data_1NN2 # _entry.id 1NN2 # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.279 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 1NN2 WWPDB D_1000175337 # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 1NN2 _pdbx_database_status.recvd_initial_deposition_date 1991-03-28 _pdbx_database_status.deposit_site ? _pdbx_database_status.process_site ? _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.SG_entry ? _pdbx_database_status.pdb_format_compatible Y _pdbx_database_status.status_code_cs ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Varghese, J.N.' 1 'Colman, P.M.' 2 # _citation.id primary _citation.title 'Three-dimensional structure of the neuraminidase of influenza virus A/Tokyo/3/67 at 2.2 A resolution.' _citation.journal_abbrev J.Mol.Biol. _citation.journal_volume 221 _citation.page_first 473 _citation.page_last 486 _citation.year 1991 _citation.journal_id_ASTM JMOBAK _citation.country UK _citation.journal_id_ISSN 0022-2836 _citation.journal_id_CSD 0070 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 1920428 _citation.pdbx_database_id_DOI '10.1016/0022-2836(91)80068-6' # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Varghese, J.N.' 1 primary 'Colman, P.M.' 2 # _cell.entry_id 1NN2 _cell.length_a 139.600 _cell.length_b 139.600 _cell.length_c 191.000 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 90.00 _cell.Z_PDB 16 _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 1NN2 _symmetry.space_group_name_H-M 'I 4 2 2' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 97 _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 43141.012 1 3.2.1.18 ? ? ? 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 9 ? ? ? ? 3 non-polymer man BETA-D-MANNOSE 180.156 2 ? ? ? ? 4 non-polymer man ALPHA-D-MANNOSE 180.156 4 ? ? ? ? 5 non-polymer man '2-(ACETYLAMINO)-2-DEOXY-4-O-SULFO-ALPHA-D-GALACTOPYRANOSE' 301.271 1 ? ? ? ? 6 non-polymer man BETA-L-FUCOSE 164.156 1 ? ? ? ? 7 non-polymer syn 'CALCIUM ION' 40.078 1 ? ? ? ? 8 water nat water 18.015 86 ? ? ? ? # _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 ;VEYRNWSKPQCQITGFAPFSKDNSIRLSAGGDIWVTREPYVSCDPVKCYQFALGQGTTLDNKHSNDTVHDRIPHRTLLMN ELGVPFHLGTRQVCIAWSSSSCHDGKAWLHVCITGDDKNATASFIYDGRLVDSIGSWSQNILRTQESECVCINGTCTVVM TDGSASGRADTRILFIEEGKIVHISPLAGSAQHVEECSCYPRYPGVRCICRDNWKGSNRPVVDINMEDYSIDSSYVCSGL VGDTPRNDDRSSNSNCRDPNNERGTQGVKGWAFDNGNDLWMGRTISKDLRSGYETFKVIGGWSTPNSKSQINRQVIVDSD NRSGYSGIFSVEGKSCINRCFYVELIRGRKQETRVWWTSNSIVVFCGTSGTYGTGSWPDGANINFMPI ; _entity_poly.pdbx_seq_one_letter_code_can ;VEYRNWSKPQCQITGFAPFSKDNSIRLSAGGDIWVTREPYVSCDPVKCYQFALGQGTTLDNKHSNDTVHDRIPHRTLLMN ELGVPFHLGTRQVCIAWSSSSCHDGKAWLHVCITGDDKNATASFIYDGRLVDSIGSWSQNILRTQESECVCINGTCTVVM TDGSASGRADTRILFIEEGKIVHISPLAGSAQHVEECSCYPRYPGVRCICRDNWKGSNRPVVDINMEDYSIDSSYVCSGL VGDTPRNDDRSSNSNCRDPNNERGTQGVKGWAFDNGNDLWMGRTISKDLRSGYETFKVIGGWSTPNSKSQINRQVIVDSD NRSGYSGIFSVEGKSCINRCFYVELIRGRKQETRVWWTSNSIVVFCGTSGTYGTGSWPDGANINFMPI ; _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 VAL n 1 2 GLU n 1 3 TYR n 1 4 ARG n 1 5 ASN n 1 6 TRP n 1 7 SER n 1 8 LYS n 1 9 PRO n 1 10 GLN n 1 11 CYS n 1 12 GLN n 1 13 ILE n 1 14 THR n 1 15 GLY n 1 16 PHE n 1 17 ALA n 1 18 PRO n 1 19 PHE n 1 20 SER n 1 21 LYS n 1 22 ASP n 1 23 ASN n 1 24 SER n 1 25 ILE n 1 26 ARG n 1 27 LEU n 1 28 SER n 1 29 ALA n 1 30 GLY n 1 31 GLY n 1 32 ASP n 1 33 ILE n 1 34 TRP 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 PRO n 1 46 VAL n 1 47 LYS n 1 48 CYS n 1 49 TYR n 1 50 GLN n 1 51 PHE n 1 52 ALA n 1 53 LEU n 1 54 GLY n 1 55 GLN n 1 56 GLY n 1 57 THR n 1 58 THR n 1 59 LEU n 1 60 ASP n 1 61 ASN n 1 62 LYS n 1 63 HIS n 1 64 SER n 1 65 ASN n 1 66 ASP n 1 67 THR n 1 68 VAL n 1 69 HIS n 1 70 ASP n 1 71 ARG n 1 72 ILE n 1 73 PRO n 1 74 HIS n 1 75 ARG n 1 76 THR n 1 77 LEU n 1 78 LEU n 1 79 MET n 1 80 ASN n 1 81 GLU n 1 82 LEU n 1 83 GLY n 1 84 VAL n 1 85 PRO n 1 86 PHE n 1 87 HIS n 1 88 LEU n 1 89 GLY n 1 90 THR n 1 91 ARG n 1 92 GLN n 1 93 VAL n 1 94 CYS n 1 95 ILE n 1 96 ALA n 1 97 TRP n 1 98 SER n 1 99 SER n 1 100 SER n 1 101 SER n 1 102 CYS n 1 103 HIS n 1 104 ASP n 1 105 GLY n 1 106 LYS n 1 107 ALA n 1 108 TRP n 1 109 LEU n 1 110 HIS n 1 111 VAL n 1 112 CYS n 1 113 ILE n 1 114 THR n 1 115 GLY n 1 116 ASP n 1 117 ASP n 1 118 LYS n 1 119 ASN n 1 120 ALA n 1 121 THR n 1 122 ALA n 1 123 SER n 1 124 PHE n 1 125 ILE n 1 126 TYR n 1 127 ASP n 1 128 GLY n 1 129 ARG n 1 130 LEU n 1 131 VAL n 1 132 ASP n 1 133 SER n 1 134 ILE n 1 135 GLY n 1 136 SER n 1 137 TRP n 1 138 SER n 1 139 GLN n 1 140 ASN n 1 141 ILE n 1 142 LEU n 1 143 ARG n 1 144 THR n 1 145 GLN n 1 146 GLU n 1 147 SER n 1 148 GLU n 1 149 CYS n 1 150 VAL n 1 151 CYS n 1 152 ILE n 1 153 ASN n 1 154 GLY n 1 155 THR n 1 156 CYS n 1 157 THR n 1 158 VAL n 1 159 VAL n 1 160 MET n 1 161 THR n 1 162 ASP n 1 163 GLY n 1 164 SER n 1 165 ALA n 1 166 SER n 1 167 GLY n 1 168 ARG n 1 169 ALA n 1 170 ASP n 1 171 THR n 1 172 ARG n 1 173 ILE n 1 174 LEU n 1 175 PHE n 1 176 ILE n 1 177 GLU n 1 178 GLU n 1 179 GLY n 1 180 LYS n 1 181 ILE n 1 182 VAL n 1 183 HIS n 1 184 ILE n 1 185 SER n 1 186 PRO n 1 187 LEU n 1 188 ALA n 1 189 GLY n 1 190 SER n 1 191 ALA n 1 192 GLN n 1 193 HIS n 1 194 VAL n 1 195 GLU n 1 196 GLU n 1 197 CYS n 1 198 SER n 1 199 CYS n 1 200 TYR n 1 201 PRO n 1 202 ARG n 1 203 TYR n 1 204 PRO n 1 205 GLY n 1 206 VAL n 1 207 ARG n 1 208 CYS n 1 209 ILE n 1 210 CYS n 1 211 ARG n 1 212 ASP n 1 213 ASN n 1 214 TRP n 1 215 LYS n 1 216 GLY n 1 217 SER n 1 218 ASN n 1 219 ARG n 1 220 PRO n 1 221 VAL n 1 222 VAL n 1 223 ASP n 1 224 ILE n 1 225 ASN n 1 226 MET n 1 227 GLU n 1 228 ASP n 1 229 TYR n 1 230 SER n 1 231 ILE n 1 232 ASP n 1 233 SER n 1 234 SER n 1 235 TYR n 1 236 VAL n 1 237 CYS n 1 238 SER n 1 239 GLY n 1 240 LEU n 1 241 VAL n 1 242 GLY n 1 243 ASP n 1 244 THR n 1 245 PRO n 1 246 ARG n 1 247 ASN n 1 248 ASP n 1 249 ASP n 1 250 ARG n 1 251 SER n 1 252 SER n 1 253 ASN n 1 254 SER n 1 255 ASN n 1 256 CYS n 1 257 ARG n 1 258 ASP n 1 259 PRO n 1 260 ASN n 1 261 ASN n 1 262 GLU n 1 263 ARG n 1 264 GLY n 1 265 THR n 1 266 GLN n 1 267 GLY n 1 268 VAL n 1 269 LYS n 1 270 GLY n 1 271 TRP n 1 272 ALA n 1 273 PHE n 1 274 ASP n 1 275 ASN n 1 276 GLY n 1 277 ASN n 1 278 ASP n 1 279 LEU n 1 280 TRP n 1 281 MET n 1 282 GLY n 1 283 ARG n 1 284 THR n 1 285 ILE n 1 286 SER n 1 287 LYS n 1 288 ASP n 1 289 LEU n 1 290 ARG n 1 291 SER n 1 292 GLY n 1 293 TYR n 1 294 GLU n 1 295 THR n 1 296 PHE n 1 297 LYS n 1 298 VAL n 1 299 ILE n 1 300 GLY n 1 301 GLY n 1 302 TRP n 1 303 SER n 1 304 THR n 1 305 PRO n 1 306 ASN n 1 307 SER n 1 308 LYS n 1 309 SER n 1 310 GLN n 1 311 ILE n 1 312 ASN n 1 313 ARG n 1 314 GLN n 1 315 VAL n 1 316 ILE n 1 317 VAL n 1 318 ASP n 1 319 SER n 1 320 ASP n 1 321 ASN n 1 322 ARG n 1 323 SER n 1 324 GLY n 1 325 TYR n 1 326 SER n 1 327 GLY n 1 328 ILE n 1 329 PHE n 1 330 SER n 1 331 VAL n 1 332 GLU n 1 333 GLY n 1 334 LYS n 1 335 SER n 1 336 CYS n 1 337 ILE n 1 338 ASN n 1 339 ARG n 1 340 CYS n 1 341 PHE n 1 342 TYR n 1 343 VAL n 1 344 GLU n 1 345 LEU n 1 346 ILE n 1 347 ARG n 1 348 GLY n 1 349 ARG n 1 350 LYS n 1 351 GLN n 1 352 GLU n 1 353 THR n 1 354 ARG n 1 355 VAL n 1 356 TRP 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 VAL n 1 365 PHE n 1 366 CYS n 1 367 GLY n 1 368 THR n 1 369 SER n 1 370 GLY n 1 371 THR n 1 372 TYR n 1 373 GLY n 1 374 THR n 1 375 GLY n 1 376 SER n 1 377 TRP n 1 378 PRO n 1 379 ASP n 1 380 GLY n 1 381 ALA n 1 382 ASN n 1 383 ILE n 1 384 ASN n 1 385 PHE n 1 386 MET n 1 387 PRO n 1 388 ILE 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 ? _entity_src_gen.gene_src_species ? _entity_src_gen.gene_src_strain 'A/Tokyo/3/1967(H2N2)' _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 (A/Tokyo/3/1967(H2N2))' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 380960 _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 ? _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 NRAM_IATOK _struct_ref.entity_id 1 _struct_ref.pdbx_db_accession P06820 _struct_ref.pdbx_align_begin 1 _struct_ref.pdbx_seq_one_letter_code ;MNPNQKIITIGSVSLTIATVCFLMQIAILVTTVTLHFKQHECDSPASNQVMPCEPIIIERNITEIVYLNNTTIEKEICPK VVEYRNWSKPQCQITGFAPFSKDNSIRLSAGGDIWVTREPYVSCDPVKCYQFALGQGTTLDNKHSNDTVHDRIPHRTLLM NELGVPFHLGTRQVCIAWSSSSCHDGKAWLHVCITGDDKNATASFIYDGRLVDSIGSWSQNILRTQESECVCINGTCTVV MTDGSASGRADTRILFIEEGKIVHISPLAGSAQHVEECSCYPRYPGVRCICRDNWKGSNRPVVDINMEDYSIDSSYVCSG LVGDTPRNDDRSSNSNCRNPNNERGTQGVKGWAFDNGNDLWMGRTISKDLRSGYETFKVIGGWSTPNSKSQINRQVIVDS DNRSGYSGIFSVEGKSCINRCFYVELIRGRKQETRVWWTSNSIVVFCGTSGTYGTGSWPDGANINFMPI ; _struct_ref.pdbx_db_isoform ? # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 1NN2 _struct_ref_seq.pdbx_strand_id A _struct_ref_seq.seq_align_beg 1 _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 P06820 _struct_ref_seq.db_align_beg 82 _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 82 _struct_ref_seq.pdbx_auth_seq_align_end 469 # _struct_ref_seq_dif.align_id 1 _struct_ref_seq_dif.pdbx_pdb_id_code 1NN2 _struct_ref_seq_dif.mon_id ASP _struct_ref_seq_dif.pdbx_pdb_strand_id A _struct_ref_seq_dif.seq_num 258 _struct_ref_seq_dif.pdbx_pdb_ins_code ? _struct_ref_seq_dif.pdbx_seq_db_name UNP _struct_ref_seq_dif.pdbx_seq_db_accession_code P06820 _struct_ref_seq_dif.db_mon_id ASN _struct_ref_seq_dif.pdbx_seq_db_seq_num 339 _struct_ref_seq_dif.details CONFLICT _struct_ref_seq_dif.pdbx_auth_seq_num 339 _struct_ref_seq_dif.pdbx_ordinal 1 # 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 BMA D-saccharide . BETA-D-MANNOSE ? 'C6 H12 O6' 180.156 CA non-polymer . 'CALCIUM ION' ? 'Ca 2' 40.078 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 FUL L-saccharide . BETA-L-FUCOSE 6-DEOXY-BETA-L-GALACTOSE '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 MAN D-saccharide . ALPHA-D-MANNOSE ? 'C6 H12 O6' 180.156 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 NGK non-polymer . '2-(ACETYLAMINO)-2-DEOXY-4-O-SULFO-ALPHA-D-GALACTOPYRANOSE' ? 'C8 H15 N O9 S' 301.271 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 # _exptl.entry_id 1NN2 _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number ? # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 5.39 _exptl_crystal.density_percent_sol 77.19 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _diffrn.id 1 _diffrn.ambient_temp ? _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l ? _diffrn_radiation.monochromator ? _diffrn_radiation.pdbx_diffrn_protocol ? _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength . _diffrn_radiation_wavelength.wt 1.0 # _refine.entry_id 1NN2 _refine.ls_number_reflns_obs ? _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F ? _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 6.0 _refine.ls_d_res_high 2.2 _refine.ls_percent_reflns_obs ? _refine.ls_R_factor_obs ? _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.21 _refine.ls_R_factor_R_free ? _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free ? _refine.ls_number_reflns_R_free ? _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.B_iso_mean ? _refine.aniso_B[1][1] ? _refine.aniso_B[2][2] ? _refine.aniso_B[3][3] ? _refine.aniso_B[1][2] ? _refine.aniso_B[1][3] ? _refine.aniso_B[2][3] ? _refine.solvent_model_details ? _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_ls_cross_valid_method ? _refine.details ? _refine.pdbx_starting_model ? _refine.pdbx_method_to_determine_struct ? _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values ? _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 ? _refine.overall_SU_B ? _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.ls_redundancy_reflns_obs ? _refine.pdbx_overall_phase_error ? _refine.B_iso_min ? _refine.B_iso_max ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.pdbx_solvent_vdw_probe_radii ? _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii ? _refine.overall_SU_R_Cruickshank_DPI ? _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_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 3022 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 221 _refine_hist.number_atoms_solvent 86 _refine_hist.number_atoms_total 3329 _refine_hist.d_res_high 2.2 _refine_hist.d_res_low 6.0 # 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_refine_id _refine_ls_restr.pdbx_restraint_function x_bond_d 0.020 ? ? ? 'X-RAY DIFFRACTION' ? x_bond_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? x_bond_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? x_angle_d ? ? ? ? 'X-RAY DIFFRACTION' ? x_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? x_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? x_angle_deg 3.9 ? ? ? 'X-RAY DIFFRACTION' ? x_angle_deg_na ? ? ? ? 'X-RAY DIFFRACTION' ? x_angle_deg_prot ? ? ? ? 'X-RAY DIFFRACTION' ? x_dihedral_angle_d ? ? ? ? 'X-RAY DIFFRACTION' ? x_dihedral_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? x_dihedral_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? x_improper_angle_d ? ? ? ? 'X-RAY DIFFRACTION' ? x_improper_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? x_improper_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? x_mcbond_it ? ? ? ? 'X-RAY DIFFRACTION' ? x_mcangle_it ? ? ? ? 'X-RAY DIFFRACTION' ? x_scbond_it ? ? ? ? 'X-RAY DIFFRACTION' ? x_scangle_it ? ? ? ? 'X-RAY DIFFRACTION' ? # _struct.entry_id 1NN2 _struct.title 'THREE-DIMENSIONAL STRUCTURE OF THE NEURAMINIDASE OF INFLUENZA VIRUS A(SLASH)TOKYO(SLASH)3(SLASH)67 AT 2.2 ANGSTROMS RESOLUTION' _struct.pdbx_descriptor 'NEURAMINIDASE (E.C.3.2.1.18)' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 1NN2 _struct_keywords.pdbx_keywords 'HYDROLASE (O-GLYCOSYL)' _struct_keywords.text 'HYDROLASE (O-GLYCOSYL)' # 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 2 ? E N N 2 ? F N N 3 ? G N N 4 ? H N N 2 ? I N N 5 ? J N N 6 ? K N N 2 ? L N N 2 ? M N N 3 ? N N N 4 ? O N N 4 ? P N N 4 ? Q N N 2 ? R N N 2 ? S N N 7 ? T N N 8 ? # _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 ASN A 23 ? SER A 28 ? ASN A 104 SER A 109 1 ? 6 HELX_P HELX_P2 2 ASN A 61 ? ASN A 65 ? ASN A 142 ASN A 146 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 336 SG ? ? A CYS 92 A CYS 417 1_555 ? ? ? ? ? ? ? 2.023 ? disulf2 disulf ? ? A CYS 43 SG ? ? ? 1_555 A CYS 48 SG ? ? A CYS 124 A CYS 129 1_555 ? ? ? ? ? ? ? 2.000 ? disulf3 disulf ? ? A CYS 94 SG ? ? ? 1_555 A CYS 112 SG ? ? A CYS 175 A CYS 193 1_555 ? ? ? ? ? ? ? 2.014 ? disulf4 disulf ? ? A CYS 102 SG ? ? ? 1_555 A CYS 149 SG ? ? A CYS 183 A CYS 230 1_555 ? ? ? ? ? ? ? 2.009 ? disulf5 disulf ? ? A CYS 151 SG ? ? ? 1_555 A CYS 156 SG ? ? A CYS 232 A CYS 237 1_555 ? ? ? ? ? ? ? 2.032 ? disulf6 disulf ? ? A CYS 197 SG ? ? ? 1_555 A CYS 210 SG ? ? A CYS 278 A CYS 291 1_555 ? ? ? ? ? ? ? 2.020 ? disulf7 disulf ? ? A CYS 199 SG ? ? ? 1_555 A CYS 208 SG ? ? A CYS 280 A CYS 289 1_555 ? ? ? ? ? ? ? 2.007 ? disulf8 disulf ? ? A CYS 237 SG ? ? ? 1_555 A CYS 256 SG ? ? A CYS 318 A CYS 337 1_555 ? ? ? ? ? ? ? 2.022 ? disulf9 disulf ? ? A CYS 340 SG ? ? ? 1_555 A CYS 366 SG ? ? A CYS 421 A CYS 447 1_555 ? ? ? ? ? ? ? 2.032 ? covale1 covale ? ? A ASN 5 ND2 ? ? ? 1_555 B NAG . C1 ? A A ASN 86 A NAG 470 1_555 ? ? ? ? ? ? ? 1.452 ? covale2 covale ? ? A ASN 65 ND2 ? ? ? 1_555 D NAG . C1 ? A A ASN 146 A NAG 472 1_555 ? ? ? ? ? ? ? 1.458 ? covale3 covale ? ? A ASN 119 ND2 ? ? ? 1_555 K NAG . C1 ? A A ASN 200 A NAG 479 1_555 ? ? ? ? ? ? ? 1.464 ? covale4 covale ? ? B NAG . O4 ? A ? 1_555 C NAG . C1 ? B A NAG 470 A NAG 471 1_555 ? ? ? ? ? ? ? 1.430 ? covale5 covale ? ? D NAG . O4 ? A ? 1_555 E NAG . C1 ? B A NAG 472 A NAG 473 1_555 ? ? ? ? ? ? ? 1.418 ? covale6 covale ? ? D NAG . O6 ? A ? 1_555 J FUL . C1 ? I A NAG 472 A FUL 478 1_555 ? ? ? ? ? ? ? 1.487 ? covale7 covale ? ? E NAG . O4 ? B ? 1_555 F BMA . C1 ? C A NAG 473 A BMA 474 1_555 ? ? ? ? ? ? ? 1.445 ? covale8 covale ? ? F BMA . O3 ? C ? 1_555 G MAN . C1 ? D A BMA 474 A MAN 475 1_555 ? ? ? ? ? ? ? 1.442 ? covale9 covale ? ? G MAN . O4 ? D ? 1_555 H NAG . C1 ? E A MAN 475 A NAG 476 1_555 ? ? ? ? ? ? ? 1.434 ? covale10 covale ? ? H NAG . O4 ? E ? 1_555 I NGK . C1 ? F A NAG 476 A NGK 477 1_555 ? ? ? ? ? ? ? 1.463 ? covale11 covale ? ? K NAG . O4 ? A ? 1_555 L NAG . C1 ? B A NAG 479 A NAG 480 1_555 ? ? ? ? ? ? ? 1.435 ? covale12 covale ? ? L NAG . O4 ? B ? 1_555 M BMA . C1 ? C A NAG 480 A BMA 481 1_555 ? ? ? ? ? ? ? 1.413 ? covale13 covale ? ? M BMA . O3 ? C ? 1_555 N MAN . C1 ? D A BMA 481 A MAN 482 1_555 ? ? ? ? ? ? ? 1.402 ? covale14 covale ? ? M BMA . O6 ? C ? 1_555 P MAN . C1 ? F A BMA 481 A MAN 484 1_555 ? ? ? ? ? ? ? 1.463 ? covale15 covale ? ? N MAN . O2 ? D ? 1_555 O MAN . C1 ? E A MAN 482 A MAN 483 1_555 ? ? ? ? ? ? ? 1.443 ? metalc1 metalc ? ? S CA . CA ? ? ? 1_555 A ASP 212 O ? ? A CA 1 A ASP 293 1_555 ? ? ? ? ? ? ? 2.109 ? metalc2 metalc ? ? S CA . CA ? ? ? 1_555 A GLY 216 O ? ? A CA 1 A GLY 297 1_555 ? ? ? ? ? ? ? 1.662 ? metalc3 metalc ? ? S CA . CA ? ? ? 1_555 A GLN 266 O ? ? A CA 1 A GLN 347 1_555 ? ? ? ? ? ? ? 1.762 ? metalc4 metalc ? ? S CA . CA ? ? ? 1_555 A GLY 264 O ? ? A CA 1 A GLY 345 1_555 ? ? ? ? ? ? ? 1.665 ? metalc5 metalc ? ? S CA . CA ? ? ? 1_555 A ASP 243 OD2 ? ? A CA 1 A ASP 324 1_555 ? ? ? ? ? ? ? 3.364 ? covale16 covale ? ? D NAG . O6 ? A ? 1_555 J FUL . O5 ? I A NAG 472 A FUL 478 1_555 ? ? ? ? ? ? ? 2.002 ? covale17 covale ? ? H NAG . O4 ? E ? 1_555 I NGK . O5 ? F A NAG 476 A NGK 477 1_555 ? ? ? ? ? ? ? 1.934 ? # 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 TYR 203 A . ? TYR 284 A PRO 204 A ? PRO 285 A 1 -1.02 2 THR 244 A . ? THR 325 A PRO 245 A ? PRO 326 A 1 -4.53 3 ARG 349 A . ? ARG 430 A LYS 350 A ? LYS 431 A 1 0.09 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 4 ? B ? 4 ? C ? 4 ? D ? 4 ? 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 D 3 4 ? 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 ? THR A 368 ? THR A 439 THR A 449 A 3 ILE A 337 ? GLY A 348 ? ILE A 418 GLY A 429 A 4 SER A 326 ? GLU A 332 ? SER A 407 GLU A 413 B 1 TRP A 34 ? CYS A 43 ? TRP A 115 CYS A 124 B 2 CYS A 48 ? THR A 58 ? CYS A 129 THR A 139 B 3 THR A 76 ? GLU A 81 ? THR A 157 GLU A 162 B 4 ARG A 91 ? ILE A 95 ? ARG A 172 ILE A 176 C 1 SER A 98 ? HIS A 103 ? SER A 179 HIS A 184 C 2 TRP A 108 ? ASP A 116 ? TRP A 189 ASP A 197 C 3 ASN A 119 ? TYR A 126 ? ASN A 200 TYR A 207 C 4 ARG A 129 ? GLY A 135 ? ARG A 210 GLY A 216 D 1 LYS A 180 ? PRO A 186 ? LYS A 261 PRO A 267 D 2 ALA A 169 ? GLU A 177 ? ALA A 250 GLU A 258 D 3 THR A 155 ? GLY A 163 ? THR A 236 GLY A 244 D 4 ARG A 143 ? THR A 144 ? ARG A 224 THR A 225 E 1 LYS A 180 ? PRO A 186 ? LYS A 261 PRO A 267 E 2 ALA A 169 ? GLU A 177 ? ALA A 250 GLU A 258 E 3 THR A 155 ? GLY A 163 ? THR A 236 GLY A 244 E 4 VAL A 150 ? ILE A 152 ? VAL A 231 ILE A 233 F 1 GLU A 195 ? ARG A 202 ? GLU A 276 ARG A 283 F 2 GLY A 205 ? ARG A 211 ? GLY A 286 ARG A 292 F 3 PRO A 220 ? ASN A 225 ? PRO A 301 ASN A 306 F 4 ILE A 231 ? TYR A 235 ? ILE A 312 TYR A 316 G 1 ALA A 272 ? ASN A 275 ? ALA A 353 ASN A 356 G 2 ASP A 278 ? ARG A 283 ? ASP A 359 ARG A 364 G 3 SER A 291 ? ILE A 299 ? SER A 372 ILE A 380 G 4 SER A 309 ? ARG A 322 ? SER A 390 ARG 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 O SER A 20 ? O SER A 101 N VAL A 364 ? N VAL A 445 A 2 3 N GLY A 367 ? N GLY A 448 O ARG A 339 ? O ARG A 420 A 3 4 N TYR A 342 ? N TYR A 423 O GLY A 327 ? O GLY A 408 B 1 2 O SER A 42 ? O SER A 123 N TYR A 49 ? N TYR A 130 B 2 3 N GLY A 54 ? N GLY A 135 O THR A 76 ? O THR A 157 B 3 4 N MET A 79 ? N MET A 160 O ARG A 91 ? O ARG A 172 C 1 2 O CYS A 102 ? O CYS A 183 N LEU A 109 ? N LEU A 190 C 2 3 O ASP A 116 ? O ASP A 197 N ASN A 119 ? N ASN A 200 C 3 4 N TYR A 126 ? N TYR A 207 O ARG A 129 ? O ARG A 210 D 1 2 O SER A 185 ? O SER A 266 N ILE A 173 ? N ILE A 254 D 2 3 N ILE A 176 ? N ILE A 257 O CYS A 156 ? O CYS A 237 D 3 4 O THR A 161 ? O THR A 242 N ARG A 143 ? N ARG A 224 E 1 2 O SER A 185 ? O SER A 266 N ILE A 173 ? N ILE A 254 E 2 3 N ILE A 176 ? N ILE A 257 O CYS A 156 ? O CYS A 237 E 3 4 N THR A 157 ? N THR A 238 O VAL A 150 ? O VAL A 231 F 1 2 N ARG A 202 ? N ARG A 283 O GLY A 205 ? O GLY A 286 F 2 3 N CYS A 210 ? N CYS A 291 O PRO A 220 ? O PRO A 301 F 3 4 N ASP A 223 ? N ASP A 304 O ASP A 232 ? O ASP A 313 G 1 2 O ASN A 275 ? O ASN A 356 N ASP A 278 ? N ASP A 359 G 2 3 O ARG A 283 ? O ARG A 364 N GLU A 294 ? N GLU A 375 G 3 4 N ILE A 299 ? N ILE A 380 O SER A 309 ? O SER 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 NAG A 470A' AC2 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG A 472A' AC3 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE NAG A 473B' AC4 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE NGK A 477F' AC5 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE FUL A 478I' AC6 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE NAG A 479A' AC7 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE NAG A 480B' AC8 Software ? ? ? ? 8 'BINDING SITE FOR RESIDUE BMA A 481C' AC9 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE MAN A 482D' BC1 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE MAN A 483E' BC2 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE MAN A 484F' BC3 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE NAG A 485A' BC4 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE CA A 1' # 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 GLU A 2 ? GLU A 83 . ? 1_555 ? 2 AC1 5 ASN A 5 ? ASN A 86 . ? 1_555 ? 3 AC1 5 SER A 7 ? SER A 88 . ? 1_555 ? 4 AC1 5 TYR A 203 ? TYR A 284 . ? 1_555 ? 5 AC1 5 NAG Q . A NAG A 485 . ? 1_555 ? 6 AC2 4 ASN A 65 ? ASN A 146 . ? 1_555 ? 7 AC2 4 TRP A 356 ? TRP A 437 . ? 1_555 ? 8 AC2 4 NAG E . B NAG A 473 . ? 1_555 ? 9 AC2 4 FUL J . I FUL A 478 . ? 1_555 ? 10 AC3 1 NAG D . A NAG A 472 . ? 1_555 ? 11 AC4 5 GLU A 352 ? GLU A 433 . ? 7_556 ? 12 AC4 5 THR A 353 ? THR A 434 . ? 7_556 ? 13 AC4 5 ARG A 354 ? ARG A 435 . ? 7_556 ? 14 AC4 5 ASN A 384 ? ASN A 465 . ? 7_556 ? 15 AC4 5 HOH T . ? HOH A 488 . ? 7_556 ? 16 AC5 3 ASN A 382 ? ASN A 463 . ? 4_565 ? 17 AC5 3 PHE A 385 ? PHE A 466 . ? 4_565 ? 18 AC5 3 NAG D . A NAG A 472 . ? 1_555 ? 19 AC6 6 ASN A 119 ? ASN A 200 . ? 1_555 ? 20 AC6 6 TYR A 372 ? TYR A 453 . ? 4_565 ? 21 AC6 6 GLY A 373 ? GLY A 454 . ? 4_565 ? 22 AC6 6 THR A 374 ? THR A 455 . ? 4_565 ? 23 AC6 6 NAG L . B NAG A 480 . ? 1_555 ? 24 AC6 6 HOH T . ? HOH A 565 . ? 4_565 ? 25 AC7 7 ASN A 312 ? ASN A 393 . ? 4_565 ? 26 AC7 7 ARG A 313 ? ARG A 394 . ? 4_565 ? 27 AC7 7 TYR A 372 ? TYR A 453 . ? 4_565 ? 28 AC7 7 NAG K . A NAG A 479 . ? 1_555 ? 29 AC7 7 BMA M . C BMA A 481 . ? 1_555 ? 30 AC7 7 MAN N . D MAN A 482 . ? 1_555 ? 31 AC7 7 HOH T . ? HOH A 557 . ? 4_565 ? 32 AC8 8 GLN A 310 ? GLN A 391 . ? 4_565 ? 33 AC8 8 ILE A 311 ? ILE A 392 . ? 4_565 ? 34 AC8 8 ASN A 312 ? ASN A 393 . ? 4_565 ? 35 AC8 8 ARG A 313 ? ARG A 394 . ? 4_565 ? 36 AC8 8 NAG L . B NAG A 480 . ? 1_555 ? 37 AC8 8 MAN N . D MAN A 482 . ? 1_555 ? 38 AC8 8 MAN O . E MAN A 483 . ? 1_555 ? 39 AC8 8 MAN P . F MAN A 484 . ? 1_555 ? 40 AC9 5 GLN A 310 ? GLN A 391 . ? 4_565 ? 41 AC9 5 NAG L . B NAG A 480 . ? 1_555 ? 42 AC9 5 BMA M . C BMA A 481 . ? 1_555 ? 43 AC9 5 MAN O . E MAN A 483 . ? 1_555 ? 44 AC9 5 HOH T . ? HOH A 550 . ? 4_565 ? 45 BC1 2 BMA M . C BMA A 481 . ? 1_555 ? 46 BC1 2 MAN N . D MAN A 482 . ? 1_555 ? 47 BC2 1 BMA M . C BMA A 481 . ? 1_555 ? 48 BC3 5 ILE A 152 ? ILE A 233 . ? 1_555 ? 49 BC3 5 ASN A 153 ? ASN A 234 . ? 1_555 ? 50 BC3 5 TYR A 203 ? TYR A 284 . ? 1_555 ? 51 BC3 5 PRO A 204 ? PRO A 285 . ? 1_555 ? 52 BC3 5 NAG B . A NAG A 470 . ? 1_555 ? 53 BC4 5 ASP A 212 ? ASP A 293 . ? 1_555 ? 54 BC4 5 GLY A 216 ? GLY A 297 . ? 1_555 ? 55 BC4 5 ASP A 243 ? ASP A 324 . ? 1_555 ? 56 BC4 5 GLY A 264 ? GLY A 345 . ? 1_555 ? 57 BC4 5 GLN A 266 ? GLN A 347 . ? 1_555 ? # _database_PDB_matrix.entry_id 1NN2 _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 1NN2 _atom_sites.fract_transf_matrix[1][1] 0.007163 _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] 0.007163 _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] 0.005236 _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_sites_footnote.id _atom_sites_footnote.text 1 'RESIDUES 285 AND 326 ARE CIS PROLINES.' 2 'A NON-PROLINE CIS PEPTIDE BETWEEN RESIDUES 430 AND 431 HAS BEEN POSITIVELY IDENTIFIED.' # loop_ _atom_type.symbol C CA H 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 . VAL A 1 1 ? 78.394 77.888 32.917 1.00 60.00 ? 82 VAL A N 1 ATOM 2 C CA . VAL A 1 1 ? 78.483 78.962 33.887 1.00 59.50 ? 82 VAL A CA 1 ATOM 3 C C . VAL A 1 1 ? 79.519 79.847 33.191 1.00 58.52 ? 82 VAL A C 1 ATOM 4 O O . VAL A 1 1 ? 80.164 79.399 32.236 1.00 58.57 ? 82 VAL A O 1 ATOM 5 C CB . VAL A 1 1 ? 79.045 78.500 35.275 1.00 60.03 ? 82 VAL A CB 1 ATOM 6 C CG1 . VAL A 1 1 ? 78.425 79.430 36.314 1.00 61.06 ? 82 VAL A CG1 1 ATOM 7 C CG2 . VAL A 1 1 ? 78.721 77.059 35.633 1.00 60.24 ? 82 VAL A CG2 1 ATOM 8 H H1 . VAL A 1 1 ? 79.392 77.634 32.733 1.00 0.00 ? 82 VAL A H1 1 ATOM 9 H H2 . VAL A 1 1 ? 77.830 77.077 33.220 1.00 0.00 ? 82 VAL A H2 1 ATOM 10 H H3 . VAL A 1 1 ? 78.062 78.296 32.022 1.00 0.00 ? 82 VAL A H3 1 ATOM 11 N N . GLU A 1 2 ? 79.707 81.062 33.674 1.00 56.78 ? 83 GLU A N 1 ATOM 12 C CA . GLU A 1 2 ? 80.638 82.001 33.101 1.00 53.69 ? 83 GLU A CA 1 ATOM 13 C C . GLU A 1 2 ? 81.178 82.799 34.278 1.00 49.89 ? 83 GLU A C 1 ATOM 14 O O . GLU A 1 2 ? 80.617 82.747 35.388 1.00 50.31 ? 83 GLU A O 1 ATOM 15 C CB . GLU A 1 2 ? 79.845 82.825 32.172 1.00 57.03 ? 83 GLU A CB 1 ATOM 16 C CG . GLU A 1 2 ? 80.652 83.510 31.117 1.00 62.02 ? 83 GLU A CG 1 ATOM 17 C CD . GLU A 1 2 ? 79.668 84.152 30.154 1.00 64.72 ? 83 GLU A CD 1 ATOM 18 O OE1 . GLU A 1 2 ? 79.176 85.238 30.480 1.00 66.14 ? 83 GLU A OE1 1 ATOM 19 O OE2 . GLU A 1 2 ? 79.384 83.551 29.107 1.00 66.21 ? 83 GLU A OE2 1 ATOM 20 H H . GLU A 1 2 ? 79.302 81.349 34.527 1.00 0.00 ? 83 GLU A H 1 ATOM 21 N N . TYR A 1 3 ? 82.274 83.520 34.088 1.00 44.21 ? 84 TYR A N 1 ATOM 22 C CA . TYR A 1 3 ? 82.817 84.266 35.199 1.00 38.04 ? 84 TYR A CA 1 ATOM 23 C C . TYR A 1 3 ? 82.159 85.627 35.312 1.00 35.37 ? 84 TYR A C 1 ATOM 24 O O . TYR A 1 3 ? 81.733 86.238 34.322 1.00 33.98 ? 84 TYR A O 1 ATOM 25 C CB . TYR A 1 3 ? 84.274 84.487 35.022 1.00 36.29 ? 84 TYR A CB 1 ATOM 26 C CG . TYR A 1 3 ? 85.200 83.295 35.065 1.00 34.53 ? 84 TYR A CG 1 ATOM 27 C CD1 . TYR A 1 3 ? 85.472 82.674 36.264 1.00 34.41 ? 84 TYR A CD1 1 ATOM 28 C CD2 . TYR A 1 3 ? 85.852 82.930 33.914 1.00 33.28 ? 84 TYR A CD2 1 ATOM 29 C CE1 . TYR A 1 3 ? 86.424 81.691 36.325 1.00 32.71 ? 84 TYR A CE1 1 ATOM 30 C CE2 . TYR A 1 3 ? 86.803 81.947 33.970 1.00 33.17 ? 84 TYR A CE2 1 ATOM 31 C CZ . TYR A 1 3 ? 87.081 81.344 35.175 1.00 33.38 ? 84 TYR A CZ 1 ATOM 32 O OH . TYR A 1 3 ? 88.053 80.374 35.231 1.00 33.75 ? 84 TYR A OH 1 ATOM 33 H H . TYR A 1 3 ? 82.627 83.666 33.190 1.00 0.00 ? 84 TYR A H 1 ATOM 34 H HH . TYR A 1 3 ? 88.457 80.268 34.366 1.00 0.00 ? 84 TYR A HH 1 ATOM 35 N N . ARG A 1 4 ? 82.115 86.080 36.562 1.00 31.95 ? 85 ARG A N 1 ATOM 36 C CA . ARG A 1 4 ? 81.563 87.367 36.915 1.00 30.44 ? 85 ARG A CA 1 ATOM 37 C C . ARG A 1 4 ? 82.547 88.438 36.472 1.00 32.45 ? 85 ARG A C 1 ATOM 38 O O . ARG A 1 4 ? 83.764 88.313 36.680 1.00 35.17 ? 85 ARG A O 1 ATOM 39 C CB . ARG A 1 4 ? 81.364 87.477 38.431 1.00 27.22 ? 85 ARG A CB 1 ATOM 40 C CG . ARG A 1 4 ? 80.265 86.567 38.921 1.00 23.38 ? 85 ARG A CG 1 ATOM 41 C CD . ARG A 1 4 ? 79.517 87.054 40.140 1.00 21.40 ? 85 ARG A CD 1 ATOM 42 N NE . ARG A 1 4 ? 80.186 86.805 41.387 1.00 19.43 ? 85 ARG A NE 1 ATOM 43 C CZ . ARG A 1 4 ? 79.525 86.848 42.544 1.00 20.44 ? 85 ARG A CZ 1 ATOM 44 N NH1 . ARG A 1 4 ? 78.233 87.123 42.610 1.00 21.31 ? 85 ARG A NH1 1 ATOM 45 N NH2 . ARG A 1 4 ? 80.161 86.625 43.693 1.00 21.30 ? 85 ARG A NH2 1 ATOM 46 H H . ARG A 1 4 ? 82.538 85.542 37.258 1.00 0.00 ? 85 ARG A H 1 ATOM 47 H HE . ARG A 1 4 ? 81.146 86.609 41.393 1.00 0.00 ? 85 ARG A HE 1 ATOM 48 H HH11 . ARG A 1 4 ? 77.703 87.293 41.780 1.00 0.00 ? 85 ARG A HH11 1 ATOM 49 H HH12 . ARG A 1 4 ? 77.775 87.130 43.500 1.00 0.00 ? 85 ARG A HH12 1 ATOM 50 H HH21 . ARG A 1 4 ? 81.142 86.430 43.699 1.00 0.00 ? 85 ARG A HH21 1 ATOM 51 H HH22 . ARG A 1 4 ? 79.656 86.669 44.555 1.00 0.00 ? 85 ARG A HH22 1 ATOM 52 N N . ASN A 1 5 ? 82.100 89.475 35.767 1.00 33.78 ? 86 ASN A N 1 ATOM 53 C CA . ASN A 1 5 ? 83.002 90.543 35.350 1.00 34.54 ? 86 ASN A CA 1 ATOM 54 C C . ASN A 1 5 ? 82.548 91.877 35.923 1.00 33.14 ? 86 ASN A C 1 ATOM 55 O O . ASN A 1 5 ? 83.076 92.906 35.541 1.00 33.94 ? 86 ASN A O 1 ATOM 56 C CB . ASN A 1 5 ? 83.058 90.678 33.836 1.00 38.07 ? 86 ASN A CB 1 ATOM 57 C CG . ASN A 1 5 ? 81.724 91.023 33.195 1.00 42.87 ? 86 ASN A CG 1 ATOM 58 O OD1 . ASN A 1 5 ? 80.773 91.470 33.851 1.00 44.17 ? 86 ASN A OD1 1 ATOM 59 N ND2 . ASN A 1 5 ? 81.607 90.794 31.887 1.00 46.41 ? 86 ASN A ND2 1 ATOM 60 H H . ASN A 1 5 ? 81.172 89.488 35.453 1.00 0.00 ? 86 ASN A H 1 ATOM 61 H HD21 . ASN A 1 5 ? 82.404 90.473 31.413 1.00 0.00 ? 86 ASN A HD21 1 ATOM 62 N N . TRP A 1 6 ? 81.507 91.869 36.753 1.00 31.35 ? 87 TRP A N 1 ATOM 63 C CA . TRP A 1 6 ? 80.886 92.999 37.410 1.00 29.35 ? 87 TRP A CA 1 ATOM 64 C C . TRP A 1 6 ? 80.765 94.314 36.644 1.00 28.99 ? 87 TRP A C 1 ATOM 65 O O . TRP A 1 6 ? 80.814 95.393 37.245 1.00 28.78 ? 87 TRP A O 1 ATOM 66 C CB . TRP A 1 6 ? 81.621 93.220 38.705 1.00 28.13 ? 87 TRP A CB 1 ATOM 67 C CG . TRP A 1 6 ? 81.571 92.079 39.717 1.00 27.91 ? 87 TRP A CG 1 ATOM 68 C CD1 . TRP A 1 6 ? 82.626 91.203 39.804 1.00 28.01 ? 87 TRP A CD1 1 ATOM 69 C CD2 . TRP A 1 6 ? 80.614 91.846 40.683 1.00 27.58 ? 87 TRP A CD2 1 ATOM 70 N NE1 . TRP A 1 6 ? 82.359 90.432 40.826 1.00 27.97 ? 87 TRP A NE1 1 ATOM 71 C CE2 . TRP A 1 6 ? 81.173 90.782 41.375 1.00 27.63 ? 87 TRP A CE2 1 ATOM 72 C CE3 . TRP A 1 6 ? 79.392 92.363 41.089 1.00 27.34 ? 87 TRP A CE3 1 ATOM 73 C CZ2 . TRP A 1 6 ? 80.521 90.239 42.466 1.00 26.05 ? 87 TRP A CZ2 1 ATOM 74 C CZ3 . TRP A 1 6 ? 78.746 91.820 42.179 1.00 26.33 ? 87 TRP A CZ3 1 ATOM 75 C CH2 . TRP A 1 6 ? 79.309 90.765 42.861 1.00 26.33 ? 87 TRP A CH2 1 ATOM 76 H H . TRP A 1 6 ? 81.134 90.993 36.947 1.00 0.00 ? 87 TRP A H 1 ATOM 77 H HE1 . TRP A 1 6 ? 82.958 89.704 41.134 1.00 0.00 ? 87 TRP A HE1 1 ATOM 78 N N . SER A 1 7 ? 80.533 94.284 35.335 1.00 28.04 ? 88 SER A N 1 ATOM 79 C CA . SER A 1 7 ? 80.445 95.508 34.593 1.00 28.79 ? 88 SER A CA 1 ATOM 80 C C . SER A 1 7 ? 79.038 96.086 34.480 1.00 29.75 ? 88 SER A C 1 ATOM 81 O O . SER A 1 7 ? 78.356 96.053 33.446 1.00 32.35 ? 88 SER A O 1 ATOM 82 C CB . SER A 1 7 ? 81.065 95.249 33.225 1.00 28.70 ? 88 SER A CB 1 ATOM 83 O OG . SER A 1 7 ? 80.471 94.161 32.549 1.00 31.42 ? 88 SER A OG 1 ATOM 84 H H . SER A 1 7 ? 80.433 93.444 34.833 1.00 0.00 ? 88 SER A H 1 ATOM 85 H HG . SER A 1 7 ? 80.904 94.046 31.707 1.00 0.00 ? 88 SER A HG 1 ATOM 86 N N . LYS A 1 8 ? 78.556 96.645 35.575 1.00 28.83 ? 89 LYS A N 1 ATOM 87 C CA . LYS A 1 8 ? 77.246 97.244 35.621 1.00 27.28 ? 89 LYS A CA 1 ATOM 88 C C . LYS A 1 8 ? 77.408 98.402 36.572 1.00 26.98 ? 89 LYS A C 1 ATOM 89 O O . LYS A 1 8 ? 78.123 98.314 37.592 1.00 26.86 ? 89 LYS A O 1 ATOM 90 C CB . LYS A 1 8 ? 76.176 96.310 36.185 1.00 28.28 ? 89 LYS A CB 1 ATOM 91 C CG . LYS A 1 8 ? 75.379 95.552 35.154 1.00 27.82 ? 89 LYS A CG 1 ATOM 92 C CD . LYS A 1 8 ? 74.448 94.572 35.860 1.00 27.62 ? 89 LYS A CD 1 ATOM 93 C CE . LYS A 1 8 ? 73.796 93.738 34.768 1.00 26.95 ? 89 LYS A CE 1 ATOM 94 N NZ . LYS A 1 8 ? 73.282 92.500 35.303 1.00 28.38 ? 89 LYS A NZ 1 ATOM 95 H H . LYS A 1 8 ? 79.125 96.698 36.379 1.00 0.00 ? 89 LYS A H 1 ATOM 96 H HZ1 . LYS A 1 8 ? 72.607 92.702 36.067 1.00 0.00 ? 89 LYS A HZ1 1 ATOM 97 H HZ2 . LYS A 1 8 ? 72.796 91.980 34.546 1.00 0.00 ? 89 LYS A HZ2 1 ATOM 98 H HZ3 . LYS A 1 8 ? 74.061 91.920 35.667 1.00 0.00 ? 89 LYS A HZ3 1 ATOM 99 N N . PRO A 1 9 ? 76.733 99.511 36.251 1.00 25.46 ? 90 PRO A N 1 ATOM 100 C CA . PRO A 1 9 ? 76.763 100.741 37.011 1.00 23.91 ? 90 PRO A CA 1 ATOM 101 C C . PRO A 1 9 ? 76.431 100.453 38.439 1.00 22.36 ? 90 PRO A C 1 ATOM 102 O O . PRO A 1 9 ? 75.768 99.464 38.708 1.00 22.62 ? 90 PRO A O 1 ATOM 103 C CB . PRO A 1 9 ? 75.743 101.589 36.352 1.00 26.05 ? 90 PRO A CB 1 ATOM 104 C CG . PRO A 1 9 ? 75.733 101.115 34.912 1.00 26.30 ? 90 PRO A CG 1 ATOM 105 C CD . PRO A 1 9 ? 75.838 99.628 35.112 1.00 26.15 ? 90 PRO A CD 1 ATOM 106 N N . GLN A 1 10 ? 76.892 101.231 39.389 1.00 22.53 ? 91 GLN A N 1 ATOM 107 C CA . GLN A 1 10 ? 76.541 100.989 40.775 1.00 24.37 ? 91 GLN A CA 1 ATOM 108 C C . GLN A 1 10 ? 75.117 101.532 40.823 1.00 26.66 ? 91 GLN A C 1 ATOM 109 O O . GLN A 1 10 ? 74.721 102.442 40.071 1.00 28.74 ? 91 GLN A O 1 ATOM 110 C CB . GLN A 1 10 ? 77.460 101.781 41.671 1.00 23.33 ? 91 GLN A CB 1 ATOM 111 C CG . GLN A 1 10 ? 77.136 101.709 43.124 1.00 25.95 ? 91 GLN A CG 1 ATOM 112 C CD . GLN A 1 10 ? 78.123 102.527 43.942 1.00 28.69 ? 91 GLN A CD 1 ATOM 113 O OE1 . GLN A 1 10 ? 79.237 102.099 44.208 1.00 32.24 ? 91 GLN A OE1 1 ATOM 114 N NE2 . GLN A 1 10 ? 77.844 103.715 44.427 1.00 29.23 ? 91 GLN A NE2 1 ATOM 115 H H . GLN A 1 10 ? 77.374 102.045 39.160 1.00 0.00 ? 91 GLN A H 1 ATOM 116 H HE21 . GLN A 1 10 ? 78.582 104.159 44.904 1.00 0.00 ? 91 GLN A HE21 1 ATOM 117 H HE22 . GLN A 1 10 ? 76.944 104.068 44.296 1.00 0.00 ? 91 GLN A HE22 1 ATOM 118 N N . CYS A 1 11 ? 74.276 100.931 41.624 1.00 27.66 ? 92 CYS A N 1 ATOM 119 C CA . CYS A 1 11 ? 72.915 101.400 41.735 1.00 27.91 ? 92 CYS A CA 1 ATOM 120 C C . CYS A 1 11 ? 72.977 102.711 42.498 1.00 30.65 ? 92 CYS A C 1 ATOM 121 O O . CYS A 1 11 ? 73.897 102.963 43.299 1.00 30.69 ? 92 CYS A O 1 ATOM 122 C CB . CYS A 1 11 ? 72.058 100.467 42.540 1.00 26.34 ? 92 CYS A CB 1 ATOM 123 S SG . CYS A 1 11 ? 71.961 98.788 41.926 1.00 22.57 ? 92 CYS A SG 1 ATOM 124 H H . CYS A 1 11 ? 74.599 100.170 42.152 1.00 0.00 ? 92 CYS A H 1 ATOM 125 N N . GLN A 1 12 ? 72.001 103.561 42.185 1.00 34.17 ? 93 GLN A N 1 ATOM 126 C CA . GLN A 1 12 ? 71.872 104.864 42.827 1.00 36.19 ? 93 GLN A CA 1 ATOM 127 C C . GLN A 1 12 ? 71.106 104.506 44.059 1.00 35.71 ? 93 GLN A C 1 ATOM 128 O O . GLN A 1 12 ? 70.146 103.737 43.971 1.00 37.97 ? 93 GLN A O 1 ATOM 129 C CB . GLN A 1 12 ? 71.090 105.816 41.958 1.00 39.37 ? 93 GLN A CB 1 ATOM 130 C CG . GLN A 1 12 ? 72.052 106.488 40.965 1.00 42.73 ? 93 GLN A CG 1 ATOM 131 C CD . GLN A 1 12 ? 73.095 107.385 41.647 1.00 45.03 ? 93 GLN A CD 1 ATOM 132 O OE1 . GLN A 1 12 ? 73.076 107.656 42.857 1.00 46.06 ? 93 GLN A OE1 1 ATOM 133 N NE2 . GLN A 1 12 ? 74.084 107.874 40.909 1.00 45.80 ? 93 GLN A NE2 1 ATOM 134 H H . GLN A 1 12 ? 71.297 103.251 41.580 1.00 0.00 ? 93 GLN A H 1 ATOM 135 H HE21 . GLN A 1 12 ? 74.653 108.545 41.342 1.00 0.00 ? 93 GLN A HE21 1 ATOM 136 H HE22 . GLN A 1 12 ? 74.170 107.590 39.976 1.00 0.00 ? 93 GLN A HE22 1 ATOM 137 N N . ILE A 1 13 ? 71.549 104.958 45.202 1.00 33.79 ? 94 ILE A N 1 ATOM 138 C CA . ILE A 1 13 ? 70.850 104.567 46.377 1.00 32.45 ? 94 ILE A CA 1 ATOM 139 C C . ILE A 1 13 ? 70.583 105.826 47.147 1.00 31.82 ? 94 ILE A C 1 ATOM 140 O O . ILE A 1 13 ? 71.270 106.830 47.027 1.00 32.14 ? 94 ILE A O 1 ATOM 141 C CB . ILE A 1 13 ? 71.669 103.520 47.274 1.00 33.07 ? 94 ILE A CB 1 ATOM 142 C CG1 . ILE A 1 13 ? 72.945 104.090 47.852 1.00 31.67 ? 94 ILE A CG1 1 ATOM 143 C CG2 . ILE A 1 13 ? 72.028 102.310 46.428 1.00 32.41 ? 94 ILE A CG2 1 ATOM 144 C CD1 . ILE A 1 13 ? 73.197 103.460 49.227 1.00 29.33 ? 94 ILE A CD1 1 ATOM 145 H H . ILE A 1 13 ? 72.241 105.652 45.257 1.00 0.00 ? 94 ILE A H 1 ATOM 146 N N . THR A 1 14 ? 69.524 105.667 47.917 1.00 30.57 ? 95 THR A N 1 ATOM 147 C CA . THR A 1 14 ? 68.901 106.624 48.794 1.00 27.21 ? 95 THR A CA 1 ATOM 148 C C . THR A 1 14 ? 69.251 106.385 50.221 1.00 25.85 ? 95 THR A C 1 ATOM 149 O O . THR A 1 14 ? 69.017 107.242 51.067 1.00 25.01 ? 95 THR A O 1 ATOM 150 C CB . THR A 1 14 ? 67.421 106.455 48.509 1.00 27.71 ? 95 THR A CB 1 ATOM 151 O OG1 . THR A 1 14 ? 67.300 106.717 47.105 1.00 28.41 ? 95 THR A OG1 1 ATOM 152 C CG2 . THR A 1 14 ? 66.516 107.356 49.310 1.00 29.99 ? 95 THR A CG2 1 ATOM 153 H H . THR A 1 14 ? 69.043 104.826 47.809 1.00 0.00 ? 95 THR A H 1 ATOM 154 H HG1 . THR A 1 14 ? 67.399 107.657 46.931 1.00 0.00 ? 95 THR A HG1 1 ATOM 155 N N . GLY A 1 15 ? 69.725 105.181 50.520 1.00 25.56 ? 96 GLY A N 1 ATOM 156 C CA . GLY A 1 15 ? 70.064 104.803 51.883 1.00 24.29 ? 96 GLY A CA 1 ATOM 157 C C . GLY A 1 15 ? 69.946 103.279 51.950 1.00 24.80 ? 96 GLY A C 1 ATOM 158 O O . GLY A 1 15 ? 69.909 102.600 50.908 1.00 22.79 ? 96 GLY A O 1 ATOM 159 H H . GLY A 1 15 ? 69.800 104.477 49.840 1.00 0.00 ? 96 GLY A H 1 ATOM 160 N N . PHE A 1 16 ? 69.802 102.741 53.153 1.00 25.29 ? 97 PHE A N 1 ATOM 161 C CA . PHE A 1 16 ? 69.754 101.313 53.391 1.00 26.20 ? 97 PHE A CA 1 ATOM 162 C C . PHE A 1 16 ? 68.466 100.759 53.946 1.00 25.78 ? 97 PHE A C 1 ATOM 163 O O . PHE A 1 16 ? 67.887 101.418 54.805 1.00 27.74 ? 97 PHE A O 1 ATOM 164 C CB . PHE A 1 16 ? 70.947 100.962 54.325 1.00 26.47 ? 97 PHE A CB 1 ATOM 165 C CG . PHE A 1 16 ? 72.240 101.356 53.612 1.00 27.55 ? 97 PHE A CG 1 ATOM 166 C CD1 . PHE A 1 16 ? 72.644 100.653 52.487 1.00 27.37 ? 97 PHE A CD1 1 ATOM 167 C CD2 . PHE A 1 16 ? 72.941 102.490 54.010 1.00 27.30 ? 97 PHE A CD2 1 ATOM 168 C CE1 . PHE A 1 16 ? 73.742 101.101 51.762 1.00 28.57 ? 97 PHE A CE1 1 ATOM 169 C CE2 . PHE A 1 16 ? 74.035 102.925 53.274 1.00 27.70 ? 97 PHE A CE2 1 ATOM 170 C CZ . PHE A 1 16 ? 74.435 102.244 52.152 1.00 27.60 ? 97 PHE A CZ 1 ATOM 171 H H . PHE A 1 16 ? 69.677 103.324 53.918 1.00 0.00 ? 97 PHE A H 1 ATOM 172 N N . ALA A 1 17 ? 68.060 99.567 53.463 1.00 23.66 ? 98 ALA A N 1 ATOM 173 C CA . ALA A 1 17 ? 66.866 98.836 53.859 1.00 22.63 ? 98 ALA A CA 1 ATOM 174 C C . ALA A 1 17 ? 67.256 97.626 54.696 1.00 22.68 ? 98 ALA A C 1 ATOM 175 O O . ALA A 1 17 ? 68.260 96.992 54.346 1.00 23.99 ? 98 ALA A O 1 ATOM 176 C CB . ALA A 1 17 ? 66.159 98.366 52.617 1.00 21.31 ? 98 ALA A CB 1 ATOM 177 H H . ALA A 1 17 ? 68.652 99.132 52.817 1.00 0.00 ? 98 ALA A H 1 ATOM 178 N N . PRO A 1 18 ? 66.585 97.200 55.772 1.00 22.00 ? 99 PRO A N 1 ATOM 179 C CA . PRO A 1 18 ? 66.870 95.930 56.481 1.00 22.40 ? 99 PRO A CA 1 ATOM 180 C C . PRO A 1 18 ? 66.990 94.675 55.590 1.00 22.68 ? 99 PRO A C 1 ATOM 181 O O . PRO A 1 18 ? 66.258 94.519 54.595 1.00 22.65 ? 99 PRO A O 1 ATOM 182 C CB . PRO A 1 18 ? 65.756 95.830 57.512 1.00 21.73 ? 99 PRO A CB 1 ATOM 183 C CG . PRO A 1 18 ? 65.360 97.262 57.712 1.00 20.57 ? 99 PRO A CG 1 ATOM 184 C CD . PRO A 1 18 ? 65.377 97.816 56.283 1.00 21.22 ? 99 PRO A CD 1 ATOM 185 N N . PHE A 1 19 ? 67.921 93.756 55.877 1.00 21.90 ? 100 PHE A N 1 ATOM 186 C CA . PHE A 1 19 ? 68.039 92.614 54.999 1.00 21.63 ? 100 PHE A CA 1 ATOM 187 C C . PHE A 1 19 ? 68.086 91.276 55.691 1.00 22.07 ? 100 PHE A C 1 ATOM 188 O O . PHE A 1 19 ? 67.437 90.350 55.206 1.00 21.94 ? 100 PHE A O 1 ATOM 189 C CB . PHE A 1 19 ? 69.267 92.789 54.151 1.00 20.98 ? 100 PHE A CB 1 ATOM 190 C CG . PHE A 1 19 ? 69.405 91.815 52.993 1.00 21.26 ? 100 PHE A CG 1 ATOM 191 C CD1 . PHE A 1 19 ? 68.350 91.566 52.141 1.00 20.09 ? 100 PHE A CD1 1 ATOM 192 C CD2 . PHE A 1 19 ? 70.626 91.209 52.763 1.00 20.91 ? 100 PHE A CD2 1 ATOM 193 C CE1 . PHE A 1 19 ? 68.541 90.716 51.063 1.00 21.12 ? 100 PHE A CE1 1 ATOM 194 C CE2 . PHE A 1 19 ? 70.800 90.364 51.687 1.00 20.69 ? 100 PHE A CE2 1 ATOM 195 C CZ . PHE A 1 19 ? 69.759 90.116 50.832 1.00 20.36 ? 100 PHE A CZ 1 ATOM 196 H H . PHE A 1 19 ? 68.551 93.882 56.618 1.00 0.00 ? 100 PHE A H 1 ATOM 197 N N . SER A 1 20 ? 68.800 91.153 56.808 1.00 21.10 ? 101 SER A N 1 ATOM 198 C CA . SER A 1 20 ? 68.875 89.895 57.493 1.00 20.11 ? 101 SER A CA 1 ATOM 199 C C . SER A 1 20 ? 69.349 90.212 58.878 1.00 19.73 ? 101 SER A C 1 ATOM 200 O O . SER A 1 20 ? 69.787 91.336 59.138 1.00 20.23 ? 101 SER A O 1 ATOM 201 C CB . SER A 1 20 ? 69.853 89.027 56.765 1.00 21.15 ? 101 SER A CB 1 ATOM 202 O OG . SER A 1 20 ? 69.995 87.748 57.360 1.00 23.71 ? 101 SER A OG 1 ATOM 203 H H . SER A 1 20 ? 69.265 91.926 57.192 1.00 0.00 ? 101 SER A H 1 ATOM 204 H HG . SER A 1 20 ? 69.301 87.209 56.939 1.00 0.00 ? 101 SER A HG 1 ATOM 205 N N . LYS A 1 21 ? 69.198 89.264 59.771 1.00 18.12 ? 102 LYS A N 1 ATOM 206 C CA . LYS A 1 21 ? 69.620 89.332 61.163 1.00 18.10 ? 102 LYS A CA 1 ATOM 207 C C . LYS A 1 21 ? 69.505 87.842 61.535 1.00 20.24 ? 102 LYS A C 1 ATOM 208 O O . LYS A 1 21 ? 68.529 87.190 61.150 1.00 21.84 ? 102 LYS A O 1 ATOM 209 C CB . LYS A 1 21 ? 68.680 90.216 61.883 1.00 15.22 ? 102 LYS A CB 1 ATOM 210 C CG . LYS A 1 21 ? 68.824 90.202 63.370 1.00 15.95 ? 102 LYS A CG 1 ATOM 211 C CD . LYS A 1 21 ? 68.489 91.584 63.891 1.00 15.59 ? 102 LYS A CD 1 ATOM 212 C CE . LYS A 1 21 ? 68.213 91.576 65.356 1.00 16.01 ? 102 LYS A CE 1 ATOM 213 N NZ . LYS A 1 21 ? 69.267 91.029 66.172 1.00 15.30 ? 102 LYS A NZ 1 ATOM 214 H H . LYS A 1 21 ? 68.711 88.460 59.478 1.00 0.00 ? 102 LYS A H 1 ATOM 215 H HZ1 . LYS A 1 21 ? 69.452 90.042 65.899 1.00 0.00 ? 102 LYS A HZ1 1 ATOM 216 H HZ2 . LYS A 1 21 ? 70.133 91.592 66.041 1.00 0.00 ? 102 LYS A HZ2 1 ATOM 217 H HZ3 . LYS A 1 21 ? 68.977 91.064 67.171 1.00 0.00 ? 102 LYS A HZ3 1 ATOM 218 N N . ASP A 1 22 ? 70.507 87.209 62.143 1.00 21.81 ? 103 ASP A N 1 ATOM 219 C CA . ASP A 1 22 ? 70.435 85.793 62.436 1.00 22.84 ? 103 ASP A CA 1 ATOM 220 C C . ASP A 1 22 ? 70.156 85.463 63.879 1.00 23.56 ? 103 ASP A C 1 ATOM 221 O O . ASP A 1 22 ? 70.002 84.286 64.229 1.00 24.42 ? 103 ASP A O 1 ATOM 222 C CB . ASP A 1 22 ? 71.740 85.118 61.990 1.00 23.46 ? 103 ASP A CB 1 ATOM 223 C CG . ASP A 1 22 ? 73.047 85.448 62.746 1.00 24.89 ? 103 ASP A CG 1 ATOM 224 O OD1 . ASP A 1 22 ? 73.041 86.321 63.636 1.00 23.05 ? 103 ASP A OD1 1 ATOM 225 O OD2 . ASP A 1 22 ? 74.075 84.799 62.423 1.00 24.55 ? 103 ASP A OD2 1 ATOM 226 H H . ASP A 1 22 ? 71.325 87.708 62.323 1.00 0.00 ? 103 ASP A H 1 ATOM 227 N N . ASN A 1 23 ? 70.238 86.470 64.746 1.00 22.61 ? 104 ASN A N 1 ATOM 228 C CA . ASN A 1 23 ? 69.927 86.292 66.156 1.00 23.23 ? 104 ASN A CA 1 ATOM 229 C C . ASN A 1 23 ? 70.641 85.227 66.963 1.00 24.95 ? 104 ASN A C 1 ATOM 230 O O . ASN A 1 23 ? 70.163 84.788 68.024 1.00 25.18 ? 104 ASN A O 1 ATOM 231 C CB . ASN A 1 23 ? 68.412 86.068 66.307 1.00 22.11 ? 104 ASN A CB 1 ATOM 232 C CG . ASN A 1 23 ? 67.544 87.288 66.014 1.00 21.31 ? 104 ASN A CG 1 ATOM 233 O OD1 . ASN A 1 23 ? 66.944 87.450 64.957 1.00 19.92 ? 104 ASN A OD1 1 ATOM 234 N ND2 . ASN A 1 23 ? 67.439 88.249 66.913 1.00 21.39 ? 104 ASN A ND2 1 ATOM 235 H H . ASN A 1 23 ? 70.437 87.364 64.410 1.00 0.00 ? 104 ASN A H 1 ATOM 236 H HD21 . ASN A 1 23 ? 66.878 88.986 66.623 1.00 0.00 ? 104 ASN A HD21 1 ATOM 237 H HD22 . ASN A 1 23 ? 67.918 88.171 67.764 1.00 0.00 ? 104 ASN A HD22 1 ATOM 238 N N . SER A 1 24 ? 71.890 84.934 66.555 1.00 27.69 ? 105 SER A N 1 ATOM 239 C CA . SER A 1 24 ? 72.741 83.941 67.204 1.00 29.00 ? 105 SER A CA 1 ATOM 240 C C . SER A 1 24 ? 72.905 83.993 68.706 1.00 28.51 ? 105 SER A C 1 ATOM 241 O O . SER A 1 24 ? 72.787 82.933 69.321 1.00 29.29 ? 105 SER A O 1 ATOM 242 C CB . SER A 1 24 ? 74.151 83.961 66.593 1.00 31.94 ? 105 SER A CB 1 ATOM 243 O OG . SER A 1 24 ? 74.183 83.409 65.248 1.00 36.64 ? 105 SER A OG 1 ATOM 244 H H . SER A 1 24 ? 72.222 85.359 65.741 1.00 0.00 ? 105 SER A H 1 ATOM 245 H HG . SER A 1 24 ? 73.681 82.587 65.225 1.00 0.00 ? 105 SER A HG 1 ATOM 246 N N . ILE A 1 25 ? 73.064 85.131 69.380 1.00 27.28 ? 106 ILE A N 1 ATOM 247 C CA . ILE A 1 25 ? 73.241 85.109 70.829 1.00 26.07 ? 106 ILE A CA 1 ATOM 248 C C . ILE A 1 25 ? 71.938 84.860 71.587 1.00 26.26 ? 106 ILE A C 1 ATOM 249 O O . ILE A 1 25 ? 71.960 84.153 72.604 1.00 26.50 ? 106 ILE A O 1 ATOM 250 C CB . ILE A 1 25 ? 73.916 86.449 71.275 1.00 25.54 ? 106 ILE A CB 1 ATOM 251 C CG1 . ILE A 1 25 ? 75.155 86.782 70.432 1.00 25.33 ? 106 ILE A CG1 1 ATOM 252 C CG2 . ILE A 1 25 ? 74.378 86.313 72.725 1.00 24.31 ? 106 ILE A CG2 1 ATOM 253 C CD1 . ILE A 1 25 ? 76.332 85.769 70.499 1.00 26.19 ? 106 ILE A CD1 1 ATOM 254 H H . ILE A 1 25 ? 73.078 85.988 68.916 1.00 0.00 ? 106 ILE A H 1 ATOM 255 N N . ARG A 1 26 ? 70.768 85.353 71.134 1.00 26.24 ? 107 ARG A N 1 ATOM 256 C CA . ARG A 1 26 ? 69.501 85.124 71.851 1.00 25.22 ? 107 ARG A CA 1 ATOM 257 C C . ARG A 1 26 ? 69.216 83.639 71.784 1.00 22.85 ? 107 ARG A C 1 ATOM 258 O O . ARG A 1 26 ? 68.931 83.045 72.827 1.00 21.17 ? 107 ARG A O 1 ATOM 259 C CB . ARG A 1 26 ? 68.297 85.843 71.233 1.00 26.85 ? 107 ARG A CB 1 ATOM 260 C CG . ARG A 1 26 ? 68.357 87.358 71.128 1.00 27.37 ? 107 ARG A CG 1 ATOM 261 C CD . ARG A 1 26 ? 67.044 87.888 70.521 1.00 29.41 ? 107 ARG A CD 1 ATOM 262 N NE . ARG A 1 26 ? 66.232 88.365 71.621 1.00 31.18 ? 107 ARG A NE 1 ATOM 263 C CZ . ARG A 1 26 ? 64.911 88.283 71.689 1.00 31.32 ? 107 ARG A CZ 1 ATOM 264 N NH1 . ARG A 1 26 ? 64.150 87.763 70.748 1.00 32.35 ? 107 ARG A NH1 1 ATOM 265 N NH2 . ARG A 1 26 ? 64.331 88.766 72.768 1.00 32.59 ? 107 ARG A NH2 1 ATOM 266 H H . ARG A 1 26 ? 70.743 85.807 70.267 1.00 0.00 ? 107 ARG A H 1 ATOM 267 H HE . ARG A 1 26 ? 66.690 88.772 72.387 1.00 0.00 ? 107 ARG A HE 1 ATOM 268 H HH11 . ARG A 1 26 ? 64.549 87.399 69.907 1.00 0.00 ? 107 ARG A HH11 1 ATOM 269 H HH12 . ARG A 1 26 ? 63.159 87.742 70.878 1.00 0.00 ? 107 ARG A HH12 1 ATOM 270 H HH21 . ARG A 1 26 ? 64.892 89.170 73.490 1.00 0.00 ? 107 ARG A HH21 1 ATOM 271 H HH22 . ARG A 1 26 ? 63.337 88.739 72.856 1.00 0.00 ? 107 ARG A HH22 1 ATOM 272 N N . LEU A 1 27 ? 69.368 83.098 70.571 1.00 21.52 ? 108 LEU A N 1 ATOM 273 C CA . LEU A 1 27 ? 69.185 81.677 70.295 1.00 23.04 ? 108 LEU A CA 1 ATOM 274 C C . LEU A 1 27 ? 70.136 80.803 71.137 1.00 25.03 ? 108 LEU A C 1 ATOM 275 O O . LEU A 1 27 ? 69.712 79.802 71.714 1.00 26.12 ? 108 LEU A O 1 ATOM 276 C CB . LEU A 1 27 ? 69.421 81.410 68.822 1.00 19.44 ? 108 LEU A CB 1 ATOM 277 C CG . LEU A 1 27 ? 68.361 81.912 67.857 1.00 17.22 ? 108 LEU A CG 1 ATOM 278 C CD1 . LEU A 1 27 ? 68.749 81.570 66.449 1.00 15.06 ? 108 LEU A CD1 1 ATOM 279 C CD2 . LEU A 1 27 ? 67.029 81.242 68.157 1.00 17.11 ? 108 LEU A CD2 1 ATOM 280 H H . LEU A 1 27 ? 69.575 83.693 69.819 1.00 0.00 ? 108 LEU A H 1 ATOM 281 N N . SER A 1 28 ? 71.402 81.190 71.337 1.00 25.95 ? 109 SER A N 1 ATOM 282 C CA . SER A 1 28 ? 72.395 80.465 72.130 1.00 24.39 ? 109 SER A CA 1 ATOM 283 C C . SER A 1 28 ? 71.983 80.246 73.559 1.00 25.45 ? 109 SER A C 1 ATOM 284 O O . SER A 1 28 ? 72.648 79.476 74.259 1.00 26.24 ? 109 SER A O 1 ATOM 285 C CB . SER A 1 28 ? 73.701 81.204 72.168 1.00 23.41 ? 109 SER A CB 1 ATOM 286 O OG . SER A 1 28 ? 74.154 81.406 70.841 1.00 23.50 ? 109 SER A OG 1 ATOM 287 H H . SER A 1 28 ? 71.675 82.040 70.937 1.00 0.00 ? 109 SER A H 1 ATOM 288 H HG . SER A 1 28 ? 73.406 81.483 70.243 1.00 0.00 ? 109 SER A HG 1 ATOM 289 N N . ALA A 1 29 ? 70.927 80.887 74.067 1.00 25.96 ? 110 ALA A N 1 ATOM 290 C CA . ALA A 1 29 ? 70.572 80.611 75.449 1.00 26.63 ? 110 ALA A CA 1 ATOM 291 C C . ALA A 1 29 ? 69.527 79.478 75.488 1.00 27.99 ? 110 ALA A C 1 ATOM 292 O O . ALA A 1 29 ? 68.935 79.160 76.532 1.00 29.51 ? 110 ALA A O 1 ATOM 293 C CB . ALA A 1 29 ? 70.028 81.877 76.072 1.00 25.36 ? 110 ALA A CB 1 ATOM 294 H H . ALA A 1 29 ? 70.392 81.496 73.519 1.00 0.00 ? 110 ALA A H 1 ATOM 295 N N . GLY A 1 30 ? 69.247 78.874 74.331 1.00 27.30 ? 111 GLY A N 1 ATOM 296 C CA . GLY A 1 30 ? 68.298 77.790 74.217 1.00 26.91 ? 111 GLY A CA 1 ATOM 297 C C . GLY A 1 30 ? 68.566 77.121 72.890 1.00 27.52 ? 111 GLY A C 1 ATOM 298 O O . GLY A 1 30 ? 67.687 77.104 72.028 1.00 28.70 ? 111 GLY A O 1 ATOM 299 H H . GLY A 1 30 ? 69.671 79.189 73.509 1.00 0.00 ? 111 GLY A H 1 ATOM 300 N N . GLY A 1 31 ? 69.780 76.604 72.681 1.00 27.20 ? 112 GLY A N 1 ATOM 301 C CA . GLY A 1 31 ? 70.140 75.945 71.433 1.00 27.36 ? 112 GLY A CA 1 ATOM 302 C C . GLY A 1 31 ? 71.646 75.726 71.366 1.00 26.80 ? 112 GLY A C 1 ATOM 303 O O . GLY A 1 31 ? 72.353 76.323 72.174 1.00 27.99 ? 112 GLY A O 1 ATOM 304 H H . GLY A 1 31 ? 70.490 76.712 73.350 1.00 0.00 ? 112 GLY A H 1 ATOM 305 N N . ASP A 1 32 ? 72.183 74.883 70.473 1.00 25.66 ? 113 ASP A N 1 ATOM 306 C CA . ASP A 1 32 ? 73.620 74.646 70.392 1.00 23.61 ? 113 ASP A CA 1 ATOM 307 C C . ASP A 1 32 ? 74.050 75.397 69.142 1.00 22.38 ? 113 ASP A C 1 ATOM 308 O O . ASP A 1 32 ? 73.848 74.980 67.989 1.00 22.56 ? 113 ASP A O 1 ATOM 309 C CB . ASP A 1 32 ? 73.894 73.131 70.288 1.00 24.34 ? 113 ASP A CB 1 ATOM 310 C CG . ASP A 1 32 ? 73.335 72.325 71.470 1.00 25.02 ? 113 ASP A CG 1 ATOM 311 O OD1 . ASP A 1 32 ? 73.557 72.662 72.628 1.00 25.26 ? 113 ASP A OD1 1 ATOM 312 O OD2 . ASP A 1 32 ? 72.645 71.337 71.244 1.00 27.23 ? 113 ASP A OD2 1 ATOM 313 H H . ASP A 1 32 ? 71.594 74.425 69.838 1.00 0.00 ? 113 ASP A H 1 ATOM 314 N N . ILE A 1 33 ? 74.536 76.609 69.467 1.00 20.70 ? 114 ILE A N 1 ATOM 315 C CA . ILE A 1 33 ? 75.009 77.615 68.506 1.00 18.25 ? 114 ILE A CA 1 ATOM 316 C C . ILE A 1 33 ? 76.493 77.898 68.701 1.00 17.96 ? 114 ILE A C 1 ATOM 317 O O . ILE A 1 33 ? 76.976 78.080 69.826 1.00 19.08 ? 114 ILE A O 1 ATOM 318 C CB . ILE A 1 33 ? 74.185 78.971 68.690 1.00 16.90 ? 114 ILE A CB 1 ATOM 319 C CG1 . ILE A 1 33 ? 72.652 78.789 68.556 1.00 14.25 ? 114 ILE A CG1 1 ATOM 320 C CG2 . ILE A 1 33 ? 74.643 79.957 67.629 1.00 15.08 ? 114 ILE A CG2 1 ATOM 321 C CD1 . ILE A 1 33 ? 72.149 78.337 67.176 1.00 9.90 ? 114 ILE A CD1 1 ATOM 322 H H . ILE A 1 33 ? 74.590 76.815 70.423 1.00 0.00 ? 114 ILE A H 1 ATOM 323 N N . TRP A 1 34 ? 77.234 77.895 67.617 1.00 17.38 ? 115 TRP A N 1 ATOM 324 C CA . TRP A 1 34 ? 78.669 78.181 67.572 1.00 19.17 ? 115 TRP A CA 1 ATOM 325 C C . TRP A 1 34 ? 79.114 79.505 68.144 1.00 18.74 ? 115 TRP A C 1 ATOM 326 O O . TRP A 1 34 ? 78.391 80.493 68.013 1.00 18.96 ? 115 TRP A O 1 ATOM 327 C CB . TRP A 1 34 ? 79.172 78.201 66.158 1.00 20.40 ? 115 TRP A CB 1 ATOM 328 C CG . TRP A 1 34 ? 79.383 76.821 65.565 1.00 23.44 ? 115 TRP A CG 1 ATOM 329 C CD1 . TRP A 1 34 ? 78.407 76.079 64.934 1.00 23.57 ? 115 TRP A CD1 1 ATOM 330 C CD2 . TRP A 1 34 ? 80.608 76.215 65.521 1.00 24.81 ? 115 TRP A CD2 1 ATOM 331 N NE1 . TRP A 1 34 ? 79.012 75.011 64.466 1.00 24.62 ? 115 TRP A NE1 1 ATOM 332 C CE2 . TRP A 1 34 ? 80.330 75.052 64.795 1.00 25.53 ? 115 TRP A CE2 1 ATOM 333 C CE3 . TRP A 1 34 ? 81.876 76.513 65.978 1.00 23.86 ? 115 TRP A CE3 1 ATOM 334 C CZ2 . TRP A 1 34 ? 81.368 74.178 64.527 1.00 24.46 ? 115 TRP A CZ2 1 ATOM 335 C CZ3 . TRP A 1 34 ? 82.891 75.631 65.700 1.00 22.83 ? 115 TRP A CZ3 1 ATOM 336 C CH2 . TRP A 1 34 ? 82.636 74.488 64.986 1.00 23.97 ? 115 TRP A CH2 1 ATOM 337 H H . TRP A 1 34 ? 76.773 77.723 66.774 1.00 0.00 ? 115 TRP A H 1 ATOM 338 H HE1 . TRP A 1 34 ? 78.572 74.313 63.923 1.00 0.00 ? 115 TRP A HE1 1 ATOM 339 N N . VAL A 1 35 ? 80.291 79.583 68.776 1.00 20.58 ? 116 VAL A N 1 ATOM 340 C CA . VAL A 1 35 ? 80.838 80.848 69.303 1.00 19.38 ? 116 VAL A CA 1 ATOM 341 C C . VAL A 1 35 ? 81.590 81.401 68.095 1.00 18.59 ? 116 VAL A C 1 ATOM 342 O O . VAL A 1 35 ? 82.301 80.608 67.469 1.00 18.63 ? 116 VAL A O 1 ATOM 343 C CB . VAL A 1 35 ? 81.818 80.621 70.459 1.00 19.61 ? 116 VAL A CB 1 ATOM 344 C CG1 . VAL A 1 35 ? 82.617 81.861 70.746 1.00 19.82 ? 116 VAL A CG1 1 ATOM 345 C CG2 . VAL A 1 35 ? 81.046 80.411 71.753 1.00 20.95 ? 116 VAL A CG2 1 ATOM 346 H H . VAL A 1 35 ? 80.827 78.768 68.833 1.00 0.00 ? 116 VAL A H 1 ATOM 347 N N . THR A 1 36 ? 81.391 82.633 67.630 1.00 16.85 ? 117 THR A N 1 ATOM 348 C CA . THR A 1 36 ? 82.142 83.126 66.482 1.00 17.94 ? 117 THR A CA 1 ATOM 349 C C . THR A 1 36 ? 82.645 84.558 66.704 1.00 17.49 ? 117 THR A C 1 ATOM 350 O O . THR A 1 36 ? 82.648 85.048 67.847 1.00 17.68 ? 117 THR A O 1 ATOM 351 C CB . THR A 1 36 ? 81.244 83.092 65.199 1.00 18.06 ? 117 THR A CB 1 ATOM 352 O OG1 . THR A 1 36 ? 80.047 83.752 65.543 1.00 19.95 ? 117 THR A OG1 1 ATOM 353 C CG2 . THR A 1 36 ? 80.918 81.727 64.686 1.00 18.08 ? 117 THR A CG2 1 ATOM 354 H H . THR A 1 36 ? 80.638 83.191 67.908 1.00 0.00 ? 117 THR A H 1 ATOM 355 H HG1 . THR A 1 36 ? 79.299 83.507 64.987 1.00 0.00 ? 117 THR A HG1 1 ATOM 356 N N . ARG A 1 37 ? 83.243 85.112 65.646 1.00 15.97 ? 118 ARG A N 1 ATOM 357 C CA . ARG A 1 37 ? 83.687 86.489 65.552 1.00 17.05 ? 118 ARG A CA 1 ATOM 358 C C . ARG A 1 37 ? 84.172 86.659 64.122 1.00 16.73 ? 118 ARG A C 1 ATOM 359 O O . ARG A 1 37 ? 84.218 85.711 63.332 1.00 15.54 ? 118 ARG A O 1 ATOM 360 C CB . ARG A 1 37 ? 84.771 86.910 66.538 1.00 19.09 ? 118 ARG A CB 1 ATOM 361 C CG . ARG A 1 37 ? 83.999 87.916 67.451 1.00 23.17 ? 118 ARG A CG 1 ATOM 362 C CD . ARG A 1 37 ? 84.624 89.147 68.164 1.00 25.62 ? 118 ARG A CD 1 ATOM 363 N NE . ARG A 1 37 ? 84.706 90.359 67.333 1.00 28.15 ? 118 ARG A NE 1 ATOM 364 C CZ . ARG A 1 37 ? 85.826 90.961 66.960 1.00 28.43 ? 118 ARG A CZ 1 ATOM 365 N NH1 . ARG A 1 37 ? 86.980 90.513 67.351 1.00 31.46 ? 118 ARG A NH1 1 ATOM 366 N NH2 . ARG A 1 37 ? 85.836 91.972 66.113 1.00 28.56 ? 118 ARG A NH2 1 ATOM 367 H H . ARG A 1 37 ? 83.475 84.529 64.889 1.00 0.00 ? 118 ARG A H 1 ATOM 368 H HE . ARG A 1 37 ? 83.866 90.747 67.015 1.00 0.00 ? 118 ARG A HE 1 ATOM 369 H HH11 . ARG A 1 37 ? 87.040 89.717 67.953 1.00 0.00 ? 118 ARG A HH11 1 ATOM 370 H HH12 . ARG A 1 37 ? 87.810 90.987 67.064 1.00 0.00 ? 118 ARG A HH12 1 ATOM 371 H HH21 . ARG A 1 37 ? 84.978 92.298 65.717 1.00 0.00 ? 118 ARG A HH21 1 ATOM 372 H HH22 . ARG A 1 37 ? 86.703 92.399 65.856 1.00 0.00 ? 118 ARG A HH22 1 ATOM 373 N N . GLU A 1 38 ? 84.434 87.903 63.733 1.00 15.74 ? 119 GLU A N 1 ATOM 374 C CA . GLU A 1 38 ? 84.836 88.296 62.403 1.00 15.94 ? 119 GLU A CA 1 ATOM 375 C C . GLU A 1 38 ? 83.899 87.697 61.353 1.00 16.84 ? 119 GLU A C 1 ATOM 376 O O . GLU A 1 38 ? 84.356 86.977 60.462 1.00 16.90 ? 119 GLU A O 1 ATOM 377 C CB . GLU A 1 38 ? 86.298 87.883 62.069 1.00 17.15 ? 119 GLU A CB 1 ATOM 378 C CG . GLU A 1 38 ? 87.342 88.488 62.989 1.00 17.29 ? 119 GLU A CG 1 ATOM 379 C CD . GLU A 1 38 ? 87.424 87.746 64.295 1.00 19.28 ? 119 GLU A CD 1 ATOM 380 O OE1 . GLU A 1 38 ? 87.381 86.516 64.238 1.00 20.12 ? 119 GLU A OE1 1 ATOM 381 O OE2 . GLU A 1 38 ? 87.523 88.366 65.362 1.00 19.95 ? 119 GLU A OE2 1 ATOM 382 H H . GLU A 1 38 ? 84.347 88.604 64.405 1.00 0.00 ? 119 GLU A H 1 ATOM 383 N N . PRO A 1 39 ? 82.567 87.970 61.382 1.00 17.81 ? 120 PRO A N 1 ATOM 384 C CA . PRO A 1 39 ? 81.608 87.543 60.367 1.00 15.91 ? 120 PRO A CA 1 ATOM 385 C C . PRO A 1 39 ? 81.650 88.325 59.090 1.00 16.01 ? 120 PRO A C 1 ATOM 386 O O . PRO A 1 39 ? 82.191 89.412 59.063 1.00 18.39 ? 120 PRO A O 1 ATOM 387 C CB . PRO A 1 39 ? 80.278 87.690 61.013 1.00 17.10 ? 120 PRO A CB 1 ATOM 388 C CG . PRO A 1 39 ? 80.479 88.976 61.771 1.00 17.69 ? 120 PRO A CG 1 ATOM 389 C CD . PRO A 1 39 ? 81.860 88.774 62.379 1.00 16.90 ? 120 PRO A CD 1 ATOM 390 N N . TYR A 1 40 ? 81.108 87.874 57.995 1.00 14.67 ? 121 TYR A N 1 ATOM 391 C CA . TYR A 1 40 ? 81.067 88.641 56.780 1.00 13.07 ? 121 TYR A CA 1 ATOM 392 C C . TYR A 1 40 ? 80.055 87.974 55.899 1.00 14.63 ? 121 TYR A C 1 ATOM 393 O O . TYR A 1 40 ? 79.584 86.884 56.271 1.00 17.06 ? 121 TYR A O 1 ATOM 394 C CB . TYR A 1 40 ? 82.373 88.687 56.055 1.00 12.46 ? 121 TYR A CB 1 ATOM 395 C CG . TYR A 1 40 ? 83.219 87.462 55.715 1.00 12.32 ? 121 TYR A CG 1 ATOM 396 C CD1 . TYR A 1 40 ? 83.997 86.862 56.682 1.00 11.21 ? 121 TYR A CD1 1 ATOM 397 C CD2 . TYR A 1 40 ? 83.234 87.035 54.407 1.00 11.52 ? 121 TYR A CD2 1 ATOM 398 C CE1 . TYR A 1 40 ? 84.795 85.817 56.331 1.00 12.80 ? 121 TYR A CE1 1 ATOM 399 C CE2 . TYR A 1 40 ? 84.043 85.999 54.055 1.00 12.80 ? 121 TYR A CE2 1 ATOM 400 C CZ . TYR A 1 40 ? 84.800 85.410 55.027 1.00 12.53 ? 121 TYR A CZ 1 ATOM 401 O OH . TYR A 1 40 ? 85.567 84.347 54.649 1.00 15.49 ? 121 TYR A OH 1 ATOM 402 H H . TYR A 1 40 ? 80.696 86.981 57.993 1.00 0.00 ? 121 TYR A H 1 ATOM 403 H HH . TYR A 1 40 ? 86.103 84.070 55.412 1.00 0.00 ? 121 TYR A HH 1 ATOM 404 N N . VAL A 1 41 ? 79.556 88.553 54.825 1.00 12.59 ? 122 VAL A N 1 ATOM 405 C CA . VAL A 1 41 ? 78.638 87.750 54.077 1.00 12.58 ? 122 VAL A CA 1 ATOM 406 C C . VAL A 1 41 ? 79.123 87.997 52.677 1.00 12.26 ? 122 VAL A C 1 ATOM 407 O O . VAL A 1 41 ? 79.727 89.015 52.325 1.00 12.30 ? 122 VAL A O 1 ATOM 408 C CB . VAL A 1 41 ? 77.037 88.100 54.340 1.00 12.69 ? 122 VAL A CB 1 ATOM 409 C CG1 . VAL A 1 41 ? 76.844 88.875 55.601 1.00 9.58 ? 122 VAL A CG1 1 ATOM 410 C CG2 . VAL A 1 41 ? 76.403 88.720 53.131 1.00 12.48 ? 122 VAL A CG2 1 ATOM 411 H H . VAL A 1 41 ? 79.882 89.403 54.455 1.00 0.00 ? 122 VAL A H 1 ATOM 412 N N . SER A 1 42 ? 79.104 86.931 51.919 1.00 13.99 ? 123 SER A N 1 ATOM 413 C CA . SER A 1 42 ? 79.534 87.027 50.540 1.00 13.45 ? 123 SER A CA 1 ATOM 414 C C . SER A 1 42 ? 78.373 86.293 49.897 1.00 14.45 ? 123 SER A C 1 ATOM 415 O O . SER A 1 42 ? 77.635 85.486 50.504 1.00 13.25 ? 123 SER A O 1 ATOM 416 C CB . SER A 1 42 ? 80.893 86.363 50.267 1.00 12.36 ? 123 SER A CB 1 ATOM 417 O OG . SER A 1 42 ? 81.168 86.705 48.901 1.00 11.79 ? 123 SER A OG 1 ATOM 418 H H . SER A 1 42 ? 78.684 86.097 52.240 1.00 0.00 ? 123 SER A H 1 ATOM 419 H HG . SER A 1 42 ? 82.071 86.474 48.648 1.00 0.00 ? 123 SER A HG 1 ATOM 420 N N . CYS A 1 43 ? 78.311 86.505 48.593 1.00 16.81 ? 124 CYS A N 1 ATOM 421 C CA . CYS A 1 43 ? 77.154 86.064 47.880 1.00 20.38 ? 124 CYS A CA 1 ATOM 422 C C . CYS A 1 43 ? 77.432 85.517 46.482 1.00 22.23 ? 124 CYS A C 1 ATOM 423 O O . CYS A 1 43 ? 78.113 86.150 45.652 1.00 24.09 ? 124 CYS A O 1 ATOM 424 C CB . CYS A 1 43 ? 76.496 87.414 48.182 1.00 21.34 ? 124 CYS A CB 1 ATOM 425 S SG . CYS A 1 43 ? 74.804 87.689 47.871 1.00 24.35 ? 124 CYS A SG 1 ATOM 426 H H . CYS A 1 43 ? 79.081 86.862 48.095 1.00 0.00 ? 124 CYS A H 1 ATOM 427 N N . ASP A 1 44 ? 77.008 84.288 46.181 1.00 23.26 ? 125 ASP A N 1 ATOM 428 C CA . ASP A 1 44 ? 77.293 83.718 44.876 1.00 23.31 ? 125 ASP A CA 1 ATOM 429 C C . ASP A 1 44 ? 76.277 84.233 43.881 1.00 21.85 ? 125 ASP A C 1 ATOM 430 O O . ASP A 1 44 ? 75.361 84.893 44.322 1.00 23.77 ? 125 ASP A O 1 ATOM 431 C CB . ASP A 1 44 ? 77.272 82.189 45.005 1.00 26.55 ? 125 ASP A CB 1 ATOM 432 C CG . ASP A 1 44 ? 75.899 81.517 44.948 1.00 29.64 ? 125 ASP A CG 1 ATOM 433 O OD1 . ASP A 1 44 ? 75.368 81.329 43.861 1.00 30.94 ? 125 ASP A OD1 1 ATOM 434 O OD2 . ASP A 1 44 ? 75.348 81.169 45.982 1.00 31.09 ? 125 ASP A OD2 1 ATOM 435 H H . ASP A 1 44 ? 76.366 83.851 46.783 1.00 0.00 ? 125 ASP A H 1 ATOM 436 N N . PRO A 1 45 ? 76.250 83.971 42.586 1.00 21.25 ? 126 PRO A N 1 ATOM 437 C CA . PRO A 1 45 ? 75.248 84.541 41.691 1.00 21.77 ? 126 PRO A CA 1 ATOM 438 C C . PRO A 1 45 ? 73.794 84.167 41.844 1.00 23.66 ? 126 PRO A C 1 ATOM 439 O O . PRO A 1 45 ? 73.010 84.588 41.001 1.00 24.56 ? 126 PRO A O 1 ATOM 440 C CB . PRO A 1 45 ? 75.743 84.221 40.289 1.00 21.43 ? 126 PRO A CB 1 ATOM 441 C CG . PRO A 1 45 ? 76.679 83.055 40.500 1.00 22.25 ? 126 PRO A CG 1 ATOM 442 C CD . PRO A 1 45 ? 77.324 83.343 41.834 1.00 20.79 ? 126 PRO A CD 1 ATOM 443 N N . VAL A 1 46 ? 73.394 83.334 42.811 1.00 25.47 ? 127 VAL A N 1 ATOM 444 C CA . VAL A 1 46 ? 71.995 82.954 42.996 1.00 24.87 ? 127 VAL A CA 1 ATOM 445 C C . VAL A 1 46 ? 71.647 83.235 44.433 1.00 24.55 ? 127 VAL A C 1 ATOM 446 O O . VAL A 1 46 ? 70.500 83.604 44.648 1.00 26.76 ? 127 VAL A O 1 ATOM 447 C CB . VAL A 1 46 ? 71.645 81.431 42.745 1.00 25.91 ? 127 VAL A CB 1 ATOM 448 C CG1 . VAL A 1 46 ? 72.332 81.009 41.457 1.00 27.09 ? 127 VAL A CG1 1 ATOM 449 C CG2 . VAL A 1 46 ? 72.103 80.486 43.864 1.00 26.89 ? 127 VAL A CG2 1 ATOM 450 H H . VAL A 1 46 ? 74.055 83.089 43.480 1.00 0.00 ? 127 VAL A H 1 ATOM 451 N N . LYS A 1 47 ? 72.538 83.081 45.434 1.00 23.35 ? 128 LYS A N 1 ATOM 452 C CA . LYS A 1 47 ? 72.133 83.355 46.794 1.00 23.04 ? 128 LYS A CA 1 ATOM 453 C C . LYS A 1 47 ? 73.264 83.840 47.669 1.00 21.48 ? 128 LYS A C 1 ATOM 454 O O . LYS A 1 47 ? 74.406 83.751 47.248 1.00 24.04 ? 128 LYS A O 1 ATOM 455 C CB . LYS A 1 47 ? 71.528 82.111 47.427 1.00 24.78 ? 128 LYS A CB 1 ATOM 456 C CG . LYS A 1 47 ? 72.491 80.997 47.651 1.00 26.25 ? 128 LYS A CG 1 ATOM 457 C CD . LYS A 1 47 ? 71.836 79.967 48.524 1.00 28.20 ? 128 LYS A CD 1 ATOM 458 C CE . LYS A 1 47 ? 70.921 79.044 47.715 1.00 30.18 ? 128 LYS A CE 1 ATOM 459 N NZ . LYS A 1 47 ? 70.428 77.998 48.590 1.00 30.78 ? 128 LYS A NZ 1 ATOM 460 H H . LYS A 1 47 ? 73.488 82.916 45.278 1.00 0.00 ? 128 LYS A H 1 ATOM 461 H HZ1 . LYS A 1 47 ? 71.234 77.471 48.986 1.00 0.00 ? 128 LYS A HZ1 1 ATOM 462 H HZ2 . LYS A 1 47 ? 69.878 78.422 49.364 1.00 0.00 ? 128 LYS A HZ2 1 ATOM 463 H HZ3 . LYS A 1 47 ? 69.819 77.350 48.052 1.00 0.00 ? 128 LYS A HZ3 1 ATOM 464 N N . CYS A 1 48 ? 72.991 84.260 48.886 1.00 18.66 ? 129 CYS A N 1 ATOM 465 C CA . CYS A 1 48 ? 73.996 84.759 49.777 1.00 19.98 ? 129 CYS A CA 1 ATOM 466 C C . CYS A 1 48 ? 74.279 83.861 50.950 1.00 18.97 ? 129 CYS A C 1 ATOM 467 O O . CYS A 1 48 ? 73.346 83.227 51.472 1.00 20.85 ? 129 CYS A O 1 ATOM 468 C CB . CYS A 1 48 ? 73.630 86.102 50.421 1.00 20.91 ? 129 CYS A CB 1 ATOM 469 S SG . CYS A 1 48 ? 73.633 87.640 49.492 1.00 22.06 ? 129 CYS A SG 1 ATOM 470 H H . CYS A 1 48 ? 72.065 84.250 49.212 1.00 0.00 ? 129 CYS A H 1 ATOM 471 N N . TYR A 1 49 ? 75.512 83.963 51.473 1.00 15.12 ? 130 TYR A N 1 ATOM 472 C CA . TYR A 1 49 ? 75.926 83.157 52.593 1.00 11.85 ? 130 TYR A CA 1 ATOM 473 C C . TYR A 1 49 ? 76.564 84.016 53.636 1.00 11.39 ? 130 TYR A C 1 ATOM 474 O O . TYR A 1 49 ? 77.192 85.019 53.312 1.00 13.57 ? 130 TYR A O 1 ATOM 475 C CB . TYR A 1 49 ? 76.955 82.109 52.167 1.00 10.63 ? 130 TYR A CB 1 ATOM 476 C CG . TYR A 1 49 ? 76.406 81.208 51.097 1.00 11.30 ? 130 TYR A CG 1 ATOM 477 C CD1 . TYR A 1 49 ? 76.453 81.627 49.790 1.00 11.21 ? 130 TYR A CD1 1 ATOM 478 C CD2 . TYR A 1 49 ? 75.848 79.980 51.445 1.00 13.40 ? 130 TYR A CD2 1 ATOM 479 C CE1 . TYR A 1 49 ? 75.933 80.798 48.840 1.00 11.24 ? 130 TYR A CE1 1 ATOM 480 C CE2 . TYR A 1 49 ? 75.330 79.142 50.492 1.00 10.71 ? 130 TYR A CE2 1 ATOM 481 C CZ . TYR A 1 49 ? 75.384 79.565 49.191 1.00 12.03 ? 130 TYR A CZ 1 ATOM 482 O OH . TYR A 1 49 ? 74.920 78.719 48.186 1.00 13.28 ? 130 TYR A OH 1 ATOM 483 H H . TYR A 1 49 ? 76.134 84.648 51.169 1.00 0.00 ? 130 TYR A H 1 ATOM 484 H HH . TYR A 1 49 ? 74.958 79.159 47.338 1.00 0.00 ? 130 TYR A HH 1 ATOM 485 N N . GLN A 1 50 ? 76.379 83.643 54.866 1.00 9.71 ? 131 GLN A N 1 ATOM 486 C CA . GLN A 1 50 ? 76.999 84.321 55.930 1.00 11.90 ? 131 GLN A CA 1 ATOM 487 C C . GLN A 1 50 ? 78.178 83.398 56.373 1.00 17.10 ? 131 GLN A C 1 ATOM 488 O O . GLN A 1 50 ? 78.066 82.144 56.417 1.00 17.42 ? 131 GLN A O 1 ATOM 489 C CB . GLN A 1 50 ? 76.045 84.509 57.059 1.00 11.25 ? 131 GLN A CB 1 ATOM 490 C CG . GLN A 1 50 ? 75.301 83.331 57.608 1.00 11.50 ? 131 GLN A CG 1 ATOM 491 C CD . GLN A 1 50 ? 74.452 83.798 58.769 1.00 12.25 ? 131 GLN A CD 1 ATOM 492 O OE1 . GLN A 1 50 ? 74.692 83.472 59.922 1.00 12.75 ? 131 GLN A OE1 1 ATOM 493 N NE2 . GLN A 1 50 ? 73.458 84.650 58.520 1.00 12.60 ? 131 GLN A NE2 1 ATOM 494 H H . GLN A 1 50 ? 75.967 82.769 55.022 1.00 0.00 ? 131 GLN A H 1 ATOM 495 H HE21 . GLN A 1 50 ? 72.949 84.965 59.298 1.00 0.00 ? 131 GLN A HE21 1 ATOM 496 H HE22 . GLN A 1 50 ? 73.321 84.962 57.613 1.00 0.00 ? 131 GLN A HE22 1 ATOM 497 N N . PHE A 1 51 ? 79.340 84.028 56.694 1.00 16.79 ? 132 PHE A N 1 ATOM 498 C CA . PHE A 1 51 ? 80.553 83.358 57.124 1.00 13.66 ? 132 PHE A CA 1 ATOM 499 C C . PHE A 1 51 ? 81.022 83.916 58.443 1.00 14.37 ? 132 PHE A C 1 ATOM 500 O O . PHE A 1 51 ? 80.687 85.033 58.809 1.00 15.24 ? 132 PHE A O 1 ATOM 501 C CB . PHE A 1 51 ? 81.650 83.597 56.181 1.00 10.69 ? 132 PHE A CB 1 ATOM 502 C CG . PHE A 1 51 ? 81.365 83.287 54.733 1.00 7.99 ? 132 PHE A CG 1 ATOM 503 C CD1 . PHE A 1 51 ? 80.615 84.141 53.987 1.00 8.64 ? 132 PHE A CD1 1 ATOM 504 C CD2 . PHE A 1 51 ? 81.927 82.179 54.166 1.00 8.66 ? 132 PHE A CD2 1 ATOM 505 C CE1 . PHE A 1 51 ? 80.426 83.881 52.650 1.00 8.53 ? 132 PHE A CE1 1 ATOM 506 C CE2 . PHE A 1 51 ? 81.744 81.916 52.832 1.00 8.67 ? 132 PHE A CE2 1 ATOM 507 C CZ . PHE A 1 51 ? 80.992 82.779 52.073 1.00 9.96 ? 132 PHE A CZ 1 ATOM 508 H H . PHE A 1 51 ? 79.345 85.006 56.713 1.00 0.00 ? 132 PHE A H 1 ATOM 509 N N . ALA A 1 52 ? 81.766 83.175 59.222 1.00 16.04 ? 133 ALA A N 1 ATOM 510 C CA . ALA A 1 52 ? 82.315 83.660 60.484 1.00 17.51 ? 133 ALA A CA 1 ATOM 511 C C . ALA A 1 52 ? 83.459 82.720 60.882 1.00 19.38 ? 133 ALA A C 1 ATOM 512 O O . ALA A 1 52 ? 83.594 81.583 60.395 1.00 20.67 ? 133 ALA A O 1 ATOM 513 C CB . ALA A 1 52 ? 81.318 83.652 61.605 1.00 15.45 ? 133 ALA A CB 1 ATOM 514 H H . ALA A 1 52 ? 81.975 82.255 58.943 1.00 0.00 ? 133 ALA A H 1 ATOM 515 N N . LEU A 1 53 ? 84.329 83.198 61.752 1.00 18.52 ? 134 LEU A N 1 ATOM 516 C CA . LEU A 1 53 ? 85.442 82.419 62.193 1.00 16.00 ? 134 LEU A CA 1 ATOM 517 C C . LEU A 1 53 ? 84.933 81.799 63.457 1.00 16.03 ? 134 LEU A C 1 ATOM 518 O O . LEU A 1 53 ? 84.689 82.533 64.417 1.00 16.69 ? 134 LEU A O 1 ATOM 519 C CB . LEU A 1 53 ? 86.603 83.367 62.419 1.00 14.28 ? 134 LEU A CB 1 ATOM 520 C CG . LEU A 1 53 ? 87.803 83.363 61.487 1.00 13.48 ? 134 LEU A CG 1 ATOM 521 C CD1 . LEU A 1 53 ? 87.480 82.987 60.053 1.00 13.60 ? 134 LEU A CD1 1 ATOM 522 C CD2 . LEU A 1 53 ? 88.346 84.755 61.502 1.00 13.06 ? 134 LEU A CD2 1 ATOM 523 H H . LEU A 1 53 ? 84.194 84.081 62.161 1.00 0.00 ? 134 LEU A H 1 ATOM 524 N N . GLY A 1 54 ? 84.707 80.488 63.501 1.00 16.51 ? 135 GLY A N 1 ATOM 525 C CA . GLY A 1 54 ? 84.224 79.876 64.739 1.00 16.21 ? 135 GLY A CA 1 ATOM 526 C C . GLY A 1 54 ? 85.318 79.697 65.772 1.00 16.52 ? 135 GLY A C 1 ATOM 527 O O . GLY A 1 54 ? 86.479 79.757 65.423 1.00 18.07 ? 135 GLY A O 1 ATOM 528 H H . GLY A 1 54 ? 84.973 79.933 62.740 1.00 0.00 ? 135 GLY A H 1 ATOM 529 N N . GLN A 1 55 ? 85.050 79.516 67.045 1.00 16.55 ? 136 GLN A N 1 ATOM 530 C CA . GLN A 1 55 ? 86.086 79.281 68.019 1.00 18.58 ? 136 GLN A CA 1 ATOM 531 C C . GLN A 1 55 ? 86.095 77.782 68.330 1.00 19.58 ? 136 GLN A C 1 ATOM 532 O O . GLN A 1 55 ? 86.360 77.389 69.469 1.00 18.48 ? 136 GLN A O 1 ATOM 533 C CB . GLN A 1 55 ? 85.777 80.062 69.270 1.00 20.79 ? 136 GLN A CB 1 ATOM 534 C CG . GLN A 1 55 ? 85.990 81.544 69.123 1.00 22.96 ? 136 GLN A CG 1 ATOM 535 C CD . GLN A 1 55 ? 87.449 81.988 69.008 1.00 24.78 ? 136 GLN A CD 1 ATOM 536 O OE1 . GLN A 1 55 ? 88.416 81.237 69.131 1.00 24.64 ? 136 GLN A OE1 1 ATOM 537 N NE2 . GLN A 1 55 ? 87.668 83.275 68.797 1.00 26.28 ? 136 GLN A NE2 1 ATOM 538 H H . GLN A 1 55 ? 84.120 79.631 67.336 1.00 0.00 ? 136 GLN A H 1 ATOM 539 H HE21 . GLN A 1 55 ? 88.587 83.592 68.688 1.00 0.00 ? 136 GLN A HE21 1 ATOM 540 H HE22 . GLN A 1 55 ? 86.875 83.857 68.772 1.00 0.00 ? 136 GLN A HE22 1 ATOM 541 N N . GLY A 1 56 ? 85.822 76.892 67.364 1.00 20.40 ? 137 GLY A N 1 ATOM 542 C CA . GLY A 1 56 ? 85.779 75.448 67.617 1.00 22.87 ? 137 GLY A CA 1 ATOM 543 C C . GLY A 1 56 ? 84.925 74.995 68.819 1.00 23.31 ? 137 GLY A C 1 ATOM 544 O O . GLY A 1 56 ? 85.231 73.982 69.465 1.00 23.53 ? 137 GLY A O 1 ATOM 545 H H . GLY A 1 56 ? 85.796 77.191 66.434 1.00 0.00 ? 137 GLY A H 1 ATOM 546 N N . THR A 1 57 ? 83.835 75.696 69.139 1.00 22.46 ? 138 THR A N 1 ATOM 547 C CA . THR A 1 57 ? 82.970 75.381 70.275 1.00 22.58 ? 138 THR A CA 1 ATOM 548 C C . THR A 1 57 ? 81.612 76.094 70.113 1.00 23.02 ? 138 THR A C 1 ATOM 549 O O . THR A 1 57 ? 81.405 76.891 69.170 1.00 20.92 ? 138 THR A O 1 ATOM 550 C CB . THR A 1 57 ? 83.736 75.820 71.550 1.00 22.57 ? 138 THR A CB 1 ATOM 551 O OG1 . THR A 1 57 ? 83.007 75.362 72.673 1.00 24.32 ? 138 THR A OG1 1 ATOM 552 C CG2 . THR A 1 57 ? 83.884 77.327 71.678 1.00 23.85 ? 138 THR A CG2 1 ATOM 553 H H . THR A 1 57 ? 83.597 76.472 68.596 1.00 0.00 ? 138 THR A H 1 ATOM 554 H HG1 . THR A 1 57 ? 82.635 74.492 72.478 1.00 0.00 ? 138 THR A HG1 1 ATOM 555 N N . THR A 1 58 ? 80.657 75.702 70.963 1.00 23.64 ? 139 THR A N 1 ATOM 556 C CA . THR A 1 58 ? 79.321 76.252 70.995 1.00 24.52 ? 139 THR A CA 1 ATOM 557 C C . THR A 1 58 ? 79.295 77.118 72.254 1.00 27.01 ? 139 THR A C 1 ATOM 558 O O . THR A 1 58 ? 80.208 77.031 73.095 1.00 27.95 ? 139 THR A O 1 ATOM 559 C CB . THR A 1 58 ? 78.229 75.137 71.044 1.00 23.21 ? 139 THR A CB 1 ATOM 560 O OG1 . THR A 1 58 ? 78.559 74.202 72.051 1.00 24.19 ? 139 THR A OG1 1 ATOM 561 C CG2 . THR A 1 58 ? 78.065 74.507 69.675 1.00 21.05 ? 139 THR A CG2 1 ATOM 562 H H . THR A 1 58 ? 80.856 75.079 71.692 1.00 0.00 ? 139 THR A H 1 ATOM 563 H HG1 . THR A 1 58 ? 78.468 73.293 71.717 1.00 0.00 ? 139 THR A HG1 1 ATOM 564 N N . LEU A 1 59 ? 78.317 78.024 72.415 1.00 27.53 ? 140 LEU A N 1 ATOM 565 C CA . LEU A 1 59 ? 78.322 78.899 73.577 1.00 27.57 ? 140 LEU A CA 1 ATOM 566 C C . LEU A 1 59 ? 78.017 78.207 74.887 1.00 28.83 ? 140 LEU A C 1 ATOM 567 O O . LEU A 1 59 ? 78.653 78.486 75.914 1.00 28.44 ? 140 LEU A O 1 ATOM 568 C CB . LEU A 1 59 ? 77.346 80.038 73.260 1.00 26.42 ? 140 LEU A CB 1 ATOM 569 C CG . LEU A 1 59 ? 77.418 81.333 74.046 1.00 25.08 ? 140 LEU A CG 1 ATOM 570 C CD1 . LEU A 1 59 ? 77.072 82.453 73.098 1.00 24.50 ? 140 LEU A CD1 1 ATOM 571 C CD2 . LEU A 1 59 ? 76.526 81.269 75.274 1.00 24.06 ? 140 LEU A CD2 1 ATOM 572 H H . LEU A 1 59 ? 77.634 78.122 71.718 1.00 0.00 ? 140 LEU A H 1 ATOM 573 N N . ASP A 1 60 ? 77.046 77.294 74.912 1.00 30.99 ? 141 ASP A N 1 ATOM 574 C CA . ASP A 1 60 ? 76.749 76.623 76.162 1.00 32.91 ? 141 ASP A CA 1 ATOM 575 C C . ASP A 1 60 ? 77.580 75.346 76.087 1.00 33.80 ? 141 ASP A C 1 ATOM 576 O O . ASP A 1 60 ? 77.113 74.244 75.784 1.00 34.29 ? 141 ASP A O 1 ATOM 577 C CB . ASP A 1 60 ? 75.268 76.340 76.233 1.00 33.51 ? 141 ASP A CB 1 ATOM 578 C CG . ASP A 1 60 ? 74.779 76.050 77.647 1.00 35.40 ? 141 ASP A CG 1 ATOM 579 O OD1 . ASP A 1 60 ? 75.568 75.897 78.589 1.00 36.09 ? 141 ASP A OD1 1 ATOM 580 O OD2 . ASP A 1 60 ? 73.564 75.993 77.812 1.00 37.43 ? 141 ASP A OD2 1 ATOM 581 H H . ASP A 1 60 ? 76.592 77.004 74.090 1.00 0.00 ? 141 ASP A H 1 ATOM 582 N N . ASN A 1 61 ? 78.866 75.583 76.326 1.00 33.22 ? 142 ASN A N 1 ATOM 583 C CA . ASN A 1 61 ? 79.897 74.581 76.275 1.00 32.32 ? 142 ASN A CA 1 ATOM 584 C C . ASN A 1 61 ? 81.004 75.066 77.206 1.00 33.37 ? 142 ASN A C 1 ATOM 585 O O . ASN A 1 61 ? 81.374 76.227 77.083 1.00 34.57 ? 142 ASN A O 1 ATOM 586 C CB . ASN A 1 61 ? 80.345 74.527 74.832 1.00 31.60 ? 142 ASN A CB 1 ATOM 587 C CG . ASN A 1 61 ? 81.204 73.357 74.439 1.00 30.73 ? 142 ASN A CG 1 ATOM 588 O OD1 . ASN A 1 61 ? 81.200 72.919 73.299 1.00 30.57 ? 142 ASN A OD1 1 ATOM 589 N ND2 . ASN A 1 61 ? 82.016 72.758 75.281 1.00 30.21 ? 142 ASN A ND2 1 ATOM 590 H H . ASN A 1 61 ? 79.151 76.503 76.535 1.00 0.00 ? 142 ASN A H 1 ATOM 591 H HD21 . ASN A 1 61 ? 82.347 71.909 74.923 1.00 0.00 ? 142 ASN A HD21 1 ATOM 592 H HD22 . ASN A 1 61 ? 82.133 73.068 76.193 1.00 0.00 ? 142 ASN A HD22 1 ATOM 593 N N . LYS A 1 62 ? 81.652 74.327 78.132 1.00 33.43 ? 143 LYS A N 1 ATOM 594 C CA . LYS A 1 62 ? 82.703 74.923 78.969 1.00 31.96 ? 143 LYS A CA 1 ATOM 595 C C . LYS A 1 62 ? 83.923 75.423 78.207 1.00 32.04 ? 143 LYS A C 1 ATOM 596 O O . LYS A 1 62 ? 84.693 76.244 78.690 1.00 30.79 ? 143 LYS A O 1 ATOM 597 C CB . LYS A 1 62 ? 83.175 73.944 80.004 1.00 32.43 ? 143 LYS A CB 1 ATOM 598 C CG . LYS A 1 62 ? 82.111 73.501 80.981 1.00 33.71 ? 143 LYS A CG 1 ATOM 599 C CD . LYS A 1 62 ? 82.718 73.392 82.365 1.00 35.56 ? 143 LYS A CD 1 ATOM 600 C CE . LYS A 1 62 ? 81.871 72.584 83.358 1.00 37.27 ? 143 LYS A CE 1 ATOM 601 N NZ . LYS A 1 62 ? 82.343 71.201 83.399 1.00 41.17 ? 143 LYS A NZ 1 ATOM 602 H H . LYS A 1 62 ? 81.314 73.432 78.351 1.00 0.00 ? 143 LYS A H 1 ATOM 603 H HZ1 . LYS A 1 62 ? 83.344 71.180 83.688 1.00 0.00 ? 143 LYS A HZ1 1 ATOM 604 H HZ2 . LYS A 1 62 ? 81.785 70.630 84.065 1.00 0.00 ? 143 LYS A HZ2 1 ATOM 605 H HZ3 . LYS A 1 62 ? 82.265 70.795 82.444 1.00 0.00 ? 143 LYS A HZ3 1 ATOM 606 N N . HIS A 1 63 ? 84.042 74.995 76.953 1.00 33.47 ? 144 HIS A N 1 ATOM 607 C CA . HIS A 1 63 ? 85.141 75.383 76.097 1.00 35.09 ? 144 HIS A CA 1 ATOM 608 C C . HIS A 1 63 ? 84.901 76.788 75.565 1.00 35.86 ? 144 HIS A C 1 ATOM 609 O O . HIS A 1 63 ? 85.727 77.273 74.793 1.00 35.70 ? 144 HIS A O 1 ATOM 610 C CB . HIS A 1 63 ? 85.300 74.449 74.877 1.00 36.59 ? 144 HIS A CB 1 ATOM 611 C CG . HIS A 1 63 ? 85.596 72.980 75.177 1.00 38.19 ? 144 HIS A CG 1 ATOM 612 N ND1 . HIS A 1 63 ? 84.865 71.919 74.829 1.00 39.01 ? 144 HIS A ND1 1 ATOM 613 C CD2 . HIS A 1 63 ? 86.648 72.521 75.933 1.00 38.24 ? 144 HIS A CD2 1 ATOM 614 C CE1 . HIS A 1 63 ? 85.416 70.856 75.363 1.00 39.14 ? 144 HIS A CE1 1 ATOM 615 N NE2 . HIS A 1 63 ? 86.485 71.230 76.022 1.00 38.67 ? 144 HIS A NE2 1 ATOM 616 H H . HIS A 1 63 ? 83.268 74.583 76.538 1.00 0.00 ? 144 HIS A H 1 ATOM 617 H HD1 . HIS A 1 63 ? 84.173 71.885 74.120 1.00 0.00 ? 144 HIS A HD1 1 ATOM 618 H HE2 . HIS A 1 63 ? 86.967 70.616 76.623 1.00 0.00 ? 144 HIS A HE2 1 ATOM 619 N N . SER A 1 64 ? 83.798 77.469 75.884 1.00 36.39 ? 145 SER A N 1 ATOM 620 C CA . SER A 1 64 ? 83.600 78.812 75.376 1.00 36.59 ? 145 SER A CA 1 ATOM 621 C C . SER A 1 64 ? 84.350 79.823 76.242 1.00 37.32 ? 145 SER A C 1 ATOM 622 O O . SER A 1 64 ? 84.580 80.965 75.833 1.00 35.82 ? 145 SER A O 1 ATOM 623 C CB . SER A 1 64 ? 82.103 79.080 75.355 1.00 36.57 ? 145 SER A CB 1 ATOM 624 O OG . SER A 1 64 ? 81.530 78.890 76.647 1.00 37.91 ? 145 SER A OG 1 ATOM 625 H H . SER A 1 64 ? 83.074 77.114 76.444 1.00 0.00 ? 145 SER A H 1 ATOM 626 H HG . SER A 1 64 ? 80.568 78.824 76.543 1.00 0.00 ? 145 SER A HG 1 ATOM 627 N N . ASN A 1 65 ? 84.744 79.431 77.455 1.00 39.79 ? 146 ASN A N 1 ATOM 628 C CA . ASN A 1 65 ? 85.476 80.284 78.381 1.00 42.77 ? 146 ASN A CA 1 ATOM 629 C C . ASN A 1 65 ? 86.770 80.714 77.737 1.00 41.15 ? 146 ASN A C 1 ATOM 630 O O . ASN A 1 65 ? 87.501 79.876 77.217 1.00 40.90 ? 146 ASN A O 1 ATOM 631 C CB . ASN A 1 65 ? 85.822 79.544 79.668 1.00 48.53 ? 146 ASN A CB 1 ATOM 632 C CG . ASN A 1 65 ? 86.405 80.405 80.786 1.00 53.87 ? 146 ASN A CG 1 ATOM 633 O OD1 . ASN A 1 65 ? 86.740 81.583 80.620 1.00 53.50 ? 146 ASN A OD1 1 ATOM 634 N ND2 . ASN A 1 65 ? 86.473 79.781 81.967 1.00 59.68 ? 146 ASN A ND2 1 ATOM 635 H H . ASN A 1 65 ? 84.558 78.506 77.715 1.00 0.00 ? 146 ASN A H 1 ATOM 636 H HD21 . ASN A 1 65 ? 86.163 78.857 82.006 1.00 0.00 ? 146 ASN A HD21 1 ATOM 637 N N . ASP A 1 66 ? 86.986 82.023 77.726 1.00 39.59 ? 147 ASP A N 1 ATOM 638 C CA . ASP A 1 66 ? 88.153 82.664 77.171 1.00 38.10 ? 147 ASP A CA 1 ATOM 639 C C . ASP A 1 66 ? 88.283 82.649 75.662 1.00 36.24 ? 147 ASP A C 1 ATOM 640 O O . ASP A 1 66 ? 89.371 82.567 75.074 1.00 35.71 ? 147 ASP A O 1 ATOM 641 C CB . ASP A 1 66 ? 89.399 82.049 77.804 1.00 41.42 ? 147 ASP A CB 1 ATOM 642 C CG . ASP A 1 66 ? 90.568 82.955 78.180 1.00 43.68 ? 147 ASP A CG 1 ATOM 643 O OD1 . ASP A 1 66 ? 90.593 84.150 77.868 1.00 44.98 ? 147 ASP A OD1 1 ATOM 644 O OD2 . ASP A 1 66 ? 91.485 82.421 78.804 1.00 45.69 ? 147 ASP A OD2 1 ATOM 645 H H . ASP A 1 66 ? 86.311 82.580 78.169 1.00 0.00 ? 147 ASP A H 1 ATOM 646 N N . THR A 1 67 ? 87.171 82.856 74.984 1.00 34.65 ? 148 THR A N 1 ATOM 647 C CA . THR A 1 67 ? 87.196 82.903 73.536 1.00 33.19 ? 148 THR A CA 1 ATOM 648 C C . THR A 1 67 ? 87.512 84.309 73.000 1.00 33.01 ? 148 THR A C 1 ATOM 649 O O . THR A 1 67 ? 87.284 84.632 71.821 1.00 33.42 ? 148 THR A O 1 ATOM 650 C CB . THR A 1 67 ? 85.847 82.385 73.023 1.00 32.87 ? 148 THR A CB 1 ATOM 651 O OG1 . THR A 1 67 ? 84.793 82.804 73.894 1.00 32.82 ? 148 THR A OG1 1 ATOM 652 C CG2 . THR A 1 67 ? 85.912 80.885 72.922 1.00 32.84 ? 148 THR A CG2 1 ATOM 653 H H . THR A 1 67 ? 86.312 82.978 75.442 1.00 0.00 ? 148 THR A H 1 ATOM 654 H HG1 . THR A 1 67 ? 84.478 82.034 74.376 1.00 0.00 ? 148 THR A HG1 1 ATOM 655 N N . VAL A 1 68 ? 87.981 85.216 73.881 1.00 32.30 ? 149 VAL A N 1 ATOM 656 C CA . VAL A 1 68 ? 88.371 86.576 73.483 1.00 32.07 ? 149 VAL A CA 1 ATOM 657 C C . VAL A 1 68 ? 89.564 86.524 72.530 1.00 32.72 ? 149 VAL A C 1 ATOM 658 O O . VAL A 1 68 ? 89.766 87.386 71.680 1.00 33.09 ? 149 VAL A O 1 ATOM 659 C CB . VAL A 1 68 ? 88.888 87.509 74.603 1.00 31.53 ? 149 VAL A CB 1 ATOM 660 C CG1 . VAL A 1 68 ? 88.020 88.732 74.541 1.00 31.81 ? 149 VAL A CG1 1 ATOM 661 C CG2 . VAL A 1 68 ? 88.867 86.910 75.985 1.00 31.57 ? 149 VAL A CG2 1 ATOM 662 H H . VAL A 1 68 ? 87.899 84.985 74.826 1.00 0.00 ? 149 VAL A H 1 ATOM 663 N N . HIS A 1 69 ? 90.397 85.496 72.671 1.00 33.18 ? 150 HIS A N 1 ATOM 664 C CA . HIS A 1 69 ? 91.586 85.330 71.876 1.00 33.07 ? 150 HIS A CA 1 ATOM 665 C C . HIS A 1 69 ? 91.237 85.088 70.437 1.00 33.04 ? 150 HIS A C 1 ATOM 666 O O . HIS A 1 69 ? 90.453 84.243 70.024 1.00 32.44 ? 150 HIS A O 1 ATOM 667 C CB . HIS A 1 69 ? 92.392 84.177 72.433 1.00 35.35 ? 150 HIS A CB 1 ATOM 668 C CG . HIS A 1 69 ? 92.695 84.371 73.919 1.00 36.98 ? 150 HIS A CG 1 ATOM 669 N ND1 . HIS A 1 69 ? 93.301 85.386 74.548 1.00 36.80 ? 150 HIS A ND1 1 ATOM 670 C CD2 . HIS A 1 69 ? 92.309 83.461 74.878 1.00 37.93 ? 150 HIS A CD2 1 ATOM 671 C CE1 . HIS A 1 69 ? 93.286 85.122 75.837 1.00 38.09 ? 150 HIS A CE1 1 ATOM 672 N NE2 . HIS A 1 69 ? 92.691 83.967 76.021 1.00 38.51 ? 150 HIS A NE2 1 ATOM 673 H H . HIS A 1 69 ? 90.052 84.736 73.181 1.00 0.00 ? 150 HIS A H 1 ATOM 674 H HD1 . HIS A 1 69 ? 93.700 86.188 74.146 1.00 0.00 ? 150 HIS A HD1 1 ATOM 675 H HE2 . HIS A 1 69 ? 92.595 83.498 76.877 1.00 0.00 ? 150 HIS A HE2 1 ATOM 676 N N . ASP A 1 70 ? 91.925 85.867 69.657 1.00 33.64 ? 151 ASP A N 1 ATOM 677 C CA . ASP A 1 70 ? 91.707 85.832 68.240 1.00 35.11 ? 151 ASP A CA 1 ATOM 678 C C . ASP A 1 70 ? 92.313 84.675 67.481 1.00 33.43 ? 151 ASP A C 1 ATOM 679 O O . ASP A 1 70 ? 91.876 84.367 66.368 1.00 32.81 ? 151 ASP A O 1 ATOM 680 C CB . ASP A 1 70 ? 92.221 87.167 67.648 1.00 39.16 ? 151 ASP A CB 1 ATOM 681 C CG . ASP A 1 70 ? 91.702 88.502 68.239 1.00 42.66 ? 151 ASP A CG 1 ATOM 682 O OD1 . ASP A 1 70 ? 91.514 88.633 69.459 1.00 44.29 ? 151 ASP A OD1 1 ATOM 683 O OD2 . ASP A 1 70 ? 91.512 89.445 67.457 1.00 44.18 ? 151 ASP A OD2 1 ATOM 684 H H . ASP A 1 70 ? 92.502 86.560 70.031 1.00 0.00 ? 151 ASP A H 1 ATOM 685 N N . ARG A 1 71 ? 93.325 84.007 68.031 1.00 31.18 ? 152 ARG A N 1 ATOM 686 C CA . ARG A 1 71 ? 93.945 82.952 67.249 1.00 29.86 ? 152 ARG A CA 1 ATOM 687 C C . ARG A 1 71 ? 94.188 81.697 68.057 1.00 28.14 ? 152 ARG A C 1 ATOM 688 O O . ARG A 1 71 ? 94.844 81.784 69.090 1.00 28.86 ? 152 ARG A O 1 ATOM 689 C CB . ARG A 1 71 ? 95.267 83.480 66.693 1.00 29.14 ? 152 ARG A CB 1 ATOM 690 C CG . ARG A 1 71 ? 95.246 84.645 65.704 1.00 28.74 ? 152 ARG A CG 1 ATOM 691 C CD . ARG A 1 71 ? 96.646 85.238 65.473 1.00 29.61 ? 152 ARG A CD 1 ATOM 692 N NE . ARG A 1 71 ? 96.828 86.547 66.101 1.00 30.18 ? 152 ARG A NE 1 ATOM 693 C CZ . ARG A 1 71 ? 97.421 86.735 67.285 1.00 30.30 ? 152 ARG A CZ 1 ATOM 694 N NH1 . ARG A 1 71 ? 97.953 85.767 68.008 1.00 31.33 ? 152 ARG A NH1 1 ATOM 695 N NH2 . ARG A 1 71 ? 97.536 87.952 67.773 1.00 32.33 ? 152 ARG A NH2 1 ATOM 696 H H . ARG A 1 71 ? 93.591 84.124 68.961 1.00 0.00 ? 152 ARG A H 1 ATOM 697 H HE . ARG A 1 71 ? 96.509 87.338 65.620 1.00 0.00 ? 152 ARG A HE 1 ATOM 698 H HH11 . ARG A 1 71 ? 97.937 84.823 67.679 1.00 0.00 ? 152 ARG A HH11 1 ATOM 699 H HH12 . ARG A 1 71 ? 98.374 85.980 68.889 1.00 0.00 ? 152 ARG A HH12 1 ATOM 700 H HH21 . ARG A 1 71 ? 97.179 88.730 67.256 1.00 0.00 ? 152 ARG A HH21 1 ATOM 701 H HH22 . ARG A 1 71 ? 97.966 88.099 68.664 1.00 0.00 ? 152 ARG A HH22 1 ATOM 702 N N . ILE A 1 72 ? 93.569 80.567 67.701 1.00 26.14 ? 153 ILE A N 1 ATOM 703 C CA . ILE A 1 72 ? 93.765 79.289 68.377 1.00 22.88 ? 153 ILE A CA 1 ATOM 704 C C . ILE A 1 72 ? 93.711 78.274 67.248 1.00 23.11 ? 153 ILE A C 1 ATOM 705 O O . ILE A 1 72 ? 93.136 78.596 66.193 1.00 24.64 ? 153 ILE A O 1 ATOM 706 C CB . ILE A 1 72 ? 92.681 78.907 69.420 1.00 21.56 ? 153 ILE A CB 1 ATOM 707 C CG1 . ILE A 1 72 ? 91.273 79.072 68.939 1.00 21.18 ? 153 ILE A CG1 1 ATOM 708 C CG2 . ILE A 1 72 ? 92.931 79.776 70.622 1.00 21.46 ? 153 ILE A CG2 1 ATOM 709 C CD1 . ILE A 1 72 ? 90.301 78.328 69.853 1.00 19.77 ? 153 ILE A CD1 1 ATOM 710 H H . ILE A 1 72 ? 92.971 80.585 66.922 1.00 0.00 ? 153 ILE A H 1 ATOM 711 N N . PRO A 1 73 ? 94.268 77.044 67.298 1.00 22.96 ? 154 PRO A N 1 ATOM 712 C CA . PRO A 1 73 ? 94.251 76.120 66.138 1.00 21.92 ? 154 PRO A CA 1 ATOM 713 C C . PRO A 1 73 ? 92.848 75.582 65.729 1.00 20.54 ? 154 PRO A C 1 ATOM 714 O O . PRO A 1 73 ? 92.587 75.028 64.661 1.00 19.85 ? 154 PRO A O 1 ATOM 715 C CB . PRO A 1 73 ? 95.193 75.000 66.551 1.00 21.89 ? 154 PRO A CB 1 ATOM 716 C CG . PRO A 1 73 ? 95.890 75.471 67.804 1.00 22.20 ? 154 PRO A CG 1 ATOM 717 C CD . PRO A 1 73 ? 94.911 76.431 68.469 1.00 22.14 ? 154 PRO A CD 1 ATOM 718 N N . HIS A 1 74 ? 91.907 75.753 66.647 1.00 19.20 ? 155 HIS A N 1 ATOM 719 C CA . HIS A 1 74 ? 90.555 75.273 66.524 1.00 19.46 ? 155 HIS A CA 1 ATOM 720 C C . HIS A 1 74 ? 89.578 76.176 65.803 1.00 21.17 ? 155 HIS A C 1 ATOM 721 O O . HIS A 1 74 ? 88.398 75.851 65.785 1.00 22.56 ? 155 HIS A O 1 ATOM 722 C CB . HIS A 1 74 ? 90.106 74.982 67.933 1.00 18.18 ? 155 HIS A CB 1 ATOM 723 C CG . HIS A 1 74 ? 91.160 74.129 68.621 1.00 18.84 ? 155 HIS A CG 1 ATOM 724 N ND1 . HIS A 1 74 ? 91.925 73.186 68.080 1.00 19.93 ? 155 HIS A ND1 1 ATOM 725 C CD2 . HIS A 1 74 ? 91.548 74.249 69.921 1.00 20.15 ? 155 HIS A CD2 1 ATOM 726 C CE1 . HIS A 1 74 ? 92.757 72.736 68.975 1.00 19.79 ? 155 HIS A CE1 1 ATOM 727 N NE2 . HIS A 1 74 ? 92.516 73.389 70.079 1.00 19.91 ? 155 HIS A NE2 1 ATOM 728 H H . HIS A 1 74 ? 92.093 76.393 67.358 1.00 0.00 ? 155 HIS A H 1 ATOM 729 H HD1 . HIS A 1 74 ? 91.852 72.799 67.185 1.00 0.00 ? 155 HIS A HD1 1 ATOM 730 H HE2 . HIS A 1 74 ? 93.015 73.260 70.917 1.00 0.00 ? 155 HIS A HE2 1 ATOM 731 N N . ARG A 1 75 ? 90.031 77.278 65.192 1.00 21.89 ? 156 ARG A N 1 ATOM 732 C CA . ARG A 1 75 ? 89.150 78.190 64.516 1.00 20.89 ? 156 ARG A CA 1 ATOM 733 C C . ARG A 1 75 ? 89.062 77.679 63.100 1.00 20.85 ? 156 ARG A C 1 ATOM 734 O O . ARG A 1 75 ? 90.069 77.346 62.448 1.00 20.62 ? 156 ARG A O 1 ATOM 735 C CB . ARG A 1 75 ? 89.720 79.618 64.560 1.00 22.81 ? 156 ARG A CB 1 ATOM 736 C CG . ARG A 1 75 ? 90.069 80.092 65.964 1.00 24.29 ? 156 ARG A CG 1 ATOM 737 C CD . ARG A 1 75 ? 89.918 81.581 66.092 1.00 27.29 ? 156 ARG A CD 1 ATOM 738 N NE . ARG A 1 75 ? 88.502 81.925 66.062 1.00 31.43 ? 156 ARG A NE 1 ATOM 739 C CZ . ARG A 1 75 ? 88.042 83.146 65.752 1.00 33.11 ? 156 ARG A CZ 1 ATOM 740 N NH1 . ARG A 1 75 ? 88.861 84.161 65.506 1.00 36.39 ? 156 ARG A NH1 1 ATOM 741 N NH2 . ARG A 1 75 ? 86.744 83.395 65.735 1.00 32.04 ? 156 ARG A NH2 1 ATOM 742 H H . ARG A 1 75 ? 90.987 77.404 65.028 1.00 0.00 ? 156 ARG A H 1 ATOM 743 H HE . ARG A 1 75 ? 87.846 81.237 66.302 1.00 0.00 ? 156 ARG A HE 1 ATOM 744 H HH11 . ARG A 1 75 ? 89.850 84.024 65.574 1.00 0.00 ? 156 ARG A HH11 1 ATOM 745 H HH12 . ARG A 1 75 ? 88.499 85.067 65.288 1.00 0.00 ? 156 ARG A HH12 1 ATOM 746 H HH21 . ARG A 1 75 ? 86.094 82.662 65.937 1.00 0.00 ? 156 ARG A HH21 1 ATOM 747 H HH22 . ARG A 1 75 ? 86.415 84.307 65.485 1.00 0.00 ? 156 ARG A HH22 1 ATOM 748 N N . THR A 1 76 ? 87.823 77.694 62.617 1.00 20.31 ? 157 THR A N 1 ATOM 749 C CA . THR A 1 76 ? 87.458 77.227 61.290 1.00 18.06 ? 157 THR A CA 1 ATOM 750 C C . THR A 1 76 ? 86.553 78.246 60.596 1.00 16.15 ? 157 THR A C 1 ATOM 751 O O . THR A 1 76 ? 85.820 78.970 61.277 1.00 14.98 ? 157 THR A O 1 ATOM 752 C CB . THR A 1 76 ? 86.756 75.867 61.531 1.00 20.02 ? 157 THR A CB 1 ATOM 753 O OG1 . THR A 1 76 ? 85.871 76.145 62.654 1.00 21.95 ? 157 THR A OG1 1 ATOM 754 C CG2 . THR A 1 76 ? 87.703 74.672 61.783 1.00 19.36 ? 157 THR A CG2 1 ATOM 755 H H . THR A 1 76 ? 87.074 77.954 63.190 1.00 0.00 ? 157 THR A H 1 ATOM 756 H HG1 . THR A 1 76 ? 84.959 76.108 62.363 1.00 0.00 ? 157 THR A HG1 1 ATOM 757 N N . LEU A 1 77 ? 86.518 78.363 59.276 1.00 13.68 ? 158 LEU A N 1 ATOM 758 C CA . LEU A 1 77 ? 85.627 79.300 58.634 1.00 13.09 ? 158 LEU A CA 1 ATOM 759 C C . LEU A 1 77 ? 84.276 78.568 58.503 1.00 14.87 ? 158 LEU A C 1 ATOM 760 O O . LEU A 1 77 ? 84.211 77.519 57.825 1.00 16.89 ? 158 LEU A O 1 ATOM 761 C CB . LEU A 1 77 ? 86.157 79.670 57.252 1.00 11.90 ? 158 LEU A CB 1 ATOM 762 C CG . LEU A 1 77 ? 85.262 80.432 56.285 1.00 11.53 ? 158 LEU A CG 1 ATOM 763 C CD1 . LEU A 1 77 ? 84.983 81.765 56.941 1.00 11.73 ? 158 LEU A CD1 1 ATOM 764 C CD2 . LEU A 1 77 ? 85.881 80.593 54.886 1.00 11.52 ? 158 LEU A CD2 1 ATOM 765 H H . LEU A 1 77 ? 87.103 77.796 58.732 1.00 0.00 ? 158 LEU A H 1 ATOM 766 N N . LEU A 1 78 ? 83.212 79.026 59.173 1.00 13.04 ? 159 LEU A N 1 ATOM 767 C CA . LEU A 1 78 ? 81.883 78.428 59.101 1.00 10.74 ? 159 LEU A CA 1 ATOM 768 C C . LEU A 1 78 ? 81.177 79.011 57.890 1.00 11.45 ? 159 LEU A C 1 ATOM 769 O O . LEU A 1 78 ? 81.416 80.190 57.634 1.00 13.11 ? 159 LEU A O 1 ATOM 770 C CB . LEU A 1 78 ? 81.126 78.781 60.350 1.00 8.61 ? 159 LEU A CB 1 ATOM 771 C CG . LEU A 1 78 ? 81.739 78.274 61.606 1.00 8.36 ? 159 LEU A CG 1 ATOM 772 C CD1 . LEU A 1 78 ? 80.989 78.810 62.795 1.00 9.02 ? 159 LEU A CD1 1 ATOM 773 C CD2 . LEU A 1 78 ? 81.758 76.767 61.549 1.00 8.93 ? 159 LEU A CD2 1 ATOM 774 H H . LEU A 1 78 ? 83.326 79.842 59.699 1.00 0.00 ? 159 LEU A H 1 ATOM 775 N N . MET A 1 79 ? 80.375 78.329 57.073 1.00 11.30 ? 160 MET A N 1 ATOM 776 C CA . MET A 1 79 ? 79.691 78.959 55.937 1.00 12.85 ? 160 MET A CA 1 ATOM 777 C C . MET A 1 79 ? 78.223 78.485 55.961 1.00 17.44 ? 160 MET A C 1 ATOM 778 O O . MET A 1 79 ? 78.007 77.265 56.043 1.00 20.50 ? 160 MET A O 1 ATOM 779 C CB . MET A 1 79 ? 80.305 78.539 54.641 1.00 8.44 ? 160 MET A CB 1 ATOM 780 C CG . MET A 1 79 ? 79.641 79.229 53.493 1.00 8.19 ? 160 MET A CG 1 ATOM 781 S SD . MET A 1 79 ? 80.387 78.470 52.064 1.00 9.57 ? 160 MET A SD 1 ATOM 782 C CE . MET A 1 79 ? 79.730 78.978 50.519 1.00 6.05 ? 160 MET A CE 1 ATOM 783 H H . MET A 1 79 ? 80.257 77.365 57.211 1.00 0.00 ? 160 MET A H 1 ATOM 784 N N . ASN A 1 80 ? 77.180 79.333 55.919 1.00 18.20 ? 161 ASN A N 1 ATOM 785 C CA . ASN A 1 80 ? 75.762 78.927 55.954 1.00 18.84 ? 161 ASN A CA 1 ATOM 786 C C . ASN A 1 80 ? 74.961 79.823 55.040 1.00 19.79 ? 161 ASN A C 1 ATOM 787 O O . ASN A 1 80 ? 75.522 80.791 54.520 1.00 19.58 ? 161 ASN A O 1 ATOM 788 C CB . ASN A 1 80 ? 75.089 79.126 57.277 1.00 17.97 ? 161 ASN A CB 1 ATOM 789 C CG . ASN A 1 80 ? 75.024 77.938 58.181 1.00 17.94 ? 161 ASN A CG 1 ATOM 790 O OD1 . ASN A 1 80 ? 74.870 78.055 59.393 1.00 19.73 ? 161 ASN A OD1 1 ATOM 791 N ND2 . ASN A 1 80 ? 75.069 76.714 57.704 1.00 19.28 ? 161 ASN A ND2 1 ATOM 792 H H . ASN A 1 80 ? 77.363 80.295 55.813 1.00 0.00 ? 161 ASN A H 1 ATOM 793 H HD21 . ASN A 1 80 ? 75.176 76.006 58.368 1.00 0.00 ? 161 ASN A HD21 1 ATOM 794 H HD22 . ASN A 1 80 ? 75.043 76.572 56.729 1.00 0.00 ? 161 ASN A HD22 1 ATOM 795 N N . GLU A 1 81 ? 73.693 79.558 54.730 1.00 20.73 ? 162 GLU A N 1 ATOM 796 C CA . GLU A 1 81 ? 72.936 80.483 53.907 1.00 19.92 ? 162 GLU A CA 1 ATOM 797 C C . GLU A 1 81 ? 72.633 81.620 54.865 1.00 19.08 ? 162 GLU A C 1 ATOM 798 O O . GLU A 1 81 ? 72.454 81.425 56.091 1.00 19.04 ? 162 GLU A O 1 ATOM 799 C CB . GLU A 1 81 ? 71.614 79.982 53.460 1.00 21.14 ? 162 GLU A CB 1 ATOM 800 C CG . GLU A 1 81 ? 71.770 79.009 52.353 1.00 27.19 ? 162 GLU A CG 1 ATOM 801 C CD . GLU A 1 81 ? 70.434 78.700 51.701 1.00 30.83 ? 162 GLU A CD 1 ATOM 802 O OE1 . GLU A 1 81 ? 69.852 79.599 51.085 1.00 35.51 ? 162 GLU A OE1 1 ATOM 803 O OE2 . GLU A 1 81 ? 69.960 77.569 51.798 1.00 32.91 ? 162 GLU A OE2 1 ATOM 804 H H . GLU A 1 81 ? 73.285 78.732 55.056 1.00 0.00 ? 162 GLU A H 1 ATOM 805 N N . LEU A 1 82 ? 72.604 82.845 54.313 1.00 17.37 ? 163 LEU A N 1 ATOM 806 C CA . LEU A 1 82 ? 72.293 84.040 55.107 1.00 13.78 ? 163 LEU A CA 1 ATOM 807 C C . LEU A 1 82 ? 70.928 83.837 55.805 1.00 11.13 ? 163 LEU A C 1 ATOM 808 O O . LEU A 1 82 ? 69.905 83.522 55.181 1.00 9.59 ? 163 LEU A O 1 ATOM 809 C CB . LEU A 1 82 ? 72.247 85.253 54.158 1.00 11.59 ? 163 LEU A CB 1 ATOM 810 C CG . LEU A 1 82 ? 72.054 86.660 54.749 1.00 10.39 ? 163 LEU A CG 1 ATOM 811 C CD1 . LEU A 1 82 ? 73.063 86.913 55.871 1.00 8.99 ? 163 LEU A CD1 1 ATOM 812 C CD2 . LEU A 1 82 ? 72.104 87.671 53.594 1.00 10.49 ? 163 LEU A CD2 1 ATOM 813 H H . LEU A 1 82 ? 72.705 82.910 53.338 1.00 0.00 ? 163 LEU A H 1 ATOM 814 N N . GLY A 1 83 ? 70.947 83.943 57.109 1.00 9.05 ? 164 GLY A N 1 ATOM 815 C CA . GLY A 1 83 ? 69.736 83.795 57.831 1.00 9.81 ? 164 GLY A CA 1 ATOM 816 C C . GLY A 1 83 ? 69.708 82.475 58.562 1.00 12.12 ? 164 GLY A C 1 ATOM 817 O O . GLY A 1 83 ? 69.000 82.405 59.594 1.00 11.32 ? 164 GLY A O 1 ATOM 818 H H . GLY A 1 83 ? 71.787 83.956 57.602 1.00 0.00 ? 164 GLY A H 1 ATOM 819 N N . VAL A 1 84 ? 70.383 81.398 58.097 1.00 11.79 ? 165 VAL A N 1 ATOM 820 C CA . VAL A 1 84 ? 70.309 80.203 58.940 1.00 13.32 ? 165 VAL A CA 1 ATOM 821 C C . VAL A 1 84 ? 71.530 80.367 59.846 1.00 14.46 ? 165 VAL A C 1 ATOM 822 O O . VAL A 1 84 ? 72.629 80.689 59.399 1.00 15.53 ? 165 VAL A O 1 ATOM 823 C CB . VAL A 1 84 ? 70.252 78.788 58.102 1.00 11.32 ? 165 VAL A CB 1 ATOM 824 C CG1 . VAL A 1 84 ? 70.179 79.056 56.606 1.00 9.91 ? 165 VAL A CG1 1 ATOM 825 C CG2 . VAL A 1 84 ? 71.366 77.870 58.495 1.00 9.12 ? 165 VAL A CG2 1 ATOM 826 H H . VAL A 1 84 ? 71.028 81.468 57.369 1.00 0.00 ? 165 VAL A H 1 ATOM 827 N N . PRO A 1 85 ? 71.316 80.345 61.158 1.00 15.03 ? 166 PRO A N 1 ATOM 828 C CA . PRO A 1 85 ? 72.379 80.538 62.134 1.00 15.13 ? 166 PRO A CA 1 ATOM 829 C C . PRO A 1 85 ? 73.394 79.385 62.252 1.00 17.53 ? 166 PRO A C 1 ATOM 830 O O . PRO A 1 85 ? 73.183 78.252 61.788 1.00 18.95 ? 166 PRO A O 1 ATOM 831 C CB . PRO A 1 85 ? 71.610 80.829 63.391 1.00 14.82 ? 166 PRO A CB 1 ATOM 832 C CG . PRO A 1 85 ? 70.328 80.039 63.232 1.00 14.38 ? 166 PRO A CG 1 ATOM 833 C CD . PRO A 1 85 ? 69.992 80.208 61.769 1.00 14.26 ? 166 PRO A CD 1 ATOM 834 N N . PHE A 1 86 ? 74.502 79.603 62.977 1.00 17.34 ? 167 PHE A N 1 ATOM 835 C CA . PHE A 1 86 ? 75.541 78.583 63.089 1.00 16.35 ? 167 PHE A CA 1 ATOM 836 C C . PHE A 1 86 ? 75.268 77.542 64.122 1.00 15.47 ? 167 PHE A C 1 ATOM 837 O O . PHE A 1 86 ? 75.714 77.614 65.264 1.00 15.47 ? 167 PHE A O 1 ATOM 838 C CB . PHE A 1 86 ? 76.898 79.260 63.367 1.00 14.60 ? 167 PHE A CB 1 ATOM 839 C CG . PHE A 1 86 ? 77.222 80.246 62.252 1.00 12.99 ? 167 PHE A CG 1 ATOM 840 C CD1 . PHE A 1 86 ? 77.204 79.825 60.932 1.00 12.92 ? 167 PHE A CD1 1 ATOM 841 C CD2 . PHE A 1 86 ? 77.530 81.557 62.568 1.00 12.54 ? 167 PHE A CD2 1 ATOM 842 C CE1 . PHE A 1 86 ? 77.502 80.712 59.912 1.00 14.04 ? 167 PHE A CE1 1 ATOM 843 C CE2 . PHE A 1 86 ? 77.823 82.430 61.537 1.00 11.70 ? 167 PHE A CE2 1 ATOM 844 C CZ . PHE A 1 86 ? 77.814 82.020 60.219 1.00 12.91 ? 167 PHE A CZ 1 ATOM 845 H H . PHE A 1 86 ? 74.637 80.476 63.393 1.00 0.00 ? 167 PHE A H 1 ATOM 846 N N . HIS A 1 87 ? 74.405 76.634 63.686 1.00 16.42 ? 168 HIS A N 1 ATOM 847 C CA . HIS A 1 87 ? 73.975 75.495 64.509 1.00 16.54 ? 168 HIS A CA 1 ATOM 848 C C . HIS A 1 87 ? 74.974 74.343 64.244 1.00 16.85 ? 168 HIS A C 1 ATOM 849 O O . HIS A 1 87 ? 75.818 74.474 63.342 1.00 14.77 ? 168 HIS A O 1 ATOM 850 C CB . HIS A 1 87 ? 72.524 75.080 64.135 1.00 15.18 ? 168 HIS A CB 1 ATOM 851 C CG . HIS A 1 87 ? 72.400 74.665 62.695 1.00 12.96 ? 168 HIS A CG 1 ATOM 852 N ND1 . HIS A 1 87 ? 72.596 73.464 62.181 1.00 13.95 ? 168 HIS A ND1 1 ATOM 853 C CD2 . HIS A 1 87 ? 72.152 75.517 61.665 1.00 13.78 ? 168 HIS A CD2 1 ATOM 854 C CE1 . HIS A 1 87 ? 72.494 73.580 60.871 1.00 13.32 ? 168 HIS A CE1 1 ATOM 855 N NE2 . HIS A 1 87 ? 72.226 74.812 60.562 1.00 12.92 ? 168 HIS A NE2 1 ATOM 856 H H . HIS A 1 87 ? 74.113 76.734 62.756 1.00 0.00 ? 168 HIS A H 1 ATOM 857 H HD1 . HIS A 1 87 ? 72.448 72.619 62.664 1.00 0.00 ? 168 HIS A HD1 1 ATOM 858 H HE2 . HIS A 1 87 ? 72.208 75.198 59.663 1.00 0.00 ? 168 HIS A HE2 1 ATOM 859 N N . LEU A 1 88 ? 74.825 73.160 64.890 1.00 15.97 ? 169 LEU A N 1 ATOM 860 C CA . LEU A 1 88 ? 75.778 72.050 64.720 1.00 14.43 ? 169 LEU A CA 1 ATOM 861 C C . LEU A 1 88 ? 75.872 71.342 63.412 1.00 13.58 ? 169 LEU A C 1 ATOM 862 O O . LEU A 1 88 ? 76.768 70.516 63.221 1.00 16.10 ? 169 LEU A O 1 ATOM 863 C CB . LEU A 1 88 ? 75.566 70.981 65.770 1.00 12.22 ? 169 LEU A CB 1 ATOM 864 C CG . LEU A 1 88 ? 75.888 71.360 67.193 1.00 12.26 ? 169 LEU A CG 1 ATOM 865 C CD1 . LEU A 1 88 ? 75.425 70.285 68.139 1.00 12.52 ? 169 LEU A CD1 1 ATOM 866 C CD2 . LEU A 1 88 ? 77.374 71.503 67.346 1.00 13.84 ? 169 LEU A CD2 1 ATOM 867 H H . LEU A 1 88 ? 74.158 73.102 65.605 1.00 0.00 ? 169 LEU A H 1 ATOM 868 N N . GLY A 1 89 ? 75.033 71.717 62.472 1.00 11.70 ? 170 GLY A N 1 ATOM 869 C CA . GLY A 1 89 ? 75.089 71.040 61.197 1.00 11.22 ? 170 GLY A CA 1 ATOM 870 C C . GLY A 1 89 ? 75.778 71.938 60.213 1.00 15.46 ? 170 GLY A C 1 ATOM 871 O O . GLY A 1 89 ? 75.667 71.714 59.000 1.00 15.26 ? 170 GLY A O 1 ATOM 872 H H . GLY A 1 89 ? 74.646 72.605 62.555 1.00 0.00 ? 170 GLY A H 1 ATOM 873 N N . THR A 1 90 ? 76.423 72.995 60.731 1.00 17.60 ? 171 THR A N 1 ATOM 874 C CA . THR A 1 90 ? 77.112 73.967 59.918 1.00 18.32 ? 171 THR A CA 1 ATOM 875 C C . THR A 1 90 ? 78.454 73.392 59.479 1.00 17.87 ? 171 THR A C 1 ATOM 876 O O . THR A 1 90 ? 79.191 72.704 60.198 1.00 17.80 ? 171 THR A O 1 ATOM 877 C CB . THR A 1 90 ? 77.266 75.246 60.775 1.00 19.16 ? 171 THR A CB 1 ATOM 878 O OG1 . THR A 1 90 ? 75.930 75.700 61.032 1.00 21.52 ? 171 THR A OG1 1 ATOM 879 C CG2 . THR A 1 90 ? 78.113 76.321 60.107 1.00 17.83 ? 171 THR A CG2 1 ATOM 880 H H . THR A 1 90 ? 76.597 73.068 61.693 1.00 0.00 ? 171 THR A H 1 ATOM 881 H HG1 . THR A 1 90 ? 75.885 76.649 60.821 1.00 0.00 ? 171 THR A HG1 1 ATOM 882 N N . ARG A 1 91 ? 78.770 73.689 58.254 1.00 17.15 ? 172 ARG A N 1 ATOM 883 C CA . ARG A 1 91 ? 80.014 73.232 57.702 1.00 18.33 ? 172 ARG A CA 1 ATOM 884 C C . ARG A 1 91 ? 81.203 74.090 58.097 1.00 18.58 ? 172 ARG A C 1 ATOM 885 O O . ARG A 1 91 ? 81.103 75.314 58.088 1.00 19.40 ? 172 ARG A O 1 ATOM 886 C CB . ARG A 1 91 ? 79.873 73.253 56.244 1.00 18.94 ? 172 ARG A CB 1 ATOM 887 C CG . ARG A 1 91 ? 81.037 72.713 55.554 1.00 19.70 ? 172 ARG A CG 1 ATOM 888 C CD . ARG A 1 91 ? 80.584 72.708 54.152 1.00 21.68 ? 172 ARG A CD 1 ATOM 889 N NE . ARG A 1 91 ? 81.667 71.965 53.612 1.00 27.64 ? 172 ARG A NE 1 ATOM 890 C CZ . ARG A 1 91 ? 82.436 72.458 52.652 1.00 30.86 ? 172 ARG A CZ 1 ATOM 891 N NH1 . ARG A 1 91 ? 82.147 73.653 52.084 1.00 30.85 ? 172 ARG A NH1 1 ATOM 892 N NH2 . ARG A 1 91 ? 83.458 71.669 52.245 1.00 32.54 ? 172 ARG A NH2 1 ATOM 893 H H . ARG A 1 91 ? 78.185 74.279 57.735 1.00 0.00 ? 172 ARG A H 1 ATOM 894 H HE . ARG A 1 91 ? 81.844 71.059 53.945 1.00 0.00 ? 172 ARG A HE 1 ATOM 895 H HH11 . ARG A 1 91 ? 81.348 74.181 52.373 1.00 0.00 ? 172 ARG A HH11 1 ATOM 896 H HH12 . ARG A 1 91 ? 82.740 74.011 51.361 1.00 0.00 ? 172 ARG A HH12 1 ATOM 897 H HH21 . ARG A 1 91 ? 83.599 70.770 52.663 1.00 0.00 ? 172 ARG A HH21 1 ATOM 898 H HH22 . ARG A 1 91 ? 84.078 71.982 51.525 1.00 0.00 ? 172 ARG A HH22 1 ATOM 899 N N . GLN A 1 92 ? 82.327 73.476 58.474 1.00 18.78 ? 173 GLN A N 1 ATOM 900 C CA . GLN A 1 92 ? 83.578 74.160 58.802 1.00 15.10 ? 173 GLN A CA 1 ATOM 901 C C . GLN A 1 92 ? 84.318 73.971 57.488 1.00 13.89 ? 173 GLN A C 1 ATOM 902 O O . GLN A 1 92 ? 84.760 72.879 57.188 1.00 14.25 ? 173 GLN A O 1 ATOM 903 C CB . GLN A 1 92 ? 84.285 73.453 59.911 1.00 14.59 ? 173 GLN A CB 1 ATOM 904 C CG . GLN A 1 92 ? 83.311 73.458 61.049 1.00 15.44 ? 173 GLN A CG 1 ATOM 905 C CD . GLN A 1 92 ? 83.856 72.735 62.230 1.00 15.63 ? 173 GLN A CD 1 ATOM 906 O OE1 . GLN A 1 92 ? 84.809 73.222 62.777 1.00 17.62 ? 173 GLN A OE1 1 ATOM 907 N NE2 . GLN A 1 92 ? 83.343 71.624 62.722 1.00 17.45 ? 173 GLN A NE2 1 ATOM 908 H H . GLN A 1 92 ? 82.318 72.499 58.541 1.00 0.00 ? 173 GLN A H 1 ATOM 909 H HE21 . GLN A 1 92 ? 83.707 71.308 63.572 1.00 0.00 ? 173 GLN A HE21 1 ATOM 910 H HE22 . GLN A 1 92 ? 82.618 71.187 62.236 1.00 0.00 ? 173 GLN A HE22 1 ATOM 911 N N . VAL A 1 93 ? 84.397 74.995 56.655 1.00 12.78 ? 174 VAL A N 1 ATOM 912 C CA . VAL A 1 93 ? 85.021 75.010 55.343 1.00 12.98 ? 174 VAL A CA 1 ATOM 913 C C . VAL A 1 93 ? 86.566 74.911 55.310 1.00 13.80 ? 174 VAL A C 1 ATOM 914 O O . VAL A 1 93 ? 87.130 74.589 54.251 1.00 11.93 ? 174 VAL A O 1 ATOM 915 C CB . VAL A 1 93 ? 84.516 76.328 54.669 1.00 14.42 ? 174 VAL A CB 1 ATOM 916 C CG1 . VAL A 1 93 ? 85.146 76.646 53.305 1.00 14.90 ? 174 VAL A CG1 1 ATOM 917 C CG2 . VAL A 1 93 ? 83.044 76.139 54.405 1.00 15.97 ? 174 VAL A CG2 1 ATOM 918 H H . VAL A 1 93 ? 83.972 75.826 56.961 1.00 0.00 ? 174 VAL A H 1 ATOM 919 N N . CYS A 1 94 ? 87.271 75.253 56.401 1.00 13.17 ? 175 CYS A N 1 ATOM 920 C CA . CYS A 1 94 ? 88.732 75.223 56.437 1.00 14.41 ? 175 CYS A CA 1 ATOM 921 C C . CYS A 1 94 ? 89.188 75.671 57.793 1.00 13.54 ? 175 CYS A C 1 ATOM 922 O O . CYS A 1 94 ? 88.357 76.131 58.598 1.00 12.46 ? 175 CYS A O 1 ATOM 923 C CB . CYS A 1 94 ? 89.357 76.169 55.449 1.00 16.29 ? 175 CYS A CB 1 ATOM 924 S SG . CYS A 1 94 ? 88.903 77.926 55.702 1.00 20.79 ? 175 CYS A SG 1 ATOM 925 H H . CYS A 1 94 ? 86.810 75.510 57.226 1.00 0.00 ? 175 CYS A H 1 ATOM 926 N N . ILE A 1 95 ? 90.498 75.480 58.067 1.00 14.34 ? 176 ILE A N 1 ATOM 927 C CA . ILE A 1 95 ? 91.083 75.889 59.358 1.00 14.80 ? 176 ILE A CA 1 ATOM 928 C C . ILE A 1 95 ? 91.489 77.358 59.098 1.00 15.66 ? 176 ILE A C 1 ATOM 929 O O . ILE A 1 95 ? 92.141 77.669 58.089 1.00 14.55 ? 176 ILE A O 1 ATOM 930 C CB . ILE A 1 95 ? 92.322 75.017 59.739 1.00 13.06 ? 176 ILE A CB 1 ATOM 931 C CG1 . ILE A 1 95 ? 92.066 73.510 59.494 1.00 12.94 ? 176 ILE A CG1 1 ATOM 932 C CG2 . ILE A 1 95 ? 92.543 75.184 61.248 1.00 10.88 ? 176 ILE A CG2 1 ATOM 933 C CD1 . ILE A 1 95 ? 93.162 72.496 59.913 1.00 11.75 ? 176 ILE A CD1 1 ATOM 934 H H . ILE A 1 95 ? 91.107 75.183 57.363 1.00 0.00 ? 176 ILE A H 1 ATOM 935 N N . ALA A 1 96 ? 91.082 78.298 59.951 1.00 15.29 ? 177 ALA A N 1 ATOM 936 C CA . ALA A 1 96 ? 91.384 79.674 59.703 1.00 14.84 ? 177 ALA A CA 1 ATOM 937 C C . ALA A 1 96 ? 91.125 80.559 60.890 1.00 15.36 ? 177 ALA A C 1 ATOM 938 O O . ALA A 1 96 ? 90.156 80.368 61.620 1.00 15.06 ? 177 ALA A O 1 ATOM 939 C CB . ALA A 1 96 ? 90.530 80.189 58.561 1.00 11.83 ? 177 ALA A CB 1 ATOM 940 H H . ALA A 1 96 ? 90.608 78.066 60.779 1.00 0.00 ? 177 ALA A H 1 ATOM 941 N N . TRP A 1 97 ? 92.060 81.460 61.197 1.00 17.31 ? 178 TRP A N 1 ATOM 942 C CA . TRP A 1 97 ? 91.813 82.424 62.259 1.00 17.39 ? 178 TRP A CA 1 ATOM 943 C C . TRP A 1 97 ? 91.816 83.782 61.536 1.00 16.65 ? 178 TRP A C 1 ATOM 944 O O . TRP A 1 97 ? 91.848 84.814 62.179 1.00 18.04 ? 178 TRP A O 1 ATOM 945 C CB . TRP A 1 97 ? 92.855 82.366 63.391 1.00 18.40 ? 178 TRP A CB 1 ATOM 946 C CG . TRP A 1 97 ? 94.362 82.209 63.154 1.00 19.84 ? 178 TRP A CG 1 ATOM 947 C CD1 . TRP A 1 97 ? 94.990 81.168 63.781 1.00 19.65 ? 178 TRP A CD1 1 ATOM 948 C CD2 . TRP A 1 97 ? 95.232 83.004 62.440 1.00 20.81 ? 178 TRP A CD2 1 ATOM 949 N NE1 . TRP A 1 97 ? 96.257 81.300 63.477 1.00 21.55 ? 178 TRP A NE1 1 ATOM 950 C CE2 . TRP A 1 97 ? 96.440 82.363 62.691 1.00 21.76 ? 178 TRP A CE2 1 ATOM 951 C CE3 . TRP A 1 97 ? 95.235 84.126 61.645 1.00 21.26 ? 178 TRP A CE3 1 ATOM 952 C CZ2 . TRP A 1 97 ? 97.646 82.793 62.186 1.00 21.56 ? 178 TRP A CZ2 1 ATOM 953 C CZ3 . TRP A 1 97 ? 96.438 84.564 61.124 1.00 22.57 ? 178 TRP A CZ3 1 ATOM 954 C CH2 . TRP A 1 97 ? 97.632 83.917 61.397 1.00 22.57 ? 178 TRP A CH2 1 ATOM 955 H H . TRP A 1 97 ? 92.928 81.449 60.765 1.00 0.00 ? 178 TRP A H 1 ATOM 956 H HE1 . TRP A 1 97 ? 97.004 80.807 63.892 1.00 0.00 ? 178 TRP A HE1 1 ATOM 957 N N . SER A 1 98 ? 91.798 83.809 60.190 1.00 14.61 ? 179 SER A N 1 ATOM 958 C CA . SER A 1 98 ? 91.718 84.982 59.362 1.00 16.24 ? 179 SER A CA 1 ATOM 959 C C . SER A 1 98 ? 91.268 84.413 58.023 1.00 16.28 ? 179 SER A C 1 ATOM 960 O O . SER A 1 98 ? 91.804 83.360 57.693 1.00 18.58 ? 179 SER A O 1 ATOM 961 C CB . SER A 1 98 ? 93.064 85.693 59.205 1.00 17.39 ? 179 SER A CB 1 ATOM 962 O OG . SER A 1 98 ? 92.917 86.916 58.478 1.00 18.20 ? 179 SER A OG 1 ATOM 963 H H . SER A 1 98 ? 91.884 82.960 59.714 1.00 0.00 ? 179 SER A H 1 ATOM 964 H HG . SER A 1 98 ? 92.493 87.543 59.080 1.00 0.00 ? 179 SER A HG 1 ATOM 965 N N . SER A 1 99 ? 90.372 85.034 57.235 1.00 17.53 ? 180 SER A N 1 ATOM 966 C CA . SER A 1 99 ? 89.825 84.578 55.953 1.00 18.86 ? 180 SER A CA 1 ATOM 967 C C . SER A 1 99 ? 89.295 85.681 55.023 1.00 18.79 ? 180 SER A C 1 ATOM 968 O O . SER A 1 99 ? 89.205 86.868 55.371 1.00 18.39 ? 180 SER A O 1 ATOM 969 C CB . SER A 1 99 ? 88.650 83.641 56.191 1.00 20.90 ? 180 SER A CB 1 ATOM 970 O OG . SER A 1 99 ? 87.486 84.315 56.717 1.00 21.02 ? 180 SER A OG 1 ATOM 971 H H . SER A 1 99 ? 90.118 85.939 57.450 1.00 0.00 ? 180 SER A H 1 ATOM 972 H HG . SER A 1 99 ? 87.784 84.924 57.415 1.00 0.00 ? 180 SER A HG 1 ATOM 973 N N . SER A 1 100 ? 88.863 85.274 53.845 1.00 18.19 ? 181 SER A N 1 ATOM 974 C CA . SER A 1 100 ? 88.272 86.127 52.842 1.00 18.43 ? 181 SER A CA 1 ATOM 975 C C . SER A 1 100 ? 87.717 85.080 51.896 1.00 20.15 ? 181 SER A C 1 ATOM 976 O O . SER A 1 100 ? 88.419 84.081 51.642 1.00 20.04 ? 181 SER A O 1 ATOM 977 C CB . SER A 1 100 ? 89.281 86.954 52.094 1.00 17.79 ? 181 SER A CB 1 ATOM 978 O OG . SER A 1 100 ? 88.685 87.523 50.922 1.00 19.25 ? 181 SER A OG 1 ATOM 979 H H . SER A 1 100 ? 88.985 84.333 53.598 1.00 0.00 ? 181 SER A H 1 ATOM 980 H HG . SER A 1 100 ? 88.162 88.297 51.182 1.00 0.00 ? 181 SER A HG 1 ATOM 981 N N . SER A 1 101 ? 86.480 85.224 51.391 1.00 20.88 ? 182 SER A N 1 ATOM 982 C CA . SER A 1 101 ? 85.922 84.225 50.474 1.00 20.24 ? 182 SER A CA 1 ATOM 983 C C . SER A 1 101 ? 85.256 84.952 49.339 1.00 20.53 ? 182 SER A C 1 ATOM 984 O O . SER A 1 101 ? 84.800 86.082 49.572 1.00 24.02 ? 182 SER A O 1 ATOM 985 C CB . SER A 1 101 ? 84.883 83.385 51.148 1.00 18.52 ? 182 SER A CB 1 ATOM 986 O OG . SER A 1 101 ? 85.327 82.815 52.365 1.00 17.13 ? 182 SER A OG 1 ATOM 987 H H . SER A 1 101 ? 85.976 86.048 51.536 1.00 0.00 ? 182 SER A H 1 ATOM 988 H HG . SER A 1 101 ? 85.490 83.531 52.998 1.00 0.00 ? 182 SER A HG 1 ATOM 989 N N . CYS A 1 102 ? 85.165 84.443 48.128 1.00 18.50 ? 183 CYS A N 1 ATOM 990 C CA . CYS A 1 102 ? 84.495 85.187 47.078 1.00 16.37 ? 183 CYS A CA 1 ATOM 991 C C . CYS A 1 102 ? 84.165 84.167 46.056 1.00 16.37 ? 183 CYS A C 1 ATOM 992 O O . CYS A 1 102 ? 84.698 83.063 46.107 1.00 17.04 ? 183 CYS A O 1 ATOM 993 C CB . CYS A 1 102 ? 85.350 86.286 46.390 1.00 15.01 ? 183 CYS A CB 1 ATOM 994 S SG . CYS A 1 102 ? 87.081 86.059 45.883 1.00 13.45 ? 183 CYS A SG 1 ATOM 995 H H . CYS A 1 102 ? 85.594 83.587 47.904 1.00 0.00 ? 183 CYS A H 1 ATOM 996 N N . HIS A 1 103 ? 83.293 84.488 45.124 1.00 16.13 ? 184 HIS A N 1 ATOM 997 C CA . HIS A 1 103 ? 82.939 83.525 44.157 1.00 15.51 ? 184 HIS A CA 1 ATOM 998 C C . HIS A 1 103 ? 83.201 84.097 42.797 1.00 16.75 ? 184 HIS A C 1 ATOM 999 O O . HIS A 1 103 ? 82.538 85.047 42.430 1.00 19.64 ? 184 HIS A O 1 ATOM 1000 C CB . HIS A 1 103 ? 81.476 83.213 44.492 1.00 14.48 ? 184 HIS A CB 1 ATOM 1001 C CG . HIS A 1 103 ? 80.846 82.178 43.593 1.00 14.38 ? 184 HIS A CG 1 ATOM 1002 N ND1 . HIS A 1 103 ? 80.463 80.942 43.924 1.00 15.55 ? 184 HIS A ND1 1 ATOM 1003 C CD2 . HIS A 1 103 ? 80.610 82.360 42.251 1.00 13.04 ? 184 HIS A CD2 1 ATOM 1004 C CE1 . HIS A 1 103 ? 80.014 80.371 42.821 1.00 15.73 ? 184 HIS A CE1 1 ATOM 1005 N NE2 . HIS A 1 103 ? 80.110 81.237 41.824 1.00 15.98 ? 184 HIS A NE2 1 ATOM 1006 H H . HIS A 1 103 ? 82.858 85.373 45.133 1.00 0.00 ? 184 HIS A H 1 ATOM 1007 H HD1 . HIS A 1 103 ? 80.509 80.529 44.816 1.00 0.00 ? 184 HIS A HD1 1 ATOM 1008 H HE2 . HIS A 1 103 ? 79.726 81.063 40.930 1.00 0.00 ? 184 HIS A HE2 1 ATOM 1009 N N . ASP A 1 104 ? 83.991 83.496 41.941 1.00 16.96 ? 185 ASP A N 1 ATOM 1010 C CA . ASP A 1 104 ? 84.263 84.053 40.634 1.00 19.38 ? 185 ASP A CA 1 ATOM 1011 C C . ASP A 1 104 ? 83.254 83.942 39.511 1.00 19.48 ? 185 ASP A C 1 ATOM 1012 O O . ASP A 1 104 ? 83.489 84.210 38.329 1.00 17.94 ? 185 ASP A O 1 ATOM 1013 C CB . ASP A 1 104 ? 85.594 83.454 40.177 1.00 23.41 ? 185 ASP A CB 1 ATOM 1014 C CG . ASP A 1 104 ? 85.594 81.955 39.881 1.00 26.22 ? 185 ASP A CG 1 ATOM 1015 O OD1 . ASP A 1 104 ? 84.601 81.305 40.148 1.00 27.97 ? 185 ASP A OD1 1 ATOM 1016 O OD2 . ASP A 1 104 ? 86.577 81.427 39.367 1.00 26.96 ? 185 ASP A OD2 1 ATOM 1017 H H . ASP A 1 104 ? 84.490 82.702 42.239 1.00 0.00 ? 185 ASP A H 1 ATOM 1018 N N . GLY A 1 105 ? 82.150 83.341 39.865 1.00 21.58 ? 186 GLY A N 1 ATOM 1019 C CA . GLY A 1 105 ? 81.100 83.117 38.897 1.00 24.08 ? 186 GLY A CA 1 ATOM 1020 C C . GLY A 1 105 ? 80.944 81.633 38.787 1.00 25.46 ? 186 GLY A C 1 ATOM 1021 O O . GLY A 1 105 ? 79.874 81.129 39.084 1.00 28.74 ? 186 GLY A O 1 ATOM 1022 H H . GLY A 1 105 ? 82.119 83.008 40.768 1.00 0.00 ? 186 GLY A H 1 ATOM 1023 N N . LYS A 1 106 ? 82.041 80.939 38.546 1.00 25.31 ? 187 LYS A N 1 ATOM 1024 C CA . LYS A 1 106 ? 82.046 79.505 38.443 1.00 24.59 ? 187 LYS A CA 1 ATOM 1025 C C . LYS A 1 106 ? 82.198 78.767 39.774 1.00 23.87 ? 187 LYS A C 1 ATOM 1026 O O . LYS A 1 106 ? 81.598 77.716 39.873 1.00 25.40 ? 187 LYS A O 1 ATOM 1027 C CB . LYS A 1 106 ? 83.145 79.119 37.512 1.00 26.96 ? 187 LYS A CB 1 ATOM 1028 C CG . LYS A 1 106 ? 82.954 79.758 36.154 1.00 29.12 ? 187 LYS A CG 1 ATOM 1029 C CD . LYS A 1 106 ? 83.988 79.084 35.296 1.00 32.96 ? 187 LYS A CD 1 ATOM 1030 C CE . LYS A 1 106 ? 83.976 79.474 33.804 1.00 36.18 ? 187 LYS A CE 1 ATOM 1031 N NZ . LYS A 1 106 ? 84.951 78.625 33.114 1.00 39.63 ? 187 LYS A NZ 1 ATOM 1032 H H . LYS A 1 106 ? 82.864 81.430 38.347 1.00 0.00 ? 187 LYS A H 1 ATOM 1033 H HZ1 . LYS A 1 106 ? 84.709 77.634 33.323 1.00 0.00 ? 187 LYS A HZ1 1 ATOM 1034 H HZ2 . LYS A 1 106 ? 84.960 78.763 32.084 1.00 0.00 ? 187 LYS A HZ2 1 ATOM 1035 H HZ3 . LYS A 1 106 ? 85.902 78.808 33.500 1.00 0.00 ? 187 LYS A HZ3 1 ATOM 1036 N N . ALA A 1 107 ? 82.893 79.161 40.858 1.00 22.50 ? 188 ALA A N 1 ATOM 1037 C CA . ALA A 1 107 ? 83.000 78.429 42.108 1.00 19.79 ? 188 ALA A CA 1 ATOM 1038 C C . ALA A 1 107 ? 83.513 79.353 43.179 1.00 19.28 ? 188 ALA A C 1 ATOM 1039 O O . ALA A 1 107 ? 83.787 80.514 42.880 1.00 18.55 ? 188 ALA A O 1 ATOM 1040 C CB . ALA A 1 107 ? 83.987 77.306 42.020 1.00 22.67 ? 188 ALA A CB 1 ATOM 1041 H H . ALA A 1 107 ? 83.450 79.946 40.822 1.00 0.00 ? 188 ALA A H 1 ATOM 1042 N N . TRP A 1 108 ? 83.518 78.911 44.421 1.00 19.33 ? 189 TRP A N 1 ATOM 1043 C CA . TRP A 1 108 ? 83.994 79.671 45.551 1.00 20.78 ? 189 TRP A CA 1 ATOM 1044 C C . TRP A 1 108 ? 85.491 79.518 45.787 1.00 22.21 ? 189 TRP A C 1 ATOM 1045 O O . TRP A 1 108 ? 86.032 78.424 45.599 1.00 22.72 ? 189 TRP A O 1 ATOM 1046 C CB . TRP A 1 108 ? 83.343 79.226 46.847 1.00 23.07 ? 189 TRP A CB 1 ATOM 1047 C CG . TRP A 1 108 ? 81.912 79.696 47.064 1.00 26.18 ? 189 TRP A CG 1 ATOM 1048 C CD1 . TRP A 1 108 ? 80.838 78.945 46.654 1.00 26.38 ? 189 TRP A CD1 1 ATOM 1049 C CD2 . TRP A 1 108 ? 81.545 80.892 47.638 1.00 26.44 ? 189 TRP A CD2 1 ATOM 1050 N NE1 . TRP A 1 108 ? 79.782 79.664 46.957 1.00 26.84 ? 189 TRP A NE1 1 ATOM 1051 C CE2 . TRP A 1 108 ? 80.155 80.829 47.535 1.00 27.29 ? 189 TRP A CE2 1 ATOM 1052 C CE3 . TRP A 1 108 ? 82.170 81.985 48.208 1.00 26.59 ? 189 TRP A CE3 1 ATOM 1053 C CZ2 . TRP A 1 108 ? 79.383 81.884 48.001 1.00 26.44 ? 189 TRP A CZ2 1 ATOM 1054 C CZ3 . TRP A 1 108 ? 81.388 83.026 48.669 1.00 26.18 ? 189 TRP A CZ3 1 ATOM 1055 C CH2 . TRP A 1 108 ? 80.012 82.979 48.568 1.00 25.77 ? 189 TRP A CH2 1 ATOM 1056 H H . TRP A 1 108 ? 83.270 77.975 44.579 1.00 0.00 ? 189 TRP A H 1 ATOM 1057 H HE1 . TRP A 1 108 ? 78.869 79.299 46.995 1.00 0.00 ? 189 TRP A HE1 1 ATOM 1058 N N . LEU A 1 109 ? 86.152 80.564 46.293 1.00 21.97 ? 190 LEU A N 1 ATOM 1059 C CA . LEU A 1 109 ? 87.563 80.576 46.627 1.00 19.39 ? 190 LEU A CA 1 ATOM 1060 C C . LEU A 1 109 ? 87.544 80.940 48.097 1.00 16.93 ? 190 LEU A C 1 ATOM 1061 O O . LEU A 1 109 ? 86.742 81.790 48.473 1.00 14.91 ? 190 LEU A O 1 ATOM 1062 C CB . LEU A 1 109 ? 88.358 81.679 45.881 1.00 21.15 ? 190 LEU A CB 1 ATOM 1063 C CG . LEU A 1 109 ? 89.740 82.041 46.520 1.00 21.36 ? 190 LEU A CG 1 ATOM 1064 C CD1 . LEU A 1 109 ? 90.665 80.844 46.304 1.00 20.80 ? 190 LEU A CD1 1 ATOM 1065 C CD2 . LEU A 1 109 ? 90.313 83.346 45.959 1.00 19.81 ? 190 LEU A CD2 1 ATOM 1066 H H . LEU A 1 109 ? 85.666 81.395 46.476 1.00 0.00 ? 190 LEU A H 1 ATOM 1067 N N . HIS A 1 110 ? 88.285 80.305 48.978 1.00 15.60 ? 191 HIS A N 1 ATOM 1068 C CA . HIS A 1 110 ? 88.317 80.709 50.376 1.00 18.71 ? 191 HIS A CA 1 ATOM 1069 C C . HIS A 1 110 ? 89.814 80.891 50.674 1.00 19.92 ? 191 HIS A C 1 ATOM 1070 O O . HIS A 1 110 ? 90.578 80.090 50.096 1.00 22.56 ? 191 HIS A O 1 ATOM 1071 C CB . HIS A 1 110 ? 87.792 79.650 51.326 1.00 20.01 ? 191 HIS A CB 1 ATOM 1072 C CG . HIS A 1 110 ? 86.358 79.265 51.019 1.00 23.02 ? 191 HIS A CG 1 ATOM 1073 N ND1 . HIS A 1 110 ? 85.245 79.876 51.429 1.00 24.53 ? 191 HIS A ND1 1 ATOM 1074 C CD2 . HIS A 1 110 ? 85.981 78.206 50.219 1.00 22.52 ? 191 HIS A CD2 1 ATOM 1075 C CE1 . HIS A 1 110 ? 84.222 79.235 50.907 1.00 23.90 ? 191 HIS A CE1 1 ATOM 1076 N NE2 . HIS A 1 110 ? 84.679 78.236 50.186 1.00 23.32 ? 191 HIS A NE2 1 ATOM 1077 H H . HIS A 1 110 ? 88.932 79.627 48.677 1.00 0.00 ? 191 HIS A H 1 ATOM 1078 H HD1 . HIS A 1 110 ? 85.195 80.730 51.940 1.00 0.00 ? 191 HIS A HD1 1 ATOM 1079 H HE2 . HIS A 1 110 ? 84.115 77.637 49.653 1.00 0.00 ? 191 HIS A HE2 1 ATOM 1080 N N . VAL A 1 111 ? 90.324 81.899 51.417 1.00 16.99 ? 192 VAL A N 1 ATOM 1081 C CA . VAL A 1 111 ? 91.740 81.980 51.683 1.00 16.26 ? 192 VAL A CA 1 ATOM 1082 C C . VAL A 1 111 ? 91.643 81.901 53.174 1.00 15.45 ? 192 VAL A C 1 ATOM 1083 O O . VAL A 1 111 ? 90.988 82.693 53.840 1.00 15.45 ? 192 VAL A O 1 ATOM 1084 C CB . VAL A 1 111 ? 92.439 83.313 51.148 1.00 18.12 ? 192 VAL A CB 1 ATOM 1085 C CG1 . VAL A 1 111 ? 91.879 83.632 49.765 1.00 16.77 ? 192 VAL A CG1 1 ATOM 1086 C CG2 . VAL A 1 111 ? 92.292 84.470 52.078 1.00 19.67 ? 192 VAL A CG2 1 ATOM 1087 H H . VAL A 1 111 ? 89.735 82.586 51.800 1.00 0.00 ? 192 VAL A H 1 ATOM 1088 N N . CYS A 1 112 ? 92.199 80.828 53.708 1.00 17.59 ? 193 CYS A N 1 ATOM 1089 C CA . CYS A 1 112 ? 92.122 80.557 55.134 1.00 17.76 ? 193 CYS A CA 1 ATOM 1090 C C . CYS A 1 112 ? 93.526 80.636 55.675 1.00 18.33 ? 193 CYS A C 1 ATOM 1091 O O . CYS A 1 112 ? 94.457 80.180 54.990 1.00 19.92 ? 193 CYS A O 1 ATOM 1092 C CB . CYS A 1 112 ? 91.513 79.156 55.291 1.00 18.87 ? 193 CYS A CB 1 ATOM 1093 S SG . CYS A 1 112 ? 90.035 78.804 54.286 1.00 20.34 ? 193 CYS A SG 1 ATOM 1094 H H . CYS A 1 112 ? 92.748 80.227 53.156 1.00 0.00 ? 193 CYS A H 1 ATOM 1095 N N . ILE A 1 113 ? 93.712 81.184 56.874 1.00 17.42 ? 194 ILE A N 1 ATOM 1096 C CA . ILE A 1 113 ? 95.032 81.344 57.425 1.00 16.41 ? 194 ILE A CA 1 ATOM 1097 C C . ILE A 1 113 ? 95.117 80.724 58.789 1.00 17.64 ? 194 ILE A C 1 ATOM 1098 O O . ILE A 1 113 ? 94.279 81.019 59.638 1.00 18.20 ? 194 ILE A O 1 ATOM 1099 C CB . ILE A 1 113 ? 95.365 82.903 57.480 1.00 16.71 ? 194 ILE A CB 1 ATOM 1100 C CG1 . ILE A 1 113 ? 95.416 83.520 56.067 1.00 15.95 ? 194 ILE A CG1 1 ATOM 1101 C CG2 . ILE A 1 113 ? 96.713 83.123 58.106 1.00 16.93 ? 194 ILE A CG2 1 ATOM 1102 C CD1 . ILE A 1 113 ? 95.575 85.052 56.072 1.00 16.48 ? 194 ILE A CD1 1 ATOM 1103 H H . ILE A 1 113 ? 92.944 81.543 57.367 1.00 0.00 ? 194 ILE A H 1 ATOM 1104 N N . THR A 1 114 ? 96.046 79.828 59.048 1.00 16.97 ? 195 THR A N 1 ATOM 1105 C CA . THR A 1 114 ? 96.178 79.266 60.372 1.00 17.69 ? 195 THR A CA 1 ATOM 1106 C C . THR A 1 114 ? 97.676 79.128 60.569 1.00 18.59 ? 195 THR A C 1 ATOM 1107 O O . THR A 1 114 ? 98.501 79.377 59.679 1.00 18.01 ? 195 THR A O 1 ATOM 1108 C CB . THR A 1 114 ? 95.665 77.818 60.599 1.00 15.61 ? 195 THR A CB 1 ATOM 1109 O OG1 . THR A 1 114 ? 95.333 77.311 59.309 1.00 16.53 ? 195 THR A OG1 1 ATOM 1110 C CG2 . THR A 1 114 ? 94.701 77.782 61.775 1.00 12.64 ? 195 THR A CG2 1 ATOM 1111 H H . THR A 1 114 ? 96.694 79.560 58.354 1.00 0.00 ? 195 THR A H 1 ATOM 1112 H HG1 . THR A 1 114 ? 94.724 77.893 58.840 1.00 0.00 ? 195 THR A HG1 1 ATOM 1113 N N . GLY A 1 115 ? 97.977 78.779 61.797 1.00 19.34 ? 196 GLY A N 1 ATOM 1114 C CA . GLY A 1 115 ? 99.340 78.532 62.103 1.00 25.16 ? 196 GLY A CA 1 ATOM 1115 C C . GLY A 1 115 ? 99.805 79.392 63.217 1.00 27.35 ? 196 GLY A C 1 ATOM 1116 O O . GLY A 1 115 ? 99.056 80.049 63.950 1.00 29.25 ? 196 GLY A O 1 ATOM 1117 H H . GLY A 1 115 ? 97.334 78.874 62.531 1.00 0.00 ? 196 GLY A H 1 ATOM 1118 N N . ASP A 1 116 ? 101.114 79.257 63.316 1.00 29.60 ? 197 ASP A N 1 ATOM 1119 C CA . ASP A 1 116 ? 101.825 80.000 64.301 1.00 29.21 ? 197 ASP A CA 1 ATOM 1120 C C . ASP A 1 116 ? 101.848 81.442 63.858 1.00 28.23 ? 197 ASP A C 1 ATOM 1121 O O . ASP A 1 116 ? 101.962 81.713 62.660 1.00 26.05 ? 197 ASP A O 1 ATOM 1122 C CB . ASP A 1 116 ? 103.189 79.389 64.387 1.00 32.40 ? 197 ASP A CB 1 ATOM 1123 C CG . ASP A 1 116 ? 103.248 78.179 65.308 1.00 34.65 ? 197 ASP A CG 1 ATOM 1124 O OD1 . ASP A 1 116 ? 102.248 77.780 65.912 1.00 38.12 ? 197 ASP A OD1 1 ATOM 1125 O OD2 . ASP A 1 116 ? 104.327 77.629 65.449 1.00 35.63 ? 197 ASP A OD2 1 ATOM 1126 H H . ASP A 1 116 ? 101.593 78.695 62.665 1.00 0.00 ? 197 ASP A H 1 ATOM 1127 N N . ASP A 1 117 ? 101.759 82.349 64.829 1.00 27.85 ? 198 ASP A N 1 ATOM 1128 C CA . ASP A 1 117 ? 101.784 83.785 64.551 1.00 29.00 ? 198 ASP A CA 1 ATOM 1129 C C . ASP A 1 117 ? 102.977 84.169 63.702 1.00 29.47 ? 198 ASP A C 1 ATOM 1130 O O . ASP A 1 117 ? 102.904 84.638 62.557 1.00 29.97 ? 198 ASP A O 1 ATOM 1131 C CB . ASP A 1 117 ? 101.841 84.564 65.866 1.00 30.41 ? 198 ASP A CB 1 ATOM 1132 C CG . ASP A 1 117 ? 100.589 84.491 66.739 1.00 31.39 ? 198 ASP A CG 1 ATOM 1133 O OD1 . ASP A 1 117 ? 99.501 84.292 66.203 1.00 32.64 ? 198 ASP A OD1 1 ATOM 1134 O OD2 . ASP A 1 117 ? 100.690 84.646 67.956 1.00 31.13 ? 198 ASP A OD2 1 ATOM 1135 H H . ASP A 1 117 ? 101.565 82.027 65.733 1.00 0.00 ? 198 ASP A H 1 ATOM 1136 N N . LYS A 1 118 ? 104.105 83.768 64.274 1.00 30.93 ? 199 LYS A N 1 ATOM 1137 C CA . LYS A 1 118 ? 105.395 84.019 63.679 1.00 31.05 ? 199 LYS A CA 1 ATOM 1138 C C . LYS A 1 118 ? 105.630 83.195 62.440 1.00 30.17 ? 199 LYS A C 1 ATOM 1139 O O . LYS A 1 118 ? 106.553 83.528 61.717 1.00 29.80 ? 199 LYS A O 1 ATOM 1140 C CB . LYS A 1 118 ? 106.461 83.744 64.711 1.00 33.61 ? 199 LYS A CB 1 ATOM 1141 C CG . LYS A 1 118 ? 106.224 84.503 66.032 1.00 37.41 ? 199 LYS A CG 1 ATOM 1142 C CD . LYS A 1 118 ? 106.210 86.042 65.954 1.00 39.93 ? 199 LYS A CD 1 ATOM 1143 C CE . LYS A 1 118 ? 107.634 86.622 65.894 1.00 42.04 ? 199 LYS A CE 1 ATOM 1144 N NZ . LYS A 1 118 ? 107.634 88.053 65.595 1.00 43.57 ? 199 LYS A NZ 1 ATOM 1145 H H . LYS A 1 118 ? 104.061 83.316 65.136 1.00 0.00 ? 199 LYS A H 1 ATOM 1146 H HZ1 . LYS A 1 118 ? 107.053 88.576 66.280 1.00 0.00 ? 199 LYS A HZ1 1 ATOM 1147 H HZ2 . LYS A 1 118 ? 108.611 88.407 65.627 1.00 0.00 ? 199 LYS A HZ2 1 ATOM 1148 H HZ3 . LYS A 1 118 ? 107.254 88.198 64.637 1.00 0.00 ? 199 LYS A HZ3 1 ATOM 1149 N N . ASN A 1 119 ? 104.843 82.151 62.099 1.00 30.13 ? 200 ASN A N 1 ATOM 1150 C CA . ASN A 1 119 ? 105.092 81.372 60.881 1.00 28.30 ? 200 ASN A CA 1 ATOM 1151 C C . ASN A 1 119 ? 103.809 80.741 60.302 1.00 27.37 ? 200 ASN A C 1 ATOM 1152 O O . ASN A 1 119 ? 103.688 79.544 60.011 1.00 27.51 ? 200 ASN A O 1 ATOM 1153 C CB . ASN A 1 119 ? 106.145 80.309 61.205 1.00 27.50 ? 200 ASN A CB 1 ATOM 1154 C CG . ASN A 1 119 ? 106.891 79.768 59.993 1.00 27.95 ? 200 ASN A CG 1 ATOM 1155 O OD1 . ASN A 1 119 ? 106.784 80.205 58.836 1.00 26.58 ? 200 ASN A OD1 1 ATOM 1156 N ND2 . ASN A 1 119 ? 107.692 78.747 60.331 1.00 30.12 ? 200 ASN A ND2 1 ATOM 1157 H H . ASN A 1 119 ? 104.005 81.989 62.572 1.00 0.00 ? 200 ASN A H 1 ATOM 1158 H HD21 . ASN A 1 119 ? 107.668 78.417 61.258 1.00 0.00 ? 200 ASN A HD21 1 ATOM 1159 N N . ALA A 1 120 ? 102.781 81.575 60.175 1.00 24.01 ? 201 ALA A N 1 ATOM 1160 C CA . ALA A 1 120 ? 101.506 81.182 59.640 1.00 20.64 ? 201 ALA A CA 1 ATOM 1161 C C . ALA A 1 120 ? 101.549 80.750 58.177 1.00 19.88 ? 201 ALA A C 1 ATOM 1162 O O . ALA A 1 120 ? 102.494 81.024 57.412 1.00 18.45 ? 201 ALA A O 1 ATOM 1163 C CB . ALA A 1 120 ? 100.552 82.337 59.804 1.00 19.64 ? 201 ALA A CB 1 ATOM 1164 H H . ALA A 1 120 ? 102.882 82.487 60.505 1.00 0.00 ? 201 ALA A H 1 ATOM 1165 N N . THR A 1 121 ? 100.479 80.038 57.795 1.00 19.47 ? 202 THR A N 1 ATOM 1166 C CA . THR A 1 121 ? 100.311 79.524 56.453 1.00 17.78 ? 202 THR A CA 1 ATOM 1167 C C . THR A 1 121 ? 98.867 79.767 55.999 1.00 17.59 ? 202 THR A C 1 ATOM 1168 O O . THR A 1 121 ? 97.907 79.742 56.768 1.00 19.16 ? 202 THR A O 1 ATOM 1169 C CB . THR A 1 121 ? 100.854 77.993 56.537 1.00 17.68 ? 202 THR A CB 1 ATOM 1170 O OG1 . THR A 1 121 ? 100.302 77.324 55.405 1.00 15.39 ? 202 THR A OG1 1 ATOM 1171 C CG2 . THR A 1 121 ? 100.689 77.331 57.952 1.00 16.40 ? 202 THR A CG2 1 ATOM 1172 H H . THR A 1 121 ? 99.746 79.890 58.423 1.00 0.00 ? 202 THR A H 1 ATOM 1173 H HG1 . THR A 1 121 ? 100.476 77.811 54.594 1.00 0.00 ? 202 THR A HG1 1 ATOM 1174 N N . ALA A 1 122 ? 98.784 80.220 54.752 1.00 14.84 ? 203 ALA A N 1 ATOM 1175 C CA . ALA A 1 122 ? 97.558 80.520 54.102 1.00 14.48 ? 203 ALA A CA 1 ATOM 1176 C C . ALA A 1 122 ? 97.208 79.489 53.019 1.00 16.78 ? 203 ALA A C 1 ATOM 1177 O O . ALA A 1 122 ? 98.031 79.302 52.100 1.00 17.11 ? 203 ALA A O 1 ATOM 1178 C CB . ALA A 1 122 ? 97.615 81.882 53.417 1.00 11.56 ? 203 ALA A CB 1 ATOM 1179 H H . ALA A 1 122 ? 99.612 80.341 54.243 1.00 0.00 ? 203 ALA A H 1 ATOM 1180 N N . SER A 1 123 ? 96.025 78.822 53.042 1.00 16.65 ? 204 SER A N 1 ATOM 1181 C CA . SER A 1 123 ? 95.708 77.874 51.978 1.00 16.46 ? 204 SER A CA 1 ATOM 1182 C C . SER A 1 123 ? 94.632 78.485 51.088 1.00 16.54 ? 204 SER A C 1 ATOM 1183 O O . SER A 1 123 ? 93.735 79.176 51.572 1.00 17.50 ? 204 SER A O 1 ATOM 1184 C CB . SER A 1 123 ? 95.208 76.560 52.552 1.00 14.02 ? 204 SER A CB 1 ATOM 1185 O OG . SER A 1 123 ? 95.753 76.282 53.838 1.00 14.41 ? 204 SER A OG 1 ATOM 1186 H H . SER A 1 123 ? 95.400 78.944 53.787 1.00 0.00 ? 204 SER A H 1 ATOM 1187 H HG . SER A 1 123 ? 95.343 75.470 54.164 1.00 0.00 ? 204 SER A HG 1 ATOM 1188 N N . PHE A 1 124 ? 94.752 78.257 49.793 1.00 17.18 ? 205 PHE A N 1 ATOM 1189 C CA . PHE A 1 124 ? 93.844 78.746 48.789 1.00 18.64 ? 205 PHE A CA 1 ATOM 1190 C C . PHE A 1 124 ? 93.060 77.530 48.327 1.00 18.80 ? 205 PHE A C 1 ATOM 1191 O O . PHE A 1 124 ? 93.583 76.654 47.627 1.00 18.13 ? 205 PHE A O 1 ATOM 1192 C CB . PHE A 1 124 ? 94.639 79.374 47.640 1.00 20.29 ? 205 PHE A CB 1 ATOM 1193 C CG . PHE A 1 124 ? 95.371 80.600 48.180 1.00 25.17 ? 205 PHE A CG 1 ATOM 1194 C CD1 . PHE A 1 124 ? 96.638 80.472 48.767 1.00 26.39 ? 205 PHE A CD1 1 ATOM 1195 C CD2 . PHE A 1 124 ? 94.754 81.846 48.169 1.00 25.81 ? 205 PHE A CD2 1 ATOM 1196 C CE1 . PHE A 1 124 ? 97.279 81.569 49.337 1.00 27.22 ? 205 PHE A CE1 1 ATOM 1197 C CE2 . PHE A 1 124 ? 95.407 82.937 48.737 1.00 26.94 ? 205 PHE A CE2 1 ATOM 1198 C CZ . PHE A 1 124 ? 96.657 82.802 49.325 1.00 27.20 ? 205 PHE A CZ 1 ATOM 1199 H H . PHE A 1 124 ? 95.507 77.715 49.486 1.00 0.00 ? 205 PHE A H 1 ATOM 1200 N N . ILE A 1 125 ? 91.835 77.430 48.856 1.00 17.60 ? 206 ILE A N 1 ATOM 1201 C CA . ILE A 1 125 ? 90.907 76.357 48.562 1.00 16.43 ? 206 ILE A CA 1 ATOM 1202 C C . ILE A 1 125 ? 89.980 76.882 47.505 1.00 16.46 ? 206 ILE A C 1 ATOM 1203 O O . ILE A 1 125 ? 89.358 77.909 47.724 1.00 19.89 ? 206 ILE A O 1 ATOM 1204 C CB . ILE A 1 125 ? 90.149 75.976 49.848 1.00 15.13 ? 206 ILE A CB 1 ATOM 1205 C CG1 . ILE A 1 125 ? 91.154 75.344 50.795 1.00 13.36 ? 206 ILE A CG1 1 ATOM 1206 C CG2 . ILE A 1 125 ? 88.998 75.007 49.543 1.00 13.81 ? 206 ILE A CG2 1 ATOM 1207 C CD1 . ILE A 1 125 ? 91.023 75.605 52.284 1.00 12.82 ? 206 ILE A CD1 1 ATOM 1208 H H . ILE A 1 125 ? 91.520 78.177 49.411 1.00 0.00 ? 206 ILE A H 1 ATOM 1209 N N . TYR A 1 126 ? 89.849 76.260 46.370 1.00 16.78 ? 207 TYR A N 1 ATOM 1210 C CA . TYR A 1 126 ? 88.978 76.727 45.337 1.00 16.84 ? 207 TYR A CA 1 ATOM 1211 C C . TYR A 1 126 ? 88.244 75.488 44.882 1.00 20.66 ? 207 TYR A C 1 ATOM 1212 O O . TYR A 1 126 ? 88.829 74.439 44.590 1.00 22.54 ? 207 TYR A O 1 ATOM 1213 C CB . TYR A 1 126 ? 89.730 77.254 44.150 1.00 14.79 ? 207 TYR A CB 1 ATOM 1214 C CG . TYR A 1 126 ? 88.910 77.651 42.925 1.00 13.21 ? 207 TYR A CG 1 ATOM 1215 C CD1 . TYR A 1 126 ? 88.194 78.833 42.880 1.00 14.50 ? 207 TYR A CD1 1 ATOM 1216 C CD2 . TYR A 1 126 ? 88.916 76.833 41.834 1.00 12.83 ? 207 TYR A CD2 1 ATOM 1217 C CE1 . TYR A 1 126 ? 87.490 79.190 41.744 1.00 14.73 ? 207 TYR A CE1 1 ATOM 1218 C CE2 . TYR A 1 126 ? 88.230 77.186 40.695 1.00 13.57 ? 207 TYR A CE2 1 ATOM 1219 C CZ . TYR A 1 126 ? 87.521 78.359 40.650 1.00 15.16 ? 207 TYR A CZ 1 ATOM 1220 O OH . TYR A 1 126 ? 86.861 78.714 39.482 1.00 17.31 ? 207 TYR A OH 1 ATOM 1221 H H . TYR A 1 126 ? 90.306 75.400 46.234 1.00 0.00 ? 207 TYR A H 1 ATOM 1222 H HH . TYR A 1 126 ? 87.014 78.054 38.797 1.00 0.00 ? 207 TYR A HH 1 ATOM 1223 N N . ASP A 1 127 ? 86.920 75.621 44.838 1.00 22.74 ? 208 ASP A N 1 ATOM 1224 C CA . ASP A 1 127 ? 86.031 74.594 44.387 1.00 21.30 ? 208 ASP A CA 1 ATOM 1225 C C . ASP A 1 127 ? 86.236 73.315 45.145 1.00 21.12 ? 208 ASP A C 1 ATOM 1226 O O . ASP A 1 127 ? 86.236 72.243 44.564 1.00 22.94 ? 208 ASP A O 1 ATOM 1227 C CB . ASP A 1 127 ? 86.276 74.440 42.891 1.00 22.89 ? 208 ASP A CB 1 ATOM 1228 C CG . ASP A 1 127 ? 85.246 73.619 42.135 1.00 25.92 ? 208 ASP A CG 1 ATOM 1229 O OD1 . ASP A 1 127 ? 84.235 73.232 42.718 1.00 27.94 ? 208 ASP A OD1 1 ATOM 1230 O OD2 . ASP A 1 127 ? 85.450 73.364 40.947 1.00 28.50 ? 208 ASP A OD2 1 ATOM 1231 H H . ASP A 1 127 ? 86.546 76.496 45.085 1.00 0.00 ? 208 ASP A H 1 ATOM 1232 N N . GLY A 1 128 ? 86.493 73.354 46.436 1.00 21.51 ? 209 GLY A N 1 ATOM 1233 C CA . GLY A 1 128 ? 86.658 72.106 47.152 1.00 24.05 ? 209 GLY A CA 1 ATOM 1234 C C . GLY A 1 128 ? 88.094 71.652 47.347 1.00 25.77 ? 209 GLY A C 1 ATOM 1235 O O . GLY A 1 128 ? 88.418 71.209 48.450 1.00 26.21 ? 209 GLY A O 1 ATOM 1236 H H . GLY A 1 128 ? 86.677 74.197 46.890 1.00 0.00 ? 209 GLY A H 1 ATOM 1237 N N . ARG A 1 129 ? 88.930 71.730 46.312 1.00 26.49 ? 210 ARG A N 1 ATOM 1238 C CA . ARG A 1 129 ? 90.330 71.341 46.360 1.00 26.41 ? 210 ARG A CA 1 ATOM 1239 C C . ARG A 1 129 ? 91.213 72.409 46.994 1.00 24.93 ? 210 ARG A C 1 ATOM 1240 O O . ARG A 1 129 ? 90.912 73.596 46.934 1.00 25.05 ? 210 ARG A O 1 ATOM 1241 C CB . ARG A 1 129 ? 90.951 71.156 44.996 1.00 29.11 ? 210 ARG A CB 1 ATOM 1242 C CG . ARG A 1 129 ? 90.170 70.900 43.721 1.00 32.87 ? 210 ARG A CG 1 ATOM 1243 C CD . ARG A 1 129 ? 89.730 69.463 43.745 1.00 37.86 ? 210 ARG A CD 1 ATOM 1244 N NE . ARG A 1 129 ? 88.998 69.061 42.552 1.00 41.32 ? 210 ARG A NE 1 ATOM 1245 C CZ . ARG A 1 129 ? 87.683 69.261 42.368 1.00 42.04 ? 210 ARG A CZ 1 ATOM 1246 N NH1 . ARG A 1 129 ? 86.893 69.880 43.255 1.00 42.92 ? 210 ARG A NH1 1 ATOM 1247 N NH2 . ARG A 1 129 ? 87.155 68.830 41.230 1.00 42.98 ? 210 ARG A NH2 1 ATOM 1248 H H . ARG A 1 129 ? 88.574 72.084 45.469 1.00 0.00 ? 210 ARG A H 1 ATOM 1249 H HE . ARG A 1 129 ? 89.495 68.603 41.845 1.00 0.00 ? 210 ARG A HE 1 ATOM 1250 H HH11 . ARG A 1 129 ? 87.281 70.251 44.099 1.00 0.00 ? 210 ARG A HH11 1 ATOM 1251 H HH12 . ARG A 1 129 ? 85.926 70.030 43.048 1.00 0.00 ? 210 ARG A HH12 1 ATOM 1252 H HH21 . ARG A 1 129 ? 87.728 68.368 40.554 1.00 0.00 ? 210 ARG A HH21 1 ATOM 1253 H HH22 . ARG A 1 129 ? 86.181 68.967 41.046 1.00 0.00 ? 210 ARG A HH22 1 ATOM 1254 N N . LEU A 1 130 ? 92.355 72.046 47.572 1.00 25.04 ? 211 LEU A N 1 ATOM 1255 C CA . LEU A 1 130 ? 93.319 72.999 48.126 1.00 21.61 ? 211 LEU A CA 1 ATOM 1256 C C . LEU A 1 130 ? 94.134 73.204 46.856 1.00 20.54 ? 211 LEU A C 1 ATOM 1257 O O . LEU A 1 130 ? 94.630 72.201 46.379 1.00 19.62 ? 211 LEU A O 1 ATOM 1258 C CB . LEU A 1 130 ? 94.192 72.381 49.172 1.00 20.01 ? 211 LEU A CB 1 ATOM 1259 C CG . LEU A 1 130 ? 94.933 73.427 49.985 1.00 21.59 ? 211 LEU A CG 1 ATOM 1260 C CD1 . LEU A 1 130 ? 94.776 73.188 51.470 1.00 20.48 ? 211 LEU A CD1 1 ATOM 1261 C CD2 . LEU A 1 130 ? 96.371 73.411 49.548 1.00 22.04 ? 211 LEU A CD2 1 ATOM 1262 H H . LEU A 1 130 ? 92.612 71.103 47.496 1.00 0.00 ? 211 LEU A H 1 ATOM 1263 N N . VAL A 1 131 ? 94.208 74.373 46.193 1.00 20.47 ? 212 VAL A N 1 ATOM 1264 C CA . VAL A 1 131 ? 94.980 74.578 44.957 1.00 19.43 ? 212 VAL A CA 1 ATOM 1265 C C . VAL A 1 131 ? 96.338 75.283 45.171 1.00 20.21 ? 212 VAL A C 1 ATOM 1266 O O . VAL A 1 131 ? 97.185 75.226 44.275 1.00 20.24 ? 212 VAL A O 1 ATOM 1267 C CB . VAL A 1 131 ? 94.154 75.409 43.952 1.00 18.58 ? 212 VAL A CB 1 ATOM 1268 C CG1 . VAL A 1 131 ? 94.902 75.610 42.637 1.00 18.86 ? 212 VAL A CG1 1 ATOM 1269 C CG2 . VAL A 1 131 ? 92.901 74.683 43.607 1.00 18.90 ? 212 VAL A CG2 1 ATOM 1270 H H . VAL A 1 131 ? 93.696 75.129 46.541 1.00 0.00 ? 212 VAL A H 1 ATOM 1271 N N . ASP A 1 132 ? 96.613 75.922 46.331 1.00 19.55 ? 213 ASP A N 1 ATOM 1272 C CA . ASP A 1 132 ? 97.850 76.642 46.578 1.00 17.37 ? 213 ASP A CA 1 ATOM 1273 C C . ASP A 1 132 ? 98.012 77.014 48.033 1.00 15.95 ? 213 ASP A C 1 ATOM 1274 O O . ASP A 1 132 ? 97.113 76.743 48.820 1.00 14.17 ? 213 ASP A O 1 ATOM 1275 C CB . ASP A 1 132 ? 97.857 77.926 45.767 1.00 18.78 ? 213 ASP A CB 1 ATOM 1276 C CG . ASP A 1 132 ? 99.213 78.317 45.212 1.00 19.90 ? 213 ASP A CG 1 ATOM 1277 O OD1 . ASP A 1 132 ? 100.218 78.132 45.899 1.00 20.92 ? 213 ASP A OD1 1 ATOM 1278 O OD2 . ASP A 1 132 ? 99.262 78.799 44.082 1.00 19.62 ? 213 ASP A OD2 1 ATOM 1279 H H . ASP A 1 132 ? 95.953 75.892 47.053 1.00 0.00 ? 213 ASP A H 1 ATOM 1280 N N . SER A 1 133 ? 99.156 77.569 48.420 1.00 14.74 ? 214 SER A N 1 ATOM 1281 C CA . SER A 1 133 ? 99.393 78.020 49.768 1.00 15.98 ? 214 SER A CA 1 ATOM 1282 C C . SER A 1 133 ? 100.583 79.003 49.734 1.00 16.38 ? 214 SER A C 1 ATOM 1283 O O . SER A 1 133 ? 101.278 79.126 48.694 1.00 13.91 ? 214 SER A O 1 ATOM 1284 C CB . SER A 1 133 ? 99.697 76.857 50.672 1.00 17.60 ? 214 SER A CB 1 ATOM 1285 O OG . SER A 1 133 ? 100.780 76.084 50.180 1.00 17.92 ? 214 SER A OG 1 ATOM 1286 H H . SER A 1 133 ? 99.926 77.633 47.827 1.00 0.00 ? 214 SER A H 1 ATOM 1287 H HG . SER A 1 133 ? 101.538 76.317 50.743 1.00 0.00 ? 214 SER A HG 1 ATOM 1288 N N . ILE A 1 134 ? 100.808 79.740 50.844 1.00 15.59 ? 215 ILE A N 1 ATOM 1289 C CA . ILE A 1 134 ? 101.881 80.726 50.943 1.00 18.95 ? 215 ILE A CA 1 ATOM 1290 C C . ILE A 1 134 ? 102.205 80.873 52.403 1.00 17.33 ? 215 ILE A C 1 ATOM 1291 O O . ILE A 1 134 ? 101.314 80.723 53.240 1.00 17.21 ? 215 ILE A O 1 ATOM 1292 C CB . ILE A 1 134 ? 101.419 82.104 50.287 1.00 21.52 ? 215 ILE A CB 1 ATOM 1293 C CG1 . ILE A 1 134 ? 102.696 82.811 49.869 1.00 23.75 ? 215 ILE A CG1 1 ATOM 1294 C CG2 . ILE A 1 134 ? 100.567 83.007 51.218 1.00 20.57 ? 215 ILE A CG2 1 ATOM 1295 C CD1 . ILE A 1 134 ? 102.453 84.088 49.038 1.00 24.21 ? 215 ILE A CD1 1 ATOM 1296 H H . ILE A 1 134 ? 100.206 79.641 51.615 1.00 0.00 ? 215 ILE A H 1 ATOM 1297 N N . GLY A 1 135 ? 103.473 81.097 52.747 1.00 17.82 ? 216 GLY A N 1 ATOM 1298 C CA . GLY A 1 135 ? 103.857 81.231 54.151 1.00 16.29 ? 216 GLY A CA 1 ATOM 1299 C C . GLY A 1 135 ? 104.008 82.711 54.467 1.00 17.34 ? 216 GLY A C 1 ATOM 1300 O O . GLY A 1 135 ? 104.064 83.544 53.556 1.00 16.57 ? 216 GLY A O 1 ATOM 1301 H H . GLY A 1 135 ? 104.123 81.361 52.066 1.00 0.00 ? 216 GLY A H 1 ATOM 1302 N N . SER A 1 136 ? 104.066 82.997 55.755 1.00 18.38 ? 217 SER A N 1 ATOM 1303 C CA . SER A 1 136 ? 104.214 84.303 56.348 1.00 21.13 ? 217 SER A CA 1 ATOM 1304 C C . SER A 1 136 ? 105.463 85.035 55.879 1.00 24.15 ? 217 SER A C 1 ATOM 1305 O O . SER A 1 136 ? 106.544 84.598 56.245 1.00 27.27 ? 217 SER A O 1 ATOM 1306 C CB . SER A 1 136 ? 104.218 84.052 57.834 1.00 21.03 ? 217 SER A CB 1 ATOM 1307 O OG . SER A 1 136 ? 104.463 85.171 58.653 1.00 22.43 ? 217 SER A OG 1 ATOM 1308 H H . SER A 1 136 ? 104.030 82.237 56.375 1.00 0.00 ? 217 SER A H 1 ATOM 1309 H HG . SER A 1 136 ? 105.208 84.872 59.200 1.00 0.00 ? 217 SER A HG 1 ATOM 1310 N N . TRP A 1 137 ? 105.417 86.116 55.086 1.00 26.21 ? 218 TRP A N 1 ATOM 1311 C CA . TRP A 1 137 ? 106.618 86.807 54.635 1.00 26.28 ? 218 TRP A CA 1 ATOM 1312 C C . TRP A 1 137 ? 107.277 87.667 55.687 1.00 26.29 ? 218 TRP A C 1 ATOM 1313 O O . TRP A 1 137 ? 108.464 87.902 55.588 1.00 29.30 ? 218 TRP A O 1 ATOM 1314 C CB . TRP A 1 137 ? 106.333 87.687 53.409 1.00 28.49 ? 218 TRP A CB 1 ATOM 1315 C CG . TRP A 1 137 ? 105.040 88.514 53.433 1.00 31.52 ? 218 TRP A CG 1 ATOM 1316 C CD1 . TRP A 1 137 ? 104.954 89.700 54.098 1.00 31.69 ? 218 TRP A CD1 1 ATOM 1317 C CD2 . TRP A 1 137 ? 103.851 88.182 52.821 1.00 32.87 ? 218 TRP A CD2 1 ATOM 1318 N NE1 . TRP A 1 137 ? 103.731 90.118 53.916 1.00 32.37 ? 218 TRP A NE1 1 ATOM 1319 C CE2 . TRP A 1 137 ? 103.044 89.255 53.168 1.00 33.32 ? 218 TRP A CE2 1 ATOM 1320 C CE3 . TRP A 1 137 ? 103.343 87.149 52.041 1.00 33.22 ? 218 TRP A CE3 1 ATOM 1321 C CZ2 . TRP A 1 137 ? 101.727 89.321 52.744 1.00 34.10 ? 218 TRP A CZ2 1 ATOM 1322 C CZ3 . TRP A 1 137 ? 102.028 87.216 51.615 1.00 33.18 ? 218 TRP A CZ3 1 ATOM 1323 C CH2 . TRP A 1 137 ? 101.227 88.291 51.963 1.00 33.72 ? 218 TRP A CH2 1 ATOM 1324 H H . TRP A 1 137 ? 104.543 86.382 54.745 1.00 0.00 ? 218 TRP A H 1 ATOM 1325 H HE1 . TRP A 1 137 ? 103.380 90.979 54.244 1.00 0.00 ? 218 TRP A HE1 1 ATOM 1326 N N . SER A 1 138 ? 106.645 88.170 56.727 1.00 26.06 ? 219 SER A N 1 ATOM 1327 C CA . SER A 1 138 ? 107.318 88.993 57.705 1.00 25.87 ? 219 SER A CA 1 ATOM 1328 C C . SER A 1 138 ? 107.293 88.373 59.081 1.00 26.78 ? 219 SER A C 1 ATOM 1329 O O . SER A 1 138 ? 107.485 89.078 60.075 1.00 28.36 ? 219 SER A O 1 ATOM 1330 C CB . SER A 1 138 ? 106.687 90.395 57.803 1.00 25.36 ? 219 SER A CB 1 ATOM 1331 O OG . SER A 1 138 ? 106.595 91.080 56.557 1.00 27.49 ? 219 SER A OG 1 ATOM 1332 H H . SER A 1 138 ? 105.693 88.064 56.765 1.00 0.00 ? 219 SER A H 1 ATOM 1333 H HG . SER A 1 138 ? 105.996 91.824 56.658 1.00 0.00 ? 219 SER A HG 1 ATOM 1334 N N . GLN A 1 139 ? 107.033 87.075 59.203 1.00 26.43 ? 220 GLN A N 1 ATOM 1335 C CA . GLN A 1 139 ? 107.044 86.430 60.503 1.00 26.92 ? 220 GLN A CA 1 ATOM 1336 C C . GLN A 1 139 ? 106.260 87.094 61.635 1.00 27.76 ? 220 GLN A C 1 ATOM 1337 O O . GLN A 1 139 ? 106.597 86.992 62.818 1.00 27.61 ? 220 GLN A O 1 ATOM 1338 C CB . GLN A 1 139 ? 108.524 86.246 60.922 1.00 29.52 ? 220 GLN A CB 1 ATOM 1339 C CG . GLN A 1 139 ? 109.437 85.326 60.087 1.00 31.16 ? 220 GLN A CG 1 ATOM 1340 C CD . GLN A 1 139 ? 109.642 85.754 58.631 1.00 33.48 ? 220 GLN A CD 1 ATOM 1341 O OE1 . GLN A 1 139 ? 109.188 85.097 57.707 1.00 34.85 ? 220 GLN A OE1 1 ATOM 1342 N NE2 . GLN A 1 139 ? 110.294 86.849 58.249 1.00 35.89 ? 220 GLN A NE2 1 ATOM 1343 H H . GLN A 1 139 ? 106.953 86.536 58.388 1.00 0.00 ? 220 GLN A H 1 ATOM 1344 H HE21 . GLN A 1 139 ? 110.286 87.018 57.279 1.00 0.00 ? 220 GLN A HE21 1 ATOM 1345 H HE22 . GLN A 1 139 ? 110.712 87.430 58.911 1.00 0.00 ? 220 GLN A HE22 1 ATOM 1346 N N . ASN A 1 140 ? 105.145 87.753 61.307 1.00 29.15 ? 221 ASN A N 1 ATOM 1347 C CA . ASN A 1 140 ? 104.334 88.430 62.323 1.00 30.61 ? 221 ASN A CA 1 ATOM 1348 C C . ASN A 1 140 ? 102.907 88.703 61.849 1.00 29.99 ? 221 ASN A C 1 ATOM 1349 O O . ASN A 1 140 ? 102.583 89.670 61.129 1.00 30.08 ? 221 ASN A O 1 ATOM 1350 C CB . ASN A 1 140 ? 104.961 89.759 62.731 1.00 32.81 ? 221 ASN A CB 1 ATOM 1351 C CG . ASN A 1 140 ? 104.356 90.186 64.056 1.00 35.27 ? 221 ASN A CG 1 ATOM 1352 O OD1 . ASN A 1 140 ? 104.239 89.419 65.017 1.00 37.02 ? 221 ASN A OD1 1 ATOM 1353 N ND2 . ASN A 1 140 ? 103.891 91.413 64.184 1.00 36.61 ? 221 ASN A ND2 1 ATOM 1354 H H . ASN A 1 140 ? 104.862 87.739 60.382 1.00 0.00 ? 221 ASN A H 1 ATOM 1355 H HD21 . ASN A 1 140 ? 103.565 91.664 65.070 1.00 0.00 ? 221 ASN A HD21 1 ATOM 1356 H HD22 . ASN A 1 140 ? 103.869 91.997 63.398 1.00 0.00 ? 221 ASN A HD22 1 ATOM 1357 N N . ILE A 1 141 ? 102.169 87.627 62.182 1.00 26.43 ? 222 ILE A N 1 ATOM 1358 C CA . ILE A 1 141 ? 100.753 87.390 61.939 1.00 20.89 ? 222 ILE A CA 1 ATOM 1359 C C . ILE A 1 141 ? 100.226 87.753 60.566 1.00 19.63 ? 222 ILE A C 1 ATOM 1360 O O . ILE A 1 141 ? 99.760 88.851 60.298 1.00 21.66 ? 222 ILE A O 1 ATOM 1361 C CB . ILE A 1 141 ? 99.999 88.099 63.033 1.00 19.33 ? 222 ILE A CB 1 ATOM 1362 C CG1 . ILE A 1 141 ? 100.559 87.640 64.365 1.00 19.11 ? 222 ILE A CG1 1 ATOM 1363 C CG2 . ILE A 1 141 ? 98.529 87.772 62.944 1.00 19.62 ? 222 ILE A CG2 1 ATOM 1364 C CD1 . ILE A 1 141 ? 99.967 88.361 65.574 1.00 18.37 ? 222 ILE A CD1 1 ATOM 1365 H H . ILE A 1 141 ? 102.664 86.893 62.603 1.00 0.00 ? 222 ILE A H 1 ATOM 1366 N N . LEU A 1 142 ? 100.354 86.829 59.635 1.00 17.73 ? 223 LEU A N 1 ATOM 1367 C CA . LEU A 1 142 ? 99.867 87.021 58.271 1.00 18.46 ? 223 LEU A CA 1 ATOM 1368 C C . LEU A 1 142 ? 98.340 87.173 58.417 1.00 20.18 ? 223 LEU A C 1 ATOM 1369 O O . LEU A 1 142 ? 97.748 86.361 59.134 1.00 20.39 ? 223 LEU A O 1 ATOM 1370 C CB . LEU A 1 142 ? 100.269 85.797 57.514 1.00 16.90 ? 223 LEU A CB 1 ATOM 1371 C CG . LEU A 1 142 ? 99.873 85.657 56.105 1.00 17.49 ? 223 LEU A CG 1 ATOM 1372 C CD1 . LEU A 1 142 ? 100.458 86.723 55.203 1.00 17.46 ? 223 LEU A CD1 1 ATOM 1373 C CD2 . LEU A 1 142 ? 100.332 84.275 55.738 1.00 18.47 ? 223 LEU A CD2 1 ATOM 1374 H H . LEU A 1 142 ? 100.696 85.958 59.904 1.00 0.00 ? 223 LEU A H 1 ATOM 1375 N N . ARG A 1 143 ? 97.668 88.167 57.821 1.00 20.30 ? 224 ARG A N 1 ATOM 1376 C CA . ARG A 1 143 ? 96.246 88.374 57.986 1.00 19.07 ? 224 ARG A CA 1 ATOM 1377 C C . ARG A 1 143 ? 95.649 88.840 56.701 1.00 18.69 ? 224 ARG A C 1 ATOM 1378 O O . ARG A 1 143 ? 96.390 89.298 55.824 1.00 19.94 ? 224 ARG A O 1 ATOM 1379 C CB . ARG A 1 143 ? 95.894 89.473 58.916 1.00 20.55 ? 224 ARG A CB 1 ATOM 1380 C CG . ARG A 1 143 ? 96.826 89.880 60.006 1.00 23.13 ? 224 ARG A CG 1 ATOM 1381 C CD . ARG A 1 143 ? 97.258 91.337 59.882 1.00 26.74 ? 224 ARG A CD 1 ATOM 1382 N NE . ARG A 1 143 ? 98.283 91.497 60.899 1.00 32.21 ? 224 ARG A NE 1 ATOM 1383 C CZ . ARG A 1 143 ? 99.258 92.414 60.961 1.00 33.92 ? 224 ARG A CZ 1 ATOM 1384 N NH1 . ARG A 1 143 ? 99.427 93.430 60.103 1.00 34.58 ? 224 ARG A NH1 1 ATOM 1385 N NH2 . ARG A 1 143 ? 100.079 92.297 62.002 1.00 35.37 ? 224 ARG A NH2 1 ATOM 1386 H H . ARG A 1 143 ? 98.158 88.816 57.274 1.00 0.00 ? 224 ARG A H 1 ATOM 1387 H HE . ARG A 1 143 ? 98.286 90.843 61.629 1.00 0.00 ? 224 ARG A HE 1 ATOM 1388 H HH11 . ARG A 1 143 ? 98.792 93.559 59.341 1.00 0.00 ? 224 ARG A HH11 1 ATOM 1389 H HH12 . ARG A 1 143 ? 100.188 94.068 60.230 1.00 0.00 ? 224 ARG A HH12 1 ATOM 1390 H HH21 . ARG A 1 143 ? 99.955 91.553 62.659 1.00 0.00 ? 224 ARG A HH21 1 ATOM 1391 H HH22 . ARG A 1 143 ? 100.826 92.952 62.120 1.00 0.00 ? 224 ARG A HH22 1 ATOM 1392 N N . THR A 1 144 ? 94.318 88.771 56.572 1.00 17.62 ? 225 THR A N 1 ATOM 1393 C CA . THR A 1 144 ? 93.652 89.251 55.372 1.00 16.05 ? 225 THR A CA 1 ATOM 1394 C C . THR A 1 144 ? 92.305 89.951 55.722 1.00 17.14 ? 225 THR A C 1 ATOM 1395 O O . THR A 1 144 ? 91.925 90.152 56.906 1.00 16.78 ? 225 THR A O 1 ATOM 1396 C CB . THR A 1 144 ? 93.522 88.027 54.445 1.00 16.03 ? 225 THR A CB 1 ATOM 1397 O OG1 . THR A 1 144 ? 93.088 88.513 53.166 1.00 15.62 ? 225 THR A OG1 1 ATOM 1398 C CG2 . THR A 1 144 ? 92.631 86.950 55.049 1.00 12.46 ? 225 THR A CG2 1 ATOM 1399 H H . THR A 1 144 ? 93.765 88.343 57.260 1.00 0.00 ? 225 THR A H 1 ATOM 1400 H HG1 . THR A 1 144 ? 92.768 87.744 52.680 1.00 0.00 ? 225 THR A HG1 1 ATOM 1401 N N . GLN A 1 145 ? 91.647 90.330 54.619 1.00 15.42 ? 226 GLN A N 1 ATOM 1402 C CA . GLN A 1 145 ? 90.391 91.042 54.542 1.00 15.91 ? 226 GLN A CA 1 ATOM 1403 C C . GLN A 1 145 ? 89.359 90.916 55.650 1.00 18.98 ? 226 GLN A C 1 ATOM 1404 O O . GLN A 1 145 ? 88.968 91.920 56.228 1.00 22.24 ? 226 GLN A O 1 ATOM 1405 C CB . GLN A 1 145 ? 89.792 90.627 53.264 1.00 15.78 ? 226 GLN A CB 1 ATOM 1406 C CG . GLN A 1 145 ? 89.232 91.504 52.180 1.00 14.44 ? 226 GLN A CG 1 ATOM 1407 C CD . GLN A 1 145 ? 90.219 91.671 51.076 1.00 13.75 ? 226 GLN A CD 1 ATOM 1408 O OE1 . GLN A 1 145 ? 90.029 91.563 49.856 1.00 12.50 ? 226 GLN A OE1 1 ATOM 1409 N NE2 . GLN A 1 145 ? 91.370 92.026 51.587 1.00 17.67 ? 226 GLN A NE2 1 ATOM 1410 H H . GLN A 1 145 ? 92.099 90.106 53.777 1.00 0.00 ? 226 GLN A H 1 ATOM 1411 H HE21 . GLN A 1 145 ? 92.061 92.232 50.928 1.00 0.00 ? 226 GLN A HE21 1 ATOM 1412 H HE22 . GLN A 1 145 ? 91.509 92.142 52.547 1.00 0.00 ? 226 GLN A HE22 1 ATOM 1413 N N . GLU A 1 146 ? 88.901 89.692 55.982 1.00 19.20 ? 227 GLU A N 1 ATOM 1414 C CA . GLU A 1 146 ? 87.874 89.315 56.955 1.00 16.95 ? 227 GLU A CA 1 ATOM 1415 C C . GLU A 1 146 ? 86.516 89.682 56.433 1.00 16.86 ? 227 GLU A C 1 ATOM 1416 O O . GLU A 1 146 ? 85.565 89.888 57.194 1.00 18.59 ? 227 GLU A O 1 ATOM 1417 C CB . GLU A 1 146 ? 87.996 89.957 58.323 1.00 17.19 ? 227 GLU A CB 1 ATOM 1418 C CG . GLU A 1 146 ? 89.328 89.760 58.977 1.00 22.06 ? 227 GLU A CG 1 ATOM 1419 C CD . GLU A 1 146 ? 89.826 88.341 59.264 1.00 24.51 ? 227 GLU A CD 1 ATOM 1420 O OE1 . GLU A 1 146 ? 89.520 87.416 58.516 1.00 25.39 ? 227 GLU A OE1 1 ATOM 1421 O OE2 . GLU A 1 146 ? 90.559 88.158 60.243 1.00 26.02 ? 227 GLU A OE2 1 ATOM 1422 H H . GLU A 1 146 ? 89.347 88.935 55.556 1.00 0.00 ? 227 GLU A H 1 ATOM 1423 N N . SER A 1 147 ? 86.446 89.720 55.099 1.00 13.36 ? 228 SER A N 1 ATOM 1424 C CA . SER A 1 147 ? 85.259 90.032 54.375 1.00 11.71 ? 228 SER A CA 1 ATOM 1425 C C . SER A 1 147 ? 85.579 89.584 52.957 1.00 13.85 ? 228 SER A C 1 ATOM 1426 O O . SER A 1 147 ? 86.677 89.138 52.597 1.00 14.33 ? 228 SER A O 1 ATOM 1427 C CB . SER A 1 147 ? 84.955 91.531 54.407 1.00 12.49 ? 228 SER A CB 1 ATOM 1428 O OG . SER A 1 147 ? 85.691 92.443 53.570 1.00 12.14 ? 228 SER A OG 1 ATOM 1429 H H . SER A 1 147 ? 87.241 89.525 54.564 1.00 0.00 ? 228 SER A H 1 ATOM 1430 H HG . SER A 1 147 ? 86.534 92.698 53.970 1.00 0.00 ? 228 SER A HG 1 ATOM 1431 N N . GLU A 1 148 ? 84.593 89.645 52.112 1.00 14.29 ? 229 GLU A N 1 ATOM 1432 C CA . GLU A 1 148 ? 84.677 89.255 50.735 1.00 17.51 ? 229 GLU A CA 1 ATOM 1433 C C . GLU A 1 148 ? 85.812 89.846 49.887 1.00 17.70 ? 229 GLU A C 1 ATOM 1434 O O . GLU A 1 148 ? 86.126 91.036 49.979 1.00 19.86 ? 229 GLU A O 1 ATOM 1435 C CB . GLU A 1 148 ? 83.297 89.593 50.210 1.00 19.64 ? 229 GLU A CB 1 ATOM 1436 C CG . GLU A 1 148 ? 83.021 89.539 48.746 1.00 23.63 ? 229 GLU A CG 1 ATOM 1437 C CD . GLU A 1 148 ? 81.694 90.198 48.415 1.00 25.10 ? 229 GLU A CD 1 ATOM 1438 O OE1 . GLU A 1 148 ? 81.624 91.405 48.526 1.00 24.24 ? 229 GLU A OE1 1 ATOM 1439 O OE2 . GLU A 1 148 ? 80.738 89.516 48.028 1.00 28.43 ? 229 GLU A OE2 1 ATOM 1440 H H . GLU A 1 148 ? 83.745 90.049 52.410 1.00 0.00 ? 229 GLU A H 1 ATOM 1441 N N . CYS A 1 149 ? 86.381 88.953 49.073 1.00 15.12 ? 230 CYS A N 1 ATOM 1442 C CA . CYS A 1 149 ? 87.429 89.227 48.099 1.00 15.05 ? 230 CYS A CA 1 ATOM 1443 C C . CYS A 1 149 ? 86.650 89.524 46.802 1.00 14.33 ? 230 CYS A C 1 ATOM 1444 O O . CYS A 1 149 ? 85.413 89.429 46.842 1.00 16.57 ? 230 CYS A O 1 ATOM 1445 C CB . CYS A 1 149 ? 88.372 87.978 47.940 1.00 13.34 ? 230 CYS A CB 1 ATOM 1446 S SG . CYS A 1 149 ? 87.686 86.284 47.785 1.00 12.13 ? 230 CYS A SG 1 ATOM 1447 H H . CYS A 1 149 ? 86.014 88.044 49.072 1.00 0.00 ? 230 CYS A H 1 ATOM 1448 N N . VAL A 1 150 ? 87.126 89.906 45.606 1.00 12.48 ? 231 VAL A N 1 ATOM 1449 C CA . VAL A 1 150 ? 86.229 90.142 44.479 1.00 12.10 ? 231 VAL A CA 1 ATOM 1450 C C . VAL A 1 150 ? 87.009 89.593 43.293 1.00 14.00 ? 231 VAL A C 1 ATOM 1451 O O . VAL A 1 150 ? 88.226 89.486 43.353 1.00 15.89 ? 231 VAL A O 1 ATOM 1452 C CB . VAL A 1 150 ? 85.760 91.720 44.338 1.00 12.38 ? 231 VAL A CB 1 ATOM 1453 C CG1 . VAL A 1 150 ? 86.170 92.520 45.552 1.00 10.33 ? 231 VAL A CG1 1 ATOM 1454 C CG2 . VAL A 1 150 ? 86.234 92.335 43.054 1.00 10.80 ? 231 VAL A CG2 1 ATOM 1455 H H . VAL A 1 150 ? 88.094 89.972 45.455 1.00 0.00 ? 231 VAL A H 1 ATOM 1456 N N . CYS A 1 151 ? 86.320 89.115 42.270 1.00 15.88 ? 232 CYS A N 1 ATOM 1457 C CA . CYS A 1 151 ? 86.883 88.481 41.116 1.00 17.66 ? 232 CYS A CA 1 ATOM 1458 C C . CYS A 1 151 ? 86.301 89.101 39.865 1.00 20.15 ? 232 CYS A C 1 ATOM 1459 O O . CYS A 1 151 ? 85.087 89.327 39.773 1.00 21.93 ? 232 CYS A O 1 ATOM 1460 C CB . CYS A 1 151 ? 86.541 86.966 41.166 1.00 16.05 ? 232 CYS A CB 1 ATOM 1461 S SG . CYS A 1 151 ? 86.745 86.098 42.760 1.00 19.36 ? 232 CYS A SG 1 ATOM 1462 H H . CYS A 1 151 ? 85.335 89.161 42.289 1.00 0.00 ? 232 CYS A H 1 ATOM 1463 N N . ILE A 1 152 ? 87.137 89.429 38.875 1.00 22.19 ? 233 ILE A N 1 ATOM 1464 C CA . ILE A 1 152 ? 86.630 90.013 37.649 1.00 23.72 ? 233 ILE A CA 1 ATOM 1465 C C . ILE A 1 152 ? 87.291 89.183 36.567 1.00 26.79 ? 233 ILE A C 1 ATOM 1466 O O . ILE A 1 152 ? 88.497 88.972 36.568 1.00 28.07 ? 233 ILE A O 1 ATOM 1467 C CB . ILE A 1 152 ? 87.023 91.516 37.502 1.00 21.05 ? 233 ILE A CB 1 ATOM 1468 C CG1 . ILE A 1 152 ? 86.523 92.364 38.648 1.00 19.36 ? 233 ILE A CG1 1 ATOM 1469 C CG2 . ILE A 1 152 ? 86.371 92.052 36.261 1.00 18.96 ? 233 ILE A CG2 1 ATOM 1470 C CD1 . ILE A 1 152 ? 86.658 93.884 38.406 1.00 21.69 ? 233 ILE A CD1 1 ATOM 1471 H H . ILE A 1 152 ? 88.102 89.245 38.952 1.00 0.00 ? 233 ILE A H 1 ATOM 1472 N N . ASN A 1 153 ? 86.464 88.549 35.755 1.00 30.58 ? 234 ASN A N 1 ATOM 1473 C CA . ASN A 1 153 ? 86.856 87.725 34.629 1.00 33.63 ? 234 ASN A CA 1 ATOM 1474 C C . ASN A 1 153 ? 87.705 86.532 34.922 1.00 33.65 ? 234 ASN A C 1 ATOM 1475 O O . ASN A 1 153 ? 88.359 85.998 34.025 1.00 35.32 ? 234 ASN A O 1 ATOM 1476 C CB . ASN A 1 153 ? 87.581 88.540 33.564 1.00 37.82 ? 234 ASN A CB 1 ATOM 1477 C CG . ASN A 1 153 ? 86.624 89.584 33.022 1.00 42.83 ? 234 ASN A CG 1 ATOM 1478 O OD1 . ASN A 1 153 ? 85.836 89.396 32.083 1.00 46.73 ? 234 ASN A OD1 1 ATOM 1479 N ND2 . ASN A 1 153 ? 86.642 90.773 33.613 1.00 42.73 ? 234 ASN A ND2 1 ATOM 1480 H H . ASN A 1 153 ? 85.509 88.598 35.966 1.00 0.00 ? 234 ASN A H 1 ATOM 1481 H HD21 . ASN A 1 153 ? 85.886 91.372 33.476 1.00 0.00 ? 234 ASN A HD21 1 ATOM 1482 H HD22 . ASN A 1 153 ? 87.412 90.968 34.195 1.00 0.00 ? 234 ASN A HD22 1 ATOM 1483 N N . GLY A 1 154 ? 87.634 86.021 36.145 1.00 32.25 ? 235 GLY A N 1 ATOM 1484 C CA . GLY A 1 154 ? 88.438 84.865 36.441 1.00 29.77 ? 235 GLY A CA 1 ATOM 1485 C C . GLY A 1 154 ? 89.438 85.176 37.511 1.00 29.92 ? 235 GLY A C 1 ATOM 1486 O O . GLY A 1 154 ? 89.642 84.295 38.349 1.00 32.34 ? 235 GLY A O 1 ATOM 1487 H H . GLY A 1 154 ? 87.087 86.454 36.827 1.00 0.00 ? 235 GLY A H 1 ATOM 1488 N N . THR A 1 155 ? 90.019 86.373 37.595 1.00 27.02 ? 236 THR A N 1 ATOM 1489 C CA . THR A 1 155 ? 91.010 86.669 38.621 1.00 24.48 ? 236 THR A CA 1 ATOM 1490 C C . THR A 1 155 ? 90.425 87.207 39.904 1.00 22.76 ? 236 THR A C 1 ATOM 1491 O O . THR A 1 155 ? 89.649 88.163 39.846 1.00 23.21 ? 236 THR A O 1 ATOM 1492 C CB . THR A 1 155 ? 92.005 87.684 38.037 1.00 25.44 ? 236 THR A CB 1 ATOM 1493 O OG1 . THR A 1 155 ? 92.292 87.236 36.711 1.00 26.17 ? 236 THR A OG1 1 ATOM 1494 C CG2 . THR A 1 155 ? 93.259 87.839 38.886 1.00 24.79 ? 236 THR A CG2 1 ATOM 1495 H H . THR A 1 155 ? 89.871 87.054 36.908 1.00 0.00 ? 236 THR A H 1 ATOM 1496 H HG1 . THR A 1 155 ? 92.530 87.991 36.162 1.00 0.00 ? 236 THR A HG1 1 ATOM 1497 N N . CYS A 1 156 ? 90.750 86.653 41.053 1.00 20.83 ? 237 CYS A N 1 ATOM 1498 C CA . CYS A 1 156 ? 90.241 87.149 42.308 1.00 21.46 ? 237 CYS A CA 1 ATOM 1499 C C . CYS A 1 156 ? 91.401 87.882 42.935 1.00 23.60 ? 237 CYS A C 1 ATOM 1500 O O . CYS A 1 156 ? 92.562 87.606 42.615 1.00 26.00 ? 237 CYS A O 1 ATOM 1501 C CB . CYS A 1 156 ? 89.795 86.019 43.235 1.00 20.69 ? 237 CYS A CB 1 ATOM 1502 S SG . CYS A 1 156 ? 88.465 85.062 42.446 1.00 19.85 ? 237 CYS A SG 1 ATOM 1503 H H . CYS A 1 156 ? 91.357 85.887 41.061 1.00 0.00 ? 237 CYS A H 1 ATOM 1504 N N . THR A 1 157 ? 91.184 88.837 43.811 1.00 22.99 ? 238 THR A N 1 ATOM 1505 C CA . THR A 1 157 ? 92.301 89.529 44.365 1.00 22.20 ? 238 THR A CA 1 ATOM 1506 C C . THR A 1 157 ? 92.008 89.661 45.831 1.00 20.50 ? 238 THR A C 1 ATOM 1507 O O . THR A 1 157 ? 90.865 89.920 46.220 1.00 22.78 ? 238 THR A O 1 ATOM 1508 C CB . THR A 1 157 ? 92.414 90.878 43.571 1.00 23.48 ? 238 THR A CB 1 ATOM 1509 O OG1 . THR A 1 157 ? 93.641 91.448 43.994 1.00 24.83 ? 238 THR A OG1 1 ATOM 1510 C CG2 . THR A 1 157 ? 91.290 91.880 43.798 1.00 24.55 ? 238 THR A CG2 1 ATOM 1511 H H . THR A 1 157 ? 90.276 89.086 44.085 1.00 0.00 ? 238 THR A H 1 ATOM 1512 H HG1 . THR A 1 157 ? 94.329 90.768 44.018 1.00 0.00 ? 238 THR A HG1 1 ATOM 1513 N N . VAL A 1 158 ? 92.984 89.377 46.657 1.00 17.34 ? 239 VAL A N 1 ATOM 1514 C CA . VAL A 1 158 ? 92.753 89.511 48.070 1.00 17.28 ? 239 VAL A CA 1 ATOM 1515 C C . VAL A 1 158 ? 93.892 90.419 48.510 1.00 17.57 ? 239 VAL A C 1 ATOM 1516 O O . VAL A 1 158 ? 94.899 90.499 47.804 1.00 18.99 ? 239 VAL A O 1 ATOM 1517 C CB . VAL A 1 158 ? 92.798 88.114 48.777 1.00 16.33 ? 239 VAL A CB 1 ATOM 1518 C CG1 . VAL A 1 158 ? 94.131 87.448 48.538 1.00 18.15 ? 239 VAL A CG1 1 ATOM 1519 C CG2 . VAL A 1 158 ? 92.739 88.248 50.280 1.00 15.42 ? 239 VAL A CG2 1 ATOM 1520 H H . VAL A 1 158 ? 93.896 89.232 46.324 1.00 0.00 ? 239 VAL A H 1 ATOM 1521 N N . VAL A 1 159 ? 93.801 91.139 49.616 1.00 15.43 ? 240 VAL A N 1 ATOM 1522 C CA . VAL A 1 159 ? 94.915 91.962 50.010 1.00 19.03 ? 240 VAL A CA 1 ATOM 1523 C C . VAL A 1 159 ? 95.167 91.346 51.375 1.00 20.00 ? 240 VAL A C 1 ATOM 1524 O O . VAL A 1 159 ? 94.196 91.062 52.100 1.00 19.82 ? 240 VAL A O 1 ATOM 1525 C CB . VAL A 1 159 ? 94.609 93.597 50.092 1.00 17.98 ? 240 VAL A CB 1 ATOM 1526 C CG1 . VAL A 1 159 ? 93.556 93.986 49.041 1.00 16.36 ? 240 VAL A CG1 1 ATOM 1527 C CG2 . VAL A 1 159 ? 94.257 94.034 51.491 1.00 16.52 ? 240 VAL A CG2 1 ATOM 1528 H H . VAL A 1 159 ? 93.048 90.998 50.225 1.00 0.00 ? 240 VAL A H 1 ATOM 1529 N N . MET A 1 160 ? 96.451 91.194 51.712 1.00 20.56 ? 241 MET A N 1 ATOM 1530 C CA . MET A 1 160 ? 96.901 90.592 52.957 1.00 21.43 ? 241 MET A CA 1 ATOM 1531 C C . MET A 1 160 ? 98.090 91.357 53.489 1.00 20.62 ? 241 MET A C 1 ATOM 1532 O O . MET A 1 160 ? 98.802 91.989 52.700 1.00 19.36 ? 241 MET A O 1 ATOM 1533 C CB . MET A 1 160 ? 97.405 89.188 52.760 1.00 23.15 ? 241 MET A CB 1 ATOM 1534 C CG . MET A 1 160 ? 96.507 88.103 52.242 1.00 24.90 ? 241 MET A CG 1 ATOM 1535 S SD . MET A 1 160 ? 97.324 86.495 52.411 1.00 26.03 ? 241 MET A SD 1 ATOM 1536 C CE . MET A 1 160 ? 96.890 86.261 50.728 1.00 24.66 ? 241 MET A CE 1 ATOM 1537 H H . MET A 1 160 ? 97.152 91.547 51.126 1.00 0.00 ? 241 MET A H 1 ATOM 1538 N N . THR A 1 161 ? 98.337 91.319 54.787 1.00 19.58 ? 242 THR A N 1 ATOM 1539 C CA . THR A 1 161 ? 99.454 92.015 55.340 1.00 22.44 ? 242 THR A CA 1 ATOM 1540 C C . THR A 1 161 ? 100.090 91.147 56.440 1.00 23.96 ? 242 THR A C 1 ATOM 1541 O O . THR A 1 161 ? 99.427 90.343 57.110 1.00 24.63 ? 242 THR A O 1 ATOM 1542 C CB . THR A 1 161 ? 99.022 93.447 55.906 1.00 24.14 ? 242 THR A CB 1 ATOM 1543 O OG1 . THR A 1 161 ? 98.644 93.341 57.276 1.00 26.23 ? 242 THR A OG1 1 ATOM 1544 C CG2 . THR A 1 161 ? 97.835 94.032 55.166 1.00 23.48 ? 242 THR A CG2 1 ATOM 1545 H H . THR A 1 161 ? 97.786 90.775 55.389 1.00 0.00 ? 242 THR A H 1 ATOM 1546 H HG1 . THR A 1 161 ? 99.376 93.108 57.855 1.00 0.00 ? 242 THR A HG1 1 ATOM 1547 N N . ASP A 1 162 ? 101.388 91.328 56.690 1.00 24.64 ? 243 ASP A N 1 ATOM 1548 C CA . ASP A 1 162 ? 102.172 90.596 57.674 1.00 24.13 ? 243 ASP A CA 1 ATOM 1549 C C . ASP A 1 162 ? 103.072 91.660 58.233 1.00 25.42 ? 243 ASP A C 1 ATOM 1550 O O . ASP A 1 162 ? 103.686 92.350 57.410 1.00 25.92 ? 243 ASP A O 1 ATOM 1551 C CB . ASP A 1 162 ? 102.984 89.593 56.943 1.00 23.08 ? 243 ASP A CB 1 ATOM 1552 C CG . ASP A 1 162 ? 103.558 88.426 57.695 1.00 21.30 ? 243 ASP A CG 1 ATOM 1553 O OD1 . ASP A 1 162 ? 103.724 88.448 58.917 1.00 19.94 ? 243 ASP A OD1 1 ATOM 1554 O OD2 . ASP A 1 162 ? 103.836 87.470 56.991 1.00 20.93 ? 243 ASP A OD2 1 ATOM 1555 H H . ASP A 1 162 ? 101.891 91.979 56.163 1.00 0.00 ? 243 ASP A H 1 ATOM 1556 N N . GLY A 1 163 ? 103.219 91.844 59.523 1.00 26.69 ? 244 GLY A N 1 ATOM 1557 C CA . GLY A 1 163 ? 104.084 92.885 60.007 1.00 31.41 ? 244 GLY A CA 1 ATOM 1558 C C . GLY A 1 163 ? 103.538 93.435 61.309 1.00 35.82 ? 244 GLY A C 1 ATOM 1559 O O . GLY A 1 163 ? 102.766 92.761 61.997 1.00 36.55 ? 244 GLY A O 1 ATOM 1560 H H . GLY A 1 163 ? 102.656 91.359 60.172 1.00 0.00 ? 244 GLY A H 1 ATOM 1561 N N . SER A 1 164 ? 103.901 94.667 61.669 1.00 38.43 ? 245 SER A N 1 ATOM 1562 C CA . SER A 1 164 ? 103.440 95.227 62.912 1.00 40.29 ? 245 SER A CA 1 ATOM 1563 C C . SER A 1 164 ? 102.025 95.729 62.790 1.00 41.18 ? 245 SER A C 1 ATOM 1564 O O . SER A 1 164 ? 101.555 96.111 61.715 1.00 41.71 ? 245 SER A O 1 ATOM 1565 C CB . SER A 1 164 ? 104.358 96.362 63.328 1.00 40.95 ? 245 SER A CB 1 ATOM 1566 O OG . SER A 1 164 ? 104.274 96.504 64.747 1.00 43.20 ? 245 SER A OG 1 ATOM 1567 H H . SER A 1 164 ? 104.405 95.241 61.057 1.00 0.00 ? 245 SER A H 1 ATOM 1568 H HG . SER A 1 164 ? 104.916 97.159 65.052 1.00 0.00 ? 245 SER A HG 1 ATOM 1569 N N . ALA A 1 165 ? 101.388 95.695 63.958 1.00 42.60 ? 246 ALA A N 1 ATOM 1570 C CA . ALA A 1 165 ? 100.011 96.111 64.153 1.00 44.41 ? 246 ALA A CA 1 ATOM 1571 C C . ALA A 1 165 ? 99.969 97.622 64.130 1.00 46.04 ? 246 ALA A C 1 ATOM 1572 O O . ALA A 1 165 ? 99.311 98.241 63.291 1.00 46.53 ? 246 ALA A O 1 ATOM 1573 C CB . ALA A 1 165 ? 99.492 95.659 65.505 1.00 44.68 ? 246 ALA A CB 1 ATOM 1574 H H . ALA A 1 165 ? 101.920 95.426 64.737 1.00 0.00 ? 246 ALA A H 1 ATOM 1575 N N . SER A 1 166 ? 100.709 98.224 65.042 1.00 47.43 ? 247 SER A N 1 ATOM 1576 C CA . SER A 1 166 ? 100.794 99.657 65.153 1.00 48.20 ? 247 SER A CA 1 ATOM 1577 C C . SER A 1 166 ? 102.305 99.799 65.072 1.00 46.88 ? 247 SER A C 1 ATOM 1578 O O . SER A 1 166 ? 103.061 99.566 66.024 1.00 46.57 ? 247 SER A O 1 ATOM 1579 C CB . SER A 1 166 ? 100.181 100.067 66.500 1.00 49.49 ? 247 SER A CB 1 ATOM 1580 O OG . SER A 1 166 ? 98.807 99.644 66.516 1.00 51.96 ? 247 SER A OG 1 ATOM 1581 H H . SER A 1 166 ? 101.273 97.709 65.656 1.00 0.00 ? 247 SER A H 1 ATOM 1582 H HG . SER A 1 166 ? 98.310 100.381 66.125 1.00 0.00 ? 247 SER A HG 1 ATOM 1583 N N . GLY A 1 167 ? 102.637 99.922 63.789 1.00 44.46 ? 248 GLY A N 1 ATOM 1584 C CA . GLY A 1 167 ? 103.979 100.088 63.288 1.00 43.01 ? 248 GLY A CA 1 ATOM 1585 C C . GLY A 1 167 ? 103.930 99.851 61.787 1.00 42.91 ? 248 GLY A C 1 ATOM 1586 O O . GLY A 1 167 ? 102.869 99.534 61.251 1.00 42.91 ? 248 GLY A O 1 ATOM 1587 H H . GLY A 1 167 ? 101.938 99.830 63.109 1.00 0.00 ? 248 GLY A H 1 ATOM 1588 N N . ARG A 1 168 ? 105.009 100.014 61.041 1.00 43.74 ? 249 ARG A N 1 ATOM 1589 C CA . ARG A 1 168 ? 104.973 99.764 59.610 1.00 45.24 ? 249 ARG A CA 1 ATOM 1590 C C . ARG A 1 168 ? 104.769 98.253 59.359 1.00 43.80 ? 249 ARG A C 1 ATOM 1591 O O . ARG A 1 168 ? 105.171 97.411 60.181 1.00 44.46 ? 249 ARG A O 1 ATOM 1592 C CB . ARG A 1 168 ? 106.292 100.277 59.026 1.00 48.78 ? 249 ARG A CB 1 ATOM 1593 C CG . ARG A 1 168 ? 106.381 100.112 57.503 1.00 53.90 ? 249 ARG A CG 1 ATOM 1594 C CD . ARG A 1 168 ? 107.247 101.149 56.775 1.00 58.34 ? 249 ARG A CD 1 ATOM 1595 N NE . ARG A 1 168 ? 108.672 101.080 57.089 1.00 63.04 ? 249 ARG A NE 1 ATOM 1596 C CZ . ARG A 1 168 ? 109.318 102.038 57.792 1.00 65.11 ? 249 ARG A CZ 1 ATOM 1597 N NH1 . ARG A 1 168 ? 108.685 103.130 58.281 1.00 66.22 ? 249 ARG A NH1 1 ATOM 1598 N NH2 . ARG A 1 168 ? 110.631 101.878 58.026 1.00 65.67 ? 249 ARG A NH2 1 ATOM 1599 H H . ARG A 1 168 ? 105.859 100.219 61.473 1.00 0.00 ? 249 ARG A H 1 ATOM 1600 H HE . ARG A 1 168 ? 109.181 100.299 56.787 1.00 0.00 ? 249 ARG A HE 1 ATOM 1601 H HH11 . ARG A 1 168 ? 107.705 103.254 58.129 1.00 0.00 ? 249 ARG A HH11 1 ATOM 1602 H HH12 . ARG A 1 168 ? 109.198 103.823 58.787 1.00 0.00 ? 249 ARG A HH12 1 ATOM 1603 H HH21 . ARG A 1 168 ? 111.099 101.064 57.682 1.00 0.00 ? 249 ARG A HH21 1 ATOM 1604 H HH22 . ARG A 1 168 ? 111.140 102.572 58.535 1.00 0.00 ? 249 ARG A HH22 1 ATOM 1605 N N . ALA A 1 169 ? 104.137 97.825 58.277 1.00 39.61 ? 250 ALA A N 1 ATOM 1606 C CA . ALA A 1 169 ? 103.928 96.417 58.028 1.00 36.06 ? 250 ALA A CA 1 ATOM 1607 C C . ALA A 1 169 ? 104.064 96.157 56.543 1.00 34.99 ? 250 ALA A C 1 ATOM 1608 O O . ALA A 1 169 ? 104.128 97.091 55.733 1.00 35.03 ? 250 ALA A O 1 ATOM 1609 C CB . ALA A 1 169 ? 102.544 96.028 58.487 1.00 35.68 ? 250 ALA A CB 1 ATOM 1610 H H . ALA A 1 169 ? 103.853 98.458 57.586 1.00 0.00 ? 250 ALA A H 1 ATOM 1611 N N . ASP A 1 170 ? 104.094 94.894 56.153 1.00 33.78 ? 251 ASP A N 1 ATOM 1612 C CA . ASP A 1 170 ? 104.236 94.508 54.761 1.00 33.11 ? 251 ASP A CA 1 ATOM 1613 C C . ASP A 1 170 ? 102.899 94.001 54.241 1.00 31.55 ? 251 ASP A C 1 ATOM 1614 O O . ASP A 1 170 ? 102.470 92.912 54.637 1.00 30.62 ? 251 ASP A O 1 ATOM 1615 C CB . ASP A 1 170 ? 105.274 93.422 54.676 1.00 35.40 ? 251 ASP A CB 1 ATOM 1616 C CG . ASP A 1 170 ? 105.801 93.076 53.289 1.00 37.33 ? 251 ASP A CG 1 ATOM 1617 O OD1 . ASP A 1 170 ? 105.141 93.327 52.267 1.00 37.48 ? 251 ASP A OD1 1 ATOM 1618 O OD2 . ASP A 1 170 ? 106.908 92.525 53.262 1.00 39.26 ? 251 ASP A OD2 1 ATOM 1619 H H . ASP A 1 170 ? 103.984 94.190 56.825 1.00 0.00 ? 251 ASP A H 1 ATOM 1620 N N . THR A 1 171 ? 102.331 94.786 53.328 1.00 26.88 ? 252 THR A N 1 ATOM 1621 C CA . THR A 1 171 ? 101.057 94.540 52.704 1.00 23.78 ? 252 THR A CA 1 ATOM 1622 C C . THR A 1 171 ? 101.295 94.194 51.251 1.00 23.98 ? 252 THR A C 1 ATOM 1623 O O . THR A 1 171 ? 102.036 94.906 50.569 1.00 24.49 ? 252 THR A O 1 ATOM 1624 C CB . THR A 1 171 ? 100.161 95.837 52.841 1.00 22.77 ? 252 THR A CB 1 ATOM 1625 O OG1 . THR A 1 171 ? 99.957 96.082 54.244 1.00 20.55 ? 252 THR A OG1 1 ATOM 1626 C CG2 . THR A 1 171 ? 98.835 95.709 52.092 1.00 20.70 ? 252 THR A CG2 1 ATOM 1627 H H . THR A 1 171 ? 102.826 95.569 53.013 1.00 0.00 ? 252 THR A H 1 ATOM 1628 H HG1 . THR A 1 171 ? 99.943 97.033 54.427 1.00 0.00 ? 252 THR A HG1 1 ATOM 1629 N N . ARG A 1 172 ? 100.661 93.148 50.736 1.00 23.92 ? 253 ARG A N 1 ATOM 1630 C CA . ARG A 1 172 ? 100.781 92.705 49.360 1.00 23.36 ? 253 ARG A CA 1 ATOM 1631 C C . ARG A 1 172 ? 99.324 92.350 49.009 1.00 22.05 ? 253 ARG A C 1 ATOM 1632 O O . ARG A 1 172 ? 98.494 92.023 49.874 1.00 17.92 ? 253 ARG A O 1 ATOM 1633 C CB . ARG A 1 172 ? 101.660 91.444 49.224 1.00 27.40 ? 253 ARG A CB 1 ATOM 1634 C CG . ARG A 1 172 ? 102.872 91.251 50.150 1.00 29.68 ? 253 ARG A CG 1 ATOM 1635 C CD . ARG A 1 172 ? 104.160 91.515 49.435 1.00 32.89 ? 253 ARG A CD 1 ATOM 1636 N NE . ARG A 1 172 ? 104.981 90.314 49.351 1.00 35.15 ? 253 ARG A NE 1 ATOM 1637 C CZ . ARG A 1 172 ? 106.007 90.019 50.176 1.00 34.41 ? 253 ARG A CZ 1 ATOM 1638 N NH1 . ARG A 1 172 ? 106.410 90.772 51.195 1.00 32.62 ? 253 ARG A NH1 1 ATOM 1639 N NH2 . ARG A 1 172 ? 106.646 88.881 49.960 1.00 34.43 ? 253 ARG A NH2 1 ATOM 1640 H H . ARG A 1 172 ? 100.008 92.665 51.293 1.00 0.00 ? 253 ARG A H 1 ATOM 1641 H HE . ARG A 1 172 ? 104.773 89.665 48.648 1.00 0.00 ? 253 ARG A HE 1 ATOM 1642 H HH11 . ARG A 1 172 ? 105.936 91.628 51.391 1.00 0.00 ? 253 ARG A HH11 1 ATOM 1643 H HH12 . ARG A 1 172 ? 107.183 90.487 51.764 1.00 0.00 ? 253 ARG A HH12 1 ATOM 1644 H HH21 . ARG A 1 172 ? 106.362 88.281 49.212 1.00 0.00 ? 253 ARG A HH21 1 ATOM 1645 H HH22 . ARG A 1 172 ? 107.414 88.625 50.548 1.00 0.00 ? 253 ARG A HH22 1 ATOM 1646 N N . ILE A 1 173 ? 99.073 92.404 47.708 1.00 19.95 ? 254 ILE A N 1 ATOM 1647 C CA . ILE A 1 173 ? 97.807 92.189 47.061 1.00 20.46 ? 254 ILE A CA 1 ATOM 1648 C C . ILE A 1 173 ? 98.075 91.047 46.118 1.00 21.95 ? 254 ILE A C 1 ATOM 1649 O O . ILE A 1 173 ? 98.836 91.202 45.152 1.00 21.16 ? 254 ILE A O 1 ATOM 1650 C CB . ILE A 1 173 ? 97.367 93.457 46.243 1.00 19.86 ? 254 ILE A CB 1 ATOM 1651 C CG1 . ILE A 1 173 ? 96.987 94.567 47.181 1.00 19.04 ? 254 ILE A CG1 1 ATOM 1652 C CG2 . ILE A 1 173 ? 96.229 93.132 45.292 1.00 20.35 ? 254 ILE A CG2 1 ATOM 1653 C CD1 . ILE A 1 173 ? 98.211 95.422 47.578 1.00 19.89 ? 254 ILE A CD1 1 ATOM 1654 H H . ILE A 1 173 ? 99.820 92.606 47.111 1.00 0.00 ? 254 ILE A H 1 ATOM 1655 N N . LEU A 1 174 ? 97.412 89.921 46.380 1.00 22.77 ? 255 LEU A N 1 ATOM 1656 C CA . LEU A 1 174 ? 97.605 88.772 45.555 1.00 24.08 ? 255 LEU A CA 1 ATOM 1657 C C . LEU A 1 174 ? 96.459 88.679 44.611 1.00 23.78 ? 255 LEU A C 1 ATOM 1658 O O . LEU A 1 174 ? 95.339 88.990 44.983 1.00 25.85 ? 255 LEU A O 1 ATOM 1659 C CB . LEU A 1 174 ? 97.629 87.489 46.342 1.00 25.49 ? 255 LEU A CB 1 ATOM 1660 C CG . LEU A 1 174 ? 98.221 87.314 47.735 1.00 26.81 ? 255 LEU A CG 1 ATOM 1661 C CD1 . LEU A 1 174 ? 98.498 85.831 47.821 1.00 26.90 ? 255 LEU A CD1 1 ATOM 1662 C CD2 . LEU A 1 174 ? 99.525 88.036 48.008 1.00 27.60 ? 255 LEU A CD2 1 ATOM 1663 H H . LEU A 1 174 ? 96.671 89.945 47.021 1.00 0.00 ? 255 LEU A H 1 ATOM 1664 N N . PHE A 1 175 ? 96.771 88.278 43.404 1.00 24.89 ? 256 PHE A N 1 ATOM 1665 C CA . PHE A 1 175 ? 95.859 88.076 42.310 1.00 27.64 ? 256 PHE A CA 1 ATOM 1666 C C . PHE A 1 175 ? 95.873 86.550 42.159 1.00 29.05 ? 256 PHE A C 1 ATOM 1667 O O . PHE A 1 175 ? 96.947 85.916 42.079 1.00 28.95 ? 256 PHE A O 1 ATOM 1668 C CB . PHE A 1 175 ? 96.400 88.727 41.069 1.00 29.73 ? 256 PHE A CB 1 ATOM 1669 C CG . PHE A 1 175 ? 96.468 90.226 41.220 1.00 32.57 ? 256 PHE A CG 1 ATOM 1670 C CD1 . PHE A 1 175 ? 97.566 90.805 41.825 1.00 32.94 ? 256 PHE A CD1 1 ATOM 1671 C CD2 . PHE A 1 175 ? 95.407 90.992 40.761 1.00 33.77 ? 256 PHE A CD2 1 ATOM 1672 C CE1 . PHE A 1 175 ? 97.604 92.167 41.977 1.00 34.60 ? 256 PHE A CE1 1 ATOM 1673 C CE2 . PHE A 1 175 ? 95.460 92.364 40.920 1.00 35.05 ? 256 PHE A CE2 1 ATOM 1674 C CZ . PHE A 1 175 ? 96.555 92.950 41.527 1.00 34.89 ? 256 PHE A CZ 1 ATOM 1675 H H . PHE A 1 175 ? 97.708 88.017 43.257 1.00 0.00 ? 256 PHE A H 1 ATOM 1676 N N . ILE A 1 176 ? 94.711 85.903 42.081 1.00 29.24 ? 257 ILE A N 1 ATOM 1677 C CA . ILE A 1 176 ? 94.649 84.453 41.985 1.00 28.62 ? 257 ILE A CA 1 ATOM 1678 C C . ILE A 1 176 ? 93.600 83.919 41.034 1.00 28.31 ? 257 ILE A C 1 ATOM 1679 O O . ILE A 1 176 ? 92.456 84.348 41.040 1.00 29.19 ? 257 ILE A O 1 ATOM 1680 C CB . ILE A 1 176 ? 94.526 83.902 43.481 1.00 27.39 ? 257 ILE A CB 1 ATOM 1681 C CG1 . ILE A 1 176 ? 93.583 82.753 43.487 1.00 26.90 ? 257 ILE A CG1 1 ATOM 1682 C CG2 . ILE A 1 176 ? 94.122 84.973 44.514 1.00 27.27 ? 257 ILE A CG2 1 ATOM 1683 C CD1 . ILE A 1 176 ? 93.596 82.228 44.923 1.00 27.95 ? 257 ILE A CD1 1 ATOM 1684 H H . ILE A 1 176 ? 93.874 86.406 42.042 1.00 0.00 ? 257 ILE A H 1 ATOM 1685 N N . GLU A 1 177 ? 94.006 82.990 40.191 1.00 28.65 ? 258 GLU A N 1 ATOM 1686 C CA . GLU A 1 177 ? 93.135 82.385 39.211 1.00 30.69 ? 258 GLU A CA 1 ATOM 1687 C C . GLU A 1 177 ? 92.936 80.941 39.592 1.00 30.57 ? 258 GLU A C 1 ATOM 1688 O O . GLU A 1 177 ? 93.898 80.195 39.779 1.00 31.89 ? 258 GLU A O 1 ATOM 1689 C CB . GLU A 1 177 ? 93.755 82.456 37.859 1.00 32.95 ? 258 GLU A CB 1 ATOM 1690 C CG . GLU A 1 177 ? 93.559 83.877 37.410 1.00 37.28 ? 258 GLU A CG 1 ATOM 1691 C CD . GLU A 1 177 ? 94.458 84.347 36.288 1.00 39.85 ? 258 GLU A CD 1 ATOM 1692 O OE1 . GLU A 1 177 ? 94.572 83.666 35.256 1.00 41.53 ? 258 GLU A OE1 1 ATOM 1693 O OE2 . GLU A 1 177 ? 95.049 85.414 36.472 1.00 41.70 ? 258 GLU A OE2 1 ATOM 1694 H H . GLU A 1 177 ? 94.906 82.610 40.295 1.00 0.00 ? 258 GLU A H 1 ATOM 1695 N N . GLU A 1 178 ? 91.675 80.550 39.762 1.00 28.98 ? 259 GLU A N 1 ATOM 1696 C CA . GLU A 1 178 ? 91.283 79.216 40.152 1.00 26.32 ? 259 GLU A CA 1 ATOM 1697 C C . GLU A 1 178 ? 92.050 78.676 41.344 1.00 24.29 ? 259 GLU A C 1 ATOM 1698 O O . GLU A 1 178 ? 92.497 77.529 41.307 1.00 26.49 ? 259 GLU A O 1 ATOM 1699 C CB . GLU A 1 178 ? 91.439 78.279 38.975 1.00 26.73 ? 259 GLU A CB 1 ATOM 1700 C CG . GLU A 1 178 ? 90.428 78.740 37.984 1.00 30.16 ? 259 GLU A CG 1 ATOM 1701 C CD . GLU A 1 178 ? 90.295 77.792 36.825 1.00 32.49 ? 259 GLU A CD 1 ATOM 1702 O OE1 . GLU A 1 178 ? 89.490 76.878 36.946 1.00 35.97 ? 259 GLU A OE1 1 ATOM 1703 O OE2 . GLU A 1 178 ? 90.988 77.939 35.814 1.00 34.17 ? 259 GLU A OE2 1 ATOM 1704 H H . GLU A 1 178 ? 90.975 81.235 39.665 1.00 0.00 ? 259 GLU A H 1 ATOM 1705 N N . GLY A 1 179 ? 92.209 79.412 42.438 1.00 20.98 ? 260 GLY A N 1 ATOM 1706 C CA . GLY A 1 179 ? 92.958 78.893 43.577 1.00 18.94 ? 260 GLY A CA 1 ATOM 1707 C C . GLY A 1 179 ? 94.478 79.135 43.499 1.00 16.81 ? 260 GLY A C 1 ATOM 1708 O O . GLY A 1 179 ? 95.164 79.185 44.522 1.00 13.91 ? 260 GLY A O 1 ATOM 1709 H H . GLY A 1 179 ? 91.788 80.301 42.504 1.00 0.00 ? 260 GLY A H 1 ATOM 1710 N N . LYS A 1 180 ? 95.016 79.410 42.324 1.00 16.52 ? 261 LYS A N 1 ATOM 1711 C CA . LYS A 1 180 ? 96.436 79.607 42.142 1.00 20.13 ? 261 LYS A CA 1 ATOM 1712 C C . LYS A 1 180 ? 96.915 81.047 42.184 1.00 18.87 ? 261 LYS A C 1 ATOM 1713 O O . LYS A 1 180 ? 96.458 81.873 41.379 1.00 17.46 ? 261 LYS A O 1 ATOM 1714 C CB . LYS A 1 180 ? 96.869 79.001 40.792 1.00 23.21 ? 261 LYS A CB 1 ATOM 1715 C CG . LYS A 1 180 ? 98.333 78.543 40.726 1.00 28.86 ? 261 LYS A CG 1 ATOM 1716 C CD . LYS A 1 180 ? 98.427 77.206 41.494 1.00 32.88 ? 261 LYS A CD 1 ATOM 1717 C CE . LYS A 1 180 ? 99.800 76.496 41.490 1.00 35.04 ? 261 LYS A CE 1 ATOM 1718 N NZ . LYS A 1 180 ? 100.283 76.300 42.860 1.00 36.89 ? 261 LYS A NZ 1 ATOM 1719 H H . LYS A 1 180 ? 94.443 79.483 41.533 1.00 0.00 ? 261 LYS A H 1 ATOM 1720 H HZ1 . LYS A 1 180 ? 99.597 75.737 43.402 1.00 0.00 ? 261 LYS A HZ1 1 ATOM 1721 H HZ2 . LYS A 1 180 ? 101.201 75.812 42.846 1.00 0.00 ? 261 LYS A HZ2 1 ATOM 1722 H HZ3 . LYS A 1 180 ? 100.399 77.226 43.317 1.00 0.00 ? 261 LYS A HZ3 1 ATOM 1723 N N . ILE A 1 181 ? 97.839 81.367 43.090 1.00 17.12 ? 262 ILE A N 1 ATOM 1724 C CA . ILE A 1 181 ? 98.385 82.706 43.177 1.00 17.59 ? 262 ILE A CA 1 ATOM 1725 C C . ILE A 1 181 ? 99.118 82.989 41.865 1.00 18.96 ? 262 ILE A C 1 ATOM 1726 O O . ILE A 1 181 ? 100.116 82.350 41.571 1.00 23.48 ? 262 ILE A O 1 ATOM 1727 C CB . ILE A 1 181 ? 99.332 82.799 44.335 1.00 14.57 ? 262 ILE A CB 1 ATOM 1728 C CG1 . ILE A 1 181 ? 98.640 82.468 45.629 1.00 14.38 ? 262 ILE A CG1 1 ATOM 1729 C CG2 . ILE A 1 181 ? 99.860 84.231 44.374 1.00 16.96 ? 262 ILE A CG2 1 ATOM 1730 C CD1 . ILE A 1 181 ? 99.567 82.522 46.866 1.00 14.54 ? 262 ILE A CD1 1 ATOM 1731 H H . ILE A 1 181 ? 98.186 80.666 43.671 1.00 0.00 ? 262 ILE A H 1 ATOM 1732 N N . VAL A 1 182 ? 98.613 83.837 40.994 1.00 19.84 ? 263 VAL A N 1 ATOM 1733 C CA . VAL A 1 182 ? 99.258 84.132 39.729 1.00 20.98 ? 263 VAL A CA 1 ATOM 1734 C C . VAL A 1 182 ? 100.091 85.429 39.753 1.00 22.70 ? 263 VAL A C 1 ATOM 1735 O O . VAL A 1 182 ? 100.750 85.743 38.759 1.00 23.14 ? 263 VAL A O 1 ATOM 1736 C CB . VAL A 1 182 ? 98.208 84.249 38.608 1.00 20.95 ? 263 VAL A CB 1 ATOM 1737 C CG1 . VAL A 1 182 ? 97.558 82.910 38.402 1.00 20.55 ? 263 VAL A CG1 1 ATOM 1738 C CG2 . VAL A 1 182 ? 97.154 85.301 38.968 1.00 21.58 ? 263 VAL A CG2 1 ATOM 1739 H H . VAL A 1 182 ? 97.775 84.281 41.238 1.00 0.00 ? 263 VAL A H 1 ATOM 1740 N N . HIS A 1 183 ? 100.066 86.259 40.805 1.00 22.63 ? 264 HIS A N 1 ATOM 1741 C CA . HIS A 1 183 ? 100.830 87.486 40.861 1.00 22.28 ? 264 HIS A CA 1 ATOM 1742 C C . HIS A 1 183 ? 100.660 88.003 42.253 1.00 22.15 ? 264 HIS A C 1 ATOM 1743 O O . HIS A 1 183 ? 99.681 87.689 42.914 1.00 22.33 ? 264 HIS A O 1 ATOM 1744 C CB . HIS A 1 183 ? 100.300 88.556 39.926 1.00 24.16 ? 264 HIS A CB 1 ATOM 1745 C CG . HIS A 1 183 ? 101.319 89.669 39.671 1.00 25.86 ? 264 HIS A CG 1 ATOM 1746 N ND1 . HIS A 1 183 ? 101.823 90.609 40.491 1.00 26.03 ? 264 HIS A ND1 1 ATOM 1747 C CD2 . HIS A 1 183 ? 101.920 89.845 38.443 1.00 25.61 ? 264 HIS A CD2 1 ATOM 1748 C CE1 . HIS A 1 183 ? 102.685 91.324 39.812 1.00 25.78 ? 264 HIS A CE1 1 ATOM 1749 N NE2 . HIS A 1 183 ? 102.734 90.859 38.585 1.00 26.04 ? 264 HIS A NE2 1 ATOM 1750 H H . HIS A 1 183 ? 99.488 86.028 41.569 1.00 0.00 ? 264 HIS A H 1 ATOM 1751 H HD1 . HIS A 1 183 ? 101.521 90.890 41.387 1.00 0.00 ? 264 HIS A HD1 1 ATOM 1752 H HE2 . HIS A 1 183 ? 103.260 91.273 37.867 1.00 0.00 ? 264 HIS A HE2 1 ATOM 1753 N N . ILE A 1 184 ? 101.633 88.738 42.755 1.00 22.88 ? 265 ILE A N 1 ATOM 1754 C CA . ILE A 1 184 ? 101.588 89.342 44.077 1.00 23.38 ? 265 ILE A CA 1 ATOM 1755 C C . ILE A 1 184 ? 102.095 90.744 43.757 1.00 25.00 ? 265 ILE A C 1 ATOM 1756 O O . ILE A 1 184 ? 102.961 90.883 42.881 1.00 25.69 ? 265 ILE A O 1 ATOM 1757 C CB . ILE A 1 184 ? 102.522 88.628 45.008 1.00 23.23 ? 265 ILE A CB 1 ATOM 1758 C CG1 . ILE A 1 184 ? 102.135 87.143 45.090 1.00 23.59 ? 265 ILE A CG1 1 ATOM 1759 C CG2 . ILE A 1 184 ? 102.493 89.356 46.331 1.00 24.63 ? 265 ILE A CG2 1 ATOM 1760 C CD1 . ILE A 1 184 ? 102.538 86.310 46.326 1.00 23.50 ? 265 ILE A CD1 1 ATOM 1761 H H . ILE A 1 184 ? 102.459 88.876 42.248 1.00 0.00 ? 265 ILE A H 1 ATOM 1762 N N . SER A 1 185 ? 101.465 91.803 44.270 1.00 25.29 ? 266 SER A N 1 ATOM 1763 C CA . SER A 1 185 ? 101.855 93.179 44.025 1.00 22.75 ? 266 SER A CA 1 ATOM 1764 C C . SER A 1 185 ? 101.945 93.862 45.367 1.00 22.90 ? 266 SER A C 1 ATOM 1765 O O . SER A 1 185 ? 101.064 93.669 46.214 1.00 23.31 ? 266 SER A O 1 ATOM 1766 C CB . SER A 1 185 ? 100.831 93.852 43.175 1.00 21.88 ? 266 SER A CB 1 ATOM 1767 O OG . SER A 1 185 ? 100.832 93.307 41.861 1.00 23.84 ? 266 SER A OG 1 ATOM 1768 H H . SER A 1 185 ? 100.666 91.660 44.821 1.00 0.00 ? 266 SER A H 1 ATOM 1769 H HG . SER A 1 185 ? 100.264 93.924 41.372 1.00 0.00 ? 266 SER A HG 1 ATOM 1770 N N . PRO A 1 186 ? 103.029 94.565 45.699 1.00 22.49 ? 267 PRO A N 1 ATOM 1771 C CA . PRO A 1 186 ? 103.121 95.232 46.983 1.00 21.57 ? 267 PRO A CA 1 ATOM 1772 C C . PRO A 1 186 ? 102.388 96.548 46.868 1.00 21.62 ? 267 PRO A C 1 ATOM 1773 O O . PRO A 1 186 ? 102.109 97.086 45.773 1.00 21.58 ? 267 PRO A O 1 ATOM 1774 C CB . PRO A 1 186 ? 104.598 95.332 47.236 1.00 21.28 ? 267 PRO A CB 1 ATOM 1775 C CG . PRO A 1 186 ? 105.127 95.493 45.840 1.00 22.41 ? 267 PRO A CG 1 ATOM 1776 C CD . PRO A 1 186 ? 104.312 94.514 45.020 1.00 22.46 ? 267 PRO A CD 1 ATOM 1777 N N . LEU A 1 187 ? 101.990 96.915 48.081 1.00 20.83 ? 268 LEU A N 1 ATOM 1778 C CA . LEU A 1 187 ? 101.265 98.135 48.302 1.00 23.36 ? 268 LEU A CA 1 ATOM 1779 C C . LEU A 1 187 ? 102.148 99.320 47.900 1.00 27.19 ? 268 LEU A C 1 ATOM 1780 O O . LEU A 1 187 ? 103.322 99.426 48.289 1.00 27.63 ? 268 LEU A O 1 ATOM 1781 C CB . LEU A 1 187 ? 100.910 98.254 49.760 1.00 20.50 ? 268 LEU A CB 1 ATOM 1782 C CG . LEU A 1 187 ? 100.175 99.504 50.134 1.00 20.01 ? 268 LEU A CG 1 ATOM 1783 C CD1 . LEU A 1 187 ? 98.774 99.444 49.564 1.00 20.23 ? 268 LEU A CD1 1 ATOM 1784 C CD2 . LEU A 1 187 ? 100.220 99.669 51.639 1.00 19.48 ? 268 LEU A CD2 1 ATOM 1785 H H . LEU A 1 187 ? 102.241 96.366 48.856 1.00 0.00 ? 268 LEU A H 1 ATOM 1786 N N . ALA A 1 188 ? 101.490 100.197 47.140 1.00 28.68 ? 269 ALA A N 1 ATOM 1787 C CA . ALA A 1 188 ? 102.073 101.407 46.609 1.00 28.64 ? 269 ALA A CA 1 ATOM 1788 C C . ALA A 1 188 ? 101.083 102.544 46.927 1.00 30.62 ? 269 ALA A C 1 ATOM 1789 O O . ALA A 1 188 ? 99.896 102.247 47.190 1.00 31.64 ? 269 ALA A O 1 ATOM 1790 C CB . ALA A 1 188 ? 102.209 101.235 45.111 1.00 26.44 ? 269 ALA A CB 1 ATOM 1791 H H . ALA A 1 188 ? 100.537 100.059 46.972 1.00 0.00 ? 269 ALA A H 1 ATOM 1792 N N . GLY A 1 189 ? 101.525 103.828 46.856 1.00 30.09 ? 270 GLY A N 1 ATOM 1793 C CA . GLY A 1 189 ? 100.720 105.018 47.096 1.00 27.97 ? 270 GLY A CA 1 ATOM 1794 C C . GLY A 1 189 ? 100.929 105.591 48.486 1.00 27.29 ? 270 GLY A C 1 ATOM 1795 O O . GLY A 1 189 ? 101.840 105.187 49.198 1.00 27.02 ? 270 GLY A O 1 ATOM 1796 H H . GLY A 1 189 ? 102.479 103.959 46.648 1.00 0.00 ? 270 GLY A H 1 ATOM 1797 N N . SER A 1 190 ? 100.022 106.470 48.896 1.00 26.90 ? 271 SER A N 1 ATOM 1798 C CA . SER A 1 190 ? 100.063 107.178 50.165 1.00 25.89 ? 271 SER A CA 1 ATOM 1799 C C . SER A 1 190 ? 99.764 106.427 51.434 1.00 26.66 ? 271 SER A C 1 ATOM 1800 O O . SER A 1 190 ? 100.242 106.870 52.491 1.00 26.97 ? 271 SER A O 1 ATOM 1801 C CB . SER A 1 190 ? 99.077 108.415 50.178 1.00 26.99 ? 271 SER A CB 1 ATOM 1802 O OG . SER A 1 190 ? 98.455 108.974 48.993 1.00 26.89 ? 271 SER A OG 1 ATOM 1803 H H . SER A 1 190 ? 99.255 106.661 48.318 1.00 0.00 ? 271 SER A H 1 ATOM 1804 H HG . SER A 1 190 ? 97.755 108.378 48.712 1.00 0.00 ? 271 SER A HG 1 ATOM 1805 N N . ALA A 1 191 ? 98.993 105.320 51.415 1.00 27.70 ? 272 ALA A N 1 ATOM 1806 C CA . ALA A 1 191 ? 98.643 104.658 52.668 1.00 28.58 ? 272 ALA A CA 1 ATOM 1807 C C . ALA A 1 191 ? 99.791 104.105 53.505 1.00 28.82 ? 272 ALA A C 1 ATOM 1808 O O . ALA A 1 191 ? 100.695 103.429 53.027 1.00 28.56 ? 272 ALA A O 1 ATOM 1809 C CB . ALA A 1 191 ? 97.628 103.544 52.383 1.00 26.50 ? 272 ALA A CB 1 ATOM 1810 H H . ALA A 1 191 ? 98.746 104.915 50.563 1.00 0.00 ? 272 ALA A H 1 ATOM 1811 N N . GLN A 1 192 ? 99.752 104.452 54.779 1.00 30.29 ? 273 GLN A N 1 ATOM 1812 C CA . GLN A 1 192 ? 100.755 104.065 55.741 1.00 33.36 ? 273 GLN A CA 1 ATOM 1813 C C . GLN A 1 192 ? 100.613 102.726 56.407 1.00 35.10 ? 273 GLN A C 1 ATOM 1814 O O . GLN A 1 192 ? 101.614 102.175 56.891 1.00 36.63 ? 273 GLN A O 1 ATOM 1815 C CB . GLN A 1 192 ? 100.838 105.041 56.901 1.00 35.81 ? 273 GLN A CB 1 ATOM 1816 C CG . GLN A 1 192 ? 101.320 106.418 56.509 1.00 39.33 ? 273 GLN A CG 1 ATOM 1817 C CD . GLN A 1 192 ? 102.818 106.539 56.321 1.00 40.76 ? 273 GLN A CD 1 ATOM 1818 O OE1 . GLN A 1 192 ? 103.557 106.855 57.262 1.00 41.26 ? 273 GLN A OE1 1 ATOM 1819 N NE2 . GLN A 1 192 ? 103.284 106.279 55.101 1.00 40.68 ? 273 GLN A NE2 1 ATOM 1820 H H . GLN A 1 192 ? 99.014 105.038 55.071 1.00 0.00 ? 273 GLN A H 1 ATOM 1821 H HE21 . GLN A 1 192 ? 104.255 106.333 54.996 1.00 0.00 ? 273 GLN A HE21 1 ATOM 1822 H HE22 . GLN A 1 192 ? 102.662 106.042 54.379 1.00 0.00 ? 273 GLN A HE22 1 ATOM 1823 N N . HIS A 1 193 ? 99.374 102.226 56.551 1.00 35.03 ? 274 HIS A N 1 ATOM 1824 C CA . HIS A 1 193 ? 99.142 100.956 57.223 1.00 33.33 ? 274 HIS A CA 1 ATOM 1825 C C . HIS A 1 193 ? 97.784 100.390 56.835 1.00 32.72 ? 274 HIS A C 1 ATOM 1826 O O . HIS A 1 193 ? 96.798 101.028 57.180 1.00 35.14 ? 274 HIS A O 1 ATOM 1827 C CB . HIS A 1 193 ? 99.220 101.205 58.708 1.00 32.00 ? 274 HIS A CB 1 ATOM 1828 C CG . HIS A 1 193 ? 99.378 99.932 59.503 1.00 33.55 ? 274 HIS A CG 1 ATOM 1829 N ND1 . HIS A 1 193 ? 100.474 99.213 59.673 1.00 34.03 ? 274 HIS A ND1 1 ATOM 1830 C CD2 . HIS A 1 193 ? 98.379 99.329 60.226 1.00 33.65 ? 274 HIS A CD2 1 ATOM 1831 C CE1 . HIS A 1 193 ? 100.183 98.217 60.459 1.00 32.89 ? 274 HIS A CE1 1 ATOM 1832 N NE2 . HIS A 1 193 ? 98.928 98.296 60.791 1.00 32.91 ? 274 HIS A NE2 1 ATOM 1833 H H . HIS A 1 193 ? 98.604 102.695 56.166 1.00 0.00 ? 274 HIS A H 1 ATOM 1834 H HD1 . HIS A 1 193 ? 101.403 99.469 59.471 1.00 0.00 ? 274 HIS A HD1 1 ATOM 1835 H HE2 . HIS A 1 193 ? 98.539 97.735 61.498 1.00 0.00 ? 274 HIS A HE2 1 ATOM 1836 N N . VAL A 1 194 ? 97.719 99.258 56.134 1.00 29.86 ? 275 VAL A N 1 ATOM 1837 C CA . VAL A 1 194 ? 96.505 98.589 55.693 1.00 27.08 ? 275 VAL A CA 1 ATOM 1838 C C . VAL A 1 194 ? 96.238 97.303 56.506 1.00 27.27 ? 275 VAL A C 1 ATOM 1839 O O . VAL A 1 194 ? 97.041 96.405 56.715 1.00 27.91 ? 275 VAL A O 1 ATOM 1840 C CB . VAL A 1 194 ? 96.698 98.314 54.234 1.00 25.91 ? 275 VAL A CB 1 ATOM 1841 C CG1 . VAL A 1 194 ? 95.519 97.571 53.672 1.00 23.67 ? 275 VAL A CG1 1 ATOM 1842 C CG2 . VAL A 1 194 ? 96.894 99.639 53.528 1.00 24.69 ? 275 VAL A CG2 1 ATOM 1843 H H . VAL A 1 194 ? 98.562 98.794 55.941 1.00 0.00 ? 275 VAL A H 1 ATOM 1844 N N . GLU A 1 195 ? 95.058 97.215 57.049 1.00 27.49 ? 276 GLU A N 1 ATOM 1845 C CA . GLU A 1 195 ? 94.604 96.119 57.868 1.00 26.76 ? 276 GLU A CA 1 ATOM 1846 C C . GLU A 1 195 ? 93.137 95.917 57.414 1.00 25.28 ? 276 GLU A C 1 ATOM 1847 O O . GLU A 1 195 ? 92.509 96.848 56.898 1.00 24.66 ? 276 GLU A O 1 ATOM 1848 C CB . GLU A 1 195 ? 94.806 96.692 59.248 1.00 29.32 ? 276 GLU A CB 1 ATOM 1849 C CG . GLU A 1 195 ? 94.968 95.878 60.514 1.00 33.88 ? 276 GLU A CG 1 ATOM 1850 C CD . GLU A 1 195 ? 96.312 95.198 60.670 1.00 36.31 ? 276 GLU A CD 1 ATOM 1851 O OE1 . GLU A 1 195 ? 96.848 94.767 59.643 1.00 38.90 ? 276 GLU A OE1 1 ATOM 1852 O OE2 . GLU A 1 195 ? 96.800 95.086 61.806 1.00 36.91 ? 276 GLU A OE2 1 ATOM 1853 H H . GLU A 1 195 ? 94.425 97.946 56.897 1.00 0.00 ? 276 GLU A H 1 ATOM 1854 N N . GLU A 1 196 ? 92.552 94.722 57.435 1.00 23.00 ? 277 GLU A N 1 ATOM 1855 C CA . GLU A 1 196 ? 91.156 94.433 57.080 1.00 19.18 ? 277 GLU A CA 1 ATOM 1856 C C . GLU A 1 196 ? 90.433 95.113 55.904 1.00 19.62 ? 277 GLU A C 1 ATOM 1857 O O . GLU A 1 196 ? 89.417 95.793 56.076 1.00 19.29 ? 277 GLU A O 1 ATOM 1858 C CB . GLU A 1 196 ? 90.380 94.636 58.379 1.00 16.18 ? 277 GLU A CB 1 ATOM 1859 C CG . GLU A 1 196 ? 90.873 93.656 59.423 1.00 14.41 ? 277 GLU A CG 1 ATOM 1860 C CD . GLU A 1 196 ? 90.570 94.029 60.859 1.00 16.03 ? 277 GLU A CD 1 ATOM 1861 O OE1 . GLU A 1 196 ? 90.099 95.122 61.140 1.00 16.80 ? 277 GLU A OE1 1 ATOM 1862 O OE2 . GLU A 1 196 ? 90.806 93.217 61.740 1.00 16.74 ? 277 GLU A OE2 1 ATOM 1863 H H . GLU A 1 196 ? 93.110 93.962 57.691 1.00 0.00 ? 277 GLU A H 1 ATOM 1864 N N . CYS A 1 197 ? 90.880 94.979 54.666 1.00 19.47 ? 278 CYS A N 1 ATOM 1865 C CA . CYS A 1 197 ? 90.166 95.645 53.616 1.00 19.41 ? 278 CYS A CA 1 ATOM 1866 C C . CYS A 1 197 ? 88.758 95.149 53.331 1.00 21.41 ? 278 CYS A C 1 ATOM 1867 O O . CYS A 1 197 ? 88.426 93.972 53.503 1.00 23.80 ? 278 CYS A O 1 ATOM 1868 C CB . CYS A 1 197 ? 91.005 95.575 52.367 1.00 20.17 ? 278 CYS A CB 1 ATOM 1869 S SG . CYS A 1 197 ? 92.455 96.666 52.558 1.00 20.79 ? 278 CYS A SG 1 ATOM 1870 H H . CYS A 1 197 ? 91.669 94.422 54.489 1.00 0.00 ? 278 CYS A H 1 ATOM 1871 N N . SER A 1 198 ? 87.881 96.116 53.018 1.00 21.03 ? 279 SER A N 1 ATOM 1872 C CA . SER A 1 198 ? 86.496 95.926 52.664 1.00 16.87 ? 279 SER A CA 1 ATOM 1873 C C . SER A 1 198 ? 86.595 96.343 51.227 1.00 17.92 ? 279 SER A C 1 ATOM 1874 O O . SER A 1 198 ? 86.655 97.539 50.919 1.00 21.16 ? 279 SER A O 1 ATOM 1875 C CB . SER A 1 198 ? 85.681 96.849 53.514 1.00 16.96 ? 279 SER A CB 1 ATOM 1876 O OG . SER A 1 198 ? 85.588 96.290 54.823 1.00 16.19 ? 279 SER A OG 1 ATOM 1877 H H . SER A 1 198 ? 88.161 97.050 53.136 1.00 0.00 ? 279 SER A H 1 ATOM 1878 H HG . SER A 1 198 ? 86.226 95.577 54.898 1.00 0.00 ? 279 SER A HG 1 ATOM 1879 N N . CYS A 1 199 ? 86.703 95.391 50.326 1.00 16.16 ? 280 CYS A N 1 ATOM 1880 C CA . CYS A 1 199 ? 86.864 95.684 48.937 1.00 17.03 ? 280 CYS A CA 1 ATOM 1881 C C . CYS A 1 199 ? 85.582 95.496 48.197 1.00 17.59 ? 280 CYS A C 1 ATOM 1882 O O . CYS A 1 199 ? 84.663 94.861 48.732 1.00 19.48 ? 280 CYS A O 1 ATOM 1883 C CB . CYS A 1 199 ? 87.976 94.770 48.388 1.00 20.23 ? 280 CYS A CB 1 ATOM 1884 S SG . CYS A 1 199 ? 89.542 94.875 49.315 1.00 22.12 ? 280 CYS A SG 1 ATOM 1885 H H . CYS A 1 199 ? 86.499 94.465 50.595 1.00 0.00 ? 280 CYS A H 1 ATOM 1886 N N . TYR A 1 200 ? 85.468 96.060 46.987 1.00 15.72 ? 281 TYR A N 1 ATOM 1887 C CA . TYR A 1 200 ? 84.245 95.940 46.219 1.00 16.05 ? 281 TYR A CA 1 ATOM 1888 C C . TYR A 1 200 ? 84.550 96.172 44.749 1.00 16.08 ? 281 TYR A C 1 ATOM 1889 O O . TYR A 1 200 ? 85.500 96.895 44.442 1.00 17.21 ? 281 TYR A O 1 ATOM 1890 C CB . TYR A 1 200 ? 83.179 96.975 46.779 1.00 16.62 ? 281 TYR A CB 1 ATOM 1891 C CG . TYR A 1 200 ? 83.512 98.466 46.768 1.00 15.69 ? 281 TYR A CG 1 ATOM 1892 C CD1 . TYR A 1 200 ? 83.376 99.155 45.584 1.00 15.41 ? 281 TYR A CD1 1 ATOM 1893 C CD2 . TYR A 1 200 ? 83.956 99.118 47.921 1.00 16.25 ? 281 TYR A CD2 1 ATOM 1894 C CE1 . TYR A 1 200 ? 83.688 100.497 45.546 1.00 16.44 ? 281 TYR A CE1 1 ATOM 1895 C CE2 . TYR A 1 200 ? 84.268 100.466 47.892 1.00 16.13 ? 281 TYR A CE2 1 ATOM 1896 C CZ . TYR A 1 200 ? 84.127 101.138 46.690 1.00 17.48 ? 281 TYR A CZ 1 ATOM 1897 O OH . TYR A 1 200 ? 84.430 102.494 46.585 1.00 20.54 ? 281 TYR A OH 1 ATOM 1898 H H . TYR A 1 200 ? 86.180 96.634 46.626 1.00 0.00 ? 281 TYR A H 1 ATOM 1899 H HH . TYR A 1 200 ? 84.509 102.698 45.649 1.00 0.00 ? 281 TYR A HH 1 ATOM 1900 N N . PRO A 1 201 ? 83.879 95.575 43.780 1.00 16.90 ? 282 PRO A N 1 ATOM 1901 C CA . PRO A 1 201 ? 84.149 95.810 42.377 1.00 19.04 ? 282 PRO A CA 1 ATOM 1902 C C . PRO A 1 201 ? 83.698 97.198 41.982 1.00 22.10 ? 282 PRO A C 1 ATOM 1903 O O . PRO A 1 201 ? 82.651 97.709 42.409 1.00 23.64 ? 282 PRO A O 1 ATOM 1904 C CB . PRO A 1 201 ? 83.404 94.709 41.650 1.00 17.74 ? 282 PRO A CB 1 ATOM 1905 C CG . PRO A 1 201 ? 82.227 94.446 42.553 1.00 17.12 ? 282 PRO A CG 1 ATOM 1906 C CD . PRO A 1 201 ? 82.830 94.581 43.954 1.00 17.63 ? 282 PRO A CD 1 ATOM 1907 N N . ARG A 1 202 ? 84.543 97.764 41.151 1.00 24.13 ? 283 ARG A N 1 ATOM 1908 C CA . ARG A 1 202 ? 84.343 99.089 40.614 1.00 26.27 ? 283 ARG A CA 1 ATOM 1909 C C . ARG A 1 202 ? 84.934 98.934 39.231 1.00 25.42 ? 283 ARG A C 1 ATOM 1910 O O . ARG A 1 202 ? 85.965 99.537 38.928 1.00 25.74 ? 283 ARG A O 1 ATOM 1911 C CB . ARG A 1 202 ? 85.141 100.062 41.458 1.00 28.70 ? 283 ARG A CB 1 ATOM 1912 C CG . ARG A 1 202 ? 84.336 101.243 41.893 1.00 32.72 ? 283 ARG A CG 1 ATOM 1913 C CD . ARG A 1 202 ? 85.314 102.257 42.420 1.00 35.77 ? 283 ARG A CD 1 ATOM 1914 N NE . ARG A 1 202 ? 85.836 103.012 41.300 1.00 39.50 ? 283 ARG A NE 1 ATOM 1915 C CZ . ARG A 1 202 ? 85.208 104.091 40.818 1.00 40.84 ? 283 ARG A CZ 1 ATOM 1916 N NH1 . ARG A 1 202 ? 84.118 104.560 41.413 1.00 42.23 ? 283 ARG A NH1 1 ATOM 1917 N NH2 . ARG A 1 202 ? 85.708 104.758 39.778 1.00 41.35 ? 283 ARG A NH2 1 ATOM 1918 H H . ARG A 1 202 ? 85.334 97.264 40.851 1.00 0.00 ? 283 ARG A H 1 ATOM 1919 H HE . ARG A 1 202 ? 86.705 102.763 40.933 1.00 0.00 ? 283 ARG A HE 1 ATOM 1920 H HH11 . ARG A 1 202 ? 83.760 104.114 42.233 1.00 0.00 ? 283 ARG A HH11 1 ATOM 1921 H HH12 . ARG A 1 202 ? 83.655 105.369 41.054 1.00 0.00 ? 283 ARG A HH12 1 ATOM 1922 H HH21 . ARG A 1 202 ? 86.558 104.454 39.349 1.00 0.00 ? 283 ARG A HH21 1 ATOM 1923 H HH22 . ARG A 1 202 ? 85.230 105.564 39.430 1.00 0.00 ? 283 ARG A HH22 1 ATOM 1924 N N . TYR A 1 203 ? 84.352 98.067 38.422 1.00 25.68 ? 284 TYR A N 1 ATOM 1925 C CA . TYR A 1 203 ? 84.816 97.759 37.090 1.00 27.94 ? 284 TYR A CA 1 ATOM 1926 C C . TYR A 1 203 ? 85.506 98.896 36.357 1.00 28.62 ? 284 TYR A C 1 ATOM 1927 O O . TYR A 1 203 ? 84.960 99.990 36.317 1.00 30.58 ? 284 TYR A O 1 ATOM 1928 C CB . TYR A 1 203 ? 83.642 97.268 36.256 1.00 29.70 ? 284 TYR A CB 1 ATOM 1929 C CG . TYR A 1 203 ? 84.119 96.641 34.960 1.00 32.19 ? 284 TYR A CG 1 ATOM 1930 C CD1 . TYR A 1 203 ? 84.701 95.382 34.967 1.00 33.29 ? 284 TYR A CD1 1 ATOM 1931 C CD2 . TYR A 1 203 ? 84.026 97.343 33.783 1.00 33.32 ? 284 TYR A CD2 1 ATOM 1932 C CE1 . TYR A 1 203 ? 85.192 94.806 33.817 1.00 33.86 ? 284 TYR A CE1 1 ATOM 1933 C CE2 . TYR A 1 203 ? 84.520 96.771 32.622 1.00 34.95 ? 284 TYR A CE2 1 ATOM 1934 C CZ . TYR A 1 203 ? 85.087 95.515 32.655 1.00 34.89 ? 284 TYR A CZ 1 ATOM 1935 O OH . TYR A 1 203 ? 85.502 94.945 31.477 1.00 37.27 ? 284 TYR A OH 1 ATOM 1936 H H . TYR A 1 203 ? 83.525 97.639 38.734 1.00 0.00 ? 284 TYR A H 1 ATOM 1937 H HH . TYR A 1 203 ? 85.232 94.022 31.485 1.00 0.00 ? 284 TYR A HH 1 ATOM 1938 N N . PRO A 1 204 ? 86.682 98.743 35.752 1.00 28.38 ? 285 PRO A N 1 ATOM 1939 C CA . PRO A 1 204 ? 87.455 97.523 35.724 1.00 27.52 ? 285 PRO A CA 1 ATOM 1940 C C . PRO A 1 204 ? 88.394 97.325 36.881 1.00 27.43 ? 285 PRO A C 1 ATOM 1941 O O . PRO A 1 204 ? 89.301 96.502 36.801 1.00 29.22 ? 285 PRO A O 1 ATOM 1942 C CB . PRO A 1 204 ? 88.132 97.605 34.400 1.00 27.26 ? 285 PRO A CB 1 ATOM 1943 C CG . PRO A 1 204 ? 88.509 99.039 34.373 1.00 27.79 ? 285 PRO A CG 1 ATOM 1944 C CD . PRO A 1 204 ? 87.194 99.672 34.762 1.00 27.44 ? 285 PRO A CD 1 ATOM 1945 N N . GLY A 1 205 ? 88.239 98.068 37.950 1.00 27.29 ? 286 GLY A N 1 ATOM 1946 C CA . GLY A 1 205 ? 89.133 97.901 39.068 1.00 26.55 ? 286 GLY A CA 1 ATOM 1947 C C . GLY A 1 205 ? 88.381 97.345 40.241 1.00 25.90 ? 286 GLY A C 1 ATOM 1948 O O . GLY A 1 205 ? 87.211 96.950 40.153 1.00 27.50 ? 286 GLY A O 1 ATOM 1949 H H . GLY A 1 205 ? 87.491 98.691 38.043 1.00 0.00 ? 286 GLY A H 1 ATOM 1950 N N . VAL A 1 206 ? 89.062 97.367 41.364 1.00 23.47 ? 287 VAL A N 1 ATOM 1951 C CA . VAL A 1 206 ? 88.528 96.889 42.616 1.00 21.46 ? 287 VAL A CA 1 ATOM 1952 C C . VAL A 1 206 ? 88.957 98.012 43.561 1.00 21.89 ? 287 VAL A C 1 ATOM 1953 O O . VAL A 1 206 ? 90.069 98.551 43.367 1.00 22.09 ? 287 VAL A O 1 ATOM 1954 C CB . VAL A 1 206 ? 89.214 95.526 42.961 1.00 19.93 ? 287 VAL A CB 1 ATOM 1955 C CG1 . VAL A 1 206 ? 88.867 95.099 44.366 1.00 17.35 ? 287 VAL A CG1 1 ATOM 1956 C CG2 . VAL A 1 206 ? 88.783 94.458 41.962 1.00 18.93 ? 287 VAL A CG2 1 ATOM 1957 H H . VAL A 1 206 ? 89.971 97.749 41.365 1.00 0.00 ? 287 VAL A H 1 ATOM 1958 N N . ARG A 1 207 ? 88.159 98.383 44.564 1.00 19.19 ? 288 ARG A N 1 ATOM 1959 C CA . ARG A 1 207 ? 88.568 99.420 45.458 1.00 19.17 ? 288 ARG A CA 1 ATOM 1960 C C . ARG A 1 207 ? 88.368 98.943 46.880 1.00 18.06 ? 288 ARG A C 1 ATOM 1961 O O . ARG A 1 207 ? 87.350 98.316 47.168 1.00 18.12 ? 288 ARG A O 1 ATOM 1962 C CB . ARG A 1 207 ? 87.739 100.662 45.101 1.00 22.06 ? 288 ARG A CB 1 ATOM 1963 C CG . ARG A 1 207 ? 87.744 101.782 46.169 1.00 24.83 ? 288 ARG A CG 1 ATOM 1964 C CD . ARG A 1 207 ? 88.298 103.102 45.706 1.00 27.49 ? 288 ARG A CD 1 ATOM 1965 N NE . ARG A 1 207 ? 87.306 103.855 44.982 1.00 29.70 ? 288 ARG A NE 1 ATOM 1966 C CZ . ARG A 1 207 ? 87.588 104.588 43.887 1.00 31.47 ? 288 ARG A CZ 1 ATOM 1967 N NH1 . ARG A 1 207 ? 88.799 104.660 43.352 1.00 29.91 ? 288 ARG A NH1 1 ATOM 1968 N NH2 . ARG A 1 207 ? 86.604 105.273 43.289 1.00 32.06 ? 288 ARG A NH2 1 ATOM 1969 H H . ARG A 1 207 ? 87.300 97.930 44.727 1.00 0.00 ? 288 ARG A H 1 ATOM 1970 H HE . ARG A 1 207 ? 86.382 103.831 45.307 1.00 0.00 ? 288 ARG A HE 1 ATOM 1971 H HH11 . ARG A 1 207 ? 89.560 104.179 43.785 1.00 0.00 ? 288 ARG A HH11 1 ATOM 1972 H HH12 . ARG A 1 207 ? 88.956 105.225 42.543 1.00 0.00 ? 288 ARG A HH12 1 ATOM 1973 H HH21 . ARG A 1 207 ? 85.673 105.217 43.649 1.00 0.00 ? 288 ARG A HH21 1 ATOM 1974 H HH22 . ARG A 1 207 ? 86.792 105.809 42.467 1.00 0.00 ? 288 ARG A HH22 1 ATOM 1975 N N . CYS A 1 208 ? 89.253 99.250 47.816 1.00 17.89 ? 289 CYS A N 1 ATOM 1976 C CA . CYS A 1 208 ? 89.088 98.792 49.184 1.00 18.89 ? 289 CYS A CA 1 ATOM 1977 C C . CYS A 1 208 ? 89.179 99.934 50.187 1.00 18.62 ? 289 CYS A C 1 ATOM 1978 O O . CYS A 1 208 ? 89.887 100.899 49.879 1.00 20.08 ? 289 CYS A O 1 ATOM 1979 C CB . CYS A 1 208 ? 90.182 97.755 49.528 1.00 19.84 ? 289 CYS A CB 1 ATOM 1980 S SG . CYS A 1 208 ? 90.426 96.393 48.345 1.00 21.51 ? 289 CYS A SG 1 ATOM 1981 H H . CYS A 1 208 ? 90.043 99.788 47.596 1.00 0.00 ? 289 CYS A H 1 ATOM 1982 N N . ILE A 1 209 ? 88.460 99.930 51.311 1.00 15.92 ? 290 ILE A N 1 ATOM 1983 C CA . ILE A 1 209 ? 88.545 100.975 52.336 1.00 15.23 ? 290 ILE A CA 1 ATOM 1984 C C . ILE A 1 209 ? 88.977 100.040 53.443 1.00 16.07 ? 290 ILE A C 1 ATOM 1985 O O . ILE A 1 209 ? 88.297 99.037 53.731 1.00 17.44 ? 290 ILE A O 1 ATOM 1986 C CB . ILE A 1 209 ? 87.180 101.651 52.626 1.00 12.73 ? 290 ILE A CB 1 ATOM 1987 C CG1 . ILE A 1 209 ? 87.076 102.856 51.729 1.00 11.04 ? 290 ILE A CG1 1 ATOM 1988 C CG2 . ILE A 1 209 ? 87.060 102.135 54.079 1.00 10.30 ? 290 ILE A CG2 1 ATOM 1989 C CD1 . ILE A 1 209 ? 86.971 102.602 50.207 1.00 11.10 ? 290 ILE A CD1 1 ATOM 1990 H H . ILE A 1 209 ? 87.851 99.181 51.490 1.00 0.00 ? 290 ILE A H 1 ATOM 1991 N N . CYS A 1 210 ? 90.148 100.345 53.998 1.00 16.69 ? 291 CYS A N 1 ATOM 1992 C CA . CYS A 1 210 ? 90.720 99.442 54.975 1.00 15.95 ? 291 CYS A CA 1 ATOM 1993 C C . CYS A 1 210 ? 90.857 100.080 56.307 1.00 16.62 ? 291 CYS A C 1 ATOM 1994 O O . CYS A 1 210 ? 90.261 101.127 56.503 1.00 14.81 ? 291 CYS A O 1 ATOM 1995 C CB . CYS A 1 210 ? 92.040 98.967 54.418 1.00 13.97 ? 291 CYS A CB 1 ATOM 1996 S SG . CYS A 1 210 ? 91.910 98.610 52.626 1.00 18.77 ? 291 CYS A SG 1 ATOM 1997 H H . CYS A 1 210 ? 90.548 101.224 53.831 1.00 0.00 ? 291 CYS A H 1 ATOM 1998 N N . ARG A 1 211 ? 91.634 99.516 57.222 1.00 17.92 ? 292 ARG A N 1 ATOM 1999 C CA . ARG A 1 211 ? 91.796 100.023 58.563 1.00 18.61 ? 292 ARG A CA 1 ATOM 2000 C C . ARG A 1 211 ? 93.238 100.445 58.773 1.00 21.17 ? 292 ARG A C 1 ATOM 2001 O O . ARG A 1 211 ? 94.132 99.712 58.349 1.00 21.50 ? 292 ARG A O 1 ATOM 2002 C CB . ARG A 1 211 ? 91.474 98.931 59.561 1.00 16.33 ? 292 ARG A CB 1 ATOM 2003 C CG . ARG A 1 211 ? 92.077 98.824 60.920 1.00 17.71 ? 292 ARG A CG 1 ATOM 2004 C CD . ARG A 1 211 ? 91.665 97.598 61.683 1.00 18.27 ? 292 ARG A CD 1 ATOM 2005 N NE . ARG A 1 211 ? 92.126 97.646 63.033 1.00 17.92 ? 292 ARG A NE 1 ATOM 2006 C CZ . ARG A 1 211 ? 91.610 96.852 63.985 1.00 20.21 ? 292 ARG A CZ 1 ATOM 2007 N NH1 . ARG A 1 211 ? 90.712 95.905 63.751 1.00 20.10 ? 292 ARG A NH1 1 ATOM 2008 N NH2 . ARG A 1 211 ? 92.043 96.958 65.240 1.00 20.02 ? 292 ARG A NH2 1 ATOM 2009 H H . ARG A 1 211 ? 92.139 98.710 56.997 1.00 0.00 ? 292 ARG A H 1 ATOM 2010 H HE . ARG A 1 211 ? 92.850 98.259 63.270 1.00 0.00 ? 292 ARG A HE 1 ATOM 2011 H HH11 . ARG A 1 211 ? 90.413 95.715 62.819 1.00 0.00 ? 292 ARG A HH11 1 ATOM 2012 H HH12 . ARG A 1 211 ? 90.371 95.351 64.510 1.00 0.00 ? 292 ARG A HH12 1 ATOM 2013 H HH21 . ARG A 1 211 ? 92.761 97.610 65.476 1.00 0.00 ? 292 ARG A HH21 1 ATOM 2014 H HH22 . ARG A 1 211 ? 91.656 96.366 65.948 1.00 0.00 ? 292 ARG A HH22 1 ATOM 2015 N N . ASP A 1 212 ? 93.481 101.631 59.337 1.00 23.10 ? 293 ASP A N 1 ATOM 2016 C CA . ASP A 1 212 ? 94.822 102.071 59.651 1.00 21.87 ? 293 ASP A CA 1 ATOM 2017 C C . ASP A 1 212 ? 94.791 102.082 61.186 1.00 23.45 ? 293 ASP A C 1 ATOM 2018 O O . ASP A 1 212 ? 94.115 102.817 62.021 1.00 22.08 ? 293 ASP A O 1 ATOM 2019 C CB . ASP A 1 212 ? 95.150 103.452 59.131 1.00 22.26 ? 293 ASP A CB 1 ATOM 2020 C CG . ASP A 1 212 ? 96.559 103.988 59.458 1.00 22.86 ? 293 ASP A CG 1 ATOM 2021 O OD1 . ASP A 1 212 ? 97.041 103.844 60.588 1.00 22.21 ? 293 ASP A OD1 1 ATOM 2022 O OD2 . ASP A 1 212 ? 97.178 104.607 58.596 1.00 22.30 ? 293 ASP A OD2 1 ATOM 2023 H H . ASP A 1 212 ? 92.710 102.210 59.508 1.00 0.00 ? 293 ASP A H 1 ATOM 2024 N N . ASN A 1 213 ? 95.737 101.172 61.443 1.00 24.52 ? 294 ASN A N 1 ATOM 2025 C CA . ASN A 1 213 ? 96.077 100.812 62.809 1.00 25.70 ? 294 ASN A CA 1 ATOM 2026 C C . ASN A 1 213 ? 97.227 101.512 63.499 1.00 25.05 ? 294 ASN A C 1 ATOM 2027 O O . ASN A 1 213 ? 97.374 101.453 64.717 1.00 22.66 ? 294 ASN A O 1 ATOM 2028 C CB . ASN A 1 213 ? 96.321 99.324 62.835 1.00 27.19 ? 294 ASN A CB 1 ATOM 2029 C CG . ASN A 1 213 ? 95.700 98.741 64.076 1.00 28.33 ? 294 ASN A CG 1 ATOM 2030 O OD1 . ASN A 1 213 ? 94.478 98.726 64.146 1.00 28.28 ? 294 ASN A OD1 1 ATOM 2031 N ND2 . ASN A 1 213 ? 96.440 98.366 65.113 1.00 30.56 ? 294 ASN A ND2 1 ATOM 2032 H H . ASN A 1 213 ? 96.083 100.627 60.705 1.00 0.00 ? 294 ASN A H 1 ATOM 2033 H HD21 . ASN A 1 213 ? 95.985 97.890 65.836 1.00 0.00 ? 294 ASN A HD21 1 ATOM 2034 H HD22 . ASN A 1 213 ? 97.404 98.552 65.118 1.00 0.00 ? 294 ASN A HD22 1 ATOM 2035 N N . TRP A 1 214 ? 98.016 102.230 62.712 1.00 26.87 ? 295 TRP A N 1 ATOM 2036 C CA . TRP A 1 214 ? 99.187 102.943 63.209 1.00 28.68 ? 295 TRP A CA 1 ATOM 2037 C C . TRP A 1 214 ? 98.908 104.425 63.423 1.00 30.68 ? 295 TRP A C 1 ATOM 2038 O O . TRP A 1 214 ? 98.704 104.867 64.555 1.00 29.88 ? 295 TRP A O 1 ATOM 2039 C CB . TRP A 1 214 ? 100.304 102.713 62.180 1.00 27.67 ? 295 TRP A CB 1 ATOM 2040 C CG . TRP A 1 214 ? 101.731 103.234 62.445 1.00 27.87 ? 295 TRP A CG 1 ATOM 2041 C CD1 . TRP A 1 214 ? 102.246 103.496 63.697 1.00 26.36 ? 295 TRP A CD1 1 ATOM 2042 C CD2 . TRP A 1 214 ? 102.665 103.449 61.447 1.00 27.17 ? 295 TRP A CD2 1 ATOM 2043 N NE1 . TRP A 1 214 ? 103.491 103.861 63.476 1.00 26.57 ? 295 TRP A NE1 1 ATOM 2044 C CE2 . TRP A 1 214 ? 103.778 103.843 62.163 1.00 26.82 ? 295 TRP A CE2 1 ATOM 2045 C CE3 . TRP A 1 214 ? 102.676 103.350 60.070 1.00 26.84 ? 295 TRP A CE3 1 ATOM 2046 C CZ2 . TRP A 1 214 ? 104.941 104.148 61.503 1.00 27.14 ? 295 TRP A CZ2 1 ATOM 2047 C CZ3 . TRP A 1 214 ? 103.834 103.654 59.411 1.00 27.48 ? 295 TRP A CZ3 1 ATOM 2048 C CH2 . TRP A 1 214 ? 104.951 104.045 60.122 1.00 28.04 ? 295 TRP A CH2 1 ATOM 2049 H H . TRP A 1 214 ? 97.842 102.226 61.752 1.00 0.00 ? 295 TRP A H 1 ATOM 2050 H HE1 . TRP A 1 214 ? 104.129 104.129 64.177 1.00 0.00 ? 295 TRP A HE1 1 ATOM 2051 N N . LYS A 1 215 ? 98.834 105.202 62.332 1.00 32.36 ? 296 LYS A N 1 ATOM 2052 C CA . LYS A 1 215 ? 98.614 106.641 62.428 1.00 34.52 ? 296 LYS A CA 1 ATOM 2053 C C . LYS A 1 215 ? 97.259 107.235 62.050 1.00 33.14 ? 296 LYS A C 1 ATOM 2054 O O . LYS A 1 215 ? 97.146 108.446 61.880 1.00 31.29 ? 296 LYS A O 1 ATOM 2055 C CB . LYS A 1 215 ? 99.694 107.304 61.592 1.00 36.32 ? 296 LYS A CB 1 ATOM 2056 C CG . LYS A 1 215 ? 101.121 107.199 62.107 1.00 38.83 ? 296 LYS A CG 1 ATOM 2057 C CD . LYS A 1 215 ? 101.939 107.270 60.831 1.00 40.84 ? 296 LYS A CD 1 ATOM 2058 C CE . LYS A 1 215 ? 103.336 107.708 61.152 1.00 42.32 ? 296 LYS A CE 1 ATOM 2059 N NZ . LYS A 1 215 ? 103.986 107.959 59.879 1.00 44.97 ? 296 LYS A NZ 1 ATOM 2060 H H . LYS A 1 215 ? 99.056 104.839 61.454 1.00 0.00 ? 296 LYS A H 1 ATOM 2061 H HZ1 . LYS A 1 215 ? 103.926 107.101 59.293 1.00 0.00 ? 296 LYS A HZ1 1 ATOM 2062 H HZ2 . LYS A 1 215 ? 103.522 108.754 59.396 1.00 0.00 ? 296 LYS A HZ2 1 ATOM 2063 H HZ3 . LYS A 1 215 ? 104.985 108.190 60.060 1.00 0.00 ? 296 LYS A HZ3 1 ATOM 2064 N N . GLY A 1 216 ? 96.187 106.443 61.969 1.00 32.90 ? 297 GLY A N 1 ATOM 2065 C CA . GLY A 1 216 ? 94.900 107.003 61.571 1.00 32.10 ? 297 GLY A CA 1 ATOM 2066 C C . GLY A 1 216 ? 93.591 106.405 62.099 1.00 31.27 ? 297 GLY A C 1 ATOM 2067 O O . GLY A 1 216 ? 93.379 105.233 62.636 1.00 32.54 ? 297 GLY A O 1 ATOM 2068 H H . GLY A 1 216 ? 96.306 105.491 62.121 1.00 0.00 ? 297 GLY A H 1 ATOM 2069 N N . SER A 1 217 ? 92.842 107.502 61.946 1.00 29.55 ? 298 SER A N 1 ATOM 2070 C CA . SER A 1 217 ? 91.427 107.647 62.208 1.00 27.00 ? 298 SER A CA 1 ATOM 2071 C C . SER A 1 217 ? 90.856 107.807 60.827 1.00 24.92 ? 298 SER A C 1 ATOM 2072 O O . SER A 1 217 ? 89.703 107.438 60.680 1.00 25.60 ? 298 SER A O 1 ATOM 2073 C CB . SER A 1 217 ? 91.133 108.858 63.023 1.00 28.29 ? 298 SER A CB 1 ATOM 2074 O OG . SER A 1 217 ? 91.544 108.426 64.296 1.00 31.25 ? 298 SER A OG 1 ATOM 2075 H H . SER A 1 217 ? 93.268 108.356 61.699 1.00 0.00 ? 298 SER A H 1 ATOM 2076 H HG . SER A 1 217 ? 91.688 109.187 64.869 1.00 0.00 ? 298 SER A HG 1 ATOM 2077 N N . ASN A 1 218 ? 91.499 108.358 59.803 1.00 23.04 ? 299 ASN A N 1 ATOM 2078 C CA . ASN A 1 218 ? 90.858 108.365 58.511 1.00 23.29 ? 299 ASN A CA 1 ATOM 2079 C C . ASN A 1 218 ? 91.177 106.962 57.965 1.00 25.11 ? 299 ASN A C 1 ATOM 2080 O O . ASN A 1 218 ? 92.116 106.283 58.436 1.00 27.51 ? 299 ASN A O 1 ATOM 2081 C CB . ASN A 1 218 ? 91.384 109.482 57.574 1.00 23.52 ? 299 ASN A CB 1 ATOM 2082 C CG . ASN A 1 218 ? 92.874 109.839 57.528 1.00 24.28 ? 299 ASN A CG 1 ATOM 2083 O OD1 . ASN A 1 218 ? 93.592 109.749 58.529 1.00 23.64 ? 299 ASN A OD1 1 ATOM 2084 N ND2 . ASN A 1 218 ? 93.398 110.283 56.379 1.00 22.74 ? 299 ASN A ND2 1 ATOM 2085 H H . ASN A 1 218 ? 92.427 108.658 59.894 1.00 0.00 ? 299 ASN A H 1 ATOM 2086 H HD21 . ASN A 1 218 ? 94.336 110.575 56.389 1.00 0.00 ? 299 ASN A HD21 1 ATOM 2087 H HD22 . ASN A 1 218 ? 92.837 110.298 55.577 1.00 0.00 ? 299 ASN A HD22 1 ATOM 2088 N N . ARG A 1 219 ? 90.381 106.470 57.004 1.00 23.86 ? 300 ARG A N 1 ATOM 2089 C CA . ARG A 1 219 ? 90.535 105.139 56.460 1.00 20.15 ? 300 ARG A CA 1 ATOM 2090 C C . ARG A 1 219 ? 91.312 105.116 55.174 1.00 19.07 ? 300 ARG A C 1 ATOM 2091 O O . ARG A 1 219 ? 91.032 105.914 54.274 1.00 20.67 ? 300 ARG A O 1 ATOM 2092 C CB . ARG A 1 219 ? 89.126 104.480 56.237 1.00 20.25 ? 300 ARG A CB 1 ATOM 2093 C CG . ARG A 1 219 ? 88.216 104.441 57.481 1.00 20.16 ? 300 ARG A CG 1 ATOM 2094 C CD . ARG A 1 219 ? 86.994 103.485 57.444 1.00 20.47 ? 300 ARG A CD 1 ATOM 2095 N NE . ARG A 1 219 ? 87.516 102.226 57.835 1.00 19.33 ? 300 ARG A NE 1 ATOM 2096 C CZ . ARG A 1 219 ? 87.425 101.722 59.052 1.00 19.63 ? 300 ARG A CZ 1 ATOM 2097 N NH1 . ARG A 1 219 ? 86.677 102.191 60.026 1.00 18.30 ? 300 ARG A NH1 1 ATOM 2098 N NH2 . ARG A 1 219 ? 88.035 100.574 59.237 1.00 21.46 ? 300 ARG A NH2 1 ATOM 2099 H H . ARG A 1 219 ? 89.636 107.029 56.697 1.00 0.00 ? 300 ARG A H 1 ATOM 2100 H HE . ARG A 1 219 ? 87.979 101.689 57.158 1.00 0.00 ? 300 ARG A HE 1 ATOM 2101 H HH11 . ARG A 1 219 ? 86.109 102.998 59.866 1.00 0.00 ? 300 ARG A HH11 1 ATOM 2102 H HH12 . ARG A 1 219 ? 86.671 101.744 60.920 1.00 0.00 ? 300 ARG A HH12 1 ATOM 2103 H HH21 . ARG A 1 219 ? 88.538 100.136 58.492 1.00 0.00 ? 300 ARG A HH21 1 ATOM 2104 H HH22 . ARG A 1 219 ? 88.027 100.175 60.138 1.00 0.00 ? 300 ARG A HH22 1 ATOM 2105 N N . PRO A 1 220 ? 92.306 104.223 55.054 1.00 17.19 ? 301 PRO A N 1 ATOM 2106 C CA . PRO A 1 220 ? 93.075 103.978 53.863 1.00 15.99 ? 301 PRO A CA 1 ATOM 2107 C C . PRO A 1 220 ? 92.232 103.634 52.694 1.00 17.19 ? 301 PRO A C 1 ATOM 2108 O O . PRO A 1 220 ? 91.152 103.113 52.894 1.00 20.78 ? 301 PRO A O 1 ATOM 2109 C CB . PRO A 1 220 ? 93.976 102.850 54.217 1.00 16.54 ? 301 PRO A CB 1 ATOM 2110 C CG . PRO A 1 220 ? 94.165 102.915 55.692 1.00 16.16 ? 301 PRO A CG 1 ATOM 2111 C CD . PRO A 1 220 ? 92.818 103.412 56.158 1.00 16.71 ? 301 PRO A CD 1 ATOM 2112 N N . VAL A 1 221 ? 92.666 103.822 51.478 1.00 18.14 ? 302 VAL A N 1 ATOM 2113 C CA . VAL A 1 221 ? 91.901 103.450 50.296 1.00 17.72 ? 302 VAL A CA 1 ATOM 2114 C C . VAL A 1 221 ? 92.920 102.627 49.497 1.00 20.95 ? 302 VAL A C 1 ATOM 2115 O O . VAL A 1 221 ? 94.079 103.049 49.439 1.00 22.31 ? 302 VAL A O 1 ATOM 2116 C CB . VAL A 1 221 ? 91.516 104.671 49.508 1.00 16.10 ? 302 VAL A CB 1 ATOM 2117 C CG1 . VAL A 1 221 ? 90.996 104.337 48.104 1.00 15.00 ? 302 VAL A CG1 1 ATOM 2118 C CG2 . VAL A 1 221 ? 90.539 105.394 50.388 1.00 15.69 ? 302 VAL A CG2 1 ATOM 2119 H H . VAL A 1 221 ? 93.568 104.183 51.346 1.00 0.00 ? 302 VAL A H 1 ATOM 2120 N N . VAL A 1 222 ? 92.643 101.484 48.869 1.00 21.50 ? 303 VAL A N 1 ATOM 2121 C CA . VAL A 1 222 ? 93.633 100.736 48.120 1.00 21.18 ? 303 VAL A CA 1 ATOM 2122 C C . VAL A 1 222 ? 92.977 100.540 46.785 1.00 21.58 ? 303 VAL A C 1 ATOM 2123 O O . VAL A 1 222 ? 91.852 100.054 46.776 1.00 23.02 ? 303 VAL A O 1 ATOM 2124 C CB . VAL A 1 222 ? 93.904 99.379 48.804 1.00 21.24 ? 303 VAL A CB 1 ATOM 2125 C CG1 . VAL A 1 222 ? 94.875 98.605 47.950 1.00 20.32 ? 303 VAL A CG1 1 ATOM 2126 C CG2 . VAL A 1 222 ? 94.502 99.551 50.205 1.00 20.59 ? 303 VAL A CG2 1 ATOM 2127 H H . VAL A 1 222 ? 91.714 101.164 48.883 1.00 0.00 ? 303 VAL A H 1 ATOM 2128 N N . ASP A 1 223 ? 93.581 100.912 45.683 1.00 22.58 ? 304 ASP A N 1 ATOM 2129 C CA . ASP A 1 223 ? 93.013 100.769 44.373 1.00 25.27 ? 304 ASP A CA 1 ATOM 2130 C C . ASP A 1 223 ? 93.831 99.775 43.594 1.00 26.31 ? 304 ASP A C 1 ATOM 2131 O O . ASP A 1 223 ? 95.044 99.971 43.444 1.00 26.68 ? 304 ASP A O 1 ATOM 2132 C CB . ASP A 1 223 ? 93.009 102.109 43.662 1.00 29.85 ? 304 ASP A CB 1 ATOM 2133 C CG . ASP A 1 223 ? 91.714 102.862 43.958 1.00 34.09 ? 304 ASP A CG 1 ATOM 2134 O OD1 . ASP A 1 223 ? 90.668 102.456 43.437 1.00 35.97 ? 304 ASP A OD1 1 ATOM 2135 O OD2 . ASP A 1 223 ? 91.738 103.827 44.730 1.00 36.59 ? 304 ASP A OD2 1 ATOM 2136 H H . ASP A 1 223 ? 94.496 101.245 45.748 1.00 0.00 ? 304 ASP A H 1 ATOM 2137 N N . ILE A 1 224 ? 93.161 98.751 43.060 1.00 25.63 ? 305 ILE A N 1 ATOM 2138 C CA . ILE A 1 224 ? 93.776 97.656 42.327 1.00 23.67 ? 305 ILE A CA 1 ATOM 2139 C C . ILE A 1 224 ? 93.394 97.717 40.880 1.00 25.26 ? 305 ILE A C 1 ATOM 2140 O O . ILE A 1 224 ? 92.207 97.791 40.548 1.00 25.26 ? 305 ILE A O 1 ATOM 2141 C CB . ILE A 1 224 ? 93.295 96.378 43.003 1.00 22.42 ? 305 ILE A CB 1 ATOM 2142 C CG1 . ILE A 1 224 ? 93.892 96.361 44.375 1.00 21.20 ? 305 ILE A CG1 1 ATOM 2143 C CG2 . ILE A 1 224 ? 93.656 95.133 42.219 1.00 23.35 ? 305 ILE A CG2 1 ATOM 2144 C CD1 . ILE A 1 224 ? 92.875 96.147 45.511 1.00 22.27 ? 305 ILE A CD1 1 ATOM 2145 H H . ILE A 1 224 ? 92.179 98.780 43.091 1.00 0.00 ? 305 ILE A H 1 ATOM 2146 N N . ASN A 1 225 ? 94.382 97.664 40.007 1.00 27.85 ? 306 ASN A N 1 ATOM 2147 C CA . ASN A 1 225 ? 94.148 97.713 38.570 1.00 31.86 ? 306 ASN A CA 1 ATOM 2148 C C . ASN A 1 225 ? 94.221 96.259 38.166 1.00 34.18 ? 306 ASN A C 1 ATOM 2149 O O . ASN A 1 225 ? 95.317 95.684 38.084 1.00 34.27 ? 306 ASN A O 1 ATOM 2150 C CB . ASN A 1 225 ? 95.245 98.501 37.846 1.00 32.96 ? 306 ASN A CB 1 ATOM 2151 C CG . ASN A 1 225 ? 95.072 98.571 36.333 1.00 35.05 ? 306 ASN A CG 1 ATOM 2152 O OD1 . ASN A 1 225 ? 94.784 97.583 35.656 1.00 36.89 ? 306 ASN A OD1 1 ATOM 2153 N ND2 . ASN A 1 225 ? 95.247 99.706 35.673 1.00 35.70 ? 306 ASN A ND2 1 ATOM 2154 H H . ASN A 1 225 ? 95.305 97.630 40.337 1.00 0.00 ? 306 ASN A H 1 ATOM 2155 H HD21 . ASN A 1 225 ? 95.122 99.703 34.703 1.00 0.00 ? 306 ASN A HD21 1 ATOM 2156 H HD22 . ASN A 1 225 ? 95.487 100.499 36.195 1.00 0.00 ? 306 ASN A HD22 1 ATOM 2157 N N . MET A 1 226 ? 93.075 95.667 37.840 1.00 36.02 ? 307 MET A N 1 ATOM 2158 C CA . MET A 1 226 ? 93.097 94.265 37.498 1.00 37.60 ? 307 MET A CA 1 ATOM 2159 C C . MET A 1 226 ? 93.841 93.995 36.223 1.00 40.17 ? 307 MET A C 1 ATOM 2160 O O . MET A 1 226 ? 94.301 92.866 36.067 1.00 41.74 ? 307 MET A O 1 ATOM 2161 C CB . MET A 1 226 ? 91.694 93.666 37.349 1.00 36.82 ? 307 MET A CB 1 ATOM 2162 C CG . MET A 1 226 ? 90.754 93.726 38.512 1.00 35.44 ? 307 MET A CG 1 ATOM 2163 S SD . MET A 1 226 ? 91.518 93.111 40.019 1.00 36.29 ? 307 MET A SD 1 ATOM 2164 C CE . MET A 1 226 ? 91.264 91.377 39.789 1.00 35.58 ? 307 MET A CE 1 ATOM 2165 H H . MET A 1 226 ? 92.232 96.165 37.865 1.00 0.00 ? 307 MET A H 1 ATOM 2166 N N . GLU A 1 227 ? 94.005 94.962 35.321 1.00 43.04 ? 308 GLU A N 1 ATOM 2167 C CA . GLU A 1 227 ? 94.746 94.721 34.085 1.00 46.48 ? 308 GLU A CA 1 ATOM 2168 C C . GLU A 1 227 ? 96.283 94.798 34.225 1.00 46.30 ? 308 GLU A C 1 ATOM 2169 O O . GLU A 1 227 ? 97.005 93.975 33.658 1.00 45.42 ? 308 GLU A O 1 ATOM 2170 C CB . GLU A 1 227 ? 94.259 95.723 33.045 1.00 49.43 ? 308 GLU A CB 1 ATOM 2171 C CG . GLU A 1 227 ? 92.789 95.468 32.725 1.00 53.55 ? 308 GLU A CG 1 ATOM 2172 C CD . GLU A 1 227 ? 92.039 96.679 32.159 1.00 56.26 ? 308 GLU A CD 1 ATOM 2173 O OE1 . GLU A 1 227 ? 91.732 97.593 32.945 1.00 57.41 ? 308 GLU A OE1 1 ATOM 2174 O OE2 . GLU A 1 227 ? 91.752 96.695 30.949 1.00 56.90 ? 308 GLU A OE2 1 ATOM 2175 H H . GLU A 1 227 ? 93.665 95.857 35.512 1.00 0.00 ? 308 GLU A H 1 ATOM 2176 N N . ASP A 1 228 ? 96.854 95.752 34.967 1.00 46.80 ? 309 ASP A N 1 ATOM 2177 C CA . ASP A 1 228 ? 98.304 95.845 35.102 1.00 46.73 ? 309 ASP A CA 1 ATOM 2178 C C . ASP A 1 228 ? 98.777 95.314 36.433 1.00 45.49 ? 309 ASP A C 1 ATOM 2179 O O . ASP A 1 228 ? 99.979 95.198 36.632 1.00 46.18 ? 309 ASP A O 1 ATOM 2180 C CB . ASP A 1 228 ? 98.906 97.238 35.141 1.00 48.74 ? 309 ASP A CB 1 ATOM 2181 C CG . ASP A 1 228 ? 98.352 98.368 34.313 1.00 50.87 ? 309 ASP A CG 1 ATOM 2182 O OD1 . ASP A 1 228 ? 98.126 98.174 33.123 1.00 53.86 ? 309 ASP A OD1 1 ATOM 2183 O OD2 . ASP A 1 228 ? 98.189 99.463 34.849 1.00 51.51 ? 309 ASP A OD2 1 ATOM 2184 H H . ASP A 1 228 ? 96.277 96.394 35.422 1.00 0.00 ? 309 ASP A H 1 ATOM 2185 N N . TYR A 1 229 ? 97.903 95.032 37.388 1.00 43.43 ? 310 TYR A N 1 ATOM 2186 C CA . TYR A 1 229 ? 98.254 94.563 38.728 1.00 42.69 ? 310 TYR A CA 1 ATOM 2187 C C . TYR A 1 229 ? 98.887 95.687 39.538 1.00 40.88 ? 310 TYR A C 1 ATOM 2188 O O . TYR A 1 229 ? 99.527 95.463 40.576 1.00 40.11 ? 310 TYR A O 1 ATOM 2189 C CB . TYR A 1 229 ? 99.241 93.360 38.747 1.00 44.26 ? 310 TYR A CB 1 ATOM 2190 C CG . TYR A 1 229 ? 98.742 92.166 37.951 1.00 45.42 ? 310 TYR A CG 1 ATOM 2191 C CD1 . TYR A 1 229 ? 97.489 91.648 38.173 1.00 45.65 ? 310 TYR A CD1 1 ATOM 2192 C CD2 . TYR A 1 229 ? 99.553 91.611 36.997 1.00 45.75 ? 310 TYR A CD2 1 ATOM 2193 C CE1 . TYR A 1 229 ? 97.038 90.576 37.453 1.00 46.20 ? 310 TYR A CE1 1 ATOM 2194 C CE2 . TYR A 1 229 ? 99.111 90.535 36.271 1.00 46.89 ? 310 TYR A CE2 1 ATOM 2195 C CZ . TYR A 1 229 ? 97.860 90.024 36.508 1.00 46.48 ? 310 TYR A CZ 1 ATOM 2196 O OH . TYR A 1 229 ? 97.443 88.918 35.802 1.00 47.16 ? 310 TYR A OH 1 ATOM 2197 H H . TYR A 1 229 ? 96.955 95.112 37.168 1.00 0.00 ? 310 TYR A H 1 ATOM 2198 H HH . TYR A 1 229 ? 96.512 88.761 35.983 1.00 0.00 ? 310 TYR A HH 1 ATOM 2199 N N . SER A 1 230 ? 98.657 96.915 39.058 1.00 39.00 ? 311 SER A N 1 ATOM 2200 C CA . SER A 1 230 ? 99.135 98.138 39.683 1.00 36.57 ? 311 SER A CA 1 ATOM 2201 C C . SER A 1 230 ? 98.254 98.484 40.871 1.00 34.57 ? 311 SER A C 1 ATOM 2202 O O . SER A 1 230 ? 97.036 98.340 40.840 1.00 33.89 ? 311 SER A O 1 ATOM 2203 C CB . SER A 1 230 ? 99.103 99.288 38.668 1.00 37.54 ? 311 SER A CB 1 ATOM 2204 O OG . SER A 1 230 ? 98.500 98.987 37.407 1.00 35.89 ? 311 SER A OG 1 ATOM 2205 H H . SER A 1 230 ? 98.159 97.036 38.228 1.00 0.00 ? 311 SER A H 1 ATOM 2206 H HG . SER A 1 230 ? 98.455 99.831 36.945 1.00 0.00 ? 311 SER A HG 1 ATOM 2207 N N . ILE A 1 231 ? 98.887 98.919 41.937 1.00 33.31 ? 312 ILE A N 1 ATOM 2208 C CA . ILE A 1 231 ? 98.251 99.287 43.182 1.00 31.25 ? 312 ILE A CA 1 ATOM 2209 C C . ILE A 1 231 ? 98.433 100.791 43.322 1.00 31.57 ? 312 ILE A C 1 ATOM 2210 O O . ILE A 1 231 ? 99.331 101.372 42.709 1.00 31.80 ? 312 ILE A O 1 ATOM 2211 C CB . ILE A 1 231 ? 98.961 98.532 44.316 1.00 30.71 ? 312 ILE A CB 1 ATOM 2212 C CG1 . ILE A 1 231 ? 98.954 97.026 44.019 1.00 31.69 ? 312 ILE A CG1 1 ATOM 2213 C CG2 . ILE A 1 231 ? 98.308 98.827 45.640 1.00 30.94 ? 312 ILE A CG2 1 ATOM 2214 C CD1 . ILE A 1 231 ? 97.630 96.335 43.643 1.00 32.00 ? 312 ILE A CD1 1 ATOM 2215 H H . ILE A 1 231 ? 99.850 99.087 41.882 1.00 0.00 ? 312 ILE A H 1 ATOM 2216 N N . ASP A 1 232 ? 97.555 101.430 44.081 1.00 30.75 ? 313 ASP A N 1 ATOM 2217 C CA . ASP A 1 232 ? 97.578 102.841 44.392 1.00 28.94 ? 313 ASP A CA 1 ATOM 2218 C C . ASP A 1 232 ? 96.924 102.930 45.760 1.00 27.63 ? 313 ASP A C 1 ATOM 2219 O O . ASP A 1 232 ? 96.122 102.062 46.094 1.00 28.74 ? 313 ASP A O 1 ATOM 2220 C CB . ASP A 1 232 ? 96.772 103.637 43.375 1.00 31.68 ? 313 ASP A CB 1 ATOM 2221 C CG . ASP A 1 232 ? 96.755 105.170 43.569 1.00 33.71 ? 313 ASP A CG 1 ATOM 2222 O OD1 . ASP A 1 232 ? 97.544 105.699 44.365 1.00 34.79 ? 313 ASP A OD1 1 ATOM 2223 O OD2 . ASP A 1 232 ? 95.932 105.835 42.924 1.00 33.47 ? 313 ASP A OD2 1 ATOM 2224 H H . ASP A 1 232 ? 96.808 100.909 44.450 1.00 0.00 ? 313 ASP A H 1 ATOM 2225 N N . SER A 1 233 ? 97.249 103.841 46.651 1.00 26.37 ? 314 SER A N 1 ATOM 2226 C CA . SER A 1 233 ? 96.542 103.910 47.921 1.00 26.02 ? 314 SER A CA 1 ATOM 2227 C C . SER A 1 233 ? 96.443 105.388 48.297 1.00 25.31 ? 314 SER A C 1 ATOM 2228 O O . SER A 1 233 ? 97.295 106.175 47.831 1.00 25.79 ? 314 SER A O 1 ATOM 2229 C CB . SER A 1 233 ? 97.259 103.096 49.012 1.00 24.90 ? 314 SER A CB 1 ATOM 2230 O OG . SER A 1 233 ? 98.584 103.452 49.378 1.00 25.87 ? 314 SER A OG 1 ATOM 2231 H H . SER A 1 233 ? 97.931 104.514 46.465 1.00 0.00 ? 314 SER A H 1 ATOM 2232 H HG . SER A 1 233 ? 99.144 102.832 48.890 1.00 0.00 ? 314 SER A HG 1 ATOM 2233 N N . SER A 1 234 ? 95.442 105.767 49.115 1.00 23.00 ? 315 SER A N 1 ATOM 2234 C CA . SER A 1 234 ? 95.136 107.139 49.533 1.00 21.84 ? 315 SER A CA 1 ATOM 2235 C C . SER A 1 234 ? 94.455 106.996 50.855 1.00 22.20 ? 315 SER A C 1 ATOM 2236 O O . SER A 1 234 ? 94.600 105.948 51.507 1.00 23.38 ? 315 SER A O 1 ATOM 2237 C CB . SER A 1 234 ? 94.111 107.811 48.612 1.00 20.61 ? 315 SER A CB 1 ATOM 2238 O OG . SER A 1 234 ? 94.054 107.323 47.264 1.00 23.92 ? 315 SER A OG 1 ATOM 2239 H H . SER A 1 234 ? 94.856 105.058 49.465 1.00 0.00 ? 315 SER A H 1 ATOM 2240 H HG . SER A 1 234 ? 94.813 107.663 46.782 1.00 0.00 ? 315 SER A HG 1 ATOM 2241 N N . TYR A 1 235 ? 93.785 108.063 51.302 1.00 22.28 ? 316 TYR A N 1 ATOM 2242 C CA . TYR A 1 235 ? 92.966 108.047 52.508 1.00 22.94 ? 316 TYR A CA 1 ATOM 2243 C C . TYR A 1 235 ? 91.616 108.619 52.048 1.00 24.07 ? 316 TYR A C 1 ATOM 2244 O O . TYR A 1 235 ? 91.544 109.285 50.994 1.00 24.68 ? 316 TYR A O 1 ATOM 2245 C CB . TYR A 1 235 ? 93.562 108.874 53.553 1.00 21.31 ? 316 TYR A CB 1 ATOM 2246 C CG . TYR A 1 235 ? 94.602 108.042 54.250 1.00 19.46 ? 316 TYR A CG 1 ATOM 2247 C CD1 . TYR A 1 235 ? 95.866 107.907 53.703 1.00 19.79 ? 316 TYR A CD1 1 ATOM 2248 C CD2 . TYR A 1 235 ? 94.279 107.453 55.443 1.00 19.27 ? 316 TYR A CD2 1 ATOM 2249 C CE1 . TYR A 1 235 ? 96.830 107.175 54.359 1.00 19.10 ? 316 TYR A CE1 1 ATOM 2250 C CE2 . TYR A 1 235 ? 95.233 106.724 56.117 1.00 19.13 ? 316 TYR A CE2 1 ATOM 2251 C CZ . TYR A 1 235 ? 96.494 106.588 55.562 1.00 20.02 ? 316 TYR A CZ 1 ATOM 2252 O OH . TYR A 1 235 ? 97.397 105.768 56.208 1.00 20.19 ? 316 TYR A OH 1 ATOM 2253 H H . TYR A 1 235 ? 93.795 108.922 50.820 1.00 0.00 ? 316 TYR A H 1 ATOM 2254 H HH . TYR A 1 235 ? 96.843 105.245 56.788 1.00 0.00 ? 316 TYR A HH 1 ATOM 2255 N N . VAL A 1 236 ? 90.492 108.277 52.688 1.00 25.21 ? 317 VAL A N 1 ATOM 2256 C CA . VAL A 1 236 ? 89.201 108.802 52.215 1.00 25.79 ? 317 VAL A CA 1 ATOM 2257 C C . VAL A 1 236 ? 89.171 110.290 52.481 1.00 24.64 ? 317 VAL A C 1 ATOM 2258 O O . VAL A 1 236 ? 89.545 110.706 53.583 1.00 24.99 ? 317 VAL A O 1 ATOM 2259 C CB . VAL A 1 236 ? 87.971 108.078 52.911 1.00 25.74 ? 317 VAL A CB 1 ATOM 2260 C CG1 . VAL A 1 236 ? 87.866 106.659 52.405 1.00 25.23 ? 317 VAL A CG1 1 ATOM 2261 C CG2 . VAL A 1 236 ? 88.167 107.858 54.383 1.00 26.51 ? 317 VAL A CG2 1 ATOM 2262 H H . VAL A 1 236 ? 90.533 107.603 53.400 1.00 0.00 ? 317 VAL A H 1 ATOM 2263 N N . CYS A 1 237 ? 88.793 111.102 51.496 1.00 24.85 ? 318 CYS A N 1 ATOM 2264 C CA . CYS A 1 237 ? 88.778 112.563 51.707 1.00 25.57 ? 318 CYS A CA 1 ATOM 2265 C C . CYS A 1 237 ? 88.022 113.142 52.883 1.00 25.39 ? 318 CYS A C 1 ATOM 2266 O O . CYS A 1 237 ? 88.542 113.999 53.585 1.00 26.64 ? 318 CYS A O 1 ATOM 2267 C CB . CYS A 1 237 ? 88.261 113.246 50.490 1.00 24.89 ? 318 CYS A CB 1 ATOM 2268 S SG . CYS A 1 237 ? 89.509 113.341 49.188 1.00 27.73 ? 318 CYS A SG 1 ATOM 2269 H H . CYS A 1 237 ? 88.607 110.749 50.600 1.00 0.00 ? 318 CYS A H 1 ATOM 2270 N N . SER A 1 238 ? 86.784 112.709 53.071 1.00 26.25 ? 319 SER A N 1 ATOM 2271 C CA . SER A 1 238 ? 85.890 113.126 54.122 1.00 25.11 ? 319 SER A CA 1 ATOM 2272 C C . SER A 1 238 ? 86.539 113.480 55.422 1.00 24.39 ? 319 SER A C 1 ATOM 2273 O O . SER A 1 238 ? 87.340 112.730 55.974 1.00 25.16 ? 319 SER A O 1 ATOM 2274 C CB . SER A 1 238 ? 84.835 112.011 54.404 1.00 25.30 ? 319 SER A CB 1 ATOM 2275 O OG . SER A 1 238 ? 84.245 111.907 55.731 1.00 24.14 ? 319 SER A OG 1 ATOM 2276 H H . SER A 1 238 ? 86.430 112.085 52.402 1.00 0.00 ? 319 SER A H 1 ATOM 2277 H HG . SER A 1 238 ? 84.102 110.963 55.900 1.00 0.00 ? 319 SER A HG 1 ATOM 2278 N N . GLY A 1 239 ? 86.104 114.610 55.943 1.00 22.78 ? 320 GLY A N 1 ATOM 2279 C CA . GLY A 1 239 ? 86.587 115.055 57.211 1.00 21.42 ? 320 GLY A CA 1 ATOM 2280 C C . GLY A 1 239 ? 85.798 114.374 58.272 1.00 22.97 ? 320 GLY A C 1 ATOM 2281 O O . GLY A 1 239 ? 86.146 114.498 59.442 1.00 20.97 ? 320 GLY A O 1 ATOM 2282 H H . GLY A 1 239 ? 85.428 115.137 55.469 1.00 0.00 ? 320 GLY A H 1 ATOM 2283 N N . LEU A 1 240 ? 84.712 113.659 57.892 1.00 26.91 ? 321 LEU A N 1 ATOM 2284 C CA . LEU A 1 240 ? 83.916 112.968 58.890 1.00 28.43 ? 321 LEU A CA 1 ATOM 2285 C C . LEU A 1 240 ? 84.634 111.717 59.338 1.00 29.57 ? 321 LEU A C 1 ATOM 2286 O O . LEU A 1 240 ? 84.381 111.372 60.482 1.00 33.85 ? 321 LEU A O 1 ATOM 2287 C CB . LEU A 1 240 ? 82.506 112.710 58.355 1.00 28.82 ? 321 LEU A CB 1 ATOM 2288 C CG . LEU A 1 240 ? 81.668 113.984 58.575 1.00 28.29 ? 321 LEU A CG 1 ATOM 2289 C CD1 . LEU A 1 240 ? 80.295 113.844 57.942 1.00 28.05 ? 321 LEU A CD1 1 ATOM 2290 C CD2 . LEU A 1 240 ? 81.581 114.270 60.067 1.00 26.57 ? 321 LEU A CD2 1 ATOM 2291 H H . LEU A 1 240 ? 84.464 113.592 56.947 1.00 0.00 ? 321 LEU A H 1 ATOM 2292 N N . VAL A 1 241 ? 85.472 110.970 58.623 1.00 28.87 ? 322 VAL A N 1 ATOM 2293 C CA . VAL A 1 241 ? 86.226 109.869 59.272 1.00 28.62 ? 322 VAL A CA 1 ATOM 2294 C C . VAL A 1 241 ? 85.540 108.680 59.976 1.00 29.25 ? 322 VAL A C 1 ATOM 2295 O O . VAL A 1 241 ? 84.896 108.738 61.030 1.00 28.60 ? 322 VAL A O 1 ATOM 2296 C CB . VAL A 1 241 ? 87.288 110.687 60.216 1.00 26.73 ? 322 VAL A CB 1 ATOM 2297 C CG1 . VAL A 1 241 ? 87.880 109.904 61.342 1.00 24.68 ? 322 VAL A CG1 1 ATOM 2298 C CG2 . VAL A 1 241 ? 88.442 111.145 59.327 1.00 24.71 ? 322 VAL A CG2 1 ATOM 2299 H H . VAL A 1 241 ? 85.685 111.243 57.711 1.00 0.00 ? 322 VAL A H 1 ATOM 2300 N N . GLY A 1 242 ? 85.875 107.541 59.364 1.00 29.62 ? 323 GLY A N 1 ATOM 2301 C CA . GLY A 1 242 ? 85.348 106.252 59.742 1.00 29.36 ? 323 GLY A CA 1 ATOM 2302 C C . GLY A 1 242 ? 86.005 105.385 60.799 1.00 29.47 ? 323 GLY A C 1 ATOM 2303 O O . GLY A 1 242 ? 85.327 104.442 61.227 1.00 31.46 ? 323 GLY A O 1 ATOM 2304 H H . GLY A 1 242 ? 86.581 107.572 58.689 1.00 0.00 ? 323 GLY A H 1 ATOM 2305 N N . ASP A 1 243 ? 87.233 105.570 61.267 1.00 26.87 ? 324 ASP A N 1 ATOM 2306 C CA . ASP A 1 243 ? 87.758 104.650 62.260 1.00 25.11 ? 324 ASP A CA 1 ATOM 2307 C C . ASP A 1 243 ? 87.273 104.928 63.665 1.00 24.25 ? 324 ASP A C 1 ATOM 2308 O O . ASP A 1 243 ? 86.617 105.949 63.882 1.00 24.19 ? 324 ASP A O 1 ATOM 2309 C CB . ASP A 1 243 ? 89.269 104.722 62.240 1.00 26.71 ? 324 ASP A CB 1 ATOM 2310 C CG . ASP A 1 243 ? 90.060 103.442 62.025 1.00 27.69 ? 324 ASP A CG 1 ATOM 2311 O OD1 . ASP A 1 243 ? 89.642 102.426 62.593 1.00 26.40 ? 324 ASP A OD1 1 ATOM 2312 O OD2 . ASP A 1 243 ? 91.076 103.493 61.299 1.00 27.47 ? 324 ASP A OD2 1 ATOM 2313 H H . ASP A 1 243 ? 87.736 106.382 61.043 1.00 0.00 ? 324 ASP A H 1 ATOM 2314 N N . THR A 1 244 ? 87.543 104.021 64.603 1.00 22.32 ? 325 THR A N 1 ATOM 2315 C CA . THR A 1 244 ? 87.202 104.178 66.022 1.00 24.03 ? 325 THR A CA 1 ATOM 2316 C C . THR A 1 244 ? 88.495 103.677 66.697 1.00 26.02 ? 325 THR A C 1 ATOM 2317 O O . THR A 1 244 ? 88.909 102.566 66.322 1.00 27.36 ? 325 THR A O 1 ATOM 2318 C CB . THR A 1 244 ? 86.017 103.284 66.451 1.00 23.55 ? 325 THR A CB 1 ATOM 2319 O OG1 . THR A 1 244 ? 85.000 103.548 65.503 1.00 25.39 ? 325 THR A OG1 1 ATOM 2320 C CG2 . THR A 1 244 ? 85.476 103.561 67.824 1.00 23.20 ? 325 THR A CG2 1 ATOM 2321 H H . THR A 1 244 ? 87.872 103.141 64.337 1.00 0.00 ? 325 THR A H 1 ATOM 2322 H HG1 . THR A 1 244 ? 84.485 104.326 65.746 1.00 0.00 ? 325 THR A HG1 1 ATOM 2323 N N . PRO A 1 245 ? 89.275 104.359 67.573 1.00 27.02 ? 326 PRO A N 1 ATOM 2324 C CA . PRO A 1 245 ? 89.111 105.744 67.996 1.00 26.87 ? 326 PRO A CA 1 ATOM 2325 C C . PRO A 1 245 ? 89.250 106.678 66.817 1.00 28.16 ? 326 PRO A C 1 ATOM 2326 O O . PRO A 1 245 ? 89.852 106.353 65.784 1.00 26.94 ? 326 PRO A O 1 ATOM 2327 C CB . PRO A 1 245 ? 90.158 105.974 69.022 1.00 26.80 ? 326 PRO A CB 1 ATOM 2328 C CG . PRO A 1 245 ? 90.497 104.600 69.509 1.00 27.16 ? 326 PRO A CG 1 ATOM 2329 C CD . PRO A 1 245 ? 90.471 103.817 68.199 1.00 27.20 ? 326 PRO A CD 1 ATOM 2330 N N . ARG A 1 246 ? 88.566 107.784 67.078 1.00 30.53 ? 327 ARG A N 1 ATOM 2331 C CA . ARG A 1 246 ? 88.384 108.906 66.190 1.00 33.26 ? 327 ARG A CA 1 ATOM 2332 C C . ARG A 1 246 ? 88.357 110.128 67.133 1.00 36.00 ? 327 ARG A C 1 ATOM 2333 O O . ARG A 1 246 ? 88.075 109.994 68.332 1.00 34.43 ? 327 ARG A O 1 ATOM 2334 C CB . ARG A 1 246 ? 87.053 108.646 65.532 1.00 34.56 ? 327 ARG A CB 1 ATOM 2335 C CG . ARG A 1 246 ? 86.515 109.494 64.405 1.00 37.65 ? 327 ARG A CG 1 ATOM 2336 C CD . ARG A 1 246 ? 84.959 109.490 64.265 1.00 39.30 ? 327 ARG A CD 1 ATOM 2337 N NE . ARG A 1 246 ? 84.377 108.163 64.273 1.00 41.06 ? 327 ARG A NE 1 ATOM 2338 C CZ . ARG A 1 246 ? 83.312 107.824 65.026 1.00 41.34 ? 327 ARG A CZ 1 ATOM 2339 N NH1 . ARG A 1 246 ? 82.674 108.652 65.847 1.00 41.58 ? 327 ARG A NH1 1 ATOM 2340 N NH2 . ARG A 1 246 ? 82.943 106.557 65.051 1.00 41.92 ? 327 ARG A NH2 1 ATOM 2341 H H . ARG A 1 246 ? 88.158 107.880 67.970 1.00 0.00 ? 327 ARG A H 1 ATOM 2342 H HE . ARG A 1 246 ? 84.743 107.493 63.659 1.00 0.00 ? 327 ARG A HE 1 ATOM 2343 H HH11 . ARG A 1 246 ? 82.953 109.609 65.915 1.00 0.00 ? 327 ARG A HH11 1 ATOM 2344 H HH12 . ARG A 1 246 ? 81.893 108.320 66.377 1.00 0.00 ? 327 ARG A HH12 1 ATOM 2345 H HH21 . ARG A 1 246 ? 83.435 105.886 64.496 1.00 0.00 ? 327 ARG A HH21 1 ATOM 2346 H HH22 . ARG A 1 246 ? 82.168 106.271 65.614 1.00 0.00 ? 327 ARG A HH22 1 ATOM 2347 N N . ASN A 1 247 ? 88.561 111.347 66.615 1.00 38.51 ? 328 ASN A N 1 ATOM 2348 C CA . ASN A 1 247 ? 88.564 112.548 67.447 1.00 42.13 ? 328 ASN A CA 1 ATOM 2349 C C . ASN A 1 247 ? 87.229 113.051 67.983 1.00 45.37 ? 328 ASN A C 1 ATOM 2350 O O . ASN A 1 247 ? 87.032 113.258 69.188 1.00 47.12 ? 328 ASN A O 1 ATOM 2351 C CB . ASN A 1 247 ? 89.222 113.711 66.702 1.00 39.72 ? 328 ASN A CB 1 ATOM 2352 C CG . ASN A 1 247 ? 90.609 114.011 67.247 1.00 38.22 ? 328 ASN A CG 1 ATOM 2353 O OD1 . ASN A 1 247 ? 91.048 113.564 68.308 1.00 36.24 ? 328 ASN A OD1 1 ATOM 2354 N ND2 . ASN A 1 247 ? 91.355 114.808 66.508 1.00 37.23 ? 328 ASN A ND2 1 ATOM 2355 H H . ASN A 1 247 ? 88.784 111.409 65.666 1.00 0.00 ? 328 ASN A H 1 ATOM 2356 H HD21 . ASN A 1 247 ? 92.273 114.962 66.813 1.00 0.00 ? 328 ASN A HD21 1 ATOM 2357 H HD22 . ASN A 1 247 ? 90.962 115.237 65.714 1.00 0.00 ? 328 ASN A HD22 1 ATOM 2358 N N . ASP A 1 248 ? 86.366 113.287 67.002 1.00 46.98 ? 329 ASP A N 1 ATOM 2359 C CA . ASP A 1 248 ? 84.987 113.762 67.065 1.00 48.84 ? 329 ASP A CA 1 ATOM 2360 C C . ASP A 1 248 ? 84.960 114.682 65.859 1.00 47.94 ? 329 ASP A C 1 ATOM 2361 O O . ASP A 1 248 ? 85.997 115.165 65.401 1.00 48.12 ? 329 ASP A O 1 ATOM 2362 C CB . ASP A 1 248 ? 84.540 114.539 68.363 1.00 50.15 ? 329 ASP A CB 1 ATOM 2363 C CG . ASP A 1 248 ? 84.936 115.968 68.720 1.00 52.28 ? 329 ASP A CG 1 ATOM 2364 O OD1 . ASP A 1 248 ? 84.579 116.892 67.990 1.00 53.05 ? 329 ASP A OD1 1 ATOM 2365 O OD2 . ASP A 1 248 ? 85.542 116.157 69.781 1.00 53.24 ? 329 ASP A OD2 1 ATOM 2366 H H . ASP A 1 248 ? 86.718 113.174 66.098 1.00 0.00 ? 329 ASP A H 1 ATOM 2367 N N . ASP A 1 249 ? 83.772 114.928 65.340 1.00 47.16 ? 330 ASP A N 1 ATOM 2368 C CA . ASP A 1 249 ? 83.634 115.692 64.124 1.00 46.97 ? 330 ASP A CA 1 ATOM 2369 C C . ASP A 1 249 ? 84.083 117.120 64.105 1.00 47.09 ? 330 ASP A C 1 ATOM 2370 O O . ASP A 1 249 ? 84.350 117.630 63.031 1.00 46.03 ? 330 ASP A O 1 ATOM 2371 C CB . ASP A 1 249 ? 82.168 115.576 63.680 1.00 47.59 ? 330 ASP A CB 1 ATOM 2372 C CG . ASP A 1 249 ? 81.656 114.152 63.382 1.00 47.95 ? 330 ASP A CG 1 ATOM 2373 O OD1 . ASP A 1 249 ? 82.419 113.186 63.349 1.00 48.59 ? 330 ASP A OD1 1 ATOM 2374 O OD2 . ASP A 1 249 ? 80.461 113.998 63.162 1.00 48.05 ? 330 ASP A OD2 1 ATOM 2375 H H . ASP A 1 249 ? 82.979 114.545 65.763 1.00 0.00 ? 330 ASP A H 1 ATOM 2376 N N . ARG A 1 250 ? 84.149 117.793 65.250 1.00 48.03 ? 331 ARG A N 1 ATOM 2377 C CA . ARG A 1 250 ? 84.591 119.181 65.276 1.00 48.77 ? 331 ARG A CA 1 ATOM 2378 C C . ARG A 1 250 ? 86.079 119.213 64.996 1.00 45.66 ? 331 ARG A C 1 ATOM 2379 O O . ARG A 1 250 ? 86.533 119.929 64.108 1.00 44.61 ? 331 ARG A O 1 ATOM 2380 C CB . ARG A 1 250 ? 84.391 119.854 66.632 1.00 52.81 ? 331 ARG A CB 1 ATOM 2381 C CG . ARG A 1 250 ? 82.945 119.989 67.052 1.00 58.30 ? 331 ARG A CG 1 ATOM 2382 C CD . ARG A 1 250 ? 82.698 121.398 67.597 1.00 63.18 ? 331 ARG A CD 1 ATOM 2383 N NE . ARG A 1 250 ? 82.726 122.441 66.560 1.00 66.49 ? 331 ARG A NE 1 ATOM 2384 C CZ . ARG A 1 250 ? 82.514 123.747 66.833 1.00 67.80 ? 331 ARG A CZ 1 ATOM 2385 N NH1 . ARG A 1 250 ? 82.261 124.196 68.076 1.00 68.03 ? 331 ARG A NH1 1 ATOM 2386 N NH2 . ARG A 1 250 ? 82.544 124.629 65.828 1.00 68.61 ? 331 ARG A NH2 1 ATOM 2387 H H . ARG A 1 250 ? 83.907 117.344 66.075 1.00 0.00 ? 331 ARG A H 1 ATOM 2388 H HE . ARG A 1 250 ? 82.879 122.176 65.629 1.00 0.00 ? 331 ARG A HE 1 ATOM 2389 H HH11 . ARG A 1 250 ? 82.226 123.559 68.845 1.00 0.00 ? 331 ARG A HH11 1 ATOM 2390 H HH12 . ARG A 1 250 ? 82.117 125.173 68.232 1.00 0.00 ? 331 ARG A HH12 1 ATOM 2391 H HH21 . ARG A 1 250 ? 82.710 124.319 64.892 1.00 0.00 ? 331 ARG A HH21 1 ATOM 2392 H HH22 . ARG A 1 250 ? 82.389 125.600 66.012 1.00 0.00 ? 331 ARG A HH22 1 ATOM 2393 N N . SER A 1 251 ? 86.808 118.413 65.773 1.00 41.37 ? 332 SER A N 1 ATOM 2394 C CA . SER A 1 251 ? 88.245 118.324 65.669 1.00 37.90 ? 332 SER A CA 1 ATOM 2395 C C . SER A 1 251 ? 88.741 117.231 64.736 1.00 36.73 ? 332 SER A C 1 ATOM 2396 O O . SER A 1 251 ? 89.814 116.690 65.022 1.00 36.67 ? 332 SER A O 1 ATOM 2397 C CB . SER A 1 251 ? 88.751 118.121 67.085 1.00 37.12 ? 332 SER A CB 1 ATOM 2398 O OG . SER A 1 251 ? 87.833 117.376 67.878 1.00 37.37 ? 332 SER A OG 1 ATOM 2399 H H . SER A 1 251 ? 86.391 117.825 66.434 1.00 0.00 ? 332 SER A H 1 ATOM 2400 H HG . SER A 1 251 ? 88.300 117.021 68.643 1.00 0.00 ? 332 SER A HG 1 ATOM 2401 N N . SER A 1 252 ? 88.114 116.853 63.619 1.00 34.49 ? 333 SER A N 1 ATOM 2402 C CA . SER A 1 252 ? 88.675 115.763 62.894 1.00 32.41 ? 333 SER A CA 1 ATOM 2403 C C . SER A 1 252 ? 89.021 116.138 61.483 1.00 32.29 ? 333 SER A C 1 ATOM 2404 O O . SER A 1 252 ? 88.440 117.052 60.895 1.00 32.50 ? 333 SER A O 1 ATOM 2405 C CB . SER A 1 252 ? 87.681 114.605 63.022 1.00 31.81 ? 333 SER A CB 1 ATOM 2406 O OG . SER A 1 252 ? 86.718 114.424 62.009 1.00 32.14 ? 333 SER A OG 1 ATOM 2407 H H . SER A 1 252 ? 87.363 117.343 63.212 1.00 0.00 ? 333 SER A H 1 ATOM 2408 H HG . SER A 1 252 ? 85.930 113.984 62.358 1.00 0.00 ? 333 SER A HG 1 ATOM 2409 N N . ASN A 1 253 ? 90.029 115.482 60.893 1.00 30.91 ? 334 ASN A N 1 ATOM 2410 C CA . ASN A 1 253 ? 90.414 115.862 59.555 1.00 30.19 ? 334 ASN A CA 1 ATOM 2411 C C . ASN A 1 253 ? 90.959 114.704 58.776 1.00 28.70 ? 334 ASN A C 1 ATOM 2412 O O . ASN A 1 253 ? 91.382 113.694 59.322 1.00 27.63 ? 334 ASN A O 1 ATOM 2413 C CB . ASN A 1 253 ? 91.521 116.966 59.566 1.00 30.45 ? 334 ASN A CB 1 ATOM 2414 C CG . ASN A 1 253 ? 91.232 118.185 60.433 1.00 30.67 ? 334 ASN A CG 1 ATOM 2415 O OD1 . ASN A 1 253 ? 91.437 118.191 61.658 1.00 29.79 ? 334 ASN A OD1 1 ATOM 2416 N ND2 . ASN A 1 253 ? 90.685 119.219 59.821 1.00 30.59 ? 334 ASN A ND2 1 ATOM 2417 H H . ASN A 1 253 ? 90.496 114.747 61.330 1.00 0.00 ? 334 ASN A H 1 ATOM 2418 H HD21 . ASN A 1 253 ? 90.444 119.984 60.380 1.00 0.00 ? 334 ASN A HD21 1 ATOM 2419 H HD22 . ASN A 1 253 ? 90.493 119.184 58.860 1.00 0.00 ? 334 ASN A HD22 1 ATOM 2420 N N . SER A 1 254 ? 91.003 114.942 57.490 1.00 28.16 ? 335 SER A N 1 ATOM 2421 C CA . SER A 1 254 ? 91.538 114.027 56.529 1.00 29.76 ? 335 SER A CA 1 ATOM 2422 C C . SER A 1 254 ? 91.838 114.948 55.360 1.00 30.86 ? 335 SER A C 1 ATOM 2423 O O . SER A 1 254 ? 91.063 115.872 55.071 1.00 32.40 ? 335 SER A O 1 ATOM 2424 C CB . SER A 1 254 ? 90.561 112.997 56.008 1.00 28.84 ? 335 SER A CB 1 ATOM 2425 O OG . SER A 1 254 ? 91.295 112.131 55.144 1.00 27.65 ? 335 SER A OG 1 ATOM 2426 H H . SER A 1 254 ? 90.699 115.805 57.140 1.00 0.00 ? 335 SER A H 1 ATOM 2427 H HG . SER A 1 254 ? 91.730 111.548 55.763 1.00 0.00 ? 335 SER A HG 1 ATOM 2428 N N . ASN A 1 255 ? 92.991 114.764 54.733 1.00 31.11 ? 336 ASN A N 1 ATOM 2429 C CA . ASN A 1 255 ? 93.367 115.555 53.581 1.00 31.66 ? 336 ASN A CA 1 ATOM 2430 C C . ASN A 1 255 ? 93.444 114.668 52.353 1.00 31.32 ? 336 ASN A C 1 ATOM 2431 O O . ASN A 1 255 ? 94.094 115.058 51.365 1.00 32.05 ? 336 ASN A O 1 ATOM 2432 C CB . ASN A 1 255 ? 94.722 116.183 53.787 1.00 33.93 ? 336 ASN A CB 1 ATOM 2433 C CG . ASN A 1 255 ? 95.866 115.200 53.965 1.00 35.06 ? 336 ASN A CG 1 ATOM 2434 O OD1 . ASN A 1 255 ? 95.722 113.972 53.940 1.00 35.19 ? 336 ASN A OD1 1 ATOM 2435 N ND2 . ASN A 1 255 ? 97.062 115.728 54.192 1.00 36.76 ? 336 ASN A ND2 1 ATOM 2436 H H . ASN A 1 255 ? 93.635 114.124 55.110 1.00 0.00 ? 336 ASN A H 1 ATOM 2437 H HD21 . ASN A 1 255 ? 97.816 115.135 54.370 1.00 0.00 ? 336 ASN A HD21 1 ATOM 2438 H HD22 . ASN A 1 255 ? 97.125 116.707 54.186 1.00 0.00 ? 336 ASN A HD22 1 ATOM 2439 N N . CYS A 1 256 ? 92.873 113.448 52.444 1.00 29.59 ? 337 CYS A N 1 ATOM 2440 C CA . CYS A 1 256 ? 92.879 112.476 51.366 1.00 28.65 ? 337 CYS A CA 1 ATOM 2441 C C . CYS A 1 256 ? 94.249 111.868 51.066 1.00 28.86 ? 337 CYS A C 1 ATOM 2442 O O . CYS A 1 256 ? 94.372 110.929 50.269 1.00 27.68 ? 337 CYS A O 1 ATOM 2443 C CB . CYS A 1 256 ? 92.398 113.086 50.047 1.00 27.79 ? 337 CYS A CB 1 ATOM 2444 S SG . CYS A 1 256 ? 90.988 114.192 50.273 1.00 30.14 ? 337 CYS A SG 1 ATOM 2445 H H . CYS A 1 256 ? 92.384 113.204 53.258 1.00 0.00 ? 337 CYS A H 1 ATOM 2446 N N . ARG A 1 257 ? 95.312 112.332 51.711 1.00 29.60 ? 338 ARG A N 1 ATOM 2447 C CA . ARG A 1 257 ? 96.647 111.866 51.403 1.00 30.13 ? 338 ARG A CA 1 ATOM 2448 C C . ARG A 1 257 ? 97.418 111.185 52.505 1.00 28.49 ? 338 ARG A C 1 ATOM 2449 O O . ARG A 1 257 ? 97.991 110.129 52.295 1.00 27.25 ? 338 ARG A O 1 ATOM 2450 C CB . ARG A 1 257 ? 97.476 113.058 50.904 1.00 31.56 ? 338 ARG A CB 1 ATOM 2451 C CG . ARG A 1 257 ? 97.293 113.621 49.475 1.00 35.02 ? 338 ARG A CG 1 ATOM 2452 C CD . ARG A 1 257 ? 97.816 115.079 49.246 1.00 38.69 ? 338 ARG A CD 1 ATOM 2453 N NE . ARG A 1 257 ? 99.151 115.276 49.798 1.00 43.37 ? 338 ARG A NE 1 ATOM 2454 C CZ . ARG A 1 257 ? 99.382 115.716 51.053 1.00 46.34 ? 338 ARG A CZ 1 ATOM 2455 N NH1 . ARG A 1 257 ? 98.376 116.099 51.865 1.00 46.93 ? 338 ARG A NH1 1 ATOM 2456 N NH2 . ARG A 1 257 ? 100.654 115.813 51.489 1.00 47.70 ? 338 ARG A NH2 1 ATOM 2457 H H . ARG A 1 257 ? 95.205 113.007 52.401 1.00 0.00 ? 338 ARG A H 1 ATOM 2458 H HE . ARG A 1 257 ? 99.926 115.096 49.225 1.00 0.00 ? 338 ARG A HE 1 ATOM 2459 H HH11 . ARG A 1 257 ? 97.426 116.053 51.558 1.00 0.00 ? 338 ARG A HH11 1 ATOM 2460 H HH12 . ARG A 1 257 ? 98.585 116.392 52.799 1.00 0.00 ? 338 ARG A HH12 1 ATOM 2461 H HH21 . ARG A 1 257 ? 101.412 115.557 50.888 1.00 0.00 ? 338 ARG A HH21 1 ATOM 2462 H HH22 . ARG A 1 257 ? 100.841 116.112 52.425 1.00 0.00 ? 338 ARG A HH22 1 ATOM 2463 N N . ASP A 1 258 ? 97.376 111.697 53.719 1.00 27.34 ? 339 ASP A N 1 ATOM 2464 C CA . ASP A 1 258 ? 98.176 111.132 54.775 1.00 27.65 ? 339 ASP A CA 1 ATOM 2465 C C . ASP A 1 258 ? 97.296 110.669 55.914 1.00 26.72 ? 339 ASP A C 1 ATOM 2466 O O . ASP A 1 258 ? 96.164 111.142 56.033 1.00 26.22 ? 339 ASP A O 1 ATOM 2467 C CB . ASP A 1 258 ? 99.203 112.231 55.235 1.00 28.93 ? 339 ASP A CB 1 ATOM 2468 C CG . ASP A 1 258 ? 99.838 113.060 54.108 1.00 30.61 ? 339 ASP A CG 1 ATOM 2469 O OD1 . ASP A 1 258 ? 100.293 112.480 53.113 1.00 31.42 ? 339 ASP A OD1 1 ATOM 2470 O OD2 . ASP A 1 258 ? 99.848 114.295 54.196 1.00 31.39 ? 339 ASP A OD2 1 ATOM 2471 H H . ASP A 1 258 ? 96.717 112.378 53.943 1.00 0.00 ? 339 ASP A H 1 ATOM 2472 N N . PRO A 1 259 ? 97.724 109.756 56.781 1.00 27.60 ? 340 PRO A N 1 ATOM 2473 C CA . PRO A 1 259 ? 97.125 109.518 58.080 1.00 28.68 ? 340 PRO A CA 1 ATOM 2474 C C . PRO A 1 259 ? 97.054 110.835 58.777 1.00 29.24 ? 340 PRO A C 1 ATOM 2475 O O . PRO A 1 259 ? 98.007 111.592 58.863 1.00 31.70 ? 340 PRO A O 1 ATOM 2476 C CB . PRO A 1 259 ? 98.028 108.522 58.784 1.00 27.65 ? 340 PRO A CB 1 ATOM 2477 C CG . PRO A 1 259 ? 99.353 108.750 58.129 1.00 27.95 ? 340 PRO A CG 1 ATOM 2478 C CD . PRO A 1 259 ? 98.928 108.941 56.654 1.00 27.98 ? 340 PRO A CD 1 ATOM 2479 N N . ASN A 1 260 ? 95.896 111.095 59.276 1.00 31.13 ? 341 ASN A N 1 ATOM 2480 C CA . ASN A 1 260 ? 95.605 112.320 59.966 1.00 32.02 ? 341 ASN A CA 1 ATOM 2481 C C . ASN A 1 260 ? 96.273 112.410 61.329 1.00 32.54 ? 341 ASN A C 1 ATOM 2482 O O . ASN A 1 260 ? 96.287 113.486 61.931 1.00 33.45 ? 341 ASN A O 1 ATOM 2483 C CB . ASN A 1 260 ? 94.074 112.438 60.096 1.00 31.52 ? 341 ASN A CB 1 ATOM 2484 C CG . ASN A 1 260 ? 93.371 111.474 61.056 1.00 30.74 ? 341 ASN A CG 1 ATOM 2485 O OD1 . ASN A 1 260 ? 93.945 110.554 61.645 1.00 30.31 ? 341 ASN A OD1 1 ATOM 2486 N ND2 . ASN A 1 260 ? 92.076 111.624 61.242 1.00 30.33 ? 341 ASN A ND2 1 ATOM 2487 H H . ASN A 1 260 ? 95.214 110.397 59.238 1.00 0.00 ? 341 ASN A H 1 ATOM 2488 H HD21 . ASN A 1 260 ? 91.638 111.094 61.933 1.00 0.00 ? 341 ASN A HD21 1 ATOM 2489 H HD22 . ASN A 1 260 ? 91.631 112.302 60.687 1.00 0.00 ? 341 ASN A HD22 1 ATOM 2490 N N . ASN A 1 261 ? 96.817 111.323 61.860 1.00 33.06 ? 342 ASN A N 1 ATOM 2491 C CA . ASN A 1 261 ? 97.456 111.328 63.165 1.00 35.50 ? 342 ASN A CA 1 ATOM 2492 C C . ASN A 1 261 ? 96.589 111.725 64.340 1.00 35.57 ? 342 ASN A C 1 ATOM 2493 O O . ASN A 1 261 ? 97.079 111.949 65.453 1.00 36.64 ? 342 ASN A O 1 ATOM 2494 C CB . ASN A 1 261 ? 98.691 112.236 63.174 1.00 37.95 ? 342 ASN A CB 1 ATOM 2495 C CG . ASN A 1 261 ? 99.933 111.471 62.768 1.00 39.33 ? 342 ASN A CG 1 ATOM 2496 O OD1 . ASN A 1 261 ? 100.552 110.841 63.632 1.00 41.03 ? 342 ASN A OD1 1 ATOM 2497 N ND2 . ASN A 1 261 ? 100.322 111.465 61.482 1.00 38.37 ? 342 ASN A ND2 1 ATOM 2498 H H . ASN A 1 261 ? 96.740 110.464 61.394 1.00 0.00 ? 342 ASN A H 1 ATOM 2499 H HD21 . ASN A 1 261 ? 101.118 110.943 61.266 1.00 0.00 ? 342 ASN A HD21 1 ATOM 2500 H HD22 . ASN A 1 261 ? 99.790 111.960 60.825 1.00 0.00 ? 342 ASN A HD22 1 ATOM 2501 N N . GLU A 1 262 ? 95.266 111.760 64.175 1.00 35.26 ? 343 GLU A N 1 ATOM 2502 C CA . GLU A 1 262 ? 94.361 112.110 65.274 1.00 35.36 ? 343 GLU A CA 1 ATOM 2503 C C . GLU A 1 262 ? 93.923 110.752 65.753 1.00 35.24 ? 343 GLU A C 1 ATOM 2504 O O . GLU A 1 262 ? 93.378 110.023 64.941 1.00 36.27 ? 343 GLU A O 1 ATOM 2505 C CB . GLU A 1 262 ? 93.153 112.851 64.789 1.00 35.31 ? 343 GLU A CB 1 ATOM 2506 C CG . GLU A 1 262 ? 93.452 114.245 64.299 1.00 35.26 ? 343 GLU A CG 1 ATOM 2507 C CD . GLU A 1 262 ? 92.551 114.646 63.168 1.00 36.56 ? 343 GLU A CD 1 ATOM 2508 O OE1 . GLU A 1 262 ? 91.393 114.281 63.212 1.00 38.88 ? 343 GLU A OE1 1 ATOM 2509 O OE2 . GLU A 1 262 ? 92.996 115.295 62.226 1.00 37.52 ? 343 GLU A OE2 1 ATOM 2510 H H . GLU A 1 262 ? 94.897 111.418 63.335 1.00 0.00 ? 343 GLU A H 1 ATOM 2511 N N . ARG A 1 263 ? 94.194 110.354 66.991 1.00 35.29 ? 344 ARG A N 1 ATOM 2512 C CA . ARG A 1 263 ? 93.853 109.042 67.552 1.00 35.62 ? 344 ARG A CA 1 ATOM 2513 C C . ARG A 1 263 ? 94.061 107.823 66.650 1.00 36.54 ? 344 ARG A C 1 ATOM 2514 O O . ARG A 1 263 ? 93.338 106.830 66.660 1.00 37.55 ? 344 ARG A O 1 ATOM 2515 C CB . ARG A 1 263 ? 92.429 109.127 68.046 1.00 34.86 ? 344 ARG A CB 1 ATOM 2516 C CG . ARG A 1 263 ? 92.527 109.765 69.402 1.00 33.70 ? 344 ARG A CG 1 ATOM 2517 C CD . ARG A 1 263 ? 91.165 109.974 69.949 1.00 35.00 ? 344 ARG A CD 1 ATOM 2518 N NE . ARG A 1 263 ? 90.960 109.138 71.116 1.00 36.64 ? 344 ARG A NE 1 ATOM 2519 C CZ . ARG A 1 263 ? 89.732 108.770 71.514 1.00 37.63 ? 344 ARG A CZ 1 ATOM 2520 N NH1 . ARG A 1 263 ? 88.625 109.173 70.858 1.00 37.79 ? 344 ARG A NH1 1 ATOM 2521 N NH2 . ARG A 1 263 ? 89.611 107.997 72.604 1.00 37.44 ? 344 ARG A NH2 1 ATOM 2522 H H . ARG A 1 263 ? 94.645 111.016 67.554 1.00 0.00 ? 344 ARG A H 1 ATOM 2523 H HE . ARG A 1 263 ? 91.734 108.855 71.644 1.00 0.00 ? 344 ARG A HE 1 ATOM 2524 H HH11 . ARG A 1 263 ? 88.714 109.752 70.051 1.00 0.00 ? 344 ARG A HH11 1 ATOM 2525 H HH12 . ARG A 1 263 ? 87.721 108.849 71.135 1.00 0.00 ? 344 ARG A HH12 1 ATOM 2526 H HH21 . ARG A 1 263 ? 90.421 107.722 73.123 1.00 0.00 ? 344 ARG A HH21 1 ATOM 2527 H HH22 . ARG A 1 263 ? 88.705 107.710 72.915 1.00 0.00 ? 344 ARG A HH22 1 ATOM 2528 N N . GLY A 1 264 ? 95.178 107.860 65.919 1.00 37.02 ? 345 GLY A N 1 ATOM 2529 C CA . GLY A 1 264 ? 95.590 106.848 64.963 1.00 38.46 ? 345 GLY A CA 1 ATOM 2530 C C . GLY A 1 264 ? 95.426 105.349 65.217 1.00 39.64 ? 345 GLY A C 1 ATOM 2531 O O . GLY A 1 264 ? 94.729 104.560 64.488 1.00 41.81 ? 345 GLY A O 1 ATOM 2532 H H . GLY A 1 264 ? 95.717 108.673 65.999 1.00 0.00 ? 345 GLY A H 1 ATOM 2533 N N . THR A 1 265 ? 96.199 105.008 66.225 1.00 40.73 ? 346 THR A N 1 ATOM 2534 C CA . THR A 1 265 ? 96.362 103.683 66.741 1.00 41.77 ? 346 THR A CA 1 ATOM 2535 C C . THR A 1 265 ? 95.062 103.048 67.111 1.00 42.63 ? 346 THR A C 1 ATOM 2536 O O . THR A 1 265 ? 94.154 103.610 67.712 1.00 44.00 ? 346 THR A O 1 ATOM 2537 C CB . THR A 1 265 ? 97.362 103.832 67.870 1.00 41.77 ? 346 THR A CB 1 ATOM 2538 O OG1 . THR A 1 265 ? 98.577 103.702 67.146 1.00 41.98 ? 346 THR A OG1 1 ATOM 2539 C CG2 . THR A 1 265 ? 97.281 102.848 69.027 1.00 43.04 ? 346 THR A CG2 1 ATOM 2540 H H . THR A 1 265 ? 96.685 105.710 66.700 1.00 0.00 ? 346 THR A H 1 ATOM 2541 H HG1 . THR A 1 265 ? 98.609 104.310 66.395 1.00 0.00 ? 346 THR A HG1 1 ATOM 2542 N N . GLN A 1 266 ? 95.049 101.864 66.518 1.00 42.83 ? 347 GLN A N 1 ATOM 2543 C CA . GLN A 1 266 ? 93.967 100.921 66.531 1.00 42.29 ? 347 GLN A CA 1 ATOM 2544 C C . GLN A 1 266 ? 93.030 101.445 65.421 1.00 39.82 ? 347 GLN A C 1 ATOM 2545 O O . GLN A 1 266 ? 93.253 102.446 64.600 1.00 40.26 ? 347 GLN A O 1 ATOM 2546 C CB . GLN A 1 266 ? 93.265 100.867 67.914 1.00 45.12 ? 347 GLN A CB 1 ATOM 2547 C CG . GLN A 1 266 ? 94.116 100.289 69.063 1.00 49.72 ? 347 GLN A CG 1 ATOM 2548 C CD . GLN A 1 266 ? 93.709 100.750 70.487 1.00 52.93 ? 347 GLN A CD 1 ATOM 2549 O OE1 . GLN A 1 266 ? 92.545 100.684 70.916 1.00 54.05 ? 347 GLN A OE1 1 ATOM 2550 N NE2 . GLN A 1 266 ? 94.654 101.235 71.300 1.00 53.78 ? 347 GLN A NE2 1 ATOM 2551 H H . GLN A 1 266 ? 95.878 101.571 66.072 1.00 0.00 ? 347 GLN A H 1 ATOM 2552 H HE21 . GLN A 1 266 ? 94.349 101.492 72.193 1.00 0.00 ? 347 GLN A HE21 1 ATOM 2553 H HE22 . GLN A 1 266 ? 95.576 101.298 70.985 1.00 0.00 ? 347 GLN A HE22 1 ATOM 2554 N N . GLY A 1 267 ? 92.039 100.557 65.395 1.00 36.52 ? 348 GLY A N 1 ATOM 2555 C CA . GLY A 1 267 ? 90.929 100.633 64.498 1.00 32.11 ? 348 GLY A CA 1 ATOM 2556 C C . GLY A 1 267 ? 89.858 99.611 64.802 1.00 29.33 ? 348 GLY A C 1 ATOM 2557 O O . GLY A 1 267 ? 89.731 99.060 65.904 1.00 29.30 ? 348 GLY A O 1 ATOM 2558 H H . GLY A 1 267 ? 92.014 99.783 66.004 1.00 0.00 ? 348 GLY A H 1 ATOM 2559 N N . VAL A 1 268 ? 89.054 99.438 63.773 1.00 26.01 ? 349 VAL A N 1 ATOM 2560 C CA . VAL A 1 268 ? 87.956 98.496 63.777 1.00 22.73 ? 349 VAL A CA 1 ATOM 2561 C C . VAL A 1 268 ? 87.718 98.315 62.291 1.00 21.66 ? 349 VAL A C 1 ATOM 2562 O O . VAL A 1 268 ? 87.983 99.261 61.549 1.00 18.98 ? 349 VAL A O 1 ATOM 2563 C CB . VAL A 1 268 ? 86.726 99.084 64.521 1.00 22.95 ? 349 VAL A CB 1 ATOM 2564 C CG1 . VAL A 1 268 ? 86.160 100.339 63.855 1.00 22.54 ? 349 VAL A CG1 1 ATOM 2565 C CG2 . VAL A 1 268 ? 85.704 97.966 64.600 1.00 22.16 ? 349 VAL A CG2 1 ATOM 2566 H H . VAL A 1 268 ? 89.202 99.933 62.939 1.00 0.00 ? 349 VAL A H 1 ATOM 2567 N N . LYS A 1 269 ? 87.327 97.127 61.797 1.00 20.13 ? 350 LYS A N 1 ATOM 2568 C CA . LYS A 1 269 ? 87.101 96.974 60.371 1.00 17.63 ? 350 LYS A CA 1 ATOM 2569 C C . LYS A 1 269 ? 85.863 97.806 60.001 1.00 17.96 ? 350 LYS A C 1 ATOM 2570 O O . LYS A 1 269 ? 84.850 97.786 60.719 1.00 18.43 ? 350 LYS A O 1 ATOM 2571 C CB . LYS A 1 269 ? 86.874 95.506 60.035 1.00 15.25 ? 350 LYS A CB 1 ATOM 2572 C CG . LYS A 1 269 ? 86.692 95.226 58.532 1.00 12.90 ? 350 LYS A CG 1 ATOM 2573 C CD . LYS A 1 269 ? 86.454 93.758 58.307 1.00 11.32 ? 350 LYS A CD 1 ATOM 2574 C CE . LYS A 1 269 ? 85.978 93.504 56.898 1.00 11.67 ? 350 LYS A CE 1 ATOM 2575 N NZ . LYS A 1 269 ? 86.941 93.852 55.879 1.00 11.20 ? 350 LYS A NZ 1 ATOM 2576 H H . LYS A 1 269 ? 87.122 96.390 62.401 1.00 0.00 ? 350 LYS A H 1 ATOM 2577 H HZ1 . LYS A 1 269 ? 87.168 94.864 55.953 1.00 0.00 ? 350 LYS A HZ1 1 ATOM 2578 H HZ2 . LYS A 1 269 ? 87.806 93.298 56.012 1.00 0.00 ? 350 LYS A HZ2 1 ATOM 2579 H HZ3 . LYS A 1 269 ? 86.540 93.666 54.939 1.00 0.00 ? 350 LYS A HZ3 1 ATOM 2580 N N . GLY A 1 270 ? 85.918 98.522 58.896 1.00 14.79 ? 351 GLY A N 1 ATOM 2581 C CA . GLY A 1 270 ? 84.826 99.342 58.473 1.00 13.42 ? 351 GLY A CA 1 ATOM 2582 C C . GLY A 1 270 ? 84.832 99.301 56.975 1.00 13.08 ? 351 GLY A C 1 ATOM 2583 O O . GLY A 1 270 ? 85.695 98.625 56.414 1.00 14.57 ? 351 GLY A O 1 ATOM 2584 H H . GLY A 1 270 ? 86.705 98.454 58.302 1.00 0.00 ? 351 GLY A H 1 ATOM 2585 N N . TRP A 1 271 ? 83.957 100.094 56.359 1.00 11.42 ? 352 TRP A N 1 ATOM 2586 C CA . TRP A 1 271 ? 83.758 100.186 54.916 1.00 10.99 ? 352 TRP A CA 1 ATOM 2587 C C . TRP A 1 271 ? 83.271 101.620 54.566 1.00 10.59 ? 352 TRP A C 1 ATOM 2588 O O . TRP A 1 271 ? 82.944 102.424 55.459 1.00 8.92 ? 352 TRP A O 1 ATOM 2589 C CB . TRP A 1 271 ? 82.661 99.129 54.471 1.00 11.84 ? 352 TRP A CB 1 ATOM 2590 C CG . TRP A 1 271 ? 81.261 99.373 55.102 1.00 12.62 ? 352 TRP A CG 1 ATOM 2591 C CD1 . TRP A 1 271 ? 80.971 98.989 56.401 1.00 12.88 ? 352 TRP A CD1 1 ATOM 2592 C CD2 . TRP A 1 271 ? 80.256 100.157 54.572 1.00 11.44 ? 352 TRP A CD2 1 ATOM 2593 N NE1 . TRP A 1 271 ? 79.829 99.564 56.698 1.00 11.26 ? 352 TRP A NE1 1 ATOM 2594 C CE2 . TRP A 1 271 ? 79.380 100.276 55.641 1.00 12.34 ? 352 TRP A CE2 1 ATOM 2595 C CE3 . TRP A 1 271 ? 79.992 100.803 53.374 1.00 12.38 ? 352 TRP A CE3 1 ATOM 2596 C CZ2 . TRP A 1 271 ? 78.240 101.066 55.495 1.00 12.03 ? 352 TRP A CZ2 1 ATOM 2597 C CZ3 . TRP A 1 271 ? 78.853 101.590 53.238 1.00 11.81 ? 352 TRP A CZ3 1 ATOM 2598 C CH2 . TRP A 1 271 ? 77.995 101.713 54.303 1.00 10.59 ? 352 TRP A CH2 1 ATOM 2599 H H . TRP A 1 271 ? 83.425 100.702 56.909 1.00 0.00 ? 352 TRP A H 1 ATOM 2600 H HE1 . TRP A 1 271 ? 79.342 99.318 57.515 1.00 0.00 ? 352 TRP A HE1 1 ATOM 2601 N N . ALA A 1 272 ? 83.140 101.877 53.257 1.00 7.89 ? 353 ALA A N 1 ATOM 2602 C CA . ALA A 1 272 ? 82.668 103.110 52.691 1.00 8.94 ? 353 ALA A CA 1 ATOM 2603 C C . ALA A 1 272 ? 82.643 102.908 51.200 1.00 10.35 ? 353 ALA A C 1 ATOM 2604 O O . ALA A 1 272 ? 83.223 101.944 50.725 1.00 13.58 ? 353 ALA A O 1 ATOM 2605 C CB . ALA A 1 272 ? 83.619 104.251 52.953 1.00 10.72 ? 353 ALA A CB 1 ATOM 2606 H H . ALA A 1 272 ? 83.400 101.168 52.619 1.00 0.00 ? 353 ALA A H 1 ATOM 2607 N N . PHE A 1 273 ? 81.954 103.629 50.369 1.00 12.84 ? 354 PHE A N 1 ATOM 2608 C CA . PHE A 1 273 ? 82.049 103.437 48.936 1.00 16.92 ? 354 PHE A CA 1 ATOM 2609 C C . PHE A 1 273 ? 81.688 104.817 48.386 1.00 20.68 ? 354 PHE A C 1 ATOM 2610 O O . PHE A 1 273 ? 81.031 105.662 49.009 1.00 19.65 ? 354 PHE A O 1 ATOM 2611 C CB . PHE A 1 273 ? 81.103 102.383 48.389 1.00 17.65 ? 354 PHE A CB 1 ATOM 2612 C CG . PHE A 1 273 ? 79.603 102.576 48.469 1.00 18.48 ? 354 PHE A CG 1 ATOM 2613 C CD1 . PHE A 1 273 ? 78.937 102.198 49.615 1.00 18.82 ? 354 PHE A CD1 1 ATOM 2614 C CD2 . PHE A 1 273 ? 78.922 103.070 47.366 1.00 19.38 ? 354 PHE A CD2 1 ATOM 2615 C CE1 . PHE A 1 273 ? 77.562 102.315 49.637 1.00 20.36 ? 354 PHE A CE1 1 ATOM 2616 C CE2 . PHE A 1 273 ? 77.544 103.180 47.411 1.00 19.83 ? 354 PHE A CE2 1 ATOM 2617 C CZ . PHE A 1 273 ? 76.868 102.800 48.545 1.00 19.07 ? 354 PHE A CZ 1 ATOM 2618 H H . PHE A 1 273 ? 81.373 104.347 50.707 1.00 0.00 ? 354 PHE A H 1 ATOM 2619 N N . ASP A 1 274 ? 82.246 105.051 47.226 1.00 24.76 ? 355 ASP A N 1 ATOM 2620 C CA . ASP A 1 274 ? 82.079 106.306 46.562 1.00 28.94 ? 355 ASP A CA 1 ATOM 2621 C C . ASP A 1 274 ? 80.838 106.297 45.693 1.00 30.96 ? 355 ASP A C 1 ATOM 2622 O O . ASP A 1 274 ? 80.355 105.255 45.252 1.00 31.77 ? 355 ASP A O 1 ATOM 2623 C CB . ASP A 1 274 ? 83.346 106.559 45.724 1.00 28.88 ? 355 ASP A CB 1 ATOM 2624 C CG . ASP A 1 274 ? 83.448 105.665 44.491 1.00 30.44 ? 355 ASP A CG 1 ATOM 2625 O OD1 . ASP A 1 274 ? 83.843 104.514 44.611 1.00 32.44 ? 355 ASP A OD1 1 ATOM 2626 O OD2 . ASP A 1 274 ? 83.098 106.099 43.399 1.00 31.14 ? 355 ASP A OD2 1 ATOM 2627 H H . ASP A 1 274 ? 82.708 104.315 46.776 1.00 0.00 ? 355 ASP A H 1 ATOM 2628 N N . ASN A 1 275 ? 80.354 107.491 45.404 1.00 33.03 ? 356 ASN A N 1 ATOM 2629 C CA . ASN A 1 275 ? 79.204 107.701 44.549 1.00 33.42 ? 356 ASN A CA 1 ATOM 2630 C C . ASN A 1 275 ? 79.518 109.083 44.001 1.00 31.98 ? 356 ASN A C 1 ATOM 2631 O O . ASN A 1 275 ? 79.321 110.116 44.664 1.00 30.90 ? 356 ASN A O 1 ATOM 2632 C CB . ASN A 1 275 ? 77.891 107.717 45.348 1.00 35.27 ? 356 ASN A CB 1 ATOM 2633 C CG . ASN A 1 275 ? 76.710 108.045 44.435 1.00 37.08 ? 356 ASN A CG 1 ATOM 2634 O OD1 . ASN A 1 275 ? 75.980 109.009 44.682 1.00 39.64 ? 356 ASN A OD1 1 ATOM 2635 N ND2 . ASN A 1 275 ? 76.483 107.306 43.344 1.00 37.13 ? 356 ASN A ND2 1 ATOM 2636 H H . ASN A 1 275 ? 80.800 108.279 45.791 1.00 0.00 ? 356 ASN A H 1 ATOM 2637 H HD21 . ASN A 1 275 ? 75.645 107.521 42.883 1.00 0.00 ? 356 ASN A HD21 1 ATOM 2638 H HD22 . ASN A 1 275 ? 77.077 106.575 43.092 1.00 0.00 ? 356 ASN A HD22 1 ATOM 2639 N N . GLY A 1 276 ? 80.067 109.107 42.786 1.00 29.60 ? 357 GLY A N 1 ATOM 2640 C CA . GLY A 1 276 ? 80.446 110.381 42.187 1.00 29.44 ? 357 GLY A CA 1 ATOM 2641 C C . GLY A 1 276 ? 81.507 111.062 43.085 1.00 28.42 ? 357 GLY A C 1 ATOM 2642 O O . GLY A 1 276 ? 82.587 110.511 43.342 1.00 29.97 ? 357 GLY A O 1 ATOM 2643 H H . GLY A 1 276 ? 80.342 108.278 42.350 1.00 0.00 ? 357 GLY A H 1 ATOM 2644 N N . ASN A 1 277 ? 81.200 112.204 43.683 1.00 26.27 ? 358 ASN A N 1 ATOM 2645 C CA . ASN A 1 277 ? 82.206 112.835 44.520 1.00 25.12 ? 358 ASN A CA 1 ATOM 2646 C C . ASN A 1 277 ? 81.761 112.641 45.941 1.00 24.66 ? 358 ASN A C 1 ATOM 2647 O O . ASN A 1 277 ? 82.379 113.122 46.898 1.00 23.17 ? 358 ASN A O 1 ATOM 2648 C CB . ASN A 1 277 ? 82.325 114.328 44.234 1.00 27.44 ? 358 ASN A CB 1 ATOM 2649 C CG . ASN A 1 277 ? 82.724 114.666 42.793 1.00 30.71 ? 358 ASN A CG 1 ATOM 2650 O OD1 . ASN A 1 277 ? 83.878 114.775 42.401 1.00 32.34 ? 358 ASN A OD1 1 ATOM 2651 N ND2 . ASN A 1 277 ? 81.801 114.865 41.865 1.00 33.45 ? 358 ASN A ND2 1 ATOM 2652 H H . ASN A 1 277 ? 80.277 112.518 43.680 1.00 0.00 ? 358 ASN A H 1 ATOM 2653 H HD21 . ASN A 1 277 ? 82.129 115.077 40.966 1.00 0.00 ? 358 ASN A HD21 1 ATOM 2654 H HD22 . ASN A 1 277 ? 80.861 114.813 42.116 1.00 0.00 ? 358 ASN A HD22 1 ATOM 2655 N N . ASP A 1 278 ? 80.664 111.907 46.143 1.00 24.82 ? 359 ASP A N 1 ATOM 2656 C CA . ASP A 1 278 ? 80.117 111.683 47.475 1.00 23.69 ? 359 ASP A CA 1 ATOM 2657 C C . ASP A 1 278 ? 80.530 110.353 47.992 1.00 19.27 ? 359 ASP A C 1 ATOM 2658 O O . ASP A 1 278 ? 80.970 109.471 47.273 1.00 15.59 ? 359 ASP A O 1 ATOM 2659 C CB . ASP A 1 278 ? 78.599 111.775 47.446 1.00 27.77 ? 359 ASP A CB 1 ATOM 2660 C CG . ASP A 1 278 ? 78.138 113.020 46.686 1.00 31.17 ? 359 ASP A CG 1 ATOM 2661 O OD1 . ASP A 1 278 ? 78.425 114.126 47.148 1.00 33.45 ? 359 ASP A OD1 1 ATOM 2662 O OD2 . ASP A 1 278 ? 77.536 112.875 45.616 1.00 33.27 ? 359 ASP A OD2 1 ATOM 2663 H H . ASP A 1 278 ? 80.272 111.425 45.407 1.00 0.00 ? 359 ASP A H 1 ATOM 2664 N N . LEU A 1 279 ? 80.351 110.294 49.283 1.00 17.76 ? 360 LEU A N 1 ATOM 2665 C CA . LEU A 1 279 ? 80.710 109.133 50.020 1.00 17.48 ? 360 LEU A CA 1 ATOM 2666 C C . LEU A 1 279 ? 79.623 108.558 50.917 1.00 17.83 ? 360 LEU A C 1 ATOM 2667 O O . LEU A 1 279 ? 79.073 109.305 51.724 1.00 19.86 ? 360 LEU A O 1 ATOM 2668 C CB . LEU A 1 279 ? 81.912 109.459 50.892 1.00 15.50 ? 360 LEU A CB 1 ATOM 2669 C CG . LEU A 1 279 ? 82.572 108.276 51.551 1.00 14.91 ? 360 LEU A CG 1 ATOM 2670 C CD1 . LEU A 1 279 ? 83.521 107.679 50.513 1.00 13.58 ? 360 LEU A CD1 1 ATOM 2671 C CD2 . LEU A 1 279 ? 83.169 108.679 52.896 1.00 14.43 ? 360 LEU A CD2 1 ATOM 2672 H H . LEU A 1 279 ? 79.936 111.045 49.758 1.00 0.00 ? 360 LEU A H 1 ATOM 2673 N N . TRP A 1 280 ? 79.303 107.272 50.789 1.00 17.19 ? 361 TRP A N 1 ATOM 2674 C CA . TRP A 1 280 ? 78.343 106.598 51.645 1.00 15.73 ? 361 TRP A CA 1 ATOM 2675 C C . TRP A 1 280 ? 79.248 105.880 52.627 1.00 15.47 ? 361 TRP A C 1 ATOM 2676 O O . TRP A 1 280 ? 80.231 105.266 52.195 1.00 15.11 ? 361 TRP A O 1 ATOM 2677 C CB . TRP A 1 280 ? 77.564 105.580 50.880 1.00 13.81 ? 361 TRP A CB 1 ATOM 2678 C CG . TRP A 1 280 ? 76.362 106.172 50.186 1.00 11.02 ? 361 TRP A CG 1 ATOM 2679 C CD1 . TRP A 1 280 ? 76.361 106.366 48.836 1.00 11.15 ? 361 TRP A CD1 1 ATOM 2680 C CD2 . TRP A 1 280 ? 75.215 106.556 50.817 1.00 8.87 ? 361 TRP A CD2 1 ATOM 2681 N NE1 . TRP A 1 280 ? 75.177 106.885 48.613 1.00 11.48 ? 361 TRP A NE1 1 ATOM 2682 C CE2 . TRP A 1 280 ? 74.472 107.002 49.760 1.00 9.04 ? 361 TRP A CE2 1 ATOM 2683 C CE3 . TRP A 1 280 ? 74.707 106.582 52.093 1.00 9.02 ? 361 TRP A CE3 1 ATOM 2684 C CZ2 . TRP A 1 280 ? 73.198 107.505 49.946 1.00 7.71 ? 361 TRP A CZ2 1 ATOM 2685 C CZ3 . TRP A 1 280 ? 73.431 107.086 52.293 1.00 8.81 ? 361 TRP A CZ3 1 ATOM 2686 C CH2 . TRP A 1 280 ? 72.694 107.541 51.221 1.00 7.44 ? 361 TRP A CH2 1 ATOM 2687 H H . TRP A 1 280 ? 79.803 106.724 50.145 1.00 0.00 ? 361 TRP A H 1 ATOM 2688 H HE1 . TRP A 1 280 ? 74.860 107.197 47.736 1.00 0.00 ? 361 TRP A HE1 1 ATOM 2689 N N . MET A 1 281 ? 79.022 105.905 53.924 1.00 16.09 ? 362 MET A N 1 ATOM 2690 C CA . MET A 1 281 ? 79.923 105.228 54.828 1.00 17.40 ? 362 MET A CA 1 ATOM 2691 C C . MET A 1 281 ? 79.212 104.888 56.110 1.00 18.55 ? 362 MET A C 1 ATOM 2692 O O . MET A 1 281 ? 78.084 105.315 56.313 1.00 19.56 ? 362 MET A O 1 ATOM 2693 C CB . MET A 1 281 ? 81.104 106.123 55.161 1.00 18.88 ? 362 MET A CB 1 ATOM 2694 C CG . MET A 1 281 ? 80.763 107.549 55.619 1.00 19.66 ? 362 MET A CG 1 ATOM 2695 S SD . MET A 1 281 ? 82.146 108.425 56.401 1.00 20.75 ? 362 MET A SD 1 ATOM 2696 C CE . MET A 1 281 ? 82.073 108.018 58.137 1.00 14.46 ? 362 MET A CE 1 ATOM 2697 H H . MET A 1 281 ? 78.262 106.410 54.292 1.00 0.00 ? 362 MET A H 1 ATOM 2698 N N . GLY A 1 282 ? 79.817 104.149 57.018 1.00 19.08 ? 363 GLY A N 1 ATOM 2699 C CA . GLY A 1 282 ? 79.166 103.829 58.266 1.00 17.97 ? 363 GLY A CA 1 ATOM 2700 C C . GLY A 1 282 ? 80.238 103.880 59.316 1.00 18.21 ? 363 GLY A C 1 ATOM 2701 O O . GLY A 1 282 ? 81.423 103.910 58.966 1.00 18.66 ? 363 GLY A O 1 ATOM 2702 H H . GLY A 1 282 ? 80.758 103.896 56.899 1.00 0.00 ? 363 GLY A H 1 ATOM 2703 N N . ARG A 1 283 ? 79.917 103.938 60.579 1.00 18.36 ? 364 ARG A N 1 ATOM 2704 C CA . ARG A 1 283 ? 80.959 103.962 61.576 1.00 22.30 ? 364 ARG A CA 1 ATOM 2705 C C . ARG A 1 283 ? 80.294 103.695 62.891 1.00 23.37 ? 364 ARG A C 1 ATOM 2706 O O . ARG A 1 283 ? 79.069 103.574 62.917 1.00 22.54 ? 364 ARG A O 1 ATOM 2707 C CB . ARG A 1 283 ? 81.672 105.326 61.658 1.00 25.39 ? 364 ARG A CB 1 ATOM 2708 C CG . ARG A 1 283 ? 80.885 106.629 61.485 1.00 26.81 ? 364 ARG A CG 1 ATOM 2709 C CD . ARG A 1 283 ? 81.546 107.740 62.268 1.00 28.35 ? 364 ARG A CD 1 ATOM 2710 N NE . ARG A 1 283 ? 81.480 109.001 61.551 1.00 31.97 ? 364 ARG A NE 1 ATOM 2711 C CZ . ARG A 1 283 ? 81.063 110.166 62.072 1.00 31.31 ? 364 ARG A CZ 1 ATOM 2712 N NH1 . ARG A 1 283 ? 80.648 110.319 63.322 1.00 31.66 ? 364 ARG A NH1 1 ATOM 2713 N NH2 . ARG A 1 283 ? 81.054 111.219 61.284 1.00 31.46 ? 364 ARG A NH2 1 ATOM 2714 H H . ARG A 1 283 ? 78.980 103.996 60.878 1.00 0.00 ? 364 ARG A H 1 ATOM 2715 H HE . ARG A 1 283 ? 81.779 109.008 60.619 1.00 0.00 ? 364 ARG A HE 1 ATOM 2716 H HH11 . ARG A 1 283 ? 80.627 109.529 63.935 1.00 0.00 ? 364 ARG A HH11 1 ATOM 2717 H HH12 . ARG A 1 283 ? 80.352 111.216 63.650 1.00 0.00 ? 364 ARG A HH12 1 ATOM 2718 H HH21 . ARG A 1 283 ? 81.365 111.142 60.337 1.00 0.00 ? 364 ARG A HH21 1 ATOM 2719 H HH22 . ARG A 1 283 ? 80.766 112.108 61.642 1.00 0.00 ? 364 ARG A HH22 1 ATOM 2720 N N . THR A 1 284 ? 81.017 103.536 63.983 1.00 26.57 ? 365 THR A N 1 ATOM 2721 C CA . THR A 1 284 ? 80.325 103.331 65.238 1.00 29.44 ? 365 THR A CA 1 ATOM 2722 C C . THR A 1 284 ? 79.797 104.713 65.619 1.00 30.58 ? 365 THR A C 1 ATOM 2723 O O . THR A 1 284 ? 80.269 105.741 65.109 1.00 30.48 ? 365 THR A O 1 ATOM 2724 C CB . THR A 1 284 ? 81.311 102.786 66.279 1.00 30.08 ? 365 THR A CB 1 ATOM 2725 O OG1 . THR A 1 284 ? 82.432 103.645 66.312 1.00 32.04 ? 365 THR A OG1 1 ATOM 2726 C CG2 . THR A 1 284 ? 81.837 101.410 65.898 1.00 29.95 ? 365 THR A CG2 1 ATOM 2727 H H . THR A 1 284 ? 81.992 103.642 63.999 1.00 0.00 ? 365 THR A H 1 ATOM 2728 H HG1 . THR A 1 284 ? 82.198 104.543 66.592 1.00 0.00 ? 365 THR A HG1 1 ATOM 2729 N N . ILE A 1 285 ? 78.772 104.794 66.447 1.00 30.58 ? 366 ILE A N 1 ATOM 2730 C CA . ILE A 1 285 ? 78.297 106.105 66.823 1.00 31.51 ? 366 ILE A CA 1 ATOM 2731 C C . ILE A 1 285 ? 79.317 106.599 67.832 1.00 31.87 ? 366 ILE A C 1 ATOM 2732 O O . ILE A 1 285 ? 79.657 107.773 67.825 1.00 33.01 ? 366 ILE A O 1 ATOM 2733 C CB . ILE A 1 285 ? 76.851 105.975 67.391 1.00 30.68 ? 366 ILE A CB 1 ATOM 2734 C CG1 . ILE A 1 285 ? 75.923 105.854 66.188 1.00 29.22 ? 366 ILE A CG1 1 ATOM 2735 C CG2 . ILE A 1 285 ? 76.458 107.151 68.276 1.00 28.71 ? 366 ILE A CG2 1 ATOM 2736 C CD1 . ILE A 1 285 ? 74.510 105.428 66.573 1.00 30.24 ? 366 ILE A CD1 1 ATOM 2737 H H . ILE A 1 285 ? 78.384 103.974 66.815 1.00 0.00 ? 366 ILE A H 1 ATOM 2738 N N . SER A 1 286 ? 79.825 105.751 68.715 1.00 32.73 ? 367 SER A N 1 ATOM 2739 C CA . SER A 1 286 ? 80.827 106.177 69.676 1.00 33.34 ? 367 SER A CA 1 ATOM 2740 C C . SER A 1 286 ? 82.139 106.420 68.937 1.00 34.43 ? 367 SER A C 1 ATOM 2741 O O . SER A 1 286 ? 82.376 105.857 67.871 1.00 35.44 ? 367 SER A O 1 ATOM 2742 C CB . SER A 1 286 ? 80.990 105.083 70.697 1.00 33.45 ? 367 SER A CB 1 ATOM 2743 O OG . SER A 1 286 ? 81.830 105.371 71.806 1.00 33.84 ? 367 SER A OG 1 ATOM 2744 H H . SER A 1 286 ? 79.587 104.803 68.648 1.00 0.00 ? 367 SER A H 1 ATOM 2745 H HG . SER A 1 286 ? 81.447 104.884 72.551 1.00 0.00 ? 367 SER A HG 1 ATOM 2746 N N . LYS A 1 287 ? 83.014 107.290 69.432 1.00 35.56 ? 368 LYS A N 1 ATOM 2747 C CA . LYS A 1 287 ? 84.307 107.540 68.783 1.00 35.59 ? 368 LYS A CA 1 ATOM 2748 C C . LYS A 1 287 ? 85.414 106.890 69.617 1.00 35.70 ? 368 LYS A C 1 ATOM 2749 O O . LYS A 1 287 ? 86.586 106.864 69.244 1.00 35.14 ? 368 LYS A O 1 ATOM 2750 C CB . LYS A 1 287 ? 84.570 109.044 68.669 1.00 35.37 ? 368 LYS A CB 1 ATOM 2751 C CG . LYS A 1 287 ? 84.639 109.681 70.046 1.00 35.66 ? 368 LYS A CG 1 ATOM 2752 C CD . LYS A 1 287 ? 84.788 111.170 69.964 1.00 35.64 ? 368 LYS A CD 1 ATOM 2753 C CE . LYS A 1 287 ? 84.747 111.725 71.373 1.00 36.02 ? 368 LYS A CE 1 ATOM 2754 N NZ . LYS A 1 287 ? 85.873 111.236 72.144 1.00 37.90 ? 368 LYS A NZ 1 ATOM 2755 H H . LYS A 1 287 ? 82.764 107.797 70.228 1.00 0.00 ? 368 LYS A H 1 ATOM 2756 H HZ1 . LYS A 1 287 ? 86.760 111.507 71.674 1.00 0.00 ? 368 LYS A HZ1 1 ATOM 2757 H HZ2 . LYS A 1 287 ? 85.851 111.642 73.101 1.00 0.00 ? 368 LYS A HZ2 1 ATOM 2758 H HZ3 . LYS A 1 287 ? 85.814 110.200 72.207 1.00 0.00 ? 368 LYS A HZ3 1 ATOM 2759 N N . ASP A 1 288 ? 85.037 106.350 70.764 1.00 36.36 ? 369 ASP A N 1 ATOM 2760 C CA . ASP A 1 288 ? 85.974 105.713 71.643 1.00 38.91 ? 369 ASP A CA 1 ATOM 2761 C C . ASP A 1 288 ? 85.811 104.202 71.610 1.00 39.44 ? 369 ASP A C 1 ATOM 2762 O O . ASP A 1 288 ? 86.784 103.477 71.422 1.00 41.83 ? 369 ASP A O 1 ATOM 2763 C CB . ASP A 1 288 ? 85.778 106.187 73.080 1.00 41.40 ? 369 ASP A CB 1 ATOM 2764 C CG . ASP A 1 288 ? 85.820 107.702 73.262 1.00 43.79 ? 369 ASP A CG 1 ATOM 2765 O OD1 . ASP A 1 288 ? 86.765 108.349 72.815 1.00 44.29 ? 369 ASP A OD1 1 ATOM 2766 O OD2 . ASP A 1 288 ? 84.884 108.245 73.853 1.00 45.61 ? 369 ASP A OD2 1 ATOM 2767 H H . ASP A 1 288 ? 84.087 106.302 70.979 1.00 0.00 ? 369 ASP A H 1 ATOM 2768 N N . LEU A 1 289 ? 84.568 103.743 71.766 1.00 37.68 ? 370 LEU A N 1 ATOM 2769 C CA . LEU A 1 289 ? 84.182 102.350 71.812 1.00 34.82 ? 370 LEU A CA 1 ATOM 2770 C C . LEU A 1 289 ? 83.450 101.915 70.572 1.00 34.50 ? 370 LEU A C 1 ATOM 2771 O O . LEU A 1 289 ? 82.932 102.770 69.845 1.00 34.57 ? 370 LEU A O 1 ATOM 2772 C CB . LEU A 1 289 ? 83.286 102.184 72.993 1.00 34.42 ? 370 LEU A CB 1 ATOM 2773 C CG . LEU A 1 289 ? 83.838 101.754 74.326 1.00 35.06 ? 370 LEU A CG 1 ATOM 2774 C CD1 . LEU A 1 289 ? 85.170 102.393 74.655 1.00 35.50 ? 370 LEU A CD1 1 ATOM 2775 C CD2 . LEU A 1 289 ? 82.783 102.089 75.329 1.00 34.66 ? 370 LEU A CD2 1 ATOM 2776 H H . LEU A 1 289 ? 83.834 104.387 71.745 1.00 0.00 ? 370 LEU A H 1 ATOM 2777 N N . ARG A 1 290 ? 83.347 100.611 70.296 1.00 34.60 ? 371 ARG A N 1 ATOM 2778 C CA . ARG A 1 290 ? 82.590 100.200 69.114 1.00 33.84 ? 371 ARG A CA 1 ATOM 2779 C C . ARG A 1 290 ? 81.201 99.810 69.591 1.00 32.73 ? 371 ARG A C 1 ATOM 2780 O O . ARG A 1 290 ? 80.890 98.674 69.977 1.00 32.93 ? 371 ARG A O 1 ATOM 2781 C CB . ARG A 1 290 ? 83.218 99.020 68.350 1.00 33.07 ? 371 ARG A CB 1 ATOM 2782 C CG . ARG A 1 290 ? 84.690 98.957 68.087 1.00 34.41 ? 371 ARG A CG 1 ATOM 2783 C CD . ARG A 1 290 ? 85.199 97.535 68.281 1.00 34.83 ? 371 ARG A CD 1 ATOM 2784 N NE . ARG A 1 290 ? 86.281 97.322 67.342 1.00 36.53 ? 371 ARG A NE 1 ATOM 2785 C CZ . ARG A 1 290 ? 87.117 96.280 67.332 1.00 36.42 ? 371 ARG A CZ 1 ATOM 2786 N NH1 . ARG A 1 290 ? 86.932 95.164 68.032 1.00 35.76 ? 371 ARG A NH1 1 ATOM 2787 N NH2 . ARG A 1 290 ? 88.168 96.376 66.532 1.00 37.08 ? 371 ARG A NH2 1 ATOM 2788 H H . ARG A 1 290 ? 83.773 99.944 70.881 1.00 0.00 ? 371 ARG A H 1 ATOM 2789 H HE . ARG A 1 290 ? 86.418 98.001 66.649 1.00 0.00 ? 371 ARG A HE 1 ATOM 2790 H HH11 . ARG A 1 290 ? 86.125 95.059 68.611 1.00 0.00 ? 371 ARG A HH11 1 ATOM 2791 H HH12 . ARG A 1 290 ? 87.606 94.426 67.983 1.00 0.00 ? 371 ARG A HH12 1 ATOM 2792 H HH21 . ARG A 1 290 ? 88.300 97.192 65.971 1.00 0.00 ? 371 ARG A HH21 1 ATOM 2793 H HH22 . ARG A 1 290 ? 88.823 95.622 66.488 1.00 0.00 ? 371 ARG A HH22 1 ATOM 2794 N N . SER A 1 291 ? 80.432 100.901 69.679 1.00 30.98 ? 372 SER A N 1 ATOM 2795 C CA . SER A 1 291 ? 79.036 100.908 70.103 1.00 28.62 ? 372 SER A CA 1 ATOM 2796 C C . SER A 1 291 ? 78.227 101.776 69.150 1.00 25.84 ? 372 SER A C 1 ATOM 2797 O O . SER A 1 291 ? 78.716 102.817 68.662 1.00 26.84 ? 372 SER A O 1 ATOM 2798 C CB . SER A 1 291 ? 78.953 101.447 71.506 1.00 29.09 ? 372 SER A CB 1 ATOM 2799 O OG . SER A 1 291 ? 79.776 100.623 72.350 1.00 33.23 ? 372 SER A OG 1 ATOM 2800 H H . SER A 1 291 ? 80.820 101.767 69.426 1.00 0.00 ? 372 SER A H 1 ATOM 2801 H HG . SER A 1 291 ? 79.611 99.697 72.140 1.00 0.00 ? 372 SER A HG 1 ATOM 2802 N N . GLY A 1 292 ? 77.028 101.303 68.840 1.00 20.11 ? 373 GLY A N 1 ATOM 2803 C CA . GLY A 1 292 ? 76.121 101.968 67.949 1.00 16.81 ? 373 GLY A CA 1 ATOM 2804 C C . GLY A 1 292 ? 76.647 101.904 66.537 1.00 16.07 ? 373 GLY A C 1 ATOM 2805 O O . GLY A 1 292 ? 77.834 101.608 66.338 1.00 18.80 ? 373 GLY A O 1 ATOM 2806 H H . GLY A 1 292 ? 76.768 100.426 69.176 1.00 0.00 ? 373 GLY A H 1 ATOM 2807 N N . TYR A 1 293 ? 75.847 102.125 65.511 1.00 13.23 ? 374 TYR A N 1 ATOM 2808 C CA . TYR A 1 293 ? 76.391 102.101 64.175 1.00 13.44 ? 374 TYR A CA 1 ATOM 2809 C C . TYR A 1 293 ? 75.453 103.040 63.432 1.00 16.41 ? 374 TYR A C 1 ATOM 2810 O O . TYR A 1 293 ? 74.242 103.002 63.660 1.00 17.05 ? 374 TYR A O 1 ATOM 2811 C CB . TYR A 1 293 ? 76.369 100.693 63.583 1.00 11.62 ? 374 TYR A CB 1 ATOM 2812 C CG . TYR A 1 293 ? 77.285 100.585 62.369 1.00 9.61 ? 374 TYR A CG 1 ATOM 2813 C CD1 . TYR A 1 293 ? 78.650 100.310 62.557 1.00 9.04 ? 374 TYR A CD1 1 ATOM 2814 C CD2 . TYR A 1 293 ? 76.762 100.778 61.095 1.00 7.97 ? 374 TYR A CD2 1 ATOM 2815 C CE1 . TYR A 1 293 ? 79.501 100.231 61.466 1.00 6.13 ? 374 TYR A CE1 1 ATOM 2816 C CE2 . TYR A 1 293 ? 77.606 100.710 60.002 1.00 7.84 ? 374 TYR A CE2 1 ATOM 2817 C CZ . TYR A 1 293 ? 78.965 100.434 60.211 1.00 7.72 ? 374 TYR A CZ 1 ATOM 2818 O OH . TYR A 1 293 ? 79.792 100.365 59.101 1.00 9.37 ? 374 TYR A OH 1 ATOM 2819 H H . TYR A 1 293 ? 74.905 102.354 65.654 1.00 0.00 ? 374 TYR A H 1 ATOM 2820 H HH . TYR A 1 293 ? 79.329 100.764 58.357 1.00 0.00 ? 374 TYR A HH 1 ATOM 2821 N N . GLU A 1 294 ? 75.974 103.900 62.558 1.00 18.51 ? 375 GLU A N 1 ATOM 2822 C CA . GLU A 1 294 ? 75.185 104.857 61.833 1.00 20.36 ? 375 GLU A CA 1 ATOM 2823 C C . GLU A 1 294 ? 75.704 104.884 60.418 1.00 20.24 ? 375 GLU A C 1 ATOM 2824 O O . GLU A 1 294 ? 76.839 104.459 60.211 1.00 21.56 ? 375 GLU A O 1 ATOM 2825 C CB . GLU A 1 294 ? 75.377 106.214 62.550 1.00 24.37 ? 375 GLU A CB 1 ATOM 2826 C CG . GLU A 1 294 ? 76.664 107.045 62.217 1.00 29.10 ? 375 GLU A CG 1 ATOM 2827 C CD . GLU A 1 294 ? 77.202 108.067 63.240 1.00 31.91 ? 375 GLU A CD 1 ATOM 2828 O OE1 . GLU A 1 294 ? 76.455 108.821 63.855 1.00 34.35 ? 375 GLU A OE1 1 ATOM 2829 O OE2 . GLU A 1 294 ? 78.410 108.139 63.450 1.00 34.40 ? 375 GLU A OE2 1 ATOM 2830 H H . GLU A 1 294 ? 76.939 103.873 62.367 1.00 0.00 ? 375 GLU A H 1 ATOM 2831 N N . THR A 1 295 ? 74.956 105.279 59.406 1.00 20.58 ? 376 THR A N 1 ATOM 2832 C CA . THR A 1 295 ? 75.452 105.394 58.051 1.00 21.72 ? 376 THR A CA 1 ATOM 2833 C C . THR A 1 295 ? 75.004 106.776 57.547 1.00 22.27 ? 376 THR A C 1 ATOM 2834 O O . THR A 1 295 ? 74.092 107.382 58.150 1.00 23.61 ? 376 THR A O 1 ATOM 2835 C CB . THR A 1 295 ? 74.885 104.297 57.107 1.00 22.24 ? 376 THR A CB 1 ATOM 2836 O OG1 . THR A 1 295 ? 73.469 104.319 57.104 1.00 25.08 ? 376 THR A OG1 1 ATOM 2837 C CG2 . THR A 1 295 ? 75.293 102.943 57.590 1.00 23.52 ? 376 THR A CG2 1 ATOM 2838 H H . THR A 1 295 ? 74.016 105.517 59.554 1.00 0.00 ? 376 THR A H 1 ATOM 2839 H HG1 . THR A 1 295 ? 73.161 104.448 56.191 1.00 0.00 ? 376 THR A HG1 1 ATOM 2840 N N . PHE A 1 296 ? 75.607 107.376 56.519 1.00 21.20 ? 377 PHE A N 1 ATOM 2841 C CA . PHE A 1 296 ? 75.191 108.661 55.974 1.00 19.46 ? 377 PHE A CA 1 ATOM 2842 C C . PHE A 1 296 ? 75.939 108.903 54.692 1.00 19.72 ? 377 PHE A C 1 ATOM 2843 O O . PHE A 1 296 ? 76.837 108.116 54.338 1.00 20.42 ? 377 PHE A O 1 ATOM 2844 C CB . PHE A 1 296 ? 75.476 109.830 56.938 1.00 19.66 ? 377 PHE A CB 1 ATOM 2845 C CG . PHE A 1 296 ? 76.800 109.876 57.721 1.00 19.28 ? 377 PHE A CG 1 ATOM 2846 C CD1 . PHE A 1 296 ? 77.971 110.311 57.112 1.00 17.45 ? 377 PHE A CD1 1 ATOM 2847 C CD2 . PHE A 1 296 ? 76.803 109.469 59.046 1.00 19.01 ? 377 PHE A CD2 1 ATOM 2848 C CE1 . PHE A 1 296 ? 79.131 110.326 57.840 1.00 17.06 ? 377 PHE A CE1 1 ATOM 2849 C CE2 . PHE A 1 296 ? 77.979 109.491 59.763 1.00 19.17 ? 377 PHE A CE2 1 ATOM 2850 C CZ . PHE A 1 296 ? 79.135 109.917 59.156 1.00 18.17 ? 377 PHE A CZ 1 ATOM 2851 H H . PHE A 1 296 ? 76.383 106.946 56.093 1.00 0.00 ? 377 PHE A H 1 ATOM 2852 N N . LYS A 1 297 ? 75.513 109.908 53.930 1.00 20.18 ? 378 LYS A N 1 ATOM 2853 C CA . LYS A 1 297 ? 76.183 110.281 52.688 1.00 21.29 ? 378 LYS A CA 1 ATOM 2854 C C . LYS A 1 297 ? 76.951 111.533 53.115 1.00 21.98 ? 378 LYS A C 1 ATOM 2855 O O . LYS A 1 297 ? 76.573 112.236 54.069 1.00 22.57 ? 378 LYS A O 1 ATOM 2856 C CB . LYS A 1 297 ? 75.245 110.693 51.601 1.00 19.76 ? 378 LYS A CB 1 ATOM 2857 C CG . LYS A 1 297 ? 75.797 110.727 50.184 1.00 19.82 ? 378 LYS A CG 1 ATOM 2858 C CD . LYS A 1 297 ? 74.745 111.599 49.527 1.00 22.46 ? 378 LYS A CD 1 ATOM 2859 C CE . LYS A 1 297 ? 74.095 111.184 48.212 1.00 24.91 ? 378 LYS A CE 1 ATOM 2860 N NZ . LYS A 1 297 ? 74.997 111.206 47.061 1.00 28.66 ? 378 LYS A NZ 1 ATOM 2861 H H . LYS A 1 297 ? 74.788 110.483 54.249 1.00 0.00 ? 378 LYS A H 1 ATOM 2862 H HZ1 . LYS A 1 297 ? 75.794 110.561 47.238 1.00 0.00 ? 378 LYS A HZ1 1 ATOM 2863 H HZ2 . LYS A 1 297 ? 74.489 110.898 46.207 1.00 0.00 ? 378 LYS A HZ2 1 ATOM 2864 H HZ3 . LYS A 1 297 ? 75.363 112.170 46.917 1.00 0.00 ? 378 LYS A HZ3 1 ATOM 2865 N N . VAL A 1 298 ? 78.108 111.769 52.517 1.00 23.85 ? 379 VAL A N 1 ATOM 2866 C CA . VAL A 1 298 ? 78.924 112.946 52.817 1.00 23.55 ? 379 VAL A CA 1 ATOM 2867 C C . VAL A 1 298 ? 79.099 113.544 51.438 1.00 24.12 ? 379 VAL A C 1 ATOM 2868 O O . VAL A 1 298 ? 79.588 112.944 50.461 1.00 21.45 ? 379 VAL A O 1 ATOM 2869 C CB . VAL A 1 298 ? 80.318 112.622 53.430 1.00 23.69 ? 379 VAL A CB 1 ATOM 2870 C CG1 . VAL A 1 298 ? 81.055 113.931 53.705 1.00 24.53 ? 379 VAL A CG1 1 ATOM 2871 C CG2 . VAL A 1 298 ? 80.206 111.961 54.792 1.00 22.96 ? 379 VAL A CG2 1 ATOM 2872 H H . VAL A 1 298 ? 78.434 111.110 51.874 1.00 0.00 ? 379 VAL A H 1 ATOM 2873 N N . ILE A 1 299 ? 78.499 114.725 51.339 1.00 26.80 ? 380 ILE A N 1 ATOM 2874 C CA . ILE A 1 299 ? 78.553 115.470 50.110 1.00 29.17 ? 380 ILE A CA 1 ATOM 2875 C C . ILE A 1 299 ? 79.995 115.983 50.025 1.00 30.33 ? 380 ILE A C 1 ATOM 2876 O O . ILE A 1 299 ? 80.631 116.464 50.998 1.00 30.63 ? 380 ILE A O 1 ATOM 2877 C CB . ILE A 1 299 ? 77.525 116.591 50.152 1.00 28.95 ? 380 ILE A CB 1 ATOM 2878 C CG1 . ILE A 1 299 ? 76.142 116.103 50.538 1.00 30.73 ? 380 ILE A CG1 1 ATOM 2879 C CG2 . ILE A 1 299 ? 77.385 117.086 48.727 1.00 29.02 ? 380 ILE A CG2 1 ATOM 2880 C CD1 . ILE A 1 299 ? 75.502 116.930 51.664 1.00 31.35 ? 380 ILE A CD1 1 ATOM 2881 H H . ILE A 1 299 ? 78.025 115.087 52.103 1.00 0.00 ? 380 ILE A H 1 ATOM 2882 N N . GLY A 1 300 ? 80.502 115.533 48.865 1.00 30.33 ? 381 GLY A N 1 ATOM 2883 C CA . GLY A 1 300 ? 81.873 115.799 48.458 1.00 30.72 ? 381 GLY A CA 1 ATOM 2884 C C . GLY A 1 300 ? 82.864 114.902 49.228 1.00 30.16 ? 381 GLY A C 1 ATOM 2885 O O . GLY A 1 300 ? 84.066 114.930 48.950 1.00 29.62 ? 381 GLY A O 1 ATOM 2886 H H . GLY A 1 300 ? 79.951 114.963 48.300 1.00 0.00 ? 381 GLY A H 1 ATOM 2887 N N . GLY A 1 301 ? 82.328 114.002 50.080 1.00 28.43 ? 382 GLY A N 1 ATOM 2888 C CA . GLY A 1 301 ? 83.073 113.092 50.926 1.00 26.21 ? 382 GLY A CA 1 ATOM 2889 C C . GLY A 1 301 ? 84.144 112.294 50.222 1.00 25.44 ? 382 GLY A C 1 ATOM 2890 O O . GLY A 1 301 ? 85.116 111.899 50.869 1.00 25.28 ? 382 GLY A O 1 ATOM 2891 H H . GLY A 1 301 ? 81.357 113.965 50.138 1.00 0.00 ? 382 GLY A H 1 ATOM 2892 N N . TRP A 1 302 ? 83.986 112.049 48.933 1.00 24.13 ? 383 TRP A N 1 ATOM 2893 C CA . TRP A 1 302 ? 84.964 111.293 48.213 1.00 25.79 ? 383 TRP A CA 1 ATOM 2894 C C . TRP A 1 302 ? 86.060 112.187 47.640 1.00 27.76 ? 383 TRP A C 1 ATOM 2895 O O . TRP A 1 302 ? 87.247 111.909 47.849 1.00 29.31 ? 383 TRP A O 1 ATOM 2896 C CB . TRP A 1 302 ? 84.320 110.504 47.053 1.00 24.92 ? 383 TRP A CB 1 ATOM 2897 C CG . TRP A 1 302 ? 85.333 109.644 46.314 1.00 25.17 ? 383 TRP A CG 1 ATOM 2898 C CD1 . TRP A 1 302 ? 85.612 109.917 45.002 1.00 25.62 ? 383 TRP A CD1 1 ATOM 2899 C CD2 . TRP A 1 302 ? 86.092 108.601 46.842 1.00 25.44 ? 383 TRP A CD2 1 ATOM 2900 N NE1 . TRP A 1 302 ? 86.560 109.056 44.688 1.00 26.83 ? 383 TRP A NE1 1 ATOM 2901 C CE2 . TRP A 1 302 ? 86.881 108.254 45.740 1.00 25.71 ? 383 TRP A CE2 1 ATOM 2902 C CE3 . TRP A 1 302 ? 86.243 107.902 48.043 1.00 25.14 ? 383 TRP A CE3 1 ATOM 2903 C CZ2 . TRP A 1 302 ? 87.817 107.221 45.819 1.00 24.24 ? 383 TRP A CZ2 1 ATOM 2904 C CZ3 . TRP A 1 302 ? 87.176 106.871 48.112 1.00 25.17 ? 383 TRP A CZ3 1 ATOM 2905 C CH2 . TRP A 1 302 ? 87.956 106.535 47.010 1.00 24.27 ? 383 TRP A CH2 1 ATOM 2906 H H . TRP A 1 302 ? 83.250 112.462 48.446 1.00 0.00 ? 383 TRP A H 1 ATOM 2907 H HE1 . TRP A 1 302 ? 86.965 109.012 43.800 1.00 0.00 ? 383 TRP A HE1 1 ATOM 2908 N N . SER A 1 303 ? 85.685 113.255 46.936 1.00 27.57 ? 384 SER A N 1 ATOM 2909 C CA . SER A 1 303 ? 86.643 114.141 46.307 1.00 26.38 ? 384 SER A CA 1 ATOM 2910 C C . SER A 1 303 ? 87.103 115.407 46.992 1.00 24.98 ? 384 SER A C 1 ATOM 2911 O O . SER A 1 303 ? 88.006 116.062 46.458 1.00 25.87 ? 384 SER A O 1 ATOM 2912 C CB . SER A 1 303 ? 86.079 114.479 44.950 1.00 26.48 ? 384 SER A CB 1 ATOM 2913 O OG . SER A 1 303 ? 85.953 113.231 44.278 1.00 28.14 ? 384 SER A OG 1 ATOM 2914 H H . SER A 1 303 ? 84.732 113.441 46.821 1.00 0.00 ? 384 SER A H 1 ATOM 2915 H HG . SER A 1 303 ? 86.820 112.958 43.975 1.00 0.00 ? 384 SER A HG 1 ATOM 2916 N N . THR A 1 304 ? 86.620 115.861 48.128 1.00 23.22 ? 385 THR A N 1 ATOM 2917 C CA . THR A 1 304 ? 87.185 117.081 48.571 1.00 23.13 ? 385 THR A CA 1 ATOM 2918 C C . THR A 1 304 ? 87.775 116.921 49.934 1.00 23.51 ? 385 THR A C 1 ATOM 2919 O O . THR A 1 304 ? 87.168 116.384 50.871 1.00 24.51 ? 385 THR A O 1 ATOM 2920 C CB . THR A 1 304 ? 86.113 118.217 48.490 1.00 24.05 ? 385 THR A CB 1 ATOM 2921 O OG1 . THR A 1 304 ? 85.322 118.146 49.652 1.00 26.88 ? 385 THR A OG1 1 ATOM 2922 C CG2 . THR A 1 304 ? 85.225 118.114 47.237 1.00 22.65 ? 385 THR A CG2 1 ATOM 2923 H H . THR A 1 304 ? 85.924 115.409 48.653 1.00 0.00 ? 385 THR A H 1 ATOM 2924 H HG1 . THR A 1 304 ? 85.334 117.258 50.055 1.00 0.00 ? 385 THR A HG1 1 ATOM 2925 N N . PRO A 1 305 ? 89.019 117.360 50.044 1.00 23.66 ? 386 PRO A N 1 ATOM 2926 C CA . PRO A 1 305 ? 89.749 117.298 51.290 1.00 23.98 ? 386 PRO A CA 1 ATOM 2927 C C . PRO A 1 305 ? 88.889 117.770 52.441 1.00 24.54 ? 386 PRO A C 1 ATOM 2928 O O . PRO A 1 305 ? 88.215 118.791 52.308 1.00 27.51 ? 386 PRO A O 1 ATOM 2929 C CB . PRO A 1 305 ? 90.945 118.179 51.004 1.00 24.60 ? 386 PRO A CB 1 ATOM 2930 C CG . PRO A 1 305 ? 91.173 118.098 49.490 1.00 23.59 ? 386 PRO A CG 1 ATOM 2931 C CD . PRO A 1 305 ? 89.777 118.008 48.954 1.00 23.81 ? 386 PRO A CD 1 ATOM 2932 N N . ASN A 1 306 ? 88.769 117.018 53.512 1.00 23.81 ? 387 ASN A N 1 ATOM 2933 C CA . ASN A 1 306 ? 88.002 117.436 54.677 1.00 23.86 ? 387 ASN A CA 1 ATOM 2934 C C . ASN A 1 306 ? 86.497 117.795 54.656 1.00 25.06 ? 387 ASN A C 1 ATOM 2935 O O . ASN A 1 306 ? 85.953 118.278 55.663 1.00 24.17 ? 387 ASN A O 1 ATOM 2936 C CB . ASN A 1 306 ? 88.763 118.575 55.293 1.00 22.25 ? 387 ASN A CB 1 ATOM 2937 C CG . ASN A 1 306 ? 88.847 118.447 56.800 1.00 23.94 ? 387 ASN A CG 1 ATOM 2938 O OD1 . ASN A 1 306 ? 89.116 119.416 57.505 1.00 23.79 ? 387 ASN A OD1 1 ATOM 2939 N ND2 . ASN A 1 306 ? 88.775 117.286 57.432 1.00 23.58 ? 387 ASN A ND2 1 ATOM 2940 H H . ASN A 1 306 ? 89.190 116.130 53.512 1.00 0.00 ? 387 ASN A H 1 ATOM 2941 H HD21 . ASN A 1 306 ? 88.601 117.339 58.403 1.00 0.00 ? 387 ASN A HD21 1 ATOM 2942 H HD22 . ASN A 1 306 ? 88.772 116.461 56.915 1.00 0.00 ? 387 ASN A HD22 1 ATOM 2943 N N . SER A 1 307 ? 85.763 117.497 53.574 1.00 25.45 ? 388 SER A N 1 ATOM 2944 C CA . SER A 1 307 ? 84.340 117.744 53.478 1.00 26.95 ? 388 SER A CA 1 ATOM 2945 C C . SER A 1 307 ? 83.582 117.119 54.620 1.00 28.04 ? 388 SER A C 1 ATOM 2946 O O . SER A 1 307 ? 83.775 115.932 54.876 1.00 29.72 ? 388 SER A O 1 ATOM 2947 C CB . SER A 1 307 ? 83.794 117.174 52.201 1.00 27.38 ? 388 SER A CB 1 ATOM 2948 O OG . SER A 1 307 ? 84.488 115.997 51.808 1.00 28.27 ? 388 SER A OG 1 ATOM 2949 H H . SER A 1 307 ? 86.210 117.133 52.775 1.00 0.00 ? 388 SER A H 1 ATOM 2950 H HG . SER A 1 307 ? 84.350 115.351 52.504 1.00 0.00 ? 388 SER A HG 1 ATOM 2951 N N . LYS A 1 308 ? 82.822 117.887 55.403 1.00 29.56 ? 389 LYS A N 1 ATOM 2952 C CA . LYS A 1 308 ? 82.041 117.339 56.511 1.00 29.04 ? 389 LYS A CA 1 ATOM 2953 C C . LYS A 1 308 ? 80.536 117.584 56.312 1.00 29.86 ? 389 LYS A C 1 ATOM 2954 O O . LYS A 1 308 ? 79.779 117.748 57.267 1.00 29.77 ? 389 LYS A O 1 ATOM 2955 C CB . LYS A 1 308 ? 82.472 117.957 57.837 1.00 27.01 ? 389 LYS A CB 1 ATOM 2956 C CG . LYS A 1 308 ? 83.947 117.885 58.065 1.00 26.45 ? 389 LYS A CG 1 ATOM 2957 C CD . LYS A 1 308 ? 84.204 118.173 59.522 1.00 26.29 ? 389 LYS A CD 1 ATOM 2958 C CE . LYS A 1 308 ? 85.704 118.297 59.691 1.00 26.25 ? 389 LYS A CE 1 ATOM 2959 N NZ . LYS A 1 308 ? 86.045 118.233 61.094 1.00 26.22 ? 389 LYS A NZ 1 ATOM 2960 H H . LYS A 1 308 ? 82.881 118.859 55.298 1.00 0.00 ? 389 LYS A H 1 ATOM 2961 H HZ1 . LYS A 1 308 ? 85.488 118.931 61.624 1.00 0.00 ? 389 LYS A HZ1 1 ATOM 2962 H HZ2 . LYS A 1 308 ? 85.828 117.280 61.453 1.00 0.00 ? 389 LYS A HZ2 1 ATOM 2963 H HZ3 . LYS A 1 308 ? 87.058 118.422 61.232 1.00 0.00 ? 389 LYS A HZ3 1 ATOM 2964 N N . SER A 1 309 ? 80.036 117.650 55.085 1.00 30.78 ? 390 SER A N 1 ATOM 2965 C CA . SER A 1 309 ? 78.620 117.851 54.883 1.00 33.87 ? 390 SER A CA 1 ATOM 2966 C C . SER A 1 309 ? 77.893 116.522 54.751 1.00 34.17 ? 390 SER A C 1 ATOM 2967 O O . SER A 1 309 ? 77.957 115.850 53.713 1.00 33.98 ? 390 SER A O 1 ATOM 2968 C CB . SER A 1 309 ? 78.394 118.667 53.629 1.00 36.65 ? 390 SER A CB 1 ATOM 2969 O OG . SER A 1 309 ? 77.984 119.983 54.002 1.00 42.06 ? 390 SER A OG 1 ATOM 2970 H H . SER A 1 309 ? 80.599 117.480 54.303 1.00 0.00 ? 390 SER A H 1 ATOM 2971 H HG . SER A 1 309 ? 78.407 120.270 54.815 1.00 0.00 ? 390 SER A HG 1 ATOM 2972 N N . GLN A 1 310 ? 77.212 116.180 55.836 1.00 34.34 ? 391 GLN A N 1 ATOM 2973 C CA . GLN A 1 310 ? 76.430 114.952 55.980 1.00 34.29 ? 391 GLN A CA 1 ATOM 2974 C C . GLN A 1 310 ? 74.982 115.083 55.520 1.00 34.95 ? 391 GLN A C 1 ATOM 2975 O O . GLN A 1 310 ? 74.452 116.196 55.499 1.00 38.26 ? 391 GLN A O 1 ATOM 2976 C CB . GLN A 1 310 ? 76.474 114.606 57.432 1.00 32.63 ? 391 GLN A CB 1 ATOM 2977 C CG . GLN A 1 310 ? 75.643 113.463 57.810 1.00 32.68 ? 391 GLN A CG 1 ATOM 2978 C CD . GLN A 1 310 ? 75.761 113.091 59.253 1.00 33.78 ? 391 GLN A CD 1 ATOM 2979 O OE1 . GLN A 1 310 ? 74.835 112.508 59.807 1.00 35.10 ? 391 GLN A OE1 1 ATOM 2980 N NE2 . GLN A 1 310 ? 76.848 113.349 59.962 1.00 34.23 ? 391 GLN A NE2 1 ATOM 2981 H H . GLN A 1 310 ? 77.197 116.812 56.582 1.00 0.00 ? 391 GLN A H 1 ATOM 2982 H HE21 . GLN A 1 310 ? 76.896 112.983 60.871 1.00 0.00 ? 391 GLN A HE21 1 ATOM 2983 H HE22 . GLN A 1 310 ? 77.596 113.839 59.565 1.00 0.00 ? 391 GLN A HE22 1 ATOM 2984 N N . ILE A 1 311 ? 74.289 114.010 55.161 1.00 34.53 ? 392 ILE A N 1 ATOM 2985 C CA . ILE A 1 311 ? 72.879 114.005 54.779 1.00 32.37 ? 392 ILE A CA 1 ATOM 2986 C C . ILE A 1 311 ? 72.442 112.531 54.767 1.00 33.17 ? 392 ILE A C 1 ATOM 2987 O O . ILE A 1 311 ? 73.322 111.654 54.694 1.00 35.25 ? 392 ILE A O 1 ATOM 2988 C CB . ILE A 1 311 ? 72.641 114.619 53.380 1.00 31.01 ? 392 ILE A CB 1 ATOM 2989 C CG1 . ILE A 1 311 ? 71.143 114.918 53.327 1.00 31.90 ? 392 ILE A CG1 1 ATOM 2990 C CG2 . ILE A 1 311 ? 73.043 113.718 52.220 1.00 29.62 ? 392 ILE A CG2 1 ATOM 2991 C CD1 . ILE A 1 311 ? 70.655 115.945 52.282 1.00 31.45 ? 392 ILE A CD1 1 ATOM 2992 H H . ILE A 1 311 ? 74.766 113.150 55.101 1.00 0.00 ? 392 ILE A H 1 ATOM 2993 N N . ASN A 1 312 ? 71.135 112.186 54.841 1.00 30.37 ? 393 ASN A N 1 ATOM 2994 C CA . ASN A 1 312 ? 70.616 110.816 54.800 1.00 25.11 ? 393 ASN A CA 1 ATOM 2995 C C . ASN A 1 312 ? 71.161 109.911 55.854 1.00 22.92 ? 393 ASN A C 1 ATOM 2996 O O . ASN A 1 312 ? 71.447 108.739 55.634 1.00 23.71 ? 393 ASN A O 1 ATOM 2997 C CB . ASN A 1 312 ? 70.882 110.179 53.457 1.00 25.87 ? 393 ASN A CB 1 ATOM 2998 C CG . ASN A 1 312 ? 70.051 110.799 52.366 1.00 27.23 ? 393 ASN A CG 1 ATOM 2999 O OD1 . ASN A 1 312 ? 70.495 110.931 51.236 1.00 28.50 ? 393 ASN A OD1 1 ATOM 3000 N ND2 . ASN A 1 312 ? 68.811 111.223 52.583 1.00 29.20 ? 393 ASN A ND2 1 ATOM 3001 H H . ASN A 1 312 ? 70.475 112.899 54.977 1.00 0.00 ? 393 ASN A H 1 ATOM 3002 H HD21 . ASN A 1 312 ? 68.353 111.578 51.796 1.00 0.00 ? 393 ASN A HD21 1 ATOM 3003 H HD22 . ASN A 1 312 ? 68.419 111.152 53.474 1.00 0.00 ? 393 ASN A HD22 1 ATOM 3004 N N . ARG A 1 313 ? 71.328 110.437 57.044 1.00 20.60 ? 394 ARG A N 1 ATOM 3005 C CA . ARG A 1 313 ? 71.832 109.605 58.096 1.00 19.50 ? 394 ARG A CA 1 ATOM 3006 C C . ARG A 1 313 ? 70.827 108.528 58.525 1.00 21.51 ? 394 ARG A C 1 ATOM 3007 O O . ARG A 1 313 ? 69.613 108.750 58.379 1.00 23.12 ? 394 ARG A O 1 ATOM 3008 C CB . ARG A 1 313 ? 72.204 110.542 59.201 1.00 16.66 ? 394 ARG A CB 1 ATOM 3009 C CG . ARG A 1 313 ? 71.952 110.074 60.577 1.00 16.00 ? 394 ARG A CG 1 ATOM 3010 C CD . ARG A 1 313 ? 73.121 110.002 61.461 1.00 15.36 ? 394 ARG A CD 1 ATOM 3011 N NE . ARG A 1 313 ? 72.455 110.160 62.718 1.00 17.38 ? 394 ARG A NE 1 ATOM 3012 C CZ . ARG A 1 313 ? 72.815 109.528 63.808 1.00 20.61 ? 394 ARG A CZ 1 ATOM 3013 N NH1 . ARG A 1 313 ? 73.828 108.693 63.771 1.00 23.81 ? 394 ARG A NH1 1 ATOM 3014 N NH2 . ARG A 1 313 ? 72.163 109.701 64.957 1.00 21.95 ? 394 ARG A NH2 1 ATOM 3015 H H . ARG A 1 313 ? 71.087 111.368 57.233 1.00 0.00 ? 394 ARG A H 1 ATOM 3016 H HE . ARG A 1 313 ? 71.693 110.773 62.783 1.00 0.00 ? 394 ARG A HE 1 ATOM 3017 H HH11 . ARG A 1 313 ? 74.329 108.545 62.919 1.00 0.00 ? 394 ARG A HH11 1 ATOM 3018 H HH12 . ARG A 1 313 ? 74.108 108.211 64.601 1.00 0.00 ? 394 ARG A HH12 1 ATOM 3019 H HH21 . ARG A 1 313 ? 71.374 110.314 64.995 1.00 0.00 ? 394 ARG A HH21 1 ATOM 3020 H HH22 . ARG A 1 313 ? 72.451 109.201 65.773 1.00 0.00 ? 394 ARG A HH22 1 ATOM 3021 N N . GLN A 1 314 ? 71.258 107.336 59.005 1.00 21.19 ? 395 GLN A N 1 ATOM 3022 C CA . GLN A 1 314 ? 70.360 106.288 59.468 1.00 18.07 ? 395 GLN A CA 1 ATOM 3023 C C . GLN A 1 314 ? 70.997 105.649 60.644 1.00 18.23 ? 395 GLN A C 1 ATOM 3024 O O . GLN A 1 314 ? 72.217 105.517 60.641 1.00 18.57 ? 395 GLN A O 1 ATOM 3025 C CB . GLN A 1 314 ? 70.154 105.179 58.482 1.00 16.77 ? 395 GLN A CB 1 ATOM 3026 C CG . GLN A 1 314 ? 69.432 105.631 57.265 1.00 15.22 ? 395 GLN A CG 1 ATOM 3027 C CD . GLN A 1 314 ? 69.211 104.524 56.284 1.00 15.30 ? 395 GLN A CD 1 ATOM 3028 O OE1 . GLN A 1 314 ? 69.601 104.624 55.130 1.00 14.47 ? 395 GLN A OE1 1 ATOM 3029 N NE2 . GLN A 1 314 ? 68.530 103.451 56.650 1.00 18.02 ? 395 GLN A NE2 1 ATOM 3030 H H . GLN A 1 314 ? 72.226 107.183 59.073 1.00 0.00 ? 395 GLN A H 1 ATOM 3031 H HE21 . GLN A 1 314 ? 68.379 102.752 55.988 1.00 0.00 ? 395 GLN A HE21 1 ATOM 3032 H HE22 . GLN A 1 314 ? 68.167 103.399 57.564 1.00 0.00 ? 395 GLN A HE22 1 ATOM 3033 N N . VAL A 1 315 ? 70.279 105.359 61.704 1.00 19.47 ? 396 VAL A N 1 ATOM 3034 C CA . VAL A 1 315 ? 70.879 104.655 62.826 1.00 21.30 ? 396 VAL A CA 1 ATOM 3035 C C . VAL A 1 315 ? 70.570 103.164 62.532 1.00 23.93 ? 396 VAL A C 1 ATOM 3036 O O . VAL A 1 315 ? 69.471 102.784 62.110 1.00 25.55 ? 396 VAL A O 1 ATOM 3037 C CB . VAL A 1 315 ? 70.241 105.066 64.123 1.00 20.71 ? 396 VAL A CB 1 ATOM 3038 C CG1 . VAL A 1 315 ? 70.696 104.215 65.270 1.00 20.80 ? 396 VAL A CG1 1 ATOM 3039 C CG2 . VAL A 1 315 ? 70.657 106.467 64.403 1.00 21.21 ? 396 VAL A CG2 1 ATOM 3040 H H . VAL A 1 315 ? 69.324 105.582 61.723 1.00 0.00 ? 396 VAL A H 1 ATOM 3041 N N . ILE A 1 316 ? 71.571 102.287 62.601 1.00 24.13 ? 397 ILE A N 1 ATOM 3042 C CA . ILE A 1 316 ? 71.389 100.877 62.355 1.00 21.85 ? 397 ILE A CA 1 ATOM 3043 C C . ILE A 1 316 ? 71.427 100.266 63.750 1.00 22.63 ? 397 ILE A C 1 ATOM 3044 O O . ILE A 1 316 ? 70.654 99.358 64.036 1.00 24.56 ? 397 ILE A O 1 ATOM 3045 C CB . ILE A 1 316 ? 72.531 100.390 61.467 1.00 22.17 ? 397 ILE A CB 1 ATOM 3046 C CG1 . ILE A 1 316 ? 72.567 101.235 60.184 1.00 21.03 ? 397 ILE A CG1 1 ATOM 3047 C CG2 . ILE A 1 316 ? 72.385 98.886 61.202 1.00 21.14 ? 397 ILE A CG2 1 ATOM 3048 C CD1 . ILE A 1 316 ? 71.409 101.225 59.182 1.00 18.85 ? 397 ILE A CD1 1 ATOM 3049 H H . ILE A 1 316 ? 72.457 102.642 62.826 1.00 0.00 ? 397 ILE A H 1 ATOM 3050 N N . VAL A 1 317 ? 72.219 100.707 64.720 1.00 22.41 ? 398 VAL A N 1 ATOM 3051 C CA . VAL A 1 317 ? 72.245 100.106 66.053 1.00 23.82 ? 398 VAL A CA 1 ATOM 3052 C C . VAL A 1 317 ? 72.389 101.349 66.918 1.00 26.99 ? 398 VAL A C 1 ATOM 3053 O O . VAL A 1 317 ? 73.279 102.165 66.667 1.00 27.67 ? 398 VAL A O 1 ATOM 3054 C CB . VAL A 1 317 ? 73.491 99.152 66.311 1.00 21.90 ? 398 VAL A CB 1 ATOM 3055 C CG1 . VAL A 1 317 ? 73.430 98.573 67.726 1.00 18.95 ? 398 VAL A CG1 1 ATOM 3056 C CG2 . VAL A 1 317 ? 73.517 98.015 65.302 1.00 20.61 ? 398 VAL A CG2 1 ATOM 3057 H H . VAL A 1 317 ? 72.792 101.491 64.561 1.00 0.00 ? 398 VAL A H 1 ATOM 3058 N N . ASP A 1 318 ? 71.510 101.561 67.891 1.00 29.91 ? 399 ASP A N 1 ATOM 3059 C CA . ASP A 1 318 ? 71.603 102.727 68.731 1.00 32.56 ? 399 ASP A CA 1 ATOM 3060 C C . ASP A 1 318 ? 72.853 102.681 69.591 1.00 33.70 ? 399 ASP A C 1 ATOM 3061 O O . ASP A 1 318 ? 73.341 101.613 69.952 1.00 34.32 ? 399 ASP A O 1 ATOM 3062 C CB . ASP A 1 318 ? 70.371 102.833 69.606 1.00 32.26 ? 399 ASP A CB 1 ATOM 3063 C CG . ASP A 1 318 ? 70.160 101.666 70.549 1.00 33.77 ? 399 ASP A CG 1 ATOM 3064 O OD1 . ASP A 1 318 ? 69.510 100.714 70.125 1.00 35.66 ? 399 ASP A OD1 1 ATOM 3065 O OD2 . ASP A 1 318 ? 70.617 101.701 71.696 1.00 34.18 ? 399 ASP A OD2 1 ATOM 3066 H H . ASP A 1 318 ? 70.825 100.894 68.090 1.00 0.00 ? 399 ASP A H 1 ATOM 3067 N N . SER A 1 319 ? 73.284 103.862 70.003 1.00 35.80 ? 400 SER A N 1 ATOM 3068 C CA . SER A 1 319 ? 74.462 104.089 70.802 1.00 37.39 ? 400 SER A CA 1 ATOM 3069 C C . SER A 1 319 ? 74.507 103.384 72.120 1.00 37.64 ? 400 SER A C 1 ATOM 3070 O O . SER A 1 319 ? 75.527 103.428 72.800 1.00 37.93 ? 400 SER A O 1 ATOM 3071 C CB . SER A 1 319 ? 74.609 105.571 71.049 1.00 38.72 ? 400 SER A CB 1 ATOM 3072 O OG . SER A 1 319 ? 73.389 106.095 71.569 1.00 40.89 ? 400 SER A OG 1 ATOM 3073 H H . SER A 1 319 ? 72.761 104.662 69.792 1.00 0.00 ? 400 SER A H 1 ATOM 3074 H HG . SER A 1 319 ? 73.576 106.580 72.385 1.00 0.00 ? 400 SER A HG 1 ATOM 3075 N N . ASP A 1 320 ? 73.413 102.798 72.555 1.00 38.24 ? 401 ASP A N 1 ATOM 3076 C CA . ASP A 1 320 ? 73.494 102.104 73.816 1.00 39.90 ? 401 ASP A CA 1 ATOM 3077 C C . ASP A 1 320 ? 73.766 100.624 73.650 1.00 38.40 ? 401 ASP A C 1 ATOM 3078 O O . ASP A 1 320 ? 73.879 99.863 74.611 1.00 38.44 ? 401 ASP A O 1 ATOM 3079 C CB . ASP A 1 320 ? 72.206 102.380 74.545 1.00 43.78 ? 401 ASP A CB 1 ATOM 3080 C CG . ASP A 1 320 ? 72.457 103.545 75.489 1.00 47.53 ? 401 ASP A CG 1 ATOM 3081 O OD1 . ASP A 1 320 ? 72.897 104.620 75.042 1.00 49.73 ? 401 ASP A OD1 1 ATOM 3082 O OD2 . ASP A 1 320 ? 72.241 103.350 76.689 1.00 49.75 ? 401 ASP A OD2 1 ATOM 3083 H H . ASP A 1 320 ? 72.588 102.817 72.039 1.00 0.00 ? 401 ASP A H 1 ATOM 3084 N N . ASN A 1 321 ? 73.933 100.225 72.397 1.00 35.93 ? 402 ASN A N 1 ATOM 3085 C CA . ASN A 1 321 ? 74.164 98.848 72.080 1.00 33.62 ? 402 ASN A CA 1 ATOM 3086 C C . ASN A 1 321 ? 75.473 98.719 71.368 1.00 32.06 ? 402 ASN A C 1 ATOM 3087 O O . ASN A 1 321 ? 75.929 99.633 70.672 1.00 32.26 ? 402 ASN A O 1 ATOM 3088 C CB . ASN A 1 321 ? 73.060 98.341 71.205 1.00 33.80 ? 402 ASN A CB 1 ATOM 3089 C CG . ASN A 1 321 ? 71.861 98.044 72.061 1.00 34.13 ? 402 ASN A CG 1 ATOM 3090 O OD1 . ASN A 1 321 ? 71.822 97.173 72.916 1.00 35.50 ? 402 ASN A OD1 1 ATOM 3091 N ND2 . ASN A 1 321 ? 70.803 98.774 71.851 1.00 34.95 ? 402 ASN A ND2 1 ATOM 3092 H H . ASN A 1 321 ? 74.030 100.875 71.670 1.00 0.00 ? 402 ASN A H 1 ATOM 3093 H HD21 . ASN A 1 321 ? 70.026 98.620 72.427 1.00 0.00 ? 402 ASN A HD21 1 ATOM 3094 H HD22 . ASN A 1 321 ? 70.848 99.437 71.142 1.00 0.00 ? 402 ASN A HD22 1 ATOM 3095 N N . ARG A 1 322 ? 76.038 97.529 71.509 1.00 28.27 ? 403 ARG A N 1 ATOM 3096 C CA . ARG A 1 322 ? 77.309 97.185 70.925 1.00 23.38 ? 403 ARG A CA 1 ATOM 3097 C C . ARG A 1 322 ? 77.304 96.873 69.454 1.00 21.62 ? 403 ARG A C 1 ATOM 3098 O O . ARG A 1 322 ? 76.279 96.381 68.954 1.00 20.66 ? 403 ARG A O 1 ATOM 3099 C CB . ARG A 1 322 ? 77.851 95.985 71.599 1.00 23.09 ? 403 ARG A CB 1 ATOM 3100 C CG . ARG A 1 322 ? 77.954 95.978 73.107 1.00 22.03 ? 403 ARG A CG 1 ATOM 3101 C CD . ARG A 1 322 ? 79.345 95.464 73.175 1.00 21.31 ? 403 ARG A CD 1 ATOM 3102 N NE . ARG A 1 322 ? 79.563 94.427 74.134 1.00 22.00 ? 403 ARG A NE 1 ATOM 3103 C CZ . ARG A 1 322 ? 80.701 93.731 74.045 1.00 22.77 ? 403 ARG A CZ 1 ATOM 3104 N NH1 . ARG A 1 322 ? 81.633 93.929 73.114 1.00 23.14 ? 403 ARG A NH1 1 ATOM 3105 N NH2 . ARG A 1 322 ? 80.936 92.791 74.918 1.00 22.83 ? 403 ARG A NH2 1 ATOM 3106 H H . ARG A 1 322 ? 75.563 96.846 72.037 1.00 0.00 ? 403 ARG A H 1 ATOM 3107 H HE . ARG A 1 322 ? 78.897 94.229 74.825 1.00 0.00 ? 403 ARG A HE 1 ATOM 3108 H HH11 . ARG A 1 322 ? 81.507 94.633 72.419 1.00 0.00 ? 403 ARG A HH11 1 ATOM 3109 H HH12 . ARG A 1 322 ? 82.460 93.368 73.110 1.00 0.00 ? 403 ARG A HH12 1 ATOM 3110 H HH21 . ARG A 1 322 ? 80.276 92.592 75.643 1.00 0.00 ? 403 ARG A HH21 1 ATOM 3111 H HH22 . ARG A 1 322 ? 81.787 92.273 74.854 1.00 0.00 ? 403 ARG A HH22 1 ATOM 3112 N N . SER A 1 323 ? 78.388 97.213 68.755 1.00 19.75 ? 404 SER A N 1 ATOM 3113 C CA . SER A 1 323 ? 78.509 96.834 67.356 1.00 19.04 ? 404 SER A CA 1 ATOM 3114 C C . SER A 1 323 ? 79.885 96.087 67.304 1.00 18.94 ? 404 SER A C 1 ATOM 3115 O O . SER A 1 323 ? 80.276 95.376 68.256 1.00 18.73 ? 404 SER A O 1 ATOM 3116 C CB . SER A 1 323 ? 78.487 98.059 66.466 1.00 18.46 ? 404 SER A CB 1 ATOM 3117 O OG . SER A 1 323 ? 79.464 98.983 66.908 1.00 21.36 ? 404 SER A OG 1 ATOM 3118 H H . SER A 1 323 ? 79.152 97.683 69.158 1.00 0.00 ? 404 SER A H 1 ATOM 3119 H HG . SER A 1 323 ? 80.021 99.187 66.147 1.00 0.00 ? 404 SER A HG 1 ATOM 3120 N N . GLY A 1 324 ? 80.663 96.181 66.233 1.00 17.55 ? 405 GLY A N 1 ATOM 3121 C CA . GLY A 1 324 ? 81.950 95.542 66.096 1.00 16.49 ? 405 GLY A CA 1 ATOM 3122 C C . GLY A 1 324 ? 82.365 95.878 64.686 1.00 16.47 ? 405 GLY A C 1 ATOM 3123 O O . GLY A 1 324 ? 82.174 97.001 64.220 1.00 17.74 ? 405 GLY A O 1 ATOM 3124 H H . GLY A 1 324 ? 80.364 96.687 65.448 1.00 0.00 ? 405 GLY A H 1 ATOM 3125 N N . TYR A 1 325 ? 82.897 94.892 63.998 1.00 16.05 ? 406 TYR A N 1 ATOM 3126 C CA . TYR A 1 325 ? 83.356 95.014 62.638 1.00 15.67 ? 406 TYR A CA 1 ATOM 3127 C C . TYR A 1 325 ? 82.255 95.292 61.662 1.00 14.78 ? 406 TYR A C 1 ATOM 3128 O O . TYR A 1 325 ? 81.101 95.041 61.981 1.00 16.72 ? 406 TYR A O 1 ATOM 3129 C CB . TYR A 1 325 ? 84.059 93.720 62.240 1.00 18.64 ? 406 TYR A CB 1 ATOM 3130 C CG . TYR A 1 325 ? 85.490 93.596 62.746 1.00 21.87 ? 406 TYR A CG 1 ATOM 3131 C CD1 . TYR A 1 325 ? 85.934 94.270 63.870 1.00 21.34 ? 406 TYR A CD1 1 ATOM 3132 C CD2 . TYR A 1 325 ? 86.363 92.814 62.001 1.00 24.14 ? 406 TYR A CD2 1 ATOM 3133 C CE1 . TYR A 1 325 ? 87.255 94.164 64.232 1.00 23.46 ? 406 TYR A CE1 1 ATOM 3134 C CE2 . TYR A 1 325 ? 87.691 92.704 62.358 1.00 24.38 ? 406 TYR A CE2 1 ATOM 3135 C CZ . TYR A 1 325 ? 88.118 93.387 63.475 1.00 24.50 ? 406 TYR A CZ 1 ATOM 3136 O OH . TYR A 1 325 ? 89.438 93.285 63.843 1.00 24.14 ? 406 TYR A OH 1 ATOM 3137 H H . TYR A 1 325 ? 82.878 94.007 64.403 1.00 0.00 ? 406 TYR A H 1 ATOM 3138 H HH . TYR A 1 325 ? 89.591 93.708 64.691 1.00 0.00 ? 406 TYR A HH 1 ATOM 3139 N N . SER A 1 326 ? 82.546 95.691 60.444 1.00 13.30 ? 407 SER A N 1 ATOM 3140 C CA . SER A 1 326 ? 81.499 95.942 59.504 1.00 14.89 ? 407 SER A CA 1 ATOM 3141 C C . SER A 1 326 ? 82.176 95.787 58.178 1.00 14.60 ? 407 SER A C 1 ATOM 3142 O O . SER A 1 326 ? 83.381 95.961 58.085 1.00 15.98 ? 407 SER A O 1 ATOM 3143 C CB . SER A 1 326 ? 80.939 97.356 59.711 1.00 17.94 ? 407 SER A CB 1 ATOM 3144 O OG . SER A 1 326 ? 81.823 98.470 59.482 1.00 20.62 ? 407 SER A OG 1 ATOM 3145 H H . SER A 1 326 ? 83.470 95.852 60.159 1.00 0.00 ? 407 SER A H 1 ATOM 3146 H HG . SER A 1 326 ? 82.699 98.095 59.341 1.00 0.00 ? 407 SER A HG 1 ATOM 3147 N N . GLY A 1 327 ? 81.520 95.463 57.108 1.00 14.70 ? 408 GLY A N 1 ATOM 3148 C CA . GLY A 1 327 ? 82.221 95.314 55.862 1.00 14.00 ? 408 GLY A CA 1 ATOM 3149 C C . GLY A 1 327 ? 81.154 95.407 54.823 1.00 15.29 ? 408 GLY A C 1 ATOM 3150 O O . GLY A 1 327 ? 79.967 95.304 55.160 1.00 16.54 ? 408 GLY A O 1 ATOM 3151 H H . GLY A 1 327 ? 80.548 95.357 57.125 1.00 0.00 ? 408 GLY A H 1 ATOM 3152 N N . ILE A 1 328 ? 81.581 95.492 53.583 1.00 16.20 ? 409 ILE A N 1 ATOM 3153 C CA . ILE A 1 328 ? 80.693 95.640 52.474 1.00 16.83 ? 409 ILE A CA 1 ATOM 3154 C C . ILE A 1 328 ? 80.565 94.353 51.669 1.00 18.12 ? 409 ILE A C 1 ATOM 3155 O O . ILE A 1 328 ? 81.395 93.453 51.824 1.00 19.18 ? 409 ILE A O 1 ATOM 3156 C CB . ILE A 1 328 ? 81.277 96.805 51.624 1.00 17.83 ? 409 ILE A CB 1 ATOM 3157 C CG1 . ILE A 1 328 ? 80.269 97.355 50.627 1.00 19.09 ? 409 ILE A CG1 1 ATOM 3158 C CG2 . ILE A 1 328 ? 82.462 96.264 50.822 1.00 17.12 ? 409 ILE A CG2 1 ATOM 3159 C CD1 . ILE A 1 328 ? 80.733 98.538 49.774 1.00 20.82 ? 409 ILE A CD1 1 ATOM 3160 H H . ILE A 1 328 ? 82.536 95.343 53.410 1.00 0.00 ? 409 ILE A H 1 ATOM 3161 N N . PHE A 1 329 ? 79.537 94.242 50.823 1.00 17.16 ? 410 PHE A N 1 ATOM 3162 C CA . PHE A 1 329 ? 79.386 93.117 49.934 1.00 16.75 ? 410 PHE A CA 1 ATOM 3163 C C . PHE A 1 329 ? 78.538 93.674 48.805 1.00 17.07 ? 410 PHE A C 1 ATOM 3164 O O . PHE A 1 329 ? 77.757 94.604 48.984 1.00 17.36 ? 410 PHE A O 1 ATOM 3165 C CB . PHE A 1 329 ? 78.753 91.882 50.648 1.00 15.93 ? 410 PHE A CB 1 ATOM 3166 C CG . PHE A 1 329 ? 77.336 91.841 51.164 1.00 14.28 ? 410 PHE A CG 1 ATOM 3167 C CD1 . PHE A 1 329 ? 76.332 91.375 50.339 1.00 14.19 ? 410 PHE A CD1 1 ATOM 3168 C CD2 . PHE A 1 329 ? 77.093 92.203 52.459 1.00 13.09 ? 410 PHE A CD2 1 ATOM 3169 C CE1 . PHE A 1 329 ? 75.052 91.262 50.838 1.00 14.46 ? 410 PHE A CE1 1 ATOM 3170 C CE2 . PHE A 1 329 ? 75.820 92.091 52.948 1.00 13.67 ? 410 PHE A CE2 1 ATOM 3171 C CZ . PHE A 1 329 ? 74.805 91.622 52.140 1.00 14.41 ? 410 PHE A CZ 1 ATOM 3172 H H . PHE A 1 329 ? 78.831 94.926 50.824 1.00 0.00 ? 410 PHE A H 1 ATOM 3173 N N . SER A 1 330 ? 78.767 93.180 47.626 1.00 17.07 ? 411 SER A N 1 ATOM 3174 C CA . SER A 1 330 ? 78.092 93.632 46.445 1.00 19.15 ? 411 SER A CA 1 ATOM 3175 C C . SER A 1 330 ? 77.181 92.600 45.803 1.00 20.07 ? 411 SER A C 1 ATOM 3176 O O . SER A 1 330 ? 77.617 91.446 45.668 1.00 22.23 ? 411 SER A O 1 ATOM 3177 C CB . SER A 1 330 ? 79.172 94.073 45.460 1.00 20.20 ? 411 SER A CB 1 ATOM 3178 O OG . SER A 1 330 ? 79.995 95.122 45.975 1.00 21.90 ? 411 SER A OG 1 ATOM 3179 H H . SER A 1 330 ? 79.419 92.458 47.542 1.00 0.00 ? 411 SER A H 1 ATOM 3180 H HG . SER A 1 330 ? 79.561 95.962 45.785 1.00 0.00 ? 411 SER A HG 1 ATOM 3181 N N . VAL A 1 331 ? 75.939 92.903 45.372 1.00 20.38 ? 412 VAL A N 1 ATOM 3182 C CA . VAL A 1 331 ? 75.138 91.866 44.749 1.00 20.38 ? 412 VAL A CA 1 ATOM 3183 C C . VAL A 1 331 ? 74.766 92.364 43.360 1.00 19.52 ? 412 VAL A C 1 ATOM 3184 O O . VAL A 1 331 ? 74.459 93.530 43.151 1.00 18.60 ? 412 VAL A O 1 ATOM 3185 C CB . VAL A 1 331 ? 73.896 91.539 45.658 1.00 20.29 ? 412 VAL A CB 1 ATOM 3186 C CG1 . VAL A 1 331 ? 74.258 91.493 47.157 1.00 19.07 ? 412 VAL A CG1 1 ATOM 3187 C CG2 . VAL A 1 331 ? 72.878 92.616 45.504 1.00 23.39 ? 412 VAL A CG2 1 ATOM 3188 H H . VAL A 1 331 ? 75.621 93.833 45.375 1.00 0.00 ? 412 VAL A H 1 ATOM 3189 N N . GLU A 1 332 ? 74.895 91.525 42.361 1.00 21.37 ? 413 GLU A N 1 ATOM 3190 C CA . GLU A 1 332 ? 74.575 91.895 41.005 1.00 25.19 ? 413 GLU A CA 1 ATOM 3191 C C . GLU A 1 332 ? 73.058 92.047 40.888 1.00 27.24 ? 413 GLU A C 1 ATOM 3192 O O . GLU A 1 332 ? 72.308 91.180 41.338 1.00 27.93 ? 413 GLU A O 1 ATOM 3193 C CB . GLU A 1 332 ? 75.073 90.798 40.161 1.00 28.03 ? 413 GLU A CB 1 ATOM 3194 C CG . GLU A 1 332 ? 75.952 91.096 38.984 1.00 32.89 ? 413 GLU A CG 1 ATOM 3195 C CD . GLU A 1 332 ? 75.161 91.356 37.726 1.00 36.21 ? 413 GLU A CD 1 ATOM 3196 O OE1 . GLU A 1 332 ? 74.140 92.022 37.846 1.00 38.92 ? 413 GLU A OE1 1 ATOM 3197 O OE2 . GLU A 1 332 ? 75.556 90.927 36.633 1.00 38.28 ? 413 GLU A OE2 1 ATOM 3198 H H . GLU A 1 332 ? 75.075 90.580 42.555 1.00 0.00 ? 413 GLU A H 1 ATOM 3199 N N . GLY A 1 333 ? 72.564 93.144 40.347 1.00 29.17 ? 414 GLY A N 1 ATOM 3200 C CA . GLY A 1 333 ? 71.145 93.357 40.200 1.00 29.43 ? 414 GLY A CA 1 ATOM 3201 C C . GLY A 1 333 ? 70.854 93.244 38.725 1.00 31.52 ? 414 GLY A C 1 ATOM 3202 O O . GLY A 1 333 ? 71.773 93.130 37.914 1.00 31.47 ? 414 GLY A O 1 ATOM 3203 H H . GLY A 1 333 ? 73.152 93.824 39.963 1.00 0.00 ? 414 GLY A H 1 ATOM 3204 N N . LYS A 1 334 ? 69.596 93.338 38.303 1.00 33.75 ? 415 LYS A N 1 ATOM 3205 C CA . LYS A 1 334 ? 69.237 93.235 36.891 1.00 35.80 ? 415 LYS A CA 1 ATOM 3206 C C . LYS A 1 334 ? 69.867 94.319 36.027 1.00 35.93 ? 415 LYS A C 1 ATOM 3207 O O . LYS A 1 334 ? 70.324 94.149 34.905 1.00 36.89 ? 415 LYS A O 1 ATOM 3208 C CB . LYS A 1 334 ? 67.738 93.344 36.743 1.00 38.23 ? 415 LYS A CB 1 ATOM 3209 C CG . LYS A 1 334 ? 67.198 92.703 35.471 1.00 41.93 ? 415 LYS A CG 1 ATOM 3210 C CD . LYS A 1 334 ? 65.681 92.945 35.256 1.00 45.47 ? 415 LYS A CD 1 ATOM 3211 C CE . LYS A 1 334 ? 64.776 92.702 36.496 1.00 46.81 ? 415 LYS A CE 1 ATOM 3212 N NZ . LYS A 1 334 ? 64.859 91.338 37.013 1.00 48.29 ? 415 LYS A NZ 1 ATOM 3213 H H . LYS A 1 334 ? 68.902 93.450 38.991 1.00 0.00 ? 415 LYS A H 1 ATOM 3214 H HZ1 . LYS A 1 334 ? 65.839 91.119 37.279 1.00 0.00 ? 415 LYS A HZ1 1 ATOM 3215 H HZ2 . LYS A 1 334 ? 64.236 91.237 37.840 1.00 0.00 ? 415 LYS A HZ2 1 ATOM 3216 H HZ3 . LYS A 1 334 ? 64.547 90.680 36.268 1.00 0.00 ? 415 LYS A HZ3 1 ATOM 3217 N N . SER A 1 335 ? 69.832 95.490 36.618 1.00 35.69 ? 416 SER A N 1 ATOM 3218 C CA . SER A 1 335 ? 70.295 96.715 36.016 1.00 35.16 ? 416 SER A CA 1 ATOM 3219 C C . SER A 1 335 ? 71.634 97.305 36.441 1.00 32.57 ? 416 SER A C 1 ATOM 3220 O O . SER A 1 335 ? 72.366 97.911 35.663 1.00 32.80 ? 416 SER A O 1 ATOM 3221 C CB . SER A 1 335 ? 69.133 97.676 36.275 1.00 37.70 ? 416 SER A CB 1 ATOM 3222 O OG . SER A 1 335 ? 68.720 97.499 37.654 1.00 40.37 ? 416 SER A OG 1 ATOM 3223 H H . SER A 1 335 ? 69.441 95.557 37.514 1.00 0.00 ? 416 SER A H 1 ATOM 3224 H HG . SER A 1 335 ? 69.025 98.245 38.187 1.00 0.00 ? 416 SER A HG 1 ATOM 3225 N N . CYS A 1 336 ? 71.914 97.188 37.723 1.00 29.26 ? 417 CYS A N 1 ATOM 3226 C CA . CYS A 1 336 ? 73.104 97.738 38.307 1.00 26.97 ? 417 CYS A CA 1 ATOM 3227 C C . CYS A 1 336 ? 73.658 96.851 39.406 1.00 26.69 ? 417 CYS A C 1 ATOM 3228 O O . CYS A 1 336 ? 73.049 95.810 39.682 1.00 25.00 ? 417 CYS A O 1 ATOM 3229 C CB . CYS A 1 336 ? 72.715 99.063 38.861 1.00 25.68 ? 417 CYS A CB 1 ATOM 3230 S SG . CYS A 1 336 ? 71.332 98.900 40.007 1.00 20.27 ? 417 CYS A SG 1 ATOM 3231 H H . CYS A 1 336 ? 71.356 96.646 38.320 1.00 0.00 ? 417 CYS A H 1 ATOM 3232 N N . ILE A 1 337 ? 74.804 97.163 40.035 1.00 25.59 ? 418 ILE A N 1 ATOM 3233 C CA . ILE A 1 337 ? 75.262 96.301 41.104 1.00 23.77 ? 418 ILE A CA 1 ATOM 3234 C C . ILE A 1 337 ? 75.151 97.190 42.337 1.00 22.57 ? 418 ILE A C 1 ATOM 3235 O O . ILE A 1 337 ? 75.497 98.379 42.370 1.00 22.50 ? 418 ILE A O 1 ATOM 3236 C CB . ILE A 1 337 ? 76.759 95.673 40.824 1.00 23.24 ? 418 ILE A CB 1 ATOM 3237 C CG1 . ILE A 1 337 ? 77.825 96.530 41.353 1.00 22.47 ? 418 ILE A CG1 1 ATOM 3238 C CG2 . ILE A 1 337 ? 76.957 95.358 39.340 1.00 20.17 ? 418 ILE A CG2 1 ATOM 3239 C CD1 . ILE A 1 337 ? 78.252 95.702 42.580 1.00 22.71 ? 418 ILE A CD1 1 ATOM 3240 H H . ILE A 1 337 ? 75.300 97.976 39.822 1.00 0.00 ? 418 ILE A H 1 ATOM 3241 N N . ASN A 1 338 ? 74.484 96.591 43.316 1.00 21.33 ? 419 ASN A N 1 ATOM 3242 C CA . ASN A 1 338 ? 74.197 97.222 44.580 1.00 20.54 ? 419 ASN A CA 1 ATOM 3243 C C . ASN A 1 338 ? 75.241 96.931 45.641 1.00 19.02 ? 419 ASN A C 1 ATOM 3244 O O . ASN A 1 338 ? 76.035 96.015 45.459 1.00 20.00 ? 419 ASN A O 1 ATOM 3245 C CB . ASN A 1 338 ? 72.777 96.770 44.989 1.00 21.52 ? 419 ASN A CB 1 ATOM 3246 C CG . ASN A 1 338 ? 72.177 97.454 46.211 1.00 23.10 ? 419 ASN A CG 1 ATOM 3247 O OD1 . ASN A 1 338 ? 71.491 96.827 47.019 1.00 23.91 ? 419 ASN A OD1 1 ATOM 3248 N ND2 . ASN A 1 338 ? 72.357 98.752 46.465 1.00 22.63 ? 419 ASN A ND2 1 ATOM 3249 H H . ASN A 1 338 ? 74.207 95.656 43.171 1.00 0.00 ? 419 ASN A H 1 ATOM 3250 H HD21 . ASN A 1 338 ? 71.919 99.081 47.268 1.00 0.00 ? 419 ASN A HD21 1 ATOM 3251 H HD22 . ASN A 1 338 ? 72.847 99.333 45.847 1.00 0.00 ? 419 ASN A HD22 1 ATOM 3252 N N . ARG A 1 339 ? 75.253 97.661 46.755 1.00 15.61 ? 420 ARG A N 1 ATOM 3253 C CA . ARG A 1 339 ? 76.221 97.513 47.806 1.00 15.43 ? 420 ARG A CA 1 ATOM 3254 C C . ARG A 1 339 ? 75.435 97.299 49.041 1.00 14.93 ? 420 ARG A C 1 ATOM 3255 O O . ARG A 1 339 ? 74.447 98.008 49.262 1.00 16.85 ? 420 ARG A O 1 ATOM 3256 C CB . ARG A 1 339 ? 77.072 98.795 48.030 1.00 17.13 ? 420 ARG A CB 1 ATOM 3257 C CG . ARG A 1 339 ? 77.641 99.447 46.780 1.00 14.65 ? 420 ARG A CG 1 ATOM 3258 C CD . ARG A 1 339 ? 78.779 98.640 46.282 1.00 16.11 ? 420 ARG A CD 1 ATOM 3259 N NE . ARG A 1 339 ? 79.175 99.267 45.050 1.00 15.81 ? 420 ARG A NE 1 ATOM 3260 C CZ . ARG A 1 339 ? 79.954 98.684 44.156 1.00 16.63 ? 420 ARG A CZ 1 ATOM 3261 N NH1 . ARG A 1 339 ? 80.463 97.462 44.293 1.00 18.38 ? 420 ARG A NH1 1 ATOM 3262 N NH2 . ARG A 1 339 ? 80.226 99.360 43.064 1.00 17.69 ? 420 ARG A NH2 1 ATOM 3263 H H . ARG A 1 339 ? 74.523 98.285 46.941 1.00 0.00 ? 420 ARG A H 1 ATOM 3264 H HE . ARG A 1 339 ? 78.837 100.164 44.863 1.00 0.00 ? 420 ARG A HE 1 ATOM 3265 H HH11 . ARG A 1 339 ? 80.273 96.930 45.118 1.00 0.00 ? 420 ARG A HH11 1 ATOM 3266 H HH12 . ARG A 1 339 ? 81.047 97.076 43.580 1.00 0.00 ? 420 ARG A HH12 1 ATOM 3267 H HH21 . ARG A 1 339 ? 79.841 100.273 42.935 1.00 0.00 ? 420 ARG A HH21 1 ATOM 3268 H HH22 . ARG A 1 339 ? 80.808 98.951 42.362 1.00 0.00 ? 420 ARG A HH22 1 ATOM 3269 N N . CYS A 1 340 ? 75.896 96.407 49.879 1.00 14.44 ? 421 CYS A N 1 ATOM 3270 C CA . CYS A 1 340 ? 75.174 96.119 51.094 1.00 15.12 ? 421 CYS A CA 1 ATOM 3271 C C . CYS A 1 340 ? 76.240 95.998 52.153 1.00 13.55 ? 421 CYS A C 1 ATOM 3272 O O . CYS A 1 340 ? 77.411 95.976 51.806 1.00 14.65 ? 421 CYS A O 1 ATOM 3273 C CB . CYS A 1 340 ? 74.407 94.803 50.939 1.00 15.25 ? 421 CYS A CB 1 ATOM 3274 S SG . CYS A 1 340 ? 73.332 94.478 49.499 1.00 17.95 ? 421 CYS A SG 1 ATOM 3275 H H . CYS A 1 340 ? 76.783 96.012 49.766 1.00 0.00 ? 421 CYS A H 1 ATOM 3276 N N . PHE A 1 341 ? 75.920 95.847 53.425 1.00 13.73 ? 422 PHE A N 1 ATOM 3277 C CA . PHE A 1 341 ? 76.904 95.757 54.468 1.00 13.37 ? 422 PHE A CA 1 ATOM 3278 C C . PHE A 1 341 ? 76.367 94.940 55.626 1.00 14.16 ? 422 PHE A C 1 ATOM 3279 O O . PHE A 1 341 ? 75.154 94.785 55.766 1.00 14.68 ? 422 PHE A O 1 ATOM 3280 C CB . PHE A 1 341 ? 77.270 97.165 54.971 1.00 14.07 ? 422 PHE A CB 1 ATOM 3281 C CG . PHE A 1 341 ? 76.242 97.961 55.769 1.00 13.32 ? 422 PHE A CG 1 ATOM 3282 C CD1 . PHE A 1 341 ? 75.333 98.779 55.101 1.00 12.13 ? 422 PHE A CD1 1 ATOM 3283 C CD2 . PHE A 1 341 ? 76.233 97.865 57.156 1.00 13.90 ? 422 PHE A CD2 1 ATOM 3284 C CE1 . PHE A 1 341 ? 74.421 99.490 55.838 1.00 11.51 ? 422 PHE A CE1 1 ATOM 3285 C CE2 . PHE A 1 341 ? 75.303 98.592 57.889 1.00 14.05 ? 422 PHE A CE2 1 ATOM 3286 C CZ . PHE A 1 341 ? 74.400 99.402 57.222 1.00 12.44 ? 422 PHE A CZ 1 ATOM 3287 H H . PHE A 1 341 ? 74.978 95.744 53.688 1.00 0.00 ? 422 PHE A H 1 ATOM 3288 N N . TYR A 1 342 ? 77.210 94.434 56.497 1.00 13.39 ? 423 TYR A N 1 ATOM 3289 C CA . TYR A 1 342 ? 76.756 93.670 57.649 1.00 12.39 ? 423 TYR A CA 1 ATOM 3290 C C . TYR A 1 342 ? 77.385 94.388 58.813 1.00 12.62 ? 423 TYR A C 1 ATOM 3291 O O . TYR A 1 342 ? 78.366 95.139 58.594 1.00 12.04 ? 423 TYR A O 1 ATOM 3292 C CB . TYR A 1 342 ? 77.311 92.210 57.657 1.00 12.62 ? 423 TYR A CB 1 ATOM 3293 C CG . TYR A 1 342 ? 78.860 92.121 57.543 1.00 10.67 ? 423 TYR A CG 1 ATOM 3294 C CD1 . TYR A 1 342 ? 79.670 92.168 58.663 1.00 9.75 ? 423 TYR A CD1 1 ATOM 3295 C CD2 . TYR A 1 342 ? 79.432 92.053 56.283 1.00 11.22 ? 423 TYR A CD2 1 ATOM 3296 C CE1 . TYR A 1 342 ? 81.056 92.170 58.533 1.00 10.35 ? 423 TYR A CE1 1 ATOM 3297 C CE2 . TYR A 1 342 ? 80.801 92.044 56.136 1.00 11.06 ? 423 TYR A CE2 1 ATOM 3298 C CZ . TYR A 1 342 ? 81.587 92.111 57.265 1.00 10.90 ? 423 TYR A CZ 1 ATOM 3299 O OH . TYR A 1 342 ? 82.946 92.161 57.073 1.00 15.99 ? 423 TYR A OH 1 ATOM 3300 H H . TYR A 1 342 ? 78.163 94.658 56.421 1.00 0.00 ? 423 TYR A H 1 ATOM 3301 H HH . TYR A 1 342 ? 83.423 92.241 57.916 1.00 0.00 ? 423 TYR A HH 1 ATOM 3302 N N . VAL A 1 343 ? 76.902 94.209 60.030 1.00 12.86 ? 424 VAL A N 1 ATOM 3303 C CA . VAL A 1 343 ? 77.617 94.801 61.130 1.00 16.51 ? 424 VAL A CA 1 ATOM 3304 C C . VAL A 1 343 ? 77.495 93.730 62.203 1.00 19.10 ? 424 VAL A C 1 ATOM 3305 O O . VAL A 1 343 ? 76.484 93.069 62.429 1.00 22.63 ? 424 VAL A O 1 ATOM 3306 C CB . VAL A 1 343 ? 77.125 96.300 61.586 1.00 15.43 ? 424 VAL A CB 1 ATOM 3307 C CG1 . VAL A 1 343 ? 75.837 96.727 60.957 1.00 16.85 ? 424 VAL A CG1 1 ATOM 3308 C CG2 . VAL A 1 343 ? 77.110 96.368 63.102 1.00 16.10 ? 424 VAL A CG2 1 ATOM 3309 H H . VAL A 1 343 ? 76.101 93.665 60.197 1.00 0.00 ? 424 VAL A H 1 ATOM 3310 N N . GLU A 1 344 ? 78.674 93.416 62.707 1.00 20.69 ? 425 GLU A N 1 ATOM 3311 C CA . GLU A 1 344 ? 78.895 92.421 63.713 1.00 22.26 ? 425 GLU A CA 1 ATOM 3312 C C . GLU A 1 344 ? 78.510 93.037 65.004 1.00 22.48 ? 425 GLU A C 1 ATOM 3313 O O . GLU A 1 344 ? 78.951 94.149 65.240 1.00 24.41 ? 425 GLU A O 1 ATOM 3314 C CB . GLU A 1 344 ? 80.361 92.060 63.705 1.00 23.56 ? 425 GLU A CB 1 ATOM 3315 C CG . GLU A 1 344 ? 80.832 91.363 64.970 1.00 25.04 ? 425 GLU A CG 1 ATOM 3316 C CD . GLU A 1 344 ? 82.285 90.945 64.958 1.00 26.25 ? 425 GLU A CD 1 ATOM 3317 O OE1 . GLU A 1 344 ? 83.125 91.686 64.472 1.00 27.10 ? 425 GLU A OE1 1 ATOM 3318 O OE2 . GLU A 1 344 ? 82.599 89.869 65.449 1.00 26.65 ? 425 GLU A OE2 1 ATOM 3319 H H . GLU A 1 344 ? 79.428 93.997 62.462 1.00 0.00 ? 425 GLU A H 1 ATOM 3320 N N . LEU A 1 345 ? 77.768 92.361 65.848 1.00 23.79 ? 426 LEU A N 1 ATOM 3321 C CA . LEU A 1 345 ? 77.349 92.924 67.123 1.00 25.34 ? 426 LEU A CA 1 ATOM 3322 C C . LEU A 1 345 ? 78.042 91.998 68.087 1.00 26.49 ? 426 LEU A C 1 ATOM 3323 O O . LEU A 1 345 ? 77.513 90.893 68.334 1.00 26.69 ? 426 LEU A O 1 ATOM 3324 C CB . LEU A 1 345 ? 75.818 92.829 67.230 1.00 25.31 ? 426 LEU A CB 1 ATOM 3325 C CG . LEU A 1 345 ? 75.022 93.162 65.953 1.00 25.94 ? 426 LEU A CG 1 ATOM 3326 C CD1 . LEU A 1 345 ? 73.575 92.774 66.165 1.00 26.38 ? 426 LEU A CD1 1 ATOM 3327 C CD2 . LEU A 1 345 ? 75.165 94.645 65.603 1.00 24.70 ? 426 LEU A CD2 1 ATOM 3328 H H . LEU A 1 345 ? 77.472 91.458 65.604 1.00 0.00 ? 426 LEU A H 1 ATOM 3329 N N . ILE A 1 346 ? 79.223 92.379 68.590 1.00 26.19 ? 427 ILE A N 1 ATOM 3330 C CA . ILE A 1 346 ? 79.873 91.436 69.472 1.00 26.73 ? 427 ILE A CA 1 ATOM 3331 C C . ILE A 1 346 ? 79.313 91.581 70.888 1.00 27.26 ? 427 ILE A C 1 ATOM 3332 O O . ILE A 1 346 ? 78.709 92.584 71.259 1.00 29.27 ? 427 ILE A O 1 ATOM 3333 C CB . ILE A 1 346 ? 81.519 91.558 69.330 1.00 25.53 ? 427 ILE A CB 1 ATOM 3334 C CG1 . ILE A 1 346 ? 82.135 92.009 70.587 1.00 26.77 ? 427 ILE A CG1 1 ATOM 3335 C CG2 . ILE A 1 346 ? 81.993 92.536 68.299 1.00 23.23 ? 427 ILE A CG2 1 ATOM 3336 C CD1 . ILE A 1 346 ? 82.592 90.823 71.458 1.00 29.55 ? 427 ILE A CD1 1 ATOM 3337 H H . ILE A 1 346 ? 79.537 93.309 68.544 1.00 0.00 ? 427 ILE A H 1 ATOM 3338 N N . ARG A 1 347 ? 79.361 90.489 71.641 1.00 27.62 ? 428 ARG A N 1 ATOM 3339 C CA . ARG A 1 347 ? 78.870 90.396 72.998 1.00 28.21 ? 428 ARG A CA 1 ATOM 3340 C C . ARG A 1 347 ? 79.885 89.585 73.744 1.00 29.32 ? 428 ARG A C 1 ATOM 3341 O O . ARG A 1 347 ? 80.582 88.746 73.158 1.00 29.73 ? 428 ARG A O 1 ATOM 3342 C CB . ARG A 1 347 ? 77.555 89.626 73.091 1.00 28.69 ? 428 ARG A CB 1 ATOM 3343 C CG . ARG A 1 347 ? 76.389 90.251 72.367 1.00 28.14 ? 428 ARG A CG 1 ATOM 3344 C CD . ARG A 1 347 ? 76.184 91.631 72.984 1.00 28.32 ? 428 ARG A CD 1 ATOM 3345 N NE . ARG A 1 347 ? 74.796 91.726 73.316 1.00 28.43 ? 428 ARG A NE 1 ATOM 3346 C CZ . ARG A 1 347 ? 74.308 91.650 74.546 1.00 28.13 ? 428 ARG A CZ 1 ATOM 3347 N NH1 . ARG A 1 347 ? 75.002 91.535 75.660 1.00 26.78 ? 428 ARG A NH1 1 ATOM 3348 N NH2 . ARG A 1 347 ? 73.019 91.737 74.647 1.00 28.43 ? 428 ARG A NH2 1 ATOM 3349 H H . ARG A 1 347 ? 79.803 89.693 71.283 1.00 0.00 ? 428 ARG A H 1 ATOM 3350 H HE . ARG A 1 347 ? 74.165 91.873 72.581 1.00 0.00 ? 428 ARG A HE 1 ATOM 3351 H HH11 . ARG A 1 347 ? 75.998 91.478 75.622 1.00 0.00 ? 428 ARG A HH11 1 ATOM 3352 H HH12 . ARG A 1 347 ? 74.532 91.501 76.542 1.00 0.00 ? 428 ARG A HH12 1 ATOM 3353 H HH21 . ARG A 1 347 ? 72.453 91.840 73.828 1.00 0.00 ? 428 ARG A HH21 1 ATOM 3354 H HH22 . ARG A 1 347 ? 72.598 91.709 75.552 1.00 0.00 ? 428 ARG A HH22 1 ATOM 3355 N N . GLY A 1 348 ? 79.873 89.771 75.046 1.00 30.29 ? 429 GLY A N 1 ATOM 3356 C CA . GLY A 1 348 ? 80.782 89.024 75.886 1.00 33.51 ? 429 GLY A CA 1 ATOM 3357 C C . GLY A 1 348 ? 81.989 89.836 76.330 1.00 35.76 ? 429 GLY A C 1 ATOM 3358 O O . GLY A 1 348 ? 82.019 91.072 76.336 1.00 35.01 ? 429 GLY A O 1 ATOM 3359 H H . GLY A 1 348 ? 79.335 90.485 75.436 1.00 0.00 ? 429 GLY A H 1 ATOM 3360 N N . ARG A 1 349 ? 83.006 89.104 76.727 1.00 37.26 ? 430 ARG A N 1 ATOM 3361 C CA . ARG A 1 349 ? 84.204 89.715 77.201 1.00 38.73 ? 430 ARG A CA 1 ATOM 3362 C C . ARG A 1 349 ? 84.989 90.442 76.114 1.00 39.77 ? 430 ARG A C 1 ATOM 3363 O O . ARG A 1 349 ? 84.832 90.202 74.923 1.00 39.69 ? 430 ARG A O 1 ATOM 3364 C CB . ARG A 1 349 ? 84.970 88.608 77.886 1.00 39.55 ? 430 ARG A CB 1 ATOM 3365 C CG . ARG A 1 349 ? 84.202 88.353 79.161 1.00 40.62 ? 430 ARG A CG 1 ATOM 3366 C CD . ARG A 1 349 ? 85.156 87.976 80.243 1.00 42.65 ? 430 ARG A CD 1 ATOM 3367 N NE . ARG A 1 349 ? 84.481 87.830 81.521 1.00 44.84 ? 430 ARG A NE 1 ATOM 3368 C CZ . ARG A 1 349 ? 85.190 87.683 82.640 1.00 46.05 ? 430 ARG A CZ 1 ATOM 3369 N NH1 . ARG A 1 349 ? 86.523 87.678 82.597 1.00 48.15 ? 430 ARG A NH1 1 ATOM 3370 N NH2 . ARG A 1 349 ? 84.593 87.543 83.823 1.00 46.29 ? 430 ARG A NH2 1 ATOM 3371 H H . ARG A 1 349 ? 82.957 88.135 76.642 1.00 0.00 ? 430 ARG A H 1 ATOM 3372 H HE . ARG A 1 349 ? 83.504 87.819 81.562 1.00 0.00 ? 430 ARG A HE 1 ATOM 3373 H HH11 . ARG A 1 349 ? 86.998 87.798 81.725 1.00 0.00 ? 430 ARG A HH11 1 ATOM 3374 H HH12 . ARG A 1 349 ? 87.060 87.602 83.436 1.00 0.00 ? 430 ARG A HH12 1 ATOM 3375 H HH21 . ARG A 1 349 ? 83.597 87.550 83.896 1.00 0.00 ? 430 ARG A HH21 1 ATOM 3376 H HH22 . ARG A 1 349 ? 85.161 87.461 84.642 1.00 0.00 ? 430 ARG A HH22 1 ATOM 3377 N N . LYS A 1 350 ? 85.795 91.465 76.387 1.00 41.64 ? 431 LYS A N 1 ATOM 3378 C CA . LYS A 1 350 ? 86.011 91.989 77.730 1.00 43.06 ? 431 LYS A CA 1 ATOM 3379 C C . LYS A 1 350 ? 84.993 92.976 78.266 1.00 42.27 ? 431 LYS A C 1 ATOM 3380 O O . LYS A 1 350 ? 84.834 93.063 79.484 1.00 41.17 ? 431 LYS A O 1 ATOM 3381 C CB . LYS A 1 350 ? 87.389 92.617 77.775 1.00 45.13 ? 431 LYS A CB 1 ATOM 3382 C CG . LYS A 1 350 ? 88.396 91.521 77.989 1.00 47.89 ? 431 LYS A CG 1 ATOM 3383 C CD . LYS A 1 350 ? 89.786 91.865 77.501 1.00 50.33 ? 431 LYS A CD 1 ATOM 3384 C CE . LYS A 1 350 ? 90.670 90.860 78.248 1.00 52.96 ? 431 LYS A CE 1 ATOM 3385 N NZ . LYS A 1 350 ? 92.020 90.764 77.714 1.00 55.18 ? 431 LYS A NZ 1 ATOM 3386 H H . LYS A 1 350 ? 86.268 91.854 75.629 1.00 0.00 ? 431 LYS A H 1 ATOM 3387 H HZ1 . LYS A 1 350 ? 92.426 91.718 77.629 1.00 0.00 ? 431 LYS A HZ1 1 ATOM 3388 H HZ2 . LYS A 1 350 ? 92.602 90.204 78.370 1.00 0.00 ? 431 LYS A HZ2 1 ATOM 3389 H HZ3 . LYS A 1 350 ? 92.003 90.301 76.784 1.00 0.00 ? 431 LYS A HZ3 1 ATOM 3390 N N . GLN A 1 351 ? 84.259 93.644 77.369 1.00 42.90 ? 432 GLN A N 1 ATOM 3391 C CA . GLN A 1 351 ? 83.280 94.635 77.774 1.00 43.41 ? 432 GLN A CA 1 ATOM 3392 C C . GLN A 1 351 ? 82.201 94.086 78.697 1.00 43.08 ? 432 GLN A C 1 ATOM 3393 O O . GLN A 1 351 ? 82.005 94.678 79.757 1.00 43.96 ? 432 GLN A O 1 ATOM 3394 C CB . GLN A 1 351 ? 82.658 95.258 76.525 1.00 45.31 ? 432 GLN A CB 1 ATOM 3395 C CG . GLN A 1 351 ? 81.831 96.500 76.866 1.00 48.86 ? 432 GLN A CG 1 ATOM 3396 C CD . GLN A 1 351 ? 81.441 97.450 75.723 1.00 51.25 ? 432 GLN A CD 1 ATOM 3397 O OE1 . GLN A 1 351 ? 82.034 97.527 74.635 1.00 52.55 ? 432 GLN A OE1 1 ATOM 3398 N NE2 . GLN A 1 351 ? 80.405 98.250 75.964 1.00 52.58 ? 432 GLN A NE2 1 ATOM 3399 H H . GLN A 1 351 ? 84.308 93.377 76.429 1.00 0.00 ? 432 GLN A H 1 ATOM 3400 H HE21 . GLN A 1 351 ? 80.143 98.865 75.247 1.00 0.00 ? 432 GLN A HE21 1 ATOM 3401 H HE22 . GLN A 1 351 ? 79.961 98.190 76.834 1.00 0.00 ? 432 GLN A HE22 1 ATOM 3402 N N . GLU A 1 352 ? 81.497 92.995 78.390 1.00 41.93 ? 433 GLU A N 1 ATOM 3403 C CA . GLU A 1 352 ? 80.468 92.477 79.278 1.00 40.63 ? 433 GLU A CA 1 ATOM 3404 C C . GLU A 1 352 ? 81.166 91.346 79.967 1.00 40.61 ? 433 GLU A C 1 ATOM 3405 O O . GLU A 1 352 ? 81.692 90.428 79.358 1.00 42.01 ? 433 GLU A O 1 ATOM 3406 C CB . GLU A 1 352 ? 79.311 91.991 78.493 1.00 40.29 ? 433 GLU A CB 1 ATOM 3407 C CG . GLU A 1 352 ? 78.807 93.191 77.756 1.00 40.15 ? 433 GLU A CG 1 ATOM 3408 C CD . GLU A 1 352 ? 77.611 92.861 76.914 1.00 40.05 ? 433 GLU A CD 1 ATOM 3409 O OE1 . GLU A 1 352 ? 77.790 92.340 75.819 1.00 40.77 ? 433 GLU A OE1 1 ATOM 3410 O OE2 . GLU A 1 352 ? 76.508 93.136 77.365 1.00 40.47 ? 433 GLU A OE2 1 ATOM 3411 H H . GLU A 1 352 ? 81.750 92.454 77.615 1.00 0.00 ? 433 GLU A H 1 ATOM 3412 N N . THR A 1 353 ? 81.104 91.455 81.260 1.00 41.36 ? 434 THR A N 1 ATOM 3413 C CA . THR A 1 353 ? 81.745 90.607 82.239 1.00 41.67 ? 434 THR A CA 1 ATOM 3414 C C . THR A 1 353 ? 81.025 89.475 82.958 1.00 41.25 ? 434 THR A C 1 ATOM 3415 O O . THR A 1 353 ? 81.665 88.691 83.658 1.00 41.68 ? 434 THR A O 1 ATOM 3416 C CB . THR A 1 353 ? 82.330 91.759 83.118 1.00 42.59 ? 434 THR A CB 1 ATOM 3417 O OG1 . THR A 1 353 ? 83.678 91.880 82.674 1.00 44.60 ? 434 THR A OG1 1 ATOM 3418 C CG2 . THR A 1 353 ? 82.145 91.603 84.617 1.00 42.94 ? 434 THR A CG2 1 ATOM 3419 H H . THR A 1 353 ? 80.524 92.169 81.604 1.00 0.00 ? 434 THR A H 1 ATOM 3420 H HG1 . THR A 1 353 ? 83.739 92.354 81.830 1.00 0.00 ? 434 THR A HG1 1 ATOM 3421 N N . ARG A 1 354 ? 79.703 89.378 82.880 1.00 40.49 ? 435 ARG A N 1 ATOM 3422 C CA . ARG A 1 354 ? 78.977 88.328 83.577 1.00 40.08 ? 435 ARG A CA 1 ATOM 3423 C C . ARG A 1 354 ? 79.373 86.941 83.104 1.00 39.57 ? 435 ARG A C 1 ATOM 3424 O O . ARG A 1 354 ? 79.597 86.032 83.896 1.00 40.18 ? 435 ARG A O 1 ATOM 3425 C CB . ARG A 1 354 ? 77.465 88.489 83.380 1.00 40.21 ? 435 ARG A CB 1 ATOM 3426 C CG . ARG A 1 354 ? 76.747 87.809 84.533 1.00 40.83 ? 435 ARG A CG 1 ATOM 3427 C CD . ARG A 1 354 ? 75.246 87.923 84.447 1.00 41.53 ? 435 ARG A CD 1 ATOM 3428 N NE . ARG A 1 354 ? 74.809 87.085 83.368 1.00 42.81 ? 435 ARG A NE 1 ATOM 3429 C CZ . ARG A 1 354 ? 74.397 85.837 83.565 1.00 42.93 ? 435 ARG A CZ 1 ATOM 3430 N NH1 . ARG A 1 354 ? 74.321 85.280 84.769 1.00 42.82 ? 435 ARG A NH1 1 ATOM 3431 N NH2 . ARG A 1 354 ? 74.028 85.146 82.508 1.00 43.41 ? 435 ARG A NH2 1 ATOM 3432 H H . ARG A 1 354 ? 79.211 90.032 82.347 1.00 0.00 ? 435 ARG A H 1 ATOM 3433 H HE . ARG A 1 354 ? 74.868 87.436 82.459 1.00 0.00 ? 435 ARG A HE 1 ATOM 3434 H HH11 . ARG A 1 354 ? 74.589 85.789 85.586 1.00 0.00 ? 435 ARG A HH11 1 ATOM 3435 H HH12 . ARG A 1 354 ? 74.010 84.334 84.852 1.00 0.00 ? 435 ARG A HH12 1 ATOM 3436 H HH21 . ARG A 1 354 ? 74.046 85.561 81.598 1.00 0.00 ? 435 ARG A HH21 1 ATOM 3437 H HH22 . ARG A 1 354 ? 73.694 84.213 82.626 1.00 0.00 ? 435 ARG A HH22 1 ATOM 3438 N N . VAL A 1 355 ? 79.464 86.889 81.779 1.00 38.07 ? 436 VAL A N 1 ATOM 3439 C CA . VAL A 1 355 ? 79.803 85.696 81.047 1.00 36.44 ? 436 VAL A CA 1 ATOM 3440 C C . VAL A 1 355 ? 81.287 85.657 80.775 1.00 35.13 ? 436 VAL A C 1 ATOM 3441 O O . VAL A 1 355 ? 81.931 86.697 80.726 1.00 35.42 ? 436 VAL A O 1 ATOM 3442 C CB . VAL A 1 355 ? 79.034 85.675 79.711 1.00 36.85 ? 436 VAL A CB 1 ATOM 3443 C CG1 . VAL A 1 355 ? 77.546 85.704 80.040 1.00 36.87 ? 436 VAL A CG1 1 ATOM 3444 C CG2 . VAL A 1 355 ? 79.451 86.835 78.793 1.00 36.20 ? 436 VAL A CG2 1 ATOM 3445 H H . VAL A 1 355 ? 79.394 87.723 81.284 1.00 0.00 ? 436 VAL A H 1 ATOM 3446 N N . TRP A 1 356 ? 81.836 84.483 80.505 1.00 33.16 ? 437 TRP A N 1 ATOM 3447 C CA . TRP A 1 356 ? 83.251 84.352 80.206 1.00 30.63 ? 437 TRP A CA 1 ATOM 3448 C C . TRP A 1 356 ? 83.586 84.135 78.758 1.00 29.11 ? 437 TRP A C 1 ATOM 3449 O O . TRP A 1 356 ? 84.758 83.943 78.416 1.00 30.55 ? 437 TRP A O 1 ATOM 3450 C CB . TRP A 1 356 ? 83.843 83.219 80.949 1.00 31.24 ? 437 TRP A CB 1 ATOM 3451 C CG . TRP A 1 356 ? 83.922 83.535 82.419 1.00 32.57 ? 437 TRP A CG 1 ATOM 3452 C CD1 . TRP A 1 356 ? 82.835 83.390 83.226 1.00 33.06 ? 437 TRP A CD1 1 ATOM 3453 C CD2 . TRP A 1 356 ? 85.052 83.894 83.095 1.00 33.66 ? 437 TRP A CD2 1 ATOM 3454 N NE1 . TRP A 1 356 ? 83.277 83.635 84.426 1.00 34.39 ? 437 TRP A NE1 1 ATOM 3455 C CE2 . TRP A 1 356 ? 84.587 83.941 84.400 1.00 34.15 ? 437 TRP A CE2 1 ATOM 3456 C CE3 . TRP A 1 356 ? 86.370 84.173 82.794 1.00 34.58 ? 437 TRP A CE3 1 ATOM 3457 C CZ2 . TRP A 1 356 ? 85.433 84.267 85.436 1.00 34.22 ? 437 TRP A CZ2 1 ATOM 3458 C CZ3 . TRP A 1 356 ? 87.218 84.504 83.833 1.00 34.00 ? 437 TRP A CZ3 1 ATOM 3459 C CH2 . TRP A 1 356 ? 86.753 84.548 85.134 1.00 34.41 ? 437 TRP A CH2 1 ATOM 3460 H H . TRP A 1 356 ? 81.268 83.701 80.640 1.00 0.00 ? 437 TRP A H 1 ATOM 3461 H HE1 . TRP A 1 356 ? 82.681 83.632 85.204 1.00 0.00 ? 437 TRP A HE1 1 ATOM 3462 N N . TRP A 1 357 ? 82.603 84.208 77.870 1.00 27.80 ? 438 TRP A N 1 ATOM 3463 C CA . TRP A 1 357 ? 82.817 83.985 76.444 1.00 25.72 ? 438 TRP A CA 1 ATOM 3464 C C . TRP A 1 357 ? 82.793 85.301 75.692 1.00 25.66 ? 438 TRP A C 1 ATOM 3465 O O . TRP A 1 357 ? 82.477 86.346 76.259 1.00 26.22 ? 438 TRP A O 1 ATOM 3466 C CB . TRP A 1 357 ? 81.703 83.035 75.885 1.00 24.14 ? 438 TRP A CB 1 ATOM 3467 C CG . TRP A 1 357 ? 80.270 83.411 76.255 1.00 23.24 ? 438 TRP A CG 1 ATOM 3468 C CD1 . TRP A 1 357 ? 79.684 82.823 77.332 1.00 23.17 ? 438 TRP A CD1 1 ATOM 3469 C CD2 . TRP A 1 357 ? 79.432 84.335 75.647 1.00 23.00 ? 438 TRP A CD2 1 ATOM 3470 N NE1 . TRP A 1 357 ? 78.490 83.356 77.438 1.00 22.42 ? 438 TRP A NE1 1 ATOM 3471 C CE2 . TRP A 1 357 ? 78.301 84.260 76.457 1.00 23.01 ? 438 TRP A CE2 1 ATOM 3472 C CE3 . TRP A 1 357 ? 79.457 85.211 74.569 1.00 22.10 ? 438 TRP A CE3 1 ATOM 3473 C CZ2 . TRP A 1 357 ? 77.194 85.048 76.202 1.00 22.18 ? 438 TRP A CZ2 1 ATOM 3474 C CZ3 . TRP A 1 357 ? 78.355 85.996 74.317 1.00 21.57 ? 438 TRP A CZ3 1 ATOM 3475 C CH2 . TRP A 1 357 ? 77.239 85.913 75.130 1.00 22.18 ? 438 TRP A CH2 1 ATOM 3476 H H . TRP A 1 357 ? 81.741 84.564 78.156 1.00 0.00 ? 438 TRP A H 1 ATOM 3477 H HE1 . TRP A 1 357 ? 77.833 83.108 78.133 1.00 0.00 ? 438 TRP A HE1 1 ATOM 3478 N N . THR A 1 358 ? 83.055 85.265 74.401 1.00 25.28 ? 439 THR A N 1 ATOM 3479 C CA . THR A 1 358 ? 83.022 86.438 73.559 1.00 24.74 ? 439 THR A CA 1 ATOM 3480 C C . THR A 1 358 ? 82.388 85.862 72.308 1.00 25.92 ? 439 THR A C 1 ATOM 3481 O O . THR A 1 358 ? 82.806 84.771 71.919 1.00 28.11 ? 439 THR A O 1 ATOM 3482 C CB . THR A 1 358 ? 84.443 86.914 73.270 1.00 23.54 ? 439 THR A CB 1 ATOM 3483 O OG1 . THR A 1 358 ? 85.079 87.115 74.532 1.00 24.24 ? 439 THR A OG1 1 ATOM 3484 C CG2 . THR A 1 358 ? 84.461 88.105 72.386 1.00 22.66 ? 439 THR A CG2 1 ATOM 3485 H H . THR A 1 358 ? 83.314 84.418 73.965 1.00 0.00 ? 439 THR A H 1 ATOM 3486 H HG1 . THR A 1 358 ? 85.138 86.225 74.902 1.00 0.00 ? 439 THR A HG1 1 ATOM 3487 N N . SER A 1 359 ? 81.386 86.452 71.659 1.00 27.18 ? 440 SER A N 1 ATOM 3488 C CA . SER A 1 359 ? 80.788 85.915 70.435 1.00 25.67 ? 440 SER A CA 1 ATOM 3489 C C . SER A 1 359 ? 80.081 87.072 69.726 1.00 23.83 ? 440 SER A C 1 ATOM 3490 O O . SER A 1 359 ? 80.153 88.198 70.205 1.00 25.06 ? 440 SER A O 1 ATOM 3491 C CB . SER A 1 359 ? 79.768 84.820 70.759 1.00 26.94 ? 440 SER A CB 1 ATOM 3492 O OG . SER A 1 359 ? 79.578 84.060 69.567 1.00 28.10 ? 440 SER A OG 1 ATOM 3493 H H . SER A 1 359 ? 81.063 87.327 71.965 1.00 0.00 ? 440 SER A H 1 ATOM 3494 H HG . SER A 1 359 ? 80.464 83.723 69.406 1.00 0.00 ? 440 SER A HG 1 ATOM 3495 N N . ASN A 1 360 ? 79.402 86.895 68.619 1.00 22.19 ? 441 ASN A N 1 ATOM 3496 C CA . ASN A 1 360 ? 78.726 87.951 67.925 1.00 21.39 ? 441 ASN A CA 1 ATOM 3497 C C . ASN A 1 360 ? 77.464 87.433 67.213 1.00 24.43 ? 441 ASN A C 1 ATOM 3498 O O . ASN A 1 360 ? 77.169 86.216 67.213 1.00 25.37 ? 441 ASN A O 1 ATOM 3499 C CB . ASN A 1 360 ? 79.603 88.534 66.861 1.00 19.27 ? 441 ASN A CB 1 ATOM 3500 C CG . ASN A 1 360 ? 79.737 87.625 65.641 1.00 20.78 ? 441 ASN A CG 1 ATOM 3501 O OD1 . ASN A 1 360 ? 80.456 86.632 65.692 1.00 21.01 ? 441 ASN A OD1 1 ATOM 3502 N ND2 . ASN A 1 360 ? 79.145 87.892 64.476 1.00 20.20 ? 441 ASN A ND2 1 ATOM 3503 H H . ASN A 1 360 ? 79.294 85.982 68.265 1.00 0.00 ? 441 ASN A H 1 ATOM 3504 H HD21 . ASN A 1 360 ? 79.183 87.184 63.798 1.00 0.00 ? 441 ASN A HD21 1 ATOM 3505 H HD22 . ASN A 1 360 ? 78.635 88.722 64.370 1.00 0.00 ? 441 ASN A HD22 1 ATOM 3506 N N . SER A 1 361 ? 76.623 88.379 66.722 1.00 22.98 ? 442 SER A N 1 ATOM 3507 C CA . SER A 1 361 ? 75.484 87.993 65.899 1.00 20.19 ? 442 SER A CA 1 ATOM 3508 C C . SER A 1 361 ? 75.587 88.958 64.734 1.00 19.21 ? 442 SER A C 1 ATOM 3509 O O . SER A 1 361 ? 76.537 89.741 64.677 1.00 18.89 ? 442 SER A O 1 ATOM 3510 C CB . SER A 1 361 ? 74.157 88.136 66.597 1.00 18.27 ? 442 SER A CB 1 ATOM 3511 O OG . SER A 1 361 ? 73.770 89.337 67.206 1.00 19.15 ? 442 SER A OG 1 ATOM 3512 H H . SER A 1 361 ? 76.742 89.328 66.947 1.00 0.00 ? 442 SER A H 1 ATOM 3513 H HG . SER A 1 361 ? 73.676 90.017 66.533 1.00 0.00 ? 442 SER A HG 1 ATOM 3514 N N . ILE A 1 362 ? 74.768 88.954 63.716 1.00 18.08 ? 443 ILE A N 1 ATOM 3515 C CA . ILE A 1 362 ? 74.953 89.902 62.660 1.00 16.77 ? 443 ILE A CA 1 ATOM 3516 C C . ILE A 1 362 ? 73.580 90.479 62.355 1.00 19.25 ? 443 ILE A C 1 ATOM 3517 O O . ILE A 1 362 ? 72.528 89.938 62.772 1.00 18.56 ? 443 ILE A O 1 ATOM 3518 C CB . ILE A 1 362 ? 75.519 89.245 61.356 1.00 16.43 ? 443 ILE A CB 1 ATOM 3519 C CG1 . ILE A 1 362 ? 74.641 88.229 60.696 1.00 13.04 ? 443 ILE A CG1 1 ATOM 3520 C CG2 . ILE A 1 362 ? 76.696 88.434 61.746 1.00 17.16 ? 443 ILE A CG2 1 ATOM 3521 C CD1 . ILE A 1 362 ? 75.037 88.217 59.217 1.00 12.50 ? 443 ILE A CD1 1 ATOM 3522 H H . ILE A 1 362 ? 73.981 88.380 63.694 1.00 0.00 ? 443 ILE A H 1 ATOM 3523 N N . VAL A 1 363 ? 73.633 91.605 61.647 1.00 17.78 ? 444 VAL A N 1 ATOM 3524 C CA . VAL A 1 363 ? 72.475 92.314 61.160 1.00 16.86 ? 444 VAL A CA 1 ATOM 3525 C C . VAL A 1 363 ? 73.008 92.760 59.810 1.00 15.23 ? 444 VAL A C 1 ATOM 3526 O O . VAL A 1 363 ? 74.202 92.988 59.695 1.00 16.27 ? 444 VAL A O 1 ATOM 3527 C CB . VAL A 1 363 ? 72.101 93.454 62.176 1.00 18.64 ? 444 VAL A CB 1 ATOM 3528 C CG1 . VAL A 1 363 ? 73.138 94.562 62.283 1.00 20.27 ? 444 VAL A CG1 1 ATOM 3529 C CG2 . VAL A 1 363 ? 70.765 94.021 61.716 1.00 17.95 ? 444 VAL A CG2 1 ATOM 3530 H H . VAL A 1 363 ? 74.517 91.982 61.442 1.00 0.00 ? 444 VAL A H 1 ATOM 3531 N N . VAL A 1 364 ? 72.273 92.798 58.714 1.00 15.32 ? 445 VAL A N 1 ATOM 3532 C CA . VAL A 1 364 ? 72.808 93.211 57.432 1.00 14.84 ? 445 VAL A CA 1 ATOM 3533 C C . VAL A 1 364 ? 71.738 94.013 56.738 1.00 17.12 ? 445 VAL A C 1 ATOM 3534 O O . VAL A 1 364 ? 70.546 93.737 56.900 1.00 19.74 ? 445 VAL A O 1 ATOM 3535 C CB . VAL A 1 364 ? 73.322 91.937 56.578 1.00 15.65 ? 445 VAL A CB 1 ATOM 3536 C CG1 . VAL A 1 364 ? 72.940 90.630 57.229 1.00 14.75 ? 445 VAL A CG1 1 ATOM 3537 C CG2 . VAL A 1 364 ? 72.849 92.010 55.149 1.00 13.88 ? 445 VAL A CG2 1 ATOM 3538 H H . VAL A 1 364 ? 71.317 92.582 58.767 1.00 0.00 ? 445 VAL A H 1 ATOM 3539 N N . PHE A 1 365 ? 72.143 95.040 55.996 1.00 17.06 ? 446 PHE A N 1 ATOM 3540 C CA . PHE A 1 365 ? 71.253 95.949 55.298 1.00 16.59 ? 446 PHE A CA 1 ATOM 3541 C C . PHE A 1 365 ? 71.674 96.052 53.866 1.00 17.62 ? 446 PHE A C 1 ATOM 3542 O O . PHE A 1 365 ? 72.853 95.824 53.580 1.00 20.35 ? 446 PHE A O 1 ATOM 3543 C CB . PHE A 1 365 ? 71.326 97.350 55.901 1.00 15.14 ? 446 PHE A CB 1 ATOM 3544 C CG . PHE A 1 365 ? 70.467 97.544 57.129 1.00 14.19 ? 446 PHE A CG 1 ATOM 3545 C CD1 . PHE A 1 365 ? 70.656 96.765 58.247 1.00 13.69 ? 446 PHE A CD1 1 ATOM 3546 C CD2 . PHE A 1 365 ? 69.449 98.486 57.075 1.00 13.35 ? 446 PHE A CD2 1 ATOM 3547 C CE1 . PHE A 1 365 ? 69.805 96.922 59.320 1.00 15.14 ? 446 PHE A CE1 1 ATOM 3548 C CE2 . PHE A 1 365 ? 68.606 98.647 58.144 1.00 12.09 ? 446 PHE A CE2 1 ATOM 3549 C CZ . PHE A 1 365 ? 68.783 97.863 59.264 1.00 14.85 ? 446 PHE A CZ 1 ATOM 3550 H H . PHE A 1 365 ? 73.108 95.147 55.845 1.00 0.00 ? 446 PHE A H 1 ATOM 3551 N N . CYS A 1 366 ? 70.802 96.395 52.938 1.00 18.08 ? 447 CYS A N 1 ATOM 3552 C CA . CYS A 1 366 ? 71.252 96.519 51.571 1.00 20.20 ? 447 CYS A CA 1 ATOM 3553 C C . CYS A 1 366 ? 70.843 97.855 51.054 1.00 22.44 ? 447 CYS A C 1 ATOM 3554 O O . CYS A 1 366 ? 69.928 98.476 51.597 1.00 24.20 ? 447 CYS A O 1 ATOM 3555 C CB . CYS A 1 366 ? 70.682 95.447 50.637 1.00 19.32 ? 447 CYS A CB 1 ATOM 3556 S SG . CYS A 1 366 ? 71.757 93.981 50.682 1.00 20.34 ? 447 CYS A SG 1 ATOM 3557 H H . CYS A 1 366 ? 69.883 96.646 53.176 1.00 0.00 ? 447 CYS A H 1 ATOM 3558 N N . GLY A 1 367 ? 71.572 98.357 50.065 1.00 25.05 ? 448 GLY A N 1 ATOM 3559 C CA . GLY A 1 367 ? 71.214 99.645 49.521 1.00 26.96 ? 448 GLY A CA 1 ATOM 3560 C C . GLY A 1 367 ? 69.833 99.588 48.895 1.00 26.85 ? 448 GLY A C 1 ATOM 3561 O O . GLY A 1 367 ? 69.405 98.551 48.391 1.00 27.23 ? 448 GLY A O 1 ATOM 3562 H H . GLY A 1 367 ? 72.320 97.849 49.683 1.00 0.00 ? 448 GLY A H 1 ATOM 3563 N N . THR A 1 368 ? 69.148 100.719 48.912 1.00 27.48 ? 449 THR A N 1 ATOM 3564 C CA . THR A 1 368 ? 67.828 100.840 48.335 1.00 27.57 ? 449 THR A CA 1 ATOM 3565 C C . THR A 1 368 ? 67.771 102.183 47.658 1.00 27.67 ? 449 THR A C 1 ATOM 3566 O O . THR A 1 368 ? 68.476 103.107 48.090 1.00 29.01 ? 449 THR A O 1 ATOM 3567 C CB . THR A 1 368 ? 66.712 100.760 49.412 1.00 27.01 ? 449 THR A CB 1 ATOM 3568 O OG1 . THR A 1 368 ? 65.560 100.881 48.597 1.00 27.71 ? 449 THR A OG1 1 ATOM 3569 C CG2 . THR A 1 368 ? 66.680 101.791 50.536 1.00 26.62 ? 449 THR A CG2 1 ATOM 3570 H H . THR A 1 368 ? 69.536 101.512 49.334 1.00 0.00 ? 449 THR A H 1 ATOM 3571 H HG1 . THR A 1 368 ? 64.855 100.439 49.076 1.00 0.00 ? 449 THR A HG1 1 ATOM 3572 N N . SER A 1 369 ? 66.994 102.230 46.577 1.00 26.46 ? 450 SER A N 1 ATOM 3573 C CA . SER A 1 369 ? 66.780 103.442 45.839 1.00 26.30 ? 450 SER A CA 1 ATOM 3574 C C . SER A 1 369 ? 65.346 103.931 46.125 1.00 27.40 ? 450 SER A C 1 ATOM 3575 O O . SER A 1 369 ? 64.839 104.897 45.535 1.00 29.49 ? 450 SER A O 1 ATOM 3576 C CB . SER A 1 369 ? 66.951 103.156 44.394 1.00 26.31 ? 450 SER A CB 1 ATOM 3577 O OG . SER A 1 369 ? 66.022 102.150 44.035 1.00 29.40 ? 450 SER A OG 1 ATOM 3578 H H . SER A 1 369 ? 66.536 101.432 46.247 1.00 0.00 ? 450 SER A H 1 ATOM 3579 H HG . SER A 1 369 ? 66.048 102.041 43.083 1.00 0.00 ? 450 SER A HG 1 ATOM 3580 N N . GLY A 1 370 ? 64.649 103.229 47.025 1.00 26.10 ? 451 GLY A N 1 ATOM 3581 C CA . GLY A 1 370 ? 63.299 103.547 47.395 1.00 22.99 ? 451 GLY A CA 1 ATOM 3582 C C . GLY A 1 370 ? 63.319 104.302 48.683 1.00 20.84 ? 451 GLY A C 1 ATOM 3583 O O . GLY A 1 370 ? 64.328 104.885 49.031 1.00 21.79 ? 451 GLY A O 1 ATOM 3584 H H . GLY A 1 370 ? 65.103 102.527 47.532 1.00 0.00 ? 451 GLY A H 1 ATOM 3585 N N . THR A 1 371 ? 62.259 104.196 49.452 1.00 19.02 ? 452 THR A N 1 ATOM 3586 C CA . THR A 1 371 ? 62.101 104.906 50.709 1.00 19.35 ? 452 THR A CA 1 ATOM 3587 C C . THR A 1 371 ? 62.294 103.995 51.875 1.00 16.58 ? 452 THR A C 1 ATOM 3588 O O . THR A 1 371 ? 62.177 102.796 51.692 1.00 17.66 ? 452 THR A O 1 ATOM 3589 C CB . THR A 1 371 ? 60.704 105.496 50.826 1.00 21.41 ? 452 THR A CB 1 ATOM 3590 O OG1 . THR A 1 371 ? 60.213 105.801 49.527 1.00 24.10 ? 452 THR A OG1 1 ATOM 3591 C CG2 . THR A 1 371 ? 60.743 106.723 51.684 1.00 25.09 ? 452 THR A CG2 1 ATOM 3592 H H . THR A 1 371 ? 61.545 103.581 49.186 1.00 0.00 ? 452 THR A H 1 ATOM 3593 H HG1 . THR A 1 371 ? 60.882 106.233 48.985 1.00 0.00 ? 452 THR A HG1 1 ATOM 3594 N N . TYR A 1 372 ? 62.426 104.507 53.081 1.00 14.19 ? 453 TYR A N 1 ATOM 3595 C CA . TYR A 1 372 ? 62.658 103.718 54.245 1.00 14.63 ? 453 TYR A CA 1 ATOM 3596 C C . TYR A 1 372 ? 62.262 104.552 55.444 1.00 14.56 ? 453 TYR A C 1 ATOM 3597 O O . TYR A 1 372 ? 62.050 105.744 55.312 1.00 17.91 ? 453 TYR A O 1 ATOM 3598 C CB . TYR A 1 372 ? 64.163 103.320 54.263 1.00 16.75 ? 453 TYR A CB 1 ATOM 3599 C CG . TYR A 1 372 ? 65.193 104.446 54.071 1.00 16.73 ? 453 TYR A CG 1 ATOM 3600 C CD1 . TYR A 1 372 ? 65.621 105.166 55.183 1.00 17.25 ? 453 TYR A CD1 1 ATOM 3601 C CD2 . TYR A 1 372 ? 65.672 104.751 52.797 1.00 16.61 ? 453 TYR A CD2 1 ATOM 3602 C CE1 . TYR A 1 372 ? 66.528 106.190 55.011 1.00 16.51 ? 453 TYR A CE1 1 ATOM 3603 C CE2 . TYR A 1 372 ? 66.586 105.777 52.621 1.00 16.17 ? 453 TYR A CE2 1 ATOM 3604 C CZ . TYR A 1 372 ? 67.004 106.495 53.740 1.00 17.25 ? 453 TYR A CZ 1 ATOM 3605 O OH . TYR A 1 372 ? 67.912 107.560 53.614 1.00 16.36 ? 453 TYR A OH 1 ATOM 3606 H H . TYR A 1 372 ? 62.396 105.477 53.231 1.00 0.00 ? 453 TYR A H 1 ATOM 3607 H HH . TYR A 1 372 ? 68.425 107.441 52.802 1.00 0.00 ? 453 TYR A HH 1 ATOM 3608 N N . GLY A 1 373 ? 62.250 104.008 56.626 1.00 14.18 ? 454 GLY A N 1 ATOM 3609 C CA . GLY A 1 373 ? 61.844 104.727 57.774 1.00 11.86 ? 454 GLY A CA 1 ATOM 3610 C C . GLY A 1 373 ? 63.018 104.735 58.683 1.00 15.38 ? 454 GLY A C 1 ATOM 3611 O O . GLY A 1 373 ? 64.179 104.788 58.270 1.00 18.26 ? 454 GLY A O 1 ATOM 3612 H H . GLY A 1 373 ? 62.725 103.170 56.762 1.00 0.00 ? 454 GLY A H 1 ATOM 3613 N N . THR A 1 374 ? 62.729 104.433 59.915 1.00 17.83 ? 455 THR A N 1 ATOM 3614 C CA . THR A 1 374 ? 63.681 104.454 60.998 1.00 20.87 ? 455 THR A CA 1 ATOM 3615 C C . THR A 1 374 ? 63.611 103.182 61.877 1.00 22.86 ? 455 THR A C 1 ATOM 3616 O O . THR A 1 374 ? 62.660 102.376 61.793 1.00 23.62 ? 455 THR A O 1 ATOM 3617 C CB . THR A 1 374 ? 63.225 105.808 61.561 1.00 22.27 ? 455 THR A CB 1 ATOM 3618 O OG1 . THR A 1 374 ? 64.191 106.749 61.082 1.00 24.79 ? 455 THR A OG1 1 ATOM 3619 C CG2 . THR A 1 374 ? 62.928 105.785 63.024 1.00 20.70 ? 455 THR A CG2 1 ATOM 3620 H H . THR A 1 374 ? 61.841 104.088 60.113 1.00 0.00 ? 455 THR A H 1 ATOM 3621 H HG1 . THR A 1 374 ? 64.214 106.765 60.105 1.00 0.00 ? 455 THR A HG1 1 ATOM 3622 N N . GLY A 1 375 ? 64.632 102.964 62.700 1.00 22.34 ? 456 GLY A N 1 ATOM 3623 C CA . GLY A 1 375 ? 64.682 101.845 63.614 1.00 23.10 ? 456 GLY A CA 1 ATOM 3624 C C . GLY A 1 375 ? 66.086 101.737 64.192 1.00 25.04 ? 456 GLY A C 1 ATOM 3625 O O . GLY A 1 375 ? 66.908 102.633 63.967 1.00 25.62 ? 456 GLY A O 1 ATOM 3626 H H . GLY A 1 375 ? 65.444 103.522 62.613 1.00 0.00 ? 456 GLY A H 1 ATOM 3627 N N . SER A 1 376 ? 66.325 100.675 64.971 1.00 25.57 ? 457 SER A N 1 ATOM 3628 C CA . SER A 1 376 ? 67.579 100.314 65.612 1.00 25.11 ? 457 SER A CA 1 ATOM 3629 C C . SER A 1 376 ? 67.429 98.807 65.738 1.00 26.34 ? 457 SER A C 1 ATOM 3630 O O . SER A 1 376 ? 66.444 98.321 66.299 1.00 27.42 ? 457 SER A O 1 ATOM 3631 C CB . SER A 1 376 ? 67.729 100.848 67.013 1.00 25.05 ? 457 SER A CB 1 ATOM 3632 O OG . SER A 1 376 ? 68.826 100.234 67.687 1.00 23.68 ? 457 SER A OG 1 ATOM 3633 H H . SER A 1 376 ? 65.589 100.054 65.153 1.00 0.00 ? 457 SER A H 1 ATOM 3634 H HG . SER A 1 376 ? 69.482 100.051 67.009 1.00 0.00 ? 457 SER A HG 1 ATOM 3635 N N . TRP A 1 377 ? 68.383 98.024 65.254 1.00 26.82 ? 458 TRP A N 1 ATOM 3636 C CA . TRP A 1 377 ? 68.295 96.566 65.337 1.00 24.45 ? 458 TRP A CA 1 ATOM 3637 C C . TRP A 1 377 ? 69.522 96.001 66.032 1.00 20.63 ? 458 TRP A C 1 ATOM 3638 O O . TRP A 1 377 ? 70.469 95.567 65.392 1.00 20.17 ? 458 TRP A O 1 ATOM 3639 C CB . TRP A 1 377 ? 68.142 96.051 63.893 1.00 25.84 ? 458 TRP A CB 1 ATOM 3640 C CG . TRP A 1 377 ? 66.911 96.569 63.123 1.00 27.48 ? 458 TRP A CG 1 ATOM 3641 C CD1 . TRP A 1 377 ? 65.810 95.773 62.981 1.00 27.34 ? 458 TRP A CD1 1 ATOM 3642 C CD2 . TRP A 1 377 ? 66.772 97.755 62.430 1.00 28.71 ? 458 TRP A CD2 1 ATOM 3643 N NE1 . TRP A 1 377 ? 64.999 96.421 62.195 1.00 27.46 ? 458 TRP A NE1 1 ATOM 3644 C CE2 . TRP A 1 377 ? 65.518 97.593 61.846 1.00 28.49 ? 458 TRP A CE2 1 ATOM 3645 C CE3 . TRP A 1 377 ? 67.489 98.912 62.194 1.00 28.68 ? 458 TRP A CE3 1 ATOM 3646 C CZ2 . TRP A 1 377 ? 64.964 98.556 61.027 1.00 28.67 ? 458 TRP A CZ2 1 ATOM 3647 C CZ3 . TRP A 1 377 ? 66.935 99.876 61.372 1.00 28.38 ? 458 TRP A CZ3 1 ATOM 3648 C CH2 . TRP A 1 377 ? 65.691 99.706 60.791 1.00 28.08 ? 458 TRP A CH2 1 ATOM 3649 H H . TRP A 1 377 ? 69.160 98.399 64.787 1.00 0.00 ? 458 TRP A H 1 ATOM 3650 H HE1 . TRP A 1 377 ? 64.217 96.002 61.782 1.00 0.00 ? 458 TRP A HE1 1 ATOM 3651 N N . PRO A 1 378 ? 69.616 96.033 67.346 1.00 19.43 ? 459 PRO A N 1 ATOM 3652 C CA . PRO A 1 378 ? 70.717 95.457 68.092 1.00 20.15 ? 459 PRO A CA 1 ATOM 3653 C C . PRO A 1 378 ? 70.732 93.918 68.186 1.00 22.77 ? 459 PRO A C 1 ATOM 3654 O O . PRO A 1 378 ? 69.827 93.216 67.710 1.00 24.30 ? 459 PRO A O 1 ATOM 3655 C CB . PRO A 1 378 ? 70.593 96.150 69.439 1.00 18.27 ? 459 PRO A CB 1 ATOM 3656 C CG . PRO A 1 378 ? 69.140 96.297 69.645 1.00 15.89 ? 459 PRO A CG 1 ATOM 3657 C CD . PRO A 1 378 ? 68.720 96.750 68.246 1.00 18.82 ? 459 PRO A CD 1 ATOM 3658 N N . ASP A 1 379 ? 71.712 93.371 68.904 1.00 22.44 ? 460 ASP A N 1 ATOM 3659 C CA . ASP A 1 379 ? 71.799 91.940 69.075 1.00 23.80 ? 460 ASP A CA 1 ATOM 3660 C C . ASP A 1 379 ? 70.533 91.417 69.783 1.00 24.08 ? 460 ASP A C 1 ATOM 3661 O O . ASP A 1 379 ? 69.880 90.486 69.297 1.00 24.95 ? 460 ASP A O 1 ATOM 3662 C CB . ASP A 1 379 ? 73.086 91.678 69.851 1.00 21.80 ? 460 ASP A CB 1 ATOM 3663 C CG . ASP A 1 379 ? 73.146 90.307 70.483 1.00 21.36 ? 460 ASP A CG 1 ATOM 3664 O OD1 . ASP A 1 379 ? 73.349 89.342 69.753 1.00 19.11 ? 460 ASP A OD1 1 ATOM 3665 O OD2 . ASP A 1 379 ? 72.972 90.231 71.703 1.00 20.13 ? 460 ASP A OD2 1 ATOM 3666 H H . ASP A 1 379 ? 72.411 93.952 69.275 1.00 0.00 ? 460 ASP A H 1 ATOM 3667 N N . GLY A 1 380 ? 70.173 91.993 70.928 1.00 24.46 ? 461 GLY A N 1 ATOM 3668 C CA . GLY A 1 380 ? 68.974 91.592 71.638 1.00 24.71 ? 461 GLY A CA 1 ATOM 3669 C C . GLY A 1 380 ? 69.110 90.643 72.802 1.00 26.46 ? 461 GLY A C 1 ATOM 3670 O O . GLY A 1 380 ? 68.160 90.521 73.587 1.00 26.73 ? 461 GLY A O 1 ATOM 3671 H H . GLY A 1 380 ? 70.746 92.675 71.329 1.00 0.00 ? 461 GLY A H 1 ATOM 3672 N N . ALA A 1 381 ? 70.244 89.980 73.007 1.00 26.42 ? 462 ALA A N 1 ATOM 3673 C CA . ALA A 1 381 ? 70.316 89.054 74.111 1.00 26.95 ? 462 ALA A CA 1 ATOM 3674 C C . ALA A 1 381 ? 70.354 89.715 75.467 1.00 27.98 ? 462 ALA A C 1 ATOM 3675 O O . ALA A 1 381 ? 70.982 90.739 75.626 1.00 29.50 ? 462 ALA A O 1 ATOM 3676 C CB . ALA A 1 381 ? 71.544 88.182 73.996 1.00 25.55 ? 462 ALA A CB 1 ATOM 3677 H H . ALA A 1 381 ? 71.026 90.180 72.463 1.00 0.00 ? 462 ALA A H 1 ATOM 3678 N N . ASN A 1 382 ? 69.610 89.275 76.463 1.00 28.79 ? 463 ASN A N 1 ATOM 3679 C CA . ASN A 1 382 ? 69.709 89.886 77.768 1.00 29.87 ? 463 ASN A CA 1 ATOM 3680 C C . ASN A 1 382 ? 70.823 89.100 78.395 1.00 31.24 ? 463 ASN A C 1 ATOM 3681 O O . ASN A 1 382 ? 70.651 87.896 78.638 1.00 31.02 ? 463 ASN A O 1 ATOM 3682 C CB . ASN A 1 382 ? 68.447 89.700 78.585 1.00 30.96 ? 463 ASN A CB 1 ATOM 3683 C CG . ASN A 1 382 ? 68.525 90.289 79.983 1.00 32.03 ? 463 ASN A CG 1 ATOM 3684 O OD1 . ASN A 1 382 ? 69.507 90.181 80.714 1.00 33.03 ? 463 ASN A OD1 1 ATOM 3685 N ND2 . ASN A 1 382 ? 67.460 90.909 80.439 1.00 33.61 ? 463 ASN A ND2 1 ATOM 3686 H H . ASN A 1 382 ? 68.839 88.730 76.252 1.00 0.00 ? 463 ASN A H 1 ATOM 3687 H HD21 . ASN A 1 382 ? 67.576 91.325 81.318 1.00 0.00 ? 463 ASN A HD21 1 ATOM 3688 H HD22 . ASN A 1 382 ? 66.630 90.953 79.921 1.00 0.00 ? 463 ASN A HD22 1 ATOM 3689 N N . ILE A 1 383 ? 71.919 89.799 78.669 1.00 32.38 ? 464 ILE A N 1 ATOM 3690 C CA . ILE A 1 383 ? 73.122 89.232 79.274 1.00 33.98 ? 464 ILE A CA 1 ATOM 3691 C C . ILE A 1 383 ? 72.884 88.413 80.541 1.00 34.91 ? 464 ILE A C 1 ATOM 3692 O O . ILE A 1 383 ? 73.685 87.535 80.872 1.00 33.93 ? 464 ILE A O 1 ATOM 3693 C CB . ILE A 1 383 ? 74.125 90.442 79.492 1.00 34.15 ? 464 ILE A CB 1 ATOM 3694 C CG1 . ILE A 1 383 ? 75.360 90.095 78.664 1.00 33.12 ? 464 ILE A CG1 1 ATOM 3695 C CG2 . ILE A 1 383 ? 74.461 90.753 80.960 1.00 34.28 ? 464 ILE A CG2 1 ATOM 3696 C CD1 . ILE A 1 383 ? 76.287 88.990 79.137 1.00 32.62 ? 464 ILE A CD1 1 ATOM 3697 H H . ILE A 1 383 ? 71.909 90.755 78.451 1.00 0.00 ? 464 ILE A H 1 ATOM 3698 N N . ASN A 1 384 ? 71.786 88.656 81.242 1.00 35.65 ? 465 ASN A N 1 ATOM 3699 C CA . ASN A 1 384 ? 71.508 87.906 82.442 1.00 37.70 ? 465 ASN A CA 1 ATOM 3700 C C . ASN A 1 384 ? 70.829 86.575 82.198 1.00 37.50 ? 465 ASN A C 1 ATOM 3701 O O . ASN A 1 384 ? 70.599 85.798 83.123 1.00 38.46 ? 465 ASN A O 1 ATOM 3702 C CB . ASN A 1 384 ? 70.658 88.730 83.357 1.00 40.20 ? 465 ASN A CB 1 ATOM 3703 C CG . ASN A 1 384 ? 71.412 89.965 83.787 1.00 42.11 ? 465 ASN A CG 1 ATOM 3704 O OD1 . ASN A 1 384 ? 71.090 91.069 83.350 1.00 43.53 ? 465 ASN A OD1 1 ATOM 3705 N ND2 . ASN A 1 384 ? 72.449 89.834 84.609 1.00 42.32 ? 465 ASN A ND2 1 ATOM 3706 H H . ASN A 1 384 ? 71.208 89.410 81.000 1.00 0.00 ? 465 ASN A H 1 ATOM 3707 H HD21 . ASN A 1 384 ? 72.901 90.657 84.904 1.00 0.00 ? 465 ASN A HD21 1 ATOM 3708 H HD22 . ASN A 1 384 ? 72.700 88.938 84.905 1.00 0.00 ? 465 ASN A HD22 1 ATOM 3709 N N . PHE A 1 385 ? 70.437 86.282 80.971 1.00 36.48 ? 466 PHE A N 1 ATOM 3710 C CA . PHE A 1 385 ? 69.811 85.007 80.684 1.00 35.96 ? 466 PHE A CA 1 ATOM 3711 C C . PHE A 1 385 ? 70.816 84.058 80.040 1.00 36.28 ? 466 PHE A C 1 ATOM 3712 O O . PHE A 1 385 ? 70.507 82.882 79.818 1.00 37.08 ? 466 PHE A O 1 ATOM 3713 C CB . PHE A 1 385 ? 68.650 85.176 79.708 1.00 36.35 ? 466 PHE A CB 1 ATOM 3714 C CG . PHE A 1 385 ? 67.548 86.107 80.178 1.00 36.22 ? 466 PHE A CG 1 ATOM 3715 C CD1 . PHE A 1 385 ? 67.397 86.443 81.512 1.00 35.99 ? 466 PHE A CD1 1 ATOM 3716 C CD2 . PHE A 1 385 ? 66.702 86.636 79.234 1.00 36.19 ? 466 PHE A CD2 1 ATOM 3717 C CE1 . PHE A 1 385 ? 66.404 87.312 81.899 1.00 36.23 ? 466 PHE A CE1 1 ATOM 3718 C CE2 . PHE A 1 385 ? 65.707 87.504 79.628 1.00 36.60 ? 466 PHE A CE2 1 ATOM 3719 C CZ . PHE A 1 385 ? 65.557 87.845 80.956 1.00 36.12 ? 466 PHE A CZ 1 ATOM 3720 H H . PHE A 1 385 ? 70.574 86.937 80.266 1.00 0.00 ? 466 PHE A H 1 ATOM 3721 N N . MET A 1 386 ? 71.991 84.555 79.645 1.00 35.38 ? 467 MET A N 1 ATOM 3722 C CA . MET A 1 386 ? 73.003 83.759 78.988 1.00 34.15 ? 467 MET A CA 1 ATOM 3723 C C . MET A 1 386 ? 73.645 82.786 79.933 1.00 35.04 ? 467 MET A C 1 ATOM 3724 O O . MET A 1 386 ? 73.720 83.008 81.136 1.00 33.88 ? 467 MET A O 1 ATOM 3725 C CB . MET A 1 386 ? 74.091 84.611 78.422 1.00 33.03 ? 467 MET A CB 1 ATOM 3726 C CG . MET A 1 386 ? 73.550 85.630 77.461 1.00 31.79 ? 467 MET A CG 1 ATOM 3727 S SD . MET A 1 386 ? 72.531 84.861 76.196 1.00 31.14 ? 467 MET A SD 1 ATOM 3728 C CE . MET A 1 386 ? 73.717 83.919 75.285 1.00 30.03 ? 467 MET A CE 1 ATOM 3729 H H . MET A 1 386 ? 72.250 85.445 79.955 1.00 0.00 ? 467 MET A H 1 ATOM 3730 N N . PRO A 1 387 ? 74.051 81.629 79.444 1.00 36.51 ? 468 PRO A N 1 ATOM 3731 C CA . PRO A 1 387 ? 74.990 80.818 80.185 1.00 37.60 ? 468 PRO A CA 1 ATOM 3732 C C . PRO A 1 387 ? 76.330 81.518 80.350 1.00 38.67 ? 468 PRO A C 1 ATOM 3733 O O . PRO A 1 387 ? 76.725 82.385 79.558 1.00 39.50 ? 468 PRO A O 1 ATOM 3734 C CB . PRO A 1 387 ? 75.037 79.521 79.373 1.00 37.23 ? 468 PRO A CB 1 ATOM 3735 C CG . PRO A 1 387 ? 74.482 79.878 78.006 1.00 36.71 ? 468 PRO A CG 1 ATOM 3736 C CD . PRO A 1 387 ? 73.397 80.869 78.372 1.00 36.56 ? 468 PRO A CD 1 ATOM 3737 N N . ILE A 1 388 ? 76.972 80.907 81.343 1.00 40.15 ? 469 ILE A N 1 ATOM 3738 C CA . ILE A 1 388 ? 78.293 81.120 81.908 1.00 42.03 ? 469 ILE A CA 1 ATOM 3739 C C . ILE A 1 388 ? 78.186 82.149 83.002 1.00 43.19 ? 469 ILE A C 1 ATOM 3740 O O . ILE A 1 388 ? 77.750 83.267 82.732 1.00 44.44 ? 469 ILE A O 1 ATOM 3741 C CB . ILE A 1 388 ? 79.360 81.559 80.846 1.00 42.21 ? 469 ILE A CB 1 ATOM 3742 C CG1 . ILE A 1 388 ? 79.475 80.579 79.669 1.00 44.27 ? 469 ILE A CG1 1 ATOM 3743 C CG2 . ILE A 1 388 ? 80.704 81.509 81.477 1.00 41.95 ? 469 ILE A CG2 1 ATOM 3744 C CD1 . ILE A 1 388 ? 79.540 79.038 79.879 1.00 45.44 ? 469 ILE A CD1 1 ATOM 3745 O OXT . ILE A 1 388 ? 78.477 81.757 84.136 1.00 43.97 ? 469 ILE A OXT 1 ATOM 3746 H H . ILE A 1 388 ? 76.434 80.312 81.894 1.00 0.00 ? 469 ILE A H 1 HETATM 3747 C C1 . NAG B 2 . A 80.376 91.006 31.147 1.00 49.44 ? 470 NAG A C1 1 HETATM 3748 C C2 . NAG B 2 . A 80.710 91.371 29.707 1.00 51.22 ? 470 NAG A C2 1 HETATM 3749 C C3 . NAG B 2 . A 79.486 91.410 28.802 1.00 52.78 ? 470 NAG A C3 1 HETATM 3750 C C4 . NAG B 2 . A 78.710 90.088 28.968 1.00 53.77 ? 470 NAG A C4 1 HETATM 3751 C C5 . NAG B 2 . A 78.364 89.899 30.475 1.00 53.05 ? 470 NAG A C5 1 HETATM 3752 C C6 . NAG B 2 . A 77.519 88.669 30.808 1.00 53.63 ? 470 NAG A C6 1 HETATM 3753 C C7 . NAG B 2 . A 82.537 93.006 29.855 1.00 52.37 ? 470 NAG A C7 1 HETATM 3754 C C8 . NAG B 2 . A 82.912 94.473 29.785 1.00 51.90 ? 470 NAG A C8 1 HETATM 3755 N N2 . NAG B 2 . A 81.259 92.715 29.666 1.00 52.07 ? 470 NAG A N2 1 HETATM 3756 O O3 . NAG B 2 . A 79.913 91.615 27.462 1.00 54.35 ? 470 NAG A O3 1 HETATM 3757 O O4 . NAG B 2 . A 77.496 90.061 28.163 1.00 55.03 ? 470 NAG A O4 1 HETATM 3758 O O5 . NAG B 2 . A 79.603 89.808 31.183 1.00 51.28 ? 470 NAG A O5 1 HETATM 3759 O O6 . NAG B 2 . A 77.955 87.612 29.983 1.00 55.65 ? 470 NAG A O6 1 HETATM 3760 O O7 . NAG B 2 . A 83.369 92.133 30.096 1.00 53.11 ? 470 NAG A O7 1 HETATM 3761 H H1 . NAG B 2 . A 79.787 91.799 31.649 1.00 0.00 ? 470 NAG A H1 1 HETATM 3762 H H2 . NAG B 2 . A 81.429 90.637 29.298 1.00 0.00 ? 470 NAG A H2 1 HETATM 3763 H H3 . NAG B 2 . A 78.819 92.237 29.092 1.00 0.00 ? 470 NAG A H3 1 HETATM 3764 H H4 . NAG B 2 . A 79.372 89.258 28.672 1.00 0.00 ? 470 NAG A H4 1 HETATM 3765 H H5 . NAG B 2 . A 77.819 90.780 30.858 1.00 0.00 ? 470 NAG A H5 1 HETATM 3766 H H61 . NAG B 2 . A 76.448 88.888 30.646 1.00 0.00 ? 470 NAG A H61 1 HETATM 3767 H H62 . NAG B 2 . A 77.647 88.396 31.871 1.00 0.00 ? 470 NAG A H62 1 HETATM 3768 H H81 . NAG B 2 . A 82.979 94.892 30.791 1.00 0.00 ? 470 NAG A H81 1 HETATM 3769 H H82 . NAG B 2 . A 82.160 95.049 29.226 1.00 0.00 ? 470 NAG A H82 1 HETATM 3770 H H83 . NAG B 2 . A 83.878 94.598 29.274 1.00 0.00 ? 470 NAG A H83 1 HETATM 3771 H HN2 . NAG B 2 . A 80.638 93.422 29.397 1.00 0.00 ? 470 NAG A HN2 1 HETATM 3772 H HO3 . NAG B 2 . A 79.138 91.705 26.877 1.00 0.00 ? 470 NAG A HO3 1 HETATM 3773 H HO6 . NAG B 2 . A 78.850 87.380 30.278 1.00 0.00 ? 470 NAG A HO6 1 HETATM 3774 C C1 . NAG C 2 . B 77.550 89.415 26.888 0.00 55.22 ? 471 NAG A C1 1 HETATM 3775 C C2 . NAG C 2 . B 76.113 89.041 26.542 0.00 55.44 ? 471 NAG A C2 1 HETATM 3776 C C3 . NAG C 2 . B 76.095 88.363 25.159 0.00 55.50 ? 471 NAG A C3 1 HETATM 3777 C C4 . NAG C 2 . B 77.106 89.048 24.203 0.00 55.53 ? 471 NAG A C4 1 HETATM 3778 C C5 . NAG C 2 . B 77.521 90.459 24.679 0.00 55.50 ? 471 NAG A C5 1 HETATM 3779 C C6 . NAG C 2 . B 76.449 91.575 24.810 0.00 55.56 ? 471 NAG A C6 1 HETATM 3780 C C7 . NAG C 2 . B 74.422 87.930 27.955 0.00 55.65 ? 471 NAG A C7 1 HETATM 3781 C C8 . NAG C 2 . B 74.175 86.946 29.086 0.00 55.70 ? 471 NAG A C8 1 HETATM 3782 N N2 . NAG C 2 . B 75.692 88.132 27.605 0.00 55.56 ? 471 NAG A N2 1 HETATM 3783 O O3 . NAG C 2 . B 74.813 88.404 24.578 0.00 55.54 ? 471 NAG A O3 1 HETATM 3784 O O4 . NAG C 2 . B 78.275 88.257 24.136 0.00 55.57 ? 471 NAG A O4 1 HETATM 3785 O O5 . NAG C 2 . B 78.171 90.295 25.950 0.00 55.40 ? 471 NAG A O5 1 HETATM 3786 O O6 . NAG C 2 . B 76.635 92.294 26.023 0.00 55.62 ? 471 NAG A O6 1 HETATM 3787 O O7 . NAG C 2 . B 73.489 88.526 27.424 0.00 55.70 ? 471 NAG A O7 1 HETATM 3788 H H1 . NAG C 2 . B 78.154 88.493 26.944 0.00 0.00 ? 471 NAG A H1 1 HETATM 3789 H H2 . NAG C 2 . B 75.466 89.928 26.580 0.00 0.00 ? 471 NAG A H2 1 HETATM 3790 H H3 . NAG C 2 . B 76.376 87.305 25.298 0.00 0.00 ? 471 NAG A H3 1 HETATM 3791 H H4 . NAG C 2 . B 76.683 89.142 23.187 0.00 0.00 ? 471 NAG A H4 1 HETATM 3792 H H5 . NAG C 2 . B 78.306 90.842 24.006 0.00 0.00 ? 471 NAG A H5 1 HETATM 3793 H H61 . NAG C 2 . B 75.427 91.171 24.721 0.00 0.00 ? 471 NAG A H61 1 HETATM 3794 H H62 . NAG C 2 . B 76.543 92.278 23.967 0.00 0.00 ? 471 NAG A H62 1 HETATM 3795 H H81 . NAG C 2 . B 73.121 86.634 29.090 0.00 0.00 ? 471 NAG A H81 1 HETATM 3796 H H82 . NAG C 2 . B 74.398 87.417 30.051 0.00 0.00 ? 471 NAG A H82 1 HETATM 3797 H H83 . NAG C 2 . B 74.802 86.052 28.967 0.00 0.00 ? 471 NAG A H83 1 HETATM 3798 H HN2 . NAG C 2 . B 76.397 87.740 28.164 0.00 0.00 ? 471 NAG A HN2 1 HETATM 3799 H HO3 . NAG C 2 . B 74.657 87.588 24.096 0.00 0.00 ? 471 NAG A HO3 1 HETATM 3800 H HO4 . NAG C 2 . B 79.049 88.827 24.208 0.00 0.00 ? 471 NAG A HO4 1 HETATM 3801 H HO6 . NAG C 2 . B 76.882 91.668 26.718 0.00 0.00 ? 471 NAG A HO6 1 HETATM 3802 C C1 . NAG D 2 . A 86.969 80.417 83.182 1.00 66.22 ? 472 NAG A C1 1 HETATM 3803 C C2 . NAG D 2 . A 86.505 79.672 84.465 1.00 68.28 ? 472 NAG A C2 1 HETATM 3804 C C3 . NAG D 2 . A 87.022 80.479 85.625 1.00 70.27 ? 472 NAG A C3 1 HETATM 3805 C C4 . NAG D 2 . A 88.530 80.388 85.561 1.00 72.70 ? 472 NAG A C4 1 HETATM 3806 C C5 . NAG D 2 . A 89.120 80.976 84.267 1.00 73.34 ? 472 NAG A C5 1 HETATM 3807 C C6 . NAG D 2 . A 90.643 80.680 84.140 1.00 77.21 ? 472 NAG A C6 1 HETATM 3808 C C7 . NAG D 2 . A 84.066 79.953 84.294 1.00 68.48 ? 472 NAG A C7 1 HETATM 3809 C C8 . NAG D 2 . A 82.647 79.540 84.637 1.00 68.13 ? 472 NAG A C8 1 HETATM 3810 N N2 . NAG D 2 . A 85.124 79.312 84.752 1.00 68.41 ? 472 NAG A N2 1 HETATM 3811 O O3 . NAG D 2 . A 86.514 80.017 86.863 1.00 70.24 ? 472 NAG A O3 1 HETATM 3812 O O4 . NAG D 2 . A 89.000 81.155 86.645 1.00 74.85 ? 472 NAG A O4 1 HETATM 3813 O O5 . NAG D 2 . A 88.419 80.402 83.133 1.00 70.19 ? 472 NAG A O5 1 HETATM 3814 O O6 . NAG D 2 . A 90.948 79.400 83.463 1.00 82.13 ? 472 NAG A O6 1 HETATM 3815 O O7 . NAG D 2 . A 84.259 80.870 83.525 1.00 69.22 ? 472 NAG A O7 1 HETATM 3816 H H1 . NAG D 2 . A 86.668 81.468 83.144 1.00 0.00 ? 472 NAG A H1 1 HETATM 3817 H H2 . NAG D 2 . A 87.017 78.697 84.450 1.00 0.00 ? 472 NAG A H2 1 HETATM 3818 H H3 . NAG D 2 . A 86.713 81.526 85.509 1.00 0.00 ? 472 NAG A H3 1 HETATM 3819 H H4 . NAG D 2 . A 88.855 79.336 85.652 1.00 0.00 ? 472 NAG A H4 1 HETATM 3820 H H5 . NAG D 2 . A 88.964 82.068 84.269 1.00 0.00 ? 472 NAG A H5 1 HETATM 3821 H H61 . NAG D 2 . A 91.168 80.761 85.105 1.00 0.00 ? 472 NAG A H61 1 HETATM 3822 H H62 . NAG D 2 . A 91.070 81.448 83.481 1.00 0.00 ? 472 NAG A H62 1 HETATM 3823 H H81 . NAG D 2 . A 82.145 80.361 85.169 1.00 0.00 ? 472 NAG A H81 1 HETATM 3824 H H82 . NAG D 2 . A 82.631 78.646 85.274 1.00 0.00 ? 472 NAG A H82 1 HETATM 3825 H H83 . NAG D 2 . A 82.076 79.345 83.719 1.00 0.00 ? 472 NAG A H83 1 HETATM 3826 H HN2 . NAG D 2 . A 85.006 78.606 85.418 1.00 0.00 ? 472 NAG A HN2 1 HETATM 3827 H HO3 . NAG D 2 . A 87.263 79.918 87.465 1.00 0.00 ? 472 NAG A HO3 1 HETATM 3828 C C1 . NAG E 2 . B 89.714 80.497 87.679 1.00 76.77 ? 473 NAG A C1 1 HETATM 3829 C C2 . NAG E 2 . B 90.202 81.624 88.558 1.00 77.12 ? 473 NAG A C2 1 HETATM 3830 C C3 . NAG E 2 . B 90.972 81.020 89.702 1.00 78.41 ? 473 NAG A C3 1 HETATM 3831 C C4 . NAG E 2 . B 89.995 80.122 90.539 1.00 79.10 ? 473 NAG A C4 1 HETATM 3832 C C5 . NAG E 2 . B 89.486 78.987 89.577 1.00 78.75 ? 473 NAG A C5 1 HETATM 3833 C C6 . NAG E 2 . B 88.456 78.014 90.200 1.00 79.13 ? 473 NAG A C6 1 HETATM 3834 C C7 . NAG E 2 . B 90.638 83.750 87.449 1.00 75.53 ? 473 NAG A C7 1 HETATM 3835 C C8 . NAG E 2 . B 91.515 84.645 86.606 1.00 75.25 ? 473 NAG A C8 1 HETATM 3836 N N2 . NAG E 2 . B 91.044 82.524 87.767 1.00 75.99 ? 473 NAG A N2 1 HETATM 3837 O O3 . NAG E 2 . B 91.568 82.031 90.500 1.00 79.51 ? 473 NAG A O3 1 HETATM 3838 O O4 . NAG E 2 . B 90.623 79.605 91.764 1.00 79.69 ? 473 NAG A O4 1 HETATM 3839 O O5 . NAG E 2 . B 88.871 79.608 88.425 1.00 77.91 ? 473 NAG A O5 1 HETATM 3840 O O6 . NAG E 2 . B 88.286 76.855 89.389 1.00 79.71 ? 473 NAG A O6 1 HETATM 3841 O O7 . NAG E 2 . B 89.588 84.193 87.903 1.00 75.84 ? 473 NAG A O7 1 HETATM 3842 H H1 . NAG E 2 . B 90.550 79.922 87.241 1.00 0.00 ? 473 NAG A H1 1 HETATM 3843 H H2 . NAG E 2 . B 89.299 82.121 88.958 1.00 0.00 ? 473 NAG A H2 1 HETATM 3844 H H3 . NAG E 2 . B 91.772 80.413 89.257 1.00 0.00 ? 473 NAG A H3 1 HETATM 3845 H H4 . NAG E 2 . B 89.125 80.707 90.876 1.00 0.00 ? 473 NAG A H4 1 HETATM 3846 H H5 . NAG E 2 . B 90.338 78.399 89.200 1.00 0.00 ? 473 NAG A H5 1 HETATM 3847 H H61 . NAG E 2 . B 87.482 78.519 90.303 1.00 0.00 ? 473 NAG A H61 1 HETATM 3848 H H62 . NAG E 2 . B 88.780 77.733 91.212 1.00 0.00 ? 473 NAG A H62 1 HETATM 3849 H H81 . NAG E 2 . B 92.180 85.230 87.259 1.00 0.00 ? 473 NAG A H81 1 HETATM 3850 H H82 . NAG E 2 . B 90.886 85.356 86.047 1.00 0.00 ? 473 NAG A H82 1 HETATM 3851 H H83 . NAG E 2 . B 92.104 84.063 85.887 1.00 0.00 ? 473 NAG A H83 1 HETATM 3852 H HN2 . NAG E 2 . B 91.946 82.241 87.520 1.00 0.00 ? 473 NAG A HN2 1 HETATM 3853 H HO3 . NAG E 2 . B 91.008 82.819 90.520 1.00 0.00 ? 473 NAG A HO3 1 HETATM 3854 H HO6 . NAG E 2 . B 89.101 76.329 89.355 1.00 0.00 ? 473 NAG A HO6 1 HETATM 3855 C C1 . BMA F 3 . C 91.892 78.920 91.671 0.00 79.92 ? 474 BMA A C1 1 HETATM 3856 C C2 . BMA F 3 . C 92.452 78.692 93.053 0.00 80.28 ? 474 BMA A C2 1 HETATM 3857 C C3 . BMA F 3 . C 93.834 78.028 92.893 0.00 80.70 ? 474 BMA A C3 1 HETATM 3858 C C4 . BMA F 3 . C 93.617 76.695 92.113 0.00 80.31 ? 474 BMA A C4 1 HETATM 3859 C C5 . BMA F 3 . C 92.754 76.834 90.825 0.00 79.99 ? 474 BMA A C5 1 HETATM 3860 C C6 . BMA F 3 . C 92.203 75.478 90.291 0.00 79.82 ? 474 BMA A C6 1 HETATM 3861 O O2 . BMA F 3 . C 91.524 77.876 93.739 0.00 80.15 ? 474 BMA A O2 1 HETATM 3862 O O3 . BMA F 3 . C 94.402 77.832 94.214 0.00 81.91 ? 474 BMA A O3 1 HETATM 3863 O O4 . BMA F 3 . C 94.861 76.171 91.680 0.00 80.17 ? 474 BMA A O4 1 HETATM 3864 O O5 . BMA F 3 . C 91.620 77.662 91.077 0.00 79.92 ? 474 BMA A O5 1 HETATM 3865 O O6 . BMA F 3 . C 90.794 75.554 90.107 0.00 79.66 ? 474 BMA A O6 1 HETATM 3866 H H1 . BMA F 3 . C 92.574 79.513 91.043 0.00 0.00 ? 474 BMA A H1 1 HETATM 3867 H H2 . BMA F 3 . C 92.563 79.664 93.567 0.00 0.00 ? 474 BMA A H2 1 HETATM 3868 H H3 . BMA F 3 . C 94.495 78.708 92.335 0.00 0.00 ? 474 BMA A H3 1 HETATM 3869 H H4 . BMA F 3 . C 93.084 76.007 92.784 0.00 0.00 ? 474 BMA A H4 1 HETATM 3870 H H5 . BMA F 3 . C 93.331 77.331 90.023 0.00 0.00 ? 474 BMA A H5 1 HETATM 3871 H H61 . BMA F 3 . C 92.430 74.661 90.993 0.00 0.00 ? 474 BMA A H61 1 HETATM 3872 H H62 . BMA F 3 . C 92.698 75.206 89.347 0.00 0.00 ? 474 BMA A H62 1 HETATM 3873 H HO2 . BMA F 3 . C 90.659 78.176 93.425 0.00 0.00 ? 474 BMA A HO2 1 HETATM 3874 H HO4 . BMA F 3 . C 95.438 75.919 92.405 0.00 0.00 ? 474 BMA A HO4 1 HETATM 3875 H HO6 . BMA F 3 . C 90.437 75.926 90.925 0.00 0.00 ? 474 BMA A HO6 1 HETATM 3876 C C1 . MAN G 4 . D 95.615 77.078 94.413 0.00 83.18 ? 475 MAN A C1 1 HETATM 3877 C C2 . MAN G 4 . D 95.294 75.619 94.761 0.00 83.75 ? 475 MAN A C2 1 HETATM 3878 C C3 . MAN G 4 . D 94.493 75.535 96.062 0.00 84.56 ? 475 MAN A C3 1 HETATM 3879 C C4 . MAN G 4 . D 95.177 76.308 97.199 0.00 85.40 ? 475 MAN A C4 1 HETATM 3880 C C5 . MAN G 4 . D 95.720 77.707 96.775 0.00 84.61 ? 475 MAN A C5 1 HETATM 3881 C C6 . MAN G 4 . D 96.794 78.267 97.747 0.00 84.35 ? 475 MAN A C6 1 HETATM 3882 O O2 . MAN G 4 . D 96.451 74.842 94.908 0.00 83.63 ? 475 MAN A O2 1 HETATM 3883 O O3 . MAN G 4 . D 94.413 74.159 96.434 0.00 84.39 ? 475 MAN A O3 1 HETATM 3884 O O4 . MAN G 4 . D 94.206 76.531 98.253 0.00 87.72 ? 475 MAN A O4 1 HETATM 3885 O O5 . MAN G 4 . D 96.363 77.643 95.484 0.00 83.78 ? 475 MAN A O5 1 HETATM 3886 O O6 . MAN G 4 . D 96.286 78.774 98.969 0.00 84.20 ? 475 MAN A O6 1 HETATM 3887 H H1 . MAN G 4 . D 96.271 77.224 93.538 0.00 0.00 ? 475 MAN A H1 1 HETATM 3888 H H2 . MAN G 4 . D 94.709 75.127 93.979 0.00 0.00 ? 475 MAN A H2 1 HETATM 3889 H H3 . MAN G 4 . D 93.487 75.965 95.906 0.00 0.00 ? 475 MAN A H3 1 HETATM 3890 H H4 . MAN G 4 . D 96.027 75.712 97.529 0.00 0.00 ? 475 MAN A H4 1 HETATM 3891 H H5 . MAN G 4 . D 94.897 78.440 96.688 0.00 0.00 ? 475 MAN A H5 1 HETATM 3892 H H61 . MAN G 4 . D 97.361 79.071 97.242 0.00 0.00 ? 475 MAN A H61 1 HETATM 3893 H H62 . MAN G 4 . D 97.528 77.470 97.963 0.00 0.00 ? 475 MAN A H62 1 HETATM 3894 H HO2 . MAN G 4 . D 96.240 74.178 95.575 0.00 0.00 ? 475 MAN A HO2 1 HETATM 3895 H HO3 . MAN G 4 . D 93.627 73.791 96.015 0.00 0.00 ? 475 MAN A HO3 1 HETATM 3896 H HO6 . MAN G 4 . D 96.987 78.705 99.625 0.00 0.00 ? 475 MAN A HO6 1 HETATM 3897 C C1 . NAG H 2 . E 94.167 75.689 99.413 0.00 90.16 ? 476 NAG A C1 1 HETATM 3898 C C2 . NAG H 2 . E 95.577 75.609 100.107 0.00 90.82 ? 476 NAG A C2 1 HETATM 3899 C C3 . NAG H 2 . E 95.431 75.601 101.623 0.00 91.72 ? 476 NAG A C3 1 HETATM 3900 C C4 . NAG H 2 . E 94.647 76.853 102.003 0.00 92.72 ? 476 NAG A C4 1 HETATM 3901 C C5 . NAG H 2 . E 93.153 76.490 101.647 0.00 92.39 ? 476 NAG A C5 1 HETATM 3902 C C6 . NAG H 2 . E 92.087 77.599 101.901 0.00 92.52 ? 476 NAG A C6 1 HETATM 3903 C C7 . NAG H 2 . E 97.557 74.339 99.369 0.00 90.16 ? 476 NAG A C7 1 HETATM 3904 C C8 . NAG H 2 . E 98.104 72.985 98.942 0.00 90.02 ? 476 NAG A C8 1 HETATM 3905 N N2 . NAG H 2 . E 96.262 74.390 99.685 0.00 90.40 ? 476 NAG A N2 1 HETATM 3906 O O3 . NAG H 2 . E 96.682 75.557 102.284 0.00 91.60 ? 476 NAG A O3 1 HETATM 3907 O O4 . NAG H 2 . E 94.952 77.204 103.408 0.00 94.29 ? 476 NAG A O4 1 HETATM 3908 O O5 . NAG H 2 . E 93.045 76.154 100.234 0.00 91.28 ? 476 NAG A O5 1 HETATM 3909 O O6 . NAG H 2 . E 91.579 77.601 103.237 0.00 92.79 ? 476 NAG A O6 1 HETATM 3910 O O7 . NAG H 2 . E 98.269 75.340 99.364 0.00 90.02 ? 476 NAG A O7 1 HETATM 3911 H H1 . NAG H 2 . E 93.880 74.675 99.091 0.00 0.00 ? 476 NAG A H1 1 HETATM 3912 H H2 . NAG H 2 . E 96.163 76.495 99.830 0.00 0.00 ? 476 NAG A H2 1 HETATM 3913 H H3 . NAG H 2 . E 94.891 74.688 101.915 0.00 0.00 ? 476 NAG A H3 1 HETATM 3914 H H4 . NAG H 2 . E 94.972 77.718 101.415 0.00 0.00 ? 476 NAG A H4 1 HETATM 3915 H H5 . NAG H 2 . E 92.816 75.587 102.179 0.00 0.00 ? 476 NAG A H5 1 HETATM 3916 H H61 . NAG H 2 . E 91.246 77.480 101.194 0.00 0.00 ? 476 NAG A H61 1 HETATM 3917 H H62 . NAG H 2 . E 92.524 78.588 101.674 0.00 0.00 ? 476 NAG A H62 1 HETATM 3918 H H81 . NAG H 2 . E 99.158 73.076 98.639 0.00 0.00 ? 476 NAG A H81 1 HETATM 3919 H H82 . NAG H 2 . E 97.541 72.608 98.075 0.00 0.00 ? 476 NAG A H82 1 HETATM 3920 H H83 . NAG H 2 . E 98.037 72.262 99.768 0.00 0.00 ? 476 NAG A H83 1 HETATM 3921 H HN2 . NAG H 2 . E 95.733 73.576 99.602 0.00 0.00 ? 476 NAG A HN2 1 HETATM 3922 H HO3 . NAG H 2 . E 96.561 76.045 103.105 0.00 0.00 ? 476 NAG A HO3 1 HETATM 3923 H HO6 . NAG H 2 . E 91.434 76.698 103.550 0.00 0.00 ? 476 NAG A HO6 1 HETATM 3924 C C1 . NGK I 5 . F 93.962 77.425 104.462 1.00 95.59 ? 477 NGK A C1 1 HETATM 3925 C C2 . NGK I 5 . F 94.776 78.313 105.469 1.00 96.26 ? 477 NGK A C2 1 HETATM 3926 C C3 . NGK I 5 . F 95.462 77.436 106.525 1.00 95.95 ? 477 NGK A C3 1 HETATM 3927 C C4 . NGK I 5 . F 94.367 76.522 107.097 1.00 95.65 ? 477 NGK A C4 1 HETATM 3928 C C5 . NGK I 5 . F 93.965 75.461 106.058 1.00 95.73 ? 477 NGK A C5 1 HETATM 3929 C C6 . NGK I 5 . F 92.501 74.939 106.139 1.00 95.67 ? 477 NGK A C6 1 HETATM 3930 C C7 . NGK I 5 . F 96.269 80.302 105.180 1.00 99.09 ? 477 NGK A C7 1 HETATM 3931 C C8 . NGK I 5 . F 95.922 81.043 106.465 1.00 99.17 ? 477 NGK A C8 1 HETATM 3932 N N . NGK I 5 . F 95.778 79.126 104.766 1.00 97.81 ? 477 NGK A N 1 HETATM 3933 O O3 . NGK I 5 . F 96.117 78.192 107.529 1.00 95.84 ? 477 NGK A O3 1 HETATM 3934 O O4 . NGK I 5 . F 93.185 77.281 107.475 1.00 94.63 ? 477 NGK A O4 1 HETATM 3935 O O5 . NGK I 5 . F 94.191 76.008 104.723 1.00 95.82 ? 477 NGK A O5 1 HETATM 3936 O O6 . NGK I 5 . F 92.193 74.155 104.995 1.00 96.01 ? 477 NGK A O6 1 HETATM 3937 O O7 . NGK I 5 . F 97.050 80.832 104.390 1.00 100.14 ? 477 NGK A O7 1 HETATM 3938 S S . NGK I 5 . F 93.083 77.983 108.710 1.00 93.89 ? 477 NGK A S 1 HETATM 3939 O O1S . NGK I 5 . F 93.638 79.281 108.559 1.00 94.10 ? 477 NGK A O1S 1 HETATM 3940 O O2S . NGK I 5 . F 91.703 78.102 109.000 1.00 94.13 ? 477 NGK A O2S 1 HETATM 3941 O O3S . NGK I 5 . F 93.711 77.331 109.802 1.00 93.80 ? 477 NGK A O3S 1 HETATM 3942 H H1 . NGK I 5 . F 93.856 78.184 103.691 1.00 0.00 ? 477 NGK A H1 1 HETATM 3943 H H2 . NGK I 5 . F 94.030 78.983 105.922 1.00 0.00 ? 477 NGK A H2 1 HETATM 3944 H H3 . NGK I 5 . F 96.244 76.818 106.048 1.00 0.00 ? 477 NGK A H3 1 HETATM 3945 H H4 . NGK I 5 . F 94.778 75.988 107.983 1.00 0.00 ? 477 NGK A H4 1 HETATM 3946 H H5 . NGK I 5 . F 94.660 74.613 106.124 1.00 0.00 ? 477 NGK A H5 1 HETATM 3947 H H6C1 . NGK I 5 . F 91.778 75.766 106.228 1.00 0.00 ? 477 NGK A H6C1 1 HETATM 3948 H H6C2 . NGK I 5 . F 92.399 74.324 107.053 1.00 0.00 ? 477 NGK A H6C2 1 HETATM 3949 H H8C1 . NGK I 5 . F 96.171 82.121 106.372 1.00 0.00 ? 477 NGK A H8C1 1 HETATM 3950 H H8C2 . NGK I 5 . F 96.549 80.652 107.279 1.00 0.00 ? 477 NGK A H8C2 1 HETATM 3951 H H8C3 . NGK I 5 . F 94.877 80.943 106.729 1.00 0.00 ? 477 NGK A H8C3 1 HETATM 3952 H H . NGK I 5 . F 96.155 78.752 103.936 1.00 0.00 ? 477 NGK A H 1 HETATM 3953 H HB . NGK I 5 . F 95.466 78.518 108.167 1.00 0.00 ? 477 NGK A HB 1 HETATM 3954 H H6 . NGK I 5 . F 93.021 73.925 104.556 1.00 0.00 ? 477 NGK A H6 1 HETATM 3955 C C1 . FUL J 6 . I 92.137 78.559 83.763 1.00 85.38 ? 478 FUL A C1 1 HETATM 3956 C C2 . FUL J 6 . I 91.841 77.779 82.420 1.00 87.13 ? 478 FUL A C2 1 HETATM 3957 O O2 . FUL J 6 . I 92.457 78.052 81.199 1.00 88.81 ? 478 FUL A O2 1 HETATM 3958 C C3 . FUL J 6 . I 91.871 76.243 82.430 1.00 87.78 ? 478 FUL A C3 1 HETATM 3959 O O3 . FUL J 6 . I 90.952 75.290 81.892 1.00 87.69 ? 478 FUL A O3 1 HETATM 3960 C C4 . FUL J 6 . I 92.347 75.808 83.944 1.00 87.87 ? 478 FUL A C4 1 HETATM 3961 O O4 . FUL J 6 . I 92.336 74.451 84.295 1.00 89.10 ? 478 FUL A O4 1 HETATM 3962 C C5 . FUL J 6 . I 91.648 76.643 85.248 1.00 87.40 ? 478 FUL A C5 1 HETATM 3963 C C6 . FUL J 6 . I 90.569 76.222 86.310 1.00 87.21 ? 478 FUL A C6 1 HETATM 3964 O O5 . FUL J 6 . I 91.343 77.984 84.822 1.00 86.35 ? 478 FUL A O5 1 HETATM 3965 H H1 . FUL J 6 . I 92.457 79.545 83.394 1.00 0.00 ? 478 FUL A H1 1 HETATM 3966 H H2 . FUL J 6 . I 92.929 77.671 82.601 1.00 0.00 ? 478 FUL A H2 1 HETATM 3967 H HO2 . FUL J 6 . I 91.781 78.048 80.530 1.00 0.00 ? 478 FUL A HO2 1 HETATM 3968 H H3 . FUL J 6 . I 90.844 76.613 82.584 1.00 0.00 ? 478 FUL A H3 1 HETATM 3969 H HO3 . FUL J 6 . I 90.968 74.484 82.446 1.00 0.00 ? 478 FUL A HO3 1 HETATM 3970 H H4 . FUL J 6 . I 91.435 75.185 84.020 1.00 0.00 ? 478 FUL A H4 1 HETATM 3971 H HO4 . FUL J 6 . I 93.231 74.114 84.172 1.00 0.00 ? 478 FUL A HO4 1 HETATM 3972 H H5 . FUL J 6 . I 90.672 76.806 84.743 1.00 0.00 ? 478 FUL A H5 1 HETATM 3973 H H61 . FUL J 6 . I 89.896 75.361 86.015 1.00 0.00 ? 478 FUL A H61 1 HETATM 3974 H H62 . FUL J 6 . I 89.973 77.045 86.764 1.00 0.00 ? 478 FUL A H62 1 HETATM 3975 H H63 . FUL J 6 . I 91.111 75.777 87.152 1.00 0.00 ? 478 FUL A H63 1 HETATM 3976 C C1 . NAG K 2 . A 108.637 78.112 59.410 1.00 32.40 ? 479 NAG A C1 1 HETATM 3977 C C2 . NAG K 2 . A 109.772 77.557 60.266 1.00 34.96 ? 479 NAG A C2 1 HETATM 3978 C C3 . NAG K 2 . A 110.782 76.842 59.330 1.00 34.45 ? 479 NAG A C3 1 HETATM 3979 C C4 . NAG K 2 . A 110.070 75.761 58.473 1.00 33.82 ? 479 NAG A C4 1 HETATM 3980 C C5 . NAG K 2 . A 108.883 76.378 57.731 1.00 32.59 ? 479 NAG A C5 1 HETATM 3981 C C6 . NAG K 2 . A 108.060 75.338 56.964 1.00 32.79 ? 479 NAG A C6 1 HETATM 3982 C C7 . NAG K 2 . A 110.098 78.893 62.332 1.00 38.78 ? 479 NAG A C7 1 HETATM 3983 C C8 . NAG K 2 . A 110.794 80.015 63.084 1.00 39.08 ? 479 NAG A C8 1 HETATM 3984 N N2 . NAG K 2 . A 110.417 78.631 61.042 1.00 36.64 ? 479 NAG A N2 1 HETATM 3985 O O3 . NAG K 2 . A 111.746 76.238 60.161 1.00 36.05 ? 479 NAG A O3 1 HETATM 3986 O O4 . NAG K 2 . A 110.953 75.127 57.477 1.00 33.99 ? 479 NAG A O4 1 HETATM 3987 O O5 . NAG K 2 . A 108.039 77.024 58.694 1.00 31.91 ? 479 NAG A O5 1 HETATM 3988 O O6 . NAG K 2 . A 107.417 74.438 57.852 1.00 33.49 ? 479 NAG A O6 1 HETATM 3989 O O7 . NAG K 2 . A 109.234 78.251 62.930 1.00 40.25 ? 479 NAG A O7 1 HETATM 3990 H H1 . NAG K 2 . A 108.969 78.878 58.679 1.00 0.00 ? 479 NAG A H1 1 HETATM 3991 H H2 . NAG K 2 . A 109.353 76.780 60.933 1.00 0.00 ? 479 NAG A H2 1 HETATM 3992 H H3 . NAG K 2 . A 111.265 77.561 58.650 1.00 0.00 ? 479 NAG A H3 1 HETATM 3993 H H4 . NAG K 2 . A 109.673 75.010 59.180 1.00 0.00 ? 479 NAG A H4 1 HETATM 3994 H H5 . NAG K 2 . A 109.255 77.122 57.005 1.00 0.00 ? 479 NAG A H5 1 HETATM 3995 H H61 . NAG K 2 . A 108.701 74.798 56.252 1.00 0.00 ? 479 NAG A H61 1 HETATM 3996 H H62 . NAG K 2 . A 107.307 75.868 56.370 1.00 0.00 ? 479 NAG A H62 1 HETATM 3997 H H81 . NAG K 2 . A 110.160 80.381 63.908 1.00 0.00 ? 479 NAG A H81 1 HETATM 3998 H H82 . NAG K 2 . A 110.999 80.864 62.419 1.00 0.00 ? 479 NAG A H82 1 HETATM 3999 H H83 . NAG K 2 . A 111.735 79.651 63.521 1.00 0.00 ? 479 NAG A H83 1 HETATM 4000 H HN2 . NAG K 2 . A 111.118 79.158 60.611 1.00 0.00 ? 479 NAG A HN2 1 HETATM 4001 H HO3 . NAG K 2 . A 112.216 76.889 60.684 1.00 0.00 ? 479 NAG A HO3 1 HETATM 4002 H HO6 . NAG K 2 . A 108.048 73.948 58.393 1.00 0.00 ? 479 NAG A HO6 1 HETATM 4003 C C1 . NAG L 2 . B 111.135 73.711 57.624 1.00 33.40 ? 480 NAG A C1 1 HETATM 4004 C C2 . NAG L 2 . B 111.811 73.125 56.452 1.00 32.79 ? 480 NAG A C2 1 HETATM 4005 C C3 . NAG L 2 . B 112.145 71.695 56.685 1.00 33.97 ? 480 NAG A C3 1 HETATM 4006 C C4 . NAG L 2 . B 112.922 71.531 57.962 1.00 35.22 ? 480 NAG A C4 1 HETATM 4007 C C5 . NAG L 2 . B 112.117 72.090 59.098 1.00 35.57 ? 480 NAG A C5 1 HETATM 4008 C C6 . NAG L 2 . B 112.713 71.926 60.504 1.00 36.97 ? 480 NAG A C6 1 HETATM 4009 C C7 . NAG L 2 . B 111.144 73.955 54.235 1.00 33.55 ? 480 NAG A C7 1 HETATM 4010 C C8 . NAG L 2 . B 110.270 73.814 53.004 1.00 31.47 ? 480 NAG A C8 1 HETATM 4011 N N2 . NAG L 2 . B 110.997 73.124 55.250 1.00 33.48 ? 480 NAG A N2 1 HETATM 4012 O O3 . NAG L 2 . B 112.874 71.146 55.614 1.00 33.49 ? 480 NAG A O3 1 HETATM 4013 O O4 . NAG L 2 . B 113.095 70.122 58.127 1.00 38.54 ? 480 NAG A O4 1 HETATM 4014 O O5 . NAG L 2 . B 111.925 73.461 58.788 1.00 34.15 ? 480 NAG A O5 1 HETATM 4015 O O6 . NAG L 2 . B 114.060 72.345 60.542 1.00 38.78 ? 480 NAG A O6 1 HETATM 4016 O O7 . NAG L 2 . B 111.935 74.884 54.326 1.00 34.94 ? 480 NAG A O7 1 HETATM 4017 H H1 . NAG L 2 . B 110.121 73.283 57.769 1.00 0.00 ? 480 NAG A H1 1 HETATM 4018 H H2 . NAG L 2 . B 112.753 73.686 56.307 1.00 0.00 ? 480 NAG A H2 1 HETATM 4019 H H3 . NAG L 2 . B 111.202 71.138 56.809 1.00 0.00 ? 480 NAG A H3 1 HETATM 4020 H H4 . NAG L 2 . B 113.890 72.059 57.890 1.00 0.00 ? 480 NAG A H4 1 HETATM 4021 H H5 . NAG L 2 . B 111.118 71.616 59.145 1.00 0.00 ? 480 NAG A H5 1 HETATM 4022 H H61 . NAG L 2 . B 112.634 70.872 60.816 1.00 0.00 ? 480 NAG A H61 1 HETATM 4023 H H62 . NAG L 2 . B 112.115 72.498 61.232 1.00 0.00 ? 480 NAG A H62 1 HETATM 4024 H H81 . NAG L 2 . B 109.824 74.783 52.744 1.00 0.00 ? 480 NAG A H81 1 HETATM 4025 H H82 . NAG L 2 . B 109.470 73.091 53.173 1.00 0.00 ? 480 NAG A H82 1 HETATM 4026 H H83 . NAG L 2 . B 110.874 73.474 52.153 1.00 0.00 ? 480 NAG A H83 1 HETATM 4027 H HN2 . NAG L 2 . B 110.265 72.473 55.232 1.00 0.00 ? 480 NAG A HN2 1 HETATM 4028 H HO3 . NAG L 2 . B 113.560 71.786 55.379 1.00 0.00 ? 480 NAG A HO3 1 HETATM 4029 H HO6 . NAG L 2 . B 114.074 73.244 60.892 1.00 0.00 ? 480 NAG A HO6 1 HETATM 4030 C C1 . BMA M 3 . C 114.375 69.632 58.470 1.00 41.66 ? 481 BMA A C1 1 HETATM 4031 C C2 . BMA M 3 . C 114.164 68.285 59.095 1.00 42.85 ? 481 BMA A C2 1 HETATM 4032 C C3 . BMA M 3 . C 115.521 67.779 59.503 1.00 45.08 ? 481 BMA A C3 1 HETATM 4033 C C4 . BMA M 3 . C 116.419 67.641 58.282 1.00 46.30 ? 481 BMA A C4 1 HETATM 4034 C C5 . BMA M 3 . C 116.520 68.989 57.530 1.00 46.76 ? 481 BMA A C5 1 HETATM 4035 C C6 . BMA M 3 . C 117.294 68.850 56.197 1.00 49.75 ? 481 BMA A C6 1 HETATM 4036 O O2 . BMA M 3 . C 113.567 67.489 58.084 1.00 42.77 ? 481 BMA A O2 1 HETATM 4037 O O3 . BMA M 3 . C 115.436 66.499 60.152 1.00 46.22 ? 481 BMA A O3 1 HETATM 4038 O O4 . BMA M 3 . C 117.691 67.215 58.720 1.00 47.50 ? 481 BMA A O4 1 HETATM 4039 O O5 . BMA M 3 . C 115.166 69.460 57.274 1.00 44.03 ? 481 BMA A O5 1 HETATM 4040 O O6 . BMA M 3 . C 117.459 70.128 55.515 1.00 54.26 ? 481 BMA A O6 1 HETATM 4041 H H1 . BMA M 3 . C 114.846 70.351 59.169 1.00 0.00 ? 481 BMA A H1 1 HETATM 4042 H H2 . BMA M 3 . C 113.515 68.369 59.981 1.00 0.00 ? 481 BMA A H2 1 HETATM 4043 H H3 . BMA M 3 . C 115.970 68.537 60.175 1.00 0.00 ? 481 BMA A H3 1 HETATM 4044 H H4 . BMA M 3 . C 116.005 66.871 57.612 1.00 0.00 ? 481 BMA A H4 1 HETATM 4045 H H5 . BMA M 3 . C 117.039 69.718 58.173 1.00 0.00 ? 481 BMA A H5 1 HETATM 4046 H H61 . BMA M 3 . C 116.785 68.147 55.529 1.00 0.00 ? 481 BMA A H61 1 HETATM 4047 H H62 . BMA M 3 . C 118.280 68.394 56.393 1.00 0.00 ? 481 BMA A H62 1 HETATM 4048 H HO2 . BMA M 3 . C 113.855 67.905 57.267 1.00 0.00 ? 481 BMA A HO2 1 HETATM 4049 H HO4 . BMA M 3 . C 118.068 66.589 58.084 1.00 0.00 ? 481 BMA A HO4 1 HETATM 4050 C C1 . MAN N 4 . D 116.172 66.371 61.338 1.00 48.55 ? 482 MAN A C1 1 HETATM 4051 C C2 . MAN N 4 . D 116.174 64.942 61.895 1.00 50.50 ? 482 MAN A C2 1 HETATM 4052 C C3 . MAN N 4 . D 114.824 64.600 62.521 1.00 50.12 ? 482 MAN A C3 1 HETATM 4053 C C4 . MAN N 4 . D 114.424 65.679 63.523 1.00 49.73 ? 482 MAN A C4 1 HETATM 4054 C C5 . MAN N 4 . D 114.312 66.981 62.728 1.00 49.62 ? 482 MAN A C5 1 HETATM 4055 C C6 . MAN N 4 . D 113.795 68.196 63.494 1.00 51.05 ? 482 MAN A C6 1 HETATM 4056 O O2 . MAN N 4 . D 117.186 64.830 62.924 1.00 53.90 ? 482 MAN A O2 1 HETATM 4057 O O3 . MAN N 4 . D 114.809 63.353 63.182 1.00 50.77 ? 482 MAN A O3 1 HETATM 4058 O O4 . MAN N 4 . D 113.229 65.315 64.181 1.00 48.53 ? 482 MAN A O4 1 HETATM 4059 O O5 . MAN N 4 . D 115.604 67.310 62.230 1.00 48.77 ? 482 MAN A O5 1 HETATM 4060 O O6 . MAN N 4 . D 113.959 69.353 62.678 1.00 51.87 ? 482 MAN A O6 1 HETATM 4061 H H1 . MAN N 4 . D 117.206 66.686 61.117 1.00 0.00 ? 482 MAN A H1 1 HETATM 4062 H H2 . MAN N 4 . D 116.385 64.251 61.060 1.00 0.00 ? 482 MAN A H2 1 HETATM 4063 H H3 . MAN N 4 . D 114.074 64.569 61.728 1.00 0.00 ? 482 MAN A H3 1 HETATM 4064 H H4 . MAN N 4 . D 115.212 65.810 64.285 1.00 0.00 ? 482 MAN A H4 1 HETATM 4065 H H5 . MAN N 4 . D 113.625 66.837 61.874 1.00 0.00 ? 482 MAN A H5 1 HETATM 4066 H H61 . MAN N 4 . D 114.348 68.309 64.438 1.00 0.00 ? 482 MAN A H61 1 HETATM 4067 H H62 . MAN N 4 . D 112.737 68.038 63.755 1.00 0.00 ? 482 MAN A H62 1 HETATM 4068 H HO3 . MAN N 4 . D 113.867 63.178 63.347 1.00 0.00 ? 482 MAN A HO3 1 HETATM 4069 H HO4 . MAN N 4 . D 113.451 64.656 64.846 1.00 0.00 ? 482 MAN A HO4 1 HETATM 4070 H HO6 . MAN N 4 . D 114.845 69.292 62.302 1.00 0.00 ? 482 MAN A HO6 1 HETATM 4071 C C1 . MAN O 4 . E 118.288 63.913 62.758 1.00 57.94 ? 483 MAN A C1 1 HETATM 4072 C C2 . MAN O 4 . E 118.995 63.730 64.120 1.00 60.08 ? 483 MAN A C2 1 HETATM 4073 C C3 . MAN O 4 . E 119.662 65.054 64.544 1.00 61.17 ? 483 MAN A C3 1 HETATM 4074 C C4 . MAN O 4 . E 120.682 65.438 63.476 1.00 60.98 ? 483 MAN A C4 1 HETATM 4075 C C5 . MAN O 4 . E 120.007 65.559 62.093 1.00 61.32 ? 483 MAN A C5 1 HETATM 4076 C C6 . MAN O 4 . E 121.079 65.705 60.995 1.00 62.36 ? 483 MAN A C6 1 HETATM 4077 O O2 . MAN O 4 . E 119.982 62.704 64.024 1.00 60.90 ? 483 MAN A O2 1 HETATM 4078 O O3 . MAN O 4 . E 120.299 64.984 65.818 1.00 61.38 ? 483 MAN A O3 1 HETATM 4079 O O4 . MAN O 4 . E 121.271 66.683 63.836 1.00 61.97 ? 483 MAN A O4 1 HETATM 4080 O O5 . MAN O 4 . E 119.220 64.371 61.764 1.00 59.53 ? 483 MAN A O5 1 HETATM 4081 O O6 . MAN O 4 . E 120.560 65.304 59.739 1.00 65.24 ? 483 MAN A O6 1 HETATM 4082 H H1 . MAN O 4 . E 117.840 62.966 62.404 1.00 0.00 ? 483 MAN A H1 1 HETATM 4083 H H2 . MAN O 4 . E 118.254 63.449 64.887 1.00 0.00 ? 483 MAN A H2 1 HETATM 4084 H H3 . MAN O 4 . E 118.890 65.841 64.591 1.00 0.00 ? 483 MAN A H3 1 HETATM 4085 H H4 . MAN O 4 . E 121.459 64.655 63.462 1.00 0.00 ? 483 MAN A H4 1 HETATM 4086 H H5 . MAN O 4 . E 119.324 66.424 62.077 1.00 0.00 ? 483 MAN A H5 1 HETATM 4087 H H61 . MAN O 4 . E 121.960 65.093 61.229 1.00 0.00 ? 483 MAN A H61 1 HETATM 4088 H H62 . MAN O 4 . E 121.402 66.755 60.937 1.00 0.00 ? 483 MAN A H62 1 HETATM 4089 H HO2 . MAN O 4 . E 119.586 61.872 64.286 1.00 0.00 ? 483 MAN A HO2 1 HETATM 4090 H HO3 . MAN O 4 . E 120.898 65.740 65.858 1.00 0.00 ? 483 MAN A HO3 1 HETATM 4091 H HO4 . MAN O 4 . E 122.123 66.764 63.399 1.00 0.00 ? 483 MAN A HO4 1 HETATM 4092 H HO6 . MAN O 4 . E 119.806 64.720 59.897 1.00 0.00 ? 483 MAN A HO6 1 HETATM 4093 C C1 . MAN P 4 . F 118.686 70.866 55.813 1.00 57.94 ? 484 MAN A C1 1 HETATM 4094 C C2 . MAN P 4 . F 118.712 72.210 55.086 1.00 59.72 ? 484 MAN A C2 1 HETATM 4095 C C3 . MAN P 4 . F 118.818 72.032 53.565 1.00 60.66 ? 484 MAN A C3 1 HETATM 4096 C C4 . MAN P 4 . F 120.008 71.143 53.209 1.00 61.04 ? 484 MAN A C4 1 HETATM 4097 C C5 . MAN P 4 . F 119.966 69.830 54.053 1.00 60.84 ? 484 MAN A C5 1 HETATM 4098 C C6 . MAN P 4 . F 121.217 68.954 53.917 1.00 61.48 ? 484 MAN A C6 1 HETATM 4099 O O2 . MAN P 4 . F 119.830 72.975 55.515 1.00 60.14 ? 484 MAN A O2 1 HETATM 4100 O O3 . MAN P 4 . F 119.013 73.316 52.989 1.00 61.39 ? 484 MAN A O3 1 HETATM 4101 O O4 . MAN P 4 . F 119.961 70.854 51.813 1.00 61.48 ? 484 MAN A O4 1 HETATM 4102 O O5 . MAN P 4 . F 119.850 70.127 55.457 1.00 59.22 ? 484 MAN A O5 1 HETATM 4103 O O6 . MAN P 4 . F 121.120 67.825 54.781 1.00 63.11 ? 484 MAN A O6 1 HETATM 4104 H H1 . MAN P 4 . F 118.693 70.968 56.913 1.00 0.00 ? 484 MAN A H1 1 HETATM 4105 H H2 . MAN P 4 . F 117.782 72.747 55.336 1.00 0.00 ? 484 MAN A H2 1 HETATM 4106 H H3 . MAN P 4 . F 117.888 71.580 53.185 1.00 0.00 ? 484 MAN A H3 1 HETATM 4107 H H4 . MAN P 4 . F 120.933 71.692 53.441 1.00 0.00 ? 484 MAN A H4 1 HETATM 4108 H H5 . MAN P 4 . F 119.090 69.230 53.750 1.00 0.00 ? 484 MAN A H5 1 HETATM 4109 H H61 . MAN P 4 . F 122.110 69.545 54.175 1.00 0.00 ? 484 MAN A H61 1 HETATM 4110 H H62 . MAN P 4 . F 121.328 68.628 52.873 1.00 0.00 ? 484 MAN A H62 1 HETATM 4111 H HO2 . MAN P 4 . F 119.973 72.797 56.448 1.00 0.00 ? 484 MAN A HO2 1 HETATM 4112 H HO3 . MAN P 4 . F 119.601 73.779 53.597 1.00 0.00 ? 484 MAN A HO3 1 HETATM 4113 H HO4 . MAN P 4 . F 120.855 70.725 51.494 1.00 0.00 ? 484 MAN A HO4 1 HETATM 4114 H HO6 . MAN P 4 . F 121.779 67.867 55.482 1.00 0.00 ? 484 MAN A HO6 1 HETATM 4115 C C1 . NAG Q 2 . A 87.652 91.998 31.497 1.00 77.13 ? 485 NAG A C1 1 HETATM 4116 C C2 . NAG Q 2 . A 88.688 92.979 31.031 1.00 77.55 ? 485 NAG A C2 1 HETATM 4117 C C3 . NAG Q 2 . A 88.110 93.708 29.832 1.00 78.35 ? 485 NAG A C3 1 HETATM 4118 C C4 . NAG Q 2 . A 87.586 92.695 28.763 1.00 78.25 ? 485 NAG A C4 1 HETATM 4119 C C5 . NAG Q 2 . A 86.652 91.636 29.384 1.00 77.43 ? 485 NAG A C5 1 HETATM 4120 C C6 . NAG Q 2 . A 86.154 90.462 28.512 1.00 77.77 ? 485 NAG A C6 1 HETATM 4121 C C7 . NAG Q 2 . A 89.122 93.519 33.381 1.00 76.36 ? 485 NAG A C7 1 HETATM 4122 C C8 . NAG Q 2 . A 89.458 94.500 34.459 1.00 76.01 ? 485 NAG A C8 1 HETATM 4123 N N2 . NAG Q 2 . A 89.023 93.908 32.107 1.00 76.81 ? 485 NAG A N2 1 HETATM 4124 O O3 . NAG Q 2 . A 89.080 94.561 29.252 1.00 79.65 ? 485 NAG A O3 1 HETATM 4125 O O4 . NAG Q 2 . A 86.868 93.447 27.804 1.00 78.92 ? 485 NAG A O4 1 HETATM 4126 O O5 . NAG Q 2 . A 87.327 91.078 30.483 1.00 76.49 ? 485 NAG A O5 1 HETATM 4127 O O6 . NAG Q 2 . A 86.478 90.582 27.135 1.00 78.43 ? 485 NAG A O6 1 HETATM 4128 O O7 . NAG Q 2 . A 88.931 92.352 33.704 1.00 76.57 ? 485 NAG A O7 1 HETATM 4129 H H1 . NAG Q 2 . A 86.749 92.521 31.849 1.00 0.00 ? 485 NAG A H1 1 HETATM 4130 H H2 . NAG Q 2 . A 89.589 92.406 30.753 1.00 0.00 ? 485 NAG A H2 1 HETATM 4131 H H3 . NAG Q 2 . A 87.279 94.338 30.146 1.00 0.00 ? 485 NAG A H3 1 HETATM 4132 H H4 . NAG Q 2 . A 88.433 92.174 28.296 1.00 0.00 ? 485 NAG A H4 1 HETATM 4133 H H5 . NAG Q 2 . A 85.766 92.172 29.756 1.00 0.00 ? 485 NAG A H5 1 HETATM 4134 H H61 . NAG Q 2 . A 85.062 90.359 28.628 1.00 0.00 ? 485 NAG A H61 1 HETATM 4135 H H62 . NAG Q 2 . A 86.558 89.507 28.883 1.00 0.00 ? 485 NAG A H62 1 HETATM 4136 H H81 . NAG Q 2 . A 90.226 94.067 35.093 1.00 0.00 ? 485 NAG A H81 1 HETATM 4137 H H82 . NAG Q 2 . A 88.577 94.689 35.080 1.00 0.00 ? 485 NAG A H82 1 HETATM 4138 H H83 . NAG Q 2 . A 89.882 95.417 34.040 1.00 0.00 ? 485 NAG A H83 1 HETATM 4139 H HN2 . NAG Q 2 . A 89.206 94.839 31.861 1.00 0.00 ? 485 NAG A HN2 1 HETATM 4140 H HO3 . NAG Q 2 . A 89.119 94.423 28.295 1.00 0.00 ? 485 NAG A HO3 1 HETATM 4141 H HO4 . NAG Q 2 . A 87.060 94.387 27.926 1.00 0.00 ? 485 NAG A HO4 1 HETATM 4142 H HO6 . NAG Q 2 . A 85.869 89.992 26.672 1.00 0.00 ? 485 NAG A HO6 1 HETATM 4143 C C1 . NAG R 2 . B 87.698 93.948 24.556 0.00 92.48 ? 486 NAG A C1 1 HETATM 4144 C C2 . NAG R 2 . B 86.727 92.851 24.102 0.00 92.48 ? 486 NAG A C2 1 HETATM 4145 C C3 . NAG R 2 . B 87.520 91.571 23.807 0.00 92.48 ? 486 NAG A C3 1 HETATM 4146 C C4 . NAG R 2 . B 89.015 91.843 23.938 0.00 92.48 ? 486 NAG A C4 1 HETATM 4147 C C5 . NAG R 2 . B 89.304 92.344 25.376 0.00 92.48 ? 486 NAG A C5 1 HETATM 4148 C C6 . NAG R 2 . B 90.753 92.794 25.566 0.00 92.48 ? 486 NAG A C6 1 HETATM 4149 C C7 . NAG R 2 . B 84.739 93.420 25.410 0.00 92.48 ? 486 NAG A C7 1 HETATM 4150 C C8 . NAG R 2 . B 83.799 93.011 26.527 0.00 92.48 ? 486 NAG A C8 1 HETATM 4151 N N2 . NAG R 2 . B 85.750 92.600 25.151 0.00 92.48 ? 486 NAG A N2 1 HETATM 4152 O O3 . NAG R 2 . B 87.289 91.031 22.522 0.00 92.48 ? 486 NAG A O3 1 HETATM 4153 O O4 . NAG R 2 . B 89.690 90.632 23.658 0.00 92.48 ? 486 NAG A O4 1 HETATM 4154 O O5 . NAG R 2 . B 88.460 93.464 25.670 0.00 92.48 ? 486 NAG A O5 1 HETATM 4155 O O6 . NAG R 2 . B 90.974 93.978 24.817 0.00 92.48 ? 486 NAG A O6 1 HETATM 4156 O O7 . NAG R 2 . B 84.625 94.487 24.808 0.00 92.48 ? 486 NAG A O7 1 HETATM 4157 H H1 . NAG R 2 . B 87.188 94.886 24.821 0.00 0.00 ? 486 NAG A H1 1 HETATM 4158 H H2 . NAG R 2 . B 86.223 93.193 23.181 0.00 0.00 ? 486 NAG A H2 1 HETATM 4159 H H3 . NAG R 2 . B 87.260 90.795 24.539 0.00 0.00 ? 486 NAG A H3 1 HETATM 4160 H H4 . NAG R 2 . B 89.350 92.593 23.206 0.00 0.00 ? 486 NAG A H4 1 HETATM 4161 H H5 . NAG R 2 . B 89.064 91.544 26.094 0.00 0.00 ? 486 NAG A H5 1 HETATM 4162 H H61 . NAG R 2 . B 91.439 91.997 25.238 0.00 0.00 ? 486 NAG A H61 1 HETATM 4163 H H62 . NAG R 2 . B 90.944 92.970 26.639 0.00 0.00 ? 486 NAG A H62 1 HETATM 4164 H H81 . NAG R 2 . B 82.951 93.706 26.593 0.00 0.00 ? 486 NAG A H81 1 HETATM 4165 H H82 . NAG R 2 . B 84.341 92.998 27.479 0.00 0.00 ? 486 NAG A H82 1 HETATM 4166 H H83 . NAG R 2 . B 83.406 92.002 26.341 0.00 0.00 ? 486 NAG A H83 1 HETATM 4167 H HN2 . NAG R 2 . B 85.927 91.881 25.792 0.00 0.00 ? 486 NAG A HN2 1 HETATM 4168 H HO3 . NAG R 2 . B 88.078 90.530 22.271 0.00 0.00 ? 486 NAG A HO3 1 HETATM 4169 H HO4 . NAG R 2 . B 89.398 89.946 24.267 0.00 0.00 ? 486 NAG A HO4 1 HETATM 4170 H HO6 . NAG R 2 . B 91.594 93.789 24.105 0.00 0.00 ? 486 NAG A HO6 1 HETATM 4171 CA CA . CA S 7 . ? 93.421 103.933 63.670 1.00 45.56 ? 1 CA A CA 1 HETATM 4172 O O . HOH T 8 . ? 94.568 92.751 57.840 1.00 25.95 ? 487 HOH A O 1 HETATM 4173 H H1 . HOH T 8 . ? 94.399 91.935 58.321 1.00 0.00 ? 487 HOH A H1 1 HETATM 4174 H H2 . HOH T 8 . ? 95.491 92.946 58.067 1.00 0.00 ? 487 HOH A H2 1 HETATM 4175 O O . HOH T 8 . ? 75.043 94.008 79.855 1.00 73.03 ? 488 HOH A O 1 HETATM 4176 H H1 . HOH T 8 . ? 75.305 94.001 80.779 1.00 0.00 ? 488 HOH A H1 1 HETATM 4177 H H2 . HOH T 8 . ? 75.902 93.861 79.444 1.00 0.00 ? 488 HOH A H2 1 HETATM 4178 O O . HOH T 8 . ? 84.266 91.176 59.263 1.00 7.05 ? 489 HOH A O 1 HETATM 4179 H H1 . HOH T 8 . ? 83.524 90.628 59.006 1.00 0.00 ? 489 HOH A H1 1 HETATM 4180 H H2 . HOH T 8 . ? 84.968 90.776 58.722 1.00 0.00 ? 489 HOH A H2 1 HETATM 4181 O O . HOH T 8 . ? 104.586 104.479 46.450 1.00 27.76 ? 490 HOH A O 1 HETATM 4182 H H1 . HOH T 8 . ? 104.509 104.569 47.406 1.00 0.00 ? 490 HOH A H1 1 HETATM 4183 H H2 . HOH T 8 . ? 105.482 104.784 46.279 1.00 0.00 ? 490 HOH A H2 1 HETATM 4184 O O . HOH T 8 . ? 103.084 102.698 51.150 1.00 32.45 ? 491 HOH A O 1 HETATM 4185 H H1 . HOH T 8 . ? 102.346 102.431 51.703 1.00 0.00 ? 491 HOH A H1 1 HETATM 4186 H H2 . HOH T 8 . ? 102.725 103.489 50.738 1.00 0.00 ? 491 HOH A H2 1 HETATM 4187 O O . HOH T 8 . ? 76.692 111.512 62.185 1.00 42.25 ? 492 HOH A O 1 HETATM 4188 H H1 . HOH T 8 . ? 75.899 111.439 61.627 1.00 0.00 ? 492 HOH A H1 1 HETATM 4189 H H2 . HOH T 8 . ? 76.778 110.630 62.553 1.00 0.00 ? 492 HOH A H2 1 HETATM 4190 O O . HOH T 8 . ? 70.397 76.318 54.465 1.00 44.27 ? 493 HOH A O 1 HETATM 4191 H H1 . HOH T 8 . ? 69.667 76.014 55.010 1.00 0.00 ? 493 HOH A H1 1 HETATM 4192 H H2 . HOH T 8 . ? 69.942 76.851 53.815 1.00 0.00 ? 493 HOH A H2 1 HETATM 4193 O O . HOH T 8 . ? 69.075 71.559 60.035 1.00 44.20 ? 494 HOH A O 1 HETATM 4194 H H1 . HOH T 8 . ? 70.018 71.282 59.958 1.00 0.00 ? 494 HOH A H1 1 HETATM 4195 H H2 . HOH T 8 . ? 69.009 72.199 59.305 1.00 0.00 ? 494 HOH A H2 1 HETATM 4196 O O . HOH T 8 . ? 68.219 71.043 62.870 1.00 32.87 ? 495 HOH A O 1 HETATM 4197 H H1 . HOH T 8 . ? 69.065 71.238 63.315 1.00 0.00 ? 495 HOH A H1 1 HETATM 4198 H H2 . HOH T 8 . ? 68.533 71.023 61.950 1.00 0.00 ? 495 HOH A H2 1 HETATM 4199 O O . HOH T 8 . ? 73.210 76.854 55.549 1.00 30.48 ? 496 HOH A O 1 HETATM 4200 H H1 . HOH T 8 . ? 72.740 76.964 56.380 1.00 0.00 ? 496 HOH A H1 1 HETATM 4201 H H2 . HOH T 8 . ? 72.514 76.512 54.952 1.00 0.00 ? 496 HOH A H2 1 HETATM 4202 O O . HOH T 8 . ? 74.400 75.873 52.253 1.00 45.67 ? 497 HOH A O 1 HETATM 4203 H H1 . HOH T 8 . ? 75.209 75.565 52.665 1.00 0.00 ? 497 HOH A H1 1 HETATM 4204 H H2 . HOH T 8 . ? 74.013 75.095 51.856 1.00 0.00 ? 497 HOH A H2 1 HETATM 4205 O O . HOH T 8 . ? 84.822 84.618 69.551 1.00 28.77 ? 498 HOH A O 1 HETATM 4206 H H1 . HOH T 8 . ? 84.122 85.209 69.248 1.00 0.00 ? 498 HOH A H1 1 HETATM 4207 H H2 . HOH T 8 . ? 85.297 85.106 70.232 1.00 0.00 ? 498 HOH A H2 1 HETATM 4208 O O . HOH T 8 . ? 87.886 89.200 70.023 1.00 55.48 ? 499 HOH A O 1 HETATM 4209 H H1 . HOH T 8 . ? 87.820 90.091 70.363 1.00 0.00 ? 499 HOH A H1 1 HETATM 4210 H H2 . HOH T 8 . ? 88.493 88.761 70.637 1.00 0.00 ? 499 HOH A H2 1 HETATM 4211 O O . HOH T 8 . ? 89.893 81.790 71.259 1.00 32.92 ? 500 HOH A O 1 HETATM 4212 H H1 . HOH T 8 . ? 89.815 82.515 70.623 1.00 0.00 ? 500 HOH A H1 1 HETATM 4213 H H2 . HOH T 8 . ? 89.471 81.087 70.749 1.00 0.00 ? 500 HOH A H2 1 HETATM 4214 O O . HOH T 8 . ? 88.562 77.701 74.125 1.00 47.52 ? 501 HOH A O 1 HETATM 4215 H H1 . HOH T 8 . ? 88.744 78.277 73.385 1.00 0.00 ? 501 HOH A H1 1 HETATM 4216 H H2 . HOH T 8 . ? 88.021 78.252 74.703 1.00 0.00 ? 501 HOH A H2 1 HETATM 4217 O O . HOH T 8 . ? 86.110 85.434 76.466 1.00 36.85 ? 502 HOH A O 1 HETATM 4218 H H1 . HOH T 8 . ? 85.727 85.112 77.303 1.00 0.00 ? 502 HOH A H1 1 HETATM 4219 H H2 . HOH T 8 . ? 86.045 86.397 76.538 1.00 0.00 ? 502 HOH A H2 1 HETATM 4220 O O . HOH T 8 . ? 68.534 86.503 55.500 1.00 16.19 ? 503 HOH A O 1 HETATM 4221 H H1 . HOH T 8 . ? 68.196 86.997 54.733 1.00 0.00 ? 503 HOH A H1 1 HETATM 4222 H H2 . HOH T 8 . ? 68.468 85.592 55.188 1.00 0.00 ? 503 HOH A H2 1 HETATM 4223 O O . HOH T 8 . ? 67.150 87.410 58.666 1.00 27.06 ? 504 HOH A O 1 HETATM 4224 H H1 . HOH T 8 . ? 67.200 87.105 59.589 1.00 0.00 ? 504 HOH A H1 1 HETATM 4225 H H2 . HOH T 8 . ? 67.234 86.598 58.135 1.00 0.00 ? 504 HOH A H2 1 HETATM 4226 O O . HOH T 8 . ? 78.918 72.663 62.826 1.00 8.44 ? 505 HOH A O 1 HETATM 4227 H H1 . HOH T 8 . ? 79.173 72.309 61.972 1.00 0.00 ? 505 HOH A H1 1 HETATM 4228 H H2 . HOH T 8 . ? 79.623 72.363 63.401 1.00 0.00 ? 505 HOH A H2 1 HETATM 4229 O O . HOH T 8 . ? 71.603 87.190 59.293 1.00 21.61 ? 506 HOH A O 1 HETATM 4230 H H1 . HOH T 8 . ? 70.695 87.062 58.980 1.00 0.00 ? 506 HOH A H1 1 HETATM 4231 H H2 . HOH T 8 . ? 71.901 87.844 58.652 1.00 0.00 ? 506 HOH A H2 1 HETATM 4232 O O . HOH T 8 . ? 67.526 87.461 52.539 1.00 36.32 ? 507 HOH A O 1 HETATM 4233 H H1 . HOH T 8 . ? 66.911 88.188 52.669 1.00 0.00 ? 507 HOH A H1 1 HETATM 4234 H H2 . HOH T 8 . ? 66.935 86.739 52.292 1.00 0.00 ? 507 HOH A H2 1 HETATM 4235 O O . HOH T 8 . ? 69.858 85.803 49.708 1.00 49.45 ? 508 HOH A O 1 HETATM 4236 H H1 . HOH T 8 . ? 69.380 86.322 50.373 1.00 0.00 ? 508 HOH A H1 1 HETATM 4237 H H2 . HOH T 8 . ? 69.836 86.382 48.937 1.00 0.00 ? 508 HOH A H2 1 HETATM 4238 O O . HOH T 8 . ? 65.804 84.915 50.413 1.00 23.15 ? 509 HOH A O 1 HETATM 4239 H H1 . HOH T 8 . ? 65.112 85.138 49.802 1.00 0.00 ? 509 HOH A H1 1 HETATM 4240 H H2 . HOH T 8 . ? 66.216 84.122 50.054 1.00 0.00 ? 509 HOH A H2 1 HETATM 4241 O O . HOH T 8 . ? 81.405 86.596 46.239 1.00 12.80 ? 510 HOH A O 1 HETATM 4242 H H1 . HOH T 8 . ? 80.463 86.687 46.039 1.00 0.00 ? 510 HOH A H1 1 HETATM 4243 H H2 . HOH T 8 . ? 81.774 87.440 45.930 1.00 0.00 ? 510 HOH A H2 1 HETATM 4244 O O . HOH T 8 . ? 83.225 88.943 45.069 1.00 25.71 ? 511 HOH A O 1 HETATM 4245 H H1 . HOH T 8 . ? 83.907 89.118 45.735 1.00 0.00 ? 511 HOH A H1 1 HETATM 4246 H H2 . HOH T 8 . ? 82.618 89.706 45.242 1.00 0.00 ? 511 HOH A H2 1 HETATM 4247 O O . HOH T 8 . ? 83.595 88.239 42.563 1.00 14.47 ? 512 HOH A O 1 HETATM 4248 H H1 . HOH T 8 . ? 83.388 88.466 43.495 1.00 0.00 ? 512 HOH A H1 1 HETATM 4249 H H2 . HOH T 8 . ? 82.974 87.526 42.382 1.00 0.00 ? 512 HOH A H2 1 HETATM 4250 O O . HOH T 8 . ? 81.913 90.790 52.607 1.00 22.81 ? 513 HOH A O 1 HETATM 4251 H H1 . HOH T 8 . ? 81.025 90.500 52.357 1.00 0.00 ? 513 HOH A H1 1 HETATM 4252 H H2 . HOH T 8 . ? 81.907 91.725 52.342 1.00 0.00 ? 513 HOH A H2 1 HETATM 4253 O O . HOH T 8 . ? 82.580 76.183 44.631 1.00 25.24 ? 514 HOH A O 1 HETATM 4254 H H1 . HOH T 8 . ? 82.737 75.397 44.090 1.00 0.00 ? 514 HOH A H1 1 HETATM 4255 H H2 . HOH T 8 . ? 81.864 75.877 45.197 1.00 0.00 ? 514 HOH A H2 1 HETATM 4256 O O . HOH T 8 . ? 103.936 72.551 61.419 1.00 16.82 ? 515 HOH A O 1 HETATM 4257 H H1 . HOH T 8 . ? 103.680 72.493 60.475 1.00 0.00 ? 515 HOH A H1 1 HETATM 4258 H H2 . HOH T 8 . ? 103.315 71.936 61.841 1.00 0.00 ? 515 HOH A H2 1 HETATM 4259 O O . HOH T 8 . ? 103.685 72.933 58.874 1.00 19.00 ? 516 HOH A O 1 HETATM 4260 H H1 . HOH T 8 . ? 103.451 73.864 58.725 1.00 0.00 ? 516 HOH A H1 1 HETATM 4261 H H2 . HOH T 8 . ? 104.640 73.006 58.695 1.00 0.00 ? 516 HOH A H2 1 HETATM 4262 O O . HOH T 8 . ? 82.918 71.923 45.129 1.00 38.53 ? 517 HOH A O 1 HETATM 4263 H H1 . HOH T 8 . ? 83.342 71.617 44.317 1.00 0.00 ? 517 HOH A H1 1 HETATM 4264 H H2 . HOH T 8 . ? 82.839 71.089 45.602 1.00 0.00 ? 517 HOH A H2 1 HETATM 4265 O O . HOH T 8 . ? 91.918 74.766 39.737 1.00 27.61 ? 518 HOH A O 1 HETATM 4266 H H1 . HOH T 8 . ? 91.435 75.414 39.219 1.00 0.00 ? 518 HOH A H1 1 HETATM 4267 H H2 . HOH T 8 . ? 92.430 75.339 40.322 1.00 0.00 ? 518 HOH A H2 1 HETATM 4268 O O . HOH T 8 . ? 93.074 72.075 40.321 1.00 63.27 ? 519 HOH A O 1 HETATM 4269 H H1 . HOH T 8 . ? 93.465 72.486 41.105 1.00 0.00 ? 519 HOH A H1 1 HETATM 4270 H H2 . HOH T 8 . ? 92.427 72.747 40.012 1.00 0.00 ? 519 HOH A H2 1 HETATM 4271 O O . HOH T 8 . ? 92.501 69.063 48.201 1.00 20.33 ? 520 HOH A O 1 HETATM 4272 H H1 . HOH T 8 . ? 93.248 69.249 48.786 1.00 0.00 ? 520 HOH A H1 1 HETATM 4273 H H2 . HOH T 8 . ? 92.029 68.378 48.696 1.00 0.00 ? 520 HOH A H2 1 HETATM 4274 O O . HOH T 8 . ? 93.932 69.210 45.901 1.00 8.88 ? 521 HOH A O 1 HETATM 4275 H H1 . HOH T 8 . ? 94.840 69.187 46.236 1.00 0.00 ? 521 HOH A H1 1 HETATM 4276 H H2 . HOH T 8 . ? 93.391 69.081 46.698 1.00 0.00 ? 521 HOH A H2 1 HETATM 4277 O O . HOH T 8 . ? 93.568 68.705 43.275 1.00 18.55 ? 522 HOH A O 1 HETATM 4278 H H1 . HOH T 8 . ? 92.639 68.481 43.193 1.00 0.00 ? 522 HOH A H1 1 HETATM 4279 H H2 . HOH T 8 . ? 93.665 68.940 44.225 1.00 0.00 ? 522 HOH A H2 1 HETATM 4280 O O . HOH T 8 . ? 87.503 66.562 44.467 1.00 26.22 ? 523 HOH A O 1 HETATM 4281 H H1 . HOH T 8 . ? 87.287 66.834 43.572 1.00 0.00 ? 523 HOH A H1 1 HETATM 4282 H H2 . HOH T 8 . ? 87.752 65.642 44.356 1.00 0.00 ? 523 HOH A H2 1 HETATM 4283 O O . HOH T 8 . ? 89.333 82.233 40.066 1.00 25.88 ? 524 HOH A O 1 HETATM 4284 H H1 . HOH T 8 . ? 88.612 81.721 39.682 1.00 0.00 ? 524 HOH A H1 1 HETATM 4285 H H2 . HOH T 8 . ? 89.225 83.089 39.631 1.00 0.00 ? 524 HOH A H2 1 HETATM 4286 O O . HOH T 8 . ? 90.425 82.025 42.417 1.00 15.92 ? 525 HOH A O 1 HETATM 4287 H H1 . HOH T 8 . ? 89.831 82.046 41.631 1.00 0.00 ? 525 HOH A H1 1 HETATM 4288 H H2 . HOH T 8 . ? 90.721 82.941 42.412 1.00 0.00 ? 525 HOH A H2 1 HETATM 4289 O O . HOH T 8 . ? 86.996 86.015 58.687 1.00 34.94 ? 526 HOH A O 1 HETATM 4290 H H1 . HOH T 8 . ? 86.273 85.397 58.534 1.00 0.00 ? 526 HOH A H1 1 HETATM 4291 H H2 . HOH T 8 . ? 86.550 86.647 59.274 1.00 0.00 ? 526 HOH A H2 1 HETATM 4292 O O . HOH T 8 . ? 93.520 92.999 54.595 1.00 28.99 ? 527 HOH A O 1 HETATM 4293 H H1 . HOH T 8 . ? 94.168 92.517 54.064 1.00 0.00 ? 527 HOH A H1 1 HETATM 4294 H H2 . HOH T 8 . ? 93.963 93.079 55.455 1.00 0.00 ? 527 HOH A H2 1 HETATM 4295 O O . HOH T 8 . ? 84.913 93.401 51.226 1.00 24.89 ? 528 HOH A O 1 HETATM 4296 H H1 . HOH T 8 . ? 85.089 92.638 51.789 1.00 0.00 ? 528 HOH A H1 1 HETATM 4297 H H2 . HOH T 8 . ? 84.791 92.980 50.367 1.00 0.00 ? 528 HOH A H2 1 HETATM 4298 O O . HOH T 8 . ? 81.554 91.008 45.670 1.00 25.08 ? 529 HOH A O 1 HETATM 4299 H H1 . HOH T 8 . ? 81.758 91.933 45.867 1.00 0.00 ? 529 HOH A H1 1 HETATM 4300 H H2 . HOH T 8 . ? 80.591 90.967 45.684 1.00 0.00 ? 529 HOH A H2 1 HETATM 4301 O O . HOH T 8 . ? 82.085 94.095 47.764 1.00 26.80 ? 530 HOH A O 1 HETATM 4302 H H1 . HOH T 8 . ? 82.870 94.344 48.275 1.00 0.00 ? 530 HOH A H1 1 HETATM 4303 H H2 . HOH T 8 . ? 81.467 94.809 47.951 1.00 0.00 ? 530 HOH A H2 1 HETATM 4304 O O . HOH T 8 . ? 102.780 99.660 56.558 1.00 47.18 ? 531 HOH A O 1 HETATM 4305 H H1 . HOH T 8 . ? 103.349 99.477 55.796 1.00 0.00 ? 531 HOH A H1 1 HETATM 4306 H H2 . HOH T 8 . ? 102.638 100.619 56.470 1.00 0.00 ? 531 HOH A H2 1 HETATM 4307 O O . HOH T 8 . ? 100.367 98.172 56.293 1.00 34.96 ? 532 HOH A O 1 HETATM 4308 H H1 . HOH T 8 . ? 101.272 98.540 56.373 1.00 0.00 ? 532 HOH A H1 1 HETATM 4309 H H2 . HOH T 8 . ? 100.468 97.256 56.591 1.00 0.00 ? 532 HOH A H2 1 HETATM 4310 O O . HOH T 8 . ? 102.622 97.552 42.885 1.00 25.74 ? 533 HOH A O 1 HETATM 4311 H H1 . HOH T 8 . ? 102.363 96.715 42.499 1.00 0.00 ? 533 HOH A H1 1 HETATM 4312 H H2 . HOH T 8 . ? 102.483 97.435 43.835 1.00 0.00 ? 533 HOH A H2 1 HETATM 4313 O O . HOH T 8 . ? 87.642 101.877 39.418 1.00 54.39 ? 534 HOH A O 1 HETATM 4314 H H1 . HOH T 8 . ? 86.994 101.163 39.333 1.00 0.00 ? 534 HOH A H1 1 HETATM 4315 H H2 . HOH T 8 . ? 87.301 102.528 38.801 1.00 0.00 ? 534 HOH A H2 1 HETATM 4316 O O . HOH T 8 . ? 90.530 100.872 41.066 1.00 33.52 ? 535 HOH A O 1 HETATM 4317 H H1 . HOH T 8 . ? 89.836 101.088 40.425 1.00 0.00 ? 535 HOH A H1 1 HETATM 4318 H H2 . HOH T 8 . ? 90.059 100.594 41.854 1.00 0.00 ? 535 HOH A H2 1 HETATM 4319 O O . HOH T 8 . ? 81.795 97.076 39.253 1.00 23.39 ? 536 HOH A O 1 HETATM 4320 H H1 . HOH T 8 . ? 81.309 96.483 38.668 1.00 0.00 ? 536 HOH A H1 1 HETATM 4321 H H2 . HOH T 8 . ? 81.083 97.578 39.665 1.00 0.00 ? 536 HOH A H2 1 HETATM 4322 O O . HOH T 8 . ? 84.220 99.508 51.638 1.00 27.02 ? 537 HOH A O 1 HETATM 4323 H H1 . HOH T 8 . ? 84.953 99.070 51.183 1.00 0.00 ? 537 HOH A H1 1 HETATM 4324 H H2 . HOH T 8 . ? 83.837 100.061 50.944 1.00 0.00 ? 537 HOH A H2 1 HETATM 4325 O O . HOH T 8 . ? 85.377 106.402 56.264 1.00 32.97 ? 538 HOH A O 1 HETATM 4326 H H1 . HOH T 8 . ? 84.800 106.281 57.028 1.00 0.00 ? 538 HOH A H1 1 HETATM 4327 H H2 . HOH T 8 . ? 85.141 105.591 55.792 1.00 0.00 ? 538 HOH A H2 1 HETATM 4328 O O . HOH T 8 . ? 88.245 98.245 57.087 1.00 29.62 ? 539 HOH A O 1 HETATM 4329 H H1 . HOH T 8 . ? 87.597 98.592 56.447 1.00 0.00 ? 539 HOH A H1 1 HETATM 4330 H H2 . HOH T 8 . ? 88.337 97.320 56.811 1.00 0.00 ? 539 HOH A H2 1 HETATM 4331 O O . HOH T 8 . ? 82.656 101.506 58.358 1.00 24.67 ? 540 HOH A O 1 HETATM 4332 H H1 . HOH T 8 . ? 81.928 100.918 58.649 1.00 0.00 ? 540 HOH A H1 1 HETATM 4333 H H2 . HOH T 8 . ? 82.202 102.348 58.201 1.00 0.00 ? 540 HOH A H2 1 HETATM 4334 O O . HOH T 8 . ? 87.813 107.735 57.315 1.00 23.31 ? 541 HOH A O 1 HETATM 4335 H H1 . HOH T 8 . ? 87.289 107.059 56.833 1.00 0.00 ? 541 HOH A H1 1 HETATM 4336 H H2 . HOH T 8 . ? 87.738 108.566 56.788 1.00 0.00 ? 541 HOH A H2 1 HETATM 4337 O O . HOH T 8 . ? 94.901 101.154 40.677 1.00 29.08 ? 542 HOH A O 1 HETATM 4338 H H1 . HOH T 8 . ? 95.147 100.793 41.537 1.00 0.00 ? 542 HOH A H1 1 HETATM 4339 H H2 . HOH T 8 . ? 94.093 101.644 40.847 1.00 0.00 ? 542 HOH A H2 1 HETATM 4340 O O . HOH T 8 . ? 78.431 117.111 59.581 1.00 46.67 ? 543 HOH A O 1 HETATM 4341 H H1 . HOH T 8 . ? 79.075 116.748 60.208 1.00 0.00 ? 543 HOH A H1 1 HETATM 4342 H H2 . HOH T 8 . ? 78.994 117.603 58.971 1.00 0.00 ? 543 HOH A H2 1 HETATM 4343 O O . HOH T 8 . ? 82.565 98.711 62.086 1.00 15.25 ? 544 HOH A O 1 HETATM 4344 H H1 . HOH T 8 . ? 83.086 98.364 61.359 1.00 0.00 ? 544 HOH A H1 1 HETATM 4345 H H2 . HOH T 8 . ? 83.191 99.287 62.537 1.00 0.00 ? 544 HOH A H2 1 HETATM 4346 O O . HOH T 8 . ? 83.271 101.155 60.923 1.00 22.64 ? 545 HOH A O 1 HETATM 4347 H H1 . HOH T 8 . ? 82.647 100.420 61.024 1.00 0.00 ? 545 HOH A H1 1 HETATM 4348 H H2 . HOH T 8 . ? 83.244 101.339 59.969 1.00 0.00 ? 545 HOH A H2 1 HETATM 4349 O O . HOH T 8 . ? 87.887 100.090 68.358 1.00 29.76 ? 546 HOH A O 1 HETATM 4350 H H1 . HOH T 8 . ? 88.502 100.433 67.703 1.00 0.00 ? 546 HOH A H1 1 HETATM 4351 H H2 . HOH T 8 . ? 88.389 99.394 68.782 1.00 0.00 ? 546 HOH A H2 1 HETATM 4352 O O . HOH T 8 . ? 84.456 98.378 72.114 1.00 54.59 ? 547 HOH A O 1 HETATM 4353 H H1 . HOH T 8 . ? 83.873 97.668 71.816 1.00 0.00 ? 547 HOH A H1 1 HETATM 4354 H H2 . HOH T 8 . ? 84.408 98.279 73.072 1.00 0.00 ? 547 HOH A H2 1 HETATM 4355 O O . HOH T 8 . ? 85.011 112.353 62.736 1.00 28.72 ? 548 HOH A O 1 HETATM 4356 H H1 . HOH T 8 . ? 85.324 112.266 61.824 1.00 0.00 ? 548 HOH A H1 1 HETATM 4357 H H2 . HOH T 8 . ? 84.352 111.640 62.734 1.00 0.00 ? 548 HOH A H2 1 HETATM 4358 O O . HOH T 8 . ? 89.584 112.021 64.035 1.00 50.89 ? 549 HOH A O 1 HETATM 4359 H H1 . HOH T 8 . ? 89.800 112.926 63.791 1.00 0.00 ? 549 HOH A H1 1 HETATM 4360 H H2 . HOH T 8 . ? 89.003 111.730 63.319 1.00 0.00 ? 549 HOH A H2 1 HETATM 4361 O O . HOH T 8 . ? 78.497 115.204 61.639 1.00 27.29 ? 550 HOH A O 1 HETATM 4362 H H1 . HOH T 8 . ? 78.011 115.019 62.451 1.00 0.00 ? 550 HOH A H1 1 HETATM 4363 H H2 . HOH T 8 . ? 77.803 115.542 61.066 1.00 0.00 ? 550 HOH A H2 1 HETATM 4364 O O . HOH T 8 . ? 88.509 110.209 56.068 1.00 23.06 ? 551 HOH A O 1 HETATM 4365 H H1 . HOH T 8 . ? 88.206 111.113 56.219 1.00 0.00 ? 551 HOH A H1 1 HETATM 4366 H H2 . HOH T 8 . ? 89.104 110.368 55.326 1.00 0.00 ? 551 HOH A H2 1 HETATM 4367 O O . HOH T 8 . ? 94.345 119.482 51.174 1.00 67.14 ? 552 HOH A O 1 HETATM 4368 H H1 . HOH T 8 . ? 94.020 120.045 50.469 1.00 0.00 ? 552 HOH A H1 1 HETATM 4369 H H2 . HOH T 8 . ? 94.321 118.602 50.790 1.00 0.00 ? 552 HOH A H2 1 HETATM 4370 O O . HOH T 8 . ? 94.889 113.538 56.473 1.00 49.50 ? 553 HOH A O 1 HETATM 4371 H H1 . HOH T 8 . ? 95.210 113.193 57.313 1.00 0.00 ? 553 HOH A H1 1 HETATM 4372 H H2 . HOH T 8 . ? 95.493 113.109 55.851 1.00 0.00 ? 553 HOH A H2 1 HETATM 4373 O O . HOH T 8 . ? 83.988 104.233 57.607 1.00 25.26 ? 554 HOH A O 1 HETATM 4374 H H1 . HOH T 8 . ? 83.427 104.238 58.398 1.00 0.00 ? 554 HOH A H1 1 HETATM 4375 H H2 . HOH T 8 . ? 84.042 103.287 57.409 1.00 0.00 ? 554 HOH A H2 1 HETATM 4376 O O . HOH T 8 . ? 81.484 95.719 70.869 1.00 40.19 ? 555 HOH A O 1 HETATM 4377 H H1 . HOH T 8 . ? 81.158 96.511 71.297 1.00 0.00 ? 555 HOH A H1 1 HETATM 4378 H H2 . HOH T 8 . ? 81.135 95.787 69.973 1.00 0.00 ? 555 HOH A H2 1 HETATM 4379 O O . HOH T 8 . ? 72.470 106.082 55.513 1.00 31.31 ? 556 HOH A O 1 HETATM 4380 H H1 . HOH T 8 . ? 72.012 106.881 55.209 1.00 0.00 ? 556 HOH A H1 1 HETATM 4381 H H2 . HOH T 8 . ? 72.607 106.293 56.443 1.00 0.00 ? 556 HOH A H2 1 HETATM 4382 O O . HOH T 8 . ? 68.176 108.853 55.985 1.00 21.75 ? 557 HOH A O 1 HETATM 4383 H H1 . HOH T 8 . ? 68.999 108.385 56.188 1.00 0.00 ? 557 HOH A H1 1 HETATM 4384 H H2 . HOH T 8 . ? 67.747 108.225 55.393 1.00 0.00 ? 557 HOH A H2 1 HETATM 4385 O O . HOH T 8 . ? 74.237 95.147 70.242 1.00 19.29 ? 558 HOH A O 1 HETATM 4386 H H1 . HOH T 8 . ? 74.519 95.954 69.781 1.00 0.00 ? 558 HOH A H1 1 HETATM 4387 H H2 . HOH T 8 . ? 75.041 94.618 70.131 1.00 0.00 ? 558 HOH A H2 1 HETATM 4388 O O . HOH T 8 . ? 74.470 95.535 72.971 1.00 31.44 ? 559 HOH A O 1 HETATM 4389 H H1 . HOH T 8 . ? 74.229 95.199 72.093 1.00 0.00 ? 559 HOH A H1 1 HETATM 4390 H H2 . HOH T 8 . ? 73.611 95.765 73.361 1.00 0.00 ? 559 HOH A H2 1 HETATM 4391 O O . HOH T 8 . ? 66.121 94.592 71.737 1.00 61.83 ? 560 HOH A O 1 HETATM 4392 H H1 . HOH T 8 . ? 66.404 95.506 71.627 1.00 0.00 ? 560 HOH A H1 1 HETATM 4393 H H2 . HOH T 8 . ? 65.862 94.556 72.668 1.00 0.00 ? 560 HOH A H2 1 HETATM 4394 O O . HOH T 8 . ? 71.586 89.674 65.279 1.00 13.95 ? 561 HOH A O 1 HETATM 4395 H H1 . HOH T 8 . ? 71.574 90.222 64.480 1.00 0.00 ? 561 HOH A H1 1 HETATM 4396 H H2 . HOH T 8 . ? 71.311 90.289 65.979 1.00 0.00 ? 561 HOH A H2 1 HETATM 4397 O O . HOH T 8 . ? 69.631 99.884 45.564 1.00 33.76 ? 562 HOH A O 1 HETATM 4398 H H1 . HOH T 8 . ? 69.493 99.338 46.356 1.00 0.00 ? 562 HOH A H1 1 HETATM 4399 H H2 . HOH T 8 . ? 69.254 99.330 44.875 1.00 0.00 ? 562 HOH A H2 1 HETATM 4400 O O . HOH T 8 . ? 67.794 106.849 61.631 1.00 18.81 ? 563 HOH A O 1 HETATM 4401 H H1 . HOH T 8 . ? 67.213 106.073 61.508 1.00 0.00 ? 563 HOH A H1 1 HETATM 4402 H H2 . HOH T 8 . ? 67.646 107.015 62.592 1.00 0.00 ? 563 HOH A H2 1 HETATM 4403 O O . HOH T 8 . ? 67.125 106.942 64.201 1.00 53.44 ? 564 HOH A O 1 HETATM 4404 H H1 . HOH T 8 . ? 67.111 106.206 64.826 1.00 0.00 ? 564 HOH A H1 1 HETATM 4405 H H2 . HOH T 8 . ? 66.640 107.640 64.654 1.00 0.00 ? 564 HOH A H2 1 HETATM 4406 O O . HOH T 8 . ? 67.089 108.084 59.480 1.00 24.34 ? 565 HOH A O 1 HETATM 4407 H H1 . HOH T 8 . ? 67.962 108.228 59.108 1.00 0.00 ? 565 HOH A H1 1 HETATM 4408 H H2 . HOH T 8 . ? 67.291 107.688 60.355 1.00 0.00 ? 565 HOH A H2 1 HETATM 4409 O O . HOH T 8 . ? 77.233 82.294 69.808 1.00 39.09 ? 566 HOH A O 1 HETATM 4410 H H1 . HOH T 8 . ? 77.501 81.598 69.207 1.00 0.00 ? 566 HOH A H1 1 HETATM 4411 H H2 . HOH T 8 . ? 76.380 81.983 70.134 1.00 0.00 ? 566 HOH A H2 1 HETATM 4412 O O . HOH T 8 . ? 77.292 82.277 66.082 1.00 37.96 ? 567 HOH A O 1 HETATM 4413 H H1 . HOH T 8 . ? 76.982 83.071 66.533 1.00 0.00 ? 567 HOH A H1 1 HETATM 4414 H H2 . HOH T 8 . ? 77.761 81.827 66.796 1.00 0.00 ? 567 HOH A H2 1 HETATM 4415 O O . HOH T 8 . ? 76.956 85.358 63.890 1.00 38.16 ? 568 HOH A O 1 HETATM 4416 H H1 . HOH T 8 . ? 76.773 84.611 64.472 1.00 0.00 ? 568 HOH A H1 1 HETATM 4417 H H2 . HOH T 8 . ? 76.971 84.952 63.019 1.00 0.00 ? 568 HOH A H2 1 HETATM 4418 O O . HOH T 8 . ? 75.860 74.593 73.247 1.00 22.89 ? 569 HOH A O 1 HETATM 4419 H H1 . HOH T 8 . ? 76.540 74.031 72.841 1.00 0.00 ? 569 HOH A H1 1 HETATM 4420 H H2 . HOH T 8 . ? 75.893 74.278 74.158 1.00 0.00 ? 569 HOH A H2 1 HETATM 4421 O O . HOH T 8 . ? 70.463 72.477 69.426 1.00 42.18 ? 570 HOH A O 1 HETATM 4422 H H1 . HOH T 8 . ? 71.127 71.991 69.926 1.00 0.00 ? 570 HOH A H1 1 HETATM 4423 H H2 . HOH T 8 . ? 70.559 72.127 68.538 1.00 0.00 ? 570 HOH A H2 1 HETATM 4424 O O . HOH T 8 . ? 75.194 88.623 42.496 1.00 29.64 ? 571 HOH A O 1 HETATM 4425 H H1 . HOH T 8 . ? 75.684 88.542 41.654 1.00 0.00 ? 571 HOH A H1 1 HETATM 4426 H H2 . HOH T 8 . ? 75.815 88.234 43.121 1.00 0.00 ? 571 HOH A H2 1 HETATM 4427 O O . HOH T 8 . ? 76.588 87.992 40.247 1.00 47.57 ? 572 HOH A O 1 HETATM 4428 H H1 . HOH T 8 . ? 76.042 87.925 39.452 1.00 0.00 ? 572 HOH A H1 1 HETATM 4429 H H2 . HOH T 8 . ? 77.103 87.185 40.213 1.00 0.00 ? 572 HOH A H2 1 # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.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 VAL 1 82 82 VAL VAL A . n A 1 2 GLU 2 83 83 GLU GLU A . n A 1 3 TYR 3 84 84 TYR TYR A . n A 1 4 ARG 4 85 85 ARG ARG A . n A 1 5 ASN 5 86 86 ASN ASN A . n A 1 6 TRP 6 87 87 TRP TRP A . n A 1 7 SER 7 88 88 SER SER A . n A 1 8 LYS 8 89 89 LYS LYS A . n A 1 9 PRO 9 90 90 PRO PRO A . n A 1 10 GLN 10 91 91 GLN GLN A . n A 1 11 CYS 11 92 92 CYS CYS A . n A 1 12 GLN 12 93 93 GLN GLN A . n A 1 13 ILE 13 94 94 ILE ILE A . n A 1 14 THR 14 95 95 THR THR 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 ALA 17 98 98 ALA ALA 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 SER 20 101 101 SER SER 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 SER 24 105 105 SER SER 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 SER 28 109 109 SER SER A . n A 1 29 ALA 29 110 110 ALA ALA A . n A 1 30 GLY 30 111 111 GLY GLY A . n A 1 31 GLY 31 112 112 GLY GLY A . n A 1 32 ASP 32 113 113 ASP ASP A . n A 1 33 ILE 33 114 114 ILE ILE A . n A 1 34 TRP 34 115 115 TRP TRP 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 PRO 45 126 126 PRO PRO A . n A 1 46 VAL 46 127 127 VAL VAL A . n A 1 47 LYS 47 128 128 LYS LYS A . n A 1 48 CYS 48 129 129 CYS CYS A . n A 1 49 TYR 49 130 130 TYR TYR A . n A 1 50 GLN 50 131 131 GLN GLN 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 GLY 54 135 135 GLY GLY 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 THR 57 138 138 THR THR A . n A 1 58 THR 58 139 139 THR THR A . n A 1 59 LEU 59 140 140 LEU LEU A . n A 1 60 ASP 60 141 141 ASP ASP A . n A 1 61 ASN 61 142 142 ASN ASN 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 ASP 66 147 147 ASP ASP A . n A 1 67 THR 67 148 148 THR THR A . n A 1 68 VAL 68 149 149 VAL VAL A . n A 1 69 HIS 69 150 150 HIS HIS 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 ILE 72 153 153 ILE ILE A . n A 1 73 PRO 73 154 154 PRO PRO A . n A 1 74 HIS 74 155 155 HIS HIS A . n A 1 75 ARG 75 156 156 ARG ARG A . n A 1 76 THR 76 157 157 THR THR A . n A 1 77 LEU 77 158 158 LEU LEU A . n A 1 78 LEU 78 159 159 LEU LEU A . n A 1 79 MET 79 160 160 MET MET A . n A 1 80 ASN 80 161 161 ASN ASN A . n A 1 81 GLU 81 162 162 GLU GLU A . n A 1 82 LEU 82 163 163 LEU LEU A . n A 1 83 GLY 83 164 164 GLY GLY A . n A 1 84 VAL 84 165 165 VAL VAL A . n A 1 85 PRO 85 166 166 PRO PRO A . n A 1 86 PHE 86 167 167 PHE PHE A . n A 1 87 HIS 87 168 168 HIS HIS 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 THR 90 171 171 THR THR A . n A 1 91 ARG 91 172 172 ARG ARG A . n A 1 92 GLN 92 173 173 GLN GLN A . n A 1 93 VAL 93 174 174 VAL VAL A . n A 1 94 CYS 94 175 175 CYS CYS A . n A 1 95 ILE 95 176 176 ILE ILE A . n A 1 96 ALA 96 177 177 ALA ALA A . n A 1 97 TRP 97 178 178 TRP TRP A . n A 1 98 SER 98 179 179 SER SER A . n A 1 99 SER 99 180 180 SER SER A . n A 1 100 SER 100 181 181 SER SER A . n A 1 101 SER 101 182 182 SER SER A . n A 1 102 CYS 102 183 183 CYS CYS A . n A 1 103 HIS 103 184 184 HIS HIS A . n A 1 104 ASP 104 185 185 ASP ASP A . n A 1 105 GLY 105 186 186 GLY GLY A . n A 1 106 LYS 106 187 187 LYS LYS A . n A 1 107 ALA 107 188 188 ALA ALA A . n A 1 108 TRP 108 189 189 TRP TRP A . n A 1 109 LEU 109 190 190 LEU LEU A . n A 1 110 HIS 110 191 191 HIS HIS A . n A 1 111 VAL 111 192 192 VAL VAL A . n A 1 112 CYS 112 193 193 CYS CYS A . n A 1 113 ILE 113 194 194 ILE ILE A . n A 1 114 THR 114 195 195 THR THR A . n A 1 115 GLY 115 196 196 GLY GLY A . n A 1 116 ASP 116 197 197 ASP ASP A . n A 1 117 ASP 117 198 198 ASP ASP A . n A 1 118 LYS 118 199 199 LYS LYS A . n A 1 119 ASN 119 200 200 ASN ASN A . n A 1 120 ALA 120 201 201 ALA ALA A . n A 1 121 THR 121 202 202 THR THR A . n A 1 122 ALA 122 203 203 ALA ALA A . n A 1 123 SER 123 204 204 SER SER A . n A 1 124 PHE 124 205 205 PHE PHE A . n A 1 125 ILE 125 206 206 ILE ILE A . n A 1 126 TYR 126 207 207 TYR TYR A . n A 1 127 ASP 127 208 208 ASP ASP A . n A 1 128 GLY 128 209 209 GLY GLY A . n A 1 129 ARG 129 210 210 ARG ARG A . n A 1 130 LEU 130 211 211 LEU LEU A . n A 1 131 VAL 131 212 212 VAL VAL A . n A 1 132 ASP 132 213 213 ASP ASP A . n A 1 133 SER 133 214 214 SER SER A . n A 1 134 ILE 134 215 215 ILE ILE A . n A 1 135 GLY 135 216 216 GLY GLY A . n A 1 136 SER 136 217 217 SER SER A . n A 1 137 TRP 137 218 218 TRP TRP A . n A 1 138 SER 138 219 219 SER SER A . n A 1 139 GLN 139 220 220 GLN GLN A . n A 1 140 ASN 140 221 221 ASN ASN A . n A 1 141 ILE 141 222 222 ILE ILE A . n A 1 142 LEU 142 223 223 LEU LEU A . n A 1 143 ARG 143 224 224 ARG ARG A . n A 1 144 THR 144 225 225 THR THR A . n A 1 145 GLN 145 226 226 GLN GLN A . n A 1 146 GLU 146 227 227 GLU GLU A . n A 1 147 SER 147 228 228 SER SER A . n A 1 148 GLU 148 229 229 GLU GLU A . n A 1 149 CYS 149 230 230 CYS CYS A . n A 1 150 VAL 150 231 231 VAL VAL A . n A 1 151 CYS 151 232 232 CYS CYS A . n A 1 152 ILE 152 233 233 ILE ILE A . n A 1 153 ASN 153 234 234 ASN ASN A . n A 1 154 GLY 154 235 235 GLY GLY A . n A 1 155 THR 155 236 236 THR THR A . n A 1 156 CYS 156 237 237 CYS CYS A . n A 1 157 THR 157 238 238 THR THR A . n A 1 158 VAL 158 239 239 VAL VAL A . n A 1 159 VAL 159 240 240 VAL VAL A . n A 1 160 MET 160 241 241 MET MET A . n A 1 161 THR 161 242 242 THR THR A . n A 1 162 ASP 162 243 243 ASP ASP A . n A 1 163 GLY 163 244 244 GLY GLY A . n A 1 164 SER 164 245 245 SER SER A . n A 1 165 ALA 165 246 246 ALA ALA A . n A 1 166 SER 166 247 247 SER SER A . n A 1 167 GLY 167 248 248 GLY GLY A . n A 1 168 ARG 168 249 249 ARG ARG A . n A 1 169 ALA 169 250 250 ALA ALA A . n A 1 170 ASP 170 251 251 ASP ASP A . n A 1 171 THR 171 252 252 THR THR A . n A 1 172 ARG 172 253 253 ARG ARG A . n A 1 173 ILE 173 254 254 ILE ILE A . n A 1 174 LEU 174 255 255 LEU LEU A . n A 1 175 PHE 175 256 256 PHE PHE A . n A 1 176 ILE 176 257 257 ILE ILE A . n A 1 177 GLU 177 258 258 GLU GLU A . n A 1 178 GLU 178 259 259 GLU GLU A . n A 1 179 GLY 179 260 260 GLY GLY A . n A 1 180 LYS 180 261 261 LYS LYS A . n A 1 181 ILE 181 262 262 ILE ILE A . n A 1 182 VAL 182 263 263 VAL VAL A . n A 1 183 HIS 183 264 264 HIS HIS A . n A 1 184 ILE 184 265 265 ILE ILE A . n A 1 185 SER 185 266 266 SER SER A . n A 1 186 PRO 186 267 267 PRO PRO A . n A 1 187 LEU 187 268 268 LEU LEU A . n A 1 188 ALA 188 269 269 ALA ALA A . n A 1 189 GLY 189 270 270 GLY GLY A . n A 1 190 SER 190 271 271 SER SER A . n A 1 191 ALA 191 272 272 ALA ALA A . n A 1 192 GLN 192 273 273 GLN GLN A . n A 1 193 HIS 193 274 274 HIS HIS A . n A 1 194 VAL 194 275 275 VAL VAL A . n A 1 195 GLU 195 276 276 GLU GLU A . n A 1 196 GLU 196 277 277 GLU GLU A . n A 1 197 CYS 197 278 278 CYS CYS A . n A 1 198 SER 198 279 279 SER SER A . n A 1 199 CYS 199 280 280 CYS CYS A . n A 1 200 TYR 200 281 281 TYR TYR A . n A 1 201 PRO 201 282 282 PRO PRO A . n A 1 202 ARG 202 283 283 ARG ARG A . n A 1 203 TYR 203 284 284 TYR TYR A . n A 1 204 PRO 204 285 285 PRO PRO A . n A 1 205 GLY 205 286 286 GLY GLY A . n A 1 206 VAL 206 287 287 VAL VAL A . n A 1 207 ARG 207 288 288 ARG ARG A . n A 1 208 CYS 208 289 289 CYS CYS A . n A 1 209 ILE 209 290 290 ILE ILE A . n A 1 210 CYS 210 291 291 CYS CYS A . n A 1 211 ARG 211 292 292 ARG ARG A . n A 1 212 ASP 212 293 293 ASP ASP A . n A 1 213 ASN 213 294 294 ASN ASN A . n A 1 214 TRP 214 295 295 TRP TRP A . n A 1 215 LYS 215 296 296 LYS LYS A . n A 1 216 GLY 216 297 297 GLY GLY A . n A 1 217 SER 217 298 298 SER SER A . n A 1 218 ASN 218 299 299 ASN ASN A . n A 1 219 ARG 219 300 300 ARG ARG A . n A 1 220 PRO 220 301 301 PRO PRO A . n A 1 221 VAL 221 302 302 VAL VAL A . n A 1 222 VAL 222 303 303 VAL VAL A . n A 1 223 ASP 223 304 304 ASP ASP A . n A 1 224 ILE 224 305 305 ILE ILE A . n A 1 225 ASN 225 306 306 ASN ASN A . n A 1 226 MET 226 307 307 MET MET A . n A 1 227 GLU 227 308 308 GLU GLU A . n A 1 228 ASP 228 309 309 ASP ASP A . n A 1 229 TYR 229 310 310 TYR TYR A . n A 1 230 SER 230 311 311 SER SER A . n A 1 231 ILE 231 312 312 ILE ILE A . n A 1 232 ASP 232 313 313 ASP ASP A . n A 1 233 SER 233 314 314 SER SER A . n A 1 234 SER 234 315 315 SER SER 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 GLY 239 320 320 GLY GLY A . n A 1 240 LEU 240 321 321 LEU LEU A . n A 1 241 VAL 241 322 322 VAL VAL A . n A 1 242 GLY 242 323 323 GLY GLY 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 ASN 247 328 328 ASN ASN A . n A 1 248 ASP 248 329 329 ASP ASP A . n A 1 249 ASP 249 330 330 ASP ASP A . n A 1 250 ARG 250 331 331 ARG ARG A . n A 1 251 SER 251 332 332 SER SER A . n A 1 252 SER 252 333 333 SER SER A . n A 1 253 ASN 253 334 334 ASN ASN A . n A 1 254 SER 254 335 335 SER SER A . n A 1 255 ASN 255 336 336 ASN ASN A . n A 1 256 CYS 256 337 337 CYS CYS A . n A 1 257 ARG 257 338 338 ARG ARG A . n A 1 258 ASP 258 339 339 ASP ASP A . n A 1 259 PRO 259 340 340 PRO PRO A . n A 1 260 ASN 260 341 341 ASN ASN A . n A 1 261 ASN 261 342 342 ASN ASN A . n A 1 262 GLU 262 343 343 GLU GLU A . n A 1 263 ARG 263 344 344 ARG ARG A . n A 1 264 GLY 264 345 345 GLY GLY A . n A 1 265 THR 265 346 346 THR THR A . n A 1 266 GLN 266 347 347 GLN GLN A . n A 1 267 GLY 267 348 348 GLY GLY A . n A 1 268 VAL 268 349 349 VAL VAL A . n A 1 269 LYS 269 350 350 LYS LYS A . n A 1 270 GLY 270 351 351 GLY GLY A . n A 1 271 TRP 271 352 352 TRP TRP A . n A 1 272 ALA 272 353 353 ALA ALA A . n A 1 273 PHE 273 354 354 PHE PHE A . n A 1 274 ASP 274 355 355 ASP ASP A . n A 1 275 ASN 275 356 356 ASN ASN A . n A 1 276 GLY 276 357 357 GLY GLY A . n A 1 277 ASN 277 358 358 ASN ASN A . n A 1 278 ASP 278 359 359 ASP ASP A . n A 1 279 LEU 279 360 360 LEU LEU A . n A 1 280 TRP 280 361 361 TRP TRP A . n A 1 281 MET 281 362 362 MET MET A . n A 1 282 GLY 282 363 363 GLY GLY A . n A 1 283 ARG 283 364 364 ARG ARG A . n A 1 284 THR 284 365 365 THR THR A . n A 1 285 ILE 285 366 366 ILE ILE A . n A 1 286 SER 286 367 367 SER SER A . n A 1 287 LYS 287 368 368 LYS LYS A . n A 1 288 ASP 288 369 369 ASP ASP A . n A 1 289 LEU 289 370 370 LEU LEU A . n A 1 290 ARG 290 371 371 ARG ARG A . n A 1 291 SER 291 372 372 SER SER A . n A 1 292 GLY 292 373 373 GLY GLY A . n A 1 293 TYR 293 374 374 TYR TYR A . n A 1 294 GLU 294 375 375 GLU GLU A . n A 1 295 THR 295 376 376 THR THR A . n A 1 296 PHE 296 377 377 PHE PHE A . n A 1 297 LYS 297 378 378 LYS LYS A . n A 1 298 VAL 298 379 379 VAL VAL A . n A 1 299 ILE 299 380 380 ILE ILE A . n A 1 300 GLY 300 381 381 GLY GLY A . n A 1 301 GLY 301 382 382 GLY GLY A . n A 1 302 TRP 302 383 383 TRP TRP A . n A 1 303 SER 303 384 384 SER SER A . n A 1 304 THR 304 385 385 THR THR A . n A 1 305 PRO 305 386 386 PRO PRO A . n A 1 306 ASN 306 387 387 ASN ASN A . n A 1 307 SER 307 388 388 SER SER A . n A 1 308 LYS 308 389 389 LYS LYS A . n A 1 309 SER 309 390 390 SER SER A . n A 1 310 GLN 310 391 391 GLN GLN A . n A 1 311 ILE 311 392 392 ILE ILE A . n A 1 312 ASN 312 393 393 ASN ASN A . n A 1 313 ARG 313 394 394 ARG ARG A . n A 1 314 GLN 314 395 395 GLN GLN A . n A 1 315 VAL 315 396 396 VAL VAL A . n A 1 316 ILE 316 397 397 ILE ILE A . n A 1 317 VAL 317 398 398 VAL VAL A . n A 1 318 ASP 318 399 399 ASP ASP A . n A 1 319 SER 319 400 400 SER SER A . n A 1 320 ASP 320 401 401 ASP ASP A . n A 1 321 ASN 321 402 402 ASN ASN A . n A 1 322 ARG 322 403 403 ARG ARG A . n A 1 323 SER 323 404 404 SER SER A . n A 1 324 GLY 324 405 405 GLY GLY A . n A 1 325 TYR 325 406 406 TYR TYR A . n A 1 326 SER 326 407 407 SER SER A . n A 1 327 GLY 327 408 408 GLY GLY A . n A 1 328 ILE 328 409 409 ILE ILE A . n A 1 329 PHE 329 410 410 PHE PHE A . n A 1 330 SER 330 411 411 SER SER A . n A 1 331 VAL 331 412 412 VAL VAL A . n A 1 332 GLU 332 413 413 GLU GLU A . n A 1 333 GLY 333 414 414 GLY GLY A . n A 1 334 LYS 334 415 415 LYS LYS A . n A 1 335 SER 335 416 416 SER SER A . n A 1 336 CYS 336 417 417 CYS CYS A . n A 1 337 ILE 337 418 418 ILE ILE A . n A 1 338 ASN 338 419 419 ASN ASN A . n A 1 339 ARG 339 420 420 ARG ARG A . n A 1 340 CYS 340 421 421 CYS CYS A . n A 1 341 PHE 341 422 422 PHE PHE A . n A 1 342 TYR 342 423 423 TYR TYR A . n A 1 343 VAL 343 424 424 VAL VAL A . n A 1 344 GLU 344 425 425 GLU GLU A . n A 1 345 LEU 345 426 426 LEU LEU A . n A 1 346 ILE 346 427 427 ILE ILE A . n A 1 347 ARG 347 428 428 ARG ARG A . n A 1 348 GLY 348 429 429 GLY GLY A . n A 1 349 ARG 349 430 430 ARG ARG A . n A 1 350 LYS 350 431 431 LYS LYS A . n A 1 351 GLN 351 432 432 GLN GLN A . n A 1 352 GLU 352 433 433 GLU GLU A . n A 1 353 THR 353 434 434 THR THR A . n A 1 354 ARG 354 435 435 ARG ARG A . n A 1 355 VAL 355 436 436 VAL VAL A . n A 1 356 TRP 356 437 437 TRP TRP 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 VAL 364 445 445 VAL VAL 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 THR 368 449 449 THR THR A . n A 1 369 SER 369 450 450 SER SER A . n A 1 370 GLY 370 451 451 GLY GLY A . n A 1 371 THR 371 452 452 THR THR A . n A 1 372 TYR 372 453 453 TYR TYR A . n A 1 373 GLY 373 454 454 GLY GLY A . n A 1 374 THR 374 455 455 THR THR A . n A 1 375 GLY 375 456 456 GLY GLY A . n A 1 376 SER 376 457 457 SER SER 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 ALA 381 462 462 ALA ALA 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 ASN 384 465 465 ASN ASN 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 ILE 388 469 469 ILE ILE 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 1 470 86 NAG NAG A A C 2 NAG 2 471 86 NAG NAG A B D 2 NAG 1 472 146 NAG NAG A A E 2 NAG 2 473 146 NAG NAG A B F 3 BMA 3 474 146 BMA MAN A C G 4 MAN 4 475 146 MAN MAN A D H 2 NAG 5 476 146 NAG NAG A E I 5 NGK 6 477 146 NGK NGL A F J 6 FUL 7 478 146 FUL FUC A I K 2 NAG 1 479 200 NAG NAG A A L 2 NAG 2 480 200 NAG NAG A B M 3 BMA 3 481 200 BMA MAN A C N 4 MAN 4 482 200 MAN MAN A D O 4 MAN 5 483 200 MAN MAN A E P 4 MAN 6 484 200 MAN MAN A F Q 2 NAG 1 485 234 NAG NAG A A R 2 NAG 1 486 234 NAG NAG A B S 7 CA 1 1 1 CA CA A . T 8 HOH 1 487 1 HOH HOH A . T 8 HOH 2 488 2 HOH HOH A . T 8 HOH 3 489 3 HOH HOH A . T 8 HOH 4 490 4 HOH HOH A . T 8 HOH 5 491 5 HOH HOH A . T 8 HOH 6 492 6 HOH HOH A . T 8 HOH 7 493 7 HOH HOH A . T 8 HOH 8 494 8 HOH HOH A . T 8 HOH 9 495 9 HOH HOH A . T 8 HOH 10 496 10 HOH HOH A . T 8 HOH 11 497 11 HOH HOH A . T 8 HOH 12 498 12 HOH HOH A . T 8 HOH 13 499 13 HOH HOH A . T 8 HOH 14 500 14 HOH HOH A . T 8 HOH 15 501 15 HOH HOH A . T 8 HOH 16 502 16 HOH HOH A . T 8 HOH 17 503 17 HOH HOH A . T 8 HOH 18 504 18 HOH HOH A . T 8 HOH 19 505 19 HOH HOH A . T 8 HOH 20 506 20 HOH HOH A . T 8 HOH 21 507 21 HOH HOH A . T 8 HOH 22 508 22 HOH HOH A . T 8 HOH 23 509 23 HOH HOH A . T 8 HOH 24 510 24 HOH HOH A . T 8 HOH 25 511 25 HOH HOH A . T 8 HOH 26 512 26 HOH HOH A . T 8 HOH 27 513 27 HOH HOH A . T 8 HOH 28 514 28 HOH HOH A . T 8 HOH 29 515 29 HOH HOH A . T 8 HOH 30 516 30 HOH HOH A . T 8 HOH 31 517 31 HOH HOH A . T 8 HOH 32 518 32 HOH HOH A . T 8 HOH 33 519 33 HOH HOH A . T 8 HOH 34 520 34 HOH HOH A . T 8 HOH 35 521 35 HOH HOH A . T 8 HOH 36 522 36 HOH HOH A . T 8 HOH 37 523 37 HOH HOH A . T 8 HOH 38 524 38 HOH HOH A . T 8 HOH 39 525 39 HOH HOH A . T 8 HOH 40 526 40 HOH HOH A . T 8 HOH 41 527 41 HOH HOH A . T 8 HOH 42 528 42 HOH HOH A . T 8 HOH 43 529 43 HOH HOH A . T 8 HOH 44 530 44 HOH HOH A . T 8 HOH 45 531 45 HOH HOH A . T 8 HOH 46 532 46 HOH HOH A . T 8 HOH 47 533 47 HOH HOH A . T 8 HOH 48 534 48 HOH HOH A . T 8 HOH 49 535 49 HOH HOH A . T 8 HOH 50 536 50 HOH HOH A . T 8 HOH 51 537 51 HOH HOH A . T 8 HOH 52 538 52 HOH HOH A . T 8 HOH 53 539 53 HOH HOH A . T 8 HOH 54 540 54 HOH HOH A . T 8 HOH 55 541 55 HOH HOH A . T 8 HOH 56 542 56 HOH HOH A . T 8 HOH 57 543 57 HOH HOH A . T 8 HOH 58 544 58 HOH HOH A . T 8 HOH 59 545 59 HOH HOH A . T 8 HOH 60 546 60 HOH HOH A . T 8 HOH 61 547 61 HOH HOH A . T 8 HOH 62 548 62 HOH HOH A . T 8 HOH 63 549 63 HOH HOH A . T 8 HOH 64 550 64 HOH HOH A . T 8 HOH 65 551 65 HOH HOH A . T 8 HOH 66 552 66 HOH HOH A . T 8 HOH 67 553 67 HOH HOH A . T 8 HOH 68 554 68 HOH HOH A . T 8 HOH 69 555 69 HOH HOH A . T 8 HOH 70 556 70 HOH HOH A . T 8 HOH 71 557 71 HOH HOH A . T 8 HOH 72 558 72 HOH HOH A . T 8 HOH 73 559 73 HOH HOH A . T 8 HOH 74 560 74 HOH HOH A . T 8 HOH 75 561 75 HOH HOH A . T 8 HOH 76 562 76 HOH HOH A . T 8 HOH 77 563 77 HOH HOH A . T 8 HOH 78 564 78 HOH HOH A . T 8 HOH 79 565 79 HOH HOH A . T 8 HOH 80 566 80 HOH HOH A . T 8 HOH 81 567 81 HOH HOH A . T 8 HOH 82 568 82 HOH HOH A . T 8 HOH 83 569 83 HOH HOH A . T 8 HOH 84 570 84 HOH HOH A . T 8 HOH 85 571 85 HOH HOH A . T 8 HOH 86 572 86 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 5 A ASN 86 ? ASN 'GLYCOSYLATION SITE' 2 A ASN 65 A ASN 146 ? ASN 'GLYCOSYLATION SITE' 3 A ASN 119 A ASN 200 ? ASN 'GLYCOSYLATION SITE' # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_defined_assembly _pdbx_struct_assembly.method_details ? _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,L,M,N,O,P,Q,R,S,T # 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' 4_565 y,-x+1,z 0.0000000000 1.0000000000 0.0000000000 0.0000000000 -1.0000000000 0.0000000000 0.0000000000 139.6000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 3 'crystal symmetry operation' 3_655 -y+1,x,z 0.0000000000 -1.0000000000 0.0000000000 139.6000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 4 'crystal symmetry operation' 2_665 -x+1,-y+1,z -1.0000000000 0.0000000000 0.0000000000 139.6000000000 0.0000000000 -1.0000000000 0.0000000000 139.6000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 # 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 212 ? A ASP 293 ? 1_555 CA ? S CA . ? A CA 1 ? 1_555 O ? A GLY 216 ? A GLY 297 ? 1_555 86.3 ? 2 O ? A ASP 212 ? A ASP 293 ? 1_555 CA ? S CA . ? A CA 1 ? 1_555 O ? A GLN 266 ? A GLN 347 ? 1_555 89.9 ? 3 O ? A GLY 216 ? A GLY 297 ? 1_555 CA ? S CA . ? A CA 1 ? 1_555 O ? A GLN 266 ? A GLN 347 ? 1_555 170.5 ? 4 O ? A ASP 212 ? A ASP 293 ? 1_555 CA ? S CA . ? A CA 1 ? 1_555 O ? A GLY 264 ? A GLY 345 ? 1_555 109.0 ? 5 O ? A GLY 216 ? A GLY 297 ? 1_555 CA ? S CA . ? A CA 1 ? 1_555 O ? A GLY 264 ? A GLY 345 ? 1_555 91.8 ? 6 O ? A GLN 266 ? A GLN 347 ? 1_555 CA ? S CA . ? A CA 1 ? 1_555 O ? A GLY 264 ? A GLY 345 ? 1_555 97.7 ? 7 O ? A ASP 212 ? A ASP 293 ? 1_555 CA ? S CA . ? A CA 1 ? 1_555 OD2 ? A ASP 243 ? A ASP 324 ? 1_555 67.0 ? 8 O ? A GLY 216 ? A GLY 297 ? 1_555 CA ? S CA . ? A CA 1 ? 1_555 OD2 ? A ASP 243 ? A ASP 324 ? 1_555 69.3 ? 9 O ? A GLN 266 ? A GLN 347 ? 1_555 CA ? S CA . ? A CA 1 ? 1_555 OD2 ? A ASP 243 ? A ASP 324 ? 1_555 101.3 ? 10 O ? A GLY 264 ? A GLY 345 ? 1_555 CA ? S CA . ? A CA 1 ? 1_555 OD2 ? A ASP 243 ? A ASP 324 ? 1_555 160.6 ? # 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 1992-07-15 2 'Structure model' 1 1 2008-03-03 3 'Structure model' 1 2 2011-07-13 # _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 ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' 'Version format compliance' 2 3 'Structure model' 'Non-polymer description' 3 3 'Structure model' 'Version format compliance' # _software.name X-PLOR _software.classification refinement _software.version . _software.citation_id ? _software.pdbx_ordinal 1 # loop_ _pdbx_validate_close_contact.id _pdbx_validate_close_contact.PDB_model_num _pdbx_validate_close_contact.auth_atom_id_1 _pdbx_validate_close_contact.auth_asym_id_1 _pdbx_validate_close_contact.auth_comp_id_1 _pdbx_validate_close_contact.auth_seq_id_1 _pdbx_validate_close_contact.PDB_ins_code_1 _pdbx_validate_close_contact.label_alt_id_1 _pdbx_validate_close_contact.auth_atom_id_2 _pdbx_validate_close_contact.auth_asym_id_2 _pdbx_validate_close_contact.auth_comp_id_2 _pdbx_validate_close_contact.auth_seq_id_2 _pdbx_validate_close_contact.PDB_ins_code_2 _pdbx_validate_close_contact.label_alt_id_2 _pdbx_validate_close_contact.dist 1 1 O4 A NAG 476 E ? H1 A NGK 477 F ? 1.50 2 1 O6 A NAG 472 A ? H1 A FUL 478 I ? 1.52 3 1 O6 A NAG 472 A ? C2 A FUL 478 I ? 2.12 # _pdbx_validate_symm_contact.id 1 _pdbx_validate_symm_contact.PDB_model_num 1 _pdbx_validate_symm_contact.auth_atom_id_1 H1 _pdbx_validate_symm_contact.auth_asym_id_1 A _pdbx_validate_symm_contact.auth_comp_id_1 HOH _pdbx_validate_symm_contact.auth_seq_id_1 490 _pdbx_validate_symm_contact.PDB_ins_code_1 ? _pdbx_validate_symm_contact.label_alt_id_1 ? _pdbx_validate_symm_contact.site_symmetry_1 1_555 _pdbx_validate_symm_contact.auth_atom_id_2 H1 _pdbx_validate_symm_contact.auth_asym_id_2 A _pdbx_validate_symm_contact.auth_comp_id_2 HOH _pdbx_validate_symm_contact.auth_seq_id_2 490 _pdbx_validate_symm_contact.PDB_ins_code_2 ? _pdbx_validate_symm_contact.label_alt_id_2 ? _pdbx_validate_symm_contact.site_symmetry_2 16_665 _pdbx_validate_symm_contact.dist 0.83 # 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 NE2 A HIS 144 ? ? CD2 A HIS 144 ? ? 1.304 1.373 -0.069 0.011 N 2 1 NE2 A HIS 155 ? ? CD2 A HIS 155 ? ? 1.304 1.373 -0.069 0.011 N 3 1 NE2 A HIS 184 ? ? CD2 A HIS 184 ? ? 1.301 1.373 -0.072 0.011 N 4 1 NE2 A HIS 191 ? ? CD2 A HIS 191 ? ? 1.303 1.373 -0.070 0.011 N 5 1 NE2 A HIS 274 ? ? CD2 A HIS 274 ? ? 1.299 1.373 -0.074 0.011 N # loop_ _pdbx_validate_rmsd_angle.id _pdbx_validate_rmsd_angle.PDB_model_num _pdbx_validate_rmsd_angle.auth_atom_id_1 _pdbx_validate_rmsd_angle.auth_asym_id_1 _pdbx_validate_rmsd_angle.auth_comp_id_1 _pdbx_validate_rmsd_angle.auth_seq_id_1 _pdbx_validate_rmsd_angle.PDB_ins_code_1 _pdbx_validate_rmsd_angle.label_alt_id_1 _pdbx_validate_rmsd_angle.auth_atom_id_2 _pdbx_validate_rmsd_angle.auth_asym_id_2 _pdbx_validate_rmsd_angle.auth_comp_id_2 _pdbx_validate_rmsd_angle.auth_seq_id_2 _pdbx_validate_rmsd_angle.PDB_ins_code_2 _pdbx_validate_rmsd_angle.label_alt_id_2 _pdbx_validate_rmsd_angle.auth_atom_id_3 _pdbx_validate_rmsd_angle.auth_asym_id_3 _pdbx_validate_rmsd_angle.auth_comp_id_3 _pdbx_validate_rmsd_angle.auth_seq_id_3 _pdbx_validate_rmsd_angle.PDB_ins_code_3 _pdbx_validate_rmsd_angle.label_alt_id_3 _pdbx_validate_rmsd_angle.angle_value _pdbx_validate_rmsd_angle.angle_target_value _pdbx_validate_rmsd_angle.angle_deviation _pdbx_validate_rmsd_angle.angle_standard_deviation _pdbx_validate_rmsd_angle.linker_flag 1 1 CD1 A TRP 87 ? ? CG A TRP 87 ? ? CD2 A TRP 87 ? ? 112.37 106.30 6.07 0.80 N 2 1 CE2 A TRP 87 ? ? CD2 A TRP 87 ? ? CG A TRP 87 ? ? 101.50 107.30 -5.80 0.80 N 3 1 NE A ARG 107 ? ? CZ A ARG 107 ? ? NH1 A ARG 107 ? ? 124.31 120.30 4.01 0.50 N 4 1 NE A ARG 107 ? ? CZ A ARG 107 ? ? NH2 A ARG 107 ? ? 117.28 120.30 -3.02 0.50 N 5 1 CD1 A TRP 115 ? ? CG A TRP 115 ? ? CD2 A TRP 115 ? ? 112.39 106.30 6.09 0.80 N 6 1 CE2 A TRP 115 ? ? CD2 A TRP 115 ? ? CG A TRP 115 ? ? 101.95 107.30 -5.35 0.80 N 7 1 CB A CYS 124 ? ? CA A CYS 124 ? ? C A CYS 124 ? ? 125.06 111.50 13.56 1.20 N 8 1 N A CYS 124 ? ? CA A CYS 124 ? ? CB A CYS 124 ? ? 88.71 110.60 -21.89 1.80 N 9 1 CA A CYS 124 ? ? CB A CYS 124 ? ? SG A CYS 124 ? ? 121.40 114.20 7.20 1.10 N 10 1 CA A CYS 129 ? ? CB A CYS 129 ? ? SG A CYS 129 ? ? 122.14 114.20 7.94 1.10 N 11 1 NE A ARG 152 ? ? CZ A ARG 152 ? ? NH1 A ARG 152 ? ? 124.09 120.30 3.79 0.50 N 12 1 CG A MET 160 ? ? SD A MET 160 ? ? CE A MET 160 ? ? 115.23 100.20 15.03 1.60 N 13 1 CG A ARG 172 ? ? CD A ARG 172 ? ? NE A ARG 172 ? ? 97.42 111.80 -14.38 2.10 N 14 1 NE A ARG 172 ? ? CZ A ARG 172 ? ? NH2 A ARG 172 ? ? 116.04 120.30 -4.26 0.50 N 15 1 CD1 A TRP 178 ? ? CG A TRP 178 ? ? CD2 A TRP 178 ? ? 112.75 106.30 6.45 0.80 N 16 1 CB A TRP 178 ? ? CG A TRP 178 ? ? CD1 A TRP 178 ? ? 117.27 127.00 -9.73 1.30 N 17 1 CE2 A TRP 178 ? ? CD2 A TRP 178 ? ? CG A TRP 178 ? ? 100.90 107.30 -6.40 0.80 N 18 1 CG A TRP 178 ? ? CD2 A TRP 178 ? ? CE3 A TRP 178 ? ? 140.51 133.90 6.61 0.90 N 19 1 CA A CYS 183 ? ? CB A CYS 183 ? ? SG A CYS 183 ? ? 124.01 114.20 9.81 1.10 N 20 1 CD1 A TRP 189 ? ? CG A TRP 189 ? ? CD2 A TRP 189 ? ? 113.03 106.30 6.73 0.80 N 21 1 CE2 A TRP 189 ? ? CD2 A TRP 189 ? ? CG A TRP 189 ? ? 101.28 107.30 -6.02 0.80 N 22 1 NE A ARG 210 ? ? CZ A ARG 210 ? ? NH1 A ARG 210 ? ? 123.76 120.30 3.46 0.50 N 23 1 CD1 A TRP 218 ? ? CG A TRP 218 ? ? CD2 A TRP 218 ? ? 111.84 106.30 5.54 0.80 N 24 1 CE2 A TRP 218 ? ? CD2 A TRP 218 ? ? CG A TRP 218 ? ? 101.81 107.30 -5.49 0.80 N 25 1 NE A ARG 224 ? ? CZ A ARG 224 ? ? NH1 A ARG 224 ? ? 125.51 120.30 5.21 0.50 N 26 1 NE A ARG 224 ? ? CZ A ARG 224 ? ? NH2 A ARG 224 ? ? 115.14 120.30 -5.16 0.50 N 27 1 CA A GLN 226 ? ? CB A GLN 226 ? ? CG A GLN 226 ? ? 127.86 113.40 14.46 2.20 N 28 1 CA A CYS 230 ? ? CB A CYS 230 ? ? SG A CYS 230 ? ? 121.17 114.20 6.97 1.10 N 29 1 CG A MET 241 ? ? SD A MET 241 ? ? CE A MET 241 ? ? 85.26 100.20 -14.94 1.60 N 30 1 NE A ARG 253 ? ? CZ A ARG 253 ? ? NH1 A ARG 253 ? ? 125.12 120.30 4.82 0.50 N 31 1 NE A ARG 253 ? ? CZ A ARG 253 ? ? NH2 A ARG 253 ? ? 117.10 120.30 -3.20 0.50 N 32 1 NE A ARG 292 ? ? CZ A ARG 292 ? ? NH1 A ARG 292 ? ? 123.88 120.30 3.58 0.50 N 33 1 CA A ASP 293 ? ? C A ASP 293 ? ? N A ASN 294 ? ? 99.96 117.20 -17.24 2.20 Y 34 1 CD1 A TRP 295 ? ? CG A TRP 295 ? ? CD2 A TRP 295 ? ? 111.92 106.30 5.62 0.80 N 35 1 CE2 A TRP 295 ? ? CD2 A TRP 295 ? ? CG A TRP 295 ? ? 102.38 107.30 -4.92 0.80 N 36 1 CA A GLY 297 ? ? C A GLY 297 ? ? N A SER 298 ? ? 96.83 117.20 -20.37 2.20 Y 37 1 O A GLY 297 ? ? C A GLY 297 ? ? N A SER 298 ? ? 133.80 122.70 11.10 1.60 Y 38 1 NE A ARG 300 ? ? CZ A ARG 300 ? ? NH1 A ARG 300 ? ? 125.87 120.30 5.57 0.50 N 39 1 NE A ARG 300 ? ? CZ A ARG 300 ? ? NH2 A ARG 300 ? ? 115.57 120.30 -4.73 0.50 N 40 1 NE A ARG 327 ? ? CZ A ARG 327 ? ? NH1 A ARG 327 ? ? 124.59 120.30 4.29 0.50 N 41 1 CA A GLN 347 ? ? C A GLN 347 ? ? N A GLY 348 ? ? 103.85 116.20 -12.35 2.00 Y 42 1 CD1 A TRP 352 ? ? CG A TRP 352 ? ? CD2 A TRP 352 ? ? 111.41 106.30 5.11 0.80 N 43 1 CE2 A TRP 352 ? ? CD2 A TRP 352 ? ? CG A TRP 352 ? ? 102.27 107.30 -5.03 0.80 N 44 1 CD1 A TRP 361 ? ? CG A TRP 361 ? ? CD2 A TRP 361 ? ? 114.66 106.30 8.36 0.80 N 45 1 CG A TRP 361 ? ? CD1 A TRP 361 ? ? NE1 A TRP 361 ? ? 103.01 110.10 -7.09 1.00 N 46 1 CE2 A TRP 361 ? ? CD2 A TRP 361 ? ? CG A TRP 361 ? ? 101.02 107.30 -6.28 0.80 N 47 1 NE A ARG 364 ? ? CZ A ARG 364 ? ? NH1 A ARG 364 ? ? 124.27 120.30 3.97 0.50 N 48 1 NE A ARG 371 ? ? CZ A ARG 371 ? ? NH1 A ARG 371 ? ? 124.29 120.30 3.99 0.50 N 49 1 NE A ARG 371 ? ? CZ A ARG 371 ? ? NH2 A ARG 371 ? ? 116.40 120.30 -3.90 0.50 N 50 1 CD1 A TRP 383 ? ? CG A TRP 383 ? ? CD2 A TRP 383 ? ? 113.66 106.30 7.36 0.80 N 51 1 CE2 A TRP 383 ? ? CD2 A TRP 383 ? ? CG A TRP 383 ? ? 101.20 107.30 -6.10 0.80 N 52 1 CG A TRP 383 ? ? CD2 A TRP 383 ? ? CE3 A TRP 383 ? ? 139.33 133.90 5.43 0.90 N 53 1 CG A ARG 394 ? ? CD A ARG 394 ? ? NE A ARG 394 ? ? 98.80 111.80 -13.00 2.10 N 54 1 NE A ARG 403 ? ? CZ A ARG 403 ? ? NH1 A ARG 403 ? ? 124.38 120.30 4.08 0.50 N 55 1 CB A TYR 406 ? ? CG A TYR 406 ? ? CD2 A TYR 406 ? ? 117.28 121.00 -3.72 0.60 N 56 1 NE A ARG 420 ? ? CZ A ARG 420 ? ? NH1 A ARG 420 ? ? 124.12 120.30 3.82 0.50 N 57 1 NE A ARG 420 ? ? CZ A ARG 420 ? ? NH2 A ARG 420 ? ? 117.24 120.30 -3.06 0.50 N 58 1 CA A CYS 421 ? ? CB A CYS 421 ? ? SG A CYS 421 ? ? 121.85 114.20 7.65 1.10 N 59 1 NE A ARG 428 ? ? CZ A ARG 428 ? ? NH1 A ARG 428 ? ? 126.56 120.30 6.26 0.50 N 60 1 NE A ARG 428 ? ? CZ A ARG 428 ? ? NH2 A ARG 428 ? ? 115.77 120.30 -4.53 0.50 N 61 1 N A THR 434 ? ? CA A THR 434 ? ? CB A THR 434 ? ? 96.58 110.30 -13.72 1.90 N 62 1 CD1 A TRP 437 ? ? CG A TRP 437 ? ? CD2 A TRP 437 ? ? 113.29 106.30 6.99 0.80 N 63 1 CE2 A TRP 437 ? ? CD2 A TRP 437 ? ? CG A TRP 437 ? ? 101.39 107.30 -5.91 0.80 N 64 1 CD1 A TRP 438 ? ? CG A TRP 438 ? ? CD2 A TRP 438 ? ? 112.01 106.30 5.71 0.80 N 65 1 CE2 A TRP 438 ? ? CD2 A TRP 438 ? ? CG A TRP 438 ? ? 101.52 107.30 -5.78 0.80 N 66 1 N A THR 455 ? ? CA A THR 455 ? ? CB A THR 455 ? ? 95.29 110.30 -15.01 1.90 N 67 1 CD1 A TRP 458 ? ? CG A TRP 458 ? ? CD2 A TRP 458 ? ? 111.55 106.30 5.25 0.80 N 68 1 CE2 A TRP 458 ? ? CD2 A TRP 458 ? ? CG A TRP 458 ? ? 101.61 107.30 -5.69 0.80 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 TRP A 87 ? ? 37.49 35.53 2 1 PHE A 100 ? ? -131.52 -40.91 3 1 PRO A 126 ? ? -65.64 1.34 4 1 ASP A 147 ? ? 70.49 40.48 5 1 CYS A 175 ? ? 179.58 168.95 6 1 ASN A 200 ? ? -151.78 48.96 7 1 ASN A 221 ? ? -160.56 89.56 8 1 ILE A 222 ? ? 43.75 85.71 9 1 GLN A 226 ? ? -27.97 -56.69 10 1 HIS A 274 ? ? -160.11 114.17 11 1 GLU A 277 ? ? 39.33 60.64 12 1 TYR A 284 ? ? -30.94 130.68 13 1 CYS A 291 ? ? -117.35 -164.44 14 1 TRP A 295 ? ? -99.68 -75.12 15 1 SER A 319 ? ? -32.54 133.35 16 1 VAL A 322 ? ? 59.68 118.46 17 1 ASP A 329 ? ? 141.51 157.39 18 1 SER A 332 ? ? -92.19 34.13 19 1 CYS A 337 ? ? 69.69 -5.25 20 1 ASN A 342 ? ? 59.88 14.31 21 1 GLN A 347 ? ? 81.93 178.26 22 1 ASN A 387 ? ? 58.85 12.21 23 1 SER A 404 ? ? -126.01 -145.40 # loop_ _pdbx_unobs_or_zero_occ_atoms.id _pdbx_unobs_or_zero_occ_atoms.PDB_model_num _pdbx_unobs_or_zero_occ_atoms.polymer_flag _pdbx_unobs_or_zero_occ_atoms.occupancy_flag _pdbx_unobs_or_zero_occ_atoms.auth_asym_id _pdbx_unobs_or_zero_occ_atoms.auth_comp_id _pdbx_unobs_or_zero_occ_atoms.auth_seq_id _pdbx_unobs_or_zero_occ_atoms.PDB_ins_code _pdbx_unobs_or_zero_occ_atoms.auth_atom_id _pdbx_unobs_or_zero_occ_atoms.label_alt_id _pdbx_unobs_or_zero_occ_atoms.label_asym_id _pdbx_unobs_or_zero_occ_atoms.label_comp_id _pdbx_unobs_or_zero_occ_atoms.label_seq_id _pdbx_unobs_or_zero_occ_atoms.label_atom_id 1 1 N 1 A NAG 485 A O1 ? E NAG 1 O1 2 1 N 1 A NAG 486 B O1 ? F NAG 1 O1 # loop_ _pdbx_unobs_or_zero_occ_residues.id _pdbx_unobs_or_zero_occ_residues.PDB_model_num _pdbx_unobs_or_zero_occ_residues.polymer_flag _pdbx_unobs_or_zero_occ_residues.occupancy_flag _pdbx_unobs_or_zero_occ_residues.auth_asym_id _pdbx_unobs_or_zero_occ_residues.auth_comp_id _pdbx_unobs_or_zero_occ_residues.auth_seq_id _pdbx_unobs_or_zero_occ_residues.PDB_ins_code _pdbx_unobs_or_zero_occ_residues.label_asym_id _pdbx_unobs_or_zero_occ_residues.label_comp_id _pdbx_unobs_or_zero_occ_residues.label_seq_id 1 1 N 0 A NAG 471 B C NAG ? 2 1 N 0 A BMA 474 C F BMA ? 3 1 N 0 A MAN 475 D G MAN ? 4 1 N 0 A NAG 476 E H NAG ? 5 1 N 0 A NAG 486 B R NAG ? # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 N-ACETYL-D-GLUCOSAMINE NAG 3 BETA-D-MANNOSE BMA 4 ALPHA-D-MANNOSE MAN 5 '2-(ACETYLAMINO)-2-DEOXY-4-O-SULFO-ALPHA-D-GALACTOPYRANOSE' NGK 6 BETA-L-FUCOSE FUL 7 'CALCIUM ION' CA 8 water HOH #