.000 2 B 96.173 1 ATOM 3355 C C . GLY 63 63 ? B -24.622 -13.025 -4.890 1.000 2 B 96.173 1 ATOM 3356 O O . GLY 63 63 ? B -24.013 -14.018 -5.293 1.000 2 B 96.173 1 ATOM 3357 N N . GLU 64 64 ? B -24.886 -11.981 -5.692 1.000 2 B 97.556 1 ATOM 3358 C CA . GLU 64 64 ? B -24.515 -11.980 -7.104 1.000 2 B 97.556 1 ATOM 3359 C C . GLU 64 64 ? B -23.312 -11.076 -7.357 1.000 2 B 97.556 1 ATOM 3360 O O . GLU 64 64 ? B -23.235 -9.970 -6.818 1.000 2 B 97.556 1 ATOM 3361 C CB . GLU 64 64 ? B -25.697 -11.537 -7.970 1.000 2 B 97.556 1 ATOM 3362 C CG . GLU 64 64 ? B -26.868 -12.510 -7.956 1.000 2 B 97.556 1 ATOM 3363 C CD . GLU 64 64 ? B -27.994 -12.106 -8.894 1.000 2 B 97.556 1 ATOM 3364 O OE1 . GLU 64 64 ? B -28.983 -12.864 -9.017 1.000 2 B 97.556 1 ATOM 3365 O OE2 . GLU 64 64 ? B -27.887 -11.022 -9.510 1.000 2 B 97.556 1 ATOM 3366 N N . ARG 65 65 ? B -22.450 -11.500 -8.234 1.000 2 B 97.439 1 ATOM 3367 C CA . ARG 65 65 ? B -21.255 -10.755 -8.615 1.000 2 B 97.439 1 ATOM 3368 C C . ARG 65 65 ? B -21.622 -9.435 -9.285 1.000 2 B 97.439 1 ATOM 3369 O O . ARG 65 65 ? B -22.485 -9.399 -10.165 1.000 2 B 97.439 1 ATOM 3370 C CB . ARG 65 65 ? B -20.376 -11.590 -9.550 1.000 2 B 97.439 1 ATOM 3371 C CG . ARG 65 65 ? B -19.073 -10.911 -9.940 1.000 2 B 97.439 1 ATOM 3372 C CD . ARG 65 65 ? B -18.221 -11.798 -10.837 1.000 2 B 97.439 1 ATOM 3373 N NE . ARG 65 65 ? B -17.071 -11.076 -11.373 1.000 2 B 97.439 1 ATOM 3374 C CZ . ARG 65 65 ? B -15.947 -11.648 -11.796 1.000 2 B 97.439 1 ATOM 3375 N NH1 . ARG 65 65 ? B -15.799 -12.968 -11.752 1.000 2 B 97.439 1 ATOM 3376 N NH2 . ARG 65 65 ? B -14.962 -10.896 -12.266 1.000 2 B 97.439 1 ATOM 3377 N N . ILE 66 66 ? B -20.987 -8.347 -8.793 1.000 2 B 97.292 1 ATOM 3378 C CA . ILE 66 66 ? B -21.096 -7.041 -9.434 1.000 2 B 97.292 1 ATOM 3379 C C . ILE 66 66 ? B -20.152 -6.974 -10.632 1.000 2 B 97.292 1 ATOM 3380 O O . ILE 66 66 ? B -18.964 -7.281 -10.513 1.000 2 B 97.292 1 ATOM 3381 C CB . ILE 66 66 ? B -20.784 -5.897 -8.442 1.000 2 B 97.292 1 ATOM 3382 C CG1 . ILE 66 66 ? B -21.756 -5.939 -7.257 1.000 2 B 97.292 1 ATOM 3383 C CG2 . ILE 66 66 ? B -20.840 -4.540 -9.149 1.000 2 B 97.292 1 ATOM 3384 C CD1 . ILE 66 66 ? B -21.409 -4.967 -6.138 1.000 2 B 97.292 1 ATOM 3385 N N . GLU 67 67 ? B -20.570 -6.572 -11.798 1.000 2 B 93.397 1 ATOM 3386 C CA . GLU 67 67 ? B -19.774 -6.627 -13.020 1.000 2 B 93.397 1 ATOM 3387 C C . GLU 67 67 ? B -18.867 -5.407 -13.144 1.000 2 B 93.397 1 ATOM 3388 O O . GLU 67 67 ? B -17.687 -5.535 -13.480 1.000 2 B 93.397 1 ATOM 3389 C CB . GLU 67 67 ? B -20.681 -6.735 -14.249 1.000 2 B 93.397 1 ATOM 3390 C CG . GLU 67 67 ? B -21.417 -8.063 -14.355 1.000 2 B 93.397 1 ATOM 3391 C CD . GLU 67 67 ? B -22.200 -8.213 -15.650 1.000 2 B 93.397 1 ATOM 3392 O OE1 . GLU 67 67 ? B -22.745 -9.310 -15.906 1.000 2 B 93.397 1 ATOM 3393 O OE2 . GLU 67 67 ? B -22.268 -7.225 -16.415 1.000 2 B 93.397 1 ATOM 3394 N N . LYS 68 68 ? B -19.304 -4.268 -12.868 1.000 2 B 93.904 1 ATOM 3395 C CA . LYS 68 68 ? B -18.524 -3.050 -13.070 1.000 2 B 93.904 1 ATOM 3396 C C . LYS 68 68 ? B -17.696 -2.717 -11.832 1.000 2 B 93.904 1 ATOM 3397 O O . LYS 68 68 ? B -18.087 -1.869 -11.027 1.000 2 B 93.904 1 ATOM 3398 C CB . LYS 68 68 ? B -19.441 -1.877 -13.419 1.000 2 B 93.904 1 ATOM 3399 C CG . LYS 68 68 ? B -20.122 -2.005 -14.773 1.000 2 B 93.904 1 ATOM 3400 C CD . LYS 68 68 ? B -20.984 -0.788 -15.083 1.000 2 B 93.904 1 ATOM 3401 C CE . LYS 68 68 ? B -21.721 -0.946 -16.406 1.000 2 B 93.904 1 ATOM 3402 N NZ . LYS 68 68 ? B -22.548 0.256 -16.726 1.000 2 B 93.904 1 ATOM 3403 N N . VAL 69 69 ? B -16.563 -3.470 -11.678 1.000 2 B 96.732 1 ATOM 3404 C CA . VAL 69 69 ? B -15.670 -3.280 -10.539 1.000 2 B 96.732 1 ATOM 3405 C C . VAL 69 69 ? B -14.292 -2.840 -11.031 1.000 2 B 96.732 1 ATOM 3406 O O . VAL 69 69 ? B -13.794 -3.348 -12.038 1.000 2 B 96.732 1 ATOM 3407 C CB . VAL 69 69 ? B -15.548 -4.567 -9.693 1.000 2 B 96.732 1 ATOM 3408 C CG1 . VAL 69 69 ? B -14.433 -4.428 -8.657 1.000 2 B 96.732 1 ATOM 3409 C CG2 . VAL 69 69 ? B -16.878 -4.884 -9.012 1.000 2 B 96.732 1 ATOM 3410 N N . GLU 70 70 ? B -13.840 -1.844 -10.390 1.000 2 B 94.875 1 ATOM 3411 C CA . GLU 70 70 ? B -12.467 -1.406 -10.623 1.000 2 B 94.875 1 ATOM 3412 C C . GLU 70 70 ? B -11.527 -1.939 -9.546 1.000 2 B 94.875 1 ATOM 3413 O O . GLU 70 70 ? B -11.970 -2.324 -8.462 1.000 2 B 94.875 1 ATOM 3414 C CB . GLU 70 70 ? B -12.392 0.122 -10.677 1.000 2 B 94.875 1 ATOM 3415 C CG . GLU 70 70 ? B -13.194 0.738 -11.814 1.000 2 B 94.875 1 ATOM 3416 C CD . GLU 70 70 ? B -13.084 2.253 -11.875 1.000 2 B 94.875 1 ATOM 3417 O OE1 . GLU 70 70 ? B -13.853 2.888 -12.631 1.000 2 B 94.875 1 ATOM 3418 O OE2 . GLU 70 70 ? B -12.220 2.810 -11.161 1.000 2 B 94.875 1 ATOM 3419 N N . HIS 71 71 ? B -10.142 -1.991 -9.948 1.000 2 B 94.398 1 ATOM 3420 C CA . HIS 71 71 ? B -9.192 -2.449 -8.941 1.000 2 B 94.398 1 ATOM 3421 C C . HIS 71 71 ? B -7.834 -1.779 -9.120 1.000 2 B 94.398 1 ATOM 3422 O O . HIS 71 71 ? B -7.513 -1.296 -10.209 1.000 2 B 94.398 1 ATOM 3423 C CB . HIS 71 71 ? B -9.038 -3.970 -9.003 1.000 2 B 94.398 1 ATOM 3424 C CG . HIS 71 71 ? B -8.558 -4.472 -10.327 1.000 2 B 94.398 1 ATOM 3425 N ND1 . HIS 71 71 ? B -7.227 -4.476 -10.683 1.000 2 B 94.398 1 ATOM 3426 C CD2 . HIS 71 71 ? B -9.234 -4.989 -11.380 1.000 2 B 94.398 1 ATOM 3427 C CE1 . HIS 71 71 ? B -7.104 -4.975 -11.902 1.000 2 B 94.398 1 ATOM 3428 N NE2 . HIS 71 71 ? B -8.308 -5.294 -12.347 1.000 2 B 94.398 1 ATOM 3429 N N . SER 72 72 ? B -7.203 -1.761 -7.983 1.000 2 B 92.899 1 ATOM 3430 C CA . SER 72 72 ? B -5.844 -1.229 -8.009 1.000 2 B 92.899 1 ATOM 3431 C C . SER 72 72 ? B -4.869 -2.233 -8.615 1.000 2 B 92.899 1 ATOM 3432 O O . SER 72 72 ? B -5.200 -3.410 -8.772 1.000 2 B 92.899 1 ATOM 3433 C CB . SER 72 72 ? B -5.389 -0.851 -6.599 1.000 2 B 92.899 1 ATOM 3434 O OG . SER 72 72 ? B -5.241 -2.006 -5.792 1.000 2 B 92.899 1 ATOM 3435 N N . ASP 73 73 ? B -3.712 -1.721 -9.010 1.000 2 B 92.619 1 ATOM 3436 C CA . ASP 73 73 ? B -2.643 -2.602 -9.470 1.000 2 B 92.619 1 ATOM 3437 C C . ASP 73 73 ? B -2.085 -3.436 -8.319 1.000 2 B 92.619 1 ATOM 3438 O O . ASP 73 73 ? B -2.077 -2.990 -7.170 1.000 2 B 92.619 1 ATOM 3439 C CB . ASP 73 73 ? B -1.522 -1.791 -10.124 1.000 2 B 92.619 1 ATOM 3440 C CG . ASP 73 73 ? B -1.948 -1.132 -11.424 1.000 2 B 92.619 1 ATOM 3441 O OD1 . ASP 73 73 ? B -2.574 -1.804 -12.272 1.000 2 B 92.619 1 ATOM 3442 O OD2 . ASP 73 73 ? B -1.652 0.069 -11.603 1.000 2 B 92.619 1 ATOM 3443 N N . LEU 74 74 ? B -1.694 -4.686 -8.657 1.000 2 B 93.885 1 ATOM 3444 C CA . LEU 74 74 ? B -1.079 -5.545 -7.651 1.000 2 B 93.885 1 ATOM 3445 C C . LEU 74 74 ? B 0.232 -4.947 -7.153 1.000 2 B 93.885 1 ATOM 3446 O O . LEU 74 74 ? B 1.130 -4.659 -7.948 1.000 2 B 93.885 1 ATOM 3447 C CB . LEU 74 74 ? B -0.831 -6.945 -8.219 1.000 2 B 93.885 1 ATOM 3448 C CG . LEU 74 74 ? B -0.269 -7.982 -7.246 1.000 2 B 93.885 1 ATOM 3449 C CD1 . LEU 74 74 ? B -1.295 -8.305 -6.165 1.000 2 B 93.885 1 ATOM 3450 C CD2 . LEU 74 74 ? B 0.145 -9.247 -7.992 1.000 2 B 93.885 1 ATOM 3451 N N . SER 75 75 ? B 0.367 -4.701 -5.874 1.000 2 B 94.438 1 ATOM 3452 C CA . SER 75 75 ? B 1.562 -4.195 -5.206 1.000 2 B 94.438 1 ATOM 3453 C C . SER 75 75 ? B 1.834 -4.954 -3.912 1.000 2 B 94.438 1 ATOM 3454 O O . SER 75 75 ? B 1.113 -5.895 -3.574 1.000 2 B 94.438 1 ATOM 3455 C CB . SER 75 75 ? B 1.420 -2.702 -4.911 1.000 2 B 94.438 1 ATOM 3456 O OG . SER 75 75 ? B 2.666 -2.143 -4.534 1.000 2 B 94.438 1 ATOM 3457 N N . PHE 76 76 ? B 2.943 -4.633 -3.259 1.000 2 B 95.989 1 ATOM 3458 C CA . PHE 76 76 ? B 3.286 -5.369 -2.048 1.000 2 B 95.989 1 ATOM 3459 C C . PHE 76 76 ? B 3.895 -4.441 -1.004 1.000 2 B 95.989 1 ATOM 3460 O O . PHE 76 76 ? B 4.319 -3.329 -1.326 1.000 2 B 95.989 1 ATOM 3461 C CB . PHE 76 76 ? B 4.258 -6.510 -2.367 1.000 2 B 95.989 1 ATOM 3462 C CG . PHE 76 76 ? B 5.501 -6.064 -3.088 1.000 2 B 95.989 1 ATOM 3463 C CD1 . PHE 76 76 ? B 5.568 -6.103 -4.476 1.000 2 B 95.989 1 ATOM 3464 C CD2 . PHE 76 76 ? B 6.603 -5.605 -2.379 1.000 2 B 95.989 1 ATOM 3465 C CE1 . PHE 76 76 ? B 6.717 -5.691 -5.146 1.000 2 B 95.989 1 ATOM 3466 C CE2 . PHE 76 76 ? B 7.755 -5.192 -3.042 1.000 2 B 95.989 1 ATOM 3467 C CZ . PHE 76 76 ? B 7.810 -5.236 -4.426 1.000 2 B 95.989 1 ATOM 3468 N N . SER 77 77 ? B 3.844 -4.960 0.295 1.000 2 B 93.732 1 ATOM 3469 C CA . SER 77 77 ? B 4.317 -4.207 1.452 1.000 2 B 93.732 1 ATOM 3470 C C . SER 77 77 ? B 5.751 -4.583 1.808 1.000 2 B 93.732 1 ATOM 3471 O O . SER 77 77 ? B 6.353 -5.442 1.158 1.000 2 B 93.732 1 ATOM 3472 C CB . SER 77 77 ? B 3.405 -4.443 2.656 1.000 2 B 93.732 1 ATOM 3473 O OG . SER 77 77 ? B 2.079 -4.034 2.371 1.000 2 B 93.732 1 ATOM 3474 N N . LYS 78 78 ? B 6.338 -3.978 2.758 1.000 2 B 91.221 1 ATOM 3475 C CA . LYS 78 78 ? B 7.724 -4.158 3.182 1.000 2 B 91.221 1 ATOM 3476 C C . LYS 78 78 ? B 7.971 -5.586 3.660 1.000 2 B 91.221 1 ATOM 3477 O O . LYS 78 78 ? B 9.107 -6.064 3.643 1.000 2 B 91.221 1 ATOM 3478 C CB . LYS 78 78 ? B 8.081 -3.165 4.289 1.000 2 B 91.221 1 ATOM 3479 C CG . LYS 78 78 ? B 8.213 -1.726 3.811 1.000 2 B 91.221 1 ATOM 3480 C CD . LYS 78 78 ? B 8.619 -0.795 4.946 1.000 2 B 91.221 1 ATOM 3481 C CE . LYS 78 78 ? B 8.724 0.649 4.475 1.000 2 B 91.221 1 ATOM 3482 N NZ . LYS 78 78 ? B 9.091 1.570 5.592 1.000 2 B 91.221 1 ATOM 3483 N N . ASP 79 79 ? B 6.898 -6.240 4.037 1.000 2 B 94.547 1 ATOM 3484 C CA . ASP 79 79 ? B 7.066 -7.617 4.490 1.000 2 B 94.547 1 ATOM 3485 C C . ASP 79 79 ? B 6.839 -8.604 3.347 1.000 2 B 94.547 1 ATOM 3486 O O . ASP 79 79 ? B 6.634 -9.797 3.581 1.000 2 B 94.547 1 ATOM 3487 C CB . ASP 79 79 ? B 6.110 -7.922 5.646 1.000 2 B 94.547 1 ATOM 3488 C CG . ASP 79 79 ? B 4.648 -7.847 5.242 1.000 2 B 94.547 1 ATOM 3489 O OD1 . ASP 79 79 ? B 4.354 -7.486 4.082 1.000 2 B 94.547 1 ATOM 3490 O OD2 . ASP 79 79 ? B 3.783 -8.149 6.092 1.000 2 B 94.547 1 ATOM 3491 N N . TRP 80 80 ? B 6.728 -8.123 2.124 1.000 2 B 96.008 1 ATOM 3492 C CA . TRP 80 80 ? B 6.676 -8.852 0.860 1.000 2 B 96.008 1 ATOM 3493 C C . TRP 80 80 ? B 5.285 -9.429 0.622 1.000 2 B 96.008 1 ATOM 3494 O O . TRP 80 80 ? B 5.081 -10.209 -0.312 1.000 2 B 96.008 1 ATOM 3495 C CB . TRP 80 80 ? B 7.718 -9.973 0.843 1.000 2 B 96.008 1 ATOM 3496 C CG . TRP 80 80 ? B 9.110 -9.517 1.161 1.000 2 B 96.008 1 ATOM 3497 C CD1 . TRP 80 80 ? B 9.943 -10.021 2.121 1.000 2 B 96.008 1 ATOM 3498 C CD2 . TRP 80 80 ? B 9.829 -8.458 0.521 1.000 2 B 96.008 1 ATOM 3499 N NE1 . TRP 80 80 ? B 11.138 -9.340 2.115 1.000 2 B 96.008 1 ATOM 3500 C CE2 . TRP 80 80 ? B 11.094 -8.377 1.143 1.000 2 B 96.008 1 ATOM 3501 C CE3 . TRP 80 80 ? B 9.527 -7.571 -0.521 1.000 2 B 96.008 1 ATOM 3502 C CZ2 . TRP 80 80 ? B 12.057 -7.441 0.758 1.000 2 B 96.008 1 ATOM 3503 C CZ3 . TRP 80 80 ? B 10.486 -6.641 -0.903 1.000 2 B 96.008 1 ATOM 3504 C CH2 . TRP 80 80 ? B 11.736 -6.585 -0.264 1.000 2 B 96.008 1 ATOM 3505 N N . SER 81 81 ? B 4.309 -9.116 1.528 1.000 2 B 96.850 1 ATOM 3506 C CA . SER 81 81 ? B 2.938 -9.553 1.286 1.000 2 B 96.850 1 ATOM 3507 C C . SER 81 81 ? B 2.226 -8.623 0.309 1.000 2 B 96.850 1 ATOM 3508 O O . SER 81 81 ? B 2.576 -7.447 0.196 1.000 2 B 96.850 1 ATOM 3509 C CB . SER 81 81 ? B 2.157 -9.621 2.599 1.000 2 B 96.850 1 ATOM 3510 O OG . SER 81 81 ? B 2.053 -8.336 3.190 1.000 2 B 96.850 1 ATOM 3511 N N . PHE 82 82 ? B 1.275 -9.122 -0.458 1.000 2 B 97.384 1 ATOM 3512 C CA . PHE 82 82 ? B 0.579 -8.381 -1.504 1.000 2 B 97.384 1 ATOM 3513 C C . PHE 82 82 ? B -0.656 -7.686 -0.944 1.000 2 B 97.384 1 ATOM 3514 O O . PHE 82 82 ? B -1.174 -8.077 0.104 1.000 2 B 97.384 1 ATOM 3515 C CB . PHE 82 82 ? B 0.181 -9.315 -2.652 1.000 2 B 97.384 1 ATOM 3516 C CG . PHE 82 82 ? B 1.352 -9.864 -3.420 1.000 2 B 97.384 1 ATOM 3517 C CD1 . PHE 82 82 ? B 2.042 -9.069 -4.327 1.000 2 B 97.384 1 ATOM 3518 C CD2 . PHE 82 82 ? B 1.764 -11.178 -3.236 1.000 2 B 97.384 1 ATOM 3519 C CE1 . PHE 82 82 ? B 3.126 -9.575 -5.040 1.000 2 B 97.384 1 ATOM 3520 C CE2 . PHE 82 82 ? B 2.846 -11.691 -3.945 1.000 2 B 97.384 1 ATOM 3521 C CZ . PHE 82 82 ? B 3.525 -10.888 -4.847 1.000 2 B 97.384 1 ATOM 3522 N N . TYR 83 83 ? B -1.059 -6.665 -1.631 1.000 2 B 96.482 1 ATOM 3523 C CA . TYR 83 83 ? B -2.346 -6.037 -1.354 1.000 2 B 96.482 1 ATOM 3524 C C . TYR 83 83 ? B -3.007 -5.558 -2.641 1.000 2 B 96.482 1 ATOM 3525 O O . TYR 83 83 ? B -2.325 -5.288 -3.633 1.000 2 B 96.482 1 ATOM 3526 C CB . TYR 83 83 ? B -2.175 -4.863 -0.386 1.000 2 B 96.482 1 ATOM 3527 C CG . TYR 83 83 ? B -1.241 -3.790 -0.892 1.000 2 B 96.482 1 ATOM 3528 C CD1 . TYR 83 83 ? B 0.086 -3.741 -0.472 1.000 2 B 96.482 1 ATOM 3529 C CD2 . TYR 83 83 ? B -1.684 -2.824 -1.789 1.000 2 B 96.482 1 ATOM 3530 C CE1 . TYR 83 83 ? B 0.950 -2.754 -0.933 1.000 2 B 96.482 1 ATOM 3531 C CE2 . TYR 83 83 ? B -0.828 -1.832 -2.257 1.000 2 B 96.482 1 ATOM 3532 C CZ . TYR 83 83 ? B 0.485 -1.806 -1.825 1.000 2 B 96.482 1 ATOM 3533 O OH . TYR 83 83 ? B 1.336 -0.826 -2.285 1.000 2 B 96.482 1 ATOM 3534 N N . LEU 84 84 ? B -4.438 -5.475 -2.624 1.000 2 B 96.133 1 ATOM 3535 C CA . LEU 84 84 ? B -5.282 -5.013 -3.721 1.000 2 B 96.133 1 ATOM 3536 C C . LEU 84 84 ? B -6.527 -4.311 -3.190 1.000 2 B 96.133 1 ATOM 3537 O O . LEU 84 84 ? B -7.039 -4.666 -2.125 1.000 2 B 96.133 1 ATOM 3538 C CB . LEU 84 84 ? B -5.687 -6.186 -4.617 1.000 2 B 96.133 1 ATOM 3539 C CG . LEU 84 84 ? B -4.583 -6.784 -5.492 1.000 2 B 96.133 1 ATOM 3540 C CD1 . LEU 84 84 ? B -5.030 -8.123 -6.068 1.000 2 B 96.133 1 ATOM 3541 C CD2 . LEU 84 84 ? B -4.202 -5.817 -6.607 1.000 2 B 96.133 1 ATOM 3542 N N . LEU 85 85 ? B -6.947 -3.334 -3.964 1.000 2 B 96.650 1 ATOM 3543 C CA . LEU 85 85 ? B -8.207 -2.658 -3.673 1.000 2 B 96.650 1 ATOM 3544 C C . LEU 85 85 ? B -9.196 -2.834 -4.820 1.000 2 B 96.650 1 ATOM 3545 O O . LEU 85 85 ? B -8.885 -2.511 -5.969 1.000 2 B 96.650 1 ATOM 3546 C CB . LEU 85 85 ? B -7.968 -1.168 -3.414 1.000 2 B 96.650 1 ATOM 3547 C CG . LEU 85 85 ? B -9.216 -0.306 -3.214 1.000 2 B 96.650 1 ATOM 3548 C CD1 . LEU 85 85 ? B -9.899 -0.660 -1.897 1.000 2 B 96.650 1 ATOM 3549 C CD2 . LEU 85 85 ? B -8.855 1.175 -3.254 1.000 2 B 96.650 1 ATOM 3550 N N . TYR 86 86 ? B -10.341 -3.455 -4.515 1.000 2 B 97.466 1 ATOM 3551 C CA . TYR 86 86 ? B -11.483 -3.507 -5.420 1.000 2 B 97.466 1 ATOM 3552 C C . TYR 86 86 ? B -12.571 -2.534 -4.982 1.000 2 B 97.466 1 ATOM 3553 O O . TYR 86 86 ? B -12.895 -2.448 -3.795 1.000 2 B 97.466 1 ATOM 3554 C CB . TYR 86 86 ? B -12.051 -4.928 -5.489 1.000 2 B 97.466 1 ATOM 3555 C CG . TYR 86 86 ? B -11.199 -5.884 -6.289 1.000 2 B 97.466 1 ATOM 3556 C CD1 . TYR 86 86 ? B -11.641 -6.386 -7.511 1.000 2 B 97.466 1 ATOM 3557 C CD2 . TYR 86 86 ? B -9.953 -6.288 -5.824 1.000 2 B 97.466 1 ATOM 3558 C CE1 . TYR 86 86 ? B -10.861 -7.268 -8.250 1.000 2 B 97.466 1 ATOM 3559 C CE2 . TYR 86 86 ? B -9.164 -7.170 -6.555 1.000 2 B 97.466 1 ATOM 3560 C CZ . TYR 86 86 ? B -9.626 -7.654 -7.765 1.000 2 B 97.466 1 ATOM 3561 O OH . TYR 86 86 ? B -8.849 -8.527 -8.493 1.000 2 B 97.466 1 ATOM 3562 N N . TYR 87 87 ? B -13.094 -1.788 -5.993 1.000 2 B 96.892 1 ATOM 3563 C CA . TYR 87 87 ? B -14.103 -0.820 -5.577 1.000 2 B 96.892 1 ATOM 3564 C C . TYR 87 87 ? B -15.115 -0.575 -6.690 1.000 2 B 96.892 1 ATOM 3565 O O . TYR 87 87 ? B -14.806 -0.756 -7.870 1.000 2 B 96.892 1 ATOM 3566 C CB . TYR 87 87 ? B -13.445 0.502 -5.171 1.000 2 B 96.892 1 ATOM 3567 C CG . TYR 87 87 ? B -12.650 1.150 -6.278 1.000 2 B 96.892 1 ATOM 3568 C CD1 . TYR 87 87 ? B -11.314 0.816 -6.491 1.000 2 B 96.892 1 ATOM 3569 C CD2 . TYR 87 87 ? B -13.232 2.098 -7.113 1.000 2 B 96.892 1 ATOM 3570 C CE1 . TYR 87 87 ? B -10.578 1.413 -7.509 1.000 2 B 96.892 1 ATOM 3571 C CE2 . TYR 87 87 ? B -12.505 2.701 -8.134 1.000 2 B 96.892 1 ATOM 3572 C CZ . TYR 87 87 ? B -11.181 2.352 -8.324 1.000 2 B 96.892 1 ATOM 3573 O OH . TYR 87 87 ? B -10.456 2.946 -9.334 1.000 2 B 96.892 1 ATOM 3574 N N . THR 88 88 ? B -16.355 -0.203 -6.276 1.000 2 B 96.530 1 ATOM 3575 C CA . THR 88 88 ? B -17.443 0.109 -7.196 1.000 2 B 96.530 1 ATOM 3576 C C . THR 88 88 ? B -18.402 1.121 -6.577 1.000 2 B 96.530 1 ATOM 3577 O O . THR 88 88 ? B -18.527 1.197 -5.353 1.000 2 B 96.530 1 ATOM 3578 C CB . THR 88 88 ? B -18.219 -1.161 -7.593 1.000 2 B 96.530 1 ATOM 3579 O OG1 . THR 88 88 ? B -19.133 -0.844 -8.651 1.000 2 B 96.530 1 ATOM 3580 C CG2 . THR 88 88 ? B -19.002 -1.720 -6.410 1.000 2 B 96.530 1 ATOM 3581 N N . GLU 89 89 ? B -18.971 1.906 -7.474 1.000 2 B 95.099 1 ATOM 3582 C CA . GLU 89 89 ? B -20.048 2.775 -7.007 1.000 2 B 95.099 1 ATOM 3583 C C . GLU 89 89 ? B -21.272 1.963 -6.593 1.000 2 B 95.099 1 ATOM 3584 O O . GLU 89 89 ? B -21.566 0.925 -7.190 1.000 2 B 95.099 1 ATOM 3585 C CB . GLU 89 89 ? B -20.430 3.786 -8.091 1.000 2 B 95.099 1 ATOM 3586 C CG . GLU 89 89 ? B -19.336 4.796 -8.403 1.000 2 B 95.099 1 ATOM 3587 C CD . GLU 89 89 ? B -19.739 5.810 -9.461 1.000 2 B 95.099 1 ATOM 3588 O OE1 . GLU 89 89 ? B -18.906 6.672 -9.825 1.000 2 B 95.099 1 ATOM 3589 O OE2 . GLU 89 89 ? B -20.897 5.743 -9.930 1.000 2 B 95.099 1 ATOM 3590 N N . PHE 90 90 ? B -21.848 2.456 -5.440 1.000 2 B 94.714 1 ATOM 3591 C CA . PHE 90 90 ? B -23.082 1.788 -5.041 1.000 2 B 94.714 1 ATOM 3592 C C . PHE 90 90 ? B -23.979 2.734 -4.252 1.000 2 B 94.714 1 ATOM 3593 O O . PHE 90 90 ? B -23.565 3.841 -3.899 1.000 2 B 94.714 1 ATOM 3594 C CB . PHE 90 90 ? B -22.774 0.540 -4.208 1.000 2 B 94.714 1 ATOM 3595 C CG . PHE 90 90 ? B -22.506 0.830 -2.756 1.000 2 B 94.714 1 ATOM 3596 C CD1 . PHE 90 90 ? B -21.709 1.905 -2.383 1.000 2 B 94.714 1 ATOM 3597 C CD2 . PHE 90 90 ? B -23.052 0.027 -1.763 1.000 2 B 94.714 1 ATOM 3598 C CE1 . PHE 90 90 ? B -21.460 2.176 -1.039 1.000 2 B 94.714 1 ATOM 3599 C CE2 . PHE 90 90 ? B -22.808 0.291 -0.419 1.000 2 B 94.714 1 ATOM 3600 C CZ . PHE 90 90 ? B -22.010 1.365 -0.059 1.000 2 B 94.714 1 ATOM 3601 N N . THR 91 91 ? B -25.285 2.426 -4.189 1.000 2 B 94.984 1 ATOM 3602 C CA . THR 91 91 ? B -26.270 3.136 -3.381 1.000 2 B 94.984 1 ATOM 3603 C C . THR 91 91 ? B -26.861 2.216 -2.317 1.000 2 B 94.984 1 ATOM 3604 O O . THR 91 91 ? B -27.661 1.332 -2.629 1.000 2 B 94.984 1 ATOM 3605 C CB . THR 91 91 ? B -27.401 3.709 -4.255 1.000 2 B 94.984 1 ATOM 3606 O OG1 . THR 91 91 ? B -26.833 4.515 -5.294 1.000 2 B 94.984 1 ATOM 3607 C CG2 . THR 91 91 ? B -28.355 4.564 -3.428 1.000 2 B 94.984 1 ATOM 3608 N N . PRO 92 92 ? B -26.322 2.429 -1.046 1.000 2 B 92.757 1 ATOM 3609 C CA . PRO 92 92 ? B -26.781 1.552 0.033 1.000 2 B 92.757 1 ATOM 3610 C C . PRO 92 92 ? B -28.287 1.642 0.267 1.000 2 B 92.757 1 ATOM 3611 O O . PRO 92 92 ? B -28.863 2.731 0.193 1.000 2 B 92.757 1 ATOM 3612 C CB . PRO 92 92 ? B -26.007 2.059 1.253 1.000 2 B 92.757 1 ATOM 3613 C CG . PRO 92 92 ? B -24.932 2.930 0.688 1.000 2 B 92.757 1 ATOM 3614 C CD . PRO 92 92 ? B -25.353 3.379 -0.682 1.000 2 B 92.757 1 ATOM 3615 N N . THR 93 93 ? B -28.998 0.492 0.405 1.000 2 B 93.830 1 ATOM 3616 C CA . THR 93 93 ? B -30.394 0.366 0.807 1.000 2 B 93.830 1 ATOM 3617 C C . THR 93 93 ? B -30.525 -0.533 2.034 1.000 2 B 93.830 1 ATOM 3618 O O . THR 93 93 ? B -29.575 -1.224 2.408 1.000 2 B 93.830 1 ATOM 3619 C CB . THR 93 93 ? B -31.257 -0.196 -0.338 1.000 2 B 93.830 1 ATOM 3620 O OG1 . THR 93 93 ? B -30.896 -1.562 -0.574 1.000 2 B 93.830 1 ATOM 3621 C CG2 . THR 93 93 ? B -31.052 0.602 -1.622 1.000 2 B 93.830 1 ATOM 3622 N N . GLU 94 94 ? B -31.656 -0.424 2.645 1.000 2 B 89.746 1 ATOM 3623 C CA . GLU 94 94 ? B -31.913 -1.210 3.848 1.000 2 B 89.746 1 ATOM 3624 C C . GLU 94 94 ? B -31.986 -2.700 3.529 1.000 2 B 89.746 1 ATOM 3625 O O . GLU 94 94 ? B -31.640 -3.537 4.365 1.000 2 B 89.746 1 ATOM 3626 C CB . GLU 94 94 ? B -33.209 -0.752 4.523 1.000 2 B 89.746 1 ATOM 3627 C CG . GLU 94 94 ? B -33.089 0.583 5.244 1.000 2 B 89.746 1 ATOM 3628 C CD . GLU 94 94 ? B -34.316 0.931 6.070 1.000 2 B 89.746 1 ATOM 3629 O OE1 . GLU 94 94 ? B -34.303 1.971 6.768 1.000 2 B 89.746 1 ATOM 3630 O OE2 . GLU 94 94 ? B -35.299 0.158 6.021 1.000 2 B 89.746 1 ATOM 3631 N N . LYS 95 95 ? B -32.317 -3.045 2.312 1.000 2 B 92.137 1 ATOM 3632 C CA . LYS 95 95 ? B -32.647 -4.425 1.969 1.000 2 B 92.137 1 ATOM 3633 C C . LYS 95 95 ? B -31.461 -5.129 1.317 1.000 2 B 92.137 1 ATOM 3634 O O . LYS 95 95 ? B -31.341 -6.353 1.390 1.000 2 B 92.137 1 ATOM 3635 C CB . LYS 95 95 ? B -33.860 -4.471 1.038 1.000 2 B 92.137 1 ATOM 3636 C CG . LYS 95 95 ? B -35.147 -3.965 1.673 1.000 2 B 92.137 1 ATOM 3637 C CD . LYS 95 95 ? B -36.320 -4.055 0.706 1.000 2 B 92.137 1 ATOM 3638 C CE . LYS 95 95 ? B -37.596 -3.494 1.319 1.000 2 B 92.137 1 ATOM 3639 N NZ . LYS 95 95 ? B -38.756 -3.605 0.384 1.000 2 B 92.137 1 ATOM 3640 N N . ASP 96 96 ? B -30.594 -4.367 0.742 1.000 2 B 94.594 1 ATOM 3641 C CA . ASP 96 96 ? B -29.510 -4.973 -0.026 1.000 2 B 94.594 1 ATOM 3642 C C . ASP 96 96 ? B -28.343 -5.358 0.880 1.000 2 B 94.594 1 ATOM 3643 O O . ASP 96 96 ? B -28.062 -4.672 1.865 1.000 2 B 94.594 1 ATOM 3644 C CB . ASP 96 96 ? B -29.032 -4.020 -1.123 1.000 2 B 94.594 1 ATOM 3645 C CG . ASP 96 96 ? B -30.035 -3.864 -2.253 1.000 2 B 94.594 1 ATOM 3646 O OD1 . ASP 96 96 ? B -30.764 -4.832 -2.558 1.000 2 B 94.594 1 ATOM 3647 O OD2 . ASP 96 96 ? B -30.094 -2.765 -2.845 1.000 2 B 94.594 1 ATOM 3648 N N . GLU 97 97 ? B -27.761 -6.494 0.511 1.000 2 B 95.713 1 ATOM 3649 C CA . GLU 97 97 ? B -26.558 -6.963 1.192 1.000 2 B 95.713 1 ATOM 3650 C C . GLU 97 97 ? B -25.356 -6.964 0.252 1.000 2 B 95.713 1 ATOM 3651 O O . GLU 97 97 ? B -25.455 -7.417 -0.890 1.000 2 B 95.713 1 ATOM 3652 C CB . GLU 97 97 ? B -26.778 -8.365 1.767 1.000 2 B 95.713 1 ATOM 3653 C CG . GLU 97 97 ? B -25.639 -8.853 2.650 1.000 2 B 95.713 1 ATOM 3654 C CD . GLU 97 97 ? B -25.875 -10.243 3.219 1.000 2 B 95.713 1 ATOM 3655 O OE1 . GLU 97 97 ? B -24.905 -11.028 3.326 1.000 2 B 95.713 1 ATOM 3656 O OE2 . GLU 97 97 ? B -27.039 -10.551 3.560 1.000 2 B 95.713 1 ATOM 3657 N N . TYR 98 98 ? B -24.250 -6.443 0.792 1.000 2 B 97.289 1 ATOM 3658 C CA . TYR 98 98 ? B -23.013 -6.392 0.020 1.000 2 B 97.289 1 ATOM 3659 C C . TYR 98 98 ? B -21.905 -7.177 0.712 1.000 2 B 97.289 1 ATOM 3660 O O . TYR 98 98 ? B -21.848 -7.229 1.943 1.000 2 B 97.289 1 ATOM 3661 C CB . TYR 98 98 ? B -22.571 -4.941 -0.191 1.000 2 B 97.289 1 ATOM 3662 C CG . TYR 98 98 ? B -23.565 -4.110 -0.965 1.000 2 B 97.289 1 ATOM 3663 C CD1 . TYR 98 98 ? B -23.495 -4.018 -2.353 1.000 2 B 97.289 1 ATOM 3664 C CD2 . TYR 98 98 ? B -24.576 -3.414 -0.310 1.000 2 B 97.289 1 ATOM 3665 C CE1 . TYR 98 98 ? B -24.407 -3.252 -3.071 1.000 2 B 97.289 1 ATOM 3666 C CE2 . TYR 98 98 ? B -25.494 -2.645 -1.018 1.000 2 B 97.289 1 ATOM 3667 C CZ . TYR 98 98 ? B -25.402 -2.571 -2.395 1.000 2 B 97.289 1 ATOM 3668 O OH . TYR 98 98 ? B -26.308 -1.811 -3.101 1.000 2 B 97.289 1 ATOM 3669 N N . ALA 99 99 ? B -21.081 -7.809 -0.103 1.000 2 B 98.149 1 ATOM 3670 C CA . ALA 99 99 ? B -20.021 -8.640 0.461 1.000 2 B 98.149 1 ATOM 3671 C C . ALA 99 99 ? B -18.830 -8.730 -0.489 1.000 2 B 98.149 1 ATOM 3672 O O . ALA 99 99 ? B -18.934 -8.357 -1.660 1.000 2 B 98.149 1 ATOM 3673 C CB . ALA 99 99 ? B -20.552 -10.037 0.777 1.000 2 B 98.149 1 ATOM 3674 N N . CYS 100 100 ? B -17.695 -9.146 0.054 1.000 2 B 98.392 1 ATOM 3675 C CA . CYS 100 100 ? B -16.466 -9.445 -0.672 1.000 2 B 98.392 1 ATOM 3676 C C . CYS 100 100 ? B -16.117 -10.925 -0.569 1.000 2 B 98.392 1 ATOM 3677 O O . CYS 100 100 ? B -15.994 -11.463 0.533 1.000 2 B 98.392 1 ATOM 3678 C CB . CYS 100 100 ? B -15.309 -8.601 -0.138 1.000 2 B 98.392 1 ATOM 3679 S SG . CYS 100 100 ? B -13.746 -8.878 -1.000 1.000 2 B 98.392 1 ATOM 3680 N N . ARG 101 101 ? B -16.096 -11.550 -1.748 1.000 2 B 98.487 1 ATOM 3681 C CA . ARG 101 101 ? B -15.713 -12.957 -1.804 1.000 2 B 98.487 1 ATOM 3682 C C . ARG 101 101 ? B -14.267 -13.114 -2.260 1.000 2 B 98.487 1 ATOM 3683 O O . ARG 101 101 ? B -13.897 -12.649 -3.340 1.000 2 B 98.487 1 ATOM 3684 C CB . ARG 101 101 ? B -16.645 -13.731 -2.740 1.000 2 B 98.487 1 ATOM 3685 C CG . ARG 101 101 ? B -16.363 -15.224 -2.793 1.000 2 B 98.487 1 ATOM 3686 C CD . ARG 101 101 ? B -17.414 -15.968 -3.605 1.000 2 B 98.487 1 ATOM 3687 N NE . ARG 101 101 ? B -17.372 -15.590 -5.015 1.000 2 B 98.487 1 ATOM 3688 C CZ . ARG 101 101 ? B -18.326 -15.862 -5.901 1.000 2 B 98.487 1 ATOM 3689 N NH1 . ARG 101 101 ? B -19.420 -16.523 -5.539 1.000 2 B 98.487 1 ATOM 3690 N NH2 . ARG 101 101 ? B -18.186 -15.471 -7.159 1.000 2 B 98.487 1 ATOM 3691 N N . VAL 102 102 ? B -13.472 -13.782 -1.409 1.000 2 B 98.514 1 ATOM 3692 C CA . VAL 102 102 ? B -12.049 -13.943 -1.690 1.000 2 B 98.514 1 ATOM 3693 C C . VAL 102 102 ? B -11.694 -15.427 -1.724 1.000 2 B 98.514 1 ATOM 3694 O O . VAL 102 102 ? B -12.028 -16.173 -0.801 1.000 2 B 98.514 1 ATOM 3695 C CB . VAL 102 102 ? B -11.178 -13.210 -0.646 1.000 2 B 98.514 1 ATOM 3696 C CG1 . VAL 102 102 ? B -9.695 -13.485 -0.891 1.000 2 B 98.514 1 ATOM 3697 C CG2 . VAL 102 102 ? B -11.458 -11.708 -0.677 1.000 2 B 98.514 1 ATOM 3698 N N . ASN 103 103 ? B -11.049 -15.829 -2.800 1.000 2 B 98.296 1 ATOM 3699 C CA . ASN 103 103 ? B -10.491 -17.166 -2.978 1.000 2 B 98.296 1 ATOM 3700 C C . ASN 103 103 ? B -8.970 -17.128 -3.096 1.000 2 B 98.296 1 ATOM 3701 O O . ASN 103 103 ? B -8.427 -16.415 -3.941 1.000 2 B 98.296 1 ATOM 3702 C CB . ASN 103 103 ? B -11.102 -17.844 -4.206 1.000 2 B 98.296 1 ATOM 3703 C CG . ASN 103 103 ? B -10.780 -19.324 -4.277 1.000 2 B 98.296 1 ATOM 3704 O OD1 . ASN 103 103 ? B -10.366 -19.929 -3.285 1.000 2 B 98.296 1 ATOM 3705 N ND2 . ASN 103 103 ? B -10.970 -19.916 -5.450 1.000 2 B 98.296 1 ATOM 3706 N N . HIS 104 104 ? B -8.340 -17.843 -2.215 1.000 2 B 97.272 1 ATOM 3707 C CA . HIS 104 104 ? B -6.884 -17.896 -2.143 1.000 2 B 97.272 1 ATOM 3708 C C . HIS 104 104 ? B -6.403 -19.275 -1.705 1.000 2 B 97.272 1 ATOM 3709 O O . HIS 104 104 ? B -7.108 -19.982 -0.981 1.000 2 B 97.272 1 ATOM 3710 C CB . HIS 104 104 ? B -6.356 -16.827 -1.184 1.000 2 B 97.272 1 ATOM 3711 C CG . HIS 104 104 ? B -4.866 -16.703 -1.185 1.000 2 B 97.272 1 ATOM 3712 N ND1 . HIS 104 104 ? B -4.074 -17.242 -0.195 1.000 2 B 97.272 1 ATOM 3713 C CD2 . HIS 104 104 ? B -4.024 -16.104 -2.060 1.000 2 B 97.272 1 ATOM 3714 C CE1 . HIS 104 104 ? B -2.806 -16.978 -0.461 1.000 2 B 97.272 1 ATOM 3715 N NE2 . HIS 104 104 ? B -2.748 -16.288 -1.587 1.000 2 B 97.272 1 ATOM 3716 N N . VAL 105 105 ? B -5.281 -19.730 -2.179 1.000 2 B 93.998 1 ATOM 3717 C CA . VAL 105 105 ? B -4.759 -21.075 -1.960 1.000 2 B 93.998 1 ATOM 3718 C C . VAL 105 105 ? B -4.695 -21.367 -0.462 1.000 2 B 93.998 1 ATOM 3719 O O . VAL 105 105 ? B -4.742 -22.527 -0.047 1.000 2 B 93.998 1 ATOM 3720 C CB . VAL 105 105 ? B -3.363 -21.253 -2.598 1.000 2 B 93.998 1 ATOM 3721 C CG1 . VAL 105 105 ? B -2.326 -20.393 -1.877 1.000 2 B 93.998 1 ATOM 3722 C CG2 . VAL 105 105 ? B -2.951 -22.724 -2.575 1.000 2 B 93.998 1 ATOM 3723 N N . THR 106 106 ? B -4.526 -20.335 0.387 1.000 2 B 96.124 1 ATOM 3724 C CA . THR 106 106 ? B -4.386 -20.528 1.826 1.000 2 B 96.124 1 ATOM 3725 C C . THR 106 106 ? B -5.754 -20.678 2.487 1.000 2 B 96.124 1 ATOM 3726 O O . THR 106 106 ? B -5.843 -20.968 3.682 1.000 2 B 96.124 1 ATOM 3727 C CB . THR 106 106 ? B -3.625 -19.358 2.476 1.000 2 B 96.124 1 ATOM 3728 O OG1 . THR 106 106 ? B -4.346 -18.141 2.247 1.000 2 B 96.124 1 ATOM 3729 C CG2 . THR 106 106 ? B -2.223 -19.222 1.891 1.000 2 B 96.124 1 ATOM 3730 N N . LEU 107 107 ? B -6.824 -20.486 1.720 1.000 2 B 97.519 1 ATOM 3731 C CA . LEU 107 107 ? B -8.179 -20.647 2.236 1.000 2 B 97.519 1 ATOM 3732 C C . LEU 107 107 ? B -8.771 -21.983 1.801 1.000 2 B 97.519 1 ATOM 3733 O O . LEU 107 107 ? B -8.651 -22.371 0.637 1.000 2 B 97.519 1 ATOM 3734 C CB . LEU 107 107 ? B -9.074 -19.500 1.760 1.000 2 B 97.519 1 ATOM 3735 C CG . LEU 107 107 ? B -8.647 -18.090 2.175 1.000 2 B 97.519 1 ATOM 3736 C CD1 . LEU 107 107 ? B -9.490 -17.047 1.449 1.000 2 B 97.519 1 ATOM 3737 C CD2 . LEU 107 107 ? B -8.761 -17.920 3.686 1.000 2 B 97.519 1 ATOM 3738 N N . SER 108 108 ? B -9.327 -22.761 2.749 1.000 2 B 96.607 1 ATOM 3739 C CA . SER 108 108 ? B -9.936 -24.050 2.438 1.000 2 B 96.607 1 ATOM 3740 C C . SER 108 108 ? B -11.155 -23.883 1.538 1.000 2 B 96.607 1 ATOM 3741 O O . SER 108 108 ? B -11.468 -24.767 0.737 1.000 2 B 96.607 1 ATOM 3742 C CB . SER 108 108 ? B -10.336 -24.778 3.722 1.000 2 B 96.607 1 ATOM 3743 O OG . SER 108 108 ? B -11.237 -23.994 4.485 1.000 2 B 96.607 1 ATOM 3744 N N . GLN 109 109 ? B -11.929 -22.846 1.696 1.000 2 B 97.240 1 ATOM 3745 C CA . GLN 109 109 ? B -13.059 -22.397 0.890 1.000 2 B 97.240 1 ATOM 3746 C C . GLN 109 109 ? B -13.039 -20.882 0.709 1.000 2 B 97.240 1 ATOM 3747 O O . GLN 109 109 ? B -12.376 -20.170 1.466 1.000 2 B 97.240 1 ATOM 3748 C CB . GLN 109 109 ? B -14.380 -22.832 1.527 1.000 2 B 97.240 1 ATOM 3749 C CG . GLN 109 109 ? B -14.595 -22.285 2.932 1.000 2 B 97.240 1 ATOM 3750 C CD . GLN 109 109 ? B -15.808 -22.886 3.617 1.000 2 B 97.240 1 ATOM 3751 O OE1 . GLN 109 109 ? B -16.791 -23.246 2.962 1.000 2 B 97.240 1 ATOM 3752 N NE2 . GLN 109 109 ? B -15.748 -22.996 4.939 1.000 2 B 97.240 1 ATOM 3753 N N . PRO 110 110 ? B -13.742 -20.497 -0.346 1.000 2 B 97.695 1 ATOM 3754 C CA . PRO 110 110 ? B -13.834 -19.043 -0.490 1.000 2 B 97.695 1 ATOM 3755 C C . PRO 110 110 ? B -14.353 -18.356 0.772 1.000 2 B 97.695 1 ATOM 3756 O O . PRO 110 110 ? B -15.246 -18.882 1.442 1.000 2 B 97.695 1 ATOM 3757 C CB . PRO 110 110 ? B -14.815 -18.865 -1.651 1.000 2 B 97.695 1 ATOM 3758 C CG . PRO 110 110 ? B -14.703 -20.127 -2.443 1.000 2 B 97.695 1 ATOM 3759 C CD . PRO 110 110 ? B -14.464 -21.266 -1.494 1.000 2 B 97.695 1 ATOM 3760 N N . LYS 111 111 ? B -13.681 -17.252 1.187 1.000 2 B 98.127 1 ATOM 3761 C CA . LYS 111 111 ? B -14.100 -16.452 2.334 1.000 2 B 98.127 1 ATOM 3762 C C . LYS 111 111 ? B -14.977 -15.282 1.898 1.000 2 B 98.127 1 ATOM 3763 O O . LYS 111 111 ? B -14.632 -14.553 0.966 1.000 2 B 98.127 1 ATOM 3764 C CB . LYS 111 111 ? B -12.882 -15.935 3.101 1.000 2 B 98.127 1 ATOM 3765 C CG . LYS 111 111 ? B -13.222 -15.264 4.424 1.000 2 B 98.127 1 ATOM 3766 C CD . LYS 111 111 ? B -11.974 -15.006 5.258 1.000 2 B 98.127 1 ATOM 3767 C CE . LYS 111 111 ? B -12.321 -14.415 6.617 1.000 2 B 98.127 1 ATOM 3768 N NZ . LYS 111 111 ? B -11.105 -14.213 7.460 1.000 2 B 98.127 1 ATOM 3769 N N . ILE 112 112 ? B -16.143 -15.172 2.555 1.000 2 B 98.168 1 ATOM 3770 C CA . ILE 112 112 ? B -17.071 -14.087 2.253 1.000 2 B 98.168 1 ATOM 3771 C C . ILE 112 112 ? B -17.176 -13.150 3.453 1.000 2 B 98.168 1 ATOM 3772 O O . ILE 112 112 ? B -17.509 -13.582 4.559 1.000 2 B 98.168 1 ATOM 3773 C CB . ILE 112 112 ? B -18.467 -14.628 1.870 1.000 2 B 98.168 1 ATOM 3774 C CG1 . ILE 112 112 ? B -18.374 -15.510 0.620 1.000 2 B 98.168 1 ATOM 3775 C CG2 . ILE 112 112 ? B -19.452 -13.475 1.656 1.000 2 B 98.168 1 ATOM 3776 C CD1 . ILE 112 112 ? B -19.683 -16.188 0.242 1.000 2 B 98.168 1 ATOM 3777 N N . VAL 113 113 ? B -16.770 -11.909 3.234 1.000 2 B 97.758 1 ATOM 3778 C CA . VAL 113 113 ? B -16.870 -10.898 4.281 1.000 2 B 97.758 1 ATOM 3779 C C . VAL 113 113 ? B -17.945 -9.878 3.914 1.000 2 B 97.758 1 ATOM 3780 O O . VAL 113 113 ? B -17.848 -9.208 2.883 1.000 2 B 97.758 1 ATOM 3781 C CB . VAL 113 113 ? B -15.518 -10.186 4.514 1.000 2 B 97.758 1 ATOM 3782 C CG1 . VAL 113 113 ? B -15.644 -9.135 5.616 1.000 2 B 97.758 1 ATOM 3783 C CG2 . VAL 113 113 ? B -14.434 -11.204 4.863 1.000 2 B 97.758 1 ATOM 3784 N N . LYS 114 114 ? B -18.962 -9.789 4.792 1.000 2 B 97.464 1 ATOM 3785 C CA . LYS 114 114 ? B -20.089 -8.890 4.555 1.000 2 B 97.464 1 ATOM 3786 C C . LYS 114 114 ? B -19.741 -7.458 4.948 1.000 2 B 97.464 1 ATOM 3787 O O . LYS 114 114 ? B -18.976 -7.235 5.889 1.000 2 B 97.464 1 ATOM 3788 C CB . LYS 114 114 ? B -21.322 -9.361 5.327 1.000 2 B 97.464 1 ATOM 3789 C CG . LYS 114 114 ? B -21.888 -10.687 4.842 1.000 2 B 97.464 1 ATOM 3790 C CD . LYS 114 114 ? B -23.152 -11.068 5.602 1.000 2 B 97.464 1 ATOM 3791 C CE . LYS 114 114 ? B -23.706 -12.406 5.133 1.000 2 B 97.464 1 ATOM 3792 N NZ . LYS 114 114 ? B -24.911 -12.812 5.917 1.000 2 B 97.464 1 ATOM 3793 N N . TRP 115 115 ? B -20.137 -6.596 4.089 1.000 2 B 95.994 1 ATOM 3794 C CA . TRP 115 115 ? B -20.048 -5.178 4.423 1.000 2 B 95.994 1 ATOM 3795 C C . TRP 115 115 ? B -20.924 -4.844 5.625 1.000 2 B 95.994 1 ATOM 3796 O O . TRP 115 115 ? B -22.109 -5.184 5.651 1.000 2 B 95.994 1 ATOM 3797 C CB . TRP 115 115 ? B -20.455 -4.316 3.224 1.000 2 B 95.994 1 ATOM 3798 C CG . TRP 115 115 ? B -20.546 -2.851 3.529 1.000 2 B 95.994 1 ATOM 3799 C CD1 . TRP 115 115 ? B -19.540 -2.039 3.973 1.000 2 B 95.994 1 ATOM 3800 C CD2 . TRP 115 115 ? B -21.710 -2.026 3.418 1.000 2 B 95.994 1 ATOM 3801 N NE1 . TRP 115 115 ? B -20.009 -0.756 4.144 1.000 2 B 95.994 1 ATOM 3802 C CE2 . TRP 115 115 ? B -21.336 -0.722 3.810 1.000 2 B 95.994 1 ATOM 3803 C CE3 . TRP 115 115 ? B -23.033 -2.263 3.023 1.000 2 B 95.994 1 ATOM 3804 C CZ2 . TRP 115 115 ? B -22.240 0.343 3.818 1.000 2 B 95.994 1 ATOM 3805 C CZ3 . TRP 115 115 ? B -23.931 -1.202 3.032 1.000 2 B 95.994 1 ATOM 3806 C CH2 . TRP 115 115 ? B -23.528 0.084 3.427 1.000 2 B 95.994 1 ATOM 3807 N N . ASP 116 116 ? B -20.234 -4.302 6.587 1.000 2 B 90.850 1 ATOM 3808 C CA . ASP 116 116 ? B -20.939 -3.813 7.768 1.000 2 B 90.850 1 ATOM 3809 C C . ASP 116 116 ? B -21.106 -2.296 7.720 1.000 2 B 90.850 1 ATOM 3810 O O . ASP 116 116 ? B -20.121 -1.556 7.777 1.000 2 B 90.850 1 ATOM 3811 C CB . ASP 116 116 ? B -20.197 -4.221 9.043 1.000 2 B 90.850 1 ATOM 3812 C CG . ASP 116 116 ? B -20.968 -3.892 10.309 1.000 2 B 90.850 1 ATOM 3813 O OD1 . ASP 116 116 ? B -22.007 -3.201 10.228 1.000 2 B 90.850 1 ATOM 3814 O OD2 . ASP 116 116 ? B -20.531 -4.324 11.397 1.000 2 B 90.850 1 ATOM 3815 N N . ARG 117 117 ? B -22.349 -1.869 7.756 1.000 2 B 86.157 1 ATOM 3816 C CA . ARG 117 117 ? B -22.711 -0.460 7.629 1.000 2 B 86.157 1 ATOM 3817 C C . ARG 117 117 ? B -22.102 0.366 8.757 1.000 2 B 86.157 1 ATOM 3818 O O . ARG 117 117 ? B -21.826 1.555 8.584 1.000 2 B 86.157 1 ATOM 3819 C CB . ARG 117 117 ? B -24.232 -0.294 7.619 1.000 2 B 86.157 1 ATOM 3820 C CG . ARG 117 117 ? B -24.895 -0.766 6.335 1.000 2 B 86.157 1 ATOM 3821 C CD . ARG 117 117 ? B -26.394 -0.499 6.344 1.000 2 B 86.157 1 ATOM 3822 N NE . ARG 117 117 ? B -26.702 0.863 5.918 1.000 2 B 86.157 1 ATOM 3823 C CZ . ARG 117 117 ? B -27.892 1.445 6.040 1.000 2 B 86.157 1 ATOM 3824 N NH1 . ARG 117 117 ? B -28.915 0.791 6.579 1.000 2 B 86.157 1 ATOM 3825 N NH2 . ARG 117 117 ? B -28.062 2.689 5.618 1.000 2 B 86.157 1 ATOM 3826 N N . ASP 118 118 ? B -21.804 -0.287 9.854 1.000 2 B 77.277 1 ATOM 3827 C CA . ASP 118 118 ? B -21.349 0.426 11.044 1.000 2 B 77.277 1 ATOM 3828 C C . ASP 118 118 ? B -19.829 0.361 11.175 1.000 2 B 77.277 1 ATOM 3829 O O . ASP 118 118 ? B -19.257 0.921 12.112 1.000 2 B 77.277 1 ATOM 3830 C CB . ASP 118 118 ? B -22.010 -0.148 12.299 1.000 2 B 77.277 1 ATOM 3831 C CG . ASP 118 118 ? B -23.505 0.114 12.354 1.000 2 B 77.277 1 ATOM 3832 O OD1 . ASP 118 118 ? B -23.961 1.156 11.837 1.000 2 B 77.277 1 ATOM 3833 O OD2 . ASP 118 118 ? B -24.233 -0.730 12.921 1.000 2 B 77.277 1 ATOM 3834 N N . MET 119 119 ? B -19.099 -0.367 10.186 1.000 2 B 68.915 1 ATOM 3835 C CA . MET 119 119 ? B -17.647 -0.510 10.253 1.000 2 B 68.915 1 ATOM 3836 C C . MET 119 119 ? B -16.972 0.250 9.116 1.000 2 B 68.915 1 ATOM 3837 O O . MET 119 119 ? B -17.567 0.446 8.055 1.000 2 B 68.915 1 ATOM 3838 C CB . MET 119 119 ? B -17.249 -1.986 10.204 1.000 2 B 68.915 1 ATOM 3839 C CG . MET 119 119 ? B -17.601 -2.758 11.466 1.000 2 B 68.915 1 ATOM 3840 S SD . MET 119 119 ? B -16.568 -4.259 11.683 1.000 2 B 68.915 1 ATOM 3841 C CE . MET 119 119 ? B -16.882 -4.613 13.434 1.000 2 B 68.915 1 loop_ _atom_type.symbol C N O S loop_ _ma_entry_associated_files.id _ma_entry_associated_files.entry_id _ma_entry_associated_files.file_url _ma_entry_associated_files.file_type _ma_entry_associated_files.file_format _ma_entry_associated_files.file_content _ma_entry_associated_files.details 1 ma-t3vr3-240 https://modelarchive.org/api/projects/ma-t3vr3-240?type=materials_procedures__accompanying_data_file_name archive zip 'archive with multiple files' . loop_ _ma_associated_archive_file_details.id _ma_associated_archive_file_details.archive_file_id _ma_associated_archive_file_details.file_path _ma_associated_archive_file_details.file_format _ma_associated_archive_file_details.file_content _ma_associated_archive_file_details.description _ma_associated_archive_file_details.data_id 1 1 ma-t3vr3-240_predicted_aligned_error_v1.cif cif 'local pairwise QA scores' 'Predicted aligned error and contact probability' . 2 1 P04439_P61769.i95.fas fasta 'multiple sequence alignments' 'Paired MSAs' 4 loop_ _ma_qa_metric.id _ma_qa_metric.name _ma_qa_metric.description _ma_qa_metric.type _ma_qa_metric.mode _ma_qa_metric.type_other_details _ma_qa_metric.software_group_id 1 pLDDT 'Predicted accuracy according to the CA-only lDDT in [0,100]' pLDDT global . . 2 pLDDT 'Predicted accuracy according to the CA-only lDDT in [0,100]' pLDDT local . . 3 PAE 'Predicted aligned error (in Angstroms)' PAE local-pairwise . . 4 'contact probability' 'Contact probability of a pairwise interaction in [0,1]' 'contact probability' local-pairwise . . loop_ _ma_qa_metric_global.ordinal_id _ma_qa_metric_global.model_id _ma_qa_metric_global.metric_id _ma_qa_metric_global.metric_value 1 1 1 85.581 loop_ _ma_qa_metric_local.ordinal_id _ma_qa_metric_local.model_id _ma_qa_metric_local.label_asym_id _ma_qa_metric_local.label_seq_id _ma_qa_metric_local.label_comp_id _ma_qa_metric_local.metric_id _ma_qa_metric_local.metric_value 1 1 A 1 MET 2 36.140 2 1 A 2 ALA 2 38.330 3 1 A 3 VAL 2 40.533 4 1 A 4 MET 2 38.288 5 1 A 5 ALA 2 42.424 6 1 A 6 PRO 2 47.695 7 1 A 7 ARG 2 50.516 8 1 A 8 THR 2 48.946 9 1 A 9 LEU 2 48.102 10 1 A 10 LEU 2 47.795 11 1 A 11 LEU 2 49.389 12 1 A 12 LEU 2 46.430 13 1 A 13 LEU 2 46.074 14 1 A 14 SER 2 46.254 15 1 A 15 GLY 2 44.193 16 1 A 16 ALA 2 40.087 17 1 A 17 LEU 2 38.662 18 1 A 18 ALA 2 38.773 19 1 A 19 LEU 2 34.791 20 1 A 20 THR 2 36.860 21 1 A 21 GLN 2 40.331 22 1 A 22 THR 2 40.720 23 1 A 23 TRP 2 47.915 24 1 A 24 ALA 2 55.574 25 1 A 25 GLY 2 73.697 26 1 A 26 SER 2 90.345 27 1 A 27 HIS 2 95.026 28 1 A 28 SER 2 96.629 29 1 A 29 MET 2 98.041 30 1 A 30 ARG 2 97.631 31 1 A 31 TYR 2 97.819 32 1 A 32 PHE 2 98.029 33 1 A 33 PHE 2 98.309 34 1 A 34 THR 2 97.942 35 1 A 35 SER 2 97.205 36 1 A 36 VAL 2 95.320 37 1 A 37 SER 2 93.222 38 1 A 38 ARG 2 89.236 39 1 A 39 PRO 2 80.005 40 1 A 40 GLY 2 79.701 41 1 A 41 ARG 2 75.919 42 1 A 42 GLY 2 81.832 43 1 A 43 GLU 2 90.366 44 1 A 44 PRO 2 94.175 45 1 A 45 ARG 2 95.229 46 1 A 46 PHE 2 97.224 47 1 A 47 ILE 2 97.431 48 1 A 48 ALA 2 98.169 49 1 A 49 VAL 2 98.010 50 1 A 50 GLY 2 97.753 51 1 A 51 TYR 2 97.119 52 1 A 52 VAL 2 97.242 53 1 A 53 ASP 2 94.016 54 1 A 54 ASP 2 91.323 55 1 A 55 THR 2 94.165 56 1 A 56 GLN 2 95.352 57 1 A 57 PHE 2 97.110 58 1 A 58 VAL 2 97.366 59 1 A 59 ARG 2 97.101 60 1 A 60 PHE 2 98.011 61 1 A 61 ASP 2 96.574 62 1 A 62 SER 2 95.907 63 1 A 63 ASP 2 93.325 64 1 A 64 ALA 2 93.799 65 1 A 65 ALA 2 93.981 66 1 A 66 SER 2 91.342 67 1 A 67 GLN 2 94.424 68 1 A 68 ARG 2 97.459 69 1 A 69 MET 2 97.637 70 1 A 70 GLU 2 96.603 71 1 A 71 PRO 2 96.788 72 1 A 72 ARG 2 95.210 73 1 A 73 ALA 2 94.830 74 1 A 74 PRO 2 95.447 75 1 A 75 TRP 2 95.698 76 1 A 76 ILE 2 97.141 77 1 A 77 GLU 2 95.564 78 1 A 78 GLN 2 94.820 79 1 A 79 GLU 2 95.623 80 1 A 80 GLY 2 95.454 81 1 A 81 PRO 2 96.121 82 1 A 82 GLU 2 97.362 83 1 A 83 TYR 2 96.686 84 1 A 84 TRP 2 97.489 85 1 A 85 ASP 2 97.952 86 1 A 86 GLN 2 97.497 87 1 A 87 GLU 2 97.466 88 1 A 88 THR 2 98.257 89 1 A 89 ARG 2 98.125 90 1 A 90 ASN 2 97.282 91 1 A 91 VAL 2 97.702 92 1 A 92 LYS 2 97.965 93 1 A 93 ALA 2 97.853 94 1 A 94 GLN 2 97.582 95 1 A 95 SER 2 97.559 96 1 A 96 GLN 2 96.997 97 1 A 97 THR 2 97.158 98 1 A 98 ASP 2 97.166 99 1 A 99 ARG 2 95.666 100 1 A 100 VAL 2 95.936 101 1 A 101 ASP 2 97.185 102 1 A 102 LEU 2 96.158 103 1 A 103 GLY 2 94.602 104 1 A 104 THR 2 96.843 105 1 A 105 LEU 2 96.802 106 1 A 106 ARG 2 94.396 107 1 A 107 GLY 2 94.777 108 1 A 108 TYR 2 95.889 109 1 A 109 TYR 2 94.790 110 1 A 110 ASN 2 93.634 111 1 A 111 GLN 2 92.115 112 1 A 112 SER 2 88.146 113 1 A 113 GLU 2 85.931 114 1 A 114 ALA 2 85.691 115 1 A 115 GLY 2 85.276 116 1 A 116 SER 2 89.318 117 1 A 117 HIS 2 93.677 118 1 A 118 THR 2 95.810 119 1 A 119 ILE 2 97.760 120 1 A 120 GLN 2 98.185 121 1 A 121 ILE 2 98.170 122 1 A 122 MET 2 97.926 123 1 A 123 TYR 2 97.897 124 1 A 124 GLY 2 97.999 125 1 A 125 CYS 2 98.371 126 1 A 126 ASP 2 97.514 127 1 A 127 VAL 2 96.576 128 1 A 128 GLY 2 93.730 129 1 A 129 SER 2 87.519 130 1 A 130 ASP 2 89.267 131 1 A 131 GLY 2 90.583 132 1 A 132 ARG 2 94.467 133 1 A 133 PHE 2 97.132 134 1 A 134 LEU 2 96.567 135 1 A 135 ARG 2 96.608 136 1 A 136 GLY 2 97.584 137 1 A 137 TYR 2 96.351 138 1 A 138 ARG 2 97.783 139 1 A 139 GLN 2 98.156 140 1 A 140 ASP 2 98.260 141 1 A 141 ALA 2 98.107 142 1 A 142 TYR 2 97.544 143 1 A 143 ASP 2 95.419 144 1 A 144 GLY 2 94.951 145 1 A 145 LYS 2 95.436 146 1 A 146 ASP 2 97.155 147 1 A 147 TYR 2 98.109 148 1 A 148 ILE 2 98.588 149 1 A 149 ALA 2 98.466 150 1 A 150 LEU 2 98.491 151 1 A 151 ASN 2 97.982 152 1 A 152 GLU 2 95.172 153 1 A 153 ASP 2 96.104 154 1 A 154 LEU 2 97.387 155 1 A 155 ARG 2 96.832 156 1 A 156 SER 2 97.377 157 1 A 157 TRP 2 98.459 158 1 A 158 THR 2 98.464 159 1 A 159 ALA 2 98.629 160 1 A 160 ALA 2 97.730 161 1 A 161 ASP 2 97.003 162 1 A 162 MET 2 96.722 163 1 A 163 ALA 2 96.532 164 1 A 164 ALA 2 98.315 165 1 A 165 GLN 2 98.583 166 1 A 166 ILE 2 98.215 167 1 A 167 THR 2 98.156 168 1 A 168 LYS 2 98.622 169 1 A 169 ARG 2 98.514 170 1 A 170 LYS 2 98.017 171 1 A 171 TRP 2 98.048 172 1 A 172 GLU 2 98.243 173 1 A 173 ALA 2 98.056 174 1 A 174 ALA 2 97.761 175 1 A 175 HIS 2 97.266 176 1 A 176 GLU 2 97.281 177 1 A 177 ALA 2 97.995 178 1 A 178 GLU 2 97.124 179 1 A 179 GLN 2 95.844 180 1 A 180 LEU 2 97.357 181 1 A 181 ARG 2 97.785 182 1 A 182 ALA 2 97.331 183 1 A 183 TYR 2 97.430 184 1 A 184 LEU 2 98.382 185 1 A 185 ASP 2 96.808 186 1 A 186 GLY 2 97.050 187 1 A 187 THR 2 97.250 188 1 A 188 CYS 2 98.195 189 1 A 189 VAL 2 98.263 190 1 A 190 GLU 2 97.781 191 1 A 191 TRP 2 97.439 192 1 A 192 LEU 2 97.968 193 1 A 193 ARG 2 96.938 194 1 A 194 ARG 2 96.278 195 1 A 195 TYR 2 96.918 196 1 A 196 LEU 2 95.813 197 1 A 197 GLU 2 95.373 198 1 A 198 ASN 2 96.039 199 1 A 199 GLY 2 95.231 200 1 A 200 LYS 2 94.220 201 1 A 201 GLU 2 92.831 202 1 A 202 THR 2 93.168 203 1 A 203 LEU 2 93.724 204 1 A 204 GLN 2 91.896 205 1 A 205 ARG 2 93.644 206 1 A 206 THR 2 94.112 207 1 A 207 ASP 2 96.009 208 1 A 208 PRO 2 97.159 209 1 A 209 PRO 2 97.500 210 1 A 210 LYS 2 96.995 211 1 A 211 THR 2 96.221 212 1 A 212 HIS 2 93.920 213 1 A 213 MET 2 93.627 214 1 A 214 THR 2 92.125 215 1 A 215 HIS 2 91.878 216 1 A 216 HIS 2 91.443 217 1 A 217 PRO 2 91.678 218 1 A 218 ILE 2 91.352 219 1 A 219 SER 2 92.485 220 1 A 220 ASP 2 90.303 221 1 A 221 HIS 2 94.580 222 1 A 222 GLU 2 95.499 223 1 A 223 ALA 2 94.383 224 1 A 224 THR 2 94.973 225 1 A 225 LEU 2 95.360 226 1 A 226 ARG 2 95.197 227 1 A 227 CYS 2 96.275 228 1 A 228 TRP 2 95.815 229 1 A 229 ALA 2 97.444 230 1 A 230 LEU 2 96.575 231 1 A 231 GLY 2 96.441 232 1 A 232 PHE 2 96.956 233 1 A 233 TYR 2 95.808 234 1 A 234 PRO 2 93.715 235 1 A 235 ALA 2 94.701 236 1 A 236 GLU 2 93.839 237 1 A 237 ILE 2 95.337 238 1 A 238 THR 2 95.222 239 1 A 239 LEU 2 96.645 240 1 A 240 THR 2 95.659 241 1 A 241 TRP 2 96.079 242 1 A 242 GLN 2 95.918 243 1 A 243 ARG 2 95.482 244 1 A 244 ASP 2 92.963 245 1 A 245 GLY 2 91.791 246 1 A 246 GLU 2 94.768 247 1 A 247 ASP 2 93.313 248 1 A 248 GLN 2 92.339 249 1 A 249 THR 2 85.511 250 1 A 250 GLN 2 84.570 251 1 A 251 ASP 2 85.579 252 1 A 252 THR 2 92.548 253 1 A 253 GLU 2 92.818 254 1 A 254 LEU 2 91.141 255 1 A 255 VAL 2 91.868 256 1 A 256 GLU 2 90.198 257 1 A 257 THR 2 94.580 258 1 A 258 ARG 2 93.854 259 1 A 259 PRO 2 95.163 260 1 A 260 ALA 2 94.132 261 1 A 261 GLY 2 86.365 262 1 A 262 ASP 2 89.307 263 1 A 263 GLY 2 90.212 264 1 A 264 THR 2 95.516 265 1 A 265 PHE 2 96.740 266 1 A 266 GLN 2 96.627 267 1 A 267 LYS 2 96.506 268 1 A 268 TRP 2 95.568 269 1 A 269 ALA 2 96.339 270 1 A 270 ALA 2 95.679 271 1 A 271 VAL 2 95.657 272 1 A 272 VAL 2 95.766 273 1 A 273 VAL 2 94.904 274 1 A 274 PRO 2 94.771 275 1 A 275 SER 2 91.435 276 1 A 276 GLY 2 89.325 277 1 A 277 GLU 2 92.476 278 1 A 278 GLU 2 92.226 279 1 A 279 GLN 2 91.321 280 1 A 280 ARG 2 93.998 281 1 A 281 TYR 2 95.190 282 1 A 282 THR 2 96.420 283 1 A 283 CYS 2 96.928 284 1 A 284 HIS 2 96.782 285 1 A 285 VAL 2 97.376 286 1 A 286 GLN 2 96.464 287 1 A 287 HIS 2 95.543 288 1 A 288 GLU 2 91.995 289 1 A 289 GLY 2 93.370 290 1 A 290 LEU 2 95.934 291 1 A 291 PRO 2 93.520 292 1 A 292 LYS 2 94.632 293 1 A 293 PRO 2 95.989 294 1 A 294 LEU 2 96.009 295 1 A 295 THR 2 96.473 296 1 A 296 LEU 2 95.074 297 1 A 297 ARG 2 91.687 298 1 A 298 TRP 2 86.336 299 1 A 299 GLU 2 80.402 300 1 A 300 LEU 2 70.087 301 1 A 301 SER 2 58.869 302 1 A 302 SER 2 46.654 303 1 A 303 GLN 2 47.486 304 1 A 304 PRO 2 46.359 305 1 A 305 THR 2 46.127 306 1 A 306 ILE 2 53.790 307 1 A 307 PRO 2 49.363 308 1 A 308 ILE 2 57.827 309 1 A 309 VAL 2 57.651 310 1 A 310 GLY 2 61.181 311 1 A 311 ILE 2 72.939 312 1 A 312 ILE 2 76.206 313 1 A 313 ALA 2 76.752 314 1 A 314 GLY 2 82.703 315 1 A 315 LEU 2 85.140 316 1 A 316 VAL 2 83.500 317 1 A 317 LEU 2 84.954 318 1 A 318 LEU 2 84.789 319 1 A 319 GLY 2 83.944 320 1 A 320 ALA 2 82.978 321 1 A 321 VAL 2 84.244 322 1 A 322 ILE 2 82.947 323 1 A 323 THR 2 79.632 324 1 A 324 GLY 2 80.378 325 1 A 325 ALA 2 80.440 326 1 A 326 VAL 2 81.293 327 1 A 327 VAL 2 79.617 328 1 A 328 ALA 2 76.641 329 1 A 329 ALA 2 76.659 330 1 A 330 VAL 2 75.705 331 1 A 331 MET 2 71.812 332 1 A 332 TRP 2 71.661 333 1 A 333 ARG 2 62.608 334 1 A 334 ARG 2 59.685 335 1 A 335 LYS 2 53.315 336 1 A 336 SER 2 50.938 337 1 A 337 SER 2 51.456 338 1 A 338 ASP 2 48.078 339 1 A 339 ARG 2 42.234 340 1 A 340 LYS 2 36.213 341 1 A 341 GLY 2 33.451 342 1 A 342 GLY 2 30.975 343 1 A 343 SER 2 28.650 344 1 A 344 TYR 2 27.490 345 1 A 345 THR 2 33.582 346 1 A 346 GLN 2 30.510 347 1 A 347 ALA 2 30.668 348 1 A 348 ALA 2 30.300 349 1 A 349 SER 2 30.206 350 1 A 350 SER 2 29.862 351 1 A 351 ASP 2 32.013 352 1 A 352 SER 2 36.237 353 1 A 353 ALA 2 31.635 354 1 A 354 GLN 2 33.830 355 1 A 355 GLY 2 28.069 356 1 A 356 SER 2 36.789 357 1 A 357 ASP 2 34.447 358 1 A 358 VAL 2 33.029 359 1 A 359 SER 2 32.748 360 1 A 360 LEU 2 36.306 361 1 A 361 THR 2 33.079 362 1 A 362 ALA 2 33.829 363 1 A 363 CYS 2 34.985 364 1 A 364 LYS 2 27.963 365 1 A 365 VAL 2 40.051 366 1 B 1 MET 2 55.880 367 1 B 2 SER 2 68.742 368 1 B 3 ARG 2 67.104 369 1 B 4 SER 2 71.382 370 1 B 5 VAL 2 75.326 371 1 B 6 ALA 2 75.641 372 1 B 7 LEU 2 75.898 373 1 B 8 ALA 2 75.357 374 1 B 9 VAL 2 73.732 375 1 B 10 LEU 2 68.577 376 1 B 11 ALA 2 67.241 377 1 B 12 LEU 2 60.948 378 1 B 13 LEU 2 55.823 379 1 B 14 SER 2 53.047 380 1 B 15 LEU 2 48.415 381 1 B 16 SER 2 47.402 382 1 B 17 GLY 2 49.495 383 1 B 18 LEU 2 53.530 384 1 B 19 GLU 2 65.476 385 1 B 20 ALA 2 74.666 386 1 B 21 ILE 2 87.474 387 1 B 22 GLN 2 92.703 388 1 B 23 ARG 2 95.935 389 1 B 24 THR 2 97.491 390 1 B 25 PRO 2 97.737 391 1 B 26 LYS 2 96.910 392 1 B 27 ILE 2 96.838 393 1 B 28 GLN 2 95.550 394 1 B 29 VAL 2 96.675 395 1 B 30 TYR 2 95.418 396 1 B 31 SER 2 94.720 397 1 B 32 ARG 2 93.020 398 1 B 33 HIS 2 90.284 399 1 B 34 PRO 2 90.044 400 1 B 35 ALA 2 90.446 401 1 B 36 GLU 2 92.324 402 1 B 37 ASN 2 93.193 403 1 B 38 GLY 2 93.813 404 1 B 39 LYS 2 95.336 405 1 B 40 SER 2 94.953 406 1 B 41 ASN 2 94.396 407 1 B 42 PHE 2 95.086 408 1 B 43 LEU 2 96.231 409 1 B 44 ASN 2 96.949 410 1 B 45 CYS 2 97.503 411 1 B 46 TYR 2 97.040 412 1 B 47 VAL 2 97.695 413 1 B 48 SER 2 97.095 414 1 B 49 GLY 2 96.416 415 1 B 50 PHE 2 96.975 416 1 B 51 HIS 2 96.073 417 1 B 52 PRO 2 93.070 418 1 B 53 SER 2 93.740 419 1 B 54 ASP 2 92.443 420 1 B 55 ILE 2 95.681 421 1 B 56 GLU 2 96.962 422 1 B 57 VAL 2 98.168 423 1 B 58 ASP 2 98.111 424 1 B 59 LEU 2 98.348 425 1 B 60 LEU 2 98.222 426 1 B 61 LYS 2 97.489 427 1 B 62 ASN 2 96.524 428 1 B 63 GLY 2 96.173 429 1 B 64 GLU 2 97.556 430 1 B 65 ARG 2 97.439 431 1 B 66 ILE 2 97.292 432 1 B 67 GLU 2 93.397 433 1 B 68 LYS 2 93.904 434 1 B 69 VAL 2 96.732 435 1 B 70 GLU 2 94.875 436 1 B 71 HIS 2 94.398 437 1 B 72 SER 2 92.899 438 1 B 73 ASP 2 92.619 439 1 B 74 LEU 2 93.885 440 1 B 75 SER 2 94.438 441 1 B 76 PHE 2 95.989 442 1 B 77 SER 2 93.732 443 1 B 78 LYS 2 91.221 444 1 B 79 ASP 2 94.547 445 1 B 80 TRP 2 96.008 446 1 B 81 SER 2 96.850 447 1 B 82 PHE 2 97.384 448 1 B 83 TYR 2 96.482 449 1 B 84 LEU 2 96.133 450 1 B 85 LEU 2 96.650 451 1 B 86 TYR 2 97.466 452 1 B 87 TYR 2 96.892 453 1 B 88 THR 2 96.530 454 1 B 89 GLU 2 95.099 455 1 B 90 PHE 2 94.714 456 1 B 91 THR 2 94.984 457 1 B 92 PRO 2 92.757 458 1 B 93 THR 2 93.830 459 1 B 94 GLU 2 89.746 460 1 B 95 LYS 2 92.137 461 1 B 96 ASP 2 94.594 462 1 B 97 GLU 2 95.713 463 1 B 98 TYR 2 97.289 464 1 B 99 ALA 2 98.149 465 1 B 100 CYS 2 98.392 466 1 B 101 ARG 2 98.487 467 1 B 102 VAL 2 98.514 468 1 B 103 ASN 2 98.296 469 1 B 104 HIS 2 97.272 470 1 B 105 VAL 2 93.998 471 1 B 106 THR 2 96.124 472 1 B 107 LEU 2 97.519 473 1 B 108 SER 2 96.607 474 1 B 109 GLN 2 97.240 475 1 B 110 PRO 2 97.695 476 1 B 111 LYS 2 98.127 477 1 B 112 ILE 2 98.168 478 1 B 113 VAL 2 97.758 479 1 B 114 LYS 2 97.464 480 1 B 115 TRP 2 95.994 481 1 B 116 ASP 2 90.850 482 1 B 117 ARG 2 86.157 483 1 B 118 ASP 2 77.277 484 1 B 119 MET 2 68.915 _database_2.database_id ModelArchive _database_2.database_code ma-t3vr3-240 _database_2.pdbx_DOI 10.5452/ma-t3vr3-240 _pdbx_database_status.entry_id ma-t3vr3-240 _pdbx_database_status.date_coordinates 2022-09-28:22:27 _pdbx_database_status.status_code REL loop_ _pdbx_contact_author.id _pdbx_contact_author.name_salutation _pdbx_contact_author.name_first _pdbx_contact_author.name_last _pdbx_contact_author.name_mi _pdbx_contact_author.email _pdbx_contact_author.address_1 _pdbx_contact_author.address_2 _pdbx_contact_author.address_3 5 Prof. Qian Cong . Qian.Cong@UTSouthwestern.edu 'University of Texas Southwestern Medical Center' . . loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 2022-12-21 2 'Structure model' 1 1 2023-07-19 3 'Structure model' 1 2 2023-07-25 loop_ _pdbx_audit_revision_details.ordinal _pdbx_audit_revision_details.revision_ordinal _pdbx_audit_revision_details.data_content_type _pdbx_audit_revision_details.provider _pdbx_audit_revision_details.type _pdbx_audit_revision_details.description 1 1 'Structure model' repository 'Initial release' ? 2 3 'Structure model' repository Remediation 'Format compliance remediation' loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' Other 2 3 'Structure model' Other 3 3 'Structure model' 'Version format compliance' loop_ _pdbx_audit_revision_category.ordinal _pdbx_audit_revision_category.revision_ordinal _pdbx_audit_revision_category.data_content_type _pdbx_audit_revision_category.category 1 2 'Structure model' exptl 2 3 'Structure model' ma_data 3 3 'Structure model' ma_associated_archive_file_details 4 3 'Structure model' audit_conform loop_ _pdbx_audit_revision_item.ordinal _pdbx_audit_revision_item.revision_ordinal _pdbx_audit_revision_item.data_content_type _pdbx_audit_revision_item.item 1 2 'Structure model' '_exptl.entry_id' 2 2 'Structure model' '_exptl.method' 3 3 'Structure model' '_ma_data.content_type' 4 3 'Structure model' '_ma_data.content_type_other_details' 5 3 'Structure model' '_ma_associated_archive_file_details.data_id' 6 3 'Structure model' '_audit_conform.dict_location' 7 3 'Structure model' '_audit_conform.dict_version'