data_4I00 # _entry.id 4I00 # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.291 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 4I00 RCSB RCSB076132 WWPDB D_1000076132 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.details _pdbx_database_related.content_type PDB 3CKZ 'N1 Neuraminidase H274Y + Zanamivir' unspecified PDB 4HZV . unspecified PDB 4HZW . unspecified PDB 4HZX . unspecified PDB 4HZY . unspecified PDB 4IZZ . unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 4I00 _pdbx_database_status.recvd_initial_deposition_date 2012-11-16 _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site PDBJ _pdbx_database_status.methods_development_category ? _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.SG_entry ? _pdbx_database_status.status_code_cs ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Li, Q.' 1 'Qi, J.' 2 'Vavricka, C.J.' 3 'Gao, G.F.' 4 # _citation.id primary _citation.title ;Functional and structural analysis of influenza virus neuraminidase N3 offers further insight into the mechanisms of oseltamivir resistance. ; _citation.journal_abbrev J.Virol. _citation.journal_volume 87 _citation.page_first 10016 _citation.page_last 10024 _citation.year 2013 _citation.journal_id_ASTM JOVIAM _citation.country US _citation.journal_id_ISSN 0022-538X _citation.journal_id_CSD 0825 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 23824808 _citation.pdbx_database_id_DOI 10.1128/JVI.01129-13 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Li, Q.' 1 primary 'Qi, J.' 2 primary 'Wu, Y.' 3 primary 'Kiyota, H.' 4 primary 'Tanaka, K.' 5 primary 'Suhara, Y.' 6 primary 'Ohrui, H.' 7 primary 'Suzuki, Y.' 8 primary 'Vavricka, C.J.' 9 primary 'Gao, G.F.' 10 # _cell.entry_id 4I00 _cell.length_a 106.334 _cell.length_b 106.334 _cell.length_c 64.750 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 90.00 _cell.Z_PDB 8 _cell.pdbx_unique_axis ? _cell.length_a_esd ? _cell.length_b_esd ? _cell.length_c_esd ? _cell.angle_alpha_esd ? _cell.angle_beta_esd ? _cell.angle_gamma_esd ? # _symmetry.entry_id 4I00 _symmetry.space_group_name_H-M 'I 4' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 79 _symmetry.space_group_name_Hall ? # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer man Neuraminidase 43352.707 1 ? H274Y 'UNP RESIDUES 83-469' ? 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 4 ? ? ? ? 3 non-polymer man ALPHA-L-FUCOSE 164.156 2 ? ? ? ? 4 non-polymer syn 'CALCIUM ION' 40.078 2 ? ? ? ? 5 non-polymer syn ZANAMIVIR 332.310 1 ? ? ? ? 6 water nat water 18.015 409 ? ? ? ? # _entity_poly.entity_id 1 _entity_poly.type 'polypeptide(L)' _entity_poly.nstd_linkage no _entity_poly.nstd_monomer no _entity_poly.pdbx_seq_one_letter_code ;FRPFKSPLPLCPFRGFFPFHKDNAIRLGENKDVIVTREPYVSCDNDNCWSFALAQGALLGTKHSNGTIKDRTPYRSLIRF PIGTAPVLGNYKEICIAWSSSSCFDGKEWMHVCMTGNDNDASAQIIYGGRMTDSIKSWRKDILRTQESECQCIDGTCVVA VTDGPAANSADYRVYWIREGKIIKYENVPKTKIQYLEECSCYVDIDVYCICRDNWKGSNRPWMRINNETILETGYVCSKF HSDTPRPADPSTMSCDSPSNVNGGPGVKGFGFKAGDDVWLGRTVSTSGRSGFEIIKVTEGWINSPNHVKSITQTLVSNND WSGYSGSFIVKAKDCFQPCFYVELIRGRPNKNDDVSWTSNSIVTFCGLDNEPGSGNWPDGSNIGFMPK ; _entity_poly.pdbx_seq_one_letter_code_can ;FRPFKSPLPLCPFRGFFPFHKDNAIRLGENKDVIVTREPYVSCDNDNCWSFALAQGALLGTKHSNGTIKDRTPYRSLIRF PIGTAPVLGNYKEICIAWSSSSCFDGKEWMHVCMTGNDNDASAQIIYGGRMTDSIKSWRKDILRTQESECQCIDGTCVVA VTDGPAANSADYRVYWIREGKIIKYENVPKTKIQYLEECSCYVDIDVYCICRDNWKGSNRPWMRINNETILETGYVCSKF HSDTPRPADPSTMSCDSPSNVNGGPGVKGFGFKAGDDVWLGRTVSTSGRSGFEIIKVTEGWINSPNHVKSITQTLVSNND WSGYSGSFIVKAKDCFQPCFYVELIRGRPNKNDDVSWTSNSIVTFCGLDNEPGSGNWPDGSNIGFMPK ; _entity_poly.pdbx_strand_id A _entity_poly.pdbx_target_identifier ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 PHE n 1 2 ARG n 1 3 PRO n 1 4 PHE n 1 5 LYS n 1 6 SER n 1 7 PRO n 1 8 LEU n 1 9 PRO n 1 10 LEU n 1 11 CYS n 1 12 PRO n 1 13 PHE n 1 14 ARG n 1 15 GLY n 1 16 PHE n 1 17 PHE n 1 18 PRO n 1 19 PHE n 1 20 HIS n 1 21 LYS n 1 22 ASP n 1 23 ASN n 1 24 ALA n 1 25 ILE n 1 26 ARG n 1 27 LEU n 1 28 GLY n 1 29 GLU n 1 30 ASN n 1 31 LYS n 1 32 ASP n 1 33 VAL n 1 34 ILE n 1 35 VAL n 1 36 THR n 1 37 ARG n 1 38 GLU n 1 39 PRO n 1 40 TYR n 1 41 VAL n 1 42 SER n 1 43 CYS n 1 44 ASP n 1 45 ASN n 1 46 ASP n 1 47 ASN n 1 48 CYS n 1 49 TRP n 1 50 SER n 1 51 PHE n 1 52 ALA n 1 53 LEU n 1 54 ALA n 1 55 GLN n 1 56 GLY n 1 57 ALA n 1 58 LEU n 1 59 LEU n 1 60 GLY n 1 61 THR n 1 62 LYS n 1 63 HIS n 1 64 SER n 1 65 ASN n 1 66 GLY n 1 67 THR n 1 68 ILE n 1 69 LYS n 1 70 ASP n 1 71 ARG n 1 72 THR n 1 73 PRO n 1 74 TYR n 1 75 ARG n 1 76 SER n 1 77 LEU n 1 78 ILE n 1 79 ARG n 1 80 PHE n 1 81 PRO n 1 82 ILE n 1 83 GLY n 1 84 THR n 1 85 ALA n 1 86 PRO n 1 87 VAL n 1 88 LEU n 1 89 GLY n 1 90 ASN n 1 91 TYR n 1 92 LYS n 1 93 GLU n 1 94 ILE n 1 95 CYS n 1 96 ILE n 1 97 ALA n 1 98 TRP n 1 99 SER n 1 100 SER n 1 101 SER n 1 102 SER n 1 103 CYS n 1 104 PHE n 1 105 ASP n 1 106 GLY n 1 107 LYS n 1 108 GLU n 1 109 TRP n 1 110 MET n 1 111 HIS n 1 112 VAL n 1 113 CYS n 1 114 MET n 1 115 THR n 1 116 GLY n 1 117 ASN n 1 118 ASP n 1 119 ASN n 1 120 ASP n 1 121 ALA n 1 122 SER n 1 123 ALA n 1 124 GLN n 1 125 ILE n 1 126 ILE n 1 127 TYR n 1 128 GLY n 1 129 GLY n 1 130 ARG n 1 131 MET n 1 132 THR n 1 133 ASP n 1 134 SER n 1 135 ILE n 1 136 LYS n 1 137 SER n 1 138 TRP n 1 139 ARG n 1 140 LYS n 1 141 ASP n 1 142 ILE n 1 143 LEU n 1 144 ARG n 1 145 THR n 1 146 GLN n 1 147 GLU n 1 148 SER n 1 149 GLU n 1 150 CYS n 1 151 GLN n 1 152 CYS n 1 153 ILE n 1 154 ASP n 1 155 GLY n 1 156 THR n 1 157 CYS n 1 158 VAL n 1 159 VAL n 1 160 ALA n 1 161 VAL n 1 162 THR n 1 163 ASP n 1 164 GLY n 1 165 PRO n 1 166 ALA n 1 167 ALA n 1 168 ASN n 1 169 SER n 1 170 ALA n 1 171 ASP n 1 172 TYR n 1 173 ARG n 1 174 VAL n 1 175 TYR n 1 176 TRP n 1 177 ILE n 1 178 ARG n 1 179 GLU n 1 180 GLY n 1 181 LYS n 1 182 ILE n 1 183 ILE n 1 184 LYS n 1 185 TYR n 1 186 GLU n 1 187 ASN n 1 188 VAL n 1 189 PRO n 1 190 LYS n 1 191 THR n 1 192 LYS n 1 193 ILE n 1 194 GLN n 1 195 TYR n 1 196 LEU n 1 197 GLU n 1 198 GLU n 1 199 CYS n 1 200 SER n 1 201 CYS n 1 202 TYR n 1 203 VAL n 1 204 ASP n 1 205 ILE n 1 206 ASP n 1 207 VAL n 1 208 TYR n 1 209 CYS n 1 210 ILE n 1 211 CYS n 1 212 ARG n 1 213 ASP n 1 214 ASN n 1 215 TRP n 1 216 LYS n 1 217 GLY n 1 218 SER n 1 219 ASN n 1 220 ARG n 1 221 PRO n 1 222 TRP n 1 223 MET n 1 224 ARG n 1 225 ILE n 1 226 ASN n 1 227 ASN n 1 228 GLU n 1 229 THR n 1 230 ILE n 1 231 LEU n 1 232 GLU n 1 233 THR n 1 234 GLY n 1 235 TYR n 1 236 VAL n 1 237 CYS n 1 238 SER n 1 239 LYS n 1 240 PHE n 1 241 HIS n 1 242 SER n 1 243 ASP n 1 244 THR n 1 245 PRO n 1 246 ARG n 1 247 PRO n 1 248 ALA n 1 249 ASP n 1 250 PRO n 1 251 SER n 1 252 THR n 1 253 MET n 1 254 SER n 1 255 CYS n 1 256 ASP n 1 257 SER n 1 258 PRO n 1 259 SER n 1 260 ASN n 1 261 VAL n 1 262 ASN n 1 263 GLY n 1 264 GLY n 1 265 PRO n 1 266 GLY n 1 267 VAL n 1 268 LYS n 1 269 GLY n 1 270 PHE n 1 271 GLY n 1 272 PHE n 1 273 LYS n 1 274 ALA n 1 275 GLY n 1 276 ASP n 1 277 ASP n 1 278 VAL n 1 279 TRP n 1 280 LEU n 1 281 GLY n 1 282 ARG n 1 283 THR n 1 284 VAL n 1 285 SER n 1 286 THR n 1 287 SER n 1 288 GLY n 1 289 ARG n 1 290 SER n 1 291 GLY n 1 292 PHE n 1 293 GLU n 1 294 ILE n 1 295 ILE n 1 296 LYS n 1 297 VAL n 1 298 THR n 1 299 GLU n 1 300 GLY n 1 301 TRP n 1 302 ILE n 1 303 ASN n 1 304 SER n 1 305 PRO n 1 306 ASN n 1 307 HIS n 1 308 VAL n 1 309 LYS n 1 310 SER n 1 311 ILE n 1 312 THR n 1 313 GLN n 1 314 THR n 1 315 LEU n 1 316 VAL n 1 317 SER n 1 318 ASN n 1 319 ASN n 1 320 ASP n 1 321 TRP n 1 322 SER n 1 323 GLY n 1 324 TYR n 1 325 SER n 1 326 GLY n 1 327 SER n 1 328 PHE n 1 329 ILE n 1 330 VAL n 1 331 LYS n 1 332 ALA n 1 333 LYS n 1 334 ASP n 1 335 CYS n 1 336 PHE n 1 337 GLN n 1 338 PRO n 1 339 CYS n 1 340 PHE n 1 341 TYR n 1 342 VAL n 1 343 GLU n 1 344 LEU n 1 345 ILE n 1 346 ARG n 1 347 GLY n 1 348 ARG n 1 349 PRO n 1 350 ASN n 1 351 LYS n 1 352 ASN n 1 353 ASP n 1 354 ASP n 1 355 VAL n 1 356 SER n 1 357 TRP n 1 358 THR n 1 359 SER n 1 360 ASN n 1 361 SER n 1 362 ILE n 1 363 VAL n 1 364 THR n 1 365 PHE n 1 366 CYS n 1 367 GLY n 1 368 LEU n 1 369 ASP n 1 370 ASN n 1 371 GLU n 1 372 PRO n 1 373 GLY n 1 374 SER n 1 375 GLY n 1 376 ASN n 1 377 TRP n 1 378 PRO n 1 379 ASP n 1 380 GLY n 1 381 SER n 1 382 ASN n 1 383 ILE n 1 384 GLY n 1 385 PHE n 1 386 MET n 1 387 PRO n 1 388 LYS n # _entity_src_gen.entity_id 1 _entity_src_gen.pdbx_src_id 1 _entity_src_gen.pdbx_alt_source_flag sample _entity_src_gen.pdbx_seq_type ? _entity_src_gen.pdbx_beg_seq_num ? _entity_src_gen.pdbx_end_seq_num ? _entity_src_gen.gene_src_common_name ? _entity_src_gen.gene_src_genus ? _entity_src_gen.pdbx_gene_src_gene NA _entity_src_gen.gene_src_species ? _entity_src_gen.gene_src_strain ? _entity_src_gen.gene_src_tissue ? _entity_src_gen.gene_src_tissue_fraction ? _entity_src_gen.gene_src_details ? _entity_src_gen.pdbx_gene_src_fragment ? _entity_src_gen.pdbx_gene_src_scientific_name 'Influenza A virus' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 489926 _entity_src_gen.pdbx_gene_src_variant ? _entity_src_gen.pdbx_gene_src_cell_line ? _entity_src_gen.pdbx_gene_src_atcc ? _entity_src_gen.pdbx_gene_src_organ ? _entity_src_gen.pdbx_gene_src_organelle ? _entity_src_gen.pdbx_gene_src_cell Hi5 _entity_src_gen.pdbx_gene_src_cellular_location ? _entity_src_gen.host_org_common_name ? _entity_src_gen.pdbx_host_org_scientific_name ? _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id ? _entity_src_gen.host_org_genus ? _entity_src_gen.pdbx_host_org_gene ? _entity_src_gen.pdbx_host_org_organ ? _entity_src_gen.host_org_species ? _entity_src_gen.pdbx_host_org_tissue ? _entity_src_gen.pdbx_host_org_tissue_fraction ? _entity_src_gen.pdbx_host_org_strain ? _entity_src_gen.pdbx_host_org_variant ? _entity_src_gen.pdbx_host_org_cell_line ? _entity_src_gen.pdbx_host_org_atcc ? _entity_src_gen.pdbx_host_org_culture_collection ? _entity_src_gen.pdbx_host_org_cell ? _entity_src_gen.pdbx_host_org_organelle ? _entity_src_gen.pdbx_host_org_cellular_location ? _entity_src_gen.pdbx_host_org_vector_type ? _entity_src_gen.pdbx_host_org_vector ? _entity_src_gen.host_org_details ? _entity_src_gen.expression_system_id ? _entity_src_gen.plasmid_name ? _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code A9YN63_9INFA _struct_ref.pdbx_db_accession A9YN63 _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ;RPFKSPLPLCPFRGFFPFHKDNAIRLGENKDVIVTREPYVSCDNDNCWSFALAQGALLGTKHSNGTIKDRTPYRSLIRFP IGTAPVLGNYKEICIAWSSSSCFDGKEWMHVCMTGNDNDASAQIIYGGRMTDSIKSWRKDILRTQESECQCIDGTCVVAV TDGPAANSADYRVYWIREGKIIKYENVPKTKIQHLEECSCYVDIDVYCICRDNWKGSNRPWMRINNETILETGYVCSKFH SDTPRPADPSTMSCDSPSNVNGGPGVKGFGFKAGDDVWLGRTVSTSGRSGFEIIKVTEGWINSPNHVKSITQTLVSNNDW SGYSGSFIVKAKDCFQPCFYVELIRGRPNKNDDVSWTSNSIVTFCGLDNEPGSGNWPDGSNIGFMPK ; _struct_ref.pdbx_align_begin 83 _struct_ref.pdbx_db_isoform ? # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 4I00 _struct_ref_seq.pdbx_strand_id A _struct_ref_seq.seq_align_beg 2 _struct_ref_seq.pdbx_seq_align_beg_ins_code ? _struct_ref_seq.seq_align_end 388 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession A9YN63 _struct_ref_seq.db_align_beg 83 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 469 _struct_ref_seq.pdbx_db_align_end_ins_code ? _struct_ref_seq.pdbx_auth_seq_align_beg 83 _struct_ref_seq.pdbx_auth_seq_align_end 469 # loop_ _struct_ref_seq_dif.align_id _struct_ref_seq_dif.pdbx_pdb_id_code _struct_ref_seq_dif.mon_id _struct_ref_seq_dif.pdbx_pdb_strand_id _struct_ref_seq_dif.seq_num _struct_ref_seq_dif.pdbx_pdb_ins_code _struct_ref_seq_dif.pdbx_seq_db_name _struct_ref_seq_dif.pdbx_seq_db_accession_code _struct_ref_seq_dif.db_mon_id _struct_ref_seq_dif.pdbx_seq_db_seq_num _struct_ref_seq_dif.details _struct_ref_seq_dif.pdbx_auth_seq_num _struct_ref_seq_dif.pdbx_ordinal 1 4I00 PHE A 1 ? UNP A9YN63 ? ? 'EXPRESSION TAG' 82 1 1 4I00 TYR A 195 ? UNP A9YN63 HIS 276 'ENGINEERED MUTATION' 274 2 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CA non-polymer . 'CALCIUM ION' ? 'Ca 2' 40.078 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 FUC saccharide . ALPHA-L-FUCOSE ? 'C6 H12 O5' 164.156 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 ZMR non-polymer . ZANAMIVIR 'MODIFIED SIALIC ACID' 'C12 H20 N4 O7' 332.310 # _exptl.entry_id 4I00 _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.11 _exptl_crystal.density_percent_sol 41.73 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'VAPOR DIFFUSION' _exptl_crystal_grow.temp 291 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 8.0 _exptl_crystal_grow.pdbx_details '20mM Tris, pH 8.0, 50mM NaCl, 0.1M BIS-TRIS propane (pH 9.0), 10% v/v Jeffamine ED-2001 (pH 7.0), VAPOR DIFFUSION, temperature 291K' _exptl_crystal_grow.pdbx_pH_range . # _diffrn.id 1 _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector CCD _diffrn_detector.type 'ADSC QUANTUM 315r' _diffrn_detector.pdbx_collection_date 2012-02-15 _diffrn_detector.details ? # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator GRAPHITE _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 1.0 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'PHOTON FACTORY BEAMLINE BL-17A' _diffrn_source.pdbx_synchrotron_site 'Photon Factory' _diffrn_source.pdbx_synchrotron_beamline BL-17A _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_wavelength_list 1.0 # _reflns.entry_id 4I00 _reflns.observed_criterion_sigma_I 2 _reflns.observed_criterion_sigma_F 2 _reflns.d_resolution_low 50 _reflns.d_resolution_high 1.60 _reflns.number_obs 46217 _reflns.number_all 46217 _reflns.percent_possible_obs 97.6 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI ? _reflns.B_iso_Wilson_estimate ? _reflns.pdbx_redundancy ? _reflns.R_free_details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_ordinal 1 _reflns.pdbx_diffrn_id 1 # _reflns_shell.d_res_high 1.60 _reflns_shell.d_res_low 1.66 _reflns_shell.percent_possible_all 96.2 _reflns_shell.Rmerge_I_obs ? _reflns_shell.pdbx_Rsym_value ? _reflns_shell.meanI_over_sigI_obs ? _reflns_shell.pdbx_redundancy ? _reflns_shell.percent_possible_obs ? _reflns_shell.number_unique_all ? _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_unique_obs ? _reflns_shell.pdbx_chi_squared ? _reflns_shell.pdbx_rejects ? _reflns_shell.pdbx_netI_over_sigmaI_obs ? _reflns_shell.number_possible ? _reflns_shell.Rmerge_F_all ? _reflns_shell.Rmerge_F_obs ? _reflns_shell.Rmerge_I_all ? _reflns_shell.meanI_over_sigI_all ? _reflns_shell.pdbx_Rrim_I_all ? _reflns_shell.pdbx_Rpim_I_all ? _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 # _refine.entry_id 4I00 _refine.ls_number_reflns_obs 46217 _refine.ls_number_reflns_all 46217 _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 0.17 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 33.626 _refine.ls_d_res_high 1.600 _refine.ls_percent_reflns_obs 96.92 _refine.ls_R_factor_obs 0.1545 _refine.ls_R_factor_all 0.1545 _refine.ls_R_factor_R_work 0.1533 _refine.ls_R_factor_R_free 0.1765 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.06 _refine.ls_number_reflns_R_free 2338 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.B_iso_mean ? _refine.aniso_B[1][1] -6.5274 _refine.aniso_B[2][2] -6.5274 _refine.aniso_B[3][3] 13.0548 _refine.aniso_B[1][2] -0.0000 _refine.aniso_B[1][3] 0.0000 _refine.aniso_B[2][3] -0.0000 _refine.solvent_model_details 'FLAT BULK SOLVENT MODEL' _refine.solvent_model_param_ksol 0.354 _refine.solvent_model_param_bsol 39.767 _refine.pdbx_solvent_vdw_probe_radii 1.11 _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii 0.90 _refine.pdbx_ls_cross_valid_method ? _refine.details ? _refine.pdbx_starting_model 2BAT _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values ML _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details ? _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_ML 0.15 _refine.pdbx_overall_phase_error 17.45 _refine.overall_SU_B ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.ls_redundancy_reflns_obs ? _refine.B_iso_min ? _refine.B_iso_max ? _refine.overall_SU_R_free ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_diffrn_id 1 _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 3041 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 101 _refine_hist.number_atoms_solvent 409 _refine_hist.number_atoms_total 3551 _refine_hist.d_res_high 1.600 _refine_hist.d_res_low 33.626 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_restraint_function _refine_ls_restr.pdbx_refine_id f_bond_d 0.007 ? ? 3237 ? 'X-RAY DIFFRACTION' f_angle_d 1.190 ? ? 4392 ? 'X-RAY DIFFRACTION' f_dihedral_angle_d 23.671 ? ? 1214 ? 'X-RAY DIFFRACTION' f_chiral_restr 0.079 ? ? 477 ? 'X-RAY DIFFRACTION' f_plane_restr 0.005 ? ? 561 ? 'X-RAY DIFFRACTION' # loop_ _refine_ls_shell.pdbx_refine_id _refine_ls_shell.pdbx_total_number_of_bins_used _refine_ls_shell.d_res_high _refine_ls_shell.d_res_low _refine_ls_shell.number_reflns_R_work _refine_ls_shell.R_factor_R_work _refine_ls_shell.percent_reflns_obs _refine_ls_shell.R_factor_R_free _refine_ls_shell.R_factor_R_free_error _refine_ls_shell.percent_reflns_R_free _refine_ls_shell.number_reflns_R_free _refine_ls_shell.number_reflns_all _refine_ls_shell.R_factor_all _refine_ls_shell.number_reflns_obs _refine_ls_shell.redundancy_reflns_obs 'X-RAY DIFFRACTION' 17 1.5996 1.6322 2457 0.1685 93.00 0.1873 . . 138 . . . . 'X-RAY DIFFRACTION' 17 1.6322 1.6677 2471 0.1707 94.00 0.1935 . . 141 . . . . 'X-RAY DIFFRACTION' 17 1.6677 1.7065 2559 0.1620 95.00 0.2163 . . 133 . . . . 'X-RAY DIFFRACTION' 17 1.7065 1.7492 2540 0.1634 96.00 0.2206 . . 137 . . . . 'X-RAY DIFFRACTION' 17 1.7492 1.7965 2494 0.1621 96.00 0.1820 . . 147 . . . . 'X-RAY DIFFRACTION' 17 1.7965 1.8494 2559 0.1587 97.00 0.2158 . . 140 . . . . 'X-RAY DIFFRACTION' 17 1.8494 1.9090 2599 0.1610 97.00 0.1918 . . 132 . . . . 'X-RAY DIFFRACTION' 17 1.9090 1.9773 2564 0.1557 98.00 0.1872 . . 152 . . . . 'X-RAY DIFFRACTION' 17 1.9773 2.0564 2570 0.1565 97.00 0.1884 . . 146 . . . . 'X-RAY DIFFRACTION' 17 2.0564 2.1500 2637 0.1602 98.00 0.1699 . . 128 . . . . 'X-RAY DIFFRACTION' 17 2.1500 2.2633 2605 0.1530 99.00 0.2142 . . 148 . . . . 'X-RAY DIFFRACTION' 17 2.2633 2.4051 2617 0.1549 98.00 0.1696 . . 131 . . . . 'X-RAY DIFFRACTION' 17 2.4051 2.5907 2637 0.1521 99.00 0.1785 . . 138 . . . . 'X-RAY DIFFRACTION' 17 2.5907 2.8513 2666 0.1537 99.00 0.1775 . . 127 . . . . 'X-RAY DIFFRACTION' 17 2.8513 3.2636 2633 0.1520 99.00 0.1577 . . 140 . . . . 'X-RAY DIFFRACTION' 17 3.2636 4.1107 2640 0.1346 97.00 0.1472 . . 125 . . . . 'X-RAY DIFFRACTION' 17 4.1107 33.6332 2631 0.1383 96.00 0.1527 . . 135 . . . . # _struct.entry_id 4I00 _struct.title 'Crystal structure of influenza A neuraminidase N3-H274Y complexed with zanamivir' _struct.pdbx_descriptor Neuraminidase _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 4I00 _struct_keywords.pdbx_keywords 'HYDROLASE/HYDROLASE INHIBITOR' _struct_keywords.text 'neuraminidase, HYDROLASE-HYDROLASE INHIBITOR complex' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 2 ? D N N 3 ? E N N 2 ? F N N 3 ? G N N 2 ? H N N 4 ? I N N 4 ? J N N 5 ? K N N 6 ? # _struct_biol.id 1 _struct_biol.details ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 1 ILE A 25 ? GLU A 29 ? ILE A 106 GLU A 110 5 ? 5 HELX_P HELX_P2 2 THR A 61 ? ASN A 65 ? THR A 142 ASN A 146 5 ? 5 HELX_P HELX_P3 3 ASN A 382 ? MET A 386 ? ASN A 463 MET A 467 5 ? 5 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order disulf1 disulf ? ? A CYS 11 SG ? ? ? 1_555 A CYS 335 SG ? ? A CYS 92 A CYS 417 1_555 ? ? ? ? ? ? ? 2.035 ? disulf2 disulf ? ? A CYS 43 SG ? ? ? 1_555 A CYS 48 SG ? ? A CYS 124 A CYS 129 1_555 ? ? ? ? ? ? ? 2.053 ? disulf3 disulf ? ? A CYS 95 SG ? ? ? 1_555 A CYS 113 SG ? ? A CYS 175 A CYS 193 1_555 ? ? ? ? ? ? ? 2.028 ? disulf4 disulf ? ? A CYS 103 SG ? ? ? 1_555 A CYS 150 SG ? ? A CYS 183 A CYS 230 1_555 ? ? ? ? ? ? ? 2.024 ? disulf5 disulf ? ? A CYS 152 SG ? ? ? 1_555 A CYS 157 SG ? ? A CYS 232 A CYS 237 1_555 ? ? ? ? ? ? ? 2.055 ? disulf6 disulf ? ? A CYS 199 SG ? ? ? 1_555 A CYS 211 SG ? ? A CYS 278 A CYS 291 1_555 ? ? ? ? ? ? ? 2.056 ? disulf7 disulf ? ? A CYS 201 SG ? ? ? 1_555 A CYS 209 SG ? ? A CYS 280 A CYS 289 1_555 ? ? ? ? ? ? ? 2.045 ? disulf8 disulf ? ? A CYS 237 SG ? ? ? 1_555 A CYS 255 SG ? ? A CYS 318 A CYS 337 1_555 ? ? ? ? ? ? ? 2.052 ? disulf9 disulf ? ? A CYS 339 SG ? ? ? 1_555 A CYS 366 SG ? ? A CYS 421 A CYS 447 1_555 ? ? ? ? ? ? ? 2.058 ? covale1 covale ? ? B NAG . O6 ? ? ? 1_555 D FUC . C1 ? ? A NAG 501 A FUC 503 1_555 ? ? ? ? ? ? ? 1.433 ? covale2 covale ? ? E NAG . O6 ? ? ? 1_555 F FUC . C1 ? ? A NAG 504 A FUC 505 1_555 ? ? ? ? ? ? ? 1.436 ? covale3 covale ? ? E NAG . O4 ? ? ? 1_555 G NAG . C1 ? ? A NAG 504 A NAG 506 1_555 ? ? ? ? ? ? ? 1.443 ? covale4 covale ? ? B NAG . O4 ? ? ? 1_555 C NAG . C1 ? ? A NAG 501 A NAG 502 1_555 ? ? ? ? ? ? ? 1.444 ? covale5 covale ? ? A ASN 65 ND2 ? ? ? 1_555 B NAG . C1 ? ? A ASN 146 A NAG 501 1_555 ? ? ? ? ? ? ? 1.445 ? covale6 covale ? ? A ASN 227 ND2 ? ? ? 1_555 E NAG . C1 ? ? A ASN 307 A NAG 504 1_555 ? ? ? ? ? ? ? 1.447 ? metalc1 metalc ? ? A ASP 213 O ? ? ? 1_555 H CA . CA ? ? A ASP 293 A CA 507 1_555 ? ? ? ? ? ? ? 2.331 ? metalc2 metalc ? ? A ASP 243 OD2 ? ? ? 1_555 H CA . CA ? ? A ASP 324 A CA 507 1_555 ? ? ? ? ? ? ? 2.401 ? metalc3 metalc ? ? A GLY 217 O ? ? ? 1_555 H CA . CA ? ? A GLY 297 A CA 507 1_555 ? ? ? ? ? ? ? 2.439 ? metalc4 metalc ? ? A GLY 263 O ? ? ? 1_555 H CA . CA ? ? A GLY 345 A CA 507 1_555 ? ? ? ? ? ? ? 2.536 ? metalc5 metalc ? ? H CA . CA ? ? ? 1_555 K HOH . O ? ? A CA 507 A HOH 639 1_555 ? ? ? ? ? ? ? 2.646 ? metalc6 metalc ? ? I CA . CA ? ? ? 1_555 K HOH . O ? ? A CA 508 A HOH 866 1_555 ? ? ? ? ? ? ? 2.995 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? metalc ? ? # loop_ _struct_mon_prot_cis.pdbx_id _struct_mon_prot_cis.label_comp_id _struct_mon_prot_cis.label_seq_id _struct_mon_prot_cis.label_asym_id _struct_mon_prot_cis.label_alt_id _struct_mon_prot_cis.pdbx_PDB_ins_code _struct_mon_prot_cis.auth_comp_id _struct_mon_prot_cis.auth_seq_id _struct_mon_prot_cis.auth_asym_id _struct_mon_prot_cis.pdbx_label_comp_id_2 _struct_mon_prot_cis.pdbx_label_seq_id_2 _struct_mon_prot_cis.pdbx_label_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_ins_code_2 _struct_mon_prot_cis.pdbx_auth_comp_id_2 _struct_mon_prot_cis.pdbx_auth_seq_id_2 _struct_mon_prot_cis.pdbx_auth_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_model_num _struct_mon_prot_cis.pdbx_omega_angle 1 THR 244 A . ? THR 325 A PRO 245 A ? PRO 326 A 1 4.75 2 ASP 249 A . ? ASP 330 A PRO 250 A ? PRO 331 A 1 -5.59 3 GLY 264 A . ? GLY 346 A PRO 265 A ? PRO 347 A 1 0.50 4 ARG 348 A . ? ARG 430 A PRO 349 A ? PRO 431 A 1 2.74 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 4 ? B ? 4 ? C ? 4 ? D ? 3 ? E ? 4 ? F ? 4 ? G ? 4 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense A 1 2 ? anti-parallel A 2 3 ? anti-parallel A 3 4 ? anti-parallel B 1 2 ? anti-parallel B 2 3 ? anti-parallel B 3 4 ? anti-parallel C 1 2 ? anti-parallel C 2 3 ? anti-parallel C 3 4 ? anti-parallel D 1 2 ? anti-parallel D 2 3 ? anti-parallel E 1 2 ? anti-parallel E 2 3 ? anti-parallel E 3 4 ? anti-parallel F 1 2 ? anti-parallel F 2 3 ? anti-parallel F 3 4 ? anti-parallel G 1 2 ? anti-parallel G 2 3 ? anti-parallel G 3 4 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id A 1 GLY A 15 ? LYS A 21 ? GLY A 96 LYS A 102 A 2 THR A 358 ? LEU A 368 ? THR A 439 LEU A 449 A 3 PHE A 336 ? GLY A 347 ? PHE A 418 GLY A 429 A 4 SER A 325 ? LYS A 331 ? SER A 407 LYS A 413 B 1 ILE A 34 ? CYS A 43 ? ILE A 115 CYS A 124 B 2 CYS A 48 ? LEU A 58 ? CYS A 129 LEU A 139 B 3 SER A 76 ? PRO A 81 ? SER A 157 PRO A 162 B 4 LYS A 92 ? ILE A 96 ? LYS A 172 ILE A 176 C 1 SER A 99 ? PHE A 104 ? SER A 179 PHE A 184 C 2 TRP A 109 ? THR A 115 ? TRP A 189 THR A 195 C 3 SER A 122 ? TYR A 127 ? SER A 202 TYR A 207 C 4 ARG A 130 ? LYS A 136 ? ARG A 210 LYS A 216 D 1 ARG A 144 ? THR A 145 ? ARG A 224 THR A 225 D 2 THR A 156 ? ASP A 163 ? THR A 236 ASP A 243 D 3 GLN A 151 ? ILE A 153 ? GLN A 231 ILE A 233 E 1 ARG A 144 ? THR A 145 ? ARG A 224 THR A 225 E 2 THR A 156 ? ASP A 163 ? THR A 236 ASP A 243 E 3 ASP A 171 ? ARG A 178 ? ASP A 251 ARG A 258 E 4 LYS A 181 ? ASN A 187 ? LYS A 261 ASN A 267 F 1 GLU A 197 ? VAL A 203 ? GLU A 276 VAL A 282 F 2 VAL A 207 ? ARG A 212 ? VAL A 287 ARG A 292 F 3 PRO A 221 ? ILE A 225 ? PRO A 301 ILE A 305 F 4 ILE A 230 ? TYR A 235 ? ILE A 311 TYR A 316 G 1 GLY A 271 ? ALA A 274 ? GLY A 353 ALA A 356 G 2 ASP A 277 ? ARG A 282 ? ASP A 359 ARG A 364 G 3 SER A 290 ? THR A 298 ? SER A 372 THR A 380 G 4 VAL A 308 ? TRP A 321 ? VAL A 390 TRP A 403 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id A 1 2 N PHE A 19 ? N PHE A 100 O THR A 364 ? O THR A 445 A 2 3 O GLY A 367 ? O GLY A 448 N PRO A 338 ? N PRO A 420 A 3 4 O GLN A 337 ? O GLN A 419 N VAL A 330 ? N VAL A 412 B 1 2 N TYR A 40 ? N TYR A 121 O PHE A 51 ? O PHE A 132 B 2 3 N ALA A 54 ? N ALA A 135 O SER A 76 ? O SER A 157 B 3 4 N LEU A 77 ? N LEU A 158 O ILE A 94 ? O ILE A 174 C 1 2 N CYS A 103 ? N CYS A 183 O MET A 110 ? O MET A 190 C 2 3 N CYS A 113 ? N CYS A 193 O GLN A 124 ? O GLN A 204 C 3 4 N ALA A 123 ? N ALA A 203 O ILE A 135 ? O ILE A 215 D 1 2 N ARG A 144 ? N ARG A 224 O THR A 162 ? O THR A 242 D 2 3 O VAL A 158 ? O VAL A 238 N GLN A 151 ? N GLN A 231 E 1 2 N ARG A 144 ? N ARG A 224 O THR A 162 ? O THR A 242 E 2 3 N CYS A 157 ? N CYS A 237 O ILE A 177 ? O ILE A 257 E 3 4 N TRP A 176 ? N TRP A 256 O ILE A 183 ? O ILE A 263 F 1 2 N SER A 200 ? N SER A 279 O ILE A 210 ? O ILE A 290 F 2 3 N VAL A 207 ? N VAL A 287 O ILE A 225 ? O ILE A 305 F 3 4 N ARG A 224 ? N ARG A 304 O LEU A 231 ? O LEU A 312 G 1 2 N PHE A 272 ? N PHE A 354 O TRP A 279 ? O TRP A 361 G 2 3 N ARG A 282 ? N ARG A 364 O GLU A 293 ? O GLU A 375 G 3 4 N THR A 298 ? N THR A 380 O VAL A 308 ? O VAL A 390 # loop_ _struct_site.id _struct_site.pdbx_evidence_code _struct_site.pdbx_auth_asym_id _struct_site.pdbx_auth_comp_id _struct_site.pdbx_auth_seq_id _struct_site.pdbx_auth_ins_code _struct_site.pdbx_num_residues _struct_site.details AC1 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE CA A 507' AC2 Software ? ? ? ? 8 'BINDING SITE FOR RESIDUE CA A 508' AC3 Software ? ? ? ? 19 'BINDING SITE FOR RESIDUE ZMR A 509' AC4 Software ? ? ? ? 9 'BINDING SITE FOR LINKED RESIDUES A 501 to 503' AC5 Software ? ? ? ? 12 'BINDING SITE FOR LINKED RESIDUES A 504 to 506' # loop_ _struct_site_gen.id _struct_site_gen.site_id _struct_site_gen.pdbx_num_res _struct_site_gen.label_comp_id _struct_site_gen.label_asym_id _struct_site_gen.label_seq_id _struct_site_gen.pdbx_auth_ins_code _struct_site_gen.auth_comp_id _struct_site_gen.auth_asym_id _struct_site_gen.auth_seq_id _struct_site_gen.label_atom_id _struct_site_gen.label_alt_id _struct_site_gen.symmetry _struct_site_gen.details 1 AC1 5 ASP A 213 ? ASP A 293 . ? 1_555 ? 2 AC1 5 GLY A 217 ? GLY A 297 . ? 1_555 ? 3 AC1 5 ASP A 243 ? ASP A 324 . ? 1_555 ? 4 AC1 5 GLY A 263 ? GLY A 345 . ? 1_555 ? 5 AC1 5 HOH K . ? HOH A 639 . ? 1_555 ? 6 AC2 8 ASP A 32 ? ASP A 113 . ? 1_555 ? 7 AC2 8 ASP A 32 ? ASP A 113 . ? 3_555 ? 8 AC2 8 ASP A 32 ? ASP A 113 . ? 4_555 ? 9 AC2 8 ASP A 32 ? ASP A 113 . ? 2_555 ? 10 AC2 8 HOH K . ? HOH A 866 . ? 3_555 ? 11 AC2 8 HOH K . ? HOH A 866 . ? 4_555 ? 12 AC2 8 HOH K . ? HOH A 866 . ? 2_555 ? 13 AC2 8 HOH K . ? HOH A 866 . ? 1_555 ? 14 AC3 19 ARG A 37 ? ARG A 118 . ? 1_555 ? 15 AC3 19 GLU A 38 ? GLU A 119 . ? 1_555 ? 16 AC3 19 ASP A 70 ? ASP A 151 . ? 1_555 ? 17 AC3 19 ARG A 71 ? ARG A 152 . ? 1_555 ? 18 AC3 19 ARG A 75 ? ARG A 156 . ? 1_555 ? 19 AC3 19 TRP A 98 ? TRP A 178 . ? 1_555 ? 20 AC3 19 ILE A 142 ? ILE A 222 . ? 1_555 ? 21 AC3 19 ARG A 144 ? ARG A 224 . ? 1_555 ? 22 AC3 19 GLU A 147 ? GLU A 227 . ? 1_555 ? 23 AC3 19 GLU A 197 ? GLU A 276 . ? 1_555 ? 24 AC3 19 GLU A 198 ? GLU A 277 . ? 1_555 ? 25 AC3 19 ARG A 212 ? ARG A 292 . ? 1_555 ? 26 AC3 19 ARG A 289 ? ARG A 371 . ? 1_555 ? 27 AC3 19 TYR A 324 ? TYR A 406 . ? 1_555 ? 28 AC3 19 HOH K . ? HOH A 674 . ? 1_555 ? 29 AC3 19 HOH K . ? HOH A 720 . ? 1_555 ? 30 AC3 19 HOH K . ? HOH A 796 . ? 1_555 ? 31 AC3 19 HOH K . ? HOH A 837 . ? 1_555 ? 32 AC3 19 HOH K . ? HOH A 987 . ? 1_555 ? 33 AC4 9 ASN A 65 ? ASN A 146 . ? 1_555 ? 34 AC4 9 SER A 356 ? SER A 437 . ? 1_555 ? 35 AC4 9 LYS A 388 ? LYS A 469 . ? 1_555 ? 36 AC4 9 HOH K . ? HOH A 742 . ? 1_555 ? 37 AC4 9 HOH K . ? HOH A 743 . ? 1_555 ? 38 AC4 9 HOH K . ? HOH A 746 . ? 1_555 ? 39 AC4 9 HOH K . ? HOH A 758 . ? 1_555 ? 40 AC4 9 HOH K . ? HOH A 765 . ? 1_555 ? 41 AC4 9 HOH K . ? HOH A 922 . ? 1_555 ? 42 AC5 12 ASN A 227 ? ASN A 307 . ? 1_555 ? 43 AC5 12 GLU A 228 ? GLU A 308 . ? 1_555 ? 44 AC5 12 HOH K . ? HOH A 671 . ? 1_555 ? 45 AC5 12 HOH K . ? HOH A 721 . ? 1_555 ? 46 AC5 12 HOH K . ? HOH A 766 . ? 1_555 ? 47 AC5 12 HOH K . ? HOH A 816 . ? 1_555 ? 48 AC5 12 HOH K . ? HOH A 851 . ? 1_555 ? 49 AC5 12 HOH K . ? HOH A 853 . ? 1_555 ? 50 AC5 12 HOH K . ? HOH A 915 . ? 1_555 ? 51 AC5 12 HOH K . ? HOH A 923 . ? 1_555 ? 52 AC5 12 HOH K . ? HOH A 927 . ? 1_555 ? 53 AC5 12 HOH K . ? HOH A 1006 . ? 1_555 ? # _database_PDB_matrix.entry_id 4I00 _database_PDB_matrix.origx[1][1] 1.000000 _database_PDB_matrix.origx[1][2] 0.000000 _database_PDB_matrix.origx[1][3] 0.000000 _database_PDB_matrix.origx[2][1] 0.000000 _database_PDB_matrix.origx[2][2] 1.000000 _database_PDB_matrix.origx[2][3] 0.000000 _database_PDB_matrix.origx[3][1] 0.000000 _database_PDB_matrix.origx[3][2] 0.000000 _database_PDB_matrix.origx[3][3] 1.000000 _database_PDB_matrix.origx_vector[1] 0.00000 _database_PDB_matrix.origx_vector[2] 0.00000 _database_PDB_matrix.origx_vector[3] 0.00000 # _atom_sites.entry_id 4I00 _atom_sites.fract_transf_matrix[1][1] 0.009404 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.009404 _atom_sites.fract_transf_matrix[2][3] 0.000000 _atom_sites.fract_transf_matrix[3][1] 0.000000 _atom_sites.fract_transf_matrix[3][2] 0.000000 _atom_sites.fract_transf_matrix[3][3] 0.015444 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C CA N O S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . PHE A 1 1 ? -8.491 2.005 3.187 1.00 70.62 ? 82 PHE A N 1 ATOM 2 C CA . PHE A 1 1 ? -9.887 2.399 3.032 1.00 72.52 ? 82 PHE A CA 1 ATOM 3 C C . PHE A 1 1 ? -10.842 1.387 3.657 1.00 71.39 ? 82 PHE A C 1 ATOM 4 O O . PHE A 1 1 ? -10.690 0.175 3.483 1.00 76.29 ? 82 PHE A O 1 ATOM 5 C CB . PHE A 1 1 ? -10.245 2.593 1.555 1.00 72.60 ? 82 PHE A CB 1 ATOM 6 C CG . PHE A 1 1 ? -11.719 2.780 1.308 1.00 72.95 ? 82 PHE A CG 1 ATOM 7 C CD1 . PHE A 1 1 ? -12.281 4.047 1.313 1.00 73.60 ? 82 PHE A CD1 1 ATOM 8 C CD2 . PHE A 1 1 ? -12.542 1.688 1.075 1.00 71.32 ? 82 PHE A CD2 1 ATOM 9 C CE1 . PHE A 1 1 ? -13.638 4.224 1.086 1.00 71.44 ? 82 PHE A CE1 1 ATOM 10 C CE2 . PHE A 1 1 ? -13.898 1.855 0.849 1.00 70.34 ? 82 PHE A CE2 1 ATOM 11 C CZ . PHE A 1 1 ? -14.448 3.127 0.856 1.00 70.42 ? 82 PHE A CZ 1 ATOM 12 N N . ARG A 1 2 ? -11.826 1.900 4.385 1.00 44.35 ? 83 ARG A N 1 ATOM 13 C CA . ARG A 1 2 ? -12.861 1.072 4.979 1.00 40.61 ? 83 ARG A CA 1 ATOM 14 C C . ARG A 1 2 ? -14.205 1.666 4.587 1.00 37.00 ? 83 ARG A C 1 ATOM 15 O O . ARG A 1 2 ? -14.378 2.881 4.615 1.00 34.82 ? 83 ARG A O 1 ATOM 16 C CB . ARG A 1 2 ? -12.725 1.058 6.502 1.00 39.51 ? 83 ARG A CB 1 ATOM 17 C CG . ARG A 1 2 ? -11.293 0.967 7.017 1.00 40.76 ? 83 ARG A CG 1 ATOM 18 C CD . ARG A 1 2 ? -10.585 -0.264 6.485 1.00 46.08 ? 83 ARG A CD 1 ATOM 19 N NE . ARG A 1 2 ? -11.093 -1.503 7.068 1.00 47.26 ? 83 ARG A NE 1 ATOM 20 C CZ . ARG A 1 2 ? -10.425 -2.236 7.954 1.00 46.97 ? 83 ARG A CZ 1 ATOM 21 N NH1 . ARG A 1 2 ? -9.218 -1.856 8.358 1.00 46.92 ? 83 ARG A NH1 1 ATOM 22 N NH2 . ARG A 1 2 ? -10.957 -3.355 8.433 1.00 44.25 ? 83 ARG A NH2 1 ATOM 23 N N . PRO A 1 3 ? -15.165 0.816 4.207 1.00 32.34 ? 84 PRO A N 1 ATOM 24 C CA . PRO A 1 3 ? -16.480 1.356 3.856 1.00 27.11 ? 84 PRO A CA 1 ATOM 25 C C . PRO A 1 3 ? -17.303 1.635 5.106 1.00 24.59 ? 84 PRO A C 1 ATOM 26 O O . PRO A 1 3 ? -17.059 1.041 6.158 1.00 21.21 ? 84 PRO A O 1 ATOM 27 C CB . PRO A 1 3 ? -17.140 0.210 3.073 1.00 28.79 ? 84 PRO A CB 1 ATOM 28 C CG . PRO A 1 3 ? -16.108 -0.882 2.965 1.00 34.12 ? 84 PRO A CG 1 ATOM 29 C CD . PRO A 1 3 ? -15.105 -0.641 4.043 1.00 29.48 ? 84 PRO A CD 1 ATOM 30 N N . PHE A 1 4 ? -18.282 2.524 4.986 1.00 24.60 ? 85 PHE A N 1 ATOM 31 C CA . PHE A 1 4 ? -19.245 2.722 6.057 1.00 19.59 ? 85 PHE A CA 1 ATOM 32 C C . PHE A 1 4 ? -19.993 1.420 6.303 1.00 21.49 ? 85 PHE A C 1 ATOM 33 O O . PHE A 1 4 ? -20.253 0.661 5.375 1.00 22.36 ? 85 PHE A O 1 ATOM 34 C CB . PHE A 1 4 ? -20.260 3.807 5.690 1.00 20.16 ? 85 PHE A CB 1 ATOM 35 C CG . PHE A 1 4 ? -19.726 5.210 5.782 1.00 21.67 ? 85 PHE A CG 1 ATOM 36 C CD1 . PHE A 1 4 ? -19.077 5.650 6.923 1.00 17.27 ? 85 PHE A CD1 1 ATOM 37 C CD2 . PHE A 1 4 ? -19.920 6.102 4.743 1.00 21.44 ? 85 PHE A CD2 1 ATOM 38 C CE1 . PHE A 1 4 ? -18.598 6.935 7.012 1.00 18.68 ? 85 PHE A CE1 1 ATOM 39 C CE2 . PHE A 1 4 ? -19.446 7.399 4.823 1.00 21.55 ? 85 PHE A CE2 1 ATOM 40 C CZ . PHE A 1 4 ? -18.784 7.821 5.961 1.00 21.33 ? 85 PHE A CZ 1 ATOM 41 N N . LYS A 1 5 ? -20.357 1.171 7.551 1.00 22.14 ? 86 LYS A N 1 ATOM 42 C CA . LYS A 1 5 ? -21.168 0.007 7.864 1.00 20.08 ? 86 LYS A CA 1 ATOM 43 C C . LYS A 1 5 ? -22.501 0.026 7.105 1.00 23.31 ? 86 LYS A C 1 ATOM 44 O O . LYS A 1 5 ? -23.080 1.090 6.879 1.00 23.37 ? 86 LYS A O 1 ATOM 45 C CB . LYS A 1 5 ? -21.410 -0.096 9.366 1.00 22.62 ? 86 LYS A CB 1 ATOM 46 C CG . LYS A 1 5 ? -20.218 -0.632 10.134 1.00 26.80 ? 86 LYS A CG 1 ATOM 47 C CD . LYS A 1 5 ? -20.241 -0.173 11.579 1.00 27.11 ? 86 LYS A CD 1 ATOM 48 C CE . LYS A 1 5 ? -21.488 -0.647 12.305 1.00 24.08 ? 86 LYS A CE 1 ATOM 49 N NZ . LYS A 1 5 ? -21.449 -0.247 13.753 1.00 19.31 ? 86 LYS A NZ 1 ATOM 50 N N . SER A 1 6 ? -22.956 -1.162 6.717 1.00 19.54 ? 87 SER A N 1 ATOM 51 C CA . SER A 1 6 ? -24.158 -1.362 5.900 1.00 22.82 ? 87 SER A CA 1 ATOM 52 C C . SER A 1 6 ? -25.376 -1.770 6.724 1.00 23.39 ? 87 SER A C 1 ATOM 53 O O . SER A 1 6 ? -25.244 -2.183 7.871 1.00 21.91 ? 87 SER A O 1 ATOM 54 C CB . SER A 1 6 ? -23.895 -2.445 4.849 1.00 23.92 ? 87 SER A CB 1 ATOM 55 O OG . SER A 1 6 ? -23.007 -1.980 3.850 1.00 28.41 ? 87 SER A OG 1 ATOM 56 N N . PRO A 1 7 ? -26.577 -1.659 6.131 1.00 22.99 ? 88 PRO A N 1 ATOM 57 C CA . PRO A 1 7 ? -27.822 -2.100 6.777 1.00 21.38 ? 88 PRO A CA 1 ATOM 58 C C . PRO A 1 7 ? -28.028 -3.621 6.739 1.00 24.51 ? 88 PRO A C 1 ATOM 59 O O . PRO A 1 7 ? -28.960 -4.101 6.088 1.00 27.63 ? 88 PRO A O 1 ATOM 60 C CB . PRO A 1 7 ? -28.900 -1.421 5.928 1.00 23.99 ? 88 PRO A CB 1 ATOM 61 C CG . PRO A 1 7 ? -28.276 -1.316 4.570 1.00 27.17 ? 88 PRO A CG 1 ATOM 62 C CD . PRO A 1 7 ? -26.837 -0.957 4.861 1.00 24.11 ? 88 PRO A CD 1 ATOM 63 N N . LEU A 1 8 ? -27.183 -4.375 7.435 1.00 21.24 ? 89 LEU A N 1 ATOM 64 C CA . LEU A 1 8 ? -27.281 -5.836 7.425 1.00 22.87 ? 89 LEU A CA 1 ATOM 65 C C . LEU A 1 8 ? -28.400 -6.372 8.316 1.00 18.74 ? 89 LEU A C 1 ATOM 66 O O . LEU A 1 8 ? -28.766 -5.753 9.313 1.00 18.93 ? 89 LEU A O 1 ATOM 67 C CB . LEU A 1 8 ? -25.944 -6.458 7.853 1.00 19.57 ? 89 LEU A CB 1 ATOM 68 C CG . LEU A 1 8 ? -24.724 -6.136 6.986 1.00 21.95 ? 89 LEU A CG 1 ATOM 69 C CD1 . LEU A 1 8 ? -23.432 -6.696 7.618 1.00 21.30 ? 89 LEU A CD1 1 ATOM 70 C CD2 . LEU A 1 8 ? -24.915 -6.697 5.588 1.00 24.63 ? 89 LEU A CD2 1 ATOM 71 N N . PRO A 1 9 ? -28.940 -7.547 7.967 1.00 20.96 ? 90 PRO A N 1 ATOM 72 C CA . PRO A 1 9 ? -29.917 -8.223 8.819 1.00 23.00 ? 90 PRO A CA 1 ATOM 73 C C . PRO A 1 9 ? -29.236 -8.807 10.047 1.00 22.51 ? 90 PRO A C 1 ATOM 74 O O . PRO A 1 9 ? -28.030 -9.031 10.020 1.00 20.93 ? 90 PRO A O 1 ATOM 75 C CB . PRO A 1 9 ? -30.391 -9.378 7.936 1.00 23.76 ? 90 PRO A CB 1 ATOM 76 C CG . PRO A 1 9 ? -29.204 -9.653 7.050 1.00 23.88 ? 90 PRO A CG 1 ATOM 77 C CD . PRO A 1 9 ? -28.687 -8.292 6.722 1.00 23.56 ? 90 PRO A CD 1 ATOM 78 N N . LEU A 1 10 ? -30.003 -9.042 11.101 1.00 22.64 ? 91 LEU A N 1 ATOM 79 C CA . LEU A 1 10 ? -29.494 -9.740 12.267 1.00 22.59 ? 91 LEU A CA 1 ATOM 80 C C . LEU A 1 10 ? -29.226 -11.193 11.885 1.00 26.67 ? 91 LEU A C 1 ATOM 81 O O . LEU A 1 10 ? -29.986 -11.781 11.120 1.00 26.48 ? 91 LEU A O 1 ATOM 82 C CB . LEU A 1 10 ? -30.530 -9.665 13.382 1.00 26.63 ? 91 LEU A CB 1 ATOM 83 C CG . LEU A 1 10 ? -30.099 -9.677 14.844 1.00 21.84 ? 91 LEU A CG 1 ATOM 84 C CD1 . LEU A 1 10 ? -29.102 -8.568 15.123 1.00 17.70 ? 91 LEU A CD1 1 ATOM 85 C CD2 . LEU A 1 10 ? -31.324 -9.550 15.740 1.00 22.41 ? 91 LEU A CD2 1 ATOM 86 N N . CYS A 1 11 ? -28.144 -11.772 12.408 1.00 22.74 ? 92 CYS A N 1 ATOM 87 C CA . CYS A 1 11 ? -27.851 -13.187 12.182 1.00 24.00 ? 92 CYS A CA 1 ATOM 88 C C . CYS A 1 11 ? -28.872 -14.068 12.888 1.00 21.65 ? 92 CYS A C 1 ATOM 89 O O . CYS A 1 11 ? -29.439 -13.680 13.897 1.00 25.50 ? 92 CYS A O 1 ATOM 90 C CB . CYS A 1 11 ? -26.460 -13.542 12.717 1.00 23.51 ? 92 CYS A CB 1 ATOM 91 S SG . CYS A 1 11 ? -25.089 -12.611 12.020 1.00 23.86 ? 92 CYS A SG 1 ATOM 92 N N . PRO A 1 12 ? -29.093 -15.285 12.368 1.00 27.49 ? 93 PRO A N 1 ATOM 93 C CA . PRO A 1 12 ? -29.933 -16.261 13.069 1.00 28.29 ? 93 PRO A CA 1 ATOM 94 C C . PRO A 1 12 ? -29.341 -16.606 14.431 1.00 24.92 ? 93 PRO A C 1 ATOM 95 O O . PRO A 1 12 ? -28.118 -16.647 14.569 1.00 25.08 ? 93 PRO A O 1 ATOM 96 C CB . PRO A 1 12 ? -29.863 -17.494 12.169 1.00 27.68 ? 93 PRO A CB 1 ATOM 97 C CG . PRO A 1 12 ? -29.459 -16.987 10.829 1.00 32.30 ? 93 PRO A CG 1 ATOM 98 C CD . PRO A 1 12 ? -28.627 -15.766 11.059 1.00 24.11 ? 93 PRO A CD 1 ATOM 99 N N . PHE A 1 13 ? -30.191 -16.836 15.425 1.00 22.99 ? 94 PHE A N 1 ATOM 100 C CA . PHE A 1 13 ? -29.712 -17.262 16.736 1.00 22.76 ? 94 PHE A CA 1 ATOM 101 C C . PHE A 1 13 ? -30.789 -17.994 17.516 1.00 24.07 ? 94 PHE A C 1 ATOM 102 O O . PHE A 1 13 ? -31.997 -17.741 17.347 1.00 21.52 ? 94 PHE A O 1 ATOM 103 C CB . PHE A 1 13 ? -29.168 -16.070 17.553 1.00 18.47 ? 94 PHE A CB 1 ATOM 104 C CG . PHE A 1 13 ? -30.206 -15.015 17.849 1.00 19.48 ? 94 PHE A CG 1 ATOM 105 C CD1 . PHE A 1 13 ? -30.805 -14.938 19.097 1.00 20.08 ? 94 PHE A CD1 1 ATOM 106 C CD2 . PHE A 1 13 ? -30.581 -14.111 16.876 1.00 21.39 ? 94 PHE A CD2 1 ATOM 107 C CE1 . PHE A 1 13 ? -31.769 -13.969 19.371 1.00 22.98 ? 94 PHE A CE1 1 ATOM 108 C CE2 . PHE A 1 13 ? -31.539 -13.145 17.136 1.00 18.07 ? 94 PHE A CE2 1 ATOM 109 C CZ . PHE A 1 13 ? -32.134 -13.071 18.390 1.00 21.31 ? 94 PHE A CZ 1 ATOM 110 N N . ARG A 1 14 ? -30.360 -18.910 18.379 1.00 22.69 ? 95 ARG A N 1 ATOM 111 C CA . ARG A 1 14 ? -31.322 -19.613 19.212 1.00 24.79 ? 95 ARG A CA 1 ATOM 112 C C . ARG A 1 14 ? -30.915 -19.670 20.678 1.00 23.48 ? 95 ARG A C 1 ATOM 113 O O . ARG A 1 14 ? -31.569 -20.322 21.482 1.00 22.76 ? 95 ARG A O 1 ATOM 114 C CB . ARG A 1 14 ? -31.615 -21.010 18.659 1.00 29.01 ? 95 ARG A CB 1 ATOM 115 C CG . ARG A 1 14 ? -30.501 -21.996 18.850 1.00 31.13 ? 95 ARG A CG 1 ATOM 116 C CD . ARG A 1 14 ? -30.831 -23.316 18.148 1.00 33.59 ? 95 ARG A CD 1 ATOM 117 N NE . ARG A 1 14 ? -30.943 -23.127 16.705 1.00 37.31 ? 95 ARG A NE 1 ATOM 118 C CZ . ARG A 1 14 ? -31.327 -24.068 15.849 1.00 48.77 ? 95 ARG A CZ 1 ATOM 119 N NH1 . ARG A 1 14 ? -31.655 -25.283 16.288 1.00 45.26 ? 95 ARG A NH1 1 ATOM 120 N NH2 . ARG A 1 14 ? -31.391 -23.787 14.552 1.00 48.72 ? 95 ARG A NH2 1 ATOM 121 N N . GLY A 1 15 ? -29.837 -18.977 21.035 1.00 20.95 ? 96 GLY A N 1 ATOM 122 C CA . GLY A 1 15 ? -29.479 -18.879 22.435 1.00 20.68 ? 96 GLY A CA 1 ATOM 123 C C . GLY A 1 15 ? -28.270 -17.982 22.621 1.00 17.85 ? 96 GLY A C 1 ATOM 124 O O . GLY A 1 15 ? -27.627 -17.598 21.658 1.00 17.88 ? 96 GLY A O 1 ATOM 125 N N . PHE A 1 16 ? -27.983 -17.648 23.869 1.00 16.57 ? 97 PHE A N 1 ATOM 126 C CA . PHE A 1 16 ? -26.899 -16.736 24.184 1.00 17.01 ? 97 PHE A CA 1 ATOM 127 C C . PHE A 1 16 ? -25.808 -17.419 24.988 1.00 17.32 ? 97 PHE A C 1 ATOM 128 O O . PHE A 1 16 ? -26.078 -18.317 25.790 1.00 19.21 ? 97 PHE A O 1 ATOM 129 C CB . PHE A 1 16 ? -27.460 -15.507 24.884 1.00 17.88 ? 97 PHE A CB 1 ATOM 130 C CG . PHE A 1 16 ? -28.218 -14.617 23.956 1.00 18.05 ? 97 PHE A CG 1 ATOM 131 C CD1 . PHE A 1 16 ? -27.582 -13.553 23.333 1.00 15.38 ? 97 PHE A CD1 1 ATOM 132 C CD2 . PHE A 1 16 ? -29.554 -14.864 23.662 1.00 20.29 ? 97 PHE A CD2 1 ATOM 133 C CE1 . PHE A 1 16 ? -28.275 -12.729 22.453 1.00 16.17 ? 97 PHE A CE1 1 ATOM 134 C CE2 . PHE A 1 16 ? -30.247 -14.059 22.780 1.00 20.18 ? 97 PHE A CE2 1 ATOM 135 C CZ . PHE A 1 16 ? -29.610 -12.983 22.178 1.00 18.30 ? 97 PHE A CZ 1 ATOM 136 N N . PHE A 1 17 ? -24.571 -16.981 24.755 1.00 15.38 ? 98 PHE A N 1 ATOM 137 C CA . PHE A 1 17 ? -23.379 -17.680 25.232 1.00 14.85 ? 98 PHE A CA 1 ATOM 138 C C . PHE A 1 17 ? -22.411 -16.698 25.895 1.00 14.70 ? 98 PHE A C 1 ATOM 139 O O . PHE A 1 17 ? -22.245 -15.576 25.424 1.00 13.19 ? 98 PHE A O 1 ATOM 140 C CB . PHE A 1 17 ? -22.682 -18.355 24.045 1.00 14.32 ? 98 PHE A CB 1 ATOM 141 C CG . PHE A 1 17 ? -23.486 -19.470 23.416 1.00 15.43 ? 98 PHE A CG 1 ATOM 142 C CD1 . PHE A 1 17 ? -23.152 -20.801 23.642 1.00 19.25 ? 98 PHE A CD1 1 ATOM 143 C CD2 . PHE A 1 17 ? -24.573 -19.188 22.604 1.00 17.79 ? 98 PHE A CD2 1 ATOM 144 C CE1 . PHE A 1 17 ? -23.891 -21.829 23.067 1.00 18.21 ? 98 PHE A CE1 1 ATOM 145 C CE2 . PHE A 1 17 ? -25.320 -20.215 22.030 1.00 19.81 ? 98 PHE A CE2 1 ATOM 146 C CZ . PHE A 1 17 ? -24.976 -21.530 22.258 1.00 19.64 ? 98 PHE A CZ 1 ATOM 147 N N . PRO A 1 18 ? -21.743 -17.122 26.981 1.00 14.26 ? 99 PRO A N 1 ATOM 148 C CA . PRO A 1 18 ? -20.822 -16.237 27.717 1.00 13.32 ? 99 PRO A CA 1 ATOM 149 C C . PRO A 1 18 ? -19.613 -15.823 26.887 1.00 12.02 ? 99 PRO A C 1 ATOM 150 O O . PRO A 1 18 ? -18.957 -16.662 26.280 1.00 13.55 ? 99 PRO A O 1 ATOM 151 C CB . PRO A 1 18 ? -20.376 -17.093 28.905 1.00 15.61 ? 99 PRO A CB 1 ATOM 152 C CG . PRO A 1 18 ? -20.603 -18.498 28.471 1.00 15.83 ? 99 PRO A CG 1 ATOM 153 C CD . PRO A 1 18 ? -21.766 -18.491 27.532 1.00 15.54 ? 99 PRO A CD 1 ATOM 154 N N . PHE A 1 19 ? -19.337 -14.520 26.874 1.00 12.94 ? 100 PHE A N 1 ATOM 155 C CA . PHE A 1 19 ? -18.319 -13.943 25.990 1.00 11.43 ? 100 PHE A CA 1 ATOM 156 C C . PHE A 1 19 ? -17.129 -13.439 26.804 1.00 11.78 ? 100 PHE A C 1 ATOM 157 O O . PHE A 1 19 ? -16.140 -14.166 26.991 1.00 13.11 ? 100 PHE A O 1 ATOM 158 C CB . PHE A 1 19 ? -18.998 -12.798 25.240 1.00 13.12 ? 100 PHE A CB 1 ATOM 159 C CG . PHE A 1 19 ? -18.244 -12.262 24.045 1.00 13.62 ? 100 PHE A CG 1 ATOM 160 C CD1 . PHE A 1 19 ? -17.306 -13.013 23.367 1.00 14.64 ? 100 PHE A CD1 1 ATOM 161 C CD2 . PHE A 1 19 ? -18.546 -10.986 23.575 1.00 13.57 ? 100 PHE A CD2 1 ATOM 162 C CE1 . PHE A 1 19 ? -16.642 -12.483 22.255 1.00 13.55 ? 100 PHE A CE1 1 ATOM 163 C CE2 . PHE A 1 19 ? -17.894 -10.459 22.464 1.00 12.89 ? 100 PHE A CE2 1 ATOM 164 C CZ . PHE A 1 19 ? -16.945 -11.201 21.808 1.00 13.34 ? 100 PHE A CZ 1 ATOM 165 N N . HIS A 1 20 ? -17.243 -12.199 27.296 1.00 11.05 ? 101 HIS A N 1 ATOM 166 C CA . HIS A 1 20 ? -16.191 -11.565 28.096 1.00 11.23 ? 101 HIS A CA 1 ATOM 167 C C . HIS A 1 20 ? -16.735 -11.218 29.481 1.00 11.44 ? 101 HIS A C 1 ATOM 168 O O . HIS A 1 20 ? -17.899 -10.835 29.618 1.00 13.00 ? 101 HIS A O 1 ATOM 169 C CB . HIS A 1 20 ? -15.727 -10.254 27.443 1.00 9.69 ? 101 HIS A CB 1 ATOM 170 C CG . HIS A 1 20 ? -14.952 -10.420 26.172 1.00 10.57 ? 101 HIS A CG 1 ATOM 171 N ND1 . HIS A 1 20 ? -13.575 -10.564 26.147 1.00 10.67 ? 101 HIS A ND1 1 ATOM 172 C CD2 . HIS A 1 20 ? -15.349 -10.393 24.875 1.00 12.63 ? 101 HIS A CD2 1 ATOM 173 C CE1 . HIS A 1 20 ? -13.170 -10.648 24.890 1.00 9.85 ? 101 HIS A CE1 1 ATOM 174 N NE2 . HIS A 1 20 ? -14.224 -10.549 24.101 1.00 10.10 ? 101 HIS A NE2 1 ATOM 175 N N . LYS A 1 21 ? -15.888 -11.305 30.502 1.00 12.19 ? 102 LYS A N 1 ATOM 176 C CA . LYS A 1 21 ? -16.282 -10.893 31.851 1.00 11.23 ? 102 LYS A CA 1 ATOM 177 C C . LYS A 1 21 ? -15.090 -10.249 32.534 1.00 11.89 ? 102 LYS A C 1 ATOM 178 O O . LYS A 1 21 ? -14.012 -10.826 32.545 1.00 11.85 ? 102 LYS A O 1 ATOM 179 C CB . LYS A 1 21 ? -16.737 -12.111 32.664 1.00 12.45 ? 102 LYS A CB 1 ATOM 180 C CG . LYS A 1 21 ? -17.273 -11.763 34.049 1.00 13.25 ? 102 LYS A CG 1 ATOM 181 C CD . LYS A 1 21 ? -17.639 -13.061 34.805 1.00 16.08 ? 102 LYS A CD 1 ATOM 182 C CE . LYS A 1 21 ? -18.487 -12.764 36.042 1.00 17.95 ? 102 LYS A CE 1 ATOM 183 N NZ . LYS A 1 21 ? -17.774 -11.904 37.012 1.00 15.66 ? 102 LYS A NZ 1 ATOM 184 N N . ASP A 1 22 ? -15.271 -9.067 33.125 1.00 11.70 ? 103 ASP A N 1 ATOM 185 C CA . ASP A 1 22 ? -14.099 -8.352 33.641 1.00 13.88 ? 103 ASP A CA 1 ATOM 186 C C . ASP A 1 22 ? -13.762 -8.575 35.122 1.00 12.63 ? 103 ASP A C 1 ATOM 187 O O . ASP A 1 22 ? -12.627 -8.393 35.517 1.00 12.58 ? 103 ASP A O 1 ATOM 188 C CB . ASP A 1 22 ? -14.081 -6.861 33.255 1.00 12.52 ? 103 ASP A CB 1 ATOM 189 C CG . ASP A 1 22 ? -15.245 -6.089 33.821 1.00 12.63 ? 103 ASP A CG 1 ATOM 190 O OD1 . ASP A 1 22 ? -15.866 -6.552 34.797 1.00 15.06 ? 103 ASP A OD1 1 ATOM 191 O OD2 . ASP A 1 22 ? -15.526 -4.980 33.297 1.00 14.77 ? 103 ASP A OD2 1 ATOM 192 N N . ASN A 1 23 ? -14.725 -9.010 35.930 1.00 12.90 ? 104 ASN A N 1 ATOM 193 C CA . ASN A 1 23 ? -14.414 -9.255 37.331 1.00 13.50 ? 104 ASN A CA 1 ATOM 194 C C . ASN A 1 23 ? -13.799 -8.019 37.976 1.00 13.36 ? 104 ASN A C 1 ATOM 195 O O . ASN A 1 23 ? -12.899 -8.122 38.817 1.00 15.31 ? 104 ASN A O 1 ATOM 196 C CB . ASN A 1 23 ? -13.445 -10.435 37.452 1.00 14.37 ? 104 ASN A CB 1 ATOM 197 C CG . ASN A 1 23 ? -14.030 -11.717 36.917 1.00 15.37 ? 104 ASN A CG 1 ATOM 198 O OD1 . ASN A 1 23 ? -13.564 -12.268 35.915 1.00 18.04 ? 104 ASN A OD1 1 ATOM 199 N ND2 . ASN A 1 23 ? -15.067 -12.200 37.577 1.00 14.09 ? 104 ASN A ND2 1 ATOM 200 N N . ALA A 1 24 ? -14.282 -6.848 37.571 1.00 13.28 ? 105 ALA A N 1 ATOM 201 C CA . ALA A 1 24 ? -13.611 -5.591 37.906 1.00 14.47 ? 105 ALA A CA 1 ATOM 202 C C . ALA A 1 24 ? -13.626 -5.293 39.399 1.00 15.54 ? 105 ALA A C 1 ATOM 203 O O . ALA A 1 24 ? -12.680 -4.733 39.930 1.00 16.15 ? 105 ALA A O 1 ATOM 204 C CB . ALA A 1 24 ? -14.223 -4.438 37.123 1.00 13.99 ? 105 ALA A CB 1 ATOM 205 N N . ILE A 1 25 ? -14.707 -5.662 40.087 1.00 15.24 ? 106 ILE A N 1 ATOM 206 C CA . ILE A 1 25 ? -14.760 -5.371 41.519 1.00 18.26 ? 106 ILE A CA 1 ATOM 207 C C . ILE A 1 25 ? -13.798 -6.282 42.299 1.00 18.42 ? 106 ILE A C 1 ATOM 208 O O . ILE A 1 25 ? -13.036 -5.809 43.135 1.00 17.50 ? 106 ILE A O 1 ATOM 209 C CB . ILE A 1 25 ? -16.193 -5.456 42.081 1.00 18.12 ? 106 ILE A CB 1 ATOM 210 C CG1 . ILE A 1 25 ? -17.140 -4.581 41.251 1.00 19.22 ? 106 ILE A CG1 1 ATOM 211 C CG2 . ILE A 1 25 ? -16.206 -5.016 43.539 1.00 19.00 ? 106 ILE A CG2 1 ATOM 212 C CD1 . ILE A 1 25 ? -16.788 -3.116 41.261 1.00 21.43 ? 106 ILE A CD1 1 ATOM 213 N N . ARG A 1 26 ? -13.826 -7.582 42.012 1.00 17.37 ? 107 ARG A N 1 ATOM 214 C CA . ARG A 1 26 ? -12.868 -8.510 42.603 1.00 16.37 ? 107 ARG A CA 1 ATOM 215 C C . ARG A 1 26 ? -11.431 -8.005 42.401 1.00 18.28 ? 107 ARG A C 1 ATOM 216 O O . ARG A 1 26 ? -10.637 -7.944 43.341 1.00 17.05 ? 107 ARG A O 1 ATOM 217 C CB . ARG A 1 26 ? -13.026 -9.905 41.986 1.00 16.23 ? 107 ARG A CB 1 ATOM 218 C CG . ARG A 1 26 ? -14.319 -10.631 42.361 1.00 16.51 ? 107 ARG A CG 1 ATOM 219 C CD . ARG A 1 26 ? -14.532 -11.857 41.489 1.00 17.46 ? 107 ARG A CD 1 ATOM 220 N NE . ARG A 1 26 ? -13.386 -12.771 41.506 1.00 16.86 ? 107 ARG A NE 1 ATOM 221 C CZ . ARG A 1 26 ? -13.271 -13.834 42.304 1.00 19.71 ? 107 ARG A CZ 1 ATOM 222 N NH1 . ARG A 1 26 ? -12.194 -14.601 42.233 1.00 18.27 ? 107 ARG A NH1 1 ATOM 223 N NH2 . ARG A 1 26 ? -14.231 -14.135 43.169 1.00 20.33 ? 107 ARG A NH2 1 ATOM 224 N N . LEU A 1 27 ? -11.108 -7.630 41.167 1.00 16.54 ? 108 LEU A N 1 ATOM 225 C CA . LEU A 1 27 ? -9.774 -7.121 40.834 1.00 17.17 ? 108 LEU A CA 1 ATOM 226 C C . LEU A 1 27 ? -9.455 -5.741 41.407 1.00 15.03 ? 108 LEU A C 1 ATOM 227 O O . LEU A 1 27 ? -8.318 -5.280 41.330 1.00 17.27 ? 108 LEU A O 1 ATOM 228 C CB . LEU A 1 27 ? -9.581 -7.108 39.316 1.00 13.67 ? 108 LEU A CB 1 ATOM 229 C CG . LEU A 1 27 ? -9.548 -8.511 38.709 1.00 13.55 ? 108 LEU A CG 1 ATOM 230 C CD1 . LEU A 1 27 ? -9.802 -8.495 37.205 1.00 14.09 ? 108 LEU A CD1 1 ATOM 231 C CD2 . LEU A 1 27 ? -8.209 -9.172 39.030 1.00 14.19 ? 108 LEU A CD2 1 ATOM 232 N N . GLY A 1 28 ? -10.459 -5.081 41.974 1.00 16.95 ? 109 GLY A N 1 ATOM 233 C CA . GLY A 1 28 ? -10.277 -3.742 42.503 1.00 15.92 ? 109 GLY A CA 1 ATOM 234 C C . GLY A 1 28 ? -10.015 -3.726 43.997 1.00 19.20 ? 109 GLY A C 1 ATOM 235 O O . GLY A 1 28 ? -9.930 -2.656 44.608 1.00 19.73 ? 109 GLY A O 1 ATOM 236 N N . GLU A 1 29 ? -9.875 -4.912 44.584 1.00 18.09 ? 110 GLU A N 1 ATOM 237 C CA . GLU A 1 29 ? -9.709 -5.025 46.029 1.00 22.17 ? 110 GLU A CA 1 ATOM 238 C C . GLU A 1 29 ? -8.531 -4.196 46.546 1.00 22.35 ? 110 GLU A C 1 ATOM 239 O O . GLU A 1 29 ? -8.583 -3.651 47.654 1.00 23.88 ? 110 GLU A O 1 ATOM 240 C CB . GLU A 1 29 ? -9.557 -6.500 46.435 1.00 22.37 ? 110 GLU A CB 1 ATOM 241 C CG . GLU A 1 29 ? -9.700 -6.751 47.927 1.00 24.25 ? 110 GLU A CG 1 ATOM 242 C CD . GLU A 1 29 ? -9.161 -8.106 48.338 1.00 25.86 ? 110 GLU A CD 1 ATOM 243 O OE1 . GLU A 1 29 ? -9.408 -9.089 47.615 1.00 23.82 ? 110 GLU A OE1 1 ATOM 244 O OE2 . GLU A 1 29 ? -8.464 -8.183 49.371 1.00 29.85 ? 110 GLU A OE2 1 ATOM 245 N N . ASN A 1 30 ? -7.475 -4.075 45.741 1.00 16.67 ? 111 ASN A N 1 ATOM 246 C CA . ASN A 1 30 ? -6.293 -3.322 46.165 1.00 19.51 ? 111 ASN A CA 1 ATOM 247 C C . ASN A 1 30 ? -6.255 -1.880 45.617 1.00 18.96 ? 111 ASN A C 1 ATOM 248 O O . ASN A 1 30 ? -5.185 -1.283 45.497 1.00 21.66 ? 111 ASN A O 1 ATOM 249 C CB . ASN A 1 30 ? -5.019 -4.092 45.793 1.00 19.75 ? 111 ASN A CB 1 ATOM 250 C CG . ASN A 1 30 ? -3.832 -3.729 46.671 1.00 24.63 ? 111 ASN A CG 1 ATOM 251 O OD1 . ASN A 1 30 ? -2.709 -3.592 46.184 1.00 24.72 ? 111 ASN A OD1 1 ATOM 252 N ND2 . ASN A 1 30 ? -4.077 -3.565 47.967 1.00 25.13 ? 111 ASN A ND2 1 ATOM 253 N N . LYS A 1 31 ? -7.430 -1.350 45.277 1.00 16.96 ? 112 LYS A N 1 ATOM 254 C CA . LYS A 1 31 ? -7.606 0.050 44.885 1.00 18.76 ? 112 LYS A CA 1 ATOM 255 C C . LYS A 1 31 ? -6.953 0.418 43.555 1.00 19.85 ? 112 LYS A C 1 ATOM 256 O O . LYS A 1 31 ? -6.520 1.554 43.378 1.00 18.67 ? 112 LYS A O 1 ATOM 257 C CB . LYS A 1 31 ? -7.101 0.993 45.986 1.00 20.58 ? 112 LYS A CB 1 ATOM 258 C CG . LYS A 1 31 ? -7.872 0.882 47.295 1.00 23.02 ? 112 LYS A CG 1 ATOM 259 C CD . LYS A 1 31 ? -7.203 1.685 48.395 1.00 27.84 ? 112 LYS A CD 1 ATOM 260 C CE . LYS A 1 31 ? -7.839 1.421 49.755 1.00 28.95 ? 112 LYS A CE 1 ATOM 261 N NZ . LYS A 1 31 ? -7.272 2.333 50.793 1.00 32.47 ? 112 LYS A NZ 1 ATOM 262 N N . ASP A 1 32 ? -6.899 -0.525 42.617 1.00 18.37 ? 113 ASP A N 1 ATOM 263 C CA . ASP A 1 32 ? -6.322 -0.227 41.297 1.00 18.38 ? 113 ASP A CA 1 ATOM 264 C C . ASP A 1 32 ? -7.371 0.242 40.284 1.00 16.34 ? 113 ASP A C 1 ATOM 265 O O . ASP A 1 32 ? -7.050 0.895 39.289 1.00 18.35 ? 113 ASP A O 1 ATOM 266 C CB . ASP A 1 32 ? -5.614 -1.458 40.738 1.00 17.89 ? 113 ASP A CB 1 ATOM 267 C CG . ASP A 1 32 ? -4.397 -1.850 41.552 1.00 20.23 ? 113 ASP A CG 1 ATOM 268 O OD1 . ASP A 1 32 ? -3.428 -1.065 41.590 1.00 23.14 ? 113 ASP A OD1 1 ATOM 269 O OD2 . ASP A 1 32 ? -4.408 -2.948 42.149 1.00 20.43 ? 113 ASP A OD2 1 ATOM 270 N N . VAL A 1 33 ? -8.625 -0.090 40.548 1.00 14.03 ? 114 VAL A N 1 ATOM 271 C CA . VAL A 1 33 ? -9.667 0.012 39.540 1.00 14.89 ? 114 VAL A CA 1 ATOM 272 C C . VAL A 1 33 ? -10.478 1.304 39.633 1.00 15.79 ? 114 VAL A C 1 ATOM 273 O O . VAL A 1 33 ? -10.836 1.761 40.720 1.00 18.25 ? 114 VAL A O 1 ATOM 274 C CB . VAL A 1 33 ? -10.604 -1.214 39.612 1.00 16.04 ? 114 VAL A CB 1 ATOM 275 C CG1 . VAL A 1 33 ? -11.738 -1.083 38.620 1.00 13.38 ? 114 VAL A CG1 1 ATOM 276 C CG2 . VAL A 1 33 ? -9.818 -2.496 39.347 1.00 14.47 ? 114 VAL A CG2 1 ATOM 277 N N . ILE A 1 34 ? -10.766 1.892 38.476 1.00 11.70 ? 115 ILE A N 1 ATOM 278 C CA . ILE A 1 34 ? -11.510 3.142 38.404 1.00 12.66 ? 115 ILE A CA 1 ATOM 279 C C . ILE A 1 34 ? -12.986 2.904 38.707 1.00 12.25 ? 115 ILE A C 1 ATOM 280 O O . ILE A 1 34 ? -13.572 1.956 38.204 1.00 14.29 ? 115 ILE A O 1 ATOM 281 C CB . ILE A 1 34 ? -11.372 3.759 36.999 1.00 10.71 ? 115 ILE A CB 1 ATOM 282 C CG1 . ILE A 1 34 ? -9.898 4.063 36.707 1.00 12.17 ? 115 ILE A CG1 1 ATOM 283 C CG2 . ILE A 1 34 ? -12.232 5.017 36.865 1.00 11.54 ? 115 ILE A CG2 1 ATOM 284 C CD1 . ILE A 1 34 ? -9.600 4.378 35.254 1.00 11.17 ? 115 ILE A CD1 1 ATOM 285 N N . VAL A 1 35 ? -13.579 3.757 39.543 1.00 12.17 ? 116 VAL A N 1 ATOM 286 C CA . VAL A 1 35 ? -15.009 3.655 39.841 1.00 16.05 ? 116 VAL A CA 1 ATOM 287 C C . VAL A 1 35 ? -15.819 4.010 38.606 1.00 13.02 ? 116 VAL A C 1 ATOM 288 O O . VAL A 1 35 ? -15.550 5.027 37.973 1.00 12.58 ? 116 VAL A O 1 ATOM 289 C CB . VAL A 1 35 ? -15.408 4.628 40.950 1.00 15.00 ? 116 VAL A CB 1 ATOM 290 C CG1 . VAL A 1 35 ? -16.933 4.619 41.132 1.00 16.06 ? 116 VAL A CG1 1 ATOM 291 C CG2 . VAL A 1 35 ? -14.670 4.285 42.239 1.00 20.13 ? 116 VAL A CG2 1 ATOM 292 N N . THR A 1 36 ? -16.797 3.177 38.262 1.00 14.24 ? 117 THR A N 1 ATOM 293 C CA . THR A 1 36 ? -17.621 3.400 37.076 1.00 13.78 ? 117 THR A CA 1 ATOM 294 C C . THR A 1 36 ? -19.112 3.133 37.356 1.00 15.80 ? 117 THR A C 1 ATOM 295 O O . THR A 1 36 ? -19.486 2.677 38.431 1.00 17.07 ? 117 THR A O 1 ATOM 296 C CB . THR A 1 36 ? -17.174 2.466 35.897 1.00 10.79 ? 117 THR A CB 1 ATOM 297 O OG1 . THR A 1 36 ? -17.312 1.092 36.281 1.00 14.12 ? 117 THR A OG1 1 ATOM 298 C CG2 . THR A 1 36 ? -15.704 2.729 35.507 1.00 11.89 ? 117 THR A CG2 1 ATOM 299 N N . ARG A 1 37 ? -19.949 3.446 36.378 1.00 14.28 ? 118 ARG A N 1 ATOM 300 C CA . ARG A 1 37 ? -21.282 2.873 36.260 1.00 13.53 ? 118 ARG A CA 1 ATOM 301 C C . ARG A 1 37 ? -21.743 3.138 34.832 1.00 14.27 ? 118 ARG A C 1 ATOM 302 O O . ARG A 1 37 ? -21.027 3.772 34.053 1.00 13.31 ? 118 ARG A O 1 ATOM 303 C CB . ARG A 1 37 ? -22.283 3.447 37.284 1.00 15.81 ? 118 ARG A CB 1 ATOM 304 C CG . ARG A 1 37 ? -22.668 2.458 38.405 1.00 16.22 ? 118 ARG A CG 1 ATOM 305 C CD . ARG A 1 37 ? -24.157 2.594 38.832 1.00 14.96 ? 118 ARG A CD 1 ATOM 306 N NE . ARG A 1 37 ? -25.063 2.087 37.804 1.00 14.80 ? 118 ARG A NE 1 ATOM 307 C CZ . ARG A 1 37 ? -26.337 2.456 37.653 1.00 17.77 ? 118 ARG A CZ 1 ATOM 308 N NH1 . ARG A 1 37 ? -26.881 3.374 38.454 1.00 17.64 ? 118 ARG A NH1 1 ATOM 309 N NH2 . ARG A 1 37 ? -27.061 1.937 36.671 1.00 16.23 ? 118 ARG A NH2 1 ATOM 310 N N . GLU A 1 38 ? -22.931 2.660 34.499 1.00 14.65 ? 119 GLU A N 1 ATOM 311 C CA . GLU A 1 38 ? -23.489 2.804 33.164 1.00 14.13 ? 119 GLU A CA 1 ATOM 312 C C . GLU A 1 38 ? -22.513 2.342 32.086 1.00 12.89 ? 119 GLU A C 1 ATOM 313 O O . GLU A 1 38 ? -22.200 3.099 31.157 1.00 12.62 ? 119 GLU A O 1 ATOM 314 C CB . GLU A 1 38 ? -23.906 4.256 32.920 1.00 14.39 ? 119 GLU A CB 1 ATOM 315 C CG . GLU A 1 38 ? -25.034 4.728 33.829 1.00 16.03 ? 119 GLU A CG 1 ATOM 316 C CD . GLU A 1 38 ? -24.544 5.232 35.173 1.00 16.57 ? 119 GLU A CD 1 ATOM 317 O OE1 . GLU A 1 38 ? -23.392 5.717 35.265 1.00 16.56 ? 119 GLU A OE1 1 ATOM 318 O OE2 . GLU A 1 38 ? -25.324 5.159 36.152 1.00 18.76 ? 119 GLU A OE2 1 ATOM 319 N N . PRO A 1 39 ? -22.014 1.105 32.207 1.00 13.80 ? 120 PRO A N 1 ATOM 320 C CA . PRO A 1 39 ? -21.067 0.597 31.212 1.00 12.41 ? 120 PRO A CA 1 ATOM 321 C C . PRO A 1 39 ? -21.805 0.184 29.960 1.00 10.41 ? 120 PRO A C 1 ATOM 322 O O . PRO A 1 39 ? -23.028 0.037 29.978 1.00 12.16 ? 120 PRO A O 1 ATOM 323 C CB . PRO A 1 39 ? -20.526 -0.664 31.877 1.00 11.81 ? 120 PRO A CB 1 ATOM 324 C CG . PRO A 1 39 ? -21.738 -1.186 32.655 1.00 12.62 ? 120 PRO A CG 1 ATOM 325 C CD . PRO A 1 39 ? -22.403 0.059 33.182 1.00 13.87 ? 120 PRO A CD 1 ATOM 326 N N . TYR A 1 40 ? -21.055 -0.033 28.883 1.00 10.59 ? 121 TYR A N 1 ATOM 327 C CA . TYR A 1 40 ? -21.606 -0.672 27.700 1.00 9.60 ? 121 TYR A CA 1 ATOM 328 C C . TYR A 1 40 ? -20.473 -1.176 26.832 1.00 10.15 ? 121 TYR A C 1 ATOM 329 O O . TYR A 1 40 ? -19.310 -1.039 27.199 1.00 11.15 ? 121 TYR A O 1 ATOM 330 C CB . TYR A 1 40 ? -22.533 0.273 26.918 1.00 10.74 ? 121 TYR A CB 1 ATOM 331 C CG . TYR A 1 40 ? -21.977 1.620 26.497 1.00 11.03 ? 121 TYR A CG 1 ATOM 332 C CD1 . TYR A 1 40 ? -21.989 2.705 27.377 1.00 9.00 ? 121 TYR A CD1 1 ATOM 333 C CD2 . TYR A 1 40 ? -21.521 1.839 25.202 1.00 10.28 ? 121 TYR A CD2 1 ATOM 334 C CE1 . TYR A 1 40 ? -21.546 3.974 26.986 1.00 11.06 ? 121 TYR A CE1 1 ATOM 335 C CE2 . TYR A 1 40 ? -21.043 3.117 24.806 1.00 8.49 ? 121 TYR A CE2 1 ATOM 336 C CZ . TYR A 1 40 ? -21.064 4.165 25.713 1.00 11.70 ? 121 TYR A CZ 1 ATOM 337 O OH . TYR A 1 40 ? -20.641 5.439 25.378 1.00 11.37 ? 121 TYR A OH 1 ATOM 338 N N . VAL A 1 41 ? -20.823 -1.764 25.691 1.00 8.99 ? 122 VAL A N 1 ATOM 339 C CA . VAL A 1 41 ? -19.815 -2.304 24.786 1.00 10.62 ? 122 VAL A CA 1 ATOM 340 C C . VAL A 1 41 ? -20.087 -1.820 23.382 1.00 11.46 ? 122 VAL A C 1 ATOM 341 O O . VAL A 1 41 ? -21.243 -1.692 22.978 1.00 11.45 ? 122 VAL A O 1 ATOM 342 C CB . VAL A 1 41 ? -19.851 -3.834 24.790 1.00 12.39 ? 122 VAL A CB 1 ATOM 343 C CG1 . VAL A 1 41 ? -18.911 -4.405 23.717 1.00 11.54 ? 122 VAL A CG1 1 ATOM 344 C CG2 . VAL A 1 41 ? -19.483 -4.349 26.162 1.00 12.07 ? 122 VAL A CG2 1 ATOM 345 N N . SER A 1 42 ? -19.031 -1.538 22.629 1.00 10.12 ? 123 SER A N 1 ATOM 346 C CA . SER A 1 42 ? -19.218 -1.212 21.225 1.00 11.03 ? 123 SER A CA 1 ATOM 347 C C . SER A 1 42 ? -17.943 -1.611 20.497 1.00 10.26 ? 123 SER A C 1 ATOM 348 O O . SER A 1 42 ? -16.864 -1.608 21.089 1.00 9.25 ? 123 SER A O 1 ATOM 349 C CB . SER A 1 42 ? -19.534 0.275 21.039 1.00 11.95 ? 123 SER A CB 1 ATOM 350 O OG . SER A 1 42 ? -19.952 0.533 19.708 1.00 11.85 ? 123 SER A OG 1 ATOM 351 N N . CYS A 1 43 ? -18.067 -1.977 19.228 1.00 10.13 ? 124 CYS A N 1 ATOM 352 C CA . CYS A 1 43 ? -16.931 -2.554 18.519 1.00 10.61 ? 124 CYS A CA 1 ATOM 353 C C . CYS A 1 43 ? -16.606 -1.772 17.262 1.00 13.33 ? 124 CYS A C 1 ATOM 354 O O . CYS A 1 43 ? -17.506 -1.213 16.634 1.00 12.65 ? 124 CYS A O 1 ATOM 355 C CB . CYS A 1 43 ? -17.245 -4.000 18.126 1.00 12.66 ? 124 CYS A CB 1 ATOM 356 S SG . CYS A 1 43 ? -17.964 -4.985 19.466 1.00 14.09 ? 124 CYS A SG 1 ATOM 357 N N . ASP A 1 44 ? -15.322 -1.737 16.896 1.00 12.32 ? 125 ASP A N 1 ATOM 358 C CA . ASP A 1 44 ? -14.926 -1.187 15.598 1.00 11.17 ? 125 ASP A CA 1 ATOM 359 C C . ASP A 1 44 ? -14.517 -2.328 14.663 1.00 15.11 ? 125 ASP A C 1 ATOM 360 O O . ASP A 1 44 ? -14.943 -3.463 14.854 1.00 18.22 ? 125 ASP A O 1 ATOM 361 C CB . ASP A 1 44 ? -13.849 -0.103 15.722 1.00 13.70 ? 125 ASP A CB 1 ATOM 362 C CG . ASP A 1 44 ? -12.649 -0.549 16.518 1.00 15.58 ? 125 ASP A CG 1 ATOM 363 O OD1 . ASP A 1 44 ? -12.208 -1.694 16.314 1.00 14.66 ? 125 ASP A OD1 1 ATOM 364 O OD2 . ASP A 1 44 ? -12.141 0.260 17.329 1.00 14.42 ? 125 ASP A OD2 1 ATOM 365 N N . ASN A 1 45 ? -13.707 -2.040 13.654 1.00 15.38 ? 126 ASN A N 1 ATOM 366 C CA . ASN A 1 45 ? -13.329 -3.085 12.707 1.00 18.57 ? 126 ASN A CA 1 ATOM 367 C C . ASN A 1 45 ? -12.399 -4.120 13.334 1.00 20.96 ? 126 ASN A C 1 ATOM 368 O O . ASN A 1 45 ? -12.350 -5.279 12.901 1.00 27.99 ? 126 ASN A O 1 ATOM 369 C CB . ASN A 1 45 ? -12.656 -2.472 11.482 1.00 19.71 ? 126 ASN A CB 1 ATOM 370 C CG . ASN A 1 45 ? -13.610 -1.654 10.639 1.00 20.78 ? 126 ASN A CG 1 ATOM 371 O OD1 . ASN A 1 45 ? -13.238 -0.608 10.097 1.00 23.55 ? 126 ASN A OD1 1 ATOM 372 N ND2 . ASN A 1 45 ? -14.844 -2.117 10.528 1.00 22.00 ? 126 ASN A ND2 1 ATOM 373 N N . ASP A 1 46 ? -11.677 -3.711 14.367 1.00 18.09 ? 127 ASP A N 1 ATOM 374 C CA . ASP A 1 46 ? -10.579 -4.534 14.875 1.00 21.75 ? 127 ASP A CA 1 ATOM 375 C C . ASP A 1 46 ? -10.732 -5.033 16.317 1.00 22.56 ? 127 ASP A C 1 ATOM 376 O O . ASP A 1 46 ? -10.065 -5.995 16.719 1.00 25.05 ? 127 ASP A O 1 ATOM 377 C CB . ASP A 1 46 ? -9.267 -3.772 14.729 1.00 25.35 ? 127 ASP A CB 1 ATOM 378 C CG . ASP A 1 46 ? -8.879 -3.561 13.279 1.00 30.27 ? 127 ASP A CG 1 ATOM 379 O OD1 . ASP A 1 46 ? -9.361 -4.319 12.411 1.00 37.03 ? 127 ASP A OD1 1 ATOM 380 O OD2 . ASP A 1 46 ? -8.093 -2.636 13.007 1.00 33.12 ? 127 ASP A OD2 1 ATOM 381 N N . ASN A 1 47 ? -11.596 -4.387 17.092 1.00 17.46 ? 128 ASN A N 1 ATOM 382 C CA . ASN A 1 47 ? -11.764 -4.737 18.500 1.00 15.77 ? 128 ASN A CA 1 ATOM 383 C C . ASN A 1 47 ? -13.139 -4.382 19.022 1.00 14.21 ? 128 ASN A C 1 ATOM 384 O O . ASN A 1 47 ? -13.760 -3.419 18.571 1.00 12.10 ? 128 ASN A O 1 ATOM 385 C CB . ASN A 1 47 ? -10.760 -3.986 19.370 1.00 14.82 ? 128 ASN A CB 1 ATOM 386 C CG . ASN A 1 47 ? -9.328 -4.397 19.108 1.00 20.02 ? 128 ASN A CG 1 ATOM 387 O OD1 . ASN A 1 47 ? -8.890 -5.484 19.506 1.00 22.61 ? 128 ASN A OD1 1 ATOM 388 N ND2 . ASN A 1 47 ? -8.586 -3.529 18.440 1.00 19.76 ? 128 ASN A ND2 1 ATOM 389 N N . CYS A 1 48 ? -13.603 -5.147 19.997 1.00 13.37 ? 129 CYS A N 1 ATOM 390 C CA . CYS A 1 48 ? -14.704 -4.691 20.824 1.00 11.49 ? 129 CYS A CA 1 ATOM 391 C C . CYS A 1 48 ? -14.108 -4.025 22.043 1.00 10.06 ? 129 CYS A C 1 ATOM 392 O O . CYS A 1 48 ? -13.026 -4.390 22.501 1.00 10.64 ? 129 CYS A O 1 ATOM 393 C CB . CYS A 1 48 ? -15.579 -5.856 21.251 1.00 11.36 ? 129 CYS A CB 1 ATOM 394 S SG . CYS A 1 48 ? -16.620 -6.474 19.903 1.00 17.07 ? 129 CYS A SG 1 ATOM 395 N N . TRP A 1 49 ? -14.820 -3.035 22.566 1.00 8.53 ? 130 TRP A N 1 ATOM 396 C CA . TRP A 1 49 ? -14.333 -2.235 23.675 1.00 7.34 ? 130 TRP A CA 1 ATOM 397 C C . TRP A 1 49 ? -15.352 -2.124 24.791 1.00 8.77 ? 130 TRP A C 1 ATOM 398 O O . TRP A 1 49 ? -16.555 -2.089 24.531 1.00 10.71 ? 130 TRP A O 1 ATOM 399 C CB . TRP A 1 49 ? -14.040 -0.818 23.194 1.00 9.93 ? 130 TRP A CB 1 ATOM 400 C CG . TRP A 1 49 ? -12.974 -0.746 22.154 1.00 9.49 ? 130 TRP A CG 1 ATOM 401 C CD1 . TRP A 1 49 ? -13.144 -0.702 20.799 1.00 10.65 ? 130 TRP A CD1 1 ATOM 402 C CD2 . TRP A 1 49 ? -11.566 -0.701 22.389 1.00 9.81 ? 130 TRP A CD2 1 ATOM 403 N NE1 . TRP A 1 49 ? -11.918 -0.625 20.172 1.00 12.89 ? 130 TRP A NE1 1 ATOM 404 C CE2 . TRP A 1 49 ? -10.932 -0.640 21.128 1.00 12.11 ? 130 TRP A CE2 1 ATOM 405 C CE3 . TRP A 1 49 ? -10.775 -0.729 23.543 1.00 9.63 ? 130 TRP A CE3 1 ATOM 406 C CZ2 . TRP A 1 49 ? -9.544 -0.582 20.995 1.00 13.88 ? 130 TRP A CZ2 1 ATOM 407 C CZ3 . TRP A 1 49 ? -9.403 -0.670 23.410 1.00 11.95 ? 130 TRP A CZ3 1 ATOM 408 C CH2 . TRP A 1 49 ? -8.799 -0.601 22.146 1.00 13.29 ? 130 TRP A CH2 1 ATOM 409 N N . SER A 1 50 ? -14.873 -2.073 26.030 1.00 7.96 ? 131 SER A N 1 ATOM 410 C CA . SER A 1 50 ? -15.727 -1.622 27.128 1.00 8.15 ? 131 SER A CA 1 ATOM 411 C C . SER A 1 50 ? -15.742 -0.101 27.227 1.00 9.29 ? 131 SER A C 1 ATOM 412 O O . SER A 1 50 ? -14.695 0.546 27.080 1.00 8.09 ? 131 SER A O 1 ATOM 413 C CB . SER A 1 50 ? -15.270 -2.218 28.458 1.00 9.08 ? 131 SER A CB 1 ATOM 414 O OG . SER A 1 50 ? -15.470 -3.621 28.458 1.00 11.66 ? 131 SER A OG 1 ATOM 415 N N . PHE A 1 51 ? -16.933 0.458 27.463 1.00 9.80 ? 132 PHE A N 1 ATOM 416 C CA . PHE A 1 51 ? -17.096 1.884 27.771 1.00 10.09 ? 132 PHE A CA 1 ATOM 417 C C . PHE A 1 51 ? -17.821 2.005 29.099 1.00 10.15 ? 132 PHE A C 1 ATOM 418 O O . PHE A 1 51 ? -18.599 1.124 29.468 1.00 12.18 ? 132 PHE A O 1 ATOM 419 C CB . PHE A 1 51 ? -17.918 2.586 26.698 1.00 10.09 ? 132 PHE A CB 1 ATOM 420 C CG . PHE A 1 51 ? -17.222 2.687 25.378 1.00 8.33 ? 132 PHE A CG 1 ATOM 421 C CD1 . PHE A 1 51 ? -17.344 1.675 24.437 1.00 9.16 ? 132 PHE A CD1 1 ATOM 422 C CD2 . PHE A 1 51 ? -16.482 3.822 25.062 1.00 10.01 ? 132 PHE A CD2 1 ATOM 423 C CE1 . PHE A 1 51 ? -16.705 1.773 23.212 1.00 10.73 ? 132 PHE A CE1 1 ATOM 424 C CE2 . PHE A 1 51 ? -15.840 3.933 23.839 1.00 8.78 ? 132 PHE A CE2 1 ATOM 425 C CZ . PHE A 1 51 ? -15.959 2.907 22.908 1.00 9.73 ? 132 PHE A CZ 1 ATOM 426 N N . ALA A 1 52 ? -17.572 3.079 29.828 1.00 9.01 ? 133 ALA A N 1 ATOM 427 C CA . ALA A 1 52 ? -18.330 3.312 31.050 1.00 9.69 ? 133 ALA A CA 1 ATOM 428 C C . ALA A 1 52 ? -18.168 4.753 31.475 1.00 11.25 ? 133 ALA A C 1 ATOM 429 O O . ALA A 1 52 ? -17.232 5.448 31.051 1.00 11.34 ? 133 ALA A O 1 ATOM 430 C CB . ALA A 1 52 ? -17.855 2.380 32.157 1.00 10.11 ? 133 ALA A CB 1 ATOM 431 N N . LEU A 1 53 ? -19.090 5.216 32.308 1.00 10.02 ? 134 LEU A N 1 ATOM 432 C CA . LEU A 1 53 ? -18.973 6.543 32.886 1.00 10.46 ? 134 LEU A CA 1 ATOM 433 C C . LEU A 1 53 ? -18.175 6.413 34.168 1.00 12.02 ? 134 LEU A C 1 ATOM 434 O O . LEU A 1 53 ? -18.646 5.835 35.146 1.00 14.40 ? 134 LEU A O 1 ATOM 435 C CB . LEU A 1 53 ? -20.368 7.121 33.165 1.00 11.77 ? 134 LEU A CB 1 ATOM 436 C CG . LEU A 1 53 ? -21.237 7.319 31.924 1.00 13.86 ? 134 LEU A CG 1 ATOM 437 C CD1 . LEU A 1 53 ? -22.598 7.849 32.332 1.00 13.78 ? 134 LEU A CD1 1 ATOM 438 C CD2 . LEU A 1 53 ? -20.576 8.288 30.935 1.00 11.12 ? 134 LEU A CD2 1 ATOM 439 N N . ALA A 1 54 ? -16.937 6.892 34.138 1.00 11.74 ? 135 ALA A N 1 ATOM 440 C CA . ALA A 1 54 ? -16.067 6.851 35.305 1.00 12.47 ? 135 ALA A CA 1 ATOM 441 C C . ALA A 1 54 ? -16.536 7.911 36.298 1.00 14.49 ? 135 ALA A C 1 ATOM 442 O O . ALA A 1 54 ? -17.344 8.778 35.956 1.00 13.71 ? 135 ALA A O 1 ATOM 443 C CB . ALA A 1 54 ? -14.612 7.082 34.890 1.00 11.88 ? 135 ALA A CB 1 ATOM 444 N N . GLN A 1 55 ? -16.034 7.838 37.525 1.00 12.45 ? 136 GLN A N 1 ATOM 445 C CA . GLN A 1 55 ? -16.411 8.806 38.551 1.00 13.82 ? 136 GLN A CA 1 ATOM 446 C C . GLN A 1 55 ? -15.217 9.629 39.028 1.00 15.27 ? 136 GLN A C 1 ATOM 447 O O . GLN A 1 55 ? -15.277 10.300 40.059 1.00 15.63 ? 136 GLN A O 1 ATOM 448 C CB . GLN A 1 55 ? -17.051 8.079 39.733 1.00 14.76 ? 136 GLN A CB 1 ATOM 449 C CG . GLN A 1 55 ? -18.408 7.478 39.417 1.00 14.84 ? 136 GLN A CG 1 ATOM 450 C CD . GLN A 1 55 ? -19.562 8.406 39.765 1.00 16.42 ? 136 GLN A CD 1 ATOM 451 O OE1 . GLN A 1 55 ? -19.423 9.631 39.791 1.00 15.66 ? 136 GLN A OE1 1 ATOM 452 N NE2 . GLN A 1 55 ? -20.718 7.817 40.024 1.00 19.91 ? 136 GLN A NE2 1 ATOM 453 N N . GLY A 1 56 ? -14.121 9.591 38.275 1.00 14.64 ? 137 GLY A N 1 ATOM 454 C CA . GLY A 1 56 ? -12.966 10.393 38.632 1.00 14.38 ? 137 GLY A CA 1 ATOM 455 C C . GLY A 1 56 ? -12.342 10.019 39.967 1.00 14.51 ? 137 GLY A C 1 ATOM 456 O O . GLY A 1 56 ? -11.795 10.873 40.677 1.00 16.03 ? 137 GLY A O 1 ATOM 457 N N . ALA A 1 57 ? -12.419 8.742 40.309 1.00 13.54 ? 138 ALA A N 1 ATOM 458 C CA . ALA A 1 57 ? -11.873 8.245 41.564 1.00 16.29 ? 138 ALA A CA 1 ATOM 459 C C . ALA A 1 57 ? -11.533 6.765 41.444 1.00 14.46 ? 138 ALA A C 1 ATOM 460 O O . ALA A 1 57 ? -12.122 6.050 40.632 1.00 15.99 ? 138 ALA A O 1 ATOM 461 C CB . ALA A 1 57 ? -12.884 8.464 42.704 1.00 17.25 ? 138 ALA A CB 1 ATOM 462 N N . LEU A 1 58 ? -10.591 6.313 42.262 1.00 13.26 ? 139 LEU A N 1 ATOM 463 C CA . LEU A 1 58 ? -10.252 4.894 42.327 1.00 13.93 ? 139 LEU A CA 1 ATOM 464 C C . LEU A 1 58 ? -11.113 4.193 43.374 1.00 18.53 ? 139 LEU A C 1 ATOM 465 O O . LEU A 1 58 ? -11.333 4.729 44.463 1.00 20.08 ? 139 LEU A O 1 ATOM 466 C CB . LEU A 1 58 ? -8.772 4.702 42.660 1.00 16.77 ? 139 LEU A CB 1 ATOM 467 C CG . LEU A 1 58 ? -7.783 5.166 41.595 1.00 14.24 ? 139 LEU A CG 1 ATOM 468 C CD1 . LEU A 1 58 ? -6.355 4.895 42.047 1.00 19.00 ? 139 LEU A CD1 1 ATOM 469 C CD2 . LEU A 1 58 ? -8.066 4.455 40.269 1.00 15.07 ? 139 LEU A CD2 1 ATOM 470 N N . LEU A 1 59 ? -11.574 2.993 43.040 1.00 16.76 ? 140 LEU A N 1 ATOM 471 C CA . LEU A 1 59 ? -12.434 2.200 43.916 1.00 17.85 ? 140 LEU A CA 1 ATOM 472 C C . LEU A 1 59 ? -11.739 1.960 45.254 1.00 20.89 ? 140 LEU A C 1 ATOM 473 O O . LEU A 1 59 ? -10.602 1.499 45.301 1.00 20.19 ? 140 LEU A O 1 ATOM 474 C CB . LEU A 1 59 ? -12.771 0.874 43.229 1.00 18.93 ? 140 LEU A CB 1 ATOM 475 C CG . LEU A 1 59 ? -13.803 -0.118 43.779 1.00 23.70 ? 140 LEU A CG 1 ATOM 476 C CD1 . LEU A 1 59 ? -13.342 -0.746 45.087 1.00 21.59 ? 140 LEU A CD1 1 ATOM 477 C CD2 . LEU A 1 59 ? -15.162 0.518 43.918 1.00 24.47 ? 140 LEU A CD2 1 ATOM 478 N N . GLY A 1 60 ? -12.421 2.306 46.345 1.00 23.53 ? 141 GLY A N 1 ATOM 479 C CA . GLY A 1 60 ? -11.902 2.064 47.679 1.00 22.97 ? 141 GLY A CA 1 ATOM 480 C C . GLY A 1 60 ? -11.081 3.190 48.277 1.00 24.97 ? 141 GLY A C 1 ATOM 481 O O . GLY A 1 60 ? -10.606 3.072 49.408 1.00 26.16 ? 141 GLY A O 1 ATOM 482 N N . THR A 1 61 ? -10.892 4.272 47.520 1.00 23.44 ? 142 THR A N 1 ATOM 483 C CA . THR A 1 61 ? -10.229 5.466 48.042 1.00 22.18 ? 142 THR A CA 1 ATOM 484 C C . THR A 1 61 ? -11.281 6.388 48.636 1.00 23.53 ? 142 THR A C 1 ATOM 485 O O . THR A 1 61 ? -12.478 6.179 48.436 1.00 22.90 ? 142 THR A O 1 ATOM 486 C CB . THR A 1 61 ? -9.433 6.239 46.954 1.00 18.10 ? 142 THR A CB 1 ATOM 487 O OG1 . THR A 1 61 ? -10.322 6.683 45.919 1.00 22.09 ? 142 THR A OG1 1 ATOM 488 C CG2 . THR A 1 61 ? -8.345 5.361 46.351 1.00 20.30 ? 142 THR A CG2 1 ATOM 489 N N . LYS A 1 62 ? -10.841 7.412 49.358 1.00 23.56 ? 143 LYS A N 1 ATOM 490 C CA . LYS A 1 62 ? -11.784 8.334 49.994 1.00 23.50 ? 143 LYS A CA 1 ATOM 491 C C . LYS A 1 62 ? -12.660 9.057 48.972 1.00 26.05 ? 143 LYS A C 1 ATOM 492 O O . LYS A 1 62 ? -13.830 9.354 49.238 1.00 23.50 ? 143 LYS A O 1 ATOM 493 C CB . LYS A 1 62 ? -11.050 9.338 50.885 1.00 28.85 ? 143 LYS A CB 1 ATOM 494 C CG . LYS A 1 62 ? -10.336 8.706 52.070 1.00 28.38 ? 143 LYS A CG 1 ATOM 495 C CD . LYS A 1 62 ? -9.543 9.744 52.844 1.00 33.78 ? 143 LYS A CD 1 ATOM 496 C CE . LYS A 1 62 ? -8.925 9.162 54.105 1.00 38.16 ? 143 LYS A CE 1 ATOM 497 N NZ . LYS A 1 62 ? -7.909 8.124 53.804 1.00 39.93 ? 143 LYS A NZ 1 ATOM 498 N N . HIS A 1 63 ? -12.102 9.341 47.799 1.00 20.88 ? 144 HIS A N 1 ATOM 499 C CA . HIS A 1 63 ? -12.871 10.005 46.750 1.00 20.01 ? 144 HIS A CA 1 ATOM 500 C C . HIS A 1 63 ? -13.970 9.120 46.155 1.00 20.33 ? 144 HIS A C 1 ATOM 501 O O . HIS A 1 63 ? -14.839 9.619 45.452 1.00 20.82 ? 144 HIS A O 1 ATOM 502 C CB . HIS A 1 63 ? -11.956 10.527 45.640 1.00 19.49 ? 144 HIS A CB 1 ATOM 503 C CG . HIS A 1 63 ? -11.235 11.794 45.997 1.00 19.72 ? 144 HIS A CG 1 ATOM 504 N ND1 . HIS A 1 63 ? -9.951 11.801 46.488 1.00 20.20 ? 144 HIS A ND1 1 ATOM 505 C CD2 . HIS A 1 63 ? -11.629 13.087 45.939 1.00 20.16 ? 144 HIS A CD2 1 ATOM 506 C CE1 . HIS A 1 63 ? -9.578 13.052 46.719 1.00 20.72 ? 144 HIS A CE1 1 ATOM 507 N NE2 . HIS A 1 63 ? -10.578 13.850 46.387 1.00 19.99 ? 144 HIS A NE2 1 ATOM 508 N N . SER A 1 64 ? -13.937 7.816 46.430 1.00 19.42 ? 145 SER A N 1 ATOM 509 C CA . SER A 1 64 ? -14.980 6.926 45.907 1.00 20.83 ? 145 SER A CA 1 ATOM 510 C C . SER A 1 64 ? -16.227 6.949 46.794 1.00 20.66 ? 145 SER A C 1 ATOM 511 O O . SER A 1 64 ? -17.313 6.537 46.371 1.00 21.53 ? 145 SER A O 1 ATOM 512 C CB . SER A 1 64 ? -14.472 5.494 45.738 1.00 19.83 ? 145 SER A CB 1 ATOM 513 O OG . SER A 1 64 ? -14.220 4.872 46.985 1.00 22.41 ? 145 SER A OG 1 ATOM 514 N N . ASN A 1 65 ? -16.061 7.456 48.014 1.00 22.10 ? 146 ASN A N 1 ATOM 515 C CA . ASN A 1 65 ? -17.167 7.598 48.963 1.00 22.82 ? 146 ASN A CA 1 ATOM 516 C C . ASN A 1 65 ? -18.256 8.499 48.388 1.00 21.36 ? 146 ASN A C 1 ATOM 517 O O . ASN A 1 65 ? -18.009 9.661 48.084 1.00 21.39 ? 146 ASN A O 1 ATOM 518 C CB . ASN A 1 65 ? -16.635 8.176 50.281 1.00 24.83 ? 146 ASN A CB 1 ATOM 519 C CG . ASN A 1 65 ? -17.669 8.175 51.403 1.00 29.40 ? 146 ASN A CG 1 ATOM 520 O OD1 . ASN A 1 65 ? -18.866 8.341 51.168 1.00 25.34 ? 146 ASN A OD1 1 ATOM 521 N ND2 . ASN A 1 65 ? -17.190 7.996 52.640 1.00 33.07 ? 146 ASN A ND2 1 ATOM 522 N N . GLY A 1 66 ? -19.457 7.955 48.218 1.00 25.17 ? 147 GLY A N 1 ATOM 523 C CA . GLY A 1 66 ? -20.583 8.751 47.766 1.00 23.88 ? 147 GLY A CA 1 ATOM 524 C C . GLY A 1 66 ? -20.813 8.748 46.266 1.00 23.24 ? 147 GLY A C 1 ATOM 525 O O . GLY A 1 66 ? -21.603 9.548 45.737 1.00 20.94 ? 147 GLY A O 1 ATOM 526 N N . THR A 1 67 ? -20.130 7.841 45.570 1.00 23.26 ? 148 THR A N 1 ATOM 527 C CA . THR A 1 67 ? -20.269 7.755 44.123 1.00 21.20 ? 148 THR A CA 1 ATOM 528 C C . THR A 1 67 ? -21.594 7.157 43.649 1.00 23.34 ? 148 THR A C 1 ATOM 529 O O . THR A 1 67 ? -21.772 6.926 42.456 1.00 20.38 ? 148 THR A O 1 ATOM 530 C CB . THR A 1 67 ? -19.088 6.995 43.478 1.00 19.10 ? 148 THR A CB 1 ATOM 531 O OG1 . THR A 1 67 ? -18.777 5.849 44.275 1.00 19.50 ? 148 THR A OG1 1 ATOM 532 C CG2 . THR A 1 67 ? -17.862 7.899 43.391 1.00 18.46 ? 148 THR A CG2 1 ATOM 533 N N . ILE A 1 68 ? -22.536 6.923 44.564 1.00 20.28 ? 149 ILE A N 1 ATOM 534 C CA . ILE A 1 68 ? -23.904 6.640 44.141 1.00 23.46 ? 149 ILE A CA 1 ATOM 535 C C . ILE A 1 68 ? -24.458 7.810 43.315 1.00 18.55 ? 149 ILE A C 1 ATOM 536 O O . ILE A 1 68 ? -25.333 7.621 42.469 1.00 22.04 ? 149 ILE A O 1 ATOM 537 C CB . ILE A 1 68 ? -24.848 6.370 45.337 1.00 26.38 ? 149 ILE A CB 1 ATOM 538 C CG1 . ILE A 1 68 ? -26.207 5.879 44.832 1.00 28.60 ? 149 ILE A CG1 1 ATOM 539 C CG2 . ILE A 1 68 ? -25.018 7.629 46.179 1.00 28.20 ? 149 ILE A CG2 1 ATOM 540 C CD1 . ILE A 1 68 ? -27.192 5.509 45.936 1.00 31.40 ? 149 ILE A CD1 1 ATOM 541 N N . LYS A 1 69 ? -23.936 9.014 43.559 1.00 21.44 ? 150 LYS A N 1 ATOM 542 C CA . LYS A 1 69 ? -24.392 10.237 42.878 1.00 21.65 ? 150 LYS A CA 1 ATOM 543 C C . LYS A 1 69 ? -24.263 10.152 41.354 1.00 21.06 ? 150 LYS A C 1 ATOM 544 O O . LYS A 1 69 ? -23.203 9.781 40.833 1.00 20.65 ? 150 LYS A O 1 ATOM 545 C CB . LYS A 1 69 ? -23.634 11.456 43.411 1.00 24.23 ? 150 LYS A CB 1 ATOM 546 C CG . LYS A 1 69 ? -24.086 12.781 42.827 1.00 23.60 ? 150 LYS A CG 1 ATOM 547 C CD . LYS A 1 69 ? -23.582 13.944 43.687 1.00 29.54 ? 150 LYS A CD 1 ATOM 548 C CE . LYS A 1 69 ? -23.771 15.301 43.000 1.00 34.28 ? 150 LYS A CE 1 ATOM 549 N NZ . LYS A 1 69 ? -25.171 15.551 42.560 1.00 33.38 ? 150 LYS A NZ 1 ATOM 550 N N . ASP A 1 70 ? -25.342 10.494 40.651 1.00 21.45 ? 151 ASP A N 1 ATOM 551 C CA . ASP A 1 70 ? -25.446 10.266 39.207 1.00 17.73 ? 151 ASP A CA 1 ATOM 552 C C . ASP A 1 70 ? -24.634 11.216 38.325 1.00 18.50 ? 151 ASP A C 1 ATOM 553 O O . ASP A 1 70 ? -24.041 10.793 37.326 1.00 18.12 ? 151 ASP A O 1 ATOM 554 C CB . ASP A 1 70 ? -26.905 10.328 38.770 1.00 21.67 ? 151 ASP A CB 1 ATOM 555 C CG . ASP A 1 70 ? -27.636 9.029 39.000 1.00 22.73 ? 151 ASP A CG 1 ATOM 556 O OD1 . ASP A 1 70 ? -27.117 7.968 38.595 1.00 19.65 ? 151 ASP A OD1 1 ATOM 557 O OD2 . ASP A 1 70 ? -28.742 9.074 39.577 1.00 23.02 ? 151 ASP A OD2 1 ATOM 558 N N . ARG A 1 71 ? -24.629 12.497 38.669 1.00 17.49 ? 152 ARG A N 1 ATOM 559 C CA . ARG A 1 71 ? -24.017 13.497 37.807 1.00 16.74 ? 152 ARG A CA 1 ATOM 560 C C . ARG A 1 71 ? -23.064 14.400 38.581 1.00 20.40 ? 152 ARG A C 1 ATOM 561 O O . ARG A 1 71 ? -23.445 15.010 39.576 1.00 19.42 ? 152 ARG A O 1 ATOM 562 C CB . ARG A 1 71 ? -25.108 14.316 37.109 1.00 17.70 ? 152 ARG A CB 1 ATOM 563 C CG . ARG A 1 71 ? -26.119 13.443 36.366 1.00 17.80 ? 152 ARG A CG 1 ATOM 564 C CD . ARG A 1 71 ? -27.288 14.239 35.821 1.00 19.86 ? 152 ARG A CD 1 ATOM 565 N NE . ARG A 1 71 ? -28.064 14.876 36.886 1.00 20.64 ? 152 ARG A NE 1 ATOM 566 C CZ . ARG A 1 71 ? -28.940 14.232 37.658 1.00 26.08 ? 152 ARG A CZ 1 ATOM 567 N NH1 . ARG A 1 71 ? -29.605 14.898 38.602 1.00 22.37 ? 152 ARG A NH1 1 ATOM 568 N NH2 . ARG A 1 71 ? -29.155 12.923 37.489 1.00 19.89 ? 152 ARG A NH2 1 ATOM 569 N N . THR A 1 72 ? -21.809 14.445 38.131 1.00 17.81 ? 153 THR A N 1 ATOM 570 C CA . THR A 1 72 ? -20.794 15.337 38.685 1.00 18.91 ? 153 THR A CA 1 ATOM 571 C C . THR A 1 72 ? -19.909 15.793 37.533 1.00 18.07 ? 153 THR A C 1 ATOM 572 O O . THR A 1 72 ? -19.918 15.185 36.463 1.00 15.89 ? 153 THR A O 1 ATOM 573 C CB . THR A 1 72 ? -19.888 14.640 39.710 1.00 19.16 ? 153 THR A CB 1 ATOM 574 O OG1 . THR A 1 72 ? -18.867 13.893 39.026 1.00 14.81 ? 153 THR A OG1 1 ATOM 575 C CG2 . THR A 1 72 ? -20.686 13.701 40.594 1.00 18.36 ? 153 THR A CG2 1 ATOM 576 N N . PRO A 1 73 ? -19.144 16.861 37.744 1.00 16.84 ? 154 PRO A N 1 ATOM 577 C CA . PRO A 1 73 ? -18.227 17.325 36.694 1.00 15.63 ? 154 PRO A CA 1 ATOM 578 C C . PRO A 1 73 ? -17.029 16.383 36.514 1.00 15.80 ? 154 PRO A C 1 ATOM 579 O O . PRO A 1 73 ? -16.262 16.552 35.560 1.00 14.21 ? 154 PRO A O 1 ATOM 580 C CB . PRO A 1 73 ? -17.744 18.689 37.222 1.00 18.58 ? 154 PRO A CB 1 ATOM 581 C CG . PRO A 1 73 ? -18.748 19.084 38.291 1.00 21.18 ? 154 PRO A CG 1 ATOM 582 C CD . PRO A 1 73 ? -19.197 17.782 38.894 1.00 18.62 ? 154 PRO A CD 1 ATOM 583 N N . TYR A 1 74 ? -16.880 15.415 37.420 1.00 15.78 ? 155 TYR A N 1 ATOM 584 C CA . TYR A 1 74 ? -15.699 14.554 37.486 1.00 13.88 ? 155 TYR A CA 1 ATOM 585 C C . TYR A 1 74 ? -15.972 13.221 36.824 1.00 12.56 ? 155 TYR A C 1 ATOM 586 O O . TYR A 1 74 ? -15.159 12.308 36.923 1.00 14.24 ? 155 TYR A O 1 ATOM 587 C CB . TYR A 1 74 ? -15.286 14.346 38.947 1.00 16.42 ? 155 TYR A CB 1 ATOM 588 C CG . TYR A 1 74 ? -15.419 15.634 39.738 1.00 18.18 ? 155 TYR A CG 1 ATOM 589 C CD1 . TYR A 1 74 ? -14.700 16.765 39.380 1.00 17.25 ? 155 TYR A CD1 1 ATOM 590 C CD2 . TYR A 1 74 ? -16.307 15.731 40.806 1.00 21.10 ? 155 TYR A CD2 1 ATOM 591 C CE1 . TYR A 1 74 ? -14.847 17.954 40.074 1.00 20.51 ? 155 TYR A CE1 1 ATOM 592 C CE2 . TYR A 1 74 ? -16.452 16.914 41.508 1.00 21.69 ? 155 TYR A CE2 1 ATOM 593 C CZ . TYR A 1 74 ? -15.723 18.016 41.137 1.00 22.48 ? 155 TYR A CZ 1 ATOM 594 O OH . TYR A 1 74 ? -15.861 19.197 41.831 1.00 26.24 ? 155 TYR A OH 1 ATOM 595 N N . ARG A 1 75 ? -17.121 13.114 36.162 1.00 13.71 ? 156 ARG A N 1 ATOM 596 C CA . ARG A 1 75 ? -17.439 11.914 35.403 1.00 13.11 ? 156 ARG A CA 1 ATOM 597 C C . ARG A 1 75 ? -17.017 12.087 33.949 1.00 13.80 ? 156 ARG A C 1 ATOM 598 O O . ARG A 1 75 ? -17.286 13.118 33.333 1.00 11.83 ? 156 ARG A O 1 ATOM 599 C CB . ARG A 1 75 ? -18.931 11.570 35.495 1.00 16.02 ? 156 ARG A CB 1 ATOM 600 C CG . ARG A 1 75 ? -19.384 11.312 36.920 1.00 14.91 ? 156 ARG A CG 1 ATOM 601 C CD . ARG A 1 75 ? -20.652 10.476 36.950 1.00 12.81 ? 156 ARG A CD 1 ATOM 602 N NE . ARG A 1 75 ? -20.363 9.064 36.687 1.00 14.34 ? 156 ARG A NE 1 ATOM 603 C CZ . ARG A 1 75 ? -21.273 8.098 36.739 1.00 14.66 ? 156 ARG A CZ 1 ATOM 604 N NH1 . ARG A 1 75 ? -22.531 8.400 37.039 1.00 15.33 ? 156 ARG A NH1 1 ATOM 605 N NH2 . ARG A 1 75 ? -20.930 6.831 36.495 1.00 15.05 ? 156 ARG A NH2 1 ATOM 606 N N . SER A 1 76 ? -16.327 11.069 33.430 1.00 12.91 ? 157 SER A N 1 ATOM 607 C CA . SER A 1 76 ? -15.906 11.011 32.036 1.00 12.56 ? 157 SER A CA 1 ATOM 608 C C . SER A 1 76 ? -16.312 9.688 31.420 1.00 9.77 ? 157 SER A C 1 ATOM 609 O O . SER A 1 76 ? -16.282 8.650 32.079 1.00 13.89 ? 157 SER A O 1 ATOM 610 C CB . SER A 1 76 ? -14.381 11.097 31.914 1.00 10.54 ? 157 SER A CB 1 ATOM 611 O OG . SER A 1 76 ? -13.916 12.387 32.227 1.00 13.44 ? 157 SER A OG 1 ATOM 612 N N . LEU A 1 77 ? -16.677 9.721 30.148 1.00 9.34 ? 158 LEU A N 1 ATOM 613 C CA . LEU A 1 77 ? -16.773 8.491 29.396 1.00 8.37 ? 158 LEU A CA 1 ATOM 614 C C . LEU A 1 77 ? -15.354 7.964 29.204 1.00 10.22 ? 158 LEU A C 1 ATOM 615 O O . LEU A 1 77 ? -14.497 8.673 28.671 1.00 10.07 ? 158 LEU A O 1 ATOM 616 C CB . LEU A 1 77 ? -17.458 8.745 28.057 1.00 10.21 ? 158 LEU A CB 1 ATOM 617 C CG . LEU A 1 77 ? -17.453 7.562 27.088 1.00 10.01 ? 158 LEU A CG 1 ATOM 618 C CD1 . LEU A 1 77 ? -18.204 6.365 27.694 1.00 8.88 ? 158 LEU A CD1 1 ATOM 619 C CD2 . LEU A 1 77 ? -18.060 7.967 25.745 1.00 11.54 ? 158 LEU A CD2 1 ATOM 620 N N . ILE A 1 78 ? -15.116 6.730 29.645 1.00 9.75 ? 159 ILE A N 1 ATOM 621 C CA . ILE A 1 78 ? -13.811 6.086 29.443 1.00 10.56 ? 159 ILE A CA 1 ATOM 622 C C . ILE A 1 78 ? -13.976 4.814 28.617 1.00 9.70 ? 159 ILE A C 1 ATOM 623 O O . ILE A 1 78 ? -15.059 4.228 28.559 1.00 10.00 ? 159 ILE A O 1 ATOM 624 C CB . ILE A 1 78 ? -13.078 5.764 30.775 1.00 9.73 ? 159 ILE A CB 1 ATOM 625 C CG1 . ILE A 1 78 ? -13.823 4.690 31.581 1.00 13.37 ? 159 ILE A CG1 1 ATOM 626 C CG2 . ILE A 1 78 ? -12.866 7.041 31.594 1.00 9.18 ? 159 ILE A CG2 1 ATOM 627 C CD1 . ILE A 1 78 ? -12.985 4.127 32.733 1.00 12.21 ? 159 ILE A CD1 1 ATOM 628 N N . ARG A 1 79 ? -12.889 4.413 27.962 1.00 7.85 ? 160 ARG A N 1 ATOM 629 C CA . ARG A 1 79 ? -12.854 3.196 27.160 1.00 8.80 ? 160 ARG A CA 1 ATOM 630 C C . ARG A 1 79 ? -11.704 2.312 27.646 1.00 8.63 ? 160 ARG A C 1 ATOM 631 O O . ARG A 1 79 ? -10.616 2.805 27.985 1.00 7.06 ? 160 ARG A O 1 ATOM 632 C CB . ARG A 1 79 ? -12.654 3.545 25.678 1.00 7.70 ? 160 ARG A CB 1 ATOM 633 C CG . ARG A 1 79 ? -12.848 2.381 24.731 1.00 11.56 ? 160 ARG A CG 1 ATOM 634 C CD . ARG A 1 79 ? -12.395 2.709 23.312 1.00 9.82 ? 160 ARG A CD 1 ATOM 635 N NE . ARG A 1 79 ? -10.941 2.694 23.208 1.00 11.27 ? 160 ARG A NE 1 ATOM 636 C CZ . ARG A 1 79 ? -10.260 3.040 22.120 1.00 17.73 ? 160 ARG A CZ 1 ATOM 637 N NH1 . ARG A 1 79 ? -10.907 3.456 21.038 1.00 15.69 ? 160 ARG A NH1 1 ATOM 638 N NH2 . ARG A 1 79 ? -8.925 2.977 22.122 1.00 17.51 ? 160 ARG A NH2 1 ATOM 639 N N . PHE A 1 80 ? -11.925 1.002 27.684 1.00 7.18 ? 161 PHE A N 1 ATOM 640 C CA . PHE A 1 80 ? -10.858 0.111 28.119 1.00 9.11 ? 161 PHE A CA 1 ATOM 641 C C . PHE A 1 80 ? -11.043 -1.219 27.407 1.00 8.69 ? 161 PHE A C 1 ATOM 642 O O . PHE A 1 80 ? -12.111 -1.477 26.872 1.00 8.03 ? 161 PHE A O 1 ATOM 643 C CB . PHE A 1 80 ? -10.809 -0.009 29.660 1.00 8.38 ? 161 PHE A CB 1 ATOM 644 C CG . PHE A 1 80 ? -12.170 -0.141 30.323 1.00 9.76 ? 161 PHE A CG 1 ATOM 645 C CD1 . PHE A 1 80 ? -12.570 -1.354 30.873 1.00 10.62 ? 161 PHE A CD1 1 ATOM 646 C CD2 . PHE A 1 80 ? -13.024 0.961 30.435 1.00 10.25 ? 161 PHE A CD2 1 ATOM 647 C CE1 . PHE A 1 80 ? -13.790 -1.492 31.504 1.00 12.12 ? 161 PHE A CE1 1 ATOM 648 C CE2 . PHE A 1 80 ? -14.272 0.838 31.066 1.00 11.62 ? 161 PHE A CE2 1 ATOM 649 C CZ . PHE A 1 80 ? -14.659 -0.400 31.601 1.00 11.62 ? 161 PHE A CZ 1 ATOM 650 N N . PRO A 1 81 ? -9.989 -2.046 27.337 1.00 7.61 ? 162 PRO A N 1 ATOM 651 C CA . PRO A 1 81 ? -10.153 -3.290 26.562 1.00 6.36 ? 162 PRO A CA 1 ATOM 652 C C . PRO A 1 81 ? -11.293 -4.161 27.074 1.00 9.12 ? 162 PRO A C 1 ATOM 653 O O . PRO A 1 81 ? -11.501 -4.270 28.286 1.00 10.14 ? 162 PRO A O 1 ATOM 654 C CB . PRO A 1 81 ? -8.815 -4.000 26.761 1.00 9.40 ? 162 PRO A CB 1 ATOM 655 C CG . PRO A 1 81 ? -7.844 -2.863 27.002 1.00 10.46 ? 162 PRO A CG 1 ATOM 656 C CD . PRO A 1 81 ? -8.616 -1.869 27.830 1.00 10.63 ? 162 PRO A CD 1 ATOM 657 N N . ILE A 1 82 ? -12.030 -4.779 26.161 1.00 9.95 ? 163 ILE A N 1 ATOM 658 C CA . ILE A 1 82 ? -13.221 -5.513 26.570 1.00 10.25 ? 163 ILE A CA 1 ATOM 659 C C . ILE A 1 82 ? -12.846 -6.631 27.527 1.00 9.77 ? 163 ILE A C 1 ATOM 660 O O . ILE A 1 82 ? -11.894 -7.360 27.297 1.00 11.39 ? 163 ILE A O 1 ATOM 661 C CB . ILE A 1 82 ? -14.000 -6.083 25.369 1.00 11.72 ? 163 ILE A CB 1 ATOM 662 C CG1 . ILE A 1 82 ? -15.305 -6.721 25.839 1.00 14.62 ? 163 ILE A CG1 1 ATOM 663 C CG2 . ILE A 1 82 ? -13.135 -7.080 24.596 1.00 12.75 ? 163 ILE A CG2 1 ATOM 664 C CD1 . ILE A 1 82 ? -16.356 -6.814 24.758 1.00 18.11 ? 163 ILE A CD1 1 ATOM 665 N N . GLY A 1 83 ? -13.578 -6.734 28.626 1.00 9.27 ? 164 GLY A N 1 ATOM 666 C CA . GLY A 1 83 ? -13.342 -7.795 29.589 1.00 10.42 ? 164 GLY A CA 1 ATOM 667 C C . GLY A 1 83 ? -12.195 -7.510 30.545 1.00 11.36 ? 164 GLY A C 1 ATOM 668 O O . GLY A 1 83 ? -11.881 -8.352 31.401 1.00 11.59 ? 164 GLY A O 1 ATOM 669 N N . THR A 1 84 ? -11.545 -6.354 30.405 1.00 9.11 ? 165 THR A N 1 ATOM 670 C CA . THR A 1 84 ? -10.539 -5.960 31.395 1.00 8.95 ? 165 THR A CA 1 ATOM 671 C C . THR A 1 84 ? -11.130 -4.986 32.416 1.00 10.19 ? 165 THR A C 1 ATOM 672 O O . THR A 1 84 ? -12.102 -4.276 32.131 1.00 10.86 ? 165 THR A O 1 ATOM 673 C CB . THR A 1 84 ? -9.259 -5.316 30.771 1.00 8.70 ? 165 THR A CB 1 ATOM 674 O OG1 . THR A 1 84 ? -9.569 -4.030 30.206 1.00 10.08 ? 165 THR A OG1 1 ATOM 675 C CG2 . THR A 1 84 ? -8.638 -6.236 29.716 1.00 8.70 ? 165 THR A CG2 1 ATOM 676 N N . ALA A 1 85 ? -10.545 -4.954 33.610 1.00 10.26 ? 166 ALA A N 1 ATOM 677 C CA . ALA A 1 85 ? -10.942 -3.960 34.603 1.00 8.55 ? 166 ALA A CA 1 ATOM 678 C C . ALA A 1 85 ? -10.360 -2.626 34.152 1.00 9.39 ? 166 ALA A C 1 ATOM 679 O O . ALA A 1 85 ? -9.251 -2.585 33.608 1.00 9.74 ? 166 ALA A O 1 ATOM 680 C CB . ALA A 1 85 ? -10.399 -4.341 35.982 1.00 13.57 ? 166 ALA A CB 1 ATOM 681 N N . PRO A 1 86 ? -11.105 -1.541 34.364 1.00 9.65 ? 167 PRO A N 1 ATOM 682 C CA . PRO A 1 86 ? -10.590 -0.218 33.981 1.00 9.99 ? 167 PRO A CA 1 ATOM 683 C C . PRO A 1 86 ? -9.552 0.284 34.981 1.00 10.79 ? 167 PRO A C 1 ATOM 684 O O . PRO A 1 86 ? -9.869 0.531 36.144 1.00 12.78 ? 167 PRO A O 1 ATOM 685 C CB . PRO A 1 86 ? -11.831 0.677 34.032 1.00 9.99 ? 167 PRO A CB 1 ATOM 686 C CG . PRO A 1 86 ? -12.821 -0.033 34.940 1.00 12.59 ? 167 PRO A CG 1 ATOM 687 C CD . PRO A 1 86 ? -12.421 -1.488 35.029 1.00 11.72 ? 167 PRO A CD 1 ATOM 688 N N . VAL A 1 87 ? -8.314 0.446 34.533 1.00 9.92 ? 168 VAL A N 1 ATOM 689 C CA . VAL A 1 87 ? -7.277 0.954 35.423 1.00 11.56 ? 168 VAL A CA 1 ATOM 690 C C . VAL A 1 87 ? -6.537 2.104 34.760 1.00 11.57 ? 168 VAL A C 1 ATOM 691 O O . VAL A 1 87 ? -6.688 2.333 33.553 1.00 9.38 ? 168 VAL A O 1 ATOM 692 C CB . VAL A 1 87 ? -6.307 -0.157 35.859 1.00 8.75 ? 168 VAL A CB 1 ATOM 693 C CG1 . VAL A 1 87 ? -7.066 -1.294 36.557 1.00 11.81 ? 168 VAL A CG1 1 ATOM 694 C CG2 . VAL A 1 87 ? -5.490 -0.667 34.678 1.00 11.15 ? 168 VAL A CG2 1 ATOM 695 N N . LEU A 1 88 ? -5.771 2.851 35.548 1.00 9.90 ? 169 LEU A N 1 ATOM 696 C CA . LEU A 1 88 ? -5.141 4.049 35.018 1.00 9.29 ? 169 LEU A CA 1 ATOM 697 C C . LEU A 1 88 ? -4.184 3.707 33.887 1.00 8.81 ? 169 LEU A C 1 ATOM 698 O O . LEU A 1 88 ? -3.971 4.520 32.978 1.00 9.88 ? 169 LEU A O 1 ATOM 699 C CB . LEU A 1 88 ? -4.430 4.842 36.126 1.00 10.54 ? 169 LEU A CB 1 ATOM 700 C CG . LEU A 1 88 ? -5.346 5.364 37.241 1.00 11.18 ? 169 LEU A CG 1 ATOM 701 C CD1 . LEU A 1 88 ? -4.509 5.956 38.378 1.00 15.18 ? 169 LEU A CD1 1 ATOM 702 C CD2 . LEU A 1 88 ? -6.321 6.385 36.700 1.00 12.35 ? 169 LEU A CD2 1 ATOM 703 N N . GLY A 1 89 ? -3.617 2.506 33.942 1.00 11.97 ? 170 GLY A N 1 ATOM 704 C CA . GLY A 1 89 ? -2.649 2.098 32.941 1.00 10.16 ? 170 GLY A CA 1 ATOM 705 C C . GLY A 1 89 ? -3.245 1.556 31.648 1.00 11.67 ? 170 GLY A C 1 ATOM 706 O O . GLY A 1 89 ? -2.496 1.299 30.693 1.00 12.71 ? 170 GLY A O 1 ATOM 707 N N . ASN A 1 90 A -4.564 1.353 31.593 1.00 9.89 ? 171 ASN A N 1 ATOM 708 C CA . ASN A 1 90 A -5.167 0.845 30.356 1.00 10.72 ? 171 ASN A CA 1 ATOM 709 C C . ASN A 1 90 A -6.303 1.673 29.780 1.00 11.22 ? 171 ASN A C 1 ATOM 710 O O . ASN A 1 90 A -6.735 1.422 28.666 1.00 10.40 ? 171 ASN A O 1 ATOM 711 C CB . ASN A 1 90 A -5.580 -0.640 30.461 1.00 9.22 ? 171 ASN A CB 1 ATOM 712 C CG . ASN A 1 90 A -6.825 -0.862 31.317 1.00 9.23 ? 171 ASN A CG 1 ATOM 713 O OD1 . ASN A 1 90 A -7.391 0.073 31.876 1.00 10.81 ? 171 ASN A OD1 1 ATOM 714 N ND2 . ASN A 1 90 A -7.240 -2.130 31.436 1.00 9.47 ? 171 ASN A ND2 1 ATOM 715 N N . TYR A 1 91 ? -6.787 2.661 30.521 1.00 7.87 ? 171 TYR A N 1 ATOM 716 C CA . TYR A 1 91 ? -7.971 3.385 30.052 1.00 7.34 ? 171 TYR A CA 1 ATOM 717 C C . TYR A 1 91 ? -7.665 4.541 29.116 1.00 9.14 ? 171 TYR A C 1 ATOM 718 O O . TYR A 1 91 ? -6.549 5.063 29.094 1.00 9.88 ? 171 TYR A O 1 ATOM 719 C CB . TYR A 1 91 ? -8.829 3.886 31.218 1.00 8.65 ? 171 TYR A CB 1 ATOM 720 C CG . TYR A 1 91 ? -8.396 5.192 31.881 1.00 8.01 ? 171 TYR A CG 1 ATOM 721 C CD1 . TYR A 1 91 ? -9.314 6.227 32.056 1.00 9.69 ? 171 TYR A CD1 1 ATOM 722 C CD2 . TYR A 1 91 ? -7.098 5.376 32.370 1.00 9.39 ? 171 TYR A CD2 1 ATOM 723 C CE1 . TYR A 1 91 ? -8.963 7.415 32.686 1.00 10.62 ? 171 TYR A CE1 1 ATOM 724 C CE2 . TYR A 1 91 ? -6.730 6.576 32.997 1.00 10.07 ? 171 TYR A CE2 1 ATOM 725 C CZ . TYR A 1 91 ? -7.673 7.580 33.162 1.00 9.65 ? 171 TYR A CZ 1 ATOM 726 O OH . TYR A 1 91 ? -7.323 8.750 33.789 1.00 10.46 ? 171 TYR A OH 1 ATOM 727 N N . LYS A 1 92 ? -8.675 4.915 28.332 1.00 8.42 ? 172 LYS A N 1 ATOM 728 C CA . LYS A 1 92 ? -8.631 6.142 27.548 1.00 9.44 ? 172 LYS A CA 1 ATOM 729 C C . LYS A 1 92 ? -9.825 6.978 27.973 1.00 10.97 ? 172 LYS A C 1 ATOM 730 O O . LYS A 1 92 ? -10.906 6.432 28.204 1.00 9.02 ? 172 LYS A O 1 ATOM 731 C CB . LYS A 1 92 ? -8.695 5.837 26.047 1.00 11.11 ? 172 LYS A CB 1 ATOM 732 C CG . LYS A 1 92 ? -7.452 5.132 25.504 1.00 13.75 ? 172 LYS A CG 1 ATOM 733 C CD . LYS A 1 92 ? -6.194 5.961 25.771 1.00 18.27 ? 172 LYS A CD 1 ATOM 734 C CE . LYS A 1 92 ? -4.940 5.204 25.388 1.00 21.87 ? 172 LYS A CE 1 ATOM 735 N NZ . LYS A 1 92 ? -5.014 4.704 23.985 1.00 21.89 ? 172 LYS A NZ 1 ATOM 736 N N . GLU A 1 93 ? -9.629 8.288 28.097 1.00 10.74 ? 173 GLU A N 1 ATOM 737 C CA . GLU A 1 93 ? -10.734 9.185 28.428 1.00 9.52 ? 173 GLU A CA 1 ATOM 738 C C . GLU A 1 93 ? -11.293 9.761 27.127 1.00 12.21 ? 173 GLU A C 1 ATOM 739 O O . GLU A 1 93 ? -10.565 10.389 26.350 1.00 11.53 ? 173 GLU A O 1 ATOM 740 C CB . GLU A 1 93 ? -10.280 10.287 29.385 1.00 9.15 ? 173 GLU A CB 1 ATOM 741 C CG . GLU A 1 93 ? -11.466 11.067 30.047 1.00 10.37 ? 173 GLU A CG 1 ATOM 742 C CD . GLU A 1 93 ? -11.644 12.489 29.531 1.00 14.09 ? 173 GLU A CD 1 ATOM 743 O OE1 . GLU A 1 93 ? -10.951 12.913 28.581 1.00 14.16 ? 173 GLU A OE1 1 ATOM 744 O OE2 . GLU A 1 93 ? -12.489 13.205 30.100 1.00 13.34 ? 173 GLU A OE2 1 ATOM 745 N N . ILE A 1 94 ? -12.573 9.508 26.869 1.00 8.94 ? 174 ILE A N 1 ATOM 746 C CA . ILE A 1 94 ? -13.176 9.889 25.598 1.00 9.28 ? 174 ILE A CA 1 ATOM 747 C C . ILE A 1 94 ? -13.699 11.311 25.630 1.00 8.62 ? 174 ILE A C 1 ATOM 748 O O . ILE A 1 94 ? -13.476 12.083 24.694 1.00 9.93 ? 174 ILE A O 1 ATOM 749 C CB . ILE A 1 94 ? -14.337 8.945 25.204 1.00 9.71 ? 174 ILE A CB 1 ATOM 750 C CG1 . ILE A 1 94 ? -13.885 7.478 25.191 1.00 11.77 ? 174 ILE A CG1 1 ATOM 751 C CG2 . ILE A 1 94 ? -14.903 9.340 23.848 1.00 8.78 ? 174 ILE A CG2 1 ATOM 752 C CD1 . ILE A 1 94 ? -12.806 7.183 24.167 1.00 9.24 ? 174 ILE A CD1 1 ATOM 753 N N . CYS A 1 95 ? -14.397 11.658 26.711 1.00 10.12 ? 175 CYS A N 1 ATOM 754 C CA . CYS A 1 95 ? -14.936 13.002 26.872 1.00 9.34 ? 175 CYS A CA 1 ATOM 755 C C . CYS A 1 95 ? -15.508 13.154 28.280 1.00 12.11 ? 175 CYS A C 1 ATOM 756 O O . CYS A 1 95 ? -15.735 12.162 28.976 1.00 12.25 ? 175 CYS A O 1 ATOM 757 C CB . CYS A 1 95 ? -16.049 13.220 25.864 1.00 9.67 ? 175 CYS A CB 1 ATOM 758 S SG . CYS A 1 95 ? -17.325 11.919 26.069 1.00 14.38 ? 175 CYS A SG 1 ATOM 759 N N . ILE A 1 96 ? -15.733 14.398 28.696 1.00 11.83 ? 176 ILE A N 1 ATOM 760 C CA . ILE A 1 96 ? -16.408 14.661 29.960 1.00 13.52 ? 176 ILE A CA 1 ATOM 761 C C . ILE A 1 96 ? -17.864 14.305 29.755 1.00 11.79 ? 176 ILE A C 1 ATOM 762 O O . ILE A 1 96 ? -18.484 14.762 28.797 1.00 12.37 ? 176 ILE A O 1 ATOM 763 C CB . ILE A 1 96 ? -16.264 16.141 30.355 1.00 13.79 ? 176 ILE A CB 1 ATOM 764 C CG1 . ILE A 1 96 ? -14.777 16.521 30.410 1.00 11.81 ? 176 ILE A CG1 1 ATOM 765 C CG2 . ILE A 1 96 ? -16.916 16.399 31.702 1.00 13.37 ? 176 ILE A CG2 1 ATOM 766 C CD1 . ILE A 1 96 ? -14.544 18.005 30.414 1.00 12.94 ? 176 ILE A CD1 1 ATOM 767 N N . ALA A 1 97 ? -18.401 13.436 30.613 1.00 11.22 ? 177 ALA A N 1 ATOM 768 C CA . ALA A 1 97 ? -19.786 12.980 30.446 1.00 11.64 ? 177 ALA A CA 1 ATOM 769 C C . ALA A 1 97 ? -20.372 12.364 31.696 1.00 11.57 ? 177 ALA A C 1 ATOM 770 O O . ALA A 1 97 ? -19.710 11.577 32.380 1.00 12.78 ? 177 ALA A O 1 ATOM 771 C CB . ALA A 1 97 ? -19.889 11.977 29.288 1.00 13.28 ? 177 ALA A CB 1 ATOM 772 N N . TRP A 1 98 ? -21.642 12.696 31.973 1.00 12.05 ? 178 TRP A N 1 ATOM 773 C CA . TRP A 1 98 ? -22.443 11.895 32.905 1.00 13.74 ? 178 TRP A CA 1 ATOM 774 C C . TRP A 1 98 ? -23.616 11.171 32.245 1.00 14.90 ? 178 TRP A C 1 ATOM 775 O O . TRP A 1 98 ? -24.446 10.549 32.921 1.00 14.55 ? 178 TRP A O 1 ATOM 776 C CB . TRP A 1 98 ? -22.889 12.690 34.145 1.00 14.18 ? 178 TRP A CB 1 ATOM 777 C CG . TRP A 1 98 ? -23.416 14.105 33.939 1.00 13.08 ? 178 TRP A CG 1 ATOM 778 C CD1 . TRP A 1 98 ? -22.841 15.259 34.404 1.00 14.31 ? 178 TRP A CD1 1 ATOM 779 C CD2 . TRP A 1 98 ? -24.629 14.509 33.275 1.00 13.10 ? 178 TRP A CD2 1 ATOM 780 N NE1 . TRP A 1 98 ? -23.603 16.344 34.057 1.00 16.39 ? 178 TRP A NE1 1 ATOM 781 C CE2 . TRP A 1 98 ? -24.707 15.914 33.368 1.00 16.70 ? 178 TRP A CE2 1 ATOM 782 C CE3 . TRP A 1 98 ? -25.647 13.824 32.601 1.00 13.72 ? 178 TRP A CE3 1 ATOM 783 C CZ2 . TRP A 1 98 ? -25.760 16.646 32.812 1.00 15.89 ? 178 TRP A CZ2 1 ATOM 784 C CZ3 . TRP A 1 98 ? -26.703 14.557 32.051 1.00 14.44 ? 178 TRP A CZ3 1 ATOM 785 C CH2 . TRP A 1 98 ? -26.746 15.954 32.162 1.00 15.81 ? 178 TRP A CH2 1 ATOM 786 N N . SER A 1 99 ? -23.681 11.263 30.918 1.00 12.39 ? 179 SER A N 1 ATOM 787 C CA . SER A 1 99 ? -24.542 10.433 30.095 1.00 12.85 ? 179 SER A CA 1 ATOM 788 C C . SER A 1 99 ? -23.853 10.332 28.741 1.00 13.90 ? 179 SER A C 1 ATOM 789 O O . SER A 1 99 ? -23.265 11.311 28.277 1.00 13.27 ? 179 SER A O 1 ATOM 790 C CB . SER A 1 99 ? -25.936 11.054 29.948 1.00 13.23 ? 179 SER A CB 1 ATOM 791 O OG . SER A 1 99 ? -26.774 10.219 29.164 1.00 13.65 ? 179 SER A OG 1 ATOM 792 N N . SER A 1 100 ? -23.899 9.163 28.109 1.00 12.43 ? 180 SER A N 1 ATOM 793 C CA . SER A 1 100 ? -23.172 8.988 26.851 1.00 12.64 ? 180 SER A CA 1 ATOM 794 C C . SER A 1 100 ? -23.730 7.934 25.908 1.00 11.02 ? 180 SER A C 1 ATOM 795 O O . SER A 1 100 ? -24.529 7.066 26.288 1.00 12.75 ? 180 SER A O 1 ATOM 796 C CB . SER A 1 100 ? -21.686 8.684 27.128 1.00 11.45 ? 180 SER A CB 1 ATOM 797 O OG . SER A 1 100 ? -21.478 7.307 27.438 1.00 11.31 ? 180 SER A OG 1 ATOM 798 N N . SER A 1 101 ? -23.264 8.004 24.668 1.00 12.28 ? 181 SER A N 1 ATOM 799 C CA . SER A 1 101 ? -23.457 6.941 23.703 1.00 11.53 ? 181 SER A CA 1 ATOM 800 C C . SER A 1 101 ? -22.238 6.949 22.791 1.00 11.82 ? 181 SER A C 1 ATOM 801 O O . SER A 1 101 ? -21.632 7.999 22.595 1.00 11.51 ? 181 SER A O 1 ATOM 802 C CB . SER A 1 101 ? -24.735 7.169 22.895 1.00 11.75 ? 181 SER A CB 1 ATOM 803 O OG . SER A 1 101 ? -24.970 6.101 21.996 1.00 13.84 ? 181 SER A OG 1 ATOM 804 N N . SER A 1 102 ? -21.876 5.784 22.258 1.00 10.39 ? 182 SER A N 1 ATOM 805 C CA . SER A 1 102 ? -20.761 5.679 21.325 1.00 10.56 ? 182 SER A CA 1 ATOM 806 C C . SER A 1 102 ? -21.135 4.709 20.236 1.00 10.46 ? 182 SER A C 1 ATOM 807 O O . SER A 1 102 ? -21.855 3.739 20.481 1.00 12.10 ? 182 SER A O 1 ATOM 808 C CB . SER A 1 102 ? -19.501 5.144 22.018 1.00 9.50 ? 182 SER A CB 1 ATOM 809 O OG . SER A 1 102 ? -19.162 5.917 23.137 1.00 9.81 ? 182 SER A OG 1 ATOM 810 N N . CYS A 1 103 ? -20.637 4.957 19.031 1.00 10.34 ? 183 CYS A N 1 ATOM 811 C CA . CYS A 1 103 ? -20.790 3.994 17.948 1.00 11.14 ? 183 CYS A CA 1 ATOM 812 C C . CYS A 1 103 ? -19.771 4.243 16.846 1.00 11.51 ? 183 CYS A C 1 ATOM 813 O O . CYS A 1 103 ? -19.306 5.371 16.646 1.00 11.78 ? 183 CYS A O 1 ATOM 814 C CB . CYS A 1 103 ? -22.224 3.965 17.394 1.00 12.44 ? 183 CYS A CB 1 ATOM 815 S SG . CYS A 1 103 ? -22.961 5.589 17.022 1.00 15.51 ? 183 CYS A SG 1 ATOM 816 N N . PHE A 1 104 ? -19.406 3.169 16.156 1.00 10.21 ? 184 PHE A N 1 ATOM 817 C CA . PHE A 1 104 ? -18.402 3.218 15.107 1.00 10.71 ? 184 PHE A CA 1 ATOM 818 C C . PHE A 1 104 ? -19.115 3.113 13.765 1.00 11.84 ? 184 PHE A C 1 ATOM 819 O O . PHE A 1 104 ? -19.956 2.239 13.586 1.00 15.04 ? 184 PHE A O 1 ATOM 820 C CB . PHE A 1 104 ? -17.425 2.049 15.308 1.00 12.28 ? 184 PHE A CB 1 ATOM 821 C CG . PHE A 1 104 ? -16.255 2.067 14.373 1.00 11.14 ? 184 PHE A CG 1 ATOM 822 C CD1 . PHE A 1 104 ? -15.237 2.974 14.559 1.00 9.36 ? 184 PHE A CD1 1 ATOM 823 C CD2 . PHE A 1 104 ? -16.172 1.170 13.318 1.00 12.74 ? 184 PHE A CD2 1 ATOM 824 C CE1 . PHE A 1 104 ? -14.136 3.010 13.706 1.00 11.90 ? 184 PHE A CE1 1 ATOM 825 C CE2 . PHE A 1 104 ? -15.081 1.202 12.460 1.00 13.58 ? 184 PHE A CE2 1 ATOM 826 C CZ . PHE A 1 104 ? -14.067 2.124 12.657 1.00 12.08 ? 184 PHE A CZ 1 ATOM 827 N N . ASP A 1 105 ? -18.805 4.008 12.830 1.00 9.75 ? 185 ASP A N 1 ATOM 828 C CA . ASP A 1 105 ? -19.570 4.060 11.576 1.00 14.08 ? 185 ASP A CA 1 ATOM 829 C C . ASP A 1 105 ? -18.953 3.263 10.433 1.00 14.93 ? 185 ASP A C 1 ATOM 830 O O . ASP A 1 105 ? -19.462 3.277 9.317 1.00 15.74 ? 185 ASP A O 1 ATOM 831 C CB . ASP A 1 105 ? -19.834 5.516 11.147 1.00 11.62 ? 185 ASP A CB 1 ATOM 832 C CG . ASP A 1 105 ? -18.582 6.255 10.684 1.00 13.91 ? 185 ASP A CG 1 ATOM 833 O OD1 . ASP A 1 105 ? -17.484 5.663 10.590 1.00 13.40 ? 185 ASP A OD1 1 ATOM 834 O OD2 . ASP A 1 105 ? -18.700 7.472 10.415 1.00 14.82 ? 185 ASP A OD2 1 ATOM 835 N N . GLY A 1 106 ? -17.874 2.544 10.729 1.00 12.44 ? 186 GLY A N 1 ATOM 836 C CA . GLY A 1 106 ? -17.135 1.795 9.726 1.00 14.27 ? 186 GLY A CA 1 ATOM 837 C C . GLY A 1 106 ? -15.775 2.425 9.481 1.00 15.27 ? 186 GLY A C 1 ATOM 838 O O . GLY A 1 106 ? -14.818 1.740 9.081 1.00 16.76 ? 186 GLY A O 1 ATOM 839 N N . LYS A 1 107 ? -15.684 3.731 9.735 1.00 12.45 ? 187 LYS A N 1 ATOM 840 C CA . LYS A 1 107 ? -14.448 4.478 9.522 1.00 12.70 ? 187 LYS A CA 1 ATOM 841 C C . LYS A 1 107 ? -13.918 5.113 10.804 1.00 14.24 ? 187 LYS A C 1 ATOM 842 O O . LYS A 1 107 ? -12.709 5.065 11.082 1.00 13.28 ? 187 LYS A O 1 ATOM 843 C CB . LYS A 1 107 ? -14.653 5.585 8.493 1.00 14.90 ? 187 LYS A CB 1 ATOM 844 C CG . LYS A 1 107 ? -15.147 5.120 7.146 1.00 18.88 ? 187 LYS A CG 1 ATOM 845 C CD . LYS A 1 107 ? -15.201 6.287 6.159 1.00 20.03 ? 187 LYS A CD 1 ATOM 846 C CE . LYS A 1 107 ? -15.865 5.850 4.865 1.00 24.22 ? 187 LYS A CE 1 ATOM 847 N NZ . LYS A 1 107 ? -15.679 6.868 3.795 1.00 31.08 ? 187 LYS A NZ 1 ATOM 848 N N . GLU A 1 108 ? -14.819 5.729 11.568 1.00 12.15 ? 188 GLU A N 1 ATOM 849 C CA . GLU A 1 108 ? -14.424 6.461 12.771 1.00 12.47 ? 188 GLU A CA 1 ATOM 850 C C . GLU A 1 108 ? -15.456 6.295 13.871 1.00 10.63 ? 188 GLU A C 1 ATOM 851 O O . GLU A 1 108 ? -16.614 5.961 13.609 1.00 11.80 ? 188 GLU A O 1 ATOM 852 C CB . GLU A 1 108 ? -14.297 7.961 12.483 1.00 14.72 ? 188 GLU A CB 1 ATOM 853 C CG . GLU A 1 108 ? -13.380 8.326 11.340 1.00 15.94 ? 188 GLU A CG 1 ATOM 854 C CD . GLU A 1 108 ? -11.915 8.206 11.690 1.00 21.34 ? 188 GLU A CD 1 ATOM 855 O OE1 . GLU A 1 108 ? -11.574 8.104 12.892 1.00 19.58 ? 188 GLU A OE1 1 ATOM 856 O OE2 . GLU A 1 108 ? -11.090 8.236 10.751 1.00 24.54 ? 188 GLU A OE2 1 ATOM 857 N N . TRP A 1 109 ? -15.026 6.578 15.095 1.00 12.57 ? 189 TRP A N 1 ATOM 858 C CA . TRP A 1 109 ? -15.910 6.565 16.259 1.00 10.33 ? 189 TRP A CA 1 ATOM 859 C C . TRP A 1 109 ? -16.632 7.880 16.435 1.00 12.61 ? 189 TRP A C 1 ATOM 860 O O . TRP A 1 109 ? -16.026 8.951 16.313 1.00 12.56 ? 189 TRP A O 1 ATOM 861 C CB . TRP A 1 109 ? -15.083 6.338 17.523 1.00 13.25 ? 189 TRP A CB 1 ATOM 862 C CG . TRP A 1 109 ? -14.715 4.915 17.737 1.00 10.25 ? 189 TRP A CG 1 ATOM 863 C CD1 . TRP A 1 109 ? -13.517 4.316 17.454 1.00 11.43 ? 189 TRP A CD1 1 ATOM 864 C CD2 . TRP A 1 109 ? -15.554 3.895 18.290 1.00 9.89 ? 189 TRP A CD2 1 ATOM 865 N NE1 . TRP A 1 109 ? -13.566 2.982 17.794 1.00 12.32 ? 189 TRP A NE1 1 ATOM 866 C CE2 . TRP A 1 109 ? -14.807 2.703 18.312 1.00 10.69 ? 189 TRP A CE2 1 ATOM 867 C CE3 . TRP A 1 109 ? -16.868 3.879 18.772 1.00 11.39 ? 189 TRP A CE3 1 ATOM 868 C CZ2 . TRP A 1 109 ? -15.333 1.501 18.786 1.00 13.06 ? 189 TRP A CZ2 1 ATOM 869 C CZ3 . TRP A 1 109 ? -17.387 2.687 19.246 1.00 11.40 ? 189 TRP A CZ3 1 ATOM 870 C CH2 . TRP A 1 109 ? -16.618 1.513 19.253 1.00 13.30 ? 189 TRP A CH2 1 ATOM 871 N N . MET A 1 110 ? -17.917 7.783 16.767 1.00 11.08 ? 190 MET A N 1 ATOM 872 C CA . MET A 1 110 ? -18.687 8.936 17.217 1.00 12.60 ? 190 MET A CA 1 ATOM 873 C C . MET A 1 110 ? -19.064 8.729 18.676 1.00 10.30 ? 190 MET A C 1 ATOM 874 O O . MET A 1 110 ? -19.368 7.607 19.097 1.00 11.00 ? 190 MET A O 1 ATOM 875 C CB . MET A 1 110 ? -19.968 9.106 16.402 1.00 13.12 ? 190 MET A CB 1 ATOM 876 C CG . MET A 1 110 ? -20.706 10.392 16.768 1.00 14.19 ? 190 MET A CG 1 ATOM 877 S SD . MET A 1 110 ? -22.337 10.579 16.035 1.00 19.51 ? 190 MET A SD 1 ATOM 878 C CE . MET A 1 110 ? -23.285 9.297 16.850 1.00 15.32 ? 190 MET A CE 1 ATOM 879 N N . HIS A 1 111 ? -19.029 9.804 19.447 1.00 10.16 ? 191 HIS A N 1 ATOM 880 C CA . HIS A 1 111 ? -19.505 9.779 20.822 1.00 12.13 ? 191 HIS A CA 1 ATOM 881 C C . HIS A 1 111 ? -20.426 10.950 21.069 1.00 11.48 ? 191 HIS A C 1 ATOM 882 O O . HIS A 1 111 ? -20.273 12.014 20.470 1.00 12.56 ? 191 HIS A O 1 ATOM 883 C CB . HIS A 1 111 ? -18.336 9.871 21.796 1.00 10.62 ? 191 HIS A CB 1 ATOM 884 C CG . HIS A 1 111 ? -17.242 8.901 21.491 1.00 10.35 ? 191 HIS A CG 1 ATOM 885 N ND1 . HIS A 1 111 ? -17.298 7.592 21.886 1.00 10.61 ? 191 HIS A ND1 1 ATOM 886 C CD2 . HIS A 1 111 ? -16.073 9.060 20.820 1.00 10.51 ? 191 HIS A CD2 1 ATOM 887 C CE1 . HIS A 1 111 ? -16.195 6.965 21.468 1.00 9.92 ? 191 HIS A CE1 1 ATOM 888 N NE2 . HIS A 1 111 ? -15.454 7.838 20.821 1.00 9.76 ? 191 HIS A NE2 1 ATOM 889 N N . VAL A 1 112 ? -21.384 10.738 21.966 1.00 11.29 ? 192 VAL A N 1 ATOM 890 C CA . VAL A 1 112 ? -22.292 11.777 22.424 1.00 11.07 ? 192 VAL A CA 1 ATOM 891 C C . VAL A 1 112 ? -22.104 11.889 23.934 1.00 11.15 ? 192 VAL A C 1 ATOM 892 O O . VAL A 1 112 ? -22.275 10.901 24.656 1.00 11.38 ? 192 VAL A O 1 ATOM 893 C CB . VAL A 1 112 ? -23.746 11.389 22.103 1.00 13.51 ? 192 VAL A CB 1 ATOM 894 C CG1 . VAL A 1 112 ? -24.705 12.491 22.513 1.00 13.89 ? 192 VAL A CG1 1 ATOM 895 C CG2 . VAL A 1 112 ? -23.898 11.019 20.603 1.00 15.13 ? 192 VAL A CG2 1 ATOM 896 N N . CYS A 1 113 ? -21.736 13.077 24.408 1.00 12.42 ? 193 CYS A N 1 ATOM 897 C CA . CYS A 1 113 ? -21.294 13.265 25.795 1.00 11.41 ? 193 CYS A CA 1 ATOM 898 C C . CYS A 1 113 ? -22.049 14.400 26.493 1.00 12.06 ? 193 CYS A C 1 ATOM 899 O O . CYS A 1 113 ? -21.857 15.569 26.151 1.00 14.63 ? 193 CYS A O 1 ATOM 900 C CB . CYS A 1 113 ? -19.806 13.598 25.800 1.00 11.92 ? 193 CYS A CB 1 ATOM 901 S SG . CYS A 1 113 ? -18.844 12.410 24.818 1.00 14.28 ? 193 CYS A SG 1 ATOM 902 N N . MET A 1 114 ? -22.914 14.089 27.459 1.00 12.33 ? 194 MET A N 1 ATOM 903 C CA . MET A 1 114 ? -23.620 15.166 28.170 1.00 12.18 ? 194 MET A CA 1 ATOM 904 C C . MET A 1 114 ? -22.898 15.536 29.468 1.00 13.31 ? 194 MET A C 1 ATOM 905 O O . MET A 1 114 ? -22.527 14.658 30.245 1.00 13.47 ? 194 MET A O 1 ATOM 906 C CB . MET A 1 114 ? -25.059 14.765 28.507 1.00 14.81 ? 194 MET A CB 1 ATOM 907 C CG . MET A 1 114 ? -26.060 14.858 27.352 1.00 15.91 ? 194 MET A CG 1 ATOM 908 S SD . MET A 1 114 ? -25.825 13.556 26.133 1.00 16.43 ? 194 MET A SD 1 ATOM 909 C CE . MET A 1 114 ? -27.382 13.622 25.245 1.00 16.90 ? 194 MET A CE 1 ATOM 910 N N . THR A 1 115 ? -22.735 16.832 29.723 1.00 15.17 ? 195 THR A N 1 ATOM 911 C CA . THR A 1 115 ? -22.208 17.273 31.005 1.00 15.63 ? 195 THR A CA 1 ATOM 912 C C . THR A 1 115 ? -22.676 18.706 31.303 1.00 15.94 ? 195 THR A C 1 ATOM 913 O O . THR A 1 115 ? -23.308 19.351 30.461 1.00 17.72 ? 195 THR A O 1 ATOM 914 C CB . THR A 1 115 ? -20.654 17.139 31.068 1.00 16.27 ? 195 THR A CB 1 ATOM 915 O OG1 . THR A 1 115 ? -20.160 17.470 32.380 1.00 16.13 ? 195 THR A OG1 1 ATOM 916 C CG2 . THR A 1 115 ? -20.005 18.047 30.035 1.00 17.32 ? 195 THR A CG2 1 ATOM 917 N N . GLY A 1 116 ? -22.369 19.169 32.508 1.00 16.04 ? 196 GLY A N 1 ATOM 918 C CA . GLY A 1 116 ? -22.770 20.493 32.951 1.00 17.88 ? 196 GLY A CA 1 ATOM 919 C C . GLY A 1 116 ? -23.930 20.443 33.934 1.00 21.29 ? 196 GLY A C 1 ATOM 920 O O . GLY A 1 116 ? -24.320 19.377 34.430 1.00 18.12 ? 196 GLY A O 1 ATOM 921 N N . ASN A 1 117 ? -24.472 21.620 34.224 1.00 17.46 ? 197 ASN A N 1 ATOM 922 C CA . ASN A 1 117 ? -25.614 21.753 35.124 1.00 21.37 ? 197 ASN A CA 1 ATOM 923 C C . ASN A 1 117 ? -26.857 21.013 34.658 1.00 20.36 ? 197 ASN A C 1 ATOM 924 O O . ASN A 1 117 ? -27.156 20.959 33.464 1.00 18.53 ? 197 ASN A O 1 ATOM 925 C CB . ASN A 1 117 ? -25.966 23.229 35.294 1.00 21.93 ? 197 ASN A CB 1 ATOM 926 C CG . ASN A 1 117 ? -24.881 24.012 35.987 1.00 25.53 ? 197 ASN A CG 1 ATOM 927 O OD1 . ASN A 1 117 ? -24.732 25.217 35.765 1.00 30.15 ? 197 ASN A OD1 1 ATOM 928 N ND2 . ASN A 1 117 ? -24.132 23.348 36.847 1.00 24.24 ? 197 ASN A ND2 1 ATOM 929 N N . ASP A 1 118 ? -27.596 20.465 35.615 1.00 19.42 ? 198 ASP A N 1 ATOM 930 C CA . ASP A 1 118 ? -28.862 19.802 35.303 1.00 23.15 ? 198 ASP A CA 1 ATOM 931 C C . ASP A 1 118 ? -29.786 20.663 34.432 1.00 21.42 ? 198 ASP A C 1 ATOM 932 O O . ASP A 1 118 ? -30.462 20.146 33.540 1.00 21.01 ? 198 ASP A O 1 ATOM 933 C CB . ASP A 1 118 ? -29.595 19.404 36.587 1.00 24.82 ? 198 ASP A CB 1 ATOM 934 C CG . ASP A 1 118 ? -28.974 18.197 37.272 1.00 26.47 ? 198 ASP A CG 1 ATOM 935 O OD1 . ASP A 1 118 ? -27.937 17.679 36.789 1.00 21.53 ? 198 ASP A OD1 1 ATOM 936 O OD2 . ASP A 1 118 ? -29.533 17.757 38.301 1.00 25.02 ? 198 ASP A OD2 1 ATOM 937 N N . ASN A 1 119 ? -29.836 21.969 34.697 1.00 20.40 ? 199 ASN A N 1 ATOM 938 C CA . ASN A 1 119 ? -30.761 22.837 33.974 1.00 23.65 ? 199 ASN A CA 1 ATOM 939 C C . ASN A 1 119 ? -30.162 23.515 32.742 1.00 24.08 ? 199 ASN A C 1 ATOM 940 O O . ASN A 1 119 ? -30.808 24.353 32.108 1.00 24.70 ? 199 ASN A O 1 ATOM 941 C CB . ASN A 1 119 ? -31.387 23.884 34.913 1.00 22.58 ? 199 ASN A CB 1 ATOM 942 C CG . ASN A 1 119 ? -30.367 24.874 35.458 1.00 30.64 ? 199 ASN A CG 1 ATOM 943 O OD1 . ASN A 1 119 ? -30.708 25.784 36.223 1.00 32.76 ? 199 ASN A OD1 1 ATOM 944 N ND2 . ASN A 1 119 ? -29.114 24.705 35.070 1.00 25.22 ? 199 ASN A ND2 1 ATOM 945 N N . ASP A 1 120 ? -28.932 23.144 32.385 1.00 19.77 ? 200 ASP A N 1 ATOM 946 C CA . ASP A 1 120 ? -28.268 23.793 31.254 1.00 23.79 ? 200 ASP A CA 1 ATOM 947 C C . ASP A 1 120 ? -27.152 22.913 30.696 1.00 19.24 ? 200 ASP A C 1 ATOM 948 O O . ASP A 1 120 ? -26.047 23.387 30.405 1.00 20.35 ? 200 ASP A O 1 ATOM 949 C CB . ASP A 1 120 ? -27.692 25.151 31.677 1.00 23.92 ? 200 ASP A CB 1 ATOM 950 C CG . ASP A 1 120 ? -27.620 26.150 30.533 1.00 23.74 ? 200 ASP A CG 1 ATOM 951 O OD1 . ASP A 1 120 ? -28.061 25.816 29.415 1.00 27.03 ? 200 ASP A OD1 1 ATOM 952 O OD2 . ASP A 1 120 ? -27.117 27.272 30.769 1.00 29.45 ? 200 ASP A OD2 1 ATOM 953 N N . ALA A 1 121 ? -27.446 21.630 30.552 1.00 21.64 ? 201 ALA A N 1 ATOM 954 C CA . ALA A 1 121 ? -26.452 20.682 30.075 1.00 17.23 ? 201 ALA A CA 1 ATOM 955 C C . ALA A 1 121 ? -26.301 20.809 28.568 1.00 17.94 ? 201 ALA A C 1 ATOM 956 O O . ALA A 1 121 ? -27.172 21.339 27.895 1.00 20.15 ? 201 ALA A O 1 ATOM 957 C CB . ALA A 1 121 ? -26.864 19.265 30.454 1.00 17.72 ? 201 ALA A CB 1 ATOM 958 N N . SER A 1 122 ? -25.177 20.331 28.037 1.00 16.04 ? 202 SER A N 1 ATOM 959 C CA . SER A 1 122 ? -25.022 20.256 26.593 1.00 15.75 ? 202 SER A CA 1 ATOM 960 C C . SER A 1 122 ? -24.403 18.914 26.257 1.00 12.52 ? 202 SER A C 1 ATOM 961 O O . SER A 1 122 ? -23.659 18.353 27.063 1.00 14.97 ? 202 SER A O 1 ATOM 962 C CB . SER A 1 122 ? -24.134 21.386 26.057 1.00 17.20 ? 202 SER A CB 1 ATOM 963 O OG . SER A 1 122 ? -22.836 21.351 26.624 1.00 18.76 ? 202 SER A OG 1 ATOM 964 N N . ALA A 1 123 ? -24.743 18.406 25.081 1.00 15.56 ? 203 ALA A N 1 ATOM 965 C CA . ALA A 1 123 ? -24.158 17.180 24.567 1.00 13.16 ? 203 ALA A CA 1 ATOM 966 C C . ALA A 1 123 ? -23.099 17.550 23.546 1.00 15.48 ? 203 ALA A C 1 ATOM 967 O O . ALA A 1 123 ? -23.376 18.309 22.608 1.00 17.58 ? 203 ALA A O 1 ATOM 968 C CB . ALA A 1 123 ? -25.243 16.337 23.915 1.00 15.98 ? 203 ALA A CB 1 ATOM 969 N N . GLN A 1 124 ? -21.879 17.050 23.751 1.00 11.50 ? 204 GLN A N 1 ATOM 970 C CA . GLN A 1 124 ? -20.787 17.276 22.810 1.00 13.11 ? 204 GLN A CA 1 ATOM 971 C C . GLN A 1 124 ? -20.743 16.075 21.879 1.00 12.98 ? 204 GLN A C 1 ATOM 972 O O . GLN A 1 124 ? -20.795 14.931 22.341 1.00 12.29 ? 204 GLN A O 1 ATOM 973 C CB . GLN A 1 124 ? -19.454 17.423 23.548 1.00 10.68 ? 204 GLN A CB 1 ATOM 974 C CG . GLN A 1 124 ? -19.258 18.778 24.245 1.00 12.16 ? 204 GLN A CG 1 ATOM 975 C CD . GLN A 1 124 ? -20.402 19.109 25.177 1.00 16.68 ? 204 GLN A CD 1 ATOM 976 O OE1 . GLN A 1 124 ? -21.222 19.979 24.880 1.00 15.27 ? 204 GLN A OE1 1 ATOM 977 N NE2 . GLN A 1 124 ? -20.480 18.394 26.302 1.00 13.74 ? 204 GLN A NE2 1 ATOM 978 N N . ILE A 1 125 ? -20.710 16.335 20.572 1.00 11.68 ? 205 ILE A N 1 ATOM 979 C CA . ILE A 1 125 ? -20.527 15.287 19.579 1.00 10.93 ? 205 ILE A CA 1 ATOM 980 C C . ILE A 1 125 ? -19.056 15.202 19.210 1.00 11.08 ? 205 ILE A C 1 ATOM 981 O O . ILE A 1 125 ? -18.471 16.184 18.774 1.00 12.37 ? 205 ILE A O 1 ATOM 982 C CB . ILE A 1 125 ? -21.346 15.557 18.298 1.00 11.27 ? 205 ILE A CB 1 ATOM 983 C CG1 . ILE A 1 125 ? -22.788 15.935 18.658 1.00 14.39 ? 205 ILE A CG1 1 ATOM 984 C CG2 . ILE A 1 125 ? -21.289 14.355 17.354 1.00 13.72 ? 205 ILE A CG2 1 ATOM 985 C CD1 . ILE A 1 125 ? -23.591 14.790 19.294 1.00 16.64 ? 205 ILE A CD1 1 ATOM 986 N N . ILE A 1 126 ? -18.463 14.034 19.433 1.00 10.67 ? 206 ILE A N 1 ATOM 987 C CA . ILE A 1 126 ? -17.077 13.771 19.070 1.00 11.05 ? 206 ILE A CA 1 ATOM 988 C C . ILE A 1 126 ? -17.060 12.828 17.870 1.00 11.96 ? 206 ILE A C 1 ATOM 989 O O . ILE A 1 126 ? -17.785 11.831 17.841 1.00 11.69 ? 206 ILE A O 1 ATOM 990 C CB . ILE A 1 126 ? -16.293 13.084 20.224 1.00 12.96 ? 206 ILE A CB 1 ATOM 991 C CG1 . ILE A 1 126 ? -16.602 13.727 21.581 1.00 14.15 ? 206 ILE A CG1 1 ATOM 992 C CG2 . ILE A 1 126 ? -14.782 13.072 19.924 1.00 11.87 ? 206 ILE A CG2 1 ATOM 993 C CD1 . ILE A 1 126 ? -16.336 15.195 21.647 1.00 14.07 ? 206 ILE A CD1 1 ATOM 994 N N . TYR A 1 127 ? -16.236 13.149 16.876 1.00 11.07 ? 207 TYR A N 1 ATOM 995 C CA . TYR A 1 127 ? -16.086 12.286 15.712 1.00 10.11 ? 207 TYR A CA 1 ATOM 996 C C . TYR A 1 127 ? -14.619 12.206 15.304 1.00 10.64 ? 207 TYR A C 1 ATOM 997 O O . TYR A 1 127 ? -13.997 13.207 14.968 1.00 11.84 ? 207 TYR A O 1 ATOM 998 C CB . TYR A 1 127 ? -16.941 12.763 14.537 1.00 11.83 ? 207 TYR A CB 1 ATOM 999 C CG . TYR A 1 127 ? -16.899 11.811 13.357 1.00 15.04 ? 207 TYR A CG 1 ATOM 1000 C CD1 . TYR A 1 127 ? -17.672 10.655 13.347 1.00 12.99 ? 207 TYR A CD1 1 ATOM 1001 C CD2 . TYR A 1 127 ? -16.084 12.068 12.257 1.00 14.27 ? 207 TYR A CD2 1 ATOM 1002 C CE1 . TYR A 1 127 ? -17.640 9.767 12.267 1.00 13.94 ? 207 TYR A CE1 1 ATOM 1003 C CE2 . TYR A 1 127 ? -16.047 11.195 11.180 1.00 15.78 ? 207 TYR A CE2 1 ATOM 1004 C CZ . TYR A 1 127 ? -16.833 10.049 11.185 1.00 17.45 ? 207 TYR A CZ 1 ATOM 1005 O OH . TYR A 1 127 ? -16.786 9.183 10.113 1.00 15.43 ? 207 TYR A OH 1 ATOM 1006 N N . GLY A 1 128 ? -14.073 10.996 15.322 1.00 10.30 ? 208 GLY A N 1 ATOM 1007 C CA . GLY A 1 128 ? -12.652 10.832 15.019 1.00 11.60 ? 208 GLY A CA 1 ATOM 1008 C C . GLY A 1 128 ? -11.776 11.618 15.982 1.00 10.48 ? 208 GLY A C 1 ATOM 1009 O O . GLY A 1 128 ? -10.679 12.082 15.626 1.00 12.88 ? 208 GLY A O 1 ATOM 1010 N N . GLY A 1 129 ? -12.263 11.783 17.206 1.00 10.08 ? 209 GLY A N 1 ATOM 1011 C CA . GLY A 1 129 ? -11.486 12.425 18.250 1.00 11.23 ? 209 GLY A CA 1 ATOM 1012 C C . GLY A 1 129 ? -11.684 13.932 18.326 1.00 10.96 ? 209 GLY A C 1 ATOM 1013 O O . GLY A 1 129 ? -11.212 14.565 19.275 1.00 11.35 ? 209 GLY A O 1 ATOM 1014 N N . ARG A 1 130 ? -12.356 14.510 17.331 1.00 9.71 ? 210 ARG A N 1 ATOM 1015 C CA . ARG A 1 130 ? -12.574 15.953 17.293 1.00 11.92 ? 210 ARG A CA 1 ATOM 1016 C C . ARG A 1 130 ? -13.984 16.300 17.731 1.00 11.24 ? 210 ARG A C 1 ATOM 1017 O O . ARG A 1 130 ? -14.930 15.644 17.332 1.00 10.82 ? 210 ARG A O 1 ATOM 1018 C CB . ARG A 1 130 ? -12.348 16.499 15.881 1.00 13.46 ? 210 ARG A CB 1 ATOM 1019 C CG . ARG A 1 130 ? -12.364 18.024 15.822 1.00 20.48 ? 210 ARG A CG 1 ATOM 1020 C CD . ARG A 1 130 ? -12.055 18.549 14.434 1.00 21.81 ? 210 ARG A CD 1 ATOM 1021 N NE . ARG A 1 130 ? -13.244 19.002 13.729 1.00 26.89 ? 210 ARG A NE 1 ATOM 1022 C CZ . ARG A 1 130 ? -13.843 18.344 12.743 1.00 28.89 ? 210 ARG A CZ 1 ATOM 1023 N NH1 . ARG A 1 130 ? -13.382 17.161 12.325 1.00 30.52 ? 210 ARG A NH1 1 ATOM 1024 N NH2 . ARG A 1 130 ? -14.920 18.879 12.174 1.00 33.86 ? 210 ARG A NH2 1 ATOM 1025 N N . MET A 1 131 ? -14.131 17.327 18.552 1.00 11.62 ? 211 MET A N 1 ATOM 1026 C CA . MET A 1 131 ? -15.475 17.818 18.854 1.00 10.95 ? 211 MET A CA 1 ATOM 1027 C C . MET A 1 131 ? -16.051 18.526 17.626 1.00 12.92 ? 211 MET A C 1 ATOM 1028 O O . MET A 1 131 ? -15.542 19.566 17.214 1.00 16.59 ? 211 MET A O 1 ATOM 1029 C CB . MET A 1 131 ? -15.451 18.778 20.035 1.00 10.18 ? 211 MET A CB 1 ATOM 1030 C CG . MET A 1 131 ? -16.870 19.181 20.473 1.00 12.01 ? 211 MET A CG 1 ATOM 1031 S SD . MET A 1 131 ? -16.844 20.405 21.789 1.00 15.45 ? 211 MET A SD 1 ATOM 1032 C CE . MET A 1 131 ? -15.921 19.503 23.044 1.00 14.87 ? 211 MET A CE 1 ATOM 1033 N N . THR A 1 132 ? -17.106 17.959 17.050 1.00 12.42 ? 212 THR A N 1 ATOM 1034 C CA . THR A 1 132 ? -17.654 18.418 15.773 1.00 13.95 ? 212 THR A CA 1 ATOM 1035 C C . THR A 1 132 ? -19.012 19.124 15.852 1.00 16.31 ? 212 THR A C 1 ATOM 1036 O O . THR A 1 132 ? -19.395 19.827 14.918 1.00 16.59 ? 212 THR A O 1 ATOM 1037 C CB . THR A 1 132 ? -17.850 17.243 14.817 1.00 14.00 ? 212 THR A CB 1 ATOM 1038 O OG1 . THR A 1 132 ? -18.536 16.188 15.505 1.00 12.57 ? 212 THR A OG1 1 ATOM 1039 C CG2 . THR A 1 132 ? -16.517 16.712 14.324 1.00 14.22 ? 212 THR A CG2 1 ATOM 1040 N N . ASP A 1 133 ? -19.760 18.912 16.931 1.00 13.56 ? 213 ASP A N 1 ATOM 1041 C CA . ASP A 1 133 ? -21.093 19.509 17.026 1.00 14.66 ? 213 ASP A CA 1 ATOM 1042 C C . ASP A 1 133 ? -21.576 19.415 18.472 1.00 15.96 ? 213 ASP A C 1 ATOM 1043 O O . ASP A 1 133 ? -20.855 18.921 19.346 1.00 13.70 ? 213 ASP A O 1 ATOM 1044 C CB . ASP A 1 133 ? -22.045 18.803 16.057 1.00 15.32 ? 213 ASP A CB 1 ATOM 1045 C CG . ASP A 1 133 ? -23.068 19.743 15.432 1.00 20.07 ? 213 ASP A CG 1 ATOM 1046 O OD1 . ASP A 1 133 ? -23.350 20.796 16.034 1.00 19.64 ? 213 ASP A OD1 1 ATOM 1047 O OD2 . ASP A 1 133 ? -23.591 19.410 14.346 1.00 17.31 ? 213 ASP A OD2 1 ATOM 1048 N N . SER A 1 134 ? -22.774 19.908 18.742 1.00 15.80 ? 214 SER A N 1 ATOM 1049 C CA . SER A 1 134 ? -23.289 19.847 20.100 1.00 15.69 ? 214 SER A CA 1 ATOM 1050 C C . SER A 1 134 ? -24.796 19.997 20.099 1.00 18.76 ? 214 SER A C 1 ATOM 1051 O O . SER A 1 134 ? -25.379 20.463 19.126 1.00 18.45 ? 214 SER A O 1 ATOM 1052 C CB . SER A 1 134 ? -22.657 20.931 20.979 1.00 15.36 ? 214 SER A CB 1 ATOM 1053 O OG . SER A 1 134 ? -23.002 22.234 20.510 1.00 16.43 ? 214 SER A OG 1 ATOM 1054 N N . ILE A 1 135 ? -25.414 19.581 21.196 1.00 17.12 ? 215 ILE A N 1 ATOM 1055 C CA . ILE A 1 135 ? -26.847 19.773 21.399 1.00 19.23 ? 215 ILE A CA 1 ATOM 1056 C C . ILE A 1 135 ? -27.020 20.506 22.713 1.00 17.19 ? 215 ILE A C 1 ATOM 1057 O O . ILE A 1 135 ? -26.455 20.116 23.724 1.00 18.71 ? 215 ILE A O 1 ATOM 1058 C CB . ILE A 1 135 ? -27.574 18.432 21.492 1.00 18.69 ? 215 ILE A CB 1 ATOM 1059 C CG1 . ILE A 1 135 ? -27.370 17.605 20.217 1.00 18.18 ? 215 ILE A CG1 1 ATOM 1060 C CG2 . ILE A 1 135 ? -29.081 18.645 21.767 1.00 19.12 ? 215 ILE A CG2 1 ATOM 1061 C CD1 . ILE A 1 135 ? -27.798 16.157 20.358 1.00 18.34 ? 215 ILE A CD1 1 ATOM 1062 N N . LYS A 1 136 ? -27.792 21.589 22.700 1.00 19.23 ? 216 LYS A N 1 ATOM 1063 C CA . LYS A 1 136 ? -28.030 22.364 23.906 1.00 20.20 ? 216 LYS A CA 1 ATOM 1064 C C . LYS A 1 136 ? -29.342 21.908 24.522 1.00 21.28 ? 216 LYS A C 1 ATOM 1065 O O . LYS A 1 136 ? -30.309 21.676 23.800 1.00 22.43 ? 216 LYS A O 1 ATOM 1066 C CB . LYS A 1 136 ? -28.105 23.857 23.567 1.00 22.01 ? 216 LYS A CB 1 ATOM 1067 C CG . LYS A 1 136 ? -28.335 24.736 24.769 1.00 23.78 ? 216 LYS A CG 1 ATOM 1068 C CD . LYS A 1 136 ? -28.360 26.231 24.408 1.00 28.04 ? 216 LYS A CD 1 ATOM 1069 C CE . LYS A 1 136 ? -28.774 27.094 25.595 1.00 31.25 ? 216 LYS A CE 1 ATOM 1070 N NZ . LYS A 1 136 ? -27.674 27.346 26.576 1.00 35.79 ? 216 LYS A NZ 1 ATOM 1071 N N . SER A 1 137 ? -29.371 21.758 25.845 1.00 19.35 ? 217 SER A N 1 ATOM 1072 C CA . SER A 1 137 ? -30.593 21.336 26.524 1.00 20.17 ? 217 SER A CA 1 ATOM 1073 C C . SER A 1 137 ? -31.710 22.307 26.156 1.00 23.59 ? 217 SER A C 1 ATOM 1074 O O . SER A 1 137 ? -31.522 23.517 26.230 1.00 23.08 ? 217 SER A O 1 ATOM 1075 C CB . SER A 1 137 ? -30.393 21.304 28.039 1.00 20.37 ? 217 SER A CB 1 ATOM 1076 O OG . SER A 1 137 ? -31.603 20.951 28.692 1.00 21.26 ? 217 SER A OG 1 ATOM 1077 N N . TRP A 1 138 ? -32.858 21.775 25.741 1.00 21.31 ? 218 TRP A N 1 ATOM 1078 C CA . TRP A 1 138 ? -33.969 22.627 25.299 1.00 24.18 ? 218 TRP A CA 1 ATOM 1079 C C . TRP A 1 138 ? -35.143 22.603 26.271 1.00 27.71 ? 218 TRP A C 1 ATOM 1080 O O . TRP A 1 138 ? -35.951 23.537 26.297 1.00 27.58 ? 218 TRP A O 1 ATOM 1081 C CB . TRP A 1 138 ? -34.426 22.245 23.885 1.00 26.33 ? 218 TRP A CB 1 ATOM 1082 C CG . TRP A 1 138 ? -35.074 20.896 23.798 1.00 25.05 ? 218 TRP A CG 1 ATOM 1083 C CD1 . TRP A 1 138 ? -36.406 20.619 23.908 1.00 25.91 ? 218 TRP A CD1 1 ATOM 1084 C CD2 . TRP A 1 138 ? -34.420 19.638 23.589 1.00 22.52 ? 218 TRP A CD2 1 ATOM 1085 N NE1 . TRP A 1 138 ? -36.624 19.272 23.778 1.00 25.34 ? 218 TRP A NE1 1 ATOM 1086 C CE2 . TRP A 1 138 ? -35.420 18.644 23.586 1.00 22.65 ? 218 TRP A CE2 1 ATOM 1087 C CE3 . TRP A 1 138 ? -33.084 19.255 23.409 1.00 25.26 ? 218 TRP A CE3 1 ATOM 1088 C CZ2 . TRP A 1 138 ? -35.133 17.292 23.404 1.00 26.14 ? 218 TRP A CZ2 1 ATOM 1089 C CZ3 . TRP A 1 138 ? -32.798 17.914 23.231 1.00 23.07 ? 218 TRP A CZ3 1 ATOM 1090 C CH2 . TRP A 1 138 ? -33.815 16.946 23.237 1.00 22.14 ? 218 TRP A CH2 1 ATOM 1091 N N . ARG A 1 139 ? -35.245 21.534 27.059 1.00 25.52 ? 219 ARG A N 1 ATOM 1092 C CA . ARG A 1 139 ? -36.230 21.466 28.140 1.00 26.51 ? 219 ARG A CA 1 ATOM 1093 C C . ARG A 1 139 ? -35.564 21.792 29.468 1.00 25.49 ? 219 ARG A C 1 ATOM 1094 O O . ARG A 1 139 ? -36.220 21.845 30.507 1.00 25.43 ? 219 ARG A O 1 ATOM 1095 C CB . ARG A 1 139 ? -36.863 20.077 28.228 1.00 26.92 ? 219 ARG A CB 1 ATOM 1096 C CG . ARG A 1 139 ? -37.904 19.756 27.169 1.00 31.36 ? 219 ARG A CG 1 ATOM 1097 C CD . ARG A 1 139 ? -39.269 20.364 27.489 1.00 36.52 ? 219 ARG A CD 1 ATOM 1098 N NE . ARG A 1 139 ? -39.814 19.973 28.794 1.00 35.58 ? 219 ARG A NE 1 ATOM 1099 C CZ . ARG A 1 139 ? -40.796 19.093 28.980 1.00 34.86 ? 219 ARG A CZ 1 ATOM 1100 N NH1 . ARG A 1 139 ? -41.349 18.466 27.948 1.00 32.65 ? 219 ARG A NH1 1 ATOM 1101 N NH2 . ARG A 1 139 ? -41.224 18.832 30.208 1.00 33.72 ? 219 ARG A NH2 1 ATOM 1102 N N . LYS A 1 140 ? -34.247 21.976 29.441 1.00 22.93 ? 220 LYS A N 1 ATOM 1103 C CA . LYS A 1 140 ? -33.514 22.339 30.643 1.00 22.00 ? 220 LYS A CA 1 ATOM 1104 C C . LYS A 1 140 ? -33.738 21.390 31.816 1.00 23.46 ? 220 LYS A C 1 ATOM 1105 O O . LYS A 1 140 ? -33.829 21.820 32.968 1.00 23.98 ? 220 LYS A O 1 ATOM 1106 C CB . LYS A 1 140 ? -33.830 23.782 31.060 1.00 24.54 ? 220 LYS A CB 1 ATOM 1107 C CG . LYS A 1 140 ? -33.388 24.820 30.051 1.00 26.68 ? 220 LYS A CG 1 ATOM 1108 C CD . LYS A 1 140 ? -33.640 26.229 30.570 1.00 31.04 ? 220 LYS A CD 1 ATOM 1109 C CE . LYS A 1 140 ? -33.311 27.264 29.511 1.00 34.66 ? 220 LYS A CE 1 ATOM 1110 N NZ . LYS A 1 140 ? -31.888 27.176 29.088 1.00 39.04 ? 220 LYS A NZ 1 ATOM 1111 N N . ASP A 1 141 ? -33.790 20.092 31.539 1.00 22.41 ? 221 ASP A N 1 ATOM 1112 C CA . ASP A 1 141 ? -33.987 19.124 32.608 1.00 21.42 ? 221 ASP A CA 1 ATOM 1113 C C . ASP A 1 141 ? -33.272 17.815 32.323 1.00 19.47 ? 221 ASP A C 1 ATOM 1114 O O . ASP A 1 141 ? -33.886 16.845 31.871 1.00 19.52 ? 221 ASP A O 1 ATOM 1115 C CB . ASP A 1 141 ? -35.480 18.859 32.835 1.00 23.49 ? 221 ASP A CB 1 ATOM 1116 C CG . ASP A 1 141 ? -35.750 18.078 34.114 1.00 26.31 ? 221 ASP A CG 1 ATOM 1117 O OD1 . ASP A 1 141 ? -34.788 17.635 34.782 1.00 26.65 ? 221 ASP A OD1 1 ATOM 1118 O OD2 . ASP A 1 141 ? -36.943 17.904 34.457 1.00 29.75 ? 221 ASP A OD2 1 ATOM 1119 N N . ILE A 1 142 ? -31.966 17.814 32.593 1.00 19.52 ? 222 ILE A N 1 ATOM 1120 C CA . ILE A 1 142 ? -31.117 16.628 32.479 1.00 17.91 ? 222 ILE A CA 1 ATOM 1121 C C . ILE A 1 142 ? -31.122 16.004 31.091 1.00 18.71 ? 222 ILE A C 1 ATOM 1122 O O . ILE A 1 142 ? -31.497 14.843 30.914 1.00 18.29 ? 222 ILE A O 1 ATOM 1123 C CB . ILE A 1 142 ? -31.433 15.578 33.561 1.00 18.32 ? 222 ILE A CB 1 ATOM 1124 C CG1 . ILE A 1 142 ? -31.453 16.248 34.940 1.00 21.97 ? 222 ILE A CG1 1 ATOM 1125 C CG2 . ILE A 1 142 ? -30.410 14.429 33.507 1.00 19.52 ? 222 ILE A CG2 1 ATOM 1126 C CD1 . ILE A 1 142 ? -31.889 15.338 36.074 1.00 22.53 ? 222 ILE A CD1 1 ATOM 1127 N N . LEU A 1 143 ? -30.680 16.778 30.105 1.00 18.90 ? 223 LEU A N 1 ATOM 1128 C CA . LEU A 1 143 ? -30.491 16.251 28.762 1.00 16.84 ? 223 LEU A CA 1 ATOM 1129 C C . LEU A 1 143 ? -29.640 14.980 28.882 1.00 16.46 ? 223 LEU A C 1 ATOM 1130 O O . LEU A 1 143 ? -28.632 14.970 29.580 1.00 17.39 ? 223 LEU A O 1 ATOM 1131 C CB . LEU A 1 143 ? -29.790 17.307 27.903 1.00 16.53 ? 223 LEU A CB 1 ATOM 1132 C CG . LEU A 1 143 ? -29.293 16.901 26.517 1.00 18.30 ? 223 LEU A CG 1 ATOM 1133 C CD1 . LEU A 1 143 ? -30.452 16.664 25.580 1.00 18.90 ? 223 LEU A CD1 1 ATOM 1134 C CD2 . LEU A 1 143 ? -28.350 17.978 25.967 1.00 15.30 ? 223 LEU A CD2 1 ATOM 1135 N N . ARG A 1 144 ? -30.066 13.907 28.227 1.00 16.07 ? 224 ARG A N 1 ATOM 1136 C CA . ARG A 1 144 ? -29.484 12.593 28.473 1.00 14.68 ? 224 ARG A CA 1 ATOM 1137 C C . ARG A 1 144 ? -29.689 11.657 27.295 1.00 14.54 ? 224 ARG A C 1 ATOM 1138 O O . ARG A 1 144 ? -30.512 11.900 26.411 1.00 15.11 ? 224 ARG A O 1 ATOM 1139 C CB . ARG A 1 144 ? -30.066 11.975 29.756 1.00 16.76 ? 224 ARG A CB 1 ATOM 1140 C CG . ARG A 1 144 ? -31.601 11.940 29.817 1.00 17.35 ? 224 ARG A CG 1 ATOM 1141 C CD . ARG A 1 144 ? -32.075 11.644 31.238 1.00 17.21 ? 224 ARG A CD 1 ATOM 1142 N NE . ARG A 1 144 ? -33.533 11.487 31.339 1.00 20.90 ? 224 ARG A NE 1 ATOM 1143 C CZ . ARG A 1 144 ? -34.400 12.492 31.455 1.00 21.23 ? 224 ARG A CZ 1 ATOM 1144 N NH1 . ARG A 1 144 ? -33.979 13.747 31.449 1.00 20.69 ? 224 ARG A NH1 1 ATOM 1145 N NH2 . ARG A 1 144 ? -35.705 12.239 31.562 1.00 23.31 ? 224 ARG A NH2 1 ATOM 1146 N N . THR A 1 145 ? -28.931 10.572 27.282 1.00 14.98 ? 225 THR A N 1 ATOM 1147 C CA . THR A 1 145 ? -28.966 9.678 26.138 1.00 13.48 ? 225 THR A CA 1 ATOM 1148 C C . THR A 1 145 ? -28.876 8.194 26.528 1.00 17.66 ? 225 THR A C 1 ATOM 1149 O O . THR A 1 145 ? -29.192 7.829 27.660 1.00 15.90 ? 225 THR A O 1 ATOM 1150 C CB . THR A 1 145 ? -27.918 10.115 25.079 1.00 15.53 ? 225 THR A CB 1 ATOM 1151 O OG1 . THR A 1 145 ? -28.126 9.406 23.859 1.00 14.55 ? 225 THR A OG1 1 ATOM 1152 C CG2 . THR A 1 145 ? -26.496 9.921 25.587 1.00 14.34 ? 225 THR A CG2 1 ATOM 1153 N N . GLN A 1 146 ? -28.458 7.350 25.588 1.00 14.22 ? 226 GLN A N 1 ATOM 1154 C CA . GLN A 1 146 ? -28.684 5.900 25.675 1.00 12.92 ? 226 GLN A CA 1 ATOM 1155 C C . GLN A 1 146 ? -27.974 5.131 26.790 1.00 13.73 ? 226 GLN A C 1 ATOM 1156 O O . GLN A 1 146 ? -28.555 4.207 27.358 1.00 13.24 ? 226 GLN A O 1 ATOM 1157 C CB . GLN A 1 146 ? -28.356 5.242 24.336 1.00 12.95 ? 226 GLN A CB 1 ATOM 1158 C CG . GLN A 1 146 ? -29.177 5.795 23.198 1.00 14.11 ? 226 GLN A CG 1 ATOM 1159 C CD . GLN A 1 146 ? -28.924 5.085 21.896 1.00 16.01 ? 226 GLN A CD 1 ATOM 1160 O OE1 . GLN A 1 146 ? -28.197 4.075 21.829 1.00 17.18 ? 226 GLN A OE1 1 ATOM 1161 N NE2 . GLN A 1 146 ? -29.531 5.590 20.847 1.00 14.43 ? 226 GLN A NE2 1 ATOM 1162 N N . GLU A 1 147 ? -26.722 5.484 27.063 1.00 12.71 ? 227 GLU A N 1 ATOM 1163 C CA . GLU A 1 147 ? -25.832 4.697 27.934 1.00 11.71 ? 227 GLU A CA 1 ATOM 1164 C C . GLU A 1 147 ? -25.562 3.319 27.333 1.00 11.27 ? 227 GLU A C 1 ATOM 1165 O O . GLU A 1 147 ? -25.260 2.360 28.048 1.00 12.40 ? 227 GLU A O 1 ATOM 1166 C CB . GLU A 1 147 ? -26.365 4.542 29.372 1.00 12.93 ? 227 GLU A CB 1 ATOM 1167 C CG . GLU A 1 147 ? -27.160 5.715 29.911 1.00 14.54 ? 227 GLU A CG 1 ATOM 1168 C CD . GLU A 1 147 ? -26.353 6.998 30.098 1.00 15.15 ? 227 GLU A CD 1 ATOM 1169 O OE1 . GLU A 1 147 ? -25.134 7.045 29.785 1.00 14.44 ? 227 GLU A OE1 1 ATOM 1170 O OE2 . GLU A 1 147 ? -26.962 7.983 30.566 1.00 15.93 ? 227 GLU A OE2 1 ATOM 1171 N N . SER A 1 148 ? -25.687 3.217 26.015 1.00 12.83 ? 228 SER A N 1 ATOM 1172 C CA . SER A 1 148 ? -25.169 2.071 25.278 1.00 11.97 ? 228 SER A CA 1 ATOM 1173 C C . SER A 1 148 ? -24.906 2.507 23.845 1.00 12.29 ? 228 SER A C 1 ATOM 1174 O O . SER A 1 148 ? -25.078 3.691 23.512 1.00 13.21 ? 228 SER A O 1 ATOM 1175 C CB . SER A 1 148 ? -26.123 0.881 25.335 1.00 11.93 ? 228 SER A CB 1 ATOM 1176 O OG . SER A 1 148 ? -27.364 1.205 24.735 1.00 13.43 ? 228 SER A OG 1 ATOM 1177 N N . GLU A 1 149 ? -24.475 1.578 23.000 1.00 10.81 ? 229 GLU A N 1 ATOM 1178 C CA . GLU A 1 149 ? -23.998 1.975 21.681 1.00 10.13 ? 229 GLU A CA 1 ATOM 1179 C C . GLU A 1 149 ? -25.118 2.498 20.790 1.00 11.56 ? 229 GLU A C 1 ATOM 1180 O O . GLU A 1 149 ? -26.237 1.959 20.778 1.00 12.65 ? 229 GLU A O 1 ATOM 1181 C CB . GLU A 1 149 ? -23.224 0.837 20.988 1.00 10.59 ? 229 GLU A CB 1 ATOM 1182 C CG . GLU A 1 149 ? -24.113 -0.223 20.334 1.00 12.24 ? 229 GLU A CG 1 ATOM 1183 C CD . GLU A 1 149 ? -23.303 -1.172 19.466 1.00 15.68 ? 229 GLU A CD 1 ATOM 1184 O OE1 . GLU A 1 149 ? -23.884 -2.095 18.852 1.00 14.87 ? 229 GLU A OE1 1 ATOM 1185 O OE2 . GLU A 1 149 ? -22.070 -0.989 19.392 1.00 14.87 ? 229 GLU A OE2 1 ATOM 1186 N N . CYS A 1 150 ? -24.806 3.561 20.057 1.00 12.61 ? 230 CYS A N 1 ATOM 1187 C CA . CYS A 1 150 ? -25.685 4.022 18.998 1.00 12.65 ? 230 CYS A CA 1 ATOM 1188 C C . CYS A 1 150 ? -25.459 3.144 17.766 1.00 12.55 ? 230 CYS A C 1 ATOM 1189 O O . CYS A 1 150 ? -24.734 2.142 17.831 1.00 12.70 ? 230 CYS A O 1 ATOM 1190 C CB . CYS A 1 150 ? -25.492 5.529 18.702 1.00 14.92 ? 230 CYS A CB 1 ATOM 1191 S SG . CYS A 1 150 ? -23.780 6.159 18.783 1.00 14.85 ? 230 CYS A SG 1 ATOM 1192 N N . GLN A 1 151 ? -26.098 3.486 16.652 1.00 15.40 ? 231 GLN A N 1 ATOM 1193 C CA . GLN A 1 151 ? -25.992 2.662 15.452 1.00 14.20 ? 231 GLN A CA 1 ATOM 1194 C C . GLN A 1 151 ? -25.806 3.554 14.235 1.00 16.45 ? 231 GLN A C 1 ATOM 1195 O O . GLN A 1 151 ? -26.324 4.664 14.199 1.00 17.88 ? 231 GLN A O 1 ATOM 1196 C CB . GLN A 1 151 ? -27.226 1.766 15.284 1.00 17.93 ? 231 GLN A CB 1 ATOM 1197 C CG . GLN A 1 151 ? -27.480 0.817 16.461 1.00 14.72 ? 231 GLN A CG 1 ATOM 1198 C CD . GLN A 1 151 ? -26.360 -0.187 16.673 1.00 15.76 ? 231 GLN A CD 1 ATOM 1199 O OE1 . GLN A 1 151 ? -25.538 -0.419 15.790 1.00 16.68 ? 231 GLN A OE1 1 ATOM 1200 N NE2 . GLN A 1 151 ? -26.328 -0.786 17.856 1.00 14.13 ? 231 GLN A NE2 1 ATOM 1201 N N . CYS A 1 152 ? -25.053 3.069 13.254 1.00 15.86 ? 232 CYS A N 1 ATOM 1202 C CA . CYS A 1 152 ? -24.718 3.851 12.066 1.00 17.25 ? 232 CYS A CA 1 ATOM 1203 C C . CYS A 1 152 ? -24.982 3.031 10.809 1.00 19.77 ? 232 CYS A C 1 ATOM 1204 O O . CYS A 1 152 ? -24.578 1.862 10.710 1.00 18.10 ? 232 CYS A O 1 ATOM 1205 C CB . CYS A 1 152 ? -23.241 4.276 12.091 1.00 18.61 ? 232 CYS A CB 1 ATOM 1206 S SG . CYS A 1 152 ? -22.721 5.143 13.589 1.00 17.53 ? 232 CYS A SG 1 ATOM 1207 N N . ILE A 1 153 ? -25.657 3.650 9.846 1.00 16.71 ? 233 ILE A N 1 ATOM 1208 C CA . ILE A 1 153 ? -25.983 2.991 8.593 1.00 18.64 ? 233 ILE A CA 1 ATOM 1209 C C . ILE A 1 153 ? -25.591 3.853 7.404 1.00 20.08 ? 233 ILE A C 1 ATOM 1210 O O . ILE A 1 153 ? -26.047 5.000 7.281 1.00 20.53 ? 233 ILE A O 1 ATOM 1211 C CB . ILE A 1 153 ? -27.487 2.664 8.503 1.00 22.60 ? 233 ILE A CB 1 ATOM 1212 C CG1 . ILE A 1 153 ? -27.936 1.858 9.730 1.00 20.76 ? 233 ILE A CG1 1 ATOM 1213 C CG2 . ILE A 1 153 ? -27.775 1.899 7.219 1.00 24.72 ? 233 ILE A CG2 1 ATOM 1214 C CD1 . ILE A 1 153 ? -29.412 1.462 9.686 1.00 22.21 ? 233 ILE A CD1 1 ATOM 1215 N N . ASP A 1 154 ? -24.750 3.293 6.537 1.00 17.32 ? 234 ASP A N 1 ATOM 1216 C CA . ASP A 1 154 ? -24.194 4.006 5.383 1.00 19.60 ? 234 ASP A CA 1 ATOM 1217 C C . ASP A 1 154 ? -23.629 5.388 5.723 1.00 19.72 ? 234 ASP A C 1 ATOM 1218 O O . ASP A 1 154 ? -23.741 6.335 4.935 1.00 22.77 ? 234 ASP A O 1 ATOM 1219 C CB . ASP A 1 154 ? -25.228 4.093 4.255 1.00 21.98 ? 234 ASP A CB 1 ATOM 1220 C CG . ASP A 1 154 ? -25.614 2.733 3.714 1.00 24.79 ? 234 ASP A CG 1 ATOM 1221 O OD1 . ASP A 1 154 ? -24.744 1.830 3.675 1.00 28.29 ? 234 ASP A OD1 1 ATOM 1222 O OD2 . ASP A 1 154 ? -26.792 2.559 3.331 1.00 29.58 ? 234 ASP A OD2 1 ATOM 1223 N N . GLY A 1 155 ? -23.028 5.501 6.904 1.00 18.98 ? 235 GLY A N 1 ATOM 1224 C CA . GLY A 1 155 ? -22.373 6.725 7.325 1.00 17.01 ? 235 GLY A CA 1 ATOM 1225 C C . GLY A 1 155 ? -23.202 7.668 8.185 1.00 16.77 ? 235 GLY A C 1 ATOM 1226 O O . GLY A 1 155 ? -22.673 8.649 8.721 1.00 16.61 ? 235 GLY A O 1 ATOM 1227 N N . THR A 1 156 ? -24.500 7.388 8.305 1.00 20.09 ? 236 THR A N 1 ATOM 1228 C CA . THR A 1 156 ? -25.367 8.190 9.162 1.00 17.78 ? 236 THR A CA 1 ATOM 1229 C C . THR A 1 156 ? -25.675 7.461 10.452 1.00 16.97 ? 236 THR A C 1 ATOM 1230 O O . THR A 1 156 ? -26.246 6.371 10.438 1.00 17.55 ? 236 THR A O 1 ATOM 1231 C CB . THR A 1 156 ? -26.701 8.537 8.477 1.00 20.57 ? 236 THR A CB 1 ATOM 1232 O OG1 . THR A 1 156 ? -26.435 9.231 7.255 1.00 22.83 ? 236 THR A OG1 1 ATOM 1233 C CG2 . THR A 1 156 ? -27.545 9.426 9.387 1.00 18.24 ? 236 THR A CG2 1 ATOM 1234 N N . CYS A 1 157 ? -25.309 8.078 11.569 1.00 17.24 ? 237 CYS A N 1 ATOM 1235 C CA . CYS A 1 157 ? -25.535 7.483 12.875 1.00 15.78 ? 237 CYS A CA 1 ATOM 1236 C C . CYS A 1 157 ? -26.795 8.040 13.488 1.00 16.43 ? 237 CYS A C 1 ATOM 1237 O O . CYS A 1 157 ? -27.139 9.209 13.273 1.00 16.86 ? 237 CYS A O 1 ATOM 1238 C CB . CYS A 1 157 ? -24.352 7.767 13.793 1.00 15.91 ? 237 CYS A CB 1 ATOM 1239 S SG . CYS A 1 157 ? -22.761 7.146 13.130 1.00 15.89 ? 237 CYS A SG 1 ATOM 1240 N N . VAL A 1 158 ? -27.464 7.184 14.259 1.00 16.35 ? 238 VAL A N 1 ATOM 1241 C CA . VAL A 1 158 ? -28.743 7.462 14.879 1.00 18.17 ? 238 VAL A CA 1 ATOM 1242 C C . VAL A 1 158 ? -28.603 7.317 16.380 1.00 15.80 ? 238 VAL A C 1 ATOM 1243 O O . VAL A 1 158 ? -28.032 6.328 16.857 1.00 16.34 ? 238 VAL A O 1 ATOM 1244 C CB . VAL A 1 158 ? -29.765 6.426 14.377 1.00 24.81 ? 238 VAL A CB 1 ATOM 1245 C CG1 . VAL A 1 158 ? -31.066 6.505 15.153 1.00 28.88 ? 238 VAL A CG1 1 ATOM 1246 C CG2 . VAL A 1 158 ? -29.982 6.602 12.877 1.00 26.20 ? 238 VAL A CG2 1 ATOM 1247 N N . VAL A 1 159 ? -29.125 8.280 17.127 1.00 17.08 ? 239 VAL A N 1 ATOM 1248 C CA . VAL A 1 159 ? -29.029 8.250 18.586 1.00 15.56 ? 239 VAL A CA 1 ATOM 1249 C C . VAL A 1 159 ? -30.263 8.886 19.238 1.00 17.10 ? 239 VAL A C 1 ATOM 1250 O O . VAL A 1 159 ? -30.740 9.928 18.795 1.00 15.81 ? 239 VAL A O 1 ATOM 1251 C CB . VAL A 1 159 ? -27.729 8.925 19.079 1.00 16.42 ? 239 VAL A CB 1 ATOM 1252 C CG1 . VAL A 1 159 ? -27.714 10.417 18.718 1.00 15.22 ? 239 VAL A CG1 1 ATOM 1253 C CG2 . VAL A 1 159 ? -27.535 8.723 20.588 1.00 14.37 ? 239 VAL A CG2 1 ATOM 1254 N N . ALA A 1 160 ? -30.781 8.234 20.278 1.00 15.15 ? 240 ALA A N 1 ATOM 1255 C CA . ALA A 1 160 ? -31.977 8.693 20.988 1.00 16.20 ? 240 ALA A CA 1 ATOM 1256 C C . ALA A 1 160 ? -31.574 9.537 22.180 1.00 16.77 ? 240 ALA A C 1 ATOM 1257 O O . ALA A 1 160 ? -30.612 9.213 22.890 1.00 17.34 ? 240 ALA A O 1 ATOM 1258 C CB . ALA A 1 160 ? -32.810 7.492 21.459 1.00 15.23 ? 240 ALA A CB 1 ATOM 1259 N N . VAL A 1 161 ? -32.309 10.625 22.392 1.00 17.46 ? 241 VAL A N 1 ATOM 1260 C CA . VAL A 1 161 ? -31.970 11.623 23.391 1.00 16.53 ? 241 VAL A CA 1 ATOM 1261 C C . VAL A 1 161 ? -33.247 12.090 24.077 1.00 18.04 ? 241 VAL A C 1 ATOM 1262 O O . VAL A 1 161 ? -34.279 12.210 23.425 1.00 21.27 ? 241 VAL A O 1 ATOM 1263 C CB . VAL A 1 161 ? -31.285 12.834 22.719 1.00 19.94 ? 241 VAL A CB 1 ATOM 1264 C CG1 . VAL A 1 161 ? -31.281 14.046 23.634 1.00 24.83 ? 241 VAL A CG1 1 ATOM 1265 C CG2 . VAL A 1 161 ? -29.865 12.461 22.304 1.00 17.19 ? 241 VAL A CG2 1 ATOM 1266 N N . THR A 1 162 ? -33.167 12.333 25.383 1.00 16.58 ? 242 THR A N 1 ATOM 1267 C CA . THR A 1 162 ? -34.323 12.792 26.158 1.00 19.09 ? 242 THR A CA 1 ATOM 1268 C C . THR A 1 162 ? -33.975 14.034 26.976 1.00 20.90 ? 242 THR A C 1 ATOM 1269 O O . THR A 1 162 ? -32.864 14.171 27.484 1.00 18.42 ? 242 THR A O 1 ATOM 1270 C CB . THR A 1 162 ? -34.842 11.691 27.116 1.00 18.04 ? 242 THR A CB 1 ATOM 1271 O OG1 . THR A 1 162 ? -35.173 10.520 26.365 1.00 19.66 ? 242 THR A OG1 1 ATOM 1272 C CG2 . THR A 1 162 ? -36.093 12.174 27.889 1.00 20.18 ? 242 THR A CG2 1 ATOM 1273 N N . ASP A 1 163 ? -34.936 14.942 27.092 1.00 18.81 ? 243 ASP A N 1 ATOM 1274 C CA . ASP A 1 163 ? -34.783 16.110 27.931 1.00 20.47 ? 243 ASP A CA 1 ATOM 1275 C C . ASP A 1 163 ? -36.136 16.332 28.599 1.00 21.43 ? 243 ASP A C 1 ATOM 1276 O O . ASP A 1 163 ? -37.171 16.333 27.937 1.00 21.75 ? 243 ASP A O 1 ATOM 1277 C CB . ASP A 1 163 ? -34.370 17.324 27.080 1.00 20.97 ? 243 ASP A CB 1 ATOM 1278 C CG . ASP A 1 163 ? -33.781 18.455 27.903 1.00 22.13 ? 243 ASP A CG 1 ATOM 1279 O OD1 . ASP A 1 163 ? -33.851 18.421 29.153 1.00 21.98 ? 243 ASP A OD1 1 ATOM 1280 O OD2 . ASP A 1 163 ? -33.219 19.387 27.287 1.00 21.93 ? 243 ASP A OD2 1 ATOM 1281 N N . GLY A 1 164 ? -36.130 16.479 29.915 1.00 20.87 ? 244 GLY A N 1 ATOM 1282 C CA . GLY A 1 164 ? -37.378 16.660 30.632 1.00 25.08 ? 244 GLY A CA 1 ATOM 1283 C C . GLY A 1 164 ? -37.471 15.792 31.868 1.00 26.98 ? 244 GLY A C 1 ATOM 1284 O O . GLY A 1 164 ? -36.585 14.992 32.151 1.00 24.55 ? 244 GLY A O 1 ATOM 1285 N N . PRO A 1 165 ? -38.572 15.929 32.611 1.00 25.51 ? 245 PRO A N 1 ATOM 1286 C CA . PRO A 1 165 ? -38.688 15.228 33.892 1.00 23.55 ? 245 PRO A CA 1 ATOM 1287 C C . PRO A 1 165 ? -38.766 13.710 33.766 1.00 25.22 ? 245 PRO A C 1 ATOM 1288 O O . PRO A 1 165 ? -39.078 13.168 32.702 1.00 25.63 ? 245 PRO A O 1 ATOM 1289 C CB . PRO A 1 165 ? -40.014 15.767 34.461 1.00 27.61 ? 245 PRO A CB 1 ATOM 1290 C CG . PRO A 1 165 ? -40.765 16.241 33.271 1.00 27.96 ? 245 PRO A CG 1 ATOM 1291 C CD . PRO A 1 165 ? -39.733 16.793 32.340 1.00 27.75 ? 245 PRO A CD 1 ATOM 1292 N N . ALA A 1 166 ? -38.487 13.036 34.873 1.00 26.71 ? 246 ALA A N 1 ATOM 1293 C CA . ALA A 1 166 ? -38.791 11.616 35.007 1.00 27.94 ? 246 ALA A CA 1 ATOM 1294 C C . ALA A 1 166 ? -40.214 11.487 35.567 1.00 32.60 ? 246 ALA A C 1 ATOM 1295 O O . ALA A 1 166 ? -40.672 12.361 36.303 1.00 36.59 ? 246 ALA A O 1 ATOM 1296 C CB . ALA A 1 166 ? -37.792 10.953 35.930 1.00 31.51 ? 246 ALA A CB 1 ATOM 1297 N N . ALA A 1 167 ? -40.902 10.403 35.213 1.00 32.28 ? 247 ALA A N 1 ATOM 1298 C CA . ALA A 1 167 ? -42.257 10.123 35.704 1.00 33.21 ? 247 ALA A CA 1 ATOM 1299 C C . ALA A 1 167 ? -43.244 11.256 35.420 1.00 35.61 ? 247 ALA A C 1 ATOM 1300 O O . ALA A 1 167 ? -44.170 11.517 36.200 1.00 37.64 ? 247 ALA A O 1 ATOM 1301 C CB . ALA A 1 167 ? -42.236 9.774 37.179 1.00 31.88 ? 247 ALA A CB 1 ATOM 1302 N N . ASN A 1 168 ? -43.028 11.922 34.292 1.00 30.00 ? 248 ASN A N 1 ATOM 1303 C CA . ASN A 1 168 ? -43.971 12.885 33.750 1.00 33.66 ? 248 ASN A CA 1 ATOM 1304 C C . ASN A 1 168 ? -43.630 13.051 32.276 1.00 34.22 ? 248 ASN A C 1 ATOM 1305 O O . ASN A 1 168 ? -42.671 12.454 31.787 1.00 34.41 ? 248 ASN A O 1 ATOM 1306 C CB . ASN A 1 168 ? -43.869 14.216 34.489 1.00 31.73 ? 248 ASN A CB 1 ATOM 1307 C CG . ASN A 1 168 ? -45.215 14.908 34.636 1.00 39.87 ? 248 ASN A CG 1 ATOM 1308 O OD1 . ASN A 1 168 ? -46.135 14.696 33.838 1.00 40.48 ? 248 ASN A OD1 1 ATOM 1309 N ND2 . ASN A 1 168 ? -45.335 15.743 35.662 1.00 44.80 ? 248 ASN A ND2 1 ATOM 1310 N N . SER A 1 169 ? -44.406 13.851 31.567 1.00 30.67 ? 249 SER A N 1 ATOM 1311 C CA . SER A 1 169 ? -44.205 14.044 30.140 1.00 31.11 ? 249 SER A CA 1 ATOM 1312 C C . SER A 1 169 ? -42.875 14.760 29.889 1.00 31.69 ? 249 SER A C 1 ATOM 1313 O O . SER A 1 169 ? -42.599 15.809 30.483 1.00 31.94 ? 249 SER A O 1 ATOM 1314 C CB . SER A 1 169 ? -45.367 14.851 29.557 1.00 38.49 ? 249 SER A CB 1 ATOM 1315 O OG . SER A 1 169 ? -45.285 14.946 28.144 1.00 42.94 ? 249 SER A OG 1 ATOM 1316 N N . ALA A 1 170 ? -42.049 14.180 29.019 1.00 28.03 ? 250 ALA A N 1 ATOM 1317 C CA . ALA A 1 170 ? -40.771 14.788 28.653 1.00 25.70 ? 250 ALA A CA 1 ATOM 1318 C C . ALA A 1 170 ? -40.641 14.838 27.134 1.00 25.14 ? 250 ALA A C 1 ATOM 1319 O O . ALA A 1 170 ? -41.537 14.406 26.421 1.00 25.50 ? 250 ALA A O 1 ATOM 1320 C CB . ALA A 1 170 ? -39.622 13.992 29.267 1.00 24.88 ? 250 ALA A CB 1 ATOM 1321 N N . ASP A 1 171 ? -39.525 15.365 26.633 1.00 23.45 ? 251 ASP A N 1 ATOM 1322 C CA . ASP A 1 171 ? -39.289 15.361 25.198 1.00 21.58 ? 251 ASP A CA 1 ATOM 1323 C C . ASP A 1 171 ? -38.324 14.234 24.833 1.00 22.02 ? 251 ASP A C 1 ATOM 1324 O O . ASP A 1 171 ? -37.301 14.045 25.491 1.00 23.01 ? 251 ASP A O 1 ATOM 1325 C CB . ASP A 1 171 ? -38.692 16.686 24.742 1.00 20.39 ? 251 ASP A CB 1 ATOM 1326 C CG . ASP A 1 171 ? -39.685 17.837 24.797 1.00 28.10 ? 251 ASP A CG 1 ATOM 1327 O OD1 . ASP A 1 171 ? -39.347 18.909 24.250 1.00 26.25 ? 251 ASP A OD1 1 ATOM 1328 O OD2 . ASP A 1 171 ? -40.791 17.677 25.369 1.00 29.28 ? 251 ASP A OD2 1 ATOM 1329 N N . TYR A 1 172 ? -38.658 13.503 23.778 1.00 21.02 ? 252 TYR A N 1 ATOM 1330 C CA . TYR A 1 172 ? -37.828 12.406 23.286 1.00 20.33 ? 252 TYR A CA 1 ATOM 1331 C C . TYR A 1 172 ? -37.517 12.677 21.818 1.00 23.09 ? 252 TYR A C 1 ATOM 1332 O O . TYR A 1 172 ? -38.414 12.988 21.034 1.00 22.94 ? 252 TYR A O 1 ATOM 1333 C CB . TYR A 1 172 ? -38.567 11.061 23.450 1.00 23.28 ? 252 TYR A CB 1 ATOM 1334 C CG . TYR A 1 172 ? -39.532 11.072 24.616 1.00 22.21 ? 252 TYR A CG 1 ATOM 1335 C CD1 . TYR A 1 172 ? -39.059 11.146 25.919 1.00 24.28 ? 252 TYR A CD1 1 ATOM 1336 C CD2 . TYR A 1 172 ? -40.908 11.045 24.418 1.00 27.92 ? 252 TYR A CD2 1 ATOM 1337 C CE1 . TYR A 1 172 ? -39.917 11.182 26.992 1.00 24.72 ? 252 TYR A CE1 1 ATOM 1338 C CE2 . TYR A 1 172 ? -41.781 11.077 25.492 1.00 25.95 ? 252 TYR A CE2 1 ATOM 1339 C CZ . TYR A 1 172 ? -41.276 11.150 26.778 1.00 27.46 ? 252 TYR A CZ 1 ATOM 1340 O OH . TYR A 1 172 ? -42.117 11.195 27.865 1.00 28.77 ? 252 TYR A OH 1 ATOM 1341 N N . ARG A 1 173 ? -36.246 12.575 21.441 1.00 18.71 ? 253 ARG A N 1 ATOM 1342 C CA . ARG A 1 173 ? -35.863 12.825 20.062 1.00 18.39 ? 253 ARG A CA 1 ATOM 1343 C C . ARG A 1 173 ? -34.917 11.770 19.551 1.00 18.12 ? 253 ARG A C 1 ATOM 1344 O O . ARG A 1 173 ? -34.224 11.127 20.327 1.00 19.89 ? 253 ARG A O 1 ATOM 1345 C CB . ARG A 1 173 ? -35.170 14.182 19.940 1.00 19.97 ? 253 ARG A CB 1 ATOM 1346 C CG . ARG A 1 173 ? -36.059 15.363 20.285 1.00 21.19 ? 253 ARG A CG 1 ATOM 1347 C CD . ARG A 1 173 ? -35.332 16.675 20.043 1.00 20.95 ? 253 ARG A CD 1 ATOM 1348 N NE . ARG A 1 173 ? -36.210 17.824 20.243 1.00 22.23 ? 253 ARG A NE 1 ATOM 1349 C CZ . ARG A 1 173 ? -35.792 19.086 20.315 1.00 26.72 ? 253 ARG A CZ 1 ATOM 1350 N NH1 . ARG A 1 173 ? -34.503 19.375 20.200 1.00 23.99 ? 253 ARG A NH1 1 ATOM 1351 N NH2 . ARG A 1 173 ? -36.669 20.064 20.502 1.00 27.94 ? 253 ARG A NH2 1 ATOM 1352 N N . VAL A 1 174 ? -34.897 11.607 18.236 1.00 17.87 ? 254 VAL A N 1 ATOM 1353 C CA . VAL A 1 174 ? -33.803 10.923 17.573 1.00 17.10 ? 254 VAL A CA 1 ATOM 1354 C C . VAL A 1 174 ? -32.989 11.942 16.783 1.00 20.15 ? 254 VAL A C 1 ATOM 1355 O O . VAL A 1 174 ? -33.549 12.836 16.141 1.00 19.23 ? 254 VAL A O 1 ATOM 1356 C CB . VAL A 1 174 ? -34.310 9.822 16.640 1.00 18.91 ? 254 VAL A CB 1 ATOM 1357 C CG1 . VAL A 1 174 ? -33.156 9.232 15.829 1.00 15.89 ? 254 VAL A CG1 1 ATOM 1358 C CG2 . VAL A 1 174 ? -35.006 8.735 17.460 1.00 18.34 ? 254 VAL A CG2 1 ATOM 1359 N N . TYR A 1 175 ? -31.665 11.817 16.853 1.00 17.27 ? 255 TYR A N 1 ATOM 1360 C CA . TYR A 1 175 ? -30.773 12.681 16.094 1.00 19.05 ? 255 TYR A CA 1 ATOM 1361 C C . TYR A 1 175 ? -30.052 11.842 15.055 1.00 18.91 ? 255 TYR A C 1 ATOM 1362 O O . TYR A 1 175 ? -29.648 10.706 15.329 1.00 17.59 ? 255 TYR A O 1 ATOM 1363 C CB . TYR A 1 175 ? -29.758 13.363 17.011 1.00 19.61 ? 255 TYR A CB 1 ATOM 1364 C CG . TYR A 1 175 ? -30.289 14.600 17.695 1.00 18.71 ? 255 TYR A CG 1 ATOM 1365 C CD1 . TYR A 1 175 ? -29.952 15.875 17.238 1.00 20.78 ? 255 TYR A CD1 1 ATOM 1366 C CD2 . TYR A 1 175 ? -31.133 14.498 18.791 1.00 19.83 ? 255 TYR A CD2 1 ATOM 1367 C CE1 . TYR A 1 175 ? -30.437 17.019 17.862 1.00 18.25 ? 255 TYR A CE1 1 ATOM 1368 C CE2 . TYR A 1 175 ? -31.637 15.640 19.415 1.00 19.65 ? 255 TYR A CE2 1 ATOM 1369 C CZ . TYR A 1 175 ? -31.283 16.887 18.951 1.00 22.14 ? 255 TYR A CZ 1 ATOM 1370 O OH . TYR A 1 175 ? -31.780 18.003 19.577 1.00 20.33 ? 255 TYR A OH 1 ATOM 1371 N N . TRP A 1 176 ? -29.926 12.397 13.857 1.00 15.77 ? 256 TRP A N 1 ATOM 1372 C CA . TRP A 1 176 ? -29.168 11.790 12.783 1.00 16.28 ? 256 TRP A CA 1 ATOM 1373 C C . TRP A 1 176 ? -27.884 12.593 12.632 1.00 16.69 ? 256 TRP A C 1 ATOM 1374 O O . TRP A 1 176 ? -27.912 13.815 12.472 1.00 17.88 ? 256 TRP A O 1 ATOM 1375 C CB . TRP A 1 176 ? -29.966 11.798 11.474 1.00 16.35 ? 256 TRP A CB 1 ATOM 1376 C CG . TRP A 1 176 ? -31.069 10.778 11.432 1.00 16.49 ? 256 TRP A CG 1 ATOM 1377 C CD1 . TRP A 1 176 ? -31.032 9.554 10.817 1.00 18.13 ? 256 TRP A CD1 1 ATOM 1378 C CD2 . TRP A 1 176 ? -32.370 10.886 12.028 1.00 17.37 ? 256 TRP A CD2 1 ATOM 1379 N NE1 . TRP A 1 176 ? -32.231 8.902 10.990 1.00 17.92 ? 256 TRP A NE1 1 ATOM 1380 C CE2 . TRP A 1 176 ? -33.065 9.691 11.736 1.00 19.87 ? 256 TRP A CE2 1 ATOM 1381 C CE3 . TRP A 1 176 ? -33.013 11.873 12.783 1.00 19.34 ? 256 TRP A CE3 1 ATOM 1382 C CZ2 . TRP A 1 176 ? -34.370 9.459 12.174 1.00 18.85 ? 256 TRP A CZ2 1 ATOM 1383 C CZ3 . TRP A 1 176 ? -34.301 11.641 13.218 1.00 17.83 ? 256 TRP A CZ3 1 ATOM 1384 C CH2 . TRP A 1 176 ? -34.972 10.451 12.905 1.00 18.68 ? 256 TRP A CH2 1 ATOM 1385 N N . ILE A 1 177 ? -26.753 11.911 12.711 1.00 15.05 ? 257 ILE A N 1 ATOM 1386 C CA . ILE A 1 177 ? -25.472 12.588 12.716 1.00 15.43 ? 257 ILE A CA 1 ATOM 1387 C C . ILE A 1 177 ? -24.546 11.914 11.718 1.00 16.87 ? 257 ILE A C 1 ATOM 1388 O O . ILE A 1 177 ? -24.402 10.691 11.723 1.00 17.26 ? 257 ILE A O 1 ATOM 1389 C CB . ILE A 1 177 ? -24.848 12.573 14.130 1.00 14.76 ? 257 ILE A CB 1 ATOM 1390 C CG1 . ILE A 1 177 ? -25.860 13.093 15.157 1.00 16.05 ? 257 ILE A CG1 1 ATOM 1391 C CG2 . ILE A 1 177 ? -23.541 13.372 14.150 1.00 16.40 ? 257 ILE A CG2 1 ATOM 1392 C CD1 . ILE A 1 177 ? -25.411 13.022 16.601 1.00 14.38 ? 257 ILE A CD1 1 ATOM 1393 N N . ARG A 1 178 ? -23.932 12.716 10.860 1.00 16.54 ? 258 ARG A N 1 ATOM 1394 C CA . ARG A 1 178 ? -23.071 12.200 9.812 1.00 18.26 ? 258 ARG A CA 1 ATOM 1395 C C . ARG A 1 178 ? -21.698 12.836 9.941 1.00 16.96 ? 258 ARG A C 1 ATOM 1396 O O . ARG A 1 178 ? -21.567 14.068 9.934 1.00 18.20 ? 258 ARG A O 1 ATOM 1397 C CB . ARG A 1 178 ? -23.691 12.483 8.444 1.00 21.21 ? 258 ARG A CB 1 ATOM 1398 C CG . ARG A 1 178 ? -22.934 11.858 7.296 1.00 22.07 ? 258 ARG A CG 1 ATOM 1399 C CD . ARG A 1 178 ? -23.728 11.903 6.002 1.00 20.36 ? 258 ARG A CD 1 ATOM 1400 N NE . ARG A 1 178 ? -23.005 11.213 4.940 1.00 22.70 ? 258 ARG A NE 1 ATOM 1401 C CZ . ARG A 1 178 ? -23.135 9.922 4.658 1.00 21.26 ? 258 ARG A CZ 1 ATOM 1402 N NH1 . ARG A 1 178 ? -23.992 9.163 5.334 1.00 22.49 ? 258 ARG A NH1 1 ATOM 1403 N NH2 . ARG A 1 178 ? -22.425 9.392 3.677 1.00 28.02 ? 258 ARG A NH2 1 ATOM 1404 N N . GLU A 1 179 ? -20.676 11.993 10.089 1.00 16.25 ? 259 GLU A N 1 ATOM 1405 C CA . GLU A 1 179 ? -19.307 12.470 10.255 1.00 16.09 ? 259 GLU A CA 1 ATOM 1406 C C . GLU A 1 179 ? -19.248 13.534 11.346 1.00 17.52 ? 259 GLU A C 1 ATOM 1407 O O . GLU A 1 179 ? -18.500 14.509 11.252 1.00 19.45 ? 259 GLU A O 1 ATOM 1408 C CB . GLU A 1 179 ? -18.745 12.976 8.925 1.00 18.24 ? 259 GLU A CB 1 ATOM 1409 C CG . GLU A 1 179 ? -18.648 11.868 7.882 1.00 23.48 ? 259 GLU A CG 1 ATOM 1410 C CD . GLU A 1 179 ? -18.239 12.361 6.498 1.00 35.23 ? 259 GLU A CD 1 ATOM 1411 O OE1 . GLU A 1 179 ? -17.506 13.361 6.406 1.00 31.24 ? 259 GLU A OE1 1 ATOM 1412 O OE2 . GLU A 1 179 ? -18.654 11.740 5.495 1.00 41.15 ? 259 GLU A OE2 1 ATOM 1413 N N . GLY A 1 180 ? -20.056 13.337 12.384 1.00 15.11 ? 260 GLY A N 1 ATOM 1414 C CA . GLY A 1 180 ? -20.018 14.202 13.548 1.00 13.49 ? 260 GLY A CA 1 ATOM 1415 C C . GLY A 1 180 ? -20.885 15.445 13.428 1.00 16.73 ? 260 GLY A C 1 ATOM 1416 O O . GLY A 1 180 ? -20.989 16.223 14.380 1.00 15.27 ? 260 GLY A O 1 ATOM 1417 N N . LYS A 1 181 ? -21.520 15.631 12.273 1.00 15.11 ? 261 LYS A N 1 ATOM 1418 C CA . LYS A 1 181 ? -22.385 16.798 12.079 1.00 17.83 ? 261 LYS A CA 1 ATOM 1419 C C . LYS A 1 181 ? -23.857 16.425 12.140 1.00 15.71 ? 261 LYS A C 1 ATOM 1420 O O . LYS A 1 181 ? -24.312 15.529 11.429 1.00 16.74 ? 261 LYS A O 1 ATOM 1421 C CB . LYS A 1 181 ? -22.066 17.495 10.757 1.00 21.73 ? 261 LYS A CB 1 ATOM 1422 C CG . LYS A 1 181 ? -20.639 18.028 10.681 1.00 25.46 ? 261 LYS A CG 1 ATOM 1423 C CD . LYS A 1 181 ? -20.305 18.920 11.890 1.00 26.12 ? 261 LYS A CD 1 ATOM 1424 C CE . LYS A 1 181 ? -18.912 19.517 11.797 1.00 28.90 ? 261 LYS A CE 1 ATOM 1425 N NZ . LYS A 1 181 ? -18.908 20.827 11.075 1.00 44.97 ? 261 LYS A NZ 1 ATOM 1426 N N . ILE A 1 182 ? -24.594 17.122 12.997 1.00 17.06 ? 262 ILE A N 1 ATOM 1427 C CA . ILE A 1 182 ? -26.022 16.882 13.140 1.00 19.40 ? 262 ILE A CA 1 ATOM 1428 C C . ILE A 1 182 ? -26.735 17.277 11.857 1.00 18.69 ? 262 ILE A C 1 ATOM 1429 O O . ILE A 1 182 ? -26.632 18.416 11.412 1.00 19.90 ? 262 ILE A O 1 ATOM 1430 C CB . ILE A 1 182 ? -26.595 17.665 14.342 1.00 18.48 ? 262 ILE A CB 1 ATOM 1431 C CG1 . ILE A 1 182 ? -26.001 17.122 15.652 1.00 17.92 ? 262 ILE A CG1 1 ATOM 1432 C CG2 . ILE A 1 182 ? -28.127 17.616 14.352 1.00 19.50 ? 262 ILE A CG2 1 ATOM 1433 C CD1 . ILE A 1 182 ? -26.154 18.060 16.835 1.00 19.94 ? 262 ILE A CD1 1 ATOM 1434 N N . ILE A 1 183 ? -27.420 16.312 11.256 1.00 17.90 ? 263 ILE A N 1 ATOM 1435 C CA . ILE A 1 183 ? -28.142 16.517 10.004 1.00 18.95 ? 263 ILE A CA 1 ATOM 1436 C C . ILE A 1 183 ? -29.567 16.987 10.304 1.00 20.37 ? 263 ILE A C 1 ATOM 1437 O O . ILE A 1 183 ? -30.047 17.973 9.726 1.00 21.67 ? 263 ILE A O 1 ATOM 1438 C CB . ILE A 1 183 ? -28.163 15.218 9.169 1.00 20.86 ? 263 ILE A CB 1 ATOM 1439 C CG1 . ILE A 1 183 ? -26.734 14.766 8.854 1.00 20.42 ? 263 ILE A CG1 1 ATOM 1440 C CG2 . ILE A 1 183 ? -28.982 15.399 7.889 1.00 22.44 ? 263 ILE A CG2 1 ATOM 1441 C CD1 . ILE A 1 183 ? -25.915 15.804 8.127 1.00 22.42 ? 263 ILE A CD1 1 ATOM 1442 N N . LYS A 1 184 ? -30.226 16.304 11.236 1.00 19.41 ? 264 LYS A N 1 ATOM 1443 C CA . LYS A 1 184 ? -31.607 16.613 11.597 1.00 21.58 ? 264 LYS A CA 1 ATOM 1444 C C . LYS A 1 184 ? -31.971 15.903 12.895 1.00 22.61 ? 264 LYS A C 1 ATOM 1445 O O . LYS A 1 184 ? -31.245 15.016 13.363 1.00 18.51 ? 264 LYS A O 1 ATOM 1446 C CB . LYS A 1 184 ? -32.559 16.149 10.491 1.00 22.50 ? 264 LYS A CB 1 ATOM 1447 C CG . LYS A 1 184 ? -32.421 14.659 10.163 1.00 24.90 ? 264 LYS A CG 1 ATOM 1448 C CD . LYS A 1 184 ? -33.529 14.142 9.245 1.00 25.89 ? 264 LYS A CD 1 ATOM 1449 C CE . LYS A 1 184 ? -34.799 13.829 10.018 1.00 26.71 ? 264 LYS A CE 1 ATOM 1450 N NZ . LYS A 1 184 ? -35.890 13.297 9.136 1.00 27.37 ? 264 LYS A NZ 1 ATOM 1451 N N . TYR A 1 185 ? -33.100 16.283 13.476 1.00 21.42 ? 265 TYR A N 1 ATOM 1452 C CA . TYR A 1 185 ? -33.681 15.483 14.544 1.00 17.72 ? 265 TYR A CA 1 ATOM 1453 C C . TYR A 1 185 ? -35.174 15.335 14.311 1.00 22.18 ? 265 TYR A C 1 ATOM 1454 O O . TYR A 1 185 ? -35.755 16.061 13.501 1.00 23.28 ? 265 TYR A O 1 ATOM 1455 C CB . TYR A 1 185 ? -33.418 16.106 15.918 1.00 19.43 ? 265 TYR A CB 1 ATOM 1456 C CG . TYR A 1 185 ? -34.149 17.412 16.175 1.00 20.11 ? 265 TYR A CG 1 ATOM 1457 C CD1 . TYR A 1 185 ? -35.459 17.413 16.632 1.00 24.03 ? 265 TYR A CD1 1 ATOM 1458 C CD2 . TYR A 1 185 ? -33.523 18.636 15.979 1.00 23.67 ? 265 TYR A CD2 1 ATOM 1459 C CE1 . TYR A 1 185 ? -36.137 18.605 16.885 1.00 24.24 ? 265 TYR A CE1 1 ATOM 1460 C CE2 . TYR A 1 185 ? -34.200 19.840 16.221 1.00 23.52 ? 265 TYR A CE2 1 ATOM 1461 C CZ . TYR A 1 185 ? -35.510 19.807 16.677 1.00 30.05 ? 265 TYR A CZ 1 ATOM 1462 O OH . TYR A 1 185 ? -36.209 20.973 16.926 1.00 28.90 ? 265 TYR A OH 1 ATOM 1463 N N . GLU A 1 186 ? -35.778 14.378 15.013 1.00 20.04 ? 266 GLU A N 1 ATOM 1464 C CA . GLU A 1 186 ? -37.232 14.216 15.025 1.00 21.04 ? 266 GLU A CA 1 ATOM 1465 C C . GLU A 1 186 ? -37.714 14.049 16.459 1.00 24.60 ? 266 GLU A C 1 ATOM 1466 O O . GLU A 1 186 ? -37.105 13.332 17.253 1.00 22.44 ? 266 GLU A O 1 ATOM 1467 C CB . GLU A 1 186 ? -37.687 13.012 14.189 1.00 20.19 ? 266 GLU A CB 1 ATOM 1468 C CG . GLU A 1 186 ? -37.546 13.178 12.676 1.00 25.04 ? 266 GLU A CG 1 ATOM 1469 C CD . GLU A 1 186 ? -38.075 11.990 11.878 1.00 21.00 ? 266 GLU A CD 1 ATOM 1470 O OE1 . GLU A 1 186 ? -37.930 11.999 10.634 1.00 27.26 ? 266 GLU A OE1 1 ATOM 1471 O OE2 . GLU A 1 186 ? -38.627 11.042 12.476 1.00 23.89 ? 266 GLU A OE2 1 ATOM 1472 N N . ASN A 1 187 ? -38.806 14.722 16.798 1.00 21.50 ? 267 ASN A N 1 ATOM 1473 C CA . ASN A 1 187 ? -39.504 14.427 18.034 1.00 23.41 ? 267 ASN A CA 1 ATOM 1474 C C . ASN A 1 187 ? -40.220 13.097 17.879 1.00 24.30 ? 267 ASN A C 1 ATOM 1475 O O . ASN A 1 187 ? -40.974 12.893 16.924 1.00 25.42 ? 267 ASN A O 1 ATOM 1476 C CB . ASN A 1 187 ? -40.504 15.538 18.364 1.00 23.57 ? 267 ASN A CB 1 ATOM 1477 C CG . ASN A 1 187 ? -39.820 16.860 18.617 1.00 27.57 ? 267 ASN A CG 1 ATOM 1478 O OD1 . ASN A 1 187 ? -40.080 17.861 17.934 1.00 32.08 ? 267 ASN A OD1 1 ATOM 1479 N ND2 . ASN A 1 187 ? -38.919 16.872 19.593 1.00 22.78 ? 267 ASN A ND2 1 ATOM 1480 N N . VAL A 1 188 ? -39.967 12.178 18.799 1.00 22.82 ? 268 VAL A N 1 ATOM 1481 C CA . VAL A 1 188 ? -40.609 10.877 18.721 1.00 24.77 ? 268 VAL A CA 1 ATOM 1482 C C . VAL A 1 188 ? -42.124 11.051 18.831 1.00 24.65 ? 268 VAL A C 1 ATOM 1483 O O . VAL A 1 188 ? -42.599 11.739 19.733 1.00 25.03 ? 268 VAL A O 1 ATOM 1484 C CB . VAL A 1 188 ? -40.125 9.942 19.832 1.00 22.16 ? 268 VAL A CB 1 ATOM 1485 C CG1 . VAL A 1 188 ? -40.793 8.583 19.707 1.00 22.95 ? 268 VAL A CG1 1 ATOM 1486 C CG2 . VAL A 1 188 ? -38.603 9.790 19.771 1.00 20.08 ? 268 VAL A CG2 1 ATOM 1487 N N . PRO A 1 189 ? -42.873 10.447 17.896 1.00 25.20 ? 269 PRO A N 1 ATOM 1488 C CA . PRO A 1 189 ? -44.343 10.473 17.951 1.00 27.51 ? 269 PRO A CA 1 ATOM 1489 C C . PRO A 1 189 ? -44.856 9.975 19.299 1.00 31.65 ? 269 PRO A C 1 ATOM 1490 O O . PRO A 1 189 ? -44.287 9.040 19.872 1.00 28.71 ? 269 PRO A O 1 ATOM 1491 C CB . PRO A 1 189 ? -44.746 9.490 16.851 1.00 34.63 ? 269 PRO A CB 1 ATOM 1492 C CG . PRO A 1 189 ? -43.629 9.527 15.881 1.00 35.00 ? 269 PRO A CG 1 ATOM 1493 C CD . PRO A 1 189 ? -42.377 9.744 16.700 1.00 27.60 ? 269 PRO A CD 1 ATOM 1494 N N . LYS A 1 190 ? -45.925 10.584 19.801 1.00 34.07 ? 270 LYS A N 1 ATOM 1495 C CA . LYS A 1 190 ? -46.468 10.176 21.091 1.00 32.65 ? 270 LYS A CA 1 ATOM 1496 C C . LYS A 1 190 ? -47.814 9.476 20.951 1.00 31.97 ? 270 LYS A C 1 ATOM 1497 O O . LYS A 1 190 ? -48.556 9.359 21.921 1.00 35.37 ? 270 LYS A O 1 ATOM 1498 C CB . LYS A 1 190 ? -46.567 11.364 22.044 1.00 34.18 ? 270 LYS A CB 1 ATOM 1499 C CG . LYS A 1 190 ? -45.214 11.902 22.490 1.00 34.24 ? 270 LYS A CG 1 ATOM 1500 C CD . LYS A 1 190 ? -45.368 12.991 23.546 1.00 38.89 ? 270 LYS A CD 1 ATOM 1501 C CE . LYS A 1 190 ? -44.047 13.258 24.256 1.00 39.92 ? 270 LYS A CE 1 ATOM 1502 N NZ . LYS A 1 190 ? -44.237 13.928 25.577 1.00 37.73 ? 270 LYS A NZ 1 ATOM 1503 N N . THR A 1 191 ? -48.109 9.013 19.740 1.00 28.97 ? 271 THR A N 1 ATOM 1504 C CA . THR A 1 191 ? -49.323 8.248 19.464 1.00 32.76 ? 271 THR A CA 1 ATOM 1505 C C . THR A 1 191 ? -49.357 6.938 20.249 1.00 34.30 ? 271 THR A C 1 ATOM 1506 O O . THR A 1 191 ? -50.430 6.449 20.617 1.00 33.36 ? 271 THR A O 1 ATOM 1507 C CB . THR A 1 191 ? -49.454 7.919 17.961 1.00 36.67 ? 271 THR A CB 1 ATOM 1508 O OG1 . THR A 1 191 ? -48.208 7.410 17.474 1.00 39.27 ? 271 THR A OG1 1 ATOM 1509 C CG2 . THR A 1 191 ? -49.822 9.158 17.168 1.00 37.20 ? 271 THR A CG2 1 ATOM 1510 N N . LYS A 1 192 A -48.181 6.364 20.500 1.00 30.98 ? 272 LYS A N 1 ATOM 1511 C CA . LYS A 1 192 A -48.103 5.132 21.280 1.00 30.26 ? 272 LYS A CA 1 ATOM 1512 C C . LYS A 1 192 A -47.188 5.301 22.476 1.00 29.46 ? 272 LYS A C 1 ATOM 1513 O O . LYS A 1 192 A -47.595 5.101 23.620 1.00 28.13 ? 272 LYS A O 1 ATOM 1514 C CB . LYS A 1 192 A -47.633 3.973 20.406 1.00 31.74 ? 272 LYS A CB 1 ATOM 1515 C CG . LYS A 1 192 A -48.627 3.608 19.326 1.00 33.32 ? 272 LYS A CG 1 ATOM 1516 C CD . LYS A 1 192 A -48.048 2.610 18.347 1.00 36.44 ? 272 LYS A CD 1 ATOM 1517 C CE . LYS A 1 192 A -49.029 2.325 17.220 1.00 42.29 ? 272 LYS A CE 1 ATOM 1518 N NZ . LYS A 1 192 A -48.309 1.981 15.960 1.00 43.68 ? 272 LYS A NZ 1 ATOM 1519 N N . ILE A 1 193 ? -45.944 5.681 22.206 1.00 29.92 ? 272 ILE A N 1 ATOM 1520 C CA . ILE A 1 193 ? -44.978 5.894 23.268 1.00 25.74 ? 272 ILE A CA 1 ATOM 1521 C C . ILE A 1 193 ? -45.315 7.091 24.133 1.00 28.06 ? 272 ILE A C 1 ATOM 1522 O O . ILE A 1 193 ? -45.529 8.193 23.629 1.00 29.61 ? 272 ILE A O 1 ATOM 1523 C CB . ILE A 1 193 ? -43.548 6.083 22.698 1.00 24.46 ? 272 ILE A CB 1 ATOM 1524 C CG1 . ILE A 1 193 ? -43.085 4.796 22.000 1.00 26.70 ? 272 ILE A CG1 1 ATOM 1525 C CG2 . ILE A 1 193 ? -42.596 6.513 23.807 1.00 24.57 ? 272 ILE A CG2 1 ATOM 1526 C CD1 . ILE A 1 193 ? -41.833 4.974 21.150 1.00 22.14 ? 272 ILE A CD1 1 ATOM 1527 N N . GLN A 1 194 ? -45.329 6.877 25.442 1.00 22.63 ? 273 GLN A N 1 ATOM 1528 C CA . GLN A 1 194 ? -45.607 7.954 26.380 1.00 27.27 ? 273 GLN A CA 1 ATOM 1529 C C . GLN A 1 194 ? -44.353 8.396 27.124 1.00 23.17 ? 273 GLN A C 1 ATOM 1530 O O . GLN A 1 194 ? -44.300 9.501 27.657 1.00 27.28 ? 273 GLN A O 1 ATOM 1531 C CB . GLN A 1 194 ? -46.695 7.531 27.359 1.00 31.18 ? 273 GLN A CB 1 ATOM 1532 C CG . GLN A 1 194 ? -48.064 7.385 26.704 1.00 38.20 ? 273 GLN A CG 1 ATOM 1533 C CD . GLN A 1 194 ? -48.665 8.724 26.298 1.00 40.61 ? 273 GLN A CD 1 ATOM 1534 O OE1 . GLN A 1 194 ? -49.076 9.513 27.150 1.00 45.75 ? 273 GLN A OE1 1 ATOM 1535 N NE2 . GLN A 1 194 ? -48.716 8.986 24.991 1.00 37.32 ? 273 GLN A NE2 1 ATOM 1536 N N . TYR A 1 195 ? -43.343 7.526 27.162 1.00 23.92 ? 274 TYR A N 1 ATOM 1537 C CA . TYR A 1 195 ? -42.061 7.896 27.758 1.00 22.67 ? 274 TYR A CA 1 ATOM 1538 C C . TYR A 1 195 ? -40.951 7.027 27.197 1.00 20.96 ? 274 TYR A C 1 ATOM 1539 O O . TYR A 1 195 ? -41.122 5.816 27.043 1.00 22.02 ? 274 TYR A O 1 ATOM 1540 C CB . TYR A 1 195 ? -42.102 7.769 29.280 1.00 23.79 ? 274 TYR A CB 1 ATOM 1541 C CG . TYR A 1 195 ? -41.008 8.545 29.990 1.00 23.80 ? 274 TYR A CG 1 ATOM 1542 C CD1 . TYR A 1 195 ? -41.289 9.753 30.609 1.00 25.68 ? 274 TYR A CD1 1 ATOM 1543 C CD2 . TYR A 1 195 ? -39.692 8.076 30.030 1.00 25.51 ? 274 TYR A CD2 1 ATOM 1544 C CE1 . TYR A 1 195 ? -40.314 10.474 31.256 1.00 26.89 ? 274 TYR A CE1 1 ATOM 1545 C CE2 . TYR A 1 195 ? -38.700 8.805 30.681 1.00 22.72 ? 274 TYR A CE2 1 ATOM 1546 C CZ . TYR A 1 195 ? -39.027 10.002 31.287 1.00 24.98 ? 274 TYR A CZ 1 ATOM 1547 O OH . TYR A 1 195 ? -38.075 10.745 31.944 1.00 27.83 ? 274 TYR A OH 1 ATOM 1548 N N . LEU A 1 196 ? -39.802 7.644 26.920 1.00 23.14 ? 275 LEU A N 1 ATOM 1549 C CA . LEU A 1 196 ? -38.664 6.907 26.366 1.00 21.94 ? 275 LEU A CA 1 ATOM 1550 C C . LEU A 1 196 ? -37.357 7.504 26.864 1.00 20.52 ? 275 LEU A C 1 ATOM 1551 O O . LEU A 1 196 ? -37.195 8.722 26.912 1.00 22.58 ? 275 LEU A O 1 ATOM 1552 C CB . LEU A 1 196 ? -38.739 6.934 24.840 1.00 24.39 ? 275 LEU A CB 1 ATOM 1553 C CG . LEU A 1 196 ? -37.628 6.427 23.939 1.00 28.03 ? 275 LEU A CG 1 ATOM 1554 C CD1 . LEU A 1 196 ? -38.229 5.847 22.667 1.00 27.36 ? 275 LEU A CD1 1 ATOM 1555 C CD2 . LEU A 1 196 ? -36.648 7.556 23.621 1.00 20.47 ? 275 LEU A CD2 1 ATOM 1556 N N . GLU A 1 197 ? -36.477 6.642 27.288 1.00 17.88 ? 276 GLU A N 1 ATOM 1557 C CA . GLU A 1 197 ? -35.127 7.039 27.625 1.00 17.83 ? 276 GLU A CA 1 ATOM 1558 C C . GLU A 1 197 ? -34.203 5.832 27.570 1.00 15.88 ? 276 GLU A C 1 ATOM 1559 O O . GLU A 1 197 ? -34.636 4.765 27.379 1.00 15.06 ? 276 GLU A O 1 ATOM 1560 C CB . GLU A 1 197 ? -35.066 7.794 28.933 1.00 22.42 ? 276 GLU A CB 1 ATOM 1561 C CG . GLU A 1 197 ? -35.101 6.969 30.066 1.00 26.23 ? 276 GLU A CG 1 ATOM 1562 C CD . GLU A 1 197 ? -35.116 7.665 31.471 1.00 21.57 ? 276 GLU A CD 1 ATOM 1563 O OE1 . GLU A 1 197 ? -35.310 6.911 32.336 1.00 20.37 ? 276 GLU A OE1 1 ATOM 1564 O OE2 . GLU A 1 197 ? -34.976 8.859 31.744 1.00 23.69 ? 276 GLU A OE2 1 ATOM 1565 N N . GLU A 1 198 ? -32.912 6.071 27.703 1.00 15.00 ? 277 GLU A N 1 ATOM 1566 C CA . GLU A 1 198 ? -31.929 4.974 27.741 1.00 16.80 ? 277 GLU A CA 1 ATOM 1567 C C . GLU A 1 198 ? -32.139 3.858 26.716 1.00 15.02 ? 277 GLU A C 1 ATOM 1568 O O . GLU A 1 198 ? -32.166 2.667 27.063 1.00 15.70 ? 277 GLU A O 1 ATOM 1569 C CB . GLU A 1 198 ? -31.837 4.400 29.162 1.00 16.04 ? 277 GLU A CB 1 ATOM 1570 C CG . GLU A 1 198 ? -31.223 5.395 30.150 1.00 15.93 ? 277 GLU A CG 1 ATOM 1571 C CD . GLU A 1 198 ? -31.184 4.890 31.572 1.00 18.51 ? 277 GLU A CD 1 ATOM 1572 O OE1 . GLU A 1 198 ? -31.885 3.897 31.877 1.00 22.12 ? 277 GLU A OE1 1 ATOM 1573 O OE2 . GLU A 1 198 ? -30.459 5.492 32.390 1.00 17.28 ? 277 GLU A OE2 1 ATOM 1574 N N . CYS A 1 199 ? -32.262 4.230 25.445 1.00 14.45 ? 278 CYS A N 1 ATOM 1575 C CA . CYS A 1 199 ? -32.529 3.232 24.424 1.00 15.58 ? 278 CYS A CA 1 ATOM 1576 C C . CYS A 1 199 ? -31.355 2.283 24.216 1.00 15.24 ? 278 CYS A C 1 ATOM 1577 O O . CYS A 1 199 ? -30.198 2.699 24.155 1.00 14.01 ? 278 CYS A O 1 ATOM 1578 C CB . CYS A 1 199 ? -32.895 3.877 23.098 1.00 18.57 ? 278 CYS A CB 1 ATOM 1579 S SG . CYS A 1 199 ? -34.533 4.668 23.137 1.00 19.83 ? 278 CYS A SG 1 ATOM 1580 N N . SER A 1 200 ? -31.681 1.004 24.116 1.00 15.75 ? 279 SER A N 1 ATOM 1581 C CA . SER A 1 200 ? -30.743 -0.024 23.692 1.00 14.87 ? 279 SER A CA 1 ATOM 1582 C C . SER A 1 200 ? -31.067 -0.414 22.261 1.00 16.12 ? 279 SER A C 1 ATOM 1583 O O . SER A 1 200 ? -32.148 -0.940 21.972 1.00 16.22 ? 279 SER A O 1 ATOM 1584 C CB . SER A 1 200 ? -30.826 -1.248 24.610 1.00 14.90 ? 279 SER A CB 1 ATOM 1585 O OG . SER A 1 200 ? -30.548 -0.881 25.956 1.00 14.97 ? 279 SER A OG 1 ATOM 1586 N N . CYS A 1 201 ? -30.122 -0.167 21.364 1.00 17.08 ? 280 CYS A N 1 ATOM 1587 C CA . CYS A 1 201 ? -30.380 -0.291 19.936 1.00 15.02 ? 280 CYS A CA 1 ATOM 1588 C C . CYS A 1 201 ? -29.481 -1.310 19.245 1.00 17.72 ? 280 CYS A C 1 ATOM 1589 O O . CYS A 1 201 ? -28.413 -1.667 19.750 1.00 17.82 ? 280 CYS A O 1 ATOM 1590 C CB . CYS A 1 201 ? -30.250 1.088 19.269 1.00 16.02 ? 280 CYS A CB 1 ATOM 1591 S SG . CYS A 1 201 ? -31.196 2.387 20.098 1.00 17.12 ? 280 CYS A SG 1 ATOM 1592 N N . TYR A 1 202 ? -29.934 -1.798 18.096 1.00 13.94 ? 281 TYR A N 1 ATOM 1593 C CA . TYR A 1 202 ? -29.152 -2.715 17.287 1.00 14.92 ? 281 TYR A CA 1 ATOM 1594 C C . TYR A 1 202 ? -29.609 -2.535 15.848 1.00 16.06 ? 281 TYR A C 1 ATOM 1595 O O . TYR A 1 202 ? -30.510 -1.743 15.579 1.00 17.52 ? 281 TYR A O 1 ATOM 1596 C CB . TYR A 1 202 ? -29.344 -4.163 17.748 1.00 13.07 ? 281 TYR A CB 1 ATOM 1597 C CG . TYR A 1 202 ? -30.763 -4.678 17.576 1.00 13.82 ? 281 TYR A CG 1 ATOM 1598 C CD1 . TYR A 1 202 ? -31.136 -5.346 16.418 1.00 16.44 ? 281 TYR A CD1 1 ATOM 1599 C CD2 . TYR A 1 202 ? -31.714 -4.493 18.565 1.00 14.78 ? 281 TYR A CD2 1 ATOM 1600 C CE1 . TYR A 1 202 ? -32.423 -5.820 16.241 1.00 19.62 ? 281 TYR A CE1 1 ATOM 1601 C CE2 . TYR A 1 202 ? -33.031 -4.963 18.396 1.00 14.18 ? 281 TYR A CE2 1 ATOM 1602 C CZ . TYR A 1 202 ? -33.364 -5.628 17.228 1.00 18.95 ? 281 TYR A CZ 1 ATOM 1603 O OH . TYR A 1 202 ? -34.646 -6.108 17.029 1.00 20.19 ? 281 TYR A OH 1 ATOM 1604 N N . VAL A 1 203 ? -28.986 -3.245 14.925 1.00 16.92 ? 282 VAL A N 1 ATOM 1605 C CA . VAL A 1 203 ? -29.366 -3.159 13.518 1.00 17.25 ? 282 VAL A CA 1 ATOM 1606 C C . VAL A 1 203 ? -29.859 -4.502 12.980 1.00 20.99 ? 282 VAL A C 1 ATOM 1607 O O . VAL A 1 203 ? -29.233 -5.551 13.177 1.00 17.99 ? 282 VAL A O 1 ATOM 1608 C CB . VAL A 1 203 ? -28.201 -2.654 12.641 1.00 18.69 ? 282 VAL A CB 1 ATOM 1609 C CG1 . VAL A 1 203 ? -28.608 -2.602 11.171 1.00 19.24 ? 282 VAL A CG1 1 ATOM 1610 C CG2 . VAL A 1 203 ? -27.745 -1.285 13.119 1.00 16.62 ? 282 VAL A CG2 1 ATOM 1611 N N . ASP A 1 204 ? -31.003 -4.448 12.311 1.00 19.19 ? 283 ASP A N 1 ATOM 1612 C CA . ASP A 1 204 ? -31.571 -5.593 11.608 1.00 21.21 ? 283 ASP A CA 1 ATOM 1613 C C . ASP A 1 204 ? -32.213 -4.991 10.361 1.00 21.79 ? 283 ASP A C 1 ATOM 1614 O O . ASP A 1 204 ? -33.426 -4.782 10.309 1.00 22.52 ? 283 ASP A O 1 ATOM 1615 C CB . ASP A 1 204 ? -32.596 -6.289 12.500 1.00 21.99 ? 283 ASP A CB 1 ATOM 1616 C CG . ASP A 1 204 ? -33.216 -7.517 11.853 1.00 23.80 ? 283 ASP A CG 1 ATOM 1617 O OD1 . ASP A 1 204 ? -32.731 -7.978 10.798 1.00 23.11 ? 283 ASP A OD1 1 ATOM 1618 O OD2 . ASP A 1 204 ? -34.210 -8.018 12.417 1.00 29.63 ? 283 ASP A OD2 1 ATOM 1619 N N . ILE A 1 205 ? -31.374 -4.725 9.365 1.00 21.05 ? 284 ILE A N 1 ATOM 1620 C CA . ILE A 1 205 ? -31.710 -3.859 8.236 1.00 21.25 ? 284 ILE A CA 1 ATOM 1621 C C . ILE A 1 205 ? -31.872 -2.415 8.710 1.00 21.24 ? 284 ILE A C 1 ATOM 1622 O O . ILE A 1 205 ? -31.057 -1.545 8.397 1.00 22.24 ? 284 ILE A O 1 ATOM 1623 C CB . ILE A 1 205 ? -32.970 -4.319 7.489 1.00 24.50 ? 284 ILE A CB 1 ATOM 1624 C CG1 . ILE A 1 205 ? -32.831 -5.787 7.066 1.00 23.65 ? 284 ILE A CG1 1 ATOM 1625 C CG2 . ILE A 1 205 ? -33.186 -3.425 6.276 1.00 26.92 ? 284 ILE A CG2 1 ATOM 1626 C CD1 . ILE A 1 205 ? -31.787 -5.999 5.999 1.00 24.79 ? 284 ILE A CD1 1 ATOM 1627 N N . ASP A 1 206 ? -32.926 -2.171 9.473 1.00 20.58 ? 285 ASP A N 1 ATOM 1628 C CA . ASP A 1 206 ? -33.136 -0.866 10.078 1.00 21.29 ? 285 ASP A CA 1 ATOM 1629 C C . ASP A 1 206 ? -32.641 -0.910 11.524 1.00 20.22 ? 285 ASP A C 1 ATOM 1630 O O . ASP A 1 206 ? -32.333 -1.987 12.054 1.00 18.32 ? 285 ASP A O 1 ATOM 1631 C CB . ASP A 1 206 ? -34.625 -0.489 10.029 1.00 20.07 ? 285 ASP A CB 1 ATOM 1632 C CG . ASP A 1 206 ? -35.161 -0.399 8.606 1.00 22.95 ? 285 ASP A CG 1 ATOM 1633 O OD1 . ASP A 1 206 ? -34.484 0.204 7.748 1.00 24.99 ? 285 ASP A OD1 1 ATOM 1634 O OD2 . ASP A 1 206 ? -36.265 -0.928 8.353 1.00 28.12 ? 285 ASP A OD2 1 ATOM 1635 N N . VAL A 1 207 ? -32.552 0.256 12.149 1.00 18.93 ? 287 VAL A N 1 ATOM 1636 C CA . VAL A 1 207 ? -32.202 0.338 13.554 1.00 18.09 ? 287 VAL A CA 1 ATOM 1637 C C . VAL A 1 207 ? -33.429 0.053 14.397 1.00 22.74 ? 287 VAL A C 1 ATOM 1638 O O . VAL A 1 207 ? -34.483 0.662 14.198 1.00 21.25 ? 287 VAL A O 1 ATOM 1639 C CB . VAL A 1 207 ? -31.664 1.733 13.917 1.00 17.12 ? 287 VAL A CB 1 ATOM 1640 C CG1 . VAL A 1 207 ? -31.325 1.819 15.401 1.00 15.93 ? 287 VAL A CG1 1 ATOM 1641 C CG2 . VAL A 1 207 ? -30.445 2.050 13.068 1.00 17.96 ? 287 VAL A CG2 1 ATOM 1642 N N . TYR A 1 208 ? -33.301 -0.888 15.328 1.00 18.74 ? 288 TYR A N 1 ATOM 1643 C CA . TYR A 1 208 ? -34.321 -1.085 16.350 1.00 17.66 ? 288 TYR A CA 1 ATOM 1644 C C . TYR A 1 208 ? -33.807 -0.626 17.701 1.00 19.08 ? 288 TYR A C 1 ATOM 1645 O O . TYR A 1 208 ? -32.662 -0.923 18.082 1.00 17.96 ? 288 TYR A O 1 ATOM 1646 C CB . TYR A 1 208 ? -34.757 -2.560 16.431 1.00 18.44 ? 288 TYR A CB 1 ATOM 1647 C CG . TYR A 1 208 ? -35.605 -2.996 15.265 1.00 21.59 ? 288 TYR A CG 1 ATOM 1648 C CD1 . TYR A 1 208 ? -36.987 -3.056 15.372 1.00 23.93 ? 288 TYR A CD1 1 ATOM 1649 C CD2 . TYR A 1 208 ? -35.027 -3.335 14.054 1.00 24.00 ? 288 TYR A CD2 1 ATOM 1650 C CE1 . TYR A 1 208 ? -37.765 -3.451 14.303 1.00 26.35 ? 288 TYR A CE1 1 ATOM 1651 C CE2 . TYR A 1 208 ? -35.797 -3.729 12.981 1.00 27.57 ? 288 TYR A CE2 1 ATOM 1652 C CZ . TYR A 1 208 ? -37.162 -3.786 13.109 1.00 29.36 ? 288 TYR A CZ 1 ATOM 1653 O OH . TYR A 1 208 ? -37.938 -4.185 12.042 1.00 35.48 ? 288 TYR A OH 1 ATOM 1654 N N . CYS A 1 209 ? -34.645 0.111 18.418 1.00 17.28 ? 289 CYS A N 1 ATOM 1655 C CA . CYS A 1 209 ? -34.319 0.564 19.758 1.00 17.45 ? 289 CYS A CA 1 ATOM 1656 C C . CYS A 1 209 ? -35.387 0.080 20.709 1.00 20.90 ? 289 CYS A C 1 ATOM 1657 O O . CYS A 1 209 ? -36.580 0.271 20.461 1.00 23.10 ? 289 CYS A O 1 ATOM 1658 C CB . CYS A 1 209 ? -34.255 2.088 19.841 1.00 20.23 ? 289 CYS A CB 1 ATOM 1659 S SG . CYS A 1 209 ? -32.849 2.840 18.982 1.00 19.18 ? 289 CYS A SG 1 ATOM 1660 N N . ILE A 1 210 ? -34.961 -0.542 21.801 1.00 19.16 ? 290 ILE A N 1 ATOM 1661 C CA . ILE A 1 210 ? -35.881 -0.917 22.864 1.00 20.16 ? 290 ILE A CA 1 ATOM 1662 C C . ILE A 1 210 ? -35.439 -0.160 24.104 1.00 19.45 ? 290 ILE A C 1 ATOM 1663 O O . ILE A 1 210 ? -34.271 -0.198 24.480 1.00 18.27 ? 290 ILE A O 1 ATOM 1664 C CB . ILE A 1 210 ? -35.869 -2.436 23.077 1.00 19.57 ? 290 ILE A CB 1 ATOM 1665 C CG1 . ILE A 1 210 ? -36.542 -3.108 21.873 1.00 21.75 ? 290 ILE A CG1 1 ATOM 1666 C CG2 . ILE A 1 210 ? -36.565 -2.803 24.379 1.00 20.46 ? 290 ILE A CG2 1 ATOM 1667 C CD1 . ILE A 1 210 ? -36.475 -4.606 21.854 1.00 21.46 ? 290 ILE A CD1 1 ATOM 1668 N N . CYS A 1 211 ? -36.364 0.553 24.738 1.00 18.71 ? 291 CYS A N 1 ATOM 1669 C CA . CYS A 1 211 ? -35.948 1.559 25.704 1.00 18.17 ? 291 CYS A CA 1 ATOM 1670 C C . CYS A 1 211 ? -36.619 1.415 27.069 1.00 17.37 ? 291 CYS A C 1 ATOM 1671 O O . CYS A 1 211 ? -37.165 0.355 27.410 1.00 18.42 ? 291 CYS A O 1 ATOM 1672 C CB . CYS A 1 211 ? -36.152 2.972 25.117 1.00 18.44 ? 291 CYS A CB 1 ATOM 1673 S SG . CYS A 1 211 ? -35.814 3.070 23.312 1.00 19.96 ? 291 CYS A SG 1 ATOM 1674 N N . ARG A 1 212 ? -36.543 2.484 27.845 1.00 18.14 ? 292 ARG A N 1 ATOM 1675 C CA . ARG A 1 212 ? -37.037 2.509 29.211 1.00 19.01 ? 292 ARG A CA 1 ATOM 1676 C C . ARG A 1 212 ? -38.115 3.586 29.377 1.00 18.54 ? 292 ARG A C 1 ATOM 1677 O O . ARG A 1 212 ? -37.855 4.762 29.178 1.00 19.43 ? 292 ARG A O 1 ATOM 1678 C CB . ARG A 1 212 ? -35.871 2.762 30.161 1.00 19.56 ? 292 ARG A CB 1 ATOM 1679 C CG . ARG A 1 212 ? -36.243 3.136 31.570 1.00 19.96 ? 292 ARG A CG 1 ATOM 1680 C CD . ARG A 1 212 ? -34.984 3.447 32.374 1.00 18.76 ? 292 ARG A CD 1 ATOM 1681 N NE . ARG A 1 212 ? -35.276 3.934 33.715 1.00 21.82 ? 292 ARG A NE 1 ATOM 1682 C CZ . ARG A 1 212 ? -34.364 4.174 34.649 1.00 20.77 ? 292 ARG A CZ 1 ATOM 1683 N NH1 . ARG A 1 212 ? -33.074 3.961 34.409 1.00 18.83 ? 292 ARG A NH1 1 ATOM 1684 N NH2 . ARG A 1 212 ? -34.738 4.628 35.838 1.00 25.06 ? 292 ARG A NH2 1 ATOM 1685 N N . ASP A 1 213 ? -39.327 3.161 29.725 1.00 20.37 ? 293 ASP A N 1 ATOM 1686 C CA . ASP A 1 213 ? -40.399 4.075 30.112 1.00 20.41 ? 293 ASP A CA 1 ATOM 1687 C C . ASP A 1 213 ? -40.325 4.140 31.629 1.00 20.94 ? 293 ASP A C 1 ATOM 1688 O O . ASP A 1 213 ? -40.502 3.123 32.284 1.00 23.08 ? 293 ASP A O 1 ATOM 1689 C CB . ASP A 1 213 ? -41.745 3.497 29.647 1.00 22.05 ? 293 ASP A CB 1 ATOM 1690 C CG . ASP A 1 213 ? -42.954 4.304 30.130 1.00 20.95 ? 293 ASP A CG 1 ATOM 1691 O OD1 . ASP A 1 213 ? -42.938 4.784 31.284 1.00 24.66 ? 293 ASP A OD1 1 ATOM 1692 O OD2 . ASP A 1 213 ? -43.928 4.431 29.351 1.00 24.43 ? 293 ASP A OD2 1 ATOM 1693 N N . ASN A 1 214 ? -40.039 5.304 32.200 1.00 22.25 ? 294 ASN A N 1 ATOM 1694 C CA . ASN A 1 214 ? -39.890 5.383 33.650 1.00 23.30 ? 294 ASN A CA 1 ATOM 1695 C C . ASN A 1 214 ? -41.140 5.928 34.321 1.00 27.29 ? 294 ASN A C 1 ATOM 1696 O O . ASN A 1 214 ? -41.104 6.299 35.493 1.00 29.36 ? 294 ASN A O 1 ATOM 1697 C CB . ASN A 1 214 ? -38.648 6.191 34.067 1.00 24.14 ? 294 ASN A CB 1 ATOM 1698 C CG . ASN A 1 214 ? -38.718 7.662 33.667 1.00 29.92 ? 294 ASN A CG 1 ATOM 1699 O OD1 . ASN A 1 214 ? -37.680 8.295 33.426 1.00 28.74 ? 294 ASN A OD1 1 ATOM 1700 N ND2 . ASN A 1 214 ? -39.925 8.223 33.617 1.00 24.10 ? 294 ASN A ND2 1 ATOM 1701 N N . TRP A 1 215 ? -42.234 5.955 33.565 1.00 26.94 ? 295 TRP A N 1 ATOM 1702 C CA . TRP A 1 215 ? -43.465 6.612 33.996 1.00 28.31 ? 295 TRP A CA 1 ATOM 1703 C C . TRP A 1 215 ? -44.616 5.624 34.189 1.00 26.46 ? 295 TRP A C 1 ATOM 1704 O O . TRP A 1 215 ? -44.886 5.202 35.304 1.00 27.92 ? 295 TRP A O 1 ATOM 1705 C CB . TRP A 1 215 ? -43.863 7.702 32.993 1.00 27.49 ? 295 TRP A CB 1 ATOM 1706 C CG . TRP A 1 215 ? -44.969 8.626 33.459 1.00 31.14 ? 295 TRP A CG 1 ATOM 1707 C CD1 . TRP A 1 215 ? -45.521 8.695 34.710 1.00 34.10 ? 295 TRP A CD1 1 ATOM 1708 C CD2 . TRP A 1 215 ? -45.639 9.617 32.672 1.00 31.40 ? 295 TRP A CD2 1 ATOM 1709 N NE1 . TRP A 1 215 ? -46.501 9.668 34.746 1.00 32.67 ? 295 TRP A NE1 1 ATOM 1710 C CE2 . TRP A 1 215 ? -46.593 10.246 33.504 1.00 34.56 ? 295 TRP A CE2 1 ATOM 1711 C CE3 . TRP A 1 215 ? -45.535 10.027 31.339 1.00 32.32 ? 295 TRP A CE3 1 ATOM 1712 C CZ2 . TRP A 1 215 ? -47.425 11.269 33.050 1.00 34.37 ? 295 TRP A CZ2 1 ATOM 1713 C CZ3 . TRP A 1 215 ? -46.364 11.044 30.889 1.00 35.22 ? 295 TRP A CZ3 1 ATOM 1714 C CH2 . TRP A 1 215 ? -47.299 11.650 31.741 1.00 35.83 ? 295 TRP A CH2 1 ATOM 1715 N N . LYS A 1 216 ? -45.287 5.250 33.105 1.00 28.45 ? 296 LYS A N 1 ATOM 1716 C CA . LYS A 1 216 ? -46.467 4.387 33.218 1.00 28.14 ? 296 LYS A CA 1 ATOM 1717 C C . LYS A 1 216 ? -46.293 2.984 32.643 1.00 32.46 ? 296 LYS A C 1 ATOM 1718 O O . LYS A 1 216 ? -47.213 2.170 32.724 1.00 31.03 ? 296 LYS A O 1 ATOM 1719 C CB . LYS A 1 216 ? -47.672 5.042 32.540 1.00 32.55 ? 296 LYS A CB 1 ATOM 1720 C CG . LYS A 1 216 ? -48.102 6.376 33.134 1.00 34.94 ? 296 LYS A CG 1 ATOM 1721 C CD . LYS A 1 216 ? -48.868 7.192 32.082 1.00 40.91 ? 296 LYS A CD 1 ATOM 1722 C CE . LYS A 1 216 ? -48.080 7.243 30.757 1.00 36.65 ? 296 LYS A CE 1 ATOM 1723 N NZ . LYS A 1 216 ? -48.682 8.124 29.721 1.00 45.55 ? 296 LYS A NZ 1 ATOM 1724 N N . GLY A 1 217 ? -45.137 2.691 32.055 1.00 24.66 ? 297 GLY A N 1 ATOM 1725 C CA . GLY A 1 217 ? -44.975 1.435 31.343 1.00 23.90 ? 297 GLY A CA 1 ATOM 1726 C C . GLY A 1 217 ? -44.033 0.429 31.968 1.00 26.39 ? 297 GLY A C 1 ATOM 1727 O O . GLY A 1 217 ? -42.850 0.696 32.112 1.00 26.73 ? 297 GLY A O 1 ATOM 1728 N N . SER A 1 218 ? -44.555 -0.733 32.339 1.00 24.25 ? 298 SER A N 1 ATOM 1729 C CA . SER A 1 218 ? -43.713 -1.841 32.771 1.00 24.68 ? 298 SER A CA 1 ATOM 1730 C C . SER A 1 218 ? -43.267 -2.634 31.555 1.00 23.03 ? 298 SER A C 1 ATOM 1731 O O . SER A 1 218 ? -42.317 -3.417 31.625 1.00 24.23 ? 298 SER A O 1 ATOM 1732 C CB . SER A 1 218 ? -44.455 -2.748 33.759 1.00 27.83 ? 298 SER A CB 1 ATOM 1733 O OG . SER A 1 218 ? -45.642 -3.267 33.185 1.00 27.07 ? 298 SER A OG 1 ATOM 1734 N N . ASN A 1 219 ? -43.966 -2.435 30.442 1.00 24.20 ? 299 ASN A N 1 ATOM 1735 C CA . ASN A 1 219 ? -43.518 -2.916 29.139 1.00 23.60 ? 299 ASN A CA 1 ATOM 1736 C C . ASN A 1 219 ? -42.544 -1.891 28.544 1.00 22.78 ? 299 ASN A C 1 ATOM 1737 O O . ASN A 1 219 ? -42.577 -0.714 28.907 1.00 22.12 ? 299 ASN A O 1 ATOM 1738 C CB . ASN A 1 219 ? -44.705 -3.164 28.193 1.00 23.61 ? 299 ASN A CB 1 ATOM 1739 C CG . ASN A 1 219 ? -45.722 -2.007 28.178 1.00 24.72 ? 299 ASN A CG 1 ATOM 1740 O OD1 . ASN A 1 219 ? -45.750 -1.160 29.079 1.00 24.97 ? 299 ASN A OD1 1 ATOM 1741 N ND2 . ASN A 1 219 ? -46.577 -1.996 27.156 1.00 28.71 ? 299 ASN A ND2 1 ATOM 1742 N N . ARG A 1 220 ? -41.679 -2.332 27.638 1.00 23.57 ? 300 ARG A N 1 ATOM 1743 C CA . ARG A 1 220 ? -40.684 -1.426 27.066 1.00 21.34 ? 300 ARG A CA 1 ATOM 1744 C C . ARG A 1 220 ? -41.118 -0.778 25.761 1.00 21.18 ? 300 ARG A C 1 ATOM 1745 O O . ARG A 1 220 ? -41.586 -1.466 24.850 1.00 22.42 ? 300 ARG A O 1 ATOM 1746 C CB . ARG A 1 220 ? -39.345 -2.160 26.867 1.00 21.65 ? 300 ARG A CB 1 ATOM 1747 C CG . ARG A 1 220 ? -38.652 -2.499 28.173 1.00 21.25 ? 300 ARG A CG 1 ATOM 1748 C CD . ARG A 1 220 ? -37.185 -2.893 27.947 1.00 20.15 ? 300 ARG A CD 1 ATOM 1749 N NE . ARG A 1 220 ? -36.537 -3.253 29.209 1.00 19.32 ? 300 ARG A NE 1 ATOM 1750 C CZ . ARG A 1 220 ? -36.167 -2.371 30.131 1.00 16.26 ? 300 ARG A CZ 1 ATOM 1751 N NH1 . ARG A 1 220 ? -36.353 -1.077 29.921 1.00 19.27 ? 300 ARG A NH1 1 ATOM 1752 N NH2 . ARG A 1 220 ? -35.595 -2.777 31.262 1.00 18.67 ? 300 ARG A NH2 1 ATOM 1753 N N . PRO A 1 221 ? -40.924 0.550 25.654 1.00 21.99 ? 301 PRO A N 1 ATOM 1754 C CA . PRO A 1 221 ? -41.177 1.286 24.412 1.00 22.59 ? 301 PRO A CA 1 ATOM 1755 C C . PRO A 1 221 ? -40.130 0.941 23.369 1.00 22.24 ? 301 PRO A C 1 ATOM 1756 O O . PRO A 1 221 ? -39.007 0.603 23.743 1.00 22.43 ? 301 PRO A O 1 ATOM 1757 C CB . PRO A 1 221 ? -41.027 2.753 24.829 1.00 22.47 ? 301 PRO A CB 1 ATOM 1758 C CG . PRO A 1 221 ? -40.128 2.726 26.031 1.00 23.56 ? 301 PRO A CG 1 ATOM 1759 C CD . PRO A 1 221 ? -40.442 1.426 26.739 1.00 19.50 ? 301 PRO A CD 1 ATOM 1760 N N . TRP A 1 222 ? -40.480 1.012 22.087 1.00 22.16 ? 302 TRP A N 1 ATOM 1761 C CA . TRP A 1 222 ? -39.498 0.732 21.042 1.00 23.38 ? 302 TRP A CA 1 ATOM 1762 C C . TRP A 1 222 ? -39.703 1.568 19.788 1.00 24.91 ? 302 TRP A C 1 ATOM 1763 O O . TRP A 1 222 ? -40.789 2.114 19.556 1.00 23.62 ? 302 TRP A O 1 ATOM 1764 C CB . TRP A 1 222 ? -39.492 -0.758 20.685 1.00 22.71 ? 302 TRP A CB 1 ATOM 1765 C CG . TRP A 1 222 ? -40.787 -1.223 20.081 1.00 23.78 ? 302 TRP A CG 1 ATOM 1766 C CD1 . TRP A 1 222 ? -41.877 -1.717 20.752 1.00 24.64 ? 302 TRP A CD1 1 ATOM 1767 C CD2 . TRP A 1 222 ? -41.134 -1.235 18.693 1.00 24.23 ? 302 TRP A CD2 1 ATOM 1768 N NE1 . TRP A 1 222 ? -42.871 -2.038 19.866 1.00 25.83 ? 302 TRP A NE1 1 ATOM 1769 C CE2 . TRP A 1 222 ? -42.445 -1.750 18.593 1.00 22.87 ? 302 TRP A CE2 1 ATOM 1770 C CE3 . TRP A 1 222 ? -40.471 -0.861 17.523 1.00 25.06 ? 302 TRP A CE3 1 ATOM 1771 C CZ2 . TRP A 1 222 ? -43.100 -1.905 17.374 1.00 26.30 ? 302 TRP A CZ2 1 ATOM 1772 C CZ3 . TRP A 1 222 ? -41.122 -1.018 16.309 1.00 23.53 ? 302 TRP A CZ3 1 ATOM 1773 C CH2 . TRP A 1 222 ? -42.430 -1.528 16.246 1.00 24.48 ? 302 TRP A CH2 1 ATOM 1774 N N . MET A 1 223 ? -38.644 1.676 18.990 1.00 22.51 ? 303 MET A N 1 ATOM 1775 C CA . MET A 1 223 ? -38.704 2.366 17.708 1.00 21.73 ? 303 MET A CA 1 ATOM 1776 C C . MET A 1 223 ? -37.947 1.602 16.646 1.00 23.26 ? 303 MET A C 1 ATOM 1777 O O . MET A 1 223 ? -36.965 0.914 16.929 1.00 22.80 ? 303 MET A O 1 ATOM 1778 C CB . MET A 1 223 ? -38.064 3.757 17.802 1.00 24.28 ? 303 MET A CB 1 ATOM 1779 C CG . MET A 1 223 ? -38.455 4.581 18.999 1.00 26.37 ? 303 MET A CG 1 ATOM 1780 S SD . MET A 1 223 ? -37.624 6.192 18.942 1.00 23.75 ? 303 MET A SD 1 ATOM 1781 C CE . MET A 1 223 ? -36.028 5.830 19.667 1.00 19.89 ? 303 MET A CE 1 ATOM 1782 N N . ARG A 1 224 ? -38.391 1.767 15.411 1.00 21.61 ? 304 ARG A N 1 ATOM 1783 C CA . ARG A 1 224 ? -37.676 1.283 14.250 1.00 23.34 ? 304 ARG A CA 1 ATOM 1784 C C . ARG A 1 224 ? -37.294 2.518 13.440 1.00 25.41 ? 304 ARG A C 1 ATOM 1785 O O . ARG A 1 224 ? -38.148 3.343 13.120 1.00 24.13 ? 304 ARG A O 1 ATOM 1786 C CB . ARG A 1 224 ? -38.583 0.350 13.454 1.00 25.24 ? 304 ARG A CB 1 ATOM 1787 C CG . ARG A 1 224 ? -37.998 -0.163 12.164 1.00 28.15 ? 304 ARG A CG 1 ATOM 1788 C CD . ARG A 1 224 ? -38.944 -1.174 11.543 1.00 32.42 ? 304 ARG A CD 1 ATOM 1789 N NE . ARG A 1 224 ? -38.589 -1.433 10.155 1.00 32.21 ? 304 ARG A NE 1 ATOM 1790 C CZ . ARG A 1 224 ? -39.384 -1.160 9.126 1.00 42.27 ? 304 ARG A CZ 1 ATOM 1791 N NH1 . ARG A 1 224 ? -40.584 -0.637 9.338 1.00 43.61 ? 304 ARG A NH1 1 ATOM 1792 N NH2 . ARG A 1 224 ? -38.988 -1.423 7.888 1.00 49.46 ? 304 ARG A NH2 1 ATOM 1793 N N . ILE A 1 225 ? -36.009 2.650 13.127 1.00 21.27 ? 305 ILE A N 1 ATOM 1794 C CA . ILE A 1 225 ? -35.481 3.879 12.540 1.00 21.60 ? 305 ILE A CA 1 ATOM 1795 C C . ILE A 1 225 ? -34.579 3.544 11.363 1.00 21.62 ? 305 ILE A C 1 ATOM 1796 O O . ILE A 1 225 ? -33.824 2.576 11.419 1.00 21.24 ? 305 ILE A O 1 ATOM 1797 C CB . ILE A 1 225 ? -34.628 4.653 13.572 1.00 20.29 ? 305 ILE A CB 1 ATOM 1798 C CG1 . ILE A 1 225 ? -35.351 4.774 14.915 1.00 19.85 ? 305 ILE A CG1 1 ATOM 1799 C CG2 . ILE A 1 225 ? -34.226 6.024 13.023 1.00 21.86 ? 305 ILE A CG2 1 ATOM 1800 C CD1 . ILE A 1 225 ? -34.426 5.225 16.067 1.00 17.26 ? 305 ILE A CD1 1 ATOM 1801 N N . ASN A 1 226 ? -34.633 4.332 10.295 1.00 19.70 ? 306 ASN A N 1 ATOM 1802 C CA . ASN A 1 226 ? -33.605 4.202 9.258 1.00 21.19 ? 306 ASN A CA 1 ATOM 1803 C C . ASN A 1 226 ? -32.700 5.432 9.186 1.00 20.41 ? 306 ASN A C 1 ATOM 1804 O O . ASN A 1 226 ? -32.689 6.235 10.113 1.00 20.23 ? 306 ASN A O 1 ATOM 1805 C CB . ASN A 1 226 ? -34.176 3.801 7.889 1.00 21.49 ? 306 ASN A CB 1 ATOM 1806 C CG . ASN A 1 226 ? -35.024 4.888 7.260 1.00 24.77 ? 306 ASN A CG 1 ATOM 1807 O OD1 . ASN A 1 226 ? -35.740 4.645 6.287 1.00 31.72 ? 306 ASN A OD1 1 ATOM 1808 N ND2 . ASN A 1 226 ? -34.950 6.085 7.810 1.00 21.37 ? 306 ASN A ND2 1 ATOM 1809 N N . ASN A 1 227 ? -31.922 5.551 8.109 1.00 19.80 ? 307 ASN A N 1 ATOM 1810 C CA . ASN A 1 227 ? -30.966 6.655 7.966 1.00 18.47 ? 307 ASN A CA 1 ATOM 1811 C C . ASN A 1 227 ? -31.614 8.020 7.732 1.00 20.22 ? 307 ASN A C 1 ATOM 1812 O O . ASN A 1 227 ? -30.916 9.022 7.608 1.00 20.53 ? 307 ASN A O 1 ATOM 1813 C CB . ASN A 1 227 ? -29.945 6.362 6.856 1.00 20.72 ? 307 ASN A CB 1 ATOM 1814 C CG . ASN A 1 227 ? -30.550 6.418 5.458 1.00 21.67 ? 307 ASN A CG 1 ATOM 1815 O OD1 . ASN A 1 227 ? -31.694 6.022 5.251 1.00 24.14 ? 307 ASN A OD1 1 ATOM 1816 N ND2 . ASN A 1 227 ? -29.762 6.898 4.490 1.00 22.56 ? 307 ASN A ND2 1 ATOM 1817 N N . GLU A 1 228 ? -32.944 8.053 7.684 1.00 21.29 ? 308 GLU A N 1 ATOM 1818 C CA . GLU A 1 228 ? -33.671 9.283 7.360 1.00 24.52 ? 308 GLU A CA 1 ATOM 1819 C C . GLU A 1 228 ? -34.749 9.642 8.386 1.00 23.51 ? 308 GLU A C 1 ATOM 1820 O O . GLU A 1 228 ? -34.977 10.823 8.680 1.00 25.92 ? 308 GLU A O 1 ATOM 1821 C CB . GLU A 1 228 ? -34.291 9.184 5.950 1.00 23.84 ? 308 GLU A CB 1 ATOM 1822 C CG . GLU A 1 228 ? -33.250 9.084 4.831 1.00 26.30 ? 308 GLU A CG 1 ATOM 1823 C CD . GLU A 1 228 ? -33.839 9.042 3.426 1.00 31.32 ? 308 GLU A CD 1 ATOM 1824 O OE1 . GLU A 1 228 ? -33.084 9.298 2.463 1.00 32.63 ? 308 GLU A OE1 1 ATOM 1825 O OE2 . GLU A 1 228 ? -35.049 8.753 3.274 1.00 31.01 ? 308 GLU A OE2 1 ATOM 1826 N N . THR A 1 229 ? -35.416 8.642 8.941 1.00 22.53 ? 309 THR A N 1 ATOM 1827 C CA . THR A 1 229 ? -36.598 8.935 9.737 1.00 21.10 ? 309 THR A CA 1 ATOM 1828 C C . THR A 1 229 ? -36.982 7.807 10.696 1.00 21.30 ? 309 THR A C 1 ATOM 1829 O O . THR A 1 229 ? -36.529 6.673 10.551 1.00 23.49 ? 309 THR A O 1 ATOM 1830 C CB . THR A 1 229 ? -37.796 9.205 8.803 1.00 25.61 ? 309 THR A CB 1 ATOM 1831 O OG1 . THR A 1 229 ? -38.846 9.836 9.538 1.00 25.93 ? 309 THR A OG1 1 ATOM 1832 C CG2 . THR A 1 229 ? -38.315 7.899 8.207 1.00 27.56 ? 309 THR A CG2 1 ATOM 1833 N N . ILE A 1 230 ? -37.818 8.126 11.678 1.00 21.45 ? 311 ILE A N 1 ATOM 1834 C CA . ILE A 1 230 ? -38.463 7.098 12.492 1.00 22.79 ? 311 ILE A CA 1 ATOM 1835 C C . ILE A 1 230 ? -39.565 6.430 11.676 1.00 27.88 ? 311 ILE A C 1 ATOM 1836 O O . ILE A 1 230 ? -40.459 7.116 11.166 1.00 26.24 ? 311 ILE A O 1 ATOM 1837 C CB . ILE A 1 230 ? -39.061 7.693 13.780 1.00 21.53 ? 311 ILE A CB 1 ATOM 1838 C CG1 . ILE A 1 230 ? -37.949 8.276 14.662 1.00 20.52 ? 311 ILE A CG1 1 ATOM 1839 C CG2 . ILE A 1 230 ? -39.892 6.652 14.524 1.00 21.12 ? 311 ILE A CG2 1 ATOM 1840 C CD1 . ILE A 1 230 ? -38.457 9.137 15.796 1.00 21.04 ? 311 ILE A CD1 1 ATOM 1841 N N . LEU A 1 231 ? -39.505 5.103 11.560 1.00 23.07 ? 312 LEU A N 1 ATOM 1842 C CA . LEU A 1 231 ? -40.423 4.340 10.710 1.00 24.56 ? 312 LEU A CA 1 ATOM 1843 C C . LEU A 1 231 ? -41.633 3.782 11.473 1.00 28.70 ? 312 LEU A C 1 ATOM 1844 O O . LEU A 1 231 ? -42.764 3.796 10.962 1.00 28.00 ? 312 LEU A O 1 ATOM 1845 C CB . LEU A 1 231 ? -39.665 3.189 10.024 1.00 23.94 ? 312 LEU A CB 1 ATOM 1846 C CG . LEU A 1 231 ? -38.582 3.587 9.013 1.00 29.17 ? 312 LEU A CG 1 ATOM 1847 C CD1 . LEU A 1 231 ? -37.820 2.362 8.487 1.00 28.53 ? 312 LEU A CD1 1 ATOM 1848 C CD2 . LEU A 1 231 ? -39.178 4.386 7.858 1.00 27.26 ? 312 LEU A CD2 1 ATOM 1849 N N . GLU A 1 232 ? -41.395 3.277 12.681 1.00 26.77 ? 313 GLU A N 1 ATOM 1850 C CA . GLU A 1 232 ? -42.463 2.730 13.521 1.00 25.53 ? 313 GLU A CA 1 ATOM 1851 C C . GLU A 1 232 ? -42.144 2.972 14.983 1.00 27.06 ? 313 GLU A C 1 ATOM 1852 O O . GLU A 1 232 ? -40.972 3.155 15.350 1.00 25.61 ? 313 GLU A O 1 ATOM 1853 C CB . GLU A 1 232 ? -42.630 1.222 13.335 1.00 28.23 ? 313 GLU A CB 1 ATOM 1854 C CG . GLU A 1 232 ? -42.667 0.711 11.911 1.00 32.21 ? 313 GLU A CG 1 ATOM 1855 C CD . GLU A 1 232 ? -42.574 -0.804 11.868 1.00 38.99 ? 313 GLU A CD 1 ATOM 1856 O OE1 . GLU A 1 232 ? -42.459 -1.372 10.764 1.00 41.28 ? 313 GLU A OE1 1 ATOM 1857 O OE2 . GLU A 1 232 ? -42.602 -1.425 12.952 1.00 38.79 ? 313 GLU A OE2 1 ATOM 1858 N N . THR A 1 233 ? -43.187 2.959 15.812 1.00 24.30 ? 314 THR A N 1 ATOM 1859 C CA . THR A 1 233 ? -43.044 3.020 17.261 1.00 23.46 ? 314 THR A CA 1 ATOM 1860 C C . THR A 1 233 ? -44.043 2.097 17.926 1.00 26.13 ? 314 THR A C 1 ATOM 1861 O O . THR A 1 233 ? -45.024 1.669 17.306 1.00 28.03 ? 314 THR A O 1 ATOM 1862 C CB . THR A 1 233 ? -43.264 4.439 17.824 1.00 25.31 ? 314 THR A CB 1 ATOM 1863 O OG1 . THR A 1 233 ? -44.657 4.793 17.727 1.00 26.31 ? 314 THR A OG1 1 ATOM 1864 C CG2 . THR A 1 233 ? -42.416 5.456 17.073 1.00 24.83 ? 314 THR A CG2 1 ATOM 1865 N N . GLY A 1 234 ? -43.801 1.793 19.195 1.00 25.47 ? 315 GLY A N 1 ATOM 1866 C CA . GLY A 1 234 ? -44.735 0.981 19.942 1.00 27.13 ? 315 GLY A CA 1 ATOM 1867 C C . GLY A 1 234 ? -44.236 0.650 21.326 1.00 24.93 ? 315 GLY A C 1 ATOM 1868 O O . GLY A 1 234 ? -43.269 1.248 21.808 1.00 23.93 ? 315 GLY A O 1 ATOM 1869 N N . TYR A 1 235 ? -44.940 -0.268 21.979 1.00 23.80 ? 316 TYR A N 1 ATOM 1870 C CA . TYR A 1 235 ? -44.422 -0.951 23.150 1.00 25.87 ? 316 TYR A CA 1 ATOM 1871 C C . TYR A 1 235 ? -44.325 -2.433 22.789 1.00 25.64 ? 316 TYR A C 1 ATOM 1872 O O . TYR A 1 235 ? -45.056 -2.923 21.919 1.00 26.88 ? 316 TYR A O 1 ATOM 1873 C CB . TYR A 1 235 ? -45.320 -0.745 24.362 1.00 25.58 ? 316 TYR A CB 1 ATOM 1874 C CG . TYR A 1 235 ? -45.171 0.607 25.037 1.00 23.59 ? 316 TYR A CG 1 ATOM 1875 C CD1 . TYR A 1 235 ? -45.855 1.732 24.572 1.00 25.62 ? 316 TYR A CD1 1 ATOM 1876 C CD2 . TYR A 1 235 ? -44.359 0.753 26.154 1.00 24.11 ? 316 TYR A CD2 1 ATOM 1877 C CE1 . TYR A 1 235 ? -45.716 2.956 25.198 1.00 26.06 ? 316 TYR A CE1 1 ATOM 1878 C CE2 . TYR A 1 235 ? -44.206 1.973 26.780 1.00 23.50 ? 316 TYR A CE2 1 ATOM 1879 C CZ . TYR A 1 235 ? -44.891 3.073 26.303 1.00 25.89 ? 316 TYR A CZ 1 ATOM 1880 O OH . TYR A 1 235 ? -44.737 4.287 26.935 1.00 24.03 ? 316 TYR A OH 1 ATOM 1881 N N . VAL A 1 236 ? -43.400 -3.142 23.422 1.00 24.75 ? 317 VAL A N 1 ATOM 1882 C CA . VAL A 1 236 ? -43.258 -4.565 23.133 1.00 23.74 ? 317 VAL A CA 1 ATOM 1883 C C . VAL A 1 236 ? -44.535 -5.304 23.518 1.00 23.29 ? 317 VAL A C 1 ATOM 1884 O O . VAL A 1 236 ? -44.953 -5.258 24.668 1.00 24.69 ? 317 VAL A O 1 ATOM 1885 C CB . VAL A 1 236 ? -42.080 -5.178 23.900 1.00 21.91 ? 317 VAL A CB 1 ATOM 1886 C CG1 . VAL A 1 236 ? -41.914 -6.644 23.508 1.00 25.49 ? 317 VAL A CG1 1 ATOM 1887 C CG2 . VAL A 1 236 ? -40.811 -4.382 23.626 1.00 21.28 ? 317 VAL A CG2 1 ATOM 1888 N N . CYS A 1 237 ? -45.124 -6.008 22.556 1.00 23.63 ? 318 CYS A N 1 ATOM 1889 C CA . CYS A 1 237 ? -46.439 -6.634 22.754 1.00 27.38 ? 318 CYS A CA 1 ATOM 1890 C C . CYS A 1 237 ? -46.426 -7.681 23.856 1.00 29.38 ? 318 CYS A C 1 ATOM 1891 O O . CYS A 1 237 ? -47.419 -7.873 24.559 1.00 27.00 ? 318 CYS A O 1 ATOM 1892 C CB . CYS A 1 237 ? -46.917 -7.291 21.460 1.00 29.49 ? 318 CYS A CB 1 ATOM 1893 S SG . CYS A 1 237 ? -47.310 -6.153 20.134 1.00 29.07 ? 318 CYS A SG 1 ATOM 1894 N N . SER A 1 238 ? -45.292 -8.357 24.001 1.00 24.33 ? 319 SER A N 1 ATOM 1895 C CA . SER A 1 238 ? -45.167 -9.472 24.933 1.00 27.53 ? 319 SER A CA 1 ATOM 1896 C C . SER A 1 238 ? -45.925 -9.269 26.228 1.00 27.79 ? 319 SER A C 1 ATOM 1897 O O . SER A 1 238 ? -45.685 -8.307 26.947 1.00 26.82 ? 319 SER A O 1 ATOM 1898 C CB . SER A 1 238 ? -43.693 -9.746 25.251 1.00 27.65 ? 319 SER A CB 1 ATOM 1899 O OG . SER A 1 238 ? -43.568 -10.541 26.423 1.00 25.97 ? 319 SER A OG 1 ATOM 1900 N N . LYS A 1 239 ? -46.849 -10.185 26.530 1.00 25.34 ? 320 LYS A N 1 ATOM 1901 C CA . LYS A 1 239 ? -47.560 -10.116 27.795 1.00 28.06 ? 320 LYS A CA 1 ATOM 1902 C C . LYS A 1 239 ? -46.639 -10.420 28.961 1.00 27.00 ? 320 LYS A C 1 ATOM 1903 O O . LYS A 1 239 ? -47.017 -10.276 30.116 1.00 29.66 ? 320 LYS A O 1 ATOM 1904 C CB . LYS A 1 239 ? -48.789 -11.044 27.804 1.00 27.66 ? 320 LYS A CB 1 ATOM 1905 C CG . LYS A 1 239 ? -48.482 -12.532 27.737 1.00 32.05 ? 320 LYS A CG 1 ATOM 1906 C CD . LYS A 1 239 ? -49.811 -13.307 27.763 1.00 35.68 ? 320 LYS A CD 1 ATOM 1907 C CE . LYS A 1 239 ? -49.596 -14.806 27.687 1.00 36.54 ? 320 LYS A CE 1 ATOM 1908 N NZ . LYS A 1 239 ? -50.901 -15.552 27.688 1.00 36.56 ? 320 LYS A NZ 1 ATOM 1909 N N . PHE A 1 240 ? -45.412 -10.843 28.665 1.00 29.34 ? 321 PHE A N 1 ATOM 1910 C CA . PHE A 1 240 ? -44.416 -10.983 29.715 1.00 27.06 ? 321 PHE A CA 1 ATOM 1911 C C . PHE A 1 240 ? -43.558 -9.732 29.641 1.00 25.77 ? 321 PHE A C 1 ATOM 1912 O O . PHE A 1 240 ? -42.872 -9.524 28.645 1.00 27.37 ? 321 PHE A O 1 ATOM 1913 C CB . PHE A 1 240 ? -43.574 -12.240 29.492 1.00 27.86 ? 321 PHE A CB 1 ATOM 1914 C CG . PHE A 1 240 ? -44.398 -13.479 29.300 1.00 27.74 ? 321 PHE A CG 1 ATOM 1915 C CD1 . PHE A 1 240 ? -44.707 -13.932 28.023 1.00 28.52 ? 321 PHE A CD1 1 ATOM 1916 C CD2 . PHE A 1 240 ? -44.895 -14.163 30.393 1.00 32.09 ? 321 PHE A CD2 1 ATOM 1917 C CE1 . PHE A 1 240 ? -45.489 -15.069 27.836 1.00 32.95 ? 321 PHE A CE1 1 ATOM 1918 C CE2 . PHE A 1 240 ? -45.680 -15.300 30.217 1.00 31.83 ? 321 PHE A CE2 1 ATOM 1919 C CZ . PHE A 1 240 ? -45.976 -15.747 28.934 1.00 33.39 ? 321 PHE A CZ 1 ATOM 1920 N N . HIS A 1 241 ? -43.634 -8.897 30.675 1.00 26.30 ? 322 HIS A N 1 ATOM 1921 C CA . HIS A 1 241 ? -43.006 -7.574 30.640 1.00 23.37 ? 322 HIS A CA 1 ATOM 1922 C C . HIS A 1 241 ? -41.543 -7.699 31.005 1.00 24.21 ? 322 HIS A C 1 ATOM 1923 O O . HIS A 1 241 ? -41.128 -8.695 31.593 1.00 24.57 ? 322 HIS A O 1 ATOM 1924 C CB . HIS A 1 241 ? -43.708 -6.606 31.589 1.00 25.05 ? 322 HIS A CB 1 ATOM 1925 C CG . HIS A 1 241 ? -45.129 -6.328 31.215 1.00 27.25 ? 322 HIS A CG 1 ATOM 1926 N ND1 . HIS A 1 241 ? -45.935 -5.459 31.925 1.00 27.46 ? 322 HIS A ND1 1 ATOM 1927 C CD2 . HIS A 1 241 ? -45.893 -6.802 30.199 1.00 28.76 ? 322 HIS A CD2 1 ATOM 1928 C CE1 . HIS A 1 241 ? -47.129 -5.419 31.371 1.00 27.43 ? 322 HIS A CE1 1 ATOM 1929 N NE2 . HIS A 1 241 ? -47.131 -6.217 30.314 1.00 26.39 ? 322 HIS A NE2 1 ATOM 1930 N N . SER A 1 242 ? -40.746 -6.690 30.662 1.00 22.97 ? 323 SER A N 1 ATOM 1931 C CA . SER A 1 242 ? -39.308 -6.828 30.895 1.00 24.30 ? 323 SER A CA 1 ATOM 1932 C C . SER A 1 242 ? -38.609 -5.624 31.526 1.00 23.95 ? 323 SER A C 1 ATOM 1933 O O . SER A 1 242 ? -37.380 -5.605 31.607 1.00 22.28 ? 323 SER A O 1 ATOM 1934 C CB . SER A 1 242 ? -38.598 -7.255 29.608 1.00 21.38 ? 323 SER A CB 1 ATOM 1935 O OG . SER A 1 242 ? -38.724 -6.257 28.618 1.00 21.31 ? 323 SER A OG 1 ATOM 1936 N N . ASP A 1 243 ? -39.372 -4.628 31.979 1.00 20.62 ? 324 ASP A N 1 ATOM 1937 C CA . ASP A 1 243 ? -38.786 -3.566 32.778 1.00 20.52 ? 324 ASP A CA 1 ATOM 1938 C C . ASP A 1 243 ? -38.741 -4.010 34.235 1.00 23.37 ? 324 ASP A C 1 ATOM 1939 O O . ASP A 1 243 ? -39.207 -5.100 34.572 1.00 23.30 ? 324 ASP A O 1 ATOM 1940 C CB . ASP A 1 243 ? -39.555 -2.245 32.616 1.00 21.23 ? 324 ASP A CB 1 ATOM 1941 C CG . ASP A 1 243 ? -38.666 -1.013 32.813 1.00 22.43 ? 324 ASP A CG 1 ATOM 1942 O OD1 . ASP A 1 243 ? -37.512 -1.155 33.289 1.00 21.55 ? 324 ASP A OD1 1 ATOM 1943 O OD2 . ASP A 1 243 ? -39.109 0.107 32.478 1.00 24.93 ? 324 ASP A OD2 1 ATOM 1944 N N . THR A 1 244 ? -38.157 -3.175 35.088 1.00 21.70 ? 325 THR A N 1 ATOM 1945 C CA . THR A 1 244 ? -38.089 -3.432 36.524 1.00 25.35 ? 325 THR A CA 1 ATOM 1946 C C . THR A 1 244 ? -38.354 -2.119 37.274 1.00 29.25 ? 325 THR A C 1 ATOM 1947 O O . THR A 1 244 ? -37.608 -1.153 37.128 1.00 27.15 ? 325 THR A O 1 ATOM 1948 C CB . THR A 1 244 ? -36.693 -3.967 36.929 1.00 24.91 ? 325 THR A CB 1 ATOM 1949 O OG1 . THR A 1 244 ? -36.373 -5.127 36.155 1.00 24.95 ? 325 THR A OG1 1 ATOM 1950 C CG2 . THR A 1 244 ? -36.652 -4.310 38.413 1.00 30.40 ? 325 THR A CG2 1 ATOM 1951 N N . PRO A 1 245 ? -39.411 -2.071 38.099 1.00 26.29 ? 326 PRO A N 1 ATOM 1952 C CA . PRO A 1 245 ? -40.336 -3.145 38.480 1.00 27.36 ? 326 PRO A CA 1 ATOM 1953 C C . PRO A 1 245 ? -41.311 -3.517 37.367 1.00 27.48 ? 326 PRO A C 1 ATOM 1954 O O . PRO A 1 245 ? -41.357 -2.870 36.322 1.00 27.85 ? 326 PRO A O 1 ATOM 1955 C CB . PRO A 1 245 ? -41.086 -2.536 39.669 1.00 28.88 ? 326 PRO A CB 1 ATOM 1956 C CG . PRO A 1 245 ? -41.082 -1.064 39.393 1.00 29.86 ? 326 PRO A CG 1 ATOM 1957 C CD . PRO A 1 245 ? -39.706 -0.816 38.814 1.00 28.26 ? 326 PRO A CD 1 ATOM 1958 N N . ARG A 1 246 ? -42.092 -4.569 37.589 1.00 26.87 ? 327 ARG A N 1 ATOM 1959 C CA . ARG A 1 246 ? -43.070 -4.999 36.605 1.00 29.21 ? 327 ARG A CA 1 ATOM 1960 C C . ARG A 1 246 ? -44.002 -5.987 37.279 1.00 31.29 ? 327 ARG A C 1 ATOM 1961 O O . ARG A 1 246 ? -43.676 -6.505 38.347 1.00 32.85 ? 327 ARG A O 1 ATOM 1962 C CB . ARG A 1 246 ? -42.372 -5.695 35.442 1.00 27.39 ? 327 ARG A CB 1 ATOM 1963 C CG . ARG A 1 246 ? -41.534 -6.895 35.885 1.00 26.43 ? 327 ARG A CG 1 ATOM 1964 C CD . ARG A 1 246 ? -41.055 -7.716 34.707 1.00 24.15 ? 327 ARG A CD 1 ATOM 1965 N NE . ARG A 1 246 ? -40.362 -8.928 35.152 1.00 24.53 ? 327 ARG A NE 1 ATOM 1966 C CZ . ARG A 1 246 ? -39.072 -8.972 35.477 1.00 24.01 ? 327 ARG A CZ 1 ATOM 1967 N NH1 . ARG A 1 246 ? -38.543 -10.115 35.881 1.00 25.98 ? 327 ARG A NH1 1 ATOM 1968 N NH2 . ARG A 1 246 ? -38.313 -7.879 35.401 1.00 21.59 ? 327 ARG A NH2 1 ATOM 1969 N N . PRO A 1 247 ? -45.159 -6.255 36.656 1.00 30.17 ? 328 PRO A N 1 ATOM 1970 C CA . PRO A 1 247 ? -46.063 -7.290 37.168 1.00 32.03 ? 328 PRO A CA 1 ATOM 1971 C C . PRO A 1 247 ? -45.497 -8.697 36.952 1.00 30.36 ? 328 PRO A C 1 ATOM 1972 O O . PRO A 1 247 ? -44.667 -8.925 36.064 1.00 29.34 ? 328 PRO A O 1 ATOM 1973 C CB . PRO A 1 247 ? -47.330 -7.111 36.314 1.00 31.19 ? 328 PRO A CB 1 ATOM 1974 C CG . PRO A 1 247 ? -47.211 -5.739 35.715 1.00 32.32 ? 328 PRO A CG 1 ATOM 1975 C CD . PRO A 1 247 ? -45.746 -5.533 35.515 1.00 26.94 ? 328 PRO A CD 1 ATOM 1976 N N . ALA A 1 248 ? -45.956 -9.640 37.766 1.00 31.33 ? 329 ALA A N 1 ATOM 1977 C CA . ALA A 1 248 ? -45.614 -11.045 37.580 1.00 31.90 ? 329 ALA A CA 1 ATOM 1978 C C . ALA A 1 248 ? -46.144 -11.545 36.234 1.00 31.76 ? 329 ALA A C 1 ATOM 1979 O O . ALA A 1 248 ? -47.123 -11.007 35.711 1.00 30.85 ? 329 ALA A O 1 ATOM 1980 C CB . ALA A 1 248 ? -46.193 -11.871 38.712 1.00 37.65 ? 329 ALA A CB 1 ATOM 1981 N N . ASP A 1 249 ? -45.504 -12.568 35.666 1.00 31.47 ? 330 ASP A N 1 ATOM 1982 C CA . ASP A 1 249 ? -46.001 -13.165 34.431 1.00 31.44 ? 330 ASP A CA 1 ATOM 1983 C C . ASP A 1 249 ? -47.272 -13.949 34.774 1.00 36.96 ? 330 ASP A C 1 ATOM 1984 O O . ASP A 1 249 ? -47.346 -14.542 35.846 1.00 39.08 ? 330 ASP A O 1 ATOM 1985 C CB . ASP A 1 249 ? -44.989 -14.151 33.846 1.00 31.60 ? 330 ASP A CB 1 ATOM 1986 C CG . ASP A 1 249 ? -43.700 -13.493 33.398 1.00 31.35 ? 330 ASP A CG 1 ATOM 1987 O OD1 . ASP A 1 249 ? -43.624 -12.245 33.350 1.00 29.80 ? 330 ASP A OD1 1 ATOM 1988 O OD2 . ASP A 1 249 ? -42.754 -14.251 33.091 1.00 30.23 ? 330 ASP A OD2 1 ATOM 1989 N N . PRO A 1 250 ? -48.269 -13.954 33.875 1.00 37.69 ? 331 PRO A N 1 ATOM 1990 C CA . PRO A 1 250 ? -48.333 -13.196 32.631 1.00 35.32 ? 331 PRO A CA 1 ATOM 1991 C C . PRO A 1 250 ? -49.031 -11.889 32.946 1.00 37.08 ? 331 PRO A C 1 ATOM 1992 O O . PRO A 1 250 ? -49.813 -11.818 33.903 1.00 39.01 ? 331 PRO A O 1 ATOM 1993 C CB . PRO A 1 250 ? -49.253 -14.049 31.749 1.00 40.04 ? 331 PRO A CB 1 ATOM 1994 C CG . PRO A 1 250 ? -49.908 -15.059 32.686 1.00 40.95 ? 331 PRO A CG 1 ATOM 1995 C CD . PRO A 1 250 ? -49.520 -14.702 34.086 1.00 39.00 ? 331 PRO A CD 1 ATOM 1996 N N . SER A 1 251 ? -48.752 -10.858 32.165 1.00 31.61 ? 332 SER A N 1 ATOM 1997 C CA . SER A 1 251 ? -49.389 -9.573 32.390 1.00 33.74 ? 332 SER A CA 1 ATOM 1998 C C . SER A 1 251 ? -50.167 -9.208 31.138 1.00 34.58 ? 332 SER A C 1 ATOM 1999 O O . SER A 1 251 ? -50.627 -10.089 30.406 1.00 33.73 ? 332 SER A O 1 ATOM 2000 C CB . SER A 1 251 ? -48.346 -8.502 32.733 1.00 32.39 ? 332 SER A CB 1 ATOM 2001 O OG . SER A 1 251 ? -48.968 -7.266 33.056 1.00 33.77 ? 332 SER A OG 1 ATOM 2002 N N . THR A 1 252 ? -50.308 -7.911 30.885 1.00 33.27 ? 333 THR A N 1 ATOM 2003 C CA . THR A 1 252 ? -51.093 -7.456 29.752 1.00 32.65 ? 333 THR A CA 1 ATOM 2004 C C . THR A 1 252 ? -50.302 -7.433 28.461 1.00 32.11 ? 333 THR A C 1 ATOM 2005 O O . THR A 1 252 ? -49.098 -7.146 28.459 1.00 31.59 ? 333 THR A O 1 ATOM 2006 C CB . THR A 1 252 ? -51.664 -6.052 30.007 1.00 36.86 ? 333 THR A CB 1 ATOM 2007 O OG1 . THR A 1 252 ? -50.618 -5.186 30.465 1.00 33.85 ? 333 THR A OG1 1 ATOM 2008 C CG2 . THR A 1 252 ? -52.754 -6.116 31.056 1.00 39.04 ? 333 THR A CG2 1 ATOM 2009 N N . MET A 1 253 ? -50.980 -7.755 27.364 1.00 33.04 ? 334 MET A N 1 ATOM 2010 C CA . MET A 1 253 ? -50.439 -7.532 26.035 1.00 31.52 ? 334 MET A CA 1 ATOM 2011 C C . MET A 1 253 ? -50.786 -6.116 25.622 1.00 31.88 ? 334 MET A C 1 ATOM 2012 O O . MET A 1 253 ? -51.946 -5.800 25.364 1.00 33.33 ? 334 MET A O 1 ATOM 2013 C CB . MET A 1 253 ? -51.013 -8.521 25.025 1.00 32.69 ? 334 MET A CB 1 ATOM 2014 C CG . MET A 1 253 ? -50.576 -8.235 23.601 1.00 36.44 ? 334 MET A CG 1 ATOM 2015 S SD . MET A 1 253 ? -51.460 -9.235 22.399 1.00 47.55 ? 334 MET A SD 1 ATOM 2016 C CE . MET A 1 253 ? -53.062 -8.431 22.422 1.00 44.13 ? 334 MET A CE 1 ATOM 2017 N N . SER A 1 254 ? -49.777 -5.250 25.586 1.00 34.79 ? 335 SER A N 1 ATOM 2018 C CA . SER A 1 254 ? -49.984 -3.852 25.248 1.00 34.27 ? 335 SER A CA 1 ATOM 2019 C C . SER A 1 254 ? -49.023 -3.439 24.147 1.00 34.60 ? 335 SER A C 1 ATOM 2020 O O . SER A 1 254 ? -47.917 -2.967 24.421 1.00 31.46 ? 335 SER A O 1 ATOM 2021 C CB . SER A 1 254 ? -49.772 -2.977 26.483 1.00 37.36 ? 335 SER A CB 1 ATOM 2022 O OG . SER A 1 254 ? -50.518 -3.471 27.579 1.00 39.67 ? 335 SER A OG 1 ATOM 2023 N N . CYS A 1 255 ? -49.447 -3.619 22.902 1.00 29.55 ? 337 CYS A N 1 ATOM 2024 C CA . CYS A 1 255 ? -48.616 -3.270 21.758 1.00 32.39 ? 337 CYS A CA 1 ATOM 2025 C C . CYS A 1 255 ? -48.533 -1.769 21.513 1.00 30.86 ? 337 CYS A C 1 ATOM 2026 O O . CYS A 1 255 ? -47.605 -1.300 20.863 1.00 29.73 ? 337 CYS A O 1 ATOM 2027 C CB . CYS A 1 255 ? -49.157 -3.931 20.494 1.00 31.95 ? 337 CYS A CB 1 ATOM 2028 S SG . CYS A 1 255 ? -49.259 -5.724 20.611 1.00 33.71 ? 337 CYS A SG 1 ATOM 2029 N N . ASP A 1 256 ? -49.513 -1.015 22.002 1.00 29.25 ? 338 ASP A N 1 ATOM 2030 C CA . ASP A 1 256 ? -49.677 0.363 21.540 1.00 29.24 ? 338 ASP A CA 1 ATOM 2031 C C . ASP A 1 256 ? -49.707 1.413 22.653 1.00 27.07 ? 338 ASP A C 1 ATOM 2032 O O . ASP A 1 256 ? -49.928 2.599 22.392 1.00 33.21 ? 338 ASP A O 1 ATOM 2033 C CB . ASP A 1 256 ? -50.960 0.466 20.701 1.00 36.58 ? 338 ASP A CB 1 ATOM 2034 C CG . ASP A 1 256 ? -51.023 -0.580 19.599 1.00 39.61 ? 338 ASP A CG 1 ATOM 2035 O OD1 . ASP A 1 256 ? -51.937 -1.436 19.638 1.00 48.22 ? 338 ASP A OD1 1 ATOM 2036 O OD2 . ASP A 1 256 ? -50.153 -0.555 18.701 1.00 38.98 ? 338 ASP A OD2 1 ATOM 2037 N N . SER A 1 257 ? -49.479 0.988 23.888 1.00 25.92 ? 339 SER A N 1 ATOM 2038 C CA . SER A 1 257 ? -49.572 1.890 25.027 1.00 27.40 ? 339 SER A CA 1 ATOM 2039 C C . SER A 1 257 ? -48.802 1.340 26.216 1.00 26.75 ? 339 SER A C 1 ATOM 2040 O O . SER A 1 257 ? -48.526 0.146 26.283 1.00 27.53 ? 339 SER A O 1 ATOM 2041 C CB . SER A 1 257 ? -51.039 2.135 25.413 1.00 33.40 ? 339 SER A CB 1 ATOM 2042 O OG . SER A 1 257 ? -51.782 0.922 25.418 1.00 39.17 ? 339 SER A OG 1 ATOM 2043 N N . PRO A 1 258 ? -48.437 2.216 27.156 1.00 29.09 ? 340 PRO A N 1 ATOM 2044 C CA . PRO A 1 258 ? -47.813 1.721 28.385 1.00 28.22 ? 340 PRO A CA 1 ATOM 2045 C C . PRO A 1 258 ? -48.776 0.794 29.126 1.00 31.19 ? 340 PRO A C 1 ATOM 2046 O O . PRO A 1 258 ? -50.004 0.931 28.995 1.00 29.37 ? 340 PRO A O 1 ATOM 2047 C CB . PRO A 1 258 ? -47.566 2.992 29.204 1.00 29.49 ? 340 PRO A CB 1 ATOM 2048 C CG . PRO A 1 258 ? -48.361 4.078 28.539 1.00 31.39 ? 340 PRO A CG 1 ATOM 2049 C CD . PRO A 1 258 ? -48.508 3.687 27.107 1.00 28.48 ? 340 PRO A CD 1 ATOM 2050 N N . SER A 1 259 ? -48.231 -0.142 29.894 1.00 27.34 ? 341 SER A N 1 ATOM 2051 C CA . SER A 1 259 ? -49.073 -1.103 30.606 1.00 28.87 ? 341 SER A CA 1 ATOM 2052 C C . SER A 1 259 ? -49.951 -0.404 31.643 1.00 34.68 ? 341 SER A C 1 ATOM 2053 O O . SER A 1 259 ? -50.965 -0.956 32.087 1.00 31.98 ? 341 SER A O 1 ATOM 2054 C CB . SER A 1 259 ? -48.199 -2.136 31.305 1.00 28.56 ? 341 SER A CB 1 ATOM 2055 O OG . SER A 1 259 ? -47.517 -1.547 32.394 1.00 27.21 ? 341 SER A OG 1 ATOM 2056 N N . ASN A 1 260 ? -49.561 0.814 32.016 1.00 28.93 ? 342 ASN A N 1 ATOM 2057 C CA . ASN A 1 260 ? -50.241 1.571 33.065 1.00 31.03 ? 342 ASN A CA 1 ATOM 2058 C C . ASN A 1 260 ? -50.178 0.901 34.438 1.00 36.97 ? 342 ASN A C 1 ATOM 2059 O O . ASN A 1 260 ? -51.029 1.132 35.293 1.00 38.40 ? 342 ASN A O 1 ATOM 2060 C CB . ASN A 1 260 ? -51.688 1.897 32.663 1.00 31.63 ? 342 ASN A CB 1 ATOM 2061 C CG . ASN A 1 260 ? -51.750 2.863 31.501 1.00 31.04 ? 342 ASN A CG 1 ATOM 2062 O OD1 . ASN A 1 260 ? -51.055 3.879 31.495 1.00 34.88 ? 342 ASN A OD1 1 ATOM 2063 N ND2 . ASN A 1 260 ? -52.556 2.543 30.499 1.00 34.79 ? 342 ASN A ND2 1 ATOM 2064 N N . VAL A 1 261 ? -49.145 0.092 34.653 1.00 37.39 ? 343 VAL A N 1 ATOM 2065 C CA . VAL A 1 261 ? -48.911 -0.517 35.956 1.00 36.55 ? 343 VAL A CA 1 ATOM 2066 C C . VAL A 1 261 ? -47.409 -0.734 36.183 1.00 39.14 ? 343 VAL A C 1 ATOM 2067 O O . VAL A 1 261 ? -46.673 -1.009 35.237 1.00 36.82 ? 343 VAL A O 1 ATOM 2068 C CB . VAL A 1 261 ? -49.643 -1.858 36.076 1.00 42.01 ? 343 VAL A CB 1 ATOM 2069 C CG1 . VAL A 1 261 ? -49.131 -2.836 35.019 1.00 37.68 ? 343 VAL A CG1 1 ATOM 2070 C CG2 . VAL A 1 261 ? -49.496 -2.420 37.478 1.00 43.72 ? 343 VAL A CG2 1 ATOM 2071 N N . ASN A 1 262 ? -46.973 -0.599 37.435 1.00 39.19 ? 344 ASN A N 1 ATOM 2072 C CA . ASN A 1 262 ? -45.558 -0.714 37.806 1.00 36.26 ? 344 ASN A CA 1 ATOM 2073 C C . ASN A 1 262 ? -44.607 0.031 36.868 1.00 38.03 ? 344 ASN A C 1 ATOM 2074 O O . ASN A 1 262 ? -43.574 -0.507 36.455 1.00 33.00 ? 344 ASN A O 1 ATOM 2075 C CB . ASN A 1 262 ? -45.147 -2.182 37.910 1.00 36.71 ? 344 ASN A CB 1 ATOM 2076 C CG . ASN A 1 262 ? -45.982 -2.945 38.916 1.00 40.31 ? 344 ASN A CG 1 ATOM 2077 O OD1 . ASN A 1 262 ? -45.857 -2.747 40.127 1.00 42.18 ? 344 ASN A OD1 1 ATOM 2078 N ND2 . ASN A 1 262 ? -46.848 -3.815 38.420 1.00 38.73 ? 344 ASN A ND2 1 ATOM 2079 N N . GLY A 1 263 ? -44.953 1.271 36.551 1.00 38.05 ? 345 GLY A N 1 ATOM 2080 C CA . GLY A 1 263 ? -44.230 2.028 35.547 1.00 39.31 ? 345 GLY A CA 1 ATOM 2081 C C . GLY A 1 263 ? -42.892 2.624 35.954 1.00 37.90 ? 345 GLY A C 1 ATOM 2082 O O . GLY A 1 263 ? -42.058 2.891 35.098 1.00 39.09 ? 345 GLY A O 1 ATOM 2083 N N . GLY A 1 264 ? -42.672 2.853 37.244 1.00 37.74 ? 346 GLY A N 1 ATOM 2084 C CA . GLY A 1 264 ? -41.461 3.534 37.671 1.00 37.10 ? 346 GLY A CA 1 ATOM 2085 C C . GLY A 1 264 ? -40.701 2.800 38.757 1.00 38.51 ? 346 GLY A C 1 ATOM 2086 O O . GLY A 1 264 ? -41.287 2.008 39.498 1.00 40.20 ? 346 GLY A O 1 ATOM 2087 N N . PRO A 1 265 ? -39.391 3.067 38.875 1.00 36.50 ? 347 PRO A N 1 ATOM 2088 C CA . PRO A 1 265 ? -38.616 4.011 38.061 1.00 30.63 ? 347 PRO A CA 1 ATOM 2089 C C . PRO A 1 265 ? -38.020 3.366 36.808 1.00 29.73 ? 347 PRO A C 1 ATOM 2090 O O . PRO A 1 265 ? -37.522 4.081 35.930 1.00 29.60 ? 347 PRO A O 1 ATOM 2091 C CB . PRO A 1 265 ? -37.491 4.410 39.007 1.00 33.40 ? 347 PRO A CB 1 ATOM 2092 C CG . PRO A 1 265 ? -37.216 3.151 39.766 1.00 35.78 ? 347 PRO A CG 1 ATOM 2093 C CD . PRO A 1 265 ? -38.564 2.471 39.940 1.00 34.00 ? 347 PRO A CD 1 ATOM 2094 N N . GLY A 1 266 ? -38.053 2.040 36.730 1.00 29.57 ? 348 GLY A N 1 ATOM 2095 C CA . GLY A 1 266 ? -37.539 1.343 35.560 1.00 24.15 ? 348 GLY A CA 1 ATOM 2096 C C . GLY A 1 266 ? -36.031 1.137 35.600 1.00 21.70 ? 348 GLY A C 1 ATOM 2097 O O . GLY A 1 266 ? -35.353 1.588 36.516 1.00 21.97 ? 348 GLY A O 1 ATOM 2098 N N . VAL A 1 267 ? -35.520 0.432 34.599 1.00 20.16 ? 349 VAL A N 1 ATOM 2099 C CA . VAL A 1 267 ? -34.087 0.191 34.471 1.00 18.54 ? 349 VAL A CA 1 ATOM 2100 C C . VAL A 1 267 ? -33.773 0.089 32.984 1.00 16.91 ? 349 VAL A C 1 ATOM 2101 O O . VAL A 1 267 ? -34.600 -0.342 32.208 1.00 18.18 ? 349 VAL A O 1 ATOM 2102 C CB . VAL A 1 267 ? -33.665 -1.131 35.185 1.00 19.98 ? 349 VAL A CB 1 ATOM 2103 C CG1 . VAL A 1 267 ? -34.282 -2.329 34.495 1.00 22.26 ? 349 VAL A CG1 1 ATOM 2104 C CG2 . VAL A 1 267 ? -32.143 -1.279 35.231 1.00 19.75 ? 349 VAL A CG2 1 ATOM 2105 N N . LYS A 1 268 ? -32.576 0.487 32.565 1.00 16.38 ? 350 LYS A N 1 ATOM 2106 C CA . LYS A 1 268 ? -32.209 0.293 31.164 1.00 15.13 ? 350 LYS A CA 1 ATOM 2107 C C . LYS A 1 268 ? -32.146 -1.196 30.829 1.00 15.89 ? 350 LYS A C 1 ATOM 2108 O O . LYS A 1 268 ? -31.561 -1.972 31.574 1.00 17.10 ? 350 LYS A O 1 ATOM 2109 C CB . LYS A 1 268 ? -30.848 0.954 30.868 1.00 15.83 ? 350 LYS A CB 1 ATOM 2110 C CG . LYS A 1 268 ? -30.331 0.718 29.451 1.00 14.96 ? 350 LYS A CG 1 ATOM 2111 C CD . LYS A 1 268 ? -28.933 1.326 29.276 1.00 13.90 ? 350 LYS A CD 1 ATOM 2112 C CE . LYS A 1 268 ? -28.377 1.061 27.890 1.00 14.04 ? 350 LYS A CE 1 ATOM 2113 N NZ . LYS A 1 268 ? -29.257 1.582 26.805 1.00 12.37 ? 350 LYS A NZ 1 ATOM 2114 N N . GLY A 1 269 ? -32.732 -1.582 29.698 1.00 15.45 ? 351 GLY A N 1 ATOM 2115 C CA . GLY A 1 269 ? -32.707 -2.967 29.254 1.00 15.37 ? 351 GLY A CA 1 ATOM 2116 C C . GLY A 1 269 ? -32.774 -3.044 27.746 1.00 17.63 ? 351 GLY A C 1 ATOM 2117 O O . GLY A 1 269 ? -32.661 -2.026 27.059 1.00 17.21 ? 351 GLY A O 1 ATOM 2118 N N . PHE A 1 270 ? -32.971 -4.244 27.221 1.00 17.56 ? 352 PHE A N 1 ATOM 2119 C CA . PHE A 1 270 ? -32.848 -4.448 25.791 1.00 16.38 ? 352 PHE A CA 1 ATOM 2120 C C . PHE A 1 270 ? -33.704 -5.627 25.369 1.00 17.68 ? 352 PHE A C 1 ATOM 2121 O O . PHE A 1 270 ? -34.223 -6.383 26.206 1.00 18.80 ? 352 PHE A O 1 ATOM 2122 C CB . PHE A 1 270 ? -31.367 -4.738 25.434 1.00 15.06 ? 352 PHE A CB 1 ATOM 2123 C CG . PHE A 1 270 ? -30.934 -6.119 25.847 1.00 13.44 ? 352 PHE A CG 1 ATOM 2124 C CD1 . PHE A 1 270 ? -31.089 -7.198 24.990 1.00 14.57 ? 352 PHE A CD1 1 ATOM 2125 C CD2 . PHE A 1 270 ? -30.435 -6.345 27.126 1.00 15.57 ? 352 PHE A CD2 1 ATOM 2126 C CE1 . PHE A 1 270 ? -30.752 -8.485 25.395 1.00 15.09 ? 352 PHE A CE1 1 ATOM 2127 C CE2 . PHE A 1 270 ? -30.089 -7.639 27.534 1.00 14.80 ? 352 PHE A CE2 1 ATOM 2128 C CZ . PHE A 1 270 ? -30.247 -8.698 26.669 1.00 15.11 ? 352 PHE A CZ 1 ATOM 2129 N N . GLY A 1 271 ? -33.846 -5.794 24.061 1.00 17.11 ? 353 GLY A N 1 ATOM 2130 C CA . GLY A 1 271 ? -34.446 -6.991 23.515 1.00 20.66 ? 353 GLY A CA 1 ATOM 2131 C C . GLY A 1 271 ? -34.041 -7.140 22.069 1.00 17.51 ? 353 GLY A C 1 ATOM 2132 O O . GLY A 1 271 ? -33.400 -6.252 21.509 1.00 18.90 ? 353 GLY A O 1 ATOM 2133 N N . PHE A 1 272 ? -34.407 -8.269 21.468 1.00 16.83 ? 354 PHE A N 1 ATOM 2134 C CA . PHE A 1 272 ? -34.181 -8.492 20.047 1.00 18.44 ? 354 PHE A CA 1 ATOM 2135 C C . PHE A 1 272 ? -35.432 -9.078 19.391 1.00 21.86 ? 354 PHE A C 1 ATOM 2136 O O . PHE A 1 272 ? -35.885 -10.158 19.759 1.00 23.07 ? 354 PHE A O 1 ATOM 2137 C CB . PHE A 1 272 ? -33.005 -9.447 19.815 1.00 17.46 ? 354 PHE A CB 1 ATOM 2138 C CG . PHE A 1 272 ? -31.668 -8.910 20.296 1.00 18.67 ? 354 PHE A CG 1 ATOM 2139 C CD1 . PHE A 1 272 ? -30.992 -7.922 19.588 1.00 15.17 ? 354 PHE A CD1 1 ATOM 2140 C CD2 . PHE A 1 272 ? -31.082 -9.422 21.450 1.00 19.41 ? 354 PHE A CD2 1 ATOM 2141 C CE1 . PHE A 1 272 ? -29.759 -7.444 20.034 1.00 15.50 ? 354 PHE A CE1 1 ATOM 2142 C CE2 . PHE A 1 272 ? -29.856 -8.945 21.901 1.00 15.67 ? 354 PHE A CE2 1 ATOM 2143 C CZ . PHE A 1 272 ? -29.195 -7.950 21.193 1.00 15.15 ? 354 PHE A CZ 1 ATOM 2144 N N . LYS A 1 273 ? -35.978 -8.356 18.422 1.00 20.59 ? 355 LYS A N 1 ATOM 2145 C CA . LYS A 1 273 ? -37.065 -8.882 17.609 1.00 25.26 ? 355 LYS A CA 1 ATOM 2146 C C . LYS A 1 273 ? -36.512 -10.027 16.785 1.00 24.09 ? 355 LYS A C 1 ATOM 2147 O O . LYS A 1 273 ? -35.405 -9.931 16.264 1.00 24.74 ? 355 LYS A O 1 ATOM 2148 C CB . LYS A 1 273 ? -37.605 -7.797 16.674 1.00 23.35 ? 355 LYS A CB 1 ATOM 2149 C CG . LYS A 1 273 ? -38.666 -8.282 15.682 1.00 27.00 ? 355 LYS A CG 1 ATOM 2150 C CD . LYS A 1 273 ? -39.018 -7.170 14.685 1.00 27.03 ? 355 LYS A CD 1 ATOM 2151 C CE . LYS A 1 273 ? -40.076 -7.625 13.673 1.00 28.61 ? 355 LYS A CE 1 ATOM 2152 N NZ . LYS A 1 273 ? -39.578 -8.683 12.746 1.00 31.11 ? 355 LYS A NZ 1 ATOM 2153 N N . ALA A 1 274 ? -37.274 -11.111 16.677 1.00 24.13 ? 356 ALA A N 1 ATOM 2154 C CA . ALA A 1 274 ? -36.878 -12.253 15.859 1.00 24.66 ? 356 ALA A CA 1 ATOM 2155 C C . ALA A 1 274 ? -38.094 -12.821 15.137 1.00 25.35 ? 356 ALA A C 1 ATOM 2156 O O . ALA A 1 274 ? -38.861 -13.583 15.715 1.00 27.11 ? 356 ALA A O 1 ATOM 2157 C CB . ALA A 1 274 ? -36.237 -13.335 16.725 1.00 24.71 ? 356 ALA A CB 1 ATOM 2158 N N . GLY A 1 275 ? -38.264 -12.454 13.875 1.00 28.72 ? 357 GLY A N 1 ATOM 2159 C CA . GLY A 1 275 ? -39.478 -12.815 13.167 1.00 32.90 ? 357 GLY A CA 1 ATOM 2160 C C . GLY A 1 275 ? -40.632 -12.135 13.877 1.00 32.40 ? 357 GLY A C 1 ATOM 2161 O O . GLY A 1 275 ? -40.597 -10.926 14.098 1.00 30.18 ? 357 GLY A O 1 ATOM 2162 N N . ASP A 1 276 ? -41.650 -12.907 14.243 1.00 32.07 ? 358 ASP A N 1 ATOM 2163 C CA . ASP A 1 276 ? -42.759 -12.376 15.025 1.00 30.41 ? 358 ASP A CA 1 ATOM 2164 C C . ASP A 1 276 ? -42.473 -12.508 16.516 1.00 30.92 ? 358 ASP A C 1 ATOM 2165 O O . ASP A 1 276 ? -43.241 -12.031 17.350 1.00 29.01 ? 358 ASP A O 1 ATOM 2166 C CB . ASP A 1 276 ? -44.060 -13.109 14.686 1.00 35.73 ? 358 ASP A CB 1 ATOM 2167 C CG . ASP A 1 276 ? -44.517 -12.863 13.260 1.00 43.51 ? 358 ASP A CG 1 ATOM 2168 O OD1 . ASP A 1 276 ? -44.133 -11.823 12.677 1.00 44.81 ? 358 ASP A OD1 1 ATOM 2169 O OD2 . ASP A 1 276 ? -45.268 -13.713 12.723 1.00 43.51 ? 358 ASP A OD2 1 ATOM 2170 N N . ASP A 1 277 ? -41.357 -13.154 16.850 1.00 27.52 ? 359 ASP A N 1 ATOM 2171 C CA . ASP A 1 277 ? -41.006 -13.396 18.245 1.00 24.75 ? 359 ASP A CA 1 ATOM 2172 C C . ASP A 1 277 ? -40.141 -12.272 18.799 1.00 23.49 ? 359 ASP A C 1 ATOM 2173 O O . ASP A 1 277 ? -39.709 -11.392 18.065 1.00 25.42 ? 359 ASP A O 1 ATOM 2174 C CB . ASP A 1 277 ? -40.235 -14.713 18.378 1.00 25.56 ? 359 ASP A CB 1 ATOM 2175 C CG . ASP A 1 277 ? -40.899 -15.860 17.640 1.00 31.22 ? 359 ASP A CG 1 ATOM 2176 O OD1 . ASP A 1 277 ? -42.137 -16.025 17.757 1.00 33.63 ? 359 ASP A OD1 1 ATOM 2177 O OD2 . ASP A 1 277 ? -40.179 -16.601 16.946 1.00 32.28 ? 359 ASP A OD2 1 ATOM 2178 N N . VAL A 1 278 ? -39.908 -12.297 20.103 1.00 22.38 ? 360 VAL A N 1 ATOM 2179 C CA . VAL A 1 278 ? -38.993 -11.325 20.706 1.00 23.92 ? 360 VAL A CA 1 ATOM 2180 C C . VAL A 1 278 ? -38.182 -11.930 21.844 1.00 21.85 ? 360 VAL A C 1 ATOM 2181 O O . VAL A 1 278 ? -38.707 -12.656 22.688 1.00 22.31 ? 360 VAL A O 1 ATOM 2182 C CB . VAL A 1 278 ? -39.733 -10.062 21.210 1.00 23.96 ? 360 VAL A CB 1 ATOM 2183 C CG1 . VAL A 1 278 ? -40.673 -10.400 22.354 1.00 24.15 ? 360 VAL A CG1 1 ATOM 2184 C CG2 . VAL A 1 278 ? -38.727 -8.986 21.642 1.00 22.47 ? 360 VAL A CG2 1 ATOM 2185 N N . TRP A 1 279 ? -36.887 -11.637 21.862 1.00 22.13 ? 361 TRP A N 1 ATOM 2186 C CA . TRP A 1 279 ? -36.074 -11.952 23.022 1.00 22.17 ? 361 TRP A CA 1 ATOM 2187 C C . TRP A 1 279 ? -36.006 -10.751 23.946 1.00 22.25 ? 361 TRP A C 1 ATOM 2188 O O . TRP A 1 279 ? -35.787 -9.626 23.492 1.00 20.64 ? 361 TRP A O 1 ATOM 2189 C CB . TRP A 1 279 ? -34.659 -12.297 22.585 1.00 20.61 ? 361 TRP A CB 1 ATOM 2190 C CG . TRP A 1 279 ? -34.539 -13.571 21.843 1.00 22.53 ? 361 TRP A CG 1 ATOM 2191 C CD1 . TRP A 1 279 ? -34.827 -13.789 20.529 1.00 22.52 ? 361 TRP A CD1 1 ATOM 2192 C CD2 . TRP A 1 279 ? -34.032 -14.808 22.356 1.00 22.25 ? 361 TRP A CD2 1 ATOM 2193 N NE1 . TRP A 1 279 ? -34.548 -15.090 20.195 1.00 24.23 ? 361 TRP A NE1 1 ATOM 2194 C CE2 . TRP A 1 279 ? -34.062 -15.738 21.300 1.00 23.42 ? 361 TRP A CE2 1 ATOM 2195 C CE3 . TRP A 1 279 ? -33.563 -15.219 23.610 1.00 20.25 ? 361 TRP A CE3 1 ATOM 2196 C CZ2 . TRP A 1 279 ? -33.634 -17.055 21.455 1.00 23.16 ? 361 TRP A CZ2 1 ATOM 2197 C CZ3 . TRP A 1 279 ? -33.141 -16.527 23.764 1.00 19.98 ? 361 TRP A CZ3 1 ATOM 2198 C CH2 . TRP A 1 279 ? -33.186 -17.430 22.692 1.00 23.43 ? 361 TRP A CH2 1 ATOM 2199 N N . LEU A 1 280 ? -36.166 -10.976 25.244 1.00 17.88 ? 362 LEU A N 1 ATOM 2200 C CA . LEU A 1 280 ? -36.161 -9.863 26.187 1.00 17.32 ? 362 LEU A CA 1 ATOM 2201 C C . LEU A 1 280 ? -35.247 -10.141 27.365 1.00 17.85 ? 362 LEU A C 1 ATOM 2202 O O . LEU A 1 280 ? -35.352 -11.176 28.014 1.00 20.12 ? 362 LEU A O 1 ATOM 2203 C CB . LEU A 1 280 ? -37.585 -9.570 26.690 1.00 19.75 ? 362 LEU A CB 1 ATOM 2204 C CG . LEU A 1 280 ? -38.561 -9.018 25.655 1.00 21.76 ? 362 LEU A CG 1 ATOM 2205 C CD1 . LEU A 1 280 ? -40.036 -9.198 26.072 1.00 24.49 ? 362 LEU A CD1 1 ATOM 2206 C CD2 . LEU A 1 280 ? -38.258 -7.545 25.370 1.00 20.65 ? 362 LEU A CD2 1 ATOM 2207 N N . GLY A 1 281 ? -34.319 -9.227 27.626 1.00 18.56 ? 363 GLY A N 1 ATOM 2208 C CA . GLY A 1 281 ? -33.535 -9.316 28.834 1.00 19.14 ? 363 GLY A CA 1 ATOM 2209 C C . GLY A 1 281 ? -34.346 -8.776 29.986 1.00 19.83 ? 363 GLY A C 1 ATOM 2210 O O . GLY A 1 281 ? -35.191 -7.906 29.793 1.00 20.27 ? 363 GLY A O 1 ATOM 2211 N N . ARG A 1 282 ? -34.095 -9.276 31.189 1.00 19.05 ? 364 ARG A N 1 ATOM 2212 C CA . ARG A 1 282 ? -34.706 -8.679 32.370 1.00 20.13 ? 364 ARG A CA 1 ATOM 2213 C C . ARG A 1 282 ? -34.056 -9.194 33.642 1.00 19.28 ? 364 ARG A C 1 ATOM 2214 O O . ARG A 1 282 ? -33.462 -10.269 33.645 1.00 20.29 ? 364 ARG A O 1 ATOM 2215 C CB . ARG A 1 282 ? -36.226 -8.927 32.393 1.00 23.43 ? 364 ARG A CB 1 ATOM 2216 C CG . ARG A 1 282 ? -36.639 -10.386 32.216 1.00 22.93 ? 364 ARG A CG 1 ATOM 2217 C CD . ARG A 1 282 ? -38.177 -10.530 32.221 1.00 27.33 ? 364 ARG A CD 1 ATOM 2218 N NE . ARG A 1 282 ? -38.584 -11.891 32.564 1.00 27.88 ? 364 ARG A NE 1 ATOM 2219 C CZ . ARG A 1 282 ? -39.847 -12.306 32.658 1.00 27.75 ? 364 ARG A CZ 1 ATOM 2220 N NH1 . ARG A 1 282 ? -40.852 -11.470 32.417 1.00 26.19 ? 364 ARG A NH1 1 ATOM 2221 N NH2 . ARG A 1 282 ? -40.103 -13.569 32.986 1.00 30.76 ? 364 ARG A NH2 1 ATOM 2222 N N . THR A 1 283 ? -34.154 -8.406 34.707 1.00 21.22 ? 365 THR A N 1 ATOM 2223 C CA . THR A 1 283 ? -33.761 -8.849 36.032 1.00 20.22 ? 365 THR A CA 1 ATOM 2224 C C . THR A 1 283 ? -34.632 -10.040 36.409 1.00 23.35 ? 365 THR A C 1 ATOM 2225 O O . THR A 1 283 ? -35.759 -10.167 35.941 1.00 25.74 ? 365 THR A O 1 ATOM 2226 C CB . THR A 1 283 ? -34.002 -7.750 37.076 1.00 24.16 ? 365 THR A CB 1 ATOM 2227 O OG1 . THR A 1 283 ? -35.391 -7.388 37.066 1.00 25.02 ? 365 THR A OG1 1 ATOM 2228 C CG2 . THR A 1 283 ? -33.148 -6.503 36.787 1.00 23.41 ? 365 THR A CG2 1 ATOM 2229 N N . VAL A 1 284 ? -34.108 -10.924 37.243 1.00 22.60 ? 366 VAL A N 1 ATOM 2230 C CA . VAL A 1 284 ? -34.916 -12.048 37.691 1.00 23.59 ? 366 VAL A CA 1 ATOM 2231 C C . VAL A 1 284 ? -36.026 -11.534 38.608 1.00 27.37 ? 366 VAL A C 1 ATOM 2232 O O . VAL A 1 284 ? -37.198 -11.906 38.463 1.00 27.82 ? 366 VAL A O 1 ATOM 2233 C CB . VAL A 1 284 ? -34.070 -13.110 38.396 1.00 26.06 ? 366 VAL A CB 1 ATOM 2234 C CG1 . VAL A 1 284 ? -34.974 -14.097 39.107 1.00 26.19 ? 366 VAL A CG1 1 ATOM 2235 C CG2 . VAL A 1 284 ? -33.185 -13.823 37.379 1.00 22.26 ? 366 VAL A CG2 1 ATOM 2236 N N . SER A 1 285 ? -35.646 -10.678 39.548 1.00 25.82 ? 367 SER A N 1 ATOM 2237 C CA . SER A 1 285 ? -36.612 -10.044 40.433 1.00 30.25 ? 367 SER A CA 1 ATOM 2238 C C . SER A 1 285 ? -37.550 -9.134 39.648 1.00 31.79 ? 367 SER A C 1 ATOM 2239 O O . SER A 1 285 ? -37.130 -8.485 38.688 1.00 28.98 ? 367 SER A O 1 ATOM 2240 C CB . SER A 1 285 ? -35.890 -9.244 41.510 1.00 30.74 ? 367 SER A CB 1 ATOM 2241 O OG . SER A 1 285 ? -36.811 -8.516 42.300 1.00 34.04 ? 367 SER A OG 1 ATOM 2242 N N . THR A 1 286 ? -38.819 -9.096 40.056 1.00 26.94 ? 368 THR A N 1 ATOM 2243 C CA . THR A 1 286 ? -39.811 -8.224 39.432 1.00 29.06 ? 368 THR A CA 1 ATOM 2244 C C . THR A 1 286 ? -39.823 -6.868 40.111 1.00 27.82 ? 368 THR A C 1 ATOM 2245 O O . THR A 1 286 ? -40.495 -5.944 39.652 1.00 28.82 ? 368 THR A O 1 ATOM 2246 C CB . THR A 1 286 ? -41.241 -8.800 39.560 1.00 31.86 ? 368 THR A CB 1 ATOM 2247 O OG1 . THR A 1 286 ? -41.537 -9.027 40.944 1.00 33.32 ? 368 THR A OG1 1 ATOM 2248 C CG2 . THR A 1 286 ? -41.385 -10.096 38.777 1.00 30.79 ? 368 THR A CG2 1 ATOM 2249 N N . SER A 1 287 ? -39.095 -6.750 41.215 1.00 26.80 ? 369 SER A N 1 ATOM 2250 C CA . SER A 1 287 ? -39.083 -5.519 41.985 1.00 29.60 ? 369 SER A CA 1 ATOM 2251 C C . SER A 1 287 ? -37.711 -4.850 42.044 1.00 28.54 ? 369 SER A C 1 ATOM 2252 O O . SER A 1 287 ? -37.622 -3.620 42.061 1.00 31.55 ? 369 SER A O 1 ATOM 2253 C CB . SER A 1 287 ? -39.571 -5.781 43.408 1.00 37.90 ? 369 SER A CB 1 ATOM 2254 O OG . SER A 1 287 ? -38.704 -6.678 44.075 1.00 37.05 ? 369 SER A OG 1 ATOM 2255 N N . GLY A 1 288 ? -36.650 -5.651 42.087 1.00 30.80 ? 370 GLY A N 1 ATOM 2256 C CA . GLY A 1 288 ? -35.318 -5.107 42.287 1.00 30.22 ? 370 GLY A CA 1 ATOM 2257 C C . GLY A 1 288 ? -34.321 -5.425 41.189 1.00 25.23 ? 370 GLY A C 1 ATOM 2258 O O . GLY A 1 288 ? -34.602 -6.195 40.273 1.00 24.75 ? 370 GLY A O 1 ATOM 2259 N N . ARG A 1 289 ? -33.148 -4.804 41.287 1.00 29.99 ? 371 ARG A N 1 ATOM 2260 C CA . ARG A 1 289 ? -32.079 -5.016 40.321 1.00 25.70 ? 371 ARG A CA 1 ATOM 2261 C C . ARG A 1 289 ? -31.186 -6.175 40.748 1.00 27.38 ? 371 ARG A C 1 ATOM 2262 O O . ARG A 1 289 ? -29.990 -6.001 41.030 1.00 22.58 ? 371 ARG A O 1 ATOM 2263 C CB . ARG A 1 289 ? -31.276 -3.724 40.132 1.00 23.07 ? 371 ARG A CB 1 ATOM 2264 C CG . ARG A 1 289 ? -32.145 -2.600 39.576 1.00 23.28 ? 371 ARG A CG 1 ATOM 2265 C CD . ARG A 1 289 ? -31.401 -1.287 39.440 1.00 23.40 ? 371 ARG A CD 1 ATOM 2266 N NE . ARG A 1 289 ? -32.200 -0.306 38.711 1.00 21.64 ? 371 ARG A NE 1 ATOM 2267 C CZ . ARG A 1 289 ? -31.775 0.915 38.400 1.00 21.45 ? 371 ARG A CZ 1 ATOM 2268 N NH1 . ARG A 1 289 ? -30.558 1.308 38.770 1.00 20.99 ? 371 ARG A NH1 1 ATOM 2269 N NH2 . ARG A 1 289 ? -32.564 1.743 37.729 1.00 22.19 ? 371 ARG A NH2 1 ATOM 2270 N N . SER A 1 290 ? -31.793 -7.357 40.812 1.00 22.40 ? 372 SER A N 1 ATOM 2271 C CA . SER A 1 290 ? -31.070 -8.586 41.116 1.00 25.84 ? 372 SER A CA 1 ATOM 2272 C C . SER A 1 290 ? -31.385 -9.658 40.093 1.00 24.70 ? 372 SER A C 1 ATOM 2273 O O . SER A 1 290 ? -32.517 -9.763 39.593 1.00 23.96 ? 372 SER A O 1 ATOM 2274 C CB . SER A 1 290 ? -31.408 -9.082 42.521 1.00 31.25 ? 372 SER A CB 1 ATOM 2275 O OG . SER A 1 290 ? -32.796 -9.301 42.639 1.00 32.23 ? 372 SER A OG 1 ATOM 2276 N N . GLY A 1 291 ? -30.363 -10.450 39.783 1.00 24.14 ? 373 GLY A N 1 ATOM 2277 C CA . GLY A 1 291 ? -30.463 -11.520 38.816 1.00 22.83 ? 373 GLY A CA 1 ATOM 2278 C C . GLY A 1 291 ? -30.516 -10.988 37.405 1.00 23.18 ? 373 GLY A C 1 ATOM 2279 O O . GLY A 1 291 ? -30.767 -9.807 37.179 1.00 20.14 ? 373 GLY A O 1 ATOM 2280 N N . PHE A 1 292 ? -30.252 -11.861 36.449 1.00 22.46 ? 374 PHE A N 1 ATOM 2281 C CA . PHE A 1 292 ? -30.485 -11.524 35.062 1.00 22.11 ? 374 PHE A CA 1 ATOM 2282 C C . PHE A 1 292 ? -30.826 -12.772 34.270 1.00 21.34 ? 374 PHE A C 1 ATOM 2283 O O . PHE A 1 292 ? -30.155 -13.799 34.369 1.00 22.02 ? 374 PHE A O 1 ATOM 2284 C CB . PHE A 1 292 ? -29.292 -10.773 34.416 1.00 20.43 ? 374 PHE A CB 1 ATOM 2285 C CG . PHE A 1 292 ? -29.690 -10.042 33.171 1.00 17.06 ? 374 PHE A CG 1 ATOM 2286 C CD1 . PHE A 1 292 ? -30.266 -8.787 33.254 1.00 19.35 ? 374 PHE A CD1 1 ATOM 2287 C CD2 . PHE A 1 292 ? -29.600 -10.652 31.933 1.00 19.27 ? 374 PHE A CD2 1 ATOM 2288 C CE1 . PHE A 1 292 ? -30.704 -8.131 32.128 1.00 19.03 ? 374 PHE A CE1 1 ATOM 2289 C CE2 . PHE A 1 292 ? -30.033 -9.981 30.792 1.00 16.66 ? 374 PHE A CE2 1 ATOM 2290 C CZ . PHE A 1 292 ? -30.585 -8.722 30.902 1.00 16.13 ? 374 PHE A CZ 1 ATOM 2291 N N . GLU A 1 293 ? -31.885 -12.675 33.481 1.00 20.13 ? 375 GLU A N 1 ATOM 2292 C CA . GLU A 1 293 ? -32.298 -13.763 32.630 1.00 18.59 ? 375 GLU A CA 1 ATOM 2293 C C . GLU A 1 293 ? -32.650 -13.164 31.282 1.00 19.67 ? 375 GLU A C 1 ATOM 2294 O O . GLU A 1 293 ? -32.896 -11.959 31.172 1.00 20.29 ? 375 GLU A O 1 ATOM 2295 C CB . GLU A 1 293 ? -33.532 -14.461 33.227 1.00 21.53 ? 375 GLU A CB 1 ATOM 2296 C CG . GLU A 1 293 ? -34.760 -13.560 33.304 1.00 23.36 ? 375 GLU A CG 1 ATOM 2297 C CD . GLU A 1 293 ? -35.944 -14.214 33.997 1.00 30.73 ? 375 GLU A CD 1 ATOM 2298 O OE1 . GLU A 1 293 ? -35.742 -15.220 34.708 1.00 32.28 ? 375 GLU A OE1 1 ATOM 2299 O OE2 . GLU A 1 293 ? -37.084 -13.711 33.840 1.00 32.83 ? 375 GLU A OE2 1 ATOM 2300 N N . ILE A 1 294 ? -32.661 -14.001 30.257 1.00 21.05 ? 376 ILE A N 1 ATOM 2301 C CA . ILE A 1 294 ? -33.208 -13.599 28.972 1.00 21.58 ? 376 ILE A CA 1 ATOM 2302 C C . ILE A 1 294 ? -34.252 -14.607 28.470 1.00 24.46 ? 376 ILE A C 1 ATOM 2303 O O . ILE A 1 294 ? -34.027 -15.822 28.474 1.00 21.63 ? 376 ILE A O 1 ATOM 2304 C CB . ILE A 1 294 ? -32.102 -13.357 27.927 1.00 20.03 ? 376 ILE A CB 1 ATOM 2305 C CG1 . ILE A 1 294 ? -32.718 -12.815 26.628 1.00 20.29 ? 376 ILE A CG1 1 ATOM 2306 C CG2 . ILE A 1 294 ? -31.262 -14.639 27.722 1.00 20.70 ? 376 ILE A CG2 1 ATOM 2307 C CD1 . ILE A 1 294 ? -31.693 -12.260 25.656 1.00 21.40 ? 376 ILE A CD1 1 ATOM 2308 N N . ILE A 1 295 ? -35.401 -14.098 28.042 1.00 23.27 ? 377 ILE A N 1 ATOM 2309 C CA . ILE A 1 295 ? -36.490 -14.971 27.615 1.00 21.67 ? 377 ILE A CA 1 ATOM 2310 C C . ILE A 1 295 ? -36.772 -14.824 26.128 1.00 24.02 ? 377 ILE A C 1 ATOM 2311 O O . ILE A 1 295 ? -36.570 -13.754 25.549 1.00 23.51 ? 377 ILE A O 1 ATOM 2312 C CB . ILE A 1 295 ? -37.786 -14.682 28.412 1.00 25.95 ? 377 ILE A CB 1 ATOM 2313 C CG1 . ILE A 1 295 ? -38.255 -13.234 28.198 1.00 23.86 ? 377 ILE A CG1 1 ATOM 2314 C CG2 . ILE A 1 295 ? -37.568 -14.935 29.899 1.00 24.58 ? 377 ILE A CG2 1 ATOM 2315 C CD1 . ILE A 1 295 ? -39.626 -12.942 28.840 1.00 26.68 ? 377 ILE A CD1 1 ATOM 2316 N N . LYS A 1 296 ? -37.236 -15.897 25.500 1.00 22.96 ? 378 LYS A N 1 ATOM 2317 C CA . LYS A 1 296 ? -37.774 -15.772 24.158 1.00 22.66 ? 378 LYS A CA 1 ATOM 2318 C C . LYS A 1 296 ? -39.267 -15.977 24.253 1.00 27.89 ? 378 LYS A C 1 ATOM 2319 O O . LYS A 1 296 ? -39.715 -16.975 24.810 1.00 27.98 ? 378 LYS A O 1 ATOM 2320 C CB . LYS A 1 296 ? -37.192 -16.803 23.198 1.00 24.76 ? 378 LYS A CB 1 ATOM 2321 C CG . LYS A 1 296 ? -37.586 -16.512 21.766 1.00 26.75 ? 378 LYS A CG 1 ATOM 2322 C CD . LYS A 1 296 ? -37.161 -17.596 20.800 1.00 29.20 ? 378 LYS A CD 1 ATOM 2323 C CE . LYS A 1 296 ? -37.462 -17.170 19.371 1.00 30.61 ? 378 LYS A CE 1 ATOM 2324 N NZ . LYS A 1 296 ? -37.208 -18.255 18.379 1.00 38.21 ? 378 LYS A NZ 1 ATOM 2325 N N . VAL A 1 297 ? -40.027 -15.029 23.717 1.00 22.44 ? 379 VAL A N 1 ATOM 2326 C CA . VAL A 1 297 ? -41.484 -15.108 23.751 1.00 24.20 ? 379 VAL A CA 1 ATOM 2327 C C . VAL A 1 297 ? -41.999 -15.364 22.348 1.00 25.75 ? 379 VAL A C 1 ATOM 2328 O O . VAL A 1 297 ? -41.791 -14.560 21.438 1.00 24.72 ? 379 VAL A O 1 ATOM 2329 C CB . VAL A 1 297 ? -42.087 -13.811 24.301 1.00 26.19 ? 379 VAL A CB 1 ATOM 2330 C CG1 . VAL A 1 297 ? -43.624 -13.903 24.336 1.00 24.28 ? 379 VAL A CG1 1 ATOM 2331 C CG2 . VAL A 1 297 ? -41.520 -13.522 25.694 1.00 23.46 ? 379 VAL A CG2 1 ATOM 2332 N N . THR A 1 298 ? -42.673 -16.496 22.167 1.00 27.88 ? 380 THR A N 1 ATOM 2333 C CA . THR A 1 298 ? -43.216 -16.829 20.866 1.00 30.23 ? 380 THR A CA 1 ATOM 2334 C C . THR A 1 298 ? -44.287 -15.803 20.505 1.00 32.97 ? 380 THR A C 1 ATOM 2335 O O . THR A 1 298 ? -45.169 -15.503 21.313 1.00 34.76 ? 380 THR A O 1 ATOM 2336 C CB . THR A 1 298 ? -43.805 -18.250 20.865 1.00 37.59 ? 380 THR A CB 1 ATOM 2337 O OG1 . THR A 1 298 ? -42.792 -19.172 21.288 1.00 35.68 ? 380 THR A OG1 1 ATOM 2338 C CG2 . THR A 1 298 ? -44.283 -18.634 19.472 1.00 36.96 ? 380 THR A CG2 1 ATOM 2339 N N . GLU A 1 299 ? -44.188 -15.267 19.293 1.00 28.74 ? 381 GLU A N 1 ATOM 2340 C CA . GLU A 1 299 ? -45.075 -14.208 18.817 1.00 31.54 ? 381 GLU A CA 1 ATOM 2341 C C . GLU A 1 299 ? -45.109 -12.967 19.717 1.00 31.97 ? 381 GLU A C 1 ATOM 2342 O O . GLU A 1 299 ? -46.025 -12.145 19.616 1.00 29.66 ? 381 GLU A O 1 ATOM 2343 C CB . GLU A 1 299 ? -46.482 -14.769 18.566 1.00 33.76 ? 381 GLU A CB 1 ATOM 2344 C CG . GLU A 1 299 ? -46.512 -15.654 17.334 1.00 39.14 ? 381 GLU A CG 1 ATOM 2345 C CD . GLU A 1 299 ? -47.806 -16.421 17.181 1.00 45.39 ? 381 GLU A CD 1 ATOM 2346 O OE1 . GLU A 1 299 ? -48.770 -16.119 17.918 1.00 42.31 ? 381 GLU A OE1 1 ATOM 2347 O OE2 . GLU A 1 299 ? -47.854 -17.323 16.316 1.00 50.17 ? 381 GLU A OE2 1 ATOM 2348 N N . GLY A 1 300 ? -44.082 -12.804 20.553 1.00 29.72 ? 382 GLY A N 1 ATOM 2349 C CA . GLY A 1 300 ? -44.027 -11.691 21.490 1.00 27.48 ? 382 GLY A CA 1 ATOM 2350 C C . GLY A 1 300 ? -43.848 -10.313 20.865 1.00 26.60 ? 382 GLY A C 1 ATOM 2351 O O . GLY A 1 300 ? -43.996 -9.294 21.547 1.00 26.87 ? 382 GLY A O 1 ATOM 2352 N N . TRP A 1 301 ? -43.547 -10.263 19.570 1.00 25.73 ? 383 TRP A N 1 ATOM 2353 C CA . TRP A 1 301 ? -43.420 -8.972 18.908 1.00 25.79 ? 383 TRP A CA 1 ATOM 2354 C C . TRP A 1 301 ? -44.755 -8.473 18.369 1.00 28.36 ? 383 TRP A C 1 ATOM 2355 O O . TRP A 1 301 ? -44.896 -7.294 18.041 1.00 27.89 ? 383 TRP A O 1 ATOM 2356 C CB . TRP A 1 301 ? -42.404 -8.998 17.767 1.00 28.17 ? 383 TRP A CB 1 ATOM 2357 C CG . TRP A 1 301 ? -42.049 -7.613 17.327 1.00 26.97 ? 383 TRP A CG 1 ATOM 2358 C CD1 . TRP A 1 301 ? -42.464 -6.975 16.193 1.00 25.23 ? 383 TRP A CD1 1 ATOM 2359 C CD2 . TRP A 1 301 ? -41.223 -6.684 18.035 1.00 25.93 ? 383 TRP A CD2 1 ATOM 2360 N NE1 . TRP A 1 301 ? -41.944 -5.699 16.151 1.00 26.47 ? 383 TRP A NE1 1 ATOM 2361 C CE2 . TRP A 1 301 ? -41.176 -5.498 17.271 1.00 25.97 ? 383 TRP A CE2 1 ATOM 2362 C CE3 . TRP A 1 301 ? -40.518 -6.739 19.243 1.00 25.49 ? 383 TRP A CE3 1 ATOM 2363 C CZ2 . TRP A 1 301 ? -40.443 -4.375 17.675 1.00 25.21 ? 383 TRP A CZ2 1 ATOM 2364 C CZ3 . TRP A 1 301 ? -39.792 -5.630 19.643 1.00 25.95 ? 383 TRP A CZ3 1 ATOM 2365 C CH2 . TRP A 1 301 ? -39.760 -4.460 18.861 1.00 23.81 ? 383 TRP A CH2 1 ATOM 2366 N N . ILE A 1 302 ? -45.728 -9.373 18.265 1.00 29.39 ? 384 ILE A N 1 ATOM 2367 C CA . ILE A 1 302 ? -46.980 -9.013 17.624 1.00 32.75 ? 384 ILE A CA 1 ATOM 2368 C C . ILE A 1 302 ? -48.188 -9.141 18.532 1.00 33.72 ? 384 ILE A C 1 ATOM 2369 O O . ILE A 1 302 ? -48.123 -9.698 19.632 1.00 30.24 ? 384 ILE A O 1 ATOM 2370 C CB . ILE A 1 302 ? -47.226 -9.839 16.340 1.00 33.37 ? 384 ILE A CB 1 ATOM 2371 C CG1 . ILE A 1 302 ? -47.402 -11.323 16.675 1.00 32.86 ? 384 ILE A CG1 1 ATOM 2372 C CG2 . ILE A 1 302 ? -46.092 -9.620 15.335 1.00 33.33 ? 384 ILE A CG2 1 ATOM 2373 C CD1 . ILE A 1 302 ? -47.884 -12.151 15.494 1.00 33.06 ? 384 ILE A CD1 1 ATOM 2374 N N . ASN A 1 303 ? -49.297 -8.588 18.058 1.00 33.43 ? 385 ASN A N 1 ATOM 2375 C CA . ASN A 1 303 ? -50.572 -8.761 18.729 1.00 36.94 ? 385 ASN A CA 1 ATOM 2376 C C . ASN A 1 303 ? -51.044 -10.190 18.486 1.00 32.56 ? 385 ASN A C 1 ATOM 2377 O O . ASN A 1 303 ? -51.328 -10.571 17.354 1.00 36.25 ? 385 ASN A O 1 ATOM 2378 C CB . ASN A 1 303 ? -51.582 -7.739 18.206 1.00 33.47 ? 385 ASN A CB 1 ATOM 2379 C CG . ASN A 1 303 ? -52.883 -7.774 18.967 1.00 38.65 ? 385 ASN A CG 1 ATOM 2380 O OD1 . ASN A 1 303 ? -53.512 -8.830 19.100 1.00 35.30 ? 385 ASN A OD1 1 ATOM 2381 N ND2 . ASN A 1 303 ? -53.302 -6.619 19.474 1.00 35.15 ? 385 ASN A ND2 1 ATOM 2382 N N . SER A 1 304 ? -51.089 -10.985 19.546 1.00 30.15 ? 386 SER A N 1 ATOM 2383 C CA . SER A 1 304 ? -51.382 -12.408 19.416 1.00 33.63 ? 386 SER A CA 1 ATOM 2384 C C . SER A 1 304 ? -51.847 -13.003 20.738 1.00 37.33 ? 386 SER A C 1 ATOM 2385 O O . SER A 1 304 ? -51.433 -12.553 21.806 1.00 35.94 ? 386 SER A O 1 ATOM 2386 C CB . SER A 1 304 ? -50.131 -13.157 18.932 1.00 36.10 ? 386 SER A CB 1 ATOM 2387 O OG . SER A 1 304 ? -50.224 -14.542 19.230 1.00 39.01 ? 386 SER A OG 1 ATOM 2388 N N . PRO A 1 305 ? -52.707 -14.036 20.673 1.00 37.83 ? 387 PRO A N 1 ATOM 2389 C CA . PRO A 1 305 ? -53.109 -14.728 21.895 1.00 38.17 ? 387 PRO A CA 1 ATOM 2390 C C . PRO A 1 305 ? -52.119 -15.832 22.249 1.00 38.83 ? 387 PRO A C 1 ATOM 2391 O O . PRO A 1 305 ? -52.309 -16.511 23.258 1.00 44.10 ? 387 PRO A O 1 ATOM 2392 C CB . PRO A 1 305 ? -54.445 -15.366 21.506 1.00 42.30 ? 387 PRO A CB 1 ATOM 2393 C CG . PRO A 1 305 ? -54.348 -15.578 20.005 1.00 43.01 ? 387 PRO A CG 1 ATOM 2394 C CD . PRO A 1 305 ? -53.262 -14.664 19.462 1.00 40.04 ? 387 PRO A CD 1 ATOM 2395 N N . ASN A 1 306 ? -51.071 -15.994 21.445 1.00 41.86 ? 388 ASN A N 1 ATOM 2396 C CA . ASN A 1 306 ? -50.194 -17.163 21.552 1.00 39.18 ? 388 ASN A CA 1 ATOM 2397 C C . ASN A 1 306 ? -48.840 -16.913 22.219 1.00 40.98 ? 388 ASN A C 1 ATOM 2398 O O . ASN A 1 306 ? -47.931 -17.739 22.091 1.00 40.86 ? 388 ASN A O 1 ATOM 2399 C CB . ASN A 1 306 ? -49.941 -17.759 20.166 1.00 41.78 ? 388 ASN A CB 1 ATOM 2400 C CG . ASN A 1 306 ? -51.218 -18.138 19.450 1.00 46.80 ? 388 ASN A CG 1 ATOM 2401 O OD1 . ASN A 1 306 ? -51.289 -18.076 18.222 1.00 49.52 ? 388 ASN A OD1 1 ATOM 2402 N ND2 . ASN A 1 306 ? -52.234 -18.533 20.211 1.00 44.67 ? 388 ASN A ND2 1 ATOM 2403 N N . HIS A 1 307 ? -48.694 -15.794 22.922 1.00 35.53 ? 389 HIS A N 1 ATOM 2404 C CA . HIS A 1 307 ? -47.428 -15.521 23.605 1.00 31.96 ? 389 HIS A CA 1 ATOM 2405 C C . HIS A 1 307 ? -47.124 -16.601 24.623 1.00 34.91 ? 389 HIS A C 1 ATOM 2406 O O . HIS A 1 307 ? -47.958 -16.923 25.473 1.00 37.82 ? 389 HIS A O 1 ATOM 2407 C CB . HIS A 1 307 ? -47.462 -14.180 24.325 1.00 29.13 ? 389 HIS A CB 1 ATOM 2408 C CG . HIS A 1 307 ? -47.583 -13.009 23.404 1.00 26.02 ? 389 HIS A CG 1 ATOM 2409 N ND1 . HIS A 1 307 ? -47.710 -11.717 23.862 1.00 28.79 ? 389 HIS A ND1 1 ATOM 2410 C CD2 . HIS A 1 307 ? -47.604 -12.939 22.055 1.00 29.88 ? 389 HIS A CD2 1 ATOM 2411 C CE1 . HIS A 1 307 ? -47.810 -10.897 22.834 1.00 28.06 ? 389 HIS A CE1 1 ATOM 2412 N NE2 . HIS A 1 307 ? -47.742 -11.612 21.722 1.00 27.83 ? 389 HIS A NE2 1 ATOM 2413 N N . VAL A 1 308 ? -45.915 -17.147 24.539 1.00 33.17 ? 390 VAL A N 1 ATOM 2414 C CA . VAL A 1 308 ? -45.436 -18.113 25.516 1.00 33.25 ? 390 VAL A CA 1 ATOM 2415 C C . VAL A 1 308 ? -43.921 -17.976 25.611 1.00 31.02 ? 390 VAL A C 1 ATOM 2416 O O . VAL A 1 308 ? -43.262 -17.694 24.605 1.00 30.74 ? 390 VAL A O 1 ATOM 2417 C CB . VAL A 1 308 ? -45.802 -19.560 25.124 1.00 39.33 ? 390 VAL A CB 1 ATOM 2418 C CG1 . VAL A 1 308 ? -45.352 -19.865 23.698 1.00 39.39 ? 390 VAL A CG1 1 ATOM 2419 C CG2 . VAL A 1 308 ? -45.187 -20.546 26.107 1.00 39.00 ? 390 VAL A CG2 1 ATOM 2420 N N . LYS A 1 309 ? -43.391 -18.140 26.822 1.00 28.99 ? 391 LYS A N 1 ATOM 2421 C CA . LYS A 1 309 ? -41.943 -18.142 27.047 1.00 33.24 ? 391 LYS A CA 1 ATOM 2422 C C . LYS A 1 309 ? -41.333 -19.473 26.622 1.00 33.75 ? 391 LYS A C 1 ATOM 2423 O O . LYS A 1 309 ? -41.290 -20.417 27.411 1.00 39.09 ? 391 LYS A O 1 ATOM 2424 C CB . LYS A 1 309 ? -41.626 -17.885 28.524 1.00 31.22 ? 391 LYS A CB 1 ATOM 2425 C CG . LYS A 1 309 ? -42.046 -16.513 29.020 1.00 31.79 ? 391 LYS A CG 1 ATOM 2426 C CD . LYS A 1 309 ? -41.575 -16.262 30.446 1.00 33.17 ? 391 LYS A CD 1 ATOM 2427 C CE . LYS A 1 309 ? -42.317 -17.161 31.428 1.00 36.96 ? 391 LYS A CE 1 ATOM 2428 N NZ . LYS A 1 309 ? -42.014 -16.862 32.859 1.00 35.72 ? 391 LYS A NZ 1 ATOM 2429 N N . SER A 1 310 ? -40.872 -19.550 25.377 1.00 30.70 ? 392 SER A N 1 ATOM 2430 C CA . SER A 1 310 ? -40.325 -20.791 24.829 1.00 31.32 ? 392 SER A CA 1 ATOM 2431 C C . SER A 1 310 ? -38.956 -21.116 25.424 1.00 32.16 ? 392 SER A C 1 ATOM 2432 O O . SER A 1 310 ? -38.584 -22.287 25.568 1.00 30.52 ? 392 SER A O 1 ATOM 2433 C CB . SER A 1 310 ? -40.222 -20.702 23.305 1.00 32.88 ? 392 SER A CB 1 ATOM 2434 O OG . SER A 1 310 ? -39.374 -19.633 22.912 1.00 32.51 ? 392 SER A OG 1 ATOM 2435 N N . ILE A 1 311 ? -38.207 -20.073 25.768 1.00 30.06 ? 393 ILE A N 1 ATOM 2436 C CA . ILE A 1 311 ? -36.867 -20.230 26.320 1.00 31.30 ? 393 ILE A CA 1 ATOM 2437 C C . ILE A 1 311 ? -36.655 -19.257 27.465 1.00 28.40 ? 393 ILE A C 1 ATOM 2438 O O . ILE A 1 311 ? -37.083 -18.105 27.408 1.00 29.29 ? 393 ILE A O 1 ATOM 2439 C CB . ILE A 1 311 ? -35.783 -19.939 25.273 1.00 30.34 ? 393 ILE A CB 1 ATOM 2440 C CG1 . ILE A 1 311 ? -36.040 -20.731 23.995 1.00 34.70 ? 393 ILE A CG1 1 ATOM 2441 C CG2 . ILE A 1 311 ? -34.387 -20.239 25.843 1.00 35.49 ? 393 ILE A CG2 1 ATOM 2442 C CD1 . ILE A 1 311 ? -35.003 -20.481 22.931 1.00 37.37 ? 393 ILE A CD1 1 ATOM 2443 N N . THR A 1 312 ? -36.017 -19.738 28.518 1.00 26.63 ? 394 THR A N 1 ATOM 2444 C CA . THR A 1 312 ? -35.530 -18.876 29.574 1.00 25.81 ? 394 THR A CA 1 ATOM 2445 C C . THR A 1 312 ? -34.089 -19.268 29.897 1.00 26.45 ? 394 THR A C 1 ATOM 2446 O O . THR A 1 312 ? -33.827 -20.390 30.309 1.00 23.52 ? 394 THR A O 1 ATOM 2447 C CB . THR A 1 312 ? -36.386 -18.981 30.839 1.00 30.93 ? 394 THR A CB 1 ATOM 2448 O OG1 . THR A 1 312 ? -37.730 -18.560 30.553 1.00 30.14 ? 394 THR A OG1 1 ATOM 2449 C CG2 . THR A 1 312 ? -35.822 -18.103 31.932 1.00 28.31 ? 394 THR A CG2 1 ATOM 2450 N N . GLN A 1 313 ? -33.146 -18.357 29.674 1.00 23.96 ? 395 GLN A N 1 ATOM 2451 C CA . GLN A 1 313 ? -31.776 -18.567 30.131 1.00 24.63 ? 395 GLN A CA 1 ATOM 2452 C C . GLN A 1 313 ? -31.535 -17.725 31.366 1.00 21.65 ? 395 GLN A C 1 ATOM 2453 O O . GLN A 1 313 ? -31.709 -16.503 31.344 1.00 23.31 ? 395 GLN A O 1 ATOM 2454 C CB . GLN A 1 313 ? -30.763 -18.188 29.047 1.00 22.15 ? 395 GLN A CB 1 ATOM 2455 C CG . GLN A 1 313 ? -30.818 -19.062 27.831 1.00 19.97 ? 395 GLN A CG 1 ATOM 2456 C CD . GLN A 1 313 ? -29.718 -18.759 26.832 1.00 19.25 ? 395 GLN A CD 1 ATOM 2457 O OE1 . GLN A 1 313 ? -29.995 -18.291 25.729 1.00 21.69 ? 395 GLN A OE1 1 ATOM 2458 N NE2 . GLN A 1 313 ? -28.465 -19.046 27.203 1.00 21.08 ? 395 GLN A NE2 1 ATOM 2459 N N . THR A 1 314 ? -31.146 -18.373 32.453 1.00 19.82 ? 396 THR A N 1 ATOM 2460 C CA . THR A 1 314 ? -30.827 -17.670 33.682 1.00 21.09 ? 396 THR A CA 1 ATOM 2461 C C . THR A 1 314 ? -29.305 -17.497 33.778 1.00 22.86 ? 396 THR A C 1 ATOM 2462 O O . THR A 1 314 ? -28.569 -18.466 33.985 1.00 24.53 ? 396 THR A O 1 ATOM 2463 C CB . THR A 1 314 ? -31.344 -18.415 34.926 1.00 28.45 ? 396 THR A CB 1 ATOM 2464 O OG1 . THR A 1 314 ? -32.766 -18.599 34.824 1.00 29.09 ? 396 THR A OG1 1 ATOM 2465 C CG2 . THR A 1 314 ? -31.036 -17.620 36.175 1.00 23.21 ? 396 THR A CG2 1 ATOM 2466 N N . LEU A 1 315 ? -28.847 -16.259 33.619 1.00 20.64 ? 397 LEU A N 1 ATOM 2467 C CA . LEU A 1 315 ? -27.414 -15.979 33.469 1.00 20.94 ? 397 LEU A CA 1 ATOM 2468 C C . LEU A 1 315 ? -26.765 -15.440 34.737 1.00 20.92 ? 397 LEU A C 1 ATOM 2469 O O . LEU A 1 315 ? -25.557 -15.616 34.957 1.00 20.75 ? 397 LEU A O 1 ATOM 2470 C CB . LEU A 1 315 ? -27.200 -15.012 32.306 1.00 17.35 ? 397 LEU A CB 1 ATOM 2471 C CG . LEU A 1 315 ? -27.840 -15.533 31.015 1.00 20.14 ? 397 LEU A CG 1 ATOM 2472 C CD1 . LEU A 1 315 ? -27.719 -14.481 29.908 1.00 19.23 ? 397 LEU A CD1 1 ATOM 2473 C CD2 . LEU A 1 315 ? -27.238 -16.861 30.589 1.00 20.63 ? 397 LEU A CD2 1 ATOM 2474 N N . VAL A 1 316 ? -27.563 -14.765 35.556 1.00 19.71 ? 398 VAL A N 1 ATOM 2475 C CA . VAL A 1 316 ? -27.119 -14.264 36.844 1.00 18.91 ? 398 VAL A CA 1 ATOM 2476 C C . VAL A 1 316 ? -28.221 -14.598 37.842 1.00 24.95 ? 398 VAL A C 1 ATOM 2477 O O . VAL A 1 316 ? -29.387 -14.214 37.641 1.00 23.50 ? 398 VAL A O 1 ATOM 2478 C CB . VAL A 1 316 ? -26.891 -12.727 36.795 1.00 22.09 ? 398 VAL A CB 1 ATOM 2479 C CG1 . VAL A 1 316 ? -26.588 -12.169 38.173 1.00 18.64 ? 398 VAL A CG1 1 ATOM 2480 C CG2 . VAL A 1 316 ? -25.775 -12.392 35.816 1.00 19.67 ? 398 VAL A CG2 1 ATOM 2481 N N . SER A 1 317 ? -27.876 -15.333 38.898 1.00 25.61 ? 399 SER A N 1 ATOM 2482 C CA . SER A 1 317 ? -28.912 -15.790 39.827 1.00 26.46 ? 399 SER A CA 1 ATOM 2483 C C . SER A 1 317 ? -29.528 -14.613 40.559 1.00 26.74 ? 399 SER A C 1 ATOM 2484 O O . SER A 1 317 ? -28.939 -13.539 40.648 1.00 23.68 ? 399 SER A O 1 ATOM 2485 C CB . SER A 1 317 ? -28.370 -16.800 40.844 1.00 26.15 ? 399 SER A CB 1 ATOM 2486 O OG . SER A 1 317 ? -27.906 -16.139 42.012 1.00 31.99 ? 399 SER A OG 1 ATOM 2487 N N . ASN A 1 318 ? -30.728 -14.822 41.087 1.00 25.98 ? 400 ASN A N 1 ATOM 2488 C CA . ASN A 1 318 ? -31.421 -13.780 41.827 1.00 29.67 ? 400 ASN A CA 1 ATOM 2489 C C . ASN A 1 318 ? -30.752 -13.462 43.158 1.00 26.84 ? 400 ASN A C 1 ATOM 2490 O O . ASN A 1 318 ? -31.098 -12.480 43.814 1.00 33.15 ? 400 ASN A O 1 ATOM 2491 C CB . ASN A 1 318 ? -32.886 -14.168 42.049 1.00 30.91 ? 400 ASN A CB 1 ATOM 2492 C CG . ASN A 1 318 ? -33.761 -12.976 42.405 1.00 36.78 ? 400 ASN A CG 1 ATOM 2493 O OD1 . ASN A 1 318 ? -34.701 -13.102 43.189 1.00 40.64 ? 400 ASN A OD1 1 ATOM 2494 N ND2 . ASN A 1 318 ? -33.459 -11.813 41.826 1.00 28.63 ? 400 ASN A ND2 1 ATOM 2495 N N . ASN A 1 319 ? -29.790 -14.283 43.564 1.00 30.19 ? 401 ASN A N 1 ATOM 2496 C CA . ASN A 1 319 ? -29.012 -13.974 44.765 1.00 30.44 ? 401 ASN A CA 1 ATOM 2497 C C . ASN A 1 319 ? -27.849 -13.032 44.479 1.00 32.24 ? 401 ASN A C 1 ATOM 2498 O O . ASN A 1 319 ? -27.104 -12.648 45.380 1.00 34.38 ? 401 ASN A O 1 ATOM 2499 C CB . ASN A 1 319 ? -28.497 -15.245 45.437 1.00 38.75 ? 401 ASN A CB 1 ATOM 2500 C CG . ASN A 1 319 ? -29.404 -15.709 46.553 1.00 46.07 ? 401 ASN A CG 1 ATOM 2501 O OD1 . ASN A 1 319 ? -30.435 -16.327 46.307 1.00 49.98 ? 401 ASN A OD1 1 ATOM 2502 N ND2 . ASN A 1 319 ? -29.035 -15.391 47.790 1.00 52.95 ? 401 ASN A ND2 1 ATOM 2503 N N . ASP A 1 320 ? -27.711 -12.657 43.213 1.00 26.55 ? 402 ASP A N 1 ATOM 2504 C CA . ASP A 1 320 ? -26.625 -11.785 42.793 1.00 25.53 ? 402 ASP A CA 1 ATOM 2505 C C . ASP A 1 320 ? -27.171 -10.467 42.239 1.00 25.21 ? 402 ASP A C 1 ATOM 2506 O O . ASP A 1 320 ? -28.268 -10.428 41.677 1.00 21.20 ? 402 ASP A O 1 ATOM 2507 C CB . ASP A 1 320 ? -25.751 -12.507 41.763 1.00 25.63 ? 402 ASP A CB 1 ATOM 2508 C CG . ASP A 1 320 ? -25.038 -13.719 42.350 1.00 25.70 ? 402 ASP A CG 1 ATOM 2509 O OD1 . ASP A 1 320 ? -24.127 -13.517 43.185 1.00 27.62 ? 402 ASP A OD1 1 ATOM 2510 O OD2 . ASP A 1 320 ? -25.381 -14.864 41.967 1.00 25.36 ? 402 ASP A OD2 1 ATOM 2511 N N . TRP A 1 321 ? -26.414 -9.384 42.413 1.00 21.67 ? 403 TRP A N 1 ATOM 2512 C CA . TRP A 1 321 ? -26.853 -8.068 41.938 1.00 21.34 ? 403 TRP A CA 1 ATOM 2513 C C . TRP A 1 321 ? -26.636 -7.911 40.430 1.00 21.57 ? 403 TRP A C 1 ATOM 2514 O O . TRP A 1 321 ? -25.612 -8.333 39.896 1.00 19.63 ? 403 TRP A O 1 ATOM 2515 C CB . TRP A 1 321 ? -26.119 -6.958 42.685 1.00 22.71 ? 403 TRP A CB 1 ATOM 2516 C CG . TRP A 1 321 ? -26.442 -6.874 44.143 1.00 24.14 ? 403 TRP A CG 1 ATOM 2517 C CD1 . TRP A 1 321 ? -25.580 -7.057 45.189 1.00 28.18 ? 403 TRP A CD1 1 ATOM 2518 C CD2 . TRP A 1 321 ? -27.717 -6.568 44.726 1.00 26.56 ? 403 TRP A CD2 1 ATOM 2519 N NE1 . TRP A 1 321 ? -26.239 -6.882 46.385 1.00 29.76 ? 403 TRP A NE1 1 ATOM 2520 C CE2 . TRP A 1 321 ? -27.550 -6.584 46.128 1.00 30.05 ? 403 TRP A CE2 1 ATOM 2521 C CE3 . TRP A 1 321 ? -28.979 -6.284 44.199 1.00 28.46 ? 403 TRP A CE3 1 ATOM 2522 C CZ2 . TRP A 1 321 ? -28.603 -6.331 47.005 1.00 31.84 ? 403 TRP A CZ2 1 ATOM 2523 C CZ3 . TRP A 1 321 ? -30.022 -6.034 45.073 1.00 33.74 ? 403 TRP A CZ3 1 ATOM 2524 C CH2 . TRP A 1 321 ? -29.826 -6.059 46.458 1.00 34.74 ? 403 TRP A CH2 1 ATOM 2525 N N . SER A 1 322 ? -27.606 -7.320 39.736 1.00 23.33 ? 404 SER A N 1 ATOM 2526 C CA . SER A 1 322 ? -27.400 -6.969 38.333 1.00 21.57 ? 404 SER A CA 1 ATOM 2527 C C . SER A 1 322 ? -27.437 -5.443 38.169 1.00 17.68 ? 404 SER A C 1 ATOM 2528 O O . SER A 1 322 ? -26.767 -4.737 38.911 1.00 19.52 ? 404 SER A O 1 ATOM 2529 C CB . SER A 1 322 ? -28.382 -7.690 37.402 1.00 22.50 ? 404 SER A CB 1 ATOM 2530 O OG . SER A 1 322 ? -29.724 -7.388 37.730 1.00 20.82 ? 404 SER A OG 1 ATOM 2531 N N . GLY A 1 323 ? -28.223 -4.949 37.219 1.00 21.48 ? 405 GLY A N 1 ATOM 2532 C CA . GLY A 1 323 ? -28.248 -3.526 36.913 1.00 18.99 ? 405 GLY A CA 1 ATOM 2533 C C . GLY A 1 323 ? -28.663 -3.291 35.474 1.00 18.80 ? 405 GLY A C 1 ATOM 2534 O O . GLY A 1 323 ? -29.511 -4.009 34.936 1.00 20.98 ? 405 GLY A O 1 ATOM 2535 N N . TYR A 1 324 ? -28.078 -2.271 34.848 1.00 17.98 ? 406 TYR A N 1 ATOM 2536 C CA . TYR A 1 324 ? -28.374 -1.959 33.456 1.00 14.76 ? 406 TYR A CA 1 ATOM 2537 C C . TYR A 1 324 ? -27.988 -3.101 32.533 1.00 14.32 ? 406 TYR A C 1 ATOM 2538 O O . TYR A 1 324 ? -27.129 -3.916 32.856 1.00 15.23 ? 406 TYR A O 1 ATOM 2539 C CB . TYR A 1 324 ? -27.590 -0.716 33.044 1.00 14.53 ? 406 TYR A CB 1 ATOM 2540 C CG . TYR A 1 324 ? -28.274 0.571 33.414 1.00 16.25 ? 406 TYR A CG 1 ATOM 2541 C CD1 . TYR A 1 324 ? -29.355 0.571 34.285 1.00 18.03 ? 406 TYR A CD1 1 ATOM 2542 C CD2 . TYR A 1 324 ? -27.858 1.781 32.886 1.00 15.46 ? 406 TYR A CD2 1 ATOM 2543 C CE1 . TYR A 1 324 ? -29.996 1.731 34.621 1.00 18.13 ? 406 TYR A CE1 1 ATOM 2544 C CE2 . TYR A 1 324 ? -28.502 2.959 33.210 1.00 14.68 ? 406 TYR A CE2 1 ATOM 2545 C CZ . TYR A 1 324 ? -29.569 2.926 34.090 1.00 19.17 ? 406 TYR A CZ 1 ATOM 2546 O OH . TYR A 1 324 ? -30.235 4.078 34.430 1.00 20.76 ? 406 TYR A OH 1 ATOM 2547 N N . SER A 1 325 ? -28.629 -3.169 31.377 1.00 14.55 ? 407 SER A N 1 ATOM 2548 C CA . SER A 1 325 ? -28.191 -4.087 30.335 1.00 15.06 ? 407 SER A CA 1 ATOM 2549 C C . SER A 1 325 ? -28.486 -3.430 28.998 1.00 15.51 ? 407 SER A C 1 ATOM 2550 O O . SER A 1 325 ? -29.370 -2.571 28.903 1.00 14.52 ? 407 SER A O 1 ATOM 2551 C CB . SER A 1 325 ? -28.878 -5.459 30.452 1.00 14.96 ? 407 SER A CB 1 ATOM 2552 O OG . SER A 1 325 ? -30.290 -5.317 30.551 1.00 16.03 ? 407 SER A OG 1 ATOM 2553 N N . GLY A 1 326 ? -27.719 -3.792 27.975 1.00 16.65 ? 408 GLY A N 1 ATOM 2554 C CA . GLY A 1 326 ? -27.882 -3.145 26.689 1.00 13.42 ? 408 GLY A CA 1 ATOM 2555 C C . GLY A 1 326 ? -27.397 -4.011 25.562 1.00 13.69 ? 408 GLY A C 1 ATOM 2556 O O . GLY A 1 326 ? -26.609 -4.933 25.769 1.00 14.15 ? 408 GLY A O 1 ATOM 2557 N N . SER A 1 327 ? -27.889 -3.727 24.363 1.00 13.62 ? 409 SER A N 1 ATOM 2558 C CA . SER A 1 327 ? -27.493 -4.473 23.171 1.00 12.97 ? 409 SER A CA 1 ATOM 2559 C C . SER A 1 327 ? -26.243 -3.879 22.515 1.00 13.28 ? 409 SER A C 1 ATOM 2560 O O . SER A 1 327 ? -26.005 -2.671 22.587 1.00 13.90 ? 409 SER A O 1 ATOM 2561 C CB . SER A 1 327 ? -28.649 -4.450 22.169 1.00 16.08 ? 409 SER A CB 1 ATOM 2562 O OG . SER A 1 327 ? -29.124 -3.114 22.054 1.00 16.97 ? 409 SER A OG 1 ATOM 2563 N N . PHE A 1 328 ? -25.452 -4.743 21.887 1.00 13.24 ? 410 PHE A N 1 ATOM 2564 C CA . PHE A 1 328 ? -24.457 -4.324 20.897 1.00 14.41 ? 410 PHE A CA 1 ATOM 2565 C C . PHE A 1 328 ? -24.393 -5.360 19.775 1.00 12.60 ? 410 PHE A C 1 ATOM 2566 O O . PHE A 1 328 ? -24.868 -6.489 19.924 1.00 16.55 ? 410 PHE A O 1 ATOM 2567 C CB . PHE A 1 328 ? -23.066 -4.053 21.516 1.00 11.42 ? 410 PHE A CB 1 ATOM 2568 C CG . PHE A 1 328 ? -22.358 -5.285 22.066 1.00 10.66 ? 410 PHE A CG 1 ATOM 2569 C CD1 . PHE A 1 328 ? -21.402 -5.952 21.313 1.00 11.97 ? 410 PHE A CD1 1 ATOM 2570 C CD2 . PHE A 1 328 ? -22.605 -5.723 23.358 1.00 11.16 ? 410 PHE A CD2 1 ATOM 2571 C CE1 . PHE A 1 328 ? -20.727 -7.057 21.813 1.00 13.14 ? 410 PHE A CE1 1 ATOM 2572 C CE2 . PHE A 1 328 ? -21.930 -6.843 23.873 1.00 12.47 ? 410 PHE A CE2 1 ATOM 2573 C CZ . PHE A 1 328 ? -20.989 -7.507 23.099 1.00 11.99 ? 410 PHE A CZ 1 ATOM 2574 N N . ILE A 1 329 ? -23.838 -4.977 18.637 1.00 12.87 ? 411 ILE A N 1 ATOM 2575 C CA . ILE A 1 329 ? -23.742 -5.910 17.525 1.00 15.36 ? 411 ILE A CA 1 ATOM 2576 C C . ILE A 1 329 ? -22.291 -6.136 17.129 1.00 14.72 ? 411 ILE A C 1 ATOM 2577 O O . ILE A 1 329 ? -21.419 -5.281 17.359 1.00 14.03 ? 411 ILE A O 1 ATOM 2578 C CB . ILE A 1 329 ? -24.506 -5.416 16.292 1.00 15.72 ? 411 ILE A CB 1 ATOM 2579 C CG1 . ILE A 1 329 ? -24.030 -4.012 15.913 1.00 16.85 ? 411 ILE A CG1 1 ATOM 2580 C CG2 . ILE A 1 329 ? -26.017 -5.435 16.539 1.00 19.81 ? 411 ILE A CG2 1 ATOM 2581 C CD1 . ILE A 1 329 ? -24.804 -3.404 14.748 1.00 21.50 ? 411 ILE A CD1 1 ATOM 2582 N N . VAL A 1 330 ? -22.032 -7.291 16.525 1.00 12.41 ? 412 VAL A N 1 ATOM 2583 C CA . VAL A 1 330 ? -20.726 -7.569 15.946 1.00 12.76 ? 412 VAL A CA 1 ATOM 2584 C C . VAL A 1 330 ? -20.917 -8.027 14.509 1.00 12.60 ? 412 VAL A C 1 ATOM 2585 O O . VAL A 1 330 ? -21.728 -8.909 14.250 1.00 16.64 ? 412 VAL A O 1 ATOM 2586 C CB . VAL A 1 330 ? -19.973 -8.663 16.729 1.00 12.89 ? 412 VAL A CB 1 ATOM 2587 C CG1 . VAL A 1 330 ? -18.594 -8.866 16.131 1.00 13.67 ? 412 VAL A CG1 1 ATOM 2588 C CG2 . VAL A 1 330 ? -19.878 -8.290 18.204 1.00 14.01 ? 412 VAL A CG2 1 ATOM 2589 N N . LYS A 1 331 ? -20.205 -7.425 13.565 1.00 14.11 ? 413 LYS A N 1 ATOM 2590 C CA . LYS A 1 331 ? -20.398 -7.811 12.174 1.00 17.86 ? 413 LYS A CA 1 ATOM 2591 C C . LYS A 1 331 ? -19.902 -9.236 11.920 1.00 17.58 ? 413 LYS A C 1 ATOM 2592 O O . LYS A 1 331 ? -18.781 -9.584 12.283 1.00 19.11 ? 413 LYS A O 1 ATOM 2593 C CB . LYS A 1 331 ? -19.713 -6.845 11.217 1.00 18.80 ? 413 LYS A CB 1 ATOM 2594 C CG . LYS A 1 331 ? -20.066 -7.115 9.766 1.00 22.61 ? 413 LYS A CG 1 ATOM 2595 C CD . LYS A 1 331 ? -19.395 -6.134 8.822 1.00 26.80 ? 413 LYS A CD 1 ATOM 2596 C CE . LYS A 1 331 ? -19.777 -6.451 7.380 1.00 38.19 ? 413 LYS A CE 1 ATOM 2597 N NZ . LYS A 1 331 ? -18.590 -6.678 6.512 1.00 40.52 ? 413 LYS A NZ 1 ATOM 2598 N N . ALA A 1 332 ? -20.754 -10.047 11.339 1.00 18.98 ? 414 ALA A N 1 ATOM 2599 C CA . ALA A 1 332 ? -20.372 -11.353 10.988 1.00 21.80 ? 414 ALA A CA 1 ATOM 2600 C C . ALA A 1 332 ? -20.149 -11.273 9.486 1.00 29.03 ? 414 ALA A C 1 ATOM 2601 O O . ALA A 1 332 ? -19.432 -10.431 9.067 1.00 35.86 ? 414 ALA A O 1 ATOM 2602 C CB . ALA A 1 332 ? -21.342 -12.317 11.416 1.00 23.22 ? 414 ALA A CB 1 ATOM 2603 N N . LYS A 1 333 ? -20.642 -12.084 8.627 1.00 36.81 ? 415 LYS A N 1 ATOM 2604 C CA . LYS A 1 333 ? -20.111 -11.746 7.315 1.00 40.53 ? 415 LYS A CA 1 ATOM 2605 C C . LYS A 1 333 ? -21.021 -10.781 6.598 1.00 43.24 ? 415 LYS A C 1 ATOM 2606 O O . LYS A 1 333 ? -20.719 -9.675 6.263 1.00 46.96 ? 415 LYS A O 1 ATOM 2607 C CB . LYS A 1 333 ? -19.886 -12.974 6.477 1.00 44.50 ? 415 LYS A CB 1 ATOM 2608 C CG . LYS A 1 333 ? -19.123 -13.970 7.184 1.00 49.08 ? 415 LYS A CG 1 ATOM 2609 C CD . LYS A 1 333 ? -17.657 -13.805 6.928 1.00 54.99 ? 415 LYS A CD 1 ATOM 2610 C CE . LYS A 1 333 ? -17.062 -15.135 6.588 1.00 53.53 ? 415 LYS A CE 1 ATOM 2611 N NZ . LYS A 1 333 ? -15.642 -14.959 6.521 1.00 54.61 ? 415 LYS A NZ 1 ATOM 2612 N N . ASP A 1 334 ? -22.179 -11.284 6.441 1.00 34.70 ? 416 ASP A N 1 ATOM 2613 C CA . ASP A 1 334 ? -23.303 -10.578 5.834 1.00 36.55 ? 416 ASP A CA 1 ATOM 2614 C C . ASP A 1 334 ? -24.492 -10.441 6.784 1.00 32.39 ? 416 ASP A C 1 ATOM 2615 O O . ASP A 1 334 ? -25.629 -10.270 6.352 1.00 32.34 ? 416 ASP A O 1 ATOM 2616 C CB . ASP A 1 334 ? -23.717 -11.261 4.529 1.00 41.84 ? 416 ASP A CB 1 ATOM 2617 C CG . ASP A 1 334 ? -23.723 -12.769 4.641 1.00 47.78 ? 416 ASP A CG 1 ATOM 2618 O OD1 . ASP A 1 334 ? -23.307 -13.440 3.668 1.00 51.97 ? 416 ASP A OD1 1 ATOM 2619 O OD2 . ASP A 1 334 ? -24.131 -13.285 5.707 1.00 47.60 ? 416 ASP A OD2 1 ATOM 2620 N N . CYS A 1 335 ? -24.224 -10.515 8.081 1.00 21.43 ? 417 CYS A N 1 ATOM 2621 C CA . CYS A 1 335 ? -25.249 -10.257 9.087 1.00 23.29 ? 417 CYS A CA 1 ATOM 2622 C C . CYS A 1 335 ? -24.599 -9.711 10.354 1.00 21.59 ? 417 CYS A C 1 ATOM 2623 O O . CYS A 1 335 ? -23.386 -9.811 10.526 1.00 20.26 ? 417 CYS A O 1 ATOM 2624 C CB . CYS A 1 335 ? -26.107 -11.501 9.377 1.00 23.44 ? 417 CYS A CB 1 ATOM 2625 S SG . CYS A 1 335 ? -25.209 -12.963 10.019 1.00 24.99 ? 417 CYS A SG 1 ATOM 2626 N N . PHE A 1 336 ? -25.407 -9.113 11.222 1.00 20.29 ? 418 PHE A N 1 ATOM 2627 C CA . PHE A 1 336 ? -24.921 -8.616 12.501 1.00 18.49 ? 418 PHE A CA 1 ATOM 2628 C C . PHE A 1 336 ? -25.308 -9.594 13.595 1.00 18.10 ? 418 PHE A C 1 ATOM 2629 O O . PHE A 1 336 ? -26.455 -10.020 13.678 1.00 17.92 ? 418 PHE A O 1 ATOM 2630 C CB . PHE A 1 336 ? -25.542 -7.260 12.832 1.00 17.95 ? 418 PHE A CB 1 ATOM 2631 C CG . PHE A 1 336 ? -24.970 -6.122 12.052 1.00 17.80 ? 418 PHE A CG 1 ATOM 2632 C CD1 . PHE A 1 336 ? -23.614 -5.841 12.097 1.00 16.25 ? 418 PHE A CD1 1 ATOM 2633 C CD2 . PHE A 1 336 ? -25.794 -5.295 11.305 1.00 19.15 ? 418 PHE A CD2 1 ATOM 2634 C CE1 . PHE A 1 336 ? -23.081 -4.774 11.382 1.00 18.24 ? 418 PHE A CE1 1 ATOM 2635 C CE2 . PHE A 1 336 ? -25.272 -4.221 10.593 1.00 19.45 ? 418 PHE A CE2 1 ATOM 2636 C CZ . PHE A 1 336 ? -23.911 -3.959 10.630 1.00 19.82 ? 418 PHE A CZ 1 ATOM 2637 N N . GLN A 1 337 ? -24.350 -9.952 14.438 1.00 16.08 ? 419 GLN A N 1 ATOM 2638 C CA . GLN A 1 337 ? -24.626 -10.862 15.535 1.00 14.58 ? 419 GLN A CA 1 ATOM 2639 C C . GLN A 1 337 ? -25.131 -10.076 16.742 1.00 16.14 ? 419 GLN A C 1 ATOM 2640 O O . GLN A 1 337 ? -24.538 -9.059 17.113 1.00 14.82 ? 419 GLN A O 1 ATOM 2641 C CB . GLN A 1 337 ? -23.342 -11.614 15.880 1.00 13.70 ? 419 GLN A CB 1 ATOM 2642 C CG . GLN A 1 337 ? -23.422 -12.468 17.124 1.00 14.78 ? 419 GLN A CG 1 ATOM 2643 C CD . GLN A 1 337 ? -22.076 -13.067 17.454 1.00 14.72 ? 419 GLN A CD 1 ATOM 2644 O OE1 . GLN A 1 337 ? -21.037 -12.436 17.245 1.00 14.94 ? 419 GLN A OE1 1 ATOM 2645 N NE2 . GLN A 1 337 ? -22.080 -14.295 17.957 1.00 15.28 ? 419 GLN A NE2 1 ATOM 2646 N N . PRO A 1 338 ? -26.244 -10.523 17.347 1.00 14.20 ? 420 PRO A N 1 ATOM 2647 C CA . PRO A 1 338 ? -26.752 -9.842 18.543 1.00 13.81 ? 420 PRO A CA 1 ATOM 2648 C C . PRO A 1 338 ? -25.999 -10.244 19.809 1.00 15.35 ? 420 PRO A C 1 ATOM 2649 O O . PRO A 1 338 ? -25.863 -11.426 20.095 1.00 13.86 ? 420 PRO A O 1 ATOM 2650 C CB . PRO A 1 338 ? -28.203 -10.326 18.628 1.00 17.37 ? 420 PRO A CB 1 ATOM 2651 C CG . PRO A 1 338 ? -28.161 -11.688 17.994 1.00 17.46 ? 420 PRO A CG 1 ATOM 2652 C CD . PRO A 1 338 ? -27.183 -11.551 16.854 1.00 18.59 ? 420 PRO A CD 1 ATOM 2653 N N . CYS A 1 339 ? -25.510 -9.255 20.551 1.00 14.95 ? 421 CYS A N 1 ATOM 2654 C CA . CYS A 1 339 ? -24.849 -9.516 21.822 1.00 13.65 ? 421 CYS A CA 1 ATOM 2655 C C . CYS A 1 339 ? -25.430 -8.563 22.831 1.00 13.48 ? 421 CYS A C 1 ATOM 2656 O O . CYS A 1 339 ? -26.150 -7.638 22.469 1.00 13.06 ? 421 CYS A O 1 ATOM 2657 C CB . CYS A 1 339 ? -23.332 -9.277 21.722 1.00 12.22 ? 421 CYS A CB 1 ATOM 2658 S SG . CYS A 1 339 ? -22.479 -10.262 20.490 1.00 14.84 ? 421 CYS A SG 1 ATOM 2659 N N . PHE A 1 340 ? -25.118 -8.774 24.101 1.00 13.40 ? 422 PHE A N 1 ATOM 2660 C CA . PHE A 1 340 ? -25.506 -7.817 25.121 1.00 11.39 ? 422 PHE A CA 1 ATOM 2661 C C . PHE A 1 340 ? -24.548 -7.834 26.296 1.00 12.11 ? 422 PHE A C 1 ATOM 2662 O O . PHE A 1 340 ? -23.765 -8.781 26.460 1.00 12.78 ? 422 PHE A O 1 ATOM 2663 C CB . PHE A 1 340 ? -26.964 -8.026 25.577 1.00 12.71 ? 422 PHE A CB 1 ATOM 2664 C CG . PHE A 1 340 ? -27.225 -9.356 26.273 1.00 14.34 ? 422 PHE A CG 1 ATOM 2665 C CD1 . PHE A 1 340 ? -27.627 -10.463 25.554 1.00 15.30 ? 422 PHE A CD1 1 ATOM 2666 C CD2 . PHE A 1 340 ? -27.113 -9.465 27.652 1.00 15.23 ? 422 PHE A CD2 1 ATOM 2667 C CE1 . PHE A 1 340 ? -27.910 -11.675 26.191 1.00 16.01 ? 422 PHE A CE1 1 ATOM 2668 C CE2 . PHE A 1 340 ? -27.388 -10.679 28.301 1.00 16.33 ? 422 PHE A CE2 1 ATOM 2669 C CZ . PHE A 1 340 ? -27.791 -11.775 27.570 1.00 16.55 ? 422 PHE A CZ 1 ATOM 2670 N N . TYR A 1 341 ? -24.565 -6.763 27.081 1.00 12.44 ? 423 TYR A N 1 ATOM 2671 C CA . TYR A 1 341 ? -23.792 -6.721 28.310 1.00 13.19 ? 423 TYR A CA 1 ATOM 2672 C C . TYR A 1 341 ? -24.754 -6.623 29.483 1.00 13.73 ? 423 TYR A C 1 ATOM 2673 O O . TYR A 1 341 ? -25.910 -6.202 29.336 1.00 14.90 ? 423 TYR A O 1 ATOM 2674 C CB . TYR A 1 341 ? -22.829 -5.520 28.322 1.00 10.06 ? 423 TYR A CB 1 ATOM 2675 C CG . TYR A 1 341 ? -23.592 -4.221 28.337 1.00 10.97 ? 423 TYR A CG 1 ATOM 2676 C CD1 . TYR A 1 341 ? -23.971 -3.606 27.152 1.00 10.93 ? 423 TYR A CD1 1 ATOM 2677 C CD2 . TYR A 1 341 ? -23.984 -3.634 29.539 1.00 11.10 ? 423 TYR A CD2 1 ATOM 2678 C CE1 . TYR A 1 341 ? -24.709 -2.452 27.168 1.00 11.04 ? 423 TYR A CE1 1 ATOM 2679 C CE2 . TYR A 1 341 ? -24.726 -2.479 29.560 1.00 11.99 ? 423 TYR A CE2 1 ATOM 2680 C CZ . TYR A 1 341 ? -25.088 -1.891 28.370 1.00 13.20 ? 423 TYR A CZ 1 ATOM 2681 O OH . TYR A 1 341 ? -25.838 -0.732 28.384 1.00 12.11 ? 423 TYR A OH 1 ATOM 2682 N N . VAL A 1 342 ? -24.277 -7.006 30.656 1.00 14.33 ? 424 VAL A N 1 ATOM 2683 C CA . VAL A 1 342 ? -25.022 -6.772 31.876 1.00 13.66 ? 424 VAL A CA 1 ATOM 2684 C C . VAL A 1 342 ? -24.103 -6.068 32.865 1.00 13.12 ? 424 VAL A C 1 ATOM 2685 O O . VAL A 1 342 ? -22.967 -6.507 33.114 1.00 14.48 ? 424 VAL A O 1 ATOM 2686 C CB . VAL A 1 342 ? -25.565 -8.089 32.513 1.00 14.78 ? 424 VAL A CB 1 ATOM 2687 C CG1 . VAL A 1 342 ? -26.453 -7.758 33.699 1.00 14.97 ? 424 VAL A CG1 1 ATOM 2688 C CG2 . VAL A 1 342 ? -26.321 -8.932 31.488 1.00 12.52 ? 424 VAL A CG2 1 ATOM 2689 N N . GLU A 1 343 ? -24.576 -4.937 33.375 1.00 12.60 ? 425 GLU A N 1 ATOM 2690 C CA . GLU A 1 343 ? -23.878 -4.217 34.426 1.00 13.74 ? 425 GLU A CA 1 ATOM 2691 C C . GLU A 1 343 ? -24.201 -4.886 35.750 1.00 17.36 ? 425 GLU A C 1 ATOM 2692 O O . GLU A 1 343 ? -25.365 -5.106 36.067 1.00 19.39 ? 425 GLU A O 1 ATOM 2693 C CB . GLU A 1 343 ? -24.339 -2.753 34.456 1.00 15.81 ? 425 GLU A CB 1 ATOM 2694 C CG . GLU A 1 343 ? -23.878 -1.956 35.677 1.00 14.43 ? 425 GLU A CG 1 ATOM 2695 C CD . GLU A 1 343 ? -24.591 -0.613 35.817 1.00 15.23 ? 425 GLU A CD 1 ATOM 2696 O OE1 . GLU A 1 343 ? -25.830 -0.561 35.641 1.00 16.24 ? 425 GLU A OE1 1 ATOM 2697 O OE2 . GLU A 1 343 ? -23.913 0.402 36.109 1.00 15.21 ? 425 GLU A OE2 1 ATOM 2698 N N . LEU A 1 344 ? -23.168 -5.209 36.512 1.00 15.64 ? 426 LEU A N 1 ATOM 2699 C CA . LEU A 1 344 ? -23.323 -5.867 37.802 1.00 15.80 ? 426 LEU A CA 1 ATOM 2700 C C . LEU A 1 344 ? -22.941 -4.854 38.878 1.00 17.45 ? 426 LEU A C 1 ATOM 2701 O O . LEU A 1 344 ? -21.778 -4.686 39.213 1.00 18.81 ? 426 LEU A O 1 ATOM 2702 C CB . LEU A 1 344 ? -22.462 -7.140 37.859 1.00 16.58 ? 426 LEU A CB 1 ATOM 2703 C CG . LEU A 1 344 ? -22.639 -8.077 36.656 1.00 14.68 ? 426 LEU A CG 1 ATOM 2704 C CD1 . LEU A 1 344 ? -21.628 -9.220 36.682 1.00 16.28 ? 426 LEU A CD1 1 ATOM 2705 C CD2 . LEU A 1 344 ? -24.056 -8.629 36.563 1.00 17.71 ? 426 LEU A CD2 1 ATOM 2706 N N . ILE A 1 345 ? -23.946 -4.148 39.386 1.00 18.89 ? 427 ILE A N 1 ATOM 2707 C CA . ILE A 1 345 ? -23.721 -3.062 40.323 1.00 18.56 ? 427 ILE A CA 1 ATOM 2708 C C . ILE A 1 345 ? -23.403 -3.574 41.713 1.00 21.44 ? 427 ILE A C 1 ATOM 2709 O O . ILE A 1 345 ? -24.114 -4.432 42.227 1.00 20.64 ? 427 ILE A O 1 ATOM 2710 C CB . ILE A 1 345 ? -24.959 -2.150 40.442 1.00 18.25 ? 427 ILE A CB 1 ATOM 2711 C CG1 . ILE A 1 345 ? -25.367 -1.603 39.070 1.00 16.68 ? 427 ILE A CG1 1 ATOM 2712 C CG2 . ILE A 1 345 ? -24.697 -1.045 41.437 1.00 19.93 ? 427 ILE A CG2 1 ATOM 2713 C CD1 . ILE A 1 345 ? -26.703 -0.863 39.071 1.00 19.63 ? 427 ILE A CD1 1 ATOM 2714 N N . ARG A 1 346 ? -22.344 -3.038 42.317 1.00 21.12 ? 428 ARG A N 1 ATOM 2715 C CA . ARG A 1 346 ? -22.011 -3.339 43.707 1.00 21.61 ? 428 ARG A CA 1 ATOM 2716 C C . ARG A 1 346 ? -21.870 -2.044 44.491 1.00 24.83 ? 428 ARG A C 1 ATOM 2717 O O . ARG A 1 346 ? -21.536 -1.000 43.919 1.00 21.78 ? 428 ARG A O 1 ATOM 2718 C CB . ARG A 1 346 ? -20.737 -4.176 43.809 1.00 20.01 ? 428 ARG A CB 1 ATOM 2719 C CG . ARG A 1 346 ? -20.774 -5.502 43.035 1.00 18.70 ? 428 ARG A CG 1 ATOM 2720 C CD . ARG A 1 346 ? -21.938 -6.405 43.460 1.00 23.86 ? 428 ARG A CD 1 ATOM 2721 N NE . ARG A 1 346 ? -21.948 -6.693 44.893 1.00 26.47 ? 428 ARG A NE 1 ATOM 2722 C CZ . ARG A 1 346 ? -21.385 -7.761 45.458 1.00 27.41 ? 428 ARG A CZ 1 ATOM 2723 N NH1 . ARG A 1 346 ? -21.468 -7.925 46.774 1.00 29.05 ? 428 ARG A NH1 1 ATOM 2724 N NH2 . ARG A 1 346 ? -20.736 -8.663 44.722 1.00 23.14 ? 428 ARG A NH2 1 ATOM 2725 N N . GLY A 1 347 ? -22.134 -2.100 45.796 1.00 23.32 ? 429 GLY A N 1 ATOM 2726 C CA . GLY A 1 347 ? -22.114 -0.907 46.629 1.00 24.08 ? 429 GLY A CA 1 ATOM 2727 C C . GLY A 1 347 ? -23.496 -0.303 46.824 1.00 24.24 ? 429 GLY A C 1 ATOM 2728 O O . GLY A 1 347 ? -24.508 -0.982 46.627 1.00 23.14 ? 429 GLY A O 1 ATOM 2729 N N . ARG A 1 348 ? -23.545 0.974 47.196 1.00 28.37 ? 430 ARG A N 1 ATOM 2730 C CA . ARG A 1 348 ? -24.823 1.643 47.457 1.00 29.10 ? 430 ARG A CA 1 ATOM 2731 C C . ARG A 1 348 ? -25.718 1.711 46.219 1.00 28.90 ? 430 ARG A C 1 ATOM 2732 O O . ARG A 1 348 ? -25.236 1.938 45.116 1.00 26.41 ? 430 ARG A O 1 ATOM 2733 C CB . ARG A 1 348 ? -24.592 3.051 48.006 1.00 28.12 ? 430 ARG A CB 1 ATOM 2734 C CG . ARG A 1 348 ? -23.832 3.098 49.321 1.00 28.60 ? 430 ARG A CG 1 ATOM 2735 C CD . ARG A 1 348 ? -23.755 4.521 49.823 1.00 39.70 ? 430 ARG A CD 1 ATOM 2736 N NE . ARG A 1 348 ? -25.079 5.135 49.865 1.00 45.60 ? 430 ARG A NE 1 ATOM 2737 C CZ . ARG A 1 348 ? -25.305 6.444 49.804 1.00 46.43 ? 430 ARG A CZ 1 ATOM 2738 N NH1 . ARG A 1 348 ? -24.287 7.291 49.687 1.00 44.40 ? 430 ARG A NH1 1 ATOM 2739 N NH2 . ARG A 1 348 ? -26.549 6.904 49.850 1.00 46.20 ? 430 ARG A NH2 1 ATOM 2740 N N . PRO A 1 349 ? -27.040 1.542 46.403 1.00 26.81 ? 431 PRO A N 1 ATOM 2741 C CA . PRO A 1 349 ? -27.711 1.354 47.689 1.00 29.07 ? 431 PRO A CA 1 ATOM 2742 C C . PRO A 1 349 ? -28.026 -0.110 47.961 1.00 30.23 ? 431 PRO A C 1 ATOM 2743 O O . PRO A 1 349 ? -28.901 -0.402 48.779 1.00 31.51 ? 431 PRO A O 1 ATOM 2744 C CB . PRO A 1 349 ? -29.026 2.098 47.478 1.00 28.76 ? 431 PRO A CB 1 ATOM 2745 C CG . PRO A 1 349 ? -29.326 1.900 45.993 1.00 30.13 ? 431 PRO A CG 1 ATOM 2746 C CD . PRO A 1 349 ? -28.016 1.530 45.299 1.00 25.99 ? 431 PRO A CD 1 ATOM 2747 N N . ASN A 1 350 A -27.338 -1.019 47.280 1.00 31.91 ? 432 ASN A N 1 ATOM 2748 C CA . ASN A 1 350 A -27.622 -2.445 47.423 1.00 30.27 ? 432 ASN A CA 1 ATOM 2749 C C . ASN A 1 350 A -27.589 -2.948 48.858 1.00 32.28 ? 432 ASN A C 1 ATOM 2750 O O . ASN A 1 350 A -26.628 -2.724 49.593 1.00 29.12 ? 432 ASN A O 1 ATOM 2751 C CB . ASN A 1 350 A -26.684 -3.279 46.551 1.00 27.45 ? 432 ASN A CB 1 ATOM 2752 C CG . ASN A 1 350 A -26.958 -3.095 45.073 1.00 28.25 ? 432 ASN A CG 1 ATOM 2753 O OD1 . ASN A 1 350 A -27.942 -2.466 44.691 1.00 29.04 ? 432 ASN A OD1 1 ATOM 2754 N ND2 . ASN A 1 350 A -26.089 -3.647 44.233 1.00 24.92 ? 432 ASN A ND2 1 ATOM 2755 N N . LYS A 1 351 ? -28.657 -3.639 49.240 1.00 34.78 ? 432 LYS A N 1 ATOM 2756 C CA . LYS A 1 351 ? -28.783 -4.202 50.576 1.00 39.27 ? 432 LYS A CA 1 ATOM 2757 C C . LYS A 1 351 ? -27.606 -5.118 50.892 1.00 34.67 ? 432 LYS A C 1 ATOM 2758 O O . LYS A 1 351 ? -27.301 -6.037 50.133 1.00 31.57 ? 432 LYS A O 1 ATOM 2759 C CB . LYS A 1 351 ? -30.105 -4.969 50.695 1.00 38.92 ? 432 LYS A CB 1 ATOM 2760 C CG . LYS A 1 351 ? -30.433 -5.470 52.092 1.00 42.83 ? 432 LYS A CG 1 ATOM 2761 C CD . LYS A 1 351 ? -31.822 -6.098 52.120 1.00 44.82 ? 432 LYS A CD 1 ATOM 2762 C CE . LYS A 1 351 ? -32.223 -6.522 53.522 1.00 48.99 ? 432 LYS A CE 1 ATOM 2763 N NZ . LYS A 1 351 ? -33.557 -7.202 53.529 1.00 45.19 ? 432 LYS A NZ 1 ATOM 2764 N N . ASN A 1 352 ? -26.939 -4.840 52.007 1.00 32.63 ? 433 ASN A N 1 ATOM 2765 C CA . ASN A 1 352 ? -25.842 -5.670 52.500 1.00 34.17 ? 433 ASN A CA 1 ATOM 2766 C C . ASN A 1 352 ? -24.482 -5.449 51.827 1.00 33.15 ? 433 ASN A C 1 ATOM 2767 O O . ASN A 1 352 ? -23.486 -6.035 52.245 1.00 32.34 ? 433 ASN A O 1 ATOM 2768 C CB . ASN A 1 352 ? -26.214 -7.153 52.485 1.00 32.44 ? 433 ASN A CB 1 ATOM 2769 C CG . ASN A 1 352 ? -27.287 -7.494 53.506 1.00 43.35 ? 433 ASN A CG 1 ATOM 2770 O OD1 . ASN A 1 352 ? -27.980 -8.507 53.384 1.00 47.66 ? 433 ASN A OD1 1 ATOM 2771 N ND2 . ASN A 1 352 ? -27.433 -6.642 54.516 1.00 39.19 ? 433 ASN A ND2 1 ATOM 2772 N N . ASP A 1 353 ? -24.438 -4.612 50.793 1.00 32.94 ? 434 ASP A N 1 ATOM 2773 C CA . ASP A 1 353 ? -23.153 -4.158 50.266 1.00 31.39 ? 434 ASP A CA 1 ATOM 2774 C C . ASP A 1 353 ? -22.664 -3.005 51.124 1.00 28.29 ? 434 ASP A C 1 ATOM 2775 O O . ASP A 1 353 ? -22.905 -1.829 50.825 1.00 29.93 ? 434 ASP A O 1 ATOM 2776 C CB . ASP A 1 353 ? -23.250 -3.750 48.796 1.00 29.05 ? 434 ASP A CB 1 ATOM 2777 C CG . ASP A 1 353 ? -23.154 -4.937 47.865 1.00 25.82 ? 434 ASP A CG 1 ATOM 2778 O OD1 . ASP A 1 353 ? -23.011 -6.066 48.373 1.00 31.06 ? 434 ASP A OD1 1 ATOM 2779 O OD2 . ASP A 1 353 ? -23.228 -4.753 46.631 1.00 25.05 ? 434 ASP A OD2 1 ATOM 2780 N N . ASP A 1 354 ? -21.976 -3.361 52.201 1.00 34.47 ? 435 ASP A N 1 ATOM 2781 C CA . ASP A 1 354 ? -21.580 -2.400 53.220 1.00 38.58 ? 435 ASP A CA 1 ATOM 2782 C C . ASP A 1 354 ? -20.308 -1.643 52.848 1.00 39.03 ? 435 ASP A C 1 ATOM 2783 O O . ASP A 1 354 ? -19.244 -1.863 53.435 1.00 37.74 ? 435 ASP A O 1 ATOM 2784 C CB . ASP A 1 354 ? -21.390 -3.113 54.563 1.00 47.10 ? 435 ASP A CB 1 ATOM 2785 C CG . ASP A 1 354 ? -21.122 -2.146 55.705 1.00 55.09 ? 435 ASP A CG 1 ATOM 2786 O OD1 . ASP A 1 354 ? -21.757 -1.062 55.721 1.00 54.69 ? 435 ASP A OD1 1 ATOM 2787 O OD2 . ASP A 1 354 ? -20.289 -2.479 56.584 1.00 57.43 ? 435 ASP A OD2 1 ATOM 2788 N N . VAL A 1 355 ? -20.433 -0.748 51.875 1.00 31.90 ? 436 VAL A N 1 ATOM 2789 C CA . VAL A 1 355 ? -19.330 0.109 51.461 1.00 29.68 ? 436 VAL A CA 1 ATOM 2790 C C . VAL A 1 355 ? -19.875 1.503 51.164 1.00 26.23 ? 436 VAL A C 1 ATOM 2791 O O . VAL A 1 355 ? -21.093 1.683 51.049 1.00 30.11 ? 436 VAL A O 1 ATOM 2792 C CB . VAL A 1 355 ? -18.616 -0.450 50.213 1.00 24.83 ? 436 VAL A CB 1 ATOM 2793 C CG1 . VAL A 1 355 ? -17.962 -1.781 50.528 1.00 28.23 ? 436 VAL A CG1 1 ATOM 2794 C CG2 . VAL A 1 355 ? -19.590 -0.597 49.059 1.00 25.31 ? 436 VAL A CG2 1 ATOM 2795 N N . SER A 1 356 ? -18.985 2.490 51.043 1.00 26.41 ? 437 SER A N 1 ATOM 2796 C CA . SER A 1 356 ? -19.410 3.870 50.812 1.00 27.95 ? 437 SER A CA 1 ATOM 2797 C C . SER A 1 356 ? -19.533 4.207 49.326 1.00 25.34 ? 437 SER A C 1 ATOM 2798 O O . SER A 1 356 ? -20.163 5.202 48.961 1.00 24.04 ? 437 SER A O 1 ATOM 2799 C CB . SER A 1 356 ? -18.474 4.868 51.511 1.00 28.05 ? 437 SER A CB 1 ATOM 2800 O OG . SER A 1 356 ? -17.246 5.037 50.816 1.00 28.97 ? 437 SER A OG 1 ATOM 2801 N N . TRP A 1 357 ? -18.940 3.369 48.473 1.00 26.34 ? 438 TRP A N 1 ATOM 2802 C CA . TRP A 1 357 ? -18.925 3.629 47.033 1.00 23.06 ? 438 TRP A CA 1 ATOM 2803 C C . TRP A 1 357 ? -19.998 2.865 46.262 1.00 21.07 ? 438 TRP A C 1 ATOM 2804 O O . TRP A 1 357 ? -20.682 1.980 46.798 1.00 21.51 ? 438 TRP A O 1 ATOM 2805 C CB . TRP A 1 357 ? -17.546 3.313 46.437 1.00 20.76 ? 438 TRP A CB 1 ATOM 2806 C CG . TRP A 1 357 ? -16.979 1.996 46.887 1.00 21.43 ? 438 TRP A CG 1 ATOM 2807 C CD1 . TRP A 1 357 ? -16.038 1.805 47.847 1.00 22.01 ? 438 TRP A CD1 1 ATOM 2808 C CD2 . TRP A 1 357 ? -17.319 0.691 46.397 1.00 21.97 ? 438 TRP A CD2 1 ATOM 2809 N NE1 . TRP A 1 357 ? -15.765 0.469 47.989 1.00 20.43 ? 438 TRP A NE1 1 ATOM 2810 C CE2 . TRP A 1 357 ? -16.542 -0.241 47.109 1.00 21.57 ? 438 TRP A CE2 1 ATOM 2811 C CE3 . TRP A 1 357 ? -18.210 0.217 45.428 1.00 19.50 ? 438 TRP A CE3 1 ATOM 2812 C CZ2 . TRP A 1 357 ? -16.615 -1.616 46.882 1.00 19.25 ? 438 TRP A CZ2 1 ATOM 2813 C CZ3 . TRP A 1 357 ? -18.287 -1.146 45.204 1.00 21.54 ? 438 TRP A CZ3 1 ATOM 2814 C CH2 . TRP A 1 357 ? -17.499 -2.047 45.929 1.00 21.54 ? 438 TRP A CH2 1 ATOM 2815 N N . THR A 1 358 ? -20.134 3.225 44.992 1.00 18.01 ? 439 THR A N 1 ATOM 2816 C CA . THR A 1 358 ? -21.015 2.535 44.064 1.00 20.98 ? 439 THR A CA 1 ATOM 2817 C C . THR A 1 358 ? -20.226 2.315 42.783 1.00 17.55 ? 439 THR A C 1 ATOM 2818 O O . THR A 1 358 ? -19.710 3.264 42.214 1.00 16.75 ? 439 THR A O 1 ATOM 2819 C CB . THR A 1 358 ? -22.265 3.378 43.724 1.00 21.91 ? 439 THR A CB 1 ATOM 2820 O OG1 . THR A 1 358 ? -23.023 3.628 44.915 1.00 22.26 ? 439 THR A OG1 1 ATOM 2821 C CG2 . THR A 1 358 ? -23.144 2.660 42.702 1.00 18.51 ? 439 THR A CG2 1 ATOM 2822 N N . SER A 1 359 ? -20.134 1.071 42.336 1.00 19.65 ? 440 SER A N 1 ATOM 2823 C CA . SER A 1 359 ? -19.452 0.775 41.082 1.00 17.52 ? 440 SER A CA 1 ATOM 2824 C C . SER A 1 359 ? -20.054 -0.478 40.460 1.00 20.69 ? 440 SER A C 1 ATOM 2825 O O . SER A 1 359 ? -21.148 -0.889 40.831 1.00 18.48 ? 440 SER A O 1 ATOM 2826 C CB . SER A 1 359 ? -17.945 0.635 41.310 1.00 17.22 ? 440 SER A CB 1 ATOM 2827 O OG . SER A 1 359 ? -17.219 0.733 40.091 1.00 15.90 ? 440 SER A OG 1 ATOM 2828 N N . ASN A 1 360 ? -19.355 -1.087 39.510 1.00 18.50 ? 441 ASN A N 1 ATOM 2829 C CA . ASN A 1 360 ? -19.922 -2.217 38.802 1.00 15.59 ? 441 ASN A CA 1 ATOM 2830 C C . ASN A 1 360 ? -18.854 -3.022 38.103 1.00 13.93 ? 441 ASN A C 1 ATOM 2831 O O . ASN A 1 360 ? -17.751 -2.530 37.867 1.00 13.56 ? 441 ASN A O 1 ATOM 2832 C CB . ASN A 1 360 ? -20.883 -1.732 37.728 1.00 13.26 ? 441 ASN A CB 1 ATOM 2833 C CG . ASN A 1 360 ? -20.151 -1.086 36.558 1.00 13.87 ? 441 ASN A CG 1 ATOM 2834 O OD1 . ASN A 1 360 ? -19.757 0.081 36.628 1.00 16.19 ? 441 ASN A OD1 1 ATOM 2835 N ND2 . ASN A 1 360 ? -19.957 -1.854 35.485 1.00 12.02 ? 441 ASN A ND2 1 ATOM 2836 N N . SER A 1 361 ? -19.191 -4.263 37.775 1.00 13.83 ? 442 SER A N 1 ATOM 2837 C CA . SER A 1 361 ? -18.392 -5.030 36.829 1.00 13.30 ? 442 SER A CA 1 ATOM 2838 C C . SER A 1 361 ? -19.258 -5.297 35.613 1.00 12.44 ? 442 SER A C 1 ATOM 2839 O O . SER A 1 361 ? -20.387 -4.821 35.537 1.00 14.16 ? 442 SER A O 1 ATOM 2840 C CB . SER A 1 361 ? -17.840 -6.333 37.430 1.00 14.19 ? 442 SER A CB 1 ATOM 2841 O OG . SER A 1 361 ? -18.866 -7.192 37.878 1.00 15.52 ? 442 SER A OG 1 ATOM 2842 N N . ILE A 1 362 ? -18.717 -6.033 34.657 1.00 12.42 ? 443 ILE A N 1 ATOM 2843 C CA . ILE A 1 362 ? -19.399 -6.288 33.401 1.00 15.94 ? 443 ILE A CA 1 ATOM 2844 C C . ILE A 1 362 ? -19.357 -7.759 33.039 1.00 15.23 ? 443 ILE A C 1 ATOM 2845 O O . ILE A 1 362 ? -18.340 -8.440 33.247 1.00 15.48 ? 443 ILE A O 1 ATOM 2846 C CB . ILE A 1 362 ? -18.730 -5.512 32.235 1.00 13.68 ? 443 ILE A CB 1 ATOM 2847 C CG1 . ILE A 1 362 ? -18.775 -4.008 32.504 1.00 14.36 ? 443 ILE A CG1 1 ATOM 2848 C CG2 . ILE A 1 362 ? -19.435 -5.811 30.912 1.00 15.58 ? 443 ILE A CG2 1 ATOM 2849 C CD1 . ILE A 1 362 ? -17.913 -3.203 31.543 1.00 11.75 ? 443 ILE A CD1 1 ATOM 2850 N N . VAL A 1 363 ? -20.452 -8.253 32.481 1.00 14.14 ? 444 VAL A N 1 ATOM 2851 C CA . VAL A 1 363 ? -20.424 -9.553 31.838 1.00 14.15 ? 444 VAL A CA 1 ATOM 2852 C C . VAL A 1 363 ? -21.149 -9.427 30.502 1.00 11.91 ? 444 VAL A C 1 ATOM 2853 O O . VAL A 1 363 ? -22.026 -8.596 30.350 1.00 14.43 ? 444 VAL A O 1 ATOM 2854 C CB . VAL A 1 363 ? -21.048 -10.640 32.724 1.00 12.93 ? 444 VAL A CB 1 ATOM 2855 C CG1 . VAL A 1 363 ? -22.564 -10.370 32.943 1.00 12.73 ? 444 VAL A CG1 1 ATOM 2856 C CG2 . VAL A 1 363 ? -20.782 -12.030 32.134 1.00 13.61 ? 444 VAL A CG2 1 ATOM 2857 N N . THR A 1 364 ? -20.746 -10.222 29.525 1.00 11.35 ? 445 THR A N 1 ATOM 2858 C CA . THR A 1 364 ? -21.317 -10.115 28.192 1.00 12.57 ? 445 THR A CA 1 ATOM 2859 C C . THR A 1 364 ? -21.681 -11.474 27.605 1.00 13.10 ? 445 THR A C 1 ATOM 2860 O O . THR A 1 364 ? -21.086 -12.499 27.952 1.00 12.29 ? 445 THR A O 1 ATOM 2861 C CB . THR A 1 364 ? -20.348 -9.393 27.236 1.00 12.03 ? 445 THR A CB 1 ATOM 2862 O OG1 . THR A 1 364 ? -19.107 -10.106 27.195 1.00 12.08 ? 445 THR A OG1 1 ATOM 2863 C CG2 . THR A 1 364 ? -20.074 -7.976 27.728 1.00 14.89 ? 445 THR A CG2 1 ATOM 2864 N N . PHE A 1 365 ? -22.669 -11.478 26.715 1.00 13.73 ? 446 PHE A N 1 ATOM 2865 C CA . PHE A 1 365 ? -23.122 -12.690 26.042 1.00 12.58 ? 446 PHE A CA 1 ATOM 2866 C C . PHE A 1 365 ? -23.371 -12.397 24.572 1.00 13.49 ? 446 PHE A C 1 ATOM 2867 O O . PHE A 1 365 ? -23.765 -11.292 24.224 1.00 13.83 ? 446 PHE A O 1 ATOM 2868 C CB . PHE A 1 365 ? -24.420 -13.215 26.694 1.00 12.86 ? 446 PHE A CB 1 ATOM 2869 C CG . PHE A 1 365 ? -24.257 -13.524 28.153 1.00 14.13 ? 446 PHE A CG 1 ATOM 2870 C CD1 . PHE A 1 365 ? -24.383 -12.524 29.109 1.00 14.55 ? 446 PHE A CD1 1 ATOM 2871 C CD2 . PHE A 1 365 ? -23.937 -14.809 28.563 1.00 16.85 ? 446 PHE A CD2 1 ATOM 2872 C CE1 . PHE A 1 365 ? -24.204 -12.807 30.452 1.00 15.93 ? 446 PHE A CE1 1 ATOM 2873 C CE2 . PHE A 1 365 ? -23.750 -15.096 29.905 1.00 16.03 ? 446 PHE A CE2 1 ATOM 2874 C CZ . PHE A 1 365 ? -23.893 -14.105 30.848 1.00 15.21 ? 446 PHE A CZ 1 ATOM 2875 N N . CYS A 1 366 ? -23.129 -13.384 23.711 1.00 14.57 ? 447 CYS A N 1 ATOM 2876 C CA . CYS A 1 366 ? -23.484 -13.255 22.297 1.00 14.92 ? 447 CYS A CA 1 ATOM 2877 C C . CYS A 1 366 ? -24.386 -14.367 21.805 1.00 15.42 ? 447 CYS A C 1 ATOM 2878 O O . CYS A 1 366 ? -24.360 -15.492 22.313 1.00 15.93 ? 447 CYS A O 1 ATOM 2879 C CB . CYS A 1 366 ? -22.260 -13.206 21.398 1.00 12.59 ? 447 CYS A CB 1 ATOM 2880 S SG . CYS A 1 366 ? -21.368 -11.645 21.534 1.00 15.67 ? 447 CYS A SG 1 ATOM 2881 N N . GLY A 1 367 ? -25.178 -14.041 20.791 1.00 17.44 ? 448 GLY A N 1 ATOM 2882 C CA . GLY A 1 367 ? -26.127 -14.989 20.237 1.00 16.99 ? 448 GLY A CA 1 ATOM 2883 C C . GLY A 1 367 ? -25.541 -15.878 19.155 1.00 15.52 ? 448 GLY A C 1 ATOM 2884 O O . GLY A 1 367 ? -24.858 -15.410 18.235 1.00 17.29 ? 448 GLY A O 1 ATOM 2885 N N . LEU A 1 368 ? -25.821 -17.179 19.259 1.00 16.68 ? 449 LEU A N 1 ATOM 2886 C CA . LEU A 1 368 ? -25.432 -18.135 18.233 1.00 16.11 ? 449 LEU A CA 1 ATOM 2887 C C . LEU A 1 368 ? -26.648 -18.989 17.899 1.00 17.70 ? 449 LEU A C 1 ATOM 2888 O O . LEU A 1 368 ? -27.534 -19.157 18.734 1.00 19.56 ? 449 LEU A O 1 ATOM 2889 C CB . LEU A 1 368 ? -24.308 -19.062 18.721 1.00 15.53 ? 449 LEU A CB 1 ATOM 2890 C CG . LEU A 1 368 ? -22.964 -18.418 19.063 1.00 15.59 ? 449 LEU A CG 1 ATOM 2891 C CD1 . LEU A 1 368 ? -22.072 -19.468 19.723 1.00 15.42 ? 449 LEU A CD1 1 ATOM 2892 C CD2 . LEU A 1 368 ? -22.313 -17.866 17.821 1.00 15.45 ? 449 LEU A CD2 1 ATOM 2893 N N . ASP A 1 369 ? -26.666 -19.538 16.690 1.00 18.06 ? 450 ASP A N 1 ATOM 2894 C CA . ASP A 1 369 ? -27.740 -20.431 16.267 1.00 20.22 ? 450 ASP A CA 1 ATOM 2895 C C . ASP A 1 369 ? -27.481 -21.861 16.759 1.00 23.63 ? 450 ASP A C 1 ATOM 2896 O O . ASP A 1 369 ? -27.738 -22.822 16.040 1.00 25.21 ? 450 ASP A O 1 ATOM 2897 C CB . ASP A 1 369 ? -27.829 -20.421 14.743 1.00 21.05 ? 450 ASP A CB 1 ATOM 2898 C CG . ASP A 1 369 ? -29.177 -20.885 14.235 1.00 28.05 ? 450 ASP A CG 1 ATOM 2899 O OD1 . ASP A 1 369 ? -30.145 -20.869 15.021 1.00 31.51 ? 450 ASP A OD1 1 ATOM 2900 O OD2 . ASP A 1 369 ? -29.257 -21.245 13.043 1.00 33.95 ? 450 ASP A OD2 1 ATOM 2901 N N . ASN A 1 370 ? -26.975 -21.980 17.985 1.00 20.18 ? 451 ASN A N 1 ATOM 2902 C CA . ASN A 1 370 ? -26.698 -23.264 18.623 1.00 21.10 ? 451 ASN A CA 1 ATOM 2903 C C . ASN A 1 370 ? -27.390 -23.308 19.978 1.00 22.42 ? 451 ASN A C 1 ATOM 2904 O O . ASN A 1 370 ? -27.729 -22.273 20.546 1.00 22.55 ? 451 ASN A O 1 ATOM 2905 C CB . ASN A 1 370 ? -25.189 -23.463 18.835 1.00 18.15 ? 451 ASN A CB 1 ATOM 2906 C CG . ASN A 1 370 ? -24.386 -23.441 17.537 1.00 24.28 ? 451 ASN A CG 1 ATOM 2907 O OD1 . ASN A 1 370 ? -24.874 -23.800 16.466 1.00 26.47 ? 451 ASN A OD1 1 ATOM 2908 N ND2 . ASN A 1 370 ? -23.132 -23.022 17.640 1.00 22.49 ? 451 ASN A ND2 1 ATOM 2909 N N . GLU A 1 371 ? -27.593 -24.510 20.502 1.00 24.89 ? 452 GLU A N 1 ATOM 2910 C CA . GLU A 1 371 ? -28.174 -24.683 21.822 1.00 24.30 ? 452 GLU A CA 1 ATOM 2911 C C . GLU A 1 371 ? -27.129 -24.389 22.891 1.00 22.72 ? 452 GLU A C 1 ATOM 2912 O O . GLU A 1 371 ? -26.021 -24.929 22.837 1.00 23.76 ? 452 GLU A O 1 ATOM 2913 C CB . GLU A 1 371 ? -28.662 -26.129 21.986 1.00 29.16 ? 452 GLU A CB 1 ATOM 2914 C CG . GLU A 1 371 ? -30.169 -26.300 22.088 1.00 39.87 ? 452 GLU A CG 1 ATOM 2915 C CD . GLU A 1 371 ? -30.885 -26.076 20.767 1.00 47.27 ? 452 GLU A CD 1 ATOM 2916 O OE1 . GLU A 1 371 ? -31.111 -24.900 20.411 1.00 47.08 ? 452 GLU A OE1 1 ATOM 2917 O OE2 . GLU A 1 371 ? -31.234 -27.073 20.092 1.00 52.34 ? 452 GLU A OE2 1 ATOM 2918 N N . PRO A 1 372 ? -27.479 -23.553 23.881 1.00 23.66 ? 453 PRO A N 1 ATOM 2919 C CA . PRO A 1 372 ? -26.552 -23.227 24.972 1.00 26.00 ? 453 PRO A CA 1 ATOM 2920 C C . PRO A 1 372 ? -26.551 -24.262 26.087 1.00 28.14 ? 453 PRO A C 1 ATOM 2921 O O . PRO A 1 372 ? -27.451 -25.115 26.181 1.00 26.83 ? 453 PRO A O 1 ATOM 2922 C CB . PRO A 1 372 ? -27.115 -21.927 25.552 1.00 24.85 ? 453 PRO A CB 1 ATOM 2923 C CG . PRO A 1 372 ? -28.444 -21.714 24.897 1.00 24.68 ? 453 PRO A CG 1 ATOM 2924 C CD . PRO A 1 372 ? -28.760 -22.839 24.001 1.00 22.20 ? 453 PRO A CD 1 ATOM 2925 N N . GLY A 1 373 ? -25.539 -24.165 26.938 1.00 23.85 ? 454 GLY A N 1 ATOM 2926 C CA . GLY A 1 373 ? -25.509 -24.896 28.186 1.00 25.78 ? 454 GLY A CA 1 ATOM 2927 C C . GLY A 1 373 ? -26.104 -23.996 29.244 1.00 23.85 ? 454 GLY A C 1 ATOM 2928 O O . GLY A 1 373 ? -26.953 -23.152 28.944 1.00 23.90 ? 454 GLY A O 1 ATOM 2929 N N . SER A 1 374 ? -25.661 -24.155 30.483 1.00 21.08 ? 455 SER A N 1 ATOM 2930 C CA . SER A 1 374 ? -26.142 -23.306 31.558 1.00 23.43 ? 455 SER A CA 1 ATOM 2931 C C . SER A 1 374 ? -25.028 -23.004 32.546 1.00 23.97 ? 455 SER A C 1 ATOM 2932 O O . SER A 1 374 ? -24.076 -23.778 32.698 1.00 25.88 ? 455 SER A O 1 ATOM 2933 C CB . SER A 1 374 ? -27.350 -23.932 32.276 1.00 23.46 ? 455 SER A CB 1 ATOM 2934 O OG . SER A 1 374 ? -27.002 -25.166 32.876 1.00 31.44 ? 455 SER A OG 1 ATOM 2935 N N . GLY A 1 375 ? -25.154 -21.867 33.211 1.00 23.22 ? 456 GLY A N 1 ATOM 2936 C CA . GLY A 1 375 ? -24.167 -21.424 34.169 1.00 22.73 ? 456 GLY A CA 1 ATOM 2937 C C . GLY A 1 375 ? -24.660 -20.199 34.905 1.00 22.76 ? 456 GLY A C 1 ATOM 2938 O O . GLY A 1 375 ? -25.830 -19.832 34.821 1.00 24.57 ? 456 GLY A O 1 ATOM 2939 N N . ASN A 1 376 ? -23.753 -19.575 35.639 1.00 22.04 ? 457 ASN A N 1 ATOM 2940 C CA . ASN A 1 376 ? -24.052 -18.403 36.442 1.00 22.27 ? 457 ASN A CA 1 ATOM 2941 C C . ASN A 1 376 ? -22.785 -17.567 36.453 1.00 19.62 ? 457 ASN A C 1 ATOM 2942 O O . ASN A 1 376 ? -21.720 -18.074 36.805 1.00 18.37 ? 457 ASN A O 1 ATOM 2943 C CB . ASN A 1 376 ? -24.385 -18.848 37.861 1.00 25.93 ? 457 ASN A CB 1 ATOM 2944 C CG . ASN A 1 376 ? -24.756 -17.703 38.759 1.00 24.97 ? 457 ASN A CG 1 ATOM 2945 O OD1 . ASN A 1 376 ? -25.512 -16.810 38.369 1.00 26.60 ? 457 ASN A OD1 1 ATOM 2946 N ND2 . ASN A 1 376 ? -24.241 -17.723 39.983 1.00 29.72 ? 457 ASN A ND2 1 ATOM 2947 N N . TRP A 1 377 ? -22.898 -16.298 36.064 1.00 18.52 ? 458 TRP A N 1 ATOM 2948 C CA . TRP A 1 377 ? -21.723 -15.440 35.934 1.00 18.29 ? 458 TRP A CA 1 ATOM 2949 C C . TRP A 1 377 ? -21.976 -14.083 36.584 1.00 19.40 ? 458 TRP A C 1 ATOM 2950 O O . TRP A 1 377 ? -22.085 -13.058 35.894 1.00 17.88 ? 458 TRP A O 1 ATOM 2951 C CB . TRP A 1 377 ? -21.339 -15.275 34.459 1.00 14.63 ? 458 TRP A CB 1 ATOM 2952 C CG . TRP A 1 377 ? -20.941 -16.558 33.779 1.00 16.36 ? 458 TRP A CG 1 ATOM 2953 C CD1 . TRP A 1 377 ? -19.679 -17.112 33.716 1.00 15.50 ? 458 TRP A CD1 1 ATOM 2954 C CD2 . TRP A 1 377 ? -21.800 -17.441 33.052 1.00 15.91 ? 458 TRP A CD2 1 ATOM 2955 N NE1 . TRP A 1 377 ? -19.715 -18.287 32.997 1.00 15.01 ? 458 TRP A NE1 1 ATOM 2956 C CE2 . TRP A 1 377 ? -21.008 -18.513 32.585 1.00 16.01 ? 458 TRP A CE2 1 ATOM 2957 C CE3 . TRP A 1 377 ? -23.172 -17.435 32.762 1.00 17.85 ? 458 TRP A CE3 1 ATOM 2958 C CZ2 . TRP A 1 377 ? -21.540 -19.558 31.834 1.00 17.57 ? 458 TRP A CZ2 1 ATOM 2959 C CZ3 . TRP A 1 377 ? -23.698 -18.474 32.017 1.00 16.15 ? 458 TRP A CZ3 1 ATOM 2960 C CH2 . TRP A 1 377 ? -22.885 -19.530 31.565 1.00 18.20 ? 458 TRP A CH2 1 ATOM 2961 N N . PRO A 1 378 ? -22.059 -14.067 37.925 1.00 18.99 ? 459 PRO A N 1 ATOM 2962 C CA . PRO A 1 378 ? -22.322 -12.857 38.712 1.00 20.90 ? 459 PRO A CA 1 ATOM 2963 C C . PRO A 1 378 ? -21.052 -12.067 38.986 1.00 17.38 ? 459 PRO A C 1 ATOM 2964 O O . PRO A 1 378 ? -19.959 -12.510 38.629 1.00 16.72 ? 459 PRO A O 1 ATOM 2965 C CB . PRO A 1 378 ? -22.835 -13.423 40.031 1.00 19.44 ? 459 PRO A CB 1 ATOM 2966 C CG . PRO A 1 378 ? -22.060 -14.688 40.188 1.00 21.28 ? 459 PRO A CG 1 ATOM 2967 C CD . PRO A 1 378 ? -21.848 -15.243 38.790 1.00 17.29 ? 459 PRO A CD 1 ATOM 2968 N N . ASP A 1 379 ? -21.189 -10.929 39.656 1.00 17.87 ? 460 ASP A N 1 ATOM 2969 C CA . ASP A 1 379 ? -20.029 -10.109 39.977 1.00 15.13 ? 460 ASP A CA 1 ATOM 2970 C C . ASP A 1 379 ? -18.933 -10.915 40.695 1.00 18.89 ? 460 ASP A C 1 ATOM 2971 O O . ASP A 1 379 ? -17.758 -10.830 40.362 1.00 17.89 ? 460 ASP A O 1 ATOM 2972 C CB . ASP A 1 379 ? -20.438 -8.913 40.823 1.00 17.56 ? 460 ASP A CB 1 ATOM 2973 C CG . ASP A 1 379 ? -19.245 -8.167 41.358 1.00 20.29 ? 460 ASP A CG 1 ATOM 2974 O OD1 . ASP A 1 379 ? -18.604 -7.415 40.584 1.00 17.33 ? 460 ASP A OD1 1 ATOM 2975 O OD2 . ASP A 1 379 ? -18.921 -8.352 42.545 1.00 20.57 ? 460 ASP A OD2 1 ATOM 2976 N N . GLY A 1 380 ? -19.337 -11.705 41.682 1.00 20.76 ? 461 GLY A N 1 ATOM 2977 C CA . GLY A 1 380 ? -18.427 -12.613 42.351 1.00 19.68 ? 461 GLY A CA 1 ATOM 2978 C C . GLY A 1 380 ? -17.603 -12.024 43.479 1.00 21.17 ? 461 GLY A C 1 ATOM 2979 O O . GLY A 1 380 ? -16.820 -12.742 44.102 1.00 21.71 ? 461 GLY A O 1 ATOM 2980 N N . SER A 1 381 ? -17.764 -10.730 43.742 1.00 19.43 ? 462 SER A N 1 ATOM 2981 C CA . SER A 1 381 ? -17.034 -10.076 44.825 1.00 19.86 ? 462 SER A CA 1 ATOM 2982 C C . SER A 1 381 ? -17.594 -10.414 46.199 1.00 23.56 ? 462 SER A C 1 ATOM 2983 O O . SER A 1 381 ? -18.805 -10.414 46.401 1.00 24.55 ? 462 SER A O 1 ATOM 2984 C CB . SER A 1 381 ? -17.046 -8.555 44.658 1.00 23.08 ? 462 SER A CB 1 ATOM 2985 O OG . SER A 1 381 ? -16.340 -8.190 43.493 1.00 24.10 ? 462 SER A OG 1 ATOM 2986 N N . ASN A 1 382 ? -16.698 -10.700 47.136 1.00 21.05 ? 463 ASN A N 1 ATOM 2987 C CA . ASN A 1 382 ? -17.063 -10.781 48.540 1.00 24.59 ? 463 ASN A CA 1 ATOM 2988 C C . ASN A 1 382 ? -16.972 -9.370 49.091 1.00 25.67 ? 463 ASN A C 1 ATOM 2989 O O . ASN A 1 382 ? -15.878 -8.873 49.361 1.00 25.85 ? 463 ASN A O 1 ATOM 2990 C CB . ASN A 1 382 ? -16.108 -11.722 49.277 1.00 26.84 ? 463 ASN A CB 1 ATOM 2991 C CG . ASN A 1 382 ? -16.478 -11.917 50.736 1.00 30.64 ? 463 ASN A CG 1 ATOM 2992 O OD1 . ASN A 1 382 ? -16.976 -11.002 51.391 1.00 32.12 ? 463 ASN A OD1 1 ATOM 2993 N ND2 . ASN A 1 382 ? -16.217 -13.115 51.256 1.00 31.28 ? 463 ASN A ND2 1 ATOM 2994 N N . ILE A 1 383 ? -18.119 -8.710 49.233 1.00 25.84 ? 464 ILE A N 1 ATOM 2995 C CA . ILE A 1 383 ? -18.124 -7.290 49.563 1.00 25.01 ? 464 ILE A CA 1 ATOM 2996 C C . ILE A 1 383 ? -17.390 -7.026 50.876 1.00 29.30 ? 464 ILE A C 1 ATOM 2997 O O . ILE A 1 383 ? -16.902 -5.918 51.121 1.00 32.41 ? 464 ILE A O 1 ATOM 2998 C CB . ILE A 1 383 ? -19.547 -6.726 49.629 1.00 29.49 ? 464 ILE A CB 1 ATOM 2999 C CG1 . ILE A 1 383 ? -19.521 -5.207 49.448 1.00 31.98 ? 464 ILE A CG1 1 ATOM 3000 C CG2 . ILE A 1 383 ? -20.220 -7.138 50.929 1.00 32.86 ? 464 ILE A CG2 1 ATOM 3001 C CD1 . ILE A 1 383 ? -19.014 -4.770 48.077 1.00 26.35 ? 464 ILE A CD1 1 ATOM 3002 N N . GLY A 1 384 ? -17.295 -8.060 51.708 1.00 33.93 ? 465 GLY A N 1 ATOM 3003 C CA . GLY A 1 384 ? -16.606 -7.950 52.979 1.00 30.82 ? 465 GLY A CA 1 ATOM 3004 C C . GLY A 1 384 ? -15.101 -7.819 52.849 1.00 31.17 ? 465 GLY A C 1 ATOM 3005 O O . GLY A 1 384 ? -14.441 -7.339 53.766 1.00 34.94 ? 465 GLY A O 1 ATOM 3006 N N . PHE A 1 385 ? -14.553 -8.255 51.719 1.00 27.73 ? 466 PHE A N 1 ATOM 3007 C CA . PHE A 1 385 ? -13.111 -8.168 51.496 1.00 25.93 ? 466 PHE A CA 1 ATOM 3008 C C . PHE A 1 385 ? -12.698 -6.778 51.023 1.00 28.43 ? 466 PHE A C 1 ATOM 3009 O O . PHE A 1 385 ? -11.516 -6.435 51.039 1.00 26.75 ? 466 PHE A O 1 ATOM 3010 C CB . PHE A 1 385 ? -12.659 -9.185 50.440 1.00 27.44 ? 466 PHE A CB 1 ATOM 3011 C CG . PHE A 1 385 ? -12.714 -10.618 50.891 1.00 28.35 ? 466 PHE A CG 1 ATOM 3012 C CD1 . PHE A 1 385 ? -12.775 -10.946 52.237 1.00 29.43 ? 466 PHE A CD1 1 ATOM 3013 C CD2 . PHE A 1 385 ? -12.680 -11.643 49.957 1.00 24.93 ? 466 PHE A CD2 1 ATOM 3014 C CE1 . PHE A 1 385 ? -12.821 -12.279 52.642 1.00 28.55 ? 466 PHE A CE1 1 ATOM 3015 C CE2 . PHE A 1 385 ? -12.725 -12.980 50.353 1.00 28.99 ? 466 PHE A CE2 1 ATOM 3016 C CZ . PHE A 1 385 ? -12.794 -13.294 51.698 1.00 31.55 ? 466 PHE A CZ 1 ATOM 3017 N N . MET A 1 386 ? -13.675 -5.983 50.599 1.00 29.72 ? 467 MET A N 1 ATOM 3018 C CA . MET A 1 386 ? -13.392 -4.725 49.916 1.00 27.12 ? 467 MET A CA 1 ATOM 3019 C C . MET A 1 386 ? -13.109 -3.547 50.845 1.00 30.52 ? 467 MET A C 1 ATOM 3020 O O . MET A 1 386 ? -13.685 -3.444 51.928 1.00 33.86 ? 467 MET A O 1 ATOM 3021 C CB . MET A 1 386 ? -14.548 -4.355 48.984 1.00 24.85 ? 467 MET A CB 1 ATOM 3022 C CG . MET A 1 386 ? -14.899 -5.406 47.959 1.00 23.24 ? 467 MET A CG 1 ATOM 3023 S SD . MET A 1 386 ? -13.582 -5.721 46.772 1.00 22.77 ? 467 MET A SD 1 ATOM 3024 C CE . MET A 1 386 ? -13.418 -4.112 45.992 1.00 17.39 ? 467 MET A CE 1 ATOM 3025 N N . PRO A 1 387 ? -12.216 -2.646 50.408 1.00 25.11 ? 468 PRO A N 1 ATOM 3026 C CA . PRO A 1 387 ? -12.036 -1.339 51.043 1.00 23.86 ? 468 PRO A CA 1 ATOM 3027 C C . PRO A 1 387 ? -13.343 -0.563 50.921 1.00 28.46 ? 468 PRO A C 1 ATOM 3028 O O . PRO A 1 387 ? -13.888 -0.456 49.822 1.00 27.70 ? 468 PRO A O 1 ATOM 3029 C CB . PRO A 1 387 ? -10.954 -0.676 50.181 1.00 27.34 ? 468 PRO A CB 1 ATOM 3030 C CG . PRO A 1 387 ? -10.948 -1.452 48.891 1.00 24.70 ? 468 PRO A CG 1 ATOM 3031 C CD . PRO A 1 387 ? -11.288 -2.847 49.284 1.00 24.19 ? 468 PRO A CD 1 ATOM 3032 N N . LYS A 1 388 ? -13.844 -0.032 52.030 1.00 29.31 ? 469 LYS A N 1 ATOM 3033 C CA . LYS A 1 388 ? -15.169 0.569 52.035 1.00 29.30 ? 469 LYS A CA 1 ATOM 3034 C C . LYS A 1 388 ? -15.182 2.002 51.504 1.00 26.72 ? 469 LYS A C 1 ATOM 3035 O O . LYS A 1 388 ? -14.160 2.696 51.451 1.00 29.54 ? 469 LYS A O 1 ATOM 3036 C CB . LYS A 1 388 ? -15.775 0.514 53.441 1.00 33.71 ? 469 LYS A CB 1 ATOM 3037 C CG . LYS A 1 388 ? -15.902 -0.898 54.004 1.00 31.65 ? 469 LYS A CG 1 ATOM 3038 C CD . LYS A 1 388 ? -16.632 -0.896 55.346 1.00 37.67 ? 469 LYS A CD 1 ATOM 3039 C CE . LYS A 1 388 ? -16.692 -2.289 55.953 1.00 35.59 ? 469 LYS A CE 1 ATOM 3040 N NZ . LYS A 1 388 ? -17.438 -3.258 55.101 1.00 39.17 ? 469 LYS A NZ 1 ATOM 3041 O OXT . LYS A 1 388 ? -16.235 2.499 51.109 1.00 29.89 ? 469 LYS A OXT 1 HETATM 3042 C C1 . NAG B 2 . ? -18.169 8.273 53.666 1.00 33.11 ? 501 NAG A C1 1 HETATM 3043 C C2 . NAG B 2 . ? -17.671 7.552 54.923 1.00 36.23 ? 501 NAG A C2 1 HETATM 3044 C C3 . NAG B 2 . ? -18.504 7.885 56.161 1.00 36.64 ? 501 NAG A C3 1 HETATM 3045 C C4 . NAG B 2 . ? -18.699 9.388 56.288 1.00 39.77 ? 501 NAG A C4 1 HETATM 3046 C C5 . NAG B 2 . ? -19.202 9.963 54.968 1.00 37.20 ? 501 NAG A C5 1 HETATM 3047 C C6 . NAG B 2 . ? -19.331 11.474 55.057 1.00 38.08 ? 501 NAG A C6 1 HETATM 3048 C C7 . NAG B 2 . ? -16.538 5.420 54.779 1.00 30.34 ? 501 NAG A C7 1 HETATM 3049 C C8 . NAG B 2 . ? -16.629 3.958 54.455 1.00 29.47 ? 501 NAG A C8 1 HETATM 3050 N N2 . NAG B 2 . ? -17.668 6.117 54.710 1.00 33.20 ? 501 NAG A N2 1 HETATM 3051 O O3 . NAG B 2 . ? -17.871 7.382 57.318 1.00 40.15 ? 501 NAG A O3 1 HETATM 3052 O O4 . NAG B 2 . ? -19.632 9.654 57.318 1.00 43.06 ? 501 NAG A O4 1 HETATM 3053 O O5 . NAG B 2 . ? -18.303 9.653 53.921 1.00 31.09 ? 501 NAG A O5 1 HETATM 3054 O O6 . NAG B 2 . ? -18.044 11.998 55.279 1.00 41.29 ? 501 NAG A O6 1 HETATM 3055 O O7 . NAG B 2 . ? -15.462 5.926 55.089 1.00 31.79 ? 501 NAG A O7 1 HETATM 3056 C C1 . NAG C 2 . ? -19.043 10.492 58.336 1.00 43.39 ? 502 NAG A C1 1 HETATM 3057 C C2 . NAG C 2 . ? -20.169 11.085 59.188 1.00 46.24 ? 502 NAG A C2 1 HETATM 3058 C C3 . NAG C 2 . ? -19.660 11.842 60.411 1.00 48.09 ? 502 NAG A C3 1 HETATM 3059 C C4 . NAG C 2 . ? -18.574 11.051 61.126 1.00 52.36 ? 502 NAG A C4 1 HETATM 3060 C C5 . NAG C 2 . ? -17.509 10.648 60.112 1.00 47.41 ? 502 NAG A C5 1 HETATM 3061 C C6 . NAG C 2 . ? -16.333 9.944 60.777 1.00 51.64 ? 502 NAG A C6 1 HETATM 3062 C C7 . NAG C 2 . ? -22.136 11.553 57.868 1.00 48.83 ? 502 NAG A C7 1 HETATM 3063 C C8 . NAG C 2 . ? -22.949 12.583 57.140 1.00 48.64 ? 502 NAG A C8 1 HETATM 3064 N N2 . NAG C 2 . ? -20.981 11.970 58.378 1.00 46.47 ? 502 NAG A N2 1 HETATM 3065 O O3 . NAG C 2 . ? -20.729 12.080 61.299 1.00 51.10 ? 502 NAG A O3 1 HETATM 3066 O O4 . NAG C 2 . ? -18.009 11.841 62.150 1.00 53.89 ? 502 NAG A O4 1 HETATM 3067 O O5 . NAG C 2 . ? -18.094 9.811 59.134 1.00 45.76 ? 502 NAG A O5 1 HETATM 3068 O O6 . NAG C 2 . ? -16.767 8.735 61.360 1.00 56.17 ? 502 NAG A O6 1 HETATM 3069 O O7 . NAG C 2 . ? -22.534 10.389 57.974 1.00 47.80 ? 502 NAG A O7 1 HETATM 3070 C C1 . FUC D 3 . ? -18.164 13.305 55.854 1.00 43.40 ? 503 FUC A C1 1 HETATM 3071 C C2 . FUC D 3 . ? -16.789 13.739 56.335 1.00 44.55 ? 503 FUC A C2 1 HETATM 3072 C C3 . FUC D 3 . ? -15.822 13.874 55.165 1.00 42.04 ? 503 FUC A C3 1 HETATM 3073 C C4 . FUC D 3 . ? -16.442 14.679 54.024 1.00 41.32 ? 503 FUC A C4 1 HETATM 3074 C C5 . FUC D 3 . ? -17.858 14.188 53.723 1.00 42.39 ? 503 FUC A C5 1 HETATM 3075 C C6 . FUC D 3 . ? -18.535 15.015 52.636 1.00 41.46 ? 503 FUC A C6 1 HETATM 3076 O O2 . FUC D 3 . ? -16.290 12.742 57.198 1.00 46.18 ? 503 FUC A O2 1 HETATM 3077 O O3 . FUC D 3 . ? -14.640 14.499 55.615 1.00 43.92 ? 503 FUC A O3 1 HETATM 3078 O O4 . FUC D 3 . ? -16.464 16.053 54.347 1.00 46.56 ? 503 FUC A O4 1 HETATM 3079 O O5 . FUC D 3 . ? -18.636 14.227 54.902 1.00 43.66 ? 503 FUC A O5 1 HETATM 3080 C C1 . NAG E 2 . ? -30.288 6.722 3.154 1.00 26.70 ? 504 NAG A C1 1 HETATM 3081 C C2 . NAG E 2 . ? -29.787 7.908 2.333 1.00 29.33 ? 504 NAG A C2 1 HETATM 3082 C C3 . NAG E 2 . ? -30.190 7.792 0.861 1.00 32.30 ? 504 NAG A C3 1 HETATM 3083 C C4 . NAG E 2 . ? -29.836 6.425 0.282 1.00 34.40 ? 504 NAG A C4 1 HETATM 3084 C C5 . NAG E 2 . ? -30.272 5.316 1.229 1.00 34.60 ? 504 NAG A C5 1 HETATM 3085 C C6 . NAG E 2 . ? -29.736 3.971 0.745 1.00 33.27 ? 504 NAG A C6 1 HETATM 3086 C C7 . NAG E 2 . ? -29.463 10.004 3.508 1.00 28.96 ? 504 NAG A C7 1 HETATM 3087 C C8 . NAG E 2 . ? -30.078 11.256 4.055 1.00 30.36 ? 504 NAG A C8 1 HETATM 3088 N N2 . NAG E 2 . ? -30.281 9.147 2.901 1.00 27.41 ? 504 NAG A N2 1 HETATM 3089 O O3 . NAG E 2 . ? -29.550 8.803 0.117 1.00 35.56 ? 504 NAG A O3 1 HETATM 3090 O O4 . NAG E 2 . ? -30.477 6.238 -0.965 1.00 40.91 ? 504 NAG A O4 1 HETATM 3091 O O5 . NAG E 2 . ? -29.795 5.552 2.542 1.00 32.14 ? 504 NAG A O5 1 HETATM 3092 O O6 . NAG E 2 . ? -30.124 2.953 1.643 1.00 32.79 ? 504 NAG A O6 1 HETATM 3093 O O7 . NAG E 2 . ? -28.257 9.793 3.630 1.00 28.09 ? 504 NAG A O7 1 HETATM 3094 C C1 . FUC F 3 . ? -31.413 2.446 1.264 1.00 33.97 ? 505 FUC A C1 1 HETATM 3095 C C2 . FUC F 3 . ? -31.675 1.120 1.978 1.00 32.73 ? 505 FUC A C2 1 HETATM 3096 C C3 . FUC F 3 . ? -31.806 1.353 3.478 1.00 29.00 ? 505 FUC A C3 1 HETATM 3097 C C4 . FUC F 3 . ? -32.900 2.385 3.721 1.00 29.09 ? 505 FUC A C4 1 HETATM 3098 C C5 . FUC F 3 . ? -32.609 3.654 2.926 1.00 29.82 ? 505 FUC A C5 1 HETATM 3099 C C6 . FUC F 3 . ? -33.743 4.666 3.073 1.00 29.19 ? 505 FUC A C6 1 HETATM 3100 O O2 . FUC F 3 . ? -30.612 0.225 1.733 1.00 32.72 ? 505 FUC A O2 1 HETATM 3101 O O3 . FUC F 3 . ? -32.136 0.145 4.125 1.00 29.32 ? 505 FUC A O3 1 HETATM 3102 O O4 . FUC F 3 . ? -34.139 1.847 3.309 1.00 28.25 ? 505 FUC A O4 1 HETATM 3103 O O5 . FUC F 3 . ? -32.454 3.356 1.549 1.00 30.74 ? 505 FUC A O5 1 HETATM 3104 C C1 . NAG G 2 . ? -29.529 6.386 -2.043 1.00 49.99 ? 506 NAG A C1 1 HETATM 3105 C C2 . NAG G 2 . ? -29.966 5.492 -3.197 1.00 52.81 ? 506 NAG A C2 1 HETATM 3106 C C3 . NAG G 2 . ? -29.111 5.670 -4.443 1.00 56.22 ? 506 NAG A C3 1 HETATM 3107 C C4 . NAG G 2 . ? -28.878 7.137 -4.752 1.00 55.48 ? 506 NAG A C4 1 HETATM 3108 C C5 . NAG G 2 . ? -28.435 7.898 -3.506 1.00 57.40 ? 506 NAG A C5 1 HETATM 3109 C C6 . NAG G 2 . ? -28.295 9.389 -3.797 1.00 60.29 ? 506 NAG A C6 1 HETATM 3110 C C7 . NAG G 2 . ? -31.015 3.395 -2.654 1.00 57.34 ? 506 NAG A C7 1 HETATM 3111 C C8 . NAG G 2 . ? -30.837 1.928 -2.377 1.00 56.84 ? 506 NAG A C8 1 HETATM 3112 N N2 . NAG G 2 . ? -29.905 4.111 -2.772 1.00 59.09 ? 506 NAG A N2 1 HETATM 3113 O O3 . NAG G 2 . ? -29.743 5.074 -5.555 1.00 56.42 ? 506 NAG A O3 1 HETATM 3114 O O4 . NAG G 2 . ? -27.890 7.208 -5.758 1.00 58.77 ? 506 NAG A O4 1 HETATM 3115 O O5 . NAG G 2 . ? -29.379 7.724 -2.467 1.00 55.52 ? 506 NAG A O5 1 HETATM 3116 O O6 . NAG G 2 . ? -29.566 9.946 -4.072 1.00 59.22 ? 506 NAG A O6 1 HETATM 3117 O O7 . NAG G 2 . ? -32.135 3.900 -2.761 1.00 60.14 ? 506 NAG A O7 1 HETATM 3118 CA CA . CA H 4 . ? -40.949 1.217 33.549 1.00 33.11 ? 507 CA A CA 1 HETATM 3119 CA CA . CA I 4 . ? 0.000 -0.000 42.139 0.41 36.88 ? 508 CA A CA 1 HETATM 3120 C C1 . ZMR J 5 . ? -30.462 4.753 37.621 1.00 24.56 ? 509 ZMR A C1 1 HETATM 3121 O O1A . ZMR J 5 . ? -31.760 4.338 37.399 1.00 22.87 ? 509 ZMR A O1A 1 HETATM 3122 O O1B . ZMR J 5 . ? -29.547 3.764 37.810 1.00 22.26 ? 509 ZMR A O1B 1 HETATM 3123 C C2 . ZMR J 5 . ? -30.040 5.662 36.528 1.00 24.19 ? 509 ZMR A C2 1 HETATM 3124 C C3 . ZMR J 5 . ? -28.580 6.079 36.447 1.00 16.40 ? 509 ZMR A C3 1 HETATM 3125 C C4 . ZMR J 5 . ? -28.253 7.296 35.600 1.00 17.96 ? 509 ZMR A C4 1 HETATM 3126 C C5 . ZMR J 5 . ? -29.406 8.282 35.274 1.00 19.45 ? 509 ZMR A C5 1 HETATM 3127 N N5 . ZMR J 5 . ? -29.215 9.234 34.225 1.00 17.46 ? 509 ZMR A N5 1 HETATM 3128 C C10 . ZMR J 5 . ? -28.622 10.519 34.464 1.00 18.51 ? 509 ZMR A C10 1 HETATM 3129 O O10 . ZMR J 5 . ? -28.290 10.896 35.586 1.00 17.24 ? 509 ZMR A O10 1 HETATM 3130 C C11 . ZMR J 5 . ? -28.421 11.377 33.256 1.00 16.33 ? 509 ZMR A C11 1 HETATM 3131 C C6 . ZMR J 5 . ? -30.844 7.761 35.407 1.00 18.17 ? 509 ZMR A C6 1 HETATM 3132 O O6 . ZMR J 5 . ? -31.060 6.524 36.039 1.00 18.85 ? 509 ZMR A O6 1 HETATM 3133 C C7 . ZMR J 5 . ? -31.987 8.732 35.547 1.00 20.58 ? 509 ZMR A C7 1 HETATM 3134 O O7 . ZMR J 5 . ? -31.925 9.325 36.787 1.00 20.62 ? 509 ZMR A O7 1 HETATM 3135 C C8 . ZMR J 5 . ? -33.305 8.064 35.177 1.00 21.17 ? 509 ZMR A C8 1 HETATM 3136 O O8 . ZMR J 5 . ? -33.219 7.326 33.999 1.00 21.16 ? 509 ZMR A O8 1 HETATM 3137 C C9 . ZMR J 5 . ? -34.461 9.036 35.132 1.00 22.26 ? 509 ZMR A C9 1 HETATM 3138 O O9 . ZMR J 5 . ? -34.373 9.984 34.126 1.00 22.15 ? 509 ZMR A O9 1 HETATM 3139 N NE . ZMR J 5 . ? -26.956 7.839 35.850 1.00 15.90 ? 509 ZMR A NE 1 HETATM 3140 C CZ . ZMR J 5 . ? -26.144 8.432 34.800 1.00 15.49 ? 509 ZMR A CZ 1 HETATM 3141 N NH1 . ZMR J 5 . ? -26.459 8.269 33.522 1.00 14.73 ? 509 ZMR A NH1 1 HETATM 3142 N NH2 . ZMR J 5 . ? -25.093 9.151 35.170 1.00 15.87 ? 509 ZMR A NH2 1 HETATM 3143 O O . HOH K 6 . ? -19.406 15.101 33.782 1.00 14.09 ? 601 HOH A O 1 HETATM 3144 O O . HOH K 6 . ? -23.822 -1.184 23.828 1.00 11.13 ? 602 HOH A O 1 HETATM 3145 O O . HOH K 6 . ? -14.529 -4.813 30.763 1.00 11.12 ? 603 HOH A O 1 HETATM 3146 O O . HOH K 6 . ? -27.376 -0.001 22.383 1.00 14.84 ? 604 HOH A O 1 HETATM 3147 O O . HOH K 6 . ? -10.292 13.395 21.521 1.00 13.80 ? 605 HOH A O 1 HETATM 3148 O O . HOH K 6 . ? -10.738 -9.022 33.723 1.00 10.57 ? 606 HOH A O 1 HETATM 3149 O O . HOH K 6 . ? -6.906 -3.519 42.973 1.00 15.64 ? 607 HOH A O 1 HETATM 3150 O O . HOH K 6 . ? -4.034 5.096 30.314 1.00 11.49 ? 608 HOH A O 1 HETATM 3151 O O . HOH K 6 . ? -19.034 -11.949 19.084 1.00 13.19 ? 609 HOH A O 1 HETATM 3152 O O . HOH K 6 . ? -17.670 -0.663 33.792 1.00 12.25 ? 610 HOH A O 1 HETATM 3153 O O . HOH K 6 . ? -10.422 -4.435 23.489 1.00 15.90 ? 611 HOH A O 1 HETATM 3154 O O . HOH K 6 . ? -19.919 0.370 16.956 1.00 16.88 ? 612 HOH A O 1 HETATM 3155 O O . HOH K 6 . ? -31.335 -4.402 32.804 1.00 18.46 ? 613 HOH A O 1 HETATM 3156 O O . HOH K 6 . ? -20.610 -2.714 17.889 1.00 12.95 ? 614 HOH A O 1 HETATM 3157 O O . HOH K 6 . ? -18.203 16.478 26.628 1.00 14.22 ? 615 HOH A O 1 HETATM 3158 O O . HOH K 6 . ? -22.820 5.684 29.411 1.00 14.10 ? 616 HOH A O 1 HETATM 3159 O O . HOH K 6 . ? -16.004 -2.754 34.759 1.00 19.76 ? 617 HOH A O 1 HETATM 3160 O O . HOH K 6 . ? -16.086 -8.446 40.211 1.00 16.70 ? 618 HOH A O 1 HETATM 3161 O O . HOH K 6 . ? -9.321 2.061 25.545 1.00 12.84 ? 619 HOH A O 1 HETATM 3162 O O . HOH K 6 . ? -31.800 7.114 24.745 1.00 16.34 ? 620 HOH A O 1 HETATM 3163 O O . HOH K 6 . ? -11.504 -0.136 13.341 1.00 17.42 ? 621 HOH A O 1 HETATM 3164 O O . HOH K 6 . ? -20.593 4.794 40.214 1.00 17.41 ? 622 HOH A O 1 HETATM 3165 O O . HOH K 6 . ? -40.029 0.345 30.014 1.00 21.99 ? 623 HOH A O 1 HETATM 3166 O O . HOH K 6 . ? -23.612 -9.832 40.708 1.00 19.84 ? 624 HOH A O 1 HETATM 3167 O O . HOH K 6 . ? -14.063 10.223 35.509 1.00 14.34 ? 625 HOH A O 1 HETATM 3168 O O . HOH K 6 . ? -28.913 4.146 18.426 1.00 17.01 ? 626 HOH A O 1 HETATM 3169 O O . HOH K 6 . ? 0.000 -0.000 34.778 0.25 18.89 ? 627 HOH A O 1 HETATM 3170 O O . HOH K 6 . ? -25.485 0.981 30.291 1.00 14.25 ? 628 HOH A O 1 HETATM 3171 O O . HOH K 6 . ? -33.779 0.521 27.842 1.00 17.65 ? 629 HOH A O 1 HETATM 3172 O O . HOH K 6 . ? -24.540 6.624 38.214 1.00 17.95 ? 630 HOH A O 1 HETATM 3173 O O . HOH K 6 . ? -32.783 -6.227 29.379 1.00 17.86 ? 631 HOH A O 1 HETATM 3174 O O . HOH K 6 . ? -14.523 14.481 34.147 1.00 13.32 ? 632 HOH A O 1 HETATM 3175 O O . HOH K 6 . ? -32.624 9.159 26.334 1.00 18.83 ? 633 HOH A O 1 HETATM 3176 O O . HOH K 6 . ? -12.195 11.469 22.253 1.00 16.26 ? 634 HOH A O 1 HETATM 3177 O O . HOH K 6 . ? 0.000 -0.000 32.085 0.25 11.49 ? 635 HOH A O 1 HETATM 3178 O O . HOH K 6 . ? -12.176 7.120 15.328 1.00 15.84 ? 636 HOH A O 1 HETATM 3179 O O . HOH K 6 . ? -21.246 10.780 12.909 1.00 16.89 ? 637 HOH A O 1 HETATM 3180 O O . HOH K 6 . ? -20.777 9.219 10.565 1.00 17.01 ? 638 HOH A O 1 HETATM 3181 O O . HOH K 6 . ? -41.079 -0.326 35.694 1.00 27.43 ? 639 HOH A O 1 HETATM 3182 O O . HOH K 6 . ? -30.115 20.019 30.847 1.00 19.55 ? 640 HOH A O 1 HETATM 3183 O O . HOH K 6 . ? -15.817 -5.972 15.163 1.00 23.36 ? 641 HOH A O 1 HETATM 3184 O O . HOH K 6 . ? -17.724 -9.114 36.023 1.00 14.78 ? 642 HOH A O 1 HETATM 3185 O O . HOH K 6 . ? -14.205 9.991 18.300 1.00 13.12 ? 643 HOH A O 1 HETATM 3186 O O . HOH K 6 . ? -4.890 2.024 38.340 1.00 18.62 ? 644 HOH A O 1 HETATM 3187 O O . HOH K 6 . ? -11.812 11.357 34.053 1.00 14.13 ? 645 HOH A O 1 HETATM 3188 O O . HOH K 6 . ? -32.447 -3.714 22.260 1.00 19.65 ? 646 HOH A O 1 HETATM 3189 O O . HOH K 6 . ? -13.551 4.717 20.827 1.00 13.98 ? 647 HOH A O 1 HETATM 3190 O O . HOH K 6 . ? -12.873 7.351 20.232 1.00 19.65 ? 648 HOH A O 1 HETATM 3191 O O . HOH K 6 . ? -21.217 18.242 35.112 1.00 20.62 ? 649 HOH A O 1 HETATM 3192 O O . HOH K 6 . ? -45.480 6.504 19.584 1.00 26.25 ? 650 HOH A O 1 HETATM 3193 O O . HOH K 6 . ? -24.996 -19.590 28.038 1.00 18.48 ? 651 HOH A O 1 HETATM 3194 O O . HOH K 6 . ? -33.815 -5.289 31.928 1.00 19.96 ? 652 HOH A O 1 HETATM 3195 O O . HOH K 6 . ? -9.494 -7.637 26.224 1.00 14.65 ? 653 HOH A O 1 HETATM 3196 O O . HOH K 6 . ? -22.282 3.616 8.854 1.00 18.03 ? 654 HOH A O 1 HETATM 3197 O O . HOH K 6 . ? -25.183 18.141 36.815 1.00 23.26 ? 655 HOH A O 1 HETATM 3198 O O . HOH K 6 . ? -35.953 -6.000 28.293 1.00 18.87 ? 656 HOH A O 1 HETATM 3199 O O . HOH K 6 . ? -31.502 8.577 28.904 1.00 17.85 ? 657 HOH A O 1 HETATM 3200 O O . HOH K 6 . ? -28.028 -4.128 41.250 1.00 25.20 ? 658 HOH A O 1 HETATM 3201 O O . HOH K 6 . ? -41.323 -5.248 27.964 1.00 21.41 ? 659 HOH A O 1 HETATM 3202 O O . HOH K 6 . ? -17.615 11.805 40.518 1.00 16.36 ? 660 HOH A O 1 HETATM 3203 O O . HOH K 6 . ? -12.517 -7.881 20.510 1.00 17.13 ? 661 HOH A O 1 HETATM 3204 O O . HOH K 6 . ? -23.241 5.689 40.510 1.00 18.20 ? 662 HOH A O 1 HETATM 3205 O O . HOH K 6 . ? -47.035 -5.494 26.544 1.00 26.93 ? 663 HOH A O 1 HETATM 3206 O O . HOH K 6 . ? -30.239 11.772 7.649 1.00 23.78 ? 664 HOH A O 1 HETATM 3207 O O . HOH K 6 . ? -11.126 9.161 21.589 1.00 20.31 ? 665 HOH A O 1 HETATM 3208 O O . HOH K 6 . ? -35.760 -5.847 33.633 1.00 21.18 ? 666 HOH A O 1 HETATM 3209 O O . HOH K 6 . ? -27.159 -20.339 29.731 1.00 21.89 ? 667 HOH A O 1 HETATM 3210 O O . HOH K 6 . ? -45.805 -2.991 19.093 1.00 27.91 ? 668 HOH A O 1 HETATM 3211 O O . HOH K 6 . ? -15.506 -1.232 37.011 1.00 18.16 ? 669 HOH A O 1 HETATM 3212 O O . HOH K 6 . ? -26.029 4.545 41.036 1.00 23.40 ? 670 HOH A O 1 HETATM 3213 O O . HOH K 6 . ? -31.993 0.447 6.900 1.00 23.86 ? 671 HOH A O 1 HETATM 3214 O O . HOH K 6 . ? -2.807 3.841 28.072 1.00 19.57 ? 672 HOH A O 1 HETATM 3215 O O . HOH K 6 . ? -35.186 14.840 34.532 1.00 23.55 ? 673 HOH A O 1 HETATM 3216 O O . HOH K 6 . ? -31.801 8.445 31.628 1.00 19.70 ? 674 HOH A O 1 HETATM 3217 O O . HOH K 6 . ? -21.969 5.557 46.887 1.00 27.33 ? 675 HOH A O 1 HETATM 3218 O O . HOH K 6 . ? -24.298 0.187 13.534 1.00 19.93 ? 676 HOH A O 1 HETATM 3219 O O . HOH K 6 . ? -18.527 -5.301 14.252 1.00 18.57 ? 677 HOH A O 1 HETATM 3220 O O . HOH K 6 . ? -22.609 17.570 37.468 1.00 27.01 ? 678 HOH A O 1 HETATM 3221 O O . HOH K 6 . ? -25.309 -0.442 49.902 1.00 32.72 ? 679 HOH A O 1 HETATM 3222 O O . HOH K 6 . ? -26.979 7.189 5.459 1.00 25.39 ? 680 HOH A O 1 HETATM 3223 O O . HOH K 6 . ? -9.322 8.224 43.925 1.00 21.98 ? 681 HOH A O 1 HETATM 3224 O O . HOH K 6 . ? -26.869 13.489 4.854 1.00 27.09 ? 682 HOH A O 1 HETATM 3225 O O . HOH K 6 . ? -14.075 5.291 50.702 1.00 30.12 ? 683 HOH A O 1 HETATM 3226 O O . HOH K 6 . ? -43.591 -6.400 26.679 1.00 27.53 ? 684 HOH A O 1 HETATM 3227 O O . HOH K 6 . ? -26.676 2.251 42.408 1.00 25.01 ? 685 HOH A O 1 HETATM 3228 O O . HOH K 6 . ? -28.714 -1.655 42.368 1.00 26.99 ? 686 HOH A O 1 HETATM 3229 O O . HOH K 6 . ? -14.817 -0.367 39.519 1.00 20.23 ? 687 HOH A O 1 HETATM 3230 O O . HOH K 6 . ? -42.466 -10.693 35.393 1.00 28.86 ? 688 HOH A O 1 HETATM 3231 O O . HOH K 6 . ? -9.426 -1.002 17.355 1.00 24.22 ? 689 HOH A O 1 HETATM 3232 O O . HOH K 6 . ? -6.638 2.216 23.728 1.00 22.39 ? 690 HOH A O 1 HETATM 3233 O O . HOH K 6 . ? -29.032 0.838 41.228 1.00 23.92 ? 691 HOH A O 1 HETATM 3234 O O . HOH K 6 . ? -25.113 23.508 21.515 1.00 19.42 ? 692 HOH A O 1 HETATM 3235 O O . HOH K 6 . ? -45.706 11.953 27.262 1.00 34.93 ? 693 HOH A O 1 HETATM 3236 O O . HOH K 6 . ? -30.225 -21.225 32.190 1.00 27.31 ? 694 HOH A O 1 HETATM 3237 O O . HOH K 6 . ? -30.977 20.482 18.693 1.00 27.95 ? 695 HOH A O 1 HETATM 3238 O O . HOH K 6 . ? -2.910 1.041 36.413 1.00 19.91 ? 696 HOH A O 1 HETATM 3239 O O . HOH K 6 . ? -27.406 26.633 35.433 1.00 33.27 ? 697 HOH A O 1 HETATM 3240 O O . HOH K 6 . ? -20.745 -10.125 48.797 1.00 28.17 ? 698 HOH A O 1 HETATM 3241 O O . HOH K 6 . ? -22.754 0.510 16.450 1.00 24.11 ? 699 HOH A O 1 HETATM 3242 O O . HOH K 6 . ? -28.143 8.373 42.534 1.00 29.18 ? 700 HOH A O 1 HETATM 3243 O O . HOH K 6 . ? -15.258 9.694 7.909 1.00 25.53 ? 701 HOH A O 1 HETATM 3244 O O . HOH K 6 . ? -34.868 -7.438 14.749 1.00 29.06 ? 702 HOH A O 1 HETATM 3245 O O . HOH K 6 . ? -2.230 -3.789 43.526 1.00 23.90 ? 703 HOH A O 1 HETATM 3246 O O . HOH K 6 . ? -31.129 3.108 6.665 1.00 24.69 ? 704 HOH A O 1 HETATM 3247 O O . HOH K 6 . ? -23.129 11.148 47.177 1.00 34.50 ? 705 HOH A O 1 HETATM 3248 O O . HOH K 6 . ? -45.933 3.164 14.501 1.00 37.31 ? 706 HOH A O 1 HETATM 3249 O O . HOH K 6 . ? -35.095 -0.717 38.598 1.00 25.73 ? 707 HOH A O 1 HETATM 3250 O O . HOH K 6 . ? -33.448 22.013 20.468 1.00 34.50 ? 708 HOH A O 1 HETATM 3251 O O . HOH K 6 . ? -2.392 -0.225 44.544 1.00 33.41 ? 709 HOH A O 1 HETATM 3252 O O . HOH K 6 . ? -22.080 23.686 27.625 1.00 18.95 ? 710 HOH A O 1 HETATM 3253 O O . HOH K 6 . ? -29.129 22.872 37.418 1.00 31.30 ? 711 HOH A O 1 HETATM 3254 O O . HOH K 6 . ? -21.821 -11.767 43.103 1.00 25.63 ? 712 HOH A O 1 HETATM 3255 O O . HOH K 6 . ? -34.505 -16.221 17.807 1.00 32.20 ? 713 HOH A O 1 HETATM 3256 O O . HOH K 6 . ? -30.711 -2.234 45.292 1.00 36.53 ? 714 HOH A O 1 HETATM 3257 O O . HOH K 6 . ? -49.406 -10.051 36.734 1.00 41.09 ? 715 HOH A O 1 HETATM 3258 O O . HOH K 6 . ? -26.583 13.768 40.530 1.00 23.93 ? 716 HOH A O 1 HETATM 3259 O O . HOH K 6 . ? -44.549 -7.241 41.021 1.00 45.48 ? 717 HOH A O 1 HETATM 3260 O O . HOH K 6 . ? -50.698 -13.902 23.766 1.00 37.74 ? 718 HOH A O 1 HETATM 3261 O O . HOH K 6 . ? -22.006 1.515 3.280 1.00 31.57 ? 719 HOH A O 1 HETATM 3262 O O . HOH K 6 . ? -29.114 7.712 32.057 1.00 20.26 ? 720 HOH A O 1 HETATM 3263 O O . HOH K 6 . ? -29.098 3.557 4.511 1.00 25.15 ? 721 HOH A O 1 HETATM 3264 O O . HOH K 6 . ? -27.550 -20.479 32.221 1.00 22.77 ? 722 HOH A O 1 HETATM 3265 O O . HOH K 6 . ? -24.441 -0.317 1.895 1.00 33.03 ? 723 HOH A O 1 HETATM 3266 O O . HOH K 6 . ? -41.520 -15.480 13.720 1.00 43.11 ? 724 HOH A O 1 HETATM 3267 O O . HOH K 6 . ? -31.089 -3.232 47.969 1.00 31.80 ? 725 HOH A O 1 HETATM 3268 O O . HOH K 6 . ? -20.829 -20.514 35.567 1.00 27.99 ? 726 HOH A O 1 HETATM 3269 O O . HOH K 6 . ? -12.700 14.042 12.622 1.00 25.72 ? 727 HOH A O 1 HETATM 3270 O O . HOH K 6 . ? -44.891 -9.769 33.160 1.00 30.28 ? 728 HOH A O 1 HETATM 3271 O O . HOH K 6 . ? -27.757 11.211 42.130 1.00 28.55 ? 729 HOH A O 1 HETATM 3272 O O . HOH K 6 . ? -50.820 -7.713 34.861 1.00 41.38 ? 730 HOH A O 1 HETATM 3273 O O . HOH K 6 . ? -20.675 -2.457 15.230 1.00 25.95 ? 731 HOH A O 1 HETATM 3274 O O . HOH K 6 . ? -26.747 -1.661 1.117 1.00 42.99 ? 732 HOH A O 1 HETATM 3275 O O . HOH K 6 . ? -36.404 -9.878 44.430 1.00 38.11 ? 733 HOH A O 1 HETATM 3276 O O . HOH K 6 . ? -34.657 -17.289 36.042 1.00 32.43 ? 734 HOH A O 1 HETATM 3277 O O . HOH K 6 . ? -29.957 11.456 40.242 1.00 35.13 ? 735 HOH A O 1 HETATM 3278 O O . HOH K 6 . ? -20.391 -12.504 45.107 1.00 29.14 ? 736 HOH A O 1 HETATM 3279 O O . HOH K 6 . ? -40.096 15.760 21.946 1.00 35.49 ? 737 HOH A O 1 HETATM 3280 O O . HOH K 6 . ? -20.749 10.515 41.928 1.00 25.60 ? 738 HOH A O 1 HETATM 3281 O O . HOH K 6 . ? -23.224 -15.564 14.221 1.00 28.37 ? 739 HOH A O 1 HETATM 3282 O O . HOH K 6 . ? -16.076 -4.393 53.075 1.00 37.75 ? 740 HOH A O 1 HETATM 3283 O O . HOH K 6 . ? -6.844 0.834 25.891 1.00 24.39 ? 741 HOH A O 1 HETATM 3284 O O . HOH K 6 . ? -16.353 11.381 52.593 1.00 32.44 ? 742 HOH A O 1 HETATM 3285 O O . HOH K 6 . ? -19.118 5.905 59.057 1.00 53.52 ? 743 HOH A O 1 HETATM 3286 O O . HOH K 6 . ? -23.164 -15.387 44.912 1.00 52.03 ? 744 HOH A O 1 HETATM 3287 O O . HOH K 6 . ? -35.731 6.867 0.651 1.00 40.43 ? 745 HOH A O 1 HETATM 3288 O O . HOH K 6 . ? -14.460 6.928 52.803 1.00 34.71 ? 746 HOH A O 1 HETATM 3289 O O . HOH K 6 . ? -29.276 22.234 19.953 1.00 30.30 ? 747 HOH A O 1 HETATM 3290 O O . HOH K 6 . ? -33.519 -15.633 15.469 1.00 37.80 ? 748 HOH A O 1 HETATM 3291 O O . HOH K 6 . ? -45.294 5.692 15.190 1.00 36.22 ? 749 HOH A O 1 HETATM 3292 O O . HOH K 6 . ? -3.344 -0.151 47.351 1.00 28.48 ? 750 HOH A O 1 HETATM 3293 O O . HOH K 6 . ? -25.242 -7.361 48.994 1.00 35.98 ? 751 HOH A O 1 HETATM 3294 O O . HOH K 6 . ? -21.327 15.647 7.682 1.00 28.18 ? 752 HOH A O 1 HETATM 3295 O O . HOH K 6 . ? -7.811 -3.792 23.036 1.00 25.89 ? 753 HOH A O 1 HETATM 3296 O O . HOH K 6 . ? -15.826 -0.845 7.679 1.00 30.18 ? 754 HOH A O 1 HETATM 3297 O O . HOH K 6 . ? -27.091 -25.394 15.420 1.00 51.57 ? 755 HOH A O 1 HETATM 3298 O O . HOH K 6 . ? -31.218 1.589 42.557 1.00 35.46 ? 756 HOH A O 1 HETATM 3299 O O . HOH K 6 . ? -24.507 -18.853 14.826 1.00 27.56 ? 757 HOH A O 1 HETATM 3300 O O . HOH K 6 . ? -17.526 12.244 64.650 1.00 54.53 ? 758 HOH A O 1 HETATM 3301 O O . HOH K 6 . ? -12.276 -0.304 54.385 1.00 42.01 ? 759 HOH A O 1 HETATM 3302 O O . HOH K 6 . ? -25.696 -14.942 15.738 1.00 25.80 ? 760 HOH A O 1 HETATM 3303 O O . HOH K 6 . ? -36.789 -19.362 35.885 1.00 45.85 ? 761 HOH A O 1 HETATM 3304 O O . HOH K 6 . ? -30.631 25.284 28.012 1.00 34.30 ? 762 HOH A O 1 HETATM 3305 O O . HOH K 6 . ? -6.959 9.090 23.687 1.00 31.91 ? 763 HOH A O 1 HETATM 3306 O O . HOH K 6 . ? -15.896 11.190 48.336 1.00 29.10 ? 764 HOH A O 1 HETATM 3307 O O . HOH K 6 . ? -18.212 17.631 55.960 1.00 56.97 ? 765 HOH A O 1 HETATM 3308 O O . HOH K 6 . ? -27.836 0.650 1.632 1.00 31.70 ? 766 HOH A O 1 HETATM 3309 O O . HOH K 6 . ? -26.536 -26.920 18.980 1.00 33.30 ? 767 HOH A O 1 HETATM 3310 O O . HOH K 6 . ? -27.685 11.551 6.756 1.00 23.95 ? 768 HOH A O 1 HETATM 3311 O O . HOH K 6 . ? -34.637 -19.230 17.885 1.00 35.63 ? 769 HOH A O 1 HETATM 3312 O O . HOH K 6 . ? -45.486 6.297 30.597 1.00 30.99 ? 770 HOH A O 1 HETATM 3313 O O . HOH K 6 . ? -36.937 -7.704 12.060 1.00 38.19 ? 771 HOH A O 1 HETATM 3314 O O . HOH K 6 . ? -31.609 13.657 6.043 1.00 28.66 ? 772 HOH A O 1 HETATM 3315 O O . HOH K 6 . ? -43.808 -5.341 19.706 1.00 27.45 ? 773 HOH A O 1 HETATM 3316 O O . HOH K 6 . ? -8.858 1.428 53.081 1.00 49.54 ? 774 HOH A O 1 HETATM 3317 O O . HOH K 6 . ? -26.956 21.820 17.193 1.00 44.66 ? 775 HOH A O 1 HETATM 3318 O O . HOH K 6 . ? -14.134 9.601 52.475 1.00 38.59 ? 776 HOH A O 1 HETATM 3319 O O . HOH K 6 . ? -39.296 19.188 21.508 1.00 34.74 ? 777 HOH A O 1 HETATM 3320 O O . HOH K 6 . ? -41.128 10.297 8.356 1.00 32.08 ? 778 HOH A O 1 HETATM 3321 O O . HOH K 6 . ? -23.792 -16.019 11.224 1.00 42.24 ? 779 HOH A O 1 HETATM 3322 O O . HOH K 6 . ? -41.581 13.323 21.915 1.00 38.40 ? 780 HOH A O 1 HETATM 3323 O O . HOH K 6 . ? -35.806 -22.703 28.948 1.00 40.06 ? 781 HOH A O 1 HETATM 3324 O O . HOH K 6 . ? -50.625 6.071 29.975 1.00 35.39 ? 782 HOH A O 1 HETATM 3325 O O . HOH K 6 . ? -32.365 -13.458 13.660 1.00 30.57 ? 783 HOH A O 1 HETATM 3326 O O . HOH K 6 . ? -33.560 -21.017 33.233 1.00 40.97 ? 784 HOH A O 1 HETATM 3327 O O . HOH K 6 . ? -29.362 14.726 4.508 1.00 31.40 ? 785 HOH A O 1 HETATM 3328 O O . HOH K 6 . ? -10.059 -0.463 42.998 1.00 27.38 ? 786 HOH A O 1 HETATM 3329 O O . HOH K 6 . ? -37.609 -16.568 15.547 1.00 35.69 ? 787 HOH A O 1 HETATM 3330 O O . HOH K 6 . ? -43.517 -21.811 21.794 1.00 53.58 ? 788 HOH A O 1 HETATM 3331 O O . HOH K 6 . ? -34.840 -1.358 3.584 1.00 38.10 ? 789 HOH A O 1 HETATM 3332 O O . HOH K 6 . ? -15.255 -15.514 49.998 1.00 33.32 ? 790 HOH A O 1 HETATM 3333 O O . HOH K 6 . ? -32.343 18.410 38.441 1.00 35.19 ? 791 HOH A O 1 HETATM 3334 O O . HOH K 6 . ? -32.137 13.594 39.305 1.00 30.48 ? 792 HOH A O 1 HETATM 3335 O O . HOH K 6 . ? -32.607 -20.190 14.036 1.00 43.83 ? 793 HOH A O 1 HETATM 3336 O O . HOH K 6 . ? -42.381 8.890 12.419 1.00 36.56 ? 794 HOH A O 1 HETATM 3337 O O . HOH K 6 . ? -18.513 3.579 2.340 1.00 34.93 ? 795 HOH A O 1 HETATM 3338 O O . HOH K 6 . ? -33.641 12.468 34.582 1.00 30.70 ? 796 HOH A O 1 HETATM 3339 O O . HOH K 6 . ? -33.119 -5.250 47.822 1.00 42.38 ? 797 HOH A O 1 HETATM 3340 O O . HOH K 6 . ? -25.052 -0.893 10.574 1.00 27.02 ? 798 HOH A O 1 HETATM 3341 O O . HOH K 6 . ? -41.806 -8.387 10.819 1.00 41.60 ? 799 HOH A O 1 HETATM 3342 O O . HOH K 6 . ? -20.495 16.810 42.615 1.00 45.35 ? 800 HOH A O 1 HETATM 3343 O O . HOH K 6 . ? -46.138 -16.333 37.044 1.00 41.89 ? 801 HOH A O 1 HETATM 3344 O O . HOH K 6 . ? -8.917 7.043 22.531 1.00 49.35 ? 802 HOH A O 1 HETATM 3345 O O . HOH K 6 . ? -36.240 23.020 20.570 1.00 39.14 ? 803 HOH A O 1 HETATM 3346 O O . HOH K 6 . ? -8.865 -6.464 51.431 1.00 46.85 ? 804 HOH A O 1 HETATM 3347 O O . HOH K 6 . ? -51.878 -1.495 23.686 1.00 36.23 ? 805 HOH A O 1 HETATM 3348 O O . HOH K 6 . ? -38.893 20.798 18.099 1.00 34.08 ? 806 HOH A O 1 HETATM 3349 O O . HOH K 6 . ? -27.035 20.991 38.254 1.00 38.58 ? 807 HOH A O 1 HETATM 3350 O O . HOH K 6 . ? -31.922 20.603 39.823 1.00 51.36 ? 808 HOH A O 1 HETATM 3351 O O . HOH K 6 . ? -16.544 11.927 44.435 1.00 30.98 ? 809 HOH A O 1 HETATM 3352 O O . HOH K 6 . ? -22.681 17.330 41.054 1.00 42.10 ? 810 HOH A O 1 HETATM 3353 O O . HOH K 6 . ? -38.364 -16.137 35.051 1.00 35.96 ? 811 HOH A O 1 HETATM 3354 O O . HOH K 6 . ? -29.683 -13.249 8.776 1.00 38.20 ? 812 HOH A O 1 HETATM 3355 O O . HOH K 6 . ? -22.493 -23.016 30.115 1.00 28.03 ? 813 HOH A O 1 HETATM 3356 O O . HOH K 6 . ? -38.944 -13.738 39.692 1.00 43.47 ? 814 HOH A O 1 HETATM 3357 O O . HOH K 6 . ? -42.162 17.420 15.811 1.00 46.19 ? 815 HOH A O 1 HETATM 3358 O O . HOH K 6 . ? -27.397 7.287 -8.255 1.00 58.98 ? 816 HOH A O 1 HETATM 3359 O O . HOH K 6 . ? -52.583 -14.728 25.529 1.00 53.00 ? 817 HOH A O 1 HETATM 3360 O O . HOH K 6 . ? -52.265 -4.150 18.396 1.00 38.90 ? 818 HOH A O 1 HETATM 3361 O O . HOH K 6 . ? -39.452 7.209 37.454 1.00 36.35 ? 819 HOH A O 1 HETATM 3362 O O . HOH K 6 . ? -16.419 -8.433 12.496 1.00 41.91 ? 820 HOH A O 1 HETATM 3363 O O . HOH K 6 . ? -20.494 -1.919 4.494 1.00 34.30 ? 821 HOH A O 1 HETATM 3364 O O . HOH K 6 . ? -19.531 11.909 44.221 1.00 35.94 ? 822 HOH A O 1 HETATM 3365 O O . HOH K 6 . ? -23.812 -9.622 43.552 1.00 27.24 ? 823 HOH A O 1 HETATM 3366 O O . HOH K 6 . ? -28.167 6.040 40.201 1.00 29.23 ? 824 HOH A O 1 HETATM 3367 O O . HOH K 6 . ? -44.029 17.592 31.845 1.00 38.11 ? 825 HOH A O 1 HETATM 3368 O O . HOH K 6 . ? -17.102 19.028 44.233 1.00 41.90 ? 826 HOH A O 1 HETATM 3369 O O . HOH K 6 . ? -2.819 -2.966 50.354 1.00 47.20 ? 827 HOH A O 1 HETATM 3370 O O . HOH K 6 . ? -31.383 23.019 21.618 1.00 31.31 ? 828 HOH A O 1 HETATM 3371 O O . HOH K 6 . ? -44.122 5.844 37.397 1.00 52.23 ? 829 HOH A O 1 HETATM 3372 O O . HOH K 6 . ? -23.135 17.618 6.909 1.00 44.26 ? 830 HOH A O 1 HETATM 3373 O O . HOH K 6 . ? -15.725 9.577 4.984 1.00 32.58 ? 831 HOH A O 1 HETATM 3374 O O . HOH K 6 . ? -11.407 5.244 52.699 1.00 40.33 ? 832 HOH A O 1 HETATM 3375 O O . HOH K 6 . ? -10.802 4.308 12.990 1.00 37.64 ? 833 HOH A O 1 HETATM 3376 O O . HOH K 6 . ? -16.922 12.683 50.376 1.00 40.00 ? 834 HOH A O 1 HETATM 3377 O O . HOH K 6 . ? -16.134 15.709 10.328 1.00 36.65 ? 835 HOH A O 1 HETATM 3378 O O . HOH K 6 . ? -35.828 23.490 33.851 1.00 42.94 ? 836 HOH A O 1 HETATM 3379 O O . HOH K 6 . ? -32.545 11.903 37.252 1.00 45.51 ? 837 HOH A O 1 HETATM 3380 O O . HOH K 6 . ? -38.771 19.890 34.145 1.00 29.92 ? 838 HOH A O 1 HETATM 3381 O O . HOH K 6 . ? -39.198 -17.251 32.808 1.00 42.79 ? 839 HOH A O 1 HETATM 3382 O O . HOH K 6 . ? -39.966 10.586 6.109 1.00 39.98 ? 840 HOH A O 1 HETATM 3383 O O . HOH K 6 . ? -7.554 7.809 56.915 1.00 56.94 ? 841 HOH A O 1 HETATM 3384 O O . HOH K 6 . ? -10.085 14.549 13.218 1.00 34.61 ? 842 HOH A O 1 HETATM 3385 O O . HOH K 6 . ? -11.421 2.578 52.099 1.00 39.19 ? 843 HOH A O 1 HETATM 3386 O O . HOH K 6 . ? -45.278 10.113 12.408 1.00 53.85 ? 844 HOH A O 1 HETATM 3387 O O . HOH K 6 . ? -38.666 20.473 31.570 1.00 49.55 ? 845 HOH A O 1 HETATM 3388 O O . HOH K 6 . ? -43.479 -17.102 14.114 1.00 47.94 ? 846 HOH A O 1 HETATM 3389 O O . HOH K 6 . ? -43.310 -9.208 12.728 1.00 44.11 ? 847 HOH A O 1 HETATM 3390 O O . HOH K 6 . ? -32.704 -11.778 10.298 1.00 50.01 ? 848 HOH A O 1 HETATM 3391 O O . HOH K 6 . ? -47.443 -4.211 42.360 1.00 61.34 ? 849 HOH A O 1 HETATM 3392 O O . HOH K 6 . ? -46.907 12.797 18.408 1.00 37.56 ? 850 HOH A O 1 HETATM 3393 O O . HOH K 6 . ? -35.748 1.586 5.625 1.00 30.44 ? 851 HOH A O 1 HETATM 3394 O O . HOH K 6 . ? -42.504 -23.247 23.839 1.00 47.05 ? 852 HOH A O 1 HETATM 3395 O O . HOH K 6 . ? -29.469 8.977 -6.897 1.00 64.39 ? 853 HOH A O 1 HETATM 3396 O O . HOH K 6 . ? -20.611 13.783 4.864 1.00 52.21 ? 854 HOH A O 1 HETATM 3397 O O . HOH K 6 . ? -23.364 10.458 49.838 1.00 39.09 ? 855 HOH A O 1 HETATM 3398 O O . HOH K 6 . ? -10.403 -6.626 21.554 1.00 31.88 ? 856 HOH A O 1 HETATM 3399 O O . HOH K 6 . ? -45.735 3.614 11.707 1.00 51.97 ? 857 HOH A O 1 HETATM 3400 O O . HOH K 6 . ? -26.169 -3.842 2.343 1.00 35.82 ? 858 HOH A O 1 HETATM 3401 O O . HOH K 6 . ? -45.804 -22.300 20.526 1.00 44.00 ? 859 HOH A O 1 HETATM 3402 O O . HOH K 6 . ? -32.012 -22.855 21.923 1.00 44.64 ? 860 HOH A O 1 HETATM 3403 O O . HOH K 6 . ? -52.096 -0.713 28.224 1.00 38.11 ? 861 HOH A O 1 HETATM 3404 O O . HOH K 6 . ? -43.315 -18.003 16.576 1.00 49.40 ? 862 HOH A O 1 HETATM 3405 O O . HOH K 6 . ? -39.563 -11.596 41.746 1.00 43.65 ? 863 HOH A O 1 HETATM 3406 O O . HOH K 6 . ? -24.624 -10.407 46.543 1.00 38.62 ? 864 HOH A O 1 HETATM 3407 O O . HOH K 6 . ? -40.116 16.146 14.501 1.00 36.09 ? 865 HOH A O 1 HETATM 3408 O O . HOH K 6 . ? 0.000 -0.000 39.144 0.25 34.11 ? 866 HOH A O 1 HETATM 3409 O O . HOH K 6 . ? -17.358 6.188 1.877 1.00 47.83 ? 867 HOH A O 1 HETATM 3410 O O . HOH K 6 . ? -8.935 -0.714 14.441 1.00 36.30 ? 868 HOH A O 1 HETATM 3411 O O . HOH K 6 . ? -2.637 1.096 40.092 1.00 34.11 ? 869 HOH A O 1 HETATM 3412 O O . HOH K 6 . ? -17.408 -14.356 46.231 1.00 42.98 ? 870 HOH A O 1 HETATM 3413 O O . HOH K 6 . ? -26.981 -9.632 4.221 1.00 35.44 ? 871 HOH A O 1 HETATM 3414 O O . HOH K 6 . ? -10.621 0.399 10.666 1.00 29.21 ? 872 HOH A O 1 HETATM 3415 O O . HOH K 6 . ? -34.055 18.951 12.035 1.00 32.44 ? 873 HOH A O 1 HETATM 3416 O O . HOH K 6 . ? -28.742 -19.592 38.566 1.00 37.16 ? 874 HOH A O 1 HETATM 3417 O O . HOH K 6 . ? -18.584 -3.420 12.274 1.00 30.25 ? 875 HOH A O 1 HETATM 3418 O O . HOH K 6 . ? -20.446 -12.733 48.455 1.00 41.20 ? 876 HOH A O 1 HETATM 3419 O O . HOH K 6 . ? -21.304 -3.443 6.987 1.00 32.96 ? 877 HOH A O 1 HETATM 3420 O O . HOH K 6 . ? -41.110 10.966 13.557 1.00 34.59 ? 878 HOH A O 1 HETATM 3421 O O . HOH K 6 . ? -33.519 21.225 42.109 1.00 42.10 ? 879 HOH A O 1 HETATM 3422 O O . HOH K 6 . ? -17.348 -1.578 10.607 1.00 32.01 ? 880 HOH A O 1 HETATM 3423 O O . HOH K 6 . ? -42.752 -6.120 42.241 1.00 53.01 ? 881 HOH A O 1 HETATM 3424 O O . HOH K 6 . ? -16.031 13.525 66.358 1.00 58.58 ? 882 HOH A O 1 HETATM 3425 O O . HOH K 6 . ? -40.298 -19.086 17.374 1.00 44.53 ? 883 HOH A O 1 HETATM 3426 O O . HOH K 6 . ? -37.626 17.430 37.055 1.00 41.15 ? 884 HOH A O 1 HETATM 3427 O O . HOH K 6 . ? -22.508 -20.487 14.822 1.00 33.96 ? 885 HOH A O 1 HETATM 3428 O O . HOH K 6 . ? -5.672 -1.117 24.528 1.00 33.42 ? 886 HOH A O 1 HETATM 3429 O O . HOH K 6 . ? -10.494 2.048 14.357 1.00 41.06 ? 887 HOH A O 1 HETATM 3430 O O . HOH K 6 . ? -25.823 7.083 2.456 1.00 33.42 ? 888 HOH A O 1 HETATM 3431 O O . HOH K 6 . ? -25.580 10.112 51.676 1.00 53.04 ? 889 HOH A O 1 HETATM 3432 O O . HOH K 6 . ? -11.268 7.372 8.301 1.00 44.77 ? 890 HOH A O 1 HETATM 3433 O O . HOH K 6 . ? -32.196 -17.039 40.403 1.00 34.68 ? 891 HOH A O 1 HETATM 3434 O O . HOH K 6 . ? -29.369 -10.374 47.165 1.00 47.93 ? 892 HOH A O 1 HETATM 3435 O O . HOH K 6 . ? -33.422 16.290 39.955 1.00 44.98 ? 893 HOH A O 1 HETATM 3436 O O . HOH K 6 . ? -22.796 6.838 2.099 1.00 33.72 ? 894 HOH A O 1 HETATM 3437 O O . HOH K 6 . ? -33.130 -14.231 11.214 1.00 47.36 ? 895 HOH A O 1 HETATM 3438 O O . HOH K 6 . ? -32.759 -3.395 43.818 1.00 38.40 ? 896 HOH A O 1 HETATM 3439 O O . HOH K 6 . ? -30.801 27.141 32.330 1.00 38.54 ? 897 HOH A O 1 HETATM 3440 O O . HOH K 6 . ? -9.468 9.696 23.451 1.00 34.73 ? 898 HOH A O 1 HETATM 3441 O O . HOH K 6 . ? -25.674 21.950 14.947 1.00 37.26 ? 899 HOH A O 1 HETATM 3442 O O . HOH K 6 . ? -47.335 -19.996 20.436 1.00 48.09 ? 900 HOH A O 1 HETATM 3443 O O . HOH K 6 . ? -12.885 9.199 7.505 1.00 38.42 ? 901 HOH A O 1 HETATM 3444 O O . HOH K 6 . ? -27.518 -18.000 36.687 1.00 29.05 ? 902 HOH A O 1 HETATM 3445 O O . HOH K 6 . ? -40.880 19.041 35.819 1.00 41.17 ? 903 HOH A O 1 HETATM 3446 O O . HOH K 6 . ? -14.844 14.349 8.889 1.00 48.00 ? 904 HOH A O 1 HETATM 3447 O O . HOH K 6 . ? -27.121 23.521 19.270 1.00 38.33 ? 905 HOH A O 1 HETATM 3448 O O . HOH K 6 . ? -44.265 -0.899 40.935 1.00 44.49 ? 906 HOH A O 1 HETATM 3449 O O . HOH K 6 . ? -44.180 14.353 18.890 1.00 43.51 ? 907 HOH A O 1 HETATM 3450 O O . HOH K 6 . ? -44.544 3.630 39.128 1.00 51.20 ? 908 HOH A O 1 HETATM 3451 O O . HOH K 6 . ? -24.809 15.281 4.549 1.00 37.95 ? 909 HOH A O 1 HETATM 3452 O O . HOH K 6 . ? -42.463 -3.636 42.957 1.00 54.27 ? 910 HOH A O 1 HETATM 3453 O O . HOH K 6 . ? -35.409 -1.066 41.337 1.00 49.18 ? 911 HOH A O 1 HETATM 3454 O O . HOH K 6 . ? -9.676 4.334 18.625 1.00 38.24 ? 912 HOH A O 1 HETATM 3455 O O . HOH K 6 . ? -35.284 4.534 -0.623 1.00 51.66 ? 913 HOH A O 1 HETATM 3456 O O . HOH K 6 . ? -34.008 -8.102 44.737 1.00 45.77 ? 914 HOH A O 1 HETATM 3457 O O . HOH K 6 . ? -35.145 2.168 0.569 1.00 38.29 ? 915 HOH A O 1 HETATM 3458 O O . HOH K 6 . ? -31.523 -9.226 47.149 1.00 49.38 ? 916 HOH A O 1 HETATM 3459 O O . HOH K 6 . ? -51.257 -3.651 32.484 1.00 39.37 ? 917 HOH A O 1 HETATM 3460 O O . HOH K 6 . ? -10.538 2.257 17.067 1.00 33.26 ? 918 HOH A O 1 HETATM 3461 O O . HOH K 6 . ? -7.539 1.596 13.888 1.00 44.80 ? 919 HOH A O 1 HETATM 3462 O O . HOH K 6 . ? -32.236 25.961 25.070 1.00 45.08 ? 920 HOH A O 1 HETATM 3463 O O . HOH K 6 . ? -34.046 -17.616 38.544 1.00 33.44 ? 921 HOH A O 1 HETATM 3464 O O . HOH K 6 . ? -19.972 11.337 63.977 1.00 63.24 ? 922 HOH A O 1 HETATM 3465 O O . HOH K 6 . ? -28.699 12.543 -4.331 1.00 55.96 ? 923 HOH A O 1 HETATM 3466 O O . HOH K 6 . ? -31.761 25.633 22.330 1.00 40.05 ? 924 HOH A O 1 HETATM 3467 O O . HOH K 6 . ? -37.527 10.842 5.146 1.00 55.14 ? 925 HOH A O 1 HETATM 3468 O O . HOH K 6 . ? -40.992 20.931 24.603 1.00 47.90 ? 926 HOH A O 1 HETATM 3469 O O . HOH K 6 . ? -31.611 9.901 -2.099 1.00 46.94 ? 927 HOH A O 1 HETATM 3470 O O . HOH K 6 . ? -30.570 -19.066 40.595 1.00 42.30 ? 928 HOH A O 1 HETATM 3471 O O . HOH K 6 . ? -46.805 -0.402 16.645 1.00 54.79 ? 929 HOH A O 1 HETATM 3472 O O . HOH K 6 . ? -44.141 17.579 28.615 1.00 38.88 ? 930 HOH A O 1 HETATM 3473 O O . HOH K 6 . ? -40.308 -18.583 20.560 1.00 49.81 ? 931 HOH A O 1 HETATM 3474 O O . HOH K 6 . ? -49.931 -3.334 17.135 1.00 65.09 ? 932 HOH A O 1 HETATM 3475 O O . HOH K 6 . ? -47.226 7.465 15.110 1.00 42.99 ? 933 HOH A O 1 HETATM 3476 O O . HOH K 6 . ? -29.299 8.574 45.244 1.00 43.89 ? 934 HOH A O 1 HETATM 3477 O O . HOH K 6 . ? -33.620 12.926 4.461 1.00 46.71 ? 935 HOH A O 1 HETATM 3478 O O . HOH K 6 . ? -21.568 4.155 2.498 1.00 40.32 ? 936 HOH A O 1 HETATM 3479 O O . HOH K 6 . ? -32.844 16.185 6.532 1.00 32.11 ? 937 HOH A O 1 HETATM 3480 O O . HOH K 6 . ? -32.916 22.641 18.090 1.00 56.36 ? 938 HOH A O 1 HETATM 3481 O O . HOH K 6 . ? -19.569 -10.876 52.808 1.00 49.00 ? 939 HOH A O 1 HETATM 3482 O O . HOH K 6 . ? -46.236 -5.132 16.977 1.00 44.58 ? 940 HOH A O 1 HETATM 3483 O O . HOH K 6 . ? -29.529 21.715 6.803 1.00 47.97 ? 941 HOH A O 1 HETATM 3484 O O . HOH K 6 . ? -41.974 6.538 38.333 1.00 58.27 ? 942 HOH A O 1 HETATM 3485 O O . HOH K 6 . ? -23.240 -22.594 13.390 1.00 48.57 ? 943 HOH A O 1 HETATM 3486 O O . HOH K 6 . ? -51.196 -5.904 37.071 1.00 51.23 ? 944 HOH A O 1 HETATM 3487 O O . HOH K 6 . ? -23.144 -12.596 46.997 1.00 46.65 ? 945 HOH A O 1 HETATM 3488 O O . HOH K 6 . ? -42.861 19.362 23.381 1.00 56.07 ? 946 HOH A O 1 HETATM 3489 O O . HOH K 6 . ? -53.481 -4.159 27.515 1.00 43.49 ? 947 HOH A O 1 HETATM 3490 O O . HOH K 6 . ? -7.443 -2.083 49.542 1.00 36.80 ? 948 HOH A O 1 HETATM 3491 O O . HOH K 6 . ? -29.480 28.552 28.366 1.00 49.71 ? 949 HOH A O 1 HETATM 3492 O O . HOH K 6 . ? -21.687 -21.992 37.382 1.00 44.71 ? 950 HOH A O 1 HETATM 3493 O O . HOH K 6 . ? -35.229 16.985 7.627 1.00 36.61 ? 951 HOH A O 1 HETATM 3494 O O . HOH K 6 . ? -54.460 -11.301 19.344 1.00 41.71 ? 952 HOH A O 1 HETATM 3495 O O . HOH K 6 . ? -47.303 -24.528 20.911 1.00 59.04 ? 953 HOH A O 1 HETATM 3496 O O . HOH K 6 . ? -40.152 -8.293 45.706 1.00 48.00 ? 954 HOH A O 1 HETATM 3497 O O . HOH K 6 . ? -14.930 -16.389 44.521 1.00 33.65 ? 955 HOH A O 1 HETATM 3498 O O . HOH K 6 . ? -29.126 19.290 7.611 1.00 40.09 ? 956 HOH A O 1 HETATM 3499 O O . HOH K 6 . ? -38.001 0.841 4.389 1.00 40.61 ? 957 HOH A O 1 HETATM 3500 O O . HOH K 6 . ? -4.862 -1.118 49.641 1.00 48.41 ? 958 HOH A O 1 HETATM 3501 O O . HOH K 6 . ? -33.925 -11.442 14.526 1.00 38.35 ? 959 HOH A O 1 HETATM 3502 O O . HOH K 6 . ? -5.071 -0.484 27.039 1.00 40.06 ? 960 HOH A O 1 HETATM 3503 O O . HOH K 6 . ? -52.627 -8.866 15.190 1.00 68.24 ? 961 HOH A O 1 HETATM 3504 O O . HOH K 6 . ? -39.139 -20.636 30.327 1.00 38.36 ? 962 HOH A O 1 HETATM 3505 O O . HOH K 6 . ? -38.562 -12.932 36.057 1.00 42.50 ? 963 HOH A O 1 HETATM 3506 O O . HOH K 6 . ? -48.417 11.813 25.971 1.00 49.97 ? 964 HOH A O 1 HETATM 3507 O O . HOH K 6 . ? -26.292 29.548 30.165 1.00 47.32 ? 965 HOH A O 1 HETATM 3508 O O . HOH K 6 . ? -55.615 -11.642 21.932 1.00 50.47 ? 966 HOH A O 1 HETATM 3509 O O . HOH K 6 . ? -25.757 -17.353 12.417 1.00 45.13 ? 967 HOH A O 1 HETATM 3510 O O . HOH K 6 . ? -42.105 21.205 37.214 1.00 59.19 ? 968 HOH A O 1 HETATM 3511 O O . HOH K 6 . ? -26.434 -4.405 4.760 1.00 51.43 ? 969 HOH A O 1 HETATM 3512 O O . HOH K 6 . ? -39.927 -10.282 43.875 1.00 59.01 ? 970 HOH A O 1 HETATM 3513 O O . HOH K 6 . ? -33.837 -5.668 45.325 1.00 49.30 ? 971 HOH A O 1 HETATM 3514 O O . HOH K 6 . ? -8.120 -2.946 52.196 1.00 51.03 ? 972 HOH A O 1 HETATM 3515 O O . HOH K 6 . ? -22.693 2.086 14.466 1.00 47.16 ? 973 HOH A O 1 HETATM 3516 O O . HOH K 6 . ? -34.572 -20.278 20.193 1.00 49.56 ? 974 HOH A O 1 HETATM 3517 O O . HOH K 6 . ? -52.149 -5.066 22.826 1.00 48.47 ? 975 HOH A O 1 HETATM 3518 O O . HOH K 6 . ? -25.174 -21.676 14.826 1.00 54.18 ? 976 HOH A O 1 HETATM 3519 O O . HOH K 6 . ? -20.945 10.606 50.800 1.00 54.12 ? 977 HOH A O 1 HETATM 3520 O O . HOH K 6 . ? -13.993 11.970 8.234 1.00 50.56 ? 978 HOH A O 1 HETATM 3521 O O . HOH K 6 . ? -25.274 8.888 -5.495 1.00 54.97 ? 979 HOH A O 1 HETATM 3522 O O . HOH K 6 . ? -28.308 24.170 27.578 1.00 50.89 ? 980 HOH A O 1 HETATM 3523 O O . HOH K 6 . ? -18.551 13.879 66.310 1.00 68.51 ? 981 HOH A O 1 HETATM 3524 O O . HOH K 6 . ? -14.520 -18.761 43.517 1.00 52.17 ? 982 HOH A O 1 HETATM 3525 O O . HOH K 6 . ? -22.234 25.666 37.870 1.00 49.30 ? 983 HOH A O 1 HETATM 3526 O O . HOH K 6 . ? -33.859 2.159 41.299 1.00 41.43 ? 984 HOH A O 1 HETATM 3527 O O . HOH K 6 . ? -2.102 -0.394 28.555 1.00 36.18 ? 985 HOH A O 1 HETATM 3528 O O . HOH K 6 . ? -19.734 -3.042 2.205 1.00 56.48 ? 986 HOH A O 1 HETATM 3529 O O . HOH K 6 . ? -34.000 5.583 38.425 1.00 46.76 ? 987 HOH A O 1 HETATM 3530 O O . HOH K 6 . ? -8.542 -1.204 10.895 1.00 51.13 ? 988 HOH A O 1 HETATM 3531 O O . HOH K 6 . ? -38.340 13.286 5.074 1.00 60.53 ? 989 HOH A O 1 HETATM 3532 O O . HOH K 6 . ? -30.862 17.722 6.136 1.00 55.55 ? 990 HOH A O 1 HETATM 3533 O O . HOH K 6 . ? -25.362 18.652 42.407 1.00 52.84 ? 991 HOH A O 1 HETATM 3534 O O . HOH K 6 . ? -42.306 7.830 9.354 1.00 56.43 ? 992 HOH A O 1 HETATM 3535 O O . HOH K 6 . ? 0.000 -0.000 26.312 0.25 50.19 ? 993 HOH A O 1 HETATM 3536 O O . HOH K 6 . ? -36.432 20.068 12.436 1.00 56.24 ? 994 HOH A O 1 HETATM 3537 O O . HOH K 6 . ? -53.748 -8.459 27.541 1.00 42.49 ? 995 HOH A O 1 HETATM 3538 O O . HOH K 6 . ? -19.485 -4.528 57.985 1.00 60.65 ? 996 HOH A O 1 HETATM 3539 O O . HOH K 6 . ? -21.179 -5.065 4.881 1.00 42.42 ? 997 HOH A O 1 HETATM 3540 O O . HOH K 6 . ? -28.911 17.277 4.517 1.00 52.08 ? 998 HOH A O 1 HETATM 3541 O O . HOH K 6 . ? -8.493 5.406 52.423 1.00 52.24 ? 999 HOH A O 1 HETATM 3542 O O . HOH K 6 . ? -34.464 -10.792 11.990 1.00 54.32 ? 1000 HOH A O 1 HETATM 3543 O O . HOH K 6 . ? -53.044 -11.061 27.318 1.00 62.92 ? 1001 HOH A O 1 HETATM 3544 O O . HOH K 6 . ? -24.564 -16.149 3.972 1.00 63.58 ? 1002 HOH A O 1 HETATM 3545 O O . HOH K 6 . ? -19.491 13.101 49.540 1.00 56.61 ? 1003 HOH A O 1 HETATM 3546 O O . HOH K 6 . ? -44.141 15.694 16.393 1.00 52.15 ? 1004 HOH A O 1 HETATM 3547 O O . HOH K 6 . ? -45.085 10.273 38.864 1.00 56.49 ? 1005 HOH A O 1 HETATM 3548 O O . HOH K 6 . ? -36.609 0.445 2.137 1.00 49.95 ? 1006 HOH A O 1 HETATM 3549 O O . HOH K 6 . ? -8.059 2.117 18.714 1.00 50.39 ? 1007 HOH A O 1 HETATM 3550 O O . HOH K 6 . ? -42.933 -1.114 43.114 1.00 62.06 ? 1008 HOH A O 1 HETATM 3551 O O . HOH K 6 . ? -41.375 -3.972 13.369 1.00 52.96 ? 1009 HOH A O 1 # loop_ _atom_site_anisotrop.id _atom_site_anisotrop.type_symbol _atom_site_anisotrop.pdbx_label_atom_id _atom_site_anisotrop.pdbx_label_alt_id _atom_site_anisotrop.pdbx_label_comp_id _atom_site_anisotrop.pdbx_label_asym_id _atom_site_anisotrop.pdbx_label_seq_id _atom_site_anisotrop.pdbx_PDB_ins_code _atom_site_anisotrop.U[1][1] _atom_site_anisotrop.U[2][2] _atom_site_anisotrop.U[3][3] _atom_site_anisotrop.U[1][2] _atom_site_anisotrop.U[1][3] _atom_site_anisotrop.U[2][3] _atom_site_anisotrop.pdbx_auth_seq_id _atom_site_anisotrop.pdbx_auth_comp_id _atom_site_anisotrop.pdbx_auth_asym_id _atom_site_anisotrop.pdbx_auth_atom_id 1 N N . PHE A 1 ? 0.9417 0.9862 0.7554 0.0372 -0.0329 0.0233 82 PHE A N 2 C CA . PHE A 1 ? 0.9662 1.0084 0.7810 0.0379 -0.0381 0.0257 82 PHE A CA 3 C C . PHE A 1 ? 0.9503 0.9902 0.7720 0.0371 -0.0430 0.0211 82 PHE A C 4 O O . PHE A 1 ? 1.0122 1.0531 0.8333 0.0385 -0.0460 0.0156 82 PHE A O 5 C CB . PHE A 1 ? 0.9700 1.0143 0.7742 0.0426 -0.0434 0.0275 82 PHE A CB 6 C CG . PHE A 1 ? 0.9745 1.0169 0.7805 0.0439 -0.0507 0.0290 82 PHE A CG 7 C CD1 . PHE A 1 ? 0.9828 1.0236 0.7900 0.0432 -0.0502 0.0358 82 PHE A CD1 8 C CD2 . PHE A 1 ? 0.9534 0.9955 0.7609 0.0458 -0.0585 0.0237 82 PHE A CD2 9 C CE1 . PHE A 1 ? 0.9551 0.9943 0.7651 0.0446 -0.0575 0.0374 82 PHE A CE1 10 C CE2 . PHE A 1 ? 0.9405 0.9812 0.7511 0.0471 -0.0660 0.0250 82 PHE A CE2 11 C CZ . PHE A 1 ? 0.9414 0.9808 0.7534 0.0465 -0.0656 0.0320 82 PHE A CZ 12 N N . ARG A 2 ? 0.6064 0.6435 0.4351 0.0349 -0.0438 0.0237 83 ARG A N 13 C CA . ARG A 2 ? 0.5572 0.5925 0.3933 0.0341 -0.0487 0.0205 83 ARG A CA 14 C C . ARG A 2 ? 0.5112 0.5454 0.3491 0.0356 -0.0550 0.0240 83 ARG A C 15 O O . ARG A 2 ? 0.4839 0.5173 0.3217 0.0349 -0.0526 0.0297 83 ARG A O 16 C CB . ARG A 2 ? 0.5411 0.5742 0.3858 0.0298 -0.0431 0.0204 83 ARG A CB 17 C CG . ARG A 2 ? 0.5568 0.5908 0.4009 0.0278 -0.0357 0.0190 83 ARG A CG 18 C CD . ARG A 2 ? 0.6247 0.6608 0.4652 0.0299 -0.0376 0.0139 83 ARG A CD 19 N NE . ARG A 2 ? 0.6382 0.6730 0.4843 0.0293 -0.0411 0.0095 83 ARG A NE 20 C CZ . ARG A 2 ? 0.6333 0.6679 0.4836 0.0272 -0.0376 0.0069 83 ARG A CZ 21 N NH1 . ARG A 2 ? 0.6324 0.6678 0.4824 0.0257 -0.0312 0.0078 83 ARG A NH1 22 N NH2 . ARG A 2 ? 0.5976 0.6309 0.4527 0.0268 -0.0412 0.0036 83 ARG A NH2 23 N N . PRO A 3 ? 0.4512 0.4857 0.2918 0.0376 -0.0636 0.0207 84 PRO A N 24 C CA . PRO A 3 ? 0.3838 0.4178 0.2284 0.0392 -0.0705 0.0240 84 PRO A CA 25 C C . PRO A 3 ? 0.3477 0.3789 0.2078 0.0357 -0.0676 0.0255 84 PRO A C 26 O O . PRO A 3 ? 0.3034 0.3336 0.1691 0.0327 -0.0635 0.0229 84 PRO A O 27 C CB . PRO A 3 ? 0.4044 0.4398 0.2496 0.0425 -0.0805 0.0184 84 PRO A CB 28 C CG . PRO A 3 ? 0.4733 0.5097 0.3133 0.0428 -0.0782 0.0125 84 PRO A CG 29 C CD . PRO A 3 ? 0.4146 0.4499 0.2558 0.0389 -0.0679 0.0138 84 PRO A CD 30 N N . PHE A 4 ? 0.3455 0.3755 0.2137 0.0360 -0.0691 0.0294 85 PHE A N 31 C CA . PHE A 4 ? 0.2771 0.3046 0.1624 0.0332 -0.0667 0.0300 85 PHE A CA 32 C C . PHE A 4 ? 0.2978 0.3255 0.1934 0.0332 -0.0718 0.0247 85 PHE A C 33 O O . PHE A 4 ? 0.3092 0.3385 0.2019 0.0362 -0.0799 0.0213 85 PHE A O 34 C CB . PHE A 4 ? 0.2822 0.3087 0.1750 0.0343 -0.0690 0.0347 85 PHE A CB 35 C CG . PHE A 4 ? 0.3033 0.3287 0.1915 0.0334 -0.0627 0.0406 85 PHE A CG 36 C CD1 . PHE A 4 ? 0.2475 0.2714 0.1375 0.0298 -0.0537 0.0415 85 PHE A CD1 37 C CD2 . PHE A 4 ? 0.3018 0.3277 0.1850 0.0362 -0.0661 0.0453 85 PHE A CD2 38 C CE1 . PHE A 4 ? 0.2667 0.2893 0.1539 0.0289 -0.0482 0.0465 85 PHE A CE1 39 C CE2 . PHE A 4 ? 0.3046 0.3292 0.1851 0.0353 -0.0603 0.0510 85 PHE A CE2 40 C CZ . PHE A 4 ? 0.3014 0.3244 0.1845 0.0315 -0.0514 0.0514 85 PHE A CZ 41 N N . LYS A 5 ? 0.3024 0.3284 0.2103 0.0299 -0.0671 0.0240 86 LYS A N 42 C CA . LYS A 5 ? 0.2722 0.2982 0.1926 0.0296 -0.0713 0.0199 86 LYS A CA 43 C C . LYS A 5 ? 0.3095 0.3359 0.2402 0.0320 -0.0798 0.0197 86 LYS A C 44 O O . LYS A 5 ? 0.3094 0.3351 0.2436 0.0327 -0.0799 0.0238 86 LYS A O 45 C CB . LYS A 5 ? 0.3010 0.3252 0.2332 0.0257 -0.0639 0.0204 86 LYS A CB 46 C CG . LYS A 5 ? 0.3567 0.3808 0.2808 0.0236 -0.0579 0.0188 86 LYS A CG 47 C CD . LYS A 5 ? 0.3590 0.3814 0.2899 0.0201 -0.0488 0.0210 86 LYS A CD 48 C CE . LYS A 5 ? 0.3148 0.3364 0.2638 0.0188 -0.0490 0.0207 86 LYS A CE 49 N NZ . LYS A 5 ? 0.2532 0.2734 0.2071 0.0157 -0.0397 0.0226 86 LYS A NZ 50 N N . SER A 6 ? 0.2597 0.2870 0.1956 0.0335 -0.0871 0.0148 87 SER A N 51 C CA . SER A 6 ? 0.2978 0.3259 0.2434 0.0362 -0.0968 0.0134 87 SER A CA 52 C C . SER A 6 ? 0.2980 0.3250 0.2657 0.0341 -0.0969 0.0128 87 SER A C 53 O O . SER A 6 ? 0.2773 0.3032 0.2518 0.0308 -0.0903 0.0126 87 SER A O 54 C CB . SER A 6 ? 0.3138 0.3437 0.2514 0.0395 -0.1057 0.0076 87 SER A CB 55 O OG . SER A 6 ? 0.3768 0.4081 0.2947 0.0424 -0.1070 0.0085 87 SER A OG 56 N N . PRO A 7 ? 0.2889 0.3164 0.2682 0.0361 -0.1045 0.0126 88 PRO A N 57 C CA . PRO A 7 ? 0.2612 0.2881 0.2632 0.0344 -0.1057 0.0119 88 PRO A CA 58 C C . PRO A 7 ? 0.2979 0.3254 0.3079 0.0345 -0.1113 0.0060 88 PRO A C 59 O O . PRO A 7 ? 0.3335 0.3618 0.3544 0.0366 -0.1206 0.0031 88 PRO A O 60 C CB . PRO A 7 ? 0.2916 0.3191 0.3009 0.0372 -0.1133 0.0134 88 PRO A CB 61 C CG . PRO A 7 ? 0.3377 0.3666 0.3280 0.0412 -0.1203 0.0121 88 PRO A CG 62 C CD . PRO A 7 ? 0.3053 0.3338 0.2770 0.0399 -0.1118 0.0140 88 PRO A CD 63 N N . LEU A 8 ? 0.2582 0.2852 0.2637 0.0324 -0.1059 0.0043 89 LEU A N 64 C CA . LEU A 8 ? 0.2763 0.3035 0.2894 0.0324 -0.1109 -0.0010 89 LEU A CA 65 C C . LEU A 8 ? 0.2161 0.2426 0.2534 0.0299 -0.1096 -0.0006 89 LEU A C 66 O O . LEU A 8 ? 0.2161 0.2418 0.2616 0.0272 -0.1014 0.0039 89 LEU A O 67 C CB . LEU A 8 ? 0.2389 0.2658 0.2389 0.0311 -0.1057 -0.0027 89 LEU A CB 68 C CG . LEU A 8 ? 0.2765 0.3045 0.2531 0.0336 -0.1066 -0.0037 89 LEU A CG 69 C CD1 . LEU A 8 ? 0.2718 0.2993 0.2381 0.0318 -0.1002 -0.0048 89 LEU A CD1 70 C CD2 . LEU A 8 ? 0.3113 0.3409 0.2835 0.0379 -0.1184 -0.0090 89 LEU A CD2 71 N N . PRO A 9 ? 0.2401 0.2671 0.2893 0.0308 -0.1175 -0.0054 90 PRO A N 72 C CA . PRO A 9 ? 0.2582 0.2847 0.3312 0.0283 -0.1161 -0.0050 90 PRO A CA 73 C C . PRO A 9 ? 0.2525 0.2777 0.3252 0.0248 -0.1066 -0.0035 90 PRO A C 74 O O . PRO A 9 ? 0.2382 0.2631 0.2939 0.0250 -0.1043 -0.0048 90 PRO A O 75 C CB . PRO A 9 ? 0.2645 0.2917 0.3465 0.0306 -0.1281 -0.0115 90 PRO A CB 76 C CG . PRO A 9 ? 0.2733 0.3010 0.3330 0.0333 -0.1322 -0.0157 90 PRO A CG 77 C CD . PRO A 9 ? 0.2752 0.3032 0.3168 0.0344 -0.1285 -0.0117 90 PRO A CD 78 N N . LEU A 10 ? 0.2481 0.2728 0.3394 0.0220 -0.1012 -0.0006 91 LEU A N 79 C CA . LEU A 10 ? 0.2472 0.2708 0.3404 0.0190 -0.0930 0.0010 91 LEU A CA 80 C C . LEU A 10 ? 0.2977 0.3211 0.3945 0.0197 -0.0999 -0.0042 91 LEU A C 81 O O . LEU A 10 ? 0.2910 0.3150 0.4002 0.0214 -0.1095 -0.0081 91 LEU A O 82 C CB . LEU A 10 ? 0.2916 0.3151 0.4053 0.0162 -0.0863 0.0055 91 LEU A CB 83 C CG . LEU A 10 ? 0.2315 0.2542 0.3440 0.0130 -0.0739 0.0099 91 LEU A CG 84 C CD1 . LEU A 10 ? 0.1863 0.2085 0.2776 0.0128 -0.0669 0.0122 91 LEU A CD1 85 C CD2 . LEU A 10 ? 0.2314 0.2546 0.3656 0.0111 -0.0685 0.0140 91 LEU A CD2 86 N N . CYS A 11 ? 0.2517 0.2741 0.3381 0.0185 -0.0952 -0.0045 92 CYS A N 87 C CA . CYS A 11 ? 0.2663 0.2882 0.3574 0.0189 -0.1007 -0.0091 92 CYS A CA 88 C C . CYS A 11 ? 0.2283 0.2496 0.3449 0.0167 -0.1003 -0.0078 92 CYS A C 89 O O . CYS A 11 ? 0.2737 0.2949 0.4003 0.0142 -0.0922 -0.0023 92 CYS A O 90 C CB . CYS A 11 ? 0.2657 0.2867 0.3408 0.0179 -0.0948 -0.0089 92 CYS A CB 91 S SG . CYS A 11 ? 0.2797 0.3015 0.3254 0.0200 -0.0939 -0.0101 92 CYS A SG 92 N N . PRO A 12 ? 0.2986 0.3196 0.4263 0.0177 -0.1088 -0.0128 93 PRO A N 93 C CA . PRO A 12 ? 0.3007 0.3210 0.4533 0.0155 -0.1081 -0.0113 93 PRO A CA 94 C C . PRO A 12 ? 0.2589 0.2779 0.4101 0.0123 -0.0970 -0.0061 93 PRO A C 95 O O . PRO A 12 ? 0.2673 0.2857 0.3998 0.0124 -0.0938 -0.0066 93 PRO A O 96 C CB . PRO A 12 ? 0.2911 0.3109 0.4498 0.0175 -0.1195 -0.0188 93 PRO A CB 97 C CG . PRO A 12 ? 0.3550 0.3760 0.4962 0.0214 -0.1278 -0.0244 93 PRO A CG 98 C CD . PRO A 12 ? 0.2588 0.2802 0.3770 0.0212 -0.1197 -0.0204 93 PRO A CD 99 N N . PHE A 13 ? 0.2281 0.2469 0.3987 0.0096 -0.0910 -0.0010 94 PHE A N 100 C CA . PHE A 13 ? 0.2256 0.2433 0.3960 0.0069 -0.0808 0.0043 94 PHE A CA 101 C C . PHE A 13 ? 0.2332 0.2508 0.4304 0.0046 -0.0779 0.0084 94 PHE A C 102 O O . PHE A 13 ? 0.1947 0.2135 0.4097 0.0045 -0.0801 0.0091 94 PHE A O 103 C CB . PHE A 13 ? 0.1769 0.1949 0.3299 0.0058 -0.0699 0.0094 94 PHE A CB 104 C CG . PHE A 13 ? 0.1863 0.2058 0.3480 0.0052 -0.0655 0.0132 94 PHE A CG 105 C CD1 . PHE A 13 ? 0.1899 0.2097 0.3634 0.0028 -0.0556 0.0195 94 PHE A CD1 106 C CD2 . PHE A 13 ? 0.2113 0.2318 0.3694 0.0073 -0.0713 0.0105 94 PHE A CD2 107 C CE1 . PHE A 13 ? 0.2233 0.2445 0.4054 0.0024 -0.0514 0.0226 94 PHE A CE1 108 C CE2 . PHE A 13 ? 0.1659 0.1876 0.3329 0.0069 -0.0676 0.0139 94 PHE A CE2 109 C CZ . PHE A 13 ? 0.2027 0.2248 0.3820 0.0044 -0.0575 0.0197 94 PHE A CZ 110 N N . ARG A 14 ? 0.2151 0.2314 0.4157 0.0027 -0.0730 0.0114 95 ARG A N 111 C CA . ARG A 14 ? 0.2334 0.2496 0.4590 0.0004 -0.0689 0.0163 95 ARG A CA 112 C C . ARG A 14 ? 0.2184 0.2341 0.4397 -0.0020 -0.0562 0.0240 95 ARG A C 113 O O . ARG A 14 ? 0.2030 0.2186 0.4431 -0.0040 -0.0514 0.0291 95 ARG A O 114 C CB . ARG A 14 ? 0.2810 0.2960 0.5253 0.0007 -0.0784 0.0122 95 ARG A CB 115 C CG . ARG A 14 ? 0.3113 0.3242 0.5472 0.0006 -0.0788 0.0109 95 ARG A CG 116 C CD . ARG A 14 ? 0.3365 0.3481 0.5916 0.0012 -0.0895 0.0055 95 ARG A CD 117 N NE . ARG A 14 ? 0.3847 0.3970 0.6361 0.0043 -0.1017 -0.0033 95 ARG A NE 118 C CZ . ARG A 14 ? 0.5248 0.5365 0.7916 0.0057 -0.1130 -0.0099 95 ARG A CZ 119 N NH1 . ARG A 14 ? 0.4736 0.4837 0.7623 0.0040 -0.1137 -0.0085 95 ARG A NH1 120 N NH2 . ARG A 14 ? 0.5260 0.5386 0.7864 0.0089 -0.1237 -0.0178 95 ARG A NH2 121 N N . GLY A 15 ? 0.1947 0.2102 0.3913 -0.0018 -0.0505 0.0249 96 GLY A N 122 C CA . GLY A 15 ? 0.1932 0.2085 0.3839 -0.0037 -0.0385 0.0320 96 GLY A CA 123 C C . GLY A 15 ? 0.1668 0.1820 0.3295 -0.0030 -0.0342 0.0314 96 GLY A C 124 O O . GLY A 15 ? 0.1720 0.1870 0.3204 -0.0012 -0.0405 0.0259 96 GLY A O 125 N N . PHE A 16 ? 0.1531 0.1683 0.3083 -0.0045 -0.0233 0.0373 97 PHE A N 126 C CA . PHE A 16 ? 0.1669 0.1821 0.2973 -0.0040 -0.0185 0.0371 97 PHE A CA 127 C C . PHE A 16 ? 0.1748 0.1888 0.2943 -0.0047 -0.0144 0.0395 97 PHE A C 128 O O . PHE A 16 ? 0.1952 0.2086 0.3262 -0.0060 -0.0107 0.0441 97 PHE A O 129 C CB . PHE A 16 ? 0.1780 0.1947 0.3066 -0.0046 -0.0098 0.0409 97 PHE A CB 130 C CG . PHE A 16 ? 0.1782 0.1960 0.3116 -0.0034 -0.0146 0.0377 97 PHE A CG 131 C CD1 . PHE A 16 ? 0.1503 0.1682 0.2658 -0.0021 -0.0167 0.0343 97 PHE A CD1 132 C CD2 . PHE A 16 ? 0.1986 0.2174 0.3551 -0.0036 -0.0176 0.0383 97 PHE A CD2 133 C CE1 . PHE A 16 ? 0.1586 0.1775 0.2784 -0.0008 -0.0214 0.0318 97 PHE A CE1 134 C CE2 . PHE A 16 ? 0.1953 0.2152 0.3564 -0.0024 -0.0227 0.0354 97 PHE A CE2 135 C CZ . PHE A 16 ? 0.1778 0.1976 0.3201 -0.0009 -0.0246 0.0324 97 PHE A CZ 136 N N . PHE A 17 ? 0.1576 0.1712 0.2554 -0.0038 -0.0153 0.0364 98 PHE A N 137 C CA . PHE A 17 ? 0.1552 0.1675 0.2416 -0.0040 -0.0140 0.0369 98 PHE A CA 138 C C . PHE A 17 ? 0.1604 0.1730 0.2249 -0.0040 -0.0072 0.0381 98 PHE A C 139 O O . PHE A 17 ? 0.1446 0.1581 0.1985 -0.0032 -0.0076 0.0354 98 PHE A O 140 C CB . PHE A 17 ? 0.1500 0.1614 0.2329 -0.0024 -0.0242 0.0303 98 PHE A CB 141 C CG . PHE A 17 ? 0.1571 0.1679 0.2613 -0.0022 -0.0318 0.0284 98 PHE A CG 142 C CD1 . PHE A 17 ? 0.2034 0.2125 0.3153 -0.0026 -0.0339 0.0289 98 PHE A CD1 143 C CD2 . PHE A 17 ? 0.1824 0.1940 0.2995 -0.0016 -0.0370 0.0259 98 PHE A CD2 144 C CE1 . PHE A 17 ? 0.1837 0.1920 0.3164 -0.0025 -0.0411 0.0267 98 PHE A CE1 145 C CE2 . PHE A 17 ? 0.2014 0.2124 0.3390 -0.0014 -0.0444 0.0236 98 PHE A CE2 146 C CZ . PHE A 17 ? 0.1972 0.2065 0.3427 -0.0019 -0.0465 0.0238 98 PHE A CZ 147 N N . PRO A 18 ? 0.1573 0.1693 0.2151 -0.0048 -0.0014 0.0421 99 PRO A N 148 C CA . PRO A 18 ? 0.1520 0.1644 0.1897 -0.0048 0.0050 0.0431 99 PRO A CA 149 C C . PRO A 18 ? 0.1413 0.1536 0.1618 -0.0036 -0.0001 0.0374 99 PRO A C 150 O O . PRO A 18 ? 0.1613 0.1728 0.1807 -0.0029 -0.0063 0.0342 99 PRO A O 151 C CB . PRO A 18 ? 0.1817 0.1932 0.2182 -0.0057 0.0102 0.0482 99 PRO A CB 152 C CG . PRO A 18 ? 0.1798 0.1901 0.2315 -0.0058 0.0041 0.0481 99 PRO A CG 153 C CD . PRO A 18 ? 0.1704 0.1811 0.2391 -0.0056 -0.0011 0.0456 99 PRO A CD 154 N N . PHE A 19 ? 0.1568 0.1700 0.1648 -0.0033 0.0029 0.0361 100 PHE A N 155 C CA . PHE A 19 ? 0.1426 0.1560 0.1355 -0.0022 -0.0015 0.0310 100 PHE A CA 156 C C . PHE A 19 ? 0.1529 0.1663 0.1283 -0.0025 0.0038 0.0318 100 PHE A C 157 O O . PHE A 19 ? 0.1722 0.1851 0.1410 -0.0023 0.0024 0.0312 100 PHE A O 158 C CB . PHE A 19 ? 0.1633 0.1776 0.1575 -0.0016 -0.0028 0.0292 100 PHE A CB 159 C CG . PHE A 19 ? 0.1733 0.1882 0.1561 -0.0001 -0.0086 0.0242 100 PHE A CG 160 C CD1 . PHE A 19 ? 0.1883 0.2030 0.1649 0.0009 -0.0143 0.0206 100 PHE A CD1 161 C CD2 . PHE A 19 ? 0.1737 0.1892 0.1527 0.0004 -0.0081 0.0234 100 PHE A CD2 162 C CE1 . PHE A 19 ? 0.1778 0.1933 0.1436 0.0024 -0.0189 0.0163 100 PHE A CE1 163 C CE2 . PHE A 19 ? 0.1684 0.1845 0.1370 0.0018 -0.0129 0.0196 100 PHE A CE2 164 C CZ . PHE A 19 ? 0.1763 0.1926 0.1379 0.0029 -0.0181 0.0161 100 PHE A CZ 165 N N . HIS A 20 ? 0.1457 0.1598 0.1144 -0.0028 0.0095 0.0328 101 HIS A N 166 C CA . HIS A 20 ? 0.1533 0.1675 0.1060 -0.0030 0.0144 0.0331 101 HIS A CA 167 C C . HIS A 20 ? 0.1554 0.1698 0.1094 -0.0039 0.0231 0.0376 101 HIS A C 168 O O . HIS A 20 ? 0.1717 0.1864 0.1360 -0.0041 0.0259 0.0396 101 HIS A O 169 C CB . HIS A 20 ? 0.1371 0.1519 0.0793 -0.0025 0.0136 0.0296 101 HIS A CB 170 C CG . HIS A 20 ? 0.1499 0.1650 0.0867 -0.0015 0.0064 0.0253 101 HIS A CG 171 N ND1 . HIS A 20 ? 0.1553 0.1706 0.0794 -0.0012 0.0053 0.0232 101 HIS A ND1 172 C CD2 . HIS A 20 ? 0.1743 0.1897 0.1157 -0.0004 0.0001 0.0225 101 HIS A CD2 173 C CE1 . HIS A 20 ? 0.1456 0.1615 0.0672 0.0000 -0.0009 0.0195 101 HIS A CE1 174 N NE2 . HIS A 20 ? 0.1455 0.1615 0.0768 0.0006 -0.0043 0.0190 101 HIS A NE2 175 N N . LYS A 21 ? 0.1686 0.1828 0.1116 -0.0041 0.0273 0.0391 102 LYS A N 176 C CA . LYS A 21 ? 0.1570 0.1716 0.0981 -0.0044 0.0357 0.0430 102 LYS A CA 177 C C . LYS A 21 ? 0.1712 0.1859 0.0948 -0.0042 0.0385 0.0415 102 LYS A C 178 O O . LYS A 21 ? 0.1734 0.1877 0.0891 -0.0040 0.0357 0.0405 102 LYS A O 179 C CB . LYS A 21 ? 0.1697 0.1840 0.1195 -0.0048 0.0384 0.0483 102 LYS A CB 180 C CG . LYS A 21 ? 0.1800 0.1950 0.1286 -0.0049 0.0476 0.0528 102 LYS A CG 181 C CD . LYS A 21 ? 0.2131 0.2278 0.1701 -0.0052 0.0501 0.0588 102 LYS A CD 182 C CE . LYS A 21 ? 0.2356 0.2515 0.1949 -0.0051 0.0596 0.0639 102 LYS A CE 183 N NZ . LYS A 21 ? 0.2123 0.2288 0.1537 -0.0043 0.0649 0.0632 102 LYS A NZ 184 N N . ASP A 22 ? 0.1704 0.1857 0.0885 -0.0041 0.0440 0.0411 103 ASP A N 185 C CA . ASP A 22 ? 0.2033 0.2186 0.1053 -0.0039 0.0456 0.0386 103 ASP A CA 186 C C . ASP A 22 ? 0.1893 0.2046 0.0861 -0.0031 0.0501 0.0404 103 ASP A C 187 O O . ASP A 22 ? 0.1911 0.2060 0.0810 -0.0023 0.0474 0.0370 103 ASP A O 188 C CB . ASP A 22 ? 0.1868 0.2022 0.0868 -0.0036 0.0456 0.0343 103 ASP A CB 189 C CG . ASP A 22 ? 0.1865 0.2025 0.0910 -0.0037 0.0525 0.0364 103 ASP A CG 190 O OD1 . ASP A 22 ? 0.2160 0.2324 0.1239 -0.0036 0.0578 0.0402 103 ASP A OD1 191 O OD2 . ASP A 22 ? 0.2132 0.2291 0.1189 -0.0036 0.0524 0.0340 103 ASP A OD2 192 N N . ASN A 23 ? 0.1911 0.2070 0.0922 -0.0034 0.0566 0.0460 104 ASN A N 193 C CA . ASN A 23 ? 0.2004 0.2164 0.0960 -0.0023 0.0605 0.0480 104 ASN A CA 194 C C . ASN A 23 ? 0.2015 0.2172 0.0889 -0.0009 0.0609 0.0428 104 ASN A C 195 O O . ASN A 23 ? 0.2289 0.2443 0.1084 0.0001 0.0603 0.0417 104 ASN A O 196 C CB . ASN A 23 ? 0.2131 0.2284 0.1047 -0.0021 0.0564 0.0493 104 ASN A CB 197 C CG . ASN A 23 ? 0.2224 0.2374 0.1242 -0.0033 0.0552 0.0543 104 ASN A CG 198 O OD1 . ASN A 23 ? 0.2554 0.2696 0.1604 -0.0036 0.0482 0.0519 104 ASN A OD1 199 N ND2 . ASN A 23 ? 0.2029 0.2183 0.1141 -0.0034 0.0604 0.0598 104 ASN A ND2 200 N N . ALA A 24 ? 0.1998 0.2154 0.0895 -0.0011 0.0621 0.0398 105 ALA A N 201 C CA . ALA A 24 ? 0.2172 0.2321 0.1004 -0.0003 0.0612 0.0344 105 ALA A CA 202 C C . ALA A 24 ? 0.2328 0.2479 0.1095 0.0011 0.0668 0.0350 105 ALA A C 203 O O . ALA A 24 ? 0.2434 0.2578 0.1125 0.0018 0.0650 0.0313 105 ALA A O 204 C CB . ALA A 24 ? 0.2096 0.2243 0.0975 -0.0009 0.0617 0.0319 105 ALA A CB 205 N N . ILE A 25 ? 0.2277 0.2439 0.1075 0.0015 0.0737 0.0400 106 ILE A N 206 C CA . ILE A 25 ? 0.2683 0.2849 0.1406 0.0032 0.0795 0.0407 106 ILE A CA 207 C C . ILE A 25 ? 0.2732 0.2897 0.1372 0.0042 0.0776 0.0424 106 ILE A C 208 O O . ILE A 25 ? 0.2647 0.2810 0.1191 0.0054 0.0773 0.0395 106 ILE A O 209 C CB . ILE A 25 ? 0.2641 0.2822 0.1423 0.0037 0.0884 0.0458 106 ILE A CB 210 C CG1 . ILE A 25 ? 0.2747 0.2932 0.1625 0.0027 0.0901 0.0442 106 ILE A CG1 211 C CG2 . ILE A 25 ? 0.2780 0.2968 0.1470 0.0058 0.0945 0.0457 106 ILE A CG2 212 C CD1 . ILE A 25 ? 0.3047 0.3221 0.1876 0.0033 0.0892 0.0377 106 ILE A CD1 213 N N . ARG A 26 ? 0.2583 0.2751 0.1263 0.0035 0.0762 0.0471 107 ARG A N 214 C CA . ARG A 26 ? 0.2480 0.2647 0.1091 0.0042 0.0737 0.0489 107 ARG A CA 215 C C . ARG A 26 ? 0.2748 0.2907 0.1293 0.0043 0.0667 0.0424 107 ARG A C 216 O O . ARG A 26 ? 0.2621 0.2782 0.1075 0.0056 0.0665 0.0414 107 ARG A O 217 C CB . ARG A 26 ? 0.2439 0.2606 0.1121 0.0030 0.0716 0.0540 107 ARG A CB 218 C CG . ARG A 26 ? 0.2446 0.2622 0.1205 0.0026 0.0788 0.0621 107 ARG A CG 219 C CD . ARG A 26 ? 0.2536 0.2708 0.1391 0.0007 0.0760 0.0665 107 ARG A CD 220 N NE . ARG A 26 ? 0.2481 0.2643 0.1282 0.0009 0.0705 0.0668 107 ARG A NE 221 C CZ . ARG A 26 ? 0.2848 0.3009 0.1633 0.0014 0.0728 0.0732 107 ARG A CZ 222 N NH1 . ARG A 26 ? 0.2683 0.2836 0.1425 0.0016 0.0673 0.0730 107 ARG A NH1 223 N NH2 . ARG A 26 ? 0.2912 0.3083 0.1731 0.0017 0.0807 0.0803 107 ARG A NH2 224 N N . LEU A 27 ? 0.2512 0.2664 0.1107 0.0029 0.0613 0.0383 108 LEU A N 225 C CA . LEU A 27 ? 0.2605 0.2753 0.1164 0.0027 0.0552 0.0326 108 LEU A CA 226 C C . LEU A 27 ? 0.2354 0.2499 0.0859 0.0033 0.0564 0.0280 108 LEU A C 227 O O . LEU A 27 ? 0.2648 0.2791 0.1123 0.0031 0.0522 0.0238 108 LEU A O 228 C CB . LEU A 27 ? 0.2140 0.2284 0.0770 0.0012 0.0497 0.0301 108 LEU A CB 229 C CG . LEU A 27 ? 0.2112 0.2258 0.0780 0.0006 0.0469 0.0334 108 LEU A CG 230 C CD1 . LEU A 27 ? 0.2157 0.2302 0.0896 -0.0006 0.0431 0.0318 108 LEU A CD1 231 C CD2 . LEU A 27 ? 0.2208 0.2356 0.0828 0.0011 0.0429 0.0325 108 LEU A CD2 232 N N . GLY A 28 ? 0.2598 0.2743 0.1097 0.0040 0.0625 0.0289 109 GLY A N 233 C CA . GLY A 28 ? 0.2485 0.2627 0.0936 0.0045 0.0642 0.0244 109 GLY A CA 234 C C . GLY A 28 ? 0.2934 0.3083 0.1280 0.0065 0.0678 0.0248 109 GLY A C 235 O O . GLY A 28 ? 0.3018 0.3165 0.1312 0.0073 0.0699 0.0212 109 GLY A O 236 N N . GLU A 29 ? 0.2802 0.2958 0.1112 0.0074 0.0685 0.0294 110 GLU A N 237 C CA . GLU A 29 ? 0.3353 0.3519 0.1554 0.0097 0.0724 0.0309 110 GLU A CA 238 C C . GLU A 29 ? 0.3403 0.3568 0.1520 0.0103 0.0690 0.0251 110 GLU A C 239 O O . GLU A 29 ? 0.3626 0.3798 0.1651 0.0123 0.0728 0.0238 110 GLU A O 240 C CB . GLU A 29 ? 0.3382 0.3556 0.1562 0.0104 0.0725 0.0370 110 GLU A CB 241 C CG . GLU A 29 ? 0.3654 0.3839 0.1723 0.0130 0.0780 0.0405 110 GLU A CG 242 C CD . GLU A 29 ? 0.3867 0.4058 0.1899 0.0137 0.0765 0.0459 110 GLU A CD 243 O OE1 . GLU A 29 ? 0.3582 0.3770 0.1698 0.0123 0.0751 0.0500 110 GLU A OE1 244 O OE2 . GLU A 29 ? 0.4409 0.4607 0.2326 0.0157 0.0764 0.0459 110 GLU A OE2 245 N N . ASN A 30 ? 0.2675 0.2835 0.0824 0.0088 0.0621 0.0215 111 ASN A N 246 C CA . ASN A 30 ? 0.3055 0.3218 0.1141 0.0092 0.0588 0.0162 111 ASN A CA 247 C C . ASN A 30 ? 0.2975 0.3129 0.1098 0.0079 0.0580 0.0107 111 ASN A C 248 O O . ASN A 30 ? 0.3322 0.3476 0.1432 0.0073 0.0539 0.0064 111 ASN A O 249 C CB . ASN A 30 ? 0.3082 0.3248 0.1174 0.0085 0.0524 0.0160 111 ASN A CB 250 C CG . ASN A 30 ? 0.3728 0.3903 0.1728 0.0097 0.0500 0.0126 111 ASN A CG 251 O OD1 . ASN A 30 ? 0.3730 0.3907 0.1754 0.0086 0.0448 0.0095 111 ASN A OD1 252 N ND2 . ASN A 30 ? 0.3824 0.4006 0.1717 0.0120 0.0540 0.0131 111 ASN A ND2 253 N N . LYS A 31 ? 0.2708 0.2855 0.0880 0.0076 0.0621 0.0112 112 LYS A N 254 C CA . LYS A 31 ? 0.2929 0.3067 0.1131 0.0067 0.0627 0.0066 112 LYS A CA 255 C C . LYS A 31 ? 0.3043 0.3173 0.1326 0.0044 0.0570 0.0042 112 LYS A C 256 O O . LYS A 31 ? 0.2894 0.3020 0.1180 0.0037 0.0559 -0.0001 112 LYS A O 257 C CB . LYS A 31 ? 0.3191 0.3333 0.1297 0.0082 0.0641 0.0020 112 LYS A CB 258 C CG . LYS A 31 ? 0.3525 0.3676 0.1544 0.0108 0.0708 0.0036 112 LYS A CG 259 C CD . LYS A 31 ? 0.4170 0.4329 0.2079 0.0125 0.0712 -0.0014 112 LYS A CD 260 C CE . LYS A 31 ? 0.4342 0.4514 0.2144 0.0156 0.0777 0.0005 112 LYS A CE 261 N NZ . LYS A 31 ? 0.4822 0.5002 0.2513 0.0176 0.0782 -0.0054 112 LYS A NZ 262 N N . ASP A 32 ? 0.2835 0.2966 0.1181 0.0034 0.0537 0.0072 113 ASP A N 263 C CA . ASP A 32 ? 0.2813 0.2940 0.1231 0.0015 0.0488 0.0053 113 ASP A CA 264 C C . ASP A 32 ? 0.2532 0.2650 0.1026 0.0006 0.0502 0.0060 113 ASP A C 265 O O . ASP A 32 ? 0.2772 0.2886 0.1314 -0.0007 0.0473 0.0040 113 ASP A O 266 C CB . ASP A 32 ? 0.2740 0.2875 0.1183 0.0010 0.0442 0.0073 113 ASP A CB 267 C CG . ASP A 32 ? 0.3054 0.3199 0.1432 0.0017 0.0419 0.0063 113 ASP A CG 268 O OD1 . ASP A 32 ? 0.3428 0.3575 0.1791 0.0013 0.0396 0.0025 113 ASP A OD1 269 O OD2 . ASP A 32 ? 0.3091 0.3240 0.1432 0.0028 0.0424 0.0094 113 ASP A OD2 270 N N . VAL A 33 ? 0.2235 0.2353 0.0741 0.0014 0.0548 0.0092 114 VAL A N 271 C CA . VAL A 33 ? 0.2320 0.2433 0.0904 0.0006 0.0558 0.0109 114 VAL A CA 272 C C . VAL A 33 ? 0.2432 0.2538 0.1030 0.0008 0.0601 0.0090 114 VAL A C 273 O O . VAL A 33 ? 0.2759 0.2866 0.1309 0.0020 0.0651 0.0081 114 VAL A O 274 C CB . VAL A 33 ? 0.2455 0.2576 0.1065 0.0011 0.0583 0.0160 114 VAL A CB 275 C CG1 . VAL A 33 ? 0.2091 0.2211 0.0783 0.0004 0.0596 0.0178 114 VAL A CG1 276 C CG2 . VAL A 33 ? 0.2255 0.2382 0.0862 0.0009 0.0537 0.0177 114 VAL A CG2 277 N N . ILE A 34 ? 0.1894 0.1995 0.0555 -0.0003 0.0585 0.0083 115 ILE A N 278 C CA . ILE A 34 ? 0.2010 0.2103 0.0696 -0.0002 0.0623 0.0066 115 ILE A CA 279 C C . ILE A 34 ? 0.1944 0.2045 0.0666 0.0006 0.0685 0.0098 115 ILE A C 280 O O . ILE A 34 ? 0.2184 0.2292 0.0952 0.0004 0.0682 0.0136 115 ILE A O 281 C CB . ILE A 34 ? 0.1747 0.1834 0.0489 -0.0015 0.0586 0.0058 115 ILE A CB 282 C CG1 . ILE A 34 ? 0.1942 0.2026 0.0657 -0.0024 0.0533 0.0029 115 ILE A CG1 283 C CG2 . ILE A 34 ? 0.1842 0.1923 0.0618 -0.0013 0.0628 0.0045 115 ILE A CG2 284 C CD1 . ILE A 34 ? 0.1800 0.1882 0.0563 -0.0034 0.0492 0.0030 115 ILE A CD1 285 N N . VAL A 35 ? 0.1939 0.2039 0.0645 0.0016 0.0745 0.0081 116 VAL A N 286 C CA . VAL A 35 ? 0.2410 0.2522 0.1167 0.0025 0.0814 0.0110 116 VAL A CA 287 C C . VAL A 35 ? 0.1993 0.2107 0.0849 0.0015 0.0811 0.0123 116 VAL A C 288 O O . VAL A 35 ? 0.1935 0.2039 0.0805 0.0009 0.0791 0.0094 116 VAL A O 289 C CB . VAL A 35 ? 0.2288 0.2402 0.1008 0.0039 0.0880 0.0080 116 VAL A CB 290 C CG1 . VAL A 35 ? 0.2391 0.2522 0.1188 0.0047 0.0957 0.0110 116 VAL A CG1 291 C CG2 . VAL A 35 ? 0.2974 0.3090 0.1585 0.0052 0.0886 0.0068 116 VAL A CG2 292 N N . THR A 36 ? 0.2118 0.2248 0.1045 0.0014 0.0832 0.0169 117 THR A N 293 C CA . THR A 36 ? 0.2024 0.2163 0.1050 0.0005 0.0829 0.0187 117 THR A CA 294 C C . THR A 36 ? 0.2238 0.2403 0.1362 0.0008 0.0903 0.0226 117 THR A C 295 O O . THR A 36 ? 0.2399 0.2575 0.1510 0.0018 0.0956 0.0243 117 THR A O 296 C CB . THR A 36 ? 0.1640 0.1779 0.0680 -0.0007 0.0756 0.0208 117 THR A CB 297 O OG1 . THR A 36 ? 0.2058 0.2207 0.1098 -0.0007 0.0761 0.0244 117 THR A OG1 298 C CG2 . THR A 36 ? 0.1810 0.1930 0.0777 -0.0011 0.0686 0.0172 117 THR A CG2 299 N N . ARG A 37 ? 0.2003 0.2170 0.1252 0.0004 0.0885 0.0237 118 ARG A N 300 C CA . ARG A 37 ? 0.1854 0.2034 0.1251 0.0005 0.0904 0.0276 118 ARG A CA 301 C C . ARG A 37 ? 0.1914 0.2085 0.1424 0.0000 0.0840 0.0279 118 ARG A C 302 O O . ARG A 37 ? 0.1813 0.1970 0.1276 -0.0004 0.0791 0.0254 118 ARG A O 303 C CB . ARG A 37 ? 0.2120 0.2313 0.1574 0.0018 0.0992 0.0276 118 ARG A CB 304 C CG . ARG A 37 ? 0.2169 0.2382 0.1612 0.0024 0.1055 0.0314 118 ARG A CG 305 C CD . ARG A 37 ? 0.1953 0.2186 0.1545 0.0032 0.1124 0.0338 118 ARG A CD 306 N NE . ARG A 37 ? 0.1874 0.2110 0.1639 0.0023 0.1081 0.0369 118 ARG A NE 307 C CZ . ARG A 37 ? 0.2191 0.2439 0.2121 0.0028 0.1109 0.0380 118 ARG A CZ 308 N NH1 . ARG A 37 ? 0.2165 0.2424 0.2112 0.0042 0.1185 0.0362 118 ARG A NH1 309 N NH2 . ARG A 37 ? 0.1946 0.2196 0.2026 0.0019 0.1058 0.0405 118 ARG A NH2 310 N N . GLU A 38 ? 0.1908 0.2091 0.1568 0.0000 0.0840 0.0310 119 GLU A N 311 C CA . GLU A 38 ? 0.1805 0.1982 0.1580 -0.0003 0.0775 0.0315 119 GLU A CA 312 C C . GLU A 38 ? 0.1676 0.1843 0.1378 -0.0010 0.0690 0.0309 119 GLU A C 313 O O . GLU A 38 ? 0.1650 0.1805 0.1339 -0.0009 0.0644 0.0291 119 GLU A O 314 C CB . GLU A 38 ? 0.1824 0.1994 0.1649 0.0005 0.0786 0.0292 119 GLU A CB 315 C CG . GLU A 38 ? 0.1993 0.2177 0.1919 0.0014 0.0866 0.0297 119 GLU A CG 316 C CD . GLU A 38 ? 0.2100 0.2285 0.1913 0.0021 0.0942 0.0272 119 GLU A CD 317 O OE1 . GLU A 38 ? 0.2148 0.2319 0.1825 0.0019 0.0928 0.0240 119 GLU A OE1 318 O OE2 . GLU A 38 ? 0.2355 0.2557 0.2217 0.0030 0.1018 0.0282 119 GLU A OE2 319 N N . PRO A 39 ? 0.1807 0.1977 0.1460 -0.0015 0.0672 0.0324 120 PRO A N 320 C CA . PRO A 39 ? 0.1657 0.1819 0.1240 -0.0020 0.0595 0.0314 120 PRO A CA 321 C C . PRO A 39 ? 0.1362 0.1526 0.1066 -0.0018 0.0528 0.0326 120 PRO A C 322 O O . PRO A 39 ? 0.1534 0.1706 0.1382 -0.0016 0.0540 0.0345 120 PRO A O 323 C CB . PRO A 39 ? 0.1599 0.1766 0.1122 -0.0024 0.0604 0.0331 120 PRO A CB 324 C CG . PRO A 39 ? 0.1658 0.1838 0.1301 -0.0023 0.0659 0.0366 120 PRO A CG 325 C CD . PRO A 39 ? 0.1802 0.1985 0.1481 -0.0016 0.0719 0.0355 120 PRO A CD 326 N N . TYR A 40 ? 0.1407 0.1564 0.1052 -0.0018 0.0456 0.0312 121 TYR A N 327 C CA . TYR A 40 ? 0.1250 0.1411 0.0988 -0.0015 0.0383 0.0318 121 TYR A CA 328 C C . TYR A 40 ? 0.1356 0.1513 0.0988 -0.0014 0.0318 0.0300 121 TYR A C 329 O O . TYR A 40 ? 0.1528 0.1681 0.1028 -0.0017 0.0333 0.0286 121 TYR A O 330 C CB . TYR A 40 ? 0.1360 0.1520 0.1199 -0.0007 0.0361 0.0318 121 TYR A CB 331 C CG . TYR A 40 ? 0.1426 0.1576 0.1188 -0.0003 0.0357 0.0301 121 TYR A CG 332 C CD1 . TYR A 40 ? 0.1177 0.1321 0.0921 -0.0004 0.0425 0.0295 121 TYR A CD1 333 C CD2 . TYR A 40 ? 0.1347 0.1493 0.1065 0.0004 0.0287 0.0293 121 TYR A CD2 334 C CE1 . TYR A 40 ? 0.1457 0.1590 0.1153 -0.0001 0.0421 0.0282 121 TYR A CE1 335 C CE2 . TYR A 40 ? 0.1144 0.1280 0.0803 0.0007 0.0287 0.0285 121 TYR A CE2 336 C CZ . TYR A 40 ? 0.1554 0.1682 0.1209 0.0003 0.0354 0.0280 121 TYR A CZ 337 O OH . TYR A 40 ? 0.1529 0.1646 0.1147 0.0006 0.0356 0.0273 121 TYR A OH 338 N N . VAL A 41 ? 0.1187 0.1347 0.0880 -0.0007 0.0245 0.0297 122 VAL A N 339 C CA . VAL A 41 ? 0.1425 0.1585 0.1023 -0.0003 0.0182 0.0277 122 VAL A CA 340 C C . VAL A 41 ? 0.1525 0.1686 0.1143 0.0011 0.0115 0.0267 122 VAL A C 341 O O . VAL A 41 ? 0.1481 0.1644 0.1224 0.0017 0.0094 0.0277 122 VAL A O 342 C CB . VAL A 41 ? 0.1635 0.1798 0.1276 -0.0004 0.0151 0.0279 122 VAL A CB 343 C CG1 . VAL A 41 ? 0.1555 0.1720 0.1112 0.0004 0.0079 0.0253 122 VAL A CG1 344 C CG2 . VAL A 41 ? 0.1606 0.1767 0.1213 -0.0015 0.0215 0.0295 122 VAL A CG2 345 N N . SER A 42 ? 0.1396 0.1557 0.0893 0.0016 0.0083 0.0250 123 SER A N 346 C CA . SER A 42 ? 0.1510 0.1674 0.1009 0.0032 0.0015 0.0244 123 SER A CA 347 C C . SER A 42 ? 0.1455 0.1624 0.0821 0.0039 -0.0023 0.0223 123 SER A C 348 O O . SER A 42 ? 0.1360 0.1528 0.0627 0.0030 0.0012 0.0216 123 SER A O 349 C CB . SER A 42 ? 0.1625 0.1783 0.1132 0.0035 0.0036 0.0257 123 SER A CB 350 O OG . SER A 42 ? 0.1604 0.1766 0.1134 0.0053 -0.0032 0.0258 123 SER A OG 351 N N . CYS A 43 ? 0.1436 0.1613 0.0802 0.0057 -0.0097 0.0210 124 CYS A N 352 C CA . CYS A 43 ? 0.1531 0.1718 0.0782 0.0066 -0.0135 0.0187 124 CYS A CA 353 C C . CYS A 43 ? 0.1899 0.2093 0.1074 0.0084 -0.0173 0.0186 124 CYS A C 354 O O . CYS A 43 ? 0.1793 0.1986 0.1028 0.0095 -0.0202 0.0199 124 CYS A O 355 C CB . CYS A 43 ? 0.1771 0.1962 0.1078 0.0074 -0.0193 0.0165 124 CYS A CB 356 S SG . CYS A 43 ? 0.1911 0.2094 0.1347 0.0056 -0.0155 0.0177 124 CYS A SG 357 N N . ASP A 44 ? 0.1811 0.2013 0.0856 0.0088 -0.0172 0.0175 125 ASP A N 358 C CA . ASP A 44 ? 0.1689 0.1903 0.0652 0.0108 -0.0211 0.0176 125 ASP A CA 359 C C . ASP A 44 ? 0.2199 0.2429 0.1112 0.0128 -0.0275 0.0142 125 ASP A C 360 O O . ASP A 44 ? 0.2572 0.2801 0.1551 0.0129 -0.0303 0.0121 125 ASP A O 361 C CB . ASP A 44 ? 0.2043 0.2257 0.0905 0.0100 -0.0161 0.0191 125 ASP A CB 362 C CG . ASP A 44 ? 0.2289 0.2506 0.1123 0.0084 -0.0117 0.0170 125 ASP A CG 363 O OD1 . ASP A 44 ? 0.2170 0.2397 0.1002 0.0091 -0.0143 0.0141 125 ASP A OD1 364 O OD2 . ASP A 44 ? 0.2142 0.2351 0.0987 0.0067 -0.0060 0.0177 125 ASP A OD2 365 N N . ASN A 45 ? 0.2266 0.2512 0.1065 0.0146 -0.0295 0.0138 126 ASN A N 366 C CA . ASN A 45 ? 0.2673 0.2934 0.1447 0.0169 -0.0347 0.0098 126 ASN A CA 367 C C . ASN A 45 ? 0.2973 0.3235 0.1757 0.0158 -0.0320 0.0068 126 ASN A C 368 O O . ASN A 45 ? 0.3860 0.4129 0.2647 0.0173 -0.0368 0.0033 126 ASN A O 369 C CB . ASN A 45 ? 0.2834 0.3111 0.1544 0.0191 -0.0350 0.0099 126 ASN A CB 370 C CG . ASN A 45 ? 0.2974 0.3253 0.1669 0.0210 -0.0395 0.0127 126 ASN A CG 371 O OD1 . ASN A 45 ? 0.3338 0.3622 0.1989 0.0216 -0.0372 0.0154 126 ASN A OD1 372 N ND2 . ASN A 45 ? 0.3109 0.3385 0.1866 0.0219 -0.0460 0.0122 126 ASN A ND2 373 N N . ASP A 46 ? 0.2608 0.2863 0.1402 0.0134 -0.0250 0.0080 127 ASP A N 374 C CA . ASP A 46 ? 0.3068 0.3328 0.1868 0.0126 -0.0224 0.0056 127 ASP A CA 375 C C . ASP A 46 ? 0.3163 0.3407 0.2003 0.0102 -0.0193 0.0063 127 ASP A C 376 O O . ASP A 46 ? 0.3474 0.3719 0.2323 0.0099 -0.0190 0.0043 127 ASP A O 377 C CB . ASP A 46 ? 0.3527 0.3800 0.2305 0.0124 -0.0178 0.0059 127 ASP A CB 378 C CG . ASP A 46 ? 0.4160 0.4454 0.2887 0.0151 -0.0205 0.0051 127 ASP A CG 379 O OD1 . ASP A 46 ? 0.5022 0.5321 0.3727 0.0175 -0.0262 0.0030 127 ASP A OD1 380 O OD2 . ASP A 46 ? 0.4524 0.4830 0.3229 0.0150 -0.0173 0.0066 127 ASP A OD2 381 N N . ASN A 47 ? 0.2515 0.2745 0.1374 0.0087 -0.0169 0.0092 128 ASN A N 382 C CA . ASN A 47 ? 0.2297 0.2513 0.1182 0.0065 -0.0130 0.0104 128 ASN A CA 383 C C . ASN A 47 ? 0.2081 0.2284 0.1034 0.0058 -0.0119 0.0132 128 ASN A C 384 O O . ASN A 47 ? 0.1807 0.2008 0.0783 0.0063 -0.0121 0.0147 128 ASN A O 385 C CB . ASN A 47 ? 0.2175 0.2390 0.1065 0.0049 -0.0065 0.0106 128 ASN A CB 386 C CG . ASN A 47 ? 0.2831 0.3061 0.1713 0.0053 -0.0066 0.0081 128 ASN A CG 387 O OD1 . ASN A 47 ? 0.3158 0.3388 0.2047 0.0052 -0.0073 0.0067 128 ASN A OD1 388 N ND2 . ASN A 47 ? 0.2801 0.3042 0.1666 0.0058 -0.0059 0.0079 128 ASN A ND2 389 N N . CYS A 48 ? 0.1953 0.2147 0.0981 0.0046 -0.0099 0.0139 129 CYS A N 390 C CA . CYS A 48 ? 0.1685 0.1868 0.0812 0.0035 -0.0058 0.0165 129 CYS A CA 391 C C . CYS A 48 ? 0.1525 0.1702 0.0593 0.0018 0.0015 0.0178 129 CYS A C 392 O O . CYS A 48 ? 0.1626 0.1805 0.0611 0.0013 0.0030 0.0168 129 CYS A O 393 C CB . CYS A 48 ? 0.1630 0.1809 0.0877 0.0031 -0.0071 0.0171 129 CYS A CB 394 S SG . CYS A 48 ? 0.2316 0.2500 0.1669 0.0050 -0.0159 0.0154 129 CYS A SG 395 N N . TRP A 49 ? 0.1319 0.1489 0.0433 0.0012 0.0058 0.0197 130 TRP A N 396 C CA . TRP A 49 ? 0.1189 0.1353 0.0249 -0.0001 0.0125 0.0202 130 TRP A CA 397 C C . TRP A 49 ? 0.1342 0.1500 0.0490 -0.0009 0.0178 0.0222 130 TRP A C 398 O O . TRP A 49 ? 0.1551 0.1707 0.0811 -0.0005 0.0168 0.0235 130 TRP A O 399 C CB . TRP A 49 ? 0.1531 0.1693 0.0546 0.0001 0.0134 0.0201 130 TRP A CB 400 C CG . TRP A 49 ? 0.1499 0.1670 0.0436 0.0009 0.0094 0.0185 130 TRP A CG 401 C CD1 . TRP A 49 ? 0.1649 0.1828 0.0570 0.0024 0.0041 0.0186 130 TRP A CD1 402 C CD2 . TRP A 49 ? 0.1540 0.1718 0.0471 0.0005 0.0099 0.0158 130 TRP A CD2 403 N NE1 . TRP A 49 ? 0.1935 0.2126 0.0836 0.0029 0.0025 0.0163 130 TRP A NE1 404 C CE2 . TRP A 49 ? 0.1833 0.2023 0.0745 0.0016 0.0059 0.0147 130 TRP A CE2 405 C CE3 . TRP A 49 ? 0.1516 0.1690 0.0453 -0.0007 0.0132 0.0144 130 TRP A CE3 406 C CZ2 . TRP A 49 ? 0.2055 0.2256 0.0961 0.0015 0.0059 0.0127 130 TRP A CZ2 407 C CZ3 . TRP A 49 ? 0.1810 0.1992 0.0739 -0.0008 0.0121 0.0123 130 TRP A CZ3 408 C CH2 . TRP A 49 ? 0.1979 0.2175 0.0896 0.0002 0.0089 0.0116 130 TRP A CH2 409 N N . SER A 50 ? 0.1257 0.1412 0.0354 -0.0018 0.0234 0.0225 131 SER A N 410 C CA . SER A 50 ? 0.1264 0.1414 0.0420 -0.0023 0.0297 0.0241 131 SER A CA 411 C C . SER A 50 ? 0.1416 0.1561 0.0554 -0.0024 0.0329 0.0233 131 SER A C 412 O O . SER A 50 ? 0.1297 0.1439 0.0339 -0.0026 0.0328 0.0215 131 SER A O 413 C CB . SER A 50 ? 0.1398 0.1549 0.0502 -0.0030 0.0343 0.0247 131 SER A CB 414 O OG . SER A 50 ? 0.1709 0.1863 0.0859 -0.0030 0.0319 0.0262 131 SER A OG 415 N N . PHE A 51 ? 0.1447 0.1590 0.0687 -0.0022 0.0358 0.0246 132 PHE A N 416 C CA . PHE A 51 ? 0.1486 0.1621 0.0727 -0.0022 0.0397 0.0238 132 PHE A CA 417 C C . PHE A 51 ? 0.1478 0.1614 0.0765 -0.0023 0.0469 0.0246 132 PHE A C 418 O O . PHE A 51 ? 0.1708 0.1852 0.1069 -0.0023 0.0481 0.0266 132 PHE A O 419 C CB . PHE A 51 ? 0.1456 0.1588 0.0787 -0.0015 0.0364 0.0247 132 PHE A CB 420 C CG . PHE A 51 ? 0.1253 0.1385 0.0528 -0.0010 0.0300 0.0241 132 PHE A CG 421 C CD1 . PHE A 51 ? 0.1350 0.1490 0.0643 -0.0003 0.0238 0.0245 132 PHE A CD1 422 C CD2 . PHE A 51 ? 0.1489 0.1613 0.0701 -0.0011 0.0304 0.0233 132 PHE A CD2 423 C CE1 . PHE A 51 ? 0.1568 0.1711 0.0800 0.0005 0.0183 0.0239 132 PHE A CE1 424 C CE2 . PHE A 51 ? 0.1349 0.1477 0.0508 -0.0005 0.0252 0.0233 132 PHE A CE2 425 C CZ . PHE A 51 ? 0.1466 0.1604 0.0629 0.0004 0.0192 0.0237 132 PHE A CZ 426 N N . ALA A 52 ? 0.1349 0.1479 0.0596 -0.0024 0.0517 0.0228 133 ALA A N 427 C CA . ALA A 52 ? 0.1421 0.1554 0.0709 -0.0021 0.0588 0.0232 133 ALA A CA 428 C C . ALA A 52 ? 0.1628 0.1751 0.0894 -0.0019 0.0626 0.0205 133 ALA A C 429 O O . ALA A 52 ? 0.1666 0.1779 0.0864 -0.0022 0.0602 0.0184 133 ALA A O 430 C CB . ALA A 52 ? 0.1497 0.1637 0.0707 -0.0023 0.0621 0.0236 133 ALA A CB 431 N N . LEU A 53 ? 0.1450 0.1576 0.0782 -0.0013 0.0685 0.0204 134 LEU A N 432 C CA . LEU A 53 ? 0.1515 0.1632 0.0829 -0.0008 0.0727 0.0173 134 LEU A CA 433 C C . LEU A 53 ? 0.1752 0.1872 0.0943 -0.0007 0.0771 0.0149 134 LEU A C 434 O O . LEU A 53 ? 0.2050 0.2183 0.1239 -0.0001 0.0821 0.0160 134 LEU A O 435 C CB . LEU A 53 ? 0.1635 0.1755 0.1083 0.0001 0.0772 0.0179 134 LEU A CB 436 C CG . LEU A 53 ? 0.1856 0.1974 0.1436 0.0002 0.0725 0.0202 134 LEU A CG 437 C CD1 . LEU A 53 ? 0.1798 0.1922 0.1515 0.0012 0.0774 0.0207 134 LEU A CD1 438 C CD2 . LEU A 53 ? 0.1524 0.1623 0.1079 0.0000 0.0677 0.0189 134 LEU A CD2 439 N N . ALA A 54 ? 0.1754 0.1863 0.0843 -0.0012 0.0751 0.0119 135 ALA A N 440 C CA . ALA A 54 ? 0.1879 0.1976 0.0883 -0.0007 0.0753 0.0088 135 ALA A CA 441 C C . ALA A 54 ? 0.2134 0.2230 0.1142 0.0003 0.0822 0.0057 135 ALA A C 442 O O . ALA A 54 ? 0.2008 0.2110 0.1090 0.0006 0.0857 0.0054 135 ALA A O 443 C CB . ALA A 54 ? 0.1830 0.1910 0.0774 -0.0016 0.0688 0.0063 135 ALA A CB 444 N N . GLN A 55 ? 0.1903 0.1994 0.0834 0.0011 0.0839 0.0032 136 GLN A N 445 C CA . GLN A 55 ? 0.2080 0.2172 0.1001 0.0024 0.0903 -0.0006 136 GLN A CA 446 C C . GLN A 55 ? 0.2295 0.2369 0.1137 0.0023 0.0881 -0.0059 136 GLN A C 447 O O . GLN A 55 ? 0.2353 0.2427 0.1159 0.0036 0.0925 -0.0099 136 GLN A O 448 C CB . GLN A 55 ? 0.2202 0.2310 0.1098 0.0038 0.0959 0.0011 136 GLN A CB 449 C CG . GLN A 55 ? 0.2170 0.2301 0.1167 0.0040 0.1002 0.0059 136 GLN A CG 450 C CD . GLN A 55 ? 0.2338 0.2486 0.1415 0.0053 0.1083 0.0045 136 GLN A CD 451 O OE1 . GLN A 55 ? 0.2243 0.2379 0.1328 0.0058 0.1091 -0.0001 136 GLN A OE1 452 N NE2 . GLN A 55 ? 0.2744 0.2914 0.1906 0.0059 0.1130 0.0084 136 GLN A NE2 453 N N . GLY A 56 ? 0.2226 0.2288 0.1047 0.0008 0.0812 -0.0062 137 GLY A N 454 C CA . GLY A 56 ? 0.2217 0.2266 0.0982 0.0005 0.0791 -0.0110 137 GLY A CA 455 C C . GLY A 56 ? 0.2263 0.2316 0.0936 0.0014 0.0795 -0.0134 137 GLY A C 456 O O . GLY A 56 ? 0.2472 0.2521 0.1100 0.0019 0.0806 -0.0185 137 GLY A O 457 N N . ALA A 57 ? 0.2144 0.2208 0.0790 0.0018 0.0787 -0.0097 138 ALA A N 458 C CA . ALA A 57 ? 0.2521 0.2593 0.1075 0.0029 0.0792 -0.0110 138 ALA A CA 459 C C . ALA A 57 ? 0.2292 0.2372 0.0831 0.0026 0.0755 -0.0065 138 ALA A C 460 O O . ALA A 57 ? 0.2464 0.2546 0.1064 0.0020 0.0746 -0.0022 138 ALA A O 461 C CB . ALA A 57 ? 0.2649 0.2730 0.1175 0.0051 0.0870 -0.0119 138 ALA A CB 462 N N . LEU A 58 ? 0.2165 0.2250 0.0624 0.0032 0.0734 -0.0075 139 LEU A N 463 C CA . LEU A 58 ? 0.2253 0.2347 0.0694 0.0032 0.0706 -0.0035 139 LEU A CA 464 C C . LEU A 58 ? 0.2846 0.2951 0.1245 0.0052 0.0764 -0.0005 139 LEU A C 465 O O . LEU A 58 ? 0.3062 0.3172 0.1396 0.0068 0.0811 -0.0029 139 LEU A O 466 C CB . LEU A 58 ? 0.2632 0.2729 0.1013 0.0030 0.0655 -0.0058 139 LEU A CB 467 C CG . LEU A 58 ? 0.2297 0.2388 0.0724 0.0010 0.0597 -0.0078 139 LEU A CG 468 C CD1 . LEU A 58 ? 0.2915 0.3016 0.1288 0.0010 0.0555 -0.0097 139 LEU A CD1 469 C CD2 . LEU A 58 ? 0.2376 0.2467 0.0883 -0.0002 0.0567 -0.0040 139 LEU A CD2 470 N N . LEU A 59 ? 0.2607 0.2719 0.1041 0.0050 0.0762 0.0047 140 LEU A N 471 C CA . LEU A 59 ? 0.2750 0.2874 0.1159 0.0066 0.0820 0.0089 140 LEU A CA 472 C C . LEU A 59 ? 0.3171 0.3304 0.1462 0.0085 0.0830 0.0080 140 LEU A C 473 O O . LEU A 59 ? 0.3097 0.3230 0.1346 0.0082 0.0776 0.0074 140 LEU A O 474 C CB . LEU A 59 ? 0.2864 0.2994 0.1335 0.0058 0.0802 0.0145 140 LEU A CB 475 C CG . LEU A 59 ? 0.3458 0.3602 0.1943 0.0068 0.0862 0.0204 140 LEU A CG 476 C CD1 . LEU A 59 ? 0.3224 0.3378 0.1603 0.0087 0.0882 0.0221 140 LEU A CD1 477 C CD2 . LEU A 59 ? 0.3535 0.3687 0.2075 0.0074 0.0936 0.0212 140 LEU A CD2 478 N N . GLY A 60 ? 0.3521 0.3664 0.1757 0.0105 0.0900 0.0078 141 GLY A N 479 C CA . GLY A 60 ? 0.3487 0.3642 0.1598 0.0128 0.0917 0.0073 141 GLY A CA 480 C C . GLY A 60 ? 0.3768 0.3920 0.1798 0.0136 0.0902 0.0003 141 GLY A C 481 O O . GLY A 60 ? 0.3954 0.4118 0.1870 0.0157 0.0913 -0.0008 141 GLY A O 482 N N . THR A 61 ? 0.3560 0.3698 0.1648 0.0120 0.0877 -0.0043 142 THR A N 483 C CA . THR A 61 ? 0.3421 0.3557 0.1450 0.0126 0.0870 -0.0114 142 THR A CA 484 C C . THR A 61 ? 0.3593 0.3734 0.1612 0.0144 0.0947 -0.0142 142 THR A C 485 O O . THR A 61 ? 0.3493 0.3637 0.1572 0.0146 0.1000 -0.0106 142 THR A O 486 C CB . THR A 61 ? 0.2886 0.3007 0.0984 0.0101 0.0809 -0.0150 142 THR A CB 487 O OG1 . THR A 61 ? 0.3360 0.3469 0.1565 0.0086 0.0826 -0.0139 142 THR A OG1 488 C CG2 . THR A 61 ? 0.3160 0.3280 0.1272 0.0085 0.0737 -0.0127 142 THR A CG2 489 N N . LYS A 62 ? 0.3620 0.3762 0.1569 0.0157 0.0954 -0.0210 143 LYS A N 490 C CA . LYS A 62 ? 0.3616 0.3764 0.1551 0.0177 0.1029 -0.0247 143 LYS A CA 491 C C . LYS A 62 ? 0.3898 0.4033 0.1966 0.0161 0.1051 -0.0250 143 LYS A C 492 O O . LYS A 62 ? 0.3562 0.3705 0.1661 0.0175 0.1124 -0.0247 143 LYS A O 493 C CB . LYS A 62 ? 0.4324 0.4475 0.2163 0.0195 0.1023 -0.0330 143 LYS A CB 494 C CG . LYS A 62 ? 0.4307 0.4476 0.2001 0.0219 0.1012 -0.0331 143 LYS A CG 495 C CD . LYS A 62 ? 0.5019 0.5191 0.2625 0.0236 0.0995 -0.0422 143 LYS A CD 496 C CE . LYS A 62 ? 0.5619 0.5812 0.3067 0.0267 0.0989 -0.0426 143 LYS A CE 497 N NZ . LYS A 62 ? 0.5847 0.6041 0.3286 0.0252 0.0920 -0.0381 143 LYS A NZ 498 N N . HIS A 63 ? 0.3224 0.3341 0.1370 0.0134 0.0991 -0.0254 144 HIS A N 499 C CA . HIS A 63 ? 0.3077 0.3182 0.1344 0.0119 0.1006 -0.0253 144 HIS A CA 500 C C . HIS A 63 ? 0.3088 0.3200 0.1437 0.0114 0.1033 -0.0182 144 HIS A C 501 O O . HIS A 63 ? 0.3119 0.3227 0.1566 0.0108 0.1060 -0.0177 144 HIS A O 502 C CB . HIS A 63 ? 0.2999 0.3086 0.1320 0.0093 0.0937 -0.0271 144 HIS A CB 503 C CG . HIS A 63 ? 0.3042 0.3121 0.1331 0.0096 0.0929 -0.0348 144 HIS A CG 504 N ND1 . HIS A 63 ? 0.3128 0.3209 0.1338 0.0096 0.0881 -0.0382 144 HIS A ND1 505 C CD2 . HIS A 63 ? 0.3086 0.3156 0.1419 0.0101 0.0963 -0.0402 144 HIS A CD2 506 C CE1 . HIS A 63 ? 0.3198 0.3271 0.1404 0.0100 0.0884 -0.0454 144 HIS A CE1 507 N NE2 . HIS A 63 ? 0.3083 0.3148 0.1363 0.0103 0.0934 -0.0469 144 HIS A NE2 508 N N . SER A 64 ? 0.2981 0.3103 0.1294 0.0117 0.1026 -0.0128 145 SER A N 509 C CA . SER A 64 ? 0.3130 0.3260 0.1525 0.0112 0.1052 -0.0062 145 SER A CA 510 C C . SER A 64 ? 0.3102 0.3252 0.1497 0.0135 0.1149 -0.0048 145 SER A C 511 O O . SER A 64 ? 0.3176 0.3337 0.1666 0.0132 0.1188 -0.0003 145 SER A O 512 C CB . SER A 64 ? 0.3010 0.3142 0.1384 0.0105 0.1007 -0.0009 145 SER A CB 513 O OG . SER A 64 ? 0.3367 0.3513 0.1634 0.0125 0.1031 0.0003 145 SER A OG 514 N N . ASN A 65 ? 0.3315 0.3473 0.1609 0.0159 0.1188 -0.0090 146 ASN A N 515 C CA . ASN A 65 ? 0.3403 0.3585 0.1685 0.0185 0.1286 -0.0085 146 ASN A CA 516 C C . ASN A 65 ? 0.3174 0.3359 0.1583 0.0183 0.1334 -0.0102 146 ASN A C 517 O O . ASN A 65 ? 0.3174 0.3345 0.1606 0.0180 0.1320 -0.0163 146 ASN A O 518 C CB . ASN A 65 ? 0.3702 0.3891 0.1842 0.0213 0.1308 -0.0144 146 ASN A CB 519 C CG . ASN A 65 ? 0.4284 0.4501 0.2384 0.0246 0.1412 -0.0136 146 ASN A CG 520 O OD1 . ASN A 65 ? 0.3731 0.3962 0.1936 0.0248 0.1477 -0.0117 146 ASN A OD1 521 N ND2 . ASN A 65 ? 0.4795 0.5027 0.2744 0.0273 0.1428 -0.0152 146 ASN A ND2 522 N N . GLY A 66 ? 0.3619 0.3823 0.2121 0.0185 0.1392 -0.0047 147 GLY A N 523 C CA . GLY A 66 ? 0.3407 0.3622 0.2042 0.0186 0.1447 -0.0059 147 GLY A CA 524 C C . GLY A 66 ? 0.3285 0.3490 0.2056 0.0159 0.1400 -0.0035 147 GLY A C 525 O O . GLY A 66 ? 0.2952 0.3165 0.1842 0.0159 0.1432 -0.0051 147 GLY A O 526 N N . THR A 67 ? 0.3296 0.3487 0.2054 0.0138 0.1325 0.0003 148 THR A N 527 C CA . THR A 67 ? 0.3001 0.3184 0.1871 0.0114 0.1274 0.0027 148 THR A CA 528 C C . THR A 67 ? 0.3216 0.3427 0.2226 0.0110 0.1320 0.0085 148 THR A C 529 O O . THR A 67 ? 0.2810 0.3021 0.1912 0.0092 0.1278 0.0111 148 THR A O 530 C CB . THR A 67 ? 0.2761 0.2923 0.1575 0.0095 0.1178 0.0043 148 THR A CB 531 O OG1 . THR A 67 ? 0.2836 0.3004 0.1569 0.0102 0.1180 0.0077 148 THR A OG1 532 C CG2 . THR A 67 ? 0.2712 0.2850 0.1454 0.0090 0.1122 -0.0017 148 THR A CG2 533 N N . ILE A 68 ? 0.2811 0.3050 0.1844 0.0128 0.1407 0.0107 149 ILE A N 534 C CA . ILE A 68 ? 0.3148 0.3415 0.2351 0.0125 0.1455 0.0153 149 ILE A CA 535 C C . ILE A 68 ? 0.2485 0.2738 0.1826 0.0122 0.1435 0.0119 149 ILE A C 536 O O . ILE A 68 ? 0.2873 0.3127 0.2375 0.0112 0.1416 0.0154 149 ILE A O 537 C CB . ILE A 68 ? 0.3502 0.3803 0.2718 0.0147 0.1561 0.0177 149 ILE A CB 538 C CG1 . ILE A 68 ? 0.3710 0.4028 0.3130 0.0140 0.1584 0.0233 149 ILE A CG1 539 C CG2 . ILE A 68 ? 0.3744 0.4050 0.2919 0.0173 0.1623 0.0111 149 ILE A CG2 540 C CD1 . ILE A 68 ? 0.4042 0.4396 0.3494 0.0160 0.1692 0.0268 149 ILE A CD1 541 N N . LYS A 69 ? 0.2877 0.3114 0.2157 0.0132 0.1434 0.0052 150 LYS A N 542 C CA . LYS A 69 ? 0.2868 0.3088 0.2271 0.0132 0.1418 0.0018 150 LYS A CA 543 C C . LYS A 69 ? 0.2770 0.2969 0.2263 0.0108 0.1328 0.0043 150 LYS A C 544 O O . LYS A 69 ? 0.2753 0.2937 0.2157 0.0093 0.1263 0.0046 150 LYS A O 545 C CB . LYS A 69 ? 0.3232 0.3435 0.2541 0.0144 0.1424 -0.0060 150 LYS A CB 546 C CG . LYS A 69 ? 0.3115 0.3299 0.2553 0.0146 0.1413 -0.0097 150 LYS A CG 547 C CD . LYS A 69 ? 0.3897 0.4070 0.3257 0.0165 0.1443 -0.0178 150 LYS A CD 548 C CE . LYS A 69 ? 0.4465 0.4611 0.3947 0.0163 0.1417 -0.0216 150 LYS A CE 549 N NZ . LYS A 69 ? 0.4286 0.4440 0.3958 0.0168 0.1444 -0.0189 150 LYS A NZ 550 N N . ASP A 70 ? 0.2760 0.2960 0.2429 0.0107 0.1325 0.0061 151 ASP A N 551 C CA . ASP A 70 ? 0.2262 0.2449 0.2027 0.0088 0.1244 0.0094 151 ASP A CA 552 C C . ASP A 70 ? 0.2377 0.2532 0.2119 0.0080 0.1176 0.0062 151 ASP A C 553 O O . ASP A 70 ? 0.2341 0.2484 0.2060 0.0064 0.1102 0.0084 151 ASP A O 554 C CB . ASP A 70 ? 0.2690 0.2890 0.2654 0.0093 0.1260 0.0123 151 ASP A CB 555 C CG . ASP A 70 ? 0.2795 0.3023 0.2817 0.0090 0.1287 0.0178 151 ASP A CG 556 O OD1 . ASP A 70 ? 0.2424 0.2650 0.2393 0.0076 0.1239 0.0210 151 ASP A OD1 557 O OD2 . ASP A 70 ? 0.2789 0.3040 0.2919 0.0103 0.1356 0.0189 151 ASP A OD2 558 N N . ARG A 71 ? 0.2250 0.2392 0.2006 0.0091 0.1203 0.0013 152 ARG A N 559 C CA . ARG A 71 ? 0.2161 0.2273 0.1928 0.0083 0.1145 -0.0011 152 ARG A CA 560 C C . ARG A 71 ? 0.2665 0.2762 0.2323 0.0090 0.1164 -0.0074 152 ARG A C 561 O O . ARG A 71 ? 0.2538 0.2641 0.2201 0.0108 0.1229 -0.0116 152 ARG A O 562 C CB . ARG A 71 ? 0.2224 0.2329 0.2173 0.0089 0.1140 -0.0002 152 ARG A CB 563 C CG . ARG A 71 ? 0.2191 0.2313 0.2261 0.0084 0.1117 0.0057 152 ARG A CG 564 C CD . ARG A 71 ? 0.2390 0.2509 0.2646 0.0093 0.1117 0.0064 152 ARG A CD 565 N NE . ARG A 71 ? 0.2464 0.2595 0.2784 0.0113 0.1203 0.0031 152 ARG A NE 566 C CZ . ARG A 71 ? 0.3126 0.3289 0.3494 0.0122 0.1269 0.0047 152 ARG A CZ 567 N NH1 . ARG A 71 ? 0.2634 0.2809 0.3055 0.0143 0.1350 0.0013 152 ARG A NH1 568 N NH2 . ARG A 71 ? 0.2335 0.2518 0.2703 0.0112 0.1257 0.0096 152 ARG A NH2 569 N N . THR A 72 ? 0.2376 0.2455 0.1935 0.0075 0.1107 -0.0084 153 THR A N 570 C CA . THR A 72 ? 0.2552 0.2613 0.2021 0.0078 0.1110 -0.0145 153 THR A CA 571 C C . THR A 72 ? 0.2453 0.2489 0.1925 0.0060 0.1036 -0.0139 153 THR A C 572 O O . THR A 72 ? 0.2167 0.2204 0.1666 0.0047 0.0986 -0.0088 153 THR A O 573 C CB . THR A 72 ? 0.2636 0.2710 0.1934 0.0081 0.1127 -0.0166 153 THR A CB 574 O OG1 . THR A 72 ? 0.2114 0.2184 0.1331 0.0062 0.1064 -0.0139 153 THR A OG1 575 C CG2 . THR A 72 ? 0.2531 0.2636 0.1810 0.0094 0.1189 -0.0143 153 THR A CG2 576 N N . PRO A 73 ? 0.2312 0.2327 0.1759 0.0060 0.1030 -0.0190 154 PRO A N 577 C CA . PRO A 73 ? 0.2166 0.2158 0.1615 0.0042 0.0966 -0.0180 154 PRO A CA 578 C C . PRO A 73 ? 0.2230 0.2230 0.1544 0.0028 0.0926 -0.0166 154 PRO A C 579 O O . PRO A 73 ? 0.2033 0.2022 0.1343 0.0013 0.0874 -0.0149 154 PRO A O 580 C CB . PRO A 73 ? 0.2543 0.2512 0.2006 0.0048 0.0981 -0.0246 154 PRO A CB 581 C CG . PRO A 73 ? 0.2854 0.2831 0.2364 0.0071 0.1050 -0.0285 154 PRO A CG 582 C CD . PRO A 73 ? 0.2542 0.2552 0.1980 0.0078 0.1083 -0.0258 154 PRO A CD 583 N N . TYR A 74 ? 0.2254 0.2276 0.1464 0.0033 0.0952 -0.0171 155 TYR A N 584 C CA . TYR A 74 ? 0.2056 0.2085 0.1133 0.0023 0.0920 -0.0167 155 TYR A CA 585 C C . TYR A 74 ? 0.1885 0.1931 0.0957 0.0015 0.0894 -0.0106 155 TYR A C 586 O O . TYR A 74 ? 0.2127 0.2182 0.1100 0.0009 0.0869 -0.0096 155 TYR A O 587 C CB . TYR A 74 ? 0.2413 0.2454 0.1371 0.0036 0.0961 -0.0212 155 TYR A CB 588 C CG . TYR A 74 ? 0.2632 0.2661 0.1616 0.0050 0.0998 -0.0278 155 TYR A CG 589 C CD1 . TYR A 74 ? 0.2512 0.2515 0.1528 0.0042 0.0969 -0.0316 155 TYR A CD1 590 C CD2 . TYR A 74 ? 0.2996 0.3038 0.1984 0.0073 0.1065 -0.0302 155 TYR A CD2 591 C CE1 . TYR A 74 ? 0.2917 0.2906 0.1970 0.0056 0.1000 -0.0380 155 TYR A CE1 592 C CE2 . TYR A 74 ? 0.3065 0.3095 0.2080 0.0088 0.1099 -0.0368 155 TYR A CE2 593 C CZ . TYR A 74 ? 0.3164 0.3166 0.2213 0.0080 0.1064 -0.0408 155 TYR A CZ 594 O OH . TYR A 74 ? 0.3631 0.3620 0.2717 0.0096 0.1094 -0.0479 155 TYR A OH 595 N N . ARG A 75 ? 0.1991 0.2039 0.1180 0.0017 0.0895 -0.0067 156 ARG A N 596 C CA . ARG A 75 ? 0.1905 0.1967 0.1110 0.0010 0.0862 -0.0012 156 ARG A CA 597 C C . ARG A 75 ? 0.1986 0.2036 0.1222 -0.0002 0.0795 0.0013 156 ARG A C 598 O O . ARG A 75 ? 0.1714 0.1748 0.1033 -0.0002 0.0784 0.0011 156 ARG A O 599 C CB . ARG A 75 ? 0.2231 0.2306 0.1549 0.0020 0.0896 0.0017 156 ARG A CB 600 C CG . ARG A 75 ? 0.2097 0.2188 0.1382 0.0034 0.0969 0.0000 156 ARG A CG 601 C CD . ARG A 75 ? 0.1791 0.1903 0.1171 0.0038 0.0995 0.0044 156 ARG A CD 602 N NE . ARG A 75 ? 0.1998 0.2121 0.1330 0.0029 0.0964 0.0085 156 ARG A NE 603 C CZ . ARG A 75 ? 0.2008 0.2149 0.1412 0.0030 0.0981 0.0126 156 ARG A CZ 604 N NH1 . ARG A 75 ? 0.2049 0.2201 0.1574 0.0041 0.1030 0.0135 156 ARG A NH1 605 N NH2 . ARG A 75 ? 0.2069 0.2218 0.1432 0.0022 0.0949 0.0159 156 ARG A NH2 606 N N . SER A 76 ? 0.1893 0.1952 0.1058 -0.0011 0.0752 0.0036 157 SER A N 607 C CA . SER A 76 ? 0.1848 0.1901 0.1024 -0.0020 0.0690 0.0062 157 SER A CA 608 C C . SER A 76 ? 0.1485 0.1555 0.0672 -0.0021 0.0657 0.0102 157 SER A C 609 O O . SER A 76 ? 0.2019 0.2101 0.1158 -0.0020 0.0672 0.0106 157 SER A O 610 C CB . SER A 76 ? 0.1628 0.1678 0.0696 -0.0030 0.0663 0.0043 157 SER A CB 611 O OG . SER A 76 ? 0.2000 0.2033 0.1073 -0.0031 0.0680 0.0008 157 SER A OG 612 N N . LEU A 77 ? 0.1410 0.1477 0.0661 -0.0021 0.0610 0.0131 158 LEU A N 613 C CA . LEU A 77 ? 0.1285 0.1364 0.0530 -0.0022 0.0564 0.0160 158 LEU A CA 614 C C . LEU A 77 ? 0.1559 0.1643 0.0680 -0.0029 0.0535 0.0151 158 LEU A C 615 O O . LEU A 77 ? 0.1556 0.1632 0.0638 -0.0034 0.0516 0.0142 158 LEU A O 616 C CB . LEU A 77 ? 0.1490 0.1567 0.0824 -0.0016 0.0516 0.0188 158 LEU A CB 617 C CG . LEU A 77 ? 0.1463 0.1552 0.0786 -0.0015 0.0457 0.0211 158 LEU A CG 618 C CD1 . LEU A 77 ? 0.1302 0.1405 0.0667 -0.0014 0.0472 0.0220 158 LEU A CD1 619 C CD2 . LEU A 77 ? 0.1634 0.1720 0.1030 -0.0006 0.0406 0.0235 158 LEU A CD2 620 N N . ILE A 78 ? 0.1513 0.1610 0.0583 -0.0031 0.0534 0.0154 159 ILE A N 621 C CA . ILE A 78 ? 0.1636 0.1730 0.0644 -0.0034 0.0481 0.0140 159 ILE A CA 622 C C . ILE A 78 ? 0.1521 0.1629 0.0534 -0.0032 0.0437 0.0163 159 ILE A C 623 O O . ILE A 78 ? 0.1543 0.1660 0.0597 -0.0030 0.0453 0.0190 159 ILE A O 624 C CB . ILE A 78 ? 0.1548 0.1636 0.0515 -0.0035 0.0493 0.0112 159 ILE A CB 625 C CG1 . ILE A 78 ? 0.2002 0.2099 0.0980 -0.0031 0.0522 0.0129 159 ILE A CG1 626 C CG2 . ILE A 78 ? 0.1487 0.1561 0.0439 -0.0036 0.0534 0.0082 159 ILE A CG2 627 C CD1 . ILE A 78 ? 0.1873 0.1967 0.0799 -0.0030 0.0521 0.0111 159 ILE A CD1 628 N N . ARG A 79 ? 0.1297 0.1406 0.0279 -0.0033 0.0382 0.0152 160 ARG A N 629 C CA . ARG A 79 ? 0.1414 0.1536 0.0395 -0.0030 0.0336 0.0165 160 ARG A CA 630 C C . ARG A 79 ? 0.1399 0.1525 0.0356 -0.0032 0.0313 0.0144 160 ARG A C 631 O O . ARG A 79 ? 0.1208 0.1330 0.0145 -0.0037 0.0309 0.0121 160 ARG A O 632 C CB . ARG A 79 ? 0.1274 0.1402 0.0248 -0.0025 0.0292 0.0173 160 ARG A CB 633 C CG . ARG A 79 ? 0.1761 0.1902 0.0730 -0.0018 0.0244 0.0184 160 ARG A CG 634 C CD . ARG A 79 ? 0.1544 0.1692 0.0493 -0.0009 0.0197 0.0185 160 ARG A CD 635 N NE . ARG A 79 ? 0.1731 0.1886 0.0666 -0.0012 0.0182 0.0160 160 ARG A NE 636 C CZ . ARG A 79 ? 0.2552 0.2716 0.1469 -0.0005 0.0154 0.0160 160 ARG A CZ 637 N NH1 . ARG A 79 ? 0.2296 0.2462 0.1202 0.0006 0.0133 0.0182 160 ARG A NH1 638 N NH2 . ARG A 79 ? 0.2523 0.2697 0.1434 -0.0009 0.0148 0.0140 160 ARG A NH2 639 N N . PHE A 80 ? 0.1210 0.1345 0.0171 -0.0030 0.0298 0.0155 161 PHE A N 640 C CA . PHE A 80 ? 0.1460 0.1599 0.0401 -0.0032 0.0278 0.0139 161 PHE A CA 641 C C . PHE A 80 ? 0.1401 0.1552 0.0350 -0.0028 0.0242 0.0151 161 PHE A C 642 O O . PHE A 80 ? 0.1311 0.1463 0.0276 -0.0024 0.0240 0.0173 161 PHE A O 643 C CB . PHE A 80 ? 0.1375 0.1507 0.0301 -0.0034 0.0318 0.0137 161 PHE A CB 644 C CG . PHE A 80 ? 0.1544 0.1674 0.0490 -0.0032 0.0368 0.0163 161 PHE A CG 645 C CD1 . PHE A 80 ? 0.1650 0.1785 0.0600 -0.0031 0.0380 0.0186 161 PHE A CD1 646 C CD2 . PHE A 80 ? 0.1601 0.1726 0.0567 -0.0032 0.0408 0.0167 161 PHE A CD2 647 C CE1 . PHE A 80 ? 0.1829 0.1967 0.0810 -0.0031 0.0435 0.0216 161 PHE A CE1 648 C CE2 . PHE A 80 ? 0.1763 0.1891 0.0763 -0.0030 0.0464 0.0193 161 PHE A CE2 649 C CZ . PHE A 80 ? 0.1756 0.1892 0.0766 -0.0030 0.0479 0.0220 161 PHE A CZ 650 N N . PRO A 81 ? 0.1266 0.1424 0.0203 -0.0027 0.0212 0.0136 162 PRO A N 651 C CA . PRO A 81 ? 0.1103 0.1270 0.0044 -0.0022 0.0175 0.0142 162 PRO A CA 652 C C . PRO A 81 ? 0.1450 0.1612 0.0402 -0.0022 0.0194 0.0172 162 PRO A C 653 O O . PRO A 81 ? 0.1582 0.1739 0.0534 -0.0027 0.0236 0.0186 162 PRO A O 654 C CB . PRO A 81 ? 0.1489 0.1663 0.0419 -0.0022 0.0154 0.0123 162 PRO A CB 655 C CG . PRO A 81 ? 0.1626 0.1799 0.0548 -0.0027 0.0165 0.0105 162 PRO A CG 656 C CD . PRO A 81 ? 0.1653 0.1813 0.0573 -0.0031 0.0207 0.0114 162 PRO A CD 657 N N . ILE A 82 ? 0.1552 0.1718 0.0512 -0.0017 0.0165 0.0186 163 ILE A N 658 C CA . ILE A 82 ? 0.1571 0.1732 0.0590 -0.0020 0.0181 0.0218 163 ILE A CA 659 C C . ILE A 82 ? 0.1516 0.1675 0.0523 -0.0025 0.0197 0.0232 163 ILE A C 660 O O . ILE A 82 ? 0.1736 0.1898 0.0694 -0.0022 0.0165 0.0217 163 ILE A O 661 C CB . ILE A 82 ? 0.1724 0.1888 0.0839 -0.0011 0.0119 0.0214 163 ILE A CB 662 C CG1 . ILE A 82 ? 0.2047 0.2207 0.1301 -0.0014 0.0131 0.0240 163 ILE A CG1 663 C CG2 . ILE A 82 ? 0.1868 0.2037 0.0941 -0.0003 0.0060 0.0190 163 ILE A CG2 664 C CD1 . ILE A 82 ? 0.2451 0.2613 0.1818 -0.0006 0.0079 0.0236 163 ILE A CD1 665 N N . GLY A 83 ? 0.1437 0.1592 0.0494 -0.0030 0.0250 0.0262 164 GLY A N 666 C CA . GLY A 83 ? 0.1585 0.1738 0.0637 -0.0033 0.0269 0.0285 164 GLY A CA 667 C C . GLY A 83 ? 0.1734 0.1887 0.0694 -0.0033 0.0292 0.0270 164 GLY A C 668 O O . GLY A 83 ? 0.1769 0.1920 0.0715 -0.0033 0.0305 0.0289 164 GLY A O 669 N N . THR A 84 ? 0.1456 0.1608 0.0396 -0.0030 0.0283 0.0231 165 THR A N 670 C CA . THR A 84 ? 0.1449 0.1599 0.0352 -0.0029 0.0294 0.0211 165 THR A CA 671 C C . THR A 84 ? 0.1610 0.1754 0.0506 -0.0028 0.0351 0.0217 165 THR A C 672 O O . THR A 84 ? 0.1686 0.1830 0.0612 -0.0029 0.0376 0.0225 165 THR A O 673 C CB . THR A 84 ? 0.1420 0.1574 0.0311 -0.0029 0.0254 0.0169 165 THR A CB 674 O OG1 . THR A 84 ? 0.1591 0.1743 0.0494 -0.0031 0.0259 0.0156 165 THR A OG1 675 C CG2 . THR A 84 ? 0.1414 0.1577 0.0313 -0.0027 0.0202 0.0158 165 THR A CG2 676 N N . ALA A 85 ? 0.1634 0.1775 0.0489 -0.0025 0.0371 0.0213 166 ALA A N 677 C CA . ALA A 85 ? 0.1426 0.1562 0.0260 -0.0021 0.0421 0.0209 166 ALA A CA 678 C C . ALA A 85 ? 0.1536 0.1666 0.0364 -0.0025 0.0403 0.0169 166 ALA A C 679 O O . ALA A 85 ? 0.1582 0.1715 0.0403 -0.0028 0.0359 0.0145 166 ALA A O 680 C CB . ALA A 85 ? 0.2082 0.2217 0.0858 -0.0014 0.0443 0.0215 166 ALA A CB 681 N N . PRO A 86 ? 0.1569 0.1693 0.0405 -0.0024 0.0442 0.0165 167 PRO A N 682 C CA . PRO A 86 ? 0.1616 0.1732 0.0447 -0.0028 0.0430 0.0132 167 PRO A CA 683 C C . PRO A 86 ? 0.1737 0.1850 0.0514 -0.0027 0.0433 0.0104 167 PRO A C 684 O O . PRO A 86 ? 0.2002 0.2111 0.0743 -0.0021 0.0476 0.0103 167 PRO A O 685 C CB . PRO A 86 ? 0.1608 0.1720 0.0467 -0.0026 0.0478 0.0140 167 PRO A CB 686 C CG . PRO A 86 ? 0.1933 0.2051 0.0799 -0.0019 0.0530 0.0172 167 PRO A CG 687 C CD . PRO A 86 ? 0.1824 0.1949 0.0679 -0.0019 0.0504 0.0193 167 PRO A CD 688 N N . VAL A 87 ? 0.1628 0.1743 0.0397 -0.0034 0.0390 0.0081 168 VAL A N 689 C CA . VAL A 87 ? 0.1853 0.1966 0.0574 -0.0034 0.0391 0.0054 168 VAL A CA 690 C C . VAL A 87 ? 0.1850 0.1961 0.0585 -0.0044 0.0372 0.0027 168 VAL A C 691 O O . VAL A 87 ? 0.1559 0.1670 0.0335 -0.0048 0.0353 0.0033 168 VAL A O 692 C CB . VAL A 87 ? 0.1503 0.1627 0.0196 -0.0032 0.0364 0.0058 168 VAL A CB 693 C CG1 . VAL A 87 ? 0.1894 0.2020 0.0571 -0.0022 0.0388 0.0091 168 VAL A CG1 694 C CG2 . VAL A 87 ? 0.1790 0.1925 0.0521 -0.0038 0.0316 0.0055 168 VAL A CG2 695 N N . LEU A 88 ? 0.1653 0.1761 0.0349 -0.0046 0.0379 0.0000 169 LEU A N 696 C CA . LEU A 88 ? 0.1572 0.1677 0.0280 -0.0056 0.0370 -0.0024 169 LEU A CA 697 C C . LEU A 88 ? 0.1496 0.1613 0.0237 -0.0063 0.0326 -0.0021 169 LEU A C 698 O O . LEU A 88 ? 0.1624 0.1739 0.0391 -0.0070 0.0318 -0.0025 169 LEU A O 699 C CB . LEU A 88 ? 0.1748 0.1850 0.0405 -0.0056 0.0384 -0.0059 169 LEU A CB 700 C CG . LEU A 88 ? 0.1846 0.1937 0.0464 -0.0046 0.0433 -0.0070 169 LEU A CG 701 C CD1 . LEU A 88 ? 0.2373 0.2466 0.0928 -0.0043 0.0440 -0.0108 169 LEU A CD1 702 C CD2 . LEU A 88 ? 0.1987 0.2064 0.0641 -0.0048 0.0462 -0.0071 169 LEU A CD2 703 N N . GLY A 89 ? 0.1893 0.2024 0.0631 -0.0060 0.0301 -0.0012 170 GLY A N 704 C CA . GLY A 89 ? 0.1649 0.1795 0.0416 -0.0065 0.0264 -0.0011 170 GLY A CA 705 C C . GLY A 89 ? 0.1825 0.1976 0.0634 -0.0063 0.0248 0.0009 170 GLY A C 706 O O . GLY A 89 ? 0.1945 0.2110 0.0775 -0.0065 0.0221 0.0009 170 GLY A O 707 N N . ASN A 90 A 0.1599 0.1740 0.0417 -0.0057 0.0264 0.0028 171 ASN A N 708 C CA . ASN A 90 A 0.1692 0.1839 0.0544 -0.0053 0.0245 0.0045 171 ASN A CA 709 C C . ASN A 90 A 0.1753 0.1890 0.0622 -0.0052 0.0262 0.0056 171 ASN A C 710 O O . ASN A 90 A 0.1639 0.1783 0.0530 -0.0048 0.0243 0.0069 171 ASN A O 711 C CB . ASN A 90 A 0.1498 0.1652 0.0354 -0.0046 0.0235 0.0062 171 ASN A CB 712 C CG . ASN A 90 A 0.1507 0.1649 0.0353 -0.0042 0.0270 0.0080 171 ASN A CG 713 O OD1 . ASN A 90 A 0.1713 0.1844 0.0549 -0.0043 0.0304 0.0078 171 ASN A OD1 714 N ND2 . ASN A 90 A 0.1534 0.1680 0.0383 -0.0038 0.0266 0.0099 171 ASN A ND2 715 N N . TYR A 91 ? 0.1338 0.1460 0.0194 -0.0054 0.0298 0.0050 171 TYR A N 716 C CA . TYR A 91 ? 0.1266 0.1379 0.0142 -0.0051 0.0319 0.0063 171 TYR A CA 717 C C . TYR A 91 ? 0.1492 0.1603 0.0378 -0.0055 0.0312 0.0060 171 TYR A C 718 O O . TYR A 91 ? 0.1589 0.1701 0.0464 -0.0062 0.0302 0.0043 171 TYR A O 719 C CB . TYR A 91 ? 0.1441 0.1541 0.0305 -0.0049 0.0369 0.0061 171 TYR A CB 720 C CG . TYR A 91 ? 0.1372 0.1459 0.0214 -0.0053 0.0394 0.0035 171 TYR A CG 721 C CD1 . TYR A 91 ? 0.1585 0.1660 0.0438 -0.0051 0.0436 0.0033 171 TYR A CD1 722 C CD2 . TYR A 91 ? 0.1556 0.1645 0.0368 -0.0059 0.0380 0.0010 171 TYR A CD2 723 C CE1 . TYR A 91 ? 0.1713 0.1776 0.0545 -0.0054 0.0462 0.0004 171 TYR A CE1 724 C CE2 . TYR A 91 ? 0.1653 0.1731 0.0443 -0.0064 0.0403 -0.0018 171 TYR A CE2 725 C CZ . TYR A 91 ? 0.1602 0.1666 0.0400 -0.0061 0.0445 -0.0023 171 TYR A CZ 726 O OH . TYR A 91 ? 0.1715 0.1769 0.0492 -0.0064 0.0470 -0.0056 171 TYR A OH 727 N N . LYS A 92 ? 0.1395 0.1502 0.0301 -0.0050 0.0317 0.0080 172 LYS A N 728 C CA . LYS A 92 ? 0.1525 0.1626 0.0436 -0.0052 0.0321 0.0084 172 LYS A CA 729 C C . LYS A 92 ? 0.1719 0.1806 0.0644 -0.0050 0.0366 0.0092 172 LYS A C 730 O O . LYS A 92 ? 0.1466 0.1555 0.0407 -0.0044 0.0382 0.0106 172 LYS A O 731 C CB . LYS A 92 ? 0.1728 0.1844 0.0649 -0.0045 0.0284 0.0106 172 LYS A CB 732 C CG . LYS A 92 ? 0.2060 0.2193 0.0972 -0.0046 0.0246 0.0096 172 LYS A CG 733 C CD . LYS A 92 ? 0.2636 0.2767 0.1537 -0.0056 0.0253 0.0079 172 LYS A CD 734 C CE . LYS A 92 ? 0.3087 0.3239 0.1985 -0.0057 0.0224 0.0069 172 LYS A CE 735 N NZ . LYS A 92 ? 0.3082 0.3252 0.1983 -0.0046 0.0195 0.0086 172 LYS A NZ 736 N N . GLU A 93 ? 0.1695 0.1769 0.0618 -0.0054 0.0391 0.0082 173 GLU A N 737 C CA . GLU A 93 ? 0.1536 0.1599 0.0482 -0.0052 0.0440 0.0087 173 GLU A CA 738 C C . GLU A 93 ? 0.1869 0.1934 0.0837 -0.0048 0.0432 0.0122 173 GLU A C 739 O O . GLU A 93 ? 0.1787 0.1849 0.0744 -0.0052 0.0414 0.0129 173 GLU A O 740 C CB . GLU A 93 ? 0.1499 0.1547 0.0431 -0.0057 0.0477 0.0053 173 GLU A CB 741 C CG . GLU A 93 ? 0.1645 0.1686 0.0608 -0.0052 0.0540 0.0048 173 GLU A CG 742 C CD . GLU A 93 ? 0.2107 0.2138 0.1108 -0.0054 0.0564 0.0052 173 GLU A CD 743 O OE1 . GLU A 93 ? 0.2118 0.2146 0.1115 -0.0060 0.0535 0.0067 173 GLU A OE1 744 O OE2 . GLU A 93 ? 0.1993 0.2012 0.1065 -0.0048 0.0599 0.0038 173 GLU A OE2 745 N N . ILE A 94 ? 0.1442 0.1513 0.0441 -0.0042 0.0447 0.0149 174 ILE A N 746 C CA . ILE A 94 ? 0.1467 0.1536 0.0523 -0.0034 0.0414 0.0182 174 ILE A CA 747 C C . ILE A 94 ? 0.1363 0.1411 0.0502 -0.0033 0.0437 0.0185 174 ILE A C 748 O O . ILE A 94 ? 0.1525 0.1567 0.0682 -0.0032 0.0415 0.0206 174 ILE A O 749 C CB . ILE A 94 ? 0.1500 0.1578 0.0614 -0.0025 0.0389 0.0203 174 ILE A CB 750 C CG1 . ILE A 94 ? 0.1777 0.1872 0.0823 -0.0026 0.0365 0.0200 174 ILE A CG1 751 C CG2 . ILE A 94 ? 0.1364 0.1440 0.0534 -0.0014 0.0344 0.0235 174 ILE A CG2 752 C CD1 . ILE A 94 ? 0.1478 0.1582 0.0452 -0.0024 0.0318 0.0203 174 ILE A CD1 753 N N . CYS A 95 ? 0.1537 0.1578 0.0730 -0.0032 0.0482 0.0164 175 CYS A N 754 C CA . CYS A 95 ? 0.1416 0.1437 0.0698 -0.0029 0.0508 0.0159 175 CYS A CA 755 C C . CYS A 95 ? 0.1757 0.1775 0.1068 -0.0027 0.0565 0.0126 175 CYS A C 756 O O . CYS A 95 ? 0.1782 0.1814 0.1060 -0.0026 0.0582 0.0119 175 CYS A O 757 C CB . CYS A 95 ? 0.1424 0.1443 0.0806 -0.0019 0.0478 0.0198 175 CYS A CB 758 S SG . CYS A 95 ? 0.1997 0.2034 0.1431 -0.0010 0.0474 0.0209 175 CYS A SG 759 N N . ILE A 96 ? 0.1707 0.1707 0.1082 -0.0025 0.0596 0.0105 176 ILE A N 760 C CA . ILE A 96 ? 0.1908 0.1906 0.1320 -0.0018 0.0653 0.0072 176 ILE A CA 761 C C . ILE A 96 ? 0.1653 0.1659 0.1169 -0.0008 0.0657 0.0099 176 ILE A C 762 O O . ILE A 96 ? 0.1698 0.1697 0.1304 -0.0003 0.0628 0.0129 176 ILE A O 763 C CB . ILE A 96 ? 0.1934 0.1909 0.1398 -0.0017 0.0680 0.0039 176 ILE A CB 764 C CG1 . ILE A 96 ? 0.1715 0.1681 0.1093 -0.0029 0.0667 0.0015 176 ILE A CG1 765 C CG2 . ILE A 96 ? 0.1871 0.1847 0.1362 -0.0007 0.0741 -0.0003 176 ILE A CG2 766 C CD1 . ILE A 96 ? 0.1842 0.1783 0.1290 -0.0031 0.0677 -0.0007 176 ILE A CD1 767 N N . ALA A 97 ? 0.1578 0.1602 0.1084 -0.0003 0.0690 0.0093 177 ALA A N 768 C CA . ALA A 97 ? 0.1592 0.1627 0.1206 0.0005 0.0696 0.0120 177 ALA A CA 769 C C . ALA A 97 ? 0.1577 0.1629 0.1192 0.0011 0.0755 0.0107 177 ALA A C 770 O O . ALA A 97 ? 0.1762 0.1824 0.1269 0.0007 0.0769 0.0097 177 ALA A O 771 C CB . ALA A 97 ? 0.1795 0.1841 0.1411 0.0003 0.0633 0.0161 177 ALA A CB 772 N N . TRP A 98 ? 0.1594 0.1650 0.1333 0.0022 0.0790 0.0111 178 TRP A N 773 C CA . TRP A 98 ? 0.1793 0.1871 0.1558 0.0028 0.0843 0.0116 178 TRP A CA 774 C C . TRP A 98 ? 0.1892 0.1985 0.1784 0.0030 0.0820 0.0159 178 TRP A C 775 O O . TRP A 98 ? 0.1823 0.1936 0.1769 0.0036 0.0865 0.0171 178 TRP A O 776 C CB . TRP A 98 ? 0.1840 0.1919 0.1630 0.0041 0.0921 0.0079 178 TRP A CB 777 C CG . TRP A 98 ? 0.1670 0.1732 0.1569 0.0050 0.0932 0.0059 178 TRP A CG 778 C CD1 . TRP A 98 ? 0.1842 0.1885 0.1709 0.0053 0.0953 0.0012 178 TRP A CD1 779 C CD2 . TRP A 98 ? 0.1616 0.1679 0.1683 0.0057 0.0922 0.0083 178 TRP A CD2 780 N NE1 . TRP A 98 ? 0.2064 0.2094 0.2068 0.0062 0.0957 0.0007 178 TRP A NE1 781 C CE2 . TRP A 98 ? 0.2060 0.2101 0.2185 0.0065 0.0939 0.0051 178 TRP A CE2 782 C CE3 . TRP A 98 ? 0.1653 0.1730 0.1831 0.0058 0.0896 0.0127 178 TRP A CE3 783 C CZ2 . TRP A 98 ? 0.1905 0.1940 0.2194 0.0074 0.0932 0.0065 178 TRP A CZ2 784 C CZ3 . TRP A 98 ? 0.1691 0.1764 0.2031 0.0068 0.0888 0.0139 178 TRP A CZ3 785 C CH2 . TRP A 98 ? 0.1855 0.1907 0.2247 0.0076 0.0906 0.0110 178 TRP A CH2 786 N N . SER A 99 ? 0.1561 0.1645 0.1500 0.0028 0.0750 0.0183 179 SER A N 787 C CA . SER A 99 ? 0.1583 0.1681 0.1619 0.0029 0.0707 0.0221 179 SER A CA 788 C C . SER A 99 ? 0.1737 0.1824 0.1721 0.0024 0.0623 0.0236 179 SER A C 789 O O . SER A 99 ? 0.1674 0.1743 0.1625 0.0024 0.0605 0.0228 179 SER A O 790 C CB . SER A 99 ? 0.1571 0.1672 0.1783 0.0040 0.0721 0.0231 179 SER A CB 791 O OG . SER A 99 ? 0.1586 0.1701 0.1898 0.0041 0.0674 0.0264 179 SER A OG 792 N N . SER A 100 ? 0.1549 0.1648 0.1528 0.0021 0.0574 0.0258 180 SER A N 793 C CA . SER A 100 ? 0.1599 0.1692 0.1511 0.0019 0.0498 0.0269 180 SER A CA 794 C C . SER A 100 ? 0.1371 0.1477 0.1339 0.0023 0.0433 0.0292 180 SER A C 795 O O . SER A 100 ? 0.1559 0.1679 0.1607 0.0023 0.0445 0.0301 180 SER A O 796 C CB . SER A 100 ? 0.1505 0.1594 0.1252 0.0009 0.0500 0.0251 180 SER A CB 797 O OG . SER A 100 ? 0.1498 0.1602 0.1199 0.0004 0.0495 0.0255 180 SER A OG 798 N N . SER A 101 ? 0.1547 0.1648 0.1470 0.0027 0.0364 0.0301 181 SER A N 799 C CA . SER A 101 ? 0.1445 0.1557 0.1378 0.0032 0.0293 0.0314 181 SER A CA 800 C C . SER A 101 ? 0.1529 0.1637 0.1326 0.0033 0.0245 0.0311 181 SER A C 801 O O . SER A 101 ? 0.1512 0.1607 0.1256 0.0033 0.0255 0.0312 181 SER A O 802 C CB . SER A 101 ? 0.1423 0.1539 0.1502 0.0046 0.0249 0.0333 181 SER A CB 803 O OG . SER A 101 ? 0.1679 0.1806 0.1775 0.0052 0.0177 0.0338 181 SER A OG 804 N N . SER A 102 ? 0.1361 0.1480 0.1107 0.0035 0.0197 0.0308 182 SER A N 805 C CA . SER A 102 ? 0.1424 0.1543 0.1044 0.0038 0.0151 0.0305 182 SER A CA 806 C C . SER A 102 ? 0.1401 0.1533 0.1042 0.0052 0.0073 0.0308 182 SER A C 807 O O . SER A 102 ? 0.1578 0.1718 0.1301 0.0051 0.0062 0.0304 182 SER A O 808 C CB . SER A 102 ? 0.1330 0.1452 0.0826 0.0026 0.0182 0.0286 182 SER A CB 809 O OG . SER A 102 ? 0.1380 0.1492 0.0855 0.0015 0.0252 0.0277 182 SER A OG 810 N N . CYS A 103 ? 0.1409 0.1543 0.0978 0.0064 0.0020 0.0313 183 CYS A N 811 C CA . CYS A 103 ? 0.1509 0.1656 0.1070 0.0080 -0.0059 0.0307 183 CYS A CA 812 C C . CYS A 103 ? 0.1597 0.1749 0.1025 0.0092 -0.0097 0.0310 183 CYS A C 813 O O . CYS A 103 ? 0.1651 0.1795 0.1031 0.0092 -0.0076 0.0328 183 CYS A O 814 C CB . CYS A 103 ? 0.1624 0.1775 0.1327 0.0094 -0.0107 0.0318 183 CYS A CB 815 S SG . CYS A 103 ? 0.1993 0.2132 0.1768 0.0104 -0.0102 0.0350 183 CYS A SG 816 N N . PHE A 104 ? 0.1448 0.1614 0.0819 0.0103 -0.0150 0.0291 184 PHE A N 817 C CA . PHE A 104 ? 0.1552 0.1728 0.0790 0.0117 -0.0185 0.0289 184 PHE A CA 818 C C . PHE A 104 ? 0.1684 0.1870 0.0943 0.0145 -0.0267 0.0295 184 PHE A C 819 O O . PHE A 104 ? 0.2061 0.2252 0.1402 0.0153 -0.0314 0.0278 184 PHE A O 820 C CB . PHE A 104 ? 0.1775 0.1961 0.0929 0.0112 -0.0186 0.0259 184 PHE A CB 821 C CG . PHE A 104 ? 0.1673 0.1874 0.0686 0.0125 -0.0208 0.0254 184 PHE A CG 822 C CD1 . PHE A 104 ? 0.1476 0.1673 0.0406 0.0116 -0.0159 0.0269 184 PHE A CD1 823 C CD2 . PHE A 104 ? 0.1885 0.2102 0.0853 0.0148 -0.0277 0.0233 184 PHE A CD2 824 C CE1 . PHE A 104 ? 0.1834 0.2047 0.0641 0.0128 -0.0173 0.0269 184 PHE A CE1 825 C CE2 . PHE A 104 ? 0.2031 0.2264 0.0865 0.0163 -0.0290 0.0229 184 PHE A CE2 826 C CZ . PHE A 104 ? 0.1867 0.2100 0.0623 0.0152 -0.0236 0.0250 184 PHE A CZ 827 N N . ASP A 105 ? 0.1443 0.1631 0.0632 0.0161 -0.0285 0.0320 185 ASP A N 828 C CA . ASP A 105 ? 0.1982 0.2179 0.1189 0.0191 -0.0363 0.0330 185 ASP A CA 829 C C . ASP A 105 ? 0.2122 0.2341 0.1211 0.0216 -0.0425 0.0309 185 ASP A C 830 O O . ASP A 105 ? 0.2224 0.2452 0.1303 0.0245 -0.0494 0.0314 185 ASP A O 831 C CB . ASP A 105 ? 0.1670 0.1857 0.0888 0.0199 -0.0355 0.0376 185 ASP A CB 832 C CG . ASP A 105 ? 0.2005 0.2195 0.1084 0.0201 -0.0327 0.0400 185 ASP A CG 833 O OD1 . ASP A 105 ? 0.1973 0.2176 0.0941 0.0199 -0.0318 0.0380 185 ASP A OD1 834 O OD2 . ASP A 105 ? 0.2121 0.2300 0.1212 0.0204 -0.0313 0.0442 185 ASP A OD2 835 N N . GLY A 106 ? 0.1833 0.2059 0.0834 0.0207 -0.0401 0.0282 186 GLY A N 836 C CA . GLY A 106 ? 0.2097 0.2345 0.0978 0.0230 -0.0449 0.0257 186 GLY A CA 837 C C . GLY A 106 ? 0.2268 0.2524 0.1009 0.0229 -0.0405 0.0276 186 GLY A C 838 O O . GLY A 106 ? 0.2486 0.2760 0.1123 0.0238 -0.0414 0.0250 186 GLY A O 839 N N . LYS A 107 ? 0.1913 0.2156 0.0662 0.0217 -0.0357 0.0319 187 LYS A N 840 C CA . LYS A 107 ? 0.1979 0.2229 0.0619 0.0214 -0.0312 0.0344 187 LYS A CA 841 C C . LYS A 107 ? 0.2168 0.2400 0.0841 0.0179 -0.0231 0.0351 187 LYS A C 842 O O . LYS A 107 ? 0.2053 0.2294 0.0697 0.0166 -0.0183 0.0333 187 LYS A O 843 C CB . LYS A 107 ? 0.2267 0.2519 0.0875 0.0235 -0.0330 0.0394 187 LYS A CB 844 C CG . LYS A 107 ? 0.2781 0.3053 0.1340 0.0275 -0.0412 0.0390 187 LYS A CG 845 C CD . LYS A 107 ? 0.2942 0.3216 0.1452 0.0296 -0.0422 0.0449 187 LYS A CD 846 C CE . LYS A 107 ? 0.3481 0.3773 0.1948 0.0338 -0.0512 0.0445 187 LYS A CE 847 N NZ . LYS A 107 ? 0.4375 0.4676 0.2759 0.0364 -0.0520 0.0505 187 LYS A NZ 848 N N . GLU A 108 ? 0.1873 0.2082 0.0663 0.0164 -0.0208 0.0365 188 GLU A N 849 C CA . GLU A 108 ? 0.1908 0.2098 0.0732 0.0135 -0.0134 0.0370 188 GLU A CA 850 C C . GLU A 108 ? 0.1639 0.1812 0.0588 0.0120 -0.0115 0.0356 188 GLU A C 851 O O . GLU A 108 ? 0.1760 0.1933 0.0792 0.0131 -0.0157 0.0355 188 GLU A O 852 C CB . GLU A 108 ? 0.2195 0.2374 0.1025 0.0134 -0.0107 0.0415 188 GLU A CB 853 C CG . GLU A 108 ? 0.2381 0.2577 0.1098 0.0151 -0.0119 0.0443 188 GLU A CG 854 C CD . GLU A 108 ? 0.3081 0.3289 0.1739 0.0135 -0.0072 0.0422 188 GLU A CD 855 O OE1 . GLU A 108 ? 0.2848 0.3045 0.1546 0.0109 -0.0028 0.0393 188 GLU A OE1 856 O OE2 . GLU A 108 ? 0.3494 0.3726 0.2104 0.0148 -0.0077 0.0426 188 GLU A OE2 857 N N . TRP A 109 ? 0.1883 0.2045 0.0847 0.0095 -0.0051 0.0345 189 TRP A N 858 C CA . TRP A 109 ? 0.1568 0.1715 0.0642 0.0080 -0.0018 0.0334 189 TRP A CA 859 C C . TRP A 109 ? 0.1834 0.1962 0.0996 0.0078 0.0006 0.0361 189 TRP A C 860 O O . TRP A 109 ? 0.1841 0.1960 0.0972 0.0074 0.0032 0.0380 189 TRP A O 861 C CB . TRP A 109 ? 0.1951 0.2094 0.0989 0.0057 0.0040 0.0309 189 TRP A CB 862 C CG . TRP A 109 ? 0.1581 0.1738 0.0577 0.0056 0.0024 0.0282 189 TRP A CG 863 C CD1 . TRP A 109 ? 0.1762 0.1932 0.0650 0.0057 0.0015 0.0266 189 TRP A CD1 864 C CD2 . TRP A 109 ? 0.1510 0.1668 0.0581 0.0054 0.0015 0.0267 189 TRP A CD2 865 N NE1 . TRP A 109 ? 0.1871 0.2049 0.0763 0.0056 -0.0002 0.0242 189 TRP A NE1 866 C CE2 . TRP A 109 ? 0.1630 0.1800 0.0634 0.0054 -0.0001 0.0244 189 TRP A CE2 867 C CE3 . TRP A 109 ? 0.1661 0.1811 0.0857 0.0053 0.0022 0.0274 189 TRP A CE3 868 C CZ2 . TRP A 109 ? 0.1910 0.2082 0.0969 0.0051 -0.0013 0.0230 189 TRP A CZ2 869 C CZ3 . TRP A 109 ? 0.1642 0.1796 0.0893 0.0050 0.0014 0.0261 189 TRP A CZ3 870 C CH2 . TRP A 109 ? 0.1902 0.2066 0.1086 0.0049 -0.0004 0.0240 189 TRP A CH2 871 N N . MET A 110 ? 0.1602 0.1724 0.0884 0.0081 0.0000 0.0361 190 MET A N 872 C CA . MET A 110 ? 0.1766 0.1870 0.1152 0.0077 0.0033 0.0378 190 MET A CA 873 C C . MET A 110 ? 0.1455 0.1553 0.0906 0.0060 0.0092 0.0354 190 MET A C 874 O O . MET A 110 ? 0.1534 0.1642 0.1003 0.0057 0.0087 0.0336 190 MET A O 875 C CB . MET A 110 ? 0.1797 0.1902 0.1284 0.0097 -0.0020 0.0400 190 MET A CB 876 C CG . MET A 110 ? 0.1903 0.1989 0.1500 0.0095 0.0012 0.0420 190 MET A CG 877 S SD . MET A 110 ? 0.2528 0.2614 0.2271 0.0117 -0.0045 0.0444 190 MET A SD 878 C CE . MET A 110 ? 0.1959 0.2059 0.1802 0.0110 -0.0041 0.0413 190 MET A CE 879 N N . HIS A 111 ? 0.1431 0.1512 0.0917 0.0050 0.0147 0.0353 191 HIS A N 880 C CA . HIS A 111 ? 0.1660 0.1736 0.1211 0.0038 0.0207 0.0332 191 HIS A CA 881 C C . HIS A 111 ? 0.1543 0.1604 0.1213 0.0042 0.0233 0.0343 191 HIS A C 882 O O . HIS A 111 ? 0.1682 0.1730 0.1360 0.0047 0.0223 0.0363 191 HIS A O 883 C CB . HIS A 111 ? 0.1501 0.1573 0.0958 0.0022 0.0259 0.0306 191 HIS A CB 884 C CG . HIS A 111 ? 0.1504 0.1590 0.0840 0.0018 0.0235 0.0296 191 HIS A CG 885 N ND1 . HIS A 111 ? 0.1538 0.1636 0.0856 0.0016 0.0229 0.0282 191 HIS A ND1 886 C CD2 . HIS A 111 ? 0.1557 0.1646 0.0791 0.0018 0.0216 0.0300 191 HIS A CD2 887 C CE1 . HIS A 111 ? 0.1484 0.1593 0.0693 0.0015 0.0205 0.0274 191 HIS A CE1 888 N NE2 . HIS A 111 ? 0.1482 0.1587 0.0639 0.0016 0.0198 0.0285 191 HIS A NE2 889 N N . VAL A 112 ? 0.1487 0.1550 0.1254 0.0040 0.0268 0.0331 192 VAL A N 890 C CA . VAL A 112 ? 0.1421 0.1472 0.1311 0.0044 0.0304 0.0333 192 VAL A CA 891 C C . VAL A 112 ? 0.1436 0.1484 0.1315 0.0032 0.0383 0.0301 192 VAL A C 892 O O . VAL A 112 ? 0.1464 0.1526 0.1334 0.0028 0.0406 0.0288 192 VAL A O 893 C CB . VAL A 112 ? 0.1681 0.1742 0.1710 0.0056 0.0276 0.0349 192 VAL A CB 894 C CG1 . VAL A 112 ? 0.1687 0.1737 0.1853 0.0062 0.0312 0.0352 192 VAL A CG1 895 C CG2 . VAL A 112 ? 0.1887 0.1955 0.1908 0.0070 0.0188 0.0376 192 VAL A CG2 896 N N . CYS A 113 ? 0.1604 0.1634 0.1483 0.0029 0.0423 0.0287 193 CYS A N 897 C CA . CYS A 113 ? 0.1490 0.1516 0.1327 0.0020 0.0492 0.0249 193 CYS A CA 898 C C . CYS A 113 ? 0.1541 0.1554 0.1487 0.0026 0.0543 0.0233 193 CYS A C 899 O O . CYS A 113 ? 0.1863 0.1856 0.1840 0.0028 0.0539 0.0235 193 CYS A O 900 C CB . CYS A 113 ? 0.1600 0.1617 0.1310 0.0010 0.0492 0.0234 193 CYS A CB 901 S SG . CYS A 113 ? 0.1936 0.1968 0.1522 0.0006 0.0431 0.0252 193 CYS A SG 902 N N . MET A 114 ? 0.1549 0.1574 0.1560 0.0031 0.0592 0.0218 194 MET A N 903 C CA . MET A 114 ? 0.1500 0.1515 0.1614 0.0039 0.0646 0.0197 194 MET A CA 904 C C . MET A 114 ? 0.1673 0.1682 0.1704 0.0035 0.0709 0.0148 194 MET A C 905 O O . MET A 114 ? 0.1717 0.1742 0.1660 0.0030 0.0735 0.0134 194 MET A O 906 C CB . MET A 114 ? 0.1783 0.1816 0.2029 0.0049 0.0671 0.0206 194 MET A CB 907 C CG . MET A 114 ? 0.1878 0.1912 0.2255 0.0058 0.0615 0.0245 194 MET A CG 908 S SD . MET A 114 ? 0.1958 0.2006 0.2278 0.0054 0.0530 0.0281 194 MET A SD 909 C CE . MET A 114 ? 0.1952 0.2007 0.2460 0.0069 0.0483 0.0314 194 MET A CE 910 N N . THR A 115 ? 0.1903 0.1890 0.1970 0.0038 0.0732 0.0122 195 THR A N 911 C CA . THR A 115 ? 0.1982 0.1965 0.1989 0.0038 0.0791 0.0069 195 THR A CA 912 C C . THR A 115 ? 0.1992 0.1954 0.2109 0.0048 0.0822 0.0040 195 THR A C 913 O O . THR A 115 ? 0.2183 0.2132 0.2418 0.0054 0.0794 0.0068 195 THR A O 914 C CB . THR A 115 ? 0.2117 0.2093 0.1972 0.0024 0.0772 0.0051 195 THR A CB 915 O OG1 . THR A 115 ? 0.2122 0.2096 0.1912 0.0027 0.0826 -0.0006 195 THR A OG1 916 C CG2 . THR A 115 ? 0.2253 0.2205 0.2123 0.0018 0.0726 0.0067 195 THR A CG2 917 N N . GLY A 116 ? 0.2020 0.1978 0.2097 0.0053 0.0878 -0.0016 196 GLY A N 918 C CA . GLY A 116 ? 0.2226 0.2164 0.2404 0.0065 0.0913 -0.0054 196 GLY A CA 919 C C . GLY A 116 ? 0.2627 0.2583 0.2878 0.0083 0.0980 -0.0078 196 GLY A C 920 O O . GLY A 116 ? 0.2230 0.2215 0.2441 0.0085 0.1007 -0.0068 196 GLY A O 921 N N . ASN A 117 ? 0.2110 0.2050 0.2475 0.0096 0.1010 -0.0111 197 ASN A N 922 C CA . ASN A 117 ? 0.2569 0.2527 0.3023 0.0117 0.1079 -0.0138 197 ASN A CA 923 C C . ASN A 117 ? 0.2398 0.2381 0.2958 0.0121 0.1077 -0.0084 197 ASN A C 924 O O . ASN A 117 ? 0.2143 0.2118 0.2778 0.0115 0.1017 -0.0033 197 ASN A O 925 C CB . ASN A 117 ? 0.2608 0.2540 0.3186 0.0130 0.1099 -0.0179 197 ASN A CB 926 C CG . ASN A 117 ? 0.3099 0.3008 0.3592 0.0130 0.1112 -0.0245 197 ASN A CG 927 O OD1 . ASN A 117 ? 0.3666 0.3544 0.4244 0.0132 0.1100 -0.0269 197 ASN A OD1 928 N ND2 . ASN A 117 ? 0.2984 0.2909 0.3317 0.0127 0.1135 -0.0276 197 ASN A ND2 929 N N . ASP A 118 ? 0.2266 0.2278 0.2837 0.0134 0.1143 -0.0097 198 ASP A N 930 C CA . ASP A 118 ? 0.2688 0.2726 0.3383 0.0139 0.1150 -0.0052 198 ASP A CA 931 C C . ASP A 118 ? 0.2409 0.2434 0.3295 0.0147 0.1120 -0.0031 198 ASP A C 932 O O . ASP A 118 ? 0.2324 0.2359 0.3299 0.0143 0.1076 0.0021 198 ASP A O 933 C CB . ASP A 118 ? 0.2885 0.2957 0.3590 0.0155 0.1242 -0.0075 198 ASP A CB 934 C CG . ASP A 118 ? 0.3141 0.3234 0.3681 0.0148 0.1264 -0.0069 198 ASP A CG 935 O OD1 . ASP A 118 ? 0.2560 0.2643 0.2978 0.0130 0.1207 -0.0053 198 ASP A OD1 936 O OD2 . ASP A 118 ? 0.2950 0.3073 0.3485 0.0161 0.1339 -0.0078 198 ASP A OD2 937 N N . ASN A 119 ? 0.2265 0.2267 0.3219 0.0158 0.1142 -0.0074 199 ASN A N 938 C CA . ASN A 119 ? 0.2618 0.2606 0.3762 0.0169 0.1119 -0.0056 199 ASN A CA 939 C C . ASN A 119 ? 0.2679 0.2631 0.3837 0.0158 0.1037 -0.0027 199 ASN A C 940 O O . ASN A 119 ? 0.2714 0.2649 0.4023 0.0167 0.1013 -0.0010 199 ASN A O 941 C CB . ASN A 119 ? 0.2448 0.2434 0.3698 0.0191 0.1192 -0.0115 199 ASN A CB 942 C CG . ASN A 119 ? 0.3506 0.3460 0.4674 0.0192 0.1206 -0.0178 199 ASN A CG 943 O OD1 . ASN A 119 ? 0.3754 0.3701 0.4992 0.0211 0.1260 -0.0235 199 ASN A OD1 944 N ND2 . ASN A 119 ? 0.2872 0.2808 0.3901 0.0173 0.1157 -0.0170 199 ASN A ND2 945 N N . ASP A 120 ? 0.2190 0.2130 0.3192 0.0140 0.0995 -0.0016 200 ASP A N 946 C CA . ASP A 120 ? 0.2710 0.2618 0.3712 0.0130 0.0925 0.0014 200 ASP A CA 947 C C . ASP A 120 ? 0.2187 0.2098 0.3023 0.0110 0.0876 0.0042 200 ASP A C 948 O O . ASP A 120 ? 0.2362 0.2249 0.3120 0.0099 0.0849 0.0037 200 ASP A O 949 C CB . ASP A 120 ? 0.2732 0.2605 0.3753 0.0133 0.0946 -0.0036 200 ASP A CB 950 C CG . ASP A 120 ? 0.2688 0.2527 0.3805 0.0132 0.0888 0.0003 200 ASP A CG 951 O OD1 . ASP A 120 ? 0.3088 0.2931 0.4251 0.0131 0.0831 0.0067 200 ASP A OD1 952 O OD2 . ASP A 120 ? 0.3412 0.3220 0.4559 0.0132 0.0898 -0.0032 200 ASP A OD2 953 N N . ALA A 121 ? 0.2497 0.2437 0.3289 0.0106 0.0864 0.0072 201 ALA A N 954 C CA . ALA A 121 ? 0.1987 0.1934 0.2627 0.0089 0.0820 0.0095 201 ALA A CA 955 C C . ALA A 121 ? 0.2074 0.2008 0.2735 0.0085 0.0739 0.0150 201 ALA A C 956 O O . ALA A 121 ? 0.2311 0.2237 0.3107 0.0096 0.0713 0.0179 201 ALA A O 957 C CB . ALA A 121 ? 0.2050 0.2031 0.2651 0.0088 0.0836 0.0107 201 ALA A CB 958 N N . SER A 122 ? 0.1880 0.1811 0.2403 0.0071 0.0698 0.0166 202 SER A N 959 C CA . SER A 122 ? 0.1846 0.1772 0.2366 0.0070 0.0622 0.0221 202 SER A CA 960 C C . SER A 122 ? 0.1475 0.1422 0.1862 0.0060 0.0590 0.0236 202 SER A C 961 O O . SER A 122 ? 0.1819 0.1774 0.2094 0.0050 0.0622 0.0205 202 SER A O 962 C CB . SER A 122 ? 0.2047 0.1941 0.2549 0.0065 0.0602 0.0229 202 SER A CB 963 O OG . SER A 122 ? 0.2288 0.2178 0.2660 0.0050 0.0624 0.0196 202 SER A OG 964 N N . ALA A 123 ? 0.1852 0.1807 0.2254 0.0064 0.0525 0.0282 203 ALA A N 965 C CA . ALA A 123 ? 0.1581 0.1555 0.1866 0.0057 0.0484 0.0297 203 ALA A CA 966 C C . ALA A 123 ? 0.1909 0.1870 0.2103 0.0053 0.0437 0.0323 203 ALA A C 967 O O . ALA A 123 ? 0.2159 0.2106 0.2414 0.0063 0.0400 0.0358 203 ALA A O 968 C CB . ALA A 123 ? 0.1906 0.1899 0.2268 0.0068 0.0440 0.0326 203 ALA A CB 969 N N . GLN A 124 ? 0.1450 0.1415 0.1503 0.0040 0.0443 0.0307 204 GLN A N 970 C CA . GLN A 124 ? 0.1688 0.1647 0.1648 0.0036 0.0404 0.0331 204 GLN A CA 971 C C . GLN A 124 ? 0.1686 0.1667 0.1578 0.0041 0.0346 0.0356 204 GLN A C 972 O O . GLN A 124 ? 0.1606 0.1606 0.1457 0.0037 0.0351 0.0337 204 GLN A O 973 C CB . GLN A 124 ? 0.1417 0.1370 0.1271 0.0020 0.0441 0.0297 204 GLN A CB 974 C CG . GLN A 124 ? 0.1593 0.1520 0.1506 0.0016 0.0486 0.0271 204 GLN A CG 975 C CD . GLN A 124 ? 0.2129 0.2052 0.2156 0.0024 0.0530 0.0244 204 GLN A CD 976 O OE1 . GLN A 124 ? 0.1915 0.1823 0.2065 0.0034 0.0527 0.0260 204 GLN A OE1 977 N NE2 . GLN A 124 ? 0.1765 0.1703 0.1752 0.0021 0.0571 0.0205 204 GLN A NE2 978 N N . ILE A 125 ? 0.1525 0.1504 0.1410 0.0051 0.0291 0.0399 205 ILE A N 979 C CA . ILE A 125 ? 0.1449 0.1449 0.1256 0.0059 0.0232 0.0419 205 ILE A CA 980 C C . ILE A 125 ? 0.1514 0.1517 0.1180 0.0050 0.0228 0.0421 205 ILE A C 981 O O . ILE A 125 ? 0.1685 0.1674 0.1339 0.0049 0.0231 0.0444 205 ILE A O 982 C CB . ILE A 125 ? 0.1471 0.1471 0.1339 0.0080 0.0168 0.0464 205 ILE A CB 983 C CG1 . ILE A 125 ? 0.1814 0.1808 0.1845 0.0088 0.0176 0.0465 205 ILE A CG1 984 C CG2 . ILE A 125 ? 0.1799 0.1824 0.1591 0.0091 0.0104 0.0474 205 ILE A CG2 985 C CD1 . ILE A 125 ? 0.2077 0.2090 0.2157 0.0087 0.0182 0.0437 205 ILE A CD1 986 N N . ILE A 126 ? 0.1487 0.1509 0.1058 0.0044 0.0224 0.0398 206 ILE A N 987 C CA . ILE A 126 ? 0.1576 0.1607 0.1016 0.0037 0.0218 0.0398 206 ILE A CA 988 C C . ILE A 126 ? 0.1706 0.1758 0.1081 0.0052 0.0154 0.0417 206 ILE A C 989 O O . ILE A 126 ? 0.1659 0.1724 0.1059 0.0059 0.0126 0.0406 206 ILE A O 990 C CB . ILE A 126 ? 0.1838 0.1875 0.1209 0.0020 0.0259 0.0353 206 ILE A CB 991 C CG1 . ILE A 126 ? 0.1973 0.1993 0.1410 0.0009 0.0320 0.0323 206 ILE A CG1 992 C CG2 . ILE A 126 ? 0.1738 0.1782 0.0991 0.0011 0.0260 0.0352 206 ILE A CG2 993 C CD1 . ILE A 126 ? 0.1955 0.1953 0.1438 0.0005 0.0345 0.0329 206 ILE A CD1 994 N N . TYR A 127 ? 0.1618 0.1675 0.0914 0.0058 0.0131 0.0445 207 TYR A N 995 C CA . TYR A 127 ? 0.1515 0.1594 0.0732 0.0076 0.0073 0.0459 207 TYR A CA 996 C C . TYR A 127 ? 0.1620 0.1712 0.0711 0.0072 0.0081 0.0462 207 TYR A C 997 O O . TYR A 127 ? 0.1780 0.1864 0.0855 0.0069 0.0099 0.0491 207 TYR A O 998 C CB . TYR A 127 ? 0.1719 0.1797 0.0980 0.0100 0.0021 0.0502 207 TYR A CB 999 C CG . TYR A 127 ? 0.2145 0.2248 0.1323 0.0122 -0.0045 0.0508 207 TYR A CG 1000 C CD1 . TYR A 127 ? 0.1871 0.1986 0.1077 0.0131 -0.0086 0.0481 207 TYR A CD1 1001 C CD2 . TYR A 127 ? 0.2078 0.2193 0.1151 0.0136 -0.0066 0.0540 207 TYR A CD2 1002 C CE1 . TYR A 127 ? 0.2009 0.2147 0.1142 0.0153 -0.0151 0.0479 207 TYR A CE1 1003 C CE2 . TYR A 127 ? 0.2290 0.2429 0.1279 0.0160 -0.0126 0.0540 207 TYR A CE2 1004 C CZ . TYR A 127 ? 0.2487 0.2636 0.1506 0.0169 -0.0171 0.0506 207 TYR A CZ 1005 O OH . TYR A 127 ? 0.2250 0.2423 0.1188 0.0195 -0.0234 0.0499 207 TYR A OH 1006 N N . GLY A 128 ? 0.1597 0.1710 0.0607 0.0071 0.0067 0.0433 208 GLY A N 1007 C CA . GLY A 128 ? 0.1794 0.1922 0.0690 0.0067 0.0078 0.0431 208 GLY A CA 1008 C C . GLY A 128 ? 0.1655 0.1770 0.0556 0.0043 0.0138 0.0420 208 GLY A C 1009 O O . GLY A 128 ? 0.1976 0.2097 0.0819 0.0039 0.0155 0.0434 208 GLY A O 1010 N N . GLY A 129 ? 0.1586 0.1683 0.0559 0.0029 0.0173 0.0393 209 GLY A N 1011 C CA . GLY A 129 ? 0.1735 0.1819 0.0713 0.0007 0.0226 0.0371 209 GLY A CA 1012 C C . GLY A 129 ? 0.1682 0.1741 0.0740 0.0003 0.0252 0.0393 209 GLY A C 1013 O O . GLY A 129 ? 0.1728 0.1773 0.0810 -0.0014 0.0295 0.0368 209 GLY A O 1014 N N . ARG A 130 ? 0.1511 0.1564 0.0613 0.0018 0.0224 0.0438 210 ARG A N 1015 C CA . ARG A 130 ? 0.1771 0.1798 0.0959 0.0015 0.0245 0.0465 210 ARG A CA 1016 C C . ARG A 130 ? 0.1651 0.1661 0.0958 0.0021 0.0246 0.0462 210 ARG A C 1017 O O . ARG A 130 ? 0.1590 0.1608 0.0915 0.0036 0.0209 0.0469 210 ARG A O 1018 C CB . ARG A 130 ? 0.1973 0.2005 0.1136 0.0030 0.0216 0.0526 210 ARG A CB 1019 C CG . ARG A 130 ? 0.2841 0.2846 0.2094 0.0025 0.0240 0.0561 210 ARG A CG 1020 C CD . ARG A 130 ? 0.3018 0.3029 0.2238 0.0040 0.0216 0.0629 210 ARG A CD 1021 N NE . ARG A 130 ? 0.3643 0.3642 0.2932 0.0061 0.0180 0.0672 210 ARG A NE 1022 C CZ . ARG A 130 ? 0.3906 0.3923 0.3147 0.0086 0.0126 0.0696 210 ARG A CZ 1023 N NH1 . ARG A 130 ? 0.4142 0.4190 0.3266 0.0093 0.0101 0.0679 210 ARG A NH1 1024 N NH2 . ARG A 130 ? 0.4515 0.4520 0.3832 0.0104 0.0093 0.0735 210 ARG A NH2 1025 N N . MET A 131 ? 0.1679 0.1664 0.1071 0.0011 0.0287 0.0448 211 MET A N 1026 C CA . MET A 131 ? 0.1559 0.1526 0.1075 0.0019 0.0290 0.0449 211 MET A CA 1027 C C . MET A 131 ? 0.1794 0.1753 0.1363 0.0036 0.0251 0.0510 211 MET A C 1028 O O . MET A 131 ? 0.2257 0.2200 0.1845 0.0034 0.0260 0.0542 211 MET A O 1029 C CB . MET A 131 ? 0.1444 0.1387 0.1038 0.0006 0.0344 0.0414 211 MET A CB 1030 C CG . MET A 131 ? 0.1636 0.1565 0.1361 0.0015 0.0354 0.0407 211 MET A CG 1031 S SD . MET A 131 ? 0.2052 0.1951 0.1869 0.0004 0.0417 0.0362 211 MET A SD 1032 C CE . MET A 131 ? 0.2010 0.1926 0.1713 -0.0011 0.0453 0.0298 211 MET A CE 1033 N N . THR A 132 ? 0.1717 0.1687 0.1314 0.0055 0.0207 0.0526 212 THR A N 1034 C CA . THR A 132 ? 0.1903 0.1870 0.1529 0.0076 0.0158 0.0585 212 THR A CA 1035 C C . THR A 132 ? 0.2157 0.2106 0.1934 0.0087 0.0151 0.0599 212 THR A C 1036 O O . THR A 132 ? 0.2182 0.2122 0.1999 0.0103 0.0117 0.0652 212 THR A O 1037 C CB . THR A 132 ? 0.1926 0.1922 0.1470 0.0094 0.0098 0.0596 212 THR A CB 1038 O OG1 . THR A 132 ? 0.1733 0.1741 0.1303 0.0091 0.0095 0.0552 212 THR A OG1 1039 C CG2 . THR A 132 ? 0.1997 0.2012 0.1392 0.0090 0.0095 0.0599 212 THR A CG2 1040 N N . ASP A 133 ? 0.1783 0.1729 0.1642 0.0081 0.0180 0.0556 213 ASP A N 1041 C CA . ASP A 133 ? 0.1876 0.1808 0.1887 0.0092 0.0175 0.0566 213 ASP A CA 1042 C C . ASP A 133 ? 0.2018 0.1946 0.2102 0.0081 0.0232 0.0510 213 ASP A C 1043 O O . ASP A 133 ? 0.1753 0.1688 0.1764 0.0065 0.0271 0.0468 213 ASP A O 1044 C CB . ASP A 133 ? 0.1947 0.1897 0.1975 0.0115 0.0106 0.0593 213 ASP A CB 1045 C CG . ASP A 133 ? 0.2512 0.2447 0.2668 0.0134 0.0074 0.0636 213 ASP A CG 1046 O OD1 . ASP A 133 ? 0.2429 0.2339 0.2693 0.0129 0.0115 0.0632 213 ASP A OD1 1047 O OD2 . ASP A 133 ? 0.2161 0.2108 0.2310 0.0155 0.0007 0.0671 213 ASP A OD2 1048 N N . SER A 134 ? 0.1952 0.1871 0.2182 0.0090 0.0238 0.0510 214 SER A N 1049 C CA . SER A 134 ? 0.1914 0.1832 0.2215 0.0083 0.0297 0.0459 214 SER A CA 1050 C C . SER A 134 ? 0.2250 0.2170 0.2709 0.0098 0.0287 0.0467 214 SER A C 1051 O O . SER A 134 ? 0.2190 0.2104 0.2717 0.0114 0.0238 0.0511 214 SER A O 1052 C CB . SER A 134 ? 0.1875 0.1768 0.2193 0.0071 0.0357 0.0429 214 SER A CB 1053 O OG . SER A 134 ? 0.1983 0.1850 0.2410 0.0080 0.0349 0.0461 214 SER A OG 1054 N N . ILE A 135 ? 0.2019 0.1950 0.2535 0.0095 0.0334 0.0426 215 ILE A N 1055 C CA . ILE A 135 ? 0.2230 0.2165 0.2912 0.0108 0.0339 0.0426 215 ILE A CA 1056 C C . ILE A 135 ? 0.1952 0.1875 0.2704 0.0104 0.0420 0.0381 215 ILE A C 1057 O O . ILE A 135 ? 0.2169 0.2098 0.2843 0.0092 0.0472 0.0340 215 ILE A O 1058 C CB . ILE A 135 ? 0.2145 0.2111 0.2845 0.0111 0.0324 0.0420 215 ILE A CB 1059 C CG1 . ILE A 135 ? 0.2102 0.2081 0.2724 0.0117 0.0241 0.0455 215 ILE A CG1 1060 C CG2 . ILE A 135 ? 0.2134 0.2107 0.3023 0.0124 0.0335 0.0420 215 ILE A CG2 1061 C CD1 . ILE A 135 ? 0.2114 0.2122 0.2730 0.0115 0.0226 0.0442 215 ILE A CD1 1062 N N . LYS A 136 ? 0.2167 0.2072 0.3066 0.0116 0.0428 0.0388 216 LYS A N 1063 C CA . LYS A 136 ? 0.2268 0.2162 0.3244 0.0116 0.0503 0.0341 216 LYS A CA 1064 C C . LYS A 136 ? 0.2356 0.2274 0.3457 0.0126 0.0534 0.0325 216 LYS A C 1065 O O . LYS A 136 ? 0.2464 0.2393 0.3667 0.0138 0.0488 0.0359 216 LYS A O 1066 C CB . LYS A 136 ? 0.2474 0.2334 0.3553 0.0124 0.0498 0.0355 216 LYS A CB 1067 C CG . LYS A 136 ? 0.2675 0.2521 0.3840 0.0127 0.0572 0.0300 216 LYS A CG 1068 C CD . LYS A 136 ? 0.3190 0.2998 0.4466 0.0134 0.0564 0.0314 216 LYS A CD 1069 C CE . LYS A 136 ? 0.3564 0.3359 0.4949 0.0141 0.0635 0.0253 216 LYS A CE 1070 N NZ . LYS A 136 ? 0.4179 0.3962 0.5459 0.0128 0.0686 0.0194 216 LYS A NZ 1071 N N . SER A 137 ? 0.2111 0.2038 0.3201 0.0122 0.0611 0.0273 217 SER A N 1072 C CA . SER A 137 ? 0.2168 0.2121 0.3377 0.0132 0.0652 0.0259 217 SER A CA 1073 C C . SER A 137 ? 0.2539 0.2482 0.3944 0.0150 0.0642 0.0274 217 SER A C 1074 O O . SER A 137 ? 0.2468 0.2382 0.3920 0.0155 0.0655 0.0261 217 SER A O 1075 C CB . SER A 137 ? 0.2205 0.2166 0.3370 0.0129 0.0744 0.0200 217 SER A CB 1076 O OG . SER A 137 ? 0.2267 0.2256 0.3555 0.0141 0.0791 0.0190 217 SER A OG 1077 N N . TRP A 138 ? 0.2202 0.2168 0.3729 0.0160 0.0614 0.0301 218 TRP A N 1078 C CA . TRP A 138 ? 0.2502 0.2461 0.4225 0.0179 0.0595 0.0320 218 TRP A CA 1079 C C . TRP A 138 ? 0.2890 0.2872 0.4766 0.0190 0.0664 0.0290 218 TRP A C 1080 O O . TRP A 138 ? 0.2822 0.2796 0.4863 0.0206 0.0676 0.0287 218 TRP A O 1081 C CB . TRP A 138 ? 0.2758 0.2722 0.4523 0.0186 0.0496 0.0377 218 TRP A CB 1082 C CG . TRP A 138 ? 0.2576 0.2577 0.4364 0.0184 0.0476 0.0387 218 TRP A CG 1083 C CD1 . TRP A 138 ? 0.2617 0.2643 0.4584 0.0195 0.0480 0.0391 218 TRP A CD1 1084 C CD2 . TRP A 138 ? 0.2300 0.2317 0.3939 0.0170 0.0449 0.0393 218 TRP A CD2 1085 N NE1 . TRP A 138 ? 0.2543 0.2599 0.4485 0.0188 0.0456 0.0400 218 TRP A NE1 1086 C CE2 . TRP A 138 ? 0.2272 0.2321 0.4013 0.0173 0.0436 0.0400 218 TRP A CE2 1087 C CE3 . TRP A 138 ? 0.2718 0.2724 0.4155 0.0155 0.0434 0.0391 218 TRP A CE3 1088 C CZ2 . TRP A 138 ? 0.2737 0.2807 0.4387 0.0162 0.0408 0.0405 218 TRP A CZ2 1089 C CZ3 . TRP A 138 ? 0.2465 0.2493 0.3808 0.0146 0.0407 0.0395 218 TRP A CZ3 1090 C CH2 . TRP A 138 ? 0.2301 0.2359 0.3751 0.0149 0.0394 0.0402 218 TRP A CH2 1091 N N . ARG A 139 ? 0.2618 0.2632 0.4446 0.0182 0.0712 0.0271 219 ARG A N 1092 C CA . ARG A 139 ? 0.2693 0.2734 0.4645 0.0192 0.0794 0.0242 219 ARG A CA 1093 C C . ARG A 139 ? 0.2599 0.2635 0.4449 0.0189 0.0886 0.0185 219 ARG A C 1094 O O . ARG A 139 ? 0.2561 0.2619 0.4484 0.0200 0.0968 0.0153 219 ARG A O 1095 C CB . ARG A 139 ? 0.2722 0.2802 0.4703 0.0187 0.0795 0.0261 219 ARG A CB 1096 C CG . ARG A 139 ? 0.3227 0.3321 0.5366 0.0195 0.0720 0.0305 219 ARG A CG 1097 C CD . ARG A 139 ? 0.3798 0.3907 0.6169 0.0214 0.0758 0.0299 219 ARG A CD 1098 N NE . ARG A 139 ? 0.3651 0.3793 0.6074 0.0216 0.0862 0.0270 219 ARG A NE 1099 C CZ . ARG A 139 ? 0.3506 0.3686 0.6053 0.0217 0.0880 0.0286 219 ARG A CZ 1100 N NH1 . ARG A 139 ? 0.3192 0.3384 0.5828 0.0216 0.0793 0.0326 219 ARG A NH1 1101 N NH2 . ARG A 139 ? 0.3338 0.3549 0.5923 0.0220 0.0984 0.0262 219 ARG A NH2 1102 N N . LYS A 140 ? 0.2341 0.2352 0.4017 0.0177 0.0872 0.0172 220 LYS A N 1103 C CA . LYS A 140 ? 0.2262 0.2266 0.3832 0.0175 0.0947 0.0114 220 LYS A CA 1104 C C . LYS A 140 ? 0.2451 0.2492 0.3970 0.0175 0.1024 0.0091 220 LYS A C 1105 O O . LYS A 140 ? 0.2515 0.2562 0.4033 0.0186 0.1105 0.0041 220 LYS A O 1106 C CB . LYS A 140 ? 0.2552 0.2534 0.4237 0.0192 0.0986 0.0075 220 LYS A CB 1107 C CG . LYS A 140 ? 0.2827 0.2767 0.4542 0.0190 0.0920 0.0096 220 LYS A CG 1108 C CD . LYS A 140 ? 0.3349 0.3264 0.5179 0.0206 0.0962 0.0051 220 LYS A CD 1109 C CE . LYS A 140 ? 0.3804 0.3678 0.5688 0.0206 0.0895 0.0083 220 LYS A CE 1110 N NZ . LYS A 140 ? 0.4424 0.4277 0.6134 0.0186 0.0855 0.0095 220 LYS A NZ 1111 N N . ASP A 141 ? 0.2327 0.2391 0.3798 0.0164 0.0998 0.0127 221 ASP A N 1112 C CA . ASP A 141 ? 0.2206 0.2304 0.3629 0.0164 0.1069 0.0115 221 ASP A CA 1113 C C . ASP A 141 ? 0.2003 0.2111 0.3284 0.0145 0.1030 0.0143 221 ASP A C 1114 O O . ASP A 141 ? 0.1981 0.2111 0.3326 0.0141 0.1001 0.0182 221 ASP A O 1115 C CB . ASP A 141 ? 0.2392 0.2524 0.4008 0.0177 0.1108 0.0131 221 ASP A CB 1116 C CG . ASP A 141 ? 0.2750 0.2918 0.4331 0.0180 0.1202 0.0117 221 ASP A CG 1117 O OD1 . ASP A 141 ? 0.2853 0.3020 0.4252 0.0172 0.1229 0.0099 221 ASP A OD1 1118 O OD2 . ASP A 141 ? 0.3123 0.3321 0.4862 0.0191 0.1250 0.0127 221 ASP A OD2 1119 N N . ILE A 142 ? 0.2076 0.2167 0.3172 0.0135 0.1028 0.0121 222 ILE A N 1120 C CA . ILE A 142 ? 0.1921 0.2019 0.2864 0.0118 0.0999 0.0139 222 ILE A CA 1121 C C . ILE A 142 ? 0.2017 0.2112 0.2979 0.0108 0.0903 0.0187 222 ILE A C 1122 O O . ILE A 142 ? 0.1951 0.2068 0.2931 0.0103 0.0887 0.0216 222 ILE A O 1123 C CB . ILE A 142 ? 0.1972 0.2104 0.2884 0.0119 0.1068 0.0139 222 ILE A CB 1124 C CG1 . ILE A 142 ? 0.2442 0.2578 0.3325 0.0133 0.1164 0.0088 222 ILE A CG1 1125 C CG2 . ILE A 142 ? 0.2179 0.2313 0.2923 0.0102 0.1038 0.0154 222 ILE A CG2 1126 C CD1 . ILE A 142 ? 0.2509 0.2681 0.3371 0.0138 0.1244 0.0092 222 ILE A CD1 1127 N N . LEU A 143 ? 0.2053 0.2120 0.3009 0.0107 0.0840 0.0196 223 LEU A N 1128 C CA . LEU A 143 ? 0.1799 0.1862 0.2739 0.0101 0.0747 0.0237 223 LEU A CA 1129 C C . LEU A 143 ? 0.1798 0.1873 0.2585 0.0086 0.0735 0.0241 223 LEU A C 1130 O O . LEU A 143 ? 0.1963 0.2032 0.2611 0.0079 0.0769 0.0214 223 LEU A O 1131 C CB . LEU A 143 ? 0.1782 0.1813 0.2687 0.0101 0.0697 0.0242 223 LEU A CB 1132 C CG . LEU A 143 ? 0.2029 0.2054 0.2872 0.0096 0.0604 0.0281 223 LEU A CG 1133 C CD1 . LEU A 143 ? 0.2053 0.2090 0.3040 0.0107 0.0547 0.0317 223 LEU A CD1 1134 C CD2 . LEU A 143 ? 0.1680 0.1674 0.2459 0.0094 0.0579 0.0282 223 LEU A CD2 1135 N N . ARG A 144 ? 0.1731 0.1823 0.2552 0.0084 0.0685 0.0273 224 ARG A N 1136 C CA . ARG A 144 ? 0.1586 0.1693 0.2296 0.0072 0.0682 0.0277 224 ARG A CA 1137 C C . ARG A 144 ? 0.1559 0.1674 0.2293 0.0070 0.0596 0.0309 224 ARG A C 1138 O O . ARG A 144 ? 0.1590 0.1706 0.2447 0.0079 0.0545 0.0329 224 ARG A O 1139 C CB . ARG A 144 ? 0.1829 0.1960 0.2577 0.0072 0.0765 0.0269 224 ARG A CB 1140 C CG . ARG A 144 ? 0.1829 0.1981 0.2782 0.0082 0.0785 0.0286 224 ARG A CG 1141 C CD . ARG A 144 ? 0.1795 0.1970 0.2774 0.0085 0.0887 0.0275 224 ARG A CD 1142 N NE . ARG A 144 ? 0.2186 0.2386 0.3368 0.0094 0.0913 0.0294 224 ARG A NE 1143 C CZ . ARG A 144 ? 0.2181 0.2383 0.3503 0.0108 0.0943 0.0283 224 ARG A CZ 1144 N NH1 . ARG A 144 ? 0.2133 0.2310 0.3418 0.0115 0.0948 0.0254 224 ARG A NH1 1145 N NH2 . ARG A 144 ? 0.2372 0.2600 0.3883 0.0115 0.0967 0.0302 224 ARG A NH2 1146 N N . THR A 145 ? 0.1651 0.1772 0.2268 0.0059 0.0577 0.0311 225 THR A N 1147 C CA . THR A 145 ? 0.1458 0.1584 0.2078 0.0059 0.0491 0.0333 225 THR A CA 1148 C C . THR A 145 ? 0.1991 0.2136 0.2583 0.0049 0.0496 0.0338 225 THR A C 1149 O O . THR A 145 ? 0.1755 0.1912 0.2373 0.0045 0.0567 0.0335 225 THR A O 1150 C CB . THR A 145 ? 0.1765 0.1872 0.2263 0.0059 0.0427 0.0335 225 THR A CB 1151 O OG1 . THR A 145 ? 0.1633 0.1747 0.2150 0.0065 0.0339 0.0353 225 THR A OG1 1152 C CG2 . THR A 145 ? 0.1677 0.1778 0.1996 0.0047 0.0452 0.0315 225 THR A CG2 1153 N N . GLN A 146 ? 0.1572 0.1718 0.2112 0.0047 0.0420 0.0346 226 GLN A N 1154 C CA . GLN A 146 ? 0.1393 0.1555 0.1960 0.0041 0.0404 0.0355 226 GLN A CA 1155 C C . GLN A 146 ? 0.1528 0.1695 0.1995 0.0029 0.0463 0.0349 226 GLN A C 1156 O O . GLN A 146 ? 0.1435 0.1617 0.1978 0.0025 0.0490 0.0362 226 GLN A O 1157 C CB . GLN A 146 ? 0.1410 0.1571 0.1941 0.0045 0.0304 0.0358 226 GLN A CB 1158 C CG . GLN A 146 ? 0.1521 0.1681 0.2159 0.0060 0.0236 0.0368 226 GLN A CG 1159 C CD . GLN A 146 ? 0.1774 0.1936 0.2374 0.0068 0.0136 0.0368 226 GLN A CD 1160 O OE1 . GLN A 146 ? 0.1951 0.2116 0.2459 0.0062 0.0116 0.0358 226 GLN A OE1 1161 N NE2 . GLN A 146 ? 0.1551 0.1713 0.2220 0.0084 0.0071 0.0377 226 GLN A NE2 1162 N N . GLU A 147 ? 0.1458 0.1612 0.1759 0.0024 0.0479 0.0331 227 GLU A N 1163 C CA . GLU A 147 ? 0.1371 0.1527 0.1550 0.0014 0.0516 0.0325 227 GLU A CA 1164 C C . GLU A 147 ? 0.1319 0.1481 0.1481 0.0010 0.0455 0.0334 227 GLU A C 1165 O O . GLU A 147 ? 0.1474 0.1643 0.1597 0.0003 0.0482 0.0340 227 GLU A O 1166 C CB . GLU A 147 ? 0.1508 0.1677 0.1729 0.0013 0.0608 0.0330 227 GLU A CB 1167 C CG . GLU A 147 ? 0.1682 0.1852 0.1990 0.0021 0.0667 0.0323 227 GLU A CG 1168 C CD . GLU A 147 ? 0.1800 0.1951 0.2005 0.0024 0.0686 0.0293 227 GLU A CD 1169 O OE1 . GLU A 147 ? 0.1762 0.1900 0.1827 0.0018 0.0654 0.0279 227 GLU A OE1 1170 O OE2 . GLU A 147 ? 0.1876 0.2026 0.2151 0.0032 0.0735 0.0282 227 GLU A OE2 1171 N N . SER A 148 ? 0.1508 0.1668 0.1700 0.0016 0.0372 0.0336 228 SER A N 1172 C CA . SER A 148 ? 0.1414 0.1577 0.1558 0.0015 0.0304 0.0333 228 SER A CA 1173 C C . SER A 148 ? 0.1467 0.1624 0.1577 0.0026 0.0223 0.0326 228 SER A C 1174 O O . SER A 148 ? 0.1584 0.1733 0.1704 0.0033 0.0225 0.0328 228 SER A O 1175 C CB . SER A 148 ? 0.1359 0.1535 0.1641 0.0013 0.0289 0.0348 228 SER A CB 1176 O OG . SER A 148 ? 0.1492 0.1674 0.1935 0.0022 0.0258 0.0357 228 SER A OG 1177 N N . GLU A 149 ? 0.1294 0.1454 0.1360 0.0030 0.0155 0.0318 229 GLU A N 1178 C CA . GLU A 149 ? 0.1232 0.1389 0.1227 0.0042 0.0084 0.0311 229 GLU A CA 1179 C C . GLU A 149 ? 0.1372 0.1531 0.1488 0.0057 0.0034 0.0322 229 GLU A C 1180 O O . GLU A 149 ? 0.1458 0.1626 0.1722 0.0060 0.0016 0.0328 229 GLU A O 1181 C CB . GLU A 149 ? 0.1318 0.1479 0.1228 0.0046 0.0024 0.0295 229 GLU A CB 1182 C CG . GLU A 149 ? 0.1484 0.1655 0.1512 0.0055 -0.0044 0.0291 229 GLU A CG 1183 C CD . GLU A 149 ? 0.1949 0.2125 0.1885 0.0063 -0.0112 0.0268 229 GLU A CD 1184 O OE1 . GLU A 149 ? 0.1817 0.1999 0.1835 0.0072 -0.0176 0.0256 229 GLU A OE1 1185 O OE2 . GLU A 149 ? 0.1898 0.2071 0.1683 0.0062 -0.0101 0.0258 229 GLU A OE2 1186 N N . CYS A 150 ? 0.1528 0.1679 0.1586 0.0067 0.0013 0.0327 230 CYS A N 1187 C CA . CYS A 150 ? 0.1503 0.1656 0.1648 0.0085 -0.0050 0.0339 230 CYS A CA 1188 C C . CYS A 150 ? 0.1503 0.1665 0.1599 0.0100 -0.0143 0.0327 230 CYS A C 1189 O O . CYS A 150 ? 0.1546 0.1713 0.1565 0.0095 -0.0152 0.0308 230 CYS A O 1190 C CB . CYS A 150 ? 0.1806 0.1945 0.1916 0.0091 -0.0036 0.0355 230 CYS A CB 1191 S SG . CYS A 150 ? 0.1867 0.1995 0.1779 0.0083 -0.0001 0.0351 230 CYS A SG 1192 N N . GLN A 151 ? 0.1847 0.2012 0.1991 0.0121 -0.0214 0.0335 231 GLN A N 1193 C CA . GLN A 151 ? 0.1705 0.1881 0.1807 0.0140 -0.0306 0.0319 231 GLN A CA 1194 C C . GLN A 151 ? 0.2016 0.2191 0.2043 0.0162 -0.0359 0.0335 231 GLN A C 1195 O O . GLN A 151 ? 0.2181 0.2348 0.2265 0.0167 -0.0345 0.0361 231 GLN A O 1196 C CB . GLN A 151 ? 0.2119 0.2306 0.2388 0.0145 -0.0359 0.0308 231 GLN A CB 1197 C CG . GLN A 151 ? 0.1682 0.1872 0.2040 0.0123 -0.0306 0.0300 231 GLN A CG 1198 C CD . GLN A 151 ? 0.1854 0.2044 0.2090 0.0115 -0.0300 0.0278 231 GLN A CD 1199 O OE1 . GLN A 151 ? 0.2012 0.2205 0.2120 0.0128 -0.0351 0.0261 231 GLN A OE1 1200 N NE2 . GLN A 151 ? 0.1635 0.1823 0.1911 0.0094 -0.0236 0.0281 231 GLN A NE2 1201 N N . CYS A 152 ? 0.1981 0.2165 0.1880 0.0178 -0.0417 0.0320 232 CYS A N 1202 C CA . CYS A 152 ? 0.2189 0.2375 0.1989 0.0202 -0.0462 0.0339 232 CYS A CA 1203 C C . CYS A 152 ? 0.2511 0.2713 0.2288 0.0231 -0.0566 0.0317 232 CYS A C 1204 O O . CYS A 152 ? 0.2310 0.2521 0.2046 0.0232 -0.0592 0.0281 232 CYS A O 1205 C CB . CYS A 152 ? 0.2421 0.2603 0.2047 0.0195 -0.0416 0.0346 232 CYS A CB 1206 S SG . CYS A 152 ? 0.2289 0.2452 0.1921 0.0162 -0.0300 0.0360 232 CYS A SG 1207 N N . ILE A 153 ? 0.2114 0.2318 0.1918 0.0257 -0.0627 0.0337 233 ILE A N 1208 C CA . ILE A 153 ? 0.2361 0.2582 0.2141 0.0289 -0.0733 0.0315 233 ILE A CA 1209 C C . ILE A 153 ? 0.2585 0.2810 0.2234 0.0319 -0.0771 0.0345 233 ILE A C 1210 O O . ILE A 153 ? 0.2631 0.2847 0.2323 0.0324 -0.0763 0.0388 233 ILE A O 1211 C CB . ILE A 153 ? 0.2796 0.3021 0.2769 0.0297 -0.0792 0.0305 233 ILE A CB 1212 C CG1 . ILE A 153 ? 0.2517 0.2738 0.2633 0.0267 -0.0745 0.0285 233 ILE A CG1 1213 C CG2 . ILE A 153 ? 0.3069 0.3311 0.3013 0.0333 -0.0908 0.0273 233 ILE A CG2 1214 C CD1 . ILE A 153 ? 0.2628 0.2856 0.2954 0.0273 -0.0799 0.0275 233 ILE A CD1 1215 N N . ASP A 154 ? 0.2283 0.2524 0.1776 0.0339 -0.0812 0.0324 234 ASP A N 1216 C CA . ASP A 154 ? 0.2619 0.2869 0.1960 0.0369 -0.0842 0.0354 234 ASP A CA 1217 C C . ASP A 154 ? 0.2653 0.2888 0.1950 0.0354 -0.0763 0.0411 234 ASP A C 1218 O O . ASP A 154 ? 0.3054 0.3288 0.2310 0.0376 -0.0786 0.0456 234 ASP A O 1219 C CB . ASP A 154 ? 0.2903 0.3163 0.2285 0.0407 -0.0946 0.0359 234 ASP A CB 1220 C CG . ASP A 154 ? 0.3248 0.3525 0.2648 0.0428 -0.1034 0.0297 234 ASP A CG 1221 O OD1 . ASP A 154 ? 0.3720 0.4007 0.3020 0.0427 -0.1030 0.0257 234 ASP A OD1 1222 O OD2 . ASP A 154 ? 0.3813 0.4093 0.3335 0.0445 -0.1111 0.0286 234 ASP A OD2 1223 N N . GLY A 155 ? 0.2560 0.2782 0.1870 0.0318 -0.0673 0.0409 235 GLY A N 1224 C CA . GLY A 155 ? 0.2329 0.2535 0.1600 0.0302 -0.0595 0.0453 235 GLY A CA 1225 C C . GLY A 155 ? 0.2255 0.2438 0.1679 0.0283 -0.0550 0.0479 235 GLY A C 1226 O O . GLY A 155 ? 0.2244 0.2412 0.1655 0.0265 -0.0481 0.0508 235 GLY A O 1227 N N . THR A 156 ? 0.2624 0.2807 0.2200 0.0288 -0.0590 0.0469 236 THR A N 1228 C CA . THR A 156 ? 0.2285 0.2450 0.2020 0.0271 -0.0546 0.0488 236 THR A CA 1229 C C . THR A 156 ? 0.2150 0.2312 0.1987 0.0243 -0.0495 0.0452 236 THR A C 1230 O O . THR A 156 ? 0.2197 0.2372 0.2098 0.0246 -0.0538 0.0420 236 THR A O 1231 C CB . THR A 156 ? 0.2597 0.2763 0.2455 0.0296 -0.0618 0.0507 236 THR A CB 1232 O OG1 . THR A 156 ? 0.2917 0.3085 0.2673 0.0325 -0.0667 0.0546 236 THR A OG1 1233 C CG2 . THR A 156 ? 0.2252 0.2401 0.2278 0.0280 -0.0565 0.0526 236 THR A CG2 1234 N N . CYS A 157 ? 0.2182 0.2329 0.2037 0.0217 -0.0405 0.0459 237 CYS A N 1235 C CA . CYS A 157 ? 0.1971 0.2116 0.1908 0.0191 -0.0346 0.0431 237 CYS A CA 1236 C C . CYS A 157 ? 0.1995 0.2133 0.2114 0.0187 -0.0323 0.0442 237 CYS A C 1237 O O . CYS A 157 ? 0.2038 0.2164 0.2203 0.0194 -0.0318 0.0472 237 CYS A O 1238 C CB . CYS A 157 ? 0.2024 0.2159 0.1862 0.0167 -0.0262 0.0425 237 CYS A CB 1239 S SG . CYS A 157 ? 0.2088 0.2235 0.1716 0.0171 -0.0280 0.0412 237 CYS A SG 1240 N N . VAL A 158 ? 0.1946 0.2091 0.2175 0.0175 -0.0307 0.0419 238 VAL A N 1241 C CA . VAL A 158 ? 0.2114 0.2259 0.2532 0.0171 -0.0284 0.0424 238 VAL A CA 1242 C C . VAL A 158 ? 0.1805 0.1946 0.2253 0.0145 -0.0186 0.0411 238 VAL A C 1243 O O . VAL A 158 ? 0.1892 0.2040 0.2278 0.0132 -0.0167 0.0390 238 VAL A O 1244 C CB . VAL A 158 ? 0.2909 0.3072 0.3446 0.0183 -0.0359 0.0410 238 VAL A CB 1245 C CG1 . VAL A 158 ? 0.3353 0.3520 0.4099 0.0176 -0.0326 0.0414 238 VAL A CG1 1246 C CG2 . VAL A 158 ? 0.3094 0.3262 0.3600 0.0214 -0.0462 0.0421 238 VAL A CG2 1247 N N . VAL A 159 ? 0.1938 0.2070 0.2481 0.0139 -0.0125 0.0422 239 VAL A N 1248 C CA . VAL A 159 ? 0.1739 0.1869 0.2305 0.0118 -0.0028 0.0408 239 VAL A CA 1249 C C . VAL A 159 ? 0.1873 0.2004 0.2621 0.0119 0.0016 0.0416 239 VAL A C 1250 O O . VAL A 159 ? 0.1690 0.1813 0.2504 0.0132 -0.0001 0.0433 239 VAL A O 1251 C CB . VAL A 159 ? 0.1904 0.2018 0.2317 0.0106 0.0030 0.0403 239 VAL A CB 1252 C CG1 . VAL A 159 ? 0.1755 0.1851 0.2178 0.0115 0.0035 0.0423 239 VAL A CG1 1253 C CG2 . VAL A 159 ? 0.1645 0.1759 0.2056 0.0087 0.0123 0.0384 239 VAL A CG2 1254 N N . ALA A 160 ? 0.1593 0.1737 0.2427 0.0107 0.0071 0.0405 240 ALA A N 1255 C CA . ALA A 160 ? 0.1664 0.1815 0.2677 0.0109 0.0121 0.0410 240 ALA A CA 1256 C C . ALA A 160 ? 0.1753 0.1893 0.2727 0.0099 0.0222 0.0399 240 ALA A C 1257 O O . ALA A 160 ? 0.1870 0.2007 0.2712 0.0086 0.0269 0.0384 240 ALA A O 1258 C CB . ALA A 160 ? 0.1492 0.1666 0.2629 0.0102 0.0130 0.0408 240 ALA A CB 1259 N N . VAL A 161 ? 0.1804 0.1938 0.2893 0.0108 0.0251 0.0405 241 VAL A N 1260 C CA . VAL A 161 ? 0.1699 0.1821 0.2760 0.0103 0.0337 0.0389 241 VAL A CA 1261 C C . VAL A 161 ? 0.1824 0.1957 0.3074 0.0110 0.0392 0.0388 241 VAL A C 1262 O O . VAL A 161 ? 0.2180 0.2320 0.3581 0.0122 0.0345 0.0405 241 VAL A O 1263 C CB . VAL A 161 ? 0.2165 0.2260 0.3151 0.0109 0.0310 0.0395 241 VAL A CB 1264 C CG1 . VAL A 161 ? 0.2779 0.2859 0.3796 0.0109 0.0388 0.0378 241 VAL A CG1 1265 C CG2 . VAL A 161 ? 0.1886 0.1972 0.2672 0.0100 0.0281 0.0392 241 VAL A CG2 1266 N N . THR A 162 ? 0.1642 0.1777 0.2881 0.0104 0.0489 0.0366 242 THR A N 1267 C CA . THR A 162 ? 0.1898 0.2047 0.3308 0.0112 0.0554 0.0361 242 THR A CA 1268 C C . THR A 162 ? 0.2144 0.2276 0.3521 0.0116 0.0627 0.0334 242 THR A C 1269 O O . THR A 162 ? 0.1888 0.2006 0.3104 0.0108 0.0658 0.0312 242 THR A O 1270 C CB . THR A 162 ? 0.1737 0.1916 0.3199 0.0105 0.0615 0.0361 242 THR A CB 1271 O OG1 . THR A 162 ? 0.1923 0.2117 0.3431 0.0101 0.0544 0.0384 242 THR A OG1 1272 C CG2 . THR A 162 ? 0.1940 0.2138 0.3589 0.0116 0.0688 0.0358 242 THR A CG2 1273 N N . ASP A 163 ? 0.1825 0.1958 0.3363 0.0130 0.0651 0.0331 243 ASP A N 1274 C CA . ASP A 163 ? 0.2041 0.2159 0.3578 0.0136 0.0723 0.0299 243 ASP A CA 1275 C C . ASP A 163 ? 0.2090 0.2231 0.3823 0.0149 0.0785 0.0293 243 ASP A C 1276 O O . ASP A 163 ? 0.2071 0.2223 0.3971 0.0158 0.0743 0.0318 243 ASP A O 1277 C CB . ASP A 163 ? 0.2119 0.2202 0.3646 0.0143 0.0671 0.0304 243 ASP A CB 1278 C CG . ASP A 163 ? 0.2291 0.2352 0.3767 0.0145 0.0736 0.0265 243 ASP A CG 1279 O OD1 . ASP A 163 ? 0.2271 0.2345 0.3735 0.0146 0.0823 0.0229 243 ASP A OD1 1280 O OD2 . ASP A 163 ? 0.2285 0.2316 0.3731 0.0146 0.0698 0.0269 243 ASP A OD2 1281 N N . GLY A 164 ? 0.2022 0.2174 0.3732 0.0151 0.0885 0.0261 244 GLY A N 1282 C CA . GLY A 164 ? 0.2488 0.2667 0.4377 0.0165 0.0956 0.0254 244 GLY A CA 1283 C C . GLY A 164 ? 0.2732 0.2942 0.4578 0.0162 0.1047 0.0244 244 GLY A C 1284 O O . GLY A 164 ? 0.2480 0.2689 0.4161 0.0148 0.1049 0.0246 244 GLY A O 1285 N N . PRO A 165 ? 0.2484 0.2723 0.4485 0.0175 0.1123 0.0238 245 PRO A N 1286 C CA . PRO A 165 ? 0.2240 0.2511 0.4198 0.0175 0.1224 0.0231 245 PRO A CA 1287 C C . PRO A 165 ? 0.2448 0.2741 0.4394 0.0160 0.1204 0.0274 245 PRO A C 1288 O O . PRO A 165 ? 0.2472 0.2765 0.4499 0.0151 0.1118 0.0307 245 PRO A O 1289 C CB . PRO A 165 ? 0.2676 0.2974 0.4841 0.0195 0.1299 0.0223 245 PRO A CB 1290 C CG . PRO A 165 ? 0.2662 0.2951 0.5009 0.0200 0.1217 0.0243 245 PRO A CG 1291 C CD . PRO A 165 ? 0.2693 0.2937 0.4912 0.0192 0.1126 0.0238 245 PRO A CD 1292 N N . ALA A 166 ? 0.2662 0.2976 0.4509 0.0157 0.1284 0.0272 246 ALA A N 1293 C CA . ALA A 166 ? 0.2799 0.3140 0.4675 0.0145 0.1291 0.0314 246 ALA A CA 1294 C C . ALA A 166 ? 0.3304 0.3687 0.5395 0.0157 0.1368 0.0332 246 ALA A C 1295 O O . ALA A 166 ? 0.3789 0.4182 0.5932 0.0175 0.1448 0.0304 246 ALA A O 1296 C CB . ALA A 166 ? 0.3322 0.3664 0.4987 0.0138 0.1340 0.0310 246 ALA A CB 1297 N N . ALA A 167 ? 0.3212 0.3618 0.5433 0.0146 0.1344 0.0377 247 ALA A N 1298 C CA . ALA A 167 ? 0.3243 0.3692 0.5684 0.0154 0.1416 0.0402 247 ALA A CA 1299 C C . ALA A 167 ? 0.3480 0.3935 0.6114 0.0172 0.1420 0.0383 247 ALA A C 1300 O O . ALA A 167 ? 0.3681 0.4169 0.6452 0.0187 0.1515 0.0382 247 ALA A O 1301 C CB . ALA A 167 ? 0.3089 0.3567 0.5457 0.0161 0.1546 0.0406 247 ALA A CB 1302 N N . ASN A 168 ? 0.2778 0.3200 0.5421 0.0172 0.1318 0.0370 248 ASN A N 1303 C CA . ASN A 168 ? 0.3174 0.3597 0.6017 0.0188 0.1293 0.0361 248 ASN A CA 1304 C C . ASN A 168 ? 0.3261 0.3650 0.6092 0.0181 0.1153 0.0369 248 ASN A C 1305 O O . ASN A 168 ? 0.3346 0.3714 0.6014 0.0166 0.1089 0.0377 248 ASN A O 1306 C CB . ASN A 168 ? 0.2945 0.3358 0.5754 0.0208 0.1368 0.0314 248 ASN A CB 1307 C CG . ASN A 168 ? 0.3883 0.4323 0.6944 0.0228 0.1413 0.0309 248 ASN A CG 1308 O OD1 . ASN A 168 ? 0.3888 0.4342 0.7151 0.0227 0.1354 0.0338 248 ASN A OD1 1309 N ND2 . ASN A 168 ? 0.4507 0.4956 0.7559 0.0247 0.1516 0.0270 248 ASN A ND2 1310 N N . SER A 169 ? 0.2755 0.3141 0.5759 0.0194 0.1106 0.0368 249 SER A N 1311 C CA . SER A 169 ? 0.2819 0.3176 0.5824 0.0192 0.0974 0.0380 249 SER A CA 1312 C C . SER A 169 ? 0.2983 0.3295 0.5762 0.0190 0.0942 0.0358 249 SER A C 1313 O O . SER A 169 ? 0.3035 0.3332 0.5770 0.0200 0.1001 0.0326 249 SER A O 1314 C CB . SER A 169 ? 0.3672 0.4036 0.6916 0.0210 0.0939 0.0385 249 SER A CB 1315 O OG . SER A 169 ? 0.4240 0.4581 0.7495 0.0211 0.0807 0.0403 249 SER A OG 1316 N N . ALA A 170 ? 0.2572 0.2864 0.5214 0.0177 0.0852 0.0372 250 ALA A N 1317 C CA . ALA A 170 ? 0.2358 0.2610 0.4796 0.0173 0.0814 0.0357 250 ALA A CA 1318 C C . ALA A 170 ? 0.2294 0.2526 0.4733 0.0175 0.0685 0.0381 250 ALA A C 1319 O O . ALA A 170 ? 0.2283 0.2531 0.4875 0.0179 0.0624 0.0404 250 ALA A O 1320 C CB . ALA A 170 ? 0.2328 0.2577 0.4548 0.0156 0.0848 0.0348 250 ALA A CB 1321 N N . ASP A 171 ? 0.2148 0.2345 0.4416 0.0172 0.0643 0.0375 251 ASP A N 1322 C CA . ASP A 171 ? 0.1927 0.2107 0.4166 0.0175 0.0525 0.0400 251 ASP A CA 1323 C C . ASP A 171 ? 0.2042 0.2221 0.4103 0.0159 0.0480 0.0406 251 ASP A C 1324 O O . ASP A 171 ? 0.2227 0.2397 0.4118 0.0147 0.0528 0.0388 251 ASP A O 1325 C CB . ASP A 171 ? 0.1809 0.1952 0.3985 0.0183 0.0502 0.0398 251 ASP A CB 1326 C CG . ASP A 171 ? 0.2723 0.2863 0.5091 0.0201 0.0520 0.0397 251 ASP A CG 1327 O OD1 . ASP A 171 ? 0.2505 0.2614 0.4854 0.0210 0.0487 0.0404 251 ASP A OD1 1328 O OD2 . ASP A 171 ? 0.2804 0.2972 0.5348 0.0208 0.0567 0.0392 251 ASP A OD2 1329 N N . TYR A 172 ? 0.1898 0.2085 0.4001 0.0161 0.0385 0.0429 252 TYR A N 1330 C CA . TYR A 172 ? 0.1862 0.2049 0.3814 0.0150 0.0331 0.0432 252 TYR A CA 1331 C C . TYR A 172 ? 0.2236 0.2405 0.4132 0.0161 0.0218 0.0450 252 TYR A C 1332 O O . TYR A 172 ? 0.2169 0.2343 0.4206 0.0177 0.0155 0.0467 252 TYR A O 1333 C CB . TYR A 172 ? 0.2189 0.2407 0.4250 0.0143 0.0325 0.0438 252 TYR A CB 1334 C CG . TYR A 172 ? 0.1991 0.2233 0.4214 0.0142 0.0422 0.0435 252 TYR A CG 1335 C CD1 . TYR A 172 ? 0.2281 0.2526 0.4420 0.0133 0.0532 0.0418 252 TYR A CD1 1336 C CD2 . TYR A 172 ? 0.2627 0.2893 0.5088 0.0152 0.0406 0.0447 252 TYR A CD2 1337 C CE1 . TYR A 172 ? 0.2282 0.2552 0.4557 0.0135 0.0627 0.0415 252 TYR A CE1 1338 C CE2 . TYR A 172 ? 0.2319 0.2611 0.4931 0.0152 0.0502 0.0445 252 TYR A CE2 1339 C CZ . TYR A 172 ? 0.2543 0.2837 0.5055 0.0144 0.0615 0.0430 252 TYR A CZ 1340 O OH . TYR A 172 ? 0.2653 0.2975 0.5302 0.0147 0.0718 0.0429 252 TYR A OH 1341 N N . ARG A 173 ? 0.1756 0.1907 0.3447 0.0155 0.0193 0.0448 253 ARG A N 1342 C CA . ARG A 173 ? 0.1744 0.1881 0.3362 0.0167 0.0093 0.0467 253 ARG A CA 1343 C C . ARG A 173 ? 0.1764 0.1904 0.3215 0.0160 0.0045 0.0462 253 ARG A C 1344 O O . ARG A 173 ? 0.2022 0.2164 0.3373 0.0143 0.0099 0.0444 253 ARG A O 1345 C CB . ARG A 173 ? 0.1981 0.2089 0.3517 0.0171 0.0111 0.0474 253 ARG A CB 1346 C CG . ARG A 173 ? 0.2083 0.2183 0.3785 0.0182 0.0147 0.0479 253 ARG A CG 1347 C CD . ARG A 173 ? 0.2089 0.2156 0.3716 0.0186 0.0154 0.0489 253 ARG A CD 1348 N NE . ARG A 173 ? 0.2197 0.2255 0.3993 0.0200 0.0177 0.0494 253 ARG A NE 1349 C CZ . ARG A 173 ? 0.2781 0.2810 0.4563 0.0203 0.0202 0.0498 253 ARG A CZ 1350 N NH1 . ARG A 173 ? 0.2500 0.2507 0.4108 0.0193 0.0208 0.0498 253 ARG A NH1 1351 N NH2 . ARG A 173 ? 0.2880 0.2901 0.4834 0.0217 0.0222 0.0501 253 ARG A NH2 1352 N N . VAL A 174 ? 0.1745 0.1883 0.3164 0.0174 -0.0056 0.0478 254 VAL A N 1353 C CA . VAL A 174 ? 0.1710 0.1845 0.2941 0.0172 -0.0105 0.0474 254 VAL A CA 1354 C C . VAL A 174 ? 0.2145 0.2259 0.3251 0.0183 -0.0133 0.0495 254 VAL A C 1355 O O . VAL A 174 ? 0.2006 0.2112 0.3188 0.0200 -0.0171 0.0520 254 VAL A O 1356 C CB . VAL A 174 ? 0.1919 0.2074 0.3192 0.0184 -0.0202 0.0471 254 VAL A CB 1357 C CG1 . VAL A 174 ? 0.1605 0.1756 0.2678 0.0187 -0.0256 0.0465 254 VAL A CG1 1358 C CG2 . VAL A 174 ? 0.1799 0.1974 0.3197 0.0170 -0.0169 0.0453 254 VAL A CG2 1359 N N . TYR A 175 ? 0.1846 0.1951 0.2765 0.0172 -0.0111 0.0487 255 TYR A N 1360 C CA . TYR A 175 ? 0.2121 0.2207 0.2912 0.0179 -0.0134 0.0510 255 TYR A CA 1361 C C . TYR A 175 ? 0.2148 0.2244 0.2793 0.0188 -0.0207 0.0511 255 TYR A C 1362 O O . TYR A 175 ? 0.1997 0.2106 0.2580 0.0177 -0.0204 0.0484 255 TYR A O 1363 C CB . TYR A 175 ? 0.2228 0.2296 0.2928 0.0161 -0.0047 0.0499 255 TYR A CB 1364 C CG . TYR A 175 ? 0.2079 0.2130 0.2899 0.0160 0.0012 0.0504 255 TYR A CG 1365 C CD1 . TYR A 175 ? 0.2354 0.2382 0.3159 0.0167 0.0008 0.0530 255 TYR A CD1 1366 C CD2 . TYR A 175 ? 0.2174 0.2233 0.3127 0.0153 0.0072 0.0482 255 TYR A CD2 1367 C CE1 . TYR A 175 ? 0.2000 0.2011 0.2923 0.0168 0.0059 0.0530 255 TYR A CE1 1368 C CE2 . TYR A 175 ? 0.2118 0.2164 0.3184 0.0155 0.0127 0.0480 255 TYR A CE2 1369 C CZ . TYR A 175 ? 0.2447 0.2467 0.3499 0.0163 0.0118 0.0502 255 TYR A CZ 1370 O OH . TYR A 175 ? 0.2183 0.2188 0.3355 0.0165 0.0170 0.0496 255 TYR A OH 1371 N N . TRP A 176 ? 0.1769 0.1859 0.2363 0.0209 -0.0272 0.0542 256 TRP A N 1372 C CA . TRP A 176 ? 0.1882 0.1982 0.2321 0.0222 -0.0338 0.0545 256 TRP A CA 1373 C C . TRP A 176 ? 0.1990 0.2075 0.2278 0.0217 -0.0303 0.0566 256 TRP A C 1374 O O . TRP A 176 ? 0.2137 0.2203 0.2452 0.0222 -0.0289 0.0599 256 TRP A O 1375 C CB . TRP A 176 ? 0.1873 0.1983 0.2355 0.0254 -0.0442 0.0568 256 TRP A CB 1376 C CG . TRP A 176 ? 0.1842 0.1971 0.2454 0.0260 -0.0494 0.0542 256 TRP A CG 1377 C CD1 . TRP A 176 ? 0.2059 0.2207 0.2623 0.0270 -0.0562 0.0515 256 TRP A CD1 1378 C CD2 . TRP A 176 ? 0.1881 0.2013 0.2704 0.0257 -0.0481 0.0538 256 TRP A CD2 1379 N NE1 . TRP A 176 ? 0.1970 0.2131 0.2707 0.0272 -0.0596 0.0497 256 TRP A NE1 1380 C CE2 . TRP A 176 ? 0.2166 0.2320 0.3065 0.0264 -0.0544 0.0512 256 TRP A CE2 1381 C CE3 . TRP A 176 ? 0.2088 0.2209 0.3051 0.0250 -0.0421 0.0552 256 TRP A CE3 1382 C CZ2 . TRP A 176 ? 0.1961 0.2126 0.3074 0.0262 -0.0548 0.0504 256 TRP A CZ2 1383 C CZ3 . TRP A 176 ? 0.1826 0.1958 0.2992 0.0250 -0.0422 0.0543 256 TRP A CZ3 1384 C CH2 . TRP A 176 ? 0.1900 0.2055 0.3142 0.0256 -0.0484 0.0521 256 TRP A CH2 1385 N N . ILE A 177 ? 0.1829 0.1920 0.1968 0.0206 -0.0287 0.0545 257 ILE A N 1386 C CA . ILE A 177 ? 0.1926 0.2005 0.1933 0.0197 -0.0245 0.0560 257 ILE A CA 1387 C C . ILE A 177 ? 0.2158 0.2253 0.1998 0.0209 -0.0293 0.0561 257 ILE A C 1388 O O . ILE A 177 ? 0.2217 0.2329 0.2013 0.0208 -0.0316 0.0527 257 ILE A O 1389 C CB . ILE A 177 ? 0.1848 0.1918 0.1843 0.0166 -0.0153 0.0529 257 ILE A CB 1390 C CG1 . ILE A 177 ? 0.1959 0.2018 0.2120 0.0158 -0.0103 0.0521 257 ILE A CG1 1391 C CG2 . ILE A 177 ? 0.2099 0.2156 0.1977 0.0156 -0.0111 0.0543 257 ILE A CG2 1392 C CD1 . ILE A 177 ? 0.1752 0.1806 0.1906 0.0132 -0.0016 0.0487 257 ILE A CD1 1393 N N . ARG A 178 ? 0.2148 0.2238 0.1899 0.0222 -0.0307 0.0602 258 ARG A N 1394 C CA . ARG A 178 ? 0.2414 0.2521 0.2004 0.0238 -0.0351 0.0608 258 ARG A CA 1395 C C . ARG A 178 ? 0.2290 0.2390 0.1766 0.0224 -0.0293 0.0625 258 ARG A C 1396 O O . ARG A 178 ? 0.2443 0.2524 0.1948 0.0222 -0.0263 0.0665 258 ARG A O 1397 C CB . ARG A 178 ? 0.2786 0.2901 0.2370 0.0274 -0.0435 0.0646 258 ARG A CB 1398 C CG . ARG A 178 ? 0.2944 0.3082 0.2359 0.0297 -0.0486 0.0648 258 ARG A CG 1399 C CD . ARG A 178 ? 0.2725 0.2874 0.2137 0.0337 -0.0581 0.0675 258 ARG A CD 1400 N NE . ARG A 178 ? 0.3070 0.3245 0.2312 0.0362 -0.0629 0.0668 258 ARG A NE 1401 C CZ . ARG A 178 ? 0.2891 0.3088 0.2099 0.0374 -0.0682 0.0617 258 ARG A CZ 1402 N NH1 . ARG A 178 ? 0.3004 0.3198 0.2343 0.0361 -0.0697 0.0572 258 ARG A NH1 1403 N NH2 . ARG A 178 ? 0.3793 0.4013 0.2841 0.0399 -0.0721 0.0610 258 ARG A NH2 1404 N N . GLU A 179 ? 0.2234 0.2349 0.1593 0.0215 -0.0276 0.0595 259 GLU A N 1405 C CA . GLU A 179 ? 0.2248 0.2360 0.1505 0.0200 -0.0221 0.0605 259 GLU A CA 1406 C C . GLU A 179 ? 0.2409 0.2493 0.1754 0.0174 -0.0148 0.0611 259 GLU A C 1407 O O . GLU A 179 ? 0.2667 0.2740 0.1981 0.0168 -0.0113 0.0642 259 GLU A O 1408 C CB . GLU A 179 ? 0.2553 0.2674 0.1702 0.0224 -0.0253 0.0655 259 GLU A CB 1409 C CG . GLU A 179 ? 0.3243 0.3394 0.2283 0.0251 -0.0321 0.0640 259 GLU A CG 1410 C CD . GLU A 179 ? 0.4763 0.4928 0.3693 0.0281 -0.0356 0.0693 259 GLU A CD 1411 O OE1 . GLU A 179 ? 0.4272 0.4428 0.3171 0.0274 -0.0310 0.0737 259 GLU A OE1 1412 O OE2 . GLU A 179 ? 0.5525 0.5709 0.4401 0.0313 -0.0429 0.0689 259 GLU A OE2 1413 N N . GLY A 180 ? 0.2069 0.2144 0.1528 0.0161 -0.0125 0.0579 260 GLY A N 1414 C CA . GLY A 180 ? 0.1844 0.1896 0.1383 0.0138 -0.0054 0.0570 260 GLY A CA 1415 C C . GLY A 180 ? 0.2221 0.2251 0.1884 0.0146 -0.0053 0.0606 260 GLY A C 1416 O O . GLY A 180 ? 0.2016 0.2025 0.1761 0.0130 0.0003 0.0595 260 GLY A O 1417 N N . LYS A 181 ? 0.2009 0.2043 0.1689 0.0172 -0.0118 0.0646 261 LYS A N 1418 C CA . LYS A 181 ? 0.2319 0.2332 0.2124 0.0182 -0.0125 0.0684 261 LYS A CA 1419 C C . LYS A 181 ? 0.2004 0.2022 0.1942 0.0195 -0.0163 0.0673 261 LYS A C 1420 O O . LYS A 181 ? 0.2135 0.2174 0.2050 0.0213 -0.0229 0.0669 261 LYS A O 1421 C CB . LYS A 181 ? 0.2835 0.2846 0.2576 0.0204 -0.0166 0.0748 261 LYS A CB 1422 C CG . LYS A 181 ? 0.3345 0.3351 0.2979 0.0191 -0.0122 0.0767 261 LYS A CG 1423 C CD . LYS A 181 ? 0.3411 0.3390 0.3125 0.0163 -0.0044 0.0749 261 LYS A CD 1424 C CE . LYS A 181 ? 0.3794 0.3766 0.3422 0.0150 -0.0004 0.0770 261 LYS A CE 1425 N NZ . LYS A 181 ? 0.5820 0.5772 0.5494 0.0160 -0.0009 0.0838 261 LYS A NZ 1426 N N . ILE A 182 ? 0.2132 0.2132 0.2216 0.0186 -0.0122 0.0665 262 ILE A N 1427 C CA . ILE A 182 ? 0.2378 0.2383 0.2610 0.0197 -0.0150 0.0656 262 ILE A CA 1428 C C . ILE A 182 ? 0.2275 0.2281 0.2546 0.0227 -0.0230 0.0705 262 ILE A C 1429 O O . ILE A 182 ? 0.2429 0.2415 0.2717 0.0235 -0.0231 0.0750 262 ILE A O 1430 C CB . ILE A 182 ? 0.2218 0.2205 0.2597 0.0183 -0.0081 0.0637 262 ILE A CB 1431 C CG1 . ILE A 182 ? 0.2161 0.2151 0.2497 0.0157 -0.0006 0.0584 262 ILE A CG1 1432 C CG2 . ILE A 182 ? 0.2288 0.2280 0.2841 0.0197 -0.0110 0.0638 262 ILE A CG2 1433 C CD1 . ILE A 182 ? 0.2392 0.2361 0.2823 0.0144 0.0071 0.0563 262 ILE A CD1 1434 N N . ILE A 183 ? 0.2164 0.2193 0.2445 0.0244 -0.0300 0.0696 263 ILE A N 1435 C CA . ILE A 183 ? 0.2286 0.2320 0.2594 0.0277 -0.0389 0.0737 263 ILE A CA 1436 C C . ILE A 183 ? 0.2398 0.2426 0.2914 0.0284 -0.0400 0.0741 263 ILE A C 1437 O O . ILE A 183 ? 0.2545 0.2559 0.3128 0.0302 -0.0429 0.0787 263 ILE A O 1438 C CB . ILE A 183 ? 0.2548 0.2611 0.2766 0.0294 -0.0466 0.0718 263 ILE A CB 1439 C CG1 . ILE A 183 ? 0.2557 0.2629 0.2573 0.0288 -0.0453 0.0712 263 ILE A CG1 1440 C CG2 . ILE A 183 ? 0.2736 0.2807 0.2982 0.0331 -0.0565 0.0755 263 ILE A CG2 1441 C CD1 . ILE A 183 ? 0.2847 0.2907 0.2762 0.0298 -0.0447 0.0769 263 ILE A CD1 1442 N N . LYS A 184 ? 0.2238 0.2276 0.2861 0.0270 -0.0372 0.0696 264 LYS A N 1443 C CA . LYS A 184 ? 0.2444 0.2481 0.3274 0.0276 -0.0376 0.0694 264 LYS A CA 1444 C C . LYS A 184 ? 0.2542 0.2590 0.3458 0.0253 -0.0312 0.0643 264 LYS A C 1445 O O . LYS A 184 ? 0.2054 0.2112 0.2867 0.0235 -0.0281 0.0611 264 LYS A O 1446 C CB . LYS A 184 ? 0.2536 0.2592 0.3423 0.0306 -0.0484 0.0709 264 LYS A CB 1447 C CG . LYS A 184 ? 0.2857 0.2939 0.3665 0.0307 -0.0533 0.0673 264 LYS A CG 1448 C CD . LYS A 184 ? 0.2945 0.3047 0.3845 0.0336 -0.0640 0.0675 264 LYS A CD 1449 C CE . LYS A 184 ? 0.2971 0.3083 0.4092 0.0328 -0.0626 0.0650 264 LYS A CE 1450 N NZ . LYS A 184 ? 0.3014 0.3146 0.4239 0.0354 -0.0734 0.0648 264 LYS A NZ 1451 N N . TYR A 185 ? 0.2329 0.2376 0.3435 0.0254 -0.0289 0.0638 265 TYR A N 1452 C CA . TYR A 185 ? 0.1820 0.1885 0.3027 0.0238 -0.0240 0.0597 265 TYR A CA 1453 C C . TYR A 185 ? 0.2312 0.2392 0.3722 0.0254 -0.0288 0.0602 265 TYR A C 1454 O O . TYR A 185 ? 0.2430 0.2504 0.3913 0.0276 -0.0346 0.0635 265 TYR A O 1455 C CB . TYR A 185 ? 0.2032 0.2083 0.3267 0.0217 -0.0128 0.0576 265 TYR A CB 1456 C CG . TYR A 185 ? 0.2073 0.2106 0.3461 0.0226 -0.0100 0.0591 265 TYR A CG 1457 C CD1 . TYR A 185 ? 0.2497 0.2544 0.4088 0.0232 -0.0087 0.0582 265 TYR A CD1 1458 C CD2 . TYR A 185 ? 0.2549 0.2554 0.3890 0.0228 -0.0084 0.0615 265 TYR A CD2 1459 C CE1 . TYR A 185 ? 0.2479 0.2512 0.4219 0.0241 -0.0060 0.0593 265 TYR A CE1 1460 C CE2 . TYR A 185 ? 0.2486 0.2473 0.3978 0.0237 -0.0060 0.0627 265 TYR A CE2 1461 C CZ . TYR A 185 ? 0.3243 0.3244 0.4933 0.0244 -0.0048 0.0615 265 TYR A CZ 1462 O OH . TYR A 185 ? 0.3049 0.3033 0.4898 0.0255 -0.0023 0.0623 265 TYR A OH 1463 N N . GLU A 186 ? 0.2002 0.2105 0.3506 0.0243 -0.0264 0.0571 266 GLU A N 1464 C CA . GLU A 186 ? 0.2050 0.2171 0.3775 0.0253 -0.0291 0.0570 266 GLU A CA 1465 C C . GLU A 186 ? 0.2456 0.2588 0.4301 0.0234 -0.0189 0.0544 266 GLU A C 1466 O O . GLU A 186 ? 0.2210 0.2347 0.3969 0.0214 -0.0130 0.0520 266 GLU A O 1467 C CB . GLU A 186 ? 0.1926 0.2071 0.3673 0.0264 -0.0388 0.0563 266 GLU A CB 1468 C CG . GLU A 186 ? 0.2570 0.2711 0.4234 0.0292 -0.0503 0.0588 266 GLU A CG 1469 C CD . GLU A 186 ? 0.2038 0.2203 0.3736 0.0305 -0.0604 0.0572 266 GLU A CD 1470 O OE1 . GLU A 186 ? 0.2860 0.3026 0.4473 0.0331 -0.0701 0.0587 266 GLU A OE1 1471 O OE2 . GLU A 186 ? 0.2360 0.2545 0.4170 0.0292 -0.0587 0.0543 266 GLU A OE2 1472 N N . ASN A 187 ? 0.1997 0.2133 0.4040 0.0243 -0.0166 0.0550 267 ASN A N 1473 C CA . ASN A 187 ? 0.2186 0.2339 0.4370 0.0230 -0.0079 0.0528 267 ASN A CA 1474 C C . ASN A 187 ? 0.2256 0.2440 0.4537 0.0228 -0.0122 0.0519 267 ASN A C 1475 O O . ASN A 187 ? 0.2360 0.2555 0.4744 0.0245 -0.0217 0.0531 267 ASN A O 1476 C CB . ASN A 187 ? 0.2142 0.2293 0.4521 0.0242 -0.0045 0.0536 267 ASN A CB 1477 C CG . ASN A 187 ? 0.2685 0.2804 0.4987 0.0243 0.0003 0.0540 267 ASN A CG 1478 O OD1 . ASN A 187 ? 0.3244 0.3345 0.5601 0.0261 -0.0041 0.0566 267 ASN A OD1 1479 N ND2 . ASN A 187 ? 0.2123 0.2233 0.4299 0.0224 0.0091 0.0515 267 ASN A ND2 1480 N N . VAL A 188 ? 0.2074 0.2272 0.4324 0.0207 -0.0057 0.0498 268 VAL A N 1481 C CA . VAL A 188 ? 0.2278 0.2503 0.4630 0.0203 -0.0092 0.0491 268 VAL A CA 1482 C C . VAL A 188 ? 0.2165 0.2413 0.4787 0.0213 -0.0095 0.0499 268 VAL A C 1483 O O . VAL A 188 ? 0.2177 0.2429 0.4903 0.0211 -0.0007 0.0498 268 VAL A O 1484 C CB . VAL A 188 ? 0.1966 0.2202 0.4254 0.0179 -0.0007 0.0475 268 VAL A CB 1485 C CG1 . VAL A 188 ? 0.2018 0.2280 0.4425 0.0173 -0.0047 0.0471 268 VAL A CG1 1486 C CG2 . VAL A 188 ? 0.1796 0.2010 0.3823 0.0169 -0.0002 0.0466 268 VAL A CG2 1487 N N . PRO A 189 ? 0.2192 0.2456 0.4929 0.0225 -0.0199 0.0503 269 PRO A N 1488 C CA . PRO A 189 ? 0.2383 0.2673 0.5395 0.0234 -0.0211 0.0508 269 PRO A CA 1489 C C . PRO A 189 ? 0.2857 0.3172 0.5997 0.0215 -0.0097 0.0501 269 PRO A C 1490 O O . PRO A 189 ? 0.2514 0.2833 0.5562 0.0196 -0.0053 0.0492 269 PRO A O 1491 C CB . PRO A 189 ? 0.3263 0.3567 0.6328 0.0244 -0.0338 0.0504 269 PRO A CB 1492 C CG . PRO A 189 ? 0.3397 0.3677 0.6222 0.0253 -0.0413 0.0503 269 PRO A CG 1493 C CD . PRO A 189 ? 0.2537 0.2797 0.5154 0.0234 -0.0314 0.0499 269 PRO A CD 1494 N N . LYS A 190 ? 0.3087 0.3418 0.6439 0.0222 -0.0047 0.0507 270 LYS A N 1495 C CA . LYS A 190 ? 0.2855 0.3214 0.6335 0.0207 0.0069 0.0504 270 LYS A CA 1496 C C . LYS A 190 ? 0.2666 0.3061 0.6420 0.0209 0.0035 0.0511 270 LYS A C 1497 O O . LYS A 190 ? 0.3033 0.3456 0.6950 0.0203 0.0129 0.0515 270 LYS A O 1498 C CB . LYS A 190 ? 0.3044 0.3397 0.6547 0.0211 0.0180 0.0501 270 LYS A CB 1499 C CG . LYS A 190 ? 0.3148 0.3470 0.6393 0.0204 0.0236 0.0490 270 LYS A CG 1500 C CD . LYS A 190 ? 0.3725 0.4044 0.7007 0.0208 0.0351 0.0478 270 LYS A CD 1501 C CE . LYS A 190 ? 0.3945 0.4240 0.6982 0.0197 0.0422 0.0461 270 LYS A CE 1502 N NZ . LYS A 190 ? 0.3653 0.3955 0.6727 0.0199 0.0552 0.0442 270 LYS A NZ 1503 N N . THR A 191 ? 0.2270 0.2666 0.6072 0.0220 -0.0098 0.0511 271 THR A N 1504 C CA . THR A 191 ? 0.2653 0.3082 0.6713 0.0222 -0.0151 0.0514 271 THR A CA 1505 C C . THR A 191 ? 0.2824 0.3276 0.6931 0.0197 -0.0091 0.0512 271 THR A C 1506 O O . THR A 191 ? 0.2612 0.3097 0.6965 0.0193 -0.0068 0.0520 271 THR A O 1507 C CB . THR A 191 ? 0.3149 0.3573 0.7212 0.0239 -0.0317 0.0507 271 THR A CB 1508 O OG1 . THR A 191 ? 0.3574 0.3973 0.7374 0.0234 -0.0362 0.0496 271 THR A OG1 1509 C CG2 . THR A 191 ? 0.3207 0.3619 0.7307 0.0267 -0.0382 0.0517 271 THR A CG2 1510 N N . LYS A 192 A 0.2488 0.2921 0.6364 0.0182 -0.0067 0.0506 272 LYS A N 1511 C CA . LYS A 192 A 0.2382 0.2832 0.6282 0.0159 -0.0007 0.0509 272 LYS A CA 1512 C C . LYS A 192 A 0.2347 0.2786 0.6063 0.0144 0.0124 0.0514 272 LYS A C 1513 O O . LYS A 192 A 0.2139 0.2601 0.5949 0.0133 0.0238 0.0527 272 LYS A O 1514 C CB . LYS A 192 A 0.2598 0.3040 0.6424 0.0154 -0.0117 0.0495 272 LYS A CB 1515 C CG . LYS A 192 A 0.2724 0.3181 0.6754 0.0169 -0.0246 0.0486 272 LYS A CG 1516 C CD . LYS A 192 A 0.3159 0.3604 0.7082 0.0170 -0.0365 0.0463 272 LYS A CD 1517 C CE . LYS A 192 A 0.3830 0.4290 0.7947 0.0188 -0.0503 0.0448 272 LYS A CE 1518 N NZ . LYS A 192 A 0.4073 0.4512 0.8012 0.0204 -0.0636 0.0420 272 LYS A NZ 1519 N N . ILE A 193 ? 0.2503 0.2909 0.5956 0.0145 0.0107 0.0502 272 ILE A N 1520 C CA . ILE A 193 ? 0.2042 0.2435 0.5303 0.0133 0.0219 0.0501 272 ILE A CA 1521 C C . ILE A 193 ? 0.2319 0.2716 0.5625 0.0140 0.0323 0.0502 272 ILE A C 1522 O O . ILE A 193 ? 0.2511 0.2896 0.5842 0.0157 0.0290 0.0498 272 ILE A O 1523 C CB . ILE A 193 ? 0.1986 0.2344 0.4964 0.0133 0.0170 0.0486 272 ILE A CB 1524 C CG1 . ILE A 193 ? 0.2293 0.2648 0.5205 0.0126 0.0082 0.0479 272 ILE A CG1 1525 C CG2 . ILE A 193 ? 0.2065 0.2410 0.4860 0.0124 0.0283 0.0482 272 ILE A CG2 1526 C CD1 . ILE A 193 ? 0.1808 0.2132 0.4472 0.0131 0.0011 0.0465 272 ILE A CD1 1527 N N . GLN A 194 ? 0.1625 0.2038 0.4934 0.0129 0.0448 0.0509 273 GLN A N 1528 C CA . GLN A 194 ? 0.2201 0.2620 0.5541 0.0138 0.0557 0.0504 273 GLN A CA 1529 C C . GLN A 194 ? 0.1775 0.2170 0.4859 0.0133 0.0629 0.0488 273 GLN A C 1530 O O . GLN A 194 ? 0.2306 0.2694 0.5364 0.0143 0.0693 0.0473 273 GLN A O 1531 C CB . GLN A 194 ? 0.2611 0.3073 0.6164 0.0135 0.0654 0.0521 273 GLN A CB 1532 C CG . GLN A 194 ? 0.3395 0.3883 0.7237 0.0142 0.0593 0.0534 273 GLN A CG 1533 C CD . GLN A 194 ? 0.3667 0.4150 0.7614 0.0164 0.0572 0.0523 273 GLN A CD 1534 O OE1 . GLN A 194 ? 0.4291 0.4787 0.8305 0.0173 0.0673 0.0518 273 GLN A OE1 1535 N NE2 . GLN A 194 ? 0.3252 0.3716 0.7214 0.0175 0.0441 0.0519 273 GLN A NE2 1536 N N . TYR A 195 ? 0.1935 0.2318 0.4836 0.0118 0.0614 0.0488 274 TYR A N 1537 C CA . TYR A 195 ? 0.1868 0.2227 0.4520 0.0113 0.0666 0.0471 274 TYR A CA 1538 C C . TYR A 195 ? 0.1719 0.2058 0.4186 0.0101 0.0596 0.0469 274 TYR A C 1539 O O . TYR A 195 ? 0.1832 0.2185 0.4349 0.0090 0.0566 0.0484 274 TYR A O 1540 C CB . TYR A 195 ? 0.2009 0.2388 0.4644 0.0109 0.0804 0.0473 274 TYR A CB 1541 C CG . TYR A 195 ? 0.2091 0.2447 0.4506 0.0111 0.0866 0.0446 274 TYR A CG 1542 C CD1 . TYR A 195 ? 0.2318 0.2674 0.4764 0.0125 0.0938 0.0425 274 TYR A CD1 1543 C CD2 . TYR A 195 ? 0.2391 0.2726 0.4577 0.0099 0.0849 0.0439 274 TYR A CD2 1544 C CE1 . TYR A 195 ? 0.2542 0.2877 0.4800 0.0128 0.0990 0.0395 274 TYR A CE1 1545 C CE2 . TYR A 195 ? 0.2107 0.2422 0.4104 0.0101 0.0901 0.0412 274 TYR A CE2 1546 C CZ . TYR A 195 ? 0.2380 0.2695 0.4416 0.0115 0.0970 0.0389 274 TYR A CZ 1547 O OH . TYR A 195 ? 0.2805 0.3101 0.4667 0.0118 0.1018 0.0357 274 TYR A OH 1548 N N . LEU A 196 ? 0.2075 0.2383 0.4335 0.0102 0.0574 0.0451 275 LEU A N 1549 C CA . LEU A 196 ? 0.1989 0.2280 0.4066 0.0092 0.0510 0.0447 275 LEU A CA 1550 C C . LEU A 196 ? 0.1894 0.2160 0.3741 0.0088 0.0554 0.0428 275 LEU A C 1551 O O . LEU A 196 ? 0.2171 0.2422 0.3987 0.0097 0.0574 0.0415 275 LEU A O 1552 C CB . LEU A 196 ? 0.2297 0.2576 0.4395 0.0101 0.0380 0.0448 275 LEU A CB 1553 C CG . LEU A 196 ? 0.2824 0.3084 0.4740 0.0098 0.0295 0.0440 275 LEU A CG 1554 C CD1 . LEU A 196 ? 0.2702 0.2969 0.4723 0.0107 0.0177 0.0445 275 LEU A CD1 1555 C CD2 . LEU A 196 ? 0.1933 0.2165 0.3678 0.0104 0.0287 0.0430 275 LEU A CD2 1556 N N . GLU A 197 ? 0.1608 0.1872 0.3312 0.0075 0.0571 0.0427 276 GLU A N 1557 C CA . GLU A 197 ? 0.1683 0.1925 0.3164 0.0071 0.0595 0.0408 276 GLU A CA 1558 C C . GLU A 197 ? 0.1483 0.1722 0.2828 0.0057 0.0567 0.0411 276 GLU A C 1559 O O . GLU A 197 ? 0.1347 0.1600 0.2774 0.0052 0.0539 0.0426 276 GLU A O 1560 C CB . GLU A 197 ? 0.2276 0.2520 0.3723 0.0073 0.0707 0.0394 276 GLU A CB 1561 C CG . GLU A 197 ? 0.2756 0.3020 0.4188 0.0066 0.0786 0.0403 276 GLU A CG 1562 C CD . GLU A 197 ? 0.2176 0.2448 0.3572 0.0072 0.0904 0.0386 276 GLU A CD 1563 O OE1 . GLU A 197 ? 0.2015 0.2307 0.3418 0.0069 0.0967 0.0401 276 GLU A OE1 1564 O OE2 . GLU A 197 ? 0.2459 0.2718 0.3825 0.0082 0.0937 0.0359 276 GLU A OE2 1565 N N . GLU A 198 ? 0.1444 0.1664 0.2590 0.0053 0.0572 0.0394 277 GLU A N 1566 C CA . GLU A 198 ? 0.1719 0.1936 0.2726 0.0041 0.0552 0.0394 277 GLU A CA 1567 C C . GLU A 198 ? 0.1474 0.1695 0.2537 0.0039 0.0460 0.0405 277 GLU A C 1568 O O . GLU A 198 ? 0.1550 0.1783 0.2633 0.0030 0.0467 0.0417 277 GLU A O 1569 C CB . GLU A 198 ? 0.1630 0.1860 0.2605 0.0033 0.0647 0.0401 277 GLU A CB 1570 C CG . GLU A 198 ? 0.1658 0.1880 0.2514 0.0037 0.0726 0.0379 277 GLU A CG 1571 C CD . GLU A 198 ? 0.1993 0.2230 0.2809 0.0033 0.0822 0.0387 277 GLU A CD 1572 O OE1 . GLU A 198 ? 0.2409 0.2666 0.3329 0.0029 0.0842 0.0416 277 GLU A OE1 1573 O OE2 . GLU A 198 ? 0.1884 0.2113 0.2567 0.0036 0.0876 0.0364 277 GLU A OE2 1574 N N . CYS A 199 ? 0.1396 0.1610 0.2484 0.0049 0.0371 0.0401 278 CYS A N 1575 C CA . CYS A 199 ? 0.1518 0.1738 0.2664 0.0051 0.0278 0.0404 278 CYS A CA 1576 C C . CYS A 199 ? 0.1531 0.1742 0.2517 0.0043 0.0245 0.0393 278 CYS A C 1577 O O . CYS A 199 ? 0.1438 0.1635 0.2249 0.0042 0.0248 0.0381 278 CYS A O 1578 C CB . CYS A 199 ? 0.1884 0.2097 0.3074 0.0067 0.0189 0.0401 278 CYS A CB 1579 S SG . CYS A 199 ? 0.1959 0.2186 0.3391 0.0078 0.0203 0.0415 278 CYS A SG 1580 N N . SER A 200 ? 0.1567 0.1789 0.2629 0.0038 0.0214 0.0399 279 SER A N 1581 C CA . SER A 200 ? 0.1495 0.1711 0.2443 0.0034 0.0163 0.0386 279 SER A CA 1582 C C . SER A 200 ? 0.1635 0.1853 0.2637 0.0047 0.0048 0.0373 279 SER A C 1583 O O . SER A 200 ? 0.1584 0.1814 0.2765 0.0050 0.0011 0.0378 279 SER A O 1584 C CB . SER A 200 ? 0.1480 0.1705 0.2475 0.0020 0.0208 0.0401 279 SER A CB 1585 O OG . SER A 200 ? 0.1509 0.1735 0.2444 0.0011 0.0314 0.0414 279 SER A OG 1586 N N . CYS A 201 ? 0.1812 0.2018 0.2659 0.0056 -0.0010 0.0354 280 CYS A N 1587 C CA . CYS A 201 ? 0.1543 0.1751 0.2414 0.0074 -0.0119 0.0340 280 CYS A CA 1588 C C . CYS A 201 ? 0.1923 0.2129 0.2680 0.0078 -0.0184 0.0315 280 CYS A C 1589 O O . CYS A 201 ? 0.1982 0.2182 0.2606 0.0068 -0.0147 0.0310 280 CYS A O 1590 C CB . CYS A 201 ? 0.1693 0.1893 0.2499 0.0089 -0.0137 0.0344 280 CYS A CB 1591 S SG . CYS A 201 ? 0.1791 0.1991 0.2723 0.0086 -0.0057 0.0368 280 CYS A SG 1592 N N . TYR A 202 ? 0.1423 0.1635 0.2238 0.0095 -0.0284 0.0298 281 TYR A N 1593 C CA . TYR A 202 ? 0.1581 0.1793 0.2294 0.0104 -0.0356 0.0268 281 TYR A CA 1594 C C . TYR A 202 ? 0.1718 0.1935 0.2450 0.0131 -0.0463 0.0250 281 TYR A C 1595 O O . TYR A 202 ? 0.1868 0.2089 0.2698 0.0140 -0.0477 0.0265 281 TYR A O 1596 C CB . TYR A 202 ? 0.1314 0.1530 0.2122 0.0092 -0.0360 0.0258 281 TYR A CB 1597 C CG . TYR A 202 ? 0.1328 0.1554 0.2367 0.0094 -0.0403 0.0259 281 TYR A CG 1598 C CD1 . TYR A 202 ? 0.1639 0.1871 0.2736 0.0112 -0.0514 0.0226 281 TYR A CD1 1599 C CD2 . TYR A 202 ? 0.1393 0.1626 0.2595 0.0079 -0.0332 0.0290 281 TYR A CD2 1600 C CE1 . TYR A 202 ? 0.1964 0.2207 0.3284 0.0114 -0.0559 0.0224 281 TYR A CE1 1601 C CE2 . TYR A 202 ? 0.1238 0.1483 0.2669 0.0080 -0.0371 0.0292 281 TYR A CE2 1602 C CZ . TYR A 202 ? 0.1819 0.2069 0.3310 0.0097 -0.0487 0.0258 281 TYR A CZ 1603 O OH . TYR A 202 ? 0.1894 0.2156 0.3620 0.0099 -0.0533 0.0257 281 TYR A OH 1604 N N . VAL A 203 ? 0.1857 0.2077 0.2494 0.0146 -0.0538 0.0218 282 VAL A N 1605 C CA . VAL A 203 ? 0.1896 0.2123 0.2533 0.0175 -0.0646 0.0198 282 VAL A CA 1606 C C . VAL A 203 ? 0.2333 0.2568 0.3075 0.0185 -0.0732 0.0159 282 VAL A C 1607 O O . VAL A 203 ? 0.1966 0.2199 0.2670 0.0177 -0.0734 0.0135 282 VAL A O 1608 C CB . VAL A 203 ? 0.2154 0.2379 0.2567 0.0194 -0.0671 0.0189 282 VAL A CB 1609 C CG1 . VAL A 203 ? 0.2225 0.2461 0.2626 0.0229 -0.0784 0.0169 282 VAL A CG1 1610 C CG2 . VAL A 203 ? 0.1924 0.2141 0.2251 0.0185 -0.0591 0.0227 282 VAL A CG2 1611 N N . ASP A 204 ? 0.2054 0.2299 0.2939 0.0201 -0.0806 0.0152 283 ASP A N 1612 C CA . ASP A 204 ? 0.2270 0.2522 0.3265 0.0215 -0.0907 0.0109 283 ASP A CA 1613 C C . ASP A 204 ? 0.2337 0.2599 0.3342 0.0248 -0.1005 0.0099 283 ASP A C 1614 O O . ASP A 204 ? 0.2366 0.2635 0.3555 0.0251 -0.1034 0.0108 283 ASP A O 1615 C CB . ASP A 204 ? 0.2288 0.2543 0.3524 0.0192 -0.0879 0.0119 283 ASP A CB 1616 C CG . ASP A 204 ? 0.2468 0.2730 0.3845 0.0204 -0.0982 0.0074 283 ASP A CG 1617 O OD1 . ASP A 204 ? 0.2414 0.2678 0.3687 0.0229 -0.1071 0.0028 283 ASP A OD1 1618 O OD2 . ASP A 204 ? 0.3131 0.3397 0.4731 0.0188 -0.0971 0.0084 283 ASP A OD2 1619 N N . ILE A 205 ? 0.2310 0.2573 0.3116 0.0274 -0.1053 0.0082 284 ILE A N 1620 C CA . ILE A 205 ? 0.2350 0.2621 0.3104 0.0307 -0.1125 0.0087 284 ILE A CA 1621 C C . ILE A 205 ? 0.2353 0.2616 0.3101 0.0298 -0.1050 0.0144 284 ILE A C 1622 O O . ILE A 205 ? 0.2539 0.2799 0.3113 0.0306 -0.1025 0.0167 284 ILE A O 1623 C CB . ILE A 205 ? 0.2699 0.2982 0.3628 0.0329 -0.1237 0.0058 284 ILE A CB 1624 C CG1 . ILE A 205 ? 0.2581 0.2870 0.3533 0.0338 -0.1313 -0.0005 284 ILE A CG1 1625 C CG2 . ILE A 205 ? 0.3032 0.3323 0.3876 0.0367 -0.1315 0.0065 284 ILE A CG2 1626 C CD1 . ILE A 205 ? 0.2801 0.3095 0.3524 0.0369 -0.1371 -0.0042 284 ILE A CD1 1627 N N . ASP A 206 ? 0.2202 0.2465 0.3151 0.0280 -0.1013 0.0168 285 ASP A N 1628 C CA . ASP A 206 ? 0.2288 0.2544 0.3257 0.0269 -0.0934 0.0217 285 ASP A CA 1629 C C . ASP A 206 ? 0.2158 0.2403 0.3123 0.0232 -0.0809 0.0235 285 ASP A C 1630 O O . ASP A 206 ? 0.1912 0.2157 0.2892 0.0216 -0.0789 0.0214 285 ASP A O 1631 C CB . ASP A 206 ? 0.2056 0.2320 0.3250 0.0275 -0.0968 0.0231 285 ASP A CB 1632 C CG . ASP A 206 ? 0.2416 0.2690 0.3614 0.0314 -0.1098 0.0214 285 ASP A CG 1633 O OD1 . ASP A 206 ? 0.2736 0.3007 0.3751 0.0337 -0.1131 0.0222 285 ASP A OD1 1634 O OD2 . ASP A 206 ? 0.3003 0.3289 0.4391 0.0321 -0.1167 0.0195 285 ASP A OD2 1635 N N . VAL A 207 ? 0.2004 0.2240 0.2949 0.0222 -0.0727 0.0272 287 VAL A N 1636 C CA . VAL A 207 ? 0.1898 0.2126 0.2847 0.0190 -0.0609 0.0289 287 VAL A CA 1637 C C . VAL A 207 ? 0.2407 0.2644 0.3589 0.0176 -0.0574 0.0298 287 VAL A C 1638 O O . VAL A 207 ? 0.2169 0.2411 0.3494 0.0185 -0.0595 0.0313 287 VAL A O 1639 C CB . VAL A 207 ? 0.1814 0.2029 0.2661 0.0186 -0.0537 0.0320 287 VAL A CB 1640 C CG1 . VAL A 207 ? 0.1666 0.1874 0.2514 0.0157 -0.0418 0.0331 287 VAL A CG1 1641 C CG2 . VAL A 207 ? 0.1996 0.2205 0.2623 0.0200 -0.0567 0.0316 287 VAL A CG2 1642 N N . TYR A 208 ? 0.1886 0.2124 0.3110 0.0153 -0.0521 0.0293 288 TYR A N 1643 C CA . TYR A 208 ? 0.1678 0.1926 0.3106 0.0136 -0.0460 0.0311 288 TYR A CA 1644 C C . TYR A 208 ? 0.1881 0.2121 0.3245 0.0114 -0.0332 0.0334 288 TYR A C 1645 O O . TYR A 208 ? 0.1797 0.2028 0.2999 0.0104 -0.0296 0.0328 288 TYR A O 1646 C CB . TYR A 208 ? 0.1730 0.1987 0.3288 0.0128 -0.0495 0.0293 288 TYR A CB 1647 C CG . TYR A 208 ? 0.2084 0.2352 0.3768 0.0149 -0.0618 0.0268 288 TYR A CG 1648 C CD1 . TYR A 208 ? 0.2293 0.2576 0.4223 0.0148 -0.0633 0.0278 288 TYR A CD1 1649 C CD2 . TYR A 208 ? 0.2432 0.2697 0.3989 0.0171 -0.0719 0.0234 288 TYR A CD2 1650 C CE1 . TYR A 208 ? 0.2556 0.2849 0.4605 0.0169 -0.0752 0.0251 288 TYR A CE1 1651 C CE2 . TYR A 208 ? 0.2845 0.3120 0.4509 0.0194 -0.0836 0.0206 288 TYR A CE2 1652 C CZ . TYR A 208 ? 0.2985 0.3274 0.4896 0.0192 -0.0855 0.0214 288 TYR A CZ 1653 O OH . TYR A 208 ? 0.3720 0.4019 0.5743 0.0216 -0.0979 0.0182 288 TYR A OH 1654 N N . CYS A 209 ? 0.1609 0.1854 0.3102 0.0108 -0.0267 0.0358 289 CYS A N 1655 C CA . CYS A 209 ? 0.1645 0.1887 0.3097 0.0091 -0.0145 0.0376 289 CYS A CA 1656 C C . CYS A 209 ? 0.2009 0.2268 0.3664 0.0078 -0.0085 0.0393 289 CYS A C 1657 O O . CYS A 209 ? 0.2220 0.2492 0.4066 0.0085 -0.0110 0.0401 289 CYS A O 1658 C CB . CYS A 209 ? 0.2018 0.2250 0.3421 0.0098 -0.0106 0.0387 289 CYS A CB 1659 S SG . CYS A 209 ? 0.1975 0.2186 0.3127 0.0109 -0.0145 0.0377 289 CYS A SG 1660 N N . ILE A 210 ? 0.1802 0.2062 0.3418 0.0060 -0.0006 0.0403 290 ILE A N 1661 C CA . ILE A 210 ? 0.1864 0.2142 0.3654 0.0048 0.0073 0.0427 290 ILE A CA 1662 C C . ILE A 210 ? 0.1808 0.2083 0.3500 0.0040 0.0192 0.0440 290 ILE A C 1663 O O . ILE A 210 ? 0.1726 0.1987 0.3227 0.0034 0.0222 0.0433 290 ILE A O 1664 C CB . ILE A 210 ? 0.1768 0.2052 0.3616 0.0035 0.0060 0.0432 290 ILE A CB 1665 C CG1 . ILE A 210 ? 0.1996 0.2286 0.3983 0.0045 -0.0060 0.0413 290 ILE A CG1 1666 C CG2 . ILE A 210 ? 0.1830 0.2132 0.3814 0.0021 0.0165 0.0466 290 ILE A CG2 1667 C CD1 . ILE A 210 ? 0.1938 0.2229 0.3985 0.0035 -0.0094 0.0409 290 ILE A CD1 1668 N N . CYS A 211 ? 0.1665 0.1954 0.3489 0.0042 0.0260 0.0456 291 CYS A N 1669 C CA . CYS A 211 ? 0.1634 0.1917 0.3354 0.0042 0.0358 0.0457 291 CYS A CA 1670 C C . CYS A 211 ? 0.1491 0.1795 0.3315 0.0035 0.0473 0.0481 291 CYS A C 1671 O O . CYS A 211 ? 0.1577 0.1899 0.3522 0.0026 0.0488 0.0502 291 CYS A O 1672 C CB . CYS A 211 ? 0.1670 0.1943 0.3393 0.0057 0.0334 0.0446 291 CYS A CB 1673 S SG . CYS A 211 ? 0.1887 0.2144 0.3553 0.0071 0.0187 0.0429 291 CYS A SG 1674 N N . ARG A 212 ? 0.1606 0.1909 0.3379 0.0040 0.0555 0.0476 292 ARG A N 1675 C CA . ARG A 212 ? 0.1689 0.2013 0.3521 0.0037 0.0675 0.0494 292 ARG A CA 1676 C C . ARG A 212 ? 0.1573 0.1910 0.3562 0.0050 0.0716 0.0492 292 ARG A C 1677 O O . ARG A 212 ? 0.1711 0.2033 0.3637 0.0060 0.0713 0.0470 292 ARG A O 1678 C CB . ARG A 212 ? 0.1837 0.2148 0.3447 0.0034 0.0746 0.0483 292 ARG A CB 1679 C CG . ARG A 212 ? 0.1876 0.2205 0.3502 0.0038 0.0873 0.0491 292 ARG A CG 1680 C CD . ARG A 212 ? 0.1808 0.2122 0.3198 0.0037 0.0923 0.0472 292 ARG A CD 1681 N NE . ARG A 212 ? 0.2192 0.2524 0.3574 0.0046 0.1042 0.0472 292 ARG A NE 1682 C CZ . ARG A 212 ? 0.2124 0.2449 0.3320 0.0048 0.1101 0.0456 292 ARG A CZ 1683 N NH1 . ARG A 212 ? 0.1948 0.2250 0.2957 0.0041 0.1054 0.0440 292 ARG A NH1 1684 N NH2 . ARG A 212 ? 0.2660 0.3004 0.3858 0.0060 0.1208 0.0453 292 ARG A NH2 1685 N N . ASP A 213 ? 0.1724 0.2090 0.3927 0.0049 0.0754 0.0517 293 ASP A N 1686 C CA . ASP A 213 ? 0.1668 0.2054 0.4034 0.0062 0.0814 0.0518 293 ASP A CA 1687 C C . ASP A 213 ? 0.1748 0.2150 0.4059 0.0062 0.0951 0.0527 293 ASP A C 1688 O O . ASP A 213 ? 0.2000 0.2422 0.4347 0.0053 0.1000 0.0557 293 ASP A O 1689 C CB . ASP A 213 ? 0.1776 0.2189 0.4414 0.0061 0.0778 0.0541 293 ASP A CB 1690 C CG . ASP A 213 ? 0.1563 0.2002 0.4397 0.0074 0.0848 0.0546 293 ASP A CG 1691 O OD1 . ASP A 213 ? 0.2043 0.2493 0.4834 0.0079 0.0964 0.0545 293 ASP A OD1 1692 O OD2 . ASP A 213 ? 0.1933 0.2383 0.4969 0.0080 0.0786 0.0549 293 ASP A OD2 1693 N N . ASN A 214 ? 0.1946 0.2341 0.4166 0.0074 0.1012 0.0501 294 ASN A N 1694 C CA . ASN A 214 ? 0.2100 0.2511 0.4242 0.0078 0.1139 0.0503 294 ASN A CA 1695 C C . ASN A 214 ? 0.2531 0.2974 0.4863 0.0092 0.1229 0.0509 294 ASN A C 1696 O O . ASN A 214 ? 0.2809 0.3266 0.5079 0.0101 0.1338 0.0501 294 ASN A O 1697 C CB . ASN A 214 ? 0.2296 0.2680 0.4194 0.0082 0.1160 0.0465 294 ASN A CB 1698 C CG . ASN A 214 ? 0.3031 0.3396 0.4943 0.0096 0.1143 0.0428 294 ASN A CG 1699 O OD1 . ASN A 214 ? 0.2948 0.3282 0.4691 0.0097 0.1110 0.0399 294 ASN A OD1 1700 N ND2 . ASN A 214 ? 0.2218 0.2602 0.4336 0.0108 0.1166 0.0431 294 ASN A ND2 1701 N N . TRP A 215 ? 0.2406 0.2863 0.4967 0.0094 0.1181 0.0521 295 TRP A N 1702 C CA . TRP A 215 ? 0.2501 0.2989 0.5267 0.0109 0.1251 0.0522 295 TRP A CA 1703 C C . TRP A 215 ? 0.2176 0.2704 0.5174 0.0102 0.1282 0.0567 295 TRP A C 1704 O O . TRP A 215 ? 0.2345 0.2902 0.5359 0.0103 0.1393 0.0591 295 TRP A O 1705 C CB . TRP A 215 ? 0.2370 0.2841 0.5233 0.0120 0.1174 0.0497 295 TRP A CB 1706 C CG . TRP A 215 ? 0.2762 0.3258 0.5810 0.0139 0.1248 0.0488 295 TRP A CG 1707 C CD1 . TRP A 215 ? 0.3106 0.3637 0.6213 0.0149 0.1380 0.0494 295 TRP A CD1 1708 C CD2 . TRP A 215 ? 0.2748 0.3238 0.5945 0.0153 0.1192 0.0473 295 TRP A CD2 1709 N NE1 . TRP A 215 ? 0.2859 0.3406 0.6148 0.0167 0.1412 0.0478 295 TRP A NE1 1710 C CE2 . TRP A 215 ? 0.3086 0.3607 0.6437 0.0170 0.1296 0.0466 295 TRP A CE2 1711 C CE3 . TRP A 215 ? 0.2868 0.3329 0.6083 0.0154 0.1065 0.0466 295 TRP A CE3 1712 C CZ2 . TRP A 215 ? 0.3003 0.3526 0.6531 0.0187 0.1275 0.0452 295 TRP A CZ2 1713 C CZ3 . TRP A 215 ? 0.3178 0.3640 0.6562 0.0172 0.1043 0.0456 295 TRP A CZ3 1714 C CH2 . TRP A 215 ? 0.3193 0.3685 0.6737 0.0187 0.1146 0.0448 295 TRP A CH2 1715 N N . LYS A 216 ? 0.2367 0.2897 0.5546 0.0097 0.1184 0.0579 296 LYS A N 1716 C CA . LYS A 216 ? 0.2230 0.2799 0.5664 0.0090 0.1206 0.0618 296 LYS A CA 1717 C C . LYS A 216 ? 0.2769 0.3334 0.6230 0.0070 0.1127 0.0645 296 LYS A C 1718 O O . LYS A 216 ? 0.2506 0.3102 0.6183 0.0062 0.1141 0.0679 296 LYS A O 1719 C CB . LYS A 216 ? 0.2698 0.3284 0.6386 0.0102 0.1164 0.0612 296 LYS A CB 1720 C CG . LYS A 216 ? 0.2985 0.3582 0.6710 0.0124 0.1248 0.0588 296 LYS A CG 1721 C CD . LYS A 216 ? 0.3683 0.4274 0.7585 0.0136 0.1160 0.0571 296 LYS A CD 1722 C CE . LYS A 216 ? 0.3201 0.3749 0.6976 0.0132 0.1011 0.0554 296 LYS A CE 1723 N NZ . LYS A 216 ? 0.4286 0.4825 0.8195 0.0147 0.0921 0.0540 296 LYS A NZ 1724 N N . GLY A 217 ? 0.1862 0.2391 0.5117 0.0062 0.1045 0.0628 297 GLY A N 1725 C CA . GLY A 217 ? 0.1757 0.2279 0.5045 0.0046 0.0954 0.0644 297 GLY A CA 1726 C C . GLY A 217 ? 0.2132 0.2644 0.5251 0.0031 0.0989 0.0663 297 GLY A C 1727 O O . GLY A 217 ? 0.2267 0.2752 0.5138 0.0032 0.0989 0.0643 297 GLY A O 1728 N N . SER A 218 ? 0.1806 0.2341 0.5067 0.0018 0.1018 0.0705 298 SER A N 1729 C CA . SER A 218 ? 0.1908 0.2432 0.5036 0.0004 0.1032 0.0728 298 SER A CA 1730 C C . SER A 218 ? 0.1711 0.2210 0.4828 -0.0006 0.0891 0.0711 298 SER A C 1731 O O . SER A 218 ? 0.1920 0.2399 0.4887 -0.0016 0.0871 0.0716 298 SER A O 1732 C CB . SER A 218 ? 0.2242 0.2802 0.5530 -0.0005 0.1132 0.0787 298 SER A CB 1733 O OG . SER A 218 ? 0.2040 0.2622 0.5623 -0.0012 0.1087 0.0804 298 SER A OG 1734 N N . ASN A 219 ? 0.1806 0.2306 0.5084 -0.0001 0.0792 0.0690 299 ASN A N 1735 C CA . ASN A 219 ? 0.1750 0.2224 0.4992 -0.0003 0.0647 0.0661 299 ASN A CA 1736 C C . ASN A 219 ? 0.1735 0.2178 0.4744 0.0009 0.0596 0.0618 299 ASN A C 1737 O O . ASN A 219 ? 0.1668 0.2112 0.4624 0.0021 0.0652 0.0608 299 ASN A O 1738 C CB . ASN A 219 ? 0.1656 0.2146 0.5170 -0.0001 0.0558 0.0656 299 ASN A CB 1739 C CG . ASN A 219 ? 0.1740 0.2250 0.5404 0.0014 0.0585 0.0651 299 ASN A CG 1740 O OD1 . ASN A 219 ? 0.1785 0.2306 0.5397 0.0021 0.0693 0.0660 299 ASN A OD1 1741 N ND2 . ASN A 219 ? 0.2177 0.2696 0.6035 0.0021 0.0484 0.0637 299 ASN A ND2 1742 N N . ARG A 220 ? 0.1887 0.2304 0.4764 0.0008 0.0494 0.0593 300 ARG A N 1743 C CA . ARG A 220 ? 0.1689 0.2078 0.4341 0.0018 0.0449 0.0558 300 ARG A CA 1744 C C . ARG A 220 ? 0.1648 0.2031 0.4368 0.0034 0.0339 0.0532 300 ARG A C 1745 O O . ARG A 220 ? 0.1763 0.2149 0.4606 0.0035 0.0241 0.0524 300 ARG A O 1746 C CB . ARG A 220 ? 0.1808 0.2172 0.4246 0.0011 0.0409 0.0545 300 ARG A CB 1747 C CG . ARG A 220 ? 0.1800 0.2164 0.4108 0.0000 0.0517 0.0568 300 ARG A CG 1748 C CD . ARG A 220 ? 0.1751 0.2089 0.3818 -0.0004 0.0478 0.0549 300 ARG A CD 1749 N NE . ARG A 220 ? 0.1686 0.2024 0.3632 -0.0013 0.0577 0.0572 300 ARG A NE 1750 C CZ . ARG A 220 ? 0.1339 0.1677 0.3162 -0.0009 0.0668 0.0572 300 ARG A CZ 1751 N NH1 . ARG A 220 ? 0.1725 0.2061 0.3534 0.0003 0.0673 0.0550 300 ARG A NH1 1752 N NH2 . ARG A 220 ? 0.1680 0.2021 0.3393 -0.0015 0.0750 0.0594 300 ARG A NH2 1753 N N . PRO A 221 ? 0.1783 0.2155 0.4415 0.0047 0.0352 0.0517 301 PRO A N 1754 C CA . PRO A 221 ? 0.1854 0.2217 0.4513 0.0064 0.0250 0.0497 301 PRO A CA 1755 C C . PRO A 221 ? 0.1879 0.2217 0.4355 0.0067 0.0147 0.0473 301 PRO A C 1756 O O . PRO A 221 ? 0.1972 0.2295 0.4256 0.0058 0.0175 0.0469 301 PRO A O 1757 C CB . PRO A 221 ? 0.1867 0.2221 0.4451 0.0074 0.0314 0.0493 301 PRO A CB 1758 C CG . PRO A 221 ? 0.2063 0.2411 0.4477 0.0062 0.0421 0.0496 301 PRO A CG 1759 C CD . PRO A 221 ? 0.1512 0.1881 0.4015 0.0047 0.0466 0.0520 301 PRO A CD 1760 N N . TRP A 222 ? 0.1851 0.2186 0.4383 0.0082 0.0029 0.0458 302 TRP A N 1761 C CA . TRP A 222 ? 0.2072 0.2386 0.4424 0.0089 -0.0067 0.0434 302 TRP A CA 1762 C C . TRP A 222 ? 0.2271 0.2578 0.4615 0.0112 -0.0165 0.0423 302 TRP A C 1763 O O . TRP A 222 ? 0.2044 0.2364 0.4566 0.0123 -0.0184 0.0431 302 TRP A O 1764 C CB . TRP A 222 ? 0.1969 0.2289 0.4370 0.0082 -0.0131 0.0423 302 TRP A CB 1765 C CG . TRP A 222 ? 0.2014 0.2354 0.4668 0.0089 -0.0206 0.0420 302 TRP A CG 1766 C CD1 . TRP A 222 ? 0.2035 0.2399 0.4928 0.0078 -0.0160 0.0441 302 TRP A CD1 1767 C CD2 . TRP A 222 ? 0.2058 0.2397 0.4753 0.0110 -0.0341 0.0395 302 TRP A CD2 1768 N NE1 . TRP A 222 ? 0.2116 0.2493 0.5206 0.0089 -0.0260 0.0428 302 TRP A NE1 1769 C CE2 . TRP A 222 ? 0.1785 0.2148 0.4755 0.0110 -0.0375 0.0398 302 TRP A CE2 1770 C CE3 . TRP A 222 ? 0.2224 0.2547 0.4752 0.0130 -0.0435 0.0372 302 TRP A CE3 1771 C CZ2 . TRP A 222 ? 0.2181 0.2550 0.5259 0.0130 -0.0506 0.0374 302 TRP A CZ2 1772 C CZ3 . TRP A 222 ? 0.1995 0.2326 0.4619 0.0152 -0.0562 0.0351 302 TRP A CZ3 1773 C CH2 . TRP A 222 ? 0.2018 0.2370 0.4914 0.0151 -0.0599 0.0350 302 TRP A CH2 1774 N N . MET A 223 ? 0.2042 0.2330 0.4179 0.0121 -0.0225 0.0406 303 MET A N 1775 C CA . MET A 223 ? 0.1958 0.2239 0.4058 0.0145 -0.0324 0.0399 303 MET A CA 1776 C C . MET A 223 ? 0.2201 0.2475 0.4163 0.0155 -0.0424 0.0374 303 MET A C 1777 O O . MET A 223 ? 0.2192 0.2458 0.4012 0.0143 -0.0402 0.0363 303 MET A O 1778 C CB . MET A 223 ? 0.2336 0.2598 0.4293 0.0151 -0.0279 0.0411 303 MET A CB 1779 C CG . MET A 223 ? 0.2574 0.2838 0.4608 0.0141 -0.0163 0.0428 303 MET A CG 1780 S SD . MET A 223 ? 0.2306 0.2544 0.4173 0.0149 -0.0128 0.0437 303 MET A SD 1781 C CE . MET A 223 ? 0.1904 0.2127 0.3526 0.0129 -0.0061 0.0425 303 MET A CE 1782 N N . ARG A 224 ? 0.1980 0.2257 0.3976 0.0180 -0.0535 0.0365 304 ARG A N 1783 C CA . ARG A 224 ? 0.2251 0.2522 0.4096 0.0197 -0.0636 0.0339 304 ARG A CA 1784 C C . ARG A 224 ? 0.2561 0.2820 0.4273 0.0219 -0.0668 0.0354 304 ARG A C 1785 O O . ARG A 224 ? 0.2360 0.2622 0.4186 0.0233 -0.0694 0.0371 304 ARG A O 1786 C CB . ARG A 224 ? 0.2434 0.2721 0.4437 0.0210 -0.0746 0.0314 304 ARG A CB 1787 C CG . ARG A 224 ? 0.2850 0.3135 0.4712 0.0234 -0.0861 0.0281 304 ARG A CG 1788 C CD . ARG A 224 ? 0.3325 0.3626 0.5367 0.0245 -0.0965 0.0249 304 ARG A CD 1789 N NE . ARG A 224 ? 0.3339 0.3642 0.5258 0.0277 -0.1089 0.0215 304 ARG A NE 1790 C CZ . ARG A 224 ? 0.4584 0.4896 0.6579 0.0307 -0.1197 0.0205 304 ARG A CZ 1791 N NH1 . ARG A 224 ? 0.4680 0.5002 0.6887 0.0307 -0.1197 0.0227 304 ARG A NH1 1792 N NH2 . ARG A 224 ? 0.5540 0.5854 0.7399 0.0338 -0.1306 0.0173 304 ARG A NH2 1793 N N . ILE A 225 ? 0.2119 0.2364 0.3599 0.0221 -0.0665 0.0350 305 ILE A N 1794 C CA . ILE A 225 ? 0.2211 0.2443 0.3554 0.0237 -0.0672 0.0372 305 ILE A CA 1795 C C . ILE A 225 ? 0.2278 0.2509 0.3427 0.0258 -0.0754 0.0356 305 ILE A C 1796 O O . ILE A 225 ? 0.2261 0.2494 0.3313 0.0250 -0.0755 0.0329 305 ILE A O 1797 C CB . ILE A 225 ? 0.2085 0.2301 0.3323 0.0216 -0.0553 0.0391 305 ILE A CB 1798 C CG1 . ILE A 225 ? 0.1973 0.2193 0.3375 0.0194 -0.0457 0.0399 305 ILE A CG1 1799 C CG2 . ILE A 225 ? 0.2323 0.2524 0.3460 0.0230 -0.0556 0.0419 305 ILE A CG2 1800 C CD1 . ILE A 225 ? 0.1688 0.1894 0.2976 0.0171 -0.0340 0.0405 305 ILE A CD1 1801 N N . ASN A 226 ? 0.2055 0.2284 0.3145 0.0286 -0.0820 0.0373 306 ASN A N 1802 C CA . ASN A 226 ? 0.2316 0.2545 0.3190 0.0306 -0.0876 0.0364 306 ASN A CA 1803 C C . ASN A 226 ? 0.2275 0.2487 0.2992 0.0307 -0.0824 0.0402 306 ASN A C 1804 O O . ASN A 226 ? 0.2242 0.2440 0.3003 0.0287 -0.0735 0.0426 306 ASN A O 1805 C CB . ASN A 226 ? 0.2345 0.2588 0.3233 0.0343 -0.1010 0.0346 306 ASN A CB 1806 C CG . ASN A 226 ? 0.2735 0.2976 0.3699 0.0367 -0.1058 0.0382 306 ASN A CG 1807 O OD1 . ASN A 226 ? 0.3593 0.3847 0.4611 0.0396 -0.1167 0.0370 306 ASN A OD1 1808 N ND2 . ASN A 226 ? 0.2306 0.2532 0.3280 0.0355 -0.0981 0.0424 306 ASN A ND2 1809 N N . ASN A 227 ? 0.2258 0.2471 0.2795 0.0331 -0.0878 0.0406 307 ASN A N 1810 C CA . ASN A 227 ? 0.2145 0.2345 0.2529 0.0332 -0.0830 0.0445 307 ASN A CA 1811 C C . ASN A 227 ? 0.2345 0.2533 0.2806 0.0344 -0.0832 0.0494 307 ASN A C 1812 O O . ASN A 227 ? 0.2422 0.2596 0.2781 0.0344 -0.0794 0.0531 307 ASN A O 1813 C CB . ASN A 227 ? 0.2498 0.2707 0.2669 0.0355 -0.0882 0.0439 307 ASN A CB 1814 C CG . ASN A 227 ? 0.2618 0.2840 0.2777 0.0398 -0.0999 0.0446 307 ASN A CG 1815 O OD1 . ASN A 227 ? 0.2877 0.3108 0.3186 0.0409 -0.1066 0.0429 307 ASN A OD1 1816 N ND2 . ASN A 227 ? 0.2790 0.3015 0.2767 0.0422 -0.1024 0.0472 307 ASN A ND2 1817 N N . GLU A 228 ? 0.2415 0.2608 0.3065 0.0353 -0.0877 0.0494 308 GLU A N 1818 C CA . GLU A 228 ? 0.2798 0.2982 0.3538 0.0369 -0.0894 0.0539 308 GLU A CA 1819 C C . GLU A 228 ? 0.2595 0.2775 0.3563 0.0351 -0.0841 0.0541 308 GLU A C 1820 O O . GLU A 228 ? 0.2886 0.3050 0.3914 0.0349 -0.0798 0.0577 308 GLU A O 1821 C CB . GLU A 228 ? 0.2708 0.2906 0.3446 0.0411 -0.1023 0.0546 308 GLU A CB 1822 C CG . GLU A 228 ? 0.3096 0.3300 0.3598 0.0435 -0.1072 0.0553 308 GLU A CG 1823 C CD . GLU A 228 ? 0.3734 0.3952 0.4214 0.0481 -0.1200 0.0561 308 GLU A CD 1824 O OE1 . GLU A 228 ? 0.3961 0.4183 0.4252 0.0507 -0.1233 0.0583 308 GLU A OE1 1825 O OE2 . GLU A 228 ? 0.3635 0.3863 0.4286 0.0493 -0.1268 0.0545 308 GLU A OE2 1826 N N . THR A 229 ? 0.2421 0.2616 0.3524 0.0338 -0.0842 0.0505 309 THR A N 1827 C CA . THR A 229 ? 0.2162 0.2359 0.3497 0.0328 -0.0806 0.0509 309 THR A CA 1828 C C . THR A 229 ? 0.2143 0.2355 0.3596 0.0303 -0.0765 0.0472 309 THR A C 1829 O O . THR A 229 ? 0.2442 0.2663 0.3822 0.0298 -0.0792 0.0441 309 THR A O 1830 C CB . THR A 229 ? 0.2682 0.2890 0.4159 0.0359 -0.0910 0.0522 309 THR A CB 1831 O OG1 . THR A 229 ? 0.2650 0.2858 0.4344 0.0351 -0.0864 0.0536 309 THR A OG1 1832 C CG2 . THR A 229 ? 0.2903 0.3134 0.4436 0.0371 -0.1007 0.0482 309 THR A CG2 1833 N N . ILE A 230 ? 0.2100 0.2314 0.3738 0.0288 -0.0698 0.0478 311 ILE A N 1834 C CA . ILE A 230 ? 0.2213 0.2444 0.4004 0.0269 -0.0667 0.0453 311 ILE A CA 1835 C C . ILE A 230 ? 0.2797 0.3049 0.4748 0.0288 -0.0779 0.0439 311 ILE A C 1836 O O . ILE A 230 ? 0.2547 0.2802 0.4622 0.0308 -0.0829 0.0456 311 ILE A O 1837 C CB . ILE A 230 ? 0.2003 0.2234 0.3945 0.0250 -0.0557 0.0465 311 ILE A CB 1838 C CG1 . ILE A 230 ? 0.1934 0.2146 0.3719 0.0230 -0.0449 0.0471 311 ILE A CG1 1839 C CG2 . ILE A 230 ? 0.1882 0.2136 0.4008 0.0234 -0.0531 0.0448 311 ILE A CG2 1840 C CD1 . ILE A 230 ? 0.1960 0.2169 0.3866 0.0219 -0.0345 0.0482 311 ILE A CD1 1841 N N . LEU A 231 ? 0.2182 0.2446 0.4138 0.0283 -0.0819 0.0406 312 LEU A N 1842 C CA . LEU A 231 ? 0.2319 0.2602 0.4412 0.0302 -0.0936 0.0383 312 LEU A CA 1843 C C . LEU A 231 ? 0.2746 0.3048 0.5112 0.0286 -0.0910 0.0376 312 LEU A C 1844 O O . LEU A 231 ? 0.2589 0.2907 0.5143 0.0302 -0.0986 0.0374 312 LEU A O 1845 C CB . LEU A 231 ? 0.2287 0.2572 0.4235 0.0308 -0.1007 0.0345 312 LEU A CB 1846 C CG . LEU A 231 ? 0.3040 0.3313 0.4730 0.0331 -0.1055 0.0348 312 LEU A CG 1847 C CD1 . LEU A 231 ? 0.3002 0.3280 0.4559 0.0336 -0.1111 0.0304 312 LEU A CD1 1848 C CD2 . LEU A 231 ? 0.2791 0.3067 0.4499 0.0368 -0.1154 0.0366 312 LEU A CD2 1849 N N . GLU A 232 ? 0.2492 0.2795 0.4883 0.0255 -0.0804 0.0375 313 GLU A N 1850 C CA . GLU A 232 ? 0.2245 0.2568 0.4888 0.0237 -0.0761 0.0376 313 GLU A CA 1851 C C . GLU A 232 ? 0.2443 0.2763 0.5074 0.0209 -0.0611 0.0396 313 GLU A C 1852 O O . GLU A 232 ? 0.2336 0.2637 0.4756 0.0199 -0.0552 0.0398 313 GLU A O 1853 C CB . GLU A 232 ? 0.2557 0.2893 0.5276 0.0231 -0.0819 0.0344 313 GLU A CB 1854 C CG . GLU A 232 ? 0.3073 0.3411 0.5755 0.0258 -0.0970 0.0311 313 GLU A CG 1855 C CD . GLU A 232 ? 0.3915 0.4260 0.6640 0.0248 -0.1011 0.0275 313 GLU A CD 1856 O OE1 . GLU A 232 ? 0.4221 0.4568 0.6895 0.0271 -0.1131 0.0238 313 GLU A OE1 1857 O OE2 . GLU A 232 ? 0.3861 0.4210 0.6668 0.0219 -0.0922 0.0283 313 GLU A OE2 1858 N N . THR A 233 ? 0.2012 0.2350 0.4871 0.0198 -0.0549 0.0409 314 THR A N 1859 C CA . THR A 233 ? 0.1901 0.2242 0.4772 0.0173 -0.0406 0.0425 314 THR A CA 1860 C C . THR A 233 ? 0.2149 0.2517 0.5261 0.0158 -0.0373 0.0430 314 THR A C 1861 O O . THR A 233 ? 0.2319 0.2704 0.5626 0.0167 -0.0457 0.0422 314 THR A O 1862 C CB . THR A 233 ? 0.2132 0.2467 0.5020 0.0177 -0.0325 0.0447 314 THR A CB 1863 O OG1 . THR A 233 ? 0.2164 0.2520 0.5311 0.0188 -0.0344 0.0456 314 THR A OG1 1864 C CG2 . THR A 233 ? 0.2147 0.2456 0.4833 0.0193 -0.0365 0.0448 314 THR A CG2 1865 N N . GLY A 234 ? 0.2068 0.2439 0.5169 0.0135 -0.0252 0.0444 315 GLY A N 1866 C CA . GLY A 234 ? 0.2193 0.2592 0.5523 0.0120 -0.0203 0.0458 315 GLY A CA 1867 C C . GLY A 234 ? 0.1937 0.2337 0.5198 0.0098 -0.0068 0.0477 315 GLY A C 1868 O O . GLY A 234 ? 0.1886 0.2268 0.4938 0.0095 -0.0004 0.0477 315 GLY A O 1869 N N . TYR A 235 ? 0.1724 0.2148 0.5171 0.0082 -0.0023 0.0494 316 TYR A N 1870 C CA . TYR A 235 ? 0.2009 0.2434 0.5388 0.0062 0.0083 0.0514 316 TYR A CA 1871 C C . TYR A 235 ? 0.1962 0.2388 0.5392 0.0050 0.0017 0.0509 316 TYR A C 1872 O O . TYR A 235 ? 0.2059 0.2495 0.5661 0.0056 -0.0085 0.0494 316 TYR A O 1873 C CB . TYR A 235 ? 0.1903 0.2358 0.5457 0.0054 0.0211 0.0548 316 TYR A CB 1874 C CG . TYR A 235 ? 0.1682 0.2135 0.5144 0.0063 0.0304 0.0551 316 TYR A CG 1875 C CD1 . TYR A 235 ? 0.1906 0.2363 0.5465 0.0081 0.0278 0.0542 316 TYR A CD1 1876 C CD2 . TYR A 235 ? 0.1810 0.2256 0.5096 0.0054 0.0417 0.0561 316 TYR A CD2 1877 C CE1 . TYR A 235 ? 0.1988 0.2440 0.5474 0.0089 0.0363 0.0541 316 TYR A CE1 1878 C CE2 . TYR A 235 ? 0.1761 0.2203 0.4965 0.0063 0.0499 0.0556 316 TYR A CE2 1879 C CZ . TYR A 235 ? 0.2028 0.2473 0.5337 0.0080 0.0473 0.0546 316 TYR A CZ 1880 O OH . TYR A 235 ? 0.1818 0.2258 0.5055 0.0090 0.0554 0.0538 316 TYR A OH 1881 N N . VAL A 236 ? 0.1902 0.2316 0.5184 0.0035 0.0068 0.0517 317 VAL A N 1882 C CA . VAL A 236 ? 0.1758 0.2170 0.5091 0.0024 0.0009 0.0512 317 VAL A CA 1883 C C . VAL A 236 ? 0.1590 0.2031 0.5230 0.0013 0.0032 0.0539 317 VAL A C 1884 O O . VAL A 236 ? 0.1733 0.2193 0.5456 0.0002 0.0153 0.0579 317 VAL A O 1885 C CB . VAL A 236 ? 0.1598 0.1994 0.4732 0.0009 0.0074 0.0524 317 VAL A CB 1886 C CG1 . VAL A 236 ? 0.2034 0.2424 0.5226 0.0000 0.0003 0.0515 317 VAL A CG1 1887 C CG2 . VAL A 236 ? 0.1625 0.1994 0.4465 0.0019 0.0064 0.0499 317 VAL A CG2 1888 N N . CYS A 237 ? 0.1576 0.2021 0.5381 0.0017 -0.0085 0.0516 318 CYS A N 1889 C CA . CYS A 237 ? 0.1933 0.2408 0.6063 0.0008 -0.0081 0.0537 318 CYS A CA 1890 C C . CYS A 237 ? 0.2159 0.2643 0.6363 -0.0017 0.0015 0.0581 318 CYS A C 1891 O O . CYS A 237 ? 0.1770 0.2283 0.6206 -0.0027 0.0089 0.0620 318 CYS A O 1892 C CB . CYS A 237 ? 0.2153 0.2627 0.6425 0.0017 -0.0239 0.0496 318 CYS A CB 1893 S SG . CYS A 237 ? 0.2103 0.2576 0.6365 0.0048 -0.0360 0.0454 318 CYS A SG 1894 N N . SER A 238 ? 0.1592 0.2051 0.5602 -0.0025 0.0015 0.0577 319 SER A N 1895 C CA . SER A 238 ? 0.1977 0.2440 0.6043 -0.0047 0.0090 0.0619 319 SER A CA 1896 C C . SER A 238 ? 0.1954 0.2447 0.6159 -0.0058 0.0238 0.0679 319 SER A C 1897 O O . SER A 238 ? 0.1874 0.2372 0.5946 -0.0052 0.0334 0.0694 319 SER A O 1898 C CB . SER A 238 ? 0.2100 0.2533 0.5873 -0.0051 0.0114 0.0615 319 SER A CB 1899 O OG . SER A 238 ? 0.1876 0.2315 0.5677 -0.0069 0.0219 0.0669 319 SER A OG 1900 N N . LYS A 239 ? 0.1545 0.2060 0.6025 -0.0072 0.0256 0.0714 320 LYS A N 1901 C CA . LYS A 239 ? 0.1832 0.2380 0.6449 -0.0082 0.0403 0.0778 320 LYS A CA 1902 C C . LYS A 239 ? 0.1768 0.2306 0.6184 -0.0092 0.0519 0.0820 320 LYS A C 1903 O O . LYS A 239 ? 0.2081 0.2646 0.6544 -0.0097 0.0655 0.0874 320 LYS A O 1904 C CB . LYS A 239 ? 0.1652 0.2228 0.6629 -0.0097 0.0394 0.0808 320 LYS A CB 1905 C CG . LYS A 239 ? 0.2191 0.2751 0.7235 -0.0115 0.0352 0.0822 320 LYS A CG 1906 C CD . LYS A 239 ? 0.2513 0.3103 0.7942 -0.0129 0.0348 0.0853 320 LYS A CD 1907 C CE . LYS A 239 ? 0.2592 0.3166 0.8123 -0.0147 0.0303 0.0867 320 LYS A CE 1908 N NZ . LYS A 239 ? 0.2455 0.3059 0.8380 -0.0162 0.0296 0.0897 320 LYS A NZ 1909 N N . PHE A 240 ? 0.2152 0.2656 0.6340 -0.0093 0.0466 0.0796 321 PHE A N 1910 C CA . PHE A 240 ? 0.1943 0.2435 0.5905 -0.0098 0.0566 0.0830 321 PHE A CA 1911 C C . PHE A 240 ? 0.1878 0.2355 0.5560 -0.0082 0.0573 0.0792 321 PHE A C 1912 O O . PHE A 240 ? 0.2135 0.2586 0.5679 -0.0073 0.0467 0.0738 321 PHE A O 1913 C CB . PHE A 240 ? 0.2075 0.2540 0.5971 -0.0110 0.0507 0.0828 321 PHE A CB 1914 C CG . PHE A 240 ? 0.1959 0.2433 0.6147 -0.0125 0.0469 0.0853 321 PHE A CG 1915 C CD1 . PHE A 240 ? 0.2017 0.2481 0.6339 -0.0123 0.0323 0.0800 321 PHE A CD1 1916 C CD2 . PHE A 240 ? 0.2454 0.2949 0.6789 -0.0141 0.0579 0.0928 321 PHE A CD2 1917 C CE1 . PHE A 240 ? 0.2479 0.2951 0.7088 -0.0137 0.0282 0.0818 321 PHE A CE1 1918 C CE2 . PHE A 240 ? 0.2321 0.2825 0.6947 -0.0156 0.0545 0.0954 321 PHE A CE2 1919 C CZ . PHE A 240 ? 0.2476 0.2968 0.7243 -0.0155 0.0394 0.0896 321 PHE A CZ 1920 N N . HIS A 241 ? 0.1963 0.2457 0.5572 -0.0077 0.0698 0.0818 322 HIS A N 1921 C CA . HIS A 241 ? 0.1671 0.2153 0.5056 -0.0061 0.0711 0.0781 322 HIS A CA 1922 C C . HIS A 241 ? 0.1885 0.2339 0.4974 -0.0062 0.0726 0.0774 322 HIS A C 1923 O O . HIS A 241 ? 0.1943 0.2392 0.5001 -0.0074 0.0760 0.0809 322 HIS A O 1924 C CB . HIS A 241 ? 0.1856 0.2368 0.5294 -0.0052 0.0836 0.0805 322 HIS A CB 1925 C CG . HIS A 241 ? 0.2029 0.2570 0.5755 -0.0049 0.0822 0.0808 322 HIS A CG 1926 N ND1 . HIS A 241 ? 0.2014 0.2586 0.5834 -0.0039 0.0924 0.0825 322 HIS A ND1 1927 C CD2 . HIS A 241 ? 0.2144 0.2690 0.6092 -0.0052 0.0716 0.0794 322 HIS A CD2 1928 C CE1 . HIS A 241 ? 0.1913 0.2507 0.6004 -0.0038 0.0883 0.0824 322 HIS A CE1 1929 N NE2 . HIS A 241 ? 0.1758 0.2337 0.5931 -0.0046 0.0754 0.0805 322 HIS A NE2 1930 N N . SER A 242 ? 0.1806 0.2240 0.4681 -0.0050 0.0700 0.0731 323 SER A N 1931 C CA . SER A 242 ? 0.2074 0.2482 0.4675 -0.0051 0.0700 0.0719 323 SER A CA 1932 C C . SER A 242 ? 0.2105 0.2507 0.4486 -0.0040 0.0770 0.0703 323 SER A C 1933 O O . SER A 242 ? 0.1977 0.2356 0.4130 -0.0040 0.0760 0.0685 323 SER A O 1934 C CB . SER A 242 ? 0.1739 0.2119 0.4265 -0.0050 0.0562 0.0675 323 SER A CB 1935 O OG . SER A 242 ? 0.1738 0.2111 0.4247 -0.0037 0.0490 0.0631 323 SER A OG 1936 N N . ASP A 243 ? 0.1652 0.2074 0.4107 -0.0031 0.0841 0.0706 324 ASP A N 1937 C CA . ASP A 243 ? 0.1704 0.2122 0.3969 -0.0020 0.0922 0.0693 324 ASP A CA 1938 C C . ASP A 243 ? 0.2073 0.2510 0.4298 -0.0023 0.1048 0.0739 324 ASP A C 1939 O O . ASP A 243 ? 0.2015 0.2467 0.4370 -0.0034 0.1073 0.0785 324 ASP A O 1940 C CB . ASP A 243 ? 0.1761 0.2191 0.4112 -0.0006 0.0940 0.0671 324 ASP A CB 1941 C CG . ASP A 243 ? 0.1994 0.2405 0.4125 0.0006 0.0961 0.0632 324 ASP A CG 1942 O OD1 . ASP A 243 ? 0.1960 0.2354 0.3873 0.0003 0.0981 0.0626 324 ASP A OD1 1943 O OD2 . ASP A 243 ? 0.2294 0.2705 0.4473 0.0017 0.0954 0.0607 324 ASP A OD2 1944 N N . THR A 244 ? 0.1923 0.2358 0.3965 -0.0012 0.1126 0.0726 325 THR A N 1945 C CA . THR A 244 ? 0.2400 0.2855 0.4376 -0.0009 0.1251 0.0765 325 THR A CA 1946 C C . THR A 244 ? 0.2906 0.3376 0.4834 0.0009 0.1342 0.0743 325 THR A C 1947 O O . THR A 244 ? 0.2701 0.3150 0.4464 0.0018 0.1321 0.0695 325 THR A O 1948 C CB . THR A 244 ? 0.2434 0.2866 0.4166 -0.0014 0.1245 0.0766 325 THR A CB 1949 O OG1 . THR A 244 ? 0.2431 0.2846 0.4203 -0.0029 0.1153 0.0778 325 THR A OG1 1950 C CG2 . THR A 244 ? 0.3144 0.3598 0.4807 -0.0008 0.1370 0.0812 325 THR A CG2 1951 N N . PRO A 245 ? 0.2469 0.2975 0.4543 0.0016 0.1446 0.0778 326 PRO A N 1952 C CA . PRO A 245 ? 0.2527 0.3064 0.4803 0.0007 0.1494 0.0843 326 PRO A CA 1953 C C . PRO A 245 ? 0.2453 0.2994 0.4993 -0.0004 0.1410 0.0847 326 PRO A C 1954 O O . PRO A 245 ? 0.2496 0.3021 0.5066 -0.0002 0.1318 0.0801 326 PRO A O 1955 C CB . PRO A 245 ? 0.2693 0.3268 0.5012 0.0024 0.1636 0.0861 326 PRO A CB 1956 C CG . PRO A 245 ? 0.2837 0.3403 0.5106 0.0040 0.1626 0.0798 326 PRO A CG 1957 C CD . PRO A 245 ? 0.2726 0.3248 0.4763 0.0036 0.1534 0.0752 326 PRO A CD 1958 N N . ARG A 246 ? 0.2302 0.2867 0.5040 -0.0016 0.1438 0.0904 327 ARG A N 1959 C CA . ARG A 246 ? 0.2506 0.3079 0.5514 -0.0026 0.1359 0.0908 327 ARG A CA 1960 C C . ARG A 246 ? 0.2685 0.3293 0.5910 -0.0036 0.1438 0.0980 327 ARG A C 1961 O O . ARG A 246 ? 0.2910 0.3529 0.6044 -0.0036 0.1532 0.1027 327 ARG A O 1962 C CB . ARG A 246 ? 0.2302 0.2839 0.5266 -0.0039 0.1216 0.0883 327 ARG A CB 1963 C CG . ARG A 246 ? 0.2222 0.2745 0.5075 -0.0051 0.1223 0.0918 327 ARG A CG 1964 C CD . ARG A 246 ? 0.1940 0.2432 0.4804 -0.0063 0.1084 0.0894 327 ARG A CD 1965 N NE . ARG A 246 ? 0.2016 0.2496 0.4808 -0.0075 0.1093 0.0933 327 ARG A NE 1966 C CZ . ARG A 246 ? 0.2045 0.2501 0.4576 -0.0073 0.1095 0.0922 327 ARG A CZ 1967 N NH1 . ARG A 246 ? 0.2311 0.2757 0.4804 -0.0084 0.1103 0.0961 327 ARG A NH1 1968 N NH2 . ARG A 246 ? 0.1814 0.2256 0.4133 -0.0061 0.1088 0.0873 327 ARG A NH2 1969 N N . PRO A 247 ? 0.2440 0.3068 0.5955 -0.0043 0.1399 0.0990 328 PRO A N 1970 C CA . PRO A 247 ? 0.2585 0.3245 0.6339 -0.0055 0.1461 0.1060 328 PRO A CA 1971 C C . PRO A 247 ? 0.2383 0.3021 0.6129 -0.0075 0.1403 0.1090 328 PRO A C 1972 O O . PRO A 247 ? 0.2306 0.2905 0.5935 -0.0080 0.1284 0.1047 328 PRO A O 1973 C CB . PRO A 247 ? 0.2370 0.3050 0.6430 -0.0057 0.1402 0.1046 328 PRO A CB 1974 C CG . PRO A 247 ? 0.2548 0.3216 0.6515 -0.0040 0.1354 0.0978 328 PRO A CG 1975 C CD . PRO A 247 ? 0.1988 0.2612 0.5635 -0.0037 0.1302 0.0939 328 PRO A CD 1976 N N . ALA A 248 ? 0.2456 0.3118 0.6332 -0.0085 0.1489 0.1165 329 ALA A N 1977 C CA . ALA A 248 ? 0.2517 0.3160 0.6444 -0.0105 0.1438 0.1201 329 ALA A CA 1978 C C . ALA A 248 ? 0.2427 0.3059 0.6582 -0.0117 0.1295 0.1167 329 ALA A C 1979 O O . ALA A 248 ? 0.2239 0.2891 0.6590 -0.0114 0.1269 0.1144 329 ALA A O 1980 C CB . ALA A 248 ? 0.3189 0.3865 0.7252 -0.0113 0.1566 0.1295 329 ALA A CB 1981 N N . ASP A 249 ? 0.2409 0.3008 0.6540 -0.0131 0.1200 0.1161 330 ASP A N 1982 C CA . ASP A 249 ? 0.2336 0.2924 0.6686 -0.0141 0.1064 0.1128 330 ASP A CA 1983 C C . ASP A 249 ? 0.2908 0.3531 0.7605 -0.0156 0.1115 0.1192 330 ASP A C 1984 O O . ASP A 249 ? 0.3161 0.3801 0.7886 -0.0164 0.1228 0.1268 330 ASP A O 1985 C CB . ASP A 249 ? 0.2406 0.2952 0.6649 -0.0151 0.0960 0.1107 330 ASP A CB 1986 C CG . ASP A 249 ? 0.2494 0.3005 0.6412 -0.0138 0.0899 0.1043 330 ASP A CG 1987 O OD1 . ASP A 249 ? 0.2338 0.2854 0.6130 -0.0122 0.0917 0.1008 330 ASP A OD1 1988 O OD2 . ASP A 249 ? 0.2403 0.2882 0.6202 -0.0143 0.0835 0.1030 330 ASP A OD2 1989 N N . PRO A 250 ? 0.2907 0.3543 0.7871 -0.0159 0.1031 0.1163 331 PRO A N 1990 C CA . PRO A 250 ? 0.2616 0.3238 0.7566 -0.0147 0.0903 0.1079 331 PRO A CA 1991 C C . PRO A 250 ? 0.2818 0.3473 0.7797 -0.0131 0.0976 0.1074 331 PRO A C 1992 O O . PRO A 250 ? 0.3003 0.3697 0.8123 -0.0133 0.1104 0.1132 331 PRO A O 1993 C CB . PRO A 250 ? 0.3102 0.3730 0.8380 -0.0159 0.0798 0.1070 331 PRO A CB 1994 C CG . PRO A 250 ? 0.3132 0.3787 0.8639 -0.0179 0.0900 0.1157 331 PRO A CG 1995 C CD . PRO A 250 ? 0.2941 0.3611 0.8266 -0.0175 0.1067 0.1219 331 PRO A CD 1996 N N . SER A 251 ? 0.2175 0.2813 0.7022 -0.0115 0.0901 0.1006 332 SER A N 1997 C CA . SER A 251 ? 0.2426 0.3091 0.7303 -0.0098 0.0961 0.0995 332 SER A CA 1998 C C . SER A 251 ? 0.2468 0.3136 0.7534 -0.0091 0.0833 0.0945 332 SER A C 1999 O O . SER A 251 ? 0.2293 0.2960 0.7562 -0.0102 0.0737 0.0938 332 SER A O 2000 C CB . SER A 251 ? 0.2374 0.3019 0.6914 -0.0082 0.1001 0.0966 332 SER A CB 2001 O OG . SER A 251 ? 0.2529 0.3199 0.7104 -0.0066 0.1070 0.0957 332 SER A OG 2002 N N . THR A 252 ? 0.2323 0.2994 0.7324 -0.0072 0.0830 0.0908 333 THR A N 2003 C CA . THR A 252 ? 0.2183 0.2860 0.7361 -0.0062 0.0715 0.0865 333 THR A CA 2004 C C . THR A 252 ? 0.2182 0.2818 0.7200 -0.0055 0.0556 0.0803 333 THR A C 2005 O O . THR A 252 ? 0.2228 0.2831 0.6946 -0.0050 0.0551 0.0782 333 THR A O 2006 C CB . THR A 252 ? 0.2702 0.3400 0.7903 -0.0043 0.0777 0.0855 333 THR A CB 2007 O OG1 . THR A 252 ? 0.2435 0.3110 0.7318 -0.0032 0.0833 0.0839 333 THR A OG1 2008 C CG2 . THR A 252 ? 0.2882 0.3631 0.8321 -0.0048 0.0915 0.0911 333 THR A CG2 2009 N N . MET A 253 ? 0.2233 0.2871 0.7451 -0.0053 0.0427 0.0773 334 MET A N 2010 C CA . MET A 253 ? 0.2094 0.2700 0.7182 -0.0039 0.0273 0.0710 334 MET A CA 2011 C C . MET A 253 ? 0.2145 0.2756 0.7211 -0.0017 0.0255 0.0684 334 MET A C 2012 O O . MET A 253 ? 0.2236 0.2875 0.7553 -0.0010 0.0235 0.0685 334 MET A O 2013 C CB . MET A 253 ? 0.2168 0.2775 0.7478 -0.0043 0.0135 0.0685 334 MET A CB 2014 C CG . MET A 253 ? 0.2693 0.3273 0.7879 -0.0024 -0.0027 0.0619 334 MET A CG 2015 S SD . MET A 253 ? 0.4002 0.4590 0.9477 -0.0022 -0.0194 0.0581 334 MET A SD 2016 C CE . MET A 253 ? 0.3447 0.4078 0.9241 -0.0014 -0.0176 0.0596 334 MET A CE 2017 N N . SER A 254 ? 0.2620 0.3204 0.7393 -0.0005 0.0265 0.0663 335 SER A N 2018 C CA . SER A 254 ? 0.2569 0.3153 0.7299 0.0016 0.0255 0.0642 335 SER A CA 2019 C C . SER A 254 ? 0.2703 0.3249 0.7195 0.0030 0.0137 0.0595 335 SER A C 2020 O O . SER A 254 ? 0.2404 0.2926 0.6624 0.0032 0.0176 0.0589 335 SER A O 2021 C CB . SER A 254 ? 0.2994 0.3587 0.7613 0.0017 0.0410 0.0667 335 SER A CB 2022 O OG . SER A 254 ? 0.3213 0.3841 0.8018 0.0004 0.0530 0.0715 335 SER A OG 2023 N N . CYS A 255 ? 0.2029 0.2573 0.6625 0.0042 -0.0006 0.0563 337 CYS A N 2024 C CA . CYS A 255 ? 0.2471 0.2983 0.6853 0.0059 -0.0124 0.0522 337 CYS A CA 2025 C C . CYS A 255 ? 0.2315 0.2819 0.6592 0.0079 -0.0118 0.0514 337 CYS A C 2026 O O . CYS A 255 ? 0.2259 0.2735 0.6303 0.0091 -0.0174 0.0491 337 CYS A O 2027 C CB . CYS A 255 ? 0.2366 0.2880 0.6895 0.0069 -0.0282 0.0488 337 CYS A CB 2028 S SG . CYS A 255 ? 0.2538 0.3058 0.7211 0.0046 -0.0310 0.0489 337 CYS A SG 2029 N N . ASP A 256 ? 0.2043 0.2572 0.6500 0.0084 -0.0053 0.0534 338 ASP A N 2030 C CA . ASP A 256 ? 0.2056 0.2578 0.6476 0.0106 -0.0077 0.0524 338 ASP A CA 2031 C C . ASP A 256 ? 0.1790 0.2318 0.6178 0.0106 0.0066 0.0545 338 ASP A C 2032 O O . ASP A 256 ? 0.2569 0.3093 0.6955 0.0124 0.0058 0.0539 338 ASP A O 2033 C CB . ASP A 256 ? 0.2888 0.3432 0.7581 0.0121 -0.0176 0.0515 338 ASP A CB 2034 C CG . ASP A 256 ? 0.3255 0.3795 0.7999 0.0124 -0.0323 0.0488 338 ASP A CG 2035 O OD1 . ASP A 256 ? 0.4251 0.4818 0.9253 0.0115 -0.0345 0.0492 338 ASP A OD1 2036 O OD2 . ASP A 256 ? 0.3256 0.3768 0.7786 0.0136 -0.0416 0.0461 338 ASP A OD2 2037 N N . SER A 257 ? 0.1650 0.2189 0.6010 0.0088 0.0194 0.0568 339 SER A N 2038 C CA . SER A 257 ? 0.1841 0.2390 0.6180 0.0090 0.0335 0.0584 339 SER A CA 2039 C C . SER A 257 ? 0.1810 0.2358 0.5997 0.0072 0.0452 0.0603 339 SER A C 2040 O O . SER A 257 ? 0.1911 0.2459 0.6090 0.0056 0.0438 0.0614 339 SER A O 2041 C CB . SER A 257 ? 0.2483 0.3073 0.7135 0.0095 0.0385 0.0603 339 SER A CB 2042 O OG . SER A 257 ? 0.3131 0.3748 0.8005 0.0081 0.0367 0.0621 339 SER A OG 2043 N N . PRO A 258 ? 0.2149 0.2694 0.6212 0.0077 0.0566 0.0605 340 PRO A N 2044 C CA . PRO A 258 ? 0.2080 0.2629 0.6011 0.0063 0.0685 0.0625 340 PRO A CA 2045 C C . PRO A 258 ? 0.2366 0.2956 0.6529 0.0051 0.0759 0.0665 340 PRO A C 2046 O O . PRO A 258 ? 0.2036 0.2656 0.6465 0.0057 0.0759 0.0675 340 PRO A O 2047 C CB . PRO A 258 ? 0.2280 0.2827 0.6097 0.0076 0.0788 0.0614 340 PRO A CB 2048 C CG . PRO A 258 ? 0.2472 0.3022 0.6433 0.0095 0.0741 0.0597 340 PRO A CG 2049 C CD . PRO A 258 ? 0.2086 0.2622 0.6112 0.0096 0.0584 0.0586 340 PRO A CD 2050 N N . SER A 259 ? 0.1908 0.2499 0.5980 0.0036 0.0822 0.0691 341 SER A N 2051 C CA . SER A 259 ? 0.2018 0.2646 0.6304 0.0023 0.0895 0.0738 341 SER A CA 2052 C C . SER A 259 ? 0.2698 0.3364 0.7114 0.0033 0.1033 0.0759 341 SER A C 2053 O O . SER A 259 ? 0.2263 0.2968 0.6922 0.0027 0.1090 0.0797 341 SER A O 2054 C CB . SER A 259 ? 0.2034 0.2652 0.6163 0.0006 0.0944 0.0765 341 SER A CB 2055 O OG . SER A 259 ? 0.1935 0.2550 0.5852 0.0013 0.1060 0.0769 341 SER A OG 2056 N N . ASN A 260 ? 0.2025 0.2681 0.6285 0.0049 0.1085 0.0733 342 ASN A N 2057 C CA . ASN A 260 ? 0.2252 0.2942 0.6595 0.0063 0.1222 0.0743 342 ASN A CA 2058 C C . ASN A 260 ? 0.3009 0.3725 0.7315 0.0056 0.1365 0.0788 342 ASN A C 2059 O O . ASN A 260 ? 0.3127 0.3885 0.7577 0.0064 0.1482 0.0811 342 ASN A O 2060 C CB . ASN A 260 ? 0.2208 0.2933 0.6876 0.0071 0.1206 0.0747 342 ASN A CB 2061 C CG . ASN A 260 ? 0.2139 0.2838 0.6816 0.0085 0.1088 0.0704 342 ASN A CG 2062 O OD1 . ASN A 260 ? 0.2699 0.3371 0.7183 0.0098 0.1090 0.0671 342 ASN A OD1 2063 N ND2 . ASN A 260 ? 0.2536 0.3244 0.7438 0.0084 0.0980 0.0704 342 ASN A ND2 2064 N N . VAL A 261 ? 0.3135 0.3829 0.7241 0.0042 0.1358 0.0801 343 VAL A N 2065 C CA . VAL A 261 ? 0.3049 0.3763 0.7076 0.0038 0.1488 0.0845 343 VAL A CA 2066 C C . VAL A 261 ? 0.3498 0.4173 0.7199 0.0033 0.1475 0.0832 343 VAL A C 2067 O O . VAL A 261 ? 0.3250 0.3888 0.6851 0.0024 0.1354 0.0808 343 VAL A O 2068 C CB . VAL A 261 ? 0.3655 0.4397 0.7908 0.0019 0.1502 0.0904 343 VAL A CB 2069 C CG1 . VAL A 261 ? 0.3122 0.3831 0.7363 0.0001 0.1360 0.0898 343 VAL A CG1 2070 C CG2 . VAL A 261 ? 0.3888 0.4655 0.8070 0.0018 0.1649 0.0959 343 VAL A CG2 2071 N N . ASN A 262 ? 0.3554 0.4241 0.7095 0.0041 0.1599 0.0848 344 ASN A N 2072 C CA . ASN A 262 ? 0.3297 0.3951 0.6528 0.0040 0.1599 0.0835 344 ASN A CA 2073 C C . ASN A 262 ? 0.3596 0.4204 0.6648 0.0042 0.1487 0.0773 344 ASN A C 2074 O O . ASN A 262 ? 0.3025 0.3601 0.5914 0.0031 0.1414 0.0766 344 ASN A O 2075 C CB . ASN A 262 ? 0.3364 0.4012 0.6574 0.0019 0.1582 0.0883 344 ASN A CB 2076 C CG . ASN A 262 ? 0.3752 0.4444 0.7120 0.0017 0.1702 0.0953 344 ASN A CG 2077 O OD1 . ASN A 262 ? 0.4019 0.4732 0.7277 0.0029 0.1827 0.0974 344 ASN A OD1 2078 N ND2 . ASN A 262 ? 0.3459 0.4168 0.7089 0.0001 0.1663 0.0989 344 ASN A ND2 2079 N N . GLY A 263 ? 0.3588 0.4194 0.6676 0.0058 0.1477 0.0732 345 GLY A N 2080 C CA . GLY A 263 ? 0.3802 0.4368 0.6766 0.0061 0.1369 0.0680 345 GLY A CA 2081 C C . GLY A 263 ? 0.3734 0.4269 0.6399 0.0066 0.1384 0.0646 345 GLY A C 2082 O O . GLY A 263 ? 0.3939 0.4439 0.6476 0.0063 0.1287 0.0615 345 GLY A O 2083 N N . GLY A 264 ? 0.3746 0.4296 0.6299 0.0076 0.1505 0.0650 346 GLY A N 2084 C CA . GLY A 264 ? 0.3762 0.4286 0.6047 0.0084 0.1520 0.0610 346 GLY A CA 2085 C C . GLY A 264 ? 0.4000 0.4528 0.6103 0.0082 0.1593 0.0634 346 GLY A C 2086 O O . GLY A 264 ? 0.4174 0.4735 0.6365 0.0080 0.1672 0.0683 346 GLY A O 2087 N N . PRO A 265 ? 0.3839 0.4337 0.5692 0.0082 0.1569 0.0602 347 PRO A N 2088 C CA . PRO A 265 ? 0.3145 0.3605 0.4886 0.0083 0.1484 0.0548 347 PRO A CA 2089 C C . PRO A 265 ? 0.3049 0.3481 0.4765 0.0065 0.1353 0.0550 347 PRO A C 2090 O O . PRO A 265 ? 0.3061 0.3465 0.4720 0.0065 0.1274 0.0514 347 PRO A O 2091 C CB . PRO A 265 ? 0.3585 0.4033 0.5072 0.0092 0.1537 0.0519 347 PRO A CB 2092 C CG . PRO A 265 ? 0.3904 0.4367 0.5324 0.0085 0.1582 0.0566 347 PRO A CG 2093 C CD . PRO A 265 ? 0.3586 0.4087 0.5244 0.0083 0.1633 0.0620 347 PRO A CD 2094 N N . GLY A 266 ? 0.3013 0.3452 0.4770 0.0050 0.1334 0.0593 348 GLY A N 2095 C CA . GLY A 266 ? 0.2340 0.2755 0.4083 0.0035 0.1212 0.0593 348 GLY A CA 2096 C C . GLY A 266 ? 0.2123 0.2509 0.3613 0.0030 0.1179 0.0574 348 GLY A C 2097 O O . GLY A 266 ? 0.2213 0.2597 0.3536 0.0037 0.1245 0.0559 348 GLY A O 2098 N N . VAL A 267 ? 0.1942 0.2309 0.3410 0.0018 0.1076 0.0574 349 VAL A N 2099 C CA . VAL A 267 ? 0.1819 0.2160 0.3065 0.0012 0.1033 0.0555 349 VAL A CA 2100 C C . VAL A 267 ? 0.1617 0.1936 0.2872 0.0007 0.0907 0.0534 349 VAL A C 2101 O O . VAL A 267 ? 0.1717 0.2044 0.3145 0.0004 0.0852 0.0546 349 VAL A O 2102 C CB . VAL A 267 ? 0.2018 0.2365 0.3208 0.0002 0.1065 0.0593 349 VAL A CB 2103 C CG1 . VAL A 267 ? 0.2248 0.2600 0.3610 -0.0010 0.1005 0.0625 349 VAL A CG1 2104 C CG2 . VAL A 267 ? 0.2077 0.2399 0.3028 -0.0001 0.1033 0.0572 349 VAL A CG2 2105 N N . LYS A 268 ? 0.1620 0.1914 0.2690 0.0007 0.0859 0.0502 350 LYS A N 2106 C CA . LYS A 268 ? 0.1470 0.1746 0.2531 0.0004 0.0742 0.0485 350 LYS A CA 2107 C C . LYS A 268 ? 0.1552 0.1830 0.2656 -0.0007 0.0693 0.0506 350 LYS A C 2108 O O . LYS A 268 ? 0.1734 0.2012 0.2752 -0.0014 0.0730 0.0523 350 LYS A O 2109 C CB . LYS A 268 ? 0.1639 0.1891 0.2486 0.0005 0.0711 0.0450 350 LYS A CB 2110 C CG . LYS A 268 ? 0.1545 0.1781 0.2356 0.0005 0.0598 0.0434 350 LYS A CG 2111 C CD . LYS A 268 ? 0.1488 0.1703 0.2090 0.0005 0.0580 0.0406 350 LYS A CD 2112 C CE . LYS A 268 ? 0.1525 0.1729 0.2080 0.0006 0.0475 0.0392 350 LYS A CE 2113 N NZ . LYS A 268 ? 0.1272 0.1476 0.1953 0.0016 0.0413 0.0390 350 LYS A NZ 2114 N N . GLY A 269 ? 0.1452 0.1730 0.2688 -0.0006 0.0605 0.0504 351 GLY A N 2115 C CA . GLY A 269 ? 0.1422 0.1701 0.2715 -0.0015 0.0546 0.0516 351 GLY A CA 2116 C C . GLY A 269 ? 0.1699 0.1968 0.3033 -0.0009 0.0425 0.0489 351 GLY A C 2117 O O . GLY A 269 ? 0.1664 0.1925 0.2951 0.0001 0.0389 0.0465 351 GLY A O 2118 N N . PHE A 270 ? 0.1660 0.1930 0.3084 -0.0014 0.0362 0.0493 352 PHE A N 2119 C CA . PHE A 270 ? 0.1512 0.1773 0.2940 -0.0006 0.0242 0.0461 352 PHE A CA 2120 C C . PHE A 270 ? 0.1606 0.1877 0.3234 -0.0010 0.0186 0.0469 352 PHE A C 2121 O O . PHE A 270 ? 0.1704 0.1986 0.3452 -0.0021 0.0242 0.0502 352 PHE A O 2122 C CB . PHE A 270 ? 0.1424 0.1667 0.2632 -0.0005 0.0202 0.0437 352 PHE A CB 2123 C CG . PHE A 270 ? 0.1222 0.1461 0.2425 -0.0016 0.0205 0.0448 352 PHE A CG 2124 C CD1 . PHE A 270 ? 0.1336 0.1573 0.2625 -0.0015 0.0115 0.0433 352 PHE A CD1 2125 C CD2 . PHE A 270 ? 0.1517 0.1756 0.2641 -0.0027 0.0297 0.0476 352 PHE A CD2 2126 C CE1 . PHE A 270 ? 0.1399 0.1631 0.2704 -0.0026 0.0118 0.0446 352 PHE A CE1 2127 C CE2 . PHE A 270 ? 0.1419 0.1655 0.2551 -0.0037 0.0300 0.0493 352 PHE A CE2 2128 C CZ . PHE A 270 ? 0.1428 0.1660 0.2655 -0.0037 0.0211 0.0479 352 PHE A CZ 2129 N N . GLY A 271 ? 0.1523 0.1790 0.3188 0.0001 0.0073 0.0437 353 GLY A N 2130 C CA . GLY A 271 ? 0.1915 0.2187 0.3747 -0.0001 0.0001 0.0432 353 GLY A CA 2131 C C . GLY A 271 ? 0.1543 0.1804 0.3308 0.0016 -0.0125 0.0385 353 GLY A C 2132 O O . GLY A 271 ? 0.1775 0.2028 0.3379 0.0028 -0.0148 0.0365 353 GLY A O 2133 N N . PHE A 272 ? 0.1414 0.1677 0.3305 0.0017 -0.0204 0.0368 354 PHE A N 2134 C CA . PHE A 272 ? 0.1634 0.1891 0.3483 0.0036 -0.0330 0.0319 354 PHE A CA 2135 C C . PHE A 272 ? 0.1981 0.2251 0.4075 0.0042 -0.0412 0.0305 354 PHE A C 2136 O O . PHE A 272 ? 0.2079 0.2352 0.4335 0.0029 -0.0411 0.0314 354 PHE A O 2137 C CB . PHE A 272 ? 0.1561 0.1803 0.3268 0.0036 -0.0366 0.0293 354 PHE A CB 2138 C CG . PHE A 272 ? 0.1801 0.2032 0.3260 0.0032 -0.0302 0.0298 354 PHE A CG 2139 C CD1 . PHE A 272 ? 0.1419 0.1645 0.2700 0.0048 -0.0329 0.0278 354 PHE A CD1 2140 C CD2 . PHE A 272 ? 0.1913 0.2138 0.3322 0.0014 -0.0219 0.0327 354 PHE A CD2 2141 C CE1 . PHE A 272 ? 0.1534 0.1751 0.2604 0.0044 -0.0273 0.0282 354 PHE A CE1 2142 C CE2 . PHE A 272 ? 0.1516 0.1731 0.2706 0.0012 -0.0166 0.0329 354 PHE A CE2 2143 C CZ . PHE A 272 ? 0.1506 0.1718 0.2532 0.0026 -0.0194 0.0305 354 PHE A CZ 2144 N N . LYS A 273 ? 0.1807 0.2083 0.3932 0.0062 -0.0485 0.0283 355 LYS A N 2145 C CA . LYS A 273 ? 0.2324 0.2611 0.4662 0.0072 -0.0584 0.0259 355 LYS A CA 2146 C C . LYS A 273 ? 0.2193 0.2470 0.4489 0.0081 -0.0684 0.0211 355 LYS A C 2147 O O . LYS A 273 ? 0.2353 0.2619 0.4428 0.0093 -0.0712 0.0184 355 LYS A O 2148 C CB . LYS A 273 ? 0.2079 0.2374 0.4420 0.0096 -0.0648 0.0246 355 LYS A CB 2149 C CG . LYS A 273 ? 0.2470 0.2777 0.5012 0.0112 -0.0769 0.0213 355 LYS A CG 2150 C CD . LYS A 273 ? 0.2486 0.2798 0.4988 0.0139 -0.0839 0.0201 355 LYS A CD 2151 C CE . LYS A 273 ? 0.2616 0.2942 0.5312 0.0158 -0.0968 0.0165 355 LYS A CE 2152 N NZ . LYS A 273 ? 0.2955 0.3274 0.5590 0.0173 -0.1077 0.0108 355 LYS A NZ 2153 N N . ALA A 274 ? 0.2124 0.2407 0.4638 0.0076 -0.0734 0.0198 356 ALA A N 2154 C CA . ALA A 274 ? 0.2197 0.2471 0.4702 0.0086 -0.0837 0.0145 356 ALA A CA 2155 C C . ALA A 274 ? 0.2196 0.2482 0.4955 0.0096 -0.0942 0.0114 356 ALA A C 2156 O O . ALA A 274 ? 0.2339 0.2631 0.5331 0.0077 -0.0921 0.0134 356 ALA A O 2157 C CB . ALA A 274 ? 0.2209 0.2470 0.4709 0.0064 -0.0779 0.0161 356 ALA A CB 2158 N N . GLY A 275 ? 0.2635 0.2925 0.5351 0.0126 -0.1055 0.0066 357 GLY A N 2159 C CA . GLY A 275 ? 0.3081 0.3386 0.6036 0.0138 -0.1159 0.0036 357 GLY A CA 2160 C C . GLY A 275 ? 0.2945 0.3267 0.6099 0.0123 -0.1090 0.0089 357 GLY A C 2161 O O . GLY A 275 ? 0.2695 0.3021 0.5751 0.0126 -0.1031 0.0121 357 GLY A O 2162 N N . ASP A 276 ? 0.2804 0.3136 0.6245 0.0107 -0.1095 0.0098 358 ASP A N 2163 C CA . ASP A 276 ? 0.2516 0.2869 0.6168 0.0091 -0.1018 0.0151 358 ASP A CA 2164 C C . ASP A 276 ? 0.2582 0.2933 0.6232 0.0059 -0.0862 0.0216 358 ASP A C 2165 O O . ASP A 276 ? 0.2289 0.2656 0.6080 0.0044 -0.0771 0.0266 358 ASP A O 2166 C CB . ASP A 276 ? 0.3075 0.3444 0.7057 0.0089 -0.1098 0.0133 358 ASP A CB 2167 C CG . ASP A 276 ? 0.4051 0.4427 0.8055 0.0124 -0.1253 0.0071 358 ASP A CG 2168 O OD1 . ASP A 276 ? 0.4282 0.4656 0.8086 0.0147 -0.1276 0.0063 358 ASP A OD1 2169 O OD2 . ASP A 276 ? 0.3975 0.4358 0.8200 0.0128 -0.1354 0.0032 358 ASP A OD2 2170 N N . ASP A 277 ? 0.2213 0.2543 0.5699 0.0049 -0.0831 0.0214 359 ASP A N 2171 C CA . ASP A 277 ? 0.1869 0.2197 0.5338 0.0021 -0.0691 0.0274 359 ASP A CA 2172 C C . ASP A 277 ? 0.1798 0.2119 0.5007 0.0022 -0.0595 0.0301 359 ASP A C 2173 O O . ASP A 277 ? 0.2102 0.2418 0.5138 0.0043 -0.0639 0.0273 359 ASP A O 2174 C CB . ASP A 277 ? 0.1990 0.2297 0.5425 0.0011 -0.0707 0.0261 359 ASP A CB 2175 C CG . ASP A 277 ? 0.2629 0.2938 0.6294 0.0014 -0.0823 0.0218 359 ASP A CG 2176 O OD1 . ASP A 277 ? 0.2837 0.3164 0.6779 0.0006 -0.0830 0.0235 359 ASP A OD1 2177 O OD2 . ASP A 277 ? 0.2800 0.3091 0.6374 0.0026 -0.0907 0.0166 359 ASP A OD2 2178 N N . VAL A 278 ? 0.1664 0.1986 0.4851 0.0000 -0.0465 0.0356 360 VAL A N 2179 C CA . VAL A 278 ? 0.1946 0.2260 0.4882 0.0000 -0.0374 0.0377 360 VAL A CA 2180 C C . VAL A 278 ? 0.1720 0.2024 0.4559 -0.0019 -0.0277 0.0414 360 VAL A C 2181 O O . VAL A 278 ? 0.1720 0.2032 0.4725 -0.0038 -0.0215 0.0456 360 VAL A O 2182 C CB . VAL A 278 ? 0.1928 0.2260 0.4915 0.0001 -0.0297 0.0409 360 VAL A CB 2183 C CG1 . VAL A 278 ? 0.1872 0.2224 0.5079 -0.0019 -0.0197 0.0465 360 VAL A CG1 2184 C CG2 . VAL A 278 ? 0.1832 0.2153 0.4552 0.0005 -0.0225 0.0417 360 VAL A CG2 2185 N N . TRP A 279 ? 0.1850 0.2137 0.4423 -0.0014 -0.0263 0.0401 361 TRP A N 2186 C CA . TRP A 279 ? 0.1898 0.2176 0.4351 -0.0030 -0.0162 0.0438 361 TRP A CA 2187 C C . TRP A 279 ? 0.1939 0.2225 0.4290 -0.0033 -0.0048 0.0472 361 TRP A C 2188 O O . TRP A 279 ? 0.1775 0.2060 0.4007 -0.0019 -0.0063 0.0451 361 TRP A O 2189 C CB . TRP A 279 ? 0.1783 0.2039 0.4007 -0.0024 -0.0207 0.0403 361 TRP A CB 2190 C CG . TRP A 279 ? 0.2005 0.2250 0.4304 -0.0021 -0.0306 0.0368 361 TRP A CG 2191 C CD1 . TRP A 279 ? 0.1985 0.2230 0.4341 -0.0003 -0.0431 0.0312 361 TRP A CD1 2192 C CD2 . TRP A 279 ? 0.1969 0.2202 0.4285 -0.0034 -0.0291 0.0383 361 TRP A CD2 2193 N NE1 . TRP A 279 ? 0.2187 0.2420 0.4600 -0.0005 -0.0495 0.0286 361 TRP A NE1 2194 C CE2 . TRP A 279 ? 0.2093 0.2318 0.4489 -0.0024 -0.0411 0.0331 361 TRP A CE2 2195 C CE3 . TRP A 279 ? 0.1731 0.1959 0.4003 -0.0052 -0.0190 0.0436 361 TRP A CE3 2196 C CZ2 . TRP A 279 ? 0.2049 0.2258 0.4491 -0.0033 -0.0431 0.0328 361 TRP A CZ2 2197 C CZ3 . TRP A 279 ? 0.1688 0.1901 0.4003 -0.0060 -0.0211 0.0439 361 TRP A CZ3 2198 C CH2 . TRP A 279 ? 0.2098 0.2301 0.4503 -0.0051 -0.0330 0.0386 361 TRP A CH2 2199 N N . LEU A 280 ? 0.1369 0.1664 0.3762 -0.0048 0.0064 0.0526 362 LEU A N 2200 C CA . LEU A 280 ? 0.1324 0.1628 0.3629 -0.0049 0.0175 0.0554 362 LEU A CA 2201 C C . LEU A 280 ? 0.1446 0.1743 0.3593 -0.0058 0.0269 0.0587 362 LEU A C 2202 O O . LEU A 280 ? 0.1706 0.2005 0.3936 -0.0071 0.0306 0.0624 362 LEU A O 2203 C CB . LEU A 280 ? 0.1544 0.1875 0.4084 -0.0052 0.0235 0.0589 362 LEU A CB 2204 C CG . LEU A 280 ? 0.1744 0.2086 0.4438 -0.0040 0.0154 0.0560 362 LEU A CG 2205 C CD1 . LEU A 280 ? 0.1982 0.2353 0.4969 -0.0048 0.0196 0.0596 362 LEU A CD1 2206 C CD2 . LEU A 280 ? 0.1656 0.1993 0.4197 -0.0025 0.0159 0.0537 362 LEU A CD2 2207 N N . GLY A 281 ? 0.1616 0.1903 0.3534 -0.0052 0.0305 0.0573 363 GLY A N 2208 C CA . GLY A 281 ? 0.1739 0.2024 0.3509 -0.0059 0.0400 0.0603 363 GLY A CA 2209 C C . GLY A 281 ? 0.1793 0.2100 0.3642 -0.0061 0.0518 0.0646 363 GLY A C 2210 O O . GLY A 281 ? 0.1812 0.2133 0.3758 -0.0054 0.0528 0.0639 363 GLY A O 2211 N N . ARG A 282 ? 0.1707 0.2019 0.3513 -0.0068 0.0609 0.0691 364 ARG A N 2212 C CA . ARG A 282 ? 0.1825 0.2160 0.3662 -0.0066 0.0731 0.0729 364 ARG A CA 2213 C C . ARG A 282 ? 0.1759 0.2095 0.3472 -0.0070 0.0821 0.0772 364 ARG A C 2214 O O . ARG A 282 ? 0.1901 0.2223 0.3583 -0.0078 0.0790 0.0788 364 ARG A O 2215 C CB . ARG A 282 ? 0.2140 0.2501 0.4261 -0.0071 0.0754 0.0761 364 ARG A CB 2216 C CG . ARG A 282 ? 0.2016 0.2378 0.4319 -0.0084 0.0718 0.0794 364 ARG A CG 2217 C CD . ARG A 282 ? 0.2465 0.2855 0.5064 -0.0089 0.0741 0.0823 364 ARG A CD 2218 N NE . ARG A 282 ? 0.2475 0.2871 0.5246 -0.0104 0.0754 0.0875 364 ARG A NE 2219 C CZ . ARG A 282 ? 0.2359 0.2780 0.5407 -0.0112 0.0777 0.0911 364 ARG A CZ 2220 N NH1 . ARG A 282 ? 0.2107 0.2551 0.5295 -0.0105 0.0786 0.0899 364 ARG A NH1 2221 N NH2 . ARG A 282 ? 0.2689 0.3113 0.5885 -0.0126 0.0790 0.0960 364 ARG A NH2 2222 N N . THR A 283 ? 0.2025 0.2376 0.3662 -0.0062 0.0927 0.0789 365 THR A N 2223 C CA . THR A 283 ? 0.1928 0.2287 0.3467 -0.0062 0.1024 0.0837 365 THR A CA 2224 C C . THR A 283 ? 0.2249 0.2624 0.3998 -0.0074 0.1059 0.0903 365 THR A C 2225 O O . THR A 283 ? 0.2471 0.2861 0.4450 -0.0078 0.1042 0.0912 365 THR A O 2226 C CB . THR A 283 ? 0.2447 0.2826 0.3908 -0.0049 0.1136 0.0841 365 THR A CB 2227 O OG1 . THR A 283 ? 0.2473 0.2879 0.4153 -0.0047 0.1176 0.0856 365 THR A OG1 2228 C CG2 . THR A 283 ? 0.2424 0.2785 0.3687 -0.0038 0.1109 0.0776 365 THR A CG2 2229 N N . VAL A 284 ? 0.2180 0.2552 0.3856 -0.0078 0.1104 0.0951 366 VAL A N 2230 C CA . VAL A 284 ? 0.2232 0.2620 0.4110 -0.0088 0.1146 0.1023 366 VAL A CA 2231 C C . VAL A 284 ? 0.2661 0.3087 0.4649 -0.0082 0.1268 0.1065 366 VAL A C 2232 O O . VAL A 284 ? 0.2627 0.3073 0.4868 -0.0090 0.1282 0.1097 366 VAL A O 2233 C CB . VAL A 284 ? 0.2585 0.2960 0.4356 -0.0093 0.1168 0.1071 366 VAL A CB 2234 C CG1 . VAL A 284 ? 0.2528 0.2923 0.4499 -0.0102 0.1241 0.1157 366 VAL A CG1 2235 C CG2 . VAL A 284 ? 0.2130 0.2470 0.3859 -0.0101 0.1043 0.1032 366 VAL A CG2 2236 N N . SER A 285 ? 0.2524 0.2960 0.4325 -0.0066 0.1355 0.1062 367 SER A N 2237 C CA . SER A 285 ? 0.3048 0.3521 0.4923 -0.0055 0.1474 0.1092 367 SER A CA 2238 C C . SER A 285 ? 0.3186 0.3671 0.5221 -0.0053 0.1444 0.1047 367 SER A C 2239 O O . SER A 285 ? 0.2859 0.3321 0.4830 -0.0051 0.1353 0.0981 367 SER A O 2240 C CB . SER A 285 ? 0.3195 0.3673 0.4814 -0.0035 0.1558 0.1081 367 SER A CB 2241 O OG . SER A 285 ? 0.3579 0.4095 0.5261 -0.0021 0.1671 0.1097 367 SER A OG 2242 N N . THR A 286 ? 0.2491 0.3012 0.4735 -0.0051 0.1522 0.1087 368 THR A N 2243 C CA . THR A 286 ? 0.2697 0.3233 0.5110 -0.0047 0.1505 0.1052 368 THR A CA 2244 C C . THR A 286 ? 0.2577 0.3129 0.4863 -0.0026 0.1588 0.1021 368 THR A C 2245 O O . THR A 286 ? 0.2666 0.3228 0.5054 -0.0018 0.1577 0.0984 368 THR A O 2246 C CB . THR A 286 ? 0.2935 0.3507 0.5661 -0.0055 0.1553 0.1108 368 THR A CB 2247 O OG1 . THR A 286 ? 0.3114 0.3718 0.5827 -0.0048 0.1698 0.1176 368 THR A OG1 2248 C CG2 . THR A 286 ? 0.2748 0.3305 0.5644 -0.0077 0.1461 0.1131 368 THR A CG2 2249 N N . SER A 287 ? 0.2520 0.3074 0.4589 -0.0014 0.1671 0.1035 369 SER A N 2250 C CA . SER A 287 ? 0.2912 0.3481 0.4854 0.0009 0.1757 0.1005 369 SER A CA 2251 C C . SER A 287 ? 0.2885 0.3423 0.4535 0.0018 0.1722 0.0947 369 SER A C 2252 O O . SER A 287 ? 0.3293 0.3829 0.4865 0.0033 0.1733 0.0891 369 SER A O 2253 C CB . SER A 287 ? 0.3949 0.4558 0.5894 0.0022 0.1906 0.1068 369 SER A CB 2254 O OG . SER A 287 ? 0.3899 0.4497 0.5683 0.0019 0.1926 0.1112 369 SER A OG 2255 N N . GLY A 288 ? 0.3230 0.3744 0.4729 0.0010 0.1679 0.0960 370 GLY A N 2256 C CA . GLY A 288 ? 0.3257 0.3744 0.4480 0.0018 0.1656 0.0912 370 GLY A CA 2257 C C . GLY A 288 ? 0.2664 0.3112 0.3810 0.0004 0.1524 0.0877 370 GLY A C 2258 O O . GLY A 288 ? 0.2557 0.2996 0.3850 -0.0013 0.1447 0.0890 370 GLY A O 2259 N N . ARG A 289 ? 0.3352 0.3778 0.4266 0.0011 0.1500 0.0828 371 ARG A N 2260 C CA . ARG A 289 ? 0.2853 0.3245 0.3668 0.0000 0.1385 0.0792 371 ARG A CA 2261 C C . ARG A 289 ? 0.3107 0.3487 0.3808 -0.0006 0.1376 0.0829 371 ARG A C 2262 O O . ARG A 289 ? 0.2576 0.2939 0.3065 -0.0001 0.1360 0.0803 371 ARG A O 2263 C CB . ARG A 289 ? 0.2582 0.2956 0.3227 0.0010 0.1360 0.0721 371 ARG A CB 2264 C CG . ARG A 289 ? 0.2564 0.2944 0.3335 0.0015 0.1356 0.0685 371 ARG A CG 2265 C CD . ARG A 289 ? 0.2636 0.2998 0.3256 0.0025 0.1338 0.0620 371 ARG A CD 2266 N NE . ARG A 289 ? 0.2368 0.2732 0.3124 0.0029 0.1316 0.0590 371 ARG A NE 2267 C CZ . ARG A 289 ? 0.2376 0.2723 0.3052 0.0036 0.1293 0.0536 371 ARG A CZ 2268 N NH1 . ARG A 289 ? 0.2394 0.2723 0.2860 0.0040 0.1290 0.0503 371 ARG A NH1 2269 N NH2 . ARG A 289 ? 0.2423 0.2771 0.3238 0.0040 0.1272 0.0516 371 ARG A NH2 2270 N N . SER A 290 ? 0.2422 0.2812 0.3277 -0.0017 0.1386 0.0891 372 SER A N 2271 C CA . SER A 290 ? 0.2883 0.3262 0.3672 -0.0024 0.1371 0.0933 372 SER A CA 2272 C C . SER A 290 ? 0.2682 0.3049 0.3653 -0.0043 0.1284 0.0950 372 SER A C 2273 O O . SER A 290 ? 0.2510 0.2889 0.3704 -0.0050 0.1277 0.0962 372 SER A O 2274 C CB . SER A 290 ? 0.3565 0.3969 0.4340 -0.0016 0.1489 0.1006 372 SER A CB 2275 O OG . SER A 290 ? 0.3602 0.4035 0.4610 -0.0019 0.1546 0.1052 372 SER A OG 2276 N N . GLY A 291 ? 0.2651 0.2992 0.3527 -0.0050 0.1216 0.0947 373 GLY A N 2277 C CA . GLY A 291 ? 0.2442 0.2768 0.3464 -0.0066 0.1125 0.0954 373 GLY A CA 2278 C C . GLY A 291 ? 0.2474 0.2786 0.3547 -0.0069 0.1022 0.0885 373 GLY A C 2279 O O . GLY A 291 ? 0.2095 0.2414 0.3143 -0.0061 0.1030 0.0845 373 GLY A O 2280 N N . PHE A 292 ? 0.2368 0.2660 0.3506 -0.0079 0.0924 0.0872 374 PHE A N 2281 C CA . PHE A 292 ? 0.2300 0.2584 0.3517 -0.0080 0.0824 0.0815 374 PHE A CA 2282 C C . PHE A 292 ? 0.2146 0.2420 0.3540 -0.0091 0.0745 0.0824 374 PHE A C 2283 O O . PHE A 292 ? 0.2250 0.2509 0.3609 -0.0096 0.0719 0.0840 374 PHE A O 2284 C CB . PHE A 292 ? 0.2164 0.2428 0.3169 -0.0073 0.0762 0.0750 374 PHE A CB 2285 C CG . PHE A 292 ? 0.1717 0.1979 0.2785 -0.0069 0.0686 0.0698 374 PHE A CG 2286 C CD1 . PHE A 292 ? 0.1999 0.2274 0.3079 -0.0062 0.0725 0.0682 374 PHE A CD1 2287 C CD2 . PHE A 292 ? 0.1979 0.2227 0.3114 -0.0072 0.0576 0.0667 374 PHE A CD2 2288 C CE1 . PHE A 292 ? 0.1936 0.2209 0.3085 -0.0057 0.0656 0.0642 374 PHE A CE1 2289 C CE2 . PHE A 292 ? 0.1630 0.1878 0.2824 -0.0066 0.0506 0.0623 374 PHE A CE2 2290 C CZ . PHE A 292 ? 0.1556 0.1816 0.2757 -0.0059 0.0547 0.0614 374 PHE A CZ 2291 N N . GLU A 293 ? 0.1923 0.2207 0.3517 -0.0093 0.0702 0.0810 375 GLU A N 2292 C CA . GLU A 293 ? 0.1670 0.1946 0.3448 -0.0102 0.0616 0.0806 375 GLU A CA 2293 C C . GLU A 293 ? 0.1790 0.2062 0.3623 -0.0095 0.0519 0.0743 375 GLU A C 2294 O O . GLU A 293 ? 0.1880 0.2162 0.3667 -0.0087 0.0538 0.0720 375 GLU A O 2295 C CB . GLU A 293 ? 0.1952 0.2248 0.3980 -0.0113 0.0675 0.0871 375 GLU A CB 2296 C CG . GLU A 293 ? 0.2129 0.2452 0.4297 -0.0109 0.0723 0.0877 375 GLU A CG 2297 C CD . GLU A 293 ? 0.2972 0.3319 0.5384 -0.0120 0.0796 0.0946 375 GLU A CD 2298 O OE1 . GLU A 293 ? 0.3163 0.3507 0.5596 -0.0128 0.0838 0.1003 375 GLU A OE1 2299 O OE2 . GLU A 293 ? 0.3172 0.3543 0.5761 -0.0119 0.0813 0.0948 375 GLU A OE2 2300 N N . ILE A 294 ? 0.1937 0.2196 0.3867 -0.0097 0.0413 0.0714 376 ILE A N 2301 C CA . ILE A 294 ? 0.1972 0.2233 0.3993 -0.0089 0.0317 0.0661 376 ILE A CA 2302 C C . ILE A 294 ? 0.2243 0.2509 0.4541 -0.0097 0.0260 0.0668 376 ILE A C 2303 O O . ILE A 294 ? 0.1867 0.2121 0.4231 -0.0105 0.0231 0.0680 376 ILE A O 2304 C CB . ILE A 294 ? 0.1846 0.2087 0.3678 -0.0078 0.0223 0.0596 376 ILE A CB 2305 C CG1 . ILE A 294 ? 0.1851 0.2096 0.3763 -0.0066 0.0129 0.0546 376 ILE A CG1 2306 C CG2 . ILE A 294 ? 0.1949 0.2170 0.3745 -0.0081 0.0170 0.0587 376 ILE A CG2 2307 C CD1 . ILE A 294 ? 0.2064 0.2296 0.3771 -0.0051 0.0056 0.0488 376 ILE A CD1 2308 N N . ILE A 295 ? 0.2029 0.2313 0.4499 -0.0094 0.0243 0.0661 377 ILE A N 2309 C CA . ILE A 295 ? 0.1729 0.2022 0.4484 -0.0102 0.0192 0.0668 377 ILE A CA 2310 C C . ILE A 295 ? 0.2009 0.2297 0.4822 -0.0088 0.0057 0.0599 377 ILE A C 2311 O O . ILE A 295 ? 0.1986 0.2274 0.4672 -0.0073 0.0028 0.0561 377 ILE A O 2312 C CB . ILE A 295 ? 0.2191 0.2514 0.5153 -0.0110 0.0286 0.0723 377 ILE A CB 2313 C CG1 . ILE A 295 ? 0.1932 0.2271 0.4862 -0.0097 0.0302 0.0701 377 ILE A CG1 2314 C CG2 . ILE A 295 ? 0.2033 0.2363 0.4945 -0.0120 0.0421 0.0796 377 ILE A CG2 2315 C CD1 . ILE A 295 ? 0.2202 0.2574 0.5363 -0.0102 0.0384 0.0748 377 ILE A CD1 2316 N N . LYS A 296 ? 0.1812 0.2095 0.4817 -0.0092 -0.0027 0.0582 378 LYS A N 2317 C CA . LYS A 296 ? 0.1740 0.2026 0.4843 -0.0078 -0.0152 0.0521 378 LYS A CA 2318 C C . LYS A 296 ? 0.2291 0.2599 0.5706 -0.0086 -0.0146 0.0547 378 LYS A C 2319 O O . LYS A 296 ? 0.2239 0.2550 0.5841 -0.0104 -0.0115 0.0588 378 LYS A O 2320 C CB . LYS A 296 ? 0.2019 0.2282 0.5107 -0.0071 -0.0272 0.0466 378 LYS A CB 2321 C CG . LYS A 296 ? 0.2256 0.2522 0.5386 -0.0050 -0.0403 0.0395 378 LYS A CG 2322 C CD . LYS A 296 ? 0.2567 0.2814 0.5712 -0.0041 -0.0525 0.0335 378 LYS A CD 2323 C CE . LYS A 296 ? 0.2746 0.2998 0.5888 -0.0014 -0.0654 0.0263 378 LYS A CE 2324 N NZ . LYS A 296 ? 0.3699 0.3937 0.6882 -0.0002 -0.0780 0.0197 378 LYS A NZ 2325 N N . VAL A 297 ? 0.1574 0.1899 0.5052 -0.0074 -0.0175 0.0526 379 VAL A N 2326 C CA . VAL A 297 ? 0.1687 0.2038 0.5471 -0.0081 -0.0174 0.0547 379 VAL A CA 2327 C C . VAL A 297 ? 0.1841 0.2191 0.5753 -0.0066 -0.0327 0.0481 379 VAL A C 2328 O O . VAL A 297 ? 0.1753 0.2100 0.5539 -0.0045 -0.0400 0.0432 379 VAL A O 2329 C CB . VAL A 297 ? 0.1930 0.2305 0.5717 -0.0077 -0.0084 0.0577 379 VAL A CB 2330 C CG1 . VAL A 297 ? 0.1567 0.1972 0.5687 -0.0083 -0.0081 0.0599 379 VAL A CG1 2331 C CG2 . VAL A 297 ? 0.1634 0.2010 0.5270 -0.0088 0.0066 0.0635 379 VAL A CG2 2332 N N . THR A 298 ? 0.2024 0.2377 0.6192 -0.0076 -0.0379 0.0480 380 THR A N 2333 C CA . THR A 298 ? 0.2275 0.2627 0.6583 -0.0061 -0.0530 0.0413 380 THR A CA 2334 C C . THR A 298 ? 0.2572 0.2951 0.7003 -0.0050 -0.0547 0.0408 380 THR A C 2335 O O . THR A 298 ? 0.2734 0.3137 0.7337 -0.0063 -0.0454 0.0463 380 THR A O 2336 C CB . THR A 298 ? 0.3114 0.3465 0.7704 -0.0077 -0.0574 0.0416 380 THR A CB 2337 O OG1 . THR A 298 ? 0.2919 0.3244 0.7394 -0.0088 -0.0549 0.0428 380 THR A OG1 2338 C CG2 . THR A 298 ? 0.2991 0.3340 0.7710 -0.0059 -0.0742 0.0336 380 THR A CG2 2339 N N . GLU A 299 ? 0.2070 0.2444 0.6407 -0.0024 -0.0664 0.0344 381 GLU A N 2340 C CA . GLU A 299 ? 0.2390 0.2786 0.6809 -0.0008 -0.0694 0.0335 381 GLU A CA 2341 C C . GLU A 299 ? 0.2472 0.2880 0.6796 -0.0012 -0.0561 0.0388 381 GLU A C 2342 O O . GLU A 299 ? 0.2130 0.2559 0.6579 -0.0004 -0.0558 0.0396 381 GLU A O 2343 C CB . GLU A 299 ? 0.2542 0.2960 0.7325 -0.0013 -0.0752 0.0331 381 GLU A CB 2344 C CG . GLU A 299 ? 0.3204 0.3610 0.8057 0.0002 -0.0917 0.0257 381 GLU A CG 2345 C CD . GLU A 299 ? 0.3864 0.4290 0.9093 -0.0007 -0.0974 0.0252 381 GLU A CD 2346 O OE1 . GLU A 299 ? 0.3395 0.3847 0.8835 -0.0023 -0.0890 0.0307 381 GLU A OE1 2347 O OE2 . GLU A 299 ? 0.4443 0.4859 0.9760 0.0002 -0.1103 0.0191 381 GLU A OE2 2348 N N . GLY A 300 ? 0.2267 0.2661 0.6365 -0.0021 -0.0459 0.0418 382 GLY A N 2349 C CA . GLY A 300 ? 0.2014 0.2417 0.6011 -0.0025 -0.0330 0.0464 382 GLY A CA 2350 C C . GLY A 300 ? 0.1955 0.2357 0.5793 -0.0002 -0.0361 0.0437 382 GLY A C 2351 O O . GLY A 300 ? 0.2001 0.2413 0.5797 -0.0002 -0.0264 0.0469 382 GLY A O 2352 N N . TRP A 301 ? 0.1878 0.2267 0.5631 0.0019 -0.0493 0.0380 383 TRP A N 2353 C CA . TRP A 301 ? 0.1933 0.2320 0.5548 0.0042 -0.0528 0.0361 383 TRP A CA 2354 C C . TRP A 301 ? 0.2174 0.2583 0.6020 0.0055 -0.0585 0.0355 383 TRP A C 2355 O O . TRP A 301 ? 0.2134 0.2545 0.5917 0.0071 -0.0591 0.0354 383 TRP A O 2356 C CB . TRP A 301 ? 0.2318 0.2683 0.5701 0.0063 -0.0635 0.0308 383 TRP A CB 2357 C CG . TRP A 301 ? 0.2230 0.2589 0.5431 0.0083 -0.0639 0.0304 383 TRP A CG 2358 C CD1 . TRP A 301 ? 0.2004 0.2367 0.5215 0.0109 -0.0742 0.0276 383 TRP A CD1 2359 C CD2 . TRP A 301 ? 0.2170 0.2519 0.5163 0.0078 -0.0535 0.0331 383 TRP A CD2 2360 N NE1 . TRP A 301 ? 0.2226 0.2581 0.5250 0.0120 -0.0705 0.0288 383 TRP A NE1 2361 C CE2 . TRP A 301 ? 0.2211 0.2556 0.5102 0.0100 -0.0580 0.0319 383 TRP A CE2 2362 C CE3 . TRP A 301 ? 0.2154 0.2496 0.5036 0.0057 -0.0412 0.0363 383 TRP A CE3 2363 C CZ2 . TRP A 301 ? 0.2183 0.2517 0.4878 0.0101 -0.0504 0.0338 383 TRP A CZ2 2364 C CZ3 . TRP A 301 ? 0.2281 0.2613 0.4963 0.0059 -0.0340 0.0376 383 TRP A CZ3 2365 C CH2 . TRP A 301 ? 0.2041 0.2368 0.4637 0.0080 -0.0386 0.0363 383 TRP A CH2 2366 N N . ILE A 302 ? 0.2207 0.2632 0.6330 0.0047 -0.0630 0.0352 384 ILE A N 2367 C CA . ILE A 302 ? 0.2547 0.2995 0.6901 0.0061 -0.0705 0.0339 384 ILE A CA 2368 C C . ILE A 302 ? 0.2560 0.3038 0.7216 0.0042 -0.0620 0.0385 384 ILE A C 2369 O O . ILE A 302 ? 0.2101 0.2583 0.6807 0.0017 -0.0509 0.0428 384 ILE A O 2370 C CB . ILE A 302 ? 0.2597 0.3041 0.7039 0.0077 -0.0873 0.0278 384 ILE A CB 2371 C CG1 . ILE A 302 ? 0.2474 0.2919 0.7094 0.0056 -0.0879 0.0277 384 ILE A CG1 2372 C CG2 . ILE A 302 ? 0.2701 0.3120 0.6843 0.0102 -0.0961 0.0231 384 ILE A CG2 2373 C CD1 . ILE A 302 ? 0.2449 0.2895 0.7218 0.0071 -0.1044 0.0214 384 ILE A CD1 2374 N N . ASN A 303 ? 0.2450 0.2950 0.7303 0.0055 -0.0672 0.0378 385 ASN A N 2375 C CA . ASN A 303 ? 0.2775 0.3308 0.7953 0.0040 -0.0612 0.0415 385 ASN A CA 2376 C C . ASN A 303 ? 0.2142 0.2681 0.7550 0.0027 -0.0682 0.0400 385 ASN A C 2377 O O . ASN A 303 ? 0.2584 0.3120 0.8069 0.0044 -0.0831 0.0346 385 ASN A O 2378 C CB . ASN A 303 ? 0.2280 0.2834 0.7603 0.0061 -0.0658 0.0408 385 ASN A CB 2379 C CG . ASN A 303 ? 0.2813 0.3405 0.8467 0.0047 -0.0580 0.0449 385 ASN A CG 2380 O OD1 . ASN A 303 ? 0.2302 0.2910 0.8201 0.0030 -0.0596 0.0455 385 ASN A OD1 2381 N ND2 . ASN A 303 ? 0.2359 0.2967 0.8031 0.0053 -0.0494 0.0478 385 ASN A ND2 2382 N N . SER A 304 ? 0.1800 0.2346 0.7310 -0.0001 -0.0576 0.0445 386 SER A N 2383 C CA . SER A 304 ? 0.2173 0.2719 0.7886 -0.0016 -0.0632 0.0436 386 SER A CA 2384 C C . SER A 304 ? 0.2571 0.3137 0.8475 -0.0047 -0.0490 0.0507 386 SER A C 2385 O O . SER A 304 ? 0.2440 0.3008 0.8208 -0.0056 -0.0346 0.0559 386 SER A O 2386 C CB . SER A 304 ? 0.2577 0.3085 0.8054 -0.0013 -0.0699 0.0396 386 SER A CB 2387 O OG . SER A 304 ? 0.2891 0.3396 0.8536 -0.0035 -0.0703 0.0405 386 SER A OG 2388 N N . PRO A 305 ? 0.2523 0.3105 0.8745 -0.0061 -0.0530 0.0512 387 PRO A N 2389 C CA . PRO A 305 ? 0.2499 0.3098 0.8907 -0.0091 -0.0397 0.0585 387 PRO A CA 2390 C C . PRO A 305 ? 0.2633 0.3203 0.8917 -0.0107 -0.0379 0.0597 387 PRO A C 2391 O O . PRO A 305 ? 0.3256 0.3836 0.9666 -0.0131 -0.0271 0.0662 387 PRO A O 2392 C CB . PRO A 305 ? 0.2876 0.3503 0.9691 -0.0098 -0.0469 0.0578 387 PRO A CB 2393 C CG . PRO A 305 ? 0.2979 0.3587 0.9777 -0.0076 -0.0667 0.0487 387 PRO A CG 2394 C CD . PRO A 305 ? 0.2741 0.3321 0.9152 -0.0050 -0.0703 0.0447 387 PRO A CD 2395 N N . ASN A 306 ? 0.3111 0.3645 0.9147 -0.0093 -0.0479 0.0537 388 ASN A N 2396 C CA . ASN A 306 ? 0.2809 0.3313 0.8763 -0.0105 -0.0494 0.0534 388 ASN A CA 2397 C C . ASN A 306 ? 0.3162 0.3642 0.8767 -0.0107 -0.0402 0.0558 388 ASN A C 2398 O O . ASN A 306 ? 0.3198 0.3648 0.8680 -0.0111 -0.0437 0.0541 388 ASN A O 2399 C CB . ASN A 306 ? 0.3149 0.3630 0.9095 -0.0088 -0.0678 0.0445 388 ASN A CB 2400 C CG . ASN A 306 ? 0.3662 0.4164 0.9956 -0.0085 -0.0786 0.0412 388 ASN A CG 2401 O OD1 . ASN A 306 ? 0.4012 0.4508 1.0293 -0.0061 -0.0938 0.0334 388 ASN A OD1 2402 N ND2 . ASN A 306 ? 0.3278 0.3808 0.9885 -0.0109 -0.0710 0.0471 388 ASN A ND2 2403 N N . HIS A 307 ? 0.2519 0.3011 0.7970 -0.0103 -0.0289 0.0595 389 HIS A N 2404 C CA . HIS A 307 ? 0.2182 0.2652 0.7309 -0.0105 -0.0201 0.0617 389 HIS A CA 2405 C C . HIS A 307 ? 0.2543 0.3007 0.7713 -0.0129 -0.0111 0.0677 389 HIS A C 2406 O O . HIS A 307 ? 0.2828 0.3319 0.8224 -0.0146 -0.0018 0.0741 389 HIS A O 2407 C CB . HIS A 307 ? 0.1862 0.2349 0.6860 -0.0098 -0.0084 0.0650 389 HIS A CB 2408 C CG . HIS A 307 ? 0.1496 0.1984 0.6408 -0.0074 -0.0161 0.0598 389 HIS A CG 2409 N ND1 . HIS A 307 ? 0.1872 0.2373 0.6693 -0.0065 -0.0077 0.0616 389 HIS A ND1 2410 C CD2 . HIS A 307 ? 0.1991 0.2468 0.6896 -0.0055 -0.0313 0.0530 389 HIS A CD2 2411 C CE1 . HIS A 307 ? 0.1798 0.2295 0.6567 -0.0043 -0.0174 0.0566 389 HIS A CE1 2412 N NE2 . HIS A 307 ? 0.1760 0.2244 0.6572 -0.0035 -0.0318 0.0514 389 HIS A NE2 2413 N N . VAL A 308 ? 0.2406 0.2838 0.7360 -0.0129 -0.0137 0.0659 390 VAL A N 2414 C CA . VAL A 308 ? 0.2421 0.2842 0.7368 -0.0149 -0.0053 0.0718 390 VAL A CA 2415 C C . VAL A 308 ? 0.2268 0.2658 0.6860 -0.0141 -0.0044 0.0700 390 VAL A C 2416 O O . VAL A 308 ? 0.2295 0.2666 0.6718 -0.0124 -0.0149 0.0630 390 VAL A O 2417 C CB . VAL A 308 ? 0.3111 0.3522 0.8309 -0.0162 -0.0134 0.0710 390 VAL A CB 2418 C CG1 . VAL A 308 ? 0.3148 0.3534 0.8284 -0.0145 -0.0306 0.0614 390 VAL A CG1 2419 C CG2 . VAL A 308 ? 0.3085 0.3481 0.8253 -0.0181 -0.0050 0.0773 390 VAL A CG2 2420 N N . LYS A 309 ? 0.2048 0.2437 0.6530 -0.0153 0.0082 0.0766 391 LYS A N 2421 C CA . LYS A 309 ? 0.2701 0.3061 0.6868 -0.0148 0.0097 0.0757 391 LYS A CA 2422 C C . LYS A 309 ? 0.2767 0.3098 0.6957 -0.0154 0.0014 0.0736 391 LYS A C 2423 O O . LYS A 309 ? 0.3416 0.3743 0.7694 -0.0171 0.0073 0.0795 391 LYS A O 2424 C CB . LYS A 309 ? 0.2481 0.2852 0.6530 -0.0157 0.0257 0.0835 391 LYS A CB 2425 C CG . LYS A 309 ? 0.2566 0.2963 0.6551 -0.0148 0.0346 0.0849 391 LYS A CG 2426 C CD . LYS A 309 ? 0.2791 0.3195 0.6619 -0.0152 0.0496 0.0915 391 LYS A CD 2427 C CE . LYS A 309 ? 0.3190 0.3614 0.7239 -0.0170 0.0590 0.1000 391 LYS A CE 2428 N NZ . LYS A 309 ? 0.3075 0.3514 0.6982 -0.0170 0.0743 0.1069 391 LYS A NZ 2429 N N . SER A 310 ? 0.2413 0.2725 0.6526 -0.0139 -0.0121 0.0653 392 SER A N 2430 C CA . SER A 310 ? 0.2491 0.2775 0.6633 -0.0141 -0.0214 0.0619 392 SER A CA 2431 C C . SER A 310 ? 0.2688 0.2948 0.6581 -0.0143 -0.0165 0.0638 392 SER A C 2432 O O . SER A 310 ? 0.2467 0.2707 0.6420 -0.0152 -0.0184 0.0649 392 SER A O 2433 C CB . SER A 310 ? 0.2701 0.2976 0.6814 -0.0119 -0.0371 0.0520 392 SER A CB 2434 O OG . SER A 310 ? 0.2755 0.3025 0.6571 -0.0100 -0.0381 0.0482 392 SER A OG 2435 N N . ILE A 311 ? 0.2514 0.2775 0.6134 -0.0134 -0.0105 0.0640 393 ILE A N 2436 C CA . ILE A 311 ? 0.2761 0.3003 0.6129 -0.0134 -0.0061 0.0654 393 ILE A CA 2437 C C . ILE A 311 ? 0.2442 0.2698 0.5649 -0.0136 0.0074 0.0709 393 ILE A C 2438 O O . ILE A 311 ? 0.2561 0.2836 0.5732 -0.0128 0.0101 0.0701 393 ILE A O 2439 C CB . ILE A 311 ? 0.2724 0.2946 0.5859 -0.0114 -0.0159 0.0573 393 ILE A CB 2440 C CG1 . ILE A 311 ? 0.3232 0.3443 0.6508 -0.0105 -0.0303 0.0503 393 ILE A CG1 2441 C CG2 . ILE A 311 ? 0.3461 0.3663 0.6361 -0.0115 -0.0118 0.0586 393 ILE A CG2 2442 C CD1 . ILE A 311 ? 0.3651 0.3847 0.6702 -0.0082 -0.0397 0.0423 393 ILE A CD1 2443 N N . THR A 312 ? 0.2250 0.2498 0.5368 -0.0145 0.0158 0.0766 394 THR A N 2444 C CA . THR A 312 ? 0.2213 0.2470 0.5125 -0.0143 0.0275 0.0806 394 THR A CA 2445 C C . THR A 312 ? 0.2380 0.2613 0.5057 -0.0141 0.0278 0.0805 394 THR A C 2446 O O . THR A 312 ? 0.1994 0.2213 0.4730 -0.0151 0.0286 0.0843 394 THR A O 2447 C CB . THR A 312 ? 0.2806 0.3087 0.5860 -0.0156 0.0404 0.0896 394 THR A CB 2448 O OG1 . THR A 312 ? 0.2621 0.2928 0.5901 -0.0158 0.0404 0.0896 394 THR A OG1 2449 C CG2 . THR A 312 ? 0.2547 0.2837 0.5371 -0.0150 0.0519 0.0929 394 THR A CG2 2450 N N . GLN A 313 ? 0.2153 0.2379 0.4573 -0.0128 0.0269 0.0762 395 GLN A N 2451 C CA . GLN A 313 ? 0.2320 0.2528 0.4508 -0.0125 0.0288 0.0765 395 GLN A CA 2452 C C . GLN A 313 ? 0.1991 0.2213 0.4023 -0.0124 0.0411 0.0812 395 GLN A C 2453 O O . GLN A 313 ? 0.2224 0.2459 0.4174 -0.0116 0.0439 0.0791 395 GLN A O 2454 C CB . GLN A 313 ? 0.2074 0.2266 0.4076 -0.0111 0.0192 0.0684 395 GLN A CB 2455 C CG . GLN A 313 ? 0.1764 0.1942 0.3882 -0.0107 0.0068 0.0631 395 GLN A CG 2456 C CD . GLN A 313 ? 0.1744 0.1908 0.3662 -0.0091 -0.0017 0.0556 395 GLN A CD 2457 O OE1 . GLN A 313 ? 0.2047 0.2216 0.3978 -0.0079 -0.0095 0.0500 395 GLN A OE1 2458 N NE2 . GLN A 313 ? 0.2042 0.2192 0.3777 -0.0089 -0.0002 0.0558 395 GLN A NE2 2459 N N . THR A 314 ? 0.1773 0.1991 0.3765 -0.0131 0.0483 0.0874 396 THR A N 2460 C CA . THR A 314 ? 0.1986 0.2216 0.3812 -0.0127 0.0597 0.0916 396 THR A CA 2461 C C . THR A 314 ? 0.2307 0.2519 0.3861 -0.0118 0.0579 0.0886 396 THR A C 2462 O O . THR A 314 ? 0.2536 0.2731 0.4052 -0.0121 0.0561 0.0905 396 THR A O 2463 C CB . THR A 314 ? 0.2878 0.3120 0.4812 -0.0136 0.0698 0.1010 396 THR A CB 2464 O OG1 . THR A 314 ? 0.2862 0.3125 0.5067 -0.0145 0.0716 0.1039 396 THR A OG1 2465 C CG2 . THR A 314 ? 0.2271 0.2529 0.4020 -0.0127 0.0814 0.1047 396 THR A CG2 2466 N N . LEU A 315 ? 0.2083 0.2299 0.3461 -0.0108 0.0584 0.0841 397 LEU A N 2467 C CA . LEU A 315 ? 0.2208 0.2407 0.3343 -0.0100 0.0550 0.0799 397 LEU A CA 2468 C C . LEU A 315 ? 0.2267 0.2473 0.3209 -0.0094 0.0645 0.0830 397 LEU A C 2469 O O . LEU A 315 ? 0.2308 0.2500 0.3075 -0.0090 0.0632 0.0819 397 LEU A O 2470 C CB . LEU A 315 ? 0.1776 0.1973 0.2842 -0.0091 0.0478 0.0723 397 LEU A CB 2471 C CG . LEU A 315 ? 0.2071 0.2263 0.3317 -0.0093 0.0377 0.0688 397 LEU A CG 2472 C CD1 . LEU A 315 ? 0.1980 0.2173 0.3152 -0.0082 0.0314 0.0621 397 LEU A CD1 2473 C CD2 . LEU A 315 ? 0.2130 0.2302 0.3405 -0.0096 0.0306 0.0679 397 LEU A CD2 2474 N N . VAL A 316 ? 0.2095 0.2323 0.3069 -0.0093 0.0738 0.0864 398 VAL A N 2475 C CA . VAL A 316 ? 0.2047 0.2284 0.2853 -0.0085 0.0835 0.0894 398 VAL A CA 2476 C C . VAL A 316 ? 0.2757 0.3017 0.3705 -0.0087 0.0934 0.0970 398 VAL A C 2477 O O . VAL A 316 ? 0.2513 0.2790 0.3625 -0.0090 0.0956 0.0975 398 VAL A O 2478 C CB . VAL A 316 ? 0.2496 0.2740 0.3159 -0.0074 0.0852 0.0841 398 VAL A CB 2479 C CG1 . VAL A 316 ? 0.2106 0.2363 0.2613 -0.0064 0.0955 0.0868 398 VAL A CG1 2480 C CG2 . VAL A 316 ? 0.2242 0.2466 0.2767 -0.0072 0.0760 0.0773 398 VAL A CG2 2481 N N . SER A 317 ? 0.2860 0.3120 0.3752 -0.0086 0.0993 0.1033 399 SER A N 2482 C CA . SER A 317 ? 0.2911 0.3194 0.3947 -0.0089 0.1090 0.1115 399 SER A CA 2483 C C . SER A 317 ? 0.2952 0.3263 0.3945 -0.0077 0.1188 0.1118 399 SER A C 2484 O O . SER A 317 ? 0.2625 0.2936 0.3436 -0.0065 0.1192 0.1066 399 SER A O 2485 C CB . SER A 317 ? 0.2895 0.3173 0.3866 -0.0087 0.1136 0.1189 399 SER A CB 2486 O OG . SER A 317 ? 0.3700 0.3992 0.4461 -0.0071 0.1223 0.1205 399 SER A OG 2487 N N . ASN A 318 ? 0.2788 0.3126 0.3958 -0.0079 0.1267 0.1177 400 ASN A N 2488 C CA . ASN A 318 ? 0.3251 0.3620 0.4403 -0.0066 0.1368 0.1183 400 ASN A CA 2489 C C . ASN A 318 ? 0.2967 0.3345 0.3887 -0.0048 0.1459 0.1209 400 ASN A C 2490 O O . ASN A 318 ? 0.3780 0.4182 0.4634 -0.0033 0.1539 0.1199 400 ASN A O 2491 C CB . ASN A 318 ? 0.3310 0.3708 0.4726 -0.0073 0.1433 0.1244 400 ASN A CB 2492 C CG . ASN A 318 ? 0.4033 0.4462 0.5481 -0.0061 0.1512 0.1229 400 ASN A CG 2493 O OD1 . ASN A 318 ? 0.4471 0.4932 0.6038 -0.0058 0.1615 0.1290 400 ASN A OD1 2494 N ND2 . ASN A 318 ? 0.3036 0.3457 0.4385 -0.0054 0.1468 0.1147 400 ASN A ND2 2495 N N . ASN A 319 ? 0.3438 0.3799 0.4234 -0.0048 0.1444 0.1240 401 ASN A N 2496 C CA . ASN A 319 ? 0.3548 0.3916 0.4101 -0.0028 0.1513 0.1256 401 ASN A CA 2497 C C . ASN A 319 ? 0.3857 0.4207 0.4184 -0.0019 0.1456 0.1170 401 ASN A C 2498 O O . ASN A 319 ? 0.4198 0.4552 0.4312 -0.0002 0.1498 0.1166 401 ASN A O 2499 C CB . ASN A 319 ? 0.4617 0.4976 0.5132 -0.0029 0.1527 0.1334 401 ASN A CB 2500 C CG . ASN A 319 ? 0.5505 0.5895 0.6107 -0.0022 0.1649 0.1433 401 ASN A CG 2501 O OD1 . ASN A 319 ? 0.5916 0.6316 0.6760 -0.0036 0.1666 0.1481 401 ASN A OD1 2502 N ND2 . ASN A 319 ? 0.6436 0.6843 0.6840 0.0001 0.1736 0.1462 401 ASN A ND2 2503 N N . ASP A 320 ? 0.3126 0.3458 0.3504 -0.0030 0.1360 0.1100 402 ASP A N 2504 C CA . ASP A 320 ? 0.3066 0.3380 0.3254 -0.0025 0.1300 0.1020 402 ASP A CA 2505 C C . ASP A 320 ? 0.3010 0.3332 0.3236 -0.0022 0.1297 0.0958 402 ASP A C 2506 O O . ASP A 320 ? 0.2432 0.2764 0.2858 -0.0029 0.1294 0.0963 402 ASP A O 2507 C CB . ASP A 320 ? 0.3090 0.3374 0.3273 -0.0037 0.1184 0.0992 402 ASP A CB 2508 C CG . ASP A 320 ? 0.3123 0.3396 0.3247 -0.0038 0.1183 0.1048 402 ASP A CG 2509 O OD1 . ASP A 320 ? 0.3434 0.3706 0.3354 -0.0025 0.1211 0.1048 402 ASP A OD1 2510 O OD2 . ASP A 320 ? 0.3030 0.3294 0.3313 -0.0051 0.1150 0.1088 402 ASP A OD2 2511 N N . TRP A 321 ? 0.2625 0.2942 0.2666 -0.0010 0.1297 0.0899 403 TRP A N 2512 C CA . TRP A 321 ? 0.2573 0.2895 0.2639 -0.0006 0.1295 0.0841 403 TRP A CA 2513 C C . TRP A 321 ? 0.2589 0.2889 0.2718 -0.0019 0.1183 0.0789 403 TRP A C 2514 O O . TRP A 321 ? 0.2379 0.2658 0.2420 -0.0025 0.1107 0.0768 403 TRP A O 2515 C CB . TRP A 321 ? 0.2816 0.3139 0.2672 0.0011 0.1335 0.0796 403 TRP A CB 2516 C CG . TRP A 321 ? 0.3012 0.3361 0.2799 0.0030 0.1449 0.0835 403 TRP A CG 2517 C CD1 . TRP A 321 ? 0.3588 0.3939 0.3180 0.0044 0.1485 0.0848 403 TRP A CD1 2518 C CD2 . TRP A 321 ? 0.3268 0.3647 0.3175 0.0039 0.1545 0.0865 403 TRP A CD2 2519 N NE1 . TRP A 321 ? 0.3784 0.4164 0.3357 0.0063 0.1597 0.0884 403 TRP A NE1 2520 C CE2 . TRP A 321 ? 0.3751 0.4150 0.3518 0.0060 0.1638 0.0896 403 TRP A CE2 2521 C CE3 . TRP A 321 ? 0.3434 0.3827 0.3554 0.0033 0.1559 0.0869 403 TRP A CE3 2522 C CZ2 . TRP A 321 ? 0.3944 0.4377 0.3776 0.0075 0.1751 0.0930 403 TRP A CZ2 2523 C CZ3 . TRP A 321 ? 0.4066 0.4492 0.4262 0.0047 0.1669 0.0903 403 TRP A CZ3 2524 C CH2 . TRP A 321 ? 0.4234 0.4680 0.4284 0.0068 0.1766 0.0933 403 TRP A CH2 2525 N N . SER A 322 ? 0.2759 0.3066 0.3040 -0.0022 0.1171 0.0770 404 SER A N 2526 C CA . SER A 322 ? 0.2530 0.2819 0.2847 -0.0029 0.1069 0.0718 404 SER A CA 2527 C C . SER A 322 ? 0.2056 0.2345 0.2318 -0.0020 0.1079 0.0664 404 SER A C 2528 O O . SER A 322 ? 0.2343 0.2631 0.2441 -0.0009 0.1122 0.0641 404 SER A O 2529 C CB . SER A 322 ? 0.2571 0.2862 0.3118 -0.0041 0.1017 0.0737 404 SER A CB 2530 O OG . SER A 322 ? 0.2294 0.2609 0.3010 -0.0038 0.1082 0.0763 404 SER A OG 2531 N N . GLY A 323 ? 0.2489 0.2779 0.2894 -0.0022 0.1039 0.0643 405 GLY A N 2532 C CA . GLY A 323 ? 0.2187 0.2473 0.2556 -0.0014 0.1037 0.0594 405 GLY A CA 2533 C C . GLY A 323 ? 0.2126 0.2403 0.2615 -0.0019 0.0947 0.0570 405 GLY A C 2534 O O . GLY A 323 ? 0.2341 0.2625 0.3004 -0.0025 0.0916 0.0594 405 GLY A O 2535 N N . TYR A 324 ? 0.2057 0.2318 0.2455 -0.0015 0.0904 0.0522 406 TYR A N 2536 C CA . TYR A 324 ? 0.1624 0.1876 0.2109 -0.0016 0.0816 0.0500 406 TYR A CA 2537 C C . TYR A 324 ? 0.1566 0.1809 0.2067 -0.0025 0.0727 0.0504 406 TYR A C 2538 O O . TYR A 324 ? 0.1718 0.1954 0.2116 -0.0030 0.0722 0.0512 406 TYR A O 2539 C CB . TYR A 324 ? 0.1643 0.1879 0.2000 -0.0011 0.0791 0.0455 406 TYR A CB 2540 C CG . TYR A 324 ? 0.1842 0.2083 0.2249 -0.0001 0.0847 0.0441 406 TYR A CG 2541 C CD1 . TYR A 324 ? 0.2021 0.2284 0.2546 0.0004 0.0929 0.0466 406 TYR A CD1 2542 C CD2 . TYR A 324 ? 0.1767 0.1993 0.2114 0.0004 0.0820 0.0404 406 TYR A CD2 2543 C CE1 . TYR A 324 ? 0.2013 0.2283 0.2593 0.0015 0.0981 0.0450 406 TYR A CE1 2544 C CE2 . TYR A 324 ? 0.1647 0.1877 0.2054 0.0014 0.0869 0.0390 406 TYR A CE2 2545 C CZ . TYR A 324 ? 0.2170 0.2422 0.2691 0.0020 0.0949 0.0410 406 TYR A CZ 2546 O OH . TYR A 324 ? 0.2348 0.2605 0.2937 0.0032 0.1000 0.0393 406 TYR A OH 2547 N N . SER A 325 ? 0.1552 0.1793 0.2182 -0.0024 0.0653 0.0496 407 SER A N 2548 C CA . SER A 325 ? 0.1620 0.1851 0.2249 -0.0028 0.0557 0.0486 407 SER A CA 2549 C C . SER A 325 ? 0.1663 0.1889 0.2340 -0.0021 0.0476 0.0457 407 SER A C 2550 O O . SER A 325 ? 0.1502 0.1735 0.2278 -0.0015 0.0493 0.0457 407 SER A O 2551 C CB . SER A 325 ? 0.1554 0.1794 0.2337 -0.0036 0.0550 0.0521 407 SER A CB 2552 O OG . SER A 325 ? 0.1616 0.1874 0.2602 -0.0036 0.0578 0.0543 407 SER A OG 2553 N N . GLY A 326 ? 0.1838 0.2051 0.2437 -0.0019 0.0390 0.0432 408 GLY A N 2554 C CA . GLY A 326 ? 0.1425 0.1634 0.2041 -0.0009 0.0313 0.0407 408 GLY A CA 2555 C C . GLY A 326 ? 0.1470 0.1673 0.2059 -0.0005 0.0214 0.0386 408 GLY A C 2556 O O . GLY A 326 ? 0.1555 0.1753 0.2069 -0.0011 0.0207 0.0385 408 GLY A O 2557 N N . SER A 327 ? 0.1440 0.1644 0.2092 0.0007 0.0137 0.0370 409 SER A N 2558 C CA . SER A 327 ? 0.1367 0.1567 0.1992 0.0015 0.0037 0.0344 409 SER A CA 2559 C C . SER A 327 ? 0.1476 0.1666 0.1903 0.0023 0.0007 0.0319 409 SER A C 2560 O O . SER A 327 ? 0.1581 0.1767 0.1935 0.0026 0.0039 0.0321 409 SER A O 2561 C CB . SER A 327 ? 0.1706 0.1914 0.2491 0.0027 -0.0037 0.0337 409 SER A CB 2562 O OG . SER A 327 ? 0.1812 0.2021 0.2613 0.0034 -0.0018 0.0343 409 SER A OG 2563 N N . PHE A 328 ? 0.1498 0.1686 0.1847 0.0027 -0.0052 0.0296 410 PHE A N 2564 C CA . PHE A 328 ? 0.1699 0.1883 0.1892 0.0040 -0.0103 0.0270 410 PHE A CA 2565 C C . PHE A 328 ? 0.1464 0.1652 0.1672 0.0054 -0.0199 0.0241 410 PHE A C 2566 O O . PHE A 328 ? 0.1926 0.2115 0.2247 0.0050 -0.0221 0.0238 410 PHE A O 2567 C CB . PHE A 328 ? 0.1383 0.1560 0.1397 0.0032 -0.0050 0.0268 410 PHE A CB 2568 C CG . PHE A 328 ? 0.1300 0.1475 0.1275 0.0023 -0.0042 0.0263 410 PHE A CG 2569 C CD1 . PHE A 328 ? 0.1498 0.1674 0.1377 0.0031 -0.0098 0.0235 410 PHE A CD1 2570 C CD2 . PHE A 328 ? 0.1346 0.1520 0.1374 0.0008 0.0027 0.0289 410 PHE A CD2 2571 C CE1 . PHE A 328 ? 0.1658 0.1830 0.1505 0.0024 -0.0092 0.0231 410 PHE A CE1 2572 C CE2 . PHE A 328 ? 0.1526 0.1697 0.1516 0.0001 0.0034 0.0290 410 PHE A CE2 2573 C CZ . PHE A 328 ? 0.1494 0.1663 0.1399 0.0008 -0.0027 0.0261 410 PHE A CZ 2574 N N . ILE A 329 ? 0.1534 0.1723 0.1635 0.0071 -0.0258 0.0218 411 ILE A N 2575 C CA . ILE A 329 ? 0.1846 0.2041 0.1948 0.0089 -0.0352 0.0184 411 ILE A CA 2576 C C . ILE A 329 ? 0.1826 0.2021 0.1744 0.0095 -0.0364 0.0160 411 ILE A C 2577 O O . ILE A 329 ? 0.1784 0.1976 0.1570 0.0091 -0.0317 0.0170 411 ILE A O 2578 C CB . ILE A 329 ? 0.1875 0.2077 0.2022 0.0112 -0.0429 0.0173 411 ILE A CB 2579 C CG1 . ILE A 329 ? 0.2059 0.2260 0.2081 0.0119 -0.0409 0.0187 411 ILE A CG1 2580 C CG2 . ILE A 329 ? 0.2322 0.2527 0.2679 0.0108 -0.0435 0.0189 411 ILE A CG2 2581 C CD1 . ILE A 329 ? 0.2634 0.2841 0.2696 0.0143 -0.0481 0.0186 411 ILE A CD1 2582 N N . VAL A 330 ? 0.1532 0.1730 0.1452 0.0106 -0.0428 0.0126 412 VAL A N 2583 C CA . VAL A 330 ? 0.1629 0.1832 0.1386 0.0117 -0.0452 0.0097 412 VAL A CA 2584 C C . VAL A 330 ? 0.1608 0.1821 0.1360 0.0147 -0.0553 0.0056 412 VAL A C 2585 O O . VAL A 330 ? 0.2076 0.2288 0.1960 0.0152 -0.0609 0.0036 412 VAL A O 2586 C CB . VAL A 330 ? 0.1654 0.1850 0.1394 0.0104 -0.0425 0.0089 412 VAL A CB 2587 C CG1 . VAL A 330 ? 0.1805 0.2009 0.1381 0.0116 -0.0445 0.0059 412 VAL A CG1 2588 C CG2 . VAL A 330 ? 0.1795 0.1983 0.1544 0.0077 -0.0328 0.0130 412 VAL A CG2 2589 N N . LYS A 331 ? 0.1844 0.2067 0.1450 0.0167 -0.0578 0.0044 413 LYS A N 2590 C CA . LYS A 331 ? 0.2321 0.2556 0.1908 0.0199 -0.0675 0.0004 413 LYS A CA 2591 C C . LYS A 331 ? 0.2287 0.2524 0.1870 0.0208 -0.0721 -0.0045 413 LYS A C 2592 O O . LYS A 331 ? 0.2511 0.2749 0.2000 0.0201 -0.0686 -0.0052 413 LYS A O 2593 C CB . LYS A 331 ? 0.2491 0.2739 0.1913 0.0221 -0.0685 0.0007 413 LYS A CB 2594 C CG . LYS A 331 ? 0.2977 0.3239 0.2374 0.0258 -0.0786 -0.0029 413 LYS A CG 2595 C CD . LYS A 331 ? 0.3559 0.3836 0.2789 0.0281 -0.0790 -0.0017 413 LYS A CD 2596 C CE . LYS A 331 ? 0.5007 0.5301 0.4204 0.0323 -0.0893 -0.0055 413 LYS A CE 2597 N NZ . LYS A 331 ? 0.5355 0.5668 0.4372 0.0349 -0.0909 -0.0084 413 LYS A NZ 2598 N N . ALA A 332 ? 0.2426 0.2665 0.2123 0.0224 -0.0804 -0.0080 414 ALA A N 2599 C CA . ALA A 332 ? 0.2774 0.3014 0.2496 0.0235 -0.0859 -0.0132 414 ALA A CA 2600 C C . ALA A 332 ? 0.3695 0.3949 0.3387 0.0275 -0.0966 -0.0187 414 ALA A C 2601 O O . ALA A 332 ? 0.4512 0.4764 0.4349 0.0283 -0.1036 -0.0214 414 ALA A O 2602 C CB . ALA A 332 ? 0.2892 0.3116 0.2815 0.0213 -0.0856 -0.0126 414 ALA A CB 2603 N N . LYS A 333 ? 0.4736 0.5007 0.4244 0.0299 -0.0977 -0.0203 415 LYS A N 2604 C CA . LYS A 333 ? 0.5221 0.5510 0.4669 0.0342 -0.1075 -0.0255 415 LYS A CA 2605 C C . LYS A 333 ? 0.5548 0.5841 0.5041 0.0357 -0.1120 -0.0236 415 LYS A C 2606 O O . LYS A 333 ? 0.6053 0.6354 0.5436 0.0365 -0.1093 -0.0199 415 LYS A O 2607 C CB . LYS A 333 ? 0.5690 0.5975 0.5243 0.0354 -0.1152 -0.0321 415 LYS A CB 2608 C CG . LYS A 333 ? 0.6276 0.6553 0.5821 0.0339 -0.1116 -0.0340 415 LYS A CG 2609 C CD . LYS A 333 ? 0.7086 0.7381 0.6426 0.0362 -0.1107 -0.0367 415 LYS A CD 2610 C CE . LYS A 333 ? 0.6897 0.7185 0.6256 0.0358 -0.1108 -0.0408 415 LYS A CE 2611 N NZ . LYS A 333 ? 0.7089 0.7399 0.6263 0.0384 -0.1106 -0.0443 415 LYS A NZ 2612 N N . ASP A 334 ? 0.4410 0.4699 0.4077 0.0361 -0.1189 -0.0261 416 ASP A N 2613 C CA . ASP A 334 ? 0.4622 0.4916 0.4351 0.0378 -0.1242 -0.0248 416 ASP A CA 2614 C C . ASP A 334 ? 0.4028 0.4307 0.3973 0.0346 -0.1214 -0.0209 416 ASP A C 2615 O O . ASP A 334 ? 0.3980 0.4263 0.4043 0.0358 -0.1276 -0.0213 416 ASP A O 2616 C CB . ASP A 334 ? 0.5286 0.5594 0.5018 0.0421 -0.1368 -0.0317 416 ASP A CB 2617 C CG . ASP A 334 ? 0.6005 0.6306 0.5844 0.0420 -0.1415 -0.0380 416 ASP A CG 2618 O OD1 . ASP A 334 ? 0.6559 0.6873 0.6314 0.0456 -0.1489 -0.0446 416 ASP A OD1 2619 O OD2 . ASP A 334 ? 0.5932 0.6216 0.5939 0.0385 -0.1375 -0.0361 416 ASP A OD2 2620 N N . CYS A 335 ? 0.2628 0.2893 0.2623 0.0308 -0.1120 -0.0173 417 CYS A N 2621 C CA . CYS A 335 ? 0.2805 0.3058 0.2984 0.0278 -0.1072 -0.0128 417 CYS A CA 2622 C C . CYS A 335 ? 0.2611 0.2854 0.2738 0.0244 -0.0950 -0.0075 417 CYS A C 2623 O O . CYS A 335 ? 0.2492 0.2734 0.2471 0.0241 -0.0911 -0.0080 417 CYS A O 2624 C CB . CYS A 335 ? 0.2755 0.3001 0.3149 0.0268 -0.1117 -0.0156 417 CYS A CB 2625 S SG . CYS A 335 ? 0.2954 0.3188 0.3354 0.0252 -0.1095 -0.0184 417 CYS A SG 2626 N N . PHE A 336 ? 0.2408 0.2644 0.2656 0.0220 -0.0892 -0.0028 418 PHE A N 2627 C CA . PHE A 336 ? 0.2195 0.2421 0.2408 0.0190 -0.0779 0.0018 418 PHE A CA 2628 C C . PHE A 336 ? 0.2098 0.2315 0.2464 0.0163 -0.0741 0.0028 418 PHE A C 2629 O O . PHE A 336 ? 0.2012 0.2230 0.2568 0.0160 -0.0770 0.0029 418 PHE A O 2630 C CB . PHE A 336 ? 0.2118 0.2343 0.2361 0.0182 -0.0729 0.0065 418 PHE A CB 2631 C CG . PHE A 336 ? 0.2151 0.2381 0.2230 0.0201 -0.0736 0.0073 418 PHE A CG 2632 C CD1 . PHE A 336 ? 0.2017 0.2247 0.1910 0.0199 -0.0695 0.0074 418 PHE A CD1 2633 C CD2 . PHE A 336 ? 0.2307 0.2543 0.2426 0.0220 -0.0782 0.0084 418 PHE A CD2 2634 C CE1 . PHE A 336 ? 0.2314 0.2550 0.2065 0.0216 -0.0696 0.0088 418 PHE A CE1 2635 C CE2 . PHE A 336 ? 0.2393 0.2633 0.2364 0.0237 -0.0785 0.0100 418 PHE A CE2 2636 C CZ . PHE A 336 ? 0.2502 0.2741 0.2290 0.0234 -0.0740 0.0103 418 PHE A CZ 2637 N N . GLN A 337 ? 0.1871 0.2080 0.2158 0.0146 -0.0675 0.0038 419 GLN A N 2638 C CA . GLN A 337 ? 0.1641 0.1841 0.2057 0.0121 -0.0632 0.0056 419 GLN A CA 2639 C C . GLN A 337 ? 0.1821 0.2017 0.2295 0.0097 -0.0534 0.0112 419 GLN A C 2640 O O . GLN A 337 ? 0.1697 0.1893 0.2043 0.0092 -0.0472 0.0133 419 GLN A O 2641 C CB . GLN A 337 ? 0.1571 0.1764 0.1870 0.0116 -0.0611 0.0042 419 GLN A CB 2642 C CG . GLN A 337 ? 0.1678 0.1860 0.2077 0.0091 -0.0553 0.0071 419 GLN A CG 2643 C CD . GLN A 337 ? 0.1715 0.1891 0.1984 0.0087 -0.0532 0.0060 419 GLN A CD 2644 O OE1 . GLN A 337 ? 0.1802 0.1983 0.1893 0.0094 -0.0514 0.0052 419 GLN A OE1 2645 N NE2 . GLN A 337 ? 0.1757 0.1924 0.2123 0.0077 -0.0535 0.0061 419 GLN A NE2 2646 N N . PRO A 338 ? 0.1509 0.1705 0.2182 0.0084 -0.0518 0.0134 420 PRO A N 2647 C CA . PRO A 338 ? 0.1440 0.1636 0.2171 0.0063 -0.0419 0.0186 420 PRO A CA 2648 C C . PRO A 338 ? 0.1658 0.1846 0.2328 0.0042 -0.0333 0.0214 420 PRO A C 2649 O O . PRO A 338 ? 0.1451 0.1634 0.2180 0.0035 -0.0343 0.0211 420 PRO A O 2650 C CB . PRO A 338 ? 0.1807 0.2009 0.2784 0.0058 -0.0441 0.0197 420 PRO A CB 2651 C CG . PRO A 338 ? 0.1796 0.1995 0.2842 0.0065 -0.0526 0.0159 420 PRO A CG 2652 C CD . PRO A 338 ? 0.2000 0.2199 0.2863 0.0089 -0.0595 0.0111 420 PRO A CD 2653 N N . CYS A 339 ? 0.1646 0.1833 0.2201 0.0034 -0.0252 0.0239 421 CYS A N 2654 C CA . CYS A 339 ? 0.1505 0.1686 0.1996 0.0017 -0.0167 0.0267 421 CYS A CA 2655 C C . CYS A 339 ? 0.1470 0.1655 0.1995 0.0006 -0.0077 0.0305 421 CYS A C 2656 O O . CYS A 339 ? 0.1398 0.1589 0.1974 0.0012 -0.0082 0.0307 421 CYS A O 2657 C CB . CYS A 339 ? 0.1397 0.1573 0.1672 0.0020 -0.0162 0.0247 421 CYS A CB 2658 S SG . CYS A 339 ? 0.1753 0.1927 0.1959 0.0037 -0.0262 0.0196 421 CYS A SG 2659 N N . PHE A 340 ? 0.1472 0.1654 0.1967 -0.0008 0.0006 0.0336 422 PHE A N 2660 C CA . PHE A 340 ? 0.1215 0.1402 0.1711 -0.0016 0.0098 0.0367 422 PHE A CA 2661 C C . PHE A 340 ? 0.1354 0.1537 0.1713 -0.0025 0.0173 0.0384 422 PHE A C 2662 O O . PHE A 340 ? 0.1460 0.1636 0.1761 -0.0028 0.0160 0.0382 422 PHE A O 2663 C CB . PHE A 340 ? 0.1308 0.1506 0.2016 -0.0021 0.0129 0.0399 422 PHE A CB 2664 C CG . PHE A 340 ? 0.1478 0.1678 0.2292 -0.0033 0.0151 0.0429 422 PHE A CG 2665 C CD1 . PHE A 340 ? 0.1557 0.1755 0.2502 -0.0032 0.0075 0.0418 422 PHE A CD1 2666 C CD2 . PHE A 340 ? 0.1599 0.1802 0.2386 -0.0043 0.0249 0.0470 422 PHE A CD2 2667 C CE1 . PHE A 340 ? 0.1609 0.1806 0.2670 -0.0044 0.0096 0.0451 422 PHE A CE1 2668 C CE2 . PHE A 340 ? 0.1704 0.1907 0.2594 -0.0053 0.0272 0.0507 422 PHE A CE2 2669 C CZ . PHE A 340 ? 0.1686 0.1885 0.2718 -0.0055 0.0197 0.0499 422 PHE A CZ 2670 N N . TYR A 341 ? 0.1413 0.1599 0.1715 -0.0027 0.0248 0.0396 423 TYR A N 2671 C CA . TYR A 341 ? 0.1549 0.1732 0.1730 -0.0033 0.0324 0.0412 423 TYR A CA 2672 C C . TYR A 341 ? 0.1581 0.1775 0.1861 -0.0038 0.0412 0.0452 423 TYR A C 2673 O O . TYR A 341 ? 0.1678 0.1882 0.2099 -0.0036 0.0422 0.0461 423 TYR A O 2674 C CB . TYR A 341 ? 0.1212 0.1390 0.1222 -0.0029 0.0340 0.0386 423 TYR A CB 2675 C CG . TYR A 341 ? 0.1309 0.1491 0.1367 -0.0025 0.0372 0.0385 423 TYR A CG 2676 C CD1 . TYR A 341 ? 0.1290 0.1470 0.1393 -0.0017 0.0312 0.0366 423 TYR A CD1 2677 C CD2 . TYR A 341 ? 0.1322 0.1510 0.1387 -0.0027 0.0462 0.0403 423 TYR A CD2 2678 C CE1 . TYR A 341 ? 0.1283 0.1467 0.1445 -0.0012 0.0339 0.0367 423 TYR A CE1 2679 C CE2 . TYR A 341 ? 0.1413 0.1605 0.1537 -0.0022 0.0492 0.0399 423 TYR A CE2 2680 C CZ . TYR A 341 ? 0.1550 0.1738 0.1727 -0.0015 0.0429 0.0383 423 TYR A CZ 2681 O OH . TYR A 341 ? 0.1389 0.1580 0.1634 -0.0009 0.0457 0.0381 423 TYR A OH 2682 N N . VAL A 342 ? 0.1682 0.1877 0.1888 -0.0043 0.0476 0.0476 424 VAL A N 2683 C CA . VAL A 342 ? 0.1575 0.1783 0.1834 -0.0044 0.0572 0.0513 424 VAL A CA 2684 C C . VAL A 342 ? 0.1567 0.1773 0.1643 -0.0041 0.0635 0.0505 424 VAL A C 2685 O O . VAL A 342 ? 0.1788 0.1985 0.1727 -0.0042 0.0623 0.0500 424 VAL A O 2686 C CB . VAL A 342 ? 0.1675 0.1889 0.2050 -0.0051 0.0601 0.0563 424 VAL A CB 2687 C CG1 . VAL A 342 ? 0.1672 0.1905 0.2112 -0.0050 0.0705 0.0603 424 VAL A CG1 2688 C CG2 . VAL A 342 ? 0.1329 0.1543 0.1887 -0.0055 0.0526 0.0564 424 VAL A CG2 2689 N N . GLU A 343 ? 0.1499 0.1713 0.1573 -0.0035 0.0695 0.0500 425 GLU A N 2690 C CA . GLU A 343 ? 0.1696 0.1910 0.1614 -0.0030 0.0760 0.0490 425 GLU A CA 2691 C C . GLU A 343 ? 0.2148 0.2376 0.2074 -0.0029 0.0842 0.0536 425 GLU A C 2692 O O . GLU A 343 ? 0.2351 0.2593 0.2422 -0.0029 0.0886 0.0570 425 GLU A O 2693 C CB . GLU A 343 ? 0.1954 0.2170 0.1883 -0.0023 0.0793 0.0463 425 GLU A CB 2694 C CG . GLU A 343 ? 0.1822 0.2042 0.1619 -0.0015 0.0871 0.0450 425 GLU A CG 2695 C CD . GLU A 343 ? 0.1904 0.2129 0.1753 -0.0006 0.0914 0.0428 425 GLU A CD 2696 O OE1 . GLU A 343 ? 0.1974 0.2210 0.1987 -0.0004 0.0932 0.0447 425 GLU A OE1 2697 O OE2 . GLU A 343 ? 0.1943 0.2159 0.1676 0.0000 0.0929 0.0391 425 GLU A OE2 2698 N N . LEU A 344 ? 0.1983 0.2206 0.1753 -0.0027 0.0861 0.0539 426 LEU A N 2699 C CA . LEU A 344 ? 0.2006 0.2242 0.1755 -0.0023 0.0937 0.0587 426 LEU A CA 2700 C C . LEU A 344 ? 0.2263 0.2504 0.1865 -0.0010 0.1007 0.0566 426 LEU A C 2701 O O . LEU A 344 ? 0.2492 0.2725 0.1928 -0.0007 0.0995 0.0542 426 LEU A O 2702 C CB . LEU A 344 ? 0.2128 0.2353 0.1817 -0.0029 0.0899 0.0610 426 LEU A CB 2703 C CG . LEU A 344 ? 0.1848 0.2063 0.1664 -0.0040 0.0814 0.0614 426 LEU A CG 2704 C CD1 . LEU A 344 ? 0.2079 0.2282 0.1823 -0.0043 0.0772 0.0626 426 LEU A CD1 2705 C CD2 . LEU A 344 ? 0.2157 0.2384 0.2188 -0.0045 0.0834 0.0656 426 LEU A CD2 2706 N N . ILE A 345 ? 0.2415 0.2672 0.2089 -0.0002 0.1077 0.0571 427 ILE A N 2707 C CA . ILE A 345 ? 0.2411 0.2675 0.1966 0.0013 0.1142 0.0541 427 ILE A CA 2708 C C . ILE A 345 ? 0.2810 0.3087 0.2249 0.0024 0.1213 0.0574 427 ILE A C 2709 O O . ILE A 345 ? 0.2676 0.2968 0.2196 0.0025 0.1260 0.0634 427 ILE A O 2710 C CB . ILE A 345 ? 0.2325 0.2605 0.2003 0.0020 0.1199 0.0535 427 ILE A CB 2711 C CG1 . ILE A 345 ? 0.2089 0.2357 0.1890 0.0012 0.1129 0.0507 427 ILE A CG1 2712 C CG2 . ILE A 345 ? 0.2578 0.2863 0.2130 0.0038 0.1265 0.0497 427 ILE A CG2 2713 C CD1 . ILE A 345 ? 0.2405 0.2689 0.2363 0.0018 0.1177 0.0507 427 ILE A CD1 2714 N N . ARG A 346 ? 0.2835 0.3105 0.2086 0.0034 0.1218 0.0537 428 ARG A N 2715 C CA . ARG A 346 ? 0.2935 0.3207 0.2069 0.0055 0.1265 0.0554 428 ARG A CA 2716 C C . ARG A 346 ? 0.3377 0.3645 0.2415 0.0076 0.1301 0.0497 428 ARG A C 2717 O O . ARG A 346 ? 0.3000 0.3253 0.2025 0.0073 0.1261 0.0437 428 ARG A O 2718 C CB . ARG A 346 ? 0.2777 0.3027 0.1797 0.0055 0.1197 0.0556 428 ARG A CB 2719 C CG . ARG A 346 ? 0.2582 0.2834 0.1690 0.0034 0.1158 0.0608 428 ARG A CG 2720 C CD . ARG A 346 ? 0.3185 0.3464 0.2416 0.0028 0.1236 0.0691 428 ARG A CD 2721 N NE . ARG A 346 ? 0.3541 0.3830 0.2685 0.0050 0.1306 0.0727 428 ARG A NE 2722 C CZ . ARG A 346 ? 0.3683 0.3967 0.2764 0.0055 0.1299 0.0773 428 ARG A CZ 2723 N NH1 . ARG A 346 ? 0.3915 0.4211 0.2912 0.0078 0.1368 0.0808 428 ARG A NH1 2724 N NH2 . ARG A 346 ? 0.3142 0.3410 0.2240 0.0038 0.1225 0.0784 428 ARG A NH2 2725 N N . GLY A 347 ? 0.3202 0.3484 0.2174 0.0098 0.1377 0.0517 429 GLY A N 2726 C CA . GLY A 347 ? 0.3327 0.3610 0.2212 0.0121 0.1420 0.0464 429 GLY A CA 2727 C C . GLY A 347 ? 0.3299 0.3612 0.2299 0.0127 0.1514 0.0473 429 GLY A C 2728 O O . GLY A 347 ? 0.3105 0.3444 0.2244 0.0118 0.1561 0.0535 429 GLY A O 2729 N N . ARG A 348 ? 0.3837 0.4149 0.2793 0.0143 0.1542 0.0411 430 ARG A N 2730 C CA . ARG A 348 ? 0.3884 0.4226 0.2947 0.0153 0.1635 0.0411 430 ARG A CA 2731 C C . ARG A 348 ? 0.3786 0.4143 0.3053 0.0130 0.1627 0.0428 430 ARG A C 2732 O O . ARG A 348 ? 0.3469 0.3801 0.2764 0.0111 0.1540 0.0402 430 ARG A O 2733 C CB . ARG A 348 ? 0.3790 0.4125 0.2768 0.0174 0.1656 0.0331 430 ARG A CB 2734 C CG . ARG A 348 ? 0.3917 0.4247 0.2702 0.0200 0.1674 0.0308 430 ARG A CG 2735 C CD . ARG A 348 ? 0.5345 0.5671 0.4070 0.0220 0.1701 0.0226 430 ARG A CD 2736 N NE . ARG A 348 ? 0.6037 0.6394 0.4894 0.0230 0.1791 0.0223 430 ARG A NE 2737 C CZ . ARG A 348 ? 0.6133 0.6489 0.5021 0.0239 0.1810 0.0153 430 ARG A CZ 2738 N NH1 . ARG A 348 ? 0.5917 0.6242 0.4712 0.0238 0.1745 0.0081 430 ARG A NH1 2739 N NH2 . ARG A 348 ? 0.6047 0.6436 0.5071 0.0250 0.1895 0.0156 430 ARG A NH2 2740 N N . PRO A 349 ? 0.3460 0.3844 0.2883 0.0134 0.1697 0.0469 431 PRO A N 2741 C CA . PRO A 349 ? 0.3742 0.4161 0.3143 0.0158 0.1811 0.0502 431 PRO A CA 2742 C C . PRO A 349 ? 0.3867 0.4302 0.3315 0.0150 0.1837 0.0593 431 PRO A C 2743 O O . PRO A 349 ? 0.4002 0.4470 0.3501 0.0164 0.1934 0.0639 431 PRO A O 2744 C CB . PRO A 349 ? 0.3634 0.4070 0.3223 0.0164 0.1861 0.0492 431 PRO A CB 2745 C CG . PRO A 349 ? 0.3756 0.4172 0.3520 0.0135 0.1769 0.0501 431 PRO A CG 2746 C CD . PRO A 349 ? 0.3282 0.3664 0.2929 0.0117 0.1664 0.0486 431 PRO A CD 2747 N N . ASN A 350 A 0.4091 0.4504 0.3528 0.0128 0.1753 0.0618 432 ASN A N 2748 C CA . ASN A 350 A 0.3858 0.4281 0.3361 0.0118 0.1767 0.0704 432 ASN A CA 2749 C C . ASN A 350 A 0.4146 0.4594 0.3525 0.0140 0.1862 0.0753 432 ASN A C 2750 O O . ASN A 350 A 0.3818 0.4247 0.2999 0.0162 0.1844 0.0720 432 ASN A O 2751 C CB . ASN A 350 A 0.3520 0.3913 0.2998 0.0095 0.1659 0.0712 432 ASN A CB 2752 C CG . ASN A 350 A 0.3575 0.3948 0.3210 0.0073 0.1571 0.0686 432 ASN A CG 2753 O OD1 . ASN A 350 A 0.3623 0.4006 0.3406 0.0073 0.1589 0.0672 432 ASN A OD1 2754 N ND2 . ASN A 350 A 0.3173 0.3520 0.2775 0.0056 0.1474 0.0678 432 ASN A ND2 2755 N N . LYS A 351 ? 0.4406 0.4883 0.3924 0.0142 0.1937 0.0828 432 LYS A N 2756 C CA . LYS A 351 ? 0.4998 0.5503 0.4421 0.0163 0.2036 0.0890 432 LYS A CA 2757 C C . LYS A 351 ? 0.4477 0.4954 0.3742 0.0165 0.1978 0.0916 432 LYS A C 2758 O O . LYS A 351 ? 0.4066 0.4528 0.3400 0.0139 0.1911 0.0950 432 LYS A O 2759 C CB . LYS A 351 ? 0.4871 0.5406 0.4510 0.0158 0.2109 0.0976 432 LYS A CB 2760 C CG . LYS A 351 ? 0.5380 0.5951 0.4942 0.0183 0.2230 0.1048 432 LYS A CG 2761 C CD . LYS A 351 ? 0.5540 0.6142 0.5346 0.0175 0.2305 0.1129 432 LYS A CD 2762 C CE . LYS A 351 ? 0.6079 0.6722 0.5814 0.0202 0.2438 0.1205 432 LYS A CE 2763 N NZ . LYS A 351 ? 0.5501 0.6176 0.5491 0.0192 0.2511 0.1291 432 LYS A NZ 2764 N N . ASN A 352 ? 0.4290 0.4762 0.3346 0.0198 0.2000 0.0895 433 ASN A N 2765 C CA . ASN A 352 ? 0.4544 0.4997 0.3443 0.0206 0.1954 0.0922 433 ASN A CA 2766 C C . ASN A 352 ? 0.4464 0.4873 0.3260 0.0196 0.1824 0.0851 433 ASN A C 2767 O O . ASN A 352 ? 0.4410 0.4805 0.3074 0.0204 0.1781 0.0863 433 ASN A O 2768 C CB . ASN A 352 ? 0.4285 0.4750 0.3292 0.0190 0.1977 0.1032 433 ASN A CB 2769 C CG . ASN A 352 ? 0.5636 0.6144 0.4691 0.0208 0.2112 0.1113 433 ASN A CG 2770 O OD1 . ASN A 352 ? 0.6124 0.6650 0.5335 0.0190 0.2152 0.1204 433 ASN A OD1 2771 N ND2 . ASN A 352 ? 0.5145 0.5672 0.4072 0.0244 0.2185 0.1081 433 ASN A ND2 2772 N N . ASP A 353 ? 0.4419 0.4812 0.3283 0.0178 0.1766 0.0782 434 ASP A N 2773 C CA . ASP A 353 ? 0.4271 0.4627 0.3028 0.0173 0.1655 0.0707 434 ASP A CA 2774 C C . ASP A 353 ? 0.3933 0.4286 0.2531 0.0201 0.1670 0.0634 434 ASP A C 2775 O O . ASP A 353 ? 0.4133 0.4482 0.2757 0.0202 0.1673 0.0569 434 ASP A O 2776 C CB . ASP A 353 ? 0.3937 0.4277 0.2824 0.0144 0.1586 0.0667 434 ASP A CB 2777 C CG . ASP A 353 ? 0.3496 0.3829 0.2486 0.0116 0.1530 0.0717 434 ASP A CG 2778 O OD1 . ASP A 353 ? 0.4165 0.4503 0.3133 0.0118 0.1545 0.0783 434 ASP A OD1 2779 O OD2 . ASP A 353 ? 0.3368 0.3691 0.2459 0.0092 0.1472 0.0693 434 ASP A OD2 2780 N N . ASP A 354 ? 0.4770 0.5124 0.3204 0.0225 0.1680 0.0647 435 ASP A N 2781 C CA . ASP A 354 ? 0.5342 0.5700 0.3616 0.0256 0.1706 0.0587 435 ASP A CA 2782 C C . ASP A 354 ? 0.5440 0.5766 0.3625 0.0251 0.1603 0.0499 435 ASP A C 2783 O O . ASP A 354 ? 0.5326 0.5644 0.3368 0.0264 0.1561 0.0485 435 ASP A O 2784 C CB . ASP A 354 ? 0.6462 0.6840 0.4594 0.0287 0.1761 0.0642 435 ASP A CB 2785 C CG . ASP A 354 ? 0.7527 0.7916 0.5489 0.0323 0.1800 0.0582 435 ASP A CG 2786 O OD1 . ASP A 354 ? 0.7462 0.7859 0.5460 0.0330 0.1846 0.0529 435 ASP A OD1 2787 O OD2 . ASP A 354 ? 0.7878 0.8269 0.5675 0.0346 0.1785 0.0587 435 ASP A OD2 2788 N N . VAL A 355 ? 0.4512 0.4822 0.2788 0.0232 0.1567 0.0442 436 VAL A N 2789 C CA . VAL A 355 ? 0.4260 0.4542 0.2475 0.0224 0.1479 0.0359 436 VAL A CA 2790 C C . VAL A 355 ? 0.3805 0.4085 0.2077 0.0224 0.1504 0.0294 436 VAL A C 2791 O O . VAL A 355 ? 0.4254 0.4553 0.2635 0.0225 0.1577 0.0317 436 VAL A O 2792 C CB . VAL A 355 ? 0.3632 0.3889 0.1914 0.0193 0.1377 0.0364 436 VAL A CB 2793 C CG1 . VAL A 355 ? 0.4081 0.4339 0.2304 0.0194 0.1347 0.0420 436 VAL A CG1 2794 C CG2 . VAL A 355 ? 0.3633 0.3892 0.2093 0.0169 0.1384 0.0393 436 VAL A CG2 2795 N N . SER A 356 ? 0.3855 0.4115 0.2064 0.0223 0.1447 0.0216 437 SER A N 2796 C CA . SER A 356 ? 0.4035 0.4291 0.2292 0.0224 0.1470 0.0151 437 SER A CA 2797 C C . SER A 356 ? 0.3664 0.3901 0.2063 0.0193 0.1415 0.0141 437 SER A C 2798 O O . SER A 356 ? 0.3472 0.3711 0.1951 0.0192 0.1444 0.0105 437 SER A O 2799 C CB . SER A 356 ? 0.4096 0.4343 0.2220 0.0240 0.1446 0.0069 437 SER A CB 2800 O OG . SER A 356 ? 0.4226 0.4447 0.2335 0.0219 0.1343 0.0035 437 SER A OG 2801 N N . TRP A 357 ? 0.3786 0.4009 0.2214 0.0170 0.1339 0.0173 438 TRP A N 2802 C CA . TRP A 357 ? 0.3338 0.3544 0.1880 0.0143 0.1279 0.0164 438 TRP A CA 2803 C C . TRP A 357 ? 0.3034 0.3254 0.1719 0.0129 0.1303 0.0227 438 TRP A C 2804 O O . TRP A 357 ? 0.3075 0.3317 0.1781 0.0137 0.1360 0.0286 438 TRP A O 2805 C CB . TRP A 357 ? 0.3071 0.3253 0.1564 0.0126 0.1176 0.0148 438 TRP A CB 2806 C CG . TRP A 357 ? 0.3176 0.3363 0.1603 0.0130 0.1154 0.0194 438 TRP A CG 2807 C CD1 . TRP A 357 ? 0.3294 0.3481 0.1590 0.0145 0.1139 0.0179 438 TRP A CD1 2808 C CD2 . TRP A 357 ? 0.3220 0.3413 0.1713 0.0119 0.1145 0.0261 438 TRP A CD2 2809 N NE1 . TRP A 357 ? 0.3098 0.3290 0.1374 0.0144 0.1122 0.0235 438 TRP A NE1 2810 C CE2 . TRP A 357 ? 0.3201 0.3397 0.1599 0.0128 0.1126 0.0286 438 TRP A CE2 2811 C CE3 . TRP A 357 ? 0.2860 0.3059 0.1489 0.0103 0.1151 0.0302 438 TRP A CE3 2812 C CZ2 . TRP A 357 ? 0.2893 0.3093 0.1326 0.0121 0.1115 0.0349 438 TRP A CZ2 2813 C CZ3 . TRP A 357 ? 0.3104 0.3310 0.1770 0.0095 0.1139 0.0363 438 TRP A CZ3 2814 C CH2 . TRP A 357 ? 0.3137 0.3342 0.1706 0.0104 0.1122 0.0387 438 TRP A CH2 2815 N N . THR A 358 ? 0.2615 0.2826 0.1402 0.0109 0.1259 0.0217 439 THR A N 2816 C CA . THR A 358 ? 0.2940 0.3165 0.1868 0.0093 0.1263 0.0270 439 THR A CA 2817 C C . THR A 358 ? 0.2506 0.2710 0.1450 0.0071 0.1164 0.0262 439 THR A C 2818 O O . THR A 358 ? 0.2416 0.2602 0.1347 0.0066 0.1122 0.0214 439 THR A O 2819 C CB . THR A 358 ? 0.3006 0.3251 0.2068 0.0094 0.1323 0.0264 439 THR A CB 2820 O OG1 . THR A 358 ? 0.3046 0.3315 0.2099 0.0116 0.1421 0.0268 439 THR A OG1 2821 C CG2 . THR A 358 ? 0.2515 0.2781 0.1737 0.0075 0.1319 0.0318 439 THR A CG2 2822 N N . SER A 359 ? 0.2762 0.2969 0.1734 0.0060 0.1131 0.0309 440 SER A N 2823 C CA . SER A 359 ? 0.2492 0.2684 0.1482 0.0042 0.1042 0.0303 440 SER A CA 2824 C C . SER A 359 ? 0.2856 0.3063 0.1942 0.0028 0.1037 0.0363 440 SER A C 2825 O O . SER A 359 ? 0.2539 0.2771 0.1712 0.0029 0.1105 0.0409 440 SER A O 2826 C CB . SER A 359 ? 0.2504 0.2673 0.1368 0.0043 0.0975 0.0271 440 SER A CB 2827 O OG . SER A 359 ? 0.2336 0.2490 0.1214 0.0028 0.0894 0.0250 440 SER A OG 2828 N N . ASN A 360 ? 0.2584 0.2779 0.1665 0.0015 0.0959 0.0364 441 ASN A N 2829 C CA . ASN A 360 ? 0.2178 0.2388 0.1359 0.0000 0.0948 0.0415 441 ASN A CA 2830 C C . ASN A 360 ? 0.1989 0.2183 0.1119 -0.0008 0.0864 0.0410 441 ASN A C 2831 O O . ASN A 360 ? 0.1978 0.2153 0.1023 -0.0004 0.0808 0.0362 441 ASN A O 2832 C CB . ASN A 360 ? 0.1832 0.2040 0.1169 -0.0005 0.0921 0.0409 441 ASN A CB 2833 C CG . ASN A 360 ? 0.1925 0.2116 0.1228 -0.0011 0.0846 0.0366 441 ASN A CG 2834 O OD1 . ASN A 360 ? 0.2242 0.2427 0.1482 -0.0007 0.0855 0.0327 441 ASN A OD1 2835 N ND2 . ASN A 360 ? 0.1679 0.1864 0.1025 -0.0020 0.0773 0.0374 441 ASN A ND2 2836 N N . SER A 361 ? 0.1949 0.2148 0.1159 -0.0016 0.0846 0.0453 442 SER A N 2837 C CA . SER A 361 ? 0.1890 0.2077 0.1085 -0.0024 0.0764 0.0446 442 SER A CA 2838 C C . SER A 361 ? 0.1729 0.1914 0.1085 -0.0031 0.0715 0.0451 442 SER A C 2839 O O . SER A 361 ? 0.1906 0.2098 0.1376 -0.0030 0.0743 0.0459 442 SER A O 2840 C CB . SER A 361 ? 0.2019 0.2205 0.1167 -0.0025 0.0763 0.0482 442 SER A CB 2841 O OG . SER A 361 ? 0.2145 0.2340 0.1413 -0.0026 0.0802 0.0538 442 SER A OG 2842 N N . ILE A 362 ? 0.1726 0.1903 0.1089 -0.0036 0.0639 0.0442 443 ILE A N 2843 C CA . ILE A 362 ? 0.2128 0.2302 0.1624 -0.0040 0.0579 0.0437 443 ILE A CA 2844 C C . ILE A 362 ? 0.2018 0.2189 0.1581 -0.0044 0.0532 0.0459 443 ILE A C 2845 O O . ILE A 362 ? 0.2081 0.2246 0.1552 -0.0044 0.0514 0.0458 443 ILE A O 2846 C CB . ILE A 362 ? 0.1864 0.2032 0.1300 -0.0038 0.0516 0.0390 443 ILE A CB 2847 C CG1 . ILE A 362 ? 0.1967 0.2135 0.1354 -0.0035 0.0557 0.0368 443 ILE A CG1 2848 C CG2 . ILE A 362 ? 0.2063 0.2230 0.1626 -0.0038 0.0449 0.0384 443 ILE A CG2 2849 C CD1 . ILE A 362 ? 0.1666 0.1826 0.0973 -0.0034 0.0507 0.0328 443 ILE A CD1 2850 N N . VAL A 363 ? 0.1823 0.1997 0.1554 -0.0046 0.0510 0.0475 444 VAL A N 2851 C CA . VAL A 363 ? 0.1800 0.1967 0.1610 -0.0050 0.0447 0.0482 444 VAL A CA 2852 C C . VAL A 363 ? 0.1476 0.1644 0.1406 -0.0047 0.0379 0.0457 444 VAL A C 2853 O O . VAL A 363 ? 0.1769 0.1944 0.1769 -0.0046 0.0397 0.0455 444 VAL A O 2854 C CB . VAL A 363 ? 0.1610 0.1781 0.1524 -0.0055 0.0490 0.0538 444 VAL A CB 2855 C CG1 . VAL A 363 ? 0.1524 0.1708 0.1606 -0.0057 0.0536 0.0567 444 VAL A CG1 2856 C CG2 . VAL A 363 ? 0.1677 0.1837 0.1657 -0.0058 0.0422 0.0541 444 VAL A CG2 2857 N N . THR A 364 ? 0.1402 0.1563 0.1347 -0.0045 0.0299 0.0433 445 THR A N 2858 C CA . THR A 364 ? 0.1527 0.1689 0.1562 -0.0039 0.0225 0.0403 445 THR A CA 2859 C C . THR A 364 ? 0.1551 0.1708 0.1717 -0.0040 0.0161 0.0403 445 THR A C 2860 O O . THR A 364 ? 0.1457 0.1607 0.1606 -0.0043 0.0155 0.0413 445 THR A O 2861 C CB . THR A 364 ? 0.1506 0.1666 0.1401 -0.0030 0.0175 0.0357 445 THR A CB 2862 O OG1 . THR A 364 ? 0.1550 0.1703 0.1336 -0.0029 0.0149 0.0341 445 THR A OG1 2863 C CG2 . THR A 364 ? 0.1902 0.2064 0.1691 -0.0031 0.0232 0.0354 445 THR A CG2 2864 N N . PHE A 365 ? 0.1584 0.1745 0.1889 -0.0035 0.0110 0.0390 446 PHE A N 2865 C CA . PHE A 365 ? 0.1391 0.1549 0.1840 -0.0034 0.0040 0.0380 446 PHE A CA 2866 C C . PHE A 365 ? 0.1498 0.1658 0.1969 -0.0020 -0.0051 0.0331 446 PHE A C 2867 O O . PHE A 365 ? 0.1544 0.1711 0.1999 -0.0014 -0.0047 0.0324 446 PHE A O 2868 C CB . PHE A 365 ? 0.1357 0.1519 0.2011 -0.0045 0.0078 0.0426 446 PHE A CB 2869 C CG . PHE A 365 ? 0.1525 0.1687 0.2157 -0.0056 0.0172 0.0481 446 PHE A CG 2870 C CD1 . PHE A 365 ? 0.1598 0.1770 0.2161 -0.0059 0.0261 0.0508 446 PHE A CD1 2871 C CD2 . PHE A 365 ? 0.1859 0.2011 0.2531 -0.0062 0.0168 0.0505 446 PHE A CD2 2872 C CE1 . PHE A 365 ? 0.1784 0.1958 0.2310 -0.0065 0.0346 0.0557 446 PHE A CE1 2873 C CE2 . PHE A 365 ? 0.1767 0.1920 0.2406 -0.0070 0.0252 0.0560 446 PHE A CE2 2874 C CZ . PHE A 365 ? 0.1684 0.1848 0.2246 -0.0071 0.0341 0.0586 446 PHE A CZ 2875 N N . CYS A 366 ? 0.1625 0.1779 0.2130 -0.0012 -0.0133 0.0297 447 CYS A N 2876 C CA . CYS A 366 ? 0.1656 0.1815 0.2197 0.0005 -0.0226 0.0250 447 CYS A CA 2877 C C . CYS A 366 ? 0.1653 0.1810 0.2394 0.0007 -0.0292 0.0238 447 CYS A C 2878 O O . CYS A 366 ? 0.1693 0.1841 0.2519 -0.0002 -0.0287 0.0254 447 CYS A O 2879 C CB . CYS A 366 ? 0.1419 0.1577 0.1787 0.0021 -0.0280 0.0202 447 CYS A CB 2880 S SG . CYS A 366 ? 0.1879 0.2042 0.2035 0.0023 -0.0226 0.0205 447 CYS A SG 2881 N N . GLY A 367 ? 0.1881 0.2046 0.2701 0.0020 -0.0359 0.0209 448 GLY A N 2882 C CA . GLY A 367 ? 0.1756 0.1920 0.2779 0.0024 -0.0432 0.0191 448 GLY A CA 2883 C C . GLY A 367 ? 0.1583 0.1741 0.2573 0.0042 -0.0532 0.0129 448 GLY A C 2884 O O . GLY A 367 ? 0.1857 0.2020 0.2693 0.0062 -0.0579 0.0087 448 GLY A O 2885 N N . LEU A 368 ? 0.1683 0.1832 0.2824 0.0036 -0.0565 0.0124 449 LEU A N 2886 C CA . LEU A 368 ? 0.1611 0.1754 0.2759 0.0055 -0.0667 0.0059 449 LEU A CA 2887 C C . LEU A 368 ? 0.1727 0.1868 0.3130 0.0054 -0.0732 0.0045 449 LEU A C 2888 O O . LEU A 368 ? 0.1905 0.2046 0.3480 0.0033 -0.0681 0.0097 449 LEU A O 2889 C CB . LEU A 368 ? 0.1565 0.1694 0.2641 0.0050 -0.0648 0.0059 449 LEU A CB 2890 C CG . LEU A 368 ? 0.1654 0.1784 0.2487 0.0051 -0.0592 0.0067 449 LEU A CG 2891 C CD1 . LEU A 368 ? 0.1643 0.1758 0.2457 0.0042 -0.0571 0.0077 449 LEU A CD1 2892 C CD2 . LEU A 368 ? 0.1687 0.1827 0.2358 0.0078 -0.0654 0.0007 449 LEU A CD2 2893 N N . ASP A 369 ? 0.1765 0.1906 0.3193 0.0078 -0.0843 -0.0026 450 ASP A N 2894 C CA . ASP A 369 ? 0.1957 0.2095 0.3631 0.0080 -0.0920 -0.0052 450 ASP A CA 2895 C C . ASP A 369 ? 0.2356 0.2474 0.4149 0.0067 -0.0924 -0.0050 450 ASP A C 2896 O O . ASP A 369 ? 0.2517 0.2628 0.4435 0.0080 -0.1018 -0.0105 450 ASP A O 2897 C CB . ASP A 369 ? 0.2070 0.2217 0.3710 0.0114 -0.1043 -0.0136 450 ASP A CB 2898 C CG . ASP A 369 ? 0.2872 0.3022 0.4762 0.0118 -0.1124 -0.0161 450 ASP A CG 2899 O OD1 . ASP A 369 ? 0.3247 0.3399 0.5326 0.0094 -0.1075 -0.0106 450 ASP A OD1 2900 O OD2 . ASP A 369 ? 0.3617 0.3771 0.5512 0.0147 -0.1238 -0.0237 450 ASP A OD2 2901 N N . ASN A 370 ? 0.1935 0.2045 0.3689 0.0044 -0.0824 0.0015 451 ASN A N 2902 C CA . ASN A 370 ? 0.2022 0.2112 0.3883 0.0030 -0.0812 0.0034 451 ASN A CA 2903 C C . ASN A 370 ? 0.2143 0.2232 0.4143 -0.0001 -0.0710 0.0127 451 ASN A C 2904 O O . ASN A 370 ? 0.2172 0.2275 0.4122 -0.0010 -0.0633 0.0174 451 ASN A O 2905 C CB . ASN A 370 ? 0.1721 0.1802 0.3372 0.0035 -0.0787 0.0026 451 ASN A CB 2906 C CG . ASN A 370 ? 0.2547 0.2632 0.4046 0.0067 -0.0877 -0.0063 451 ASN A CG 2907 O OD1 . ASN A 370 ? 0.2795 0.2881 0.4380 0.0087 -0.0977 -0.0128 451 ASN A OD1 2908 N ND2 . ASN A 370 ? 0.2396 0.2483 0.3667 0.0074 -0.0841 -0.0067 451 ASN A ND2 2909 N N . GLU A 371 ? 0.2403 0.2475 0.4579 -0.0015 -0.0707 0.0153 452 GLU A N 2910 C CA . GLU A 371 ? 0.2285 0.2357 0.4590 -0.0043 -0.0605 0.0247 452 GLU A CA 2911 C C . GLU A 371 ? 0.2153 0.2221 0.4257 -0.0051 -0.0506 0.0301 452 GLU A C 2912 O O . GLU A 371 ? 0.2330 0.2382 0.4317 -0.0044 -0.0525 0.0280 452 GLU A O 2913 C CB . GLU A 371 ? 0.2821 0.2875 0.5383 -0.0054 -0.0639 0.0260 452 GLU A CB 2914 C CG . GLU A 371 ? 0.4080 0.4143 0.6925 -0.0069 -0.0640 0.0290 452 GLU A CG 2915 C CD . GLU A 371 ? 0.4985 0.5059 0.7918 -0.0050 -0.0753 0.0208 452 GLU A CD 2916 O OE1 . GLU A 371 ? 0.4990 0.5084 0.7815 -0.0040 -0.0748 0.0194 452 GLU A OE1 2917 O OE2 . GLU A 371 ? 0.5570 0.5631 0.8685 -0.0045 -0.0849 0.0158 452 GLU A OE2 2918 N N . PRO A 372 ? 0.2280 0.2362 0.4347 -0.0065 -0.0400 0.0370 453 PRO A N 2919 C CA . PRO A 372 ? 0.2641 0.2720 0.4519 -0.0072 -0.0304 0.0422 453 PRO A CA 2920 C C . PRO A 372 ? 0.2880 0.2946 0.4864 -0.0089 -0.0245 0.0496 453 PRO A C 2921 O O . PRO A 372 ? 0.2635 0.2696 0.4863 -0.0100 -0.0258 0.0523 453 PRO A O 2922 C CB . PRO A 372 ? 0.2506 0.2607 0.4331 -0.0077 -0.0219 0.0462 453 PRO A CB 2923 C CG . PRO A 372 ? 0.2414 0.2528 0.4436 -0.0077 -0.0262 0.0444 453 PRO A CG 2924 C CD . PRO A 372 ? 0.2044 0.2146 0.4243 -0.0072 -0.0368 0.0397 453 PRO A CD 2925 N N . GLY A 373 ? 0.2400 0.2460 0.4203 -0.0091 -0.0181 0.0532 454 GLY A N 2926 C CA . GLY A 373 ? 0.2627 0.2679 0.4489 -0.0106 -0.0104 0.0617 454 GLY A CA 2927 C C . GLY A 373 ? 0.2386 0.2459 0.4219 -0.0115 0.0010 0.0685 454 GLY A C 2928 O O . GLY A 373 ? 0.2369 0.2460 0.4251 -0.0115 0.0018 0.0672 454 GLY A O 2929 N N . SER A 374 ? 0.2063 0.2134 0.3814 -0.0121 0.0098 0.0757 455 SER A N 2930 C CA . SER A 374 ? 0.2369 0.2462 0.4072 -0.0127 0.0211 0.0819 455 SER A CA 2931 C C . SER A 374 ? 0.2517 0.2608 0.3982 -0.0122 0.0277 0.0851 455 SER A C 2932 O O . SER A 374 ? 0.2788 0.2860 0.4186 -0.0119 0.0253 0.0855 455 SER A O 2933 C CB . SER A 374 ? 0.2291 0.2391 0.4233 -0.0142 0.0273 0.0901 455 SER A CB 2934 O OG . SER A 374 ? 0.3286 0.3368 0.5292 -0.0149 0.0284 0.0957 455 SER A OG 2935 N N . GLY A 375 ? 0.2456 0.2567 0.3798 -0.0119 0.0358 0.0869 456 GLY A N 2936 C CA . GLY A 375 ? 0.2470 0.2583 0.3582 -0.0113 0.0420 0.0892 456 GLY A CA 2937 C C . GLY A 375 ? 0.2491 0.2628 0.3527 -0.0110 0.0513 0.0913 456 GLY A C 2938 O O . GLY A 375 ? 0.2667 0.2820 0.3847 -0.0115 0.0540 0.0925 456 GLY A O 2939 N N . ASN A 376 ? 0.2474 0.2614 0.3285 -0.0102 0.0559 0.0916 457 ASN A N 2940 C CA . ASN A 376 ? 0.2530 0.2691 0.3241 -0.0096 0.0649 0.0931 457 ASN A CA 2941 C C . ASN A 376 ? 0.2279 0.2436 0.2740 -0.0086 0.0635 0.0879 457 ASN A C 2942 O O . ASN A 376 ? 0.2165 0.2310 0.2505 -0.0082 0.0622 0.0887 457 ASN A O 2943 C CB . ASN A 376 ? 0.2985 0.3157 0.3709 -0.0097 0.0751 0.1022 457 ASN A CB 2944 C CG . ASN A 376 ? 0.2888 0.3084 0.3516 -0.0088 0.0849 0.1037 457 ASN A CG 2945 O OD1 . ASN A 376 ? 0.3070 0.3280 0.3756 -0.0088 0.0859 0.1006 457 ASN A OD1 2946 N ND2 . ASN A 376 ? 0.3537 0.3738 0.4017 -0.0079 0.0922 0.1084 457 ASN A ND2 2947 N N . TRP A 377 ? 0.2159 0.2326 0.2552 -0.0081 0.0636 0.0829 458 TRP A N 2948 C CA . TRP A 377 ? 0.2203 0.2367 0.2380 -0.0073 0.0616 0.0775 458 TRP A CA 2949 C C . TRP A 377 ? 0.2370 0.2550 0.2452 -0.0066 0.0690 0.0769 458 TRP A C 2950 O O . TRP A 377 ? 0.2183 0.2366 0.2244 -0.0064 0.0667 0.0717 458 TRP A O 2951 C CB . TRP A 377 ? 0.1741 0.1894 0.1921 -0.0072 0.0515 0.0703 458 TRP A CB 2952 C CG . TRP A 377 ? 0.1943 0.2079 0.2194 -0.0075 0.0436 0.0696 458 TRP A CG 2953 C CD1 . TRP A 377 ? 0.1877 0.2000 0.2013 -0.0071 0.0396 0.0679 458 TRP A CD1 2954 C CD2 . TRP A 377 ? 0.1817 0.1948 0.2279 -0.0081 0.0385 0.0700 458 TRP A CD2 2955 N NE1 . TRP A 377 ? 0.1778 0.1887 0.2039 -0.0074 0.0325 0.0672 458 TRP A NE1 2956 C CE2 . TRP A 377 ? 0.1836 0.1949 0.2299 -0.0080 0.0316 0.0683 458 TRP A CE2 2957 C CE3 . TRP A 377 ? 0.1994 0.2134 0.2654 -0.0087 0.0390 0.0714 458 TRP A CE3 2958 C CZ2 . TRP A 377 ? 0.1975 0.2077 0.2624 -0.0084 0.0251 0.0676 458 TRP A CZ2 2959 C CZ3 . TRP A 377 ? 0.1719 0.1850 0.2567 -0.0092 0.0323 0.0708 458 TRP A CZ3 2960 C CH2 . TRP A 377 ? 0.1987 0.2099 0.2828 -0.0090 0.0254 0.0689 458 TRP A CH2 2961 N N . PRO A 378 ? 0.2335 0.2526 0.2356 -0.0061 0.0781 0.0821 459 PRO A N 2962 C CA . PRO A 378 ? 0.2600 0.2809 0.2531 -0.0052 0.0860 0.0817 459 PRO A CA 2963 C C . PRO A 378 ? 0.2233 0.2436 0.1936 -0.0043 0.0854 0.0771 459 PRO A C 2964 O O . PRO A 378 ? 0.2183 0.2371 0.1800 -0.0044 0.0793 0.0749 459 PRO A O 2965 C CB . PRO A 378 ? 0.2403 0.2625 0.2359 -0.0048 0.0954 0.0896 459 PRO A CB 2966 C CG . PRO A 378 ? 0.2650 0.2856 0.2580 -0.0051 0.0919 0.0930 459 PRO A CG 2967 C CD . PRO A 378 ? 0.2118 0.2305 0.2146 -0.0062 0.0811 0.0888 459 PRO A CD 2968 N N . ASP A 379 ? 0.2319 0.2536 0.1934 -0.0033 0.0917 0.0756 460 ASP A N 2969 C CA . ASP A 379 ? 0.2042 0.2254 0.1452 -0.0024 0.0913 0.0710 460 ASP A CA 2970 C C . ASP A 379 ? 0.2565 0.2770 0.1843 -0.0019 0.0908 0.0735 460 ASP A C 2971 O O . ASP A 379 ? 0.2481 0.2675 0.1643 -0.0019 0.0853 0.0695 460 ASP A O 2972 C CB . ASP A 379 ? 0.2366 0.2594 0.1712 -0.0012 0.0993 0.0698 460 ASP A CB 2973 C CG . ASP A 379 ? 0.2783 0.3007 0.1921 -0.0002 0.0994 0.0655 460 ASP A CG 2974 O OD1 . ASP A 379 ? 0.2426 0.2637 0.1522 -0.0003 0.0932 0.0591 460 ASP A OD1 2975 O OD2 . ASP A 379 ? 0.2847 0.3073 0.1894 0.0016 0.1030 0.0672 460 ASP A OD2 2976 N N . GLY A 380 ? 0.2791 0.3004 0.2092 -0.0015 0.0968 0.0804 461 GLY A N 2977 C CA . GLY A 380 ? 0.2690 0.2896 0.1891 -0.0010 0.0962 0.0839 461 GLY A CA 2978 C C . GLY A 380 ? 0.2943 0.3154 0.1946 0.0012 0.0993 0.0822 461 GLY A C 2979 O O . GLY A 380 ? 0.3040 0.3245 0.1963 0.0022 0.0979 0.0846 461 GLY A O 2980 N N . SER A 381 ? 0.2737 0.2955 0.1689 0.0025 0.1017 0.0769 462 SER A N 2981 C CA . SER A 381 ? 0.2845 0.3062 0.1641 0.0051 0.1028 0.0734 462 SER A CA 2982 C C . SER A 381 ? 0.3319 0.3553 0.2079 0.0070 0.1118 0.0799 462 SER A C 2983 O O . SER A 381 ? 0.3407 0.3659 0.2262 0.0067 0.1194 0.0845 462 SER A O 2984 C CB . SER A 381 ? 0.3265 0.3479 0.2026 0.0058 0.1024 0.0657 462 SER A CB 2985 O OG . SER A 381 ? 0.3396 0.3595 0.2167 0.0044 0.0940 0.0597 462 SER A OG 2986 N N . ASN A 382 ? 0.3047 0.3279 0.1672 0.0090 0.1110 0.0804 463 ASN A N 2987 C CA . ASN A 382 ? 0.3515 0.3765 0.2063 0.0114 0.1194 0.0853 463 ASN A CA 2988 C C . ASN A 382 ? 0.3684 0.3938 0.2132 0.0134 0.1214 0.0783 463 ASN A C 2989 O O . ASN A 382 ? 0.3750 0.3994 0.2078 0.0145 0.1163 0.0724 463 ASN A O 2990 C CB . ASN A 382 ? 0.3835 0.4082 0.2279 0.0128 0.1171 0.0892 463 ASN A CB 2991 C CG . ASN A 382 ? 0.4340 0.4607 0.2694 0.0155 0.1259 0.0953 463 ASN A CG 2992 O OD1 . ASN A 382 ? 0.4541 0.4822 0.2841 0.0173 0.1320 0.0932 463 ASN A OD1 2993 N ND2 . ASN A 382 ? 0.4428 0.4697 0.2761 0.0160 0.1268 0.1033 463 ASN A ND2 2994 N N . ILE A 383 ? 0.3680 0.3948 0.2188 0.0136 0.1289 0.0787 464 ILE A N 2995 C CA . ILE A 383 ? 0.3598 0.3867 0.2036 0.0151 0.1305 0.0714 464 ILE A CA 2996 C C . ILE A 383 ? 0.4201 0.4475 0.2457 0.0182 0.1321 0.0698 464 ILE A C 2997 O O . ILE A 383 ? 0.4625 0.4893 0.2795 0.0193 0.1303 0.0624 464 ILE A O 2998 C CB . ILE A 383 ? 0.4126 0.4415 0.2663 0.0152 0.1395 0.0730 464 ILE A CB 2999 C CG1 . ILE A 383 ? 0.4453 0.4735 0.2963 0.0156 0.1386 0.0641 464 ILE A CG1 3000 C CG2 . ILE A 383 ? 0.4557 0.4874 0.3052 0.0175 0.1500 0.0799 464 ILE A CG2 3001 C CD1 . ILE A 383 ? 0.3727 0.3985 0.2298 0.0132 0.1293 0.0584 464 ILE A CD1 3002 N N . GLY A 384 ? 0.4802 0.5088 0.3002 0.0196 0.1353 0.0771 465 GLY A N 3003 C CA . GLY A 384 ? 0.4465 0.4759 0.2485 0.0228 0.1368 0.0766 465 GLY A CA 3004 C C . GLY A 384 ? 0.4548 0.4824 0.2472 0.0228 0.1268 0.0706 465 GLY A C 3005 O O . GLY A 384 ? 0.5073 0.5354 0.2850 0.0252 0.1266 0.0672 465 GLY A O 3006 N N . PHE A 385 ? 0.4090 0.4347 0.2099 0.0201 0.1186 0.0692 466 PHE A N 3007 C CA . PHE A 385 ? 0.3890 0.4132 0.1830 0.0198 0.1092 0.0637 466 PHE A CA 3008 C C . PHE A 385 ? 0.4212 0.4443 0.2146 0.0191 0.1051 0.0539 466 PHE A C 3009 O O . PHE A 385 ? 0.4024 0.4247 0.1892 0.0193 0.0985 0.0486 466 PHE A O 3010 C CB . PHE A 385 ? 0.4055 0.4283 0.2089 0.0173 0.1024 0.0658 466 PHE A CB 3011 C CG . PHE A 385 ? 0.4169 0.4404 0.2200 0.0178 0.1045 0.0750 466 PHE A CG 3012 C CD1 . PHE A 385 ? 0.4338 0.4589 0.2255 0.0207 0.1103 0.0802 466 PHE A CD1 3013 C CD2 . PHE A 385 ? 0.3702 0.3926 0.1843 0.0155 0.1005 0.0785 466 PHE A CD2 3014 C CE1 . PHE A 385 ? 0.4223 0.4480 0.2144 0.0210 0.1123 0.0895 466 PHE A CE1 3015 C CE2 . PHE A 385 ? 0.4212 0.4440 0.2362 0.0158 0.1023 0.0874 466 PHE A CE2 3016 C CZ . PHE A 385 ? 0.4567 0.4810 0.2610 0.0185 0.1083 0.0932 466 PHE A CZ 3017 N N . MET A 386 ? 0.4350 0.4580 0.2362 0.0184 0.1090 0.0520 467 MET A N 3018 C CA . MET A 386 ? 0.4016 0.4232 0.2054 0.0172 0.1049 0.0438 467 MET A CA 3019 C C . MET A 386 ? 0.4484 0.4705 0.2407 0.0193 0.1071 0.0379 467 MET A C 3020 O O . MET A 386 ? 0.4926 0.5164 0.2775 0.0218 0.1146 0.0400 467 MET A O 3021 C CB . MET A 386 ? 0.3683 0.3897 0.1860 0.0154 0.1077 0.0441 467 MET A CB 3022 C CG . MET A 386 ? 0.3440 0.3650 0.1739 0.0132 0.1053 0.0491 467 MET A CG 3023 S SD . MET A 386 ? 0.3379 0.3570 0.1702 0.0110 0.0936 0.0452 467 MET A SD 3024 C CE . MET A 386 ? 0.2694 0.2870 0.1043 0.0099 0.0903 0.0367 467 MET A CE 3025 N N . PRO A 387 ? 0.3808 0.4015 0.1720 0.0183 0.1007 0.0305 468 PRO A N 3026 C CA . PRO A 387 ? 0.3675 0.3883 0.1509 0.0197 0.1024 0.0238 468 PRO A CA 3027 C C . PRO A 387 ? 0.4235 0.4446 0.2134 0.0198 0.1095 0.0232 468 PRO A C 3028 O O . PRO A 387 ? 0.4100 0.4301 0.2125 0.0176 0.1085 0.0237 468 PRO A O 3029 C CB . PRO A 387 ? 0.4110 0.4300 0.1976 0.0176 0.0938 0.0175 468 PRO A CB 3030 C CG . PRO A 387 ? 0.3740 0.3919 0.1725 0.0149 0.0891 0.0207 468 PRO A CG 3031 C CD . PRO A 387 ? 0.3675 0.3866 0.1650 0.0158 0.0917 0.0282 468 PRO A CD 3032 N N . LYS A 388 ? 0.4365 0.4592 0.2179 0.0225 0.1167 0.0221 469 LYS A N 3033 C CA . LYS A 388 ? 0.4339 0.4575 0.2219 0.0230 0.1248 0.0223 469 LYS A CA 3034 C C . LYS A 388 ? 0.4002 0.4224 0.1927 0.0220 0.1232 0.0146 469 LYS A C 3035 O O . LYS A 388 ? 0.4380 0.4589 0.2255 0.0216 0.1173 0.0084 469 LYS A O 3036 C CB . LYS A 388 ? 0.4923 0.5186 0.2698 0.0266 0.1341 0.0245 469 LYS A CB 3037 C CG . LYS A 388 ? 0.4670 0.4949 0.2406 0.0277 0.1370 0.0334 469 LYS A CG 3038 C CD . LYS A 388 ? 0.5456 0.5765 0.3093 0.0314 0.1475 0.0362 469 LYS A CD 3039 C CE . LYS A 388 ? 0.5202 0.5527 0.2794 0.0326 0.1505 0.0457 469 LYS A CE 3040 N NZ . LYS A 388 ? 0.5602 0.5926 0.3355 0.0300 0.1517 0.0533 469 LYS A NZ 3041 O OXT . LYS A 388 ? 0.4371 0.4595 0.2391 0.0215 0.1282 0.0146 469 LYS A OXT 3042 C C1 . NAG B . ? 0.4804 0.5063 0.2714 0.0307 0.1532 -0.0160 501 NAG A C1 3043 C C2 . NAG B . ? 0.5250 0.5528 0.2989 0.0335 0.1546 -0.0141 501 NAG A C2 3044 C C3 . NAG B . ? 0.5317 0.5627 0.2977 0.0377 0.1653 -0.0158 501 NAG A C3 3045 C C4 . NAG B . ? 0.5709 0.6016 0.3385 0.0390 0.1677 -0.0257 501 NAG A C4 3046 C C5 . NAG B . ? 0.5327 0.5614 0.3193 0.0358 0.1660 -0.0264 501 NAG A C5 3047 C C6 . NAG B . ? 0.5432 0.5714 0.3324 0.0371 0.1680 -0.0364 501 NAG A C6 3048 C C7 . NAG B . ? 0.4529 0.4800 0.2199 0.0317 0.1458 -0.0033 501 NAG A C7 3049 C C8 . NAG B . ? 0.4405 0.4679 0.2113 0.0304 0.1446 0.0062 501 NAG A C8 3050 N N2 . NAG B . ? 0.4860 0.5141 0.2611 0.0323 0.1532 -0.0048 501 NAG A N2 3051 O O3 . NAG B . ? 0.5816 0.6142 0.3296 0.0406 0.1656 -0.0152 501 NAG A O3 3052 O O4 . NAG B . ? 0.6130 0.6471 0.3758 0.0429 0.1786 -0.0269 501 NAG A O4 3053 O O5 . NAG B . ? 0.4549 0.4806 0.2459 0.0321 0.1558 -0.0248 501 NAG A O5 3054 O O6 . NAG B . ? 0.5877 0.6141 0.3669 0.0371 0.1605 -0.0433 501 NAG A O6 3055 O O7 . NAG B . ? 0.4746 0.5009 0.2324 0.0323 0.1402 -0.0093 501 NAG A O7 3056 C C1 . NAG C . ? 0.6221 0.6568 0.3698 0.0463 0.1788 -0.0360 502 NAG A C1 3057 C C2 . NAG C . ? 0.6574 0.6955 0.4039 0.0503 0.1906 -0.0392 502 NAG A C2 3058 C C3 . NAG C . ? 0.6864 0.7258 0.4151 0.0547 0.1920 -0.0487 502 NAG A C3 3059 C C4 . NAG C . ? 0.7465 0.7863 0.4567 0.0560 0.1866 -0.0465 502 NAG A C4 3060 C C5 . NAG C . ? 0.6832 0.7194 0.3989 0.0514 0.1746 -0.0442 502 NAG A C5 3061 C C6 . NAG C . ? 0.7423 0.7789 0.4411 0.0526 0.1684 -0.0430 502 NAG A C6 3062 C C7 . NAG C . ? 0.6792 0.7179 0.4583 0.0478 0.1995 -0.0356 502 NAG A C7 3063 C C8 . NAG C . ? 0.6710 0.7092 0.4680 0.0470 0.2025 -0.0400 502 NAG A C8 3064 N N2 . NAG C . ? 0.6547 0.6919 0.4191 0.0489 0.1934 -0.0425 502 NAG A N2 3065 O O3 . NAG C . ? 0.7242 0.7674 0.4498 0.0589 0.2039 -0.0497 502 NAG A O3 3066 O O4 . NAG C . ? 0.7707 0.8116 0.4651 0.0599 0.1864 -0.0565 502 NAG A O4 3067 O O5 . NAG C . ? 0.6576 0.6930 0.3880 0.0479 0.1750 -0.0347 502 NAG A O5 3068 O O6 . NAG C . ? 0.8011 0.8403 0.4929 0.0543 0.1739 -0.0334 502 NAG A O6 3069 O O7 . NAG C . ? 0.6656 0.7059 0.4447 0.0475 0.2027 -0.0261 502 NAG A O7 3070 C C1 . FUC D . ? 0.6152 0.6419 0.3919 0.0397 0.1640 -0.0534 503 FUC A C1 3071 C C2 . FUC D . ? 0.6344 0.6599 0.3984 0.0403 0.1567 -0.0607 503 FUC A C2 3072 C C3 . FUC D . ? 0.6012 0.6233 0.3729 0.0361 0.1465 -0.0607 503 FUC A C3 3073 C C4 . FUC D . ? 0.5867 0.6069 0.3764 0.0338 0.1473 -0.0620 503 FUC A C4 3074 C C5 . FUC D . ? 0.5963 0.6181 0.3962 0.0339 0.1549 -0.0550 503 FUC A C5 3075 C C6 . FUC D . ? 0.5790 0.5993 0.3969 0.0322 0.1561 -0.0564 503 FUC A C6 3076 O O2 . FUC D . ? 0.6596 0.6869 0.4082 0.0420 0.1558 -0.0567 503 FUC A O2 3077 O O3 . FUC D . ? 0.6284 0.6496 0.3908 0.0368 0.1406 -0.0688 503 FUC A O3 3078 O O4 . FUC D . ? 0.6529 0.6724 0.4438 0.0357 0.1493 -0.0723 503 FUC A O4 3079 O O5 . FUC D . ? 0.6136 0.6386 0.4065 0.0379 0.1642 -0.0566 503 FUC A O5 3080 C C1 . NAG E . ? 0.3319 0.3560 0.3264 0.0466 -0.1141 0.0469 504 NAG A C1 3081 C C2 . NAG E . ? 0.3700 0.3936 0.3509 0.0489 -0.1143 0.0531 504 NAG A C2 3082 C C3 . NAG E . ? 0.4093 0.4348 0.3829 0.0540 -0.1264 0.0535 504 NAG A C3 3083 C C4 . NAG E . ? 0.4386 0.4664 0.4021 0.0558 -0.1329 0.0469 504 NAG A C4 3084 C C5 . NAG E . ? 0.4360 0.4638 0.4147 0.0528 -0.1316 0.0408 504 NAG A C5 3085 C C6 . NAG E . ? 0.4220 0.4518 0.3902 0.0542 -0.1367 0.0341 504 NAG A C6 3086 C C7 . NAG E . ? 0.3643 0.3839 0.3520 0.0450 -0.0994 0.0618 504 NAG A C7 3087 C C8 . NAG E . ? 0.3781 0.3954 0.3799 0.0439 -0.0949 0.0664 504 NAG A C8 3088 N N2 . NAG E . ? 0.3424 0.3638 0.3353 0.0474 -0.1090 0.0583 504 NAG A N2 3089 O O3 . NAG E . ? 0.4558 0.4810 0.4144 0.0561 -0.1256 0.0597 504 NAG A O3 3090 O O4 . NAG E . ? 0.5213 0.5510 0.4821 0.0606 -0.1451 0.0460 504 NAG A O4 3091 O O5 . NAG E . ? 0.4040 0.4300 0.3871 0.0482 -0.1197 0.0418 504 NAG A O5 3092 O O6 . NAG E . ? 0.4112 0.4407 0.3942 0.0514 -0.1352 0.0291 504 NAG A O6 3093 O O7 . NAG E . ? 0.3583 0.3780 0.3311 0.0439 -0.0943 0.0611 504 NAG A O7 3094 C C1 . FUC F . ? 0.4203 0.4507 0.4197 0.0532 -0.1452 0.0260 505 FUC A C1 3095 C C2 . FUC F . ? 0.4003 0.4309 0.4126 0.0507 -0.1451 0.0200 505 FUC A C2 3096 C C3 . FUC F . ? 0.3490 0.3778 0.3751 0.0458 -0.1336 0.0223 505 FUC A C3 3097 C C4 . FUC F . ? 0.3449 0.3730 0.3872 0.0456 -0.1330 0.0269 505 FUC A C4 3098 C C5 . FUC F . ? 0.3586 0.3864 0.3878 0.0482 -0.1341 0.0322 505 FUC A C5 3099 C C6 . FUC F . ? 0.3453 0.3724 0.3915 0.0484 -0.1346 0.0366 505 FUC A C6 3100 O O2 . FUC F . ? 0.4051 0.4364 0.4018 0.0512 -0.1452 0.0156 505 FUC A O2 3101 O O3 . FUC F . ? 0.3486 0.3776 0.3880 0.0437 -0.1337 0.0176 505 FUC A O3 3102 O O4 . FUC F . ? 0.3281 0.3575 0.3879 0.0473 -0.1427 0.0240 505 FUC A O4 3103 O O5 . FUC F . ? 0.3743 0.4037 0.3900 0.0527 -0.1448 0.0303 505 FUC A O5 3104 C C1 . NAG G . ? 0.6437 0.6749 0.5807 0.0640 -0.1474 0.0478 506 NAG A C1 3105 C C2 . NAG G . ? 0.6805 0.7142 0.6120 0.0688 -0.1605 0.0426 506 NAG A C2 3106 C C3 . NAG G . ? 0.7313 0.7671 0.6376 0.0732 -0.1638 0.0446 506 NAG A C3 3107 C C4 . NAG G . ? 0.7246 0.7594 0.6240 0.0741 -0.1598 0.0543 506 NAG A C4 3108 C C5 . NAG G . ? 0.7472 0.7791 0.6545 0.0687 -0.1467 0.0584 506 NAG A C5 3109 C C6 . NAG G . ? 0.7856 0.8161 0.6890 0.0695 -0.1431 0.0680 506 NAG A C6 3110 C C7 . NAG G . ? 0.7298 0.7646 0.6842 0.0674 -0.1690 0.0295 506 NAG A C7 3111 C C8 . NAG G . ? 0.7222 0.7578 0.6795 0.0663 -0.1709 0.0212 506 NAG A C8 3112 N N2 . NAG G . ? 0.7581 0.7926 0.6945 0.0672 -0.1617 0.0344 506 NAG A N2 3113 O O3 . NAG G . ? 0.7343 0.7724 0.6371 0.0782 -0.1770 0.0405 506 NAG A O3 3114 O O4 . NAG G . ? 0.7737 0.8106 0.6488 0.0776 -0.1605 0.0562 506 NAG A O4 3115 O O5 . NAG G . ? 0.7162 0.7465 0.6468 0.0654 -0.1453 0.0559 506 NAG A O5 3116 O O6 . NAG G . ? 0.7677 0.7974 0.6852 0.0714 -0.1501 0.0709 506 NAG A O6 3117 O O7 . NAG G . ? 0.7606 0.7950 0.7296 0.0683 -0.1739 0.0318 506 NAG A O7 3118 CA CA . CA H . ? 0.3226 0.3686 0.5667 0.0035 0.1100 0.0624 507 CA A CA 3119 CA CA . CA I . ? 0.5281 0.5281 0.3449 0.0000 0.0000 0.0000 508 CA A CA 3120 C C1 . ZMR J . ? 0.2858 0.3150 0.3325 0.0058 0.1238 0.0380 509 ZMR A C1 3121 O O1A . ZMR J . ? 0.2568 0.2882 0.3238 0.0057 0.1252 0.0415 509 ZMR A O1A 3122 O O1B . ZMR J . ? 0.2611 0.2898 0.2948 0.0048 0.1218 0.0396 509 ZMR A O1B 3123 C C2 . ZMR J . ? 0.2823 0.3087 0.3280 0.0055 0.1159 0.0345 509 ZMR A C2 3124 C C3 . ZMR J . ? 0.1910 0.2150 0.2172 0.0051 0.1123 0.0309 509 ZMR A C3 3125 C C4 . ZMR J . ? 0.2116 0.2331 0.2377 0.0052 0.1071 0.0274 509 ZMR A C4 3126 C C5 . ZMR J . ? 0.2246 0.2463 0.2679 0.0063 0.1084 0.0267 509 ZMR A C5 3127 N N5 . ZMR J . ? 0.1994 0.2188 0.2453 0.0062 0.1019 0.0250 509 ZMR A N5 3128 C C10 . ZMR J . ? 0.2157 0.2330 0.2546 0.0069 0.1034 0.0207 509 ZMR A C10 3129 O O10 . ZMR J . ? 0.2022 0.2198 0.2329 0.0076 0.1102 0.0175 509 ZMR A O10 3130 C C11 . ZMR J . ? 0.1878 0.2026 0.2302 0.0066 0.0961 0.0202 509 ZMR A C11 3131 C C6 . ZMR J . ? 0.2012 0.2257 0.2633 0.0067 0.1119 0.0303 509 ZMR A C6 3132 O O6 . ZMR J . ? 0.2091 0.2359 0.2713 0.0062 0.1157 0.0338 509 ZMR A O6 3133 C C7 . ZMR J . ? 0.2262 0.2516 0.3042 0.0081 0.1163 0.0292 509 ZMR A C7 3134 O O7 . ZMR J . ? 0.2284 0.2547 0.3002 0.0095 0.1255 0.0263 509 ZMR A O7 3135 C C8 . ZMR J . ? 0.2259 0.2538 0.3245 0.0080 0.1159 0.0333 509 ZMR A C8 3136 O O8 . ZMR J . ? 0.2249 0.2520 0.3271 0.0068 0.1062 0.0357 509 ZMR A O8 3137 C C9 . ZMR J . ? 0.2334 0.2623 0.3499 0.0095 0.1189 0.0324 509 ZMR A C9 3138 O O9 . ZMR J . ? 0.2318 0.2582 0.3516 0.0097 0.1119 0.0306 509 ZMR A O9 3139 N NE . ZMR J . ? 0.1919 0.2114 0.2006 0.0051 0.1063 0.0236 509 ZMR A NE 3140 C CZ . ZMR J . ? 0.1892 0.2062 0.1931 0.0044 0.0986 0.0218 509 ZMR A CZ 3141 N NH1 . ZMR J . ? 0.1770 0.1933 0.1895 0.0038 0.0913 0.0240 509 ZMR A NH1 3142 N NH2 . ZMR J . ? 0.1989 0.2142 0.1897 0.0044 0.0992 0.0179 509 ZMR A NH2 3143 O O . HOH K . ? 0.1925 0.1942 0.1488 0.0022 0.0857 -0.0014 601 HOH A O 3144 O O . HOH K . ? 0.1340 0.1510 0.1379 0.0014 0.0152 0.0314 602 HOH A O 3145 O O . HOH K . ? 0.1677 0.1831 0.0717 -0.0037 0.0393 0.0287 603 HOH A O 3146 O O . HOH K . ? 0.1662 0.1847 0.2127 0.0039 0.0077 0.0339 604 HOH A O 3147 O O . HOH K . ? 0.2061 0.2115 0.1069 -0.0038 0.0345 0.0277 605 HOH A O 3148 O O . HOH K . ? 0.1664 0.1811 0.0540 -0.0026 0.0346 0.0306 606 HOH A O 3149 O O . HOH K . ? 0.2488 0.2633 0.0820 0.0046 0.0526 0.0165 607 HOH A O 3150 O O . HOH K . ? 0.1802 0.1925 0.0637 -0.0075 0.0287 0.0000 608 HOH A O 3151 O O . HOH K . ? 0.1660 0.1833 0.1519 0.0065 -0.0367 0.0098 609 HOH A O 3152 O O . HOH K . ? 0.1778 0.1938 0.0938 -0.0026 0.0655 0.0294 610 HOH A O 3153 O O . HOH K . ? 0.2306 0.2494 0.1240 0.0002 0.0064 0.0130 611 HOH A O 3154 O O . HOH K . ? 0.2255 0.2434 0.1724 0.0094 -0.0181 0.0245 612 HOH A O 3155 O O . HOH K . ? 0.1896 0.2186 0.2935 -0.0031 0.0783 0.0592 613 HOH A O 3156 O O . HOH K . ? 0.1703 0.1887 0.1330 0.0081 -0.0212 0.0210 614 HOH A O 3157 O O . HOH K . ? 0.1914 0.1881 0.1606 -0.0002 0.0555 0.0182 615 HOH A O 3158 O O . HOH K . ? 0.1808 0.1940 0.1608 0.0002 0.0590 0.0270 616 HOH A O 3159 O O . HOH K . ? 0.2774 0.2929 0.1806 -0.0024 0.0615 0.0307 617 HOH A O 3160 O O . HOH K . ? 0.2410 0.2590 0.1345 0.0001 0.0793 0.0547 618 HOH A O 3161 O O . HOH K . ? 0.1933 0.2082 0.0865 -0.0030 0.0217 0.0119 619 HOH A O 3162 O O . HOH K . ? 0.1675 0.1854 0.2678 0.0068 0.0366 0.0384 620 HOH A O 3163 O O . HOH K . ? 0.2543 0.2801 0.1275 0.0137 -0.0191 0.0158 621 HOH A O 3164 O O . HOH K . ? 0.2437 0.2626 0.1553 0.0047 0.1103 0.0187 622 HOH A O 3165 O O . HOH K . ? 0.1849 0.2248 0.4257 0.0023 0.0746 0.0577 623 HOH A O 3166 O O . HOH K . ? 0.2495 0.2752 0.2293 -0.0024 0.1077 0.0802 624 HOH A O 3167 O O . HOH K . ? 0.2154 0.2208 0.1085 -0.0014 0.0744 -0.0025 625 HOH A O 3168 O O . HOH K . ? 0.1914 0.2084 0.2467 0.0106 -0.0118 0.0362 626 HOH A O 3169 O O . HOH K . ? 0.2866 0.2866 0.1445 0.0000 0.0000 0.0000 627 HOH A O 3170 O O . HOH K . ? 0.1701 0.1889 0.1826 -0.0007 0.0604 0.0369 628 HOH A O 3171 O O . HOH K . ? 0.1687 0.1959 0.3059 0.0017 0.0503 0.0465 629 HOH A O 3172 O O . HOH K . ? 0.2317 0.2518 0.1985 0.0051 0.1134 0.0212 630 HOH A O 3173 O O . HOH K . ? 0.1683 0.1966 0.3136 -0.0038 0.0498 0.0566 631 HOH A O 3174 O O . HOH K . ? 0.1970 0.1980 0.1110 -0.0015 0.0774 -0.0079 632 HOH A O 3175 O O . HOH K . ? 0.1954 0.2129 0.3072 0.0077 0.0513 0.0370 633 HOH A O 3176 O O . HOH K . ? 0.2356 0.2422 0.1399 -0.0024 0.0328 0.0257 634 HOH A O 3177 O O . HOH K . ? 0.1898 0.1898 0.0570 0.0000 0.0000 0.0000 635 HOH A O 3178 O O . HOH K . ? 0.2354 0.2528 0.1135 0.0074 0.0018 0.0337 636 HOH A O 3179 O O . HOH K . ? 0.2264 0.2370 0.1784 0.0163 -0.0179 0.0502 637 HOH A O 3180 O O . HOH K . ? 0.2329 0.2477 0.1657 0.0210 -0.0319 0.0498 638 HOH A O 3181 O O . HOH K . ? 0.2495 0.2997 0.4929 0.0025 0.1284 0.0704 639 HOH A O 3182 O O . HOH K . ? 0.2138 0.2145 0.3147 0.0125 0.0904 0.0114 640 HOH A O 3183 O O . HOH K . ? 0.3170 0.3395 0.2311 0.0130 -0.0371 0.0076 641 HOH A O 3184 O O . HOH K . ? 0.2042 0.2214 0.1359 -0.0039 0.0641 0.0527 642 HOH A O 3185 O O . HOH K . ? 0.1937 0.2037 0.1008 0.0033 0.0153 0.0348 643 HOH A O 3186 O O . HOH K . ? 0.2798 0.2916 0.1360 -0.0027 0.0403 -0.0015 644 HOH A O 3187 O O . HOH K . ? 0.2145 0.2178 0.1044 -0.0037 0.0654 -0.0050 645 HOH A O 3188 O O . HOH K . ? 0.1964 0.2206 0.3297 0.0032 -0.0026 0.0380 646 HOH A O 3189 O O . HOH K . ? 0.2071 0.2213 0.1030 0.0013 0.0152 0.0240 647 HOH A O 3190 O O . HOH K . ? 0.2799 0.2924 0.1743 0.0009 0.0185 0.0269 648 HOH A O 3191 O O . HOH K . ? 0.2675 0.2660 0.2500 0.0057 0.0971 -0.0105 649 HOH A O 3192 O O . HOH K . ? 0.2099 0.2467 0.5409 0.0181 -0.0136 0.0485 650 HOH A O 3193 O O . HOH K . ? 0.1890 0.2007 0.3126 -0.0080 0.0022 0.0547 651 HOH A O 3194 O O . HOH K . ? 0.1919 0.2239 0.3427 -0.0037 0.0739 0.0631 652 HOH A O 3195 O O . HOH K . ? 0.2153 0.2329 0.1083 -0.0011 0.0091 0.0148 653 HOH A O 3196 O O . HOH K . ? 0.2427 0.2647 0.1778 0.0267 -0.0591 0.0332 654 HOH A O 3197 O O . HOH K . ? 0.2888 0.2928 0.3020 0.0108 0.1144 -0.0107 655 HOH A O 3198 O O . HOH K . ? 0.1616 0.1939 0.3615 -0.0032 0.0441 0.0579 656 HOH A O 3199 O O . HOH K . ? 0.1893 0.2078 0.2813 0.0060 0.0681 0.0343 657 HOH A O 3200 O O . HOH K . ? 0.3044 0.3380 0.3150 0.0016 0.1333 0.0690 658 HOH A O 3201 O O . HOH K . ? 0.1587 0.2004 0.4544 -0.0024 0.0469 0.0634 659 HOH A O 3202 O O . HOH K . ? 0.2389 0.2488 0.1341 0.0064 0.1071 -0.0125 660 HOH A O 3203 O O . HOH K . ? 0.2430 0.2625 0.1455 0.0046 -0.0137 0.0106 661 HOH A O 3204 O O . HOH K . ? 0.2439 0.2659 0.1818 0.0065 0.1220 0.0205 662 HOH A O 3205 O O . HOH K . ? 0.1845 0.2373 0.6015 -0.0016 0.0355 0.0665 663 HOH A O 3206 O O . HOH K . ? 0.2867 0.3001 0.3169 0.0343 -0.0703 0.0629 664 HOH A O 3207 O O . HOH K . ? 0.2897 0.3001 0.1819 -0.0018 0.0266 0.0240 665 HOH A O 3208 O O . HOH K . ? 0.1956 0.2327 0.3766 -0.0042 0.0908 0.0720 666 HOH A O 3209 O O . HOH K . ? 0.2193 0.2326 0.3798 -0.0108 0.0155 0.0686 667 HOH A O 3210 O O . HOH K . ? 0.2150 0.2581 0.5874 0.0096 -0.0386 0.0426 668 HOH A O 3211 O O . HOH K . ? 0.2613 0.2754 0.1534 -0.0005 0.0689 0.0263 669 HOH A O 3212 O O . HOH K . ? 0.2982 0.3253 0.2657 0.0074 0.1333 0.0301 670 HOH A O 3213 O O . HOH K . ? 0.2747 0.3011 0.3308 0.0354 -0.1110 0.0219 671 HOH A O 3214 O O . HOH K . ? 0.2801 0.2962 0.1673 -0.0072 0.0223 0.0018 672 HOH A O 3215 O O . HOH K . ? 0.2449 0.2666 0.3831 0.0148 0.1203 0.0184 673 HOH A O 3216 O O . HOH K . ? 0.2125 0.2338 0.3021 0.0061 0.0877 0.0327 674 HOH A O 3217 O O . HOH K . ? 0.3777 0.4027 0.2579 0.0159 0.1464 0.0141 675 HOH A O 3218 O O . HOH K . ? 0.2505 0.2705 0.2363 0.0169 -0.0455 0.0249 676 HOH A O 3219 O O . HOH K . ? 0.2490 0.2711 0.1854 0.0149 -0.0448 0.0096 677 HOH A O 3220 O O . HOH K . ? 0.3475 0.3504 0.3285 0.0090 0.1110 -0.0149 678 HOH A O 3221 O O . HOH K . ? 0.4368 0.4757 0.3307 0.0190 0.1784 0.0551 679 HOH A O 3222 O O . HOH K . ? 0.3251 0.3462 0.2935 0.0378 -0.0849 0.0483 680 HOH A O 3223 O O . HOH K . ? 0.3313 0.3397 0.1643 0.0046 0.0748 -0.0188 681 HOH A O 3224 O O . HOH K . ? 0.3479 0.3609 0.3204 0.0391 -0.0720 0.0757 682 HOH A O 3225 O O . HOH K . ? 0.4437 0.4623 0.2383 0.0202 0.1155 -0.0050 683 HOH A O 3226 O O . HOH K . ? 0.2170 0.2621 0.5669 -0.0027 0.0333 0.0637 684 HOH A O 3227 O O . HOH K . ? 0.3170 0.3482 0.2850 0.0077 0.1425 0.0410 685 HOH A O 3228 O O . HOH K . ? 0.3285 0.3644 0.3327 0.0050 0.1462 0.0620 686 HOH A O 3229 O O . HOH K . ? 0.2926 0.3061 0.1701 0.0018 0.0756 0.0228 687 HOH A O 3230 O O . HOH K . ? 0.2367 0.2893 0.5704 -0.0100 0.1134 0.1033 688 HOH A O 3231 O O . HOH K . ? 0.3375 0.3613 0.2213 0.0065 -0.0047 0.0120 689 HOH A O 3232 O O . HOH K . ? 0.3137 0.3317 0.2051 -0.0027 0.0160 0.0096 690 HOH A O 3233 O O . HOH K . ? 0.2882 0.3222 0.2986 0.0057 0.1415 0.0510 691 HOH A O 3234 O O . HOH K . ? 0.2269 0.2114 0.2997 0.0099 0.0398 0.0433 692 HOH A O 3235 O O . HOH K . ? 0.3187 0.3571 0.6513 0.0181 0.0694 0.0457 693 HOH A O 3236 O O . HOH K . ? 0.2692 0.2863 0.4822 -0.0144 0.0379 0.0900 694 HOH A O 3237 O O . HOH K . ? 0.3171 0.3118 0.4333 0.0177 0.0155 0.0545 695 HOH A O 3238 O O . HOH K . ? 0.2929 0.3069 0.1567 -0.0045 0.0310 -0.0014 696 HOH A O 3239 O O . HOH K . ? 0.3934 0.3805 0.4903 0.0169 0.1144 -0.0259 697 HOH A O 3240 O O . HOH K . ? 0.3851 0.4156 0.2697 0.0105 0.1423 0.0949 698 HOH A O 3241 O O . HOH K . ? 0.3070 0.3250 0.2839 0.0110 -0.0246 0.0265 699 HOH A O 3242 O O . HOH K . ? 0.3648 0.3939 0.3500 0.0133 0.1524 0.0176 700 HOH A O 3243 O O . HOH K . ? 0.3598 0.3805 0.2297 0.0235 -0.0266 0.0558 701 HOH A O 3244 O O . HOH K . ? 0.3001 0.3268 0.4772 0.0137 -0.0767 0.0172 702 HOH A O 3245 O O . HOH K . ? 0.3563 0.3733 0.1786 0.0045 0.0377 0.0082 703 HOH A O 3246 O O . HOH K . ? 0.2926 0.3170 0.3284 0.0362 -0.1024 0.0317 704 HOH A O 3247 O O . HOH K . ? 0.4637 0.4888 0.3583 0.0208 0.1595 -0.0125 705 HOH A O 3248 O O . HOH K . ? 0.3482 0.3861 0.6833 0.0234 -0.0721 0.0407 706 HOH A O 3249 O O . HOH K . ? 0.2707 0.3124 0.3945 0.0029 0.1384 0.0658 707 HOH A O 3250 O O . HOH K . ? 0.3859 0.3800 0.5451 0.0194 0.0266 0.0501 708 HOH A O 3251 O O . HOH K . ? 0.4795 0.4956 0.2942 0.0047 0.0426 -0.0024 709 HOH A O 3252 O O . HOH K . ? 0.2304 0.2141 0.2755 0.0048 0.0683 0.0128 710 HOH A O 3253 O O . HOH K . ? 0.3695 0.3701 0.4497 0.0185 0.1288 -0.0220 711 HOH A O 3254 O O . HOH K . ? 0.3325 0.3579 0.2833 -0.0007 0.1143 0.0912 712 HOH A O 3255 O O . HOH K . ? 0.3182 0.3406 0.5646 0.0032 -0.0743 0.0159 713 HOH A O 3256 O O . HOH K . ? 0.4436 0.4879 0.4565 0.0087 0.1748 0.0735 714 HOH A O 3257 O O . HOH K . ? 0.3377 0.4119 0.8118 -0.0102 0.1456 0.1201 715 HOH A O 3258 O O . HOH K . ? 0.3005 0.3178 0.2909 0.0136 0.1372 -0.0040 716 HOH A O 3259 O O . HOH K . ? 0.4462 0.5155 0.7663 -0.0027 0.1828 0.1166 717 HOH A O 3260 O O . HOH K . ? 0.2682 0.3244 0.8414 -0.0098 -0.0141 0.0658 718 HOH A O 3261 O O . HOH K . ? 0.4246 0.4553 0.3196 0.0430 -0.0954 0.0244 719 HOH A O 3262 O O . HOH K . ? 0.2334 0.2522 0.2843 0.0043 0.0858 0.0302 720 HOH A O 3263 O O . HOH K . ? 0.3129 0.3386 0.3039 0.0417 -0.1092 0.0330 721 HOH A O 3264 O O . HOH K . ? 0.2298 0.2445 0.3908 -0.0124 0.0355 0.0833 722 HOH A O 3265 O O . HOH K . ? 0.4355 0.4682 0.3511 0.0489 -0.1195 0.0144 723 HOH A O 3266 O O . HOH K . ? 0.4144 0.4459 0.7778 0.0101 -0.1226 0.0023 724 HOH A O 3267 O O . HOH K . ? 0.3865 0.4367 0.3852 0.0122 0.1961 0.0843 725 HOH A O 3268 O O . HOH K . ? 0.3346 0.3449 0.3840 -0.0089 0.0467 0.0872 726 HOH A O 3269 O O . HOH K . ? 0.3578 0.3683 0.2511 0.0096 0.0065 0.0579 727 HOH A O 3270 O O . HOH K . ? 0.2362 0.2918 0.6226 -0.0094 0.0965 0.0958 728 HOH A O 3271 O O . HOH K . ? 0.3576 0.3823 0.3449 0.0147 0.1497 0.0053 729 HOH A O 3272 O O . HOH K . ? 0.3334 0.4089 0.8300 -0.0073 0.1307 0.1071 730 HOH A O 3273 O O . HOH K . ? 0.3369 0.3570 0.2921 0.0128 -0.0356 0.0185 731 HOH A O 3274 O O . HOH K . ? 0.5525 0.5862 0.4946 0.0524 -0.1389 0.0064 732 HOH A O 3275 O O . HOH K . ? 0.4134 0.4674 0.5672 -0.0011 0.1833 0.1227 733 HOH A O 3276 O O . HOH K . ? 0.3212 0.3534 0.5576 -0.0142 0.0896 0.1107 734 HOH A O 3277 O O . HOH K . ? 0.4271 0.4523 0.4554 0.0137 0.1450 0.0113 735 HOH A O 3278 O O . HOH K . ? 0.3867 0.4123 0.3082 0.0017 0.1203 0.0975 736 HOH A O 3279 O O . HOH K . ? 0.3651 0.3812 0.6023 0.0205 0.0260 0.0467 737 HOH A O 3280 O O . HOH K . ? 0.3490 0.3652 0.2586 0.0098 0.1241 -0.0048 738 HOH A O 3281 O O . HOH K . ? 0.3365 0.3548 0.3868 0.0151 -0.0841 -0.0101 739 HOH A O 3282 O O . HOH K . ? 0.5390 0.5670 0.3283 0.0244 0.1339 0.0537 740 HOH A O 3283 O O . HOH K . ? 0.3393 0.3562 0.2311 -0.0035 0.0182 0.0085 741 HOH A O 3284 O O . HOH K . ? 0.4724 0.4925 0.2678 0.0280 0.1397 -0.0374 742 HOH A O 3285 O O . HOH K . ? 0.7533 0.7921 0.4879 0.0461 0.1817 -0.0031 743 HOH A O 3286 O O . HOH K . ? 0.6573 0.6839 0.6358 -0.0014 0.1266 0.1178 744 HOH A O 3287 O O . HOH K . ? 0.4847 0.5125 0.5389 0.0579 -0.1557 0.0463 745 HOH A O 3288 O O . HOH K . ? 0.5068 0.5279 0.2840 0.0258 0.1261 -0.0153 746 HOH A O 3289 O O . HOH K . ? 0.3514 0.3411 0.4589 0.0154 0.0270 0.0508 747 HOH A O 3290 O O . HOH K . ? 0.3990 0.4212 0.6160 0.0087 -0.0922 0.0044 748 HOH A O 3291 O O . HOH K . ? 0.3413 0.3761 0.6590 0.0241 -0.0585 0.0452 749 HOH A O 3292 O O . HOH K . ? 0.4240 0.4411 0.2171 0.0098 0.0515 -0.0017 750 HOH A O 3293 O O . HOH K . ? 0.4682 0.5080 0.3909 0.0109 0.1713 0.0942 751 HOH A O 3294 O O . HOH K . ? 0.3740 0.3818 0.3150 0.0268 -0.0328 0.0784 752 HOH A O 3295 O O . HOH K . ? 0.3568 0.3775 0.2492 0.0003 0.0057 0.0090 753 HOH A O 3296 O O . HOH K . ? 0.4168 0.4469 0.2831 0.0289 -0.0580 0.0155 754 HOH A O 3297 O O . HOH K . ? 0.5810 0.5887 0.7897 0.0093 -0.1148 -0.0198 755 HOH A O 3298 O O . HOH K . ? 0.4255 0.4650 0.4569 0.0085 0.1593 0.0534 756 HOH A O 3299 O O . HOH K . ? 0.3113 0.3266 0.4095 0.0131 -0.0928 -0.0132 757 HOH A O 3300 O O . HOH K . ? 0.7896 0.8357 0.4466 0.0697 0.1922 -0.0666 758 HOH A O 3301 O O . HOH K . ? 0.6071 0.6323 0.3570 0.0280 0.1160 0.0200 759 HOH A O 3302 O O . HOH K . ? 0.2922 0.3103 0.3778 0.0110 -0.0756 -0.0003 760 HOH A O 3303 O O . HOH K . ? 0.4699 0.5039 0.7682 -0.0173 0.0890 0.1205 761 HOH A O 3304 O O . HOH K . ? 0.3906 0.3781 0.5347 0.0156 0.0771 0.0160 762 HOH A O 3305 O O . HOH K . ? 0.4371 0.4482 0.3271 -0.0053 0.0282 0.0134 763 HOH A O 3306 O O . HOH K . ? 0.4203 0.4342 0.2511 0.0176 0.1226 -0.0287 764 HOH A O 3307 O O . HOH K . ? 0.7837 0.8068 0.5740 0.0435 0.1667 -0.0852 765 HOH A O 3308 O O . HOH K . ? 0.4059 0.4374 0.3613 0.0506 -0.1327 0.0183 766 HOH A O 3309 O O . HOH K . ? 0.3449 0.3484 0.5718 0.0015 -0.0903 0.0015 767 HOH A O 3310 O O . HOH K . ? 0.3015 0.3156 0.2928 0.0347 -0.0682 0.0640 768 HOH A O 3311 O O . HOH K . ? 0.3518 0.3717 0.6304 0.0014 -0.0829 0.0130 769 HOH A O 3312 O O . HOH K . ? 0.2671 0.3159 0.5943 0.0108 0.0950 0.0542 770 HOH A O 3313 O O . HOH K . ? 0.4058 0.4350 0.6103 0.0197 -0.1055 0.0094 771 HOH A O 3314 O O . HOH K . ? 0.3450 0.3571 0.3866 0.0398 -0.0812 0.0725 772 HOH A O 3315 O O . HOH K . ? 0.2190 0.2590 0.5649 0.0062 -0.0360 0.0414 773 HOH A O 3316 O O . HOH K . ? 0.7036 0.7249 0.4540 0.0237 0.0925 0.0017 774 HOH A O 3317 O O . HOH K . ? 0.5449 0.5343 0.6177 0.0155 0.0135 0.0609 775 HOH A O 3318 O O . HOH K . ? 0.5552 0.5741 0.3370 0.0255 0.1247 -0.0311 776 HOH A O 3319 O O . HOH K . ? 0.3593 0.3676 0.5930 0.0228 0.0272 0.0479 777 HOH A O 3320 O O . HOH K . ? 0.3314 0.3543 0.5332 0.0397 -0.1022 0.0555 778 HOH A O 3321 O O . HOH K . ? 0.5118 0.5324 0.5608 0.0224 -0.1076 -0.0236 779 HOH A O 3322 O O . HOH K . ? 0.3927 0.4152 0.6512 0.0196 0.0218 0.0474 780 HOH A O 3323 O O . HOH K . ? 0.3869 0.4081 0.7270 -0.0172 0.0122 0.0829 781 HOH A O 3324 O O . HOH K . ? 0.2824 0.3440 0.7185 0.0128 0.0945 0.0602 782 HOH A O 3325 O O . HOH K . ? 0.3221 0.3453 0.4943 0.0141 -0.0991 -0.0006 783 HOH A O 3326 O O . HOH K . ? 0.4224 0.4456 0.6887 -0.0167 0.0535 0.1025 784 HOH A O 3327 O O . HOH K . ? 0.3926 0.4039 0.3964 0.0422 -0.0805 0.0809 785 HOH A O 3328 O O . HOH K . ? 0.3960 0.4088 0.2356 0.0048 0.0669 0.0133 786 HOH A O 3329 O O . HOH K . ? 0.3428 0.3685 0.6447 0.0066 -0.1008 0.0068 787 HOH A O 3330 O O . HOH K . ? 0.5032 0.5345 0.9983 -0.0125 -0.0573 0.0466 788 HOH A O 3331 O O . HOH K . ? 0.4444 0.4757 0.5277 0.0460 -0.1532 0.0100 789 HOH A O 3332 O O . HOH K . ? 0.4652 0.4887 0.3121 0.0122 0.1153 0.1111 790 HOH A O 3333 O O . HOH K . ? 0.4098 0.4259 0.5014 0.0193 0.1427 -0.0063 791 HOH A O 3334 O O . HOH K . ? 0.3551 0.3799 0.4232 0.0159 0.1463 0.0085 792 HOH A O 3335 O O . HOH K . ? 0.4691 0.4870 0.7093 0.0107 -0.1181 -0.0126 793 HOH A O 3336 O O . HOH K . ? 0.3722 0.3982 0.6186 0.0304 -0.0722 0.0499 794 HOH A O 3337 O O . HOH K . ? 0.4815 0.5146 0.3309 0.0439 -0.0797 0.0352 795 HOH A O 3338 O O . HOH K . ? 0.3446 0.3671 0.4549 0.0116 0.1159 0.0226 796 HOH A O 3339 O O . HOH K . ? 0.5051 0.5593 0.5459 0.0097 0.2029 0.1005 797 HOH A O 3340 O O . HOH K . ? 0.3399 0.3627 0.3239 0.0237 -0.0687 0.0199 798 HOH A O 3341 O O . HOH K . ? 0.4164 0.4514 0.7126 0.0222 -0.1310 0.0056 799 HOH A O 3342 O O . HOH K . ? 0.5964 0.6042 0.5225 0.0139 0.1283 -0.0329 800 HOH A O 3343 O O . HOH K . ? 0.3577 0.4189 0.8150 -0.0182 0.1302 0.1370 801 HOH A O 3344 O O . HOH K . ? 0.6570 0.6702 0.5478 -0.0027 0.0231 0.0166 802 HOH A O 3345 O O . HOH K . ? 0.4295 0.4248 0.6329 0.0231 0.0264 0.0511 803 HOH A O 3346 O O . HOH K . ? 0.6621 0.6838 0.4341 0.0200 0.0855 0.0416 804 HOH A O 3347 O O . HOH K . ? 0.2711 0.3319 0.7737 0.0064 0.0123 0.0599 805 HOH A O 3348 O O . HOH K . ? 0.3549 0.3575 0.5825 0.0268 0.0027 0.0588 806 HOH A O 3349 O O . HOH K . ? 0.4741 0.4766 0.5150 0.0160 0.1277 -0.0221 807 HOH A O 3350 O O . HOH K . ? 0.6166 0.6299 0.7048 0.0227 0.1510 -0.0194 808 HOH A O 3351 O O . HOH K . ? 0.4339 0.4443 0.2990 0.0112 0.1144 -0.0232 809 HOH A O 3352 O O . HOH K . ? 0.5441 0.5515 0.5038 0.0136 0.1285 -0.0259 810 HOH A O 3353 O O . HOH K . ? 0.3422 0.3815 0.6425 -0.0148 0.0909 0.1097 811 HOH A O 3354 O O . HOH K . ? 0.4413 0.4663 0.5440 0.0277 -0.1322 -0.0219 812 HOH A O 3355 O O . HOH K . ? 0.3141 0.3203 0.4305 -0.0092 0.0059 0.0656 813 HOH A O 3356 O O . HOH K . ? 0.4456 0.4949 0.7110 -0.0109 0.1423 0.1258 814 HOH A O 3357 O O . HOH K . ? 0.4928 0.5061 0.7562 0.0306 -0.0256 0.0613 815 HOH A O 3358 O O . HOH K . ? 0.7868 0.8285 0.6255 0.0880 -0.1733 0.0590 816 HOH A O 3359 O O . HOH K . ? 0.4412 0.5040 1.0688 -0.0136 0.0059 0.0787 817 HOH A O 3360 O O . HOH K . ? 0.2995 0.3566 0.8218 0.0101 -0.0555 0.0444 818 HOH A O 3361 O O . HOH K . ? 0.3832 0.4275 0.5705 0.0118 0.1480 0.0449 819 HOH A O 3362 O O . HOH K . ? 0.5495 0.5744 0.4685 0.0195 -0.0587 -0.0031 820 HOH A O 3363 O O . HOH K . ? 0.4593 0.4911 0.3529 0.0398 -0.0935 0.0094 821 HOH A O 3364 O O . HOH K . ? 0.4879 0.5027 0.3749 0.0132 0.1291 -0.0175 822 HOH A O 3365 O O . HOH K . ? 0.3482 0.3776 0.3093 0.0006 0.1276 0.0881 823 HOH A O 3366 O O . HOH K . ? 0.3609 0.3888 0.3609 0.0084 0.1359 0.0287 824 HOH A O 3367 O O . HOH K . ? 0.3723 0.4042 0.6715 0.0237 0.1154 0.0277 825 HOH A O 3368 O O . HOH K . ? 0.5635 0.5663 0.4624 0.0150 0.1224 -0.0547 826 HOH A O 3369 O O . HOH K . ? 0.6693 0.6897 0.4342 0.0165 0.0542 0.0086 827 HOH A O 3370 O O . HOH K . ? 0.3532 0.3433 0.4930 0.0168 0.0365 0.0452 828 HOH A O 3371 O O . HOH K . ? 0.5508 0.6077 0.8260 0.0121 0.1585 0.0571 829 HOH A O 3372 O O . HOH K . ? 0.5718 0.5761 0.5339 0.0300 -0.0381 0.0880 830 HOH A O 3373 O O . HOH K . ? 0.4533 0.4780 0.3066 0.0316 -0.0400 0.0611 831 HOH A O 3374 O O . HOH K . ? 0.5829 0.6028 0.3467 0.0238 0.1070 -0.0126 832 HOH A O 3375 O O . HOH K . ? 0.5121 0.5365 0.3815 0.0121 -0.0087 0.0267 833 HOH A O 3376 O O . HOH K . ? 0.5603 0.5769 0.3827 0.0236 0.1367 -0.0394 834 HOH A O 3377 O O . HOH K . ? 0.4905 0.4981 0.4038 0.0163 -0.0064 0.0707 835 HOH A O 3378 O O . HOH K . ? 0.4802 0.4859 0.6655 0.0229 0.1207 -0.0011 836 HOH A O 3379 O O . HOH K . ? 0.5409 0.5658 0.6224 0.0125 0.1321 0.0185 837 HOH A O 3380 O O . HOH K . ? 0.3022 0.3216 0.5128 0.0226 0.1271 0.0104 838 HOH A O 3381 O O . HOH K . ? 0.4172 0.4545 0.7540 -0.0161 0.0680 0.1022 839 HOH A O 3382 O O . HOH K . ? 0.4434 0.4654 0.6103 0.0450 -0.1173 0.0583 840 HOH A O 3383 O O . HOH K . ? 0.8106 0.8349 0.5181 0.0342 0.0973 -0.0426 841 HOH A O 3384 O O . HOH K . ? 0.4734 0.4849 0.3568 0.0061 0.0149 0.0568 842 HOH A O 3385 O O . HOH K . ? 0.5665 0.5868 0.3357 0.0222 0.1040 0.0022 843 HOH A O 3386 O O . HOH K . ? 0.5724 0.6013 0.8724 0.0332 -0.0763 0.0529 844 HOH A O 3387 O O . HOH K . ? 0.5494 0.5638 0.7693 0.0216 0.1071 0.0167 845 HOH A O 3388 O O . HOH K . ? 0.4550 0.4883 0.8782 0.0073 -0.1273 0.0029 846 HOH A O 3389 O O . HOH K . ? 0.4324 0.4693 0.7743 0.0167 -0.1175 0.0116 847 HOH A O 3390 O O . HOH K . ? 0.5749 0.6007 0.7246 0.0231 -0.1231 -0.0098 848 HOH A O 3391 O O . HOH K . ? 0.6322 0.7132 0.9853 0.0030 0.2104 0.1134 849 HOH A O 3392 O O . HOH K . ? 0.3482 0.3792 0.6997 0.0268 -0.0157 0.0534 850 HOH A O 3393 O O . HOH K . ? 0.3413 0.3697 0.4454 0.0406 -0.1307 0.0248 851 HOH A O 3394 O O . HOH K . ? 0.4225 0.4513 0.9138 -0.0164 -0.0387 0.0596 852 HOH A O 3395 O O . HOH K . ? 0.8425 0.8783 0.7256 0.0830 -0.1714 0.0677 853 HOH A O 3396 O O . HOH K . ? 0.6872 0.7020 0.5946 0.0339 -0.0479 0.0789 854 HOH A O 3397 O O . HOH K . ? 0.5280 0.5567 0.4006 0.0260 0.1717 -0.0124 855 HOH A O 3398 O O . HOH K . ? 0.4331 0.4532 0.3250 0.0029 -0.0047 0.0102 856 HOH A O 3399 O O . HOH K . ? 0.5401 0.5766 0.8580 0.0296 -0.0990 0.0382 857 HOH A O 3400 O O . HOH K . ? 0.4586 0.4916 0.4107 0.0483 -0.1355 -0.0026 858 HOH A O 3401 O O . HOH K . ? 0.3618 0.3962 0.9139 -0.0122 -0.0743 0.0407 859 HOH A O 3402 O O . HOH K . ? 0.4690 0.4820 0.7450 -0.0063 -0.0553 0.0315 860 HOH A O 3403 O O . HOH K . ? 0.2936 0.3610 0.7934 0.0041 0.0664 0.0710 861 HOH A O 3404 O O . HOH K . ? 0.4690 0.5017 0.9063 0.0009 -0.1031 0.0157 862 HOH A O 3405 O O . HOH K . ? 0.4522 0.5079 0.6984 -0.0069 0.1676 0.1275 863 HOH A O 3406 O O . HOH K . ? 0.4937 0.5281 0.4455 0.0040 0.1501 0.1029 864 HOH A O 3407 O O . HOH K . ? 0.3793 0.3916 0.6004 0.0298 -0.0352 0.0618 865 HOH A O 3408 O O . HOH K . ? 0.4866 0.4866 0.3228 0.0000 0.0000 0.0000 866 HOH A O 3409 O O . HOH K . ? 0.6496 0.6820 0.4857 0.0437 -0.0691 0.0491 867 HOH A O 3410 O O . HOH K . ? 0.4922 0.5196 0.3674 0.0112 -0.0112 0.0119 868 HOH A O 3411 O O . HOH K . ? 0.4791 0.4932 0.3238 -0.0015 0.0366 -0.0038 869 HOH A O 3412 O O . HOH K . ? 0.5734 0.5956 0.4640 0.0041 0.1103 0.1010 870 HOH A O 3413 O O . HOH K . ? 0.4364 0.4672 0.4429 0.0426 -0.1454 -0.0249 871 HOH A O 3414 O O . HOH K . ? 0.4061 0.4359 0.2676 0.0189 -0.0236 0.0163 872 HOH A O 3415 O O . HOH K . ? 0.3682 0.3689 0.4953 0.0299 -0.0362 0.0740 873 HOH A O 3416 O O . HOH K . ? 0.4155 0.4382 0.5582 -0.0123 0.0914 0.1184 874 HOH A O 3417 O O . HOH K . ? 0.4009 0.4245 0.3242 0.0188 -0.0502 0.0117 875 HOH A O 3418 O O . HOH K . ? 0.5465 0.5758 0.4429 0.0076 0.1385 0.1085 876 HOH A O 3419 O O . HOH K . ? 0.4332 0.4617 0.3575 0.0328 -0.0870 0.0059 877 HOH A O 3420 O O . HOH K . ? 0.3548 0.3765 0.5828 0.0288 -0.0549 0.0535 878 HOH A O 3421 O O . HOH K . ? 0.4943 0.5132 0.5920 0.0284 0.1712 -0.0275 879 HOH A O 3422 O O . HOH K . ? 0.4307 0.4562 0.3293 0.0220 -0.0505 0.0150 880 HOH A O 3423 O O . HOH K . ? 0.5600 0.6269 0.8273 0.0002 0.1905 0.1119 881 HOH A O 3424 O O . HOH K . ? 0.8507 0.8982 0.4767 0.0768 0.1858 -0.0864 882 HOH A O 3425 O O . HOH K . ? 0.4259 0.4531 0.8130 -0.0002 -0.0941 0.0162 883 HOH A O 3426 O O . HOH K . ? 0.4554 0.4814 0.6266 0.0215 0.1462 0.0084 884 HOH A O 3427 O O . HOH K . ? 0.3974 0.4109 0.4822 0.0141 -0.0949 -0.0186 885 HOH A O 3428 O O . HOH K . ? 0.4526 0.4727 0.3447 -0.0023 0.0121 0.0073 886 HOH A O 3429 O O . HOH K . ? 0.5536 0.5782 0.4282 0.0104 -0.0087 0.0196 887 HOH A O 3430 O O . HOH K . ? 0.4380 0.4630 0.3688 0.0462 -0.0993 0.0505 888 HOH A O 3431 O O . HOH K . ? 0.7005 0.7372 0.5774 0.0316 0.1942 -0.0081 889 HOH A O 3432 O O . HOH K . ? 0.6080 0.6356 0.4575 0.0209 -0.0172 0.0432 890 HOH A O 3433 O O . HOH K . ? 0.3728 0.4063 0.5384 -0.0111 0.1221 0.1268 891 HOH A O 3434 O O . HOH K . ? 0.5874 0.6311 0.6028 0.0038 0.1759 0.1172 892 HOH A O 3435 O O . HOH K . ? 0.5318 0.5558 0.6214 0.0202 0.1556 -0.0009 893 HOH A O 3436 O O . HOH K . ? 0.4538 0.4809 0.3465 0.0457 -0.0893 0.0505 894 HOH A O 3437 O O . HOH K . ? 0.5313 0.5557 0.7123 0.0198 -0.1243 -0.0126 895 HOH A O 3438 O O . HOH K . ? 0.4507 0.4967 0.5115 0.0055 0.1705 0.0812 896 HOH A O 3439 O O . HOH K . ? 0.4425 0.4295 0.5923 0.0188 0.1035 -0.0077 897 HOH A O 3440 O O . HOH K . ? 0.4726 0.4818 0.3651 -0.0041 0.0312 0.0178 898 HOH A O 3441 O O . HOH K . ? 0.4578 0.4472 0.5107 0.0170 0.0038 0.0702 899 HOH A O 3442 O O . HOH K . ? 0.4093 0.4495 0.9684 -0.0105 -0.0694 0.0426 900 HOH A O 3443 O O . HOH K . ? 0.5286 0.5529 0.3782 0.0231 -0.0217 0.0544 901 HOH A O 3444 O O . HOH K . ? 0.3216 0.3424 0.4400 -0.0111 0.0762 0.1008 902 HOH A O 3445 O O . HOH K . ? 0.4338 0.4621 0.6683 0.0250 0.1446 0.0107 903 HOH A O 3446 O O . HOH K . ? 0.6404 0.6532 0.5300 0.0188 -0.0108 0.0707 904 HOH A O 3447 O O . HOH K . ? 0.4603 0.4457 0.5504 0.0139 0.0267 0.0542 905 HOH A O 3448 O O . HOH K . ? 0.4479 0.5159 0.7267 0.0062 0.1878 0.0884 906 HOH A O 3449 O O . HOH K . ? 0.4426 0.4662 0.7444 0.0256 -0.0057 0.0530 907 HOH A O 3450 O O . HOH K . ? 0.5344 0.5974 0.8135 0.0108 0.1747 0.0674 908 HOH A O 3451 O O . HOH K . ? 0.4928 0.5036 0.4455 0.0380 -0.0616 0.0849 909 HOH A O 3452 O O . HOH K . ? 0.5841 0.6517 0.8261 0.0045 0.1991 0.1018 910 HOH A O 3453 O O . HOH K . ? 0.5695 0.6164 0.6828 0.0051 0.1619 0.0720 911 HOH A O 3454 O O . HOH K . ? 0.5161 0.5353 0.4016 0.0026 0.0086 0.0197 912 HOH A O 3455 O O . HOH K . ? 0.6310 0.6625 0.6691 0.0618 -0.1709 0.0343 913 HOH A O 3456 O O . HOH K . ? 0.5305 0.5802 0.6282 0.0017 0.1784 0.1092 914 HOH A O 3457 O O . HOH K . ? 0.4570 0.4892 0.5087 0.0570 -0.1681 0.0228 915 HOH A O 3458 O O . HOH K . ? 0.5950 0.6435 0.6376 0.0045 0.1866 0.1165 916 HOH A O 3459 O O . HOH K . ? 0.3121 0.3848 0.7991 -0.0013 0.1101 0.0879 917 HOH A O 3460 O O . HOH K . ? 0.4533 0.4748 0.3358 0.0059 -0.0004 0.0188 918 HOH A O 3461 O O . HOH K . ? 0.6005 0.6293 0.4723 0.0106 -0.0054 0.0158 919 HOH A O 3462 O O . HOH K . ? 0.5188 0.5045 0.6894 0.0180 0.0603 0.0303 920 HOH A O 3463 O O . HOH K . ? 0.3404 0.3744 0.5557 -0.0135 0.1102 0.1236 921 HOH A O 3464 O O . HOH K . ? 0.8908 0.9398 0.5721 0.0679 0.2095 -0.0506 922 HOH A O 3465 O O . HOH K . ? 0.7307 0.7572 0.6383 0.0713 -0.1390 0.0883 923 HOH A O 3466 O O . HOH K . ? 0.4584 0.4430 0.6202 0.0182 0.0432 0.0430 924 HOH A O 3467 O O . HOH K . ? 0.6519 0.6720 0.7713 0.0460 -0.1160 0.0609 925 HOH A O 3468 O O . HOH K . ? 0.5136 0.5237 0.7827 0.0243 0.0536 0.0394 926 HOH A O 3469 O O . HOH K . ? 0.5970 0.6235 0.5631 0.0653 -0.1475 0.0668 927 HOH A O 3470 O O . HOH K . ? 0.4742 0.5030 0.6298 -0.0119 0.1149 0.1319 928 HOH A O 3471 O O . HOH K . ? 0.5549 0.5976 0.9293 0.0164 -0.0596 0.0397 929 HOH A O 3472 O O . HOH K . ? 0.3803 0.4079 0.6890 0.0232 0.0865 0.0347 930 HOH A O 3473 O O . HOH K . ? 0.4922 0.5207 0.8798 -0.0059 -0.0596 0.0355 931 HOH A O 3474 O O . HOH K . ? 0.6542 0.7048 1.1143 0.0130 -0.0654 0.0396 932 HOH A O 3475 O O . HOH K . ? 0.4147 0.4512 0.7673 0.0269 -0.0589 0.0484 933 HOH A O 3476 O O . HOH K . ? 0.5509 0.5862 0.5306 0.0184 0.1746 0.0165 934 HOH A O 3477 O O . HOH K . ? 0.5676 0.5828 0.6244 0.0456 -0.1014 0.0717 935 HOH A O 3478 O O . HOH K . ? 0.5400 0.5700 0.4220 0.0446 -0.0899 0.0373 936 HOH A O 3479 O O . HOH K . ? 0.3812 0.3890 0.4499 0.0400 -0.0764 0.0807 937 HOH A O 3480 O O . HOH K . ? 0.6662 0.6578 0.8172 0.0214 0.0122 0.0596 938 HOH A O 3481 O O . HOH K . ? 0.6630 0.6966 0.5022 0.0196 0.1553 0.1052 939 HOH A O 3482 O O . HOH K . ? 0.4204 0.4635 0.8100 0.0111 -0.0666 0.0349 940 HOH A O 3483 O O . HOH K . ? 0.5918 0.5872 0.6438 0.0368 -0.0518 0.1018 941 HOH A O 3484 O O . HOH K . ? 0.6443 0.6968 0.8728 0.0129 0.1621 0.0515 942 HOH A O 3485 O O . HOH K . ? 0.5741 0.5864 0.6850 0.0172 -0.1137 -0.0305 943 HOH A O 3486 O O . HOH K . ? 0.4612 0.5426 0.9428 -0.0038 0.1602 0.1102 944 HOH A O 3487 O O . HOH K . ? 0.5999 0.6316 0.5410 0.0035 0.1442 0.1118 945 HOH A O 3488 O O . HOH K . ? 0.6067 0.6224 0.9014 0.0253 0.0417 0.0445 946 HOH A O 3489 O O . HOH K . ? 0.3422 0.4134 0.8969 -0.0003 0.0531 0.0759 947 HOH A O 3490 O O . HOH K . ? 0.5327 0.5510 0.3146 0.0155 0.0737 0.0153 948 HOH A O 3491 O O . HOH K . ? 0.5852 0.5633 0.7403 0.0161 0.0799 0.0098 949 HOH A O 3492 O O . HOH K . ? 0.5407 0.5510 0.6069 -0.0098 0.0580 0.1031 950 HOH A O 3493 O O . HOH K . ? 0.4239 0.4309 0.5362 0.0397 -0.0748 0.0801 951 HOH A O 3494 O O . HOH K . ? 0.2951 0.3579 0.9318 -0.0007 -0.0638 0.0464 952 HOH A O 3495 O O . HOH K . ? 0.5302 0.5651 1.1480 -0.0163 -0.0774 0.0449 953 HOH A O 3496 O O . HOH K . ? 0.5180 0.5846 0.7210 0.0019 0.2124 0.1283 954 HOH A O 3497 O O . HOH K . ? 0.4575 0.4745 0.3467 0.0014 0.0891 0.0986 955 HOH A O 3498 O O . HOH K . ? 0.4944 0.4943 0.5344 0.0342 -0.0505 0.0901 956 HOH A O 3499 O O . HOH K . ? 0.4587 0.4900 0.5944 0.0449 -0.1517 0.0201 957 HOH A O 3500 O O . HOH K . ? 0.6819 0.7005 0.4569 0.0150 0.0624 0.0052 958 HOH A O 3501 O O . HOH K . ? 0.4152 0.4402 0.6019 0.0125 -0.0885 0.0082 959 HOH A O 3502 O O . HOH K . ? 0.5378 0.5559 0.4284 -0.0041 0.0170 0.0062 960 HOH A O 3503 O O . HOH K . ? 0.6596 0.7153 1.2181 0.0106 -0.1065 0.0276 961 HOH A O 3504 O O . HOH K . ? 0.3490 0.3799 0.7285 -0.0184 0.0350 0.0945 962 HOH A O 3505 O O . HOH K . ? 0.4335 0.4770 0.7044 -0.0114 0.1072 0.1055 963 HOH A O 3506 O O . HOH K . ? 0.4892 0.5327 0.8766 0.0203 0.0578 0.0490 964 HOH A O 3507 O O . HOH K . ? 0.5658 0.5393 0.6931 0.0130 0.0866 -0.0040 965 HOH A O 3508 O O . HOH K . ? 0.3921 0.4607 1.0647 -0.0056 -0.0323 0.0608 966 HOH A O 3509 O O . HOH K . ? 0.5341 0.5527 0.6281 0.0186 -0.1080 -0.0204 967 HOH A O 3510 O O . HOH K . ? 0.6544 0.6838 0.9108 0.0302 0.1597 0.0013 968 HOH A O 3511 O O . HOH K . ? 0.6491 0.6790 0.6260 0.0404 -0.1220 -0.0009 969 HOH A O 3512 O O . HOH K . ? 0.6511 0.7125 0.8786 -0.0031 0.1915 0.1310 970 HOH A O 3513 O O . HOH K . ? 0.5818 0.6328 0.6585 0.0052 0.1850 0.0982 971 HOH A O 3514 O O . HOH K . ? 0.7196 0.7411 0.4783 0.0216 0.0847 0.0224 972 HOH A O 3515 O O . HOH K . ? 0.6020 0.6202 0.5696 0.0146 -0.0322 0.0288 973 HOH A O 3516 O O . HOH K . ? 0.5239 0.5427 0.8165 -0.0035 -0.0646 0.0255 974 HOH A O 3517 O O . HOH K . ? 0.4162 0.4775 0.9477 0.0026 -0.0051 0.0592 975 HOH A O 3518 O O . HOH K . ? 0.6369 0.6493 0.7724 0.0125 -0.1034 -0.0183 976 HOH A O 3519 O O . HOH K . ? 0.7296 0.7544 0.5723 0.0266 0.1608 -0.0199 977 HOH A O 3520 O O . HOH K . ? 0.6776 0.6958 0.5475 0.0207 -0.0160 0.0637 978 HOH A O 3521 O O . HOH K . ? 0.7353 0.7710 0.5823 0.0743 -0.1383 0.0692 979 HOH A O 3522 O O . HOH K . ? 0.6119 0.5992 0.7223 0.0122 0.0723 0.0174 980 HOH A O 3523 O O . HOH K . ? 0.9697 1.0207 0.6129 0.0786 0.2066 -0.0825 981 HOH A O 3524 O O . HOH K . ? 0.6864 0.6998 0.5961 -0.0003 0.0786 0.1039 982 HOH A O 3525 O O . HOH K . ? 0.6195 0.6058 0.6479 0.0130 0.1136 -0.0422 983 HOH A O 3526 O O . HOH K . ? 0.4841 0.5264 0.5634 0.0081 0.1592 0.0554 984 HOH A O 3527 O O . HOH K . ? 0.4891 0.5087 0.3768 -0.0054 0.0167 0.0024 985 HOH A O 3528 O O . HOH K . ? 0.7466 0.7830 0.6164 0.0475 -0.1067 0.0017 986 HOH A O 3529 O O . HOH K . ? 0.5489 0.5847 0.6430 0.0086 0.1401 0.0413 987 HOH A O 3530 O O . HOH K . ? 0.6830 0.7156 0.5442 0.0188 -0.0206 0.0101 988 HOH A O 3531 O O . HOH K . ? 0.7161 0.7331 0.8505 0.0478 -0.1135 0.0704 989 HOH A O 3532 O O . HOH K . ? 0.6870 0.6916 0.7320 0.0394 -0.0688 0.0883 990 HOH A O 3533 O O . HOH K . ? 0.6710 0.6814 0.6554 0.0189 0.1446 -0.0312 991 HOH A O 3534 O O . HOH K . ? 0.6289 0.6561 0.8593 0.0365 -0.1026 0.0476 992 HOH A O 3535 O O . HOH K . ? 0.6766 0.6766 0.5536 0.0000 0.0000 0.0000 993 HOH A O 3536 O O . HOH K . ? 0.6563 0.6567 0.8238 0.0321 -0.0370 0.0752 994 HOH A O 3537 O O . HOH K . ? 0.3161 0.3879 0.9102 -0.0067 0.0453 0.0826 995 HOH A O 3538 O O . HOH K . ? 0.8342 0.8752 0.5951 0.0376 0.1800 0.0721 996 HOH A O 3539 O O . HOH K . ? 0.5555 0.5873 0.4690 0.0396 -0.1040 -0.0040 997 HOH A O 3540 O O . HOH K . ? 0.6551 0.6617 0.6621 0.0418 -0.0727 0.0920 998 HOH A O 3541 O O . HOH K . ? 0.7363 0.7551 0.4936 0.0218 0.0903 -0.0196 999 HOH A O 3542 O O . HOH K . ? 0.6188 0.6452 0.7998 0.0187 -0.1097 0.0003 1000 HOH A O 3543 O O . HOH K . ? 0.5739 0.6425 1.1742 -0.0102 0.0367 0.0844 1001 HOH A O 3544 O O . HOH K . ? 0.7904 0.8193 0.8062 0.0447 -0.1618 -0.0555 1002 HOH A O 3545 O O . HOH K . ? 0.7612 0.7802 0.6094 0.0242 0.1493 -0.0351 1003 HOH A O 3546 O O . HOH K . ? 0.5550 0.5749 0.8517 0.0301 -0.0263 0.0582 1004 HOH A O 3547 O O . HOH K . ? 0.6025 0.6605 0.8833 0.0200 0.1783 0.0425 1005 HOH A O 3548 O O . HOH K . ? 0.5902 0.6226 0.6851 0.0517 -0.1669 0.0157 1006 HOH A O 3549 O O . HOH K . ? 0.6689 0.6910 0.5546 0.0029 0.0057 0.0145 1007 HOH A O 3550 O O . HOH K . ? 0.6837 0.7526 0.9217 0.0082 0.2046 0.0912 1008 HOH A O 3551 O O . HOH K . ? 0.5690 0.6029 0.8403 0.0190 -0.0923 0.0236 1009 HOH A O # 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.ndb_seq_num _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 _pdbx_poly_seq_scheme.hetero A 1 1 PHE 1 82 82 PHE PHE A . n A 1 2 ARG 2 83 83 ARG ARG A . n A 1 3 PRO 3 84 84 PRO PRO A . n A 1 4 PHE 4 85 85 PHE PHE A . n A 1 5 LYS 5 86 86 LYS LYS A . n A 1 6 SER 6 87 87 SER SER A . n A 1 7 PRO 7 88 88 PRO PRO A . n A 1 8 LEU 8 89 89 LEU LEU A . n A 1 9 PRO 9 90 90 PRO PRO A . n A 1 10 LEU 10 91 91 LEU LEU A . n A 1 11 CYS 11 92 92 CYS CYS A . n A 1 12 PRO 12 93 93 PRO PRO A . n A 1 13 PHE 13 94 94 PHE PHE A . n A 1 14 ARG 14 95 95 ARG ARG A . n A 1 15 GLY 15 96 96 GLY GLY A . n A 1 16 PHE 16 97 97 PHE PHE A . n A 1 17 PHE 17 98 98 PHE PHE A . n A 1 18 PRO 18 99 99 PRO PRO A . n A 1 19 PHE 19 100 100 PHE PHE A . n A 1 20 HIS 20 101 101 HIS HIS A . n A 1 21 LYS 21 102 102 LYS LYS A . n A 1 22 ASP 22 103 103 ASP ASP A . n A 1 23 ASN 23 104 104 ASN ASN A . n A 1 24 ALA 24 105 105 ALA ALA A . n A 1 25 ILE 25 106 106 ILE ILE A . n A 1 26 ARG 26 107 107 ARG ARG A . n A 1 27 LEU 27 108 108 LEU LEU A . n A 1 28 GLY 28 109 109 GLY GLY A . n A 1 29 GLU 29 110 110 GLU GLU A . n A 1 30 ASN 30 111 111 ASN ASN A . n A 1 31 LYS 31 112 112 LYS LYS A . n A 1 32 ASP 32 113 113 ASP ASP A . n A 1 33 VAL 33 114 114 VAL VAL A . n A 1 34 ILE 34 115 115 ILE ILE A . n A 1 35 VAL 35 116 116 VAL VAL A . n A 1 36 THR 36 117 117 THR THR A . n A 1 37 ARG 37 118 118 ARG ARG A . n A 1 38 GLU 38 119 119 GLU GLU A . n A 1 39 PRO 39 120 120 PRO PRO A . n A 1 40 TYR 40 121 121 TYR TYR A . n A 1 41 VAL 41 122 122 VAL VAL A . n A 1 42 SER 42 123 123 SER SER A . n A 1 43 CYS 43 124 124 CYS CYS A . n A 1 44 ASP 44 125 125 ASP ASP A . n A 1 45 ASN 45 126 126 ASN ASN A . n A 1 46 ASP 46 127 127 ASP ASP A . n A 1 47 ASN 47 128 128 ASN ASN A . n A 1 48 CYS 48 129 129 CYS CYS A . n A 1 49 TRP 49 130 130 TRP TRP A . n A 1 50 SER 50 131 131 SER SER A . n A 1 51 PHE 51 132 132 PHE PHE A . n A 1 52 ALA 52 133 133 ALA ALA A . n A 1 53 LEU 53 134 134 LEU LEU A . n A 1 54 ALA 54 135 135 ALA ALA A . n A 1 55 GLN 55 136 136 GLN GLN A . n A 1 56 GLY 56 137 137 GLY GLY A . n A 1 57 ALA 57 138 138 ALA ALA A . n A 1 58 LEU 58 139 139 LEU LEU A . n A 1 59 LEU 59 140 140 LEU LEU A . n A 1 60 GLY 60 141 141 GLY GLY A . n A 1 61 THR 61 142 142 THR THR A . n A 1 62 LYS 62 143 143 LYS LYS A . n A 1 63 HIS 63 144 144 HIS HIS A . n A 1 64 SER 64 145 145 SER SER A . n A 1 65 ASN 65 146 146 ASN ASN A . n A 1 66 GLY 66 147 147 GLY GLY A . n A 1 67 THR 67 148 148 THR THR A . n A 1 68 ILE 68 149 149 ILE ILE A . n A 1 69 LYS 69 150 150 LYS LYS A . n A 1 70 ASP 70 151 151 ASP ASP A . n A 1 71 ARG 71 152 152 ARG ARG A . n A 1 72 THR 72 153 153 THR THR A . n A 1 73 PRO 73 154 154 PRO PRO A . n A 1 74 TYR 74 155 155 TYR TYR A . n A 1 75 ARG 75 156 156 ARG ARG A . n A 1 76 SER 76 157 157 SER SER A . n A 1 77 LEU 77 158 158 LEU LEU A . n A 1 78 ILE 78 159 159 ILE ILE A . n A 1 79 ARG 79 160 160 ARG ARG A . n A 1 80 PHE 80 161 161 PHE PHE A . n A 1 81 PRO 81 162 162 PRO PRO A . n A 1 82 ILE 82 163 163 ILE ILE A . n A 1 83 GLY 83 164 164 GLY GLY A . n A 1 84 THR 84 165 165 THR THR A . n A 1 85 ALA 85 166 166 ALA ALA A . n A 1 86 PRO 86 167 167 PRO PRO A . n A 1 87 VAL 87 168 168 VAL VAL A . n A 1 88 LEU 88 169 169 LEU LEU A . n A 1 89 GLY 89 170 170 GLY GLY A . n A 1 90 ASN 90 171 171 ASN ASN A A n A 1 91 TYR 91 171 171 TYR TYR A . n A 1 92 LYS 92 172 172 LYS LYS A . n A 1 93 GLU 93 173 173 GLU GLU A . n A 1 94 ILE 94 174 174 ILE ILE A . n A 1 95 CYS 95 175 175 CYS CYS A . n A 1 96 ILE 96 176 176 ILE ILE A . n A 1 97 ALA 97 177 177 ALA ALA A . n A 1 98 TRP 98 178 178 TRP TRP A . n A 1 99 SER 99 179 179 SER SER A . n A 1 100 SER 100 180 180 SER SER A . n A 1 101 SER 101 181 181 SER SER A . n A 1 102 SER 102 182 182 SER SER A . n A 1 103 CYS 103 183 183 CYS CYS A . n A 1 104 PHE 104 184 184 PHE PHE A . n A 1 105 ASP 105 185 185 ASP ASP A . n A 1 106 GLY 106 186 186 GLY GLY A . n A 1 107 LYS 107 187 187 LYS LYS A . n A 1 108 GLU 108 188 188 GLU GLU A . n A 1 109 TRP 109 189 189 TRP TRP A . n A 1 110 MET 110 190 190 MET MET A . n A 1 111 HIS 111 191 191 HIS HIS A . n A 1 112 VAL 112 192 192 VAL VAL A . n A 1 113 CYS 113 193 193 CYS CYS A . n A 1 114 MET 114 194 194 MET MET A . n A 1 115 THR 115 195 195 THR THR A . n A 1 116 GLY 116 196 196 GLY GLY A . n A 1 117 ASN 117 197 197 ASN ASN A . n A 1 118 ASP 118 198 198 ASP ASP A . n A 1 119 ASN 119 199 199 ASN ASN A . n A 1 120 ASP 120 200 200 ASP ASP A . n A 1 121 ALA 121 201 201 ALA ALA A . n A 1 122 SER 122 202 202 SER SER A . n A 1 123 ALA 123 203 203 ALA ALA A . n A 1 124 GLN 124 204 204 GLN GLN A . n A 1 125 ILE 125 205 205 ILE ILE A . n A 1 126 ILE 126 206 206 ILE ILE A . n A 1 127 TYR 127 207 207 TYR TYR A . n A 1 128 GLY 128 208 208 GLY GLY A . n A 1 129 GLY 129 209 209 GLY GLY A . n A 1 130 ARG 130 210 210 ARG ARG A . n A 1 131 MET 131 211 211 MET MET A . n A 1 132 THR 132 212 212 THR THR A . n A 1 133 ASP 133 213 213 ASP ASP A . n A 1 134 SER 134 214 214 SER SER A . n A 1 135 ILE 135 215 215 ILE ILE A . n A 1 136 LYS 136 216 216 LYS LYS A . n A 1 137 SER 137 217 217 SER SER A . n A 1 138 TRP 138 218 218 TRP TRP A . n A 1 139 ARG 139 219 219 ARG ARG A . n A 1 140 LYS 140 220 220 LYS LYS A . n A 1 141 ASP 141 221 221 ASP ASP A . n A 1 142 ILE 142 222 222 ILE ILE A . n A 1 143 LEU 143 223 223 LEU LEU A . n A 1 144 ARG 144 224 224 ARG ARG A . n A 1 145 THR 145 225 225 THR THR A . n A 1 146 GLN 146 226 226 GLN GLN A . n A 1 147 GLU 147 227 227 GLU GLU A . n A 1 148 SER 148 228 228 SER SER A . n A 1 149 GLU 149 229 229 GLU GLU A . n A 1 150 CYS 150 230 230 CYS CYS A . n A 1 151 GLN 151 231 231 GLN GLN A . n A 1 152 CYS 152 232 232 CYS CYS A . n A 1 153 ILE 153 233 233 ILE ILE A . n A 1 154 ASP 154 234 234 ASP ASP A . n A 1 155 GLY 155 235 235 GLY GLY A . n A 1 156 THR 156 236 236 THR THR A . n A 1 157 CYS 157 237 237 CYS CYS A . n A 1 158 VAL 158 238 238 VAL VAL A . n A 1 159 VAL 159 239 239 VAL VAL A . n A 1 160 ALA 160 240 240 ALA ALA A . n A 1 161 VAL 161 241 241 VAL VAL A . n A 1 162 THR 162 242 242 THR THR A . n A 1 163 ASP 163 243 243 ASP ASP A . n A 1 164 GLY 164 244 244 GLY GLY A . n A 1 165 PRO 165 245 245 PRO PRO A . n A 1 166 ALA 166 246 246 ALA ALA A . n A 1 167 ALA 167 247 247 ALA ALA A . n A 1 168 ASN 168 248 248 ASN ASN A . n A 1 169 SER 169 249 249 SER SER A . n A 1 170 ALA 170 250 250 ALA ALA A . n A 1 171 ASP 171 251 251 ASP ASP A . n A 1 172 TYR 172 252 252 TYR TYR A . n A 1 173 ARG 173 253 253 ARG ARG A . n A 1 174 VAL 174 254 254 VAL VAL A . n A 1 175 TYR 175 255 255 TYR TYR A . n A 1 176 TRP 176 256 256 TRP TRP A . n A 1 177 ILE 177 257 257 ILE ILE A . n A 1 178 ARG 178 258 258 ARG ARG A . n A 1 179 GLU 179 259 259 GLU GLU A . n A 1 180 GLY 180 260 260 GLY GLY A . n A 1 181 LYS 181 261 261 LYS LYS A . n A 1 182 ILE 182 262 262 ILE ILE A . n A 1 183 ILE 183 263 263 ILE ILE A . n A 1 184 LYS 184 264 264 LYS LYS A . n A 1 185 TYR 185 265 265 TYR TYR A . n A 1 186 GLU 186 266 266 GLU GLU A . n A 1 187 ASN 187 267 267 ASN ASN A . n A 1 188 VAL 188 268 268 VAL VAL A . n A 1 189 PRO 189 269 269 PRO PRO A . n A 1 190 LYS 190 270 270 LYS LYS A . n A 1 191 THR 191 271 271 THR THR A . n A 1 192 LYS 192 272 272 LYS LYS A A n A 1 193 ILE 193 272 272 ILE ILE A . n A 1 194 GLN 194 273 273 GLN GLN A . n A 1 195 TYR 195 274 274 TYR TYR A . n A 1 196 LEU 196 275 275 LEU LEU A . n A 1 197 GLU 197 276 276 GLU GLU A . n A 1 198 GLU 198 277 277 GLU GLU A . n A 1 199 CYS 199 278 278 CYS CYS A . n A 1 200 SER 200 279 279 SER SER A . n A 1 201 CYS 201 280 280 CYS CYS A . n A 1 202 TYR 202 281 281 TYR TYR A . n A 1 203 VAL 203 282 282 VAL VAL A . n A 1 204 ASP 204 283 283 ASP ASP A . n A 1 205 ILE 205 284 284 ILE ILE A . n A 1 206 ASP 206 285 285 ASP ASP A . n A 1 207 VAL 207 287 287 VAL VAL A . n A 1 208 TYR 208 288 288 TYR TYR A . n A 1 209 CYS 209 289 289 CYS CYS A . n A 1 210 ILE 210 290 290 ILE ILE A . n A 1 211 CYS 211 291 291 CYS CYS A . n A 1 212 ARG 212 292 292 ARG ARG A . n A 1 213 ASP 213 293 293 ASP ASP A . n A 1 214 ASN 214 294 294 ASN ASN A . n A 1 215 TRP 215 295 295 TRP TRP A . n A 1 216 LYS 216 296 296 LYS LYS A . n A 1 217 GLY 217 297 297 GLY GLY A . n A 1 218 SER 218 298 298 SER SER A . n A 1 219 ASN 219 299 299 ASN ASN A . n A 1 220 ARG 220 300 300 ARG ARG A . n A 1 221 PRO 221 301 301 PRO PRO A . n A 1 222 TRP 222 302 302 TRP TRP A . n A 1 223 MET 223 303 303 MET MET A . n A 1 224 ARG 224 304 304 ARG ARG A . n A 1 225 ILE 225 305 305 ILE ILE A . n A 1 226 ASN 226 306 306 ASN ASN A . n A 1 227 ASN 227 307 307 ASN ASN A . n A 1 228 GLU 228 308 308 GLU GLU A . n A 1 229 THR 229 309 309 THR THR A . n A 1 230 ILE 230 311 311 ILE ILE A . n A 1 231 LEU 231 312 312 LEU LEU A . n A 1 232 GLU 232 313 313 GLU GLU A . n A 1 233 THR 233 314 314 THR THR A . n A 1 234 GLY 234 315 315 GLY GLY A . n A 1 235 TYR 235 316 316 TYR TYR A . n A 1 236 VAL 236 317 317 VAL VAL A . n A 1 237 CYS 237 318 318 CYS CYS A . n A 1 238 SER 238 319 319 SER SER A . n A 1 239 LYS 239 320 320 LYS LYS A . n A 1 240 PHE 240 321 321 PHE PHE A . n A 1 241 HIS 241 322 322 HIS HIS A . n A 1 242 SER 242 323 323 SER SER A . n A 1 243 ASP 243 324 324 ASP ASP A . n A 1 244 THR 244 325 325 THR THR A . n A 1 245 PRO 245 326 326 PRO PRO A . n A 1 246 ARG 246 327 327 ARG ARG A . n A 1 247 PRO 247 328 328 PRO PRO A . n A 1 248 ALA 248 329 329 ALA ALA A . n A 1 249 ASP 249 330 330 ASP ASP A . n A 1 250 PRO 250 331 331 PRO PRO A . n A 1 251 SER 251 332 332 SER SER A . n A 1 252 THR 252 333 333 THR THR A . n A 1 253 MET 253 334 334 MET MET A . n A 1 254 SER 254 335 335 SER SER A . n A 1 255 CYS 255 337 337 CYS CYS A . n A 1 256 ASP 256 338 338 ASP ASP A . n A 1 257 SER 257 339 339 SER SER A . n A 1 258 PRO 258 340 340 PRO PRO A . n A 1 259 SER 259 341 341 SER SER A . n A 1 260 ASN 260 342 342 ASN ASN A . n A 1 261 VAL 261 343 343 VAL VAL A . n A 1 262 ASN 262 344 344 ASN ASN A . n A 1 263 GLY 263 345 345 GLY GLY A . n A 1 264 GLY 264 346 346 GLY GLY A . n A 1 265 PRO 265 347 347 PRO PRO A . n A 1 266 GLY 266 348 348 GLY GLY A . n A 1 267 VAL 267 349 349 VAL VAL A . n A 1 268 LYS 268 350 350 LYS LYS A . n A 1 269 GLY 269 351 351 GLY GLY A . n A 1 270 PHE 270 352 352 PHE PHE A . n A 1 271 GLY 271 353 353 GLY GLY A . n A 1 272 PHE 272 354 354 PHE PHE A . n A 1 273 LYS 273 355 355 LYS LYS A . n A 1 274 ALA 274 356 356 ALA ALA A . n A 1 275 GLY 275 357 357 GLY GLY A . n A 1 276 ASP 276 358 358 ASP ASP A . n A 1 277 ASP 277 359 359 ASP ASP A . n A 1 278 VAL 278 360 360 VAL VAL A . n A 1 279 TRP 279 361 361 TRP TRP A . n A 1 280 LEU 280 362 362 LEU LEU A . n A 1 281 GLY 281 363 363 GLY GLY A . n A 1 282 ARG 282 364 364 ARG ARG A . n A 1 283 THR 283 365 365 THR THR A . n A 1 284 VAL 284 366 366 VAL VAL A . n A 1 285 SER 285 367 367 SER SER A . n A 1 286 THR 286 368 368 THR THR A . n A 1 287 SER 287 369 369 SER SER A . n A 1 288 GLY 288 370 370 GLY GLY A . n A 1 289 ARG 289 371 371 ARG ARG A . n A 1 290 SER 290 372 372 SER SER A . n A 1 291 GLY 291 373 373 GLY GLY A . n A 1 292 PHE 292 374 374 PHE PHE A . n A 1 293 GLU 293 375 375 GLU GLU A . n A 1 294 ILE 294 376 376 ILE ILE A . n A 1 295 ILE 295 377 377 ILE ILE A . n A 1 296 LYS 296 378 378 LYS LYS A . n A 1 297 VAL 297 379 379 VAL VAL A . n A 1 298 THR 298 380 380 THR THR A . n A 1 299 GLU 299 381 381 GLU GLU A . n A 1 300 GLY 300 382 382 GLY GLY A . n A 1 301 TRP 301 383 383 TRP TRP A . n A 1 302 ILE 302 384 384 ILE ILE A . n A 1 303 ASN 303 385 385 ASN ASN A . n A 1 304 SER 304 386 386 SER SER A . n A 1 305 PRO 305 387 387 PRO PRO A . n A 1 306 ASN 306 388 388 ASN ASN A . n A 1 307 HIS 307 389 389 HIS HIS A . n A 1 308 VAL 308 390 390 VAL VAL A . n A 1 309 LYS 309 391 391 LYS LYS A . n A 1 310 SER 310 392 392 SER SER A . n A 1 311 ILE 311 393 393 ILE ILE A . n A 1 312 THR 312 394 394 THR THR A . n A 1 313 GLN 313 395 395 GLN GLN A . n A 1 314 THR 314 396 396 THR THR A . n A 1 315 LEU 315 397 397 LEU LEU A . n A 1 316 VAL 316 398 398 VAL VAL A . n A 1 317 SER 317 399 399 SER SER A . n A 1 318 ASN 318 400 400 ASN ASN A . n A 1 319 ASN 319 401 401 ASN ASN A . n A 1 320 ASP 320 402 402 ASP ASP A . n A 1 321 TRP 321 403 403 TRP TRP A . n A 1 322 SER 322 404 404 SER SER A . n A 1 323 GLY 323 405 405 GLY GLY A . n A 1 324 TYR 324 406 406 TYR TYR A . n A 1 325 SER 325 407 407 SER SER A . n A 1 326 GLY 326 408 408 GLY GLY A . n A 1 327 SER 327 409 409 SER SER A . n A 1 328 PHE 328 410 410 PHE PHE A . n A 1 329 ILE 329 411 411 ILE ILE A . n A 1 330 VAL 330 412 412 VAL VAL A . n A 1 331 LYS 331 413 413 LYS LYS A . n A 1 332 ALA 332 414 414 ALA ALA A . n A 1 333 LYS 333 415 415 LYS LYS A . n A 1 334 ASP 334 416 416 ASP ASP A . n A 1 335 CYS 335 417 417 CYS CYS A . n A 1 336 PHE 336 418 418 PHE PHE A . n A 1 337 GLN 337 419 419 GLN GLN A . n A 1 338 PRO 338 420 420 PRO PRO A . n A 1 339 CYS 339 421 421 CYS CYS A . n A 1 340 PHE 340 422 422 PHE PHE A . n A 1 341 TYR 341 423 423 TYR TYR A . n A 1 342 VAL 342 424 424 VAL VAL A . n A 1 343 GLU 343 425 425 GLU GLU A . n A 1 344 LEU 344 426 426 LEU LEU A . n A 1 345 ILE 345 427 427 ILE ILE A . n A 1 346 ARG 346 428 428 ARG ARG A . n A 1 347 GLY 347 429 429 GLY GLY A . n A 1 348 ARG 348 430 430 ARG ARG A . n A 1 349 PRO 349 431 431 PRO PRO A . n A 1 350 ASN 350 432 432 ASN ASN A A n A 1 351 LYS 351 432 432 LYS LYS A . n A 1 352 ASN 352 433 433 ASN ASN A . n A 1 353 ASP 353 434 434 ASP ASP A . n A 1 354 ASP 354 435 435 ASP ASP A . n A 1 355 VAL 355 436 436 VAL VAL A . n A 1 356 SER 356 437 437 SER SER A . n A 1 357 TRP 357 438 438 TRP TRP A . n A 1 358 THR 358 439 439 THR THR A . n A 1 359 SER 359 440 440 SER SER A . n A 1 360 ASN 360 441 441 ASN ASN A . n A 1 361 SER 361 442 442 SER SER A . n A 1 362 ILE 362 443 443 ILE ILE A . n A 1 363 VAL 363 444 444 VAL VAL A . n A 1 364 THR 364 445 445 THR THR A . n A 1 365 PHE 365 446 446 PHE PHE A . n A 1 366 CYS 366 447 447 CYS CYS A . n A 1 367 GLY 367 448 448 GLY GLY A . n A 1 368 LEU 368 449 449 LEU LEU A . n A 1 369 ASP 369 450 450 ASP ASP A . n A 1 370 ASN 370 451 451 ASN ASN A . n A 1 371 GLU 371 452 452 GLU GLU A . n A 1 372 PRO 372 453 453 PRO PRO A . n A 1 373 GLY 373 454 454 GLY GLY A . n A 1 374 SER 374 455 455 SER SER A . n A 1 375 GLY 375 456 456 GLY GLY A . n A 1 376 ASN 376 457 457 ASN ASN A . n A 1 377 TRP 377 458 458 TRP TRP A . n A 1 378 PRO 378 459 459 PRO PRO A . n A 1 379 ASP 379 460 460 ASP ASP A . n A 1 380 GLY 380 461 461 GLY GLY A . n A 1 381 SER 381 462 462 SER SER A . n A 1 382 ASN 382 463 463 ASN ASN A . n A 1 383 ILE 383 464 464 ILE ILE A . n A 1 384 GLY 384 465 465 GLY GLY A . n A 1 385 PHE 385 466 466 PHE PHE A . n A 1 386 MET 386 467 467 MET MET A . n A 1 387 PRO 387 468 468 PRO PRO A . n A 1 388 LYS 388 469 469 LYS LYS A . n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code B 2 NAG 1 501 501 NAG NAG A . C 2 NAG 2 502 502 NAG NAG A . D 3 FUC 3 503 503 FUC FUC A . E 2 NAG 1 504 504 NAG NAG A . F 3 FUC 2 505 505 FUC FUC A . G 2 NAG 3 506 506 NAG NAG A . H 4 CA 1 507 601 CA CA A . I 4 CA 1 508 602 CA CA A . J 5 ZMR 1 509 1002 ZMR ZMR A . K 6 HOH 1 601 1 HOH HOH A . K 6 HOH 2 602 2 HOH HOH A . K 6 HOH 3 603 3 HOH HOH A . K 6 HOH 4 604 4 HOH HOH A . K 6 HOH 5 605 5 HOH HOH A . K 6 HOH 6 606 6 HOH HOH A . K 6 HOH 7 607 7 HOH HOH A . K 6 HOH 8 608 8 HOH HOH A . K 6 HOH 9 609 9 HOH HOH A . K 6 HOH 10 610 10 HOH HOH A . K 6 HOH 11 611 11 HOH HOH A . K 6 HOH 12 612 12 HOH HOH A . K 6 HOH 13 613 13 HOH HOH A . K 6 HOH 14 614 14 HOH HOH A . K 6 HOH 15 615 15 HOH HOH A . K 6 HOH 16 616 16 HOH HOH A . K 6 HOH 17 617 17 HOH HOH A . K 6 HOH 18 618 18 HOH HOH A . K 6 HOH 19 619 19 HOH HOH A . K 6 HOH 20 620 20 HOH HOH A . K 6 HOH 21 621 21 HOH HOH A . K 6 HOH 22 622 22 HOH HOH A . K 6 HOH 23 623 23 HOH HOH A . K 6 HOH 24 624 24 HOH HOH A . K 6 HOH 25 625 25 HOH HOH A . K 6 HOH 26 626 26 HOH HOH A . K 6 HOH 27 627 27 HOH HOH A . K 6 HOH 28 628 28 HOH HOH A . K 6 HOH 29 629 29 HOH HOH A . K 6 HOH 30 630 30 HOH HOH A . K 6 HOH 31 631 31 HOH HOH A . K 6 HOH 32 632 32 HOH HOH A . K 6 HOH 33 633 33 HOH HOH A . K 6 HOH 34 634 34 HOH HOH A . K 6 HOH 35 635 35 HOH HOH A . K 6 HOH 36 636 36 HOH HOH A . K 6 HOH 37 637 37 HOH HOH A . K 6 HOH 38 638 38 HOH HOH A . K 6 HOH 39 639 39 HOH HOH A . K 6 HOH 40 640 40 HOH HOH A . K 6 HOH 41 641 41 HOH HOH A . K 6 HOH 42 642 42 HOH HOH A . K 6 HOH 43 643 43 HOH HOH A . K 6 HOH 44 644 44 HOH HOH A . K 6 HOH 45 645 45 HOH HOH A . K 6 HOH 46 646 46 HOH HOH A . K 6 HOH 47 647 47 HOH HOH A . K 6 HOH 48 648 48 HOH HOH A . K 6 HOH 49 649 49 HOH HOH A . K 6 HOH 50 650 50 HOH HOH A . K 6 HOH 51 651 51 HOH HOH A . K 6 HOH 52 652 52 HOH HOH A . K 6 HOH 53 653 53 HOH HOH A . K 6 HOH 54 654 54 HOH HOH A . K 6 HOH 55 655 55 HOH HOH A . K 6 HOH 56 656 56 HOH HOH A . K 6 HOH 57 657 57 HOH HOH A . K 6 HOH 58 658 58 HOH HOH A . K 6 HOH 59 659 59 HOH HOH A . K 6 HOH 60 660 60 HOH HOH A . K 6 HOH 61 661 61 HOH HOH A . K 6 HOH 62 662 62 HOH HOH A . K 6 HOH 63 663 63 HOH HOH A . K 6 HOH 64 664 64 HOH HOH A . K 6 HOH 65 665 65 HOH HOH A . K 6 HOH 66 666 66 HOH HOH A . K 6 HOH 67 667 67 HOH HOH A . K 6 HOH 68 668 68 HOH HOH A . K 6 HOH 69 669 69 HOH HOH A . K 6 HOH 70 670 70 HOH HOH A . K 6 HOH 71 671 71 HOH HOH A . K 6 HOH 72 672 72 HOH HOH A . K 6 HOH 73 673 73 HOH HOH A . K 6 HOH 74 674 74 HOH HOH A . K 6 HOH 75 675 75 HOH HOH A . K 6 HOH 76 676 76 HOH HOH A . K 6 HOH 77 677 77 HOH HOH A . K 6 HOH 78 678 78 HOH HOH A . K 6 HOH 79 679 79 HOH HOH A . K 6 HOH 80 680 80 HOH HOH A . K 6 HOH 81 681 81 HOH HOH A . K 6 HOH 82 682 82 HOH HOH A . K 6 HOH 83 683 83 HOH HOH A . K 6 HOH 84 684 84 HOH HOH A . K 6 HOH 85 685 85 HOH HOH A . K 6 HOH 86 686 86 HOH HOH A . K 6 HOH 87 687 87 HOH HOH A . K 6 HOH 88 688 88 HOH HOH A . K 6 HOH 89 689 89 HOH HOH A . K 6 HOH 90 690 90 HOH HOH A . K 6 HOH 91 691 91 HOH HOH A . K 6 HOH 92 692 92 HOH HOH A . K 6 HOH 93 693 93 HOH HOH A . K 6 HOH 94 694 94 HOH HOH A . K 6 HOH 95 695 95 HOH HOH A . K 6 HOH 96 696 96 HOH HOH A . K 6 HOH 97 697 97 HOH HOH A . K 6 HOH 98 698 98 HOH HOH A . K 6 HOH 99 699 99 HOH HOH A . K 6 HOH 100 700 100 HOH HOH A . K 6 HOH 101 701 101 HOH HOH A . K 6 HOH 102 702 102 HOH HOH A . K 6 HOH 103 703 103 HOH HOH A . K 6 HOH 104 704 104 HOH HOH A . K 6 HOH 105 705 105 HOH HOH A . K 6 HOH 106 706 106 HOH HOH A . K 6 HOH 107 707 107 HOH HOH A . K 6 HOH 108 708 108 HOH HOH A . K 6 HOH 109 709 109 HOH HOH A . K 6 HOH 110 710 110 HOH HOH A . K 6 HOH 111 711 111 HOH HOH A . K 6 HOH 112 712 112 HOH HOH A . K 6 HOH 113 713 113 HOH HOH A . K 6 HOH 114 714 114 HOH HOH A . K 6 HOH 115 715 115 HOH HOH A . K 6 HOH 116 716 116 HOH HOH A . K 6 HOH 117 717 117 HOH HOH A . K 6 HOH 118 718 118 HOH HOH A . K 6 HOH 119 719 119 HOH HOH A . K 6 HOH 120 720 120 HOH HOH A . K 6 HOH 121 721 121 HOH HOH A . K 6 HOH 122 722 122 HOH HOH A . K 6 HOH 123 723 123 HOH HOH A . K 6 HOH 124 724 124 HOH HOH A . K 6 HOH 125 725 125 HOH HOH A . K 6 HOH 126 726 126 HOH HOH A . K 6 HOH 127 727 127 HOH HOH A . K 6 HOH 128 728 128 HOH HOH A . K 6 HOH 129 729 129 HOH HOH A . K 6 HOH 130 730 130 HOH HOH A . K 6 HOH 131 731 131 HOH HOH A . K 6 HOH 132 732 132 HOH HOH A . K 6 HOH 133 733 133 HOH HOH A . K 6 HOH 134 734 134 HOH HOH A . K 6 HOH 135 735 135 HOH HOH A . K 6 HOH 136 736 136 HOH HOH A . K 6 HOH 137 737 137 HOH HOH A . K 6 HOH 138 738 138 HOH HOH A . K 6 HOH 139 739 139 HOH HOH A . K 6 HOH 140 740 140 HOH HOH A . K 6 HOH 141 741 141 HOH HOH A . K 6 HOH 142 742 142 HOH HOH A . K 6 HOH 143 743 143 HOH HOH A . K 6 HOH 144 744 144 HOH HOH A . K 6 HOH 145 745 145 HOH HOH A . K 6 HOH 146 746 146 HOH HOH A . K 6 HOH 147 747 147 HOH HOH A . K 6 HOH 148 748 148 HOH HOH A . K 6 HOH 149 749 149 HOH HOH A . K 6 HOH 150 750 150 HOH HOH A . K 6 HOH 151 751 151 HOH HOH A . K 6 HOH 152 752 152 HOH HOH A . K 6 HOH 153 753 153 HOH HOH A . K 6 HOH 154 754 154 HOH HOH A . K 6 HOH 155 755 155 HOH HOH A . K 6 HOH 156 756 156 HOH HOH A . K 6 HOH 157 757 157 HOH HOH A . K 6 HOH 158 758 158 HOH HOH A . K 6 HOH 159 759 159 HOH HOH A . K 6 HOH 160 760 160 HOH HOH A . K 6 HOH 161 761 161 HOH HOH A . K 6 HOH 162 762 162 HOH HOH A . K 6 HOH 163 763 163 HOH HOH A . K 6 HOH 164 764 164 HOH HOH A . K 6 HOH 165 765 165 HOH HOH A . K 6 HOH 166 766 166 HOH HOH A . K 6 HOH 167 767 167 HOH HOH A . K 6 HOH 168 768 168 HOH HOH A . K 6 HOH 169 769 169 HOH HOH A . K 6 HOH 170 770 170 HOH HOH A . K 6 HOH 171 771 171 HOH HOH A . K 6 HOH 172 772 172 HOH HOH A . K 6 HOH 173 773 173 HOH HOH A . K 6 HOH 174 774 174 HOH HOH A . K 6 HOH 175 775 175 HOH HOH A . K 6 HOH 176 776 176 HOH HOH A . K 6 HOH 177 777 177 HOH HOH A . K 6 HOH 178 778 178 HOH HOH A . K 6 HOH 179 779 179 HOH HOH A . K 6 HOH 180 780 180 HOH HOH A . K 6 HOH 181 781 181 HOH HOH A . K 6 HOH 182 782 182 HOH HOH A . K 6 HOH 183 783 183 HOH HOH A . K 6 HOH 184 784 184 HOH HOH A . K 6 HOH 185 785 185 HOH HOH A . K 6 HOH 186 786 186 HOH HOH A . K 6 HOH 187 787 187 HOH HOH A . K 6 HOH 188 788 188 HOH HOH A . K 6 HOH 189 789 189 HOH HOH A . K 6 HOH 190 790 190 HOH HOH A . K 6 HOH 191 791 191 HOH HOH A . K 6 HOH 192 792 192 HOH HOH A . K 6 HOH 193 793 193 HOH HOH A . K 6 HOH 194 794 194 HOH HOH A . K 6 HOH 195 795 195 HOH HOH A . K 6 HOH 196 796 196 HOH HOH A . K 6 HOH 197 797 197 HOH HOH A . K 6 HOH 198 798 198 HOH HOH A . K 6 HOH 199 799 199 HOH HOH A . K 6 HOH 200 800 200 HOH HOH A . K 6 HOH 201 801 201 HOH HOH A . K 6 HOH 202 802 202 HOH HOH A . K 6 HOH 203 803 203 HOH HOH A . K 6 HOH 204 804 204 HOH HOH A . K 6 HOH 205 805 205 HOH HOH A . K 6 HOH 206 806 206 HOH HOH A . K 6 HOH 207 807 207 HOH HOH A . K 6 HOH 208 808 208 HOH HOH A . K 6 HOH 209 809 209 HOH HOH A . K 6 HOH 210 810 210 HOH HOH A . K 6 HOH 211 811 211 HOH HOH A . K 6 HOH 212 812 212 HOH HOH A . K 6 HOH 213 813 213 HOH HOH A . K 6 HOH 214 814 214 HOH HOH A . K 6 HOH 215 815 215 HOH HOH A . K 6 HOH 216 816 216 HOH HOH A . K 6 HOH 217 817 217 HOH HOH A . K 6 HOH 218 818 218 HOH HOH A . K 6 HOH 219 819 219 HOH HOH A . K 6 HOH 220 820 220 HOH HOH A . K 6 HOH 221 821 221 HOH HOH A . K 6 HOH 222 822 222 HOH HOH A . K 6 HOH 223 823 223 HOH HOH A . K 6 HOH 224 824 224 HOH HOH A . K 6 HOH 225 825 225 HOH HOH A . K 6 HOH 226 826 226 HOH HOH A . K 6 HOH 227 827 227 HOH HOH A . K 6 HOH 228 828 228 HOH HOH A . K 6 HOH 229 829 229 HOH HOH A . K 6 HOH 230 830 230 HOH HOH A . K 6 HOH 231 831 231 HOH HOH A . K 6 HOH 232 832 232 HOH HOH A . K 6 HOH 233 833 233 HOH HOH A . K 6 HOH 234 834 234 HOH HOH A . K 6 HOH 235 835 235 HOH HOH A . K 6 HOH 236 836 236 HOH HOH A . K 6 HOH 237 837 237 HOH HOH A . K 6 HOH 238 838 238 HOH HOH A . K 6 HOH 239 839 239 HOH HOH A . K 6 HOH 240 840 240 HOH HOH A . K 6 HOH 241 841 241 HOH HOH A . K 6 HOH 242 842 242 HOH HOH A . K 6 HOH 243 843 243 HOH HOH A . K 6 HOH 244 844 244 HOH HOH A . K 6 HOH 245 845 245 HOH HOH A . K 6 HOH 246 846 246 HOH HOH A . K 6 HOH 247 847 247 HOH HOH A . K 6 HOH 248 848 248 HOH HOH A . K 6 HOH 249 849 249 HOH HOH A . K 6 HOH 250 850 250 HOH HOH A . K 6 HOH 251 851 251 HOH HOH A . K 6 HOH 252 852 252 HOH HOH A . K 6 HOH 253 853 253 HOH HOH A . K 6 HOH 254 854 254 HOH HOH A . K 6 HOH 255 855 255 HOH HOH A . K 6 HOH 256 856 256 HOH HOH A . K 6 HOH 257 857 257 HOH HOH A . K 6 HOH 258 858 258 HOH HOH A . K 6 HOH 259 859 259 HOH HOH A . K 6 HOH 260 860 260 HOH HOH A . K 6 HOH 261 861 261 HOH HOH A . K 6 HOH 262 862 262 HOH HOH A . K 6 HOH 263 863 263 HOH HOH A . K 6 HOH 264 864 264 HOH HOH A . K 6 HOH 265 865 265 HOH HOH A . K 6 HOH 266 866 266 HOH HOH A . K 6 HOH 267 867 267 HOH HOH A . K 6 HOH 268 868 268 HOH HOH A . K 6 HOH 269 869 269 HOH HOH A . K 6 HOH 270 870 270 HOH HOH A . K 6 HOH 271 871 271 HOH HOH A . K 6 HOH 272 872 272 HOH HOH A . K 6 HOH 273 873 273 HOH HOH A . K 6 HOH 274 874 274 HOH HOH A . K 6 HOH 275 875 275 HOH HOH A . K 6 HOH 276 876 276 HOH HOH A . K 6 HOH 277 877 277 HOH HOH A . K 6 HOH 278 878 278 HOH HOH A . K 6 HOH 279 879 279 HOH HOH A . K 6 HOH 280 880 280 HOH HOH A . K 6 HOH 281 881 281 HOH HOH A . K 6 HOH 282 882 282 HOH HOH A . K 6 HOH 283 883 283 HOH HOH A . K 6 HOH 284 884 284 HOH HOH A . K 6 HOH 285 885 285 HOH HOH A . K 6 HOH 286 886 286 HOH HOH A . K 6 HOH 287 887 287 HOH HOH A . K 6 HOH 288 888 288 HOH HOH A . K 6 HOH 289 889 289 HOH HOH A . K 6 HOH 290 890 290 HOH HOH A . K 6 HOH 291 891 291 HOH HOH A . K 6 HOH 292 892 292 HOH HOH A . K 6 HOH 293 893 293 HOH HOH A . K 6 HOH 294 894 294 HOH HOH A . K 6 HOH 295 895 295 HOH HOH A . K 6 HOH 296 896 296 HOH HOH A . K 6 HOH 297 897 297 HOH HOH A . K 6 HOH 298 898 298 HOH HOH A . K 6 HOH 299 899 299 HOH HOH A . K 6 HOH 300 900 300 HOH HOH A . K 6 HOH 301 901 301 HOH HOH A . K 6 HOH 302 902 302 HOH HOH A . K 6 HOH 303 903 303 HOH HOH A . K 6 HOH 304 904 304 HOH HOH A . K 6 HOH 305 905 305 HOH HOH A . K 6 HOH 306 906 306 HOH HOH A . K 6 HOH 307 907 307 HOH HOH A . K 6 HOH 308 908 308 HOH HOH A . K 6 HOH 309 909 309 HOH HOH A . K 6 HOH 310 910 310 HOH HOH A . K 6 HOH 311 911 311 HOH HOH A . K 6 HOH 312 912 312 HOH HOH A . K 6 HOH 313 913 313 HOH HOH A . K 6 HOH 314 914 314 HOH HOH A . K 6 HOH 315 915 315 HOH HOH A . K 6 HOH 316 916 316 HOH HOH A . K 6 HOH 317 917 317 HOH HOH A . K 6 HOH 318 918 318 HOH HOH A . K 6 HOH 319 919 319 HOH HOH A . K 6 HOH 320 920 320 HOH HOH A . K 6 HOH 321 921 321 HOH HOH A . K 6 HOH 322 922 322 HOH HOH A . K 6 HOH 323 923 323 HOH HOH A . K 6 HOH 324 924 324 HOH HOH A . K 6 HOH 325 925 325 HOH HOH A . K 6 HOH 326 926 326 HOH HOH A . K 6 HOH 327 927 327 HOH HOH A . K 6 HOH 328 928 328 HOH HOH A . K 6 HOH 329 929 329 HOH HOH A . K 6 HOH 330 930 330 HOH HOH A . K 6 HOH 331 931 331 HOH HOH A . K 6 HOH 332 932 332 HOH HOH A . K 6 HOH 333 933 333 HOH HOH A . K 6 HOH 334 934 334 HOH HOH A . K 6 HOH 335 935 335 HOH HOH A . K 6 HOH 336 936 336 HOH HOH A . K 6 HOH 337 937 337 HOH HOH A . K 6 HOH 338 938 338 HOH HOH A . K 6 HOH 339 939 339 HOH HOH A . K 6 HOH 340 940 340 HOH HOH A . K 6 HOH 341 941 341 HOH HOH A . K 6 HOH 342 942 342 HOH HOH A . K 6 HOH 343 943 343 HOH HOH A . K 6 HOH 344 944 344 HOH HOH A . K 6 HOH 345 945 345 HOH HOH A . K 6 HOH 346 946 346 HOH HOH A . K 6 HOH 347 947 347 HOH HOH A . K 6 HOH 348 948 348 HOH HOH A . K 6 HOH 349 949 349 HOH HOH A . K 6 HOH 350 950 350 HOH HOH A . K 6 HOH 351 951 351 HOH HOH A . K 6 HOH 352 952 352 HOH HOH A . K 6 HOH 353 953 353 HOH HOH A . K 6 HOH 354 954 354 HOH HOH A . K 6 HOH 355 955 355 HOH HOH A . K 6 HOH 356 956 356 HOH HOH A . K 6 HOH 357 957 357 HOH HOH A . K 6 HOH 358 958 358 HOH HOH A . K 6 HOH 359 959 359 HOH HOH A . K 6 HOH 360 960 360 HOH HOH A . K 6 HOH 361 961 361 HOH HOH A . K 6 HOH 362 962 362 HOH HOH A . K 6 HOH 363 963 363 HOH HOH A . K 6 HOH 364 964 364 HOH HOH A . K 6 HOH 365 965 365 HOH HOH A . K 6 HOH 366 966 366 HOH HOH A . K 6 HOH 367 967 367 HOH HOH A . K 6 HOH 368 968 368 HOH HOH A . K 6 HOH 369 969 369 HOH HOH A . K 6 HOH 370 970 370 HOH HOH A . K 6 HOH 371 971 371 HOH HOH A . K 6 HOH 372 972 372 HOH HOH A . K 6 HOH 373 973 373 HOH HOH A . K 6 HOH 374 974 374 HOH HOH A . K 6 HOH 375 975 375 HOH HOH A . K 6 HOH 376 976 376 HOH HOH A . K 6 HOH 377 977 377 HOH HOH A . K 6 HOH 378 978 378 HOH HOH A . K 6 HOH 379 979 379 HOH HOH A . K 6 HOH 380 980 380 HOH HOH A . K 6 HOH 381 981 381 HOH HOH A . K 6 HOH 382 982 382 HOH HOH A . K 6 HOH 383 983 383 HOH HOH A . K 6 HOH 384 984 384 HOH HOH A . K 6 HOH 385 985 385 HOH HOH A . K 6 HOH 386 986 386 HOH HOH A . K 6 HOH 387 987 387 HOH HOH A . K 6 HOH 388 988 388 HOH HOH A . K 6 HOH 389 989 389 HOH HOH A . K 6 HOH 390 990 390 HOH HOH A . K 6 HOH 391 991 391 HOH HOH A . K 6 HOH 392 992 392 HOH HOH A . K 6 HOH 393 993 393 HOH HOH A . K 6 HOH 394 994 394 HOH HOH A . K 6 HOH 395 995 395 HOH HOH A . K 6 HOH 396 996 396 HOH HOH A . K 6 HOH 397 997 397 HOH HOH A . K 6 HOH 398 998 398 HOH HOH A . K 6 HOH 399 999 399 HOH HOH A . K 6 HOH 400 1000 400 HOH HOH A . K 6 HOH 401 1001 401 HOH HOH A . K 6 HOH 402 1002 402 HOH HOH A . K 6 HOH 403 1003 403 HOH HOH A . K 6 HOH 404 1004 404 HOH HOH A . K 6 HOH 405 1005 405 HOH HOH A . K 6 HOH 406 1006 406 HOH HOH A . K 6 HOH 407 1007 407 HOH HOH A . K 6 HOH 408 1008 408 HOH HOH A . K 6 HOH 409 1009 409 HOH HOH A . # loop_ _pdbx_struct_mod_residue.id _pdbx_struct_mod_residue.label_asym_id _pdbx_struct_mod_residue.label_comp_id _pdbx_struct_mod_residue.label_seq_id _pdbx_struct_mod_residue.auth_asym_id _pdbx_struct_mod_residue.auth_comp_id _pdbx_struct_mod_residue.auth_seq_id _pdbx_struct_mod_residue.PDB_ins_code _pdbx_struct_mod_residue.parent_comp_id _pdbx_struct_mod_residue.details 1 A ASN 65 A ASN 146 ? ASN 'GLYCOSYLATION SITE' 2 A ASN 227 A ASN 307 ? ASN 'GLYCOSYLATION SITE' # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details tetrameric _pdbx_struct_assembly.oligomeric_count 4 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1,2,3,4 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J,K # loop_ _pdbx_struct_assembly_prop.biol_id _pdbx_struct_assembly_prop.type _pdbx_struct_assembly_prop.value _pdbx_struct_assembly_prop.details 1 'ABSA (A^2)' 21750 ? 1 MORE 4 ? 1 'SSA (A^2)' 46500 ? # loop_ _pdbx_struct_oper_list.id _pdbx_struct_oper_list.type _pdbx_struct_oper_list.name _pdbx_struct_oper_list.symmetry_operation _pdbx_struct_oper_list.matrix[1][1] _pdbx_struct_oper_list.matrix[1][2] _pdbx_struct_oper_list.matrix[1][3] _pdbx_struct_oper_list.vector[1] _pdbx_struct_oper_list.matrix[2][1] _pdbx_struct_oper_list.matrix[2][2] _pdbx_struct_oper_list.matrix[2][3] _pdbx_struct_oper_list.vector[2] _pdbx_struct_oper_list.matrix[3][1] _pdbx_struct_oper_list.matrix[3][2] _pdbx_struct_oper_list.matrix[3][3] _pdbx_struct_oper_list.vector[3] 1 'identity operation' 1_555 x,y,z 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 2 'crystal symmetry operation' 2_555 -x,-y,z -1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 3 'crystal symmetry operation' 3_555 -y,x,z 0.0000000000 -1.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 4 'crystal symmetry operation' 4_555 y,-x,z 0.0000000000 1.0000000000 0.0000000000 0.0000000000 -1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 # loop_ _pdbx_struct_special_symmetry.id _pdbx_struct_special_symmetry.PDB_model_num _pdbx_struct_special_symmetry.auth_asym_id _pdbx_struct_special_symmetry.auth_comp_id _pdbx_struct_special_symmetry.auth_seq_id _pdbx_struct_special_symmetry.PDB_ins_code _pdbx_struct_special_symmetry.label_asym_id _pdbx_struct_special_symmetry.label_comp_id _pdbx_struct_special_symmetry.label_seq_id 1 1 A CA 508 ? I CA . 2 1 A HOH 627 ? K HOH . 3 1 A HOH 635 ? K HOH . 4 1 A HOH 866 ? K HOH . 5 1 A HOH 993 ? K HOH . # loop_ _pdbx_struct_conn_angle.id _pdbx_struct_conn_angle.ptnr1_label_atom_id _pdbx_struct_conn_angle.ptnr1_label_alt_id _pdbx_struct_conn_angle.ptnr1_label_asym_id _pdbx_struct_conn_angle.ptnr1_label_comp_id _pdbx_struct_conn_angle.ptnr1_label_seq_id _pdbx_struct_conn_angle.ptnr1_auth_atom_id _pdbx_struct_conn_angle.ptnr1_auth_asym_id _pdbx_struct_conn_angle.ptnr1_auth_comp_id _pdbx_struct_conn_angle.ptnr1_auth_seq_id _pdbx_struct_conn_angle.ptnr1_PDB_ins_code _pdbx_struct_conn_angle.ptnr1_symmetry _pdbx_struct_conn_angle.ptnr2_label_atom_id _pdbx_struct_conn_angle.ptnr2_label_alt_id _pdbx_struct_conn_angle.ptnr2_label_asym_id _pdbx_struct_conn_angle.ptnr2_label_comp_id _pdbx_struct_conn_angle.ptnr2_label_seq_id _pdbx_struct_conn_angle.ptnr2_auth_atom_id _pdbx_struct_conn_angle.ptnr2_auth_asym_id _pdbx_struct_conn_angle.ptnr2_auth_comp_id _pdbx_struct_conn_angle.ptnr2_auth_seq_id _pdbx_struct_conn_angle.ptnr2_PDB_ins_code _pdbx_struct_conn_angle.ptnr2_symmetry _pdbx_struct_conn_angle.ptnr3_label_atom_id _pdbx_struct_conn_angle.ptnr3_label_alt_id _pdbx_struct_conn_angle.ptnr3_label_asym_id _pdbx_struct_conn_angle.ptnr3_label_comp_id _pdbx_struct_conn_angle.ptnr3_label_seq_id _pdbx_struct_conn_angle.ptnr3_auth_atom_id _pdbx_struct_conn_angle.ptnr3_auth_asym_id _pdbx_struct_conn_angle.ptnr3_auth_comp_id _pdbx_struct_conn_angle.ptnr3_auth_seq_id _pdbx_struct_conn_angle.ptnr3_PDB_ins_code _pdbx_struct_conn_angle.ptnr3_symmetry _pdbx_struct_conn_angle.value _pdbx_struct_conn_angle.value_esd 1 O ? A ASP 213 ? A ASP 293 ? 1_555 CA ? H CA . ? A CA 507 ? 1_555 OD2 ? A ASP 243 ? A ASP 324 ? 1_555 89.4 ? 2 O ? A ASP 213 ? A ASP 293 ? 1_555 CA ? H CA . ? A CA 507 ? 1_555 O ? A GLY 217 ? A GLY 297 ? 1_555 90.3 ? 3 OD2 ? A ASP 243 ? A ASP 324 ? 1_555 CA ? H CA . ? A CA 507 ? 1_555 O ? A GLY 217 ? A GLY 297 ? 1_555 103.6 ? 4 O ? A ASP 213 ? A ASP 293 ? 1_555 CA ? H CA . ? A CA 507 ? 1_555 O ? A GLY 263 ? A GLY 345 ? 1_555 82.9 ? 5 OD2 ? A ASP 243 ? A ASP 324 ? 1_555 CA ? H CA . ? A CA 507 ? 1_555 O ? A GLY 263 ? A GLY 345 ? 1_555 155.9 ? 6 O ? A GLY 217 ? A GLY 297 ? 1_555 CA ? H CA . ? A CA 507 ? 1_555 O ? A GLY 263 ? A GLY 345 ? 1_555 99.2 ? 7 O ? A ASP 213 ? A ASP 293 ? 1_555 CA ? H CA . ? A CA 507 ? 1_555 O ? K HOH . ? A HOH 639 ? 1_555 157.9 ? 8 OD2 ? A ASP 243 ? A ASP 324 ? 1_555 CA ? H CA . ? A CA 507 ? 1_555 O ? K HOH . ? A HOH 639 ? 1_555 97.5 ? 9 O ? A GLY 217 ? A GLY 297 ? 1_555 CA ? H CA . ? A CA 507 ? 1_555 O ? K HOH . ? A HOH 639 ? 1_555 108.3 ? 10 O ? A GLY 263 ? A GLY 345 ? 1_555 CA ? H CA . ? A CA 507 ? 1_555 O ? K HOH . ? A HOH 639 ? 1_555 82.4 ? # 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 2013-11-13 2 'Structure model' 1 1 2018-03-21 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # _pdbx_audit_revision_group.ordinal 1 _pdbx_audit_revision_group.revision_ordinal 2 _pdbx_audit_revision_group.data_content_type 'Structure model' _pdbx_audit_revision_group.group 'Data collection' # _pdbx_audit_revision_category.ordinal 1 _pdbx_audit_revision_category.revision_ordinal 2 _pdbx_audit_revision_category.data_content_type 'Structure model' _pdbx_audit_revision_category.category diffrn_detector # _pdbx_audit_revision_item.ordinal 1 _pdbx_audit_revision_item.revision_ordinal 2 _pdbx_audit_revision_item.data_content_type 'Structure model' _pdbx_audit_revision_item.item '_diffrn_detector.pdbx_collection_date' # _pdbx_refine_tls.pdbx_refine_id 'X-RAY DIFFRACTION' _pdbx_refine_tls.id 1 _pdbx_refine_tls.details ? _pdbx_refine_tls.method refined _pdbx_refine_tls.origin_x -27.7455 _pdbx_refine_tls.origin_y 0.5775 _pdbx_refine_tls.origin_z 27.1938 _pdbx_refine_tls.T[1][1] 0.1118 _pdbx_refine_tls.T[2][2] 0.1315 _pdbx_refine_tls.T[3][3] 0.1605 _pdbx_refine_tls.T[1][2] 0.0005 _pdbx_refine_tls.T[1][3] 0.0414 _pdbx_refine_tls.T[2][3] 0.0383 _pdbx_refine_tls.L[1][1] 0.7460 _pdbx_refine_tls.L[2][2] 0.6345 _pdbx_refine_tls.L[3][3] 0.1275 _pdbx_refine_tls.L[1][2] -0.1901 _pdbx_refine_tls.L[1][3] 0.0717 _pdbx_refine_tls.L[2][3] 0.0102 _pdbx_refine_tls.S[1][1] 0.0420 _pdbx_refine_tls.S[1][2] -0.0474 _pdbx_refine_tls.S[1][3] -0.0455 _pdbx_refine_tls.S[2][1] 0.0358 _pdbx_refine_tls.S[2][2] 0.0146 _pdbx_refine_tls.S[2][3] 0.3899 _pdbx_refine_tls.S[3][1] -0.0140 _pdbx_refine_tls.S[3][2] -0.0266 _pdbx_refine_tls.S[3][3] 0.0121 # _pdbx_refine_tls_group.pdbx_refine_id 'X-RAY DIFFRACTION' _pdbx_refine_tls_group.id 1 _pdbx_refine_tls_group.refine_tls_id 1 _pdbx_refine_tls_group.beg_auth_asym_id ? _pdbx_refine_tls_group.beg_auth_seq_id ? _pdbx_refine_tls_group.beg_label_asym_id ? _pdbx_refine_tls_group.beg_label_seq_id ? _pdbx_refine_tls_group.end_auth_asym_id ? _pdbx_refine_tls_group.end_auth_seq_id ? _pdbx_refine_tls_group.end_label_asym_id ? _pdbx_refine_tls_group.end_label_seq_id ? _pdbx_refine_tls_group.selection ? _pdbx_refine_tls_group.selection_details ALL # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal GUGI 'data collection' . ? 1 PHASER phasing . ? 2 PHENIX refinement '(phenix.refine: 1.5_2)' ? 3 HKL-2000 'data reduction' . ? 4 HKL-2000 'data scaling' . ? 5 # loop_ _pdbx_validate_rmsd_bond.id _pdbx_validate_rmsd_bond.PDB_model_num _pdbx_validate_rmsd_bond.auth_atom_id_1 _pdbx_validate_rmsd_bond.auth_asym_id_1 _pdbx_validate_rmsd_bond.auth_comp_id_1 _pdbx_validate_rmsd_bond.auth_seq_id_1 _pdbx_validate_rmsd_bond.PDB_ins_code_1 _pdbx_validate_rmsd_bond.label_alt_id_1 _pdbx_validate_rmsd_bond.auth_atom_id_2 _pdbx_validate_rmsd_bond.auth_asym_id_2 _pdbx_validate_rmsd_bond.auth_comp_id_2 _pdbx_validate_rmsd_bond.auth_seq_id_2 _pdbx_validate_rmsd_bond.PDB_ins_code_2 _pdbx_validate_rmsd_bond.label_alt_id_2 _pdbx_validate_rmsd_bond.bond_value _pdbx_validate_rmsd_bond.bond_target_value _pdbx_validate_rmsd_bond.bond_deviation _pdbx_validate_rmsd_bond.bond_standard_deviation _pdbx_validate_rmsd_bond.linker_flag 1 1 CB A GLU 276 ? ? CG A GLU 276 ? ? 1.402 1.517 -0.115 0.019 N 2 1 CD A GLU 276 ? ? OE1 A GLU 276 ? ? 1.164 1.252 -0.088 0.011 N # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 PHE A 100 ? ? -111.66 -85.36 2 1 ASP A 125 ? ? -106.78 -156.71 3 1 ASP A 200 ? ? -158.75 44.16 4 1 THR A 225 ? ? -141.81 -158.21 5 1 LYS A 272 A ? -124.11 -57.00 6 1 ILE A 284 ? ? 67.43 -68.93 7 1 CYS A 291 ? ? -127.37 -163.15 8 1 TRP A 295 ? ? -115.03 -81.84 9 1 ASN A 306 ? ? -112.33 -166.11 10 1 SER A 319 ? ? -37.46 121.65 11 1 SER A 332 ? ? -119.93 -150.78 12 1 GLU A 381 ? ? 55.56 19.87 13 1 SER A 404 ? ? -115.05 -130.01 14 1 ALA A 414 ? ? -103.05 -130.36 15 1 ASN A 433 ? ? 80.20 -5.27 16 1 ASP A 450 ? ? -83.14 39.41 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 N-ACETYL-D-GLUCOSAMINE NAG 3 ALPHA-L-FUCOSE FUC 4 'CALCIUM ION' CA 5 ZANAMIVIR ZMR 6 water HOH #