data_ma-coffe-slac-c100000_g3_i1 _entry.id ma-coffe-slac-c100000_g3_i1 _entry.ma_collection_id ma-coffe-slac _struct.entry_id 'ma-coffe-slac-c100000_g3_i1' _struct.pdbx_model_details ;Model generated using ColabFold v1.2.0 with AlphaFold producing 5 models with 3 recycles each, without model relaxation, without templates, ranked by pLDDT, starting from an MSA from MMseqs2 (UniRef+Environmental). isoform ID: c100000_g3_i1 peptide length: 416 input MSA size [MMseqs2]: 180 gene ID: c100000_g3 protein ID: 41820 mRNA has start codon [TransDecoder]: False mRNA has stop codon [TransDecoder]: True Preferred name [EggNOG]: - Description [EggNOG]: - CoFFE preferred name [EggNOG]: MCPH1 CoFFE description [EggNOG]: cerebral cortex development CoFFE UniProt function: FUNCTION: Implicated in chromosome condensation and DNA damage induced cellular responses. May play a role in neurogenesis and regulation of the size of the cerebral cortex (By similarity). {ECO:0000250}. average pLDDT [ColabFold]: 49.10 best structural hit [FoldSeek]: AF-P61594-F1 structural state %identity [FoldSeek]: 0.163 bit score [FoldSeek]: 59.0 UniProt ID of best structural hit (CoFFE): P61594 CoFFE Emapper bit score [EggNOG]: 1598.0 CoFFE orthogroups [EggNOG]: KOG4362@1|root, KOG4362@2759|Eukaryota, 39SBQ@33154|Opisthokonta, 3BANR@33208|Metazoa, 3CZH1@33213|Bilateria, 489SM@7711|Chordata, 490XU@7742|Vertebrata, 3JC6C@40674|Mammalia, 35AY6@314146|Euarchontoglires, 4MD0I@9443|Primates, 4MTYU@9604|Hominidae CoFFE maximum annotation level [EggNOG]: 33208|Metazoa CoFFE PFAM domains [EggNOG]: BRCT, BRCT_2, Microcephalin, PTCB-BRCT best sequence hit bit score [Emapper]: - Orthogroups [EggNOG]: - Maximum annotation level [EggNOG]: - PFAM domains [EggNOG]: - ; _struct.pdbx_structure_determination_methodology computational _struct.title 'CoFFE model and functional annotation for c100000_g3_i1' _audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/557bda7/base/mmcif_ma-core.dic _audit_conform.dict_name mmcif_ma.dic _audit_conform.dict_version 1.4.1 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 1 'ColabFold: making protein folding accessible to all.' 'Nature Methods' 19 679 682 2022 35637307 10.1038/s41592-022-01488-1 2 'MMseqs2 desktop and local web server app for fast, interactive sequence searches.' Bioinformatics 35 2856 2858 2019 30615063 10.1093/bioinformatics/bty1057 3 '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 1 'Mirdita, M.' 1 1 'Schuetze, K.' 2 1 'Moriwaki, Y.' 3 1 'Heo, L.' 4 1 'Ovchinnikov, S.' 5 1 'Steinegger, M.' 6 2 'Mirdita, M.' 7 2 'Steinegger, M.' 8 2 'Soeding, J.' 9 3 'Jumper, J.' 10 3 'Evans, R.' 11 3 'Pritzel, A.' 12 3 'Green, T.' 13 3 'Figurnov, M.' 14 3 'Ronneberger, O.' 15 3 'Tunyasuvunakool, K.' 16 3 'Bates, R.' 17 3 'Zidek, A.' 18 3 'Potapenko, A.' 19 3 'Bridgland, A.' 20 3 'Meyer, C.' 21 3 'Kohl, S.A.A.' 22 3 'Ballard, A.J.' 23 3 'Cowie, A.' 24 3 'Romera-Paredes, B.' 25 3 'Nikolov, S.' 26 3 'Jain, R.' 27 3 'Adler, J.' 28 3 'Back, T.' 29 3 'Petersen, S.' 30 3 'Reiman, D.' 31 3 'Clancy, E.' 32 3 'Zielinski, M.' 33 3 'Steinegger, M.' 34 3 'Pacholska, M.' 35 3 'Berghammer, T.' 36 3 'Bodenstein, S.' 37 3 'Silver, D.' 38 3 'Vinyals, O.' 39 3 'Senior, A.W.' 40 3 'Kavukcuoglu, K.' 41 3 'Kohli, P.' 42 3 'Hassabis, D.' 43 loop_ _software.pdbx_ordinal _software.name _software.classification _software.description _software.version _software.type _software.location _software.citation_id 1 ColabFold 'model building' 'Structure prediction' 1.2.0 package https://github.com/sokrypton/ColabFold 1 2 MMseqs2 'data collection' 'Many-against-Many sequence searching' . package https://github.com/soedinglab/mmseqs2 2 3 AlphaFold 'model building' 'Structure prediction' . package https://github.com/deepmind/alphafold 3 loop_ _ma_software_parameter.parameter_id _ma_software_parameter.group_id _ma_software_parameter.data_type _ma_software_parameter.name _ma_software_parameter.value _ma_software_parameter.description 1 1 boolean use_templates NO . 2 1 boolean use_amber NO . 3 1 string msa_mode 'MMseqs2 (UniRef+Environmental)' . 4 1 string model_type AlphaFold2-ptm . 5 1 integer num_models 5 . 6 1 integer num_recycles 3 . 7 1 integer-csv model_order 3,4,5,1,2 . 8 1 boolean keep_existing_results YES . 9 1 string rank_by plddt . 10 1 string pair_mode unpaired+paired . 11 1 string host_url https://api.colabfold.com . 12 1 float 'stop_at_score' 85.000 . 13 1 float recompile_padding 1.100 . 14 1 boolean recompile_all_models NO . 15 1 string commit 0a7b11137dda693263f2eebd8c83f7b91af301f0 . 16 1 string version 1.2.0 . 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 1 2 1 2 . 3 1 3 . loop_ _audit_author.name _audit_author.pdbx_ordinal 'Papadopoulos, Nikolaos' 1 'Ruperti, Fabian' 2 'Musser, Jacob' 3 'Mirdita, Milot' 4 'Steinegger, Martin' 5 'Arendt, Detlev' 6 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 'Spongilla lacustris c100000_g3_i1 protein' 54259.340 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 6055 'Spongilla lacustris (Freshwater sponge)' . . 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 ;PWHTPRATSSPPPPLSRDWHSGTLIRDPALSSQDSTLALTLSRSQDDHTSIQDDHTSINTLRPDDSFNRL HDSYSQEDRLMPTSHSQPDFSYHMDSHSPQDTLKHGGGKRDELASSGSQIAVEDFHVSVSPKSYRRSFSG ASPGASSLLHPKESRSPPRIKRRGSQDIKGSDSFHGRQDPAWGRGGQQPQQQPQGGVRSERSSVSSNDTS EHLPQQHRDYLEEAMAKRGQDWTHPSMMPNAWRPYPPEYLSSSLPYQPSDRYPMDPRLLSLQHKDSLRGR YPGYAPRPHPRGGQYPGGEEQPHTLMRSRSHDRALDEEPRFVQPGHYPGPYHRPQMFEEGPPVDYYLSQP TASYERPPPHPFHHNPMMGYDMKVVMGGPSGYTLSQPIPMGMYSGGGGGGGGRGKGRRRRRKVRHC ; ;PWHTPRATSSPPPPLSRDWHSGTLIRDPALSSQDSTLALTLSRSQDDHTSIQDDHTSINTLRPDDSFNRL HDSYSQEDRLMPTSHSQPDFSYHMDSHSPQDTLKHGGGKRDELASSGSQIAVEDFHVSVSPKSYRRSFSG ASPGASSLLHPKESRSPPRIKRRGSQDIKGSDSFHGRQDPAWGRGGQQPQQQPQGGVRSERSSVSSNDTS EHLPQQHRDYLEEAMAKRGQDWTHPSMMPNAWRPYPPEYLSSSLPYQPSDRYPMDPRLLSLQHKDSLRGR YPGYAPRPHPRGGQYPGGEEQPHTLMRSRSHDRALDEEPRFVQPGHYPGPYHRPQMFEEGPPVDYYLSQP TASYERPPPHPFHHNPMMGYDMKVVMGGPSGYTLSQPIPMGMYSGGGGGGGGRGKGRRRRRKVRHC ; loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 PRO . 1 2 TRP . 1 3 HIS . 1 4 THR . 1 5 PRO . 1 6 ARG . 1 7 ALA . 1 8 THR . 1 9 SER . 1 10 SER . 1 11 PRO . 1 12 PRO . 1 13 PRO . 1 14 PRO . 1 15 LEU . 1 16 SER . 1 17 ARG . 1 18 ASP . 1 19 TRP . 1 20 HIS . 1 21 SER . 1 22 GLY . 1 23 THR . 1 24 LEU . 1 25 ILE . 1 26 ARG . 1 27 ASP . 1 28 PRO . 1 29 ALA . 1 30 LEU . 1 31 SER . 1 32 SER . 1 33 GLN . 1 34 ASP . 1 35 SER . 1 36 THR . 1 37 LEU . 1 38 ALA . 1 39 LEU . 1 40 THR . 1 41 LEU . 1 42 SER . 1 43 ARG . 1 44 SER . 1 45 GLN . 1 46 ASP . 1 47 ASP . 1 48 HIS . 1 49 THR . 1 50 SER . 1 51 ILE . 1 52 GLN . 1 53 ASP . 1 54 ASP . 1 55 HIS . 1 56 THR . 1 57 SER . 1 58 ILE . 1 59 ASN . 1 60 THR . 1 61 LEU . 1 62 ARG . 1 63 PRO . 1 64 ASP . 1 65 ASP . 1 66 SER . 1 67 PHE . 1 68 ASN . 1 69 ARG . 1 70 LEU . 1 71 HIS . 1 72 ASP . 1 73 SER . 1 74 TYR . 1 75 SER . 1 76 GLN . 1 77 GLU . 1 78 ASP . 1 79 ARG . 1 80 LEU . 1 81 MET . 1 82 PRO . 1 83 THR . 1 84 SER . 1 85 HIS . 1 86 SER . 1 87 GLN . 1 88 PRO . 1 89 ASP . 1 90 PHE . 1 91 SER . 1 92 TYR . 1 93 HIS . 1 94 MET . 1 95 ASP . 1 96 SER . 1 97 HIS . 1 98 SER . 1 99 PRO . 1 100 GLN . 1 101 ASP . 1 102 THR . 1 103 LEU . 1 104 LYS . 1 105 HIS . 1 106 GLY . 1 107 GLY . 1 108 GLY . 1 109 LYS . 1 110 ARG . 1 111 ASP . 1 112 GLU . 1 113 LEU . 1 114 ALA . 1 115 SER . 1 116 SER . 1 117 GLY . 1 118 SER . 1 119 GLN . 1 120 ILE . 1 121 ALA . 1 122 VAL . 1 123 GLU . 1 124 ASP . 1 125 PHE . 1 126 HIS . 1 127 VAL . 1 128 SER . 1 129 VAL . 1 130 SER . 1 131 PRO . 1 132 LYS . 1 133 SER . 1 134 TYR . 1 135 ARG . 1 136 ARG . 1 137 SER . 1 138 PHE . 1 139 SER . 1 140 GLY . 1 141 ALA . 1 142 SER . 1 143 PRO . 1 144 GLY . 1 145 ALA . 1 146 SER . 1 147 SER . 1 148 LEU . 1 149 LEU . 1 150 HIS . 1 151 PRO . 1 152 LYS . 1 153 GLU . 1 154 SER . 1 155 ARG . 1 156 SER . 1 157 PRO . 1 158 PRO . 1 159 ARG . 1 160 ILE . 1 161 LYS . 1 162 ARG . 1 163 ARG . 1 164 GLY . 1 165 SER . 1 166 GLN . 1 167 ASP . 1 168 ILE . 1 169 LYS . 1 170 GLY . 1 171 SER . 1 172 ASP . 1 173 SER . 1 174 PHE . 1 175 HIS . 1 176 GLY . 1 177 ARG . 1 178 GLN . 1 179 ASP . 1 180 PRO . 1 181 ALA . 1 182 TRP . 1 183 GLY . 1 184 ARG . 1 185 GLY . 1 186 GLY . 1 187 GLN . 1 188 GLN . 1 189 PRO . 1 190 GLN . 1 191 GLN . 1 192 GLN . 1 193 PRO . 1 194 GLN . 1 195 GLY . 1 196 GLY . 1 197 VAL . 1 198 ARG . 1 199 SER . 1 200 GLU . 1 201 ARG . 1 202 SER . 1 203 SER . 1 204 VAL . 1 205 SER . 1 206 SER . 1 207 ASN . 1 208 ASP . 1 209 THR . 1 210 SER . 1 211 GLU . 1 212 HIS . 1 213 LEU . 1 214 PRO . 1 215 GLN . 1 216 GLN . 1 217 HIS . 1 218 ARG . 1 219 ASP . 1 220 TYR . 1 221 LEU . 1 222 GLU . 1 223 GLU . 1 224 ALA . 1 225 MET . 1 226 ALA . 1 227 LYS . 1 228 ARG . 1 229 GLY . 1 230 GLN . 1 231 ASP . 1 232 TRP . 1 233 THR . 1 234 HIS . 1 235 PRO . 1 236 SER . 1 237 MET . 1 238 MET . 1 239 PRO . 1 240 ASN . 1 241 ALA . 1 242 TRP . 1 243 ARG . 1 244 PRO . 1 245 TYR . 1 246 PRO . 1 247 PRO . 1 248 GLU . 1 249 TYR . 1 250 LEU . 1 251 SER . 1 252 SER . 1 253 SER . 1 254 LEU . 1 255 PRO . 1 256 TYR . 1 257 GLN . 1 258 PRO . 1 259 SER . 1 260 ASP . 1 261 ARG . 1 262 TYR . 1 263 PRO . 1 264 MET . 1 265 ASP . 1 266 PRO . 1 267 ARG . 1 268 LEU . 1 269 LEU . 1 270 SER . 1 271 LEU . 1 272 GLN . 1 273 HIS . 1 274 LYS . 1 275 ASP . 1 276 SER . 1 277 LEU . 1 278 ARG . 1 279 GLY . 1 280 ARG . 1 281 TYR . 1 282 PRO . 1 283 GLY . 1 284 TYR . 1 285 ALA . 1 286 PRO . 1 287 ARG . 1 288 PRO . 1 289 HIS . 1 290 PRO . 1 291 ARG . 1 292 GLY . 1 293 GLY . 1 294 GLN . 1 295 TYR . 1 296 PRO . 1 297 GLY . 1 298 GLY . 1 299 GLU . 1 300 GLU . 1 301 GLN . 1 302 PRO . 1 303 HIS . 1 304 THR . 1 305 LEU . 1 306 MET . 1 307 ARG . 1 308 SER . 1 309 ARG . 1 310 SER . 1 311 HIS . 1 312 ASP . 1 313 ARG . 1 314 ALA . 1 315 LEU . 1 316 ASP . 1 317 GLU . 1 318 GLU . 1 319 PRO . 1 320 ARG . 1 321 PHE . 1 322 VAL . 1 323 GLN . 1 324 PRO . 1 325 GLY . 1 326 HIS . 1 327 TYR . 1 328 PRO . 1 329 GLY . 1 330 PRO . 1 331 TYR . 1 332 HIS . 1 333 ARG . 1 334 PRO . 1 335 GLN . 1 336 MET . 1 337 PHE . 1 338 GLU . 1 339 GLU . 1 340 GLY . 1 341 PRO . 1 342 PRO . 1 343 VAL . 1 344 ASP . 1 345 TYR . 1 346 TYR . 1 347 LEU . 1 348 SER . 1 349 GLN . 1 350 PRO . 1 351 THR . 1 352 ALA . 1 353 SER . 1 354 TYR . 1 355 GLU . 1 356 ARG . 1 357 PRO . 1 358 PRO . 1 359 PRO . 1 360 HIS . 1 361 PRO . 1 362 PHE . 1 363 HIS . 1 364 HIS . 1 365 ASN . 1 366 PRO . 1 367 MET . 1 368 MET . 1 369 GLY . 1 370 TYR . 1 371 ASP . 1 372 MET . 1 373 LYS . 1 374 VAL . 1 375 VAL . 1 376 MET . 1 377 GLY . 1 378 GLY . 1 379 PRO . 1 380 SER . 1 381 GLY . 1 382 TYR . 1 383 THR . 1 384 LEU . 1 385 SER . 1 386 GLN . 1 387 PRO . 1 388 ILE . 1 389 PRO . 1 390 MET . 1 391 GLY . 1 392 MET . 1 393 TYR . 1 394 SER . 1 395 GLY . 1 396 GLY . 1 397 GLY . 1 398 GLY . 1 399 GLY . 1 400 GLY . 1 401 GLY . 1 402 GLY . 1 403 ARG . 1 404 GLY . 1 405 LYS . 1 406 GLY . 1 407 ARG . 1 408 ARG . 1 409 ARG . 1 410 ARG . 1 411 ARG . 1 412 LYS . 1 413 VAL . 1 414 ARG . 1 415 HIS . 1 416 CYS . loop_ _struct_asym.id _struct_asym.entity_id _struct_asym.details A 1 . 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 PRO 1 1 PRO PRO A . A 1 2 TRP 2 2 TRP TRP A . A 1 3 HIS 3 3 HIS HIS A . A 1 4 THR 4 4 THR THR A . A 1 5 PRO 5 5 PRO PRO A . A 1 6 ARG 6 6 ARG ARG A . A 1 7 ALA 7 7 ALA ALA A . A 1 8 THR 8 8 THR THR A . A 1 9 SER 9 9 SER SER A . A 1 10 SER 10 10 SER SER A . A 1 11 PRO 11 11 PRO PRO A . A 1 12 PRO 12 12 PRO PRO A . A 1 13 PRO 13 13 PRO PRO A . A 1 14 PRO 14 14 PRO PRO A . A 1 15 LEU 15 15 LEU LEU A . A 1 16 SER 16 16 SER SER A . A 1 17 ARG 17 17 ARG ARG A . A 1 18 ASP 18 18 ASP ASP A . A 1 19 TRP 19 19 TRP TRP A . A 1 20 HIS 20 20 HIS HIS A . A 1 21 SER 21 21 SER SER A . A 1 22 GLY 22 22 GLY GLY A . A 1 23 THR 23 23 THR THR A . A 1 24 LEU 24 24 LEU LEU A . A 1 25 ILE 25 25 ILE ILE A . A 1 26 ARG 26 26 ARG ARG A . A 1 27 ASP 27 27 ASP ASP A . A 1 28 PRO 28 28 PRO PRO A . A 1 29 ALA 29 29 ALA ALA A . A 1 30 LEU 30 30 LEU LEU A . A 1 31 SER 31 31 SER SER A . A 1 32 SER 32 32 SER SER A . A 1 33 GLN 33 33 GLN GLN A . A 1 34 ASP 34 34 ASP ASP A . A 1 35 SER 35 35 SER SER A . A 1 36 THR 36 36 THR THR A . A 1 37 LEU 37 37 LEU LEU A . A 1 38 ALA 38 38 ALA ALA A . A 1 39 LEU 39 39 LEU LEU A . A 1 40 THR 40 40 THR THR A . A 1 41 LEU 41 41 LEU LEU A . A 1 42 SER 42 42 SER SER A . A 1 43 ARG 43 43 ARG ARG A . A 1 44 SER 44 44 SER SER A . A 1 45 GLN 45 45 GLN GLN A . A 1 46 ASP 46 46 ASP ASP A . A 1 47 ASP 47 47 ASP ASP A . A 1 48 HIS 48 48 HIS HIS A . A 1 49 THR 49 49 THR THR A . A 1 50 SER 50 50 SER SER A . A 1 51 ILE 51 51 ILE ILE A . A 1 52 GLN 52 52 GLN GLN A . A 1 53 ASP 53 53 ASP ASP A . A 1 54 ASP 54 54 ASP ASP A . A 1 55 HIS 55 55 HIS HIS A . A 1 56 THR 56 56 THR THR A . A 1 57 SER 57 57 SER SER A . A 1 58 ILE 58 58 ILE ILE A . A 1 59 ASN 59 59 ASN ASN A . A 1 60 THR 60 60 THR THR A . A 1 61 LEU 61 61 LEU LEU A . A 1 62 ARG 62 62 ARG ARG A . A 1 63 PRO 63 63 PRO PRO A . A 1 64 ASP 64 64 ASP ASP A . A 1 65 ASP 65 65 ASP ASP A . A 1 66 SER 66 66 SER SER A . A 1 67 PHE 67 67 PHE PHE A . A 1 68 ASN 68 68 ASN ASN A . A 1 69 ARG 69 69 ARG ARG A . A 1 70 LEU 70 70 LEU LEU A . A 1 71 HIS 71 71 HIS HIS A . A 1 72 ASP 72 72 ASP ASP A . A 1 73 SER 73 73 SER SER A . A 1 74 TYR 74 74 TYR TYR A . A 1 75 SER 75 75 SER SER A . A 1 76 GLN 76 76 GLN GLN A . A 1 77 GLU 77 77 GLU GLU A . A 1 78 ASP 78 78 ASP ASP A . A 1 79 ARG 79 79 ARG ARG A . A 1 80 LEU 80 80 LEU LEU A . A 1 81 MET 81 81 MET MET A . A 1 82 PRO 82 82 PRO PRO A . A 1 83 THR 83 83 THR THR A . A 1 84 SER 84 84 SER SER A . A 1 85 HIS 85 85 HIS HIS A . A 1 86 SER 86 86 SER SER A . A 1 87 GLN 87 87 GLN GLN A . A 1 88 PRO 88 88 PRO PRO A . A 1 89 ASP 89 89 ASP ASP A . A 1 90 PHE 90 90 PHE PHE A . A 1 91 SER 91 91 SER SER A . A 1 92 TYR 92 92 TYR TYR A . A 1 93 HIS 93 93 HIS HIS A . A 1 94 MET 94 94 MET MET A . A 1 95 ASP 95 95 ASP ASP A . A 1 96 SER 96 96 SER SER A . A 1 97 HIS 97 97 HIS HIS A . A 1 98 SER 98 98 SER SER A . A 1 99 PRO 99 99 PRO PRO A . A 1 100 GLN 100 100 GLN GLN A . A 1 101 ASP 101 101 ASP ASP A . A 1 102 THR 102 102 THR THR A . A 1 103 LEU 103 103 LEU LEU A . A 1 104 LYS 104 104 LYS LYS A . A 1 105 HIS 105 105 HIS HIS A . A 1 106 GLY 106 106 GLY GLY A . A 1 107 GLY 107 107 GLY GLY A . A 1 108 GLY 108 108 GLY GLY A . A 1 109 LYS 109 109 LYS LYS A . A 1 110 ARG 110 110 ARG ARG A . A 1 111 ASP 111 111 ASP ASP A . A 1 112 GLU 112 112 GLU GLU A . A 1 113 LEU 113 113 LEU LEU A . A 1 114 ALA 114 114 ALA ALA A . A 1 115 SER 115 115 SER SER A . A 1 116 SER 116 116 SER SER A . A 1 117 GLY 117 117 GLY GLY A . A 1 118 SER 118 118 SER SER A . A 1 119 GLN 119 119 GLN GLN A . A 1 120 ILE 120 120 ILE ILE A . A 1 121 ALA 121 121 ALA ALA A . A 1 122 VAL 122 122 VAL VAL A . A 1 123 GLU 123 123 GLU GLU A . A 1 124 ASP 124 124 ASP ASP A . A 1 125 PHE 125 125 PHE PHE A . A 1 126 HIS 126 126 HIS HIS A . A 1 127 VAL 127 127 VAL VAL A . A 1 128 SER 128 128 SER SER A . A 1 129 VAL 129 129 VAL VAL A . A 1 130 SER 130 130 SER SER A . A 1 131 PRO 131 131 PRO PRO A . A 1 132 LYS 132 132 LYS LYS A . A 1 133 SER 133 133 SER SER A . A 1 134 TYR 134 134 TYR TYR A . A 1 135 ARG 135 135 ARG ARG A . A 1 136 ARG 136 136 ARG ARG A . A 1 137 SER 137 137 SER SER A . A 1 138 PHE 138 138 PHE PHE A . A 1 139 SER 139 139 SER SER A . A 1 140 GLY 140 140 GLY GLY A . A 1 141 ALA 141 141 ALA ALA A . A 1 142 SER 142 142 SER SER A . A 1 143 PRO 143 143 PRO PRO A . A 1 144 GLY 144 144 GLY GLY A . A 1 145 ALA 145 145 ALA ALA A . A 1 146 SER 146 146 SER SER A . A 1 147 SER 147 147 SER SER A . A 1 148 LEU 148 148 LEU LEU A . A 1 149 LEU 149 149 LEU LEU A . A 1 150 HIS 150 150 HIS HIS A . A 1 151 PRO 151 151 PRO PRO A . A 1 152 LYS 152 152 LYS LYS A . A 1 153 GLU 153 153 GLU GLU A . A 1 154 SER 154 154 SER SER A . A 1 155 ARG 155 155 ARG ARG A . A 1 156 SER 156 156 SER SER A . A 1 157 PRO 157 157 PRO PRO A . A 1 158 PRO 158 158 PRO PRO A . A 1 159 ARG 159 159 ARG ARG A . A 1 160 ILE 160 160 ILE ILE A . A 1 161 LYS 161 161 LYS LYS A . A 1 162 ARG 162 162 ARG ARG A . A 1 163 ARG 163 163 ARG ARG A . A 1 164 GLY 164 164 GLY GLY A . A 1 165 SER 165 165 SER SER A . A 1 166 GLN 166 166 GLN GLN A . A 1 167 ASP 167 167 ASP ASP A . A 1 168 ILE 168 168 ILE ILE A . A 1 169 LYS 169 169 LYS LYS A . A 1 170 GLY 170 170 GLY GLY A . A 1 171 SER 171 171 SER SER A . A 1 172 ASP 172 172 ASP ASP A . A 1 173 SER 173 173 SER SER A . A 1 174 PHE 174 174 PHE PHE A . A 1 175 HIS 175 175 HIS HIS A . A 1 176 GLY 176 176 GLY GLY A . A 1 177 ARG 177 177 ARG ARG A . A 1 178 GLN 178 178 GLN GLN A . A 1 179 ASP 179 179 ASP ASP A . A 1 180 PRO 180 180 PRO PRO A . A 1 181 ALA 181 181 ALA ALA A . A 1 182 TRP 182 182 TRP TRP A . A 1 183 GLY 183 183 GLY GLY A . A 1 184 ARG 184 184 ARG ARG A . A 1 185 GLY 185 185 GLY GLY A . A 1 186 GLY 186 186 GLY GLY A . A 1 187 GLN 187 187 GLN GLN A . A 1 188 GLN 188 188 GLN GLN A . A 1 189 PRO 189 189 PRO PRO A . A 1 190 GLN 190 190 GLN GLN A . A 1 191 GLN 191 191 GLN GLN A . A 1 192 GLN 192 192 GLN GLN A . A 1 193 PRO 193 193 PRO PRO A . A 1 194 GLN 194 194 GLN GLN A . A 1 195 GLY 195 195 GLY GLY A . A 1 196 GLY 196 196 GLY GLY A . A 1 197 VAL 197 197 VAL VAL A . A 1 198 ARG 198 198 ARG ARG A . A 1 199 SER 199 199 SER SER A . A 1 200 GLU 200 200 GLU GLU A . A 1 201 ARG 201 201 ARG ARG A . A 1 202 SER 202 202 SER SER A . A 1 203 SER 203 203 SER SER A . A 1 204 VAL 204 204 VAL VAL A . A 1 205 SER 205 205 SER SER A . A 1 206 SER 206 206 SER SER A . A 1 207 ASN 207 207 ASN ASN A . A 1 208 ASP 208 208 ASP ASP A . A 1 209 THR 209 209 THR THR A . A 1 210 SER 210 210 SER SER A . A 1 211 GLU 211 211 GLU GLU A . A 1 212 HIS 212 212 HIS HIS A . A 1 213 LEU 213 213 LEU LEU A . A 1 214 PRO 214 214 PRO PRO A . A 1 215 GLN 215 215 GLN GLN A . A 1 216 GLN 216 216 GLN GLN A . A 1 217 HIS 217 217 HIS HIS A . A 1 218 ARG 218 218 ARG ARG A . A 1 219 ASP 219 219 ASP ASP A . A 1 220 TYR 220 220 TYR TYR A . A 1 221 LEU 221 221 LEU LEU A . A 1 222 GLU 222 222 GLU GLU A . A 1 223 GLU 223 223 GLU GLU A . A 1 224 ALA 224 224 ALA ALA A . A 1 225 MET 225 225 MET MET A . A 1 226 ALA 226 226 ALA ALA A . A 1 227 LYS 227 227 LYS LYS A . A 1 228 ARG 228 228 ARG ARG A . A 1 229 GLY 229 229 GLY GLY A . A 1 230 GLN 230 230 GLN GLN A . A 1 231 ASP 231 231 ASP ASP A . A 1 232 TRP 232 232 TRP TRP A . A 1 233 THR 233 233 THR THR A . A 1 234 HIS 234 234 HIS HIS A . A 1 235 PRO 235 235 PRO PRO A . A 1 236 SER 236 236 SER SER A . A 1 237 MET 237 237 MET MET A . A 1 238 MET 238 238 MET MET A . A 1 239 PRO 239 239 PRO PRO A . A 1 240 ASN 240 240 ASN ASN A . A 1 241 ALA 241 241 ALA ALA A . A 1 242 TRP 242 242 TRP TRP A . A 1 243 ARG 243 243 ARG ARG A . A 1 244 PRO 244 244 PRO PRO A . A 1 245 TYR 245 245 TYR TYR A . A 1 246 PRO 246 246 PRO PRO A . A 1 247 PRO 247 247 PRO PRO A . A 1 248 GLU 248 248 GLU GLU A . A 1 249 TYR 249 249 TYR TYR A . A 1 250 LEU 250 250 LEU LEU A . A 1 251 SER 251 251 SER SER A . A 1 252 SER 252 252 SER SER A . A 1 253 SER 253 253 SER SER A . A 1 254 LEU 254 254 LEU LEU A . A 1 255 PRO 255 255 PRO PRO A . A 1 256 TYR 256 256 TYR TYR A . A 1 257 GLN 257 257 GLN GLN A . A 1 258 PRO 258 258 PRO PRO A . A 1 259 SER 259 259 SER SER A . A 1 260 ASP 260 260 ASP ASP A . A 1 261 ARG 261 261 ARG ARG A . A 1 262 TYR 262 262 TYR TYR A . A 1 263 PRO 263 263 PRO PRO A . A 1 264 MET 264 264 MET MET A . A 1 265 ASP 265 265 ASP ASP A . A 1 266 PRO 266 266 PRO PRO A . A 1 267 ARG 267 267 ARG ARG A . A 1 268 LEU 268 268 LEU LEU A . A 1 269 LEU 269 269 LEU LEU A . A 1 270 SER 270 270 SER SER A . A 1 271 LEU 271 271 LEU LEU A . A 1 272 GLN 272 272 GLN GLN A . A 1 273 HIS 273 273 HIS HIS A . A 1 274 LYS 274 274 LYS LYS A . A 1 275 ASP 275 275 ASP ASP A . A 1 276 SER 276 276 SER SER A . A 1 277 LEU 277 277 LEU LEU A . A 1 278 ARG 278 278 ARG ARG A . A 1 279 GLY 279 279 GLY GLY A . A 1 280 ARG 280 280 ARG ARG A . A 1 281 TYR 281 281 TYR TYR A . A 1 282 PRO 282 282 PRO PRO A . A 1 283 GLY 283 283 GLY GLY A . A 1 284 TYR 284 284 TYR TYR A . A 1 285 ALA 285 285 ALA ALA A . A 1 286 PRO 286 286 PRO PRO A . A 1 287 ARG 287 287 ARG ARG A . A 1 288 PRO 288 288 PRO PRO A . A 1 289 HIS 289 289 HIS HIS A . A 1 290 PRO 290 290 PRO PRO A . A 1 291 ARG 291 291 ARG ARG A . A 1 292 GLY 292 292 GLY GLY A . A 1 293 GLY 293 293 GLY GLY A . A 1 294 GLN 294 294 GLN GLN A . A 1 295 TYR 295 295 TYR TYR A . A 1 296 PRO 296 296 PRO PRO A . A 1 297 GLY 297 297 GLY GLY A . A 1 298 GLY 298 298 GLY GLY A . A 1 299 GLU 299 299 GLU GLU A . A 1 300 GLU 300 300 GLU GLU A . A 1 301 GLN 301 301 GLN GLN A . A 1 302 PRO 302 302 PRO PRO A . A 1 303 HIS 303 303 HIS HIS A . A 1 304 THR 304 304 THR THR A . A 1 305 LEU 305 305 LEU LEU A . A 1 306 MET 306 306 MET MET A . A 1 307 ARG 307 307 ARG ARG A . A 1 308 SER 308 308 SER SER A . A 1 309 ARG 309 309 ARG ARG A . A 1 310 SER 310 310 SER SER A . A 1 311 HIS 311 311 HIS HIS A . A 1 312 ASP 312 312 ASP ASP A . A 1 313 ARG 313 313 ARG ARG A . A 1 314 ALA 314 314 ALA ALA A . A 1 315 LEU 315 315 LEU LEU A . A 1 316 ASP 316 316 ASP ASP A . A 1 317 GLU 317 317 GLU GLU A . A 1 318 GLU 318 318 GLU GLU A . A 1 319 PRO 319 319 PRO PRO A . A 1 320 ARG 320 320 ARG ARG A . A 1 321 PHE 321 321 PHE PHE A . A 1 322 VAL 322 322 VAL VAL A . A 1 323 GLN 323 323 GLN GLN A . A 1 324 PRO 324 324 PRO PRO A . A 1 325 GLY 325 325 GLY GLY A . A 1 326 HIS 326 326 HIS HIS A . A 1 327 TYR 327 327 TYR TYR A . A 1 328 PRO 328 328 PRO PRO A . A 1 329 GLY 329 329 GLY GLY A . A 1 330 PRO 330 330 PRO PRO A . A 1 331 TYR 331 331 TYR TYR A . A 1 332 HIS 332 332 HIS HIS A . A 1 333 ARG 333 333 ARG ARG A . A 1 334 PRO 334 334 PRO PRO A . A 1 335 GLN 335 335 GLN GLN A . A 1 336 MET 336 336 MET MET A . A 1 337 PHE 337 337 PHE PHE A . A 1 338 GLU 338 338 GLU GLU A . A 1 339 GLU 339 339 GLU GLU A . A 1 340 GLY 340 340 GLY GLY A . A 1 341 PRO 341 341 PRO PRO A . A 1 342 PRO 342 342 PRO PRO A . A 1 343 VAL 343 343 VAL VAL A . A 1 344 ASP 344 344 ASP ASP A . A 1 345 TYR 345 345 TYR TYR A . A 1 346 TYR 346 346 TYR TYR A . A 1 347 LEU 347 347 LEU LEU A . A 1 348 SER 348 348 SER SER A . A 1 349 GLN 349 349 GLN GLN A . A 1 350 PRO 350 350 PRO PRO A . A 1 351 THR 351 351 THR THR A . A 1 352 ALA 352 352 ALA ALA A . A 1 353 SER 353 353 SER SER A . A 1 354 TYR 354 354 TYR TYR A . A 1 355 GLU 355 355 GLU GLU A . A 1 356 ARG 356 356 ARG ARG A . A 1 357 PRO 357 357 PRO PRO A . A 1 358 PRO 358 358 PRO PRO A . A 1 359 PRO 359 359 PRO PRO A . A 1 360 HIS 360 360 HIS HIS A . A 1 361 PRO 361 361 PRO PRO A . A 1 362 PHE 362 362 PHE PHE A . A 1 363 HIS 363 363 HIS HIS A . A 1 364 HIS 364 364 HIS HIS A . A 1 365 ASN 365 365 ASN ASN A . A 1 366 PRO 366 366 PRO PRO A . A 1 367 MET 367 367 MET MET A . A 1 368 MET 368 368 MET MET A . A 1 369 GLY 369 369 GLY GLY A . A 1 370 TYR 370 370 TYR TYR A . A 1 371 ASP 371 371 ASP ASP A . A 1 372 MET 372 372 MET MET A . A 1 373 LYS 373 373 LYS LYS A . A 1 374 VAL 374 374 VAL VAL A . A 1 375 VAL 375 375 VAL VAL A . A 1 376 MET 376 376 MET MET A . A 1 377 GLY 377 377 GLY GLY A . A 1 378 GLY 378 378 GLY GLY A . A 1 379 PRO 379 379 PRO PRO A . A 1 380 SER 380 380 SER SER A . A 1 381 GLY 381 381 GLY GLY A . A 1 382 TYR 382 382 TYR TYR A . A 1 383 THR 383 383 THR THR A . A 1 384 LEU 384 384 LEU LEU A . A 1 385 SER 385 385 SER SER A . A 1 386 GLN 386 386 GLN GLN A . A 1 387 PRO 387 387 PRO PRO A . A 1 388 ILE 388 388 ILE ILE A . A 1 389 PRO 389 389 PRO PRO A . A 1 390 MET 390 390 MET MET A . A 1 391 GLY 391 391 GLY GLY A . A 1 392 MET 392 392 MET MET A . A 1 393 TYR 393 393 TYR TYR A . A 1 394 SER 394 394 SER SER A . A 1 395 GLY 395 395 GLY GLY A . A 1 396 GLY 396 396 GLY GLY A . A 1 397 GLY 397 397 GLY GLY A . A 1 398 GLY 398 398 GLY GLY A . A 1 399 GLY 399 399 GLY GLY A . A 1 400 GLY 400 400 GLY GLY A . A 1 401 GLY 401 401 GLY GLY A . A 1 402 GLY 402 402 GLY GLY A . A 1 403 ARG 403 403 ARG ARG A . A 1 404 GLY 404 404 GLY GLY A . A 1 405 LYS 405 405 LYS LYS A . A 1 406 GLY 406 406 GLY GLY A . A 1 407 ARG 407 407 ARG ARG A . A 1 408 ARG 408 408 ARG ARG A . A 1 409 ARG 409 409 ARG ARG A . A 1 410 ARG 410 410 ARG ARG A . A 1 411 ARG 411 411 ARG ARG A . A 1 412 LYS 412 412 LYS LYS A . A 1 413 VAL 413 413 VAL VAL A . A 1 414 ARG 414 414 ARG ARG A . A 1 415 HIS 415 415 HIS HIS A . A 1 416 CYS 416 416 CYS CYS A . loop_ _ma_data.id _ma_data.name _ma_data.content_type _ma_data.content_type_other_details 1 'Spongilla lacustris c100000_g3_i1 protein' target . 2 'Model 1 (top ranked model)' 'model coordinates' . 3 UniRef30 'reference database' . 4 'ColabFold DB' 'reference database' . loop_ _ma_data_group.ordinal_id _ma_data_group.group_id _ma_data_group.data_id 1 1 1 2 1 3 3 1 4 4 2 2 loop_ _ma_data_ref_db.data_id _ma_data_ref_db.name _ma_data_ref_db.location_url _ma_data_ref_db.version _ma_data_ref_db.release_date 3 UniRef30 http://wwwuser.gwdg.de/~compbiol/colabfold/uniref30_2103.tar.gz 2021_03 . 4 'ColabFold DB' http://wwwuser.gwdg.de/~compbiol/colabfold/colabfold_envdb_202108.tar.gz 2021_08 . loop_ _ma_target_entity.entity_id _ma_target_entity.data_id _ma_target_entity.origin 1 1 designed loop_ _ma_target_entity_instance.asym_id _ma_target_entity_instance.entity_id _ma_target_entity_instance.details A 1 . 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 modeling . 'Model generated using ColabFold v1.2.0 with AlphaFold producing 5 models with 3 recycles each, without model relaxation, without templates, ranked by pLDDT, starting from an MSA from MMseqs2 (UniRef+Environmental).' 1 1 2 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 1 (top ranked model)' . 2 '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 . PRO 1 1 ? A -20.488 -44.146 38.635 1.000 1 A 55.180 1 ATOM 2 C CA . PRO 1 1 ? A -19.191 -43.779 38.062 1.000 1 A 55.180 1 ATOM 3 C C . PRO 1 1 ? A -18.749 -44.726 36.948 1.000 1 A 55.180 1 ATOM 4 O O . PRO 1 1 ? A -18.717 -45.944 37.145 1.000 1 A 55.180 1 ATOM 5 C CB . PRO 1 1 ? A -18.240 -43.863 39.259 1.000 1 A 55.180 1 ATOM 6 C CG . PRO 1 1 ? A -18.946 -44.735 40.247 1.000 1 A 55.180 1 ATOM 7 C CD . PRO 1 1 ? A -20.267 -45.146 39.663 1.000 1 A 55.180 1 ATOM 8 N N . TRP 2 2 ? A -19.302 -44.628 35.724 1.000 1 A 47.860 1 ATOM 9 C CA . TRP 2 2 ? A -18.924 -44.334 34.346 1.000 1 A 47.860 1 ATOM 10 C C . TRP 2 2 ? A -17.480 -44.743 34.078 1.000 1 A 47.860 1 ATOM 11 O O . TRP 2 2 ? A -16.583 -44.430 34.864 1.000 1 A 47.860 1 ATOM 12 C CB . TRP 2 2 ? A -19.111 -42.844 34.044 1.000 1 A 47.860 1 ATOM 13 C CG . TRP 2 2 ? A -20.542 -42.400 34.028 1.000 1 A 47.860 1 ATOM 14 C CD1 . TRP 2 2 ? A -21.322 -42.095 35.109 1.000 1 A 47.860 1 ATOM 15 C CD2 . TRP 2 2 ? A -21.367 -42.216 32.874 1.000 1 A 47.860 1 ATOM 16 N NE1 . TRP 2 2 ? A -22.583 -41.732 34.696 1.000 1 A 47.860 1 ATOM 17 C CE2 . TRP 2 2 ? A -22.637 -41.797 33.330 1.000 1 A 47.860 1 ATOM 18 C CE3 . TRP 2 2 ? A -21.155 -42.363 31.496 1.000 1 A 47.860 1 ATOM 19 C CZ2 . TRP 2 2 ? A -23.691 -41.524 32.455 1.000 1 A 47.860 1 ATOM 20 C CZ3 . TRP 2 2 ? A -22.206 -42.091 30.628 1.000 1 A 47.860 1 ATOM 21 C CH2 . TRP 2 2 ? A -23.457 -41.676 31.113 1.000 1 A 47.860 1 ATOM 22 N N . HIS 3 3 ? A -17.281 -45.629 33.093 1.000 1 A 63.120 1 ATOM 23 C CA . HIS 3 3 ? A -16.705 -45.276 31.800 1.000 1 A 63.120 1 ATOM 24 C C . HIS 3 3 ? A -16.109 -46.499 31.110 1.000 1 A 63.120 1 ATOM 25 O O . HIS 3 3 ? A -15.311 -47.225 31.707 1.000 1 A 63.120 1 ATOM 26 C CB . HIS 3 3 ? A -15.637 -44.194 31.967 1.000 1 A 63.120 1 ATOM 27 C CG . HIS 3 3 ? A -16.198 -42.818 32.131 1.000 1 A 63.120 1 ATOM 28 N ND1 . HIS 3 3 ? A -16.912 -42.181 31.139 1.000 1 A 63.120 1 ATOM 29 C CD2 . HIS 3 3 ? A -16.152 -41.958 33.176 1.000 1 A 63.120 1 ATOM 30 C CE1 . HIS 3 3 ? A -17.280 -40.986 31.567 1.000 1 A 63.120 1 ATOM 31 N NE2 . HIS 3 3 ? A -16.831 -40.825 32.801 1.000 1 A 63.120 1 ATOM 32 N N . THR 4 4 ? A -16.706 -47.002 30.004 1.000 1 A 63.490 1 ATOM 33 C CA . THR 4 4 ? A -16.591 -47.528 28.648 1.000 1 A 63.490 1 ATOM 34 C C . THR 4 4 ? A -15.163 -47.381 28.131 1.000 1 A 63.490 1 ATOM 35 O O . THR 4 4 ? A -14.495 -46.384 28.411 1.000 1 A 63.490 1 ATOM 36 C CB . THR 4 4 ? A -17.563 -46.817 27.689 1.000 1 A 63.490 1 ATOM 37 O OG1 . THR 4 4 ? A -17.606 -45.421 28.009 1.000 1 A 63.490 1 ATOM 38 C CG2 . THR 4 4 ? A -18.969 -47.397 27.802 1.000 1 A 63.490 1 ATOM 39 N N . PRO 5 5 ? A -14.661 -48.414 27.302 1.000 1 A 66.910 1 ATOM 40 C CA . PRO 5 5 ? A -13.869 -47.988 26.146 1.000 1 A 66.910 1 ATOM 41 C C . PRO 5 5 ? A -14.414 -48.530 24.826 1.000 1 A 66.910 1 ATOM 42 O O . PRO 5 5 ? A -15.047 -49.589 24.804 1.000 1 A 66.910 1 ATOM 43 C CB . PRO 5 5 ? A -12.480 -48.561 26.439 1.000 1 A 66.910 1 ATOM 44 C CG . PRO 5 5 ? A -12.741 -49.844 27.160 1.000 1 A 66.910 1 ATOM 45 C CD . PRO 5 5 ? A -14.212 -49.939 27.449 1.000 1 A 66.910 1 ATOM 46 N N . ARG 6 6 ? A -14.697 -47.621 23.859 1.000 1 A 67.620 1 ATOM 47 C CA . ARG 6 6 ? A -14.435 -47.079 22.530 1.000 1 A 67.620 1 ATOM 48 C C . ARG 6 6 ? A -14.178 -48.197 21.524 1.000 1 A 67.620 1 ATOM 49 O O . ARG 6 6 ? A -13.282 -49.020 21.718 1.000 1 A 67.620 1 ATOM 50 C CB . ARG 6 6 ? A -13.242 -46.121 22.565 1.000 1 A 67.620 1 ATOM 51 C CG . ARG 6 6 ? A -13.448 -44.851 21.755 1.000 1 A 67.620 1 ATOM 52 C CD . ARG 6 6 ? A -12.265 -43.902 21.883 1.000 1 A 67.620 1 ATOM 53 N NE . ARG 6 6 ? A -12.367 -42.784 20.950 1.000 1 A 67.620 1 ATOM 54 C CZ . ARG 6 6 ? A -11.331 -42.121 20.445 1.000 1 A 67.620 1 ATOM 55 N NH1 . ARG 6 6 ? A -10.088 -42.453 20.774 1.000 1 A 67.620 1 ATOM 56 N NH2 . ARG 6 6 ? A -11.538 -41.119 19.604 1.000 1 A 67.620 1 ATOM 57 N N . ALA 7 7 ? A -15.154 -48.625 20.710 1.000 1 A 65.800 1 ATOM 58 C CA . ALA 7 7 ? A -15.499 -49.181 19.404 1.000 1 A 65.800 1 ATOM 59 C C . ALA 7 7 ? A -14.965 -48.303 18.276 1.000 1 A 65.800 1 ATOM 60 O O . ALA 7 7 ? A -15.170 -47.087 18.277 1.000 1 A 65.800 1 ATOM 61 C CB . ALA 7 7 ? A -17.011 -49.343 19.278 1.000 1 A 65.800 1 ATOM 62 N N . THR 8 8 ? A -13.886 -48.743 17.554 1.000 1 A 68.190 1 ATOM 63 C CA . THR 8 8 ? A -13.345 -48.567 16.211 1.000 1 A 68.190 1 ATOM 64 C C . THR 8 8 ? A -14.238 -49.244 15.176 1.000 1 A 68.190 1 ATOM 65 O O . THR 8 8 ? A -14.580 -50.420 15.317 1.000 1 A 68.190 1 ATOM 66 C CB . THR 8 8 ? A -11.916 -49.130 16.107 1.000 1 A 68.190 1 ATOM 67 O OG1 . THR 8 8 ? A -11.882 -50.443 16.679 1.000 1 A 68.190 1 ATOM 68 C CG2 . THR 8 8 ? A -10.919 -48.241 16.844 1.000 1 A 68.190 1 ATOM 69 N N . SER 9 9 ? A -15.202 -48.565 14.504 1.000 1 A 60.460 1 ATOM 70 C CA . SER 9 9 ? A -15.988 -48.477 13.277 1.000 1 A 60.460 1 ATOM 71 C C . SER 9 9 ? A -15.090 -48.300 12.057 1.000 1 A 60.460 1 ATOM 72 O O . SER 9 9 ? A -14.226 -47.421 12.038 1.000 1 A 60.460 1 ATOM 73 C CB . SER 9 9 ? A -16.984 -47.319 13.360 1.000 1 A 60.460 1 ATOM 74 O OG . SER 9 9 ? A -16.307 -46.083 13.503 1.000 1 A 60.460 1 ATOM 75 N N . SER 10 10 ? A -14.937 -49.324 11.269 1.000 1 A 68.600 1 ATOM 76 C CA . SER 10 10 ? A -14.926 -49.208 9.815 1.000 1 A 68.600 1 ATOM 77 C C . SER 10 10 ? A -16.222 -49.736 9.208 1.000 1 A 68.600 1 ATOM 78 O O . SER 10 10 ? A -16.731 -50.776 9.629 1.000 1 A 68.600 1 ATOM 79 C CB . SER 10 10 ? A -13.733 -49.962 9.225 1.000 1 A 68.600 1 ATOM 80 O OG . SER 10 10 ? A -12.512 -49.419 9.697 1.000 1 A 68.600 1 ATOM 81 N N . PRO 11 11 ? A -16.696 -49.095 8.065 1.000 1 A 66.990 1 ATOM 82 C CA . PRO 11 11 ? A -17.876 -48.559 7.381 1.000 1 A 66.990 1 ATOM 83 C C . PRO 11 11 ? A -18.604 -49.611 6.548 1.000 1 A 66.990 1 ATOM 84 O O . PRO 11 11 ? A -17.995 -50.596 6.121 1.000 1 A 66.990 1 ATOM 85 C CB . PRO 11 11 ? A -17.296 -47.460 6.488 1.000 1 A 66.990 1 ATOM 86 C CG . PRO 11 11 ? A -15.948 -47.966 6.085 1.000 1 A 66.990 1 ATOM 87 C CD . PRO 11 11 ? A -15.641 -49.196 6.889 1.000 1 A 66.990 1 ATOM 88 N N . PRO 12 12 ? A -20.042 -49.460 6.352 1.000 1 A 65.370 1 ATOM 89 C CA . PRO 12 12 ? A -20.753 -50.477 5.574 1.000 1 A 65.370 1 ATOM 90 C C . PRO 12 12 ? A -20.985 -50.055 4.125 1.000 1 A 65.370 1 ATOM 91 O O . PRO 12 12 ? A -20.821 -48.881 3.786 1.000 1 A 65.370 1 ATOM 92 C CB . PRO 12 12 ? A -22.083 -50.624 6.319 1.000 1 A 65.370 1 ATOM 93 C CG . PRO 12 12 ? A -22.392 -49.251 6.823 1.000 1 A 65.370 1 ATOM 94 C CD . PRO 12 12 ? A -21.192 -48.378 6.595 1.000 1 A 65.370 1 ATOM 95 N N . PRO 13 13 ? A -20.980 -51.156 3.148 1.000 1 A 67.290 1 ATOM 96 C CA . PRO 13 13 ? A -22.183 -50.987 2.329 1.000 1 A 67.290 1 ATOM 97 C C . PRO 13 13 ? A -22.782 -52.318 1.880 1.000 1 A 67.290 1 ATOM 98 O O . PRO 13 13 ? A -22.170 -53.372 2.073 1.000 1 A 67.290 1 ATOM 99 C CB . PRO 13 13 ? A -21.681 -50.182 1.127 1.000 1 A 67.290 1 ATOM 100 C CG . PRO 13 13 ? A -20.291 -50.677 0.890 1.000 1 A 67.290 1 ATOM 101 C CD . PRO 13 13 ? A -19.908 -51.585 2.023 1.000 1 A 67.290 1 ATOM 102 N N . PRO 14 14 ? A -24.002 -52.392 1.178 1.000 1 A 57.810 1 ATOM 103 C CA . PRO 14 14 ? A -25.319 -51.900 0.765 1.000 1 A 57.810 1 ATOM 104 C C . PRO 14 14 ? A -26.349 -53.018 0.626 1.000 1 A 57.810 1 ATOM 105 O O . PRO 14 14 ? A -25.982 -54.188 0.496 1.000 1 A 57.810 1 ATOM 106 C CB . PRO 14 14 ? A -25.041 -51.241 -0.589 1.000 1 A 57.810 1 ATOM 107 C CG . PRO 14 14 ? A -23.974 -52.084 -1.211 1.000 1 A 57.810 1 ATOM 108 C CD . PRO 14 14 ? A -23.507 -53.088 -0.197 1.000 1 A 57.810 1 ATOM 109 N N . LEU 15 15 ? A -27.544 -52.870 1.201 1.000 1 A 51.380 1 ATOM 110 C CA . LEU 15 15 ? A -28.912 -53.371 1.265 1.000 1 A 51.380 1 ATOM 111 C C . LEU 15 15 ? A -29.346 -53.940 -0.082 1.000 1 A 51.380 1 ATOM 112 O O . LEU 15 15 ? A -29.341 -53.231 -1.091 1.000 1 A 51.380 1 ATOM 113 C CB . LEU 15 15 ? A -29.871 -52.258 1.695 1.000 1 A 51.380 1 ATOM 114 C CG . LEU 15 15 ? A -29.774 -51.805 3.152 1.000 1 A 51.380 1 ATOM 115 C CD1 . LEU 15 15 ? A -30.546 -50.506 3.356 1.000 1 A 51.380 1 ATOM 116 C CD2 . LEU 15 15 ? A -30.292 -52.893 4.087 1.000 1 A 51.380 1 ATOM 117 N N . SER 16 16 ? A -29.286 -55.319 -0.264 1.000 1 A 59.960 1 ATOM 118 C CA . SER 16 16 ? A -30.060 -56.129 -1.200 1.000 1 A 59.960 1 ATOM 119 C C . SER 16 16 ? A -30.971 -57.106 -0.464 1.000 1 A 59.960 1 ATOM 120 O O . SER 16 16 ? A -30.502 -57.915 0.339 1.000 1 A 59.960 1 ATOM 121 C CB . SER 16 16 ? A -29.130 -56.896 -2.141 1.000 1 A 59.960 1 ATOM 122 O OG . SER 16 16 ? A -28.556 -56.026 -3.101 1.000 1 A 59.960 1 ATOM 123 N N . ARG 17 17 ? A -32.237 -56.846 -0.210 1.000 1 A 64.320 1 ATOM 124 C CA . ARG 17 17 ? A -33.351 -57.658 0.269 1.000 1 A 64.320 1 ATOM 125 C C . ARG 17 17 ? A -34.154 -58.227 -0.896 1.000 1 A 64.320 1 ATOM 126 O O . ARG 17 17 ? A -34.663 -57.477 -1.731 1.000 1 A 64.320 1 ATOM 127 C CB . ARG 17 17 ? A -34.263 -56.836 1.182 1.000 1 A 64.320 1 ATOM 128 C CG . ARG 17 17 ? A -34.243 -57.281 2.636 1.000 1 A 64.320 1 ATOM 129 C CD . ARG 17 17 ? A -35.095 -56.377 3.515 1.000 1 A 64.320 1 ATOM 130 N NE . ARG 17 17 ? A -35.305 -56.955 4.839 1.000 1 A 64.320 1 ATOM 131 C CZ . ARG 17 17 ? A -35.789 -56.293 5.887 1.000 1 A 64.320 1 ATOM 132 N NH1 . ARG 17 17 ? A -36.125 -55.012 5.784 1.000 1 A 64.320 1 ATOM 133 N NH2 . ARG 17 17 ? A -35.940 -56.917 7.046 1.000 1 A 64.320 1 ATOM 134 N N . ASP 18 18 ? A -33.933 -59.527 -1.285 1.000 1 A 61.830 1 ATOM 135 C CA . ASP 18 18 ? A -34.749 -60.562 -1.913 1.000 1 A 61.830 1 ATOM 136 C C . ASP 18 18 ? A -35.162 -61.626 -0.899 1.000 1 A 61.830 1 ATOM 137 O O . ASP 18 18 ? A -34.309 -62.250 -0.263 1.000 1 A 61.830 1 ATOM 138 C CB . ASP 18 18 ? A -33.994 -61.209 -3.076 1.000 1 A 61.830 1 ATOM 139 C CG . ASP 18 18 ? A -34.008 -60.361 -4.336 1.000 1 A 61.830 1 ATOM 140 O OD1 . ASP 18 18 ? A -34.935 -59.540 -4.509 1.000 1 A 61.830 1 ATOM 141 O OD2 . ASP 18 18 ? A -33.086 -60.518 -5.166 1.000 1 A 61.830 1 ATOM 142 N N . TRP 19 19 ? A -36.465 -61.738 -0.348 1.000 1 A 66.630 1 ATOM 143 C CA . TRP 19 19 ? A -37.062 -62.923 0.258 1.000 1 A 66.630 1 ATOM 144 C C . TRP 19 19 ? A -38.314 -63.351 -0.501 1.000 1 A 66.630 1 ATOM 145 O O . TRP 19 19 ? A -39.211 -62.539 -0.737 1.000 1 A 66.630 1 ATOM 146 C CB . TRP 19 19 ? A -37.405 -62.661 1.727 1.000 1 A 66.630 1 ATOM 147 C CG . TRP 19 19 ? A -36.226 -62.740 2.651 1.000 1 A 66.630 1 ATOM 148 C CD1 . TRP 19 19 ? A -35.292 -61.768 2.880 1.000 1 A 66.630 1 ATOM 149 C CD2 . TRP 19 19 ? A -35.854 -63.855 3.467 1.000 1 A 66.630 1 ATOM 150 N NE1 . TRP 19 19 ? A -34.361 -62.212 3.790 1.000 1 A 66.630 1 ATOM 151 C CE2 . TRP 19 19 ? A -34.683 -63.488 4.166 1.000 1 A 66.630 1 ATOM 152 C CE3 . TRP 19 19 ? A -36.398 -65.129 3.676 1.000 1 A 66.630 1 ATOM 153 C CZ2 . TRP 19 19 ? A -34.045 -64.352 5.060 1.000 1 A 66.630 1 ATOM 154 C CZ3 . TRP 19 19 ? A -35.763 -65.987 4.566 1.000 1 A 66.630 1 ATOM 155 C CH2 . TRP 19 19 ? A -34.598 -65.592 5.246 1.000 1 A 66.630 1 ATOM 156 N N . HIS 20 20 ? A -38.356 -64.458 -1.375 1.000 1 A 63.590 1 ATOM 157 C CA . HIS 20 20 ? A -39.268 -65.531 -1.754 1.000 1 A 63.590 1 ATOM 158 C C . HIS 20 20 ? A -39.098 -66.745 -0.847 1.000 1 A 63.590 1 ATOM 159 O O . HIS 20 20 ? A -37.975 -67.202 -0.618 1.000 1 A 63.590 1 ATOM 160 C CB . HIS 20 20 ? A -39.048 -65.931 -3.214 1.000 1 A 63.590 1 ATOM 161 C CG . HIS 20 20 ? A -39.613 -64.954 -4.195 1.000 1 A 63.590 1 ATOM 162 N ND1 . HIS 20 20 ? A -40.903 -64.477 -4.112 1.000 1 A 63.590 1 ATOM 163 C CD2 . HIS 20 20 ? A -39.059 -64.363 -5.280 1.000 1 A 63.590 1 ATOM 164 C CE1 . HIS 20 20 ? A -41.119 -63.633 -5.107 1.000 1 A 63.590 1 ATOM 165 N NE2 . HIS 20 20 ? A -40.016 -63.546 -5.830 1.000 1 A 63.590 1 ATOM 166 N N . SER 21 21 ? A -40.202 -67.157 -0.003 1.000 1 A 54.940 1 ATOM 167 C CA . SER 21 21 ? A -41.232 -68.189 0.058 1.000 1 A 54.940 1 ATOM 168 C C . SER 21 21 ? A -40.989 -69.145 1.221 1.000 1 A 54.940 1 ATOM 169 O O . SER 21 21 ? A -39.876 -69.644 1.398 1.000 1 A 54.940 1 ATOM 170 C CB . SER 21 21 ? A -41.284 -68.972 -1.255 1.000 1 A 54.940 1 ATOM 171 O OG . SER 21 21 ? A -40.019 -68.971 -1.892 1.000 1 A 54.940 1 ATOM 172 N N . GLY 22 22 ? A -42.022 -69.208 2.198 1.000 1 A 51.390 1 ATOM 173 C CA . GLY 22 22 ? A -42.943 -70.286 2.520 1.000 1 A 51.390 1 ATOM 174 C C . GLY 22 22 ? A -42.684 -70.906 3.880 1.000 1 A 51.390 1 ATOM 175 O O . GLY 22 22 ? A -41.532 -71.149 4.248 1.000 1 A 51.390 1 ATOM 176 N N . THR 23 23 ? A -43.792 -70.830 4.754 1.000 1 A 53.560 1 ATOM 177 C CA . THR 23 23 ? A -44.820 -71.739 5.250 1.000 1 A 53.560 1 ATOM 178 C C . THR 23 23 ? A -44.583 -72.074 6.720 1.000 1 A 53.560 1 ATOM 179 O O . THR 23 23 ? A -43.460 -72.393 7.116 1.000 1 A 53.560 1 ATOM 180 C CB . THR 23 23 ? A -44.861 -73.039 4.425 1.000 1 A 53.560 1 ATOM 181 O OG1 . THR 23 23 ? A -43.588 -73.241 3.799 1.000 1 A 53.560 1 ATOM 182 C CG2 . THR 23 23 ? A -45.939 -72.973 3.348 1.000 1 A 53.560 1 ATOM 183 N N . LEU 24 24 ? A -45.619 -71.727 7.571 1.000 1 A 49.890 1 ATOM 184 C CA . LEU 24 24 ? A -46.668 -72.428 8.304 1.000 1 A 49.890 1 ATOM 185 C C . LEU 24 24 ? A -46.214 -72.753 9.723 1.000 1 A 49.890 1 ATOM 186 O O . LEU 24 24 ? A -45.135 -73.316 9.921 1.000 1 A 49.890 1 ATOM 187 C CB . LEU 24 24 ? A -47.064 -73.714 7.575 1.000 1 A 49.890 1 ATOM 188 C CG . LEU 24 24 ? A -48.270 -73.620 6.639 1.000 1 A 49.890 1 ATOM 189 C CD1 . LEU 24 24 ? A -48.150 -74.642 5.514 1.000 1 A 49.890 1 ATOM 190 C CD2 . LEU 24 24 ? A -49.567 -73.822 7.416 1.000 1 A 49.890 1 ATOM 191 N N . ILE 25 25 ? A -46.956 -72.177 10.719 1.000 1 A 51.570 1 ATOM 192 C CA . ILE 25 25 ? A -47.849 -72.804 11.689 1.000 1 A 51.570 1 ATOM 193 C C . ILE 25 25 ? A -47.442 -72.396 13.103 1.000 1 A 51.570 1 ATOM 194 O O . ILE 25 25 ? A -46.289 -72.579 13.501 1.000 1 A 51.570 1 ATOM 195 C CB . ILE 25 25 ? A -47.842 -74.343 11.551 1.000 1 A 51.570 1 ATOM 196 C CG1 . ILE 25 25 ? A -48.296 -74.756 10.147 1.000 1 A 51.570 1 ATOM 197 C CG2 . ILE 25 25 ? A -48.727 -74.984 12.624 1.000 1 A 51.570 1 ATOM 198 C CD1 . ILE 25 25 ? A -48.406 -76.261 9.949 1.000 1 A 51.570 1 ATOM 199 N N . ARG 26 26 ? A -48.518 -71.692 13.785 1.000 1 A 51.760 1 ATOM 200 C CA . ARG 26 26 ? A -49.564 -72.007 14.753 1.000 1 A 51.760 1 ATOM 201 C C . ARG 26 26 ? A -49.162 -71.567 16.156 1.000 1 A 51.760 1 ATOM 202 O O . ARG 26 26 ? A -48.129 -71.996 16.675 1.000 1 A 51.760 1 ATOM 203 C CB . ARG 26 26 ? A -49.873 -73.506 14.742 1.000 1 A 51.760 1 ATOM 204 C CG . ARG 26 26 ? A -51.260 -73.845 14.220 1.000 1 A 51.760 1 ATOM 205 C CD . ARG 26 26 ? A -51.524 -75.344 14.253 1.000 1 A 51.760 1 ATOM 206 N NE . ARG 26 26 ? A -52.941 -75.646 14.072 1.000 1 A 51.760 1 ATOM 207 C CZ . ARG 26 26 ? A -53.455 -76.872 14.022 1.000 1 A 51.760 1 ATOM 208 N NH1 . ARG 26 26 ? A -52.674 -77.939 14.139 1.000 1 A 51.760 1 ATOM 209 N NH2 . ARG 26 26 ? A -54.759 -77.032 13.853 1.000 1 A 51.760 1 ATOM 210 N N . ASP 27 27 ? A -50.069 -70.669 16.681 1.000 1 A 48.480 1 ATOM 211 C CA . ASP 27 27 ? A -51.242 -70.464 17.525 1.000 1 A 48.480 1 ATOM 212 C C . ASP 27 27 ? A -50.838 -70.194 18.972 1.000 1 A 48.480 1 ATOM 213 O O . ASP 27 27 ? A -49.875 -70.779 19.473 1.000 1 A 48.480 1 ATOM 214 C CB . ASP 27 27 ? A -52.171 -71.679 17.456 1.000 1 A 48.480 1 ATOM 215 C CG . ASP 27 27 ? A -53.171 -71.597 16.316 1.000 1 A 48.480 1 ATOM 216 O OD1 . ASP 27 27 ? A -53.440 -70.482 15.819 1.000 1 A 48.480 1 ATOM 217 O OD2 . ASP 27 27 ? A -53.696 -72.657 15.913 1.000 1 A 48.480 1 ATOM 218 N N . PRO 28 28 ? A -51.965 -69.753 19.784 1.000 1 A 56.000 1 ATOM 219 C CA . PRO 28 28 ? A -53.294 -69.176 19.998 1.000 1 A 56.000 1 ATOM 220 C C . PRO 28 28 ? A -53.557 -68.826 21.460 1.000 1 A 56.000 1 ATOM 221 O O . PRO 28 28 ? A -52.735 -69.130 22.329 1.000 1 A 56.000 1 ATOM 222 C CB . PRO 28 28 ? A -54.239 -70.282 19.522 1.000 1 A 56.000 1 ATOM 223 C CG . PRO 28 28 ? A -53.563 -71.556 19.912 1.000 1 A 56.000 1 ATOM 224 C CD . PRO 28 28 ? A -52.195 -71.229 20.439 1.000 1 A 56.000 1 ATOM 225 N N . ALA 29 29 ? A -54.432 -67.743 21.721 1.000 1 A 48.950 1 ATOM 226 C CA . ALA 29 29 ? A -55.478 -67.917 22.725 1.000 1 A 48.950 1 ATOM 227 C C . ALA 29 29 ? A -55.815 -66.592 23.403 1.000 1 A 48.950 1 ATOM 228 O O . ALA 29 29 ? A -54.918 -65.857 23.822 1.000 1 A 48.950 1 ATOM 229 C CB . ALA 29 29 ? A -55.050 -68.950 23.765 1.000 1 A 48.950 1 ATOM 230 N N . LEU 30 30 ? A -57.088 -66.078 23.147 1.000 1 A 51.110 1 ATOM 231 C CA . LEU 30 30 ? A -58.259 -66.127 24.017 1.000 1 A 51.110 1 ATOM 232 C C . LEU 30 30 ? A -59.154 -64.912 23.793 1.000 1 A 51.110 1 ATOM 233 O O . LEU 30 30 ? A -58.689 -63.772 23.859 1.000 1 A 51.110 1 ATOM 234 C CB . LEU 30 30 ? A -57.833 -66.197 25.486 1.000 1 A 51.110 1 ATOM 235 C CG . LEU 30 30 ? A -57.184 -67.505 25.942 1.000 1 A 51.110 1 ATOM 236 C CD1 . LEU 30 30 ? A -56.598 -67.346 27.341 1.000 1 A 51.110 1 ATOM 237 C CD2 . LEU 30 30 ? A -58.196 -68.645 25.906 1.000 1 A 51.110 1 ATOM 238 N N . SER 31 31 ? A -60.447 -65.154 23.166 1.000 1 A 49.800 1 ATOM 239 C CA . SER 31 31 ? A -61.689 -65.581 23.801 1.000 1 A 49.800 1 ATOM 240 C C . SER 31 31 ? A -62.718 -64.456 23.816 1.000 1 A 49.800 1 ATOM 241 O O . SER 31 31 ? A -62.429 -63.349 24.274 1.000 1 A 49.800 1 ATOM 242 C CB . SER 31 31 ? A -61.424 -66.059 25.230 1.000 1 A 49.800 1 ATOM 243 O OG . SER 31 31 ? A -62.627 -66.097 25.978 1.000 1 A 49.800 1 ATOM 244 N N . SER 32 32 ? A -63.821 -64.647 22.958 1.000 1 A 53.820 1 ATOM 245 C CA . SER 32 32 ? A -65.173 -65.032 23.351 1.000 1 A 53.820 1 ATOM 246 C C . SER 32 32 ? A -66.220 -64.301 22.518 1.000 1 A 53.820 1 ATOM 247 O O . SER 32 32 ? A -66.168 -63.077 22.380 1.000 1 A 53.820 1 ATOM 248 C CB . SER 32 32 ? A -65.402 -64.747 24.836 1.000 1 A 53.820 1 ATOM 249 O OG . SER 32 32 ? A -65.815 -65.920 25.515 1.000 1 A 53.820 1 ATOM 250 N N . GLN 33 33 ? A -67.058 -65.031 21.676 1.000 1 A 53.290 1 ATOM 251 C CA . GLN 33 33 ? A -68.322 -65.743 21.827 1.000 1 A 53.290 1 ATOM 252 C C . GLN 33 33 ? A -69.486 -64.919 21.284 1.000 1 A 53.290 1 ATOM 253 O O . GLN 33 33 ? A -69.622 -63.738 21.609 1.000 1 A 53.290 1 ATOM 254 C CB . GLN 33 33 ? A -68.568 -66.096 23.294 1.000 1 A 53.290 1 ATOM 255 C CG . GLN 33 33 ? A -67.658 -67.197 23.823 1.000 1 A 53.290 1 ATOM 256 C CD . GLN 33 33 ? A -68.173 -67.818 25.108 1.000 1 A 53.290 1 ATOM 257 O OE1 . GLN 33 33 ? A -69.107 -67.302 25.731 1.000 1 A 53.290 1 ATOM 258 N NE2 . GLN 33 33 ? A -67.569 -68.929 25.514 1.000 1 A 53.290 1 ATOM 259 N N . ASP 34 34 ? A -70.221 -65.315 20.168 1.000 1 A 47.660 1 ATOM 260 C CA . ASP 34 34 ? A -71.431 -66.077 19.876 1.000 1 A 47.660 1 ATOM 261 C C . ASP 34 34 ? A -72.682 -65.281 20.239 1.000 1 A 47.660 1 ATOM 262 O O . ASP 34 34 ? A -72.771 -64.717 21.331 1.000 1 A 47.660 1 ATOM 263 C CB . ASP 34 34 ? A -71.420 -67.410 20.628 1.000 1 A 47.660 1 ATOM 264 C CG . ASP 34 34 ? A -70.725 -68.519 19.857 1.000 1 A 47.660 1 ATOM 265 O OD1 . ASP 34 34 ? A -70.492 -68.363 18.639 1.000 1 A 47.660 1 ATOM 266 O OD2 . ASP 34 34 ? A -70.411 -69.561 20.473 1.000 1 A 47.660 1 ATOM 267 N N . SER 35 35 ? A -73.572 -64.999 19.236 1.000 1 A 41.070 1 ATOM 268 C CA . SER 35 35 ? A -74.865 -65.403 18.695 1.000 1 A 41.070 1 ATOM 269 C C . SER 35 35 ? A -75.969 -65.262 19.736 1.000 1 A 41.070 1 ATOM 270 O O . SER 35 35 ? A -75.782 -65.622 20.900 1.000 1 A 41.070 1 ATOM 271 C CB . SER 35 35 ? A -74.809 -66.846 18.192 1.000 1 A 41.070 1 ATOM 272 O OG . SER 35 35 ? A -73.483 -67.344 18.239 1.000 1 A 41.070 1 ATOM 273 N N . THR 36 36 ? A -77.070 -64.400 19.465 1.000 1 A 44.890 1 ATOM 274 C CA . THR 36 36 ? A -78.478 -64.774 19.402 1.000 1 A 44.890 1 ATOM 275 C C . THR 36 36 ? A -79.345 -63.738 20.112 1.000 1 A 44.890 1 ATOM 276 O O . THR 36 36 ? A -79.009 -63.287 21.209 1.000 1 A 44.890 1 ATOM 277 C CB . THR 36 36 ? A -78.717 -66.162 20.025 1.000 1 A 44.890 1 ATOM 278 O OG1 . THR 36 36 ? A -77.965 -66.269 21.241 1.000 1 A 44.890 1 ATOM 279 C CG2 . THR 36 36 ? A -78.285 -67.273 19.075 1.000 1 A 44.890 1 ATOM 280 N N . LEU 37 37 ? A -80.268 -62.954 19.385 1.000 1 A 50.440 1 ATOM 281 C CA . LEU 37 37 ? A -81.715 -62.972 19.568 1.000 1 A 50.440 1 ATOM 282 C C . LEU 37 37 ? A -82.267 -61.554 19.671 1.000 1 A 50.440 1 ATOM 283 O O . LEU 37 37 ? A -81.795 -60.757 20.485 1.000 1 A 50.440 1 ATOM 284 C CB . LEU 37 37 ? A -82.087 -63.770 20.820 1.000 1 A 50.440 1 ATOM 285 C CG . LEU 37 37 ? A -81.870 -65.282 20.751 1.000 1 A 50.440 1 ATOM 286 C CD1 . LEU 37 37 ? A -82.234 -65.932 22.081 1.000 1 A 50.440 1 ATOM 287 C CD2 . LEU 37 37 ? A -82.685 -65.888 19.613 1.000 1 A 50.440 1 ATOM 288 N N . ALA 38 38 ? A -83.006 -60.999 18.544 1.000 1 A 45.050 1 ATOM 289 C CA . ALA 38 38 ? A -84.456 -60.873 18.432 1.000 1 A 45.050 1 ATOM 290 C C . ALA 38 38 ? A -84.955 -59.620 19.146 1.000 1 A 45.050 1 ATOM 291 O O . ALA 38 38 ? A -84.596 -59.371 20.299 1.000 1 A 45.050 1 ATOM 292 C CB . ALA 38 38 ? A -85.143 -62.114 18.999 1.000 1 A 45.050 1 ATOM 293 N N . LEU 39 39 ? A -85.418 -58.596 18.318 1.000 1 A 48.330 1 ATOM 294 C CA . LEU 39 39 ? A -86.792 -58.106 18.269 1.000 1 A 48.330 1 ATOM 295 C C . LEU 39 39 ? A -86.824 -56.600 18.028 1.000 1 A 48.330 1 ATOM 296 O O . LEU 39 39 ? A -86.145 -55.842 18.724 1.000 1 A 48.330 1 ATOM 297 C CB . LEU 39 39 ? A -87.527 -58.443 19.568 1.000 1 A 48.330 1 ATOM 298 C CG . LEU 39 39 ? A -87.905 -59.911 19.773 1.000 1 A 48.330 1 ATOM 299 C CD1 . LEU 39 39 ? A -88.371 -60.144 21.206 1.000 1 A 48.330 1 ATOM 300 C CD2 . LEU 39 39 ? A -88.984 -60.329 18.780 1.000 1 A 48.330 1 ATOM 301 N N . THR 40 40 ? A -87.309 -56.151 16.774 1.000 1 A 46.950 1 ATOM 302 C CA . THR 40 40 ? A -88.657 -55.689 16.460 1.000 1 A 46.950 1 ATOM 303 C C . THR 40 40 ? A -88.660 -54.193 16.163 1.000 1 A 46.950 1 ATOM 304 O O . THR 40 40 ? A -88.091 -53.403 16.919 1.000 1 A 46.950 1 ATOM 305 C CB . THR 40 40 ? A -89.632 -55.988 17.614 1.000 1 A 46.950 1 ATOM 306 O OG1 . THR 40 40 ? A -88.939 -55.867 18.862 1.000 1 A 46.950 1 ATOM 307 C CG2 . THR 40 40 ? A -90.204 -57.398 17.499 1.000 1 A 46.950 1 ATOM 308 N N . LEU 41 41 ? A -88.871 -53.851 14.843 1.000 1 A 47.300 1 ATOM 309 C CA . LEU 41 41 ? A -90.107 -53.303 14.296 1.000 1 A 47.300 1 ATOM 310 C C . LEU 41 41 ? A -89.820 -52.100 13.403 1.000 1 A 47.300 1 ATOM 311 O O . LEU 41 41 ? A -89.191 -51.134 13.840 1.000 1 A 47.300 1 ATOM 312 C CB . LEU 41 41 ? A -91.061 -52.900 15.424 1.000 1 A 47.300 1 ATOM 313 C CG . LEU 41 41 ? A -92.194 -53.878 15.735 1.000 1 A 47.300 1 ATOM 314 C CD1 . LEU 41 41 ? A -92.270 -54.141 17.235 1.000 1 A 47.300 1 ATOM 315 C CD2 . LEU 41 41 ? A -93.523 -53.341 15.213 1.000 1 A 47.300 1 ATOM 316 N N . SER 42 42 ? A -90.049 -52.284 12.016 1.000 1 A 44.060 1 ATOM 317 C CA . SER 42 42 ? A -91.220 -52.040 11.180 1.000 1 A 44.060 1 ATOM 318 C C . SER 42 42 ? A -91.115 -50.701 10.459 1.000 1 A 44.060 1 ATOM 319 O O . SER 42 42 ? A -90.849 -49.672 11.084 1.000 1 A 44.060 1 ATOM 320 C CB . SER 42 42 ? A -92.497 -52.077 12.021 1.000 1 A 44.060 1 ATOM 321 O OG . SER 42 42 ? A -92.631 -53.326 12.677 1.000 1 A 44.060 1 ATOM 322 N N . ARG 43 43 ? A -90.903 -50.700 9.124 1.000 1 A 46.690 1 ATOM 323 C CA . ARG 43 43 ? A -91.974 -50.399 8.180 1.000 1 A 46.690 1 ATOM 324 C C . ARG 43 43 ? A -91.480 -49.485 7.064 1.000 1 A 46.690 1 ATOM 325 O O . ARG 43 43 ? A -90.924 -48.417 7.329 1.000 1 A 46.690 1 ATOM 326 C CB . ARG 43 43 ? A -93.160 -49.753 8.900 1.000 1 A 46.690 1 ATOM 327 C CG . ARG 43 43 ? A -94.493 -49.961 8.199 1.000 1 A 46.690 1 ATOM 328 C CD . ARG 43 43 ? A -95.666 -49.600 9.100 1.000 1 A 46.690 1 ATOM 329 N NE . ARG 43 43 ? A -96.939 -49.696 8.391 1.000 1 A 46.690 1 ATOM 330 C CZ . ARG 43 43 ? A -98.091 -49.195 8.830 1.000 1 A 46.690 1 ATOM 331 N NH1 . ARG 43 43 ? A -98.152 -48.550 9.990 1.000 1 A 46.690 1 ATOM 332 N NH2 . ARG 43 43 ? A -99.190 -49.340 8.105 1.000 1 A 46.690 1 ATOM 333 N N . SER 44 44 ? A -91.413 -50.043 5.764 1.000 1 A 47.370 1 ATOM 334 C CA . SER 44 44 ? A -92.400 -50.186 4.698 1.000 1 A 47.370 1 ATOM 335 C C . SER 44 44 ? A -92.113 -49.229 3.546 1.000 1 A 47.370 1 ATOM 336 O O . SER 44 44 ? A -91.957 -48.024 3.758 1.000 1 A 47.370 1 ATOM 337 C CB . SER 44 44 ? A -93.810 -49.940 5.237 1.000 1 A 47.370 1 ATOM 338 O OG . SER 44 44 ? A -94.761 -49.965 4.186 1.000 1 A 47.370 1 ATOM 339 N N . GLN 45 45 ? A -91.785 -49.694 2.283 1.000 1 A 46.940 1 ATOM 340 C CA . GLN 45 45 ? A -92.583 -50.008 1.102 1.000 1 A 46.940 1 ATOM 341 C C . GLN 45 45 ? A -92.273 -49.049 -0.043 1.000 1 A 46.940 1 ATOM 342 O O . GLN 45 45 ? A -92.315 -47.829 0.133 1.000 1 A 46.940 1 ATOM 343 C CB . GLN 45 45 ? A -94.075 -49.963 1.435 1.000 1 A 46.940 1 ATOM 344 C CG . GLN 45 45 ? A -94.705 -51.336 1.626 1.000 1 A 46.940 1 ATOM 345 C CD . GLN 45 45 ? A -96.199 -51.267 1.881 1.000 1 A 46.940 1 ATOM 346 O OE1 . GLN 45 45 ? A -96.733 -50.211 2.234 1.000 1 A 46.940 1 ATOM 347 N NE2 . GLN 45 45 ? A -96.883 -52.392 1.704 1.000 1 A 46.940 1 ATOM 348 N N . ASP 46 46 ? A -91.806 -49.492 -1.255 1.000 1 A 50.060 1 ATOM 349 C CA . ASP 46 46 ? A -92.344 -49.935 -2.538 1.000 1 A 50.060 1 ATOM 350 C C . ASP 46 46 ? A -92.262 -48.822 -3.581 1.000 1 A 50.060 1 ATOM 351 O O . ASP 46 46 ? A -92.636 -47.680 -3.308 1.000 1 A 50.060 1 ATOM 352 C CB . ASP 46 46 ? A -93.792 -50.403 -2.380 1.000 1 A 50.060 1 ATOM 353 C CG . ASP 46 46 ? A -93.910 -51.729 -1.650 1.000 1 A 50.060 1 ATOM 354 O OD1 . ASP 46 46 ? A -93.015 -52.589 -1.798 1.000 1 A 50.060 1 ATOM 355 O OD2 . ASP 46 46 ? A -94.910 -51.917 -0.923 1.000 1 A 50.060 1 ATOM 356 N N . ASP 47 47 ? A -91.751 -49.048 -4.802 1.000 1 A 47.990 1 ATOM 357 C CA . ASP 47 47 ? A -92.141 -49.435 -6.154 1.000 1 A 47.990 1 ATOM 358 C C . ASP 47 47 ? A -92.890 -48.303 -6.854 1.000 1 A 47.990 1 ATOM 359 O O . ASP 47 47 ? A -93.762 -47.667 -6.259 1.000 1 A 47.990 1 ATOM 360 C CB . ASP 47 47 ? A -93.005 -50.697 -6.124 1.000 1 A 47.990 1 ATOM 361 C CG . ASP 47 47 ? A -92.188 -51.972 -6.000 1.000 1 A 47.990 1 ATOM 362 O OD1 . ASP 47 47 ? A -90.985 -51.961 -6.339 1.000 1 A 47.990 1 ATOM 363 O OD2 . ASP 47 47 ? A -92.754 -52.997 -5.562 1.000 1 A 47.990 1 ATOM 364 N N . HIS 48 48 ? A -92.515 -47.849 -8.152 1.000 1 A 46.620 1 ATOM 365 C CA . HIS 48 48 ? A -92.938 -47.895 -9.547 1.000 1 A 46.620 1 ATOM 366 C C . HIS 48 48 ? A -93.685 -46.624 -9.938 1.000 1 A 46.620 1 ATOM 367 O O . HIS 48 48 ? A -94.493 -46.110 -9.162 1.000 1 A 46.620 1 ATOM 368 C CB . HIS 48 48 ? A -93.819 -49.120 -9.799 1.000 1 A 46.620 1 ATOM 369 C CG . HIS 48 48 ? A -93.091 -50.420 -9.665 1.000 1 A 46.620 1 ATOM 370 N ND1 . HIS 48 48 ? A -92.166 -50.853 -10.589 1.000 1 A 46.620 1 ATOM 371 C CD2 . HIS 48 48 ? A -93.153 -51.379 -8.711 1.000 1 A 46.620 1 ATOM 372 C CE1 . HIS 48 48 ? A -91.689 -52.026 -10.209 1.000 1 A 46.620 1 ATOM 373 N NE2 . HIS 48 48 ? A -92.272 -52.368 -9.072 1.000 1 A 46.620 1 ATOM 374 N N . THR 49 49 ? A -93.333 -45.930 -11.137 1.000 1 A 45.920 1 ATOM 375 C CA . THR 49 49 ? A -93.826 -45.642 -12.480 1.000 1 A 45.920 1 ATOM 376 C C . THR 49 49 ? A -94.569 -44.309 -12.508 1.000 1 A 45.920 1 ATOM 377 O O . THR 49 49 ? A -95.328 -43.997 -11.588 1.000 1 A 45.920 1 ATOM 378 C CB . THR 49 49 ? A -94.753 -46.761 -12.987 1.000 1 A 45.920 1 ATOM 379 O OG1 . THR 49 49 ? A -95.811 -46.963 -12.041 1.000 1 A 45.920 1 ATOM 380 C CG2 . THR 49 49 ? A -93.990 -48.069 -13.165 1.000 1 A 45.920 1 ATOM 381 N N . SER 50 50 ? A -94.178 -43.338 -13.415 1.000 1 A 50.030 1 ATOM 382 C CA . SER 50 50 ? A -94.809 -42.804 -14.617 1.000 1 A 50.030 1 ATOM 383 C C . SER 50 50 ? A -95.432 -41.437 -14.354 1.000 1 A 50.030 1 ATOM 384 O O . SER 50 50 ? A -96.187 -41.268 -13.394 1.000 1 A 50.030 1 ATOM 385 C CB . SER 50 50 ? A -95.876 -43.769 -15.136 1.000 1 A 50.030 1 ATOM 386 O OG . SER 50 50 ? A -96.519 -43.237 -16.282 1.000 1 A 50.030 1 ATOM 387 N N . ILE 51 51 ? A -94.938 -40.328 -14.996 1.000 1 A 50.610 1 ATOM 388 C CA . ILE 51 51 ? A -95.263 -39.316 -15.995 1.000 1 A 50.610 1 ATOM 389 C C . ILE 51 51 ? A -96.380 -38.415 -15.472 1.000 1 A 50.610 1 ATOM 390 O O . ILE 51 51 ? A -97.439 -38.900 -15.067 1.000 1 A 50.610 1 ATOM 391 C CB . ILE 51 51 ? A -95.678 -39.959 -17.337 1.000 1 A 50.610 1 ATOM 392 C CG1 . ILE 51 51 ? A -94.525 -40.792 -17.909 1.000 1 A 50.610 1 ATOM 393 C CG2 . ILE 51 51 ? A -96.125 -38.886 -18.335 1.000 1 A 50.610 1 ATOM 394 C CD1 . ILE 51 51 ? A -94.898 -41.599 -19.145 1.000 1 A 50.610 1 ATOM 395 N N . GLN 52 52 ? A -96.066 -37.112 -15.285 1.000 1 A 49.270 1 ATOM 396 C CA . GLN 52 52 ? A -96.664 -35.908 -15.851 1.000 1 A 49.270 1 ATOM 397 C C . GLN 52 52 ? A -96.462 -34.708 -14.930 1.000 1 A 49.270 1 ATOM 398 O O . GLN 52 52 ? A -96.805 -34.762 -13.748 1.000 1 A 49.270 1 ATOM 399 C CB . GLN 52 52 ? A -98.155 -36.122 -16.116 1.000 1 A 49.270 1 ATOM 400 C CG . GLN 52 52 ? A -98.487 -36.404 -17.575 1.000 1 A 49.270 1 ATOM 401 C CD . GLN 52 52 ? A -99.972 -36.602 -17.811 1.000 1 A 49.270 1 ATOM 402 O OE1 . GLN 52 52 ? A -100.750 -36.756 -16.864 1.000 1 A 49.270 1 ATOM 403 N NE2 . GLN 52 52 ? A -100.377 -36.601 -19.077 1.000 1 A 49.270 1 ATOM 404 N N . ASP 53 53 ? A -95.673 -33.716 -15.361 1.000 1 A 54.060 1 ATOM 405 C CA . ASP 53 53 ? A -95.723 -32.321 -15.787 1.000 1 A 54.060 1 ATOM 406 C C . ASP 53 53 ? A -96.091 -31.404 -14.624 1.000 1 A 54.060 1 ATOM 407 O O . ASP 53 53 ? A -97.095 -31.628 -13.944 1.000 1 A 54.060 1 ATOM 408 C CB . ASP 53 53 ? A -96.722 -32.146 -16.933 1.000 1 A 54.060 1 ATOM 409 C CG . ASP 53 53 ? A -96.205 -32.679 -18.257 1.000 1 A 54.060 1 ATOM 410 O OD1 . ASP 53 53 ? A -94.985 -32.597 -18.514 1.000 1 A 54.060 1 ATOM 411 O OD2 . ASP 53 53 ? A -97.027 -33.183 -19.053 1.000 1 A 54.060 1 ATOM 412 N N . ASP 54 54 ? A -95.163 -30.526 -14.384 1.000 1 A 52.920 1 ATOM 413 C CA . ASP 54 54 ? A -94.975 -29.083 -14.497 1.000 1 A 52.920 1 ATOM 414 C C . ASP 54 54 ? A -94.917 -28.427 -13.119 1.000 1 A 52.920 1 ATOM 415 O O . ASP 54 54 ? A -95.809 -28.628 -12.292 1.000 1 A 52.920 1 ATOM 416 C CB . ASP 54 54 ? A -96.097 -28.459 -15.330 1.000 1 A 52.920 1 ATOM 417 C CG . ASP 54 54 ? A -95.808 -28.475 -16.821 1.000 1 A 52.920 1 ATOM 418 O OD1 . ASP 54 54 ? A -94.642 -28.694 -17.214 1.000 1 A 52.920 1 ATOM 419 O OD2 . ASP 54 54 ? A -96.755 -28.265 -17.609 1.000 1 A 52.920 1 ATOM 420 N N . HIS 55 55 ? A -93.687 -27.855 -12.847 1.000 1 A 52.330 1 ATOM 421 C CA . HIS 55 55 ? A -93.019 -26.559 -12.827 1.000 1 A 52.330 1 ATOM 422 C C . HIS 55 55 ? A -92.805 -26.072 -11.398 1.000 1 A 52.330 1 ATOM 423 O O . HIS 55 55 ? A -93.726 -26.112 -10.579 1.000 1 A 52.330 1 ATOM 424 C CB . HIS 55 55 ? A -93.826 -25.528 -13.618 1.000 1 A 52.330 1 ATOM 425 C CG . HIS 55 55 ? A -93.991 -25.875 -15.063 1.000 1 A 52.330 1 ATOM 426 N ND1 . HIS 55 55 ? A -92.969 -25.753 -15.979 1.000 1 A 52.330 1 ATOM 427 C CD2 . HIS 55 55 ? A -95.060 -26.344 -15.748 1.000 1 A 52.330 1 ATOM 428 C CE1 . HIS 55 55 ? A -93.404 -26.132 -17.169 1.000 1 A 52.330 1 ATOM 429 N NE2 . HIS 55 55 ? A -94.670 -26.495 -17.056 1.000 1 A 52.330 1 ATOM 430 N N . THR 56 56 ? A -91.513 -26.005 -11.099 1.000 1 A 50.670 1 ATOM 431 C CA . THR 56 56 ? A -90.648 -24.850 -10.884 1.000 1 A 50.670 1 ATOM 432 C C . THR 56 56 ? A -89.860 -24.999 -9.585 1.000 1 A 50.670 1 ATOM 433 O O . THR 56 56 ? A -90.427 -25.339 -8.545 1.000 1 A 50.670 1 ATOM 434 C CB . THR 56 56 ? A -91.460 -23.543 -10.848 1.000 1 A 50.670 1 ATOM 435 O OG1 . THR 56 56 ? A -92.691 -23.771 -10.151 1.000 1 A 50.670 1 ATOM 436 C CG2 . THR 56 56 ? A -91.772 -23.050 -12.258 1.000 1 A 50.670 1 ATOM 437 N N . SER 57 57 ? A -88.537 -25.314 -9.796 1.000 1 A 48.280 1 ATOM 438 C CA . SER 57 57 ? A -87.312 -24.538 -9.630 1.000 1 A 48.280 1 ATOM 439 C C . SER 57 57 ? A -86.425 -25.133 -8.542 1.000 1 A 48.280 1 ATOM 440 O O . SER 57 57 ? A -86.873 -25.339 -7.412 1.000 1 A 48.280 1 ATOM 441 C CB . SER 57 57 ? A -87.640 -23.083 -9.294 1.000 1 A 48.280 1 ATOM 442 O OG . SER 57 57 ? A -89.039 -22.899 -9.164 1.000 1 A 48.280 1 ATOM 443 N N . ILE 58 58 ? A -85.407 -26.060 -9.017 1.000 1 A 44.780 1 ATOM 444 C CA . ILE 58 58 ? A -84.053 -26.317 -9.495 1.000 1 A 44.780 1 ATOM 445 C C . ILE 58 58 ? A -83.117 -26.523 -8.306 1.000 1 A 44.780 1 ATOM 446 O O . ILE 58 58 ? A -82.962 -25.631 -7.468 1.000 1 A 44.780 1 ATOM 447 C CB . ILE 58 58 ? A -83.540 -25.164 -10.387 1.000 1 A 44.780 1 ATOM 448 C CG1 . ILE 58 58 ? A -84.443 -24.997 -11.614 1.000 1 A 44.780 1 ATOM 449 C CG2 . ILE 58 58 ? A -82.087 -25.411 -10.806 1.000 1 A 44.780 1 ATOM 450 C CD1 . ILE 58 58 ? A -84.074 -23.813 -12.498 1.000 1 A 44.780 1 ATOM 451 N N . ASN 59 59 ? A -82.853 -27.821 -7.780 1.000 1 A 43.310 1 ATOM 452 C CA . ASN 59 59 ? A -82.166 -29.072 -7.477 1.000 1 A 43.310 1 ATOM 453 C C . ASN 59 59 ? A -80.883 -29.218 -8.290 1.000 1 A 43.310 1 ATOM 454 O O . ASN 59 59 ? A -80.872 -28.956 -9.494 1.000 1 A 43.310 1 ATOM 455 C CB . ASN 59 59 ? A -83.091 -30.265 -7.725 1.000 1 A 43.310 1 ATOM 456 C CG . ASN 59 59 ? A -83.819 -30.711 -6.472 1.000 1 A 43.310 1 ATOM 457 O OD1 . ASN 59 59 ? A -83.565 -30.201 -5.378 1.000 1 A 43.310 1 ATOM 458 N ND2 . ASN 59 59 ? A -84.730 -31.665 -6.623 1.000 1 A 43.310 1 ATOM 459 N N . THR 60 60 ? A -79.726 -29.726 -7.673 1.000 1 A 42.580 1 ATOM 460 C CA . THR 60 60 ? A -78.915 -30.923 -7.477 1.000 1 A 42.580 1 ATOM 461 C C . THR 60 60 ? A -77.984 -31.146 -8.666 1.000 1 A 42.580 1 ATOM 462 O O . THR 60 60 ? A -78.394 -30.993 -9.819 1.000 1 A 42.580 1 ATOM 463 C CB . THR 60 60 ? A -79.797 -32.168 -7.272 1.000 1 A 42.580 1 ATOM 464 O OG1 . THR 60 60 ? A -81.162 -31.832 -7.552 1.000 1 A 42.580 1 ATOM 465 C CG2 . THR 60 60 ? A -79.696 -32.684 -5.840 1.000 1 A 42.580 1 ATOM 466 N N . LEU 61 61 ? A -76.666 -31.445 -8.438 1.000 1 A 40.670 1 ATOM 467 C CA . LEU 61 61 ? A -75.670 -32.511 -8.404 1.000 1 A 40.670 1 ATOM 468 C C . LEU 61 61 ? A -75.137 -32.801 -9.803 1.000 1 A 40.670 1 ATOM 469 O O . LEU 61 61 ? A -75.914 -32.984 -10.743 1.000 1 A 40.670 1 ATOM 470 C CB . LEU 61 61 ? A -76.267 -33.784 -7.798 1.000 1 A 40.670 1 ATOM 471 C CG . LEU 61 61 ? A -76.510 -33.766 -6.288 1.000 1 A 40.670 1 ATOM 472 C CD1 . LEU 61 61 ? A -77.434 -34.911 -5.887 1.000 1 A 40.670 1 ATOM 473 C CD2 . LEU 61 61 ? A -75.189 -33.849 -5.533 1.000 1 A 40.670 1 ATOM 474 N N . ARG 62 62 ? A -73.805 -32.829 -10.072 1.000 1 A 42.020 1 ATOM 475 C CA . ARG 62 62 ? A -72.661 -33.521 -10.657 1.000 1 A 42.020 1 ATOM 476 C C . ARG 62 62 ? A -72.886 -33.794 -12.140 1.000 1 A 42.020 1 ATOM 477 O O . ARG 62 62 ? A -74.014 -34.056 -12.564 1.000 1 A 42.020 1 ATOM 478 C CB . ARG 62 62 ? A -72.391 -34.833 -9.918 1.000 1 A 42.020 1 ATOM 479 C CG . ARG 62 62 ? A -71.144 -34.805 -9.048 1.000 1 A 42.020 1 ATOM 480 C CD . ARG 62 62 ? A -70.865 -36.162 -8.418 1.000 1 A 42.020 1 ATOM 481 N NE . ARG 62 62 ? A -69.455 -36.315 -8.069 1.000 1 A 42.020 1 ATOM 482 C CZ . ARG 62 62 ? A -68.952 -37.331 -7.374 1.000 1 A 42.020 1 ATOM 483 N NH1 . ARG 62 62 ? A -69.738 -38.309 -6.937 1.000 1 A 42.020 1 ATOM 484 N NH2 . ARG 62 62 ? A -67.654 -37.371 -7.113 1.000 1 A 42.020 1 ATOM 485 N N . PRO 63 63 ? A -71.684 -34.264 -12.982 1.000 1 A 47.360 1 ATOM 486 C CA . PRO 63 63 ? A -70.463 -34.969 -13.382 1.000 1 A 47.360 1 ATOM 487 C C . PRO 63 63 ? A -70.015 -34.616 -14.798 1.000 1 A 47.360 1 ATOM 488 O O . PRO 63 63 ? A -70.763 -33.982 -15.546 1.000 1 A 47.360 1 ATOM 489 C CB . PRO 63 63 ? A -70.861 -36.444 -13.287 1.000 1 A 47.360 1 ATOM 490 C CG . PRO 63 63 ? A -72.299 -36.479 -13.692 1.000 1 A 47.360 1 ATOM 491 C CD . PRO 63 63 ? A -72.779 -35.067 -13.871 1.000 1 A 47.360 1 ATOM 492 N N . ASP 64 64 ? A -68.651 -34.612 -15.113 1.000 1 A 43.660 1 ATOM 493 C CA . ASP 64 64 ? A -67.636 -35.113 -16.034 1.000 1 A 43.660 1 ATOM 494 C C . ASP 64 64 ? A -68.030 -34.843 -17.485 1.000 1 A 43.660 1 ATOM 495 O O . ASP 64 64 ? A -69.167 -35.101 -17.883 1.000 1 A 43.660 1 ATOM 496 C CB . ASP 64 64 ? A -67.410 -36.611 -15.821 1.000 1 A 43.660 1 ATOM 497 C CG . ASP 64 64 ? A -66.336 -36.907 -14.788 1.000 1 A 43.660 1 ATOM 498 O OD1 . ASP 64 64 ? A -65.487 -36.030 -14.523 1.000 1 A 43.660 1 ATOM 499 O OD2 . ASP 64 64 ? A -66.338 -38.030 -14.238 1.000 1 A 43.660 1 ATOM 500 N N . ASP 65 65 ? A -67.210 -34.108 -18.318 1.000 1 A 45.620 1 ATOM 501 C CA . ASP 65 65 ? A -66.468 -34.208 -19.571 1.000 1 A 45.620 1 ATOM 502 C C . ASP 65 65 ? A -67.281 -33.650 -20.736 1.000 1 A 45.620 1 ATOM 503 O O . ASP 65 65 ? A -68.443 -34.017 -20.922 1.000 1 A 45.620 1 ATOM 504 C CB . ASP 65 65 ? A -66.078 -35.661 -19.849 1.000 1 A 45.620 1 ATOM 505 C CG . ASP 65 65 ? A -64.829 -36.094 -19.102 1.000 1 A 45.620 1 ATOM 506 O OD1 . ASP 65 65 ? A -64.016 -35.225 -18.718 1.000 1 A 45.620 1 ATOM 507 O OD2 . ASP 65 65 ? A -64.654 -37.314 -18.898 1.000 1 A 45.620 1 ATOM 508 N N . SER 66 66 ? A -66.807 -32.551 -21.390 1.000 1 A 46.180 1 ATOM 509 C CA . SER 66 66 ? A -66.263 -32.054 -22.649 1.000 1 A 46.180 1 ATOM 510 C C . SER 66 66 ? A -67.303 -32.117 -23.763 1.000 1 A 46.180 1 ATOM 511 O O . SER 66 66 ? A -68.034 -33.102 -23.882 1.000 1 A 46.180 1 ATOM 512 C CB . SER 66 66 ? A -65.023 -32.854 -23.052 1.000 1 A 46.180 1 ATOM 513 O OG . SER 66 66 ? A -65.291 -34.246 -23.019 1.000 1 A 46.180 1 ATOM 514 N N . PHE 67 67 ? A -67.634 -30.942 -24.361 1.000 1 A 48.710 1 ATOM 515 C CA . PHE 67 67 ? A -67.560 -30.551 -25.763 1.000 1 A 48.710 1 ATOM 516 C C . PHE 67 67 ? A -68.922 -30.095 -26.272 1.000 1 A 48.710 1 ATOM 517 O O . PHE 67 67 ? A -69.916 -30.809 -26.125 1.000 1 A 48.710 1 ATOM 518 C CB . PHE 67 67 ? A -67.041 -31.711 -26.620 1.000 1 A 48.710 1 ATOM 519 C CG . PHE 67 67 ? A -65.574 -31.619 -26.941 1.000 1 A 48.710 1 ATOM 520 C CD1 . PHE 67 67 ? A -65.130 -30.854 -28.013 1.000 1 A 48.710 1 ATOM 521 C CD2 . PHE 67 67 ? A -64.639 -32.299 -26.172 1.000 1 A 48.710 1 ATOM 522 C CE1 . PHE 67 67 ? A -63.772 -30.767 -28.313 1.000 1 A 48.710 1 ATOM 523 C CE2 . PHE 67 67 ? A -63.280 -32.217 -26.466 1.000 1 A 48.710 1 ATOM 524 C CZ . PHE 67 67 ? A -62.849 -31.452 -27.537 1.000 1 A 48.710 1 ATOM 525 N N . ASN 68 68 ? A -69.029 -28.775 -26.578 1.000 1 A 46.330 1 ATOM 526 C CA . ASN 68 68 ? A -69.195 -27.995 -27.800 1.000 1 A 46.330 1 ATOM 527 C C . ASN 68 68 ? A -70.666 -27.858 -28.182 1.000 1 A 46.330 1 ATOM 528 O O . ASN 68 68 ? A -71.368 -28.859 -28.334 1.000 1 A 46.330 1 ATOM 529 C CB . ASN 68 68 ? A -68.404 -28.624 -28.949 1.000 1 A 46.330 1 ATOM 530 C CG . ASN 68 68 ? A -67.006 -28.052 -29.078 1.000 1 A 46.330 1 ATOM 531 O OD1 . ASN 68 68 ? A -66.676 -27.039 -28.454 1.000 1 A 46.330 1 ATOM 532 N ND2 . ASN 68 68 ? A -66.174 -28.696 -29.887 1.000 1 A 46.330 1 ATOM 533 N N . ARG 69 69 ? A -71.114 -26.644 -28.078 1.000 1 A 46.170 1 ATOM 534 C CA . ARG 69 69 ? A -71.388 -25.688 -29.145 1.000 1 A 46.170 1 ATOM 535 C C . ARG 69 69 ? A -72.870 -25.680 -29.506 1.000 1 A 46.170 1 ATOM 536 O O . ARG 69 69 ? A -73.443 -26.725 -29.819 1.000 1 A 46.170 1 ATOM 537 C CB . ARG 69 69 ? A -70.548 -26.008 -30.383 1.000 1 A 46.170 1 ATOM 538 C CG . ARG 69 69 ? A -69.526 -24.937 -30.728 1.000 1 A 46.170 1 ATOM 539 C CD . ARG 69 69 ? A -68.767 -25.272 -32.005 1.000 1 A 46.170 1 ATOM 540 N NE . ARG 69 69 ? A -67.654 -24.354 -32.228 1.000 1 A 46.170 1 ATOM 541 C CZ . ARG 69 69 ? A -66.831 -24.399 -33.271 1.000 1 A 46.170 1 ATOM 542 N NH1 . ARG 69 69 ? A -66.980 -25.324 -34.212 1.000 1 A 46.170 1 ATOM 543 N NH2 . ARG 69 69 ? A -65.850 -23.514 -33.374 1.000 1 A 46.170 1 ATOM 544 N N . LEU 70 70 ? A -73.560 -24.459 -29.293 1.000 1 A 51.120 1 ATOM 545 C CA . LEU 70 70 ? A -74.036 -23.380 -30.152 1.000 1 A 51.120 1 ATOM 546 C C . LEU 70 70 ? A -75.492 -23.043 -29.846 1.000 1 A 51.120 1 ATOM 547 O O . LEU 70 70 ? A -76.354 -23.925 -29.860 1.000 1 A 51.120 1 ATOM 548 C CB . LEU 70 70 ? A -73.888 -23.764 -31.627 1.000 1 A 51.120 1 ATOM 549 C CG . LEU 70 70 ? A -72.619 -23.279 -32.329 1.000 1 A 51.120 1 ATOM 550 C CD1 . LEU 70 70 ? A -72.247 -24.227 -33.465 1.000 1 A 51.120 1 ATOM 551 C CD2 . LEU 70 70 ? A -72.805 -21.859 -32.851 1.000 1 A 51.120 1 ATOM 552 N N . HIS 71 71 ? A -75.785 -21.678 -29.519 1.000 1 A 46.150 1 ATOM 553 C CA . HIS 71 71 ? A -76.168 -20.412 -30.134 1.000 1 A 46.150 1 ATOM 554 C C . HIS 71 71 ? A -77.606 -20.043 -29.786 1.000 1 A 46.150 1 ATOM 555 O O . HIS 71 71 ? A -78.515 -20.863 -29.937 1.000 1 A 46.150 1 ATOM 556 C CB . HIS 71 71 ? A -75.996 -20.480 -31.652 1.000 1 A 46.150 1 ATOM 557 C CG . HIS 71 71 ? A -74.770 -19.783 -32.149 1.000 1 A 46.150 1 ATOM 558 N ND1 . HIS 71 71 ? A -74.785 -18.480 -32.598 1.000 1 A 46.150 1 ATOM 559 C CD2 . HIS 71 71 ? A -73.490 -20.208 -32.263 1.000 1 A 46.150 1 ATOM 560 C CE1 . HIS 71 71 ? A -73.564 -18.134 -32.970 1.000 1 A 46.150 1 ATOM 561 N NE2 . HIS 71 71 ? A -72.759 -19.165 -32.776 1.000 1 A 46.150 1 ATOM 562 N N . ASP 72 72 ? A -77.811 -18.759 -29.179 1.000 1 A 46.950 1 ATOM 563 C CA . ASP 72 72 ? A -78.321 -17.519 -29.755 1.000 1 A 46.950 1 ATOM 564 C C . ASP 72 72 ? A -78.925 -16.621 -28.678 1.000 1 A 46.950 1 ATOM 565 O O . ASP 72 72 ? A -79.769 -17.062 -27.895 1.000 1 A 46.950 1 ATOM 566 C CB . ASP 72 72 ? A -79.363 -17.817 -30.835 1.000 1 A 46.950 1 ATOM 567 C CG . ASP 72 72 ? A -78.744 -18.115 -32.190 1.000 1 A 46.950 1 ATOM 568 O OD1 . ASP 72 72 ? A -77.589 -17.707 -32.436 1.000 1 A 46.950 1 ATOM 569 O OD2 . ASP 72 72 ? A -79.419 -18.762 -33.020 1.000 1 A 46.950 1 ATOM 570 N N . SER 73 73 ? A -78.393 -15.286 -28.459 1.000 1 A 49.140 1 ATOM 571 C CA . SER 73 73 ? A -78.706 -13.946 -28.944 1.000 1 A 49.140 1 ATOM 572 C C . SER 73 73 ? A -79.006 -12.996 -27.789 1.000 1 A 49.140 1 ATOM 573 O O . SER 73 73 ? A -79.817 -13.310 -26.915 1.000 1 A 49.140 1 ATOM 574 C CB . SER 73 73 ? A -79.897 -13.987 -29.902 1.000 1 A 49.140 1 ATOM 575 O OG . SER 73 73 ? A -79.747 -15.035 -30.845 1.000 1 A 49.140 1 ATOM 576 N N . TYR 74 74 ? A -78.087 -11.944 -27.541 1.000 1 A 47.080 1 ATOM 577 C CA . TYR 74 74 ? A -78.252 -10.496 -27.609 1.000 1 A 47.080 1 ATOM 578 C C . TYR 74 74 ? A -77.078 -9.782 -26.950 1.000 1 A 47.080 1 ATOM 579 O O . TYR 74 74 ? A -76.775 -10.023 -25.779 1.000 1 A 47.080 1 ATOM 580 C CB . TYR 74 74 ? A -79.563 -10.072 -26.941 1.000 1 A 47.080 1 ATOM 581 C CG . TYR 74 74 ? A -80.571 -9.484 -27.899 1.000 1 A 47.080 1 ATOM 582 C CD1 . TYR 74 74 ? A -80.637 -8.109 -28.114 1.000 1 A 47.080 1 ATOM 583 C CD2 . TYR 74 74 ? A -81.458 -10.301 -28.591 1.000 1 A 47.080 1 ATOM 584 C CE1 . TYR 74 74 ? A -81.565 -7.563 -28.994 1.000 1 A 47.080 1 ATOM 585 C CE2 . TYR 74 74 ? A -82.390 -9.766 -29.474 1.000 1 A 47.080 1 ATOM 586 C CZ . TYR 74 74 ? A -82.435 -8.398 -29.669 1.000 1 A 47.080 1 ATOM 587 O OH . TYR 74 74 ? A -83.356 -7.862 -30.542 1.000 1 A 47.080 1 ATOM 588 N N . SER 75 75 ? A -76.002 -9.153 -27.841 1.000 1 A 49.860 1 ATOM 589 C CA . SER 75 75 ? A -75.637 -7.895 -28.484 1.000 1 A 49.860 1 ATOM 590 C C . SER 75 75 ? A -74.594 -7.139 -27.668 1.000 1 A 49.860 1 ATOM 591 O O . SER 75 75 ? A -74.790 -6.892 -26.476 1.000 1 A 49.860 1 ATOM 592 C CB . SER 75 75 ? A -76.873 -7.017 -28.686 1.000 1 A 49.860 1 ATOM 593 O OG . SER 75 75 ? A -77.550 -7.369 -29.880 1.000 1 A 49.860 1 ATOM 594 N N . GLN 76 76 ? A -73.258 -7.055 -28.148 1.000 1 A 49.560 1 ATOM 595 C CA . GLN 76 76 ? A -72.562 -6.133 -29.039 1.000 1 A 49.560 1 ATOM 596 C C . GLN 76 76 ? A -71.340 -5.526 -28.356 1.000 1 A 49.560 1 ATOM 597 O O . GLN 76 76 ? A -71.455 -4.921 -27.289 1.000 1 A 49.560 1 ATOM 598 C CB . GLN 76 76 ? A -73.506 -5.025 -29.509 1.000 1 A 49.560 1 ATOM 599 C CG . GLN 76 76 ? A -73.230 -4.543 -30.927 1.000 1 A 49.560 1 ATOM 600 C CD . GLN 76 76 ? A -74.275 -3.563 -31.427 1.000 1 A 49.560 1 ATOM 601 O OE1 . GLN 76 76 ? A -74.973 -2.921 -30.636 1.000 1 A 49.560 1 ATOM 602 N NE2 . GLN 76 76 ? A -74.392 -3.443 -32.745 1.000 1 A 49.560 1 ATOM 603 N N . GLU 77 77 ? A -70.044 -5.788 -28.646 1.000 1 A 42.000 1 ATOM 604 C CA . GLU 77 77 ? A -68.709 -5.457 -29.133 1.000 1 A 42.000 1 ATOM 605 C C . GLU 77 77 ? A -68.696 -4.099 -29.830 1.000 1 A 42.000 1 ATOM 606 O O . GLU 77 77 ? A -69.602 -3.784 -30.603 1.000 1 A 42.000 1 ATOM 607 C CB . GLU 77 77 ? A -68.199 -6.542 -30.085 1.000 1 A 42.000 1 ATOM 608 C CG . GLU 77 77 ? A -68.297 -7.951 -29.520 1.000 1 A 42.000 1 ATOM 609 C CD . GLU 77 77 ? A -67.644 -9.000 -30.406 1.000 1 A 42.000 1 ATOM 610 O OE1 . GLU 77 77 ? A -67.055 -9.966 -29.870 1.000 1 A 42.000 1 ATOM 611 O OE2 . GLU 77 77 ? A -67.721 -8.853 -31.646 1.000 1 A 42.000 1 ATOM 612 N N . ASP 78 78 ? A -67.765 -3.125 -29.437 1.000 1 A 47.960 1 ATOM 613 C CA . ASP 78 78 ? A -66.715 -2.539 -30.265 1.000 1 A 47.960 1 ATOM 614 C C . ASP 78 78 ? A -66.049 -1.362 -29.556 1.000 1 A 47.960 1 ATOM 615 O O . ASP 78 78 ? A -66.732 -0.461 -29.064 1.000 1 A 47.960 1 ATOM 616 C CB . ASP 78 78 ? A -67.282 -2.090 -31.613 1.000 1 A 47.960 1 ATOM 617 C CG . ASP 78 78 ? A -67.165 -3.154 -32.690 1.000 1 A 47.960 1 ATOM 618 O OD1 . ASP 78 78 ? A -66.401 -4.126 -32.507 1.000 1 A 47.960 1 ATOM 619 O OD2 . ASP 78 78 ? A -67.840 -3.017 -33.733 1.000 1 A 47.960 1 ATOM 620 N N . ARG 79 79 ? A -64.716 -1.357 -29.110 1.000 1 A 48.810 1 ATOM 621 C CA . ARG 79 79 ? A -63.619 -0.558 -29.647 1.000 1 A 48.810 1 ATOM 622 C C . ARG 79 79 ? A -63.085 0.413 -28.600 1.000 1 A 48.810 1 ATOM 623 O O . ARG 79 79 ? A -63.851 1.172 -28.001 1.000 1 A 48.810 1 ATOM 624 C CB . ARG 79 79 ? A -64.073 0.210 -30.891 1.000 1 A 48.810 1 ATOM 625 C CG . ARG 79 79 ? A -64.033 -0.611 -32.170 1.000 1 A 48.810 1 ATOM 626 C CD . ARG 79 79 ? A -64.142 0.268 -33.408 1.000 1 A 48.810 1 ATOM 627 N NE . ARG 79 79 ? A -63.682 -0.428 -34.606 1.000 1 A 48.810 1 ATOM 628 C CZ . ARG 79 79 ? A -63.850 0.011 -35.850 1.000 1 A 48.810 1 ATOM 629 N NH1 . ARG 79 79 ? A -64.475 1.160 -36.085 1.000 1 A 48.810 1 ATOM 630 N NH2 . ARG 79 79 ? A -63.392 -0.703 -36.868 1.000 1 A 48.810 1 ATOM 631 N N . LEU 80 80 ? A -61.854 0.221 -27.989 1.000 1 A 59.030 1 ATOM 632 C CA . LEU 80 80 ? A -60.780 1.208 -27.958 1.000 1 A 59.030 1 ATOM 633 C C . LEU 80 80 ? A -60.000 1.123 -26.650 1.000 1 A 59.030 1 ATOM 634 O O . LEU 80 80 ? A -60.584 1.217 -25.568 1.000 1 A 59.030 1 ATOM 635 C CB . LEU 80 80 ? A -61.344 2.620 -28.138 1.000 1 A 59.030 1 ATOM 636 C CG . LEU 80 80 ? A -61.833 2.980 -29.542 1.000 1 A 59.030 1 ATOM 637 C CD1 . LEU 80 80 ? A -62.709 4.227 -29.494 1.000 1 A 59.030 1 ATOM 638 C CD2 . LEU 80 80 ? A -60.651 3.186 -30.484 1.000 1 A 59.030 1 ATOM 639 N N . MET 81 81 ? A -58.730 0.528 -26.491 1.000 1 A 46.690 1 ATOM 640 C CA . MET 81 81 ? A -57.433 0.885 -25.924 1.000 1 A 46.690 1 ATOM 641 C C . MET 81 81 ? A -57.601 1.788 -24.707 1.000 1 A 46.690 1 ATOM 642 O O . MET 81 81 ? A -58.505 2.625 -24.669 1.000 1 A 46.690 1 ATOM 643 C CB . MET 81 81 ? A -56.559 1.577 -26.972 1.000 1 A 46.690 1 ATOM 644 C CG . MET 81 81 ? A -56.113 0.661 -28.099 1.000 1 A 46.690 1 ATOM 645 S SD . MET 81 81 ? A -54.513 -0.165 -27.742 1.000 1 A 46.690 1 ATOM 646 C CE . MET 81 81 ? A -55.095 -1.845 -27.379 1.000 1 A 46.690 1 ATOM 647 N N . PRO 82 82 ? A -56.463 1.957 -23.831 1.000 1 A 49.650 1 ATOM 648 C CA . PRO 82 82 ? A -55.206 1.469 -23.258 1.000 1 A 49.650 1 ATOM 649 C C . PRO 82 82 ? A -55.021 1.885 -21.800 1.000 1 A 49.650 1 ATOM 650 O O . PRO 82 82 ? A -55.800 2.688 -21.280 1.000 1 A 49.650 1 ATOM 651 C CB . PRO 82 82 ? A -54.140 2.110 -24.149 1.000 1 A 49.650 1 ATOM 652 C CG . PRO 82 82 ? A -54.696 3.451 -24.506 1.000 1 A 49.650 1 ATOM 653 C CD . PRO 82 82 ? A -56.103 3.537 -23.987 1.000 1 A 49.650 1 ATOM 654 N N . THR 83 83 ? A -54.469 1.074 -20.845 1.000 1 A 51.610 1 ATOM 655 C CA . THR 83 83 ? A -53.231 1.380 -20.139 1.000 1 A 51.610 1 ATOM 656 C C . THR 83 83 ? A -53.346 1.015 -18.661 1.000 1 A 51.610 1 ATOM 657 O O . THR 83 83 ? A -54.306 1.407 -17.993 1.000 1 A 51.610 1 ATOM 658 C CB . THR 83 83 ? A -52.863 2.869 -20.275 1.000 1 A 51.610 1 ATOM 659 O OG1 . THR 83 83 ? A -53.733 3.484 -21.234 1.000 1 A 51.610 1 ATOM 660 C CG2 . THR 83 83 ? A -51.419 3.040 -20.734 1.000 1 A 51.610 1 ATOM 661 N N . SER 84 84 ? A -52.732 -0.055 -18.151 1.000 1 A 38.490 1 ATOM 662 C CA . SER 84 84 ? A -51.578 -0.503 -17.379 1.000 1 A 38.490 1 ATOM 663 C C . SER 84 84 ? A -51.581 0.100 -15.978 1.000 1 A 38.490 1 ATOM 664 O O . SER 84 84 ? A -51.710 1.316 -15.820 1.000 1 A 38.490 1 ATOM 665 C CB . SER 84 84 ? A -50.278 -0.138 -18.097 1.000 1 A 38.490 1 ATOM 666 O OG . SER 84 84 ? A -50.214 1.256 -18.344 1.000 1 A 38.490 1 ATOM 667 N N . HIS 85 85 ? A -51.861 -0.591 -14.812 1.000 1 A 50.070 1 ATOM 668 C CA . HIS 85 85 ? A -50.923 -0.501 -13.699 1.000 1 A 50.070 1 ATOM 669 C C . HIS 85 85 ? A -50.928 -1.781 -12.870 1.000 1 A 50.070 1 ATOM 670 O O . HIS 85 85 ? A -51.936 -2.116 -12.244 1.000 1 A 50.070 1 ATOM 671 C CB . HIS 85 85 ? A -51.257 0.700 -12.813 1.000 1 A 50.070 1 ATOM 672 C CG . HIS 85 85 ? A -50.665 1.986 -13.297 1.000 1 A 50.070 1 ATOM 673 N ND1 . HIS 85 85 ? A -50.078 2.114 -14.538 1.000 1 A 50.070 1 ATOM 674 C CD2 . HIS 85 85 ? A -50.572 3.200 -12.706 1.000 1 A 50.070 1 ATOM 675 C CE1 . HIS 85 85 ? A -49.649 3.356 -14.689 1.000 1 A 50.070 1 ATOM 676 N NE2 . HIS 85 85 ? A -49.936 4.035 -13.592 1.000 1 A 50.070 1 ATOM 677 N N . SER 86 86 ? A -50.126 -2.756 -13.215 1.000 1 A 45.060 1 ATOM 678 C CA . SER 86 86 ? A -49.095 -3.597 -12.617 1.000 1 A 45.060 1 ATOM 679 C C . SER 86 86 ? A -47.960 -2.755 -12.042 1.000 1 A 45.060 1 ATOM 680 O O . SER 86 86 ? A -47.519 -1.788 -12.667 1.000 1 A 45.060 1 ATOM 681 C CB . SER 86 86 ? A -48.539 -4.580 -13.648 1.000 1 A 45.060 1 ATOM 682 O OG . SER 86 86 ? A -47.980 -3.889 -14.752 1.000 1 A 45.060 1 ATOM 683 N N . GLN 87 87 ? A -47.795 -2.562 -10.758 1.000 1 A 47.820 1 ATOM 684 C CA . GLN 87 87 ? A -46.419 -2.837 -10.358 1.000 1 A 47.820 1 ATOM 685 C C . GLN 87 87 ? A -46.328 -3.130 -8.864 1.000 1 A 47.820 1 ATOM 686 O O . GLN 87 87 ? A -47.012 -2.494 -8.058 1.000 1 A 47.820 1 ATOM 687 C CB . GLN 87 87 ? A -45.509 -1.662 -10.719 1.000 1 A 47.820 1 ATOM 688 C CG . GLN 87 87 ? A -45.191 -1.563 -12.205 1.000 1 A 47.820 1 ATOM 689 C CD . GLN 87 87 ? A -43.748 -1.907 -12.521 1.000 1 A 47.820 1 ATOM 690 O OE1 . GLN 87 87 ? A -42.822 -1.418 -11.865 1.000 1 A 47.820 1 ATOM 691 N NE2 . GLN 87 87 ? A -43.545 -2.749 -13.528 1.000 1 A 47.820 1 ATOM 692 N N . PRO 88 88 ? A -45.345 -3.919 -8.434 1.000 1 A 54.830 1 ATOM 693 C CA . PRO 88 88 ? A -44.477 -4.813 -7.665 1.000 1 A 54.830 1 ATOM 694 C C . PRO 88 88 ? A -43.409 -4.063 -6.873 1.000 1 A 54.830 1 ATOM 695 O O . PRO 88 88 ? A -43.180 -2.874 -7.112 1.000 1 A 54.830 1 ATOM 696 C CB . PRO 88 88 ? A -43.840 -5.698 -8.740 1.000 1 A 54.830 1 ATOM 697 C CG . PRO 88 88 ? A -43.663 -4.797 -9.919 1.000 1 A 54.830 1 ATOM 698 C CD . PRO 88 88 ? A -44.318 -3.480 -9.616 1.000 1 A 54.830 1 ATOM 699 N N . ASP 89 89 ? A -43.220 -4.400 -5.618 1.000 1 A 40.630 1 ATOM 700 C CA . ASP 89 89 ? A -42.130 -4.836 -4.751 1.000 1 A 40.630 1 ATOM 701 C C . ASP 89 89 ? A -40.822 -4.957 -5.532 1.000 1 A 40.630 1 ATOM 702 O O . ASP 89 89 ? A -40.779 -5.593 -6.586 1.000 1 A 40.630 1 ATOM 703 C CB . ASP 89 89 ? A -42.472 -6.173 -4.090 1.000 1 A 40.630 1 ATOM 704 C CG . ASP 89 89 ? A -42.792 -6.037 -2.611 1.000 1 A 40.630 1 ATOM 705 O OD1 . ASP 89 89 ? A -42.545 -4.959 -2.030 1.000 1 A 40.630 1 ATOM 706 O OD2 . ASP 89 89 ? A -43.293 -7.019 -2.022 1.000 1 A 40.630 1 ATOM 707 N N . PHE 90 90 ? A -39.854 -3.921 -5.406 1.000 1 A 54.980 1 ATOM 708 C CA . PHE 90 90 ? A -38.429 -4.230 -5.367 1.000 1 A 54.980 1 ATOM 709 C C . PHE 90 90 ? A -37.615 -2.988 -5.023 1.000 1 A 54.980 1 ATOM 710 O O . PHE 90 90 ? A -37.853 -1.911 -5.573 1.000 1 A 54.980 1 ATOM 711 C CB . PHE 90 90 ? A -37.966 -4.805 -6.710 1.000 1 A 54.980 1 ATOM 712 C CG . PHE 90 90 ? A -38.144 -6.295 -6.825 1.000 1 A 54.980 1 ATOM 713 C CD1 . PHE 90 90 ? A -37.230 -7.165 -6.242 1.000 1 A 54.980 1 ATOM 714 C CD2 . PHE 90 90 ? A -39.224 -6.826 -7.517 1.000 1 A 54.980 1 ATOM 715 C CE1 . PHE 90 90 ? A -37.392 -8.544 -6.347 1.000 1 A 54.980 1 ATOM 716 C CE2 . PHE 90 90 ? A -39.392 -8.203 -7.627 1.000 1 A 54.980 1 ATOM 717 C CZ . PHE 90 90 ? A -38.475 -9.061 -7.042 1.000 1 A 54.980 1 ATOM 718 N N . SER 91 91 ? A -36.758 -2.957 -3.969 1.000 1 A 44.060 1 ATOM 719 C CA . SER 91 91 ? A -35.355 -2.908 -3.570 1.000 1 A 44.060 1 ATOM 720 C C . SER 91 91 ? A -34.442 -2.724 -4.777 1.000 1 A 44.060 1 ATOM 721 O O . SER 91 91 ? A -34.628 -3.375 -5.807 1.000 1 A 44.060 1 ATOM 722 C CB . SER 91 91 ? A -34.968 -4.182 -2.817 1.000 1 A 44.060 1 ATOM 723 O OG . SER 91 91 ? A -33.839 -3.954 -1.990 1.000 1 A 44.060 1 ATOM 724 N N . TYR 92 92 ? A -33.569 -1.591 -4.900 1.000 1 A 46.930 1 ATOM 725 C CA . TYR 92 92 ? A -32.255 -0.979 -5.060 1.000 1 A 46.930 1 ATOM 726 C C . TYR 92 92 ? A -31.879 -0.872 -6.533 1.000 1 A 46.930 1 ATOM 727 O O . TYR 92 92 ? A -32.007 -1.841 -7.285 1.000 1 A 46.930 1 ATOM 728 C CB . TYR 92 92 ? A -31.192 -1.785 -4.307 1.000 1 A 46.930 1 ATOM 729 C CG . TYR 92 92 ? A -31.259 -1.626 -2.807 1.000 1 A 46.930 1 ATOM 730 C CD1 . TYR 92 92 ? A -30.690 -0.521 -2.178 1.000 1 A 46.930 1 ATOM 731 C CD2 . TYR 92 92 ? A -31.889 -2.580 -2.017 1.000 1 A 46.930 1 ATOM 732 C CE1 . TYR 92 92 ? A -30.747 -0.371 -0.797 1.000 1 A 46.930 1 ATOM 733 C CE2 . TYR 92 92 ? A -31.953 -2.441 -0.634 1.000 1 A 46.930 1 ATOM 734 C CZ . TYR 92 92 ? A -31.380 -1.335 -0.034 1.000 1 A 46.930 1 ATOM 735 O OH . TYR 92 92 ? A -31.440 -1.191 1.334 1.000 1 A 46.930 1 ATOM 736 N N . HIS 93 93 ? A -31.538 0.377 -7.021 1.000 1 A 60.200 1 ATOM 737 C CA . HIS 93 93 ? A -30.395 0.635 -7.888 1.000 1 A 60.200 1 ATOM 738 C C . HIS 93 93 ? A -30.260 2.123 -8.195 1.000 1 A 60.200 1 ATOM 739 O O . HIS 93 93 ? A -31.235 2.772 -8.581 1.000 1 A 60.200 1 ATOM 740 C CB . HIS 93 93 ? A -30.519 -0.160 -9.190 1.000 1 A 60.200 1 ATOM 741 C CG . HIS 93 93 ? A -29.256 -0.853 -9.592 1.000 1 A 60.200 1 ATOM 742 N ND1 . HIS 93 93 ? A -28.017 -0.471 -9.127 1.000 1 A 60.200 1 ATOM 743 C CD2 . HIS 93 93 ? A -29.045 -1.908 -10.414 1.000 1 A 60.200 1 ATOM 744 C CE1 . HIS 93 93 ? A -27.094 -1.262 -9.649 1.000 1 A 60.200 1 ATOM 745 N NE2 . HIS 93 93 ? A -27.692 -2.143 -10.433 1.000 1 A 60.200 1 ATOM 746 N N . MET 94 94 ? A -29.227 2.975 -7.654 1.000 1 A 48.850 1 ATOM 747 C CA . MET 94 94 ? A -28.057 3.763 -8.031 1.000 1 A 48.850 1 ATOM 748 C C . MET 94 94 ? A -28.182 4.273 -9.463 1.000 1 A 48.850 1 ATOM 749 O O . MET 94 94 ? A -28.468 3.500 -10.379 1.000 1 A 48.850 1 ATOM 750 C CB . MET 94 94 ? A -26.779 2.935 -7.881 1.000 1 A 48.850 1 ATOM 751 C CG . MET 94 94 ? A -26.376 2.686 -6.437 1.000 1 A 48.850 1 ATOM 752 S SD . MET 94 94 ? A -25.666 4.178 -5.639 1.000 1 A 48.850 1 ATOM 753 C CE . MET 94 94 ? A -26.779 4.339 -4.214 1.000 1 A 48.850 1 ATOM 754 N N . ASP 95 95 ? A -28.218 5.639 -9.612 1.000 1 A 48.500 1 ATOM 755 C CA . ASP 95 95 ? A -27.462 6.776 -10.129 1.000 1 A 48.500 1 ATOM 756 C C . ASP 95 95 ? A -27.503 6.814 -11.655 1.000 1 A 48.500 1 ATOM 757 O O . ASP 95 95 ? A -27.231 5.808 -12.314 1.000 1 A 48.500 1 ATOM 758 C CB . ASP 95 95 ? A -26.012 6.722 -9.643 1.000 1 A 48.500 1 ATOM 759 C CG . ASP 95 95 ? A -25.827 7.324 -8.262 1.000 1 A 48.500 1 ATOM 760 O OD1 . ASP 95 95 ? A -26.526 8.304 -7.925 1.000 1 A 48.500 1 ATOM 761 O OD2 . ASP 95 95 ? A -24.973 6.816 -7.504 1.000 1 A 48.500 1 ATOM 762 N N . SER 96 96 ? A -27.935 7.982 -12.198 1.000 1 A 49.640 1 ATOM 763 C CA . SER 96 96 ? A -27.262 9.052 -12.927 1.000 1 A 49.640 1 ATOM 764 C C . SER 96 96 ? A -28.043 9.444 -14.177 1.000 1 A 49.640 1 ATOM 765 O O . SER 96 96 ? A -28.417 8.584 -14.978 1.000 1 A 49.640 1 ATOM 766 C CB . SER 96 96 ? A -25.844 8.629 -13.314 1.000 1 A 49.640 1 ATOM 767 O OG . SER 96 96 ? A -25.750 7.218 -13.414 1.000 1 A 49.640 1 ATOM 768 N N . HIS 97 97 ? A -28.495 10.683 -14.236 1.000 1 A 43.850 1 ATOM 769 C CA . HIS 97 97 ? A -28.320 12.021 -14.788 1.000 1 A 43.850 1 ATOM 770 C C . HIS 97 97 ? A -28.893 12.114 -16.199 1.000 1 A 43.850 1 ATOM 771 O O . HIS 97 97 ? A -28.607 11.267 -17.047 1.000 1 A 43.850 1 ATOM 772 C CB . HIS 97 97 ? A -26.840 12.408 -14.797 1.000 1 A 43.850 1 ATOM 773 C CG . HIS 97 97 ? A -26.266 12.616 -13.432 1.000 1 A 43.850 1 ATOM 774 N ND1 . HIS 97 97 ? A -26.755 13.561 -12.555 1.000 1 A 43.850 1 ATOM 775 C CD2 . HIS 97 97 ? A -25.245 11.998 -12.792 1.000 1 A 43.850 1 ATOM 776 C CE1 . HIS 97 97 ? A -26.057 13.514 -11.433 1.000 1 A 43.850 1 ATOM 777 N NE2 . HIS 97 97 ? A -25.135 12.574 -11.551 1.000 1 A 43.850 1 ATOM 778 N N . SER 98 98 ? A -29.842 13.050 -16.352 1.000 1 A 44.860 1 ATOM 779 C CA . SER 98 98 ? A -29.745 14.142 -17.316 1.000 1 A 44.860 1 ATOM 780 C C . SER 98 98 ? A -30.993 15.018 -17.285 1.000 1 A 44.860 1 ATOM 781 O O . SER 98 98 ? A -32.113 14.517 -17.401 1.000 1 A 44.860 1 ATOM 782 C CB . SER 98 98 ? A -29.532 13.594 -18.728 1.000 1 A 44.860 1 ATOM 783 O OG . SER 98 98 ? A -29.223 14.640 -19.632 1.000 1 A 44.860 1 ATOM 784 N N . PRO 99 99 ? A -30.755 16.381 -17.536 1.000 1 A 54.520 1 ATOM 785 C CA . PRO 99 99 ? A -31.150 17.738 -17.152 1.000 1 A 54.520 1 ATOM 786 C C . PRO 99 99 ? A -31.857 18.487 -18.279 1.000 1 A 54.520 1 ATOM 787 O O . PRO 99 99 ? A -31.789 18.072 -19.439 1.000 1 A 54.520 1 ATOM 788 C CB . PRO 99 99 ? A -29.819 18.407 -16.801 1.000 1 A 54.520 1 ATOM 789 C CG . PRO 99 99 ? A -28.831 17.814 -17.753 1.000 1 A 54.520 1 ATOM 790 C CD . PRO 99 99 ? A -29.512 16.726 -18.532 1.000 1 A 54.520 1 ATOM 791 N N . GLN 100 100 ? A -32.903 19.403 -17.851 1.000 1 A 51.810 1 ATOM 792 C CA . GLN 100 100 ? A -33.099 20.779 -18.294 1.000 1 A 51.810 1 ATOM 793 C C . GLN 100 100 ? A -34.441 21.326 -17.815 1.000 1 A 51.810 1 ATOM 794 O O . GLN 100 100 ? A -35.479 20.688 -18.001 1.000 1 A 51.810 1 ATOM 795 C CB . GLN 100 100 ? A -33.008 20.871 -19.818 1.000 1 A 51.810 1 ATOM 796 C CG . GLN 100 100 ? A -31.581 20.898 -20.349 1.000 1 A 51.810 1 ATOM 797 C CD . GLN 100 100 ? A -31.440 21.727 -21.611 1.000 1 A 51.810 1 ATOM 798 O OE1 . GLN 100 100 ? A -32.387 21.858 -22.393 1.000 1 A 51.810 1 ATOM 799 N NE2 . GLN 100 100 ? A -30.256 22.293 -21.820 1.000 1 A 51.810 1 ATOM 800 N N . ASP 101 101 ? A -34.449 22.352 -16.875 1.000 1 A 46.000 1 ATOM 801 C CA . ASP 101 101 ? A -34.555 23.806 -16.824 1.000 1 A 46.000 1 ATOM 802 C C . ASP 101 101 ? A -35.949 24.240 -16.376 1.000 1 A 46.000 1 ATOM 803 O O . ASP 101 101 ? A -36.952 23.825 -16.960 1.000 1 A 46.000 1 ATOM 804 C CB . ASP 101 101 ? A -34.229 24.416 -18.190 1.000 1 A 46.000 1 ATOM 805 C CG . ASP 101 101 ? A -32.743 24.647 -18.396 1.000 1 A 46.000 1 ATOM 806 O OD1 . ASP 101 101 ? A -31.993 24.727 -17.398 1.000 1 A 46.000 1 ATOM 807 O OD2 . ASP 101 101 ? A -32.317 24.754 -19.566 1.000 1 A 46.000 1 ATOM 808 N N . THR 102 102 ? A -36.077 24.777 -15.120 1.000 1 A 52.850 1 ATOM 809 C CA . THR 102 102 ? A -36.565 26.106 -14.768 1.000 1 A 52.850 1 ATOM 810 C C . THR 102 102 ? A -36.834 26.204 -13.269 1.000 1 A 52.850 1 ATOM 811 O O . THR 102 102 ? A -37.398 25.283 -12.673 1.000 1 A 52.850 1 ATOM 812 C CB . THR 102 102 ? A -37.847 26.455 -15.546 1.000 1 A 52.850 1 ATOM 813 O OG1 . THR 102 102 ? A -38.723 25.320 -15.545 1.000 1 A 52.850 1 ATOM 814 C CG2 . THR 102 102 ? A -37.530 26.837 -16.988 1.000 1 A 52.850 1 ATOM 815 N N . LEU 103 103 ? A -35.855 26.734 -12.510 1.000 1 A 43.220 1 ATOM 816 C CA . LEU 103 103 ? A -35.839 27.962 -11.723 1.000 1 A 43.220 1 ATOM 817 C C . LEU 103 103 ? A -36.670 27.805 -10.454 1.000 1 A 43.220 1 ATOM 818 O O . LEU 103 103 ? A -37.885 27.607 -10.523 1.000 1 A 43.220 1 ATOM 819 C CB . LEU 103 103 ? A -36.368 29.136 -12.550 1.000 1 A 43.220 1 ATOM 820 C CG . LEU 103 103 ? A -35.352 30.221 -12.915 1.000 1 A 43.220 1 ATOM 821 C CD1 . LEU 103 103 ? A -35.206 30.323 -14.429 1.000 1 A 43.220 1 ATOM 822 C CD2 . LEU 103 103 ? A -35.766 31.563 -12.321 1.000 1 A 43.220 1 ATOM 823 N N . LYS 104 104 ? A -36.077 27.242 -9.402 1.000 1 A 54.270 1 ATOM 824 C CA . LYS 104 104 ? A -36.487 27.486 -8.022 1.000 1 A 54.270 1 ATOM 825 C C . LYS 104 104 ? A -35.327 27.261 -7.057 1.000 1 A 54.270 1 ATOM 826 O O . LYS 104 104 ? A -34.724 26.186 -7.041 1.000 1 A 54.270 1 ATOM 827 C CB . LYS 104 104 ? A -37.664 26.586 -7.645 1.000 1 A 54.270 1 ATOM 828 C CG . LYS 104 104 ? A -39.024 27.253 -7.790 1.000 1 A 54.270 1 ATOM 829 C CD . LYS 104 104 ? A -40.145 26.352 -7.288 1.000 1 A 54.270 1 ATOM 830 C CE . LYS 104 104 ? A -41.511 26.997 -7.482 1.000 1 A 54.270 1 ATOM 831 N NZ . LYS 104 104 ? A -42.569 26.303 -6.689 1.000 1 A 54.270 1 ATOM 832 N N . HIS 105 105 ? A -34.549 28.298 -6.781 1.000 1 A 45.000 1 ATOM 833 C CA . HIS 105 105 ? A -33.758 28.932 -5.733 1.000 1 A 45.000 1 ATOM 834 C C . HIS 105 105 ? A -34.268 28.546 -4.348 1.000 1 A 45.000 1 ATOM 835 O O . HIS 105 105 ? A -35.440 28.762 -4.031 1.000 1 A 45.000 1 ATOM 836 C CB . HIS 105 105 ? A -33.776 30.453 -5.894 1.000 1 A 45.000 1 ATOM 837 C CG . HIS 105 105 ? A -32.824 30.957 -6.931 1.000 1 A 45.000 1 ATOM 838 N ND1 . HIS 105 105 ? A -31.461 30.778 -6.840 1.000 1 A 45.000 1 ATOM 839 C CD2 . HIS 105 105 ? A -33.042 31.634 -8.083 1.000 1 A 45.000 1 ATOM 840 C CE1 . HIS 105 105 ? A -30.879 31.325 -7.895 1.000 1 A 45.000 1 ATOM 841 N NE2 . HIS 105 105 ? A -31.817 31.851 -8.665 1.000 1 A 45.000 1 ATOM 842 N N . GLY 106 106 ? A -33.710 27.485 -3.707 1.000 1 A 47.820 1 ATOM 843 C CA . GLY 106 106 ? A -33.646 27.409 -2.256 1.000 1 A 47.820 1 ATOM 844 C C . GLY 106 106 ? A -32.569 26.466 -1.755 1.000 1 A 47.820 1 ATOM 845 O O . GLY 106 106 ? A -32.470 25.327 -2.217 1.000 1 A 47.820 1 ATOM 846 N N . GLY 107 107 ? A -31.393 27.079 -1.269 1.000 1 A 44.160 1 ATOM 847 C CA . GLY 107 107 ? A -30.771 26.648 -0.027 1.000 1 A 44.160 1 ATOM 848 C C . GLY 107 107 ? A -29.480 27.385 0.280 1.000 1 A 44.160 1 ATOM 849 O O . GLY 107 107 ? A -28.637 27.564 -0.601 1.000 1 A 44.160 1 ATOM 850 N N . GLY 108 108 ? A -29.502 28.327 1.205 1.000 1 A 46.760 1 ATOM 851 C CA . GLY 108 108 ? A -28.504 28.265 2.261 1.000 1 A 46.760 1 ATOM 852 C C . GLY 108 108 ? A -28.242 29.609 2.915 1.000 1 A 46.760 1 ATOM 853 O O . GLY 108 108 ? A -28.172 30.633 2.233 1.000 1 A 46.760 1 ATOM 854 N N . LYS 109 109 ? A -28.748 29.849 4.123 1.000 1 A 50.930 1 ATOM 855 C CA . LYS 109 109 ? A -28.014 30.169 5.344 1.000 1 A 50.930 1 ATOM 856 C C . LYS 109 109 ? A -28.554 31.440 5.994 1.000 1 A 50.930 1 ATOM 857 O O . LYS 109 109 ? A -28.775 32.445 5.315 1.000 1 A 50.930 1 ATOM 858 C CB . LYS 109 109 ? A -26.522 30.325 5.048 1.000 1 A 50.930 1 ATOM 859 C CG . LYS 109 109 ? A -25.786 29.006 4.863 1.000 1 A 50.930 1 ATOM 860 C CD . LYS 109 109 ? A -24.278 29.211 4.801 1.000 1 A 50.930 1 ATOM 861 C CE . LYS 109 109 ? A -23.543 27.899 4.564 1.000 1 A 50.930 1 ATOM 862 N NZ . LYS 109 109 ? A -22.062 28.086 4.559 1.000 1 A 50.930 1 ATOM 863 N N . ARG 110 110 ? A -29.340 31.336 7.069 1.000 1 A 45.420 1 ATOM 864 C CA . ARG 110 110 ? A -29.120 31.716 8.461 1.000 1 A 45.420 1 ATOM 865 C C . ARG 110 110 ? A -28.823 33.207 8.581 1.000 1 A 45.420 1 ATOM 866 O O . ARG 110 110 ? A -27.927 33.723 7.910 1.000 1 A 45.420 1 ATOM 867 C CB . ARG 110 110 ? A -27.973 30.903 9.065 1.000 1 A 45.420 1 ATOM 868 C CG . ARG 110 110 ? A -28.416 29.599 9.710 1.000 1 A 45.420 1 ATOM 869 C CD . ARG 110 110 ? A -27.259 28.892 10.404 1.000 1 A 45.420 1 ATOM 870 N NE . ARG 110 110 ? A -27.606 27.521 10.767 1.000 1 A 45.420 1 ATOM 871 C CZ . ARG 110 110 ? A -26.823 26.700 11.461 1.000 1 A 45.420 1 ATOM 872 N NH1 . ARG 110 110 ? A -25.628 27.097 11.883 1.000 1 A 45.420 1 ATOM 873 N NH2 . ARG 110 110 ? A -27.237 25.472 11.736 1.000 1 A 45.420 1 ATOM 874 N N . ASP 111 111 ? A -29.858 34.033 8.944 1.000 1 A 52.600 1 ATOM 875 C CA . ASP 111 111 ? A -29.964 34.904 10.111 1.000 1 A 52.600 1 ATOM 876 C C . ASP 111 111 ? A -31.039 35.969 9.906 1.000 1 A 52.600 1 ATOM 877 O O . ASP 111 111 ? A -30.945 36.785 8.987 1.000 1 A 52.600 1 ATOM 878 C CB . ASP 111 111 ? A -28.618 35.567 10.409 1.000 1 A 52.600 1 ATOM 879 C CG . ASP 111 111 ? A -27.580 34.591 10.936 1.000 1 A 52.600 1 ATOM 880 O OD1 . ASP 111 111 ? A -27.950 33.636 11.653 1.000 1 A 52.600 1 ATOM 881 O OD2 . ASP 111 111 ? A -26.382 34.781 10.635 1.000 1 A 52.600 1 ATOM 882 N N . GLU 112 112 ? A -32.166 35.760 10.304 1.000 1 A 44.010 1 ATOM 883 C CA . GLU 112 112 ? A -33.317 36.361 10.972 1.000 1 A 44.010 1 ATOM 884 C C . GLU 112 112 ? A -32.944 36.874 12.360 1.000 1 A 44.010 1 ATOM 885 O O . GLU 112 112 ? A -32.391 36.132 13.173 1.000 1 A 44.010 1 ATOM 886 C CB . GLU 112 112 ? A -34.466 35.354 11.074 1.000 1 A 44.010 1 ATOM 887 C CG . GLU 112 112 ? A -35.535 35.530 10.007 1.000 1 A 44.010 1 ATOM 888 C CD . GLU 112 112 ? A -36.804 34.743 10.293 1.000 1 A 44.010 1 ATOM 889 O OE1 . GLU 112 112 ? A -37.868 35.077 9.722 1.000 1 A 44.010 1 ATOM 890 O OE2 . GLU 112 112 ? A -36.735 33.785 11.095 1.000 1 A 44.010 1 ATOM 891 N N . LEU 113 113 ? A -32.728 38.208 12.508 1.000 1 A 57.890 1 ATOM 892 C CA . LEU 113 113 ? A -33.343 39.031 13.544 1.000 1 A 57.890 1 ATOM 893 C C . LEU 113 113 ? A -33.203 40.514 13.215 1.000 1 A 57.890 1 ATOM 894 O O . LEU 113 113 ? A -32.096 40.996 12.966 1.000 1 A 57.890 1 ATOM 895 C CB . LEU 113 113 ? A -32.713 38.737 14.907 1.000 1 A 57.890 1 ATOM 896 C CG . LEU 113 113 ? A -32.995 37.356 15.501 1.000 1 A 57.890 1 ATOM 897 C CD1 . LEU 113 113 ? A -32.077 37.093 16.690 1.000 1 A 57.890 1 ATOM 898 C CD2 . LEU 113 113 ? A -34.458 37.239 15.913 1.000 1 A 57.890 1 ATOM 899 N N . ALA 114 114 ? A -34.260 41.223 12.705 1.000 1 A 48.090 1 ATOM 900 C CA . ALA 114 114 ? A -35.276 42.123 13.244 1.000 1 A 48.090 1 ATOM 901 C C . ALA 114 114 ? A -34.695 43.016 14.337 1.000 1 A 48.090 1 ATOM 902 O O . ALA 114 114 ? A -33.986 42.538 15.226 1.000 1 A 48.090 1 ATOM 903 C CB . ALA 114 114 ? A -36.459 41.325 13.788 1.000 1 A 48.090 1 ATOM 904 N N . SER 115 115 ? A -34.578 44.360 14.068 1.000 1 A 52.340 1 ATOM 905 C CA . SER 115 115 ? A -35.313 45.301 14.906 1.000 1 A 52.340 1 ATOM 906 C C . SER 115 115 ? A -34.560 46.620 15.048 1.000 1 A 52.340 1 ATOM 907 O O . SER 115 115 ? A -33.388 46.633 15.430 1.000 1 A 52.340 1 ATOM 908 C CB . SER 115 115 ? A -35.570 44.700 16.289 1.000 1 A 52.340 1 ATOM 909 O OG . SER 115 115 ? A -36.556 45.443 16.985 1.000 1 A 52.340 1 ATOM 910 N N . SER 116 116 ? A -35.020 47.758 14.392 1.000 1 A 49.160 1 ATOM 911 C CA . SER 116 116 ? A -35.767 48.973 14.698 1.000 1 A 49.160 1 ATOM 912 C C . SER 116 116 ? A -34.994 49.871 15.657 1.000 1 A 49.160 1 ATOM 913 O O . SER 116 116 ? A -34.481 49.405 16.676 1.000 1 A 49.160 1 ATOM 914 C CB . SER 116 116 ? A -37.131 48.627 15.298 1.000 1 A 49.160 1 ATOM 915 O OG . SER 116 116 ? A -37.002 48.263 16.662 1.000 1 A 49.160 1 ATOM 916 N N . GLY 117 117 ? A -34.607 51.079 15.197 1.000 1 A 43.000 1 ATOM 917 C CA . GLY 117 117 ? A -35.103 52.401 15.546 1.000 1 A 43.000 1 ATOM 918 C C . GLY 117 117 ? A -34.400 53.004 16.747 1.000 1 A 43.000 1 ATOM 919 O O . GLY 117 117 ? A -34.204 52.331 17.761 1.000 1 A 43.000 1 ATOM 920 N N . SER 118 118 ? A -33.636 54.139 16.519 1.000 1 A 49.800 1 ATOM 921 C CA . SER 118 118 ? A -33.847 55.420 17.186 1.000 1 A 49.800 1 ATOM 922 C C . SER 118 118 ? A -32.556 56.231 17.245 1.000 1 A 49.800 1 ATOM 923 O O . SER 118 118 ? A -31.496 55.697 17.577 1.000 1 A 49.800 1 ATOM 924 C CB . SER 118 118 ? A -34.389 55.206 18.599 1.000 1 A 49.800 1 ATOM 925 O OG . SER 118 118 ? A -33.401 54.628 19.435 1.000 1 A 49.800 1 ATOM 926 N N . GLN 119 119 ? A -32.466 57.433 16.501 1.000 1 A 41.660 1 ATOM 927 C CA . GLN 119 119 ? A -32.499 58.885 16.636 1.000 1 A 41.660 1 ATOM 928 C C . GLN 119 119 ? A -31.602 59.352 17.778 1.000 1 A 41.660 1 ATOM 929 O O . GLN 119 119 ? A -31.605 58.760 18.859 1.000 1 A 41.660 1 ATOM 930 C CB . GLN 119 119 ? A -33.932 59.372 16.861 1.000 1 A 41.660 1 ATOM 931 C CG . GLN 119 119 ? A -34.822 59.253 15.632 1.000 1 A 41.660 1 ATOM 932 C CD . GLN 119 119 ? A -36.143 59.983 15.791 1.000 1 A 41.660 1 ATOM 933 O OE1 . GLN 119 119 ? A -36.370 60.673 16.790 1.000 1 A 41.660 1 ATOM 934 N NE2 . GLN 119 119 ? A -37.023 59.837 14.807 1.000 1 A 41.660 1 ATOM 935 N N . ILE 120 120 ? A -30.630 60.280 17.500 1.000 1 A 46.040 1 ATOM 936 C CA . ILE 120 120 ? A -30.360 61.677 17.822 1.000 1 A 46.040 1 ATOM 937 C C . ILE 120 120 ? A -29.324 61.758 18.941 1.000 1 A 46.040 1 ATOM 938 O O . ILE 120 120 ? A -29.469 61.106 19.978 1.000 1 A 46.040 1 ATOM 939 C CB . ILE 120 120 ? A -31.650 62.422 18.231 1.000 1 A 46.040 1 ATOM 940 C CG1 . ILE 120 120 ? A -32.694 62.339 17.111 1.000 1 A 46.040 1 ATOM 941 C CG2 . ILE 120 120 ? A -31.343 63.880 18.585 1.000 1 A 46.040 1 ATOM 942 C CD1 . ILE 120 120 ? A -34.075 62.837 17.514 1.000 1 A 46.040 1 ATOM 943 N N . ALA 121 121 ? A -28.096 62.375 18.652 1.000 1 A 44.070 1 ATOM 944 C CA . ALA 121 121 ? A -27.534 63.576 19.264 1.000 1 A 44.070 1 ATOM 945 C C . ALA 121 121 ? A -26.037 63.415 19.513 1.000 1 A 44.070 1 ATOM 946 O O . ALA 121 121 ? A -25.593 62.383 20.020 1.000 1 A 44.070 1 ATOM 947 C CB . ALA 121 121 ? A -28.256 63.895 20.570 1.000 1 A 44.070 1 ATOM 948 N N . VAL 122 122 ? A -25.141 64.200 18.813 1.000 1 A 46.240 1 ATOM 949 C CA . VAL 122 122 ? A -24.232 65.309 19.085 1.000 1 A 46.240 1 ATOM 950 C C . VAL 122 122 ? A -23.059 64.821 19.931 1.000 1 A 46.240 1 ATOM 951 O O . VAL 122 122 ? A -23.256 64.162 20.954 1.000 1 A 46.240 1 ATOM 952 C CB . VAL 122 122 ? A -24.956 66.474 19.797 1.000 1 A 46.240 1 ATOM 953 C CG1 . VAL 122 122 ? A -24.390 67.819 19.346 1.000 1 A 46.240 1 ATOM 954 C CG2 . VAL 122 122 ? A -26.459 66.408 19.534 1.000 1 A 46.240 1 ATOM 955 N N . GLU 123 123 ? A -21.840 64.756 19.369 1.000 1 A 43.470 1 ATOM 956 C CA . GLU 123 123 ? A -20.540 65.373 19.613 1.000 1 A 43.470 1 ATOM 957 C C . GLU 123 123 ? A -19.535 64.354 20.141 1.000 1 A 43.470 1 ATOM 958 O O . GLU 123 123 ? A -19.852 63.569 21.037 1.000 1 A 43.470 1 ATOM 959 C CB . GLU 123 123 ? A -20.674 66.539 20.596 1.000 1 A 43.470 1 ATOM 960 C CG . GLU 123 123 ? A -21.053 67.858 19.939 1.000 1 A 43.470 1 ATOM 961 C CD . GLU 123 123 ? A -20.285 69.047 20.494 1.000 1 A 43.470 1 ATOM 962 O OE1 . GLU 123 123 ? A -20.303 70.129 19.864 1.000 1 A 43.470 1 ATOM 963 O OE2 . GLU 123 123 ? A -19.660 68.896 21.567 1.000 1 A 43.470 1 ATOM 964 N N . ASP 124 124 ? A -18.471 64.108 19.334 1.000 1 A 47.510 1 ATOM 965 C CA . ASP 124 124 ? A -17.064 64.170 19.719 1.000 1 A 47.510 1 ATOM 966 C C . ASP 124 124 ? A -16.441 62.776 19.749 1.000 1 A 47.510 1 ATOM 967 O O . ASP 124 124 ? A -16.975 61.865 20.385 1.000 1 A 47.510 1 ATOM 968 C CB . ASP 124 124 ? A -16.910 64.845 21.083 1.000 1 A 47.510 1 ATOM 969 C CG . ASP 124 124 ? A -16.656 66.338 20.981 1.000 1 A 47.510 1 ATOM 970 O OD1 . ASP 124 124 ? A -16.348 66.830 19.874 1.000 1 A 47.510 1 ATOM 971 O OD2 . ASP 124 124 ? A -16.762 67.029 22.017 1.000 1 A 47.510 1 ATOM 972 N N . PHE 125 125 ? A -15.618 62.476 18.731 1.000 1 A 46.560 1 ATOM 973 C CA . PHE 125 125 ? A -14.283 61.959 18.456 1.000 1 A 46.560 1 ATOM 974 C C . PHE 125 125 ? A -13.958 60.784 19.370 1.000 1 A 46.560 1 ATOM 975 O O . PHE 125 125 ? A -14.148 60.865 20.585 1.000 1 A 46.560 1 ATOM 976 C CB . PHE 125 125 ? A -13.233 63.062 18.625 1.000 1 A 46.560 1 ATOM 977 C CG . PHE 125 125 ? A -12.863 63.751 17.340 1.000 1 A 46.560 1 ATOM 978 C CD1 . PHE 125 125 ? A -11.907 63.206 16.492 1.000 1 A 46.560 1 ATOM 979 C CD2 . PHE 125 125 ? A -13.473 64.946 16.979 1.000 1 A 46.560 1 ATOM 980 C CE1 . PHE 125 125 ? A -11.563 63.842 15.302 1.000 1 A 46.560 1 ATOM 981 C CE2 . PHE 125 125 ? A -13.134 65.587 15.791 1.000 1 A 46.560 1 ATOM 982 C CZ . PHE 125 125 ? A -12.178 65.034 14.954 1.000 1 A 46.560 1 ATOM 983 N N . HIS 126 126 ? A -13.732 59.610 18.702 1.000 1 A 40.490 1 ATOM 984 C CA . HIS 126 126 ? A -12.667 58.647 18.447 1.000 1 A 40.490 1 ATOM 985 C C . HIS 126 126 ? A -12.911 57.343 19.201 1.000 1 A 40.490 1 ATOM 986 O O . HIS 126 126 ? A -13.245 57.361 20.388 1.000 1 A 40.490 1 ATOM 987 C CB . HIS 126 126 ? A -11.309 59.233 18.839 1.000 1 A 40.490 1 ATOM 988 C CG . HIS 126 126 ? A -10.602 59.914 17.710 1.000 1 A 40.490 1 ATOM 989 N ND1 . HIS 126 126 ? A -9.862 59.226 16.773 1.000 1 A 40.490 1 ATOM 990 C CD2 . HIS 126 126 ? A -10.526 61.222 17.369 1.000 1 A 40.490 1 ATOM 991 C CE1 . HIS 126 126 ? A -9.359 60.084 15.901 1.000 1 A 40.490 1 ATOM 992 N NE2 . HIS 126 126 ? A -9.747 61.302 16.240 1.000 1 A 40.490 1 ATOM 993 N N . VAL 127 127 ? A -12.911 56.274 18.486 1.000 1 A 43.680 1 ATOM 994 C CA . VAL 127 127 ? A -11.906 55.222 18.371 1.000 1 A 43.680 1 ATOM 995 C C . VAL 127 127 ? A -12.540 53.866 18.673 1.000 1 A 43.680 1 ATOM 996 O O . VAL 127 127 ? A -13.209 53.700 19.695 1.000 1 A 43.680 1 ATOM 997 C CB . VAL 127 127 ? A -10.711 55.474 19.318 1.000 1 A 43.680 1 ATOM 998 C CG1 . VAL 127 127 ? A -9.635 54.407 19.124 1.000 1 A 43.680 1 ATOM 999 C CG2 . VAL 127 127 ? A -10.132 56.869 19.086 1.000 1 A 43.680 1 ATOM 1000 N N . SER 128 128 ? A -12.437 52.953 17.734 1.000 1 A 43.330 1 ATOM 1001 C CA . SER 128 128 ? A -11.480 51.852 17.693 1.000 1 A 43.330 1 ATOM 1002 C C . SER 128 128 ? A -12.190 50.507 17.589 1.000 1 A 43.330 1 ATOM 1003 O O . SER 128 128 ? A -13.109 50.223 18.361 1.000 1 A 43.330 1 ATOM 1004 C CB . SER 128 128 ? A -10.586 51.872 18.933 1.000 1 A 43.330 1 ATOM 1005 O OG . SER 128 128 ? A -11.360 52.029 20.109 1.000 1 A 43.330 1 ATOM 1006 N N . VAL 129 129 ? A -12.198 49.873 16.451 1.000 1 A 50.610 1 ATOM 1007 C CA . VAL 129 129 ? A -12.120 48.424 16.295 1.000 1 A 50.610 1 ATOM 1008 C C . VAL 129 129 ? A -10.701 48.021 15.902 1.000 1 A 50.610 1 ATOM 1009 O O . VAL 129 129 ? A -10.139 48.560 14.945 1.000 1 A 50.610 1 ATOM 1010 C CB . VAL 129 129 ? A -13.131 47.911 15.245 1.000 1 A 50.610 1 ATOM 1011 C CG1 . VAL 129 129 ? A -13.908 46.711 15.784 1.000 1 A 50.610 1 ATOM 1012 C CG2 . VAL 129 129 ? A -14.086 49.030 14.834 1.000 1 A 50.610 1 ATOM 1013 N N . SER 130 130 ? A -10.000 47.441 16.892 1.000 1 A 51.500 1 ATOM 1014 C CA . SER 130 130 ? A -9.537 46.173 17.445 1.000 1 A 51.500 1 ATOM 1015 C C . SER 130 130 ? A -8.305 45.664 16.705 1.000 1 A 51.500 1 ATOM 1016 O O . SER 130 130 ? A -8.270 45.666 15.472 1.000 1 A 51.500 1 ATOM 1017 C CB . SER 130 130 ? A -10.648 45.124 17.384 1.000 1 A 51.500 1 ATOM 1018 O OG . SER 130 130 ? A -11.358 45.072 18.610 1.000 1 A 51.500 1 ATOM 1019 N N . PRO 131 131 ? A -7.403 44.978 17.394 1.000 1 A 47.430 1 ATOM 1020 C CA . PRO 131 131 ? A -6.086 44.733 17.986 1.000 1 A 47.430 1 ATOM 1021 C C . PRO 131 131 ? A -5.409 43.485 17.423 1.000 1 A 47.430 1 ATOM 1022 O O . PRO 131 131 ? A -6.088 42.569 16.952 1.000 1 A 47.430 1 ATOM 1023 C CB . PRO 131 131 ? A -6.394 44.562 19.475 1.000 1 A 47.430 1 ATOM 1024 C CG . PRO 131 131 ? A -7.727 43.886 19.515 1.000 1 A 47.430 1 ATOM 1025 C CD . PRO 131 131 ? A -8.256 43.793 18.112 1.000 1 A 47.430 1 ATOM 1026 N N . LYS 132 132 ? A -4.205 43.643 16.993 1.000 1 A 53.330 1 ATOM 1027 C CA . LYS 132 132 ? A -3.171 42.661 17.307 1.000 1 A 53.330 1 ATOM 1028 C C . LYS 132 132 ? A -1.799 43.321 17.409 1.000 1 A 53.330 1 ATOM 1029 O O . LYS 132 132 ? A -1.352 43.985 16.471 1.000 1 A 53.330 1 ATOM 1030 C CB . LYS 132 132 ? A -3.144 41.554 16.252 1.000 1 A 53.330 1 ATOM 1031 C CG . LYS 132 132 ? A -3.740 40.236 16.722 1.000 1 A 53.330 1 ATOM 1032 C CD . LYS 132 132 ? A -4.217 39.389 15.549 1.000 1 A 53.330 1 ATOM 1033 C CE . LYS 132 132 ? A -4.701 38.020 16.008 1.000 1 A 53.330 1 ATOM 1034 N NZ . LYS 132 132 ? A -5.278 37.229 14.880 1.000 1 A 53.330 1 ATOM 1035 N N . SER 133 133 ? A -1.286 43.642 18.614 1.000 1 A 50.340 1 ATOM 1036 C CA . SER 133 133 ? A -0.186 43.647 19.574 1.000 1 A 50.340 1 ATOM 1037 C C . SER 133 133 ? A 1.090 43.087 18.956 1.000 1 A 50.340 1 ATOM 1038 O O . SER 133 133 ? A 1.066 42.032 18.317 1.000 1 A 50.340 1 ATOM 1039 C CB . SER 133 133 ? A -0.557 42.840 20.818 1.000 1 A 50.340 1 ATOM 1040 O OG . SER 133 133 ? A -1.878 43.138 21.236 1.000 1 A 50.340 1 ATOM 1041 N N . TYR 134 134 ? A 2.116 43.992 18.739 1.000 1 A 51.420 1 ATOM 1042 C CA . TYR 134 134 ? A 3.397 44.047 19.433 1.000 1 A 51.420 1 ATOM 1043 C C . TYR 134 134 ? A 4.331 45.056 18.776 1.000 1 A 51.420 1 ATOM 1044 O O . TYR 134 134 ? A 4.518 45.037 17.557 1.000 1 A 51.420 1 ATOM 1045 C CB . TYR 134 134 ? A 4.056 42.664 19.455 1.000 1 A 51.420 1 ATOM 1046 C CG . TYR 134 134 ? A 4.030 42.001 20.811 1.000 1 A 51.420 1 ATOM 1047 C CD1 . TYR 134 134 ? A 5.078 42.174 21.712 1.000 1 A 51.420 1 ATOM 1048 C CD2 . TYR 134 134 ? A 2.959 41.200 21.193 1.000 1 A 51.420 1 ATOM 1049 C CE1 . TYR 134 134 ? A 5.060 41.563 22.962 1.000 1 A 51.420 1 ATOM 1050 C CE2 . TYR 134 134 ? A 2.930 40.584 22.440 1.000 1 A 51.420 1 ATOM 1051 C CZ . TYR 134 134 ? A 3.983 40.772 23.316 1.000 1 A 51.420 1 ATOM 1052 O OH . TYR 134 134 ? A 3.960 40.165 24.552 1.000 1 A 51.420 1 ATOM 1053 N N . ARG 135 135 ? A 4.518 46.239 19.395 1.000 1 A 47.480 1 ATOM 1054 C CA . ARG 135 135 ? A 5.594 46.669 20.282 1.000 1 A 47.480 1 ATOM 1055 C C . ARG 135 135 ? A 6.440 47.757 19.628 1.000 1 A 47.480 1 ATOM 1056 O O . ARG 135 135 ? A 6.966 47.565 18.530 1.000 1 A 47.480 1 ATOM 1057 C CB . ARG 135 135 ? A 6.477 45.482 20.673 1.000 1 A 47.480 1 ATOM 1058 C CG . ARG 135 135 ? A 6.935 45.506 22.122 1.000 1 A 47.480 1 ATOM 1059 C CD . ARG 135 135 ? A 7.991 44.444 22.397 1.000 1 A 47.480 1 ATOM 1060 N NE . ARG 135 135 ? A 8.305 44.352 23.820 1.000 1 A 47.480 1 ATOM 1061 C CZ . ARG 135 135 ? A 9.433 43.853 24.317 1.000 1 A 47.480 1 ATOM 1062 N NH1 . ARG 135 135 ? A 10.382 43.389 23.512 1.000 1 A 47.480 1 ATOM 1063 N NH2 . ARG 135 135 ? A 9.615 43.817 25.629 1.000 1 A 47.480 1 ATOM 1064 N N . ARG 136 136 ? A 6.270 49.039 20.012 1.000 1 A 48.120 1 ATOM 1065 C CA . ARG 136 136 ? A 6.917 49.963 20.939 1.000 1 A 48.120 1 ATOM 1066 C C . ARG 136 136 ? A 8.134 50.620 20.297 1.000 1 A 48.120 1 ATOM 1067 O O . ARG 136 136 ? A 9.027 49.931 19.799 1.000 1 A 48.120 1 ATOM 1068 C CB . ARG 136 136 ? A 7.328 49.237 22.222 1.000 1 A 48.120 1 ATOM 1069 C CG . ARG 136 136 ? A 7.031 50.016 23.493 1.000 1 A 48.120 1 ATOM 1070 C CD . ARG 136 136 ? A 7.423 49.234 24.739 1.000 1 A 48.120 1 ATOM 1071 N NE . ARG 136 136 ? A 6.276 48.553 25.331 1.000 1 A 48.120 1 ATOM 1072 C CZ . ARG 136 136 ? A 5.919 48.641 26.610 1.000 1 A 48.120 1 ATOM 1073 N NH1 . ARG 136 136 ? A 6.617 49.387 27.459 1.000 1 A 48.120 1 ATOM 1074 N NH2 . ARG 136 136 ? A 4.856 47.979 27.043 1.000 1 A 48.120 1 ATOM 1075 N N . SER 137 137 ? A 7.941 51.927 19.977 1.000 1 A 56.510 1 ATOM 1076 C CA . SER 137 137 ? A 8.556 53.065 20.651 1.000 1 A 56.510 1 ATOM 1077 C C . SER 137 137 ? A 8.372 54.349 19.849 1.000 1 A 56.510 1 ATOM 1078 O O . SER 137 137 ? A 8.678 54.391 18.655 1.000 1 A 56.510 1 ATOM 1079 C CB . SER 137 137 ? A 10.046 52.809 20.885 1.000 1 A 56.510 1 ATOM 1080 O OG . SER 137 137 ? A 10.331 51.422 20.840 1.000 1 A 56.510 1 ATOM 1081 N N . PHE 138 138 ? A 7.532 55.303 20.332 1.000 1 A 48.930 1 ATOM 1082 C CA . PHE 138 138 ? A 7.332 56.595 20.977 1.000 1 A 48.930 1 ATOM 1083 C C . PHE 138 138 ? A 8.563 57.478 20.813 1.000 1 A 48.930 1 ATOM 1084 O O . PHE 138 138 ? A 9.689 57.032 21.045 1.000 1 A 48.930 1 ATOM 1085 C CB . PHE 138 138 ? A 7.013 56.410 22.464 1.000 1 A 48.930 1 ATOM 1086 C CG . PHE 138 138 ? A 5.546 56.237 22.753 1.000 1 A 48.930 1 ATOM 1087 C CD1 . PHE 138 138 ? A 4.703 57.339 22.830 1.000 1 A 48.930 1 ATOM 1088 C CD2 . PHE 138 138 ? A 5.010 54.970 22.947 1.000 1 A 48.930 1 ATOM 1089 C CE1 . PHE 138 138 ? A 3.345 57.181 23.098 1.000 1 A 48.930 1 ATOM 1090 C CE2 . PHE 138 138 ? A 3.654 54.804 23.215 1.000 1 A 48.930 1 ATOM 1091 C CZ . PHE 138 138 ? A 2.824 55.911 23.290 1.000 1 A 48.930 1 ATOM 1092 N N . SER 139 139 ? A 8.396 58.603 20.116 1.000 1 A 55.240 1 ATOM 1093 C CA . SER 139 139 ? A 8.477 59.967 20.628 1.000 1 A 55.240 1 ATOM 1094 C C . SER 139 139 ? A 8.337 60.989 19.505 1.000 1 A 55.240 1 ATOM 1095 O O . SER 139 139 ? A 9.005 60.881 18.474 1.000 1 A 55.240 1 ATOM 1096 C CB . SER 139 139 ? A 9.799 60.185 21.365 1.000 1 A 55.240 1 ATOM 1097 O OG . SER 139 139 ? A 10.899 59.856 20.534 1.000 1 A 55.240 1 ATOM 1098 N N . GLY 140 140 ? A 7.153 61.714 19.486 1.000 1 A 46.980 1 ATOM 1099 C CA . GLY 140 140 ? A 6.631 62.981 19.971 1.000 1 A 46.980 1 ATOM 1100 C C . GLY 140 140 ? A 7.533 64.159 19.652 1.000 1 A 46.980 1 ATOM 1101 O O . GLY 140 140 ? A 8.753 64.072 19.804 1.000 1 A 46.980 1 ATOM 1102 N N . ALA 141 141 ? A 7.051 65.161 18.809 1.000 1 A 50.810 1 ATOM 1103 C CA . ALA 141 141 ? A 6.716 66.552 19.104 1.000 1 A 50.810 1 ATOM 1104 C C . ALA 141 141 ? A 7.309 67.493 18.059 1.000 1 A 50.810 1 ATOM 1105 O O . ALA 141 141 ? A 8.502 67.422 17.757 1.000 1 A 50.810 1 ATOM 1106 C CB . ALA 141 141 ? A 7.208 66.933 20.499 1.000 1 A 50.810 1 ATOM 1107 N N . SER 142 142 ? A 6.471 68.262 17.264 1.000 1 A 46.570 1 ATOM 1108 C CA . SER 142 142 ? A 5.903 69.597 17.109 1.000 1 A 46.570 1 ATOM 1109 C C . SER 142 142 ? A 6.405 70.266 15.833 1.000 1 A 46.570 1 ATOM 1110 O O . SER 142 142 ? A 7.597 70.208 15.523 1.000 1 A 46.570 1 ATOM 1111 C CB . SER 142 142 ? A 6.243 70.468 18.318 1.000 1 A 46.570 1 ATOM 1112 O OG . SER 142 142 ? A 5.111 70.628 19.157 1.000 1 A 46.570 1 ATOM 1113 N N . PRO 143 143 ? A 5.504 71.271 15.229 1.000 1 A 50.010 1 ATOM 1114 C CA . PRO 143 143 ? A 5.200 71.984 13.986 1.000 1 A 50.010 1 ATOM 1115 C C . PRO 143 143 ? A 5.576 73.463 14.047 1.000 1 A 50.010 1 ATOM 1116 O O . PRO 143 143 ? A 5.757 74.013 15.136 1.000 1 A 50.010 1 ATOM 1117 C CB . PRO 143 143 ? A 3.685 71.812 13.843 1.000 1 A 50.010 1 ATOM 1118 C CG . PRO 143 143 ? A 3.163 71.840 15.243 1.000 1 A 50.010 1 ATOM 1119 C CD . PRO 143 143 ? A 4.331 71.870 16.187 1.000 1 A 50.010 1 ATOM 1120 N N . GLY 144 144 ? A 6.335 74.040 12.986 1.000 1 A 48.770 1 ATOM 1121 C CA . GLY 144 144 ? A 6.428 75.434 12.583 1.000 1 A 48.770 1 ATOM 1122 C C . GLY 144 144 ? A 7.596 75.710 11.655 1.000 1 A 48.770 1 ATOM 1123 O O . GLY 144 144 ? A 8.686 75.167 11.842 1.000 1 A 48.770 1 ATOM 1124 N N . ALA 145 145 ? A 7.352 75.934 10.292 1.000 1 A 41.220 1 ATOM 1125 C CA . ALA 145 145 ? A 7.770 77.137 9.578 1.000 1 A 41.220 1 ATOM 1126 C C . ALA 145 145 ? A 8.903 76.830 8.602 1.000 1 A 41.220 1 ATOM 1127 O O . ALA 145 145 ? A 9.846 76.112 8.943 1.000 1 A 41.220 1 ATOM 1128 C CB . ALA 145 145 ? A 8.201 78.219 10.565 1.000 1 A 41.220 1 ATOM 1129 N N . SER 146 146 ? A 8.649 76.589 7.301 1.000 1 A 45.130 1 ATOM 1130 C CA . SER 146 146 ? A 9.384 76.969 6.099 1.000 1 A 45.130 1 ATOM 1131 C C . SER 146 146 ? A 9.529 75.789 5.144 1.000 1 A 45.130 1 ATOM 1132 O O . SER 146 146 ? A 10.018 74.726 5.532 1.000 1 A 45.130 1 ATOM 1133 C CB . SER 146 146 ? A 10.766 77.512 6.465 1.000 1 A 45.130 1 ATOM 1134 O OG . SER 146 146 ? A 10.657 78.756 7.135 1.000 1 A 45.130 1 ATOM 1135 N N . SER 147 147 ? A 8.540 75.407 4.378 1.000 1 A 40.300 1 ATOM 1136 C CA . SER 147 147 ? A 8.579 74.655 3.128 1.000 1 A 40.300 1 ATOM 1137 C C . SER 147 147 ? A 9.420 75.371 2.077 1.000 1 A 40.300 1 ATOM 1138 O O . SER 147 147 ? A 9.099 76.490 1.674 1.000 1 A 40.300 1 ATOM 1139 C CB . SER 147 147 ? A 7.164 74.431 2.593 1.000 1 A 40.300 1 ATOM 1140 O OG . SER 147 147 ? A 6.242 75.301 3.228 1.000 1 A 40.300 1 ATOM 1141 N N . LEU 148 148 ? A 10.736 75.537 2.249 1.000 1 A 45.700 1 ATOM 1142 C CA . LEU 148 148 ? A 11.951 75.504 1.443 1.000 1 A 45.700 1 ATOM 1143 C C . LEU 148 148 ? A 12.972 74.540 2.038 1.000 1 A 45.700 1 ATOM 1144 O O . LEU 148 148 ? A 13.265 74.601 3.235 1.000 1 A 45.700 1 ATOM 1145 C CB . LEU 148 148 ? A 12.559 76.905 1.332 1.000 1 A 45.700 1 ATOM 1146 C CG . LEU 148 148 ? A 12.087 77.757 0.153 1.000 1 A 45.700 1 ATOM 1147 C CD1 . LEU 148 148 ? A 12.091 79.234 0.531 1.000 1 A 45.700 1 ATOM 1148 C CD2 . LEU 148 148 ? A 12.964 77.511 -1.070 1.000 1 A 45.700 1 ATOM 1149 N N . LEU 149 149 ? A 12.917 73.265 1.768 1.000 1 A 49.970 1 ATOM 1150 C CA . LEU 149 149 ? A 14.020 72.351 1.491 1.000 1 A 49.970 1 ATOM 1151 C C . LEU 149 149 ? A 14.161 71.317 2.603 1.000 1 A 49.970 1 ATOM 1152 O O . LEU 149 149 ? A 14.346 71.674 3.769 1.000 1 A 49.970 1 ATOM 1153 C CB . LEU 149 149 ? A 15.331 73.125 1.328 1.000 1 A 49.970 1 ATOM 1154 C CG . LEU 149 149 ? A 15.542 73.825 -0.015 1.000 1 A 49.970 1 ATOM 1155 C CD1 . LEU 149 149 ? A 16.549 74.961 0.131 1.000 1 A 49.970 1 ATOM 1156 C CD2 . LEU 149 149 ? A 16.005 72.827 -1.071 1.000 1 A 49.970 1 ATOM 1157 N N . HIS 150 150 ? A 13.569 70.030 2.503 1.000 1 A 48.120 1 ATOM 1158 C CA . HIS 150 150 ? A 13.912 68.713 3.026 1.000 1 A 48.120 1 ATOM 1159 C C . HIS 150 150 ? A 15.110 68.123 2.291 1.000 1 A 48.120 1 ATOM 1160 O O . HIS 150 150 ? A 15.163 68.151 1.059 1.000 1 A 48.120 1 ATOM 1161 C CB . HIS 150 150 ? A 12.714 67.767 2.924 1.000 1 A 48.120 1 ATOM 1162 C CG . HIS 150 150 ? A 11.703 67.959 4.009 1.000 1 A 48.120 1 ATOM 1163 N ND1 . HIS 150 150 ? A 11.422 66.987 4.944 1.000 1 A 48.120 1 ATOM 1164 C CD2 . HIS 150 150 ? A 10.909 69.014 4.307 1.000 1 A 48.120 1 ATOM 1165 C CE1 . HIS 150 150 ? A 10.495 67.437 5.773 1.000 1 A 48.120 1 ATOM 1166 N NE2 . HIS 150 150 ? A 10.167 68.665 5.409 1.000 1 A 48.120 1 ATOM 1167 N N . PRO 151 151 ? A 16.147 67.866 3.036 1.000 1 A 56.320 1 ATOM 1168 C CA . PRO 151 151 ? A 17.446 67.188 3.035 1.000 1 A 56.320 1 ATOM 1169 C C . PRO 151 151 ? A 17.320 65.671 3.162 1.000 1 A 56.320 1 ATOM 1170 O O . PRO 151 151 ? A 16.507 65.179 3.949 1.000 1 A 56.320 1 ATOM 1171 C CB . PRO 151 151 ? A 18.154 67.781 4.255 1.000 1 A 56.320 1 ATOM 1172 C CG . PRO 151 151 ? A 17.059 68.064 5.233 1.000 1 A 56.320 1 ATOM 1173 C CD . PRO 151 151 ? A 15.741 67.828 4.553 1.000 1 A 56.320 1 ATOM 1174 N N . LYS 152 152 ? A 17.649 64.874 1.976 1.000 1 A 52.290 1 ATOM 1175 C CA . LYS 152 152 ? A 18.253 63.559 1.782 1.000 1 A 52.290 1 ATOM 1176 C C . LYS 152 152 ? A 19.774 63.632 1.888 1.000 1 A 52.290 1 ATOM 1177 O O . LYS 152 152 ? A 20.410 64.451 1.222 1.000 1 A 52.290 1 ATOM 1178 C CB . LYS 152 152 ? A 17.850 62.978 0.425 1.000 1 A 52.290 1 ATOM 1179 C CG . LYS 152 152 ? A 16.466 62.346 0.410 1.000 1 A 52.290 1 ATOM 1180 C CD . LYS 152 152 ? A 16.193 61.632 -0.908 1.000 1 A 52.290 1 ATOM 1181 C CE . LYS 152 152 ? A 14.896 60.836 -0.855 1.000 1 A 52.290 1 ATOM 1182 N NZ . LYS 152 152 ? A 14.565 60.228 -2.178 1.000 1 A 52.290 1 ATOM 1183 N N . GLU 153 153 ? A 20.414 63.551 3.034 1.000 1 A 51.600 1 ATOM 1184 C CA . GLU 153 153 ? A 21.718 63.009 3.403 1.000 1 A 51.600 1 ATOM 1185 C C . GLU 153 153 ? A 21.720 61.484 3.341 1.000 1 A 51.600 1 ATOM 1186 O O . GLU 153 153 ? A 20.874 60.832 3.956 1.000 1 A 51.600 1 ATOM 1187 C CB . GLU 153 153 ? A 22.119 63.479 4.803 1.000 1 A 51.600 1 ATOM 1188 C CG . GLU 153 153 ? A 23.316 64.420 4.817 1.000 1 A 51.600 1 ATOM 1189 C CD . GLU 153 153 ? A 23.609 64.998 6.192 1.000 1 A 51.600 1 ATOM 1190 O OE1 . GLU 153 153 ? A 24.531 65.836 6.315 1.000 1 A 51.600 1 ATOM 1191 O OE2 . GLU 153 153 ? A 22.911 64.609 7.155 1.000 1 A 51.600 1 ATOM 1192 N N . SER 154 154 ? A 22.230 60.946 2.271 1.000 1 A 47.020 1 ATOM 1193 C CA . SER 154 154 ? A 23.424 60.113 2.361 1.000 1 A 47.020 1 ATOM 1194 C C . SER 154 154 ? A 24.174 60.078 1.033 1.000 1 A 47.020 1 ATOM 1195 O O . SER 154 154 ? A 23.569 59.887 -0.023 1.000 1 A 47.020 1 ATOM 1196 C CB . SER 154 154 ? A 23.056 58.691 2.786 1.000 1 A 47.020 1 ATOM 1197 O OG . SER 154 154 ? A 21.960 58.208 2.029 1.000 1 A 47.020 1 ATOM 1198 N N . ARG 155 155 ? A 25.220 60.946 0.891 1.000 1 A 47.380 1 ATOM 1199 C CA . ARG 155 155 ? A 26.665 60.774 0.781 1.000 1 A 47.380 1 ATOM 1200 C C . ARG 155 155 ? A 27.034 60.064 -0.518 1.000 1 A 47.380 1 ATOM 1201 O O . ARG 155 155 ? A 26.598 58.937 -0.761 1.000 1 A 47.380 1 ATOM 1202 C CB . ARG 155 155 ? A 27.206 59.989 1.978 1.000 1 A 47.380 1 ATOM 1203 C CG . ARG 155 155 ? A 27.881 60.857 3.028 1.000 1 A 47.380 1 ATOM 1204 C CD . ARG 155 155 ? A 28.350 60.035 4.221 1.000 1 A 47.380 1 ATOM 1205 N NE . ARG 155 155 ? A 28.856 60.886 5.295 1.000 1 A 47.380 1 ATOM 1206 C CZ . ARG 155 155 ? A 29.837 60.551 6.128 1.000 1 A 47.380 1 ATOM 1207 N NH1 . ARG 155 155 ? A 30.440 59.372 6.027 1.000 1 A 47.380 1 ATOM 1208 N NH2 . ARG 155 155 ? A 30.219 61.401 7.070 1.000 1 A 47.380 1 ATOM 1209 N N . SER 156 156 ? A 27.326 60.928 -1.562 1.000 1 A 48.760 1 ATOM 1210 C CA . SER 156 156 ? A 28.399 61.258 -2.495 1.000 1 A 48.760 1 ATOM 1211 C C . SER 156 156 ? A 27.867 61.416 -3.915 1.000 1 A 48.760 1 ATOM 1212 O O . SER 156 156 ? A 27.188 60.527 -4.432 1.000 1 A 48.760 1 ATOM 1213 C CB . SER 156 156 ? A 29.485 60.181 -2.465 1.000 1 A 48.760 1 ATOM 1214 O OG . SER 156 156 ? A 29.896 59.918 -1.135 1.000 1 A 48.760 1 ATOM 1215 N N . PRO 157 157 ? A 28.366 62.568 -4.493 1.000 1 A 54.010 1 ATOM 1216 C CA . PRO 157 157 ? A 27.935 63.644 -5.389 1.000 1 A 54.010 1 ATOM 1217 C C . PRO 157 157 ? A 28.223 63.339 -6.857 1.000 1 A 54.010 1 ATOM 1218 O O . PRO 157 157 ? A 29.121 62.551 -7.164 1.000 1 A 54.010 1 ATOM 1219 C CB . PRO 157 157 ? A 28.750 64.849 -4.912 1.000 1 A 54.010 1 ATOM 1220 C CG . PRO 157 157 ? A 30.041 64.270 -4.430 1.000 1 A 54.010 1 ATOM 1221 C CD . PRO 157 157 ? A 29.938 62.773 -4.473 1.000 1 A 54.010 1 ATOM 1222 N N . PRO 158 158 ? A 27.528 64.032 -7.785 1.000 1 A 43.950 1 ATOM 1223 C CA . PRO 158 158 ? A 26.857 64.054 -9.087 1.000 1 A 43.950 1 ATOM 1224 C C . PRO 158 158 ? A 27.760 64.566 -10.207 1.000 1 A 43.950 1 ATOM 1225 O O . PRO 158 158 ? A 28.639 65.397 -9.964 1.000 1 A 43.950 1 ATOM 1226 C CB . PRO 158 158 ? A 25.677 65.002 -8.860 1.000 1 A 43.950 1 ATOM 1227 C CG . PRO 158 158 ? A 26.186 66.020 -7.890 1.000 1 A 43.950 1 ATOM 1228 C CD . PRO 158 158 ? A 27.547 65.593 -7.421 1.000 1 A 43.950 1 ATOM 1229 N N . ARG 159 159 ? A 27.956 63.770 -11.270 1.000 1 A 50.070 1 ATOM 1230 C CA . ARG 159 159 ? A 28.389 63.969 -12.649 1.000 1 A 50.070 1 ATOM 1231 C C . ARG 159 159 ? A 27.356 64.765 -13.439 1.000 1 A 50.070 1 ATOM 1232 O O . ARG 159 159 ? A 26.196 64.359 -13.540 1.000 1 A 50.070 1 ATOM 1233 C CB . ARG 159 159 ? A 28.647 62.623 -13.331 1.000 1 A 50.070 1 ATOM 1234 C CG . ARG 159 159 ? A 30.048 62.077 -13.108 1.000 1 A 50.070 1 ATOM 1235 C CD . ARG 159 159 ? A 30.324 60.859 -13.978 1.000 1 A 50.070 1 ATOM 1236 N NE . ARG 159 159 ? A 31.754 60.677 -14.211 1.000 1 A 50.070 1 ATOM 1237 C CZ . ARG 159 159 ? A 32.308 59.568 -14.694 1.000 1 A 50.070 1 ATOM 1238 N NH1 . ARG 159 159 ? A 31.559 58.516 -15.007 1.000 1 A 50.070 1 ATOM 1239 N NH2 . ARG 159 159 ? A 33.620 59.509 -14.867 1.000 1 A 50.070 1 ATOM 1240 N N . ILE 160 160 ? A 27.370 66.156 -13.355 1.000 1 A 53.470 1 ATOM 1241 C CA . ILE 160 160 ? A 26.875 67.174 -14.275 1.000 1 A 53.470 1 ATOM 1242 C C . ILE 160 160 ? A 27.925 67.456 -15.347 1.000 1 A 53.470 1 ATOM 1243 O O . ILE 160 160 ? A 29.106 67.634 -15.037 1.000 1 A 53.470 1 ATOM 1244 C CB . ILE 160 160 ? A 26.505 68.477 -13.531 1.000 1 A 53.470 1 ATOM 1245 C CG1 . ILE 160 160 ? A 25.390 68.212 -12.513 1.000 1 A 53.470 1 ATOM 1246 C CG2 . ILE 160 160 ? A 26.093 69.567 -14.524 1.000 1 A 53.470 1 ATOM 1247 C CD1 . ILE 160 160 ? A 25.151 69.362 -11.544 1.000 1 A 53.470 1 ATOM 1248 N N . LYS 161 161 ? A 27.670 67.260 -16.656 1.000 1 A 46.350 1 ATOM 1249 C CA . LYS 161 161 ? A 27.351 67.959 -17.897 1.000 1 A 46.350 1 ATOM 1250 C C . LYS 161 161 ? A 28.602 68.173 -18.744 1.000 1 A 46.350 1 ATOM 1251 O O . LYS 161 161 ? A 29.607 68.695 -18.257 1.000 1 A 46.350 1 ATOM 1252 C CB . LYS 161 161 ? A 26.684 69.303 -17.600 1.000 1 A 46.350 1 ATOM 1253 C CG . LYS 161 161 ? A 25.257 69.184 -17.083 1.000 1 A 46.350 1 ATOM 1254 C CD . LYS 161 161 ? A 24.582 70.546 -16.987 1.000 1 A 46.350 1 ATOM 1255 C CE . LYS 161 161 ? A 23.187 70.438 -16.388 1.000 1 A 46.350 1 ATOM 1256 N NZ . LYS 161 161 ? A 22.528 71.774 -16.275 1.000 1 A 46.350 1 ATOM 1257 N N . ARG 162 162 ? A 28.701 67.510 -19.821 1.000 1 A 39.790 1 ATOM 1258 C CA . ARG 162 162 ? A 28.996 67.552 -21.249 1.000 1 A 39.790 1 ATOM 1259 C C . ARG 162 162 ? A 28.580 68.887 -21.855 1.000 1 A 39.790 1 ATOM 1260 O O . ARG 162 162 ? A 27.428 69.306 -21.717 1.000 1 A 39.790 1 ATOM 1261 C CB . ARG 162 162 ? A 28.293 66.404 -21.978 1.000 1 A 39.790 1 ATOM 1262 C CG . ARG 162 162 ? A 29.139 65.147 -22.108 1.000 1 A 39.790 1 ATOM 1263 C CD . ARG 162 162 ? A 28.477 64.113 -23.008 1.000 1 A 39.790 1 ATOM 1264 N NE . ARG 162 162 ? A 29.338 62.952 -23.218 1.000 1 A 39.790 1 ATOM 1265 C CZ . ARG 162 162 ? A 29.084 61.965 -24.073 1.000 1 A 39.790 1 ATOM 1266 N NH1 . ARG 162 162 ? A 27.984 61.980 -24.818 1.000 1 A 39.790 1 ATOM 1267 N NH2 . ARG 162 162 ? A 29.935 60.957 -24.186 1.000 1 A 39.790 1 ATOM 1268 N N . ARG 163 163 ? A 29.554 69.824 -21.980 1.000 1 A 54.170 1 ATOM 1269 C CA . ARG 163 163 ? A 29.712 70.913 -22.938 1.000 1 A 54.170 1 ATOM 1270 C C . ARG 163 163 ? A 31.155 71.407 -22.971 1.000 1 A 54.170 1 ATOM 1271 O O . ARG 163 163 ? A 31.743 71.694 -21.926 1.000 1 A 54.170 1 ATOM 1272 C CB . ARG 163 163 ? A 28.770 72.070 -22.597 1.000 1 A 54.170 1 ATOM 1273 C CG . ARG 163 163 ? A 28.345 72.893 -23.803 1.000 1 A 54.170 1 ATOM 1274 C CD . ARG 163 163 ? A 27.350 73.980 -23.421 1.000 1 A 54.170 1 ATOM 1275 N NE . ARG 163 163 ? A 26.330 74.163 -24.450 1.000 1 A 54.170 1 ATOM 1276 C CZ . ARG 163 163 ? A 26.164 75.274 -25.163 1.000 1 A 54.170 1 ATOM 1277 N NH1 . ARG 163 163 ? A 26.951 76.327 -24.971 1.000 1 A 54.170 1 ATOM 1278 N NH2 . ARG 163 163 ? A 25.204 75.332 -26.075 1.000 1 A 54.170 1 ATOM 1279 N N . GLY 164 164 ? A 31.971 71.128 -24.077 1.000 1 A 42.230 1 ATOM 1280 C CA . GLY 164 164 ? A 32.718 71.930 -25.033 1.000 1 A 42.230 1 ATOM 1281 C C . GLY 164 164 ? A 33.767 72.812 -24.380 1.000 1 A 42.230 1 ATOM 1282 O O . GLY 164 164 ? A 33.514 73.418 -23.337 1.000 1 A 42.230 1 ATOM 1283 N N . SER 165 165 ? A 35.093 72.540 -24.587 1.000 1 A 48.670 1 ATOM 1284 C CA . SER 165 165 ? A 35.946 73.672 -24.933 1.000 1 A 48.670 1 ATOM 1285 C C . SER 165 165 ? A 37.419 73.341 -24.719 1.000 1 A 48.670 1 ATOM 1286 O O . SER 165 165 ? A 37.805 72.872 -23.646 1.000 1 A 48.670 1 ATOM 1287 C CB . SER 165 165 ? A 35.566 74.902 -24.108 1.000 1 A 48.670 1 ATOM 1288 O OG . SER 165 165 ? A 36.251 76.052 -24.575 1.000 1 A 48.670 1 ATOM 1289 N N . GLN 166 166 ? A 38.296 73.034 -25.733 1.000 1 A 47.360 1 ATOM 1290 C CA . GLN 166 166 ? A 39.443 73.683 -26.359 1.000 1 A 47.360 1 ATOM 1291 C C . GLN 166 166 ? A 40.151 74.614 -25.380 1.000 1 A 47.360 1 ATOM 1292 O O . GLN 166 166 ? A 39.505 75.406 -24.690 1.000 1 A 47.360 1 ATOM 1293 C CB . GLN 166 166 ? A 39.007 74.461 -27.602 1.000 1 A 47.360 1 ATOM 1294 C CG . GLN 166 166 ? A 38.582 73.575 -28.765 1.000 1 A 47.360 1 ATOM 1295 C CD . GLN 166 166 ? A 38.344 74.358 -30.042 1.000 1 A 47.360 1 ATOM 1296 O OE1 . GLN 166 166 ? A 38.417 75.591 -30.054 1.000 1 A 47.360 1 ATOM 1297 N NE2 . GLN 166 166 ? A 38.055 73.648 -31.128 1.000 1 A 47.360 1 ATOM 1298 N N . ASP 167 167 ? A 41.473 74.311 -25.054 1.000 1 A 46.030 1 ATOM 1299 C CA . ASP 167 167 ? A 42.782 74.935 -25.220 1.000 1 A 46.030 1 ATOM 1300 C C . ASP 167 167 ? A 43.232 75.618 -23.930 1.000 1 A 46.030 1 ATOM 1301 O O . ASP 167 167 ? A 42.484 76.404 -23.344 1.000 1 A 46.030 1 ATOM 1302 C CB . ASP 167 167 ? A 42.753 75.946 -26.368 1.000 1 A 46.030 1 ATOM 1303 C CG . ASP 167 167 ? A 42.818 75.292 -27.736 1.000 1 A 46.030 1 ATOM 1304 O OD1 . ASP 167 167 ? A 43.493 74.250 -27.883 1.000 1 A 46.030 1 ATOM 1305 O OD2 . ASP 167 167 ? A 42.190 75.824 -28.677 1.000 1 A 46.030 1 ATOM 1306 N N . ILE 168 168 ? A 44.334 75.120 -23.311 1.000 1 A 48.420 1 ATOM 1307 C CA . ILE 168 168 ? A 45.620 75.765 -23.067 1.000 1 A 48.420 1 ATOM 1308 C C . ILE 168 168 ? A 46.123 75.401 -21.672 1.000 1 A 48.420 1 ATOM 1309 O O . ILE 168 168 ? A 45.410 75.580 -20.682 1.000 1 A 48.420 1 ATOM 1310 C CB . ILE 168 168 ? A 45.520 77.299 -23.217 1.000 1 A 48.420 1 ATOM 1311 C CG1 . ILE 168 168 ? A 45.000 77.666 -24.612 1.000 1 A 48.420 1 ATOM 1312 C CG2 . ILE 168 168 ? A 46.876 77.957 -22.947 1.000 1 A 48.420 1 ATOM 1313 C CD1 . ILE 168 168 ? A 44.817 79.162 -24.830 1.000 1 A 48.420 1 ATOM 1314 N N . LYS 169 169 ? A 47.253 74.636 -21.526 1.000 1 A 46.240 1 ATOM 1315 C CA . LYS 169 169 ? A 48.647 74.913 -21.190 1.000 1 A 46.240 1 ATOM 1316 C C . LYS 169 169 ? A 48.844 74.984 -19.679 1.000 1 A 46.240 1 ATOM 1317 O O . LYS 169 169 ? A 48.188 75.776 -18.999 1.000 1 A 46.240 1 ATOM 1318 C CB . LYS 169 169 ? A 49.107 76.218 -21.841 1.000 1 A 46.240 1 ATOM 1319 C CG . LYS 169 169 ? A 50.175 76.034 -22.909 1.000 1 A 46.240 1 ATOM 1320 C CD . LYS 169 169 ? A 50.489 77.346 -23.618 1.000 1 A 46.240 1 ATOM 1321 C CE . LYS 169 169 ? A 51.544 77.159 -24.699 1.000 1 A 46.240 1 ATOM 1322 N NZ . LYS 169 169 ? A 52.074 78.468 -25.188 1.000 1 A 46.240 1 ATOM 1323 N N . GLY 170 170 ? A 49.594 73.999 -19.181 1.000 1 A 41.480 1 ATOM 1324 C CA . GLY 170 170 ? A 50.899 74.055 -18.542 1.000 1 A 41.480 1 ATOM 1325 C C . GLY 170 170 ? A 50.831 73.921 -17.033 1.000 1 A 41.480 1 ATOM 1326 O O . GLY 170 170 ? A 50.026 74.588 -16.380 1.000 1 A 41.480 1 ATOM 1327 N N . SER 171 171 ? A 51.483 72.848 -16.571 1.000 1 A 46.980 1 ATOM 1328 C CA . SER 171 171 ? A 52.735 72.392 -15.977 1.000 1 A 46.980 1 ATOM 1329 C C . SER 171 171 ? A 52.759 72.645 -14.473 1.000 1 A 46.980 1 ATOM 1330 O O . SER 171 171 ? A 52.381 73.725 -14.014 1.000 1 A 46.980 1 ATOM 1331 C CB . SER 171 171 ? A 53.927 73.086 -16.637 1.000 1 A 46.980 1 ATOM 1332 O OG . SER 171 171 ? A 53.666 74.467 -16.821 1.000 1 A 46.980 1 ATOM 1333 N N . ASP 172 172 ? A 53.025 71.549 -13.729 1.000 1 A 47.150 1 ATOM 1334 C CA . ASP 172 172 ? A 54.280 71.155 -13.097 1.000 1 A 47.150 1 ATOM 1335 C C . ASP 172 172 ? A 54.071 70.818 -11.623 1.000 1 A 47.150 1 ATOM 1336 O O . ASP 172 172 ? A 53.443 71.584 -10.889 1.000 1 A 47.150 1 ATOM 1337 C CB . ASP 172 172 ? A 55.325 72.264 -13.240 1.000 1 A 47.150 1 ATOM 1338 C CG . ASP 172 172 ? A 56.095 72.188 -14.546 1.000 1 A 47.150 1 ATOM 1339 O OD1 . ASP 172 172 ? A 56.040 71.141 -15.227 1.000 1 A 47.150 1 ATOM 1340 O OD2 . ASP 172 172 ? A 56.766 73.183 -14.897 1.000 1 A 47.150 1 ATOM 1341 N N . SER 173 173 ? A 54.444 69.534 -11.250 1.000 1 A 51.580 1 ATOM 1342 C CA . SER 173 173 ? A 55.656 69.149 -10.534 1.000 1 A 51.580 1 ATOM 1343 C C . SER 173 173 ? A 55.369 68.056 -9.510 1.000 1 A 51.580 1 ATOM 1344 O O . SER 173 173 ? A 54.431 68.171 -8.719 1.000 1 A 51.580 1 ATOM 1345 C CB . SER 173 173 ? A 56.275 70.362 -9.838 1.000 1 A 51.580 1 ATOM 1346 O OG . SER 173 173 ? A 56.718 71.315 -10.789 1.000 1 A 51.580 1 ATOM 1347 N N . PHE 174 174 ? A 56.064 66.814 -9.633 1.000 1 A 49.510 1 ATOM 1348 C CA . PHE 174 174 ? A 57.370 66.448 -9.097 1.000 1 A 49.510 1 ATOM 1349 C C . PHE 174 174 ? A 57.300 65.114 -8.364 1.000 1 A 49.510 1 ATOM 1350 O O . PHE 174 174 ? A 56.448 64.921 -7.494 1.000 1 A 49.510 1 ATOM 1351 C CB . PHE 174 174 ? A 57.889 67.538 -8.154 1.000 1 A 49.510 1 ATOM 1352 C CG . PHE 174 174 ? A 58.962 68.404 -8.759 1.000 1 A 49.510 1 ATOM 1353 C CD1 . PHE 174 174 ? A 60.301 68.049 -8.656 1.000 1 A 49.510 1 ATOM 1354 C CD2 . PHE 174 174 ? A 58.630 69.572 -9.432 1.000 1 A 49.510 1 ATOM 1355 C CE1 . PHE 174 174 ? A 61.296 68.848 -9.215 1.000 1 A 49.510 1 ATOM 1356 C CE2 . PHE 174 174 ? A 59.618 70.376 -9.994 1.000 1 A 49.510 1 ATOM 1357 C CZ . PHE 174 174 ? A 60.951 70.012 -9.883 1.000 1 A 49.510 1 ATOM 1358 N N . HIS 175 175 ? A 58.121 64.023 -8.916 1.000 1 A 52.610 1 ATOM 1359 C CA . HIS 175 175 ? A 59.449 63.503 -8.609 1.000 1 A 52.610 1 ATOM 1360 C C . HIS 175 175 ? A 59.752 62.251 -9.424 1.000 1 A 52.610 1 ATOM 1361 O O . HIS 175 175 ? A 58.999 61.275 -9.375 1.000 1 A 52.610 1 ATOM 1362 C CB . HIS 175 175 ? A 59.574 63.200 -7.115 1.000 1 A 52.610 1 ATOM 1363 C CG . HIS 175 175 ? A 59.601 64.424 -6.255 1.000 1 A 52.610 1 ATOM 1364 N ND1 . HIS 175 175 ? A 60.421 65.500 -6.518 1.000 1 A 52.610 1 ATOM 1365 C CD2 . HIS 175 175 ? A 58.906 64.740 -5.137 1.000 1 A 52.610 1 ATOM 1366 C CE1 . HIS 175 175 ? A 60.228 66.428 -5.596 1.000 1 A 52.610 1 ATOM 1367 N NE2 . HIS 175 175 ? A 59.314 65.992 -4.746 1.000 1 A 52.610 1 ATOM 1368 N N . GLY 176 176 ? A 60.771 62.360 -10.379 1.000 1 A 51.220 1 ATOM 1369 C CA . GLY 176 176 ? A 62.191 62.048 -10.348 1.000 1 A 51.220 1 ATOM 1370 C C . GLY 176 176 ? A 62.557 60.845 -11.196 1.000 1 A 51.220 1 ATOM 1371 O O . GLY 176 176 ? A 61.966 59.773 -11.050 1.000 1 A 51.220 1 ATOM 1372 N N . ARG 177 177 ? A 63.185 61.055 -12.411 1.000 1 A 50.760 1 ATOM 1373 C CA . ARG 177 177 ? A 64.573 61.033 -12.862 1.000 1 A 50.760 1 ATOM 1374 C C . ARG 177 177 ? A 64.858 59.789 -13.697 1.000 1 A 50.760 1 ATOM 1375 O O . ARG 177 177 ? A 64.627 58.665 -13.244 1.000 1 A 50.760 1 ATOM 1376 C CB . ARG 177 177 ? A 65.528 61.094 -11.669 1.000 1 A 50.760 1 ATOM 1377 C CG . ARG 177 177 ? A 66.146 62.464 -11.443 1.000 1 A 50.760 1 ATOM 1378 C CD . ARG 177 177 ? A 67.457 62.373 -10.676 1.000 1 A 50.760 1 ATOM 1379 N NE . ARG 177 177 ? A 67.719 63.587 -9.909 1.000 1 A 50.760 1 ATOM 1380 C CZ . ARG 177 177 ? A 68.788 64.364 -10.062 1.000 1 A 50.760 1 ATOM 1381 N NH1 . ARG 177 177 ? A 69.719 64.068 -10.961 1.000 1 A 50.760 1 ATOM 1382 N NH2 . ARG 177 177 ? A 68.927 65.447 -9.310 1.000 1 A 50.760 1 ATOM 1383 N N . GLN 178 178 ? A 65.026 59.957 -15.071 1.000 1 A 52.120 1 ATOM 1384 C CA . GLN 178 178 ? A 66.177 60.030 -15.965 1.000 1 A 52.120 1 ATOM 1385 C C . GLN 178 178 ? A 65.885 59.342 -17.295 1.000 1 A 52.120 1 ATOM 1386 O O . GLN 178 178 ? A 65.567 58.152 -17.327 1.000 1 A 52.120 1 ATOM 1387 C CB . GLN 178 178 ? A 67.408 59.403 -15.308 1.000 1 A 52.120 1 ATOM 1388 C CG . GLN 178 178 ? A 68.263 60.394 -14.530 1.000 1 A 52.120 1 ATOM 1389 C CD . GLN 178 178 ? A 69.449 59.738 -13.849 1.000 1 A 52.120 1 ATOM 1390 O OE1 . GLN 178 178 ? A 69.845 58.622 -14.200 1.000 1 A 52.120 1 ATOM 1391 N NE2 . GLN 178 178 ? A 70.025 60.426 -12.869 1.000 1 A 52.120 1 ATOM 1392 N N . ASP 179 179 ? A 65.547 59.991 -18.463 1.000 1 A 45.860 1 ATOM 1393 C CA . ASP 179 179 ? A 65.703 60.336 -19.873 1.000 1 A 45.860 1 ATOM 1394 C C . ASP 179 179 ? A 66.480 59.254 -20.620 1.000 1 A 45.860 1 ATOM 1395 O O . ASP 179 179 ? A 67.437 58.690 -20.086 1.000 1 A 45.860 1 ATOM 1396 C CB . ASP 179 179 ? A 66.407 61.686 -20.021 1.000 1 A 45.860 1 ATOM 1397 C CG . ASP 179 179 ? A 65.442 62.859 -20.039 1.000 1 A 45.860 1 ATOM 1398 O OD1 . ASP 179 179 ? A 64.254 62.667 -20.379 1.000 1 A 45.860 1 ATOM 1399 O OD2 . ASP 179 179 ? A 65.874 63.986 -19.714 1.000 1 A 45.860 1 ATOM 1400 N N . PRO 180 180 ? A 66.493 59.265 -22.100 1.000 1 A 49.900 1 ATOM 1401 C CA . PRO 180 180 ? A 65.612 59.684 -23.192 1.000 1 A 49.900 1 ATOM 1402 C C . PRO 180 180 ? A 65.879 58.924 -24.490 1.000 1 A 49.900 1 ATOM 1403 O O . PRO 180 180 ? A 66.863 58.186 -24.586 1.000 1 A 49.900 1 ATOM 1404 C CB . PRO 180 180 ? A 65.936 61.172 -23.355 1.000 1 A 49.900 1 ATOM 1405 C CG . PRO 180 180 ? A 67.398 61.279 -23.060 1.000 1 A 49.900 1 ATOM 1406 C CD . PRO 180 180 ? A 67.888 59.941 -22.588 1.000 1 A 49.900 1 ATOM 1407 N N . ALA 181 181 ? A 64.809 58.428 -25.220 1.000 1 A 36.950 1 ATOM 1408 C CA . ALA 181 181 ? A 64.485 58.735 -26.611 1.000 1 A 36.950 1 ATOM 1409 C C . ALA 181 181 ? A 65.047 57.674 -27.552 1.000 1 A 36.950 1 ATOM 1410 O O . ALA 181 181 ? A 66.258 57.443 -27.585 1.000 1 A 36.950 1 ATOM 1411 C CB . ALA 181 181 ? A 65.018 60.114 -26.990 1.000 1 A 36.950 1 ATOM 1412 N N . TRP 182 182 ? A 64.312 56.627 -27.980 1.000 1 A 42.070 1 ATOM 1413 C CA . TRP 182 182 ? A 64.003 56.033 -29.276 1.000 1 A 42.070 1 ATOM 1414 C C . TRP 182 182 ? A 63.026 54.872 -29.124 1.000 1 A 42.070 1 ATOM 1415 O O . TRP 182 182 ? A 63.207 54.009 -28.262 1.000 1 A 42.070 1 ATOM 1416 C CB . TRP 182 182 ? A 65.282 55.552 -29.967 1.000 1 A 42.070 1 ATOM 1417 C CG . TRP 182 182 ? A 66.149 56.661 -30.484 1.000 1 A 42.070 1 ATOM 1418 C CD1 . TRP 182 182 ? A 67.258 57.188 -29.883 1.000 1 A 42.070 1 ATOM 1419 C CD2 . TRP 182 182 ? A 65.973 57.383 -31.706 1.000 1 A 42.070 1 ATOM 1420 N NE1 . TRP 182 182 ? A 67.784 58.195 -30.660 1.000 1 A 42.070 1 ATOM 1421 C CE2 . TRP 182 182 ? A 67.015 58.334 -31.784 1.000 1 A 42.070 1 ATOM 1422 C CE3 . TRP 182 182 ? A 65.036 57.317 -32.746 1.000 1 A 42.070 1 ATOM 1423 C CZ2 . TRP 182 182 ? A 67.145 59.214 -32.861 1.000 1 A 42.070 1 ATOM 1424 C CZ3 . TRP 182 182 ? A 65.167 58.193 -33.817 1.000 1 A 42.070 1 ATOM 1425 C CH2 . TRP 182 182 ? A 66.214 59.128 -33.865 1.000 1 A 42.070 1 ATOM 1426 N N . GLY 183 183 ? A 61.792 55.100 -29.312 1.000 1 A 42.900 1 ATOM 1427 C CA . GLY 183 183 ? A 61.030 54.306 -30.263 1.000 1 A 42.900 1 ATOM 1428 C C . GLY 183 183 ? A 59.770 53.707 -29.667 1.000 1 A 42.900 1 ATOM 1429 O O . GLY 183 183 ? A 59.818 53.073 -28.611 1.000 1 A 42.900 1 ATOM 1430 N N . ARG 184 184 ? A 58.619 54.379 -29.795 1.000 1 A 43.350 1 ATOM 1431 C CA . ARG 184 184 ? A 57.278 54.249 -30.356 1.000 1 A 43.350 1 ATOM 1432 C C . ARG 184 184 ? A 56.995 52.809 -30.771 1.000 1 A 43.350 1 ATOM 1433 O O . ARG 184 184 ? A 57.669 52.268 -31.650 1.000 1 A 43.350 1 ATOM 1434 C CB . ARG 184 184 ? A 57.104 55.184 -31.554 1.000 1 A 43.350 1 ATOM 1435 C CG . ARG 184 184 ? A 55.760 55.893 -31.592 1.000 1 A 43.350 1 ATOM 1436 C CD . ARG 184 184 ? A 55.586 56.705 -32.868 1.000 1 A 43.350 1 ATOM 1437 N NE . ARG 184 184 ? A 54.979 58.005 -32.602 1.000 1 A 43.350 1 ATOM 1438 C CZ . ARG 184 184 ? A 53.751 58.359 -32.971 1.000 1 A 43.350 1 ATOM 1439 N NH1 . ARG 184 184 ? A 52.972 57.512 -33.634 1.000 1 A 43.350 1 ATOM 1440 N NH2 . ARG 184 184 ? A 53.298 59.569 -32.677 1.000 1 A 43.350 1 ATOM 1441 N N . GLY 185 185 ? A 56.481 51.866 -29.951 1.000 1 A 39.980 1 ATOM 1442 C CA . GLY 185 185 ? A 55.639 50.713 -30.230 1.000 1 A 39.980 1 ATOM 1443 C C . GLY 185 185 ? A 54.351 50.707 -29.428 1.000 1 A 39.980 1 ATOM 1444 O O . GLY 185 185 ? A 54.379 50.797 -28.199 1.000 1 A 39.980 1 ATOM 1445 N N . GLY 186 186 ? A 53.249 51.232 -29.974 1.000 1 A 47.880 1 ATOM 1446 C CA . GLY 186 186 ? A 51.841 50.903 -29.816 1.000 1 A 47.880 1 ATOM 1447 C C . GLY 186 186 ? A 51.237 50.257 -31.049 1.000 1 A 47.880 1 ATOM 1448 O O . GLY 186 186 ? A 51.605 50.595 -32.176 1.000 1 A 47.880 1 ATOM 1449 N N . GLN 187 187 ? A 50.762 49.000 -30.954 1.000 1 A 49.530 1 ATOM 1450 C CA . GLN 187 187 ? A 49.432 48.411 -31.073 1.000 1 A 49.530 1 ATOM 1451 C C . GLN 187 187 ? A 49.130 48.020 -32.517 1.000 1 A 49.530 1 ATOM 1452 O O . GLN 187 187 ? A 49.233 48.849 -33.424 1.000 1 A 49.530 1 ATOM 1453 C CB . GLN 187 187 ? A 48.367 49.381 -30.558 1.000 1 A 49.530 1 ATOM 1454 C CG . GLN 187 187 ? A 48.406 49.592 -29.050 1.000 1 A 49.530 1 ATOM 1455 C CD . GLN 187 187 ? A 47.103 50.142 -28.501 1.000 1 A 49.530 1 ATOM 1456 O OE1 . GLN 187 187 ? A 46.128 50.319 -29.239 1.000 1 A 49.530 1 ATOM 1457 N NE2 . GLN 187 187 ? A 47.076 50.417 -27.202 1.000 1 A 49.530 1 ATOM 1458 N N . GLN 188 188 ? A 49.048 46.727 -32.822 1.000 1 A 42.510 1 ATOM 1459 C CA . GLN 188 188 ? A 48.166 45.718 -33.401 1.000 1 A 42.510 1 ATOM 1460 C C . GLN 188 188 ? A 47.273 46.323 -34.480 1.000 1 A 42.510 1 ATOM 1461 O O . GLN 188 188 ? A 46.821 47.463 -34.352 1.000 1 A 42.510 1 ATOM 1462 C CB . GLN 188 188 ? A 47.309 45.066 -32.315 1.000 1 A 42.510 1 ATOM 1463 C CG . GLN 188 188 ? A 48.056 44.036 -31.478 1.000 1 A 42.510 1 ATOM 1464 C CD . GLN 188 188 ? A 47.128 43.044 -30.802 1.000 1 A 42.510 1 ATOM 1465 O OE1 . GLN 188 188 ? A 45.908 43.232 -30.779 1.000 1 A 42.510 1 ATOM 1466 N NE2 . GLN 188 188 ? A 47.700 41.981 -30.247 1.000 1 A 42.510 1 ATOM 1467 N N . PRO 189 189 ? A 46.514 45.425 -35.390 1.000 1 A 47.770 1 ATOM 1468 C CA . PRO 189 189 ? A 46.176 44.214 -36.141 1.000 1 A 47.770 1 ATOM 1469 C C . PRO 189 189 ? A 45.343 44.506 -37.387 1.000 1 A 47.770 1 ATOM 1470 O O . PRO 189 189 ? A 44.920 45.645 -37.599 1.000 1 A 47.770 1 ATOM 1471 C CB . PRO 189 189 ? A 45.379 43.384 -35.133 1.000 1 A 47.770 1 ATOM 1472 C CG . PRO 189 189 ? A 44.607 44.387 -34.338 1.000 1 A 47.770 1 ATOM 1473 C CD . PRO 189 189 ? A 45.050 45.762 -34.746 1.000 1 A 47.770 1 ATOM 1474 N N . GLN 190 190 ? A 45.395 43.650 -38.463 1.000 1 A 44.400 1 ATOM 1475 C CA . GLN 190 190 ? A 44.325 43.066 -39.266 1.000 1 A 44.400 1 ATOM 1476 C C . GLN 190 190 ? A 44.593 43.251 -40.757 1.000 1 A 44.400 1 ATOM 1477 O O . GLN 190 190 ? A 44.840 44.368 -41.215 1.000 1 A 44.400 1 ATOM 1478 C CB . GLN 190 190 ? A 42.976 43.685 -38.895 1.000 1 A 44.400 1 ATOM 1479 C CG . GLN 190 190 ? A 41.942 42.669 -38.428 1.000 1 A 44.400 1 ATOM 1480 C CD . GLN 190 190 ? A 40.575 43.286 -38.201 1.000 1 A 44.400 1 ATOM 1481 O OE1 . GLN 190 190 ? A 40.269 44.361 -38.727 1.000 1 A 44.400 1 ATOM 1482 N NE2 . GLN 190 190 ? A 39.742 42.610 -37.416 1.000 1 A 44.400 1 ATOM 1483 N N . GLN 191 191 ? A 44.769 42.136 -41.475 1.000 1 A 45.810 1 ATOM 1484 C CA . GLN 191 191 ? A 44.014 41.526 -42.565 1.000 1 A 45.810 1 ATOM 1485 C C . GLN 191 191 ? A 44.823 41.519 -43.859 1.000 1 A 45.810 1 ATOM 1486 O O . GLN 191 191 ? A 45.302 42.564 -44.303 1.000 1 A 45.810 1 ATOM 1487 C CB . GLN 191 191 ? A 42.689 42.261 -42.778 1.000 1 A 45.810 1 ATOM 1488 C CG . GLN 191 191 ? A 41.701 42.092 -41.631 1.000 1 A 45.810 1 ATOM 1489 C CD . GLN 191 191 ? A 40.281 42.455 -42.022 1.000 1 A 45.810 1 ATOM 1490 O OE1 . GLN 191 191 ? A 39.848 42.196 -43.150 1.000 1 A 45.810 1 ATOM 1491 N NE2 . GLN 191 191 ? A 39.546 43.058 -41.094 1.000 1 A 45.810 1 ATOM 1492 N N . GLN 192 192 ? A 45.214 40.428 -44.361 1.000 1 A 43.110 1 ATOM 1493 C CA . GLN 192 192 ? A 45.447 39.657 -45.577 1.000 1 A 43.110 1 ATOM 1494 C C . GLN 192 192 ? A 44.947 40.407 -46.809 1.000 1 A 43.110 1 ATOM 1495 O O . GLN 192 192 ? A 43.907 41.068 -46.760 1.000 1 A 43.110 1 ATOM 1496 C CB . GLN 192 192 ? A 44.768 38.289 -45.485 1.000 1 A 43.110 1 ATOM 1497 C CG . GLN 192 192 ? A 45.604 37.234 -44.774 1.000 1 A 43.110 1 ATOM 1498 C CD . GLN 192 192 ? A 44.983 35.852 -44.837 1.000 1 A 43.110 1 ATOM 1499 O OE1 . GLN 192 192 ? A 44.090 35.595 -45.650 1.000 1 A 43.110 1 ATOM 1500 N NE2 . GLN 192 192 ? A 45.450 34.952 -43.979 1.000 1 A 43.110 1 ATOM 1501 N N . PRO 193 193 ? A 45.304 39.855 -48.163 1.000 1 A 48.210 1 ATOM 1502 C CA . PRO 193 193 ? A 46.275 39.534 -49.211 1.000 1 A 48.210 1 ATOM 1503 C C . PRO 193 193 ? A 45.856 40.058 -50.583 1.000 1 A 48.210 1 ATOM 1504 O O . PRO 193 193 ? A 44.736 40.549 -50.745 1.000 1 A 48.210 1 ATOM 1505 C CB . PRO 193 193 ? A 46.313 38.004 -49.200 1.000 1 A 48.210 1 ATOM 1506 C CG . PRO 193 193 ? A 44.912 37.589 -48.887 1.000 1 A 48.210 1 ATOM 1507 C CD . PRO 193 193 ? A 44.110 38.818 -48.568 1.000 1 A 48.210 1 ATOM 1508 N N . GLN 194 194 ? A 46.898 40.479 -51.529 1.000 1 A 42.970 1 ATOM 1509 C CA . GLN 194 194 ? A 46.943 40.495 -52.987 1.000 1 A 42.970 1 ATOM 1510 C C . GLN 194 194 ? A 48.236 41.129 -53.491 1.000 1 A 42.970 1 ATOM 1511 O O . GLN 194 194 ? A 48.600 42.229 -53.070 1.000 1 A 42.970 1 ATOM 1512 C CB . GLN 194 194 ? A 45.736 41.245 -53.554 1.000 1 A 42.970 1 ATOM 1513 C CG . GLN 194 194 ? A 44.495 40.378 -53.718 1.000 1 A 42.970 1 ATOM 1514 C CD . GLN 194 194 ? A 43.323 41.136 -54.313 1.000 1 A 42.970 1 ATOM 1515 O OE1 . GLN 194 194 ? A 43.507 42.076 -55.093 1.000 1 A 42.970 1 ATOM 1516 N NE2 . GLN 194 194 ? A 42.110 40.734 -53.949 1.000 1 A 42.970 1 ATOM 1517 N N . GLY 195 195 ? A 49.119 40.425 -54.108 1.000 1 A 40.440 1 ATOM 1518 C CA . GLY 195 195 ? A 49.594 40.391 -55.482 1.000 1 A 40.440 1 ATOM 1519 C C . GLY 195 195 ? A 50.072 41.741 -55.982 1.000 1 A 40.440 1 ATOM 1520 O O . GLY 195 195 ? A 49.341 42.731 -55.906 1.000 1 A 40.440 1 ATOM 1521 N N . GLY 196 196 ? A 51.450 42.018 -56.055 1.000 1 A 45.800 1 ATOM 1522 C CA . GLY 196 196 ? A 52.100 42.789 -57.103 1.000 1 A 45.800 1 ATOM 1523 C C . GLY 196 196 ? A 53.605 42.880 -56.931 1.000 1 A 45.800 1 ATOM 1524 O O . GLY 196 196 ? A 54.095 43.112 -55.824 1.000 1 A 45.800 1 ATOM 1525 N N . VAL 197 197 ? A 54.395 42.099 -57.613 1.000 1 A 49.050 1 ATOM 1526 C CA . VAL 197 197 ? A 55.404 42.224 -58.660 1.000 1 A 49.050 1 ATOM 1527 C C . VAL 197 197 ? A 56.111 43.572 -58.538 1.000 1 A 49.050 1 ATOM 1528 O O . VAL 197 197 ? A 55.460 44.617 -58.461 1.000 1 A 49.050 1 ATOM 1529 C CB . VAL 197 197 ? A 54.783 42.072 -60.067 1.000 1 A 49.050 1 ATOM 1530 C CG1 . VAL 197 197 ? A 55.141 40.716 -60.671 1.000 1 A 49.050 1 ATOM 1531 C CG2 . VAL 197 197 ? A 53.267 42.249 -60.003 1.000 1 A 49.050 1 ATOM 1532 N N . ARG 198 198 ? A 57.413 43.547 -58.218 1.000 1 A 39.740 1 ATOM 1533 C CA . ARG 198 198 ? A 58.705 43.662 -58.887 1.000 1 A 39.740 1 ATOM 1534 C C . ARG 198 198 ? A 58.985 45.106 -59.291 1.000 1 A 39.740 1 ATOM 1535 O O . ARG 198 198 ? A 58.132 45.767 -59.887 1.000 1 A 39.740 1 ATOM 1536 C CB . ARG 198 198 ? A 58.756 42.754 -60.117 1.000 1 A 39.740 1 ATOM 1537 C CG . ARG 198 198 ? A 60.118 42.124 -60.361 1.000 1 A 39.740 1 ATOM 1538 C CD . ARG 198 198 ? A 60.095 41.173 -61.550 1.000 1 A 39.740 1 ATOM 1539 N NE . ARG 198 198 ? A 61.407 40.581 -61.792 1.000 1 A 39.740 1 ATOM 1540 C CZ . ARG 198 198 ? A 61.874 40.237 -62.989 1.000 1 A 39.740 1 ATOM 1541 N NH1 . ARG 198 198 ? A 61.141 40.420 -64.082 1.000 1 A 39.740 1 ATOM 1542 N NH2 . ARG 198 198 ? A 63.083 39.706 -63.096 1.000 1 A 39.740 1 ATOM 1543 N N . SER 199 199 ? A 60.187 45.671 -58.730 1.000 1 A 41.540 1 ATOM 1544 C CA . SER 199 199 ? A 61.401 46.084 -59.426 1.000 1 A 41.540 1 ATOM 1545 C C . SER 199 199 ? A 62.261 46.988 -58.549 1.000 1 A 41.540 1 ATOM 1546 O O . SER 199 199 ? A 61.760 47.945 -57.955 1.000 1 A 41.540 1 ATOM 1547 C CB . SER 199 199 ? A 61.053 46.806 -60.729 1.000 1 A 41.540 1 ATOM 1548 O OG . SER 199 199 ? A 60.976 45.889 -61.806 1.000 1 A 41.540 1 ATOM 1549 N N . GLU 200 200 ? A 63.494 46.517 -58.291 1.000 1 A 43.380 1 ATOM 1550 C CA . GLU 200 200 ? A 64.850 46.641 -58.817 1.000 1 A 43.380 1 ATOM 1551 C C . GLU 200 200 ? A 65.564 47.850 -58.220 1.000 1 A 43.380 1 ATOM 1552 O O . GLU 200 200 ? A 65.022 48.958 -58.214 1.000 1 A 43.380 1 ATOM 1553 C CB . GLU 200 200 ? A 64.827 46.744 -60.344 1.000 1 A 43.380 1 ATOM 1554 C CG . GLU 200 200 ? A 64.263 45.511 -61.035 1.000 1 A 43.380 1 ATOM 1555 C CD . GLU 200 200 ? A 64.631 45.429 -62.508 1.000 1 A 43.380 1 ATOM 1556 O OE1 . GLU 200 200 ? A 64.483 44.341 -63.111 1.000 1 A 43.380 1 ATOM 1557 O OE2 . GLU 200 200 ? A 65.071 46.460 -63.064 1.000 1 A 43.380 1 ATOM 1558 N N . ARG 201 201 ? A 66.660 47.522 -57.423 1.000 1 A 42.500 1 ATOM 1559 C CA . ARG 201 201 ? A 68.002 47.931 -57.825 1.000 1 A 42.500 1 ATOM 1560 C C . ARG 201 201 ? A 69.009 47.676 -56.708 1.000 1 A 42.500 1 ATOM 1561 O O . ARG 201 201 ? A 68.841 48.167 -55.590 1.000 1 A 42.500 1 ATOM 1562 C CB . ARG 201 201 ? A 68.019 49.410 -58.218 1.000 1 A 42.500 1 ATOM 1563 C CG . ARG 201 201 ? A 68.975 49.735 -59.355 1.000 1 A 42.500 1 ATOM 1564 C CD . ARG 201 201 ? A 68.865 51.190 -59.786 1.000 1 A 42.500 1 ATOM 1565 N NE . ARG 201 201 ? A 69.285 51.375 -61.172 1.000 1 A 42.500 1 ATOM 1566 C CZ . ARG 201 201 ? A 70.147 52.300 -61.586 1.000 1 A 42.500 1 ATOM 1567 N NH1 . ARG 201 201 ? A 70.698 53.147 -60.724 1.000 1 A 42.500 1 ATOM 1568 N NH2 . ARG 201 201 ? A 70.460 52.380 -62.871 1.000 1 A 42.500 1 ATOM 1569 N N . SER 202 202 ? A 69.964 46.643 -56.870 1.000 1 A 47.500 1 ATOM 1570 C CA . SER 202 202 ? A 71.286 46.596 -57.486 1.000 1 A 47.500 1 ATOM 1571 C C . SER 202 202 ? A 72.374 46.361 -56.443 1.000 1 A 47.500 1 ATOM 1572 O O . SER 202 202 ? A 72.429 47.059 -55.427 1.000 1 A 47.500 1 ATOM 1573 C CB . SER 202 202 ? A 71.569 47.892 -58.247 1.000 1 A 47.500 1 ATOM 1574 O OG . SER 202 202 ? A 71.375 49.019 -57.410 1.000 1 A 47.500 1 ATOM 1575 N N . SER 203 203 ? A 73.007 45.065 -56.617 1.000 1 A 45.900 1 ATOM 1576 C CA . SER 203 203 ? A 74.204 44.670 -57.353 1.000 1 A 45.900 1 ATOM 1577 C C . SER 203 203 ? A 74.927 43.522 -56.655 1.000 1 A 45.900 1 ATOM 1578 O O . SER 203 203 ? A 75.231 43.606 -55.464 1.000 1 A 45.900 1 ATOM 1579 C CB . SER 203 203 ? A 75.152 45.858 -57.513 1.000 1 A 45.900 1 ATOM 1580 O OG . SER 203 203 ? A 75.129 46.680 -56.358 1.000 1 A 45.900 1 ATOM 1581 N N . VAL 204 204 ? A 74.903 42.285 -57.407 1.000 1 A 47.090 1 ATOM 1582 C CA . VAL 204 204 ? A 75.701 41.654 -58.453 1.000 1 A 47.090 1 ATOM 1583 C C . VAL 204 204 ? A 76.160 40.273 -57.991 1.000 1 A 47.090 1 ATOM 1584 O O . VAL 204 204 ? A 76.787 40.140 -56.937 1.000 1 A 47.090 1 ATOM 1585 C CB . VAL 204 204 ? A 76.921 42.520 -58.837 1.000 1 A 47.090 1 ATOM 1586 C CG1 . VAL 204 204 ? A 77.158 42.481 -60.345 1.000 1 A 47.090 1 ATOM 1587 C CG2 . VAL 204 204 ? A 76.725 43.958 -58.361 1.000 1 A 47.090 1 ATOM 1588 N N . SER 205 205 ? A 75.568 39.231 -58.759 1.000 1 A 42.420 1 ATOM 1589 C CA . SER 205 205 ? A 75.975 38.649 -60.033 1.000 1 A 42.420 1 ATOM 1590 C C . SER 205 205 ? A 76.250 37.155 -59.896 1.000 1 A 42.420 1 ATOM 1591 O O . SER 205 205 ? A 77.101 36.746 -59.103 1.000 1 A 42.420 1 ATOM 1592 C CB . SER 205 205 ? A 77.217 39.357 -60.575 1.000 1 A 42.420 1 ATOM 1593 O OG . SER 205 205 ? A 77.672 38.735 -61.765 1.000 1 A 42.420 1 ATOM 1594 N N . SER 206 206 ? A 75.219 36.411 -60.609 1.000 1 A 44.170 1 ATOM 1595 C CA . SER 206 206 ? A 74.840 35.880 -61.914 1.000 1 A 44.170 1 ATOM 1596 C C . SER 206 206 ? A 75.038 34.369 -61.975 1.000 1 A 44.170 1 ATOM 1597 O O . SER 206 206 ? A 76.118 33.866 -61.658 1.000 1 A 44.170 1 ATOM 1598 C CB . SER 206 206 ? A 75.650 36.553 -63.023 1.000 1 A 44.170 1 ATOM 1599 O OG . SER 206 206 ? A 75.625 37.963 -62.879 1.000 1 A 44.170 1 ATOM 1600 N N . ASN 207 207 ? A 73.874 33.700 -62.180 1.000 1 A 42.830 1 ATOM 1601 C CA . ASN 207 207 ? A 73.096 33.343 -63.361 1.000 1 A 42.830 1 ATOM 1602 C C . ASN 207 207 ? A 73.037 31.831 -63.559 1.000 1 A 42.830 1 ATOM 1603 O O . ASN 207 207 ? A 74.074 31.171 -63.642 1.000 1 A 42.830 1 ATOM 1604 C CB . ASN 207 207 ? A 73.672 34.019 -64.608 1.000 1 A 42.830 1 ATOM 1605 C CG . ASN 207 207 ? A 73.127 35.418 -64.818 1.000 1 A 42.830 1 ATOM 1606 O OD1 . ASN 207 207 ? A 72.157 35.824 -64.171 1.000 1 A 42.830 1 ATOM 1607 N ND2 . ASN 207 207 ? A 73.746 36.166 -65.723 1.000 1 A 42.830 1 ATOM 1608 N N . ASP 208 208 ? A 71.761 31.307 -63.550 1.000 1 A 41.080 1 ATOM 1609 C CA . ASP 208 208 ? A 70.759 31.218 -64.608 1.000 1 A 41.080 1 ATOM 1610 C C . ASP 208 208 ? A 70.500 29.764 -64.997 1.000 1 A 41.080 1 ATOM 1611 O O . ASP 208 208 ? A 71.430 29.034 -65.348 1.000 1 A 41.080 1 ATOM 1612 C CB . ASP 208 208 ? A 71.200 32.020 -65.834 1.000 1 A 41.080 1 ATOM 1613 C CG . ASP 208 208 ? A 70.064 32.800 -66.472 1.000 1 A 41.080 1 ATOM 1614 O OD1 . ASP 208 208 ? A 68.928 32.759 -65.952 1.000 1 A 41.080 1 ATOM 1615 O OD2 . ASP 208 208 ? A 70.306 33.459 -67.506 1.000 1 A 41.080 1 ATOM 1616 N N . THR 209 209 ? A 69.174 29.238 -64.846 1.000 1 A 44.160 1 ATOM 1617 C CA . THR 209 209 ? A 68.020 29.252 -65.737 1.000 1 A 44.160 1 ATOM 1618 C C . THR 209 209 ? A 67.393 27.864 -65.833 1.000 1 A 44.160 1 ATOM 1619 O O . THR 209 209 ? A 68.083 26.884 -66.125 1.000 1 A 44.160 1 ATOM 1620 C CB . THR 209 209 ? A 68.406 29.742 -67.145 1.000 1 A 44.160 1 ATOM 1621 O OG1 . THR 209 209 ? A 69.756 30.223 -67.123 1.000 1 A 44.160 1 ATOM 1622 C CG2 . THR 209 209 ? A 67.486 30.866 -67.608 1.000 1 A 44.160 1 ATOM 1623 N N . SER 210 210 ? A 66.099 27.651 -65.524 1.000 1 A 38.050 1 ATOM 1624 C CA . SER 210 210 ? A 64.684 27.600 -65.879 1.000 1 A 38.050 1 ATOM 1625 C C . SER 210 210 ? A 64.388 26.424 -66.804 1.000 1 A 38.050 1 ATOM 1626 O O . SER 210 210 ? A 65.113 26.192 -67.773 1.000 1 A 38.050 1 ATOM 1627 C CB . SER 210 210 ? A 64.252 28.906 -66.547 1.000 1 A 38.050 1 ATOM 1628 O OG . SER 210 210 ? A 64.677 30.025 -65.789 1.000 1 A 38.050 1 ATOM 1629 N N . GLU 211 211 ? A 63.308 25.617 -66.530 1.000 1 A 37.710 1 ATOM 1630 C CA . GLU 211 211 ? A 61.937 25.438 -66.999 1.000 1 A 37.710 1 ATOM 1631 C C . GLU 211 211 ? A 61.812 24.197 -67.879 1.000 1 A 37.710 1 ATOM 1632 O O . GLU 211 211 ? A 62.646 23.965 -68.756 1.000 1 A 37.710 1 ATOM 1633 C CB . GLU 211 211 ? A 61.465 26.676 -67.765 1.000 1 A 37.710 1 ATOM 1634 C CG . GLU 211 211 ? A 61.158 27.871 -66.874 1.000 1 A 37.710 1 ATOM 1635 C CD . GLU 211 211 ? A 60.077 28.778 -67.438 1.000 1 A 37.710 1 ATOM 1636 O OE1 . GLU 211 211 ? A 59.458 29.541 -66.662 1.000 1 A 37.710 1 ATOM 1637 O OE2 . GLU 211 211 ? A 59.846 28.726 -68.667 1.000 1 A 37.710 1 ATOM 1638 N N . HIS 212 212 ? A 60.904 23.217 -67.599 1.000 1 A 43.010 1 ATOM 1639 C CA . HIS 212 212 ? A 59.729 22.808 -68.360 1.000 1 A 43.010 1 ATOM 1640 C C . HIS 212 212 ? A 59.850 21.360 -68.824 1.000 1 A 43.010 1 ATOM 1641 O O . HIS 212 212 ? A 60.837 20.989 -69.465 1.000 1 A 43.010 1 ATOM 1642 C CB . HIS 212 212 ? A 59.523 23.729 -69.564 1.000 1 A 43.010 1 ATOM 1643 C CG . HIS 212 212 ? A 58.105 24.169 -69.746 1.000 1 A 43.010 1 ATOM 1644 N ND1 . HIS 212 212 ? A 57.134 23.349 -70.278 1.000 1 A 43.010 1 ATOM 1645 C CD2 . HIS 212 212 ? A 57.496 25.345 -69.464 1.000 1 A 43.010 1 ATOM 1646 C CE1 . HIS 212 212 ? A 55.985 24.004 -70.315 1.000 1 A 43.010 1 ATOM 1647 N NE2 . HIS 212 212 ? A 56.178 25.217 -69.827 1.000 1 A 43.010 1 ATOM 1648 N N . LEU 213 213 ? A 59.166 20.270 -68.333 1.000 1 A 41.550 1 ATOM 1649 C CA . LEU 213 213 ? A 58.560 19.008 -68.743 1.000 1 A 41.550 1 ATOM 1650 C C . LEU 213 213 ? A 58.816 18.737 -70.222 1.000 1 A 41.550 1 ATOM 1651 O O . LEU 213 213 ? A 58.880 19.670 -71.026 1.000 1 A 41.550 1 ATOM 1652 C CB . LEU 213 213 ? A 57.054 19.022 -68.468 1.000 1 A 41.550 1 ATOM 1653 C CG . LEU 213 213 ? A 56.618 18.608 -67.062 1.000 1 A 41.550 1 ATOM 1654 C CD1 . LEU 213 213 ? A 55.922 19.769 -66.359 1.000 1 A 41.550 1 ATOM 1655 C CD2 . LEU 213 213 ? A 55.704 17.388 -67.122 1.000 1 A 41.550 1 ATOM 1656 N N . PRO 214 214 ? A 58.508 17.302 -70.731 1.000 1 A 49.110 1 ATOM 1657 C CA . PRO 214 214 ? A 58.604 15.842 -70.804 1.000 1 A 49.110 1 ATOM 1658 C C . PRO 214 214 ? A 59.172 15.355 -72.136 1.000 1 A 49.110 1 ATOM 1659 O O . PRO 214 214 ? A 59.417 16.159 -73.038 1.000 1 A 49.110 1 ATOM 1660 C CB . PRO 214 214 ? A 57.155 15.383 -70.628 1.000 1 A 49.110 1 ATOM 1661 C CG . PRO 214 214 ? A 56.337 16.427 -71.319 1.000 1 A 49.110 1 ATOM 1662 C CD . PRO 214 214 ? A 57.247 17.547 -71.736 1.000 1 A 49.110 1 ATOM 1663 N N . GLN 215 215 ? A 59.930 14.199 -72.051 1.000 1 A 42.000 1 ATOM 1664 C CA . GLN 215 215 ? A 59.976 13.140 -73.053 1.000 1 A 42.000 1 ATOM 1665 C C . GLN 215 215 ? A 61.394 12.941 -73.579 1.000 1 A 42.000 1 ATOM 1666 O O . GLN 215 215 ? A 62.038 13.895 -74.020 1.000 1 A 42.000 1 ATOM 1667 C CB . GLN 215 215 ? A 59.026 13.454 -74.210 1.000 1 A 42.000 1 ATOM 1668 C CG . GLN 215 215 ? A 57.746 12.629 -74.196 1.000 1 A 42.000 1 ATOM 1669 C CD . GLN 215 215 ? A 56.758 13.060 -75.264 1.000 1 A 42.000 1 ATOM 1670 O OE1 . GLN 215 215 ? A 57.134 13.687 -76.259 1.000 1 A 42.000 1 ATOM 1671 N NE2 . GLN 215 215 ? A 55.487 12.728 -75.065 1.000 1 A 42.000 1 ATOM 1672 N N . GLN 216 216 ? A 62.068 11.844 -73.162 1.000 1 A 40.250 1 ATOM 1673 C CA . GLN 216 216 ? A 62.547 10.812 -74.075 1.000 1 A 40.250 1 ATOM 1674 C C . GLN 216 216 ? A 64.065 10.865 -74.218 1.000 1 A 40.250 1 ATOM 1675 O O . GLN 216 216 ? A 64.630 11.921 -74.510 1.000 1 A 40.250 1 ATOM 1676 C CB . GLN 216 216 ? A 61.885 10.958 -75.447 1.000 1 A 40.250 1 ATOM 1677 C CG . GLN 216 216 ? A 60.466 10.411 -75.506 1.000 1 A 40.250 1 ATOM 1678 C CD . GLN 216 216 ? A 60.063 9.975 -76.902 1.000 1 A 40.250 1 ATOM 1679 O OE1 . GLN 216 216 ? A 60.457 10.591 -77.897 1.000 1 A 40.250 1 ATOM 1680 N NE2 . GLN 216 216 ? A 59.273 8.910 -76.986 1.000 1 A 40.250 1 ATOM 1681 N N . HIS 217 217 ? A 64.818 9.898 -73.547 1.000 1 A 44.390 1 ATOM 1682 C CA . HIS 217 217 ? A 65.692 8.905 -74.161 1.000 1 A 44.390 1 ATOM 1683 C C . HIS 217 217 ? A 67.160 9.262 -73.956 1.000 1 A 44.390 1 ATOM 1684 O O . HIS 217 217 ? A 67.589 10.365 -74.301 1.000 1 A 44.390 1 ATOM 1685 C CB . HIS 217 217 ? A 65.387 8.774 -75.655 1.000 1 A 44.390 1 ATOM 1686 C CG . HIS 217 217 ? A 64.542 7.587 -75.993 1.000 1 A 44.390 1 ATOM 1687 N ND1 . HIS 217 217 ? A 65.047 6.306 -76.043 1.000 1 A 44.390 1 ATOM 1688 C CD2 . HIS 217 217 ? A 63.226 7.489 -76.295 1.000 1 A 44.390 1 ATOM 1689 C CE1 . HIS 217 217 ? A 64.074 5.468 -76.363 1.000 1 A 44.390 1 ATOM 1690 N NE2 . HIS 217 217 ? A 62.959 6.161 -76.521 1.000 1 A 44.390 1 ATOM 1691 N N . ARG 218 218 ? A 67.817 8.455 -73.130 1.000 1 A 42.810 1 ATOM 1692 C CA . ARG 218 218 ? A 68.929 7.639 -73.604 1.000 1 A 42.810 1 ATOM 1693 C C . ARG 218 218 ? A 70.111 7.712 -72.643 1.000 1 A 42.810 1 ATOM 1694 O O . ARG 218 218 ? A 70.633 8.797 -72.375 1.000 1 A 42.810 1 ATOM 1695 C CB . ARG 218 218 ? A 69.363 8.080 -75.003 1.000 1 A 42.810 1 ATOM 1696 C CG . ARG 218 218 ? A 68.845 7.188 -76.120 1.000 1 A 42.810 1 ATOM 1697 C CD . ARG 218 218 ? A 69.921 6.900 -77.158 1.000 1 A 42.810 1 ATOM 1698 N NE . ARG 218 218 ? A 69.554 5.779 -78.017 1.000 1 A 42.810 1 ATOM 1699 C CZ . ARG 218 218 ? A 70.079 5.539 -79.216 1.000 1 A 42.810 1 ATOM 1700 N NH1 . ARG 218 218 ? A 71.008 6.342 -79.722 1.000 1 A 42.810 1 ATOM 1701 N NH2 . ARG 218 218 ? A 69.673 4.489 -79.914 1.000 1 A 42.810 1 ATOM 1702 N N . ASP 219 219 ? A 70.260 6.644 -71.898 1.000 1 A 41.010 1 ATOM 1703 C CA . ASP 219 219 ? A 71.144 5.486 -71.981 1.000 1 A 41.010 1 ATOM 1704 C C . ASP 219 219 ? A 72.610 5.907 -71.919 1.000 1 A 41.010 1 ATOM 1705 O O . ASP 219 219 ? A 73.056 6.740 -72.711 1.000 1 A 41.010 1 ATOM 1706 C CB . ASP 219 219 ? A 70.877 4.698 -73.265 1.000 1 A 41.010 1 ATOM 1707 C CG . ASP 219 219 ? A 69.529 3.999 -73.263 1.000 1 A 41.010 1 ATOM 1708 O OD1 . ASP 219 219 ? A 69.046 3.609 -72.179 1.000 1 A 41.010 1 ATOM 1709 O OD2 . ASP 219 219 ? A 68.946 3.834 -74.357 1.000 1 A 41.010 1 ATOM 1710 N N . TYR 220 220 ? A 73.226 5.445 -70.851 1.000 1 A 43.440 1 ATOM 1711 C CA . TYR 220 220 ? A 74.297 4.455 -70.838 1.000 1 A 43.440 1 ATOM 1712 C C . TYR 220 220 ? A 75.421 4.880 -69.902 1.000 1 A 43.440 1 ATOM 1713 O O . TYR 220 220 ? A 75.950 5.988 -70.019 1.000 1 A 43.440 1 ATOM 1714 C CB . TYR 220 220 ? A 74.847 4.239 -72.251 1.000 1 A 43.440 1 ATOM 1715 C CG . TYR 220 220 ? A 74.325 2.992 -72.922 1.000 1 A 43.440 1 ATOM 1716 C CD1 . TYR 220 220 ? A 74.959 1.764 -72.744 1.000 1 A 43.440 1 ATOM 1717 C CD2 . TYR 220 220 ? A 73.199 3.039 -73.737 1.000 1 A 43.440 1 ATOM 1718 C CE1 . TYR 220 220 ? A 74.482 0.613 -73.362 1.000 1 A 43.440 1 ATOM 1719 C CE2 . TYR 220 220 ? A 72.714 1.894 -74.360 1.000 1 A 43.440 1 ATOM 1720 C CZ . TYR 220 220 ? A 73.361 0.687 -74.166 1.000 1 A 43.440 1 ATOM 1721 O OH . TYR 220 220 ? A 72.885 -0.450 -74.780 1.000 1 A 43.440 1 ATOM 1722 N N . LEU 221 221 ? A 75.509 4.016 -68.789 1.000 1 A 47.600 1 ATOM 1723 C CA . LEU 221 221 ? A 76.608 3.071 -68.621 1.000 1 A 47.600 1 ATOM 1724 C C . LEU 221 221 ? A 76.977 2.923 -67.149 1.000 1 A 47.600 1 ATOM 1725 O O . LEU 221 221 ? A 77.383 3.894 -66.505 1.000 1 A 47.600 1 ATOM 1726 C CB . LEU 221 221 ? A 77.831 3.522 -69.423 1.000 1 A 47.600 1 ATOM 1727 C CG . LEU 221 221 ? A 78.113 2.756 -70.717 1.000 1 A 47.600 1 ATOM 1728 C CD1 . LEU 221 221 ? A 78.240 3.724 -71.889 1.000 1 A 47.600 1 ATOM 1729 C CD2 . LEU 221 221 ? A 79.376 1.913 -70.575 1.000 1 A 47.600 1 ATOM 1730 N N . GLU 222 222 ? A 76.604 1.733 -66.552 1.000 1 A 43.930 1 ATOM 1731 C CA . GLU 222 222 ? A 77.507 0.589 -66.468 1.000 1 A 43.930 1 ATOM 1732 C C . GLU 222 222 ? A 77.827 0.244 -65.017 1.000 1 A 43.930 1 ATOM 1733 O O . GLU 222 222 ? A 78.349 1.079 -64.275 1.000 1 A 43.930 1 ATOM 1734 C CB . GLU 222 222 ? A 78.800 0.866 -67.240 1.000 1 A 43.930 1 ATOM 1735 C CG . GLU 222 222 ? A 79.429 -0.377 -67.852 1.000 1 A 43.930 1 ATOM 1736 C CD . GLU 222 222 ? A 80.175 -0.097 -69.147 1.000 1 A 43.930 1 ATOM 1737 O OE1 . GLU 222 222 ? A 80.636 -1.059 -69.802 1.000 1 A 43.930 1 ATOM 1738 O OE2 . GLU 222 222 ? A 80.299 1.094 -69.509 1.000 1 A 43.930 1 ATOM 1739 N N . GLU 223 223 ? A 77.266 -0.941 -64.478 1.000 1 A 45.110 1 ATOM 1740 C CA . GLU 223 223 ? A 77.686 -2.334 -64.360 1.000 1 A 45.110 1 ATOM 1741 C C . GLU 223 223 ? A 78.719 -2.507 -63.251 1.000 1 A 45.110 1 ATOM 1742 O O . GLU 223 223 ? A 79.812 -1.940 -63.319 1.000 1 A 45.110 1 ATOM 1743 C CB . GLU 223 223 ? A 78.252 -2.839 -65.690 1.000 1 A 45.110 1 ATOM 1744 C CG . GLU 223 223 ? A 78.012 -4.322 -65.937 1.000 1 A 45.110 1 ATOM 1745 C CD . GLU 223 223 ? A 77.985 -4.687 -67.412 1.000 1 A 45.110 1 ATOM 1746 O OE1 . GLU 223 223 ? A 77.579 -5.823 -67.749 1.000 1 A 45.110 1 ATOM 1747 O OE2 . GLU 223 223 ? A 78.373 -3.832 -68.238 1.000 1 A 45.110 1 ATOM 1748 N N . ALA 224 224 ? A 78.218 -3.023 -62.083 1.000 1 A 50.510 1 ATOM 1749 C CA . ALA 224 224 ? A 78.967 -3.997 -61.292 1.000 1 A 50.510 1 ATOM 1750 C C . ALA 224 224 ? A 78.035 -5.041 -60.683 1.000 1 A 50.510 1 ATOM 1751 O O . ALA 224 224 ? A 77.071 -4.696 -59.995 1.000 1 A 50.510 1 ATOM 1752 C CB . ALA 224 224 ? A 79.762 -3.293 -60.195 1.000 1 A 50.510 1 ATOM 1753 N N . MET 225 225 ? A 77.782 -6.275 -61.369 1.000 1 A 52.840 1 ATOM 1754 C CA . MET 225 225 ? A 78.444 -7.560 -61.159 1.000 1 A 52.840 1 ATOM 1755 C C . MET 225 225 ? A 77.916 -8.245 -59.903 1.000 1 A 52.840 1 ATOM 1756 O O . MET 225 225 ? A 78.042 -7.712 -58.800 1.000 1 A 52.840 1 ATOM 1757 C CB . MET 225 225 ? A 79.959 -7.374 -61.056 1.000 1 A 52.840 1 ATOM 1758 C CG . MET 225 225 ? A 80.643 -7.163 -62.397 1.000 1 A 52.840 1 ATOM 1759 S SD . MET 225 225 ? A 82.460 -7.404 -62.305 1.000 1 A 52.840 1 ATOM 1760 C CE . MET 225 225 ? A 83.025 -5.914 -63.172 1.000 1 A 52.840 1 ATOM 1761 N N . ALA 226 226 ? A 76.917 -9.267 -60.053 1.000 1 A 49.230 1 ATOM 1762 C CA . ALA 226 226 ? A 77.320 -10.668 -59.966 1.000 1 A 49.230 1 ATOM 1763 C C . ALA 226 226 ? A 76.436 -11.432 -58.985 1.000 1 A 49.230 1 ATOM 1764 O O . ALA 226 226 ? A 76.347 -11.072 -57.808 1.000 1 A 49.230 1 ATOM 1765 C CB . ALA 226 226 ? A 78.786 -10.775 -59.551 1.000 1 A 49.230 1 ATOM 1766 N N . LYS 227 227 ? A 75.397 -12.258 -59.422 1.000 1 A 47.390 1 ATOM 1767 C CA . LYS 227 227 ? A 75.268 -13.680 -59.727 1.000 1 A 47.390 1 ATOM 1768 C C . LYS 227 227 ? A 75.605 -14.536 -58.509 1.000 1 A 47.390 1 ATOM 1769 O O . LYS 227 227 ? A 76.693 -14.419 -57.943 1.000 1 A 47.390 1 ATOM 1770 C CB . LYS 227 227 ? A 76.171 -14.062 -60.901 1.000 1 A 47.390 1 ATOM 1771 C CG . LYS 227 227 ? A 75.460 -14.086 -62.246 1.000 1 A 47.390 1 ATOM 1772 C CD . LYS 227 227 ? A 76.350 -14.665 -63.338 1.000 1 A 47.390 1 ATOM 1773 C CE . LYS 227 227 ? A 75.672 -14.612 -64.700 1.000 1 A 47.390 1 ATOM 1774 N NZ . LYS 227 227 ? A 76.192 -15.668 -65.620 1.000 1 A 47.390 1 ATOM 1775 N N . ARG 228 228 ? A 74.489 -15.121 -57.731 1.000 1 A 50.360 1 ATOM 1776 C CA . ARG 228 228 ? A 74.486 -16.545 -57.414 1.000 1 A 50.360 1 ATOM 1777 C C . ARG 228 228 ? A 73.181 -16.954 -56.741 1.000 1 A 50.360 1 ATOM 1778 O O . ARG 228 228 ? A 72.823 -16.418 -55.690 1.000 1 A 50.360 1 ATOM 1779 C CB . ARG 228 228 ? A 75.673 -16.898 -56.514 1.000 1 A 50.360 1 ATOM 1780 C CG . ARG 228 228 ? A 76.237 -18.289 -56.755 1.000 1 A 50.360 1 ATOM 1781 C CD . ARG 228 228 ? A 77.365 -18.616 -55.787 1.000 1 A 50.360 1 ATOM 1782 N NE . ARG 228 228 ? A 78.214 -19.691 -56.292 1.000 1 A 50.360 1 ATOM 1783 C CZ . ARG 228 228 ? A 78.771 -20.635 -55.538 1.000 1 A 50.360 1 ATOM 1784 N NH1 . ARG 228 228 ? A 78.577 -20.655 -54.224 1.000 1 A 50.360 1 ATOM 1785 N NH2 . ARG 228 228 ? A 79.526 -21.566 -56.101 1.000 1 A 50.360 1 ATOM 1786 N N . GLY 229 229 ? A 72.169 -17.566 -57.442 1.000 1 A 52.690 1 ATOM 1787 C CA . GLY 229 229 ? A 71.841 -18.983 -57.429 1.000 1 A 52.690 1 ATOM 1788 C C . GLY 229 229 ? A 70.351 -19.252 -57.516 1.000 1 A 52.690 1 ATOM 1789 O O . GLY 229 229 ? A 69.591 -18.859 -56.628 1.000 1 A 52.690 1 ATOM 1790 N N . GLN 230 230 ? A 69.884 -19.548 -58.688 1.000 1 A 42.460 1 ATOM 1791 C CA . GLN 230 230 ? A 68.880 -20.421 -59.287 1.000 1 A 42.460 1 ATOM 1792 C C . GLN 230 230 ? A 69.496 -21.746 -59.728 1.000 1 A 42.460 1 ATOM 1793 O O . GLN 230 230 ? A 70.503 -21.762 -60.439 1.000 1 A 42.460 1 ATOM 1794 C CB . GLN 230 230 ? A 68.209 -19.732 -60.476 1.000 1 A 42.460 1 ATOM 1795 C CG . GLN 230 230 ? A 67.115 -18.750 -60.081 1.000 1 A 42.460 1 ATOM 1796 C CD . GLN 230 230 ? A 65.998 -18.672 -61.105 1.000 1 A 42.460 1 ATOM 1797 O OE1 . GLN 230 230 ? A 65.902 -19.515 -62.003 1.000 1 A 42.460 1 ATOM 1798 N NE2 . GLN 230 230 ? A 65.146 -17.661 -60.977 1.000 1 A 42.460 1 ATOM 1799 N N . ASP 231 231 ? A 69.166 -22.916 -58.931 1.000 1 A 47.230 1 ATOM 1800 C CA . ASP 231 231 ? A 68.989 -24.285 -59.406 1.000 1 A 47.230 1 ATOM 1801 C C . ASP 231 231 ? A 68.223 -25.125 -58.388 1.000 1 A 47.230 1 ATOM 1802 O O . ASP 231 231 ? A 68.550 -25.120 -57.199 1.000 1 A 47.230 1 ATOM 1803 C CB . ASP 231 231 ? A 70.344 -24.929 -59.707 1.000 1 A 47.230 1 ATOM 1804 C CG . ASP 231 231 ? A 70.872 -24.582 -61.088 1.000 1 A 47.230 1 ATOM 1805 O OD1 . ASP 231 231 ? A 70.075 -24.176 -61.961 1.000 1 A 47.230 1 ATOM 1806 O OD2 . ASP 231 231 ? A 72.095 -24.719 -61.305 1.000 1 A 47.230 1 ATOM 1807 N N . TRP 232 232 ? A 66.909 -25.737 -58.604 1.000 1 A 42.660 1 ATOM 1808 C CA . TRP 232 232 ? A 66.319 -27.020 -58.971 1.000 1 A 42.660 1 ATOM 1809 C C . TRP 232 232 ? A 65.334 -27.491 -57.907 1.000 1 A 42.660 1 ATOM 1810 O O . TRP 232 232 ? A 65.652 -27.496 -56.716 1.000 1 A 42.660 1 ATOM 1811 C CB . TRP 232 232 ? A 67.410 -28.074 -59.177 1.000 1 A 42.660 1 ATOM 1812 C CG . TRP 232 232 ? A 68.210 -27.886 -60.432 1.000 1 A 42.660 1 ATOM 1813 C CD1 . TRP 232 232 ? A 69.393 -27.213 -60.562 1.000 1 A 42.660 1 ATOM 1814 C CD2 . TRP 232 232 ? A 67.880 -28.375 -61.736 1.000 1 A 42.660 1 ATOM 1815 N NE1 . TRP 232 232 ? A 69.819 -27.254 -61.869 1.000 1 A 42.660 1 ATOM 1816 C CE2 . TRP 232 232 ? A 68.910 -27.960 -62.609 1.000 1 A 42.660 1 ATOM 1817 C CE3 . TRP 232 232 ? A 66.814 -29.124 -62.250 1.000 1 A 42.660 1 ATOM 1818 C CZ2 . TRP 232 232 ? A 68.904 -28.271 -63.971 1.000 1 A 42.660 1 ATOM 1819 C CZ3 . TRP 232 232 ? A 66.810 -29.432 -63.606 1.000 1 A 42.660 1 ATOM 1820 C CH2 . TRP 232 232 ? A 67.849 -29.005 -64.449 1.000 1 A 42.660 1 ATOM 1821 N N . THR 233 233 ? A 63.934 -27.608 -58.099 1.000 1 A 46.490 1 ATOM 1822 C CA . THR 233 233 ? A 62.888 -28.602 -58.308 1.000 1 A 46.490 1 ATOM 1823 C C . THR 233 233 ? A 61.960 -28.674 -57.098 1.000 1 A 46.490 1 ATOM 1824 O O . THR 233 233 ? A 62.410 -28.925 -55.978 1.000 1 A 46.490 1 ATOM 1825 C CB . THR 233 233 ? A 63.487 -29.994 -58.583 1.000 1 A 46.490 1 ATOM 1826 O OG1 . THR 233 233 ? A 64.556 -30.238 -57.660 1.000 1 A 46.490 1 ATOM 1827 C CG2 . THR 233 233 ? A 64.027 -30.089 -60.006 1.000 1 A 46.490 1 ATOM 1828 N N . HIS 234 234 ? A 60.655 -28.195 -57.182 1.000 1 A 49.780 1 ATOM 1829 C CA . HIS 234 234 ? A 59.312 -28.731 -57.371 1.000 1 A 49.780 1 ATOM 1830 C C . HIS 234 234 ? A 58.250 -27.687 -57.041 1.000 1 A 49.780 1 ATOM 1831 O O . HIS 234 234 ? A 58.345 -27.000 -56.021 1.000 1 A 49.780 1 ATOM 1832 C CB . HIS 234 234 ? A 59.107 -29.979 -56.510 1.000 1 A 49.780 1 ATOM 1833 C CG . HIS 234 234 ? A 59.984 -31.126 -56.898 1.000 1 A 49.780 1 ATOM 1834 N ND1 . HIS 234 234 ? A 59.684 -31.973 -57.943 1.000 1 A 49.780 1 ATOM 1835 C CD2 . HIS 234 234 ? A 61.157 -31.563 -56.380 1.000 1 A 49.780 1 ATOM 1836 C CE1 . HIS 234 234 ? A 60.636 -32.885 -58.051 1.000 1 A 49.780 1 ATOM 1837 N NE2 . HIS 234 234 ? A 61.541 -32.658 -57.114 1.000 1 A 49.780 1 ATOM 1838 N N . PRO 235 235 ? A 57.043 -27.702 -57.757 1.000 1 A 53.690 1 ATOM 1839 C CA . PRO 235 235 ? A 55.997 -26.870 -58.356 1.000 1 A 53.690 1 ATOM 1840 C C . PRO 235 235 ? A 54.696 -26.890 -57.556 1.000 1 A 53.690 1 ATOM 1841 O O . PRO 235 235 ? A 54.516 -27.745 -56.686 1.000 1 A 53.690 1 ATOM 1842 C CB . PRO 235 235 ? A 55.797 -27.496 -59.739 1.000 1 A 53.690 1 ATOM 1843 C CG . PRO 235 235 ? A 55.998 -28.962 -59.527 1.000 1 A 53.690 1 ATOM 1844 C CD . PRO 235 235 ? A 56.472 -29.180 -58.118 1.000 1 A 53.690 1 ATOM 1845 N N . SER 236 236 ? A 54.120 -25.734 -57.215 1.000 1 A 45.680 1 ATOM 1846 C CA . SER 236 236 ? A 52.675 -25.639 -57.396 1.000 1 A 45.680 1 ATOM 1847 C C . SER 236 236 ? A 52.085 -24.512 -56.555 1.000 1 A 45.680 1 ATOM 1848 O O . SER 236 236 ? A 52.282 -24.470 -55.338 1.000 1 A 45.680 1 ATOM 1849 C CB . SER 236 236 ? A 52.001 -26.963 -57.034 1.000 1 A 45.680 1 ATOM 1850 O OG . SER 236 236 ? A 51.057 -27.335 -58.024 1.000 1 A 45.680 1 ATOM 1851 N N . MET 237 237 ? A 51.883 -23.442 -57.207 1.000 1 A 45.970 1 ATOM 1852 C CA . MET 237 237 ? A 50.638 -22.753 -57.530 1.000 1 A 45.970 1 ATOM 1853 C C . MET 237 237 ? A 50.780 -21.248 -57.328 1.000 1 A 45.970 1 ATOM 1854 O O . MET 237 237 ? A 51.036 -20.789 -56.214 1.000 1 A 45.970 1 ATOM 1855 C CB . MET 237 237 ? A 49.488 -23.289 -56.676 1.000 1 A 45.970 1 ATOM 1856 C CG . MET 237 237 ? A 49.258 -24.784 -56.826 1.000 1 A 45.970 1 ATOM 1857 S SD . MET 237 237 ? A 47.921 -25.173 -58.020 1.000 1 A 45.970 1 ATOM 1858 C CE . MET 237 237 ? A 47.946 -26.986 -57.949 1.000 1 A 45.970 1 ATOM 1859 N N . MET 238 238 ? A 51.197 -20.579 -58.413 1.000 1 A 48.990 1 ATOM 1860 C CA . MET 238 238 ? A 50.823 -19.467 -59.282 1.000 1 A 48.990 1 ATOM 1861 C C . MET 238 238 ? A 50.139 -18.360 -58.487 1.000 1 A 48.990 1 ATOM 1862 O O . MET 238 238 ? A 49.311 -18.636 -57.617 1.000 1 A 48.990 1 ATOM 1863 C CB . MET 238 238 ? A 49.904 -19.948 -60.406 1.000 1 A 48.990 1 ATOM 1864 C CG . MET 238 238 ? A 50.647 -20.434 -61.640 1.000 1 A 48.990 1 ATOM 1865 S SD . MET 238 238 ? A 49.531 -21.208 -62.874 1.000 1 A 48.990 1 ATOM 1866 C CE . MET 238 238 ? A 49.095 -19.753 -63.867 1.000 1 A 48.990 1 ATOM 1867 N N . PRO 239 239 ? A 50.263 -17.128 -59.040 1.000 1 A 44.980 1 ATOM 1868 C CA . PRO 239 239 ? A 50.610 -15.707 -58.966 1.000 1 A 44.980 1 ATOM 1869 C C . PRO 239 239 ? A 49.466 -14.796 -59.409 1.000 1 A 44.980 1 ATOM 1870 O O . PRO 239 239 ? A 48.490 -15.268 -59.997 1.000 1 A 44.980 1 ATOM 1871 C CB . PRO 239 239 ? A 51.804 -15.585 -59.916 1.000 1 A 44.980 1 ATOM 1872 C CG . PRO 239 239 ? A 51.518 -16.556 -61.016 1.000 1 A 44.980 1 ATOM 1873 C CD . PRO 239 239 ? A 50.285 -17.334 -60.656 1.000 1 A 44.980 1 ATOM 1874 N N . ASN 240 240 ? A 49.053 -13.766 -58.623 1.000 1 A 44.510 1 ATOM 1875 C CA . ASN 240 240 ? A 48.686 -12.479 -59.204 1.000 1 A 44.510 1 ATOM 1876 C C . ASN 240 240 ? A 47.210 -12.162 -58.978 1.000 1 A 44.510 1 ATOM 1877 O O . ASN 240 240 ? A 46.342 -12.985 -59.276 1.000 1 A 44.510 1 ATOM 1878 C CB . ASN 240 240 ? A 49.013 -12.451 -60.698 1.000 1 A 44.510 1 ATOM 1879 C CG . ASN 240 240 ? A 50.276 -11.671 -61.006 1.000 1 A 44.510 1 ATOM 1880 O OD1 . ASN 240 240 ? A 50.970 -11.207 -60.098 1.000 1 A 44.510 1 ATOM 1881 N ND2 . ASN 240 240 ? A 50.583 -11.523 -62.289 1.000 1 A 44.510 1 ATOM 1882 N N . ALA 241 241 ? A 46.845 -11.064 -58.183 1.000 1 A 42.230 1 ATOM 1883 C CA . ALA 241 241 ? A 46.245 -9.944 -58.903 1.000 1 A 42.230 1 ATOM 1884 C C . ALA 241 241 ? A 45.230 -9.212 -58.030 1.000 1 A 42.230 1 ATOM 1885 O O . ALA 241 241 ? A 44.412 -9.842 -57.356 1.000 1 A 42.230 1 ATOM 1886 C CB . ALA 241 241 ? A 45.583 -10.431 -60.189 1.000 1 A 42.230 1 ATOM 1887 N N . TRP 242 242 ? A 45.403 -7.924 -57.614 1.000 1 A 38.690 1 ATOM 1888 C CA . TRP 242 242 ? A 44.760 -6.744 -58.183 1.000 1 A 38.690 1 ATOM 1889 C C . TRP 242 242 ? A 43.251 -6.941 -58.280 1.000 1 A 38.690 1 ATOM 1890 O O . TRP 242 242 ? A 42.783 -7.954 -58.805 1.000 1 A 38.690 1 ATOM 1891 C CB . TRP 242 242 ? A 45.336 -6.432 -59.567 1.000 1 A 38.690 1 ATOM 1892 C CG . TRP 242 242 ? A 46.702 -5.815 -59.533 1.000 1 A 38.690 1 ATOM 1893 C CD1 . TRP 242 242 ? A 47.901 -6.457 -59.676 1.000 1 A 38.690 1 ATOM 1894 C CD2 . TRP 242 242 ? A 47.009 -4.431 -59.338 1.000 1 A 38.690 1 ATOM 1895 N NE1 . TRP 242 242 ? A 48.935 -5.555 -59.582 1.000 1 A 38.690 1 ATOM 1896 C CE2 . TRP 242 242 ? A 48.416 -4.306 -59.375 1.000 1 A 38.690 1 ATOM 1897 C CE3 . TRP 242 242 ? A 46.231 -3.284 -59.136 1.000 1 A 38.690 1 ATOM 1898 C CZ2 . TRP 242 242 ? A 49.060 -3.077 -59.218 1.000 1 A 38.690 1 ATOM 1899 C CZ3 . TRP 242 242 ? A 46.874 -2.061 -58.979 1.000 1 A 38.690 1 ATOM 1900 C CH2 . TRP 242 242 ? A 48.275 -1.970 -59.022 1.000 1 A 38.690 1 ATOM 1901 N N . ARG 243 243 ? A 42.511 -6.237 -57.480 1.000 1 A 41.510 1 ATOM 1902 C CA . ARG 243 243 ? A 41.425 -5.295 -57.729 1.000 1 A 41.510 1 ATOM 1903 C C . ARG 243 243 ? A 40.096 -6.023 -57.897 1.000 1 A 41.510 1 ATOM 1904 O O . ARG 243 243 ? A 40.039 -7.089 -58.514 1.000 1 A 41.510 1 ATOM 1905 C CB . ARG 243 243 ? A 41.720 -4.450 -58.971 1.000 1 A 41.510 1 ATOM 1906 C CG . ARG 243 243 ? A 42.770 -3.373 -58.748 1.000 1 A 41.510 1 ATOM 1907 C CD . ARG 243 243 ? A 42.925 -2.475 -59.967 1.000 1 A 41.510 1 ATOM 1908 N NE . ARG 243 243 ? A 43.960 -1.466 -59.766 1.000 1 A 41.510 1 ATOM 1909 C CZ . ARG 243 243 ? A 43.742 -0.155 -59.718 1.000 1 A 41.510 1 ATOM 1910 N NH1 . ARG 243 243 ? A 42.514 0.333 -59.856 1.000 1 A 41.510 1 ATOM 1911 N NH2 . ARG 243 243 ? A 44.757 0.675 -59.529 1.000 1 A 41.510 1 ATOM 1912 N N . PRO 244 244 ? A 38.928 -5.293 -57.422 1.000 1 A 48.340 1 ATOM 1913 C CA . PRO 244 244 ? A 37.488 -5.187 -57.177 1.000 1 A 48.340 1 ATOM 1914 C C . PRO 244 244 ? A 36.663 -5.273 -58.459 1.000 1 A 48.340 1 ATOM 1915 O O . PRO 244 244 ? A 37.188 -5.044 -59.552 1.000 1 A 48.340 1 ATOM 1916 C CB . PRO 244 244 ? A 37.343 -3.809 -56.526 1.000 1 A 48.340 1 ATOM 1917 C CG . PRO 244 244 ? A 38.376 -2.960 -57.193 1.000 1 A 48.340 1 ATOM 1918 C CD . PRO 244 244 ? A 39.206 -3.834 -58.088 1.000 1 A 48.340 1 ATOM 1919 N N . TYR 245 245 ? A 35.562 -6.096 -58.448 1.000 1 A 41.660 1 ATOM 1920 C CA . TYR 245 245 ? A 34.257 -5.957 -59.083 1.000 1 A 41.660 1 ATOM 1921 C C . TYR 245 245 ? A 33.393 -7.187 -58.831 1.000 1 A 41.660 1 ATOM 1922 O O . TYR 245 245 ? A 33.876 -8.319 -58.915 1.000 1 A 41.660 1 ATOM 1923 C CB . TYR 245 245 ? A 34.412 -5.728 -60.590 1.000 1 A 41.660 1 ATOM 1924 C CG . TYR 245 245 ? A 34.517 -4.272 -60.975 1.000 1 A 41.660 1 ATOM 1925 C CD1 . TYR 245 245 ? A 33.375 -3.504 -61.191 1.000 1 A 41.660 1 ATOM 1926 C CD2 . TYR 245 245 ? A 35.758 -3.662 -61.124 1.000 1 A 41.660 1 ATOM 1927 C CE1 . TYR 245 245 ? A 33.467 -2.163 -61.547 1.000 1 A 41.660 1 ATOM 1928 C CE2 . TYR 245 245 ? A 35.862 -2.321 -61.481 1.000 1 A 41.660 1 ATOM 1929 C CZ . TYR 245 245 ? A 34.713 -1.581 -61.690 1.000 1 A 41.660 1 ATOM 1930 O OH . TYR 245 245 ? A 34.809 -0.254 -62.043 1.000 1 A 41.660 1 ATOM 1931 N N . PRO 246 246 ? A 32.043 -6.906 -58.825 1.000 1 A 43.420 1 ATOM 1932 C CA . PRO 246 246 ? A 30.624 -7.125 -58.534 1.000 1 A 43.420 1 ATOM 1933 C C . PRO 246 246 ? A 29.974 -8.127 -59.486 1.000 1 A 43.420 1 ATOM 1934 O O . PRO 246 246 ? A 30.635 -8.640 -60.393 1.000 1 A 43.420 1 ATOM 1935 C CB . PRO 246 246 ? A 30.010 -5.733 -58.705 1.000 1 A 43.420 1 ATOM 1936 C CG . PRO 246 246 ? A 30.779 -5.111 -59.826 1.000 1 A 43.420 1 ATOM 1937 C CD . PRO 246 246 ? A 31.912 -6.026 -60.192 1.000 1 A 43.420 1 ATOM 1938 N N . PRO 247 247 ? A 28.521 -8.475 -59.333 1.000 1 A 46.800 1 ATOM 1939 C CA . PRO 247 247 ? A 27.202 -9.036 -59.029 1.000 1 A 46.800 1 ATOM 1940 C C . PRO 247 247 ? A 26.683 -9.954 -60.132 1.000 1 A 46.800 1 ATOM 1941 O O . PRO 247 247 ? A 27.252 -9.994 -61.226 1.000 1 A 46.800 1 ATOM 1942 C CB . PRO 247 247 ? A 26.316 -7.796 -58.888 1.000 1 A 46.800 1 ATOM 1943 C CG . PRO 247 247 ? A 26.854 -6.826 -59.891 1.000 1 A 46.800 1 ATOM 1944 C CD . PRO 247 247 ? A 28.104 -7.403 -60.489 1.000 1 A 46.800 1 ATOM 1945 N N . GLU 248 248 ? A 25.736 -10.942 -59.772 1.000 1 A 39.160 1 ATOM 1946 C CA . GLU 248 248 ? A 24.376 -11.288 -60.172 1.000 1 A 39.160 1 ATOM 1947 C C . GLU 248 248 ? A 24.354 -12.563 -61.009 1.000 1 A 39.160 1 ATOM 1948 O O . GLU 248 248 ? A 25.176 -12.732 -61.913 1.000 1 A 39.160 1 ATOM 1949 C CB . GLU 248 248 ? A 23.734 -10.136 -60.950 1.000 1 A 39.160 1 ATOM 1950 C CG . GLU 248 248 ? A 23.263 -8.987 -60.071 1.000 1 A 39.160 1 ATOM 1951 C CD . GLU 248 248 ? A 22.945 -7.723 -60.854 1.000 1 A 39.160 1 ATOM 1952 O OE1 . GLU 248 248 ? A 22.628 -6.686 -60.230 1.000 1 A 39.160 1 ATOM 1953 O OE2 . GLU 248 248 ? A 23.013 -7.772 -62.103 1.000 1 A 39.160 1 ATOM 1954 N N . TYR 249 249 ? A 23.461 -13.555 -60.668 1.000 1 A 35.590 1 ATOM 1955 C CA . TYR 249 249 ? A 22.255 -14.262 -61.087 1.000 1 A 35.590 1 ATOM 1956 C C . TYR 249 249 ? A 22.571 -15.281 -62.176 1.000 1 A 35.590 1 ATOM 1957 O O . TYR 249 249 ? A 23.322 -14.989 -63.109 1.000 1 A 35.590 1 ATOM 1958 C CB . TYR 249 249 ? A 21.199 -13.272 -61.589 1.000 1 A 35.590 1 ATOM 1959 C CG . TYR 249 249 ? A 20.562 -12.456 -60.492 1.000 1 A 35.590 1 ATOM 1960 C CD1 . TYR 249 249 ? A 19.486 -12.955 -59.760 1.000 1 A 35.590 1 ATOM 1961 C CD2 . TYR 249 249 ? A 21.033 -11.184 -60.184 1.000 1 A 35.590 1 ATOM 1962 C CE1 . TYR 249 249 ? A 18.894 -12.206 -58.749 1.000 1 A 35.590 1 ATOM 1963 C CE2 . TYR 249 249 ? A 20.448 -10.426 -59.175 1.000 1 A 35.590 1 ATOM 1964 C CZ . TYR 249 249 ? A 19.382 -10.944 -58.464 1.000 1 A 35.590 1 ATOM 1965 O OH . TYR 249 249 ? A 18.800 -10.198 -57.464 1.000 1 A 35.590 1 ATOM 1966 N N . LEU 250 250 ? A 22.189 -16.572 -61.928 1.000 1 A 45.160 1 ATOM 1967 C CA . LEU 250 250 ? A 21.294 -17.378 -62.751 1.000 1 A 45.160 1 ATOM 1968 C C . LEU 250 250 ? A 21.895 -18.753 -63.021 1.000 1 A 45.160 1 ATOM 1969 O O . LEU 250 250 ? A 23.043 -18.859 -63.458 1.000 1 A 45.160 1 ATOM 1970 C CB . LEU 250 250 ? A 20.998 -16.668 -64.075 1.000 1 A 45.160 1 ATOM 1971 C CG . LEU 250 250 ? A 19.911 -15.594 -64.040 1.000 1 A 45.160 1 ATOM 1972 C CD1 . LEU 250 250 ? A 20.134 -14.577 -65.155 1.000 1 A 45.160 1 ATOM 1973 C CD2 . LEU 250 250 ? A 18.528 -16.227 -64.156 1.000 1 A 45.160 1 ATOM 1974 N N . SER 251 251 ? A 21.214 -19.824 -62.563 1.000 1 A 40.520 1 ATOM 1975 C CA . SER 251 251 ? A 20.700 -20.679 -63.629 1.000 1 A 40.520 1 ATOM 1976 C C . SER 251 251 ? A 20.611 -22.133 -63.178 1.000 1 A 40.520 1 ATOM 1977 O O . SER 251 251 ? A 21.605 -22.713 -62.736 1.000 1 A 40.520 1 ATOM 1978 C CB . SER 251 251 ? A 21.585 -20.575 -64.872 1.000 1 A 40.520 1 ATOM 1979 O OG . SER 251 251 ? A 20.802 -20.635 -66.052 1.000 1 A 40.520 1 ATOM 1980 N N . SER 252 252 ? A 19.268 -22.643 -62.950 1.000 1 A 43.580 1 ATOM 1981 C CA . SER 252 252 ? A 18.318 -23.413 -63.747 1.000 1 A 43.580 1 ATOM 1982 C C . SER 252 252 ? A 18.770 -24.862 -63.899 1.000 1 A 43.580 1 ATOM 1983 O O . SER 252 252 ? A 19.924 -25.124 -64.243 1.000 1 A 43.580 1 ATOM 1984 C CB . SER 252 252 ? A 18.136 -22.779 -65.126 1.000 1 A 43.580 1 ATOM 1985 O OG . SER 252 252 ? A 17.994 -21.373 -65.019 1.000 1 A 43.580 1 ATOM 1986 N N . SER 253 253 ? A 17.881 -25.820 -63.355 1.000 1 A 44.010 1 ATOM 1987 C CA . SER 253 253 ? A 16.962 -26.788 -63.944 1.000 1 A 44.010 1 ATOM 1988 C C . SER 253 253 ? A 17.565 -28.189 -63.952 1.000 1 A 44.010 1 ATOM 1989 O O . SER 253 253 ? A 18.705 -28.377 -64.381 1.000 1 A 44.010 1 ATOM 1990 C CB . SER 253 253 ? A 16.590 -26.376 -65.369 1.000 1 A 44.010 1 ATOM 1991 O OG . SER 253 253 ? A 17.746 -26.289 -66.185 1.000 1 A 44.010 1 ATOM 1992 N N . LEU 254 254 ? A 16.891 -29.125 -63.213 1.000 1 A 48.680 1 ATOM 1993 C CA . LEU 254 254 ? A 15.984 -30.174 -63.665 1.000 1 A 48.680 1 ATOM 1994 C C . LEU 254 254 ? A 16.208 -31.462 -62.878 1.000 1 A 48.680 1 ATOM 1995 O O . LEU 254 254 ? A 17.351 -31.832 -62.598 1.000 1 A 48.680 1 ATOM 1996 C CB . LEU 254 254 ? A 16.172 -30.438 -65.161 1.000 1 A 48.680 1 ATOM 1997 C CG . LEU 254 254 ? A 15.581 -29.396 -66.112 1.000 1 A 48.680 1 ATOM 1998 C CD1 . LEU 254 254 ? A 16.261 -29.475 -67.475 1.000 1 A 48.680 1 ATOM 1999 C CD2 . LEU 254 254 ? A 14.075 -29.590 -66.249 1.000 1 A 48.680 1 ATOM 2000 N N . PRO 255 255 ? A 15.160 -32.582 -63.120 1.000 1 A 47.220 1 ATOM 2001 C CA . PRO 255 255 ? A 13.766 -32.984 -63.323 1.000 1 A 47.220 1 ATOM 2002 C C . PRO 255 255 ? A 13.454 -34.352 -62.721 1.000 1 A 47.220 1 ATOM 2003 O O . PRO 255 255 ? A 14.361 -35.162 -62.513 1.000 1 A 47.220 1 ATOM 2004 C CB . PRO 255 255 ? A 13.626 -33.014 -64.847 1.000 1 A 47.220 1 ATOM 2005 C CG . PRO 255 255 ? A 14.953 -33.490 -65.344 1.000 1 A 47.220 1 ATOM 2006 C CD . PRO 255 255 ? A 15.893 -33.584 -64.177 1.000 1 A 47.220 1 ATOM 2007 N N . TYR 256 256 ? A 12.154 -34.667 -62.198 1.000 1 A 44.910 1 ATOM 2008 C CA . TYR 256 256 ? A 10.885 -35.384 -62.218 1.000 1 A 44.910 1 ATOM 2009 C C . TYR 256 256 ? A 11.104 -36.886 -62.076 1.000 1 A 44.910 1 ATOM 2010 O O . TYR 256 256 ? A 11.972 -37.458 -62.739 1.000 1 A 44.910 1 ATOM 2011 C CB . TYR 256 256 ? A 10.121 -35.089 -63.513 1.000 1 A 44.910 1 ATOM 2012 C CG . TYR 256 256 ? A 8.953 -34.151 -63.328 1.000 1 A 44.910 1 ATOM 2013 C CD1 . TYR 256 256 ? A 7.682 -34.639 -63.032 1.000 1 A 44.910 1 ATOM 2014 C CD2 . TYR 256 256 ? A 9.118 -32.775 -63.450 1.000 1 A 44.910 1 ATOM 2015 C CE1 . TYR 256 256 ? A 6.603 -33.778 -62.863 1.000 1 A 44.910 1 ATOM 2016 C CE2 . TYR 256 256 ? A 8.045 -31.905 -63.283 1.000 1 A 44.910 1 ATOM 2017 C CZ . TYR 256 256 ? A 6.794 -32.415 -62.989 1.000 1 A 44.910 1 ATOM 2018 O OH . TYR 256 256 ? A 5.729 -31.558 -62.823 1.000 1 A 44.910 1 ATOM 2019 N N . GLN 257 257 ? A 10.401 -37.574 -61.103 1.000 1 A 49.730 1 ATOM 2020 C CA . GLN 257 257 ? A 9.297 -38.491 -61.365 1.000 1 A 49.730 1 ATOM 2021 C C . GLN 257 257 ? A 8.630 -38.935 -60.066 1.000 1 A 49.730 1 ATOM 2022 O O . GLN 257 257 ? A 9.312 -39.298 -59.105 1.000 1 A 49.730 1 ATOM 2023 C CB . GLN 257 257 ? A 9.787 -39.711 -62.147 1.000 1 A 49.730 1 ATOM 2024 C CG . GLN 257 257 ? A 9.463 -39.659 -63.634 1.000 1 A 49.730 1 ATOM 2025 C CD . GLN 257 257 ? A 9.465 -41.030 -64.284 1.000 1 A 49.730 1 ATOM 2026 O OE1 . GLN 257 257 ? A 9.562 -42.055 -63.602 1.000 1 A 49.730 1 ATOM 2027 N NE2 . GLN 257 257 ? A 9.358 -41.059 -65.608 1.000 1 A 49.730 1 ATOM 2028 N N . PRO 258 258 ? A 7.221 -39.279 -60.114 1.000 1 A 47.330 1 ATOM 2029 C CA . PRO 258 258 ? A 5.885 -39.457 -59.540 1.000 1 A 47.330 1 ATOM 2030 C C . PRO 258 258 ? A 5.511 -40.926 -59.359 1.000 1 A 47.330 1 ATOM 2031 O O . PRO 258 258 ? A 6.116 -41.802 -59.983 1.000 1 A 47.330 1 ATOM 2032 C CB . PRO 258 258 ? A 4.969 -38.783 -60.565 1.000 1 A 47.330 1 ATOM 2033 C CG . PRO 258 258 ? A 5.608 -39.058 -61.888 1.000 1 A 47.330 1 ATOM 2034 C CD . PRO 258 258 ? A 6.927 -39.735 -61.649 1.000 1 A 47.330 1 ATOM 2035 N N . SER 259 259 ? A 4.791 -41.378 -58.177 1.000 1 A 42.540 1 ATOM 2036 C CA . SER 259 259 ? A 3.494 -42.022 -57.995 1.000 1 A 42.540 1 ATOM 2037 C C . SER 259 259 ? A 3.549 -43.072 -56.891 1.000 1 A 42.540 1 ATOM 2038 O O . SER 259 259 ? A 4.475 -43.885 -56.845 1.000 1 A 42.540 1 ATOM 2039 C CB . SER 259 259 ? A 3.026 -42.666 -59.300 1.000 1 A 42.540 1 ATOM 2040 O OG . SER 259 259 ? A 2.842 -41.686 -60.307 1.000 1 A 42.540 1 ATOM 2041 N N . ASP 260 260 ? A 2.738 -42.979 -55.780 1.000 1 A 40.820 1 ATOM 2042 C CA . ASP 260 260 ? A 1.504 -43.624 -55.341 1.000 1 A 40.820 1 ATOM 2043 C C . ASP 260 260 ? A 1.777 -44.629 -54.224 1.000 1 A 40.820 1 ATOM 2044 O O . ASP 260 260 ? A 2.517 -45.595 -54.418 1.000 1 A 40.820 1 ATOM 2045 C CB . ASP 260 260 ? A 0.815 -44.320 -56.517 1.000 1 A 40.820 1 ATOM 2046 C CG . ASP 260 260 ? A 0.117 -43.349 -57.454 1.000 1 A 40.820 1 ATOM 2047 O OD1 . ASP 260 260 ? A -0.336 -42.279 -56.995 1.000 1 A 40.820 1 ATOM 2048 O OD2 . ASP 260 260 ? A 0.017 -43.660 -58.660 1.000 1 A 40.820 1 ATOM 2049 N N . ARG 261 261 ? A 1.462 -44.326 -52.926 1.000 1 A 46.540 1 ATOM 2050 C CA . ARG 261 261 ? A 0.688 -45.224 -52.074 1.000 1 A 46.540 1 ATOM 2051 C C . ARG 261 261 ? A 0.758 -44.789 -50.614 1.000 1 A 46.540 1 ATOM 2052 O O . ARG 261 261 ? A 1.843 -44.714 -50.034 1.000 1 A 46.540 1 ATOM 2053 C CB . ARG 261 261 ? A 1.188 -46.663 -52.216 1.000 1 A 46.540 1 ATOM 2054 C CG . ARG 261 261 ? A 0.538 -47.432 -53.356 1.000 1 A 46.540 1 ATOM 2055 C CD . ARG 261 261 ? A 0.752 -48.932 -53.219 1.000 1 A 46.540 1 ATOM 2056 N NE . ARG 261 261 ? A 0.517 -49.628 -54.482 1.000 1 A 46.540 1 ATOM 2057 C CZ . ARG 261 261 ? A 0.632 -50.941 -54.656 1.000 1 A 46.540 1 ATOM 2058 N NH1 . ARG 261 261 ? A 0.982 -51.731 -53.648 1.000 1 A 46.540 1 ATOM 2059 N NH2 . ARG 261 261 ? A 0.395 -51.470 -55.848 1.000 1 A 46.540 1 ATOM 2060 N N . TYR 262 262 ? A -0.165 -44.006 -50.057 1.000 1 A 48.380 1 ATOM 2061 C CA . TYR 262 262 ? A -1.198 -44.118 -49.034 1.000 1 A 48.380 1 ATOM 2062 C C . TYR 262 262 ? A -0.919 -43.173 -47.871 1.000 1 A 48.380 1 ATOM 2063 O O . TYR 262 262 ? A 0.236 -42.976 -47.486 1.000 1 A 48.380 1 ATOM 2064 C CB . TYR 262 262 ? A -1.295 -45.559 -48.523 1.000 1 A 48.380 1 ATOM 2065 C CG . TYR 262 262 ? A -2.163 -46.449 -49.378 1.000 1 A 48.380 1 ATOM 2066 C CD1 . TYR 262 262 ? A -3.541 -46.503 -49.186 1.000 1 A 48.380 1 ATOM 2067 C CD2 . TYR 262 262 ? A -1.607 -47.239 -50.379 1.000 1 A 48.380 1 ATOM 2068 C CE1 . TYR 262 262 ? A -4.345 -47.324 -49.971 1.000 1 A 48.380 1 ATOM 2069 C CE2 . TYR 262 262 ? A -2.401 -48.063 -51.170 1.000 1 A 48.380 1 ATOM 2070 C CZ . TYR 262 262 ? A -3.767 -48.098 -50.958 1.000 1 A 48.380 1 ATOM 2071 O OH . TYR 262 262 ? A -4.558 -48.912 -51.738 1.000 1 A 48.380 1 ATOM 2072 N N . PRO 263 263 ? A -2.018 -42.711 -47.248 1.000 1 A 43.310 1 ATOM 2073 C CA . PRO 263 263 ? A -2.480 -41.697 -46.297 1.000 1 A 43.310 1 ATOM 2074 C C . PRO 263 263 ? A -2.294 -42.123 -44.843 1.000 1 A 43.310 1 ATOM 2075 O O . PRO 263 263 ? A -2.462 -43.300 -44.514 1.000 1 A 43.310 1 ATOM 2076 C CB . PRO 263 263 ? A -3.965 -41.546 -46.637 1.000 1 A 43.310 1 ATOM 2077 C CG . PRO 263 263 ? A -4.405 -42.916 -47.042 1.000 1 A 43.310 1 ATOM 2078 C CD . PRO 263 263 ? A -3.196 -43.803 -47.113 1.000 1 A 43.310 1 ATOM 2079 N N . MET 264 264 ? A -1.165 -41.674 -44.055 1.000 1 A 50.820 1 ATOM 2080 C CA . MET 264 264 ? A -1.162 -41.970 -42.625 1.000 1 A 50.820 1 ATOM 2081 C C . MET 264 264 ? A -0.921 -40.704 -41.808 1.000 1 A 50.820 1 ATOM 2082 O O . MET 264 264 ? A -0.004 -39.936 -42.103 1.000 1 A 50.820 1 ATOM 2083 C CB . MET 264 264 ? A -0.098 -43.017 -42.294 1.000 1 A 50.820 1 ATOM 2084 C CG . MET 264 264 ? A -0.601 -44.449 -42.373 1.000 1 A 50.820 1 ATOM 2085 S SD . MET 264 264 ? A -1.706 -44.885 -40.974 1.000 1 A 50.820 1 ATOM 2086 C CE . MET 264 264 ? A -2.275 -46.521 -41.514 1.000 1 A 50.820 1 ATOM 2087 N N . ASP 265 265 ? A -1.931 -40.113 -41.194 1.000 1 A 53.450 1 ATOM 2088 C CA . ASP 265 265 ? A -2.552 -39.660 -39.952 1.000 1 A 53.450 1 ATOM 2089 C C . ASP 265 265 ? A -1.521 -39.025 -39.022 1.000 1 A 53.450 1 ATOM 2090 O O . ASP 265 265 ? A -0.458 -39.601 -38.779 1.000 1 A 53.450 1 ATOM 2091 C CB . ASP 265 265 ? A -3.250 -40.824 -39.246 1.000 1 A 53.450 1 ATOM 2092 C CG . ASP 265 265 ? A -4.483 -40.394 -38.470 1.000 1 A 53.450 1 ATOM 2093 O OD1 . ASP 265 265 ? A -4.652 -39.181 -38.218 1.000 1 A 53.450 1 ATOM 2094 O OD2 . ASP 265 265 ? A -5.290 -41.275 -38.105 1.000 1 A 53.450 1 ATOM 2095 N N . PRO 266 266 ? A -1.836 -37.765 -38.516 1.000 1 A 48.520 1 ATOM 2096 C CA . PRO 266 266 ? A -1.077 -37.010 -37.516 1.000 1 A 48.520 1 ATOM 2097 C C . PRO 266 266 ? A -1.430 -37.408 -36.085 1.000 1 A 48.520 1 ATOM 2098 O O . PRO 266 266 ? A -2.594 -37.324 -35.686 1.000 1 A 48.520 1 ATOM 2099 C CB . PRO 266 266 ? A -1.475 -35.559 -37.793 1.000 1 A 48.520 1 ATOM 2100 C CG . PRO 266 266 ? A -2.830 -35.647 -38.419 1.000 1 A 48.520 1 ATOM 2101 C CD . PRO 266 266 ? A -3.102 -37.082 -38.766 1.000 1 A 48.520 1 ATOM 2102 N N . ARG 267 267 ? A -1.216 -38.671 -35.679 1.000 1 A 41.320 1 ATOM 2103 C CA . ARG 267 267 ? A -1.335 -38.975 -34.257 1.000 1 A 41.320 1 ATOM 2104 C C . ARG 267 267 ? A -0.378 -40.092 -33.854 1.000 1 A 41.320 1 ATOM 2105 O O . ARG 267 267 ? A -0.623 -41.263 -34.149 1.000 1 A 41.320 1 ATOM 2106 C CB . ARG 267 267 ? A -2.773 -39.367 -33.909 1.000 1 A 41.320 1 ATOM 2107 C CG . ARG 267 267 ? A -3.757 -38.209 -33.962 1.000 1 A 41.320 1 ATOM 2108 C CD . ARG 267 267 ? A -5.040 -38.524 -33.207 1.000 1 A 41.320 1 ATOM 2109 N NE . ARG 267 267 ? A -5.813 -37.317 -32.930 1.000 1 A 41.320 1 ATOM 2110 C CZ . ARG 267 267 ? A -7.121 -37.293 -32.686 1.000 1 A 41.320 1 ATOM 2111 N NH1 . ARG 267 267 ? A -7.830 -38.416 -32.680 1.000 1 A 41.320 1 ATOM 2112 N NH2 . ARG 267 267 ? A -7.724 -36.138 -32.446 1.000 1 A 41.320 1 ATOM 2113 N N . LEU 268 268 ? A 1.016 -39.784 -33.889 1.000 1 A 43.290 1 ATOM 2114 C CA . LEU 268 268 ? A 1.884 -40.567 -33.017 1.000 1 A 43.290 1 ATOM 2115 C C . LEU 268 268 ? A 3.317 -40.048 -33.068 1.000 1 A 43.290 1 ATOM 2116 O O . LEU 268 268 ? A 4.118 -40.503 -33.887 1.000 1 A 43.290 1 ATOM 2117 C CB . LEU 268 268 ? A 1.850 -42.045 -33.415 1.000 1 A 43.290 1 ATOM 2118 C CG . LEU 268 268 ? A 0.674 -42.864 -32.881 1.000 1 A 43.290 1 ATOM 2119 C CD1 . LEU 268 268 ? A 0.582 -44.200 -33.612 1.000 1 A 43.290 1 ATOM 2120 C CD2 . LEU 268 268 ? A 0.811 -43.081 -31.378 1.000 1 A 43.290 1 ATOM 2121 N N . LEU 269 269 ? A 3.661 -38.833 -32.548 1.000 1 A 49.660 1 ATOM 2122 C CA . LEU 269 269 ? A 5.043 -38.630 -32.126 1.000 1 A 49.660 1 ATOM 2123 C C . LEU 269 269 ? A 5.106 -38.183 -30.669 1.000 1 A 49.660 1 ATOM 2124 O O . LEU 269 269 ? A 4.778 -37.038 -30.352 1.000 1 A 49.660 1 ATOM 2125 C CB . LEU 269 269 ? A 5.730 -37.595 -33.020 1.000 1 A 49.660 1 ATOM 2126 C CG . LEU 269 269 ? A 6.565 -38.146 -34.177 1.000 1 A 49.660 1 ATOM 2127 C CD1 . LEU 269 269 ? A 5.879 -37.860 -35.509 1.000 1 A 49.660 1 ATOM 2128 C CD2 . LEU 269 269 ? A 7.969 -37.550 -34.155 1.000 1 A 49.660 1 ATOM 2129 N N . SER 270 270 ? A 4.592 -39.029 -29.666 1.000 1 A 43.570 1 ATOM 2130 C CA . SER 270 270 ? A 5.108 -39.117 -28.303 1.000 1 A 43.570 1 ATOM 2131 C C . SER 270 270 ? A 5.725 -40.485 -28.034 1.000 1 A 43.570 1 ATOM 2132 O O . SER 270 270 ? A 5.094 -41.516 -28.277 1.000 1 A 43.570 1 ATOM 2133 C CB . SER 270 270 ? A 3.996 -38.842 -27.290 1.000 1 A 43.570 1 ATOM 2134 O OG . SER 270 270 ? A 2.786 -39.462 -27.690 1.000 1 A 43.570 1 ATOM 2135 N N . LEU 271 271 ? A 7.088 -40.521 -28.083 1.000 1 A 46.940 1 ATOM 2136 C CA . LEU 271 271 ? A 7.874 -41.121 -27.010 1.000 1 A 46.940 1 ATOM 2137 C C . LEU 271 271 ? A 8.990 -41.993 -27.575 1.000 1 A 46.940 1 ATOM 2138 O O . LEU 271 271 ? A 8.727 -42.940 -28.319 1.000 1 A 46.940 1 ATOM 2139 C CB . LEU 271 271 ? A 6.977 -41.953 -26.089 1.000 1 A 46.940 1 ATOM 2140 C CG . LEU 271 271 ? A 7.096 -41.671 -24.591 1.000 1 A 46.940 1 ATOM 2141 C CD1 . LEU 271 271 ? A 6.355 -40.388 -24.232 1.000 1 A 46.940 1 ATOM 2142 C CD2 . LEU 271 271 ? A 6.562 -42.848 -23.781 1.000 1 A 46.940 1 ATOM 2143 N N . GLN 272 272 ? A 10.322 -41.415 -27.592 1.000 1 A 47.030 1 ATOM 2144 C CA . GLN 272 272 ? A 11.408 -42.104 -26.902 1.000 1 A 47.030 1 ATOM 2145 C C . GLN 272 272 ? A 12.637 -42.228 -27.797 1.000 1 A 47.030 1 ATOM 2146 O O . GLN 272 272 ? A 12.548 -42.742 -28.914 1.000 1 A 47.030 1 ATOM 2147 C CB . GLN 272 272 ? A 10.956 -43.488 -26.435 1.000 1 A 47.030 1 ATOM 2148 C CG . GLN 272 272 ? A 11.177 -43.739 -24.949 1.000 1 A 47.030 1 ATOM 2149 C CD . GLN 272 272 ? A 10.636 -45.082 -24.494 1.000 1 A 47.030 1 ATOM 2150 O OE1 . GLN 272 272 ? A 9.984 -45.796 -25.262 1.000 1 A 47.030 1 ATOM 2151 N NE2 . GLN 272 272 ? A 10.903 -45.434 -23.241 1.000 1 A 47.030 1 ATOM 2152 N N . HIS 273 273 ? A 13.786 -41.496 -27.415 1.000 1 A 45.090 1 ATOM 2153 C CA . HIS 273 273 ? A 15.038 -42.017 -26.877 1.000 1 A 45.090 1 ATOM 2154 C C . HIS 273 273 ? A 16.241 -41.364 -27.551 1.000 1 A 45.090 1 ATOM 2155 O O . HIS 273 273 ? A 16.333 -41.341 -28.780 1.000 1 A 45.090 1 ATOM 2156 C CB . HIS 273 273 ? A 15.102 -43.536 -27.046 1.000 1 A 45.090 1 ATOM 2157 C CG . HIS 273 273 ? A 14.401 -44.290 -25.961 1.000 1 A 45.090 1 ATOM 2158 N ND1 . HIS 273 273 ? A 15.076 -45.007 -24.997 1.000 1 A 45.090 1 ATOM 2159 C CD2 . HIS 273 273 ? A 13.083 -44.435 -25.688 1.000 1 A 45.090 1 ATOM 2160 C CE1 . HIS 273 273 ? A 14.200 -45.562 -24.176 1.000 1 A 45.090 1 ATOM 2161 N NE2 . HIS 273 273 ? A 12.984 -45.231 -24.574 1.000 1 A 45.090 1 ATOM 2162 N N . LYS 274 274 ? A 17.071 -40.636 -26.751 1.000 1 A 44.220 1 ATOM 2163 C CA . LYS 274 274 ? A 18.301 -40.775 -25.977 1.000 1 A 44.220 1 ATOM 2164 C C . LYS 274 274 ? A 19.531 -40.668 -26.875 1.000 1 A 44.220 1 ATOM 2165 O O . LYS 274 274 ? A 19.647 -41.394 -27.865 1.000 1 A 44.220 1 ATOM 2166 C CB . LYS 274 274 ? A 18.316 -42.107 -25.225 1.000 1 A 44.220 1 ATOM 2167 C CG . LYS 274 274 ? A 17.891 -41.999 -23.768 1.000 1 A 44.220 1 ATOM 2168 C CD . LYS 274 274 ? A 17.808 -43.369 -23.107 1.000 1 A 44.220 1 ATOM 2169 C CE . LYS 274 274 ? A 17.678 -43.255 -21.594 1.000 1 A 44.220 1 ATOM 2170 N NZ . LYS 274 274 ? A 17.585 -44.595 -20.943 1.000 1 A 44.220 1 ATOM 2171 N N . ASP 275 275 ? A 20.381 -39.573 -26.607 1.000 1 A 45.790 1 ATOM 2172 C CA . ASP 275 275 ? A 21.777 -39.773 -26.229 1.000 1 A 45.790 1 ATOM 2173 C C . ASP 275 275 ? A 22.561 -38.466 -26.316 1.000 1 A 45.790 1 ATOM 2174 O O . ASP 275 275 ? A 22.636 -37.850 -27.382 1.000 1 A 45.790 1 ATOM 2175 C CB . ASP 275 275 ? A 22.426 -40.836 -27.116 1.000 1 A 45.790 1 ATOM 2176 C CG . ASP 275 275 ? A 22.038 -42.252 -26.726 1.000 1 A 45.790 1 ATOM 2177 O OD1 . ASP 275 275 ? A 21.702 -42.489 -25.546 1.000 1 A 45.790 1 ATOM 2178 O OD2 . ASP 275 275 ? A 22.071 -43.139 -27.607 1.000 1 A 45.790 1 ATOM 2179 N N . SER 276 276 ? A 23.097 -37.873 -25.147 1.000 1 A 45.670 1 ATOM 2180 C CA . SER 276 276 ? A 24.302 -37.821 -24.325 1.000 1 A 45.670 1 ATOM 2181 C C . SER 276 276 ? A 25.325 -36.849 -24.903 1.000 1 A 45.670 1 ATOM 2182 O O . SER 276 276 ? A 25.683 -36.943 -26.079 1.000 1 A 45.670 1 ATOM 2183 C CB . SER 276 276 ? A 24.925 -39.212 -24.198 1.000 1 A 45.670 1 ATOM 2184 O OG . SER 276 276 ? A 24.007 -40.123 -23.619 1.000 1 A 45.670 1 ATOM 2185 N N . LEU 277 277 ? A 25.622 -35.650 -24.107 1.000 1 A 52.190 1 ATOM 2186 C CA . LEU 277 277 ? A 26.887 -35.406 -23.423 1.000 1 A 52.190 1 ATOM 2187 C C . LEU 277 277 ? A 27.087 -33.917 -23.165 1.000 1 A 52.190 1 ATOM 2188 O O . LEU 277 277 ? A 27.084 -33.115 -24.102 1.000 1 A 52.190 1 ATOM 2189 C CB . LEU 277 277 ? A 28.056 -35.956 -24.244 1.000 1 A 52.190 1 ATOM 2190 C CG . LEU 277 277 ? A 28.159 -37.479 -24.342 1.000 1 A 52.190 1 ATOM 2191 C CD1 . LEU 277 277 ? A 29.230 -37.874 -25.353 1.000 1 A 52.190 1 ATOM 2192 C CD2 . LEU 277 277 ? A 28.458 -38.084 -22.974 1.000 1 A 52.190 1 ATOM 2193 N N . ARG 278 278 ? A 26.959 -33.354 -21.876 1.000 1 A 47.220 1 ATOM 2194 C CA . ARG 278 278 ? A 27.915 -33.023 -20.824 1.000 1 A 47.220 1 ATOM 2195 C C . ARG 278 278 ? A 28.154 -31.519 -20.754 1.000 1 A 47.220 1 ATOM 2196 O O . ARG 278 278 ? A 28.579 -30.906 -21.735 1.000 1 A 47.220 1 ATOM 2197 C CB . ARG 278 278 ? A 29.240 -33.754 -21.051 1.000 1 A 47.220 1 ATOM 2198 C CG . ARG 278 278 ? A 29.619 -34.707 -19.929 1.000 1 A 47.220 1 ATOM 2199 C CD . ARG 278 278 ? A 31.025 -35.262 -20.111 1.000 1 A 47.220 1 ATOM 2200 N NE . ARG 278 278 ? A 31.372 -36.208 -19.054 1.000 1 A 47.220 1 ATOM 2201 C CZ . ARG 278 278 ? A 32.591 -36.696 -18.844 1.000 1 A 47.220 1 ATOM 2202 N NH1 . ARG 278 278 ? A 33.609 -36.334 -19.616 1.000 1 A 47.220 1 ATOM 2203 N NH2 . ARG 278 278 ? A 32.795 -37.552 -17.853 1.000 1 A 47.220 1 ATOM 2204 N N . GLY 279 279 ? A 27.686 -30.794 -19.703 1.000 1 A 50.650 1 ATOM 2205 C CA . GLY 279 279 ? A 28.219 -30.286 -18.449 1.000 1 A 50.650 1 ATOM 2206 C C . GLY 279 279 ? A 27.902 -28.821 -18.216 1.000 1 A 50.650 1 ATOM 2207 O O . GLY 279 279 ? A 28.063 -27.995 -19.116 1.000 1 A 50.650 1 ATOM 2208 N N . ARG 280 280 ? A 27.165 -28.390 -17.110 1.000 1 A 52.260 1 ATOM 2209 C CA . ARG 280 280 ? A 27.401 -27.875 -15.765 1.000 1 A 52.260 1 ATOM 2210 C C . ARG 280 280 ? A 26.912 -26.436 -15.636 1.000 1 A 52.260 1 ATOM 2211 O O . ARG 280 280 ? A 27.336 -25.561 -16.394 1.000 1 A 52.260 1 ATOM 2212 C CB . ARG 280 280 ? A 28.887 -27.957 -15.411 1.000 1 A 52.260 1 ATOM 2213 C CG . ARG 280 280 ? A 29.179 -28.774 -14.162 1.000 1 A 52.260 1 ATOM 2214 C CD . ARG 280 280 ? A 30.576 -28.501 -13.623 1.000 1 A 52.260 1 ATOM 2215 N NE . ARG 280 280 ? A 31.505 -29.574 -13.967 1.000 1 A 52.260 1 ATOM 2216 C CZ . ARG 280 280 ? A 32.300 -30.195 -13.100 1.000 1 A 52.260 1 ATOM 2217 N NH1 . ARG 280 280 ? A 32.294 -29.860 -11.814 1.000 1 A 52.260 1 ATOM 2218 N NH2 . ARG 280 280 ? A 33.107 -31.158 -13.520 1.000 1 A 52.260 1 ATOM 2219 N N . TYR 281 281 ? A 25.793 -26.137 -14.813 1.000 1 A 48.290 1 ATOM 2220 C CA . TYR 281 281 ? A 25.497 -25.601 -13.489 1.000 1 A 48.290 1 ATOM 2221 C C . TYR 281 281 ? A 24.203 -24.796 -13.503 1.000 1 A 48.290 1 ATOM 2222 O O . TYR 281 281 ? A 24.002 -23.948 -14.377 1.000 1 A 48.290 1 ATOM 2223 C CB . TYR 281 281 ? A 26.651 -24.725 -12.993 1.000 1 A 48.290 1 ATOM 2224 C CG . TYR 281 281 ? A 27.444 -25.346 -11.868 1.000 1 A 48.290 1 ATOM 2225 C CD1 . TYR 281 281 ? A 27.109 -25.103 -10.537 1.000 1 A 48.290 1 ATOM 2226 C CD2 . TYR 281 281 ? A 28.528 -26.175 -12.132 1.000 1 A 48.290 1 ATOM 2227 C CE1 . TYR 281 281 ? A 27.838 -25.671 -9.497 1.000 1 A 48.290 1 ATOM 2228 C CE2 . TYR 281 281 ? A 29.264 -26.748 -11.100 1.000 1 A 48.290 1 ATOM 2229 C CZ . TYR 281 281 ? A 28.911 -26.491 -9.788 1.000 1 A 48.290 1 ATOM 2230 O OH . TYR 281 281 ? A 29.636 -27.056 -8.763 1.000 1 A 48.290 1 ATOM 2231 N N . PRO 282 282 ? A 23.389 -24.842 -12.273 1.000 1 A 46.680 1 ATOM 2232 C CA . PRO 282 282 ? A 22.026 -24.610 -11.790 1.000 1 A 46.680 1 ATOM 2233 C C . PRO 282 282 ? A 21.917 -23.373 -10.901 1.000 1 A 46.680 1 ATOM 2234 O O . PRO 282 282 ? A 22.822 -23.096 -10.109 1.000 1 A 46.680 1 ATOM 2235 C CB . PRO 282 282 ? A 21.712 -25.882 -10.997 1.000 1 A 46.680 1 ATOM 2236 C CG . PRO 282 282 ? A 23.015 -26.283 -10.386 1.000 1 A 46.680 1 ATOM 2237 C CD . PRO 282 282 ? A 24.088 -25.374 -10.913 1.000 1 A 46.680 1 ATOM 2238 N N . GLY 283 283 ? A 21.155 -22.299 -11.362 1.000 1 A 51.980 1 ATOM 2239 C CA . GLY 283 283 ? A 20.434 -21.501 -10.384 1.000 1 A 51.980 1 ATOM 2240 C C . GLY 283 283 ? A 19.804 -20.255 -10.978 1.000 1 A 51.980 1 ATOM 2241 O O . GLY 283 283 ? A 20.451 -19.524 -11.730 1.000 1 A 51.980 1 ATOM 2242 N N . TYR 284 284 ? A 18.464 -20.260 -11.190 1.000 1 A 43.460 1 ATOM 2243 C CA . TYR 284 284 ? A 17.269 -19.596 -10.684 1.000 1 A 43.460 1 ATOM 2244 C C . TYR 284 284 ? A 16.879 -18.421 -11.573 1.000 1 A 43.460 1 ATOM 2245 O O . TYR 284 284 ? A 17.652 -17.473 -11.732 1.000 1 A 43.460 1 ATOM 2246 C CB . TYR 284 284 ? A 17.490 -19.113 -9.247 1.000 1 A 43.460 1 ATOM 2247 C CG . TYR 284 284 ? A 17.250 -20.178 -8.205 1.000 1 A 43.460 1 ATOM 2248 C CD1 . TYR 284 284 ? A 15.971 -20.422 -7.711 1.000 1 A 43.460 1 ATOM 2249 C CD2 . TYR 284 284 ? A 18.302 -20.942 -7.711 1.000 1 A 43.460 1 ATOM 2250 C CE1 . TYR 284 284 ? A 15.745 -21.401 -6.749 1.000 1 A 43.460 1 ATOM 2251 C CE2 . TYR 284 284 ? A 18.089 -21.924 -6.750 1.000 1 A 43.460 1 ATOM 2252 C CZ . TYR 284 284 ? A 16.809 -22.146 -6.276 1.000 1 A 43.460 1 ATOM 2253 O OH . TYR 284 284 ? A 16.592 -23.117 -5.324 1.000 1 A 43.460 1 ATOM 2254 N N . ALA 285 285 ? A 15.932 -18.669 -12.521 1.000 1 A 53.310 1 ATOM 2255 C CA . ALA 285 285 ? A 14.935 -17.617 -12.705 1.000 1 A 53.310 1 ATOM 2256 C C . ALA 285 285 ? A 13.651 -18.177 -13.310 1.000 1 A 53.310 1 ATOM 2257 O O . ALA 285 285 ? A 13.695 -18.948 -14.271 1.000 1 A 53.310 1 ATOM 2258 C CB . ALA 285 285 ? A 15.494 -16.503 -13.589 1.000 1 A 53.310 1 ATOM 2259 N N . PRO 286 286 ? A 12.442 -18.032 -12.552 1.000 1 A 57.570 1 ATOM 2260 C CA . PRO 286 286 ? A 11.096 -18.452 -12.950 1.000 1 A 57.570 1 ATOM 2261 C C . PRO 286 286 ? A 10.514 -17.587 -14.066 1.000 1 A 57.570 1 ATOM 2262 O O . PRO 286 286 ? A 10.717 -16.370 -14.078 1.000 1 A 57.570 1 ATOM 2263 C CB . PRO 286 286 ? A 10.284 -18.301 -11.662 1.000 1 A 57.570 1 ATOM 2264 C CG . PRO 286 286 ? A 11.033 -17.291 -10.854 1.000 1 A 57.570 1 ATOM 2265 C CD . PRO 286 286 ? A 12.368 -17.059 -11.500 1.000 1 A 57.570 1 ATOM 2266 N N . ARG 287 287 ? A 10.228 -18.223 -15.234 1.000 1 A 67.030 1 ATOM 2267 C CA . ARG 287 287 ? A 9.459 -17.947 -16.443 1.000 1 A 67.030 1 ATOM 2268 C C . ARG 287 287 ? A 8.006 -17.631 -16.107 1.000 1 A 67.030 1 ATOM 2269 O O . ARG 287 287 ? A 7.437 -18.212 -15.180 1.000 1 A 67.030 1 ATOM 2270 C CB . ARG 287 287 ? A 9.529 -19.132 -17.408 1.000 1 A 67.030 1 ATOM 2271 C CG . ARG 287 287 ? A 10.835 -19.221 -18.182 1.000 1 A 67.030 1 ATOM 2272 C CD . ARG 287 287 ? A 10.768 -20.272 -19.281 1.000 1 A 67.030 1 ATOM 2273 N NE . ARG 287 287 ? A 12.098 -20.625 -19.770 1.000 1 A 67.030 1 ATOM 2274 C CZ . ARG 287 287 ? A 12.560 -20.339 -20.984 1.000 1 A 67.030 1 ATOM 2275 N NH1 . ARG 287 287 ? A 11.805 -19.687 -21.861 1.000 1 A 67.030 1 ATOM 2276 N NH2 . ARG 287 287 ? A 13.786 -20.708 -21.325 1.000 1 A 67.030 1 ATOM 2277 N N . PRO 288 288 ? A 7.426 -16.676 -16.879 1.000 1 A 47.710 1 ATOM 2278 C CA . PRO 288 288 ? A 6.229 -15.864 -17.110 1.000 1 A 47.710 1 ATOM 2279 C C . PRO 288 288 ? A 5.037 -16.692 -17.585 1.000 1 A 47.710 1 ATOM 2280 O O . PRO 288 288 ? A 5.213 -17.670 -18.316 1.000 1 A 47.710 1 ATOM 2281 C CB . PRO 288 288 ? A 6.675 -14.877 -18.192 1.000 1 A 47.710 1 ATOM 2282 C CG . PRO 288 288 ? A 7.657 -15.638 -19.022 1.000 1 A 47.710 1 ATOM 2283 C CD . PRO 288 288 ? A 7.951 -16.942 -18.337 1.000 1 A 47.710 1 ATOM 2284 N N . HIS 289 289 ? A 3.967 -16.699 -16.737 1.000 1 A 49.620 1 ATOM 2285 C CA . HIS 289 289 ? A 2.616 -17.173 -17.013 1.000 1 A 49.620 1 ATOM 2286 C C . HIS 289 289 ? A 1.995 -16.419 -18.184 1.000 1 A 49.620 1 ATOM 2287 O O . HIS 289 289 ? A 2.132 -15.197 -18.283 1.000 1 A 49.620 1 ATOM 2288 C CB . HIS 289 289 ? A 1.734 -17.033 -15.771 1.000 1 A 49.620 1 ATOM 2289 C CG . HIS 289 289 ? A 2.266 -17.753 -14.573 1.000 1 A 49.620 1 ATOM 2290 N ND1 . HIS 289 289 ? A 2.079 -19.104 -14.374 1.000 1 A 49.620 1 ATOM 2291 C CD2 . HIS 289 289 ? A 2.982 -17.309 -13.513 1.000 1 A 49.620 1 ATOM 2292 C CE1 . HIS 289 289 ? A 2.658 -19.459 -13.239 1.000 1 A 49.620 1 ATOM 2293 N NE2 . HIS 289 289 ? A 3.213 -18.389 -12.698 1.000 1 A 49.620 1 ATOM 2294 N N . PRO 290 290 ? A 1.350 -17.313 -19.098 1.000 1 A 52.380 1 ATOM 2295 C CA . PRO 290 290 ? A 0.094 -16.753 -19.600 1.000 1 A 52.380 1 ATOM 2296 C C . PRO 290 290 ? A -0.977 -17.817 -19.830 1.000 1 A 52.380 1 ATOM 2297 O O . PRO 290 290 ? A -0.654 -18.991 -20.026 1.000 1 A 52.380 1 ATOM 2298 C CB . PRO 290 290 ? A 0.503 -16.095 -20.920 1.000 1 A 52.380 1 ATOM 2299 C CG . PRO 290 290 ? A 1.582 -16.974 -21.466 1.000 1 A 52.380 1 ATOM 2300 C CD . PRO 290 290 ? A 1.931 -18.002 -20.428 1.000 1 A 52.380 1 ATOM 2301 N N . ARG 291 291 ? A -2.202 -17.451 -19.476 1.000 1 A 52.560 1 ATOM 2302 C CA . ARG 291 291 ? A -3.585 -17.210 -19.877 1.000 1 A 52.560 1 ATOM 2303 C C . ARG 291 291 ? A -4.216 -18.473 -20.454 1.000 1 A 52.560 1 ATOM 2304 O O . ARG 291 291 ? A -3.678 -19.071 -21.389 1.000 1 A 52.560 1 ATOM 2305 C CB . ARG 291 291 ? A -3.658 -16.074 -20.900 1.000 1 A 52.560 1 ATOM 2306 C CG . ARG 291 291 ? A -4.495 -14.889 -20.445 1.000 1 A 52.560 1 ATOM 2307 C CD . ARG 291 291 ? A -4.574 -13.810 -21.516 1.000 1 A 52.560 1 ATOM 2308 N NE . ARG 291 291 ? A -5.277 -12.624 -21.035 1.000 1 A 52.560 1 ATOM 2309 C CZ . ARG 291 291 ? A -5.780 -11.673 -21.817 1.000 1 A 52.560 1 ATOM 2310 N NH1 . ARG 291 291 ? A -5.667 -11.750 -23.138 1.000 1 A 52.560 1 ATOM 2311 N NH2 . ARG 291 291 ? A -6.401 -10.636 -21.274 1.000 1 A 52.560 1 ATOM 2312 N N . GLY 292 292 ? A -5.262 -19.077 -19.775 1.000 1 A 50.560 1 ATOM 2313 C CA . GLY 292 292 ? A -6.668 -19.189 -20.129 1.000 1 A 50.560 1 ATOM 2314 C C . GLY 292 292 ? A -7.139 -20.625 -20.255 1.000 1 A 50.560 1 ATOM 2315 O O . GLY 292 292 ? A -6.471 -21.450 -20.882 1.000 1 A 50.560 1 ATOM 2316 N N . GLY 293 293 ? A -8.156 -21.061 -19.482 1.000 1 A 58.050 1 ATOM 2317 C CA . GLY 293 293 ? A -9.502 -21.441 -19.882 1.000 1 A 58.050 1 ATOM 2318 C C . GLY 293 293 ? A -9.917 -22.804 -19.361 1.000 1 A 58.050 1 ATOM 2319 O O . GLY 293 293 ? A -9.143 -23.762 -19.429 1.000 1 A 58.050 1 ATOM 2320 N N . GLN 294 294 ? A -10.905 -22.920 -18.510 1.000 1 A 43.610 1 ATOM 2321 C CA . GLN 294 294 ? A -12.292 -23.286 -18.240 1.000 1 A 43.610 1 ATOM 2322 C C . GLN 294 294 ? A -12.471 -24.802 -18.245 1.000 1 A 43.610 1 ATOM 2323 O O . GLN 294 294 ? A -12.092 -25.473 -19.207 1.000 1 A 43.610 1 ATOM 2324 C CB . GLN 294 294 ? A -13.227 -22.643 -19.265 1.000 1 A 43.610 1 ATOM 2325 C CG . GLN 294 294 ? A -13.620 -21.212 -18.926 1.000 1 A 43.610 1 ATOM 2326 C CD . GLN 294 294 ? A -14.309 -20.504 -20.078 1.000 1 A 43.610 1 ATOM 2327 O OE1 . GLN 294 294 ? A -14.916 -21.143 -20.943 1.000 1 A 43.610 1 ATOM 2328 N NE2 . GLN 294 294 ? A -14.219 -19.178 -20.098 1.000 1 A 43.610 1 ATOM 2329 N N . TYR 295 295 ? A -12.712 -25.454 -17.061 1.000 1 A 47.170 1 ATOM 2330 C CA . TYR 295 295 ? A -13.842 -26.354 -16.854 1.000 1 A 47.170 1 ATOM 2331 C C . TYR 295 295 ? A -13.965 -26.746 -15.386 1.000 1 A 47.170 1 ATOM 2332 O O . TYR 295 295 ? A -12.957 -26.961 -14.708 1.000 1 A 47.170 1 ATOM 2333 C CB . TYR 295 295 ? A -13.695 -27.609 -17.719 1.000 1 A 47.170 1 ATOM 2334 C CG . TYR 295 295 ? A -14.394 -27.512 -19.054 1.000 1 A 47.170 1 ATOM 2335 C CD1 . TYR 295 295 ? A -15.727 -27.894 -19.193 1.000 1 A 47.170 1 ATOM 2336 C CD2 . TYR 295 295 ? A -13.724 -27.038 -20.177 1.000 1 A 47.170 1 ATOM 2337 C CE1 . TYR 295 295 ? A -16.374 -27.808 -20.421 1.000 1 A 47.170 1 ATOM 2338 C CE2 . TYR 295 295 ? A -14.362 -26.948 -21.409 1.000 1 A 47.170 1 ATOM 2339 C CZ . TYR 295 295 ? A -15.685 -27.334 -21.522 1.000 1 A 47.170 1 ATOM 2340 O OH . TYR 295 295 ? A -16.322 -27.246 -22.739 1.000 1 A 47.170 1 ATOM 2341 N N . PRO 296 296 ? A -15.241 -26.973 -14.999 1.000 1 A 45.290 1 ATOM 2342 C CA . PRO 296 296 ? A -16.189 -27.005 -13.883 1.000 1 A 45.290 1 ATOM 2343 C C . PRO 296 296 ? A -16.206 -28.351 -13.162 1.000 1 A 45.290 1 ATOM 2344 O O . PRO 296 296 ? A -15.916 -29.385 -13.769 1.000 1 A 45.290 1 ATOM 2345 C CB . PRO 296 296 ? A -17.536 -26.729 -14.556 1.000 1 A 45.290 1 ATOM 2346 C CG . PRO 296 296 ? A -17.437 -27.388 -15.894 1.000 1 A 45.290 1 ATOM 2347 C CD . PRO 296 296 ? A -16.033 -27.890 -16.076 1.000 1 A 45.290 1 ATOM 2348 N N . GLY 297 297 ? A -15.823 -28.414 -11.862 1.000 1 A 43.870 1 ATOM 2349 C CA . GLY 297 297 ? A -16.568 -29.121 -10.833 1.000 1 A 43.870 1 ATOM 2350 C C . GLY 297 297 ? A -15.970 -30.470 -10.482 1.000 1 A 43.870 1 ATOM 2351 O O . GLY 297 297 ? A -15.703 -31.286 -11.367 1.000 1 A 43.870 1 ATOM 2352 N N . GLY 298 298 ? A -15.056 -30.483 -9.466 1.000 1 A 43.910 1 ATOM 2353 C CA . GLY 298 298 ? A -15.177 -31.586 -8.527 1.000 1 A 43.910 1 ATOM 2354 C C . GLY 298 298 ? A -13.915 -31.822 -7.719 1.000 1 A 43.910 1 ATOM 2355 O O . GLY 298 298 ? A -12.812 -31.840 -8.270 1.000 1 A 43.910 1 ATOM 2356 N N . GLU 299 299 ? A -13.869 -31.202 -6.540 1.000 1 A 40.490 1 ATOM 2357 C CA . GLU 299 299 ? A -13.586 -31.405 -5.122 1.000 1 A 40.490 1 ATOM 2358 C C . GLU 299 299 ? A -12.976 -32.781 -4.872 1.000 1 A 40.490 1 ATOM 2359 O O . GLU 299 299 ? A -13.602 -33.804 -5.155 1.000 1 A 40.490 1 ATOM 2360 C CB . GLU 299 299 ? A -14.860 -31.235 -4.289 1.000 1 A 40.490 1 ATOM 2361 C CG . GLU 299 299 ? A -15.546 -29.890 -4.481 1.000 1 A 40.490 1 ATOM 2362 C CD . GLU 299 299 ? A -16.843 -29.761 -3.699 1.000 1 A 40.490 1 ATOM 2363 O OE1 . GLU 299 299 ? A -17.483 -28.687 -3.757 1.000 1 A 40.490 1 ATOM 2364 O OE2 . GLU 299 299 ? A -17.223 -30.743 -3.022 1.000 1 A 40.490 1 ATOM 2365 N N . GLU 300 300 ? A -11.573 -32.870 -5.047 1.000 1 A 49.320 1 ATOM 2366 C CA . GLU 300 300 ? A -10.740 -33.873 -4.390 1.000 1 A 49.320 1 ATOM 2367 C C . GLU 300 300 ? A -9.445 -33.258 -3.866 1.000 1 A 49.320 1 ATOM 2368 O O . GLU 300 300 ? A -8.714 -32.606 -4.615 1.000 1 A 49.320 1 ATOM 2369 C CB . GLU 300 300 ? A -10.425 -35.023 -5.350 1.000 1 A 49.320 1 ATOM 2370 C CG . GLU 300 300 ? A -11.661 -35.722 -5.898 1.000 1 A 49.320 1 ATOM 2371 C CD . GLU 300 300 ? A -11.341 -36.999 -6.659 1.000 1 A 49.320 1 ATOM 2372 O OE1 . GLU 300 300 ? A -12.283 -37.716 -7.066 1.000 1 A 49.320 1 ATOM 2373 O OE2 . GLU 300 300 ? A -10.137 -37.285 -6.849 1.000 1 A 49.320 1 ATOM 2374 N N . GLN 301 301 ? A -9.348 -32.850 -2.601 1.000 1 A 50.540 1 ATOM 2375 C CA . GLN 301 301 ? A -8.525 -33.242 -1.462 1.000 1 A 50.540 1 ATOM 2376 C C . GLN 301 301 ? A -7.358 -32.279 -1.269 1.000 1 A 50.540 1 ATOM 2377 O O . GLN 301 301 ? A -6.612 -32.003 -2.210 1.000 1 A 50.540 1 ATOM 2378 C CB . GLN 301 301 ? A -8.005 -34.669 -1.642 1.000 1 A 50.540 1 ATOM 2379 C CG . GLN 301 301 ? A -8.984 -35.743 -1.188 1.000 1 A 50.540 1 ATOM 2380 C CD . GLN 301 301 ? A -8.319 -37.087 -0.962 1.000 1 A 50.540 1 ATOM 2381 O OE1 . GLN 301 301 ? A -7.149 -37.158 -0.571 1.000 1 A 50.540 1 ATOM 2382 N NE2 . GLN 301 301 ? A -9.058 -38.164 -1.207 1.000 1 A 50.540 1 ATOM 2383 N N . PRO 302 302 ? A -7.239 -31.575 -0.079 1.000 1 A 45.510 1 ATOM 2384 C CA . PRO 302 302 ? A -5.893 -31.118 0.270 1.000 1 A 45.510 1 ATOM 2385 C C . PRO 302 302 ? A -5.226 -31.998 1.325 1.000 1 A 45.510 1 ATOM 2386 O O . PRO 302 302 ? A -5.855 -32.354 2.325 1.000 1 A 45.510 1 ATOM 2387 C CB . PRO 302 302 ? A -6.129 -29.705 0.808 1.000 1 A 45.510 1 ATOM 2388 C CG . PRO 302 302 ? A -7.494 -29.750 1.416 1.000 1 A 45.510 1 ATOM 2389 C CD . PRO 302 302 ? A -8.184 -30.998 0.945 1.000 1 A 45.510 1 ATOM 2390 N N . HIS 303 303 ? A -4.281 -32.925 1.001 1.000 1 A 48.180 1 ATOM 2391 C CA . HIS 303 303 ? A -3.142 -33.504 1.705 1.000 1 A 48.180 1 ATOM 2392 C C . HIS 303 303 ? A -2.020 -32.484 1.869 1.000 1 A 48.180 1 ATOM 2393 O O . HIS 303 303 ? A -1.446 -32.022 0.881 1.000 1 A 48.180 1 ATOM 2394 C CB . HIS 303 303 ? A -2.626 -34.739 0.965 1.000 1 A 48.180 1 ATOM 2395 C CG . HIS 303 303 ? A -3.534 -35.923 1.066 1.000 1 A 48.180 1 ATOM 2396 N ND1 . HIS 303 303 ? A -3.750 -36.596 2.249 1.000 1 A 48.180 1 ATOM 2397 C CD2 . HIS 303 303 ? A -4.284 -36.550 0.129 1.000 1 A 48.180 1 ATOM 2398 C CE1 . HIS 303 303 ? A -4.596 -37.590 2.034 1.000 1 A 48.180 1 ATOM 2399 N NE2 . HIS 303 303 ? A -4.935 -37.584 0.756 1.000 1 A 48.180 1 ATOM 2400 N N . THR 304 304 ? A -2.054 -31.622 2.941 1.000 1 A 50.030 1 ATOM 2401 C CA . THR 304 304 ? A -0.914 -31.087 3.678 1.000 1 A 50.030 1 ATOM 2402 C C . THR 304 304 ? A -0.702 -31.856 4.979 1.000 1 A 50.030 1 ATOM 2403 O O . THR 304 304 ? A -1.648 -32.076 5.738 1.000 1 A 50.030 1 ATOM 2404 C CB . THR 304 304 ? A -1.103 -29.591 3.988 1.000 1 A 50.030 1 ATOM 2405 O OG1 . THR 304 304 ? A -2.389 -29.391 4.588 1.000 1 A 50.030 1 ATOM 2406 C CG2 . THR 304 304 ? A -1.010 -28.750 2.719 1.000 1 A 50.030 1 ATOM 2407 N N . LEU 305 305 ? A 0.165 -32.742 5.018 1.000 1 A 52.350 1 ATOM 2408 C CA . LEU 305 305 ? A 1.207 -33.252 5.903 1.000 1 A 52.350 1 ATOM 2409 C C . LEU 305 305 ? A 2.106 -32.121 6.391 1.000 1 A 52.350 1 ATOM 2410 O O . LEU 305 305 ? A 2.638 -31.354 5.586 1.000 1 A 52.350 1 ATOM 2411 C CB . LEU 305 305 ? A 2.045 -34.314 5.188 1.000 1 A 52.350 1 ATOM 2412 C CG . LEU 305 305 ? A 1.542 -35.755 5.286 1.000 1 A 52.350 1 ATOM 2413 C CD1 . LEU 305 305 ? A 1.812 -36.502 3.984 1.000 1 A 52.350 1 ATOM 2414 C CD2 . LEU 305 305 ? A 2.195 -36.471 6.464 1.000 1 A 52.350 1 ATOM 2415 N N . MET 306 306 ? A 1.853 -31.627 7.659 1.000 1 A 49.530 1 ATOM 2416 C CA . MET 306 306 ? A 2.703 -31.779 8.837 1.000 1 A 49.530 1 ATOM 2417 C C . MET 306 306 ? A 2.669 -30.520 9.697 1.000 1 A 49.530 1 ATOM 2418 O O . MET 306 306 ? A 2.957 -29.424 9.213 1.000 1 A 49.530 1 ATOM 2419 C CB . MET 306 306 ? A 4.142 -32.093 8.425 1.000 1 A 49.530 1 ATOM 2420 C CG . MET 306 306 ? A 4.450 -33.580 8.359 1.000 1 A 49.530 1 ATOM 2421 S SD . MET 306 306 ? A 5.607 -34.117 9.679 1.000 1 A 49.530 1 ATOM 2422 C CE . MET 306 306 ? A 5.446 -35.918 9.532 1.000 1 A 49.530 1 ATOM 2423 N N . ARG 307 307 ? A 1.838 -30.494 10.811 1.000 1 A 46.490 1 ATOM 2424 C CA . ARG 307 307 ? A 2.161 -30.641 12.226 1.000 1 A 46.490 1 ATOM 2425 C C . ARG 307 307 ? A 2.107 -29.296 12.943 1.000 1 A 46.490 1 ATOM 2426 O O . ARG 307 307 ? A 2.785 -28.347 12.544 1.000 1 A 46.490 1 ATOM 2427 C CB . ARG 307 307 ? A 3.544 -31.273 12.400 1.000 1 A 46.490 1 ATOM 2428 C CG . ARG 307 307 ? A 3.722 -32.014 13.715 1.000 1 A 46.490 1 ATOM 2429 C CD . ARG 307 307 ? A 5.086 -32.684 13.804 1.000 1 A 46.490 1 ATOM 2430 N NE . ARG 307 307 ? A 5.072 -33.814 14.729 1.000 1 A 46.490 1 ATOM 2431 C CZ . ARG 307 307 ? A 6.157 -34.382 15.248 1.000 1 A 46.490 1 ATOM 2432 N NH1 . ARG 307 307 ? A 7.369 -33.935 14.941 1.000 1 A 46.490 1 ATOM 2433 N NH2 . ARG 307 307 ? A 6.029 -35.406 16.080 1.000 1 A 46.490 1 ATOM 2434 N N . SER 308 308 ? A 0.953 -29.135 13.667 1.000 1 A 43.740 1 ATOM 2435 C CA . SER 308 308 ? A 0.667 -29.220 15.096 1.000 1 A 43.740 1 ATOM 2436 C C . SER 308 308 ? A -0.083 -27.985 15.584 1.000 1 A 43.740 1 ATOM 2437 O O . SER 308 308 ? A 0.417 -26.864 15.470 1.000 1 A 43.740 1 ATOM 2438 C CB . SER 308 308 ? A 1.962 -29.388 15.892 1.000 1 A 43.740 1 ATOM 2439 O OG . SER 308 308 ? A 3.077 -29.488 15.024 1.000 1 A 43.740 1 ATOM 2440 N N . ARG 309 309 ? A -1.446 -28.169 15.698 1.000 1 A 46.640 1 ATOM 2441 C CA . ARG 309 309 ? A -2.352 -28.495 16.795 1.000 1 A 46.640 1 ATOM 2442 C C . ARG 309 309 ? A -2.557 -27.292 17.711 1.000 1 A 46.640 1 ATOM 2443 O O . ARG 309 309 ? A -1.591 -26.721 18.221 1.000 1 A 46.640 1 ATOM 2444 C CB . ARG 309 309 ? A -1.818 -29.681 17.600 1.000 1 A 46.640 1 ATOM 2445 C CG . ARG 309 309 ? A -2.694 -30.921 17.524 1.000 1 A 46.640 1 ATOM 2446 C CD . ARG 309 309 ? A -2.173 -32.036 18.421 1.000 1 A 46.640 1 ATOM 2447 N NE . ARG 309 309 ? A -2.613 -33.349 17.960 1.000 1 A 46.640 1 ATOM 2448 C CZ . ARG 309 309 ? A -2.571 -34.462 18.688 1.000 1 A 46.640 1 ATOM 2449 N NH1 . ARG 309 309 ? A -2.106 -34.441 19.932 1.000 1 A 46.640 1 ATOM 2450 N NH2 . ARG 309 309 ? A -2.997 -35.604 18.169 1.000 1 A 46.640 1 ATOM 2451 N N . SER 310 310 ? A -3.880 -26.712 17.546 1.000 1 A 42.830 1 ATOM 2452 C CA . SER 310 310 ? A -4.976 -26.830 18.502 1.000 1 A 42.830 1 ATOM 2453 C C . SER 310 310 ? A -5.995 -25.710 18.316 1.000 1 A 42.830 1 ATOM 2454 O O . SER 310 310 ? A -5.652 -24.530 18.412 1.000 1 A 42.830 1 ATOM 2455 C CB . SER 310 310 ? A -4.442 -26.812 19.935 1.000 1 A 42.830 1 ATOM 2456 O OG . SER 310 310 ? A -3.281 -26.005 20.028 1.000 1 A 42.830 1 ATOM 2457 N N . HIS 311 311 ? A -7.190 -26.033 17.581 1.000 1 A 46.070 1 ATOM 2458 C CA . HIS 311 311 ? A -8.597 -26.414 17.639 1.000 1 A 46.070 1 ATOM 2459 C C . HIS 311 311 ? A -9.487 -25.199 17.878 1.000 1 A 46.070 1 ATOM 2460 O O . HIS 311 311 ? A -9.337 -24.501 18.884 1.000 1 A 46.070 1 ATOM 2461 C CB . HIS 311 311 ? A -8.825 -27.455 18.737 1.000 1 A 46.070 1 ATOM 2462 C CG . HIS 311 311 ? A -8.550 -28.858 18.299 1.000 1 A 46.070 1 ATOM 2463 N ND1 . HIS 311 311 ? A -8.083 -29.166 17.039 1.000 1 A 46.070 1 ATOM 2464 C CD2 . HIS 311 311 ? A -8.675 -30.035 18.956 1.000 1 A 46.070 1 ATOM 2465 C CE1 . HIS 311 311 ? A -7.933 -30.477 16.941 1.000 1 A 46.070 1 ATOM 2466 N NE2 . HIS 311 311 ? A -8.285 -31.027 18.090 1.000 1 A 46.070 1 ATOM 2467 N N . ASP 312 312 ? A -10.195 -24.723 16.856 1.000 1 A 43.490 1 ATOM 2468 C CA . ASP 312 312 ? A -11.492 -24.234 16.397 1.000 1 A 43.490 1 ATOM 2469 C C . ASP 312 312 ? A -12.575 -25.294 16.579 1.000 1 A 43.490 1 ATOM 2470 O O . ASP 312 312 ? A -12.360 -26.468 16.270 1.000 1 A 43.490 1 ATOM 2471 C CB . ASP 312 312 ? A -11.415 -23.806 14.930 1.000 1 A 43.490 1 ATOM 2472 C CG . ASP 312 312 ? A -10.809 -22.426 14.745 1.000 1 A 43.490 1 ATOM 2473 O OD1 . ASP 312 312 ? A -10.958 -21.569 15.643 1.000 1 A 43.490 1 ATOM 2474 O OD2 . ASP 312 312 ? A -10.179 -22.192 13.691 1.000 1 A 43.490 1 ATOM 2475 N N . ARG 313 313 ? A -13.664 -25.100 17.404 1.000 1 A 46.690 1 ATOM 2476 C CA . ARG 313 313 ? A -14.916 -25.754 17.040 1.000 1 A 46.690 1 ATOM 2477 C C . ARG 313 313 ? A -16.057 -24.746 16.956 1.000 1 A 46.690 1 ATOM 2478 O O . ARG 313 313 ? A -16.330 -24.028 17.920 1.000 1 A 46.690 1 ATOM 2479 C CB . ARG 313 313 ? A -15.262 -26.854 18.046 1.000 1 A 46.690 1 ATOM 2480 C CG . ARG 313 313 ? A -15.592 -28.193 17.407 1.000 1 A 46.690 1 ATOM 2481 C CD . ARG 313 313 ? A -16.118 -29.191 18.428 1.000 1 A 46.690 1 ATOM 2482 N NE . ARG 313 313 ? A -16.529 -30.442 17.797 1.000 1 A 46.690 1 ATOM 2483 C CZ . ARG 313 313 ? A -16.534 -31.629 18.398 1.000 1 A 46.690 1 ATOM 2484 N NH1 . ARG 313 313 ? A -16.146 -31.750 19.663 1.000 1 A 46.690 1 ATOM 2485 N NH2 . ARG 313 313 ? A -16.927 -32.703 17.730 1.000 1 A 46.690 1 ATOM 2486 N N . ALA 314 314 ? A -16.531 -24.340 15.779 1.000 1 A 42.530 1 ATOM 2487 C CA . ALA 314 314 ? A -17.850 -23.985 15.264 1.000 1 A 42.530 1 ATOM 2488 C C . ALA 314 314 ? A -18.327 -24.999 14.228 1.000 1 A 42.530 1 ATOM 2489 O O . ALA 314 314 ? A -17.579 -25.364 13.318 1.000 1 A 42.530 1 ATOM 2490 C CB . ALA 314 314 ? A -17.826 -22.583 14.660 1.000 1 A 42.530 1 ATOM 2491 N N . LEU 315 315 ? A -19.506 -25.757 14.403 1.000 1 A 43.970 1 ATOM 2492 C CA . LEU 315 315 ? A -20.894 -25.676 13.961 1.000 1 A 43.970 1 ATOM 2493 C C . LEU 315 315 ? A -21.285 -26.917 13.166 1.000 1 A 43.970 1 ATOM 2494 O O . LEU 315 315 ? A -20.560 -27.331 12.258 1.000 1 A 43.970 1 ATOM 2495 C CB . LEU 315 315 ? A -21.114 -24.421 13.112 1.000 1 A 43.970 1 ATOM 2496 C CG . LEU 315 315 ? A -21.172 -23.093 13.868 1.000 1 A 43.970 1 ATOM 2497 C CD1 . LEU 315 315 ? A -21.173 -21.925 12.888 1.000 1 A 43.970 1 ATOM 2498 C CD2 . LEU 315 315 ? A -22.401 -23.043 14.769 1.000 1 A 43.970 1 ATOM 2499 N N . ASP 316 316 ? A -22.476 -27.553 13.545 1.000 1 A 41.080 1 ATOM 2500 C CA . ASP 316 316 ? A -23.675 -27.625 12.716 1.000 1 A 41.080 1 ATOM 2501 C C . ASP 316 316 ? A -24.559 -28.799 13.128 1.000 1 A 41.080 1 ATOM 2502 O O . ASP 316 316 ? A -24.099 -29.942 13.178 1.000 1 A 41.080 1 ATOM 2503 C CB . ASP 316 316 ? A -23.298 -27.744 11.237 1.000 1 A 41.080 1 ATOM 2504 C CG . ASP 316 316 ? A -23.055 -26.398 10.577 1.000 1 A 41.080 1 ATOM 2505 O OD1 . ASP 316 316 ? A -23.742 -25.414 10.926 1.000 1 A 41.080 1 ATOM 2506 O OD2 . ASP 316 316 ? A -22.170 -26.322 9.698 1.000 1 A 41.080 1 ATOM 2507 N N . GLU 317 317 ? A -25.820 -28.606 13.496 1.000 1 A 48.150 1 ATOM 2508 C CA . GLU 317 317 ? A -26.932 -29.284 12.837 1.000 1 A 48.150 1 ATOM 2509 C C . GLU 317 317 ? A -28.221 -29.145 13.643 1.000 1 A 48.150 1 ATOM 2510 O O . GLU 317 317 ? A -28.263 -29.501 14.822 1.000 1 A 48.150 1 ATOM 2511 C CB . GLU 317 317 ? A -26.606 -30.764 12.618 1.000 1 A 48.150 1 ATOM 2512 C CG . GLU 317 317 ? A -26.295 -31.118 11.171 1.000 1 A 48.150 1 ATOM 2513 C CD . GLU 317 317 ? A -25.867 -32.566 10.987 1.000 1 A 48.150 1 ATOM 2514 O OE1 . GLU 317 317 ? A -25.796 -33.034 9.828 1.000 1 A 48.150 1 ATOM 2515 O OE2 . GLU 317 317 ? A -25.602 -33.236 12.009 1.000 1 A 48.150 1 ATOM 2516 N N . GLU 318 318 ? A -29.275 -28.412 13.265 1.000 1 A 51.540 1 ATOM 2517 C CA . GLU 318 318 ? A -30.627 -28.422 12.716 1.000 1 A 51.540 1 ATOM 2518 C C . GLU 318 318 ? A -31.646 -28.857 13.766 1.000 1 A 51.540 1 ATOM 2519 O O . GLU 318 318 ? A -31.362 -29.726 14.592 1.000 1 A 51.540 1 ATOM 2520 C CB . GLU 318 318 ? A -30.705 -29.344 11.495 1.000 1 A 51.540 1 ATOM 2521 C CG . GLU 318 318 ? A -31.325 -28.689 10.269 1.000 1 A 51.540 1 ATOM 2522 C CD . GLU 318 318 ? A -32.090 -29.666 9.391 1.000 1 A 51.540 1 ATOM 2523 O OE1 . GLU 318 318 ? A -33.173 -29.301 8.879 1.000 1 A 51.540 1 ATOM 2524 O OE2 . GLU 318 318 ? A -31.604 -30.805 9.213 1.000 1 A 51.540 1 ATOM 2525 N N . PRO 319 319 ? A -33.121 -28.590 13.530 1.000 1 A 47.000 1 ATOM 2526 C CA . PRO 319 319 ? A -34.361 -27.816 13.631 1.000 1 A 47.000 1 ATOM 2527 C C . PRO 319 319 ? A -35.465 -28.565 14.373 1.000 1 A 47.000 1 ATOM 2528 O O . PRO 319 319 ? A -35.366 -29.779 14.573 1.000 1 A 47.000 1 ATOM 2529 C CB . PRO 319 319 ? A -34.748 -27.579 12.169 1.000 1 A 47.000 1 ATOM 2530 C CG . PRO 319 319 ? A -34.325 -28.821 11.455 1.000 1 A 47.000 1 ATOM 2531 C CD . PRO 319 319 ? A -33.575 -29.694 12.420 1.000 1 A 47.000 1 ATOM 2532 N N . ARG 320 320 ? A -36.287 -27.895 15.289 1.000 1 A 41.040 1 ATOM 2533 C CA . ARG 320 320 ? A -37.745 -27.922 15.349 1.000 1 A 41.040 1 ATOM 2534 C C . ARG 320 320 ? A -38.233 -27.918 16.794 1.000 1 A 41.040 1 ATOM 2535 O O . ARG 320 320 ? A -37.724 -28.668 17.629 1.000 1 A 41.040 1 ATOM 2536 C CB . ARG 320 320 ? A -38.291 -29.148 14.615 1.000 1 A 41.040 1 ATOM 2537 C CG . ARG 320 320 ? A -37.510 -29.515 13.363 1.000 1 A 41.040 1 ATOM 2538 C CD . ARG 320 320 ? A -38.354 -30.327 12.390 1.000 1 A 41.040 1 ATOM 2539 N NE . ARG 320 320 ? A -37.631 -30.605 11.152 1.000 1 A 41.040 1 ATOM 2540 C CZ . ARG 320 320 ? A -38.128 -31.278 10.119 1.000 1 A 41.040 1 ATOM 2541 N NH1 . ARG 320 320 ? A -39.366 -31.758 10.155 1.000 1 A 41.040 1 ATOM 2542 N NH2 . ARG 320 320 ? A -37.383 -31.474 9.041 1.000 1 A 41.040 1 ATOM 2543 N N . PHE 321 321 ? A -39.067 -26.944 17.246 1.000 1 A 45.010 1 ATOM 2544 C CA . PHE 321 321 ? A -40.446 -26.651 17.619 1.000 1 A 45.010 1 ATOM 2545 C C . PHE 321 321 ? A -40.623 -26.718 19.132 1.000 1 A 45.010 1 ATOM 2546 O O . PHE 321 321 ? A -40.179 -27.673 19.773 1.000 1 A 45.010 1 ATOM 2547 C CB . PHE 321 321 ? A -41.408 -27.627 16.935 1.000 1 A 45.010 1 ATOM 2548 C CG . PHE 321 321 ? A -41.938 -27.132 15.616 1.000 1 A 45.010 1 ATOM 2549 C CD1 . PHE 321 321 ? A -43.030 -26.273 15.568 1.000 1 A 45.010 1 ATOM 2550 C CD2 . PHE 321 321 ? A -41.345 -27.525 14.424 1.000 1 A 45.010 1 ATOM 2551 C CE1 . PHE 321 321 ? A -43.522 -25.813 14.349 1.000 1 A 45.010 1 ATOM 2552 C CE2 . PHE 321 321 ? A -41.832 -27.070 13.202 1.000 1 A 45.010 1 ATOM 2553 C CZ . PHE 321 321 ? A -42.921 -26.214 13.167 1.000 1 A 45.010 1 ATOM 2554 N N . VAL 322 322 ? A -41.008 -25.580 19.853 1.000 1 A 51.400 1 ATOM 2555 C CA . VAL 322 322 ? A -42.213 -25.333 20.638 1.000 1 A 51.400 1 ATOM 2556 C C . VAL 322 322 ? A -41.837 -24.693 21.973 1.000 1 A 51.400 1 ATOM 2557 O O . VAL 322 322 ? A -41.007 -25.226 22.712 1.000 1 A 51.400 1 ATOM 2558 C CB . VAL 322 322 ? A -43.011 -26.634 20.878 1.000 1 A 51.400 1 ATOM 2559 C CG1 . VAL 322 322 ? A -44.443 -26.319 21.305 1.000 1 A 51.400 1 ATOM 2560 C CG2 . VAL 322 322 ? A -43.005 -27.502 19.621 1.000 1 A 51.400 1 ATOM 2561 N N . GLN 323 323 ? A -42.187 -23.408 22.229 1.000 1 A 49.830 1 ATOM 2562 C CA . GLN 323 323 ? A -43.091 -22.502 22.929 1.000 1 A 49.830 1 ATOM 2563 C C . GLN 323 323 ? A -42.425 -21.912 24.170 1.000 1 A 49.830 1 ATOM 2564 O O . GLN 323 323 ? A -41.721 -22.615 24.897 1.000 1 A 49.830 1 ATOM 2565 C CB . GLN 323 323 ? A -44.381 -23.224 23.319 1.000 1 A 49.830 1 ATOM 2566 C CG . GLN 323 323 ? A -45.428 -23.252 22.214 1.000 1 A 49.830 1 ATOM 2567 C CD . GLN 323 323 ? A -46.802 -23.653 22.717 1.000 1 A 49.830 1 ATOM 2568 O OE1 . GLN 323 323 ? A -47.307 -23.094 23.696 1.000 1 A 49.830 1 ATOM 2569 N NE2 . GLN 323 323 ? A -47.417 -24.625 22.051 1.000 1 A 49.830 1 ATOM 2570 N N . PRO 324 324 ? A -43.058 -20.734 24.603 1.000 1 A 44.390 1 ATOM 2571 C CA . PRO 324 324 ? A -42.919 -19.411 25.216 1.000 1 A 44.390 1 ATOM 2572 C C . PRO 324 324 ? A -43.158 -19.432 26.724 1.000 1 A 44.390 1 ATOM 2573 O O . PRO 324 324 ? A -43.964 -20.227 27.214 1.000 1 A 44.390 1 ATOM 2574 C CB . PRO 324 324 ? A -43.990 -18.579 24.506 1.000 1 A 44.390 1 ATOM 2575 C CG . PRO 324 324 ? A -45.119 -19.529 24.271 1.000 1 A 44.390 1 ATOM 2576 C CD . PRO 324 324 ? A -44.695 -20.896 24.727 1.000 1 A 44.390 1 ATOM 2577 N N . GLY 325 325 ? A -42.208 -18.860 27.521 1.000 1 A 48.140 1 ATOM 2578 C CA . GLY 325 325 ? A -42.533 -18.182 28.766 1.000 1 A 48.140 1 ATOM 2579 C C . GLY 325 325 ? A -41.353 -18.081 29.715 1.000 1 A 48.140 1 ATOM 2580 O O . GLY 325 325 ? A -40.638 -19.061 29.930 1.000 1 A 48.140 1 ATOM 2581 N N . HIS 326 326 ? A -40.876 -16.791 29.924 1.000 1 A 47.690 1 ATOM 2582 C CA . HIS 326 326 ? A -40.945 -15.841 31.029 1.000 1 A 47.690 1 ATOM 2583 C C . HIS 326 326 ? A -39.716 -15.949 31.925 1.000 1 A 47.690 1 ATOM 2584 O O . HIS 326 326 ? A -39.478 -16.992 32.538 1.000 1 A 47.690 1 ATOM 2585 C CB . HIS 326 326 ? A -42.215 -16.066 31.851 1.000 1 A 47.690 1 ATOM 2586 C CG . HIS 326 326 ? A -43.440 -15.464 31.238 1.000 1 A 47.690 1 ATOM 2587 N ND1 . HIS 326 326 ? A -44.146 -16.080 30.227 1.000 1 A 47.690 1 ATOM 2588 C CD2 . HIS 326 326 ? A -44.085 -14.303 31.499 1.000 1 A 47.690 1 ATOM 2589 C CE1 . HIS 326 326 ? A -45.174 -15.320 29.891 1.000 1 A 47.690 1 ATOM 2590 N NE2 . HIS 326 326 ? A -45.160 -14.236 30.647 1.000 1 A 47.690 1 ATOM 2591 N N . TYR 327 327 ? A -38.843 -14.885 31.814 1.000 1 A 50.150 1 ATOM 2592 C CA . TYR 327 327 ? A -38.391 -13.742 32.599 1.000 1 A 50.150 1 ATOM 2593 C C . TYR 327 327 ? A -36.915 -13.873 32.953 1.000 1 A 50.150 1 ATOM 2594 O O . TYR 327 327 ? A -36.455 -14.952 33.335 1.000 1 A 50.150 1 ATOM 2595 C CB . TYR 327 327 ? A -39.224 -13.603 33.876 1.000 1 A 50.150 1 ATOM 2596 C CG . TYR 327 327 ? A -40.389 -12.652 33.742 1.000 1 A 50.150 1 ATOM 2597 C CD1 . TYR 327 327 ? A -40.230 -11.288 33.976 1.000 1 A 50.150 1 ATOM 2598 C CD2 . TYR 327 327 ? A -41.649 -13.115 33.381 1.000 1 A 50.150 1 ATOM 2599 C CE1 . TYR 327 327 ? A -41.300 -10.408 33.855 1.000 1 A 50.150 1 ATOM 2600 C CE2 . TYR 327 327 ? A -42.727 -12.244 33.257 1.000 1 A 50.150 1 ATOM 2601 C CZ . TYR 327 327 ? A -42.543 -10.894 33.495 1.000 1 A 50.150 1 ATOM 2602 O OH . TYR 327 327 ? A -43.606 -10.028 33.374 1.000 1 A 50.150 1 ATOM 2603 N N . PRO 328 328 ? A -36.219 -12.617 33.193 1.000 1 A 52.940 1 ATOM 2604 C CA . PRO 328 328 ? A -36.008 -11.195 32.911 1.000 1 A 52.940 1 ATOM 2605 C C . PRO 328 328 ? A -34.557 -10.762 33.113 1.000 1 A 52.940 1 ATOM 2606 O O . PRO 328 328 ? A -33.881 -11.259 34.018 1.000 1 A 52.940 1 ATOM 2607 C CB . PRO 328 328 ? A -36.931 -10.496 33.913 1.000 1 A 52.940 1 ATOM 2608 C CG . PRO 328 328 ? A -36.895 -11.360 35.132 1.000 1 A 52.940 1 ATOM 2609 C CD . PRO 328 328 ? A -36.117 -12.604 34.813 1.000 1 A 52.940 1 ATOM 2610 N N . GLY 329 329 ? A -33.976 -10.017 32.110 1.000 1 A 51.500 1 ATOM 2611 C CA . GLY 329 329 ? A -33.551 -8.647 31.872 1.000 1 A 51.500 1 ATOM 2612 C C . GLY 329 329 ? A -32.179 -8.340 32.442 1.000 1 A 51.500 1 ATOM 2613 O O . GLY 329 329 ? A -31.774 -8.924 33.449 1.000 1 A 51.500 1 ATOM 2614 N N . PRO 330 330 ? A -31.462 -7.202 31.947 1.000 1 A 47.270 1 ATOM 2615 C CA . PRO 330 330 ? A -31.634 -6.073 31.030 1.000 1 A 47.270 1 ATOM 2616 C C . PRO 330 330 ? A -30.304 -5.499 30.546 1.000 1 A 47.270 1 ATOM 2617 O O . PRO 330 330 ? A -29.330 -5.465 31.302 1.000 1 A 47.270 1 ATOM 2618 C CB . PRO 330 330 ? A -32.398 -5.048 31.872 1.000 1 A 47.270 1 ATOM 2619 C CG . PRO 330 330 ? A -31.875 -5.228 33.260 1.000 1 A 47.270 1 ATOM 2620 C CD . PRO 330 330 ? A -30.949 -6.410 33.272 1.000 1 A 47.270 1 ATOM 2621 N N . TYR 331 331 ? A -30.025 -5.493 29.273 1.000 1 A 45.600 1 ATOM 2622 C CA . TYR 331 331 ? A -29.715 -4.528 28.224 1.000 1 A 45.600 1 ATOM 2623 C C . TYR 331 331 ? A -30.322 -3.166 28.540 1.000 1 A 45.600 1 ATOM 2624 O O . TYR 331 331 ? A -31.479 -3.076 28.957 1.000 1 A 45.600 1 ATOM 2625 C CB . TYR 331 331 ? A -30.225 -5.025 26.868 1.000 1 A 45.600 1 ATOM 2626 C CG . TYR 331 331 ? A -29.271 -5.960 26.166 1.000 1 A 45.600 1 ATOM 2627 C CD1 . TYR 331 331 ? A -28.238 -5.466 25.372 1.000 1 A 45.600 1 ATOM 2628 C CD2 . TYR 331 331 ? A -29.399 -7.339 26.294 1.000 1 A 45.600 1 ATOM 2629 C CE1 . TYR 331 331 ? A -27.357 -6.323 24.722 1.000 1 A 45.600 1 ATOM 2630 C CE2 . TYR 331 331 ? A -28.524 -8.206 25.649 1.000 1 A 45.600 1 ATOM 2631 C CZ . TYR 331 331 ? A -27.508 -7.690 24.866 1.000 1 A 45.600 1 ATOM 2632 O OH . TYR 331 331 ? A -26.639 -8.543 24.224 1.000 1 A 45.600 1 ATOM 2633 N N . HIS 332 332 ? A -29.462 -2.158 28.790 1.000 1 A 47.400 1 ATOM 2634 C CA . HIS 332 332 ? A -29.899 -0.860 28.289 1.000 1 A 47.400 1 ATOM 2635 C C . HIS 332 332 ? A -28.745 0.138 28.264 1.000 1 A 47.400 1 ATOM 2636 O O . HIS 332 332 ? A -28.053 0.319 29.268 1.000 1 A 47.400 1 ATOM 2637 C CB . HIS 332 332 ? A -31.045 -0.314 29.142 1.000 1 A 47.400 1 ATOM 2638 C CG . HIS 332 332 ? A -32.396 -0.780 28.700 1.000 1 A 47.400 1 ATOM 2639 N ND1 . HIS 332 332 ? A -32.829 -0.675 27.396 1.000 1 A 47.400 1 ATOM 2640 C CD2 . HIS 332 332 ? A -33.408 -1.355 29.391 1.000 1 A 47.400 1 ATOM 2641 C CE1 . HIS 332 332 ? A -34.053 -1.167 27.304 1.000 1 A 47.400 1 ATOM 2642 N NE2 . HIS 332 332 ? A -34.428 -1.586 28.501 1.000 1 A 47.400 1 ATOM 2643 N N . ARG 333 333 ? A -28.284 0.581 27.084 1.000 1 A 50.100 1 ATOM 2644 C CA . ARG 333 333 ? A -28.583 1.677 26.168 1.000 1 A 50.100 1 ATOM 2645 C C . ARG 333 333 ? A -27.842 2.947 26.574 1.000 1 A 50.100 1 ATOM 2646 O O . ARG 333 333 ? A -27.792 3.291 27.756 1.000 1 A 50.100 1 ATOM 2647 C CB . ARG 333 333 ? A -30.090 1.942 26.120 1.000 1 A 50.100 1 ATOM 2648 C CG . ARG 333 333 ? A -30.612 2.280 24.732 1.000 1 A 50.100 1 ATOM 2649 C CD . ARG 333 333 ? A -32.057 2.757 24.774 1.000 1 A 50.100 1 ATOM 2650 N NE . ARG 333 333 ? A -32.713 2.603 23.478 1.000 1 A 50.100 1 ATOM 2651 C CZ . ARG 333 333 ? A -33.866 3.173 23.140 1.000 1 A 50.100 1 ATOM 2652 N NH1 . ARG 333 333 ? A -34.516 3.950 24.000 1.000 1 A 50.100 1 ATOM 2653 N NH2 . ARG 333 333 ? A -34.373 2.966 21.934 1.000 1 A 50.100 1 ATOM 2654 N N . PRO 334 334 ? A -27.194 3.779 25.582 1.000 1 A 44.220 1 ATOM 2655 C CA . PRO 334 334 ? A -26.687 5.153 25.580 1.000 1 A 44.220 1 ATOM 2656 C C . PRO 334 334 ? A -27.789 6.188 25.368 1.000 1 A 44.220 1 ATOM 2657 O O . PRO 334 334 ? A -28.700 5.970 24.566 1.000 1 A 44.220 1 ATOM 2658 C CB . PRO 334 334 ? A -25.697 5.162 24.413 1.000 1 A 44.220 1 ATOM 2659 C CG . PRO 334 334 ? A -26.146 4.049 23.522 1.000 1 A 44.220 1 ATOM 2660 C CD . PRO 334 334 ? A -27.312 3.359 24.171 1.000 1 A 44.220 1 ATOM 2661 N N . GLN 335 335 ? A -28.219 6.954 26.441 1.000 1 A 56.650 1 ATOM 2662 C CA . GLN 335 335 ? A -29.238 7.996 26.524 1.000 1 A 56.650 1 ATOM 2663 C C . GLN 335 335 ? A -28.605 9.384 26.548 1.000 1 A 56.650 1 ATOM 2664 O O . GLN 335 335 ? A -27.725 9.657 27.366 1.000 1 A 56.650 1 ATOM 2665 C CB . GLN 335 335 ? A -30.111 7.796 27.764 1.000 1 A 56.650 1 ATOM 2666 C CG . GLN 335 335 ? A -31.411 7.053 27.487 1.000 1 A 56.650 1 ATOM 2667 C CD . GLN 335 335 ? A -32.433 7.224 28.596 1.000 1 A 56.650 1 ATOM 2668 O OE1 . GLN 335 335 ? A -32.282 8.084 29.469 1.000 1 A 56.650 1 ATOM 2669 N NE2 . GLN 335 335 ? A -33.478 6.404 28.570 1.000 1 A 56.650 1 ATOM 2670 N N . MET 336 336 ? A -28.671 10.298 25.473 1.000 1 A 45.000 1 ATOM 2671 C CA . MET 336 336 ? A -29.180 11.592 25.027 1.000 1 A 45.000 1 ATOM 2672 C C . MET 336 336 ? A -30.396 12.010 25.848 1.000 1 A 45.000 1 ATOM 2673 O O . MET 336 336 ? A -31.303 11.207 26.074 1.000 1 A 45.000 1 ATOM 2674 C CB . MET 336 336 ? A -29.543 11.545 23.542 1.000 1 A 45.000 1 ATOM 2675 C CG . MET 336 336 ? A -28.393 11.119 22.643 1.000 1 A 45.000 1 ATOM 2676 S SD . MET 336 336 ? A -28.307 12.104 21.097 1.000 1 A 45.000 1 ATOM 2677 C CE . MET 336 336 ? A -27.925 10.793 19.903 1.000 1 A 45.000 1 ATOM 2678 N N . PHE 337 337 ? A -30.303 13.188 26.575 1.000 1 A 42.730 1 ATOM 2679 C CA . PHE 337 337 ? A -30.855 14.504 26.874 1.000 1 A 42.730 1 ATOM 2680 C C . PHE 337 337 ? A -32.097 14.384 27.749 1.000 1 A 42.730 1 ATOM 2681 O O . PHE 337 337 ? A -32.967 13.550 27.490 1.000 1 A 42.730 1 ATOM 2682 C CB . PHE 337 337 ? A -31.193 15.254 25.582 1.000 1 A 42.730 1 ATOM 2683 C CG . PHE 337 337 ? A -30.102 16.177 25.112 1.000 1 A 42.730 1 ATOM 2684 C CD1 . PHE 337 337 ? A -30.035 17.487 25.572 1.000 1 A 42.730 1 ATOM 2685 C CD2 . PHE 337 337 ? A -29.143 15.735 24.211 1.000 1 A 42.730 1 ATOM 2686 C CE1 . PHE 337 337 ? A -29.025 18.344 25.139 1.000 1 A 42.730 1 ATOM 2687 C CE2 . PHE 337 337 ? A -28.131 16.586 23.773 1.000 1 A 42.730 1 ATOM 2688 C CZ . PHE 337 337 ? A -28.075 17.890 24.238 1.000 1 A 42.730 1 ATOM 2689 N N . GLU 338 338 ? A -32.088 15.043 28.935 1.000 1 A 55.560 1 ATOM 2690 C CA . GLU 338 338 ? A -33.256 15.810 29.357 1.000 1 A 55.560 1 ATOM 2691 C C . GLU 338 338 ? A -33.096 16.320 30.786 1.000 1 A 55.560 1 ATOM 2692 O O . GLU 338 338 ? A -32.786 15.547 31.695 1.000 1 A 55.560 1 ATOM 2693 C CB . GLU 338 338 ? A -34.526 14.963 29.239 1.000 1 A 55.560 1 ATOM 2694 C CG . GLU 338 338 ? A -35.808 15.780 29.183 1.000 1 A 55.560 1 ATOM 2695 C CD . GLU 338 338 ? A -36.846 15.204 28.233 1.000 1 A 55.560 1 ATOM 2696 O OE1 . GLU 338 338 ? A -37.929 15.812 28.076 1.000 1 A 55.560 1 ATOM 2697 O OE2 . GLU 338 338 ? A -36.574 14.135 27.642 1.000 1 A 55.560 1 ATOM 2698 N N . GLU 339 339 ? A -32.723 17.661 31.099 1.000 1 A 53.940 1 ATOM 2699 C CA . GLU 339 339 ? A -33.224 18.888 31.712 1.000 1 A 53.940 1 ATOM 2700 C C . GLU 339 339 ? A -34.011 18.587 32.985 1.000 1 A 53.940 1 ATOM 2701 O O . GLU 339 339 ? A -34.961 17.803 32.963 1.000 1 A 53.940 1 ATOM 2702 C CB . GLU 339 339 ? A -34.099 19.664 30.724 1.000 1 A 53.940 1 ATOM 2703 C CG . GLU 339 339 ? A -33.506 20.999 30.296 1.000 1 A 53.940 1 ATOM 2704 C CD . GLU 339 339 ? A -34.084 21.520 28.989 1.000 1 A 53.940 1 ATOM 2705 O OE1 . GLU 339 339 ? A -33.488 22.441 28.387 1.000 1 A 53.940 1 ATOM 2706 O OE2 . GLU 339 339 ? A -35.142 21.002 28.565 1.000 1 A 53.940 1 ATOM 2707 N N . GLY 340 340 ? A -33.409 18.954 34.161 1.000 1 A 50.050 1 ATOM 2708 C CA . GLY 340 340 ? A -33.958 19.919 35.101 1.000 1 A 50.050 1 ATOM 2709 C C . GLY 340 340 ? A -33.482 19.702 36.525 1.000 1 A 50.050 1 ATOM 2710 O O . GLY 340 340 ? A -33.278 18.563 36.950 1.000 1 A 50.050 1 ATOM 2711 N N . PRO 341 341 ? A -33.669 20.711 37.446 1.000 1 A 48.940 1 ATOM 2712 C CA . PRO 341 341 ? A -33.355 22.017 38.030 1.000 1 A 48.940 1 ATOM 2713 C C . PRO 341 341 ? A -32.817 21.911 39.455 1.000 1 A 48.940 1 ATOM 2714 O O . PRO 341 341 ? A -32.867 20.837 40.060 1.000 1 A 48.940 1 ATOM 2715 C CB . PRO 341 341 ? A -34.701 22.746 38.006 1.000 1 A 48.940 1 ATOM 2716 C CG . PRO 341 341 ? A -35.718 21.681 38.259 1.000 1 A 48.940 1 ATOM 2717 C CD . PRO 341 341 ? A -35.025 20.348 38.251 1.000 1 A 48.940 1 ATOM 2718 N N . PRO 342 342 ? A -32.344 23.137 40.025 1.000 1 A 48.690 1 ATOM 2719 C CA . PRO 342 342 ? A -31.372 23.925 40.788 1.000 1 A 48.690 1 ATOM 2720 C C . PRO 342 342 ? A -31.488 23.707 42.294 1.000 1 A 48.690 1 ATOM 2721 O O . PRO 342 342 ? A -32.597 23.605 42.824 1.000 1 A 48.690 1 ATOM 2722 C CB . PRO 342 342 ? A -31.722 25.369 40.417 1.000 1 A 48.690 1 ATOM 2723 C CG . PRO 342 342 ? A -33.206 25.371 40.244 1.000 1 A 48.690 1 ATOM 2724 C CD . PRO 342 342 ? A -33.701 23.957 40.356 1.000 1 A 48.690 1 ATOM 2725 N N . VAL 343 343 ? A -30.347 23.204 42.938 1.000 1 A 65.660 1 ATOM 2726 C CA . VAL 343 343 ? A -30.259 23.339 44.389 1.000 1 A 65.660 1 ATOM 2727 C C . VAL 343 343 ? A -29.106 24.272 44.752 1.000 1 A 65.660 1 ATOM 2728 O O . VAL 343 343 ? A -27.989 24.110 44.256 1.000 1 A 65.660 1 ATOM 2729 C CB . VAL 343 343 ? A -30.073 21.968 45.076 1.000 1 A 65.660 1 ATOM 2730 C CG1 . VAL 343 343 ? A -31.365 21.156 45.021 1.000 1 A 65.660 1 ATOM 2731 C CG2 . VAL 343 343 ? A -28.925 21.197 44.426 1.000 1 A 65.660 1 ATOM 2732 N N . ASP 344 344 ? A -29.370 25.615 45.083 1.000 1 A 53.550 1 ATOM 2733 C CA . ASP 344 344 ? A -28.991 26.718 45.962 1.000 1 A 53.550 1 ATOM 2734 C C . ASP 344 344 ? A -28.895 26.255 47.414 1.000 1 A 53.550 1 ATOM 2735 O O . ASP 344 344 ? A -29.795 25.579 47.916 1.000 1 A 53.550 1 ATOM 2736 C CB . ASP 344 344 ? A -29.992 27.868 45.842 1.000 1 A 53.550 1 ATOM 2737 C CG . ASP 344 344 ? A -29.849 28.646 44.545 1.000 1 A 53.550 1 ATOM 2738 O OD1 . ASP 344 344 ? A -28.732 28.702 43.988 1.000 1 A 53.550 1 ATOM 2739 O OD2 . ASP 344 344 ? A -30.862 29.211 44.079 1.000 1 A 53.550 1 ATOM 2740 N N . TYR 345 345 ? A -27.696 26.310 48.063 1.000 1 A 46.290 1 ATOM 2741 C CA . TYR 345 345 ? A -27.401 27.070 49.273 1.000 1 A 46.290 1 ATOM 2742 C C . TYR 345 345 ? A -26.656 26.212 50.288 1.000 1 A 46.290 1 ATOM 2743 O O . TYR 345 345 ? A -27.099 25.110 50.623 1.000 1 A 46.290 1 ATOM 2744 C CB . TYR 345 345 ? A -28.692 27.613 49.895 1.000 1 A 46.290 1 ATOM 2745 C CG . TYR 345 345 ? A -28.966 29.059 49.559 1.000 1 A 46.290 1 ATOM 2746 C CD1 . TYR 345 345 ? A -28.440 30.087 50.339 1.000 1 A 46.290 1 ATOM 2747 C CD2 . TYR 345 345 ? A -29.751 29.400 48.463 1.000 1 A 46.290 1 ATOM 2748 C CE1 . TYR 345 345 ? A -28.692 31.421 50.035 1.000 1 A 46.290 1 ATOM 2749 C CE2 . TYR 345 345 ? A -30.009 30.730 48.149 1.000 1 A 46.290 1 ATOM 2750 C CZ . TYR 345 345 ? A -29.475 31.732 48.939 1.000 1 A 46.290 1 ATOM 2751 O OH . TYR 345 345 ? A -29.728 33.051 48.633 1.000 1 A 46.290 1 ATOM 2752 N N . TYR 346 346 ? A -25.267 26.512 50.541 1.000 1 A 46.100 1 ATOM 2753 C CA . TYR 346 346 ? A -24.740 27.156 51.739 1.000 1 A 46.100 1 ATOM 2754 C C . TYR 346 346 ? A -23.408 26.540 52.149 1.000 1 A 46.100 1 ATOM 2755 O O . TYR 346 346 ? A -23.295 25.318 52.274 1.000 1 A 46.100 1 ATOM 2756 C CB . TYR 346 346 ? A -25.742 27.049 52.893 1.000 1 A 46.100 1 ATOM 2757 C CG . TYR 346 346 ? A -26.660 28.241 53.011 1.000 1 A 46.100 1 ATOM 2758 C CD1 . TYR 346 346 ? A -26.263 29.386 53.699 1.000 1 A 46.100 1 ATOM 2759 C CD2 . TYR 346 346 ? A -27.927 28.225 52.437 1.000 1 A 46.100 1 ATOM 2760 C CE1 . TYR 346 346 ? A -27.107 30.486 53.813 1.000 1 A 46.100 1 ATOM 2761 C CE2 . TYR 346 346 ? A -28.779 29.319 52.544 1.000 1 A 46.100 1 ATOM 2762 C CZ . TYR 346 346 ? A -28.361 30.443 53.232 1.000 1 A 46.100 1 ATOM 2763 O OH . TYR 346 346 ? A -29.201 31.529 53.342 1.000 1 A 46.100 1 ATOM 2764 N N . LEU 347 347 ? A -22.215 27.325 51.886 1.000 1 A 49.460 1 ATOM 2765 C CA . LEU 347 347 ? A -21.514 28.091 52.910 1.000 1 A 49.460 1 ATOM 2766 C C . LEU 347 347 ? A -20.302 27.323 53.429 1.000 1 A 49.460 1 ATOM 2767 O O . LEU 347 347 ? A -20.437 26.200 53.919 1.000 1 A 49.460 1 ATOM 2768 C CB . LEU 347 347 ? A -22.457 28.423 54.070 1.000 1 A 49.460 1 ATOM 2769 C CG . LEU 347 347 ? A -23.243 29.730 53.951 1.000 1 A 49.460 1 ATOM 2770 C CD1 . LEU 347 347 ? A -24.700 29.509 54.345 1.000 1 A 49.460 1 ATOM 2771 C CD2 . LEU 347 347 ? A -22.609 30.816 54.814 1.000 1 A 49.460 1 ATOM 2772 N N . SER 348 348 ? A -19.086 27.762 52.971 1.000 1 A 48.380 1 ATOM 2773 C CA . SER 348 348 ? A -18.100 28.463 53.786 1.000 1 A 48.380 1 ATOM 2774 C C . SER 348 348 ? A -16.746 27.762 53.740 1.000 1 A 48.380 1 ATOM 2775 O O . SER 348 348 ? A -16.604 26.642 54.233 1.000 1 A 48.380 1 ATOM 2776 C CB . SER 348 348 ? A -18.579 28.570 55.234 1.000 1 A 48.380 1 ATOM 2777 O OG . SER 348 348 ? A -19.922 29.018 55.288 1.000 1 A 48.380 1 ATOM 2778 N N . GLN 349 349 ? A -15.821 28.256 52.906 1.000 1 A 52.160 1 ATOM 2779 C CA . GLN 349 349 ? A -14.608 29.066 52.911 1.000 1 A 52.160 1 ATOM 2780 C C . GLN 349 349 ? A -13.428 28.285 53.482 1.000 1 A 52.160 1 ATOM 2781 O O . GLN 349 349 ? A -13.587 27.517 54.434 1.000 1 A 52.160 1 ATOM 2782 C CB . GLN 349 349 ? A -14.823 30.352 53.710 1.000 1 A 52.160 1 ATOM 2783 C CG . GLN 349 349 ? A -15.718 31.367 53.012 1.000 1 A 52.160 1 ATOM 2784 C CD . GLN 349 349 ? A -15.414 32.796 53.420 1.000 1 A 52.160 1 ATOM 2785 O OE1 . GLN 349 349 ? A -14.345 33.085 53.967 1.000 1 A 52.160 1 ATOM 2786 N NE2 . GLN 349 349 ? A -16.352 33.700 53.158 1.000 1 A 52.160 1 ATOM 2787 N N . PRO 350 350 ? A -12.080 28.844 53.297 1.000 1 A 50.330 1 ATOM 2788 C CA . PRO 350 350 ? A -10.919 29.383 52.586 1.000 1 A 50.330 1 ATOM 2789 C C . PRO 350 350 ? A -9.609 29.159 53.339 1.000 1 A 50.330 1 ATOM 2790 O O . PRO 350 350 ? A -9.623 28.728 54.494 1.000 1 A 50.330 1 ATOM 2791 C CB . PRO 350 350 ? A -11.236 30.876 52.473 1.000 1 A 50.330 1 ATOM 2792 C CG . PRO 350 350 ? A -11.949 31.212 53.743 1.000 1 A 50.330 1 ATOM 2793 C CD . PRO 350 350 ? A -12.195 29.940 54.503 1.000 1 A 50.330 1 ATOM 2794 N N . THR 351 351 ? A -8.374 29.007 52.612 1.000 1 A 47.180 1 ATOM 2795 C CA . THR 351 351 ? A -7.117 29.748 52.607 1.000 1 A 47.180 1 ATOM 2796 C C . THR 351 351 ? A -5.964 28.861 53.067 1.000 1 A 47.180 1 ATOM 2797 O O . THR 351 351 ? A -6.077 28.160 54.075 1.000 1 A 47.180 1 ATOM 2798 C CB . THR 351 351 ? A -7.201 30.995 53.508 1.000 1 A 47.180 1 ATOM 2799 O OG1 . THR 351 351 ? A -7.896 30.659 54.716 1.000 1 A 47.180 1 ATOM 2800 C CG2 . THR 351 351 ? A -7.940 32.130 52.809 1.000 1 A 47.180 1 ATOM 2801 N N . ALA 352 352 ? A -4.902 28.660 52.241 1.000 1 A 42.290 1 ATOM 2802 C CA . ALA 352 352 ? A -3.528 29.115 52.044 1.000 1 A 42.290 1 ATOM 2803 C C . ALA 352 352 ? A -2.560 28.335 52.928 1.000 1 A 42.290 1 ATOM 2804 O O . ALA 352 352 ? A -2.806 28.156 54.123 1.000 1 A 42.290 1 ATOM 2805 C CB . ALA 352 352 ? A -3.417 30.611 52.330 1.000 1 A 42.290 1 ATOM 2806 N N . SER 353 353 ? A -1.462 27.603 52.398 1.000 1 A 46.050 1 ATOM 2807 C CA . SER 353 353 ? A -0.094 27.815 52.858 1.000 1 A 46.050 1 ATOM 2808 C C . SER 353 353 ? A 0.805 26.643 52.479 1.000 1 A 46.050 1 ATOM 2809 O O . SER 353 353 ? A 0.478 25.488 52.759 1.000 1 A 46.050 1 ATOM 2810 C CB . SER 353 353 ? A -0.063 28.024 54.372 1.000 1 A 46.050 1 ATOM 2811 O OG . SER 353 353 ? A 0.549 29.261 54.697 1.000 1 A 46.050 1 ATOM 2812 N N . TYR 354 354 ? A 1.772 26.694 51.427 1.000 1 A 42.160 1 ATOM 2813 C CA . TYR 354 354 ? A 3.225 26.710 51.300 1.000 1 A 42.160 1 ATOM 2814 C C . TYR 354 354 ? A 3.841 25.463 51.923 1.000 1 A 42.160 1 ATOM 2815 O O . TYR 354 354 ? A 3.524 25.109 53.061 1.000 1 A 42.160 1 ATOM 2816 C CB . TYR 354 354 ? A 3.808 27.965 51.956 1.000 1 A 42.160 1 ATOM 2817 C CG . TYR 354 354 ? A 4.025 29.108 50.995 1.000 1 A 42.160 1 ATOM 2818 C CD1 . TYR 354 354 ? A 5.212 29.224 50.275 1.000 1 A 42.160 1 ATOM 2819 C CD2 . TYR 354 354 ? A 3.044 30.076 50.805 1.000 1 A 42.160 1 ATOM 2820 C CE1 . TYR 354 354 ? A 5.416 30.277 49.389 1.000 1 A 42.160 1 ATOM 2821 C CE2 . TYR 354 354 ? A 3.237 31.133 49.922 1.000 1 A 42.160 1 ATOM 2822 C CZ . TYR 354 354 ? A 4.425 31.225 49.220 1.000 1 A 42.160 1 ATOM 2823 O OH . TYR 354 354 ? A 4.622 32.269 48.344 1.000 1 A 42.160 1 ATOM 2824 N N . GLU 355 355 ? A 4.551 24.509 51.106 1.000 1 A 51.870 1 ATOM 2825 C CA . GLU 355 355 ? A 5.924 24.085 51.361 1.000 1 A 51.870 1 ATOM 2826 C C . GLU 355 355 ? A 6.215 22.736 50.709 1.000 1 A 51.870 1 ATOM 2827 O O . GLU 355 355 ? A 5.548 21.742 51.003 1.000 1 A 51.870 1 ATOM 2828 C CB . GLU 355 355 ? A 6.193 24.010 52.866 1.000 1 A 51.870 1 ATOM 2829 C CG . GLU 355 355 ? A 6.959 25.206 53.414 1.000 1 A 51.870 1 ATOM 2830 C CD . GLU 355 355 ? A 7.262 25.095 54.899 1.000 1 A 51.870 1 ATOM 2831 O OE1 . GLU 355 355 ? A 7.919 26.006 55.454 1.000 1 A 51.870 1 ATOM 2832 O OE2 . GLU 355 355 ? A 6.841 24.089 55.513 1.000 1 A 51.870 1 ATOM 2833 N N . ARG 356 356 ? A 6.767 22.648 49.432 1.000 1 A 51.950 1 ATOM 2834 C CA . ARG 356 356 ? A 7.908 22.060 48.737 1.000 1 A 51.950 1 ATOM 2835 C C . ARG 356 356 ? A 8.485 20.889 49.524 1.000 1 A 51.950 1 ATOM 2836 O O . ARG 356 356 ? A 8.676 20.985 50.739 1.000 1 A 51.950 1 ATOM 2837 C CB . ARG 356 356 ? A 8.991 23.114 48.494 1.000 1 A 51.950 1 ATOM 2838 C CG . ARG 356 356 ? A 9.864 22.831 47.282 1.000 1 A 51.950 1 ATOM 2839 C CD . ARG 356 356 ? A 10.783 24.003 46.963 1.000 1 A 51.950 1 ATOM 2840 N NE . ARG 356 356 ? A 11.459 23.824 45.682 1.000 1 A 51.950 1 ATOM 2841 C CZ . ARG 356 356 ? A 12.713 24.190 45.429 1.000 1 A 51.950 1 ATOM 2842 N NH1 . ARG 356 356 ? A 13.454 24.764 46.369 1.000 1 A 51.950 1 ATOM 2843 N NH2 . ARG 356 356 ? A 13.229 23.980 44.227 1.000 1 A 51.950 1 ATOM 2844 N N . PRO 357 357 ? A 9.220 19.787 48.767 1.000 1 A 57.750 1 ATOM 2845 C CA . PRO 357 357 ? A 9.359 18.393 48.339 1.000 1 A 57.750 1 ATOM 2846 C C . PRO 357 357 ? A 10.567 17.701 48.967 1.000 1 A 57.750 1 ATOM 2847 O O . PRO 357 357 ? A 11.349 18.339 49.676 1.000 1 A 57.750 1 ATOM 2848 C CB . PRO 357 357 ? A 9.522 18.505 46.821 1.000 1 A 57.750 1 ATOM 2849 C CG . PRO 357 357 ? A 10.303 19.762 46.612 1.000 1 A 57.750 1 ATOM 2850 C CD . PRO 357 357 ? A 10.455 20.454 47.936 1.000 1 A 57.750 1 ATOM 2851 N N . PRO 358 358 ? A 10.752 16.160 48.810 1.000 1 A 65.610 1 ATOM 2852 C CA . PRO 358 358 ? A 12.169 15.806 48.699 1.000 1 A 65.610 1 ATOM 2853 C C . PRO 358 358 ? A 12.431 14.747 47.630 1.000 1 A 65.610 1 ATOM 2854 O O . PRO 358 358 ? A 11.501 14.070 47.185 1.000 1 A 65.610 1 ATOM 2855 C CB . PRO 358 358 ? A 12.508 15.271 50.092 1.000 1 A 65.610 1 ATOM 2856 C CG . PRO 358 358 ? A 11.241 14.648 50.582 1.000 1 A 65.610 1 ATOM 2857 C CD . PRO 358 358 ? A 10.157 14.921 49.579 1.000 1 A 65.610 1 ATOM 2858 N N . PRO 359 359 ? A 13.745 14.597 47.160 1.000 1 A 54.560 1 ATOM 2859 C CA . PRO 359 359 ? A 14.904 14.344 46.300 1.000 1 A 54.560 1 ATOM 2860 C C . PRO 359 359 ? A 14.986 12.892 45.833 1.000 1 A 54.560 1 ATOM 2861 O O . PRO 359 359 ? A 14.566 11.983 46.553 1.000 1 A 54.560 1 ATOM 2862 C CB . PRO 359 359 ? A 16.092 14.696 47.199 1.000 1 A 54.560 1 ATOM 2863 C CG . PRO 359 359 ? A 15.668 14.286 48.572 1.000 1 A 54.560 1 ATOM 2864 C CD . PRO 359 359 ? A 14.229 13.859 48.519 1.000 1 A 54.560 1 ATOM 2865 N N . HIS 360 360 ? A 15.030 12.625 44.515 1.000 1 A 53.220 1 ATOM 2866 C CA . HIS 360 360 ? A 15.414 11.435 43.765 1.000 1 A 53.220 1 ATOM 2867 C C . HIS 360 360 ? A 16.689 10.816 44.329 1.000 1 A 53.220 1 ATOM 2868 O O . HIS 360 360 ? A 17.629 11.532 44.681 1.000 1 A 53.220 1 ATOM 2869 C CB . HIS 360 360 ? A 15.606 11.773 42.285 1.000 1 A 53.220 1 ATOM 2870 C CG . HIS 360 360 ? A 14.333 12.117 41.579 1.000 1 A 53.220 1 ATOM 2871 N ND1 . HIS 360 360 ? A 13.355 11.183 41.311 1.000 1 A 53.220 1 ATOM 2872 C CD2 . HIS 360 360 ? A 13.878 13.294 41.089 1.000 1 A 53.220 1 ATOM 2873 C CE1 . HIS 360 360 ? A 12.352 11.773 40.683 1.000 1 A 53.220 1 ATOM 2874 N NE2 . HIS 360 360 ? A 12.644 13.054 40.536 1.000 1 A 53.220 1 ATOM 2875 N N . PRO 361 361 ? A 16.855 9.402 44.285 1.000 1 A 69.610 1 ATOM 2876 C CA . PRO 361 361 ? A 18.215 8.872 44.162 1.000 1 A 69.610 1 ATOM 2877 C C . PRO 361 361 ? A 18.378 7.938 42.965 1.000 1 A 69.610 1 ATOM 2878 O O . PRO 361 361 ? A 17.484 7.138 42.675 1.000 1 A 69.610 1 ATOM 2879 C CB . PRO 361 361 ? A 18.419 8.114 45.477 1.000 1 A 69.610 1 ATOM 2880 C CG . PRO 361 361 ? A 17.038 7.788 45.948 1.000 1 A 69.610 1 ATOM 2881 C CD . PRO 361 361 ? A 16.056 8.579 45.132 1.000 1 A 69.610 1 ATOM 2882 N N . PHE 362 362 ? A 19.238 8.255 41.917 1.000 1 A 49.000 1 ATOM 2883 C CA . PHE 362 362 ? A 20.314 7.751 41.071 1.000 1 A 49.000 1 ATOM 2884 C C . PHE 362 362 ? A 21.004 6.560 41.725 1.000 1 A 49.000 1 ATOM 2885 O O . PHE 362 362 ? A 21.424 6.637 42.881 1.000 1 A 49.000 1 ATOM 2886 C CB . PHE 362 362 ? A 21.335 8.856 40.783 1.000 1 A 49.000 1 ATOM 2887 C CG . PHE 362 362 ? A 20.856 9.881 39.790 1.000 1 A 49.000 1 ATOM 2888 C CD1 . PHE 362 362 ? A 20.840 9.598 38.430 1.000 1 A 49.000 1 ATOM 2889 C CD2 . PHE 362 362 ? A 20.421 11.129 40.218 1.000 1 A 49.000 1 ATOM 2890 C CE1 . PHE 362 362 ? A 20.397 10.545 37.509 1.000 1 A 49.000 1 ATOM 2891 C CE2 . PHE 362 362 ? A 19.977 12.080 39.304 1.000 1 A 49.000 1 ATOM 2892 C CZ . PHE 362 362 ? A 19.967 11.787 37.950 1.000 1 A 49.000 1 ATOM 2893 N N . HIS 363 363 ? A 20.779 5.276 41.217 1.000 1 A 60.990 1 ATOM 2894 C CA . HIS 363 363 ? A 21.768 4.212 41.343 1.000 1 A 60.990 1 ATOM 2895 C C . HIS 363 363 ? A 21.903 3.428 40.042 1.000 1 A 60.990 1 ATOM 2896 O O . HIS 363 363 ? A 20.919 2.886 39.533 1.000 1 A 60.990 1 ATOM 2897 C CB . HIS 363 363 ? A 21.397 3.268 42.488 1.000 1 A 60.990 1 ATOM 2898 C CG . HIS 363 363 ? A 22.259 3.428 43.701 1.000 1 A 60.990 1 ATOM 2899 N ND1 . HIS 363 363 ? A 22.263 4.576 44.464 1.000 1 A 60.990 1 ATOM 2900 C CD2 . HIS 363 363 ? A 23.142 2.582 44.282 1.000 1 A 60.990 1 ATOM 2901 C CE1 . HIS 363 363 ? A 23.115 4.428 45.465 1.000 1 A 60.990 1 ATOM 2902 N NE2 . HIS 363 363 ? A 23.661 3.227 45.377 1.000 1 A 60.990 1 ATOM 2903 N N . HIS 364 364 ? A 23.026 3.642 39.187 1.000 1 A 62.590 1 ATOM 2904 C CA . HIS 364 364 ? A 24.336 3.145 38.783 1.000 1 A 62.590 1 ATOM 2905 C C . HIS 364 364 ? A 24.285 1.656 38.459 1.000 1 A 62.590 1 ATOM 2906 O O . HIS 364 364 ? A 23.849 0.851 39.286 1.000 1 A 62.590 1 ATOM 2907 C CB . HIS 364 364 ? A 25.370 3.408 39.880 1.000 1 A 62.590 1 ATOM 2908 C CG . HIS 364 364 ? A 25.959 4.782 39.832 1.000 1 A 62.590 1 ATOM 2909 N ND1 . HIS 364 364 ? A 26.496 5.322 38.683 1.000 1 A 62.590 1 ATOM 2910 C CD2 . HIS 364 364 ? A 26.091 5.727 40.793 1.000 1 A 62.590 1 ATOM 2911 C CE1 . HIS 364 364 ? A 26.936 6.542 38.941 1.000 1 A 62.590 1 ATOM 2912 N NE2 . HIS 364 364 ? A 26.701 6.812 40.214 1.000 1 A 62.590 1 ATOM 2913 N N . ASN 365 365 ? A 24.257 1.187 37.273 1.000 1 A 57.860 1 ATOM 2914 C CA . ASN 365 365 ? A 25.187 0.175 36.782 1.000 1 A 57.860 1 ATOM 2915 C C . ASN 365 365 ? A 26.095 0.731 35.689 1.000 1 A 57.860 1 ATOM 2916 O O . ASN 365 365 ? A 25.614 1.204 34.658 1.000 1 A 57.860 1 ATOM 2917 C CB . ASN 365 365 ? A 24.426 -1.050 36.270 1.000 1 A 57.860 1 ATOM 2918 C CG . ASN 365 365 ? A 24.630 -2.272 37.142 1.000 1 A 57.860 1 ATOM 2919 O OD1 . ASN 365 365 ? A 25.192 -2.182 38.237 1.000 1 A 57.860 1 ATOM 2920 N ND2 . ASN 365 365 ? A 24.175 -3.425 36.665 1.000 1 A 57.860 1 ATOM 2921 N N . PRO 366 366 ? A 27.467 0.644 35.932 1.000 1 A 56.330 1 ATOM 2922 C CA . PRO 366 366 ? A 28.702 0.785 35.157 1.000 1 A 56.330 1 ATOM 2923 C C . PRO 366 366 ? A 29.246 -0.554 34.665 1.000 1 A 56.330 1 ATOM 2924 O O . PRO 366 366 ? A 28.913 -1.602 35.223 1.000 1 A 56.330 1 ATOM 2925 C CB . PRO 366 366 ? A 29.669 1.437 36.149 1.000 1 A 56.330 1 ATOM 2926 C CG . PRO 366 366 ? A 29.293 0.867 37.479 1.000 1 A 56.330 1 ATOM 2927 C CD . PRO 366 366 ? A 28.012 0.098 37.323 1.000 1 A 56.330 1 ATOM 2928 N N . MET 367 367 ? A 29.502 -0.672 33.333 1.000 1 A 53.970 1 ATOM 2929 C CA . MET 367 367 ? A 30.838 -1.192 33.059 1.000 1 A 53.970 1 ATOM 2930 C C . MET 367 367 ? A 30.828 -2.101 31.835 1.000 1 A 53.970 1 ATOM 2931 O O . MET 367 367 ? A 30.051 -3.056 31.772 1.000 1 A 53.970 1 ATOM 2932 C CB . MET 367 367 ? A 31.380 -1.952 34.270 1.000 1 A 53.970 1 ATOM 2933 C CG . MET 367 367 ? A 32.853 -1.698 34.546 1.000 1 A 53.970 1 ATOM 2934 S SD . MET 367 367 ? A 33.346 -2.192 36.243 1.000 1 A 53.970 1 ATOM 2935 C CE . MET 367 367 ? A 33.990 -3.857 35.917 1.000 1 A 53.970 1 ATOM 2936 N N . MET 368 368 ? A 31.344 -1.636 30.575 1.000 1 A 57.140 1 ATOM 2937 C CA . MET 368 368 ? A 32.562 -2.042 29.881 1.000 1 A 57.140 1 ATOM 2938 C C . MET 368 368 ? A 32.455 -1.764 28.385 1.000 1 A 57.140 1 ATOM 2939 O O . MET 368 368 ? A 31.502 -2.199 27.735 1.000 1 A 57.140 1 ATOM 2940 C CB . MET 368 368 ? A 32.848 -3.526 30.117 1.000 1 A 57.140 1 ATOM 2941 C CG . MET 368 368 ? A 33.364 -3.836 31.513 1.000 1 A 57.140 1 ATOM 2942 S SD . MET 368 368 ? A 35.195 -3.941 31.578 1.000 1 A 57.140 1 ATOM 2943 C CE . MET 368 368 ? A 35.397 -5.230 32.838 1.000 1 A 57.140 1 ATOM 2944 N N . GLY 369 369 ? A 33.023 -0.641 27.821 1.000 1 A 48.780 1 ATOM 2945 C CA . GLY 369 369 ? A 34.226 -0.472 27.021 1.000 1 A 48.780 1 ATOM 2946 C C . GLY 369 369 ? A 33.994 -0.694 25.539 1.000 1 A 48.780 1 ATOM 2947 O O . GLY 369 369 ? A 33.490 -1.743 25.134 1.000 1 A 48.780 1 ATOM 2948 N N . TYR 370 370 ? A 33.755 0.362 24.714 1.000 1 A 53.140 1 ATOM 2949 C CA . TYR 370 370 ? A 34.525 0.762 23.542 1.000 1 A 53.140 1 ATOM 2950 C C . TYR 370 370 ? A 33.774 1.808 22.726 1.000 1 A 53.140 1 ATOM 2951 O O . TYR 370 370 ? A 32.571 1.674 22.491 1.000 1 A 53.140 1 ATOM 2952 C CB . TYR 370 370 ? A 34.842 -0.454 22.666 1.000 1 A 53.140 1 ATOM 2953 C CG . TYR 370 370 ? A 35.695 -1.492 23.355 1.000 1 A 53.140 1 ATOM 2954 C CD1 . TYR 370 370 ? A 37.076 -1.335 23.449 1.000 1 A 53.140 1 ATOM 2955 C CD2 . TYR 370 370 ? A 35.123 -2.631 23.911 1.000 1 A 53.140 1 ATOM 2956 C CE1 . TYR 370 370 ? A 37.867 -2.289 24.081 1.000 1 A 53.140 1 ATOM 2957 C CE2 . TYR 370 370 ? A 35.904 -3.592 24.545 1.000 1 A 53.140 1 ATOM 2958 C CZ . TYR 370 370 ? A 37.272 -3.412 24.625 1.000 1 A 53.140 1 ATOM 2959 O OH . TYR 370 370 ? A 38.050 -4.360 25.251 1.000 1 A 53.140 1 ATOM 2960 N N . ASP 371 371 ? A 34.121 3.089 22.777 1.000 1 A 43.990 1 ATOM 2961 C CA . ASP 371 371 ? A 34.702 4.135 21.941 1.000 1 A 43.990 1 ATOM 2962 C C . ASP 371 371 ? A 34.050 4.160 20.560 1.000 1 A 43.990 1 ATOM 2963 O O . ASP 371 371 ? A 34.111 3.174 19.822 1.000 1 A 43.990 1 ATOM 2964 C CB . ASP 371 371 ? A 36.213 3.938 21.807 1.000 1 A 43.990 1 ATOM 2965 C CG . ASP 371 371 ? A 36.951 5.222 21.469 1.000 1 A 43.990 1 ATOM 2966 O OD1 . ASP 371 371 ? A 36.294 6.255 21.219 1.000 1 A 43.990 1 ATOM 2967 O OD2 . ASP 371 371 ? A 38.200 5.199 21.450 1.000 1 A 43.990 1 ATOM 2968 N N . MET 372 372 ? A 32.872 4.938 20.358 1.000 1 A 56.370 1 ATOM 2969 C CA . MET 372 372 ? A 32.719 5.666 19.102 1.000 1 A 56.370 1 ATOM 2970 C C . MET 372 372 ? A 31.450 6.511 19.113 1.000 1 A 56.370 1 ATOM 2971 O O . MET 372 372 ? A 30.366 6.007 19.413 1.000 1 A 56.370 1 ATOM 2972 C CB . MET 372 372 ? A 32.692 4.697 17.918 1.000 1 A 56.370 1 ATOM 2973 C CG . MET 372 372 ? A 34.018 3.995 17.671 1.000 1 A 56.370 1 ATOM 2974 S SD . MET 372 372 ? A 34.370 3.768 15.884 1.000 1 A 56.370 1 ATOM 2975 C CE . MET 372 372 ? A 34.858 2.021 15.873 1.000 1 A 56.370 1 ATOM 2976 N N . LYS 373 373 ? A 31.549 7.771 19.443 1.000 1 A 53.160 1 ATOM 2977 C CA . LYS 373 373 ? A 31.219 9.080 18.887 1.000 1 A 53.160 1 ATOM 2978 C C . LYS 373 373 ? A 29.747 9.154 18.491 1.000 1 A 53.160 1 ATOM 2979 O O . LYS 373 373 ? A 29.254 8.298 17.754 1.000 1 A 53.160 1 ATOM 2980 C CB . LYS 373 373 ? A 32.103 9.389 17.679 1.000 1 A 53.160 1 ATOM 2981 C CG . LYS 373 373 ? A 33.504 9.859 18.041 1.000 1 A 53.160 1 ATOM 2982 C CD . LYS 373 373 ? A 34.322 10.189 16.798 1.000 1 A 53.160 1 ATOM 2983 C CE . LYS 373 373 ? A 35.767 10.514 17.149 1.000 1 A 53.160 1 ATOM 2984 N NZ . LYS 373 373 ? A 36.477 11.179 16.015 1.000 1 A 53.160 1 ATOM 2985 N N . VAL 374 374 ? A 28.870 9.781 19.282 1.000 1 A 45.490 1 ATOM 2986 C CA . VAL 374 374 ? A 27.990 10.943 19.346 1.000 1 A 45.490 1 ATOM 2987 C C . VAL 374 374 ? A 27.181 11.052 18.055 1.000 1 A 45.490 1 ATOM 2988 O O . VAL 374 374 ? A 27.748 11.060 16.960 1.000 1 A 45.490 1 ATOM 2989 C CB . VAL 374 374 ? A 28.786 12.245 19.588 1.000 1 A 45.490 1 ATOM 2990 C CG1 . VAL 374 374 ? A 27.841 13.437 19.729 1.000 1 A 45.490 1 ATOM 2991 C CG2 . VAL 374 374 ? A 29.668 12.109 20.828 1.000 1 A 45.490 1 ATOM 2992 N N . VAL 375 375 ? A 25.900 10.618 18.113 1.000 1 A 52.050 1 ATOM 2993 C CA . VAL 375 375 ? A 24.835 11.507 17.661 1.000 1 A 52.050 1 ATOM 2994 C C . VAL 375 375 ? A 23.479 10.834 17.865 1.000 1 A 52.050 1 ATOM 2995 O O . VAL 375 375 ? A 23.256 9.718 17.391 1.000 1 A 52.050 1 ATOM 2996 C CB . VAL 375 375 ? A 25.016 11.902 16.178 1.000 1 A 52.050 1 ATOM 2997 C CG1 . VAL 375 375 ? A 23.880 12.814 15.720 1.000 1 A 52.050 1 ATOM 2998 C CG2 . VAL 375 375 ? A 26.368 12.581 15.969 1.000 1 A 52.050 1 ATOM 2999 N N . MET 376 376 ? A 22.821 11.035 19.026 1.000 1 A 48.830 1 ATOM 3000 C CA . MET 376 376 ? A 21.454 11.221 19.506 1.000 1 A 48.830 1 ATOM 3001 C C . MET 376 376 ? A 20.611 11.961 18.473 1.000 1 A 48.830 1 ATOM 3002 O O . MET 376 376 ? A 20.983 13.046 18.024 1.000 1 A 48.830 1 ATOM 3003 C CB . MET 376 376 ? A 21.447 11.984 20.831 1.000 1 A 48.830 1 ATOM 3004 C CG . MET 376 376 ? A 21.416 11.086 22.057 1.000 1 A 48.830 1 ATOM 3005 S SD . MET 376 376 ? A 19.724 10.491 22.449 1.000 1 A 48.830 1 ATOM 3006 C CE . MET 376 376 ? A 19.455 11.319 24.041 1.000 1 A 48.830 1 ATOM 3007 N N . GLY 377 377 ? A 19.651 11.222 17.759 1.000 1 A 54.020 1 ATOM 3008 C CA . GLY 377 377 ? A 18.229 11.512 17.855 1.000 1 A 54.020 1 ATOM 3009 C C . GLY 377 377 ? A 17.522 11.481 16.513 1.000 1 A 54.020 1 ATOM 3010 O O . GLY 377 377 ? A 18.028 12.020 15.526 1.000 1 A 54.020 1 ATOM 3011 N N . GLY 378 378 ? A 16.706 10.474 16.255 1.000 1 A 61.350 1 ATOM 3012 C CA . GLY 378 378 ? A 15.314 10.100 16.065 1.000 1 A 61.350 1 ATOM 3013 C C . GLY 378 378 ? A 14.657 10.817 14.900 1.000 1 A 61.350 1 ATOM 3014 O O . GLY 378 378 ? A 14.986 11.969 14.608 1.000 1 A 61.350 1 ATOM 3015 N N . PRO 379 379 ? A 13.746 10.139 14.127 1.000 1 A 50.860 1 ATOM 3016 C CA . PRO 379 379 ? A 13.025 10.562 12.924 1.000 1 A 50.860 1 ATOM 3017 C C . PRO 379 379 ? A 11.649 11.145 13.236 1.000 1 A 50.860 1 ATOM 3018 O O . PRO 379 379 ? A 10.972 10.680 14.157 1.000 1 A 50.860 1 ATOM 3019 C CB . PRO 379 379 ? A 12.899 9.268 12.115 1.000 1 A 50.860 1 ATOM 3020 C CG . PRO 379 379 ? A 12.779 8.187 13.140 1.000 1 A 50.860 1 ATOM 3021 C CD . PRO 379 379 ? A 12.941 8.800 14.501 1.000 1 A 50.860 1 ATOM 3022 N N . SER 380 380 ? A 11.368 12.372 12.764 1.000 1 A 47.610 1 ATOM 3023 C CA . SER 380 380 ? A 10.386 12.881 11.813 1.000 1 A 47.610 1 ATOM 3024 C C . SER 380 380 ? A 9.465 13.908 12.464 1.000 1 A 47.610 1 ATOM 3025 O O . SER 380 380 ? A 8.832 13.623 13.483 1.000 1 A 47.610 1 ATOM 3026 C CB . SER 380 380 ? A 9.556 11.735 11.234 1.000 1 A 47.610 1 ATOM 3027 O OG . SER 380 380 ? A 8.832 12.164 10.093 1.000 1 A 47.610 1 ATOM 3028 N N . GLY 381 381 ? A 9.649 15.209 12.083 1.000 1 A 52.790 1 ATOM 3029 C CA . GLY 381 381 ? A 8.540 16.087 11.745 1.000 1 A 52.790 1 ATOM 3030 C C . GLY 381 381 ? A 8.981 17.493 11.383 1.000 1 A 52.790 1 ATOM 3031 O O . GLY 381 381 ? A 9.872 18.054 12.024 1.000 1 A 52.790 1 ATOM 3032 N N . TYR 382 382 ? A 8.933 17.931 10.063 1.000 1 A 44.130 1 ATOM 3033 C CA . TYR 382 382 ? A 8.448 19.011 9.211 1.000 1 A 44.130 1 ATOM 3034 C C . TYR 382 382 ? A 8.525 20.351 9.933 1.000 1 A 44.130 1 ATOM 3035 O O . TYR 382 382 ? A 8.118 20.464 11.092 1.000 1 A 44.130 1 ATOM 3036 C CB . TYR 382 382 ? A 7.008 18.740 8.766 1.000 1 A 44.130 1 ATOM 3037 C CG . TYR 382 382 ? A 6.876 17.575 7.815 1.000 1 A 44.130 1 ATOM 3038 C CD1 . TYR 382 382 ? A 7.151 17.724 6.457 1.000 1 A 44.130 1 ATOM 3039 C CD2 . TYR 382 382 ? A 6.476 16.324 8.271 1.000 1 A 44.130 1 ATOM 3040 C CE1 . TYR 382 382 ? A 7.028 16.654 5.577 1.000 1 A 44.130 1 ATOM 3041 C CE2 . TYR 382 382 ? A 6.351 15.247 7.400 1.000 1 A 44.130 1 ATOM 3042 C CZ . TYR 382 382 ? A 6.629 15.421 6.057 1.000 1 A 44.130 1 ATOM 3043 O OH . TYR 382 382 ? A 6.507 14.359 5.190 1.000 1 A 44.130 1 ATOM 3044 N N . THR 383 383 ? A 9.342 21.299 9.376 1.000 1 A 46.990 1 ATOM 3045 C CA . THR 383 383 ? A 8.995 22.566 8.741 1.000 1 A 46.990 1 ATOM 3046 C C . THR 383 383 ? A 9.898 23.688 9.245 1.000 1 A 46.990 1 ATOM 3047 O O . THR 383 383 ? A 10.154 23.795 10.446 1.000 1 A 46.990 1 ATOM 3048 C CB . THR 383 383 ? A 7.522 22.934 8.997 1.000 1 A 46.990 1 ATOM 3049 O OG1 . THR 383 383 ? A 7.269 22.913 10.407 1.000 1 A 46.990 1 ATOM 3050 C CG2 . THR 383 383 ? A 6.582 21.950 8.308 1.000 1 A 46.990 1 ATOM 3051 N N . LEU 384 384 ? A 10.702 24.247 8.323 1.000 1 A 52.250 1 ATOM 3052 C CA . LEU 384 384 ? A 10.734 25.569 7.707 1.000 1 A 52.250 1 ATOM 3053 C C . LEU 384 384 ? A 11.717 26.483 8.431 1.000 1 A 52.250 1 ATOM 3054 O O . LEU 384 384 ? A 11.585 26.714 9.635 1.000 1 A 52.250 1 ATOM 3055 C CB . LEU 384 384 ? A 9.338 26.197 7.710 1.000 1 A 52.250 1 ATOM 3056 C CG . LEU 384 384 ? A 8.533 26.068 6.416 1.000 1 A 52.250 1 ATOM 3057 C CD1 . LEU 384 384 ? A 7.082 25.715 6.727 1.000 1 A 52.250 1 ATOM 3058 C CD2 . LEU 384 384 ? A 8.613 27.356 5.605 1.000 1 A 52.250 1 ATOM 3059 N N . SER 385 385 ? A 12.868 26.782 7.803 1.000 1 A 51.830 1 ATOM 3060 C CA . SER 385 385 ? A 13.669 27.762 7.078 1.000 1 A 51.830 1 ATOM 3061 C C . SER 385 385 ? A 13.875 29.028 7.904 1.000 1 A 51.830 1 ATOM 3062 O O . SER 385 385 ? A 12.913 29.606 8.414 1.000 1 A 51.830 1 ATOM 3063 C CB . SER 385 385 ? A 13.006 28.116 5.745 1.000 1 A 51.830 1 ATOM 3064 O OG . SER 385 385 ? A 13.914 27.945 4.671 1.000 1 A 51.830 1 ATOM 3065 N N . GLN 386 386 ? A 15.165 29.200 8.430 1.000 1 A 60.450 1 ATOM 3066 C CA . GLN 386 386 ? A 15.785 30.493 8.163 1.000 1 A 60.450 1 ATOM 3067 C C . GLN 386 386 ? A 17.271 30.474 8.510 1.000 1 A 60.450 1 ATOM 3068 O O . GLN 386 386 ? A 17.680 29.821 9.472 1.000 1 A 60.450 1 ATOM 3069 C CB . GLN 386 386 ? A 15.078 31.600 8.947 1.000 1 A 60.450 1 ATOM 3070 C CG . GLN 386 386 ? A 13.623 31.805 8.545 1.000 1 A 60.450 1 ATOM 3071 C CD . GLN 386 386 ? A 13.198 33.261 8.603 1.000 1 A 60.450 1 ATOM 3072 O OE1 . GLN 386 386 ? A 13.984 34.137 8.977 1.000 1 A 60.450 1 ATOM 3073 N NE2 . GLN 386 386 ? A 11.950 33.529 8.235 1.000 1 A 60.450 1 ATOM 3074 N N . PRO 387 387 ? A 18.098 31.447 7.928 1.000 1 A 49.580 1 ATOM 3075 C CA . PRO 387 387 ? A 19.021 32.079 6.983 1.000 1 A 49.580 1 ATOM 3076 C C . PRO 387 387 ? A 20.437 32.209 7.538 1.000 1 A 49.580 1 ATOM 3077 O O . PRO 387 387 ? A 20.615 32.452 8.735 1.000 1 A 49.580 1 ATOM 3078 C CB . PRO 387 387 ? A 18.397 33.457 6.750 1.000 1 A 49.580 1 ATOM 3079 C CG . PRO 387 387 ? A 17.720 33.793 8.039 1.000 1 A 49.580 1 ATOM 3080 C CD . PRO 387 387 ? A 17.805 32.601 8.948 1.000 1 A 49.580 1 ATOM 3081 N N . ILE 388 388 ? A 21.506 31.842 6.696 1.000 1 A 52.400 1 ATOM 3082 C CA . ILE 388 388 ? A 22.943 31.832 6.448 1.000 1 A 52.400 1 ATOM 3083 C C . ILE 388 388 ? A 23.543 33.182 6.832 1.000 1 A 52.400 1 ATOM 3084 O O . ILE 388 388 ? A 22.990 34.232 6.496 1.000 1 A 52.400 1 ATOM 3085 C CB . ILE 388 388 ? A 23.259 31.505 4.971 1.000 1 A 52.400 1 ATOM 3086 C CG1 . ILE 388 388 ? A 22.503 30.248 4.528 1.000 1 A 52.400 1 ATOM 3087 C CG2 . ILE 388 388 ? A 24.768 31.338 4.766 1.000 1 A 52.400 1 ATOM 3088 C CD1 . ILE 388 388 ? A 22.726 29.873 3.069 1.000 1 A 52.400 1 ATOM 3089 N N . PRO 389 389 ? A 24.842 33.108 7.497 1.000 1 A 50.680 1 ATOM 3090 C CA . PRO 389 389 ? A 25.848 34.056 7.011 1.000 1 A 50.680 1 ATOM 3091 C C . PRO 389 389 ? A 27.271 33.512 7.118 1.000 1 A 50.680 1 ATOM 3092 O O . PRO 389 389 ? A 27.625 32.892 8.124 1.000 1 A 50.680 1 ATOM 3093 C CB . PRO 389 389 ? A 25.658 35.270 7.924 1.000 1 A 50.680 1 ATOM 3094 C CG . PRO 389 389 ? A 25.023 34.722 9.161 1.000 1 A 50.680 1 ATOM 3095 C CD . PRO 389 389 ? A 24.802 33.249 8.972 1.000 1 A 50.680 1 ATOM 3096 N N . MET 390 390 ? A 28.099 33.595 5.998 1.000 1 A 44.540 1 ATOM 3097 C CA . MET 390 390 ? A 29.291 34.072 5.302 1.000 1 A 44.540 1 ATOM 3098 C C . MET 390 390 ? A 30.555 33.703 6.072 1.000 1 A 44.540 1 ATOM 3099 O O . MET 390 390 ? A 30.682 34.025 7.255 1.000 1 A 44.540 1 ATOM 3100 C CB . MET 390 390 ? A 29.226 35.586 5.098 1.000 1 A 44.540 1 ATOM 3101 C CG . MET 390 390 ? A 28.774 35.999 3.707 1.000 1 A 44.540 1 ATOM 3102 S SD . MET 390 390 ? A 30.059 36.944 2.801 1.000 1 A 44.540 1 ATOM 3103 C CE . MET 390 390 ? A 29.695 38.622 3.386 1.000 1 A 44.540 1 ATOM 3104 N N . GLY 391 391 ? A 31.403 32.806 5.536 1.000 1 A 51.540 1 ATOM 3105 C CA . GLY 391 391 ? A 32.819 33.066 5.333 1.000 1 A 51.540 1 ATOM 3106 C C . GLY 391 391 ? A 33.687 31.840 5.541 1.000 1 A 51.540 1 ATOM 3107 O O . GLY 391 391 ? A 33.507 31.102 6.512 1.000 1 A 51.540 1 ATOM 3108 N N . MET 392 392 ? A 34.229 31.215 4.445 1.000 1 A 44.330 1 ATOM 3109 C CA . MET 392 392 ? A 35.612 31.096 3.992 1.000 1 A 44.330 1 ATOM 3110 C C . MET 392 392 ? A 36.109 29.661 4.131 1.000 1 A 44.330 1 ATOM 3111 O O . MET 392 392 ? A 35.957 29.046 5.188 1.000 1 A 44.330 1 ATOM 3112 C CB . MET 392 392 ? A 36.520 32.042 4.780 1.000 1 A 44.330 1 ATOM 3113 C CG . MET 392 392 ? A 36.230 33.514 4.537 1.000 1 A 44.330 1 ATOM 3114 S SD . MET 392 392 ? A 37.729 34.561 4.690 1.000 1 A 44.330 1 ATOM 3115 C CE . MET 392 392 ? A 38.457 34.320 3.045 1.000 1 A 44.330 1 ATOM 3116 N N . TYR 393 393 ? A 36.263 28.838 3.005 1.000 1 A 47.990 1 ATOM 3117 C CA . TYR 393 393 ? A 37.446 28.143 2.510 1.000 1 A 47.990 1 ATOM 3118 C C . TYR 393 393 ? A 37.098 26.730 2.056 1.000 1 A 47.990 1 ATOM 3119 O O . TYR 393 393 ? A 36.454 25.977 2.790 1.000 1 A 47.990 1 ATOM 3120 C CB . TYR 393 393 ? A 38.531 28.092 3.590 1.000 1 A 47.990 1 ATOM 3121 C CG . TYR 393 393 ? A 39.582 29.166 3.445 1.000 1 A 47.990 1 ATOM 3122 C CD1 . TYR 393 393 ? A 40.719 28.955 2.668 1.000 1 A 47.990 1 ATOM 3123 C CD2 . TYR 393 393 ? A 39.440 30.393 4.084 1.000 1 A 47.990 1 ATOM 3124 C CE1 . TYR 393 393 ? A 41.691 29.941 2.533 1.000 1 A 47.990 1 ATOM 3125 C CE2 . TYR 393 393 ? A 40.406 31.386 3.957 1.000 1 A 47.990 1 ATOM 3126 C CZ . TYR 393 393 ? A 41.526 31.151 3.180 1.000 1 A 47.990 1 ATOM 3127 O OH . TYR 393 393 ? A 42.485 32.131 3.050 1.000 1 A 47.990 1 ATOM 3128 N N . SER 394 394 ? A 37.031 26.455 0.739 1.000 1 A 48.980 1 ATOM 3129 C CA . SER 394 394 ? A 37.944 25.766 -0.167 1.000 1 A 48.980 1 ATOM 3130 C C . SER 394 394 ? A 37.624 24.277 -0.249 1.000 1 A 48.980 1 ATOM 3131 O O . SER 394 394 ? A 37.473 23.612 0.778 1.000 1 A 48.980 1 ATOM 3132 C CB . SER 394 394 ? A 39.393 25.960 0.282 1.000 1 A 48.980 1 ATOM 3133 O OG . SER 394 394 ? A 40.092 26.799 -0.622 1.000 1 A 48.980 1 ATOM 3134 N N . GLY 395 395 ? A 36.954 23.869 -1.296 1.000 1 A 49.230 1 ATOM 3135 C CA . GLY 395 395 ? A 37.502 22.897 -2.229 1.000 1 A 49.230 1 ATOM 3136 C C . GLY 395 395 ? A 36.588 21.709 -2.459 1.000 1 A 49.230 1 ATOM 3137 O O . GLY 395 395 ? A 36.050 21.140 -1.507 1.000 1 A 49.230 1 ATOM 3138 N N . GLY 396 396 ? A 35.837 21.718 -3.534 1.000 1 A 53.940 1 ATOM 3139 C CA . GLY 396 396 ? A 36.017 20.796 -4.644 1.000 1 A 53.940 1 ATOM 3140 C C . GLY 396 396 ? A 34.995 19.676 -4.662 1.000 1 A 53.940 1 ATOM 3141 O O . GLY 396 396 ? A 34.721 19.061 -3.629 1.000 1 A 53.940 1 ATOM 3142 N N . GLY 397 397 ? A 33.928 19.802 -5.417 1.000 1 A 49.410 1 ATOM 3143 C CA . GLY 397 397 ? A 33.715 18.827 -6.475 1.000 1 A 49.410 1 ATOM 3144 C C . GLY 397 397 ? A 32.353 18.163 -6.410 1.000 1 A 49.410 1 ATOM 3145 O O . GLY 397 397 ? A 31.936 17.693 -5.350 1.000 1 A 49.410 1 ATOM 3146 N N . GLY 398 398 ? A 31.329 18.668 -7.127 1.000 1 A 54.590 1 ATOM 3147 C CA . GLY 398 398 ? A 30.610 17.759 -8.004 1.000 1 A 54.590 1 ATOM 3148 C C . GLY 398 398 ? A 29.196 18.217 -8.310 1.000 1 A 54.590 1 ATOM 3149 O O . GLY 398 398 ? A 28.429 18.532 -7.398 1.000 1 A 54.590 1 ATOM 3150 N N . GLY 399 399 ? A 29.072 18.998 -9.428 1.000 1 A 56.660 1 ATOM 3151 C CA . GLY 399 399 ? A 28.490 18.997 -10.760 1.000 1 A 56.660 1 ATOM 3152 C C . GLY 399 399 ? A 27.010 18.661 -10.765 1.000 1 A 56.660 1 ATOM 3153 O O . GLY 399 399 ? A 26.613 17.577 -10.331 1.000 1 A 56.660 1 ATOM 3154 N N . GLY 400 400 ? A 26.163 19.590 -10.649 1.000 1 A 48.660 1 ATOM 3155 C CA . GLY 400 400 ? A 24.912 20.161 -11.124 1.000 1 A 48.660 1 ATOM 3156 C C . GLY 400 400 ? A 24.872 20.341 -12.630 1.000 1 A 48.660 1 ATOM 3157 O O . GLY 400 400 ? A 25.867 20.740 -13.239 1.000 1 A 48.660 1 ATOM 3158 N N . GLY 401 401 ? A 24.020 19.594 -13.403 1.000 1 A 53.560 1 ATOM 3159 C CA . GLY 401 401 ? A 23.035 20.363 -14.147 1.000 1 A 53.560 1 ATOM 3160 C C . GLY 401 401 ? A 22.662 19.728 -15.473 1.000 1 A 53.560 1 ATOM 3161 O O . GLY 401 401 ? A 23.526 19.216 -16.188 1.000 1 A 53.560 1 ATOM 3162 N N . GLY 402 402 ? A 21.503 19.161 -15.567 1.000 1 A 53.170 1 ATOM 3163 C CA . GLY 402 402 ? A 20.354 19.810 -16.179 1.000 1 A 53.170 1 ATOM 3164 C C . GLY 402 402 ? A 20.415 19.826 -17.694 1.000 1 A 53.170 1 ATOM 3165 O O . GLY 402 402 ? A 21.469 20.092 -18.276 1.000 1 A 53.170 1 ATOM 3166 N N . ARG 403 403 ? A 19.666 18.975 -18.322 1.000 1 A 52.240 1 ATOM 3167 C CA . ARG 403 403 ? A 18.516 19.008 -19.220 1.000 1 A 52.240 1 ATOM 3168 C C . ARG 403 403 ? A 18.613 20.180 -20.191 1.000 1 A 52.240 1 ATOM 3169 O O . ARG 403 403 ? A 18.834 21.319 -19.777 1.000 1 A 52.240 1 ATOM 3170 C CB . ARG 403 403 ? A 17.213 19.095 -18.422 1.000 1 A 52.240 1 ATOM 3171 C CG . ARG 403 403 ? A 16.771 17.771 -17.819 1.000 1 A 52.240 1 ATOM 3172 C CD . ARG 403 403 ? A 15.364 17.856 -17.244 1.000 1 A 52.240 1 ATOM 3173 N NE . ARG 403 403 ? A 14.974 16.611 -16.587 1.000 1 A 52.240 1 ATOM 3174 C CZ . ARG 403 403 ? A 13.722 16.184 -16.455 1.000 1 A 52.240 1 ATOM 3175 N NH1 . ARG 403 403 ? A 12.708 16.896 -16.934 1.000 1 A 52.240 1 ATOM 3176 N NH2 . ARG 403 403 ? A 13.480 15.035 -15.840 1.000 1 A 52.240 1 ATOM 3177 N N . GLY 404 404 ? A 18.970 19.941 -21.440 1.000 1 A 54.360 1 ATOM 3178 C CA . GLY 404 404 ? A 18.283 20.740 -22.441 1.000 1 A 54.360 1 ATOM 3179 C C . GLY 404 404 ? A 18.734 20.439 -23.858 1.000 1 A 54.360 1 ATOM 3180 O O . GLY 404 404 ? A 19.931 20.303 -24.118 1.000 1 A 54.360 1 ATOM 3181 N N . LYS 405 405 ? A 17.939 19.650 -24.616 1.000 1 A 53.130 1 ATOM 3182 C CA . LYS 405 405 ? A 17.122 19.770 -25.820 1.000 1 A 53.130 1 ATOM 3183 C C . LYS 405 405 ? A 17.861 20.537 -26.912 1.000 1 A 53.130 1 ATOM 3184 O O . LYS 405 405 ? A 18.422 21.605 -26.658 1.000 1 A 53.130 1 ATOM 3185 C CB . LYS 405 405 ? A 15.795 20.461 -25.501 1.000 1 A 53.130 1 ATOM 3186 C CG . LYS 405 405 ? A 14.847 19.622 -24.658 1.000 1 A 53.130 1 ATOM 3187 C CD . LYS 405 405 ? A 13.438 20.202 -24.656 1.000 1 A 53.130 1 ATOM 3188 C CE . LYS 405 405 ? A 12.467 19.310 -23.894 1.000 1 A 53.130 1 ATOM 3189 N NZ . LYS 405 405 ? A 11.082 19.870 -23.897 1.000 1 A 53.130 1 ATOM 3190 N N . GLY 406 406 ? A 18.271 19.843 -27.964 1.000 1 A 50.530 1 ATOM 3191 C CA . GLY 406 406 ? A 17.692 20.259 -29.231 1.000 1 A 50.530 1 ATOM 3192 C C . GLY 406 406 ? A 18.713 20.839 -30.192 1.000 1 A 50.530 1 ATOM 3193 O O . GLY 406 406 ? A 19.549 21.655 -29.799 1.000 1 A 50.530 1 ATOM 3194 N N . ARG 407 407 ? A 19.148 20.027 -31.145 1.000 1 A 59.650 1 ATOM 3195 C CA . ARG 407 407 ? A 18.975 20.328 -32.562 1.000 1 A 59.650 1 ATOM 3196 C C . ARG 407 407 ? A 20.285 20.155 -33.323 1.000 1 A 59.650 1 ATOM 3197 O O . ARG 407 407 ? A 21.311 20.721 -32.941 1.000 1 A 59.650 1 ATOM 3198 C CB . ARG 407 407 ? A 18.445 21.752 -32.749 1.000 1 A 59.650 1 ATOM 3199 C CG . ARG 407 407 ? A 16.939 21.875 -32.582 1.000 1 A 59.650 1 ATOM 3200 C CD . ARG 407 407 ? A 16.436 23.251 -32.995 1.000 1 A 59.650 1 ATOM 3201 N NE . ARG 407 407 ? A 14.983 23.349 -32.890 1.000 1 A 59.650 1 ATOM 3202 C CZ . ARG 407 407 ? A 14.238 24.265 -33.503 1.000 1 A 59.650 1 ATOM 3203 N NH1 . ARG 407 407 ? A 14.798 25.184 -34.282 1.000 1 A 59.650 1 ATOM 3204 N NH2 . ARG 407 407 ? A 12.924 24.262 -33.337 1.000 1 A 59.650 1 ATOM 3205 N N . ARG 408 408 ? A 20.420 19.047 -33.995 1.000 1 A 54.940 1 ATOM 3206 C CA . ARG 408 408 ? A 20.483 18.610 -35.386 1.000 1 A 54.940 1 ATOM 3207 C C . ARG 408 408 ? A 20.956 19.739 -36.295 1.000 1 A 54.940 1 ATOM 3208 O O . ARG 408 408 ? A 20.369 20.823 -36.303 1.000 1 A 54.940 1 ATOM 3209 C CB . ARG 408 408 ? A 19.118 18.099 -35.852 1.000 1 A 54.940 1 ATOM 3210 C CG . ARG 408 408 ? A 18.934 16.598 -35.691 1.000 1 A 54.940 1 ATOM 3211 C CD . ARG 408 408 ? A 17.614 16.125 -36.283 1.000 1 A 54.940 1 ATOM 3212 N NE . ARG 408 408 ? A 17.431 14.687 -36.112 1.000 1 A 54.940 1 ATOM 3213 C CZ . ARG 408 408 ? A 16.456 13.975 -36.671 1.000 1 A 54.940 1 ATOM 3214 N NH1 . ARG 408 408 ? A 15.553 14.557 -37.451 1.000 1 A 54.940 1 ATOM 3215 N NH2 . ARG 408 408 ? A 16.384 12.671 -36.449 1.000 1 A 54.940 1 ATOM 3216 N N . ARG 409 409 ? A 22.216 19.750 -36.617 1.000 1 A 64.000 1 ATOM 3217 C CA . ARG 409 409 ? A 22.554 20.059 -38.002 1.000 1 A 64.000 1 ATOM 3218 C C . ARG 409 409 ? A 23.982 19.631 -38.326 1.000 1 A 64.000 1 ATOM 3219 O O . ARG 409 409 ? A 24.924 20.024 -37.635 1.000 1 A 64.000 1 ATOM 3220 C CB . ARG 409 409 ? A 22.380 21.554 -38.277 1.000 1 A 64.000 1 ATOM 3221 C CG . ARG 409 409 ? A 20.936 21.977 -38.494 1.000 1 A 64.000 1 ATOM 3222 C CD . ARG 409 409 ? A 20.836 23.415 -38.982 1.000 1 A 64.000 1 ATOM 3223 N NE . ARG 409 409 ? A 19.452 23.803 -39.238 1.000 1 A 64.000 1 ATOM 3224 C CZ . ARG 409 409 ? A 19.079 24.932 -39.834 1.000 1 A 64.000 1 ATOM 3225 N NH1 . ARG 409 409 ? A 19.984 25.811 -40.249 1.000 1 A 64.000 1 ATOM 3226 N NH2 . ARG 409 409 ? A 17.791 25.185 -40.017 1.000 1 A 64.000 1 ATOM 3227 N N . ARG 410 410 ? A 24.140 18.475 -38.951 1.000 1 A 56.430 1 ATOM 3228 C CA . ARG 410 410 ? A 24.634 17.955 -40.222 1.000 1 A 56.430 1 ATOM 3229 C C . ARG 410 410 ? A 25.389 19.030 -40.997 1.000 1 A 56.430 1 ATOM 3230 O O . ARG 410 410 ? A 24.894 20.147 -41.161 1.000 1 A 56.430 1 ATOM 3231 C CB . ARG 410 410 ? A 23.480 17.413 -41.067 1.000 1 A 56.430 1 ATOM 3232 C CG . ARG 410 410 ? A 23.034 16.013 -40.676 1.000 1 A 56.430 1 ATOM 3233 C CD . ARG 410 410 ? A 22.119 15.398 -41.725 1.000 1 A 56.430 1 ATOM 3234 N NE . ARG 410 410 ? A 21.720 14.041 -41.364 1.000 1 A 56.430 1 ATOM 3235 C CZ . ARG 410 410 ? A 21.187 13.158 -42.205 1.000 1 A 56.430 1 ATOM 3236 N NH1 . ARG 410 410 ? A 20.977 13.475 -43.477 1.000 1 A 56.430 1 ATOM 3237 N NH2 . ARG 410 410 ? A 20.861 11.950 -41.770 1.000 1 A 56.430 1 ATOM 3238 N N . ARG 411 411 ? A 26.671 18.978 -41.041 1.000 1 A 60.170 1 ATOM 3239 C CA . ARG 411 411 ? A 27.258 19.033 -42.376 1.000 1 A 60.170 1 ATOM 3240 C C . ARG 411 411 ? A 28.742 19.378 -42.307 1.000 1 A 60.170 1 ATOM 3241 O O . ARG 411 411 ? A 29.133 20.327 -41.624 1.000 1 A 60.170 1 ATOM 3242 C CB . ARG 411 411 ? A 26.522 20.054 -43.245 1.000 1 A 60.170 1 ATOM 3243 C CG . ARG 411 411 ? A 25.361 19.469 -44.034 1.000 1 A 60.170 1 ATOM 3244 C CD . ARG 411 411 ? A 24.731 20.501 -44.959 1.000 1 A 60.170 1 ATOM 3245 N NE . ARG 411 411 ? A 23.660 19.920 -45.764 1.000 1 A 60.170 1 ATOM 3246 C CZ . ARG 411 411 ? A 22.950 20.583 -46.673 1.000 1 A 60.170 1 ATOM 3247 N NH1 . ARG 411 411 ? A 23.185 21.868 -46.911 1.000 1 A 60.170 1 ATOM 3248 N NH2 . ARG 411 411 ? A 21.998 19.957 -47.348 1.000 1 A 60.170 1 ATOM 3249 N N . LYS 412 412 ? A 29.555 18.372 -42.563 1.000 1 A 64.180 1 ATOM 3250 C CA . LYS 412 412 ? A 30.373 18.105 -43.742 1.000 1 A 64.180 1 ATOM 3251 C C . LYS 412 412 ? A 31.849 18.364 -43.457 1.000 1 A 64.180 1 ATOM 3252 O O . LYS 412 412 ? A 32.223 19.461 -43.036 1.000 1 A 64.180 1 ATOM 3253 C CB . LYS 412 412 ? A 29.909 18.960 -44.922 1.000 1 A 64.180 1 ATOM 3254 C CG . LYS 412 412 ? A 29.056 18.209 -45.934 1.000 1 A 64.180 1 ATOM 3255 C CD . LYS 412 412 ? A 28.482 19.147 -46.987 1.000 1 A 64.180 1 ATOM 3256 C CE . LYS 412 412 ? A 27.549 18.414 -47.941 1.000 1 A 64.180 1 ATOM 3257 N NZ . LYS 412 412 ? A 26.981 19.331 -48.975 1.000 1 A 64.180 1 ATOM 3258 N N . VAL 413 413 ? A 32.597 17.279 -43.227 1.000 1 A 53.250 1 ATOM 3259 C CA . VAL 413 413 ? A 33.819 16.616 -43.670 1.000 1 A 53.250 1 ATOM 3260 C C . VAL 413 413 ? A 34.262 17.191 -45.013 1.000 1 A 53.250 1 ATOM 3261 O O . VAL 413 413 ? A 33.485 17.220 -45.970 1.000 1 A 53.250 1 ATOM 3262 C CB . VAL 413 413 ? A 33.625 15.087 -43.783 1.000 1 A 53.250 1 ATOM 3263 C CG1 . VAL 413 413 ? A 34.971 14.383 -43.950 1.000 1 A 53.250 1 ATOM 3264 C CG2 . VAL 413 413 ? A 32.888 14.551 -42.557 1.000 1 A 53.250 1 ATOM 3265 N N . ARG 414 414 ? A 35.286 18.017 -44.953 1.000 1 A 66.850 1 ATOM 3266 C CA . ARG 414 414 ? A 36.311 18.003 -45.992 1.000 1 A 66.850 1 ATOM 3267 C C . ARG 414 414 ? A 37.708 17.964 -45.382 1.000 1 A 66.850 1 ATOM 3268 O O . ARG 414 414 ? A 38.050 18.803 -44.546 1.000 1 A 66.850 1 ATOM 3269 C CB . ARG 414 414 ? A 36.170 19.226 -46.901 1.000 1 A 66.850 1 ATOM 3270 C CG . ARG 414 414 ? A 34.936 19.195 -47.789 1.000 1 A 66.850 1 ATOM 3271 C CD . ARG 414 414 ? A 35.002 20.250 -48.884 1.000 1 A 66.850 1 ATOM 3272 N NE . ARG 414 414 ? A 33.713 20.909 -49.076 1.000 1 A 66.850 1 ATOM 3273 C CZ . ARG 414 414 ? A 33.320 21.491 -50.206 1.000 1 A 66.850 1 ATOM 3274 N NH1 . ARG 414 414 ? A 34.113 21.507 -51.272 1.000 1 A 66.850 1 ATOM 3275 N NH2 . ARG 414 414 ? A 32.126 22.061 -50.271 1.000 1 A 66.850 1 ATOM 3276 N N . HIS 415 415 ? A 38.316 16.822 -45.378 1.000 1 A 59.280 1 ATOM 3277 C CA . HIS 415 415 ? A 39.640 16.286 -45.674 1.000 1 A 59.280 1 ATOM 3278 C C . HIS 415 415 ? A 40.292 17.035 -46.831 1.000 1 A 59.280 1 ATOM 3279 O O . HIS 415 415 ? A 39.646 17.300 -47.847 1.000 1 A 59.280 1 ATOM 3280 C CB . HIS 415 415 ? A 39.553 14.793 -45.998 1.000 1 A 59.280 1 ATOM 3281 C CG . HIS 415 415 ? A 39.736 13.909 -44.805 1.000 1 A 59.280 1 ATOM 3282 N ND1 . HIS 415 415 ? A 40.820 14.013 -43.961 1.000 1 A 59.280 1 ATOM 3283 C CD2 . HIS 415 415 ? A 38.968 12.907 -44.315 1.000 1 A 59.280 1 ATOM 3284 C CE1 . HIS 415 415 ? A 40.711 13.110 -43.001 1.000 1 A 59.280 1 ATOM 3285 N NE2 . HIS 415 415 ? A 39.597 12.426 -43.193 1.000 1 A 59.280 1 ATOM 3286 N N . CYS 416 416 ? A 41.390 17.609 -46.537 1.000 1 A 59.480 1 ATOM 3287 C CA . CYS 416 416 ? A 42.456 17.525 -47.529 1.000 1 A 59.480 1 ATOM 3288 C C . CYS 416 416 ? A 43.791 17.954 -46.932 1.000 1 A 59.480 1 ATOM 3289 O O . CYS 416 416 ? A 43.864 18.957 -46.220 1.000 1 A 59.480 1 ATOM 3290 C CB . CYS 416 416 ? A 42.128 18.393 -48.743 1.000 1 A 59.480 1 ATOM 3291 S SG . CYS 416 416 ? A 41.090 17.567 -49.969 1.000 1 A 59.480 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-coffe-slac-c100000_g3_i1 https://modelarchive.org/api/projects/ma-coffe-slac-c100000_g3_i1?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 1 1 ma-coffe-slac-c100000_g3_i1_predicted_aligned_error_v1.cif cif 'local pairwise QA scores' 'Predicted aligned error' 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 pTM 'Predicted accuracy according to the TM-score score in [0,1]' pTM global . . 3 pLDDT 'Predicted accuracy according to the CA-only lDDT in [0,100]' pLDDT local . . 4 PAE 'Predicted aligned error (in Angstroms)' PAE 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 49.097 2 1 2 0.160 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 PRO 3 55.180 2 1 A 2 TRP 3 47.860 3 1 A 3 HIS 3 63.120 4 1 A 4 THR 3 63.490 5 1 A 5 PRO 3 66.910 6 1 A 6 ARG 3 67.620 7 1 A 7 ALA 3 65.800 8 1 A 8 THR 3 68.190 9 1 A 9 SER 3 60.460 10 1 A 10 SER 3 68.600 11 1 A 11 PRO 3 66.990 12 1 A 12 PRO 3 65.370 13 1 A 13 PRO 3 67.290 14 1 A 14 PRO 3 57.810 15 1 A 15 LEU 3 51.380 16 1 A 16 SER 3 59.960 17 1 A 17 ARG 3 64.320 18 1 A 18 ASP 3 61.830 19 1 A 19 TRP 3 66.630 20 1 A 20 HIS 3 63.590 21 1 A 21 SER 3 54.940 22 1 A 22 GLY 3 51.390 23 1 A 23 THR 3 53.560 24 1 A 24 LEU 3 49.890 25 1 A 25 ILE 3 51.570 26 1 A 26 ARG 3 51.760 27 1 A 27 ASP 3 48.480 28 1 A 28 PRO 3 56.000 29 1 A 29 ALA 3 48.950 30 1 A 30 LEU 3 51.110 31 1 A 31 SER 3 49.800 32 1 A 32 SER 3 53.820 33 1 A 33 GLN 3 53.290 34 1 A 34 ASP 3 47.660 35 1 A 35 SER 3 41.070 36 1 A 36 THR 3 44.890 37 1 A 37 LEU 3 50.440 38 1 A 38 ALA 3 45.050 39 1 A 39 LEU 3 48.330 40 1 A 40 THR 3 46.950 41 1 A 41 LEU 3 47.300 42 1 A 42 SER 3 44.060 43 1 A 43 ARG 3 46.690 44 1 A 44 SER 3 47.370 45 1 A 45 GLN 3 46.940 46 1 A 46 ASP 3 50.060 47 1 A 47 ASP 3 47.990 48 1 A 48 HIS 3 46.620 49 1 A 49 THR 3 45.920 50 1 A 50 SER 3 50.030 51 1 A 51 ILE 3 50.610 52 1 A 52 GLN 3 49.270 53 1 A 53 ASP 3 54.060 54 1 A 54 ASP 3 52.920 55 1 A 55 HIS 3 52.330 56 1 A 56 THR 3 50.670 57 1 A 57 SER 3 48.280 58 1 A 58 ILE 3 44.780 59 1 A 59 ASN 3 43.310 60 1 A 60 THR 3 42.580 61 1 A 61 LEU 3 40.670 62 1 A 62 ARG 3 42.020 63 1 A 63 PRO 3 47.360 64 1 A 64 ASP 3 43.660 65 1 A 65 ASP 3 45.620 66 1 A 66 SER 3 46.180 67 1 A 67 PHE 3 48.710 68 1 A 68 ASN 3 46.330 69 1 A 69 ARG 3 46.170 70 1 A 70 LEU 3 51.120 71 1 A 71 HIS 3 46.150 72 1 A 72 ASP 3 46.950 73 1 A 73 SER 3 49.140 74 1 A 74 TYR 3 47.080 75 1 A 75 SER 3 49.860 76 1 A 76 GLN 3 49.560 77 1 A 77 GLU 3 42.000 78 1 A 78 ASP 3 47.960 79 1 A 79 ARG 3 48.810 80 1 A 80 LEU 3 59.030 81 1 A 81 MET 3 46.690 82 1 A 82 PRO 3 49.650 83 1 A 83 THR 3 51.610 84 1 A 84 SER 3 38.490 85 1 A 85 HIS 3 50.070 86 1 A 86 SER 3 45.060 87 1 A 87 GLN 3 47.820 88 1 A 88 PRO 3 54.830 89 1 A 89 ASP 3 40.630 90 1 A 90 PHE 3 54.980 91 1 A 91 SER 3 44.060 92 1 A 92 TYR 3 46.930 93 1 A 93 HIS 3 60.200 94 1 A 94 MET 3 48.850 95 1 A 95 ASP 3 48.500 96 1 A 96 SER 3 49.640 97 1 A 97 HIS 3 43.850 98 1 A 98 SER 3 44.860 99 1 A 99 PRO 3 54.520 100 1 A 100 GLN 3 51.810 101 1 A 101 ASP 3 46.000 102 1 A 102 THR 3 52.850 103 1 A 103 LEU 3 43.220 104 1 A 104 LYS 3 54.270 105 1 A 105 HIS 3 45.000 106 1 A 106 GLY 3 47.820 107 1 A 107 GLY 3 44.160 108 1 A 108 GLY 3 46.760 109 1 A 109 LYS 3 50.930 110 1 A 110 ARG 3 45.420 111 1 A 111 ASP 3 52.600 112 1 A 112 GLU 3 44.010 113 1 A 113 LEU 3 57.890 114 1 A 114 ALA 3 48.090 115 1 A 115 SER 3 52.340 116 1 A 116 SER 3 49.160 117 1 A 117 GLY 3 43.000 118 1 A 118 SER 3 49.800 119 1 A 119 GLN 3 41.660 120 1 A 120 ILE 3 46.040 121 1 A 121 ALA 3 44.070 122 1 A 122 VAL 3 46.240 123 1 A 123 GLU 3 43.470 124 1 A 124 ASP 3 47.510 125 1 A 125 PHE 3 46.560 126 1 A 126 HIS 3 40.490 127 1 A 127 VAL 3 43.680 128 1 A 128 SER 3 43.330 129 1 A 129 VAL 3 50.610 130 1 A 130 SER 3 51.500 131 1 A 131 PRO 3 47.430 132 1 A 132 LYS 3 53.330 133 1 A 133 SER 3 50.340 134 1 A 134 TYR 3 51.420 135 1 A 135 ARG 3 47.480 136 1 A 136 ARG 3 48.120 137 1 A 137 SER 3 56.510 138 1 A 138 PHE 3 48.930 139 1 A 139 SER 3 55.240 140 1 A 140 GLY 3 46.980 141 1 A 141 ALA 3 50.810 142 1 A 142 SER 3 46.570 143 1 A 143 PRO 3 50.010 144 1 A 144 GLY 3 48.770 145 1 A 145 ALA 3 41.220 146 1 A 146 SER 3 45.130 147 1 A 147 SER 3 40.300 148 1 A 148 LEU 3 45.700 149 1 A 149 LEU 3 49.970 150 1 A 150 HIS 3 48.120 151 1 A 151 PRO 3 56.320 152 1 A 152 LYS 3 52.290 153 1 A 153 GLU 3 51.600 154 1 A 154 SER 3 47.020 155 1 A 155 ARG 3 47.380 156 1 A 156 SER 3 48.760 157 1 A 157 PRO 3 54.010 158 1 A 158 PRO 3 43.950 159 1 A 159 ARG 3 50.070 160 1 A 160 ILE 3 53.470 161 1 A 161 LYS 3 46.350 162 1 A 162 ARG 3 39.790 163 1 A 163 ARG 3 54.170 164 1 A 164 GLY 3 42.230 165 1 A 165 SER 3 48.670 166 1 A 166 GLN 3 47.360 167 1 A 167 ASP 3 46.030 168 1 A 168 ILE 3 48.420 169 1 A 169 LYS 3 46.240 170 1 A 170 GLY 3 41.480 171 1 A 171 SER 3 46.980 172 1 A 172 ASP 3 47.150 173 1 A 173 SER 3 51.580 174 1 A 174 PHE 3 49.510 175 1 A 175 HIS 3 52.610 176 1 A 176 GLY 3 51.220 177 1 A 177 ARG 3 50.760 178 1 A 178 GLN 3 52.120 179 1 A 179 ASP 3 45.860 180 1 A 180 PRO 3 49.900 181 1 A 181 ALA 3 36.950 182 1 A 182 TRP 3 42.070 183 1 A 183 GLY 3 42.900 184 1 A 184 ARG 3 43.350 185 1 A 185 GLY 3 39.980 186 1 A 186 GLY 3 47.880 187 1 A 187 GLN 3 49.530 188 1 A 188 GLN 3 42.510 189 1 A 189 PRO 3 47.770 190 1 A 190 GLN 3 44.400 191 1 A 191 GLN 3 45.810 192 1 A 192 GLN 3 43.110 193 1 A 193 PRO 3 48.210 194 1 A 194 GLN 3 42.970 195 1 A 195 GLY 3 40.440 196 1 A 196 GLY 3 45.800 197 1 A 197 VAL 3 49.050 198 1 A 198 ARG 3 39.740 199 1 A 199 SER 3 41.540 200 1 A 200 GLU 3 43.380 201 1 A 201 ARG 3 42.500 202 1 A 202 SER 3 47.500 203 1 A 203 SER 3 45.900 204 1 A 204 VAL 3 47.090 205 1 A 205 SER 3 42.420 206 1 A 206 SER 3 44.170 207 1 A 207 ASN 3 42.830 208 1 A 208 ASP 3 41.080 209 1 A 209 THR 3 44.160 210 1 A 210 SER 3 38.050 211 1 A 211 GLU 3 37.710 212 1 A 212 HIS 3 43.010 213 1 A 213 LEU 3 41.550 214 1 A 214 PRO 3 49.110 215 1 A 215 GLN 3 42.000 216 1 A 216 GLN 3 40.250 217 1 A 217 HIS 3 44.390 218 1 A 218 ARG 3 42.810 219 1 A 219 ASP 3 41.010 220 1 A 220 TYR 3 43.440 221 1 A 221 LEU 3 47.600 222 1 A 222 GLU 3 43.930 223 1 A 223 GLU 3 45.110 224 1 A 224 ALA 3 50.510 225 1 A 225 MET 3 52.840 226 1 A 226 ALA 3 49.230 227 1 A 227 LYS 3 47.390 228 1 A 228 ARG 3 50.360 229 1 A 229 GLY 3 52.690 230 1 A 230 GLN 3 42.460 231 1 A 231 ASP 3 47.230 232 1 A 232 TRP 3 42.660 233 1 A 233 THR 3 46.490 234 1 A 234 HIS 3 49.780 235 1 A 235 PRO 3 53.690 236 1 A 236 SER 3 45.680 237 1 A 237 MET 3 45.970 238 1 A 238 MET 3 48.990 239 1 A 239 PRO 3 44.980 240 1 A 240 ASN 3 44.510 241 1 A 241 ALA 3 42.230 242 1 A 242 TRP 3 38.690 243 1 A 243 ARG 3 41.510 244 1 A 244 PRO 3 48.340 245 1 A 245 TYR 3 41.660 246 1 A 246 PRO 3 43.420 247 1 A 247 PRO 3 46.800 248 1 A 248 GLU 3 39.160 249 1 A 249 TYR 3 35.590 250 1 A 250 LEU 3 45.160 251 1 A 251 SER 3 40.520 252 1 A 252 SER 3 43.580 253 1 A 253 SER 3 44.010 254 1 A 254 LEU 3 48.680 255 1 A 255 PRO 3 47.220 256 1 A 256 TYR 3 44.910 257 1 A 257 GLN 3 49.730 258 1 A 258 PRO 3 47.330 259 1 A 259 SER 3 42.540 260 1 A 260 ASP 3 40.820 261 1 A 261 ARG 3 46.540 262 1 A 262 TYR 3 48.380 263 1 A 263 PRO 3 43.310 264 1 A 264 MET 3 50.820 265 1 A 265 ASP 3 53.450 266 1 A 266 PRO 3 48.520 267 1 A 267 ARG 3 41.320 268 1 A 268 LEU 3 43.290 269 1 A 269 LEU 3 49.660 270 1 A 270 SER 3 43.570 271 1 A 271 LEU 3 46.940 272 1 A 272 GLN 3 47.030 273 1 A 273 HIS 3 45.090 274 1 A 274 LYS 3 44.220 275 1 A 275 ASP 3 45.790 276 1 A 276 SER 3 45.670 277 1 A 277 LEU 3 52.190 278 1 A 278 ARG 3 47.220 279 1 A 279 GLY 3 50.650 280 1 A 280 ARG 3 52.260 281 1 A 281 TYR 3 48.290 282 1 A 282 PRO 3 46.680 283 1 A 283 GLY 3 51.980 284 1 A 284 TYR 3 43.460 285 1 A 285 ALA 3 53.310 286 1 A 286 PRO 3 57.570 287 1 A 287 ARG 3 67.030 288 1 A 288 PRO 3 47.710 289 1 A 289 HIS 3 49.620 290 1 A 290 PRO 3 52.380 291 1 A 291 ARG 3 52.560 292 1 A 292 GLY 3 50.560 293 1 A 293 GLY 3 58.050 294 1 A 294 GLN 3 43.610 295 1 A 295 TYR 3 47.170 296 1 A 296 PRO 3 45.290 297 1 A 297 GLY 3 43.870 298 1 A 298 GLY 3 43.910 299 1 A 299 GLU 3 40.490 300 1 A 300 GLU 3 49.320 301 1 A 301 GLN 3 50.540 302 1 A 302 PRO 3 45.510 303 1 A 303 HIS 3 48.180 304 1 A 304 THR 3 50.030 305 1 A 305 LEU 3 52.350 306 1 A 306 MET 3 49.530 307 1 A 307 ARG 3 46.490 308 1 A 308 SER 3 43.740 309 1 A 309 ARG 3 46.640 310 1 A 310 SER 3 42.830 311 1 A 311 HIS 3 46.070 312 1 A 312 ASP 3 43.490 313 1 A 313 ARG 3 46.690 314 1 A 314 ALA 3 42.530 315 1 A 315 LEU 3 43.970 316 1 A 316 ASP 3 41.080 317 1 A 317 GLU 3 48.150 318 1 A 318 GLU 3 51.540 319 1 A 319 PRO 3 47.000 320 1 A 320 ARG 3 41.040 321 1 A 321 PHE 3 45.010 322 1 A 322 VAL 3 51.400 323 1 A 323 GLN 3 49.830 324 1 A 324 PRO 3 44.390 325 1 A 325 GLY 3 48.140 326 1 A 326 HIS 3 47.690 327 1 A 327 TYR 3 50.150 328 1 A 328 PRO 3 52.940 329 1 A 329 GLY 3 51.500 330 1 A 330 PRO 3 47.270 331 1 A 331 TYR 3 45.600 332 1 A 332 HIS 3 47.400 333 1 A 333 ARG 3 50.100 334 1 A 334 PRO 3 44.220 335 1 A 335 GLN 3 56.650 336 1 A 336 MET 3 45.000 337 1 A 337 PHE 3 42.730 338 1 A 338 GLU 3 55.560 339 1 A 339 GLU 3 53.940 340 1 A 340 GLY 3 50.050 341 1 A 341 PRO 3 48.940 342 1 A 342 PRO 3 48.690 343 1 A 343 VAL 3 65.660 344 1 A 344 ASP 3 53.550 345 1 A 345 TYR 3 46.290 346 1 A 346 TYR 3 46.100 347 1 A 347 LEU 3 49.460 348 1 A 348 SER 3 48.380 349 1 A 349 GLN 3 52.160 350 1 A 350 PRO 3 50.330 351 1 A 351 THR 3 47.180 352 1 A 352 ALA 3 42.290 353 1 A 353 SER 3 46.050 354 1 A 354 TYR 3 42.160 355 1 A 355 GLU 3 51.870 356 1 A 356 ARG 3 51.950 357 1 A 357 PRO 3 57.750 358 1 A 358 PRO 3 65.610 359 1 A 359 PRO 3 54.560 360 1 A 360 HIS 3 53.220 361 1 A 361 PRO 3 69.610 362 1 A 362 PHE 3 49.000 363 1 A 363 HIS 3 60.990 364 1 A 364 HIS 3 62.590 365 1 A 365 ASN 3 57.860 366 1 A 366 PRO 3 56.330 367 1 A 367 MET 3 53.970 368 1 A 368 MET 3 57.140 369 1 A 369 GLY 3 48.780 370 1 A 370 TYR 3 53.140 371 1 A 371 ASP 3 43.990 372 1 A 372 MET 3 56.370 373 1 A 373 LYS 3 53.160 374 1 A 374 VAL 3 45.490 375 1 A 375 VAL 3 52.050 376 1 A 376 MET 3 48.830 377 1 A 377 GLY 3 54.020 378 1 A 378 GLY 3 61.350 379 1 A 379 PRO 3 50.860 380 1 A 380 SER 3 47.610 381 1 A 381 GLY 3 52.790 382 1 A 382 TYR 3 44.130 383 1 A 383 THR 3 46.990 384 1 A 384 LEU 3 52.250 385 1 A 385 SER 3 51.830 386 1 A 386 GLN 3 60.450 387 1 A 387 PRO 3 49.580 388 1 A 388 ILE 3 52.400 389 1 A 389 PRO 3 50.680 390 1 A 390 MET 3 44.540 391 1 A 391 GLY 3 51.540 392 1 A 392 MET 3 44.330 393 1 A 393 TYR 3 47.990 394 1 A 394 SER 3 48.980 395 1 A 395 GLY 3 49.230 396 1 A 396 GLY 3 53.940 397 1 A 397 GLY 3 49.410 398 1 A 398 GLY 3 54.590 399 1 A 399 GLY 3 56.660 400 1 A 400 GLY 3 48.660 401 1 A 401 GLY 3 53.560 402 1 A 402 GLY 3 53.170 403 1 A 403 ARG 3 52.240 404 1 A 404 GLY 3 54.360 405 1 A 405 LYS 3 53.130 406 1 A 406 GLY 3 50.530 407 1 A 407 ARG 3 59.650 408 1 A 408 ARG 3 54.940 409 1 A 409 ARG 3 64.000 410 1 A 410 ARG 3 56.430 411 1 A 411 ARG 3 60.170 412 1 A 412 LYS 3 64.180 413 1 A 413 VAL 3 53.250 414 1 A 414 ARG 3 66.850 415 1 A 415 HIS 3 59.280 416 1 A 416 CYS 3 59.480 _database_2.database_id ModelArchive _database_2.database_code ma-coffe-slac-c100000_g3_i1 _database_2.pdbx_DOI 10.5452/ma-coffe-slac-c100000_g3_i1 _pdbx_database_status.entry_id 'ma-coffe-slac-c100000_g3_i1' _pdbx_database_status.date_coordinates 2022-08-30:16:18 _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 6 Prof. Detlev Arendt . arendt@embl.de 'EMBL Heidelberg' 'Centre for Organismal Studies (COS), University of Heidelberg' . 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 2022-08-31 2 'Structure model' 1 1 2023-07-20 3 'Structure model' 1 2 2024-02-16 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' ? 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 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_software_group 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_software_group.parameter_group_id'