data_4K1I # _entry.id 4K1I # _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 4K1I RCSB RCSB078772 WWPDB D_1000078772 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.details _pdbx_database_related.content_type PDB 4K1H . unspecified PDB 4K1J . unspecified PDB 4K1K . unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 4K1I _pdbx_database_status.recvd_initial_deposition_date 2013-04-05 _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site PDBJ _pdbx_database_status.methods_development_category ? _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.SG_entry ? _pdbx_database_status.status_code_cs ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Wu, Y.' 1 'Gao, F.' 2 'Qi, J.X.' 3 'Gao, G.F.' 4 # _citation.id primary _citation.title 'Induced opening of influenza virus neuraminidase N2 150-loop suggests an important role in inhibitor binding' _citation.journal_abbrev 'Sci Rep' _citation.journal_volume 3 _citation.page_first 1551 _citation.page_last 1551 _citation.year 2013 _citation.journal_id_ASTM ? _citation.country UK _citation.journal_id_ISSN 2045-2322 _citation.journal_id_CSD ? _citation.book_publisher ? _citation.pdbx_database_id_PubMed 23531861 _citation.pdbx_database_id_DOI 10.1038/srep01551 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Wu, Y.' 1 primary 'Qin, G.' 2 primary 'Gao, F.' 3 primary 'Liu, Y.' 4 primary 'Vavricka, C.J.' 5 primary 'Qi, J.' 6 primary 'Jiang, H.' 7 primary 'Yu, K.' 8 primary 'Gao, G.F.' 9 # _cell.entry_id 4K1I _cell.length_a 115.429 _cell.length_b 139.113 _cell.length_c 139.995 _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 4K1I _symmetry.space_group_name_H-M 'C 2 2 21' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 20 _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 43054.773 2 ? ? 'UNP residues 82-469' ? 2 non-polymer syn 'CALCIUM ION' 40.078 2 ? ? ? ? 3 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 6 ? ? ? ? 4 non-polymer man BETA-D-MANNOSE 180.156 2 ? ? ? ? 5 non-polymer man ALPHA-D-MANNOSE 180.156 2 ? ? ? ? 6 non-polymer syn '(3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid' 284.351 2 ? ? ? ? 7 water nat water 18.015 933 ? ? ? ? # _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 ;VEYRNWSKPQCQITGFAPFSKDNSIRLSAGGDIWVTREPYVSCDPGKCYQFALGQGTTLDNKHSNDTVHDRIPHRTLLMN ELGVPFHLGTRQVCIAWSSSSCHDGKAWLHVCITGDDKNATASFIYDGRLVDSIGSWSQNILRTQESECVCINGTCTVVM TDGSASGRADTRILFIEEGKIVHISPLSGSAQHIEECSCYPRYPGVRCICRDNWKGSNRPVVDINMEDYSIDSSYVCSGL VGDTPRNDDSSSNSNCRNPNNERGTQGVKGWAFDNGNDLWMGRTISKESRSGYETFKVIGGWSTPNSKSQVNRQVIVDNN NWSGYSGIFSVEGKSCINRCFYVELIRGRPQETRVWWTSNSIVVFCGTSGTYGTGSWPDGANINFMPI ; _entity_poly.pdbx_seq_one_letter_code_can ;VEYRNWSKPQCQITGFAPFSKDNSIRLSAGGDIWVTREPYVSCDPGKCYQFALGQGTTLDNKHSNDTVHDRIPHRTLLMN ELGVPFHLGTRQVCIAWSSSSCHDGKAWLHVCITGDDKNATASFIYDGRLVDSIGSWSQNILRTQESECVCINGTCTVVM TDGSASGRADTRILFIEEGKIVHISPLSGSAQHIEECSCYPRYPGVRCICRDNWKGSNRPVVDINMEDYSIDSSYVCSGL VGDTPRNDDSSSNSNCRNPNNERGTQGVKGWAFDNGNDLWMGRTISKESRSGYETFKVIGGWSTPNSKSQVNRQVIVDNN NWSGYSGIFSVEGKSCINRCFYVELIRGRPQETRVWWTSNSIVVFCGTSGTYGTGSWPDGANINFMPI ; _entity_poly.pdbx_strand_id A,B _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 GLY 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 SER n 1 189 GLY n 1 190 SER n 1 191 ALA n 1 192 GLN n 1 193 HIS n 1 194 ILE 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 SER 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 ASN 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 GLU n 1 289 SER 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 VAL 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 ASN n 1 320 ASN n 1 321 ASN n 1 322 TRP 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 PRO 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/RI/5+/1957(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' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 382827 _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 'Spodoptera frugiperda' _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 7108 _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 baculovirus _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 Q194T1_9INFA _struct_ref.pdbx_db_accession Q194T1 _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ;VEYRNWSKPQCQITGFAPFSKDNSIRLSAGGDIWVTREPYVSCDPGKCYQFALGQGTTLDNKHSNDTVHDRIPHRTLLMN ELGVPFHLGTRQVCIAWSSSSCHDGKAWLHVCITGDDKNATASFIYDGRLVDSIGSWSQNILRTQESECVCINGTCTVVM TDGSASGRADTRILFIEEGKIVHISPLSGSAQHIEECSCYPRYPGVRCICRDNWKGSNRPVVDINMEDYSIDSSYVCSGL VGDTPRNDDSSSNSNCRNPNNERGTQGVKGWAFDNGNDLWMGRTISKESRSGYETFKVIGGWSTPNSKSQVNRQVIVDNN NWSGYSGIFSVEGKSCINRCFYVELIRGRPQETRVWWTSNSIVVFCGTSGTYGTGSWPDGANINFMPI ; _struct_ref.pdbx_align_begin 82 _struct_ref.pdbx_db_isoform ? # loop_ _struct_ref_seq.align_id _struct_ref_seq.ref_id _struct_ref_seq.pdbx_PDB_id_code _struct_ref_seq.pdbx_strand_id _struct_ref_seq.seq_align_beg _struct_ref_seq.pdbx_seq_align_beg_ins_code _struct_ref_seq.seq_align_end _struct_ref_seq.pdbx_seq_align_end_ins_code _struct_ref_seq.pdbx_db_accession _struct_ref_seq.db_align_beg _struct_ref_seq.pdbx_db_align_beg_ins_code _struct_ref_seq.db_align_end _struct_ref_seq.pdbx_db_align_end_ins_code _struct_ref_seq.pdbx_auth_seq_align_beg _struct_ref_seq.pdbx_auth_seq_align_end 1 1 4K1I A 1 ? 388 ? Q194T1 82 ? 469 ? 82 469 2 1 4K1I B 1 ? 388 ? Q194T1 82 ? 469 ? 82 469 # 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 G39 non-polymer . '(3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid' 'Oseltamivir carboxylate' 'C14 H24 N2 O4' 284.351 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 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 4K1I _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 2 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 3.26 _exptl_crystal.density_percent_sol 62.31 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' _exptl_crystal_grow.temp 291 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 9 _exptl_crystal_grow.pdbx_pH_range ? _exptl_crystal_grow.pdbx_details '0.1M BIS-TRIS propane pH 9.0, 10% v/v Jeffamine ED-2001 pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K' # _diffrn.id 1 _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector CCD _diffrn_detector.type 'ADSC QUANTUM 315' _diffrn_detector.pdbx_collection_date 2012-08-04 _diffrn_detector.details ? # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator ? _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.97885 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'SSRF BEAMLINE BL17U' _diffrn_source.pdbx_synchrotron_site SSRF _diffrn_source.pdbx_synchrotron_beamline BL17U _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_wavelength_list 0.97885 # _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.entry_id 4K1I _reflns.observed_criterion_sigma_I 3.0 _reflns.observed_criterion_sigma_F 3.0 _reflns.d_resolution_low 50.00 _reflns.d_resolution_high 1.80 _reflns.number_obs 102694 _reflns.number_all 102694 _reflns.percent_possible_obs 100 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI ? _reflns.B_iso_Wilson_estimate ? _reflns.pdbx_redundancy ? _reflns.R_free_details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? # _reflns_shell.pdbx_diffrn_id 1 _reflns_shell.pdbx_ordinal 1 _reflns_shell.d_res_high 1.80 _reflns_shell.d_res_low 1.86 _reflns_shell.percent_possible_all 100 _reflns_shell.Rmerge_I_obs ? _reflns_shell.pdbx_Rsym_value ? _reflns_shell.meanI_over_sigI_obs ? _reflns_shell.pdbx_redundancy ? _reflns_shell.percent_possible_obs ? _reflns_shell.number_unique_all ? _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_unique_obs ? _reflns_shell.pdbx_chi_squared ? # _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.entry_id 4K1I _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.ls_number_reflns_obs 97520 _refine.ls_number_reflns_all 102644 _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 30.00 _refine.ls_d_res_high 1.80 _refine.ls_percent_reflns_obs 99.49 _refine.ls_R_factor_obs 0.14596 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.14496 _refine.ls_R_factor_R_free 0.16508 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.0 _refine.ls_number_reflns_R_free 5135 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min 0.220 _refine.occupancy_max 1.000 _refine.correlation_coeff_Fo_to_Fc 0.970 _refine.correlation_coeff_Fo_to_Fc_free 0.964 _refine.B_iso_mean 20.052 _refine.aniso_B[1][1] 3.13 _refine.aniso_B[2][2] -1.63 _refine.aniso_B[3][3] -1.50 _refine.aniso_B[1][2] -0.00 _refine.aniso_B[1][3] 0.00 _refine.aniso_B[2][3] 0.00 _refine.solvent_model_details MASK _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii 1.20 _refine.pdbx_solvent_ion_probe_radii 0.80 _refine.pdbx_solvent_shrinkage_radii 0.80 _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details 'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' _refine.pdbx_starting_model ? _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R 0.086 _refine.pdbx_overall_ESU_R_Free 0.082 _refine.overall_SU_ML 0.055 _refine.pdbx_overall_phase_error ? _refine.overall_SU_B 3.424 _refine.overall_SU_R_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? _refine.ls_redundancy_reflns_obs ? _refine.B_iso_min ? _refine.B_iso_max ? _refine.overall_SU_R_free ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 6034 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 170 _refine_hist.number_atoms_solvent 933 _refine_hist.number_atoms_total 7137 _refine_hist.d_res_high 1.80 _refine_hist.d_res_low 30.00 # 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 r_bond_refined_d 0.005 0.019 ? 6411 'X-RAY DIFFRACTION' ? r_bond_other_d 0.002 0.020 ? 5724 'X-RAY DIFFRACTION' ? r_angle_refined_deg 1.249 1.947 ? 8739 'X-RAY DIFFRACTION' ? r_angle_other_deg 0.831 3.009 ? 13105 'X-RAY DIFFRACTION' ? r_dihedral_angle_1_deg 6.951 5.000 ? 784 'X-RAY DIFFRACTION' ? r_dihedral_angle_2_deg 35.090 23.758 ? 298 'X-RAY DIFFRACTION' ? r_dihedral_angle_3_deg 12.139 15.000 ? 983 'X-RAY DIFFRACTION' ? r_dihedral_angle_4_deg 14.330 15.000 ? 48 'X-RAY DIFFRACTION' ? r_chiral_restr 0.149 0.200 ? 945 'X-RAY DIFFRACTION' ? r_gen_planes_refined 0.004 0.021 ? 7350 'X-RAY DIFFRACTION' ? r_gen_planes_other 0.001 0.020 ? 1546 'X-RAY DIFFRACTION' ? r_nbd_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbtor_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbtor_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_vdw_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_vdw_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_hbond_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_hbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcbond_it ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcangle_it ? ? ? ? 'X-RAY DIFFRACTION' ? r_scbond_it ? ? ? ? 'X-RAY DIFFRACTION' ? r_scangle_it ? ? ? ? 'X-RAY DIFFRACTION' ? r_rigid_bond_restr ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_free ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_bonded ? ? ? ? 'X-RAY DIFFRACTION' ? # _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.d_res_high 1.805 _refine_ls_shell.d_res_low 1.852 _refine_ls_shell.number_reflns_R_work 6687 _refine_ls_shell.R_factor_R_work 0.189 _refine_ls_shell.percent_reflns_obs 93.70 _refine_ls_shell.R_factor_R_free 0.222 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 376 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.R_factor_all ? _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.number_reflns_obs ? # _pdbx_refine.pdbx_refine_id 'X-RAY DIFFRACTION' _pdbx_refine.entry_id 4K1I _pdbx_refine.R_factor_all_no_cutoff ? _pdbx_refine.R_factor_obs_no_cutoff ? _pdbx_refine.free_R_factor_no_cutoff ? _pdbx_refine.free_R_error_no_cutoff ? _pdbx_refine.free_R_val_test_set_size_perc_no_cutoff ? _pdbx_refine.free_R_val_test_set_ct_no_cutoff ? _pdbx_refine.R_factor_all_4sig_cutoff ? _pdbx_refine.R_factor_obs_4sig_cutoff ? _pdbx_refine.free_R_factor_4sig_cutoff ? _pdbx_refine.free_R_val_test_set_size_perc_4sig_cutoff ? _pdbx_refine.free_R_val_test_set_ct_4sig_cutoff ? _pdbx_refine.number_reflns_obs_4sig_cutoff ? # _struct.entry_id 4K1I _struct.title 'Induced opening of influenza virus neuraminidase N2 150-loop suggests an important role in inhibitor binding' _struct.pdbx_descriptor Neuraminidase _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 4K1I _struct_keywords.pdbx_keywords HYDROLASE _struct_keywords.text 'Beta-Propeller, glycoside hydrolase enzymes, HYDROLASE' # 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 1 ? C N N 2 ? D N N 3 ? E N N 3 ? F N N 3 ? G N N 4 ? H N N 5 ? I N N 6 ? J N N 2 ? K N N 3 ? L N N 3 ? M N N 3 ? N N N 4 ? O N N 5 ? P N N 6 ? Q N N 7 ? R N N 7 ? # _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 ? ALA A 29 ? ASN A 104 ALA A 110 1 ? 7 HELX_P HELX_P2 2 ASN A 61 ? ASN A 65 ? ASN A 142 ASN A 146 5 ? 5 HELX_P HELX_P3 3 ASN A 382 ? MET A 386 ? ASN A 463 MET A 467 5 ? 5 HELX_P HELX_P4 4 ASN B 23 ? ALA B 29 ? ASN B 104 ALA B 110 1 ? 7 HELX_P HELX_P5 5 ASN B 61 ? ASN B 65 ? ASN B 142 ASN B 146 5 ? 5 HELX_P HELX_P6 6 ASN B 382 ? MET B 386 ? ASN B 463 MET B 467 5 ? 5 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order disulf1 disulf ? ? A CYS 11 SG ? ? ? 1_555 A CYS 336 SG ? ? A CYS 92 A CYS 417 1_555 ? ? ? ? ? ? ? 2.042 ? disulf2 disulf ? ? A CYS 43 SG ? ? ? 1_555 A CYS 48 SG ? ? A CYS 124 A CYS 129 1_555 ? ? ? ? ? ? ? 2.044 ? disulf3 disulf ? ? A CYS 94 SG ? ? ? 1_555 A CYS 112 SG ? ? A CYS 175 A CYS 193 1_555 ? ? ? ? ? ? ? 2.018 ? disulf4 disulf ? ? A CYS 102 SG ? ? ? 1_555 A CYS 149 SG ? ? A CYS 183 A CYS 230 1_555 ? ? ? ? ? ? ? 2.028 ? disulf5 disulf ? ? A CYS 151 SG ? ? ? 1_555 A CYS 156 SG ? ? A CYS 232 A CYS 237 1_555 ? ? ? ? ? ? ? 2.052 ? disulf6 disulf ? ? A CYS 197 SG ? ? ? 1_555 A CYS 210 SG ? ? A CYS 278 A CYS 291 1_555 ? ? ? ? ? ? ? 2.079 ? disulf7 disulf ? ? A CYS 199 SG ? ? ? 1_555 A CYS 208 SG ? ? A CYS 280 A CYS 289 1_555 ? ? ? ? ? ? ? 2.043 ? disulf8 disulf ? ? A CYS 237 SG ? ? ? 1_555 A CYS 256 SG ? ? A CYS 318 A CYS 337 1_555 ? ? ? ? ? ? ? 2.047 ? disulf9 disulf ? ? A CYS 340 SG ? ? ? 1_555 A CYS 366 SG ? ? A CYS 421 A CYS 447 1_555 ? ? ? ? ? ? ? 2.069 ? disulf10 disulf ? ? B CYS 11 SG ? ? ? 1_555 B CYS 336 SG ? ? B CYS 92 B CYS 417 1_555 ? ? ? ? ? ? ? 2.051 ? disulf11 disulf ? ? B CYS 43 SG ? ? ? 1_555 B CYS 48 SG ? ? B CYS 124 B CYS 129 1_555 ? ? ? ? ? ? ? 2.041 ? disulf12 disulf ? ? B CYS 94 SG ? ? ? 1_555 B CYS 112 SG ? ? B CYS 175 B CYS 193 1_555 ? ? ? ? ? ? ? 2.022 ? disulf13 disulf ? ? B CYS 102 SG ? ? ? 1_555 B CYS 149 SG ? ? B CYS 183 B CYS 230 1_555 ? ? ? ? ? ? ? 2.027 ? disulf14 disulf ? ? B CYS 151 SG ? ? ? 1_555 B CYS 156 SG ? ? B CYS 232 B CYS 237 1_555 ? ? ? ? ? ? ? 2.053 ? disulf15 disulf ? ? B CYS 197 SG ? ? ? 1_555 B CYS 210 SG ? ? B CYS 278 B CYS 291 1_555 ? ? ? ? ? ? ? 2.070 ? disulf16 disulf ? ? B CYS 199 SG ? ? ? 1_555 B CYS 208 SG ? ? B CYS 280 B CYS 289 1_555 ? ? ? ? ? ? ? 2.040 ? disulf17 disulf ? ? B CYS 237 SG ? ? ? 1_555 B CYS 256 SG ? ? B CYS 318 B CYS 337 1_555 ? ? ? ? ? ? ? 2.055 ? disulf18 disulf ? ? B CYS 340 SG ? ? ? 1_555 B CYS 366 SG ? ? B CYS 421 B CYS 447 1_555 ? ? ? ? ? ? ? 2.084 ? covale1 covale ? ? L NAG . O4 ? ? ? 1_555 M NAG . C1 ? ? B NAG 503 B NAG 504 1_555 ? ? ? ? ? ? ? 1.435 ? covale2 covale ? ? E NAG . O4 ? ? ? 1_555 F NAG . C1 ? ? A NAG 503 A NAG 504 1_555 ? ? ? ? ? ? ? 1.435 ? covale3 covale ? ? B ASN 65 ND2 ? ? ? 1_555 K NAG . C1 ? ? B ASN 146 B NAG 502 1_555 ? ? ? ? ? ? ? 1.443 ? covale4 covale ? ? A ASN 119 ND2 ? ? ? 1_555 E NAG . C1 ? ? A ASN 200 A NAG 503 1_555 ? ? ? ? ? ? ? 1.444 ? covale5 covale ? ? B ASN 119 ND2 ? ? ? 1_555 L NAG . C1 ? ? B ASN 200 B NAG 503 1_555 ? ? ? ? ? ? ? 1.449 ? covale6 covale ? ? A ASN 65 ND2 ? ? ? 1_555 D NAG . C1 ? ? A ASN 146 A NAG 502 1_555 ? ? ? ? ? ? ? 1.453 ? metalc1 metalc ? ? A ASP 212 O ? ? ? 1_555 C CA . CA ? ? A ASP 293 A CA 501 1_555 ? ? ? ? ? ? ? 2.207 ? metalc2 metalc ? ? B ASP 212 O ? ? ? 1_555 J CA . CA ? ? B ASP 293 B CA 501 1_555 ? ? ? ? ? ? ? 2.258 ? metalc3 metalc ? ? A ASP 243 OD2 ? ? ? 1_555 C CA . CA ? ? A ASP 324 A CA 501 1_555 ? ? ? ? ? ? ? 2.317 ? metalc4 metalc ? ? J CA . CA ? ? ? 1_555 R HOH . O ? ? B CA 501 B HOH 601 1_555 ? ? ? ? ? ? ? 2.319 ? metalc5 metalc ? ? B GLN 266 O ? ? ? 1_555 J CA . CA ? ? B GLN 347 B CA 501 1_555 ? ? ? ? ? ? ? 2.342 ? metalc6 metalc ? ? A GLN 266 O ? ? ? 1_555 C CA . CA ? ? A GLN 347 A CA 501 1_555 ? ? ? ? ? ? ? 2.344 ? metalc7 metalc ? ? B ASP 243 OD2 ? ? ? 1_555 J CA . CA ? ? B ASP 324 B CA 501 1_555 ? ? ? ? ? ? ? 2.351 ? metalc8 metalc ? ? A GLY 216 O ? ? ? 1_555 C CA . CA ? ? A GLY 297 A CA 501 1_555 ? ? ? ? ? ? ? 2.359 ? metalc9 metalc ? ? A GLY 264 O ? ? ? 1_555 C CA . CA ? ? A GLY 345 A CA 501 1_555 ? ? ? ? ? ? ? 2.371 ? metalc10 metalc ? ? B GLY 264 O ? ? ? 1_555 J CA . CA ? ? B GLY 345 B CA 501 1_555 ? ? ? ? ? ? ? 2.372 ? metalc11 metalc ? ? B GLY 216 O ? ? ? 1_555 J CA . CA ? ? B GLY 297 B CA 501 1_555 ? ? ? ? ? ? ? 2.377 ? metalc12 metalc ? ? C CA . CA ? ? ? 1_555 Q HOH . O ? ? A CA 501 A HOH 607 1_555 ? ? ? ? ? ? ? 2.389 ? covale7 covale ? ? G BMA . O3 ? ? ? 1_555 H MAN . C1 ? ? A BMA 505 A MAN 506 1_555 ? ? ? ? ? ? ? 1.421 ? covale8 covale ? ? N BMA . O3 ? ? ? 1_555 O MAN . C1 ? ? B BMA 505 B MAN 506 1_555 ? ? ? ? ? ? ? 1.428 ? covale9 covale ? ? F NAG . O4 ? ? ? 1_555 G BMA . C1 ? ? A NAG 504 A BMA 505 1_555 ? ? ? ? ? ? ? 1.431 ? covale10 covale ? ? M NAG . O4 ? ? ? 1_555 N BMA . C1 ? ? B NAG 504 B BMA 505 1_555 ? ? ? ? ? ? ? 1.432 ? # 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 8.73 2 THR 244 A . ? THR 325 A PRO 245 A ? PRO 326 A 1 5.24 3 ARG 349 A . ? ARG 430 A PRO 350 A ? PRO 431 A 1 1.60 4 TYR 203 B . ? TYR 284 B PRO 204 B ? PRO 285 B 1 5.26 5 THR 244 B . ? THR 325 B PRO 245 B ? PRO 326 B 1 6.79 6 ARG 349 B . ? ARG 430 B PRO 350 B ? PRO 431 B 1 4.47 # 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 ? H ? 4 ? I ? 4 ? J ? 4 ? K ? 4 ? L ? 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 H 1 2 ? anti-parallel H 2 3 ? anti-parallel H 3 4 ? anti-parallel I 1 2 ? anti-parallel I 2 3 ? anti-parallel I 3 4 ? anti-parallel J 1 2 ? anti-parallel J 2 3 ? anti-parallel J 3 4 ? anti-parallel K 1 2 ? anti-parallel K 2 3 ? anti-parallel K 3 4 ? anti-parallel L 1 2 ? anti-parallel L 2 3 ? anti-parallel L 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 VAL A 150 ? ILE A 152 ? VAL A 231 ILE A 233 D 2 THR A 155 ? GLY A 163 ? THR A 236 GLY A 244 D 3 ALA A 169 ? GLU A 177 ? ALA A 250 GLU A 258 D 4 LYS A 180 ? PRO A 186 ? LYS A 261 PRO A 267 E 1 GLU A 195 ? ARG A 202 ? GLU A 276 ARG A 283 E 2 GLY A 205 ? ARG A 211 ? GLY A 286 ARG A 292 E 3 PRO A 220 ? ILE A 224 ? PRO A 301 ILE A 305 E 4 ILE A 231 ? TYR A 235 ? ILE A 312 TYR A 316 F 1 ALA A 272 ? ASN A 275 ? ALA A 353 ASN A 356 F 2 ASP A 278 ? ARG A 283 ? ASP A 359 ARG A 364 F 3 SER A 291 ? VAL A 298 ? SER A 372 VAL A 379 F 4 GLN A 310 ? TRP A 322 ? GLN A 391 TRP A 403 G 1 GLY B 15 ? LYS B 21 ? GLY B 96 LYS B 102 G 2 THR B 358 ? THR B 368 ? THR B 439 THR B 449 G 3 ILE B 337 ? GLY B 348 ? ILE B 418 GLY B 429 G 4 SER B 326 ? GLU B 332 ? SER B 407 GLU B 413 H 1 TRP B 34 ? CYS B 43 ? TRP B 115 CYS B 124 H 2 CYS B 48 ? THR B 58 ? CYS B 129 THR B 139 H 3 THR B 76 ? GLU B 81 ? THR B 157 GLU B 162 H 4 ARG B 91 ? ILE B 95 ? ARG B 172 ILE B 176 I 1 SER B 98 ? HIS B 103 ? SER B 179 HIS B 184 I 2 TRP B 108 ? ASP B 116 ? TRP B 189 ASP B 197 I 3 ASN B 119 ? TYR B 126 ? ASN B 200 TYR B 207 I 4 ARG B 129 ? GLY B 135 ? ARG B 210 GLY B 216 J 1 VAL B 150 ? ILE B 152 ? VAL B 231 ILE B 233 J 2 THR B 155 ? GLY B 163 ? THR B 236 GLY B 244 J 3 ALA B 169 ? GLU B 177 ? ALA B 250 GLU B 258 J 4 LYS B 180 ? PRO B 186 ? LYS B 261 PRO B 267 K 1 GLU B 195 ? ARG B 202 ? GLU B 276 ARG B 283 K 2 GLY B 205 ? ARG B 211 ? GLY B 286 ARG B 292 K 3 PRO B 220 ? ILE B 224 ? PRO B 301 ILE B 305 K 4 ILE B 231 ? TYR B 235 ? ILE B 312 TYR B 316 L 1 ALA B 272 ? ASN B 275 ? ALA B 353 ASN B 356 L 2 ASP B 278 ? ARG B 283 ? ASP B 359 ARG B 364 L 3 SER B 291 ? VAL B 298 ? SER B 372 VAL B 379 L 4 GLN B 310 ? TRP B 322 ? GLN B 391 TRP B 403 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id A 1 2 N ALA A 17 ? N ALA A 98 O CYS A 366 ? O CYS A 447 A 2 3 O SER A 361 ? O SER A 442 N LEU A 345 ? N LEU A 426 A 3 4 O CYS A 340 ? O CYS A 421 N PHE A 329 ? N PHE A 410 B 1 2 N TYR A 40 ? N TYR A 121 O PHE A 51 ? O PHE A 132 B 2 3 N ALA A 52 ? N ALA A 133 O LEU A 78 ? O LEU A 159 B 3 4 N LEU A 77 ? N LEU A 158 O VAL A 93 ? O VAL A 174 C 1 2 N CYS A 102 ? N CYS A 183 O LEU A 109 ? O LEU A 190 C 2 3 N CYS A 112 ? N CYS A 193 O SER A 123 ? O SER A 204 C 3 4 N PHE A 124 ? N PHE A 205 O VAL A 131 ? O VAL A 212 D 1 2 N VAL A 150 ? N VAL A 231 O THR A 157 ? O THR A 238 D 2 3 N CYS A 156 ? N CYS A 237 O ILE A 176 ? O ILE A 257 D 3 4 N ILE A 173 ? N ILE A 254 O SER A 185 ? O SER A 266 E 1 2 N ARG A 202 ? N ARG A 283 O GLY A 205 ? O GLY A 286 E 2 3 N VAL A 206 ? N VAL A 287 O ILE A 224 ? O ILE A 305 E 3 4 N ASP A 223 ? N ASP A 304 O ASP A 232 ? O ASP A 313 F 1 2 N PHE A 273 ? N PHE A 354 O TRP A 280 ? O TRP A 361 F 2 3 N LEU A 279 ? N LEU A 360 O VAL A 298 ? O VAL A 379 F 3 4 N GLY A 292 ? N GLY A 373 O ASN A 321 ? O ASN A 402 G 1 2 N ALA B 17 ? N ALA B 98 O CYS B 366 ? O CYS B 447 G 2 3 O SER B 361 ? O SER B 442 N LEU B 345 ? N LEU B 426 G 3 4 O CYS B 340 ? O CYS B 421 N PHE B 329 ? N PHE B 410 H 1 2 N TYR B 40 ? N TYR B 121 O PHE B 51 ? O PHE B 132 H 2 3 N ALA B 52 ? N ALA B 133 O LEU B 78 ? O LEU B 159 H 3 4 N LEU B 77 ? N LEU B 158 O VAL B 93 ? O VAL B 174 I 1 2 N CYS B 102 ? N CYS B 183 O LEU B 109 ? O LEU B 190 I 2 3 N CYS B 112 ? N CYS B 193 O SER B 123 ? O SER B 204 I 3 4 N ALA B 122 ? N ALA B 203 O ILE B 134 ? O ILE B 215 J 1 2 N VAL B 150 ? N VAL B 231 O THR B 157 ? O THR B 238 J 2 3 N CYS B 156 ? N CYS B 237 O ILE B 176 ? O ILE B 257 J 3 4 N ILE B 173 ? N ILE B 254 O SER B 185 ? O SER B 266 K 1 2 N ARG B 202 ? N ARG B 283 O GLY B 205 ? O GLY B 286 K 2 3 N VAL B 206 ? N VAL B 287 O ILE B 224 ? O ILE B 305 K 3 4 N VAL B 221 ? N VAL B 302 O SER B 234 ? O SER B 315 L 1 2 N PHE B 273 ? N PHE B 354 O TRP B 280 ? O TRP B 361 L 2 3 N LEU B 279 ? N LEU B 360 O VAL B 298 ? O VAL B 379 L 3 4 N GLY B 292 ? N GLY B 373 O ASN B 321 ? O ASN B 402 # 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 ? ? ? ? 6 'BINDING SITE FOR RESIDUE CA A 501' AC2 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE NAG A 502' AC3 Software ? ? ? ? 15 'BINDING SITE FOR RESIDUE G39 A 507' AC4 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE CA B 501' AC5 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE NAG B 502' AC6 Software ? ? ? ? 13 'BINDING SITE FOR RESIDUE G39 B 507' AC7 Software ? ? ? ? 24 'BINDING SITE FOR LINKED RESIDUES A 503 to 506' AC8 Software ? ? ? ? 23 'BINDING SITE FOR LINKED RESIDUES B 503 to 506' # loop_ _struct_site_gen.id _struct_site_gen.site_id _struct_site_gen.pdbx_num_res _struct_site_gen.label_comp_id _struct_site_gen.label_asym_id _struct_site_gen.label_seq_id _struct_site_gen.pdbx_auth_ins_code _struct_site_gen.auth_comp_id _struct_site_gen.auth_asym_id _struct_site_gen.auth_seq_id _struct_site_gen.label_atom_id _struct_site_gen.label_alt_id _struct_site_gen.symmetry _struct_site_gen.details 1 AC1 6 ASP A 212 ? ASP A 293 . ? 1_555 ? 2 AC1 6 GLY A 216 ? GLY A 297 . ? 1_555 ? 3 AC1 6 ASP A 243 ? ASP A 324 . ? 1_555 ? 4 AC1 6 GLY A 264 ? GLY A 345 . ? 1_555 ? 5 AC1 6 GLN A 266 ? GLN A 347 . ? 1_555 ? 6 AC1 6 HOH Q . ? HOH A 607 . ? 1_555 ? 7 AC2 5 ASN A 65 ? ASN A 146 . ? 1_555 ? 8 AC2 5 TRP A 356 ? TRP A 437 . ? 1_555 ? 9 AC2 5 ILE A 388 ? ILE A 469 . ? 1_555 ? 10 AC2 5 HOH Q . ? HOH A 746 . ? 1_555 ? 11 AC2 5 HOH Q . ? HOH A 996 . ? 1_555 ? 12 AC3 15 ARG A 37 ? ARG A 118 . ? 1_555 ? 13 AC3 15 GLU A 38 ? GLU A 119 . ? 1_555 ? 14 AC3 15 ASP A 70 ? ASP A 151 . ? 1_555 ? 15 AC3 15 ARG A 71 ? ARG A 152 . ? 1_555 ? 16 AC3 15 ARG A 143 ? ARG A 224 . ? 1_555 ? 17 AC3 15 ALA A 165 ? ALA A 246 . ? 1_555 ? 18 AC3 15 GLU A 195 ? GLU A 276 . ? 1_555 ? 19 AC3 15 GLU A 196 ? GLU A 277 . ? 1_555 ? 20 AC3 15 ARG A 211 ? ARG A 292 . ? 1_555 ? 21 AC3 15 ASN A 213 ? ASN A 294 . ? 1_555 ? 22 AC3 15 ARG A 290 ? ARG A 371 . ? 1_555 ? 23 AC3 15 TYR A 325 ? TYR A 406 . ? 1_555 ? 24 AC3 15 HOH Q . ? HOH A 692 . ? 1_555 ? 25 AC3 15 HOH Q . ? HOH A 786 . ? 1_555 ? 26 AC3 15 HOH Q . ? HOH A 1058 . ? 1_555 ? 27 AC4 6 ASP B 212 ? ASP B 293 . ? 1_555 ? 28 AC4 6 GLY B 216 ? GLY B 297 . ? 1_555 ? 29 AC4 6 ASP B 243 ? ASP B 324 . ? 1_555 ? 30 AC4 6 GLY B 264 ? GLY B 345 . ? 1_555 ? 31 AC4 6 GLN B 266 ? GLN B 347 . ? 1_555 ? 32 AC4 6 HOH R . ? HOH B 601 . ? 1_555 ? 33 AC5 5 ASN B 65 ? ASN B 146 . ? 1_555 ? 34 AC5 5 TRP B 356 ? TRP B 437 . ? 1_555 ? 35 AC5 5 ILE B 388 ? ILE B 469 . ? 1_555 ? 36 AC5 5 HOH R . ? HOH B 768 . ? 1_555 ? 37 AC5 5 HOH R . ? HOH B 1048 . ? 1_555 ? 38 AC6 13 ARG B 37 ? ARG B 118 . ? 1_555 ? 39 AC6 13 GLU B 38 ? GLU B 119 . ? 1_555 ? 40 AC6 13 ASP B 70 ? ASP B 151 . ? 1_555 ? 41 AC6 13 ARG B 71 ? ARG B 152 . ? 1_555 ? 42 AC6 13 GLU B 195 ? GLU B 276 . ? 1_555 ? 43 AC6 13 GLU B 196 ? GLU B 277 . ? 1_555 ? 44 AC6 13 ARG B 211 ? ARG B 292 . ? 1_555 ? 45 AC6 13 ASN B 213 ? ASN B 294 . ? 1_555 ? 46 AC6 13 ARG B 290 ? ARG B 371 . ? 1_555 ? 47 AC6 13 TYR B 325 ? TYR B 406 . ? 1_555 ? 48 AC6 13 HOH R . ? HOH B 725 . ? 1_555 ? 49 AC6 13 HOH R . ? HOH B 985 . ? 1_555 ? 50 AC6 13 HOH R . ? HOH B 988 . ? 1_555 ? 51 AC7 24 ASN A 119 ? ASN A 200 . ? 1_555 ? 52 AC7 24 HOH Q . ? HOH A 629 . ? 1_555 ? 53 AC7 24 HOH Q . ? HOH A 678 . ? 1_555 ? 54 AC7 24 HOH Q . ? HOH A 686 . ? 1_555 ? 55 AC7 24 HOH Q . ? HOH A 690 . ? 1_555 ? 56 AC7 24 HOH Q . ? HOH A 723 . ? 1_555 ? 57 AC7 24 HOH Q . ? HOH A 725 . ? 1_555 ? 58 AC7 24 HOH Q . ? HOH A 810 . ? 1_555 ? 59 AC7 24 HOH Q . ? HOH A 833 . ? 1_555 ? 60 AC7 24 HOH Q . ? HOH A 879 . ? 1_555 ? 61 AC7 24 HOH Q . ? HOH A 913 . ? 1_555 ? 62 AC7 24 HOH Q . ? HOH A 960 . ? 1_555 ? 63 AC7 24 HOH Q . ? HOH A 964 . ? 1_555 ? 64 AC7 24 HOH Q . ? HOH A 1011 . ? 1_555 ? 65 AC7 24 HOH Q . ? HOH A 1035 . ? 1_555 ? 66 AC7 24 GLN B 310 ? GLN B 391 . ? 1_555 ? 67 AC7 24 VAL B 311 ? VAL B 392 . ? 1_555 ? 68 AC7 24 ASN B 312 ? ASN B 393 . ? 1_555 ? 69 AC7 24 ARG B 313 ? ARG B 394 . ? 1_555 ? 70 AC7 24 TYR B 372 ? TYR B 453 . ? 1_555 ? 71 AC7 24 GLY B 373 ? GLY B 454 . ? 1_555 ? 72 AC7 24 THR B 374 ? THR B 455 . ? 1_555 ? 73 AC7 24 HOH R . ? HOH B 635 . ? 1_555 ? 74 AC7 24 HOH R . ? HOH B 684 . ? 1_555 ? 75 AC8 23 GLN A 310 ? GLN A 391 . ? 4_555 ? 76 AC8 23 VAL A 311 ? VAL A 392 . ? 4_555 ? 77 AC8 23 ASN A 312 ? ASN A 393 . ? 4_555 ? 78 AC8 23 ARG A 313 ? ARG A 394 . ? 4_555 ? 79 AC8 23 TYR A 372 ? TYR A 453 . ? 4_555 ? 80 AC8 23 GLY A 373 ? GLY A 454 . ? 4_555 ? 81 AC8 23 THR A 374 ? THR A 455 . ? 4_555 ? 82 AC8 23 HOH Q . ? HOH A 624 . ? 4_555 ? 83 AC8 23 HOH Q . ? HOH A 667 . ? 4_555 ? 84 AC8 23 HOH Q . ? HOH A 675 . ? 4_555 ? 85 AC8 23 ASN B 119 ? ASN B 200 . ? 1_555 ? 86 AC8 23 HOH R . ? HOH B 705 . ? 1_555 ? 87 AC8 23 HOH R . ? HOH B 727 . ? 1_555 ? 88 AC8 23 HOH R . ? HOH B 735 . ? 1_555 ? 89 AC8 23 HOH R . ? HOH B 753 . ? 1_555 ? 90 AC8 23 HOH R . ? HOH B 758 . ? 1_555 ? 91 AC8 23 HOH R . ? HOH B 786 . ? 1_555 ? 92 AC8 23 HOH R . ? HOH B 830 . ? 1_555 ? 93 AC8 23 HOH R . ? HOH B 835 . ? 1_555 ? 94 AC8 23 HOH R . ? HOH B 881 . ? 1_555 ? 95 AC8 23 HOH R . ? HOH B 984 . ? 1_555 ? 96 AC8 23 HOH R . ? HOH B 1010 . ? 1_555 ? 97 AC8 23 HOH R . ? HOH B 1075 . ? 1_555 ? # _database_PDB_matrix.entry_id 4K1I _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 4K1I _atom_sites.fract_transf_matrix[1][1] 0.008663 _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] 0.007188 _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] 0.007143 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C CA N O S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . VAL A 1 1 ? -43.308 7.723 -8.493 1.00 43.77 ? 82 VAL A N 1 ATOM 2 C CA . VAL A 1 1 ? -42.463 8.945 -8.670 1.00 42.89 ? 82 VAL A CA 1 ATOM 3 C C . VAL A 1 1 ? -42.920 9.741 -9.899 1.00 40.59 ? 82 VAL A C 1 ATOM 4 O O . VAL A 1 1 ? -43.252 9.158 -10.930 1.00 41.02 ? 82 VAL A O 1 ATOM 5 C CB . VAL A 1 1 ? -40.954 8.595 -8.777 1.00 43.60 ? 82 VAL A CB 1 ATOM 6 C CG1 . VAL A 1 1 ? -40.368 8.296 -7.400 1.00 43.84 ? 82 VAL A CG1 1 ATOM 7 C CG2 . VAL A 1 1 ? -40.723 7.420 -9.720 1.00 44.17 ? 82 VAL A CG2 1 ATOM 8 N N . GLU A 1 2 ? -42.957 11.068 -9.772 1.00 37.74 ? 83 GLU A N 1 ATOM 9 C CA . GLU A 1 2 ? -43.403 11.953 -10.852 1.00 35.70 ? 83 GLU A CA 1 ATOM 10 C C . GLU A 1 2 ? -42.203 12.648 -11.492 1.00 31.42 ? 83 GLU A C 1 ATOM 11 O O . GLU A 1 2 ? -41.148 12.770 -10.870 1.00 29.50 ? 83 GLU A O 1 ATOM 12 C CB . GLU A 1 2 ? -44.358 13.024 -10.316 1.00 38.00 ? 83 GLU A CB 1 ATOM 13 C CG . GLU A 1 2 ? -45.585 12.496 -9.573 1.00 40.78 ? 83 GLU A CG 1 ATOM 14 C CD . GLU A 1 2 ? -46.730 12.083 -10.488 1.00 43.02 ? 83 GLU A CD 1 ATOM 15 O OE1 . GLU A 1 2 ? -47.890 12.096 -10.021 1.00 45.94 ? 83 GLU A OE1 1 ATOM 16 O OE2 . GLU A 1 2 ? -46.485 11.742 -11.664 1.00 45.36 ? 83 GLU A OE2 1 ATOM 17 N N . TYR A 1 3 ? -42.374 13.107 -12.730 1.00 27.95 ? 84 TYR A N 1 ATOM 18 C CA . TYR A 1 3 ? -41.335 13.890 -13.399 1.00 26.15 ? 84 TYR A CA 1 ATOM 19 C C . TYR A 1 3 ? -41.147 15.238 -12.705 1.00 24.89 ? 84 TYR A C 1 ATOM 20 O O . TYR A 1 3 ? -42.113 15.848 -12.242 1.00 24.25 ? 84 TYR A O 1 ATOM 21 C CB . TYR A 1 3 ? -41.695 14.155 -14.863 1.00 26.05 ? 84 TYR A CB 1 ATOM 22 C CG . TYR A 1 3 ? -41.594 12.967 -15.794 1.00 25.55 ? 84 TYR A CG 1 ATOM 23 C CD1 . TYR A 1 3 ? -40.421 12.221 -15.887 1.00 24.98 ? 84 TYR A CD1 1 ATOM 24 C CD2 . TYR A 1 3 ? -42.663 12.612 -16.613 1.00 25.68 ? 84 TYR A CD2 1 ATOM 25 C CE1 . TYR A 1 3 ? -40.326 11.141 -16.750 1.00 25.05 ? 84 TYR A CE1 1 ATOM 26 C CE2 . TYR A 1 3 ? -42.574 11.538 -17.483 1.00 25.79 ? 84 TYR A CE2 1 ATOM 27 C CZ . TYR A 1 3 ? -41.402 10.806 -17.550 1.00 25.63 ? 84 TYR A CZ 1 ATOM 28 O OH . TYR A 1 3 ? -41.310 9.740 -18.414 1.00 26.11 ? 84 TYR A OH 1 ATOM 29 N N . ARG A 1 4 ? -39.903 15.703 -12.657 1.00 23.43 ? 85 ARG A N 1 ATOM 30 C CA . ARG A 1 4 ? -39.594 17.058 -12.208 1.00 23.11 ? 85 ARG A CA 1 ATOM 31 C C . ARG A 1 4 ? -40.114 18.101 -13.194 1.00 22.95 ? 85 ARG A C 1 ATOM 32 O O . ARG A 1 4 ? -39.968 17.942 -14.408 1.00 22.56 ? 85 ARG A O 1 ATOM 33 C CB . ARG A 1 4 ? -38.083 17.245 -12.084 1.00 22.48 ? 85 ARG A CB 1 ATOM 34 C CG . ARG A 1 4 ? -37.480 16.669 -10.818 1.00 22.50 ? 85 ARG A CG 1 ATOM 35 C CD . ARG A 1 4 ? -35.976 16.504 -10.976 1.00 21.65 ? 85 ARG A CD 1 ATOM 36 N NE . ARG A 1 4 ? -35.251 16.718 -9.727 1.00 21.59 ? 85 ARG A NE 1 ATOM 37 C CZ . ARG A 1 4 ? -33.933 16.591 -9.596 1.00 20.90 ? 85 ARG A CZ 1 ATOM 38 N NH1 . ARG A 1 4 ? -33.182 16.236 -10.633 1.00 20.25 ? 85 ARG A NH1 1 ATOM 39 N NH2 . ARG A 1 4 ? -33.362 16.826 -8.422 1.00 21.10 ? 85 ARG A NH2 1 ATOM 40 N N . ASN A 1 5 ? -40.716 19.164 -12.670 1.00 23.14 ? 86 ASN A N 1 ATOM 41 C CA . ASN A 1 5 ? -41.090 20.320 -13.486 1.00 23.74 ? 86 ASN A CA 1 ATOM 42 C C . ASN A 1 5 ? -40.297 21.576 -13.133 1.00 22.62 ? 86 ASN A C 1 ATOM 43 O O . ASN A 1 5 ? -40.223 22.499 -13.939 1.00 22.77 ? 86 ASN A O 1 ATOM 44 C CB . ASN A 1 5 ? -42.593 20.591 -13.375 1.00 25.53 ? 86 ASN A CB 1 ATOM 45 C CG . ASN A 1 5 ? -43.428 19.595 -14.160 1.00 27.42 ? 86 ASN A CG 1 ATOM 46 O OD1 . ASN A 1 5 ? -42.969 19.010 -15.145 1.00 28.52 ? 86 ASN A OD1 1 ATOM 47 N ND2 . ASN A 1 5 ? -44.679 19.410 -13.737 1.00 29.17 ? 86 ASN A ND2 1 ATOM 48 N N . TRP A 1 6 ? -39.706 21.608 -11.941 1.00 21.29 ? 87 TRP A N 1 ATOM 49 C CA . TRP A 1 6 ? -38.980 22.782 -11.455 1.00 21.10 ? 87 TRP A CA 1 ATOM 50 C C . TRP A 1 6 ? -39.859 24.038 -11.480 1.00 21.34 ? 87 TRP A C 1 ATOM 51 O O . TRP A 1 6 ? -39.369 25.149 -11.689 1.00 20.86 ? 87 TRP A O 1 ATOM 52 C CB . TRP A 1 6 ? -37.692 23.022 -12.272 1.00 20.24 ? 87 TRP A CB 1 ATOM 53 C CG . TRP A 1 6 ? -36.751 21.854 -12.348 1.00 19.67 ? 87 TRP A CG 1 ATOM 54 C CD1 . TRP A 1 6 ? -36.657 20.941 -13.357 1.00 19.61 ? 87 TRP A CD1 1 ATOM 55 C CD2 . TRP A 1 6 ? -35.750 21.493 -11.388 1.00 19.34 ? 87 TRP A CD2 1 ATOM 56 N NE1 . TRP A 1 6 ? -35.669 20.022 -13.079 1.00 19.38 ? 87 TRP A NE1 1 ATOM 57 C CE2 . TRP A 1 6 ? -35.095 20.341 -11.877 1.00 19.20 ? 87 TRP A CE2 1 ATOM 58 C CE3 . TRP A 1 6 ? -35.341 22.034 -10.163 1.00 19.34 ? 87 TRP A CE3 1 ATOM 59 C CZ2 . TRP A 1 6 ? -34.058 19.720 -11.184 1.00 18.91 ? 87 TRP A CZ2 1 ATOM 60 C CZ3 . TRP A 1 6 ? -34.317 21.416 -9.472 1.00 19.08 ? 87 TRP A CZ3 1 ATOM 61 C CH2 . TRP A 1 6 ? -33.682 20.266 -9.984 1.00 19.01 ? 87 TRP A CH2 1 ATOM 62 N N . SER A 1 7 ? -41.159 23.861 -11.252 1.00 22.34 ? 88 SER A N 1 ATOM 63 C CA . SER A 1 7 ? -42.109 24.963 -11.370 1.00 23.49 ? 88 SER A CA 1 ATOM 64 C C . SER A 1 7 ? -42.292 25.671 -10.032 1.00 24.09 ? 88 SER A C 1 ATOM 65 O O . SER A 1 7 ? -43.408 25.800 -9.529 1.00 25.04 ? 88 SER A O 1 ATOM 66 C CB . SER A 1 7 ? -43.449 24.444 -11.884 1.00 24.18 ? 88 SER A CB 1 ATOM 67 O OG . SER A 1 7 ? -43.899 23.384 -11.064 1.00 24.87 ? 88 SER A OG 1 ATOM 68 N N . LYS A 1 8 ? -41.182 26.114 -9.453 1.00 23.61 ? 89 LYS A N 1 ATOM 69 C CA . LYS A 1 8 ? -41.195 26.946 -8.259 1.00 23.75 ? 89 LYS A CA 1 ATOM 70 C C . LYS A 1 8 ? -40.347 28.178 -8.569 1.00 23.56 ? 89 LYS A C 1 ATOM 71 O O . LYS A 1 8 ? -39.493 28.129 -9.459 1.00 23.19 ? 89 LYS A O 1 ATOM 72 C CB . LYS A 1 8 ? -40.626 26.180 -7.056 1.00 23.65 ? 89 LYS A CB 1 ATOM 73 C CG . LYS A 1 8 ? -41.485 25.006 -6.606 1.00 24.18 ? 89 LYS A CG 1 ATOM 74 C CD . LYS A 1 8 ? -40.874 24.277 -5.420 1.00 24.14 ? 89 LYS A CD 1 ATOM 75 C CE . LYS A 1 8 ? -41.754 23.128 -4.953 1.00 24.71 ? 89 LYS A CE 1 ATOM 76 N NZ . LYS A 1 8 ? -41.062 22.202 -4.010 1.00 24.61 ? 89 LYS A NZ 1 ATOM 77 N N . PRO A 1 9 ? -40.578 29.289 -7.849 1.00 23.36 ? 90 PRO A N 1 ATOM 78 C CA . PRO A 1 9 ? -39.710 30.446 -8.063 1.00 22.90 ? 90 PRO A CA 1 ATOM 79 C C . PRO A 1 9 ? -38.270 30.155 -7.636 1.00 21.76 ? 90 PRO A C 1 ATOM 80 O O . PRO A 1 9 ? -38.035 29.263 -6.821 1.00 21.13 ? 90 PRO A O 1 ATOM 81 C CB . PRO A 1 9 ? -40.332 31.528 -7.174 1.00 23.59 ? 90 PRO A CB 1 ATOM 82 C CG . PRO A 1 9 ? -41.084 30.781 -6.130 1.00 24.23 ? 90 PRO A CG 1 ATOM 83 C CD . PRO A 1 9 ? -41.571 29.523 -6.787 1.00 24.10 ? 90 PRO A CD 1 ATOM 84 N N . GLN A 1 10 ? -37.324 30.893 -8.201 1.00 21.02 ? 91 GLN A N 1 ATOM 85 C CA . GLN A 1 10 ? -35.929 30.820 -7.775 1.00 20.76 ? 91 GLN A CA 1 ATOM 86 C C . GLN A 1 10 ? -35.803 31.383 -6.362 1.00 21.64 ? 91 GLN A C 1 ATOM 87 O O . GLN A 1 10 ? -36.407 32.411 -6.049 1.00 21.50 ? 91 GLN A O 1 ATOM 88 C CB . GLN A 1 10 ? -35.061 31.614 -8.745 1.00 20.19 ? 91 GLN A CB 1 ATOM 89 C CG . GLN A 1 10 ? -33.591 31.744 -8.381 1.00 19.52 ? 91 GLN A CG 1 ATOM 90 C CD . GLN A 1 10 ? -32.812 32.331 -9.535 1.00 19.25 ? 91 GLN A CD 1 ATOM 91 O OE1 . GLN A 1 10 ? -32.527 31.641 -10.510 1.00 18.81 ? 91 GLN A OE1 1 ATOM 92 N NE2 . GLN A 1 10 ? -32.505 33.622 -9.455 1.00 19.26 ? 91 GLN A NE2 1 ATOM 93 N N . CYS A 1 11 ? -35.043 30.699 -5.507 1.00 22.39 ? 92 CYS A N 1 ATOM 94 C CA . CYS A 1 11 ? -34.800 31.171 -4.142 1.00 23.48 ? 92 CYS A CA 1 ATOM 95 C C . CYS A 1 11 ? -34.100 32.527 -4.205 1.00 24.06 ? 92 CYS A C 1 ATOM 96 O O . CYS A 1 11 ? -33.227 32.738 -5.038 1.00 23.44 ? 92 CYS A O 1 ATOM 97 C CB . CYS A 1 11 ? -33.921 30.180 -3.363 1.00 23.84 ? 92 CYS A CB 1 ATOM 98 S SG . CYS A 1 11 ? -34.584 28.504 -3.174 1.00 25.14 ? 92 CYS A SG 1 ATOM 99 N N . GLN A 1 12 ? -34.488 33.449 -3.335 1.00 25.58 ? 93 GLN A N 1 ATOM 100 C CA . GLN A 1 12 ? -33.870 34.770 -3.316 1.00 27.14 ? 93 GLN A CA 1 ATOM 101 C C . GLN A 1 12 ? -32.682 34.710 -2.370 1.00 26.81 ? 93 GLN A C 1 ATOM 102 O O . GLN A 1 12 ? -32.858 34.635 -1.157 1.00 29.96 ? 93 GLN A O 1 ATOM 103 C CB . GLN A 1 12 ? -34.882 35.840 -2.886 1.00 29.04 ? 93 GLN A CB 1 ATOM 104 C CG . GLN A 1 12 ? -36.020 36.033 -3.880 1.00 30.19 ? 93 GLN A CG 1 ATOM 105 C CD . GLN A 1 12 ? -35.533 36.524 -5.233 1.00 31.26 ? 93 GLN A CD 1 ATOM 106 O OE1 . GLN A 1 12 ? -34.943 37.602 -5.339 1.00 33.17 ? 93 GLN A OE1 1 ATOM 107 N NE2 . GLN A 1 12 ? -35.773 35.733 -6.276 1.00 31.65 ? 93 GLN A NE2 1 ATOM 108 N N . ILE A 1 13 ? -31.477 34.735 -2.927 1.00 24.90 ? 94 ILE A N 1 ATOM 109 C CA . ILE A 1 13 ? -30.274 34.512 -2.141 1.00 23.98 ? 94 ILE A CA 1 ATOM 110 C C . ILE A 1 13 ? -29.506 35.793 -1.823 1.00 22.49 ? 94 ILE A C 1 ATOM 111 O O . ILE A 1 13 ? -29.626 36.809 -2.515 1.00 21.54 ? 94 ILE A O 1 ATOM 112 C CB . ILE A 1 13 ? -29.319 33.506 -2.826 1.00 24.32 ? 94 ILE A CB 1 ATOM 113 C CG1 . ILE A 1 13 ? -28.683 34.108 -4.083 1.00 24.26 ? 94 ILE A CG1 1 ATOM 114 C CG2 . ILE A 1 13 ? -30.053 32.201 -3.149 1.00 24.59 ? 94 ILE A CG2 1 ATOM 115 C CD1 . ILE A 1 13 ? -27.521 33.288 -4.596 1.00 24.51 ? 94 ILE A CD1 1 ATOM 116 N N . THR A 1 14 ? -28.722 35.714 -0.754 1.00 20.85 ? 95 THR A N 1 ATOM 117 C CA . THR A 1 14 ? -27.869 36.800 -0.298 1.00 20.14 ? 95 THR A CA 1 ATOM 118 C C . THR A 1 14 ? -26.405 36.501 -0.605 1.00 18.97 ? 95 THR A C 1 ATOM 119 O O . THR A 1 14 ? -25.526 37.322 -0.338 1.00 18.70 ? 95 THR A O 1 ATOM 120 C CB . THR A 1 14 ? -27.996 36.962 1.219 1.00 20.52 ? 95 THR A CB 1 ATOM 121 O OG1 . THR A 1 14 ? -27.592 35.742 1.854 1.00 20.37 ? 95 THR A OG1 1 ATOM 122 C CG2 . THR A 1 14 ? -29.438 37.271 1.607 1.00 20.98 ? 95 THR A CG2 1 ATOM 123 N N . GLY A 1 15 ? -26.162 35.325 -1.173 1.00 17.74 ? 96 GLY A N 1 ATOM 124 C CA . GLY A 1 15 ? -24.820 34.800 -1.377 1.00 16.93 ? 96 GLY A CA 1 ATOM 125 C C . GLY A 1 15 ? -24.870 33.290 -1.256 1.00 16.45 ? 96 GLY A C 1 ATOM 126 O O . GLY A 1 15 ? -25.935 32.679 -1.406 1.00 15.97 ? 96 GLY A O 1 ATOM 127 N N . PHE A 1 16 ? -23.723 32.692 -0.950 1.00 16.07 ? 97 PHE A N 1 ATOM 128 C CA . PHE A 1 16 ? -23.583 31.249 -0.922 1.00 15.75 ? 97 PHE A CA 1 ATOM 129 C C . PHE A 1 16 ? -22.935 30.767 0.373 1.00 15.65 ? 97 PHE A C 1 ATOM 130 O O . PHE A 1 16 ? -22.104 31.467 0.963 1.00 15.99 ? 97 PHE A O 1 ATOM 131 C CB . PHE A 1 16 ? -22.768 30.793 -2.130 1.00 15.48 ? 97 PHE A CB 1 ATOM 132 C CG . PHE A 1 16 ? -23.305 31.302 -3.441 1.00 15.44 ? 97 PHE A CG 1 ATOM 133 C CD1 . PHE A 1 16 ? -24.244 30.569 -4.147 1.00 15.43 ? 97 PHE A CD1 1 ATOM 134 C CD2 . PHE A 1 16 ? -22.897 32.533 -3.946 1.00 15.33 ? 97 PHE A CD2 1 ATOM 135 C CE1 . PHE A 1 16 ? -24.760 31.039 -5.345 1.00 15.47 ? 97 PHE A CE1 1 ATOM 136 C CE2 . PHE A 1 16 ? -23.402 33.007 -5.145 1.00 15.54 ? 97 PHE A CE2 1 ATOM 137 C CZ . PHE A 1 16 ? -24.342 32.261 -5.842 1.00 15.47 ? 97 PHE A CZ 1 ATOM 138 N N . ALA A 1 17 ? -23.334 29.575 0.810 1.00 15.24 ? 98 ALA A N 1 ATOM 139 C CA . ALA A 1 17 ? -22.782 28.952 2.008 1.00 14.94 ? 98 ALA A CA 1 ATOM 140 C C . ALA A 1 17 ? -22.071 27.652 1.638 1.00 14.65 ? 98 ALA A C 1 ATOM 141 O O . ALA A 1 17 ? -22.447 26.988 0.657 1.00 14.08 ? 98 ALA A O 1 ATOM 142 C CB . ALA A 1 17 ? -23.883 28.689 3.023 1.00 15.20 ? 98 ALA A CB 1 ATOM 143 N N . PRO A 1 18 ? -21.035 27.284 2.415 1.00 14.51 ? 99 PRO A N 1 ATOM 144 C CA . PRO A 1 18 ? -20.279 26.056 2.139 1.00 14.48 ? 99 PRO A CA 1 ATOM 145 C C . PRO A 1 18 ? -21.160 24.818 2.201 1.00 14.34 ? 99 PRO A C 1 ATOM 146 O O . PRO A 1 18 ? -21.964 24.698 3.121 1.00 14.57 ? 99 PRO A O 1 ATOM 147 C CB . PRO A 1 18 ? -19.241 26.009 3.268 1.00 14.38 ? 99 PRO A CB 1 ATOM 148 C CG . PRO A 1 18 ? -19.147 27.390 3.785 1.00 14.68 ? 99 PRO A CG 1 ATOM 149 C CD . PRO A 1 18 ? -20.500 28.014 3.581 1.00 14.82 ? 99 PRO A CD 1 ATOM 150 N N . PHE A 1 19 ? -20.987 23.908 1.244 1.00 14.17 ? 100 PHE A N 1 ATOM 151 C CA . PHE A 1 19 ? -21.825 22.708 1.137 1.00 14.36 ? 100 PHE A CA 1 ATOM 152 C C . PHE A 1 19 ? -21.014 21.404 1.164 1.00 14.23 ? 100 PHE A C 1 ATOM 153 O O . PHE A 1 19 ? -21.360 20.481 1.900 1.00 14.57 ? 100 PHE A O 1 ATOM 154 C CB . PHE A 1 19 ? -22.684 22.800 -0.130 1.00 14.52 ? 100 PHE A CB 1 ATOM 155 C CG . PHE A 1 19 ? -23.765 21.746 -0.236 1.00 14.73 ? 100 PHE A CG 1 ATOM 156 C CD1 . PHE A 1 19 ? -24.622 21.480 0.825 1.00 15.14 ? 100 PHE A CD1 1 ATOM 157 C CD2 . PHE A 1 19 ? -23.959 21.063 -1.427 1.00 14.80 ? 100 PHE A CD2 1 ATOM 158 C CE1 . PHE A 1 19 ? -25.628 20.527 0.703 1.00 15.46 ? 100 PHE A CE1 1 ATOM 159 C CE2 . PHE A 1 19 ? -24.963 20.116 -1.554 1.00 15.03 ? 100 PHE A CE2 1 ATOM 160 C CZ . PHE A 1 19 ? -25.796 19.846 -0.486 1.00 15.17 ? 100 PHE A CZ 1 ATOM 161 N N . SER A 1 20 ? -19.943 21.319 0.378 1.00 13.96 ? 101 SER A N 1 ATOM 162 C CA . SER A 1 20 ? -19.166 20.073 0.287 1.00 13.81 ? 101 SER A CA 1 ATOM 163 C C . SER A 1 20 ? -17.736 20.319 -0.174 1.00 13.66 ? 101 SER A C 1 ATOM 164 O O . SER A 1 20 ? -17.446 21.315 -0.840 1.00 13.52 ? 101 SER A O 1 ATOM 165 C CB . SER A 1 20 ? -19.853 19.093 -0.676 1.00 13.73 ? 101 SER A CB 1 ATOM 166 O OG . SER A 1 20 ? -19.311 17.782 -0.580 1.00 13.63 ? 101 SER A OG 1 ATOM 167 N N . LYS A 1 21 ? -16.857 19.385 0.174 1.00 13.68 ? 102 LYS A N 1 ATOM 168 C CA . LYS A 1 21 ? -15.467 19.396 -0.276 1.00 13.85 ? 102 LYS A CA 1 ATOM 169 C C . LYS A 1 21 ? -14.962 17.960 -0.204 1.00 14.14 ? 102 LYS A C 1 ATOM 170 O O . LYS A 1 21 ? -15.265 17.259 0.764 1.00 14.07 ? 102 LYS A O 1 ATOM 171 C CB . LYS A 1 21 ? -14.633 20.301 0.628 1.00 13.94 ? 102 LYS A CB 1 ATOM 172 C CG . LYS A 1 21 ? -13.214 20.555 0.152 1.00 13.97 ? 102 LYS A CG 1 ATOM 173 C CD . LYS A 1 21 ? -12.491 21.462 1.129 1.00 14.21 ? 102 LYS A CD 1 ATOM 174 C CE . LYS A 1 21 ? -11.190 22.004 0.563 1.00 14.29 ? 102 LYS A CE 1 ATOM 175 N NZ . LYS A 1 21 ? -10.267 20.935 0.092 1.00 14.45 ? 102 LYS A NZ 1 ATOM 176 N N . ASP A 1 22 ? -14.214 17.504 -1.209 1.00 14.57 ? 103 ASP A N 1 ATOM 177 C CA . ASP A 1 22 ? -13.808 16.093 -1.211 1.00 14.93 ? 103 ASP A CA 1 ATOM 178 C C . ASP A 1 22 ? -12.339 15.790 -0.895 1.00 14.50 ? 103 ASP A C 1 ATOM 179 O O . ASP A 1 22 ? -12.018 14.642 -0.604 1.00 14.18 ? 103 ASP A O 1 ATOM 180 C CB . ASP A 1 22 ? -14.303 15.359 -2.473 1.00 15.65 ? 103 ASP A CB 1 ATOM 181 C CG . ASP A 1 22 ? -13.494 15.653 -3.706 1.00 16.17 ? 103 ASP A CG 1 ATOM 182 O OD1 . ASP A 1 22 ? -12.646 16.568 -3.687 1.00 16.61 ? 103 ASP A OD1 1 ATOM 183 O OD2 . ASP A 1 22 ? -13.724 14.943 -4.721 1.00 17.07 ? 103 ASP A OD2 1 ATOM 184 N N . ASN A 1 23 ? -11.462 16.798 -0.920 1.00 14.17 ? 104 ASN A N 1 ATOM 185 C CA . ASN A 1 23 ? -10.054 16.616 -0.506 1.00 14.10 ? 104 ASN A CA 1 ATOM 186 C C . ASN A 1 23 ? -9.323 15.507 -1.277 1.00 13.93 ? 104 ASN A C 1 ATOM 187 O O . ASN A 1 23 ? -8.400 14.866 -0.751 1.00 13.84 ? 104 ASN A O 1 ATOM 188 C CB . ASN A 1 23 ? -9.975 16.325 1.001 1.00 14.39 ? 104 ASN A CB 1 ATOM 189 C CG . ASN A 1 23 ? -10.439 17.493 1.847 1.00 14.68 ? 104 ASN A CG 1 ATOM 190 O OD1 . ASN A 1 23 ? -9.867 18.585 1.784 1.00 14.92 ? 104 ASN A OD1 1 ATOM 191 N ND2 . ASN A 1 23 ? -11.487 17.272 2.648 1.00 14.66 ? 104 ASN A ND2 1 ATOM 192 N N A SER A 1 24 ? -9.722 15.323 -2.535 0.62 13.65 ? 105 SER A N 1 ATOM 193 N N B SER A 1 24 ? -9.715 15.298 -2.529 0.38 13.73 ? 105 SER A N 1 ATOM 194 C CA A SER A 1 24 ? -9.278 14.195 -3.361 0.62 13.57 ? 105 SER A CA 1 ATOM 195 C CA B SER A 1 24 ? -9.257 14.139 -3.291 0.38 13.66 ? 105 SER A CA 1 ATOM 196 C C A SER A 1 24 ? -7.755 14.075 -3.455 0.62 13.60 ? 105 SER A C 1 ATOM 197 C C B SER A 1 24 ? -7.737 14.061 -3.449 0.38 13.65 ? 105 SER A C 1 ATOM 198 O O A SER A 1 24 ? -7.206 12.984 -3.325 0.62 13.36 ? 105 SER A O 1 ATOM 199 O O B SER A 1 24 ? -7.167 12.975 -3.361 0.38 13.53 ? 105 SER A O 1 ATOM 200 C CB A SER A 1 24 ? -9.877 14.326 -4.768 0.62 13.60 ? 105 SER A CB 1 ATOM 201 C CB B SER A 1 24 ? -9.920 14.124 -4.665 0.38 13.71 ? 105 SER A CB 1 ATOM 202 O OG A SER A 1 24 ? -9.670 13.150 -5.532 0.62 14.05 ? 105 SER A OG 1 ATOM 203 O OG B SER A 1 24 ? -9.377 15.122 -5.496 0.38 14.06 ? 105 SER A OG 1 ATOM 204 N N . ILE A 1 25 ? -7.082 15.200 -3.677 1.00 13.55 ? 106 ILE A N 1 ATOM 205 C CA . ILE A 1 25 ? -5.636 15.195 -3.925 1.00 13.58 ? 106 ILE A CA 1 ATOM 206 C C . ILE A 1 25 ? -4.878 14.913 -2.632 1.00 13.62 ? 106 ILE A C 1 ATOM 207 O O . ILE A 1 25 ? -3.962 14.091 -2.620 1.00 13.76 ? 106 ILE A O 1 ATOM 208 C CB . ILE A 1 25 ? -5.135 16.487 -4.609 1.00 13.73 ? 106 ILE A CB 1 ATOM 209 C CG1 . ILE A 1 25 ? -5.917 16.775 -5.895 1.00 13.69 ? 106 ILE A CG1 1 ATOM 210 C CG2 . ILE A 1 25 ? -3.652 16.375 -4.943 1.00 13.92 ? 106 ILE A CG2 1 ATOM 211 C CD1 . ILE A 1 25 ? -5.914 15.658 -6.919 1.00 13.80 ? 106 ILE A CD1 1 ATOM 212 N N . ARG A 1 26 ? -5.280 15.556 -1.539 1.00 13.32 ? 107 ARG A N 1 ATOM 213 C CA . ARG A 1 26 ? -4.685 15.264 -0.233 1.00 13.36 ? 107 ARG A CA 1 ATOM 214 C C . ARG A 1 26 ? -4.780 13.770 0.098 1.00 13.29 ? 107 ARG A C 1 ATOM 215 O O . ARG A 1 26 ? -3.822 13.155 0.562 1.00 13.10 ? 107 ARG A O 1 ATOM 216 C CB . ARG A 1 26 ? -5.377 16.093 0.852 1.00 13.36 ? 107 ARG A CB 1 ATOM 217 C CG . ARG A 1 26 ? -5.033 17.573 0.803 1.00 13.38 ? 107 ARG A CG 1 ATOM 218 C CD . ARG A 1 26 ? -5.880 18.405 1.749 1.00 13.46 ? 107 ARG A CD 1 ATOM 219 N NE . ARG A 1 26 ? -5.722 18.043 3.160 1.00 13.59 ? 107 ARG A NE 1 ATOM 220 C CZ . ARG A 1 26 ? -4.849 18.582 4.009 1.00 14.06 ? 107 ARG A CZ 1 ATOM 221 N NH1 . ARG A 1 26 ? -4.822 18.163 5.270 1.00 14.33 ? 107 ARG A NH1 1 ATOM 222 N NH2 . ARG A 1 26 ? -3.993 19.528 3.622 1.00 14.35 ? 107 ARG A NH2 1 ATOM 223 N N . LEU A 1 27 ? -5.952 13.188 -0.148 1.00 13.19 ? 108 LEU A N 1 ATOM 224 C CA . LEU A 1 27 ? -6.171 11.773 0.127 1.00 13.31 ? 108 LEU A CA 1 ATOM 225 C C . LEU A 1 27 ? -5.372 10.860 -0.799 1.00 13.48 ? 108 LEU A C 1 ATOM 226 O O . LEU A 1 27 ? -4.953 9.792 -0.380 1.00 13.34 ? 108 LEU A O 1 ATOM 227 C CB . LEU A 1 27 ? -7.655 11.431 -0.003 1.00 13.06 ? 108 LEU A CB 1 ATOM 228 C CG . LEU A 1 27 ? -8.580 12.091 1.013 1.00 13.07 ? 108 LEU A CG 1 ATOM 229 C CD1 . LEU A 1 27 ? -10.021 11.885 0.571 1.00 12.97 ? 108 LEU A CD1 1 ATOM 230 C CD2 . LEU A 1 27 ? -8.366 11.528 2.406 1.00 13.35 ? 108 LEU A CD2 1 ATOM 231 N N A SER A 1 28 ? -5.176 11.297 -2.049 0.68 13.56 ? 109 SER A N 1 ATOM 232 N N B SER A 1 28 ? -5.164 11.282 -2.045 0.32 13.66 ? 109 SER A N 1 ATOM 233 C CA A SER A 1 28 ? -4.442 10.522 -3.059 0.68 13.79 ? 109 SER A CA 1 ATOM 234 C CA B SER A 1 28 ? -4.458 10.458 -3.025 0.32 13.93 ? 109 SER A CA 1 ATOM 235 C C A SER A 1 28 ? -2.995 10.227 -2.664 0.68 14.33 ? 109 SER A C 1 ATOM 236 C C B SER A 1 28 ? -2.971 10.258 -2.706 0.32 14.36 ? 109 SER A C 1 ATOM 237 O O A SER A 1 28 ? -2.392 9.296 -3.197 0.68 14.53 ? 109 SER A O 1 ATOM 238 O O B SER A 1 28 ? -2.316 9.425 -3.332 0.32 14.52 ? 109 SER A O 1 ATOM 239 C CB A SER A 1 28 ? -4.428 11.250 -4.410 0.68 13.69 ? 109 SER A CB 1 ATOM 240 C CB B SER A 1 28 ? -4.610 11.056 -4.423 0.32 13.88 ? 109 SER A CB 1 ATOM 241 O OG A SER A 1 28 ? -5.728 11.416 -4.951 0.68 13.34 ? 109 SER A OG 1 ATOM 242 O OG B SER A 1 28 ? -3.958 12.308 -4.511 0.32 14.08 ? 109 SER A OG 1 ATOM 243 N N . ALA A 1 29 ? -2.443 11.025 -1.750 1.00 14.60 ? 110 ALA A N 1 ATOM 244 C CA . ALA A 1 29 ? -1.080 10.817 -1.246 1.00 15.12 ? 110 ALA A CA 1 ATOM 245 C C . ALA A 1 29 ? -1.019 9.732 -0.163 1.00 15.60 ? 110 ALA A C 1 ATOM 246 O O . ALA A 1 29 ? 0.069 9.390 0.317 1.00 15.94 ? 110 ALA A O 1 ATOM 247 C CB . ALA A 1 29 ? -0.511 12.126 -0.705 1.00 15.36 ? 110 ALA A CB 1 ATOM 248 N N . GLY A 1 30 ? -2.176 9.203 0.230 1.00 15.37 ? 111 GLY A N 1 ATOM 249 C CA . GLY A 1 30 ? -2.247 8.154 1.245 1.00 15.67 ? 111 GLY A CA 1 ATOM 250 C C . GLY A 1 30 ? -3.484 7.299 1.047 1.00 15.57 ? 111 GLY A C 1 ATOM 251 O O . GLY A 1 30 ? -4.277 7.089 1.968 1.00 15.75 ? 111 GLY A O 1 ATOM 252 N N . GLY A 1 31 ? -3.644 6.805 -0.168 1.00 15.46 ? 112 GLY A N 1 ATOM 253 C CA . GLY A 1 31 ? -4.819 6.044 -0.530 1.00 15.40 ? 112 GLY A CA 1 ATOM 254 C C . GLY A 1 31 ? -4.946 5.923 -2.031 1.00 15.35 ? 112 GLY A C 1 ATOM 255 O O . GLY A 1 31 ? -4.317 6.672 -2.774 1.00 15.45 ? 112 GLY A O 1 ATOM 256 N N . ASP A 1 32 ? -5.774 4.982 -2.470 1.00 15.22 ? 113 ASP A N 1 ATOM 257 C CA . ASP A 1 32 ? -5.982 4.743 -3.893 1.00 15.08 ? 113 ASP A CA 1 ATOM 258 C C . ASP A 1 32 ? -7.195 5.535 -4.366 1.00 14.74 ? 113 ASP A C 1 ATOM 259 O O . ASP A 1 32 ? -8.339 5.160 -4.096 1.00 14.80 ? 113 ASP A O 1 ATOM 260 C CB . ASP A 1 32 ? -6.149 3.251 -4.145 1.00 15.34 ? 113 ASP A CB 1 ATOM 261 C CG . ASP A 1 32 ? -4.971 2.445 -3.620 1.00 15.82 ? 113 ASP A CG 1 ATOM 262 O OD1 . ASP A 1 32 ? -3.804 2.832 -3.875 1.00 16.16 ? 113 ASP A OD1 1 ATOM 263 O OD2 . ASP A 1 32 ? -5.215 1.440 -2.928 1.00 16.31 ? 113 ASP A OD2 1 ATOM 264 N N . ILE A 1 33 ? -6.925 6.628 -5.075 1.00 14.29 ? 114 ILE A N 1 ATOM 265 C CA . ILE A 1 33 ? -7.942 7.586 -5.486 1.00 14.04 ? 114 ILE A CA 1 ATOM 266 C C . ILE A 1 33 ? -7.808 7.839 -6.989 1.00 13.64 ? 114 ILE A C 1 ATOM 267 O O . ILE A 1 33 ? -6.702 7.989 -7.501 1.00 13.72 ? 114 ILE A O 1 ATOM 268 C CB . ILE A 1 33 ? -7.792 8.908 -4.699 1.00 14.18 ? 114 ILE A CB 1 ATOM 269 C CG1 . ILE A 1 33 ? -8.007 8.680 -3.186 1.00 14.39 ? 114 ILE A CG1 1 ATOM 270 C CG2 . ILE A 1 33 ? -8.742 9.981 -5.220 1.00 14.14 ? 114 ILE A CG2 1 ATOM 271 C CD1 . ILE A 1 33 ? -9.444 8.376 -2.783 1.00 14.49 ? 114 ILE A CD1 1 ATOM 272 N N . TRP A 1 34 ? -8.945 7.869 -7.680 1.00 13.29 ? 115 TRP A N 1 ATOM 273 C CA . TRP A 1 34 ? -8.994 8.099 -9.126 1.00 13.05 ? 115 TRP A CA 1 ATOM 274 C C . TRP A 1 34 ? -8.369 9.428 -9.538 1.00 13.08 ? 115 TRP A C 1 ATOM 275 O O . TRP A 1 34 ? -8.563 10.453 -8.874 1.00 13.03 ? 115 TRP A O 1 ATOM 276 C CB . TRP A 1 34 ? -10.447 8.096 -9.619 1.00 12.83 ? 115 TRP A CB 1 ATOM 277 C CG . TRP A 1 34 ? -11.030 6.740 -9.811 1.00 12.68 ? 115 TRP A CG 1 ATOM 278 C CD1 . TRP A 1 34 ? -11.624 5.952 -8.867 1.00 12.70 ? 115 TRP A CD1 1 ATOM 279 C CD2 . TRP A 1 34 ? -11.082 6.005 -11.036 1.00 12.72 ? 115 TRP A CD2 1 ATOM 280 N NE1 . TRP A 1 34 ? -12.042 4.770 -9.433 1.00 12.76 ? 115 TRP A NE1 1 ATOM 281 C CE2 . TRP A 1 34 ? -11.718 4.780 -10.764 1.00 12.58 ? 115 TRP A CE2 1 ATOM 282 C CE3 . TRP A 1 34 ? -10.644 6.263 -12.340 1.00 12.82 ? 115 TRP A CE3 1 ATOM 283 C CZ2 . TRP A 1 34 ? -11.926 3.818 -11.745 1.00 12.65 ? 115 TRP A CZ2 1 ATOM 284 C CZ3 . TRP A 1 34 ? -10.869 5.310 -13.313 1.00 12.58 ? 115 TRP A CZ3 1 ATOM 285 C CH2 . TRP A 1 34 ? -11.497 4.106 -13.011 1.00 12.59 ? 115 TRP A CH2 1 ATOM 286 N N . VAL A 1 35 ? -7.631 9.400 -10.644 1.00 13.20 ? 116 VAL A N 1 ATOM 287 C CA . VAL A 1 35 ? -7.262 10.615 -11.361 1.00 13.17 ? 116 VAL A CA 1 ATOM 288 C C . VAL A 1 35 ? -8.480 11.058 -12.172 1.00 13.26 ? 116 VAL A C 1 ATOM 289 O O . VAL A 1 35 ? -9.074 10.255 -12.904 1.00 13.08 ? 116 VAL A O 1 ATOM 290 C CB . VAL A 1 35 ? -6.069 10.383 -12.306 1.00 13.21 ? 116 VAL A CB 1 ATOM 291 C CG1 . VAL A 1 35 ? -5.826 11.604 -13.183 1.00 13.19 ? 116 VAL A CG1 1 ATOM 292 C CG2 . VAL A 1 35 ? -4.829 10.051 -11.502 1.00 13.39 ? 116 VAL A CG2 1 ATOM 293 N N . THR A 1 36 ? -8.852 12.329 -12.025 1.00 13.63 ? 117 THR A N 1 ATOM 294 C CA . THR A 1 36 ? -10.043 12.880 -12.673 1.00 13.76 ? 117 THR A CA 1 ATOM 295 C C . THR A 1 36 ? -9.785 14.276 -13.244 1.00 13.92 ? 117 THR A C 1 ATOM 296 O O . THR A 1 36 ? -8.754 14.896 -12.976 1.00 14.27 ? 117 THR A O 1 ATOM 297 C CB . THR A 1 36 ? -11.229 12.989 -11.684 1.00 14.02 ? 117 THR A CB 1 ATOM 298 O OG1 . THR A 1 36 ? -10.865 13.840 -10.590 1.00 14.28 ? 117 THR A OG1 1 ATOM 299 C CG2 . THR A 1 36 ? -11.637 11.622 -11.143 1.00 14.16 ? 117 THR A CG2 1 ATOM 300 N N . ARG A 1 37 ? -10.732 14.741 -14.050 1.00 13.84 ? 118 ARG A N 1 ATOM 301 C CA . ARG A 1 37 ? -10.927 16.163 -14.344 1.00 13.71 ? 118 ARG A CA 1 ATOM 302 C C . ARG A 1 37 ? -12.371 16.325 -14.827 1.00 13.67 ? 118 ARG A C 1 ATOM 303 O O . ARG A 1 37 ? -13.114 15.336 -14.925 1.00 13.36 ? 118 ARG A O 1 ATOM 304 C CB . ARG A 1 37 ? -9.903 16.718 -15.354 1.00 13.90 ? 118 ARG A CB 1 ATOM 305 C CG . ARG A 1 37 ? -8.728 17.483 -14.724 1.00 14.11 ? 118 ARG A CG 1 ATOM 306 C CD . ARG A 1 37 ? -8.235 18.626 -15.617 1.00 14.28 ? 118 ARG A CD 1 ATOM 307 N NE . ARG A 1 37 ? -9.270 19.656 -15.742 1.00 14.33 ? 118 ARG A NE 1 ATOM 308 C CZ . ARG A 1 37 ? -9.444 20.476 -16.778 1.00 14.72 ? 118 ARG A CZ 1 ATOM 309 N NH1 . ARG A 1 37 ? -8.659 20.427 -17.851 1.00 14.77 ? 118 ARG A NH1 1 ATOM 310 N NH2 . ARG A 1 37 ? -10.454 21.351 -16.744 1.00 15.12 ? 118 ARG A NH2 1 ATOM 311 N N . GLU A 1 38 ? -12.775 17.565 -15.085 1.00 13.70 ? 119 GLU A N 1 ATOM 312 C CA . GLU A 1 38 ? -14.135 17.880 -15.530 1.00 13.69 ? 119 GLU A CA 1 ATOM 313 C C . GLU A 1 38 ? -15.210 17.316 -14.593 1.00 13.39 ? 119 GLU A C 1 ATOM 314 O O . GLU A 1 38 ? -16.118 16.599 -15.029 1.00 13.41 ? 119 GLU A O 1 ATOM 315 C CB . GLU A 1 38 ? -14.346 17.397 -16.973 1.00 14.17 ? 119 GLU A CB 1 ATOM 316 C CG . GLU A 1 38 ? -13.419 18.058 -17.991 1.00 14.65 ? 119 GLU A CG 1 ATOM 317 C CD . GLU A 1 38 ? -12.064 17.368 -18.139 1.00 15.30 ? 119 GLU A CD 1 ATOM 318 O OE1 . GLU A 1 38 ? -11.948 16.169 -17.802 1.00 15.24 ? 119 GLU A OE1 1 ATOM 319 O OE2 . GLU A 1 38 ? -11.103 18.033 -18.604 1.00 16.21 ? 119 GLU A OE2 1 ATOM 320 N N . PRO A 1 39 ? -15.123 17.651 -13.295 1.00 13.09 ? 120 PRO A N 1 ATOM 321 C CA . PRO A 1 39 ? -16.141 17.201 -12.357 1.00 12.88 ? 120 PRO A CA 1 ATOM 322 C C . PRO A 1 39 ? -17.412 18.018 -12.465 1.00 12.89 ? 120 PRO A C 1 ATOM 323 O O . PRO A 1 39 ? -17.396 19.113 -13.020 1.00 12.88 ? 120 PRO A O 1 ATOM 324 C CB . PRO A 1 39 ? -15.495 17.485 -11.002 1.00 13.02 ? 120 PRO A CB 1 ATOM 325 C CG . PRO A 1 39 ? -14.734 18.750 -11.260 1.00 13.08 ? 120 PRO A CG 1 ATOM 326 C CD . PRO A 1 39 ? -14.161 18.562 -12.645 1.00 13.15 ? 120 PRO A CD 1 ATOM 327 N N . TYR A 1 40 ? -18.499 17.483 -11.925 1.00 12.59 ? 121 TYR A N 1 ATOM 328 C CA . TYR A 1 40 ? -19.693 18.267 -11.681 1.00 12.59 ? 121 TYR A CA 1 ATOM 329 C C . TYR A 1 40 ? -20.571 17.635 -10.608 1.00 12.91 ? 121 TYR A C 1 ATOM 330 O O . TYR A 1 40 ? -20.232 16.592 -10.055 1.00 12.67 ? 121 TYR A O 1 ATOM 331 C CB . TYR A 1 40 ? -20.475 18.467 -12.984 1.00 12.57 ? 121 TYR A CB 1 ATOM 332 C CG . TYR A 1 40 ? -20.840 17.224 -13.768 1.00 12.50 ? 121 TYR A CG 1 ATOM 333 C CD1 . TYR A 1 40 ? -19.939 16.648 -14.667 1.00 12.47 ? 121 TYR A CD1 1 ATOM 334 C CD2 . TYR A 1 40 ? -22.122 16.670 -13.683 1.00 12.50 ? 121 TYR A CD2 1 ATOM 335 C CE1 . TYR A 1 40 ? -20.293 15.543 -15.423 1.00 12.48 ? 121 TYR A CE1 1 ATOM 336 C CE2 . TYR A 1 40 ? -22.479 15.555 -14.435 1.00 12.47 ? 121 TYR A CE2 1 ATOM 337 C CZ . TYR A 1 40 ? -21.568 14.997 -15.308 1.00 12.59 ? 121 TYR A CZ 1 ATOM 338 O OH . TYR A 1 40 ? -21.924 13.893 -16.068 1.00 12.84 ? 121 TYR A OH 1 ATOM 339 N N . VAL A 1 41 ? -21.695 18.292 -10.309 1.00 13.24 ? 122 VAL A N 1 ATOM 340 C CA . VAL A 1 41 ? -22.624 17.816 -9.306 1.00 13.41 ? 122 VAL A CA 1 ATOM 341 C C . VAL A 1 41 ? -24.024 17.840 -9.892 1.00 13.66 ? 122 VAL A C 1 ATOM 342 O O . VAL A 1 41 ? -24.374 18.754 -10.640 1.00 13.56 ? 122 VAL A O 1 ATOM 343 C CB . VAL A 1 41 ? -22.574 18.695 -8.034 1.00 13.68 ? 122 VAL A CB 1 ATOM 344 C CG1 . VAL A 1 41 ? -23.576 18.216 -6.991 1.00 13.86 ? 122 VAL A CG1 1 ATOM 345 C CG2 . VAL A 1 41 ? -21.170 18.696 -7.450 1.00 13.57 ? 122 VAL A CG2 1 ATOM 346 N N . SER A 1 42 ? -24.804 16.816 -9.569 1.00 13.91 ? 123 SER A N 1 ATOM 347 C CA . SER A 1 42 ? -26.219 16.779 -9.912 1.00 14.28 ? 123 SER A CA 1 ATOM 348 C C . SER A 1 42 ? -26.941 15.967 -8.857 1.00 14.91 ? 123 SER A C 1 ATOM 349 O O . SER A 1 42 ? -26.382 15.012 -8.311 1.00 14.68 ? 123 SER A O 1 ATOM 350 C CB . SER A 1 42 ? -26.432 16.167 -11.294 1.00 14.17 ? 123 SER A CB 1 ATOM 351 O OG . SER A 1 42 ? -27.776 16.353 -11.728 1.00 14.04 ? 123 SER A OG 1 ATOM 352 N N . CYS A 1 43 ? -28.181 16.341 -8.564 1.00 15.70 ? 124 CYS A N 1 ATOM 353 C CA . CYS A 1 43 ? -28.918 15.699 -7.487 1.00 16.67 ? 124 CYS A CA 1 ATOM 354 C C . CYS A 1 43 ? -30.204 15.087 -8.023 1.00 17.38 ? 124 CYS A C 1 ATOM 355 O O . CYS A 1 43 ? -30.854 15.668 -8.892 1.00 17.40 ? 124 CYS A O 1 ATOM 356 C CB . CYS A 1 43 ? -29.216 16.711 -6.366 1.00 17.26 ? 124 CYS A CB 1 ATOM 357 S SG . CYS A 1 43 ? -27.844 17.848 -5.985 1.00 17.69 ? 124 CYS A SG 1 ATOM 358 N N . ASP A 1 44 ? -30.548 13.905 -7.520 1.00 17.83 ? 125 ASP A N 1 ATOM 359 C CA . ASP A 1 44 ? -31.899 13.360 -7.688 1.00 19.05 ? 125 ASP A CA 1 ATOM 360 C C . ASP A 1 44 ? -32.781 14.043 -6.640 1.00 19.10 ? 125 ASP A C 1 ATOM 361 O O . ASP A 1 44 ? -32.298 14.889 -5.890 1.00 18.72 ? 125 ASP A O 1 ATOM 362 C CB . ASP A 1 44 ? -31.914 11.817 -7.598 1.00 19.66 ? 125 ASP A CB 1 ATOM 363 C CG . ASP A 1 44 ? -31.655 11.276 -6.191 1.00 20.40 ? 125 ASP A CG 1 ATOM 364 O OD1 . ASP A 1 44 ? -32.038 11.894 -5.184 1.00 20.75 ? 125 ASP A OD1 1 ATOM 365 O OD2 . ASP A 1 44 ? -31.069 10.181 -6.092 1.00 22.02 ? 125 ASP A OD2 1 ATOM 366 N N . PRO A 1 45 ? -34.078 13.707 -6.595 1.00 20.05 ? 126 PRO A N 1 ATOM 367 C CA . PRO A 1 45 ? -34.952 14.443 -5.672 1.00 20.61 ? 126 PRO A CA 1 ATOM 368 C C . PRO A 1 45 ? -34.591 14.333 -4.181 1.00 21.25 ? 126 PRO A C 1 ATOM 369 O O . PRO A 1 45 ? -35.009 15.191 -3.394 1.00 21.78 ? 126 PRO A O 1 ATOM 370 C CB . PRO A 1 45 ? -36.332 13.842 -5.955 1.00 21.02 ? 126 PRO A CB 1 ATOM 371 C CG . PRO A 1 45 ? -36.258 13.425 -7.383 1.00 20.93 ? 126 PRO A CG 1 ATOM 372 C CD . PRO A 1 45 ? -34.853 12.907 -7.560 1.00 20.24 ? 126 PRO A CD 1 ATOM 373 N N . GLY A 1 46 ? -33.823 13.309 -3.803 1.00 21.55 ? 127 GLY A N 1 ATOM 374 C CA . GLY A 1 46 ? -33.430 13.090 -2.406 1.00 22.44 ? 127 GLY A CA 1 ATOM 375 C C . GLY A 1 46 ? -32.003 13.497 -2.060 1.00 22.94 ? 127 GLY A C 1 ATOM 376 O O . GLY A 1 46 ? -31.752 14.061 -0.984 1.00 23.84 ? 127 GLY A O 1 ATOM 377 N N . LYS A 1 47 ? -31.055 13.223 -2.955 1.00 22.88 ? 128 LYS A N 1 ATOM 378 C CA . LYS A 1 47 ? -29.650 13.496 -2.646 1.00 22.70 ? 128 LYS A CA 1 ATOM 379 C C . LYS A 1 47 ? -28.773 13.819 -3.849 1.00 20.68 ? 128 LYS A C 1 ATOM 380 O O . LYS A 1 47 ? -29.134 13.559 -5.002 1.00 19.41 ? 128 LYS A O 1 ATOM 381 C CB . LYS A 1 47 ? -29.061 12.319 -1.877 1.00 24.76 ? 128 LYS A CB 1 ATOM 382 C CG . LYS A 1 47 ? -29.050 11.006 -2.642 1.00 26.26 ? 128 LYS A CG 1 ATOM 383 C CD . LYS A 1 47 ? -29.514 9.851 -1.761 1.00 28.88 ? 128 LYS A CD 1 ATOM 384 C CE . LYS A 1 47 ? -28.626 9.627 -0.550 1.00 30.25 ? 128 LYS A CE 1 ATOM 385 N NZ . LYS A 1 47 ? -29.409 9.127 0.620 1.00 32.04 ? 128 LYS A NZ 1 ATOM 386 N N . CYS A 1 48 ? -27.613 14.391 -3.534 1.00 19.10 ? 129 CYS A N 1 ATOM 387 C CA . CYS A 1 48 ? -26.672 14.894 -4.521 1.00 17.97 ? 129 CYS A CA 1 ATOM 388 C C . CYS A 1 48 ? -25.522 13.923 -4.770 1.00 16.98 ? 129 CYS A C 1 ATOM 389 O O . CYS A 1 48 ? -25.109 13.182 -3.876 1.00 16.50 ? 129 CYS A O 1 ATOM 390 C CB . CYS A 1 48 ? -26.116 16.249 -4.081 1.00 18.12 ? 129 CYS A CB 1 ATOM 391 S SG . CYS A 1 48 ? -27.391 17.538 -4.016 1.00 18.65 ? 129 CYS A SG 1 ATOM 392 N N . TYR A 1 49 ? -25.021 13.958 -6.000 1.00 16.07 ? 130 TYR A N 1 ATOM 393 C CA . TYR A 1 49 ? -23.927 13.115 -6.448 1.00 15.75 ? 130 TYR A CA 1 ATOM 394 C C . TYR A 1 49 ? -22.822 13.952 -7.061 1.00 14.85 ? 130 TYR A C 1 ATOM 395 O O . TYR A 1 49 ? -23.084 14.955 -7.730 1.00 14.65 ? 130 TYR A O 1 ATOM 396 C CB . TYR A 1 49 ? -24.443 12.119 -7.486 1.00 16.36 ? 130 TYR A CB 1 ATOM 397 C CG . TYR A 1 49 ? -25.378 11.100 -6.900 1.00 17.28 ? 130 TYR A CG 1 ATOM 398 C CD1 . TYR A 1 49 ? -26.728 11.383 -6.734 1.00 18.05 ? 130 TYR A CD1 1 ATOM 399 C CD2 . TYR A 1 49 ? -24.907 9.859 -6.482 1.00 17.88 ? 130 TYR A CD2 1 ATOM 400 C CE1 . TYR A 1 49 ? -27.590 10.449 -6.180 1.00 18.91 ? 130 TYR A CE1 1 ATOM 401 C CE2 . TYR A 1 49 ? -25.757 8.921 -5.930 1.00 18.61 ? 130 TYR A CE2 1 ATOM 402 C CZ . TYR A 1 49 ? -27.096 9.221 -5.782 1.00 19.12 ? 130 TYR A CZ 1 ATOM 403 O OH . TYR A 1 49 ? -27.938 8.283 -5.225 1.00 21.05 ? 130 TYR A OH 1 ATOM 404 N N . GLN A 1 50 ? -21.578 13.547 -6.833 1.00 14.27 ? 131 GLN A N 1 ATOM 405 C CA . GLN A 1 50 ? -20.479 14.117 -7.577 1.00 13.82 ? 131 GLN A CA 1 ATOM 406 C C . GLN A 1 50 ? -20.100 13.196 -8.731 1.00 13.57 ? 131 GLN A C 1 ATOM 407 O O . GLN A 1 50 ? -20.110 11.960 -8.598 1.00 13.61 ? 131 GLN A O 1 ATOM 408 C CB . GLN A 1 50 ? -19.274 14.436 -6.690 1.00 13.93 ? 131 GLN A CB 1 ATOM 409 C CG . GLN A 1 50 ? -18.649 13.281 -5.929 1.00 14.12 ? 131 GLN A CG 1 ATOM 410 C CD . GLN A 1 50 ? -17.542 13.788 -5.028 1.00 14.47 ? 131 GLN A CD 1 ATOM 411 O OE1 . GLN A 1 50 ? -17.805 14.386 -3.982 1.00 14.59 ? 131 GLN A OE1 1 ATOM 412 N NE2 . GLN A 1 50 ? -16.296 13.587 -5.446 1.00 14.85 ? 131 GLN A NE2 1 ATOM 413 N N . PHE A 1 51 ? -19.795 13.828 -9.859 1.00 13.06 ? 132 PHE A N 1 ATOM 414 C CA . PHE A 1 51 ? -19.373 13.169 -11.085 1.00 12.90 ? 132 PHE A CA 1 ATOM 415 C C . PHE A 1 51 ? -18.004 13.703 -11.478 1.00 12.57 ? 132 PHE A C 1 ATOM 416 O O . PHE A 1 51 ? -17.648 14.815 -11.118 1.00 12.35 ? 132 PHE A O 1 ATOM 417 C CB . PHE A 1 51 ? -20.334 13.506 -12.224 1.00 13.01 ? 132 PHE A CB 1 ATOM 418 C CG . PHE A 1 51 ? -21.733 13.009 -12.020 1.00 13.22 ? 132 PHE A CG 1 ATOM 419 C CD1 . PHE A 1 51 ? -22.633 13.725 -11.246 1.00 13.27 ? 132 PHE A CD1 1 ATOM 420 C CD2 . PHE A 1 51 ? -22.161 11.840 -12.633 1.00 13.44 ? 132 PHE A CD2 1 ATOM 421 C CE1 . PHE A 1 51 ? -23.931 13.279 -11.070 1.00 13.62 ? 132 PHE A CE1 1 ATOM 422 C CE2 . PHE A 1 51 ? -23.460 11.388 -12.463 1.00 13.59 ? 132 PHE A CE2 1 ATOM 423 C CZ . PHE A 1 51 ? -24.345 12.109 -11.683 1.00 13.74 ? 132 PHE A CZ 1 ATOM 424 N N . ALA A 1 52 ? -17.243 12.910 -12.224 1.00 12.54 ? 133 ALA A N 1 ATOM 425 C CA . ALA A 1 52 ? -16.047 13.405 -12.892 1.00 12.71 ? 133 ALA A CA 1 ATOM 426 C C . ALA A 1 52 ? -15.631 12.422 -13.970 1.00 12.68 ? 133 ALA A C 1 ATOM 427 O O . ALA A 1 52 ? -16.102 11.277 -13.992 1.00 12.79 ? 133 ALA A O 1 ATOM 428 C CB . ALA A 1 52 ? -14.904 13.625 -11.902 1.00 12.82 ? 133 ALA A CB 1 ATOM 429 N N . LEU A 1 53 ? -14.767 12.875 -14.869 1.00 12.48 ? 134 LEU A N 1 ATOM 430 C CA . LEU A 1 53 ? -14.225 12.002 -15.896 1.00 12.52 ? 134 LEU A CA 1 ATOM 431 C C . LEU A 1 53 ? -12.930 11.410 -15.384 1.00 12.47 ? 134 LEU A C 1 ATOM 432 O O . LEU A 1 53 ? -11.949 12.123 -15.189 1.00 12.25 ? 134 LEU A O 1 ATOM 433 C CB . LEU A 1 53 ? -13.974 12.767 -17.200 1.00 12.56 ? 134 LEU A CB 1 ATOM 434 C CG . LEU A 1 53 ? -15.231 13.392 -17.807 1.00 12.73 ? 134 LEU A CG 1 ATOM 435 C CD1 . LEU A 1 53 ? -14.871 14.181 -19.056 1.00 12.92 ? 134 LEU A CD1 1 ATOM 436 C CD2 . LEU A 1 53 ? -16.266 12.313 -18.103 1.00 12.80 ? 134 LEU A CD2 1 ATOM 437 N N . GLY A 1 54 ? -12.940 10.106 -15.144 1.00 12.40 ? 135 GLY A N 1 ATOM 438 C CA . GLY A 1 54 ? -11.731 9.409 -14.752 1.00 12.33 ? 135 GLY A CA 1 ATOM 439 C C . GLY A 1 54 ? -10.734 9.388 -15.894 1.00 12.50 ? 135 GLY A C 1 ATOM 440 O O . GLY A 1 54 ? -11.088 9.632 -17.059 1.00 12.34 ? 135 GLY A O 1 ATOM 441 N N . GLN A 1 55 ? -9.488 9.089 -15.553 1.00 12.63 ? 136 GLN A N 1 ATOM 442 C CA . GLN A 1 55 ? -8.435 8.859 -16.543 1.00 12.91 ? 136 GLN A CA 1 ATOM 443 C C . GLN A 1 55 ? -7.984 7.393 -16.562 1.00 12.89 ? 136 GLN A C 1 ATOM 444 O O . GLN A 1 55 ? -6.853 7.071 -16.957 1.00 13.43 ? 136 GLN A O 1 ATOM 445 C CB . GLN A 1 55 ? -7.259 9.794 -16.248 1.00 13.17 ? 136 GLN A CB 1 ATOM 446 C CG . GLN A 1 55 ? -7.556 11.263 -16.521 1.00 13.19 ? 136 GLN A CG 1 ATOM 447 C CD . GLN A 1 55 ? -7.436 11.638 -17.985 1.00 13.38 ? 136 GLN A CD 1 ATOM 448 O OE1 . GLN A 1 55 ? -7.440 10.774 -18.871 1.00 13.68 ? 136 GLN A OE1 1 ATOM 449 N NE2 . GLN A 1 55 ? -7.323 12.939 -18.251 1.00 13.49 ? 136 GLN A NE2 1 ATOM 450 N N . GLY A 1 56 ? -8.865 6.496 -16.128 1.00 12.69 ? 137 GLY A N 1 ATOM 451 C CA . GLY A 1 56 ? -8.592 5.058 -16.174 1.00 12.74 ? 137 GLY A CA 1 ATOM 452 C C . GLY A 1 56 ? -7.465 4.614 -15.256 1.00 12.65 ? 137 GLY A C 1 ATOM 453 O O . GLY A 1 56 ? -6.839 3.591 -15.495 1.00 12.84 ? 137 GLY A O 1 ATOM 454 N N . THR A 1 57 ? -7.213 5.380 -14.199 1.00 12.58 ? 138 THR A N 1 ATOM 455 C CA . THR A 1 57 ? -6.098 5.106 -13.304 1.00 12.64 ? 138 THR A CA 1 ATOM 456 C C . THR A 1 57 ? -6.282 5.844 -11.987 1.00 12.74 ? 138 THR A C 1 ATOM 457 O O . THR A 1 57 ? -7.000 6.851 -11.919 1.00 12.64 ? 138 THR A O 1 ATOM 458 C CB . THR A 1 57 ? -4.750 5.558 -13.922 1.00 12.68 ? 138 THR A CB 1 ATOM 459 O OG1 . THR A 1 57 ? -3.676 5.261 -13.013 1.00 12.84 ? 138 THR A OG1 1 ATOM 460 C CG2 . THR A 1 57 ? -4.748 7.057 -14.213 1.00 12.62 ? 138 THR A CG2 1 ATOM 461 N N . THR A 1 58 ? -5.642 5.321 -10.947 1.00 12.71 ? 139 THR A N 1 ATOM 462 C CA . THR A 1 58 ? -5.507 6.037 -9.691 1.00 13.05 ? 139 THR A CA 1 ATOM 463 C C . THR A 1 58 ? -4.281 6.954 -9.798 1.00 13.33 ? 139 THR A C 1 ATOM 464 O O . THR A 1 58 ? -3.526 6.864 -10.772 1.00 13.29 ? 139 THR A O 1 ATOM 465 C CB . THR A 1 58 ? -5.367 5.068 -8.507 1.00 13.26 ? 139 THR A CB 1 ATOM 466 O OG1 . THR A 1 58 ? -4.363 4.087 -8.794 1.00 13.75 ? 139 THR A OG1 1 ATOM 467 C CG2 . THR A 1 58 ? -6.693 4.370 -8.243 1.00 13.25 ? 139 THR A CG2 1 ATOM 468 N N . LEU A 1 59 ? -4.091 7.828 -8.813 1.00 13.47 ? 140 LEU A N 1 ATOM 469 C CA . LEU A 1 59 ? -3.017 8.824 -8.858 1.00 13.88 ? 140 LEU A CA 1 ATOM 470 C C . LEU A 1 59 ? -1.659 8.215 -8.508 1.00 14.37 ? 140 LEU A C 1 ATOM 471 O O . LEU A 1 59 ? -0.671 8.443 -9.216 1.00 14.16 ? 140 LEU A O 1 ATOM 472 C CB . LEU A 1 59 ? -3.342 9.997 -7.930 1.00 13.83 ? 140 LEU A CB 1 ATOM 473 C CG . LEU A 1 59 ? -2.383 11.195 -7.981 1.00 14.04 ? 140 LEU A CG 1 ATOM 474 C CD1 . LEU A 1 59 ? -3.139 12.497 -7.730 1.00 14.13 ? 140 LEU A CD1 1 ATOM 475 C CD2 . LEU A 1 59 ? -1.209 11.024 -7.014 1.00 14.45 ? 140 LEU A CD2 1 ATOM 476 N N . ASP A 1 60 ? -1.611 7.447 -7.422 1.00 14.91 ? 141 ASP A N 1 ATOM 477 C CA . ASP A 1 60 ? -0.386 6.744 -7.029 1.00 15.77 ? 141 ASP A CA 1 ATOM 478 C C . ASP A 1 60 ? -0.295 5.443 -7.830 1.00 15.80 ? 141 ASP A C 1 ATOM 479 O O . ASP A 1 60 ? -0.600 4.359 -7.332 1.00 16.10 ? 141 ASP A O 1 ATOM 480 C CB . ASP A 1 60 ? -0.387 6.490 -5.518 1.00 16.42 ? 141 ASP A CB 1 ATOM 481 C CG . ASP A 1 60 ? 0.992 6.152 -4.964 1.00 17.55 ? 141 ASP A CG 1 ATOM 482 O OD1 . ASP A 1 60 ? 1.946 5.946 -5.746 1.00 17.77 ? 141 ASP A OD1 1 ATOM 483 O OD2 . ASP A 1 60 ? 1.109 6.096 -3.721 1.00 18.55 ? 141 ASP A OD2 1 ATOM 484 N N . ASN A 1 61 ? 0.157 5.581 -9.072 1.00 15.61 ? 142 ASN A N 1 ATOM 485 C CA . ASN A 1 61 ? 0.034 4.559 -10.115 1.00 15.50 ? 142 ASN A CA 1 ATOM 486 C C . ASN A 1 61 ? 0.817 5.113 -11.294 1.00 15.64 ? 142 ASN A C 1 ATOM 487 O O . ASN A 1 61 ? 0.621 6.271 -11.662 1.00 15.06 ? 142 ASN A O 1 ATOM 488 C CB . ASN A 1 61 ? -1.447 4.419 -10.497 1.00 14.94 ? 142 ASN A CB 1 ATOM 489 C CG . ASN A 1 61 ? -1.738 3.272 -11.454 1.00 14.94 ? 142 ASN A CG 1 ATOM 490 O OD1 . ASN A 1 61 ? -1.007 3.011 -12.412 1.00 15.27 ? 142 ASN A OD1 1 ATOM 491 N ND2 . ASN A 1 61 ? -2.854 2.601 -11.216 1.00 14.75 ? 142 ASN A ND2 1 ATOM 492 N N . LYS A 1 62 ? 1.703 4.312 -11.885 1.00 16.16 ? 143 LYS A N 1 ATOM 493 C CA . LYS A 1 62 ? 2.507 4.804 -13.013 1.00 16.54 ? 143 LYS A CA 1 ATOM 494 C C . LYS A 1 62 ? 1.653 5.246 -14.208 1.00 16.02 ? 143 LYS A C 1 ATOM 495 O O . LYS A 1 62 ? 2.096 6.063 -15.016 1.00 15.91 ? 143 LYS A O 1 ATOM 496 C CB . LYS A 1 62 ? 3.551 3.771 -13.439 1.00 17.35 ? 143 LYS A CB 1 ATOM 497 C CG . LYS A 1 62 ? 4.676 3.626 -12.428 1.00 18.42 ? 143 LYS A CG 1 ATOM 498 C CD . LYS A 1 62 ? 5.662 2.547 -12.832 1.00 19.69 ? 143 LYS A CD 1 ATOM 499 C CE . LYS A 1 62 ? 6.812 2.483 -11.844 1.00 20.99 ? 143 LYS A CE 1 ATOM 500 N NZ . LYS A 1 62 ? 7.824 1.485 -12.269 1.00 22.38 ? 143 LYS A NZ 1 ATOM 501 N N . HIS A 1 63 ? 0.424 4.730 -14.312 1.00 15.45 ? 144 HIS A N 1 ATOM 502 C CA . HIS A 1 63 ? -0.483 5.142 -15.386 1.00 15.23 ? 144 HIS A CA 1 ATOM 503 C C . HIS A 1 63 ? -0.993 6.570 -15.244 1.00 15.50 ? 144 HIS A C 1 ATOM 504 O O . HIS A 1 63 ? -1.570 7.104 -16.189 1.00 15.01 ? 144 HIS A O 1 ATOM 505 C CB . HIS A 1 63 ? -1.675 4.185 -15.518 1.00 14.87 ? 144 HIS A CB 1 ATOM 506 C CG . HIS A 1 63 ? -1.282 2.796 -15.901 1.00 14.73 ? 144 HIS A CG 1 ATOM 507 N ND1 . HIS A 1 63 ? -1.026 1.822 -14.964 1.00 14.72 ? 144 HIS A ND1 1 ATOM 508 C CD2 . HIS A 1 63 ? -1.062 2.224 -17.108 1.00 14.85 ? 144 HIS A CD2 1 ATOM 509 C CE1 . HIS A 1 63 ? -0.681 0.703 -15.573 1.00 14.93 ? 144 HIS A CE1 1 ATOM 510 N NE2 . HIS A 1 63 ? -0.695 0.920 -16.874 1.00 14.85 ? 144 HIS A NE2 1 ATOM 511 N N . SER A 1 64 ? -0.768 7.191 -14.088 1.00 16.18 ? 145 SER A N 1 ATOM 512 C CA . SER A 1 64 ? -1.130 8.596 -13.883 1.00 17.17 ? 145 SER A CA 1 ATOM 513 C C . SER A 1 64 ? -0.308 9.543 -14.757 1.00 18.95 ? 145 SER A C 1 ATOM 514 O O . SER A 1 64 ? -0.696 10.686 -14.969 1.00 18.82 ? 145 SER A O 1 ATOM 515 C CB . SER A 1 64 ? -0.949 8.997 -12.414 1.00 16.84 ? 145 SER A CB 1 ATOM 516 O OG . SER A 1 64 ? 0.429 9.129 -12.087 1.00 17.10 ? 145 SER A OG 1 ATOM 517 N N . ASN A 1 65 ? 0.826 9.056 -15.254 1.00 21.38 ? 146 ASN A N 1 ATOM 518 C CA . ASN A 1 65 ? 1.752 9.869 -16.024 1.00 24.43 ? 146 ASN A CA 1 ATOM 519 C C . ASN A 1 65 ? 1.094 10.408 -17.281 1.00 25.06 ? 146 ASN A C 1 ATOM 520 O O . ASN A 1 65 ? 0.413 9.686 -18.013 1.00 24.86 ? 146 ASN A O 1 ATOM 521 C CB . ASN A 1 65 ? 2.999 9.047 -16.359 1.00 26.25 ? 146 ASN A CB 1 ATOM 522 C CG . ASN A 1 65 ? 4.172 9.893 -16.806 1.00 29.31 ? 146 ASN A CG 1 ATOM 523 O OD1 . ASN A 1 65 ? 4.010 11.027 -17.269 1.00 29.81 ? 146 ASN A OD1 1 ATOM 524 N ND2 . ASN A 1 65 ? 5.386 9.324 -16.672 1.00 31.63 ? 146 ASN A ND2 1 ATOM 525 N N . ASP A 1 66 ? 1.262 11.708 -17.485 1.00 27.05 ? 147 ASP A N 1 ATOM 526 C CA . ASP A 1 66 ? 0.775 12.394 -18.672 1.00 27.66 ? 147 ASP A CA 1 ATOM 527 C C . ASP A 1 66 ? -0.745 12.333 -18.846 1.00 27.23 ? 147 ASP A C 1 ATOM 528 O O . ASP A 1 66 ? -1.253 12.353 -19.971 1.00 27.18 ? 147 ASP A O 1 ATOM 529 C CB . ASP A 1 66 ? 1.480 11.862 -19.923 1.00 28.69 ? 147 ASP A CB 1 ATOM 530 C CG . ASP A 1 66 ? 1.473 12.861 -21.058 1.00 29.05 ? 147 ASP A CG 1 ATOM 531 O OD1 . ASP A 1 66 ? 1.305 14.073 -20.790 1.00 29.62 ? 147 ASP A OD1 1 ATOM 532 O OD2 . ASP A 1 66 ? 1.637 12.437 -22.214 1.00 29.31 ? 147 ASP A OD2 1 ATOM 533 N N . THR A 1 67 ? -1.465 12.305 -17.725 1.00 26.51 ? 148 THR A N 1 ATOM 534 C CA . THR A 1 67 ? -2.919 12.426 -17.733 1.00 25.92 ? 148 THR A CA 1 ATOM 535 C C . THR A 1 67 ? -3.414 13.856 -17.977 1.00 26.48 ? 148 THR A C 1 ATOM 536 O O . THR A 1 67 ? -4.601 14.130 -17.804 1.00 25.52 ? 148 THR A O 1 ATOM 537 C CB . THR A 1 67 ? -3.522 11.898 -16.411 1.00 25.18 ? 148 THR A CB 1 ATOM 538 O OG1 . THR A 1 67 ? -2.744 12.372 -15.303 1.00 25.49 ? 148 THR A OG1 1 ATOM 539 C CG2 . THR A 1 67 ? -3.514 10.379 -16.413 1.00 25.05 ? 148 THR A CG2 1 ATOM 540 N N . VAL A 1 68 ? -2.531 14.762 -18.407 1.00 27.52 ? 149 VAL A N 1 ATOM 541 C CA . VAL A 1 68 ? -2.966 16.096 -18.839 1.00 28.09 ? 149 VAL A CA 1 ATOM 542 C C . VAL A 1 68 ? -3.838 16.010 -20.094 1.00 28.12 ? 149 VAL A C 1 ATOM 543 O O . VAL A 1 68 ? -4.668 16.886 -20.334 1.00 28.09 ? 149 VAL A O 1 ATOM 544 C CB . VAL A 1 68 ? -1.777 17.060 -19.097 1.00 28.46 ? 149 VAL A CB 1 ATOM 545 C CG1 . VAL A 1 68 ? -0.985 16.650 -20.335 1.00 29.11 ? 149 VAL A CG1 1 ATOM 546 C CG2 . VAL A 1 68 ? -2.269 18.499 -19.226 1.00 28.60 ? 149 VAL A CG2 1 ATOM 547 N N . HIS A 1 69 ? -3.652 14.955 -20.886 1.00 27.82 ? 150 HIS A N 1 ATOM 548 C CA . HIS A 1 69 ? -4.411 14.792 -22.133 1.00 28.02 ? 150 HIS A CA 1 ATOM 549 C C . HIS A 1 69 ? -5.907 14.637 -21.876 1.00 26.60 ? 150 HIS A C 1 ATOM 550 O O . HIS A 1 69 ? -6.317 14.015 -20.894 1.00 25.50 ? 150 HIS A O 1 ATOM 551 C CB . HIS A 1 69 ? -3.887 13.603 -22.935 1.00 29.41 ? 150 HIS A CB 1 ATOM 552 C CG . HIS A 1 69 ? -2.450 13.747 -23.321 1.00 30.82 ? 150 HIS A CG 1 ATOM 553 N ND1 . HIS A 1 69 ? -1.985 14.826 -24.043 1.00 31.83 ? 150 HIS A ND1 1 ATOM 554 C CD2 . HIS A 1 69 ? -1.370 12.976 -23.060 1.00 31.69 ? 150 HIS A CD2 1 ATOM 555 C CE1 . HIS A 1 69 ? -0.683 14.702 -24.229 1.00 32.39 ? 150 HIS A CE1 1 ATOM 556 N NE2 . HIS A 1 69 ? -0.285 13.588 -23.644 1.00 32.50 ? 150 HIS A NE2 1 ATOM 557 N N . ASP A 1 70 ? -6.712 15.204 -22.769 1.00 25.25 ? 151 ASP A N 1 ATOM 558 C CA . ASP A 1 70 ? -8.157 15.301 -22.545 1.00 24.64 ? 151 ASP A CA 1 ATOM 559 C C . ASP A 1 70 ? -8.924 14.050 -22.954 1.00 22.53 ? 151 ASP A C 1 ATOM 560 O O . ASP A 1 70 ? -9.950 13.743 -22.347 1.00 23.00 ? 151 ASP A O 1 ATOM 561 C CB . ASP A 1 70 ? -8.725 16.511 -23.294 1.00 25.80 ? 151 ASP A CB 1 ATOM 562 C CG . ASP A 1 70 ? -8.254 17.824 -22.711 1.00 27.28 ? 151 ASP A CG 1 ATOM 563 O OD1 . ASP A 1 70 ? -8.464 18.034 -21.496 1.00 27.72 ? 151 ASP A OD1 1 ATOM 564 O OD2 . ASP A 1 70 ? -7.674 18.639 -23.464 1.00 27.47 ? 151 ASP A OD2 1 ATOM 565 N N . ARG A 1 71 ? -8.443 13.343 -23.982 1.00 20.57 ? 152 ARG A N 1 ATOM 566 C CA . ARG A 1 71 ? -9.216 12.278 -24.619 1.00 19.10 ? 152 ARG A CA 1 ATOM 567 C C . ARG A 1 71 ? -8.361 11.031 -24.839 1.00 19.14 ? 152 ARG A C 1 ATOM 568 O O . ARG A 1 71 ? -7.425 11.034 -25.674 1.00 20.86 ? 152 ARG A O 1 ATOM 569 C CB . ARG A 1 71 ? -9.818 12.777 -25.944 1.00 18.60 ? 152 ARG A CB 1 ATOM 570 C CG . ARG A 1 71 ? -10.735 13.993 -25.772 1.00 18.10 ? 152 ARG A CG 1 ATOM 571 C CD . ARG A 1 71 ? -11.236 14.572 -27.093 1.00 17.69 ? 152 ARG A CD 1 ATOM 572 N NE . ARG A 1 71 ? -10.138 14.919 -27.995 1.00 17.48 ? 152 ARG A NE 1 ATOM 573 C CZ . ARG A 1 71 ? -9.384 16.016 -27.904 1.00 17.65 ? 152 ARG A CZ 1 ATOM 574 N NH1 . ARG A 1 71 ? -9.573 16.918 -26.946 1.00 17.41 ? 152 ARG A NH1 1 ATOM 575 N NH2 . ARG A 1 71 ? -8.419 16.213 -28.787 1.00 18.05 ? 152 ARG A NH2 1 ATOM 576 N N . ILE A 1 72 ? -8.637 10.011 -24.029 1.00 17.01 ? 153 ILE A N 1 ATOM 577 C CA . ILE A 1 72 ? -8.136 8.648 -24.227 1.00 16.14 ? 153 ILE A CA 1 ATOM 578 C C . ILE A 1 72 ? -9.330 7.705 -24.059 1.00 15.32 ? 153 ILE A C 1 ATOM 579 O O . ILE A 1 72 ? -10.308 8.073 -23.416 1.00 14.74 ? 153 ILE A O 1 ATOM 580 C CB . ILE A 1 72 ? -7.000 8.272 -23.242 1.00 16.11 ? 153 ILE A CB 1 ATOM 581 C CG1 . ILE A 1 72 ? -7.449 8.386 -21.779 1.00 15.75 ? 153 ILE A CG1 1 ATOM 582 C CG2 . ILE A 1 72 ? -5.760 9.133 -23.492 1.00 16.42 ? 153 ILE A CG2 1 ATOM 583 C CD1 . ILE A 1 72 ? -6.388 7.957 -20.784 1.00 15.97 ? 153 ILE A CD1 1 ATOM 584 N N . PRO A 1 73 ? -9.255 6.485 -24.620 1.00 15.08 ? 154 PRO A N 1 ATOM 585 C CA . PRO A 1 73 ? -10.421 5.577 -24.556 1.00 14.73 ? 154 PRO A CA 1 ATOM 586 C C . PRO A 1 73 ? -10.731 5.031 -23.163 1.00 14.15 ? 154 PRO A C 1 ATOM 587 O O . PRO A 1 73 ? -11.779 4.417 -22.968 1.00 14.24 ? 154 PRO A O 1 ATOM 588 C CB . PRO A 1 73 ? -10.040 4.419 -25.491 1.00 15.22 ? 154 PRO A CB 1 ATOM 589 C CG . PRO A 1 73 ? -8.680 4.715 -26.016 1.00 15.59 ? 154 PRO A CG 1 ATOM 590 C CD . PRO A 1 73 ? -8.092 5.859 -25.268 1.00 15.44 ? 154 PRO A CD 1 ATOM 591 N N . HIS A 1 74 ? -9.841 5.269 -22.200 1.00 13.84 ? 155 HIS A N 1 ATOM 592 C CA . HIS A 1 74 ? -9.986 4.727 -20.857 1.00 13.31 ? 155 HIS A CA 1 ATOM 593 C C . HIS A 1 74 ? -10.722 5.673 -19.921 1.00 13.05 ? 155 HIS A C 1 ATOM 594 O O . HIS A 1 74 ? -11.052 5.298 -18.797 1.00 13.04 ? 155 HIS A O 1 ATOM 595 C CB . HIS A 1 74 ? -8.608 4.348 -20.327 1.00 13.46 ? 155 HIS A CB 1 ATOM 596 C CG . HIS A 1 74 ? -7.780 3.655 -21.359 1.00 13.59 ? 155 HIS A CG 1 ATOM 597 N ND1 . HIS A 1 74 ? -8.172 2.468 -21.937 1.00 13.73 ? 155 HIS A ND1 1 ATOM 598 C CD2 . HIS A 1 74 ? -6.647 4.028 -21.997 1.00 13.86 ? 155 HIS A CD2 1 ATOM 599 C CE1 . HIS A 1 74 ? -7.299 2.120 -22.863 1.00 13.84 ? 155 HIS A CE1 1 ATOM 600 N NE2 . HIS A 1 74 ? -6.360 3.047 -22.915 1.00 14.00 ? 155 HIS A NE2 1 ATOM 601 N N . ARG A 1 75 ? -11.021 6.880 -20.392 1.00 12.90 ? 156 ARG A N 1 ATOM 602 C CA . ARG A 1 75 ? -11.807 7.812 -19.602 1.00 12.69 ? 156 ARG A CA 1 ATOM 603 C C . ARG A 1 75 ? -13.227 7.284 -19.467 1.00 12.42 ? 156 ARG A C 1 ATOM 604 O O . ARG A 1 75 ? -13.834 6.841 -20.443 1.00 12.05 ? 156 ARG A O 1 ATOM 605 C CB . ARG A 1 75 ? -11.793 9.225 -20.194 1.00 12.90 ? 156 ARG A CB 1 ATOM 606 C CG . ARG A 1 75 ? -10.391 9.806 -20.310 1.00 13.15 ? 156 ARG A CG 1 ATOM 607 C CD . ARG A 1 75 ? -10.385 11.322 -20.282 1.00 13.17 ? 156 ARG A CD 1 ATOM 608 N NE . ARG A 1 75 ? -10.560 11.858 -18.932 1.00 13.18 ? 156 ARG A NE 1 ATOM 609 C CZ . ARG A 1 75 ? -10.550 13.156 -18.635 1.00 13.35 ? 156 ARG A CZ 1 ATOM 610 N NH1 . ARG A 1 75 ? -10.374 14.064 -19.594 1.00 13.43 ? 156 ARG A NH1 1 ATOM 611 N NH2 . ARG A 1 75 ? -10.710 13.553 -17.375 1.00 13.31 ? 156 ARG A NH2 1 ATOM 612 N N . THR A 1 76 ? -13.716 7.298 -18.233 1.00 12.39 ? 157 THR A N 1 ATOM 613 C CA . THR A 1 76 ? -15.071 6.863 -17.905 1.00 12.36 ? 157 THR A CA 1 ATOM 614 C C . THR A 1 76 ? -15.685 7.859 -16.940 1.00 12.32 ? 157 THR A C 1 ATOM 615 O O . THR A 1 76 ? -14.974 8.523 -16.183 1.00 12.38 ? 157 THR A O 1 ATOM 616 C CB . THR A 1 76 ? -15.077 5.463 -17.258 1.00 12.66 ? 157 THR A CB 1 ATOM 617 O OG1 . THR A 1 76 ? -14.207 5.445 -16.112 1.00 12.99 ? 157 THR A OG1 1 ATOM 618 C CG2 . THR A 1 76 ? -14.601 4.407 -18.249 1.00 12.77 ? 157 THR A CG2 1 ATOM 619 N N . LEU A 1 77 ? -17.008 7.960 -16.962 1.00 12.27 ? 158 LEU A N 1 ATOM 620 C CA . LEU A 1 77 ? -17.719 8.850 -16.064 1.00 12.24 ? 158 LEU A CA 1 ATOM 621 C C . LEU A 1 77 ? -17.873 8.174 -14.706 1.00 12.34 ? 158 LEU A C 1 ATOM 622 O O . LEU A 1 77 ? -18.430 7.078 -14.613 1.00 12.51 ? 158 LEU A O 1 ATOM 623 C CB . LEU A 1 77 ? -19.099 9.180 -16.631 1.00 12.16 ? 158 LEU A CB 1 ATOM 624 C CG . LEU A 1 77 ? -19.985 10.095 -15.783 1.00 12.16 ? 158 LEU A CG 1 ATOM 625 C CD1 . LEU A 1 77 ? -19.329 11.432 -15.487 1.00 12.27 ? 158 LEU A CD1 1 ATOM 626 C CD2 . LEU A 1 77 ? -21.320 10.276 -16.485 1.00 12.32 ? 158 LEU A CD2 1 ATOM 627 N N . LEU A 1 78 ? -17.378 8.832 -13.664 1.00 12.30 ? 159 LEU A N 1 ATOM 628 C CA . LEU A 1 78 ? -17.480 8.343 -12.289 1.00 12.40 ? 159 LEU A CA 1 ATOM 629 C C . LEU A 1 78 ? -18.658 9.010 -11.595 1.00 12.60 ? 159 LEU A C 1 ATOM 630 O O . LEU A 1 78 ? -18.934 10.186 -11.841 1.00 12.31 ? 159 LEU A O 1 ATOM 631 C CB . LEU A 1 78 ? -16.207 8.697 -11.522 1.00 12.53 ? 159 LEU A CB 1 ATOM 632 C CG . LEU A 1 78 ? -14.898 8.251 -12.159 1.00 12.71 ? 159 LEU A CG 1 ATOM 633 C CD1 . LEU A 1 78 ? -13.726 8.681 -11.298 1.00 12.91 ? 159 LEU A CD1 1 ATOM 634 C CD2 . LEU A 1 78 ? -14.895 6.746 -12.349 1.00 12.97 ? 159 LEU A CD2 1 ATOM 635 N N . MET A 1 79 ? -19.343 8.265 -10.729 1.00 12.83 ? 160 MET A N 1 ATOM 636 C CA . MET A 1 79 ? -20.488 8.790 -9.989 1.00 13.12 ? 160 MET A CA 1 ATOM 637 C C . MET A 1 79 ? -20.522 8.243 -8.566 1.00 13.33 ? 160 MET A C 1 ATOM 638 O O . MET A 1 79 ? -20.670 7.034 -8.367 1.00 13.38 ? 160 MET A O 1 ATOM 639 C CB . MET A 1 79 ? -21.790 8.432 -10.717 1.00 13.56 ? 160 MET A CB 1 ATOM 640 C CG . MET A 1 79 ? -23.066 8.923 -10.054 1.00 14.01 ? 160 MET A CG 1 ATOM 641 S SD . MET A 1 79 ? -24.506 8.291 -10.941 1.00 14.44 ? 160 MET A SD 1 ATOM 642 C CE . MET A 1 79 ? -25.861 8.992 -10.002 1.00 14.94 ? 160 MET A CE 1 ATOM 643 N N . ASN A 1 80 ? -20.399 9.145 -7.591 1.00 13.42 ? 161 ASN A N 1 ATOM 644 C CA . ASN A 1 80 ? -20.549 8.829 -6.170 1.00 13.94 ? 161 ASN A CA 1 ATOM 645 C C . ASN A 1 80 ? -21.530 9.793 -5.513 1.00 14.05 ? 161 ASN A C 1 ATOM 646 O O . ASN A 1 80 ? -21.827 10.855 -6.051 1.00 13.68 ? 161 ASN A O 1 ATOM 647 C CB . ASN A 1 80 ? -19.216 8.998 -5.435 1.00 14.21 ? 161 ASN A CB 1 ATOM 648 C CG . ASN A 1 80 ? -18.310 7.794 -5.546 1.00 14.52 ? 161 ASN A CG 1 ATOM 649 O OD1 . ASN A 1 80 ? -18.715 6.716 -5.988 1.00 15.09 ? 161 ASN A OD1 1 ATOM 650 N ND2 . ASN A 1 80 ? -17.061 7.975 -5.134 1.00 14.41 ? 161 ASN A ND2 1 ATOM 651 N N . GLU A 1 81 ? -22.006 9.437 -4.328 1.00 14.72 ? 162 GLU A N 1 ATOM 652 C CA . GLU A 1 81 ? -22.703 10.412 -3.503 1.00 15.30 ? 162 GLU A CA 1 ATOM 653 C C . GLU A 1 81 ? -21.766 11.575 -3.228 1.00 14.42 ? 162 GLU A C 1 ATOM 654 O O . GLU A 1 81 ? -20.561 11.384 -3.058 1.00 13.64 ? 162 GLU A O 1 ATOM 655 C CB . GLU A 1 81 ? -23.151 9.807 -2.182 1.00 16.94 ? 162 GLU A CB 1 ATOM 656 C CG . GLU A 1 81 ? -24.418 8.990 -2.278 1.00 18.59 ? 162 GLU A CG 1 ATOM 657 C CD . GLU A 1 81 ? -25.035 8.767 -0.910 1.00 20.41 ? 162 GLU A CD 1 ATOM 658 O OE1 . GLU A 1 81 ? -25.356 9.756 -0.215 1.00 22.31 ? 162 GLU A OE1 1 ATOM 659 O OE2 . GLU A 1 81 ? -25.192 7.601 -0.533 1.00 22.63 ? 162 GLU A OE2 1 ATOM 660 N N . LEU A 1 82 ? -22.320 12.783 -3.195 1.00 13.92 ? 163 LEU A N 1 ATOM 661 C CA . LEU A 1 82 ? -21.522 13.981 -2.964 1.00 13.87 ? 163 LEU A CA 1 ATOM 662 C C . LEU A 1 82 ? -20.762 13.875 -1.638 1.00 13.60 ? 163 LEU A C 1 ATOM 663 O O . LEU A 1 82 ? -21.350 13.611 -0.593 1.00 13.35 ? 163 LEU A O 1 ATOM 664 C CB . LEU A 1 82 ? -22.410 15.233 -2.972 1.00 14.19 ? 163 LEU A CB 1 ATOM 665 C CG . LEU A 1 82 ? -21.705 16.567 -2.721 1.00 14.36 ? 163 LEU A CG 1 ATOM 666 C CD1 . LEU A 1 82 ? -20.611 16.823 -3.747 1.00 14.21 ? 163 LEU A CD1 1 ATOM 667 C CD2 . LEU A 1 82 ? -22.707 17.713 -2.704 1.00 14.74 ? 163 LEU A CD2 1 ATOM 668 N N . GLY A 1 83 ? -19.447 14.064 -1.695 1.00 13.46 ? 164 GLY A N 1 ATOM 669 C CA . GLY A 1 83 ? -18.608 13.971 -0.507 1.00 13.56 ? 164 GLY A CA 1 ATOM 670 C C . GLY A 1 83 ? -17.897 12.639 -0.328 1.00 13.63 ? 164 GLY A C 1 ATOM 671 O O . GLY A 1 83 ? -17.038 12.518 0.550 1.00 13.68 ? 164 GLY A O 1 ATOM 672 N N . VAL A 1 84 ? -18.266 11.635 -1.126 1.00 13.40 ? 165 VAL A N 1 ATOM 673 C CA . VAL A 1 84 ? -17.563 10.354 -1.129 1.00 13.51 ? 165 VAL A CA 1 ATOM 674 C C . VAL A 1 84 ? -16.483 10.491 -2.191 1.00 13.75 ? 165 VAL A C 1 ATOM 675 O O . VAL A 1 84 ? -16.795 10.602 -3.385 1.00 13.36 ? 165 VAL A O 1 ATOM 676 C CB . VAL A 1 84 ? -18.486 9.163 -1.487 1.00 13.59 ? 165 VAL A CB 1 ATOM 677 C CG1 . VAL A 1 84 ? -17.686 7.872 -1.578 1.00 13.56 ? 165 VAL A CG1 1 ATOM 678 C CG2 . VAL A 1 84 ? -19.615 9.015 -0.479 1.00 13.74 ? 165 VAL A CG2 1 ATOM 679 N N . PRO A 1 85 ? -15.209 10.506 -1.770 1.00 13.96 ? 166 PRO A N 1 ATOM 680 C CA . PRO A 1 85 ? -14.169 10.702 -2.774 1.00 14.12 ? 166 PRO A CA 1 ATOM 681 C C . PRO A 1 85 ? -14.098 9.520 -3.726 1.00 13.75 ? 166 PRO A C 1 ATOM 682 O O . PRO A 1 85 ? -14.644 8.452 -3.433 1.00 13.58 ? 166 PRO A O 1 ATOM 683 C CB . PRO A 1 85 ? -12.888 10.832 -1.952 1.00 14.43 ? 166 PRO A CB 1 ATOM 684 C CG . PRO A 1 85 ? -13.176 10.142 -0.669 1.00 14.53 ? 166 PRO A CG 1 ATOM 685 C CD . PRO A 1 85 ? -14.662 10.199 -0.440 1.00 14.34 ? 166 PRO A CD 1 ATOM 686 N N . PHE A 1 86 ? -13.435 9.708 -4.859 1.00 13.86 ? 167 PHE A N 1 ATOM 687 C CA . PHE A 1 86 ? -13.413 8.677 -5.891 1.00 13.91 ? 167 PHE A CA 1 ATOM 688 C C . PHE A 1 86 ? -12.417 7.567 -5.548 1.00 14.43 ? 167 PHE A C 1 ATOM 689 O O . PHE A 1 86 ? -11.298 7.510 -6.065 1.00 14.40 ? 167 PHE A O 1 ATOM 690 C CB . PHE A 1 86 ? -13.168 9.293 -7.271 1.00 13.91 ? 167 PHE A CB 1 ATOM 691 C CG . PHE A 1 86 ? -14.258 10.233 -7.719 1.00 13.80 ? 167 PHE A CG 1 ATOM 692 C CD1 . PHE A 1 86 ? -15.571 9.798 -7.827 1.00 13.85 ? 167 PHE A CD1 1 ATOM 693 C CD2 . PHE A 1 86 ? -13.972 11.551 -8.040 1.00 13.90 ? 167 PHE A CD2 1 ATOM 694 C CE1 . PHE A 1 86 ? -16.576 10.658 -8.246 1.00 13.76 ? 167 PHE A CE1 1 ATOM 695 C CE2 . PHE A 1 86 ? -14.967 12.413 -8.460 1.00 13.79 ? 167 PHE A CE2 1 ATOM 696 C CZ . PHE A 1 86 ? -16.274 11.965 -8.565 1.00 13.73 ? 167 PHE A CZ 1 ATOM 697 N N . HIS A 1 87 ? -12.862 6.689 -4.655 1.00 14.87 ? 168 HIS A N 1 ATOM 698 C CA . HIS A 1 87 ? -12.120 5.504 -4.230 1.00 15.33 ? 168 HIS A CA 1 ATOM 699 C C . HIS A 1 87 ? -12.376 4.347 -5.214 1.00 15.28 ? 168 HIS A C 1 ATOM 700 O O . HIS A 1 87 ? -13.127 4.499 -6.176 1.00 14.87 ? 168 HIS A O 1 ATOM 701 C CB . HIS A 1 87 ? -12.529 5.118 -2.804 1.00 15.65 ? 168 HIS A CB 1 ATOM 702 C CG . HIS A 1 87 ? -13.975 4.757 -2.677 1.00 16.10 ? 168 HIS A CG 1 ATOM 703 N ND1 . HIS A 1 87 ? -14.416 3.455 -2.708 1.00 16.42 ? 168 HIS A ND1 1 ATOM 704 C CD2 . HIS A 1 87 ? -15.081 5.526 -2.562 1.00 16.18 ? 168 HIS A CD2 1 ATOM 705 C CE1 . HIS A 1 87 ? -15.733 3.436 -2.601 1.00 16.57 ? 168 HIS A CE1 1 ATOM 706 N NE2 . HIS A 1 87 ? -16.161 4.680 -2.513 1.00 16.48 ? 168 HIS A NE2 1 ATOM 707 N N . LEU A 1 88 ? -11.761 3.193 -4.970 1.00 15.60 ? 169 LEU A N 1 ATOM 708 C CA . LEU A 1 88 ? -11.785 2.086 -5.939 1.00 15.78 ? 169 LEU A CA 1 ATOM 709 C C . LEU A 1 88 ? -13.126 1.368 -6.071 1.00 15.46 ? 169 LEU A C 1 ATOM 710 O O . LEU A 1 88 ? -13.323 0.598 -7.004 1.00 15.64 ? 169 LEU A O 1 ATOM 711 C CB . LEU A 1 88 ? -10.697 1.062 -5.619 1.00 16.75 ? 169 LEU A CB 1 ATOM 712 C CG . LEU A 1 88 ? -9.306 1.435 -6.110 1.00 17.33 ? 169 LEU A CG 1 ATOM 713 C CD1 . LEU A 1 88 ? -8.298 0.399 -5.636 1.00 18.18 ? 169 LEU A CD1 1 ATOM 714 C CD2 . LEU A 1 88 ? -9.273 1.567 -7.629 1.00 17.44 ? 169 LEU A CD2 1 ATOM 715 N N . GLY A 1 89 ? -14.031 1.613 -5.135 1.00 15.15 ? 170 GLY A N 1 ATOM 716 C CA . GLY A 1 89 ? -15.401 1.118 -5.225 1.00 14.83 ? 170 GLY A CA 1 ATOM 717 C C . GLY A 1 89 ? -16.328 2.031 -6.008 1.00 14.41 ? 170 GLY A C 1 ATOM 718 O O . GLY A 1 89 ? -17.512 1.743 -6.125 1.00 14.43 ? 170 GLY A O 1 ATOM 719 N N . THR A 1 90 ? -15.798 3.131 -6.538 1.00 13.94 ? 171 THR A N 1 ATOM 720 C CA . THR A 1 90 ? -16.573 4.051 -7.373 1.00 13.69 ? 171 THR A CA 1 ATOM 721 C C . THR A 1 90 ? -17.087 3.381 -8.656 1.00 13.65 ? 171 THR A C 1 ATOM 722 O O . THR A 1 90 ? -16.343 2.677 -9.340 1.00 13.52 ? 171 THR A O 1 ATOM 723 C CB . THR A 1 90 ? -15.725 5.266 -7.778 1.00 13.57 ? 171 THR A CB 1 ATOM 724 O OG1 . THR A 1 90 ? -15.296 5.965 -6.602 1.00 13.72 ? 171 THR A OG1 1 ATOM 725 C CG2 . THR A 1 90 ? -16.511 6.209 -8.690 1.00 13.66 ? 171 THR A CG2 1 ATOM 726 N N . ARG A 1 91 ? -18.354 3.617 -8.980 1.00 13.69 ? 172 ARG A N 1 ATOM 727 C CA . ARG A 1 91 ? -18.925 3.096 -10.214 1.00 13.96 ? 172 ARG A CA 1 ATOM 728 C C . ARG A 1 91 ? -18.583 3.958 -11.421 1.00 13.66 ? 172 ARG A C 1 ATOM 729 O O . ARG A 1 91 ? -18.802 5.179 -11.421 1.00 13.67 ? 172 ARG A O 1 ATOM 730 C CB . ARG A 1 91 ? -20.444 2.965 -10.113 1.00 14.34 ? 172 ARG A CB 1 ATOM 731 C CG . ARG A 1 91 ? -21.044 2.231 -11.300 1.00 14.86 ? 172 ARG A CG 1 ATOM 732 C CD . ARG A 1 91 ? -22.498 1.872 -11.056 1.00 15.51 ? 172 ARG A CD 1 ATOM 733 N NE . ARG A 1 91 ? -23.309 3.075 -10.880 1.00 16.21 ? 172 ARG A NE 1 ATOM 734 C CZ . ARG A 1 91 ? -24.131 3.610 -11.787 1.00 16.94 ? 172 ARG A CZ 1 ATOM 735 N NH1 . ARG A 1 91 ? -24.794 4.724 -11.478 1.00 17.82 ? 172 ARG A NH1 1 ATOM 736 N NH2 . ARG A 1 91 ? -24.303 3.068 -12.990 1.00 16.88 ? 172 ARG A NH2 1 ATOM 737 N N . GLN A 1 92 ? -18.074 3.302 -12.455 1.00 13.71 ? 173 GLN A N 1 ATOM 738 C CA . GLN A 1 92 ? -17.859 3.915 -13.757 1.00 13.80 ? 173 GLN A CA 1 ATOM 739 C C . GLN A 1 92 ? -19.138 3.722 -14.561 1.00 14.43 ? 173 GLN A C 1 ATOM 740 O O . GLN A 1 92 ? -19.456 2.615 -14.985 1.00 14.77 ? 173 GLN A O 1 ATOM 741 C CB . GLN A 1 92 ? -16.670 3.268 -14.462 1.00 13.58 ? 173 GLN A CB 1 ATOM 742 C CG . GLN A 1 92 ? -15.373 3.382 -13.677 1.00 13.34 ? 173 GLN A CG 1 ATOM 743 C CD . GLN A 1 92 ? -14.269 2.529 -14.254 1.00 13.38 ? 173 GLN A CD 1 ATOM 744 O OE1 . GLN A 1 92 ? -13.604 2.925 -15.205 1.00 13.26 ? 173 GLN A OE1 1 ATOM 745 N NE2 . GLN A 1 92 ? -14.076 1.344 -13.686 1.00 13.59 ? 173 GLN A NE2 1 ATOM 746 N N . VAL A 1 93 ? -19.862 4.818 -14.757 1.00 15.05 ? 174 VAL A N 1 ATOM 747 C CA . VAL A 1 93 ? -21.221 4.795 -15.278 1.00 15.90 ? 174 VAL A CA 1 ATOM 748 C C . VAL A 1 93 ? -21.269 4.540 -16.791 1.00 15.89 ? 174 VAL A C 1 ATOM 749 O O . VAL A 1 93 ? -22.221 3.952 -17.300 1.00 16.59 ? 174 VAL A O 1 ATOM 750 C CB . VAL A 1 93 ? -21.914 6.132 -14.923 1.00 16.58 ? 174 VAL A CB 1 ATOM 751 C CG1 . VAL A 1 93 ? -23.216 6.310 -15.667 1.00 17.56 ? 174 VAL A CG1 1 ATOM 752 C CG2 . VAL A 1 93 ? -22.125 6.218 -13.413 1.00 16.86 ? 174 VAL A CG2 1 ATOM 753 N N . CYS A 1 94 ? -20.252 5.003 -17.501 1.00 15.49 ? 175 CYS A N 1 ATOM 754 C CA . CYS A 1 94 ? -20.168 4.826 -18.944 1.00 15.54 ? 175 CYS A CA 1 ATOM 755 C C . CYS A 1 94 ? -18.778 5.208 -19.403 1.00 14.90 ? 175 CYS A C 1 ATOM 756 O O . CYS A 1 94 ? -17.976 5.709 -18.609 1.00 14.95 ? 175 CYS A O 1 ATOM 757 C CB . CYS A 1 94 ? -21.175 5.731 -19.646 1.00 15.86 ? 175 CYS A CB 1 ATOM 758 S SG . CYS A 1 94 ? -20.924 7.467 -19.233 1.00 16.07 ? 175 CYS A SG 1 ATOM 759 N N . ILE A 1 95 ? -18.507 4.989 -20.686 1.00 14.40 ? 176 ILE A N 1 ATOM 760 C CA . ILE A 1 95 ? -17.244 5.388 -21.282 1.00 14.23 ? 176 ILE A CA 1 ATOM 761 C C . ILE A 1 95 ? -17.417 6.818 -21.784 1.00 14.03 ? 176 ILE A C 1 ATOM 762 O O . ILE A 1 95 ? -18.348 7.097 -22.544 1.00 14.18 ? 176 ILE A O 1 ATOM 763 C CB . ILE A 1 95 ? -16.844 4.469 -22.450 1.00 14.43 ? 176 ILE A CB 1 ATOM 764 C CG1 . ILE A 1 95 ? -16.965 2.986 -22.054 1.00 14.54 ? 176 ILE A CG1 1 ATOM 765 C CG2 . ILE A 1 95 ? -15.425 4.780 -22.898 1.00 14.52 ? 176 ILE A CG2 1 ATOM 766 C CD1 . ILE A 1 95 ? -16.525 2.028 -23.145 1.00 14.74 ? 176 ILE A CD1 1 ATOM 767 N N . ALA A 1 96 ? -16.524 7.723 -21.378 1.00 13.63 ? 177 ALA A N 1 ATOM 768 C CA . ALA A 1 96 ? -16.714 9.149 -21.678 1.00 13.41 ? 177 ALA A CA 1 ATOM 769 C C . ALA A 1 96 ? -15.475 9.988 -21.477 1.00 13.19 ? 177 ALA A C 1 ATOM 770 O O . ALA A 1 96 ? -14.890 9.963 -20.394 1.00 13.39 ? 177 ALA A O 1 ATOM 771 C CB . ALA A 1 96 ? -17.823 9.720 -20.812 1.00 13.13 ? 177 ALA A CB 1 ATOM 772 N N . TRP A 1 97 ? -15.095 10.746 -22.507 1.00 13.03 ? 178 TRP A N 1 ATOM 773 C CA . TRP A 1 97 ? -14.143 11.845 -22.329 1.00 12.88 ? 178 TRP A CA 1 ATOM 774 C C . TRP A 1 97 ? -14.826 13.229 -22.380 1.00 12.99 ? 178 TRP A C 1 ATOM 775 O O . TRP A 1 97 ? -14.160 14.268 -22.311 1.00 12.80 ? 178 TRP A O 1 ATOM 776 C CB . TRP A 1 97 ? -12.913 11.730 -23.261 1.00 12.94 ? 178 TRP A CB 1 ATOM 777 C CG . TRP A 1 97 ? -13.116 11.415 -24.734 1.00 12.96 ? 178 TRP A CG 1 ATOM 778 C CD1 . TRP A 1 97 ? -12.648 10.314 -25.400 1.00 13.07 ? 178 TRP A CD1 1 ATOM 779 C CD2 . TRP A 1 97 ? -13.754 12.237 -25.726 1.00 13.08 ? 178 TRP A CD2 1 ATOM 780 N NE1 . TRP A 1 97 ? -12.973 10.387 -26.729 1.00 13.16 ? 178 TRP A NE1 1 ATOM 781 C CE2 . TRP A 1 97 ? -13.658 11.551 -26.959 1.00 13.24 ? 178 TRP A CE2 1 ATOM 782 C CE3 . TRP A 1 97 ? -14.412 13.473 -25.690 1.00 13.22 ? 178 TRP A CE3 1 ATOM 783 C CZ2 . TRP A 1 97 ? -14.194 12.061 -28.148 1.00 13.40 ? 178 TRP A CZ2 1 ATOM 784 C CZ3 . TRP A 1 97 ? -14.944 13.985 -26.875 1.00 13.45 ? 178 TRP A CZ3 1 ATOM 785 C CH2 . TRP A 1 97 ? -14.835 13.272 -28.086 1.00 13.50 ? 178 TRP A CH2 1 ATOM 786 N N . SER A 1 98 ? -16.155 13.219 -22.485 1.00 12.69 ? 179 SER A N 1 ATOM 787 C CA . SER A 1 98 ? -17.007 14.404 -22.315 1.00 12.78 ? 179 SER A CA 1 ATOM 788 C C . SER A 1 98 ? -18.371 13.879 -21.886 1.00 12.79 ? 179 SER A C 1 ATOM 789 O O . SER A 1 98 ? -18.811 12.839 -22.386 1.00 12.53 ? 179 SER A O 1 ATOM 790 C CB . SER A 1 98 ? -17.125 15.194 -23.625 1.00 12.90 ? 179 SER A CB 1 ATOM 791 O OG . SER A 1 98 ? -17.948 16.345 -23.489 1.00 13.02 ? 179 SER A OG 1 ATOM 792 N N . SER A 1 99 ? -19.034 14.558 -20.950 1.00 12.77 ? 180 SER A N 1 ATOM 793 C CA . SER A 1 99 ? -20.318 14.066 -20.450 1.00 12.81 ? 180 SER A CA 1 ATOM 794 C C . SER A 1 99 ? -21.258 15.132 -19.904 1.00 12.92 ? 180 SER A C 1 ATOM 795 O O . SER A 1 99 ? -20.869 16.278 -19.678 1.00 12.66 ? 180 SER A O 1 ATOM 796 C CB . SER A 1 99 ? -20.104 13.020 -19.352 1.00 12.78 ? 180 SER A CB 1 ATOM 797 O OG . SER A 1 99 ? -19.945 13.629 -18.077 1.00 12.89 ? 180 SER A OG 1 ATOM 798 N N . SER A 1 100 ? -22.500 14.700 -19.696 1.00 13.11 ? 181 SER A N 1 ATOM 799 C CA . SER A 1 100 ? -23.522 15.442 -18.960 1.00 13.42 ? 181 SER A CA 1 ATOM 800 C C . SER A 1 100 ? -24.457 14.409 -18.337 1.00 13.75 ? 181 SER A C 1 ATOM 801 O O . SER A 1 100 ? -24.692 13.361 -18.940 1.00 14.06 ? 181 SER A O 1 ATOM 802 C CB . SER A 1 100 ? -24.295 16.366 -19.902 1.00 13.78 ? 181 SER A CB 1 ATOM 803 O OG . SER A 1 100 ? -25.269 17.132 -19.211 1.00 14.00 ? 181 SER A OG 1 ATOM 804 N N . SER A 1 101 ? -24.965 14.688 -17.135 1.00 13.74 ? 182 SER A N 1 ATOM 805 C CA . SER A 1 101 ? -25.934 13.808 -16.469 1.00 13.96 ? 182 SER A CA 1 ATOM 806 C C . SER A 1 101 ? -27.045 14.616 -15.820 1.00 14.12 ? 182 SER A C 1 ATOM 807 O O . SER A 1 101 ? -26.837 15.759 -15.419 1.00 13.84 ? 182 SER A O 1 ATOM 808 C CB . SER A 1 101 ? -25.261 12.959 -15.392 1.00 13.88 ? 182 SER A CB 1 ATOM 809 O OG . SER A 1 101 ? -24.161 12.221 -15.908 1.00 13.86 ? 182 SER A OG 1 ATOM 810 N N . CYS A 1 102 ? -28.226 14.014 -15.725 1.00 14.57 ? 183 CYS A N 1 ATOM 811 C CA . CYS A 1 102 ? -29.349 14.642 -15.041 1.00 15.22 ? 183 CYS A CA 1 ATOM 812 C C . CYS A 1 102 ? -30.434 13.623 -14.714 1.00 15.32 ? 183 CYS A C 1 ATOM 813 O O . CYS A 1 102 ? -30.548 12.584 -15.371 1.00 15.12 ? 183 CYS A O 1 ATOM 814 C CB . CYS A 1 102 ? -29.925 15.803 -15.859 1.00 15.67 ? 183 CYS A CB 1 ATOM 815 S SG . CYS A 1 102 ? -30.275 15.454 -17.598 1.00 16.42 ? 183 CYS A SG 1 ATOM 816 N N . HIS A 1 103 ? -31.200 13.929 -13.676 1.00 15.44 ? 184 HIS A N 1 ATOM 817 C CA . HIS A 1 103 ? -32.281 13.074 -13.203 1.00 15.86 ? 184 HIS A CA 1 ATOM 818 C C . HIS A 1 103 ? -33.580 13.782 -13.544 1.00 16.52 ? 184 HIS A C 1 ATOM 819 O O . HIS A 1 103 ? -33.714 14.970 -13.268 1.00 16.73 ? 184 HIS A O 1 ATOM 820 C CB . HIS A 1 103 ? -32.151 12.881 -11.688 1.00 15.84 ? 184 HIS A CB 1 ATOM 821 C CG . HIS A 1 103 ? -32.931 11.725 -11.151 1.00 15.87 ? 184 HIS A CG 1 ATOM 822 N ND1 . HIS A 1 103 ? -34.272 11.809 -10.843 1.00 16.28 ? 184 HIS A ND1 1 ATOM 823 C CD2 . HIS A 1 103 ? -32.557 10.458 -10.859 1.00 15.85 ? 184 HIS A CD2 1 ATOM 824 C CE1 . HIS A 1 103 ? -34.692 10.640 -10.388 1.00 16.42 ? 184 HIS A CE1 1 ATOM 825 N NE2 . HIS A 1 103 ? -33.670 9.801 -10.391 1.00 16.22 ? 184 HIS A NE2 1 ATOM 826 N N . ASP A 1 104 ? -34.532 13.062 -14.136 1.00 17.10 ? 185 ASP A N 1 ATOM 827 C CA . ASP A 1 104 ? -35.787 13.673 -14.598 1.00 17.72 ? 185 ASP A CA 1 ATOM 828 C C . ASP A 1 104 ? -36.938 13.550 -13.595 1.00 18.32 ? 185 ASP A C 1 ATOM 829 O O . ASP A 1 104 ? -38.079 13.885 -13.903 1.00 19.29 ? 185 ASP A O 1 ATOM 830 C CB . ASP A 1 104 ? -36.200 13.082 -15.953 1.00 17.68 ? 185 ASP A CB 1 ATOM 831 C CG . ASP A 1 104 ? -36.598 11.613 -15.873 1.00 17.62 ? 185 ASP A CG 1 ATOM 832 O OD1 . ASP A 1 104 ? -36.623 11.033 -14.767 1.00 17.34 ? 185 ASP A OD1 1 ATOM 833 O OD2 . ASP A 1 104 ? -36.899 11.039 -16.939 1.00 17.99 ? 185 ASP A OD2 1 ATOM 834 N N . GLY A 1 105 ? -36.624 13.077 -12.398 1.00 18.58 ? 186 GLY A N 1 ATOM 835 C CA . GLY A 1 105 ? -37.614 12.826 -11.359 1.00 19.22 ? 186 GLY A CA 1 ATOM 836 C C . GLY A 1 105 ? -37.881 11.344 -11.184 1.00 19.48 ? 186 GLY A C 1 ATOM 837 O O . GLY A 1 105 ? -38.282 10.912 -10.105 1.00 20.04 ? 186 GLY A O 1 ATOM 838 N N . LYS A 1 106 ? -37.648 10.565 -12.241 1.00 19.48 ? 187 LYS A N 1 ATOM 839 C CA . LYS A 1 106 ? -37.828 9.111 -12.213 1.00 19.77 ? 187 LYS A CA 1 ATOM 840 C C . LYS A 1 106 ? -36.519 8.330 -12.327 1.00 18.81 ? 187 LYS A C 1 ATOM 841 O O . LYS A 1 106 ? -36.339 7.321 -11.643 1.00 19.10 ? 187 LYS A O 1 ATOM 842 C CB . LYS A 1 106 ? -38.751 8.688 -13.344 1.00 20.74 ? 187 LYS A CB 1 ATOM 843 C CG . LYS A 1 106 ? -40.125 9.324 -13.259 1.00 21.88 ? 187 LYS A CG 1 ATOM 844 C CD . LYS A 1 106 ? -41.097 8.669 -14.222 1.00 23.07 ? 187 LYS A CD 1 ATOM 845 C CE . LYS A 1 106 ? -42.397 9.446 -14.275 1.00 24.26 ? 187 LYS A CE 1 ATOM 846 N NZ . LYS A 1 106 ? -43.490 8.640 -14.880 1.00 25.39 ? 187 LYS A NZ 1 ATOM 847 N N . ALA A 1 107 ? -35.617 8.780 -13.195 1.00 17.56 ? 188 ALA A N 1 ATOM 848 C CA . ALA A 1 107 ? -34.345 8.073 -13.414 1.00 16.65 ? 188 ALA A CA 1 ATOM 849 C C . ALA A 1 107 ? -33.266 8.991 -13.945 1.00 16.16 ? 188 ALA A C 1 ATOM 850 O O . ALA A 1 107 ? -33.552 10.112 -14.373 1.00 15.76 ? 188 ALA A O 1 ATOM 851 C CB . ALA A 1 107 ? -34.545 6.903 -14.371 1.00 16.84 ? 188 ALA A CB 1 ATOM 852 N N . TRP A 1 108 ? -32.027 8.488 -13.923 1.00 15.41 ? 189 TRP A N 1 ATOM 853 C CA . TRP A 1 108 ? -30.857 9.211 -14.417 1.00 15.02 ? 189 TRP A CA 1 ATOM 854 C C . TRP A 1 108 ? -30.682 9.040 -15.917 1.00 14.79 ? 189 TRP A C 1 ATOM 855 O O . TRP A 1 108 ? -30.833 7.934 -16.447 1.00 14.71 ? 189 TRP A O 1 ATOM 856 C CB . TRP A 1 108 ? -29.573 8.707 -13.742 1.00 15.02 ? 189 TRP A CB 1 ATOM 857 C CG . TRP A 1 108 ? -29.398 9.215 -12.356 1.00 15.16 ? 189 TRP A CG 1 ATOM 858 C CD1 . TRP A 1 108 ? -29.649 8.548 -11.197 1.00 15.53 ? 189 TRP A CD1 1 ATOM 859 C CD2 . TRP A 1 108 ? -28.938 10.513 -11.986 1.00 15.23 ? 189 TRP A CD2 1 ATOM 860 N NE1 . TRP A 1 108 ? -29.378 9.356 -10.119 1.00 15.54 ? 189 TRP A NE1 1 ATOM 861 C CE2 . TRP A 1 108 ? -28.943 10.571 -10.576 1.00 15.28 ? 189 TRP A CE2 1 ATOM 862 C CE3 . TRP A 1 108 ? -28.520 11.634 -12.708 1.00 15.01 ? 189 TRP A CE3 1 ATOM 863 C CZ2 . TRP A 1 108 ? -28.543 11.704 -9.876 1.00 15.21 ? 189 TRP A CZ2 1 ATOM 864 C CZ3 . TRP A 1 108 ? -28.129 12.763 -12.013 1.00 15.07 ? 189 TRP A CZ3 1 ATOM 865 C CH2 . TRP A 1 108 ? -28.146 12.789 -10.608 1.00 15.12 ? 189 TRP A CH2 1 ATOM 866 N N . LEU A 1 109 ? -30.364 10.150 -16.575 1.00 14.29 ? 190 LEU A N 1 ATOM 867 C CA . LEU A 1 109 ? -29.864 10.169 -17.934 1.00 14.27 ? 190 LEU A CA 1 ATOM 868 C C . LEU A 1 109 ? -28.379 10.486 -17.862 1.00 14.06 ? 190 LEU A C 1 ATOM 869 O O . LEU A 1 109 ? -27.969 11.378 -17.117 1.00 14.07 ? 190 LEU A O 1 ATOM 870 C CB . LEU A 1 109 ? -30.541 11.276 -18.739 1.00 14.41 ? 190 LEU A CB 1 ATOM 871 C CG . LEU A 1 109 ? -29.995 11.520 -20.153 1.00 14.43 ? 190 LEU A CG 1 ATOM 872 C CD1 . LEU A 1 109 ? -30.350 10.351 -21.052 1.00 14.72 ? 190 LEU A CD1 1 ATOM 873 C CD2 . LEU A 1 109 ? -30.523 12.826 -20.734 1.00 14.63 ? 190 LEU A CD2 1 ATOM 874 N N . HIS A 1 110 ? -27.584 9.759 -18.634 1.00 14.16 ? 191 HIS A N 1 ATOM 875 C CA . HIS A 1 110 ? -26.178 10.074 -18.818 1.00 14.03 ? 191 HIS A CA 1 ATOM 876 C C . HIS A 1 110 ? -25.921 10.205 -20.309 1.00 14.04 ? 191 HIS A C 1 ATOM 877 O O . HIS A 1 110 ? -26.361 9.361 -21.095 1.00 13.91 ? 191 HIS A O 1 ATOM 878 C CB . HIS A 1 110 ? -25.287 8.984 -18.221 1.00 14.15 ? 191 HIS A CB 1 ATOM 879 C CG . HIS A 1 110 ? -25.590 8.680 -16.788 1.00 14.44 ? 191 HIS A CG 1 ATOM 880 N ND1 . HIS A 1 110 ? -25.220 9.517 -15.759 1.00 14.66 ? 191 HIS A ND1 1 ATOM 881 C CD2 . HIS A 1 110 ? -26.239 7.640 -16.213 1.00 14.79 ? 191 HIS A CD2 1 ATOM 882 C CE1 . HIS A 1 110 ? -25.620 9.002 -14.609 1.00 14.79 ? 191 HIS A CE1 1 ATOM 883 N NE2 . HIS A 1 110 ? -26.244 7.865 -14.857 1.00 14.81 ? 191 HIS A NE2 1 ATOM 884 N N . VAL A 1 111 ? -25.216 11.274 -20.678 1.00 13.71 ? 192 VAL A N 1 ATOM 885 C CA . VAL A 1 111 ? -24.780 11.518 -22.041 1.00 13.84 ? 192 VAL A CA 1 ATOM 886 C C . VAL A 1 111 ? -23.266 11.360 -22.034 1.00 13.83 ? 192 VAL A C 1 ATOM 887 O O . VAL A 1 111 ? -22.569 12.128 -21.376 1.00 13.70 ? 192 VAL A O 1 ATOM 888 C CB . VAL A 1 111 ? -25.153 12.940 -22.491 1.00 13.89 ? 192 VAL A CB 1 ATOM 889 C CG1 . VAL A 1 111 ? -24.748 13.181 -23.939 1.00 14.04 ? 192 VAL A CG1 1 ATOM 890 C CG2 . VAL A 1 111 ? -26.651 13.174 -22.300 1.00 14.02 ? 192 VAL A CG2 1 ATOM 891 N N . CYS A 1 112 ? -22.776 10.347 -22.745 1.00 14.09 ? 193 CYS A N 1 ATOM 892 C CA . CYS A 1 112 ? -21.382 9.917 -22.650 1.00 14.34 ? 193 CYS A CA 1 ATOM 893 C C . CYS A 1 112 ? -20.755 9.879 -24.031 1.00 14.09 ? 193 CYS A C 1 ATOM 894 O O . CYS A 1 112 ? -21.242 9.168 -24.916 1.00 13.97 ? 193 CYS A O 1 ATOM 895 C CB . CYS A 1 112 ? -21.322 8.528 -22.031 1.00 14.93 ? 193 CYS A CB 1 ATOM 896 S SG . CYS A 1 112 ? -22.188 8.464 -20.449 1.00 16.26 ? 193 CYS A SG 1 ATOM 897 N N . ILE A 1 113 ? -19.687 10.649 -24.217 1.00 13.69 ? 194 ILE A N 1 ATOM 898 C CA . ILE A 1 113 ? -19.046 10.766 -25.517 1.00 13.71 ? 194 ILE A CA 1 ATOM 899 C C . ILE A 1 113 ? -17.637 10.184 -25.461 1.00 13.60 ? 194 ILE A C 1 ATOM 900 O O . ILE A 1 113 ? -16.868 10.514 -24.569 1.00 13.65 ? 194 ILE A O 1 ATOM 901 C CB . ILE A 1 113 ? -18.976 12.229 -25.986 1.00 13.93 ? 194 ILE A CB 1 ATOM 902 C CG1 . ILE A 1 113 ? -20.377 12.863 -25.962 1.00 14.12 ? 194 ILE A CG1 1 ATOM 903 C CG2 . ILE A 1 113 ? -18.366 12.296 -27.381 1.00 14.14 ? 194 ILE A CG2 1 ATOM 904 C CD1 . ILE A 1 113 ? -20.372 14.356 -26.212 1.00 14.22 ? 194 ILE A CD1 1 ATOM 905 N N . THR A 1 114 ? -17.310 9.328 -26.423 1.00 13.51 ? 195 THR A N 1 ATOM 906 C CA . THR A 1 114 ? -15.995 8.693 -26.494 1.00 13.48 ? 195 THR A CA 1 ATOM 907 C C . THR A 1 114 ? -15.653 8.321 -27.943 1.00 13.74 ? 195 THR A C 1 ATOM 908 O O . THR A 1 114 ? -16.459 8.529 -28.855 1.00 14.10 ? 195 THR A O 1 ATOM 909 C CB . THR A 1 114 ? -15.920 7.459 -25.570 1.00 13.29 ? 195 THR A CB 1 ATOM 910 O OG1 . THR A 1 114 ? -14.585 6.932 -25.563 1.00 13.24 ? 195 THR A OG1 1 ATOM 911 C CG2 . THR A 1 114 ? -16.898 6.371 -26.011 1.00 13.44 ? 195 THR A CG2 1 ATOM 912 N N . GLY A 1 115 ? -14.459 7.780 -28.150 1.00 13.92 ? 196 GLY A N 1 ATOM 913 C CA . GLY A 1 115 ? -14.001 7.386 -29.487 1.00 14.28 ? 196 GLY A CA 1 ATOM 914 C C . GLY A 1 115 ? -13.093 8.404 -30.154 1.00 14.62 ? 196 GLY A C 1 ATOM 915 O O . GLY A 1 115 ? -12.598 9.338 -29.509 1.00 14.20 ? 196 GLY A O 1 ATOM 916 N N . ASP A 1 116 ? -12.902 8.225 -31.458 1.00 15.07 ? 197 ASP A N 1 ATOM 917 C CA . ASP A 1 116 ? -11.971 9.029 -32.253 1.00 15.90 ? 197 ASP A CA 1 ATOM 918 C C . ASP A 1 116 ? -12.375 10.504 -32.313 1.00 15.94 ? 197 ASP A C 1 ATOM 919 O O . ASP A 1 116 ? -13.562 10.825 -32.417 1.00 15.62 ? 197 ASP A O 1 ATOM 920 C CB . ASP A 1 116 ? -11.895 8.486 -33.689 1.00 16.48 ? 197 ASP A CB 1 ATOM 921 C CG . ASP A 1 116 ? -11.238 7.113 -33.781 1.00 16.96 ? 197 ASP A CG 1 ATOM 922 O OD1 . ASP A 1 116 ? -10.508 6.709 -32.858 1.00 17.57 ? 197 ASP A OD1 1 ATOM 923 O OD2 . ASP A 1 116 ? -11.452 6.437 -34.805 1.00 17.44 ? 197 ASP A OD2 1 ATOM 924 N N . ASP A 1 117 ? -11.383 11.396 -32.272 1.00 16.34 ? 198 ASP A N 1 ATOM 925 C CA . ASP A 1 117 ? -11.638 12.843 -32.359 1.00 16.76 ? 198 ASP A CA 1 ATOM 926 C C . ASP A 1 117 ? -12.508 13.210 -33.551 1.00 17.18 ? 198 ASP A C 1 ATOM 927 O O . ASP A 1 117 ? -13.427 14.022 -33.425 1.00 17.32 ? 198 ASP A O 1 ATOM 928 C CB . ASP A 1 117 ? -10.331 13.631 -32.496 1.00 17.07 ? 198 ASP A CB 1 ATOM 929 C CG . ASP A 1 117 ? -9.571 13.767 -31.193 1.00 17.27 ? 198 ASP A CG 1 ATOM 930 O OD1 . ASP A 1 117 ? -9.977 13.188 -30.174 1.00 17.37 ? 198 ASP A OD1 1 ATOM 931 O OD2 . ASP A 1 117 ? -8.535 14.466 -31.203 1.00 17.63 ? 198 ASP A OD2 1 ATOM 932 N N . LYS A 1 118 ? -12.210 12.622 -34.708 1.00 17.94 ? 199 LYS A N 1 ATOM 933 C CA . LYS A 1 118 ? -12.908 12.964 -35.950 1.00 18.61 ? 199 LYS A CA 1 ATOM 934 C C . LYS A 1 118 ? -14.189 12.164 -36.183 1.00 17.98 ? 199 LYS A C 1 ATOM 935 O O . LYS A 1 118 ? -14.858 12.365 -37.194 1.00 17.71 ? 199 LYS A O 1 ATOM 936 C CB . LYS A 1 118 ? -11.980 12.792 -37.150 1.00 20.56 ? 199 LYS A CB 1 ATOM 937 C CG . LYS A 1 118 ? -10.747 13.682 -37.087 1.00 22.17 ? 199 LYS A CG 1 ATOM 938 C CD . LYS A 1 118 ? -9.962 13.638 -38.382 1.00 24.25 ? 199 LYS A CD 1 ATOM 939 C CE . LYS A 1 118 ? -8.672 14.435 -38.255 1.00 25.82 ? 199 LYS A CE 1 ATOM 940 N NZ . LYS A 1 118 ? -7.750 14.156 -39.390 1.00 27.65 ? 199 LYS A NZ 1 ATOM 941 N N . ASN A 1 119 ? -14.540 11.267 -35.265 1.00 16.84 ? 200 ASN A N 1 ATOM 942 C CA . ASN A 1 119 ? -15.710 10.408 -35.471 1.00 16.61 ? 200 ASN A CA 1 ATOM 943 C C . ASN A 1 119 ? -16.189 9.819 -34.141 1.00 15.80 ? 200 ASN A C 1 ATOM 944 O O . ASN A 1 119 ? -16.245 8.605 -33.972 1.00 15.39 ? 200 ASN A O 1 ATOM 945 C CB . ASN A 1 119 ? -15.342 9.298 -36.473 1.00 17.00 ? 200 ASN A CB 1 ATOM 946 C CG . ASN A 1 119 ? -16.524 8.792 -37.293 1.00 17.52 ? 200 ASN A CG 1 ATOM 947 O OD1 . ASN A 1 119 ? -17.644 9.295 -37.212 1.00 17.57 ? 200 ASN A OD1 1 ATOM 948 N ND2 . ASN A 1 119 ? -16.251 7.776 -38.107 1.00 18.20 ? 200 ASN A ND2 1 ATOM 949 N N . ALA A 1 120 ? -16.526 10.698 -33.199 1.00 15.29 ? 201 ALA A N 1 ATOM 950 C CA . ALA A 1 120 ? -16.914 10.277 -31.853 1.00 14.96 ? 201 ALA A CA 1 ATOM 951 C C . ALA A 1 120 ? -18.334 9.731 -31.811 1.00 15.00 ? 201 ALA A C 1 ATOM 952 O O . ALA A 1 120 ? -19.117 9.916 -32.743 1.00 14.98 ? 201 ALA A O 1 ATOM 953 C CB . ALA A 1 120 ? -16.774 11.431 -30.872 1.00 14.74 ? 201 ALA A CB 1 ATOM 954 N N . THR A 1 121 ? -18.649 9.056 -30.713 1.00 14.82 ? 202 THR A N 1 ATOM 955 C CA . THR A 1 121 ? -19.987 8.529 -30.474 1.00 14.79 ? 202 THR A CA 1 ATOM 956 C C . THR A 1 121 ? -20.497 9.086 -29.151 1.00 14.51 ? 202 THR A C 1 ATOM 957 O O . THR A 1 121 ? -19.796 9.014 -28.142 1.00 14.20 ? 202 THR A O 1 ATOM 958 C CB . THR A 1 121 ? -19.975 6.991 -30.366 1.00 14.94 ? 202 THR A CB 1 ATOM 959 O OG1 . THR A 1 121 ? -19.451 6.410 -31.568 1.00 15.26 ? 202 THR A OG1 1 ATOM 960 C CG2 . THR A 1 121 ? -21.384 6.451 -30.128 1.00 14.88 ? 202 THR A CG2 1 ATOM 961 N N . ALA A 1 122 ? -21.717 9.622 -29.156 1.00 14.37 ? 203 ALA A N 1 ATOM 962 C CA . ALA A 1 122 ? -22.407 9.958 -27.918 1.00 14.26 ? 203 ALA A CA 1 ATOM 963 C C . ALA A 1 122 ? -23.431 8.867 -27.621 1.00 14.43 ? 203 ALA A C 1 ATOM 964 O O . ALA A 1 122 ? -24.296 8.595 -28.457 1.00 14.57 ? 203 ALA A O 1 ATOM 965 C CB . ALA A 1 122 ? -23.088 11.312 -28.028 1.00 14.43 ? 203 ALA A CB 1 ATOM 966 N N . SER A 1 123 ? -23.317 8.244 -26.448 1.00 14.18 ? 204 SER A N 1 ATOM 967 C CA . SER A 1 123 ? -24.296 7.259 -25.977 1.00 14.38 ? 204 SER A CA 1 ATOM 968 C C . SER A 1 123 ? -25.249 7.929 -24.995 1.00 14.40 ? 204 SER A C 1 ATOM 969 O O . SER A 1 123 ? -24.831 8.759 -24.184 1.00 14.28 ? 204 SER A O 1 ATOM 970 C CB . SER A 1 123 ? -23.599 6.082 -25.285 1.00 14.17 ? 204 SER A CB 1 ATOM 971 O OG . SER A 1 123 ? -22.806 5.328 -26.189 1.00 14.02 ? 204 SER A OG 1 ATOM 972 N N . PHE A 1 124 ? -26.526 7.558 -25.073 1.00 14.67 ? 205 PHE A N 1 ATOM 973 C CA . PHE A 1 124 ? -27.547 8.061 -24.168 1.00 14.87 ? 205 PHE A CA 1 ATOM 974 C C . PHE A 1 124 ? -28.073 6.897 -23.337 1.00 15.04 ? 205 PHE A C 1 ATOM 975 O O . PHE A 1 124 ? -28.702 5.968 -23.862 1.00 14.89 ? 205 PHE A O 1 ATOM 976 C CB . PHE A 1 124 ? -28.664 8.756 -24.958 1.00 15.08 ? 205 PHE A CB 1 ATOM 977 C CG . PHE A 1 124 ? -28.169 9.928 -25.754 1.00 15.27 ? 205 PHE A CG 1 ATOM 978 C CD1 . PHE A 1 124 ? -27.574 9.736 -26.995 1.00 15.33 ? 205 PHE A CD1 1 ATOM 979 C CD2 . PHE A 1 124 ? -28.239 11.213 -25.240 1.00 15.28 ? 205 PHE A CD2 1 ATOM 980 C CE1 . PHE A 1 124 ? -27.085 10.809 -27.718 1.00 15.53 ? 205 PHE A CE1 1 ATOM 981 C CE2 . PHE A 1 124 ? -27.753 12.290 -25.963 1.00 15.45 ? 205 PHE A CE2 1 ATOM 982 C CZ . PHE A 1 124 ? -27.176 12.087 -27.201 1.00 15.48 ? 205 PHE A CZ 1 ATOM 983 N N . ILE A 1 125 ? -27.777 6.954 -22.040 1.00 14.93 ? 206 ILE A N 1 ATOM 984 C CA . ILE A 1 125 ? -28.080 5.889 -21.107 1.00 15.00 ? 206 ILE A CA 1 ATOM 985 C C . ILE A 1 125 ? -29.106 6.418 -20.113 1.00 15.41 ? 206 ILE A C 1 ATOM 986 O O . ILE A 1 125 ? -28.866 7.427 -19.449 1.00 15.30 ? 206 ILE A O 1 ATOM 987 C CB . ILE A 1 125 ? -26.800 5.427 -20.379 1.00 15.10 ? 206 ILE A CB 1 ATOM 988 C CG1 . ILE A 1 125 ? -25.838 4.762 -21.376 1.00 15.38 ? 206 ILE A CG1 1 ATOM 989 C CG2 . ILE A 1 125 ? -27.134 4.468 -19.244 1.00 15.10 ? 206 ILE A CG2 1 ATOM 990 C CD1 . ILE A 1 125 ? -24.423 4.632 -20.866 1.00 15.55 ? 206 ILE A CD1 1 ATOM 991 N N . TYR A 1 126 ? -30.256 5.747 -20.040 1.00 15.46 ? 207 TYR A N 1 ATOM 992 C CA . TYR A 1 126 ? -31.355 6.170 -19.181 1.00 15.85 ? 207 TYR A CA 1 ATOM 993 C C . TYR A 1 126 ? -31.864 4.986 -18.376 1.00 16.08 ? 207 TYR A C 1 ATOM 994 O O . TYR A 1 126 ? -32.114 3.913 -18.930 1.00 15.77 ? 207 TYR A O 1 ATOM 995 C CB . TYR A 1 126 ? -32.497 6.745 -20.019 1.00 15.99 ? 207 TYR A CB 1 ATOM 996 C CG . TYR A 1 126 ? -33.689 7.208 -19.201 1.00 16.37 ? 207 TYR A CG 1 ATOM 997 C CD1 . TYR A 1 126 ? -33.683 8.449 -18.576 1.00 16.28 ? 207 TYR A CD1 1 ATOM 998 C CD2 . TYR A 1 126 ? -34.819 6.404 -19.054 1.00 16.62 ? 207 TYR A CD2 1 ATOM 999 C CE1 . TYR A 1 126 ? -34.768 8.880 -17.822 1.00 16.61 ? 207 TYR A CE1 1 ATOM 1000 C CE2 . TYR A 1 126 ? -35.905 6.824 -18.298 1.00 16.67 ? 207 TYR A CE2 1 ATOM 1001 C CZ . TYR A 1 126 ? -35.876 8.062 -17.686 1.00 16.75 ? 207 TYR A CZ 1 ATOM 1002 O OH . TYR A 1 126 ? -36.964 8.491 -16.942 1.00 17.14 ? 207 TYR A OH 1 ATOM 1003 N N . ASP A 1 127 ? -32.022 5.187 -17.072 1.00 16.82 ? 208 ASP A N 1 ATOM 1004 C CA . ASP A 1 127 ? -32.536 4.148 -16.186 1.00 18.10 ? 208 ASP A CA 1 ATOM 1005 C C . ASP A 1 127 ? -31.749 2.845 -16.356 1.00 18.09 ? 208 ASP A C 1 ATOM 1006 O O . ASP A 1 127 ? -32.328 1.757 -16.415 1.00 18.44 ? 208 ASP A O 1 ATOM 1007 C CB . ASP A 1 127 ? -34.032 3.910 -16.445 1.00 19.30 ? 208 ASP A CB 1 ATOM 1008 C CG . ASP A 1 127 ? -34.690 3.045 -15.370 1.00 20.71 ? 208 ASP A CG 1 ATOM 1009 O OD1 . ASP A 1 127 ? -34.187 3.020 -14.233 1.00 21.25 ? 208 ASP A OD1 1 ATOM 1010 O OD2 . ASP A 1 127 ? -35.696 2.377 -15.676 1.00 22.32 ? 208 ASP A OD2 1 ATOM 1011 N N . GLY A 1 128 ? -30.430 2.972 -16.450 1.00 17.78 ? 209 GLY A N 1 ATOM 1012 C CA . GLY A 1 128 ? -29.539 1.818 -16.474 1.00 18.12 ? 209 GLY A CA 1 ATOM 1013 C C . GLY A 1 128 ? -29.407 1.087 -17.800 1.00 18.04 ? 209 GLY A C 1 ATOM 1014 O O . GLY A 1 128 ? -28.808 0.014 -17.848 1.00 18.42 ? 209 GLY A O 1 ATOM 1015 N N . ARG A 1 129 ? -29.943 1.646 -18.882 1.00 17.76 ? 210 ARG A N 1 ATOM 1016 C CA . ARG A 1 129 ? -29.793 1.005 -20.186 1.00 17.83 ? 210 ARG A CA 1 ATOM 1017 C C . ARG A 1 129 ? -29.507 2.005 -21.295 1.00 17.16 ? 210 ARG A C 1 ATOM 1018 O O . ARG A 1 129 ? -29.894 3.172 -21.223 1.00 16.40 ? 210 ARG A O 1 ATOM 1019 C CB . ARG A 1 129 ? -31.022 0.140 -20.517 1.00 19.01 ? 210 ARG A CB 1 ATOM 1020 C CG . ARG A 1 129 ? -32.300 0.911 -20.768 1.00 20.04 ? 210 ARG A CG 1 ATOM 1021 C CD . ARG A 1 129 ? -33.520 0.120 -20.315 1.00 21.45 ? 210 ARG A CD 1 ATOM 1022 N NE . ARG A 1 129 ? -33.568 0.055 -18.853 1.00 22.54 ? 210 ARG A NE 1 ATOM 1023 C CZ . ARG A 1 129 ? -33.762 -1.045 -18.122 1.00 23.46 ? 210 ARG A CZ 1 ATOM 1024 N NH1 . ARG A 1 129 ? -33.969 -2.232 -18.687 1.00 23.90 ? 210 ARG A NH1 1 ATOM 1025 N NH2 . ARG A 1 129 ? -33.763 -0.947 -16.796 1.00 24.11 ? 210 ARG A NH2 1 ATOM 1026 N N . LEU A 1 130 ? -28.792 1.538 -22.313 1.00 16.87 ? 211 LEU A N 1 ATOM 1027 C CA . LEU A 1 130 ? -28.503 2.358 -23.478 1.00 17.01 ? 211 LEU A CA 1 ATOM 1028 C C . LEU A 1 130 ? -29.753 2.461 -24.321 1.00 16.94 ? 211 LEU A C 1 ATOM 1029 O O . LEU A 1 130 ? -30.289 1.444 -24.748 1.00 17.20 ? 211 LEU A O 1 ATOM 1030 C CB . LEU A 1 130 ? -27.391 1.744 -24.310 1.00 17.30 ? 211 LEU A CB 1 ATOM 1031 C CG . LEU A 1 130 ? -26.850 2.724 -25.354 1.00 17.96 ? 211 LEU A CG 1 ATOM 1032 C CD1 . LEU A 1 130 ? -25.338 2.705 -25.331 1.00 18.16 ? 211 LEU A CD1 1 ATOM 1033 C CD2 . LEU A 1 130 ? -27.381 2.419 -26.746 1.00 18.40 ? 211 LEU A CD2 1 ATOM 1034 N N . VAL A 1 131 ? -30.215 3.687 -24.548 1.00 16.91 ? 212 VAL A N 1 ATOM 1035 C CA . VAL A 1 131 ? -31.458 3.930 -25.286 1.00 16.94 ? 212 VAL A CA 1 ATOM 1036 C C . VAL A 1 131 ? -31.213 4.530 -26.675 1.00 16.91 ? 212 VAL A C 1 ATOM 1037 O O . VAL A 1 131 ? -32.002 4.319 -27.585 1.00 17.42 ? 212 VAL A O 1 ATOM 1038 C CB . VAL A 1 131 ? -32.401 4.846 -24.480 1.00 17.07 ? 212 VAL A CB 1 ATOM 1039 C CG1 . VAL A 1 131 ? -33.693 5.102 -25.247 1.00 17.44 ? 212 VAL A CG1 1 ATOM 1040 C CG2 . VAL A 1 131 ? -32.695 4.221 -23.123 1.00 17.12 ? 212 VAL A CG2 1 ATOM 1041 N N . ASP A 1 132 ? -30.130 5.280 -26.843 1.00 16.30 ? 213 ASP A N 1 ATOM 1042 C CA . ASP A 1 132 ? -29.873 5.942 -28.113 1.00 16.12 ? 213 ASP A CA 1 ATOM 1043 C C . ASP A 1 132 ? -28.399 6.272 -28.255 1.00 15.57 ? 213 ASP A C 1 ATOM 1044 O O . ASP A 1 132 ? -27.625 6.146 -27.295 1.00 15.06 ? 213 ASP A O 1 ATOM 1045 C CB . ASP A 1 132 ? -30.709 7.226 -28.221 1.00 16.51 ? 213 ASP A CB 1 ATOM 1046 C CG . ASP A 1 132 ? -31.165 7.520 -29.641 1.00 17.09 ? 213 ASP A CG 1 ATOM 1047 O OD1 . ASP A 1 132 ? -30.586 6.951 -30.597 1.00 17.27 ? 213 ASP A OD1 1 ATOM 1048 O OD2 . ASP A 1 132 ? -32.109 8.328 -29.799 1.00 17.21 ? 213 ASP A OD2 1 ATOM 1049 N N . SER A 1 133 ? -28.019 6.657 -29.467 1.00 15.28 ? 214 SER A N 1 ATOM 1050 C CA . SER A 1 133 ? -26.683 7.164 -29.739 1.00 15.24 ? 214 SER A CA 1 ATOM 1051 C C . SER A 1 133 ? -26.695 8.036 -30.983 1.00 15.57 ? 214 SER A C 1 ATOM 1052 O O . SER A 1 133 ? -27.557 7.886 -31.857 1.00 15.60 ? 214 SER A O 1 ATOM 1053 C CB . SER A 1 133 ? -25.683 6.017 -29.911 1.00 15.15 ? 214 SER A CB 1 ATOM 1054 O OG . SER A 1 133 ? -25.982 5.233 -31.049 1.00 15.35 ? 214 SER A OG 1 ATOM 1055 N N . ILE A 1 134 ? -25.741 8.954 -31.053 1.00 15.63 ? 215 ILE A N 1 ATOM 1056 C CA . ILE A 1 134 ? -25.557 9.767 -32.239 1.00 16.12 ? 215 ILE A CA 1 ATOM 1057 C C . ILE A 1 134 ? -24.068 9.894 -32.525 1.00 16.11 ? 215 ILE A C 1 ATOM 1058 O O . ILE A 1 134 ? -23.245 9.943 -31.601 1.00 15.69 ? 215 ILE A O 1 ATOM 1059 C CB . ILE A 1 134 ? -26.232 11.154 -32.093 1.00 16.50 ? 215 ILE A CB 1 ATOM 1060 C CG1 . ILE A 1 134 ? -26.342 11.849 -33.452 1.00 17.30 ? 215 ILE A CG1 1 ATOM 1061 C CG2 . ILE A 1 134 ? -25.501 12.025 -31.079 1.00 16.33 ? 215 ILE A CG2 1 ATOM 1062 C CD1 . ILE A 1 134 ? -27.284 13.040 -33.453 1.00 17.75 ? 215 ILE A CD1 1 ATOM 1063 N N . GLY A 1 135 ? -23.728 9.914 -33.808 1.00 16.17 ? 216 GLY A N 1 ATOM 1064 C CA . GLY A 1 135 ? -22.354 10.122 -34.233 1.00 16.35 ? 216 GLY A CA 1 ATOM 1065 C C . GLY A 1 135 ? -22.053 11.587 -34.489 1.00 16.61 ? 216 GLY A C 1 ATOM 1066 O O . GLY A 1 135 ? -22.954 12.414 -34.595 1.00 17.16 ? 216 GLY A O 1 ATOM 1067 N N . SER A 1 136 ? -20.764 11.887 -34.576 1.00 16.83 ? 217 SER A N 1 ATOM 1068 C CA . SER A 1 136 ? -20.246 13.225 -34.879 1.00 16.88 ? 217 SER A CA 1 ATOM 1069 C C . SER A 1 136 ? -20.875 13.789 -36.153 1.00 17.58 ? 217 SER A C 1 ATOM 1070 O O . SER A 1 136 ? -20.932 13.095 -37.177 1.00 17.77 ? 217 SER A O 1 ATOM 1071 C CB . SER A 1 136 ? -18.726 13.125 -35.043 1.00 16.91 ? 217 SER A CB 1 ATOM 1072 O OG . SER A 1 136 ? -18.105 14.379 -35.268 1.00 16.73 ? 217 SER A OG 1 ATOM 1073 N N . TRP A 1 137 ? -21.365 15.030 -36.090 1.00 17.69 ? 218 TRP A N 1 ATOM 1074 C CA . TRP A 1 137 ? -21.931 15.697 -37.276 1.00 18.33 ? 218 TRP A CA 1 ATOM 1075 C C . TRP A 1 137 ? -20.952 16.620 -38.009 1.00 18.82 ? 218 TRP A C 1 ATOM 1076 O O . TRP A 1 137 ? -21.203 16.986 -39.158 1.00 19.56 ? 218 TRP A O 1 ATOM 1077 C CB . TRP A 1 137 ? -23.241 16.440 -36.953 1.00 18.16 ? 218 TRP A CB 1 ATOM 1078 C CG . TRP A 1 137 ? -23.196 17.391 -35.783 1.00 17.90 ? 218 TRP A CG 1 ATOM 1079 C CD1 . TRP A 1 137 ? -22.678 18.651 -35.764 1.00 17.79 ? 218 TRP A CD1 1 ATOM 1080 C CD2 . TRP A 1 137 ? -23.726 17.154 -34.476 1.00 17.42 ? 218 TRP A CD2 1 ATOM 1081 N NE1 . TRP A 1 137 ? -22.846 19.215 -34.517 1.00 17.64 ? 218 TRP A NE1 1 ATOM 1082 C CE2 . TRP A 1 137 ? -23.484 18.313 -33.708 1.00 17.48 ? 218 TRP A CE2 1 ATOM 1083 C CE3 . TRP A 1 137 ? -24.386 16.074 -33.880 1.00 17.47 ? 218 TRP A CE3 1 ATOM 1084 C CZ2 . TRP A 1 137 ? -23.882 18.421 -32.369 1.00 17.25 ? 218 TRP A CZ2 1 ATOM 1085 C CZ3 . TRP A 1 137 ? -24.776 16.177 -32.555 1.00 17.33 ? 218 TRP A CZ3 1 ATOM 1086 C CH2 . TRP A 1 137 ? -24.521 17.344 -31.812 1.00 17.19 ? 218 TRP A CH2 1 ATOM 1087 N N . SER A 1 138 ? -19.845 16.990 -37.361 1.00 18.71 ? 219 SER A N 1 ATOM 1088 C CA . SER A 1 138 ? -18.824 17.857 -37.975 1.00 19.11 ? 219 SER A CA 1 ATOM 1089 C C . SER A 1 138 ? -17.413 17.276 -37.945 1.00 18.67 ? 219 SER A C 1 ATOM 1090 O O . SER A 1 138 ? -16.465 17.938 -38.363 1.00 18.49 ? 219 SER A O 1 ATOM 1091 C CB . SER A 1 138 ? -18.810 19.233 -37.304 1.00 19.49 ? 219 SER A CB 1 ATOM 1092 O OG . SER A 1 138 ? -20.044 19.890 -37.503 1.00 20.32 ? 219 SER A OG 1 ATOM 1093 N N . GLN A 1 139 ? -17.276 16.046 -37.458 1.00 18.47 ? 220 GLN A N 1 ATOM 1094 C CA . GLN A 1 139 ? -16.012 15.317 -37.510 1.00 18.30 ? 220 GLN A CA 1 ATOM 1095 C C . GLN A 1 139 ? -14.876 16.058 -36.810 1.00 18.03 ? 220 GLN A C 1 ATOM 1096 O O . GLN A 1 139 ? -13.740 16.037 -37.266 1.00 17.89 ? 220 GLN A O 1 ATOM 1097 C CB . GLN A 1 139 ? -15.636 14.984 -38.967 1.00 19.04 ? 220 GLN A CB 1 ATOM 1098 C CG . GLN A 1 139 ? -16.650 14.097 -39.682 1.00 19.52 ? 220 GLN A CG 1 ATOM 1099 C CD . GLN A 1 139 ? -17.919 14.836 -40.088 1.00 20.19 ? 220 GLN A CD 1 ATOM 1100 O OE1 . GLN A 1 139 ? -17.861 15.931 -40.638 1.00 20.86 ? 220 GLN A OE1 1 ATOM 1101 N NE2 . GLN A 1 139 ? -19.073 14.231 -39.824 1.00 20.85 ? 220 GLN A NE2 1 ATOM 1102 N N . ASN A 1 140 ? -15.187 16.704 -35.691 1.00 17.52 ? 221 ASN A N 1 ATOM 1103 C CA . ASN A 1 140 ? -14.186 17.474 -34.967 1.00 17.40 ? 221 ASN A CA 1 ATOM 1104 C C . ASN A 1 140 ? -14.539 17.622 -33.485 1.00 16.59 ? 221 ASN A C 1 ATOM 1105 O O . ASN A 1 140 ? -14.939 18.695 -33.009 1.00 16.50 ? 221 ASN A O 1 ATOM 1106 C CB . ASN A 1 140 ? -13.986 18.830 -35.644 1.00 17.82 ? 221 ASN A CB 1 ATOM 1107 C CG . ASN A 1 140 ? -12.766 19.568 -35.128 1.00 18.31 ? 221 ASN A CG 1 ATOM 1108 O OD1 . ASN A 1 140 ? -12.050 19.080 -34.249 1.00 18.35 ? 221 ASN A OD1 1 ATOM 1109 N ND2 . ASN A 1 140 ? -12.534 20.762 -35.660 1.00 18.61 ? 221 ASN A ND2 1 ATOM 1110 N N . ILE A 1 141 ? -14.393 16.504 -32.780 1.00 16.19 ? 222 ILE A N 1 ATOM 1111 C CA . ILE A 1 141 ? -14.558 16.412 -31.323 1.00 15.58 ? 222 ILE A CA 1 ATOM 1112 C C . ILE A 1 141 ? -15.970 16.783 -30.864 1.00 15.34 ? 222 ILE A C 1 ATOM 1113 O O . ILE A 1 141 ? -16.191 17.810 -30.230 1.00 15.00 ? 222 ILE A O 1 ATOM 1114 C CB . ILE A 1 141 ? -13.482 17.225 -30.564 1.00 15.59 ? 222 ILE A CB 1 ATOM 1115 C CG1 . ILE A 1 141 ? -12.086 16.914 -31.132 1.00 15.92 ? 222 ILE A CG1 1 ATOM 1116 C CG2 . ILE A 1 141 ? -13.524 16.891 -29.073 1.00 15.33 ? 222 ILE A CG2 1 ATOM 1117 C CD1 . ILE A 1 141 ? -10.991 17.861 -30.697 1.00 16.04 ? 222 ILE A CD1 1 ATOM 1118 N N . LEU A 1 142 ? -16.926 15.924 -31.198 1.00 15.26 ? 223 LEU A N 1 ATOM 1119 C CA . LEU A 1 142 ? -18.260 16.005 -30.631 1.00 15.12 ? 223 LEU A CA 1 ATOM 1120 C C . LEU A 1 142 ? -18.108 16.092 -29.112 1.00 14.72 ? 223 LEU A C 1 ATOM 1121 O O . LEU A 1 142 ? -17.360 15.323 -28.520 1.00 14.91 ? 223 LEU A O 1 ATOM 1122 C CB . LEU A 1 142 ? -19.068 14.763 -31.017 1.00 15.30 ? 223 LEU A CB 1 ATOM 1123 C CG . LEU A 1 142 ? -20.519 14.717 -30.549 1.00 15.43 ? 223 LEU A CG 1 ATOM 1124 C CD1 . LEU A 1 142 ? -21.307 15.870 -31.159 1.00 15.93 ? 223 LEU A CD1 1 ATOM 1125 C CD2 . LEU A 1 142 ? -21.143 13.372 -30.901 1.00 15.45 ? 223 LEU A CD2 1 ATOM 1126 N N . ARG A 1 143 ? -18.792 17.037 -28.484 1.00 14.67 ? 224 ARG A N 1 ATOM 1127 C CA . ARG A 1 143 ? -18.546 17.330 -27.072 1.00 14.59 ? 224 ARG A CA 1 ATOM 1128 C C . ARG A 1 143 ? -19.744 18.011 -26.418 1.00 14.44 ? 224 ARG A C 1 ATOM 1129 O O . ARG A 1 143 ? -20.605 18.546 -27.113 1.00 14.61 ? 224 ARG A O 1 ATOM 1130 C CB . ARG A 1 143 ? -17.279 18.179 -26.929 1.00 14.48 ? 224 ARG A CB 1 ATOM 1131 C CG . ARG A 1 143 ? -17.278 19.487 -27.718 1.00 14.82 ? 224 ARG A CG 1 ATOM 1132 C CD . ARG A 1 143 ? -15.885 20.082 -27.755 1.00 14.90 ? 224 ARG A CD 1 ATOM 1133 N NE . ARG A 1 143 ? -15.801 21.363 -28.451 1.00 15.16 ? 224 ARG A NE 1 ATOM 1134 C CZ . ARG A 1 143 ? -15.629 21.531 -29.763 1.00 15.42 ? 224 ARG A CZ 1 ATOM 1135 N NH1 . ARG A 1 143 ? -15.544 22.759 -30.257 1.00 15.65 ? 224 ARG A NH1 1 ATOM 1136 N NH2 . ARG A 1 143 ? -15.547 20.493 -30.594 1.00 15.57 ? 224 ARG A NH2 1 ATOM 1137 N N . THR A 1 144 ? -19.805 17.972 -25.085 1.00 14.36 ? 225 THR A N 1 ATOM 1138 C CA . THR A 1 144 ? -20.981 18.468 -24.366 1.00 14.47 ? 225 THR A CA 1 ATOM 1139 C C . THR A 1 144 ? -20.618 19.225 -23.068 1.00 14.41 ? 225 THR A C 1 ATOM 1140 O O . THR A 1 144 ? -19.504 19.739 -22.926 1.00 14.44 ? 225 THR A O 1 ATOM 1141 C CB . THR A 1 144 ? -22.020 17.328 -24.163 1.00 14.43 ? 225 THR A CB 1 ATOM 1142 O OG1 . THR A 1 144 ? -23.276 17.869 -23.722 1.00 14.87 ? 225 THR A OG1 1 ATOM 1143 C CG2 . THR A 1 144 ? -21.533 16.264 -23.185 1.00 14.26 ? 225 THR A CG2 1 ATOM 1144 N N . GLN A 1 145 ? -21.569 19.319 -22.149 1.00 14.26 ? 226 GLN A N 1 ATOM 1145 C CA . GLN A 1 145 ? -21.542 20.348 -21.099 1.00 14.42 ? 226 GLN A CA 1 ATOM 1146 C C . GLN A 1 145 ? -20.457 20.222 -20.017 1.00 14.41 ? 226 GLN A C 1 ATOM 1147 O O . GLN A 1 145 ? -19.935 21.238 -19.539 1.00 14.38 ? 226 GLN A O 1 ATOM 1148 C CB . GLN A 1 145 ? -22.927 20.424 -20.445 1.00 14.39 ? 226 GLN A CB 1 ATOM 1149 C CG . GLN A 1 145 ? -23.990 20.943 -21.411 1.00 14.69 ? 226 GLN A CG 1 ATOM 1150 C CD . GLN A 1 145 ? -25.395 20.955 -20.838 1.00 14.99 ? 226 GLN A CD 1 ATOM 1151 O OE1 . GLN A 1 145 ? -26.372 21.022 -21.586 1.00 15.40 ? 226 GLN A OE1 1 ATOM 1152 N NE2 . GLN A 1 145 ? -25.507 20.914 -19.512 1.00 14.82 ? 226 GLN A NE2 1 ATOM 1153 N N . GLU A 1 146 ? -20.131 18.992 -19.632 1.00 14.33 ? 227 GLU A N 1 ATOM 1154 C CA . GLU A 1 146 ? -19.330 18.717 -18.423 1.00 14.55 ? 227 GLU A CA 1 ATOM 1155 C C . GLU A 1 146 ? -20.010 19.259 -17.151 1.00 14.26 ? 227 GLU A C 1 ATOM 1156 O O . GLU A 1 146 ? -19.349 19.590 -16.175 1.00 14.06 ? 227 GLU A O 1 ATOM 1157 C CB . GLU A 1 146 ? -17.894 19.263 -18.539 1.00 15.01 ? 227 GLU A CB 1 ATOM 1158 C CG . GLU A 1 146 ? -17.289 19.263 -19.936 1.00 15.77 ? 227 GLU A CG 1 ATOM 1159 C CD . GLU A 1 146 ? -17.135 17.887 -20.563 1.00 16.42 ? 227 GLU A CD 1 ATOM 1160 O OE1 . GLU A 1 146 ? -17.548 16.867 -19.961 1.00 16.00 ? 227 GLU A OE1 1 ATOM 1161 O OE2 . GLU A 1 146 ? -16.580 17.835 -21.690 1.00 17.52 ? 227 GLU A OE2 1 ATOM 1162 N N . SER A 1 147 ? -21.337 19.349 -17.178 1.00 14.09 ? 228 SER A N 1 ATOM 1163 C CA . SER A 1 147 ? -22.136 19.634 -15.990 1.00 14.10 ? 228 SER A CA 1 ATOM 1164 C C . SER A 1 147 ? -23.563 19.144 -16.249 1.00 14.11 ? 228 SER A C 1 ATOM 1165 O O . SER A 1 147 ? -23.837 18.572 -17.309 1.00 14.20 ? 228 SER A O 1 ATOM 1166 C CB . SER A 1 147 ? -22.104 21.116 -15.606 1.00 14.35 ? 228 SER A CB 1 ATOM 1167 O OG . SER A 1 147 ? -22.618 21.956 -16.624 1.00 14.33 ? 228 SER A OG 1 ATOM 1168 N N . GLU A 1 148 ? -24.466 19.343 -15.294 1.00 14.33 ? 229 GLU A N 1 ATOM 1169 C CA . GLU A 1 148 ? -25.768 18.686 -15.366 1.00 14.41 ? 229 GLU A CA 1 ATOM 1170 C C . GLU A 1 148 ? -26.637 19.188 -16.511 1.00 14.83 ? 229 GLU A C 1 ATOM 1171 O O . GLU A 1 148 ? -26.644 20.377 -16.822 1.00 15.14 ? 229 GLU A O 1 ATOM 1172 C CB . GLU A 1 148 ? -26.532 18.786 -14.033 1.00 14.55 ? 229 GLU A CB 1 ATOM 1173 C CG . GLU A 1 148 ? -27.198 20.128 -13.738 1.00 14.60 ? 229 GLU A CG 1 ATOM 1174 C CD . GLU A 1 148 ? -28.100 20.086 -12.505 1.00 14.73 ? 229 GLU A CD 1 ATOM 1175 O OE1 . GLU A 1 148 ? -28.680 21.133 -12.168 1.00 14.72 ? 229 GLU A OE1 1 ATOM 1176 O OE2 . GLU A 1 148 ? -28.233 19.017 -11.865 1.00 14.94 ? 229 GLU A OE2 1 ATOM 1177 N N . CYS A 1 149 ? -27.359 18.265 -17.142 1.00 14.89 ? 230 CYS A N 1 ATOM 1178 C CA . CYS A 1 149 ? -28.417 18.630 -18.069 1.00 15.34 ? 230 CYS A CA 1 ATOM 1179 C C . CYS A 1 149 ? -29.667 18.967 -17.250 1.00 14.96 ? 230 CYS A C 1 ATOM 1180 O O . CYS A 1 149 ? -29.632 18.941 -16.018 1.00 14.52 ? 230 CYS A O 1 ATOM 1181 C CB . CYS A 1 149 ? -28.663 17.524 -19.111 1.00 15.81 ? 230 CYS A CB 1 ATOM 1182 S SG . CYS A 1 149 ? -28.515 15.826 -18.535 1.00 16.50 ? 230 CYS A SG 1 ATOM 1183 N N . VAL A 1 150 ? -30.763 19.308 -17.919 1.00 15.24 ? 231 VAL A N 1 ATOM 1184 C CA . VAL A 1 150 ? -31.958 19.771 -17.223 1.00 15.49 ? 231 VAL A CA 1 ATOM 1185 C C . VAL A 1 150 ? -33.188 19.142 -17.867 1.00 15.91 ? 231 VAL A C 1 ATOM 1186 O O . VAL A 1 150 ? -33.295 19.097 -19.094 1.00 15.53 ? 231 VAL A O 1 ATOM 1187 C CB . VAL A 1 150 ? -32.065 21.309 -17.263 1.00 15.75 ? 231 VAL A CB 1 ATOM 1188 C CG1 . VAL A 1 150 ? -33.328 21.781 -16.550 1.00 16.12 ? 231 VAL A CG1 1 ATOM 1189 C CG2 . VAL A 1 150 ? -30.822 21.944 -16.649 1.00 15.54 ? 231 VAL A CG2 1 ATOM 1190 N N . CYS A 1 151 ? -34.084 18.634 -17.027 1.00 16.40 ? 232 CYS A N 1 ATOM 1191 C CA . CYS A 1 151 ? -35.295 17.964 -17.479 1.00 17.24 ? 232 CYS A CA 1 ATOM 1192 C C . CYS A 1 151 ? -36.525 18.661 -16.931 1.00 17.68 ? 232 CYS A C 1 ATOM 1193 O O . CYS A 1 151 ? -36.566 19.000 -15.752 1.00 17.26 ? 232 CYS A O 1 ATOM 1194 C CB . CYS A 1 151 ? -35.316 16.507 -17.014 1.00 17.70 ? 232 CYS A CB 1 ATOM 1195 S SG . CYS A 1 151 ? -33.777 15.591 -17.279 1.00 18.12 ? 232 CYS A SG 1 ATOM 1196 N N . ILE A 1 152 ? -37.515 18.865 -17.797 1.00 18.18 ? 233 ILE A N 1 ATOM 1197 C CA . ILE A 1 152 ? -38.818 19.390 -17.393 1.00 18.95 ? 233 ILE A CA 1 ATOM 1198 C C . ILE A 1 152 ? -39.909 18.502 -17.990 1.00 19.69 ? 233 ILE A C 1 ATOM 1199 O O . ILE A 1 152 ? -39.931 18.266 -19.198 1.00 19.60 ? 233 ILE A O 1 ATOM 1200 C CB . ILE A 1 152 ? -39.021 20.841 -17.864 1.00 19.20 ? 233 ILE A CB 1 ATOM 1201 C CG1 . ILE A 1 152 ? -38.025 21.766 -17.163 1.00 19.10 ? 233 ILE A CG1 1 ATOM 1202 C CG2 . ILE A 1 152 ? -40.454 21.298 -17.596 1.00 19.61 ? 233 ILE A CG2 1 ATOM 1203 C CD1 . ILE A 1 152 ? -38.095 23.207 -17.623 1.00 19.28 ? 233 ILE A CD1 1 ATOM 1204 N N . ASN A 1 153 ? -40.792 18.006 -17.128 1.00 20.65 ? 234 ASN A N 1 ATOM 1205 C CA . ASN A 1 153 ? -41.906 17.151 -17.521 1.00 22.04 ? 234 ASN A CA 1 ATOM 1206 C C . ASN A 1 153 ? -41.482 15.962 -18.392 1.00 21.65 ? 234 ASN A C 1 ATOM 1207 O O . ASN A 1 153 ? -42.164 15.595 -19.340 1.00 22.12 ? 234 ASN A O 1 ATOM 1208 C CB . ASN A 1 153 ? -42.994 17.982 -18.215 1.00 23.88 ? 234 ASN A CB 1 ATOM 1209 C CG . ASN A 1 153 ? -44.345 17.281 -18.230 1.00 26.03 ? 234 ASN A CG 1 ATOM 1210 O OD1 . ASN A 1 153 ? -44.627 16.413 -17.391 1.00 26.90 ? 234 ASN A OD1 1 ATOM 1211 N ND2 . ASN A 1 153 ? -45.188 17.650 -19.189 1.00 27.82 ? 234 ASN A ND2 1 ATOM 1212 N N . GLY A 1 154 ? -40.347 15.362 -18.056 1.00 20.76 ? 235 GLY A N 1 ATOM 1213 C CA . GLY A 1 154 ? -39.873 14.163 -18.746 1.00 20.68 ? 235 GLY A CA 1 ATOM 1214 C C . GLY A 1 154 ? -39.040 14.394 -19.996 1.00 20.20 ? 235 GLY A C 1 ATOM 1215 O O . GLY A 1 154 ? -38.573 13.434 -20.603 1.00 20.37 ? 235 GLY A O 1 ATOM 1216 N N . THR A 1 155 ? -38.857 15.650 -20.395 1.00 19.88 ? 236 THR A N 1 ATOM 1217 C CA . THR A 1 155 ? -37.983 15.975 -21.519 1.00 19.54 ? 236 THR A CA 1 ATOM 1218 C C . THR A 1 155 ? -36.705 16.602 -20.979 1.00 18.55 ? 236 THR A C 1 ATOM 1219 O O . THR A 1 155 ? -36.748 17.623 -20.312 1.00 18.09 ? 236 THR A O 1 ATOM 1220 C CB . THR A 1 155 ? -38.649 16.945 -22.515 1.00 20.28 ? 236 THR A CB 1 ATOM 1221 O OG1 . THR A 1 155 ? -39.884 16.388 -22.988 1.00 20.75 ? 236 THR A OG1 1 ATOM 1222 C CG2 . THR A 1 155 ? -37.739 17.196 -23.709 1.00 20.16 ? 236 THR A CG2 1 ATOM 1223 N N . CYS A 1 156 ? -35.575 15.976 -21.271 1.00 18.29 ? 237 CYS A N 1 ATOM 1224 C CA . CYS A 1 156 ? -34.275 16.499 -20.858 1.00 17.86 ? 237 CYS A CA 1 ATOM 1225 C C . CYS A 1 156 ? -33.605 17.170 -22.044 1.00 17.54 ? 237 CYS A C 1 ATOM 1226 O O . CYS A 1 156 ? -33.727 16.711 -23.178 1.00 17.65 ? 237 CYS A O 1 ATOM 1227 C CB . CYS A 1 156 ? -33.390 15.383 -20.313 1.00 18.20 ? 237 CYS A CB 1 ATOM 1228 S SG . CYS A 1 156 ? -34.105 14.438 -18.945 1.00 18.77 ? 237 CYS A SG 1 ATOM 1229 N N . THR A 1 157 ? -32.901 18.265 -21.782 1.00 16.88 ? 238 THR A N 1 ATOM 1230 C CA . THR A 1 157 ? -32.194 18.968 -22.830 1.00 16.87 ? 238 THR A CA 1 ATOM 1231 C C . THR A 1 157 ? -30.710 19.018 -22.492 1.00 16.27 ? 238 THR A C 1 ATOM 1232 O O . THR A 1 157 ? -30.337 19.069 -21.320 1.00 16.07 ? 238 THR A O 1 ATOM 1233 C CB . THR A 1 157 ? -32.777 20.381 -23.083 1.00 17.08 ? 238 THR A CB 1 ATOM 1234 O OG1 . THR A 1 157 ? -32.200 20.928 -24.274 1.00 17.28 ? 238 THR A OG1 1 ATOM 1235 C CG2 . THR A 1 157 ? -32.515 21.320 -21.915 1.00 16.88 ? 238 THR A CG2 1 ATOM 1236 N N . VAL A 1 158 ? -29.882 18.950 -23.527 1.00 16.27 ? 239 VAL A N 1 ATOM 1237 C CA . VAL A 1 158 ? -28.435 19.045 -23.388 1.00 16.37 ? 239 VAL A CA 1 ATOM 1238 C C . VAL A 1 158 ? -27.859 19.752 -24.615 1.00 16.34 ? 239 VAL A C 1 ATOM 1239 O O . VAL A 1 158 ? -28.353 19.579 -25.736 1.00 16.71 ? 239 VAL A O 1 ATOM 1240 C CB . VAL A 1 158 ? -27.794 17.648 -23.206 1.00 16.40 ? 239 VAL A CB 1 ATOM 1241 C CG1 . VAL A 1 158 ? -27.970 16.801 -24.451 1.00 16.70 ? 239 VAL A CG1 1 ATOM 1242 C CG2 . VAL A 1 158 ? -26.319 17.764 -22.835 1.00 16.46 ? 239 VAL A CG2 1 ATOM 1243 N N . VAL A 1 159 ? -26.819 20.547 -24.394 1.00 16.04 ? 240 VAL A N 1 ATOM 1244 C CA . VAL A 1 159 ? -26.181 21.301 -25.457 1.00 16.04 ? 240 VAL A CA 1 ATOM 1245 C C . VAL A 1 159 ? -24.899 20.588 -25.851 1.00 16.21 ? 240 VAL A C 1 ATOM 1246 O O . VAL A 1 159 ? -24.121 20.186 -24.989 1.00 15.54 ? 240 VAL A O 1 ATOM 1247 C CB . VAL A 1 159 ? -25.847 22.745 -25.022 1.00 15.97 ? 240 VAL A CB 1 ATOM 1248 C CG1 . VAL A 1 159 ? -25.269 23.534 -26.191 1.00 16.13 ? 240 VAL A CG1 1 ATOM 1249 C CG2 . VAL A 1 159 ? -27.090 23.438 -24.482 1.00 16.20 ? 240 VAL A CG2 1 ATOM 1250 N N . MET A 1 160 ? -24.702 20.435 -27.156 1.00 16.88 ? 241 MET A N 1 ATOM 1251 C CA . MET A 1 160 ? -23.545 19.743 -27.702 1.00 17.52 ? 241 MET A CA 1 ATOM 1252 C C . MET A 1 160 ? -22.934 20.556 -28.836 1.00 17.36 ? 241 MET A C 1 ATOM 1253 O O . MET A 1 160 ? -23.642 21.261 -29.570 1.00 17.14 ? 241 MET A O 1 ATOM 1254 C CB . MET A 1 160 ? -23.951 18.375 -28.237 1.00 19.27 ? 241 MET A CB 1 ATOM 1255 C CG . MET A 1 160 ? -24.487 17.416 -27.191 1.00 20.42 ? 241 MET A CG 1 ATOM 1256 S SD . MET A 1 160 ? -24.920 15.814 -27.910 1.00 23.96 ? 241 MET A SD 1 ATOM 1257 C CE . MET A 1 160 ? -23.330 15.203 -28.407 1.00 22.56 ? 241 MET A CE 1 ATOM 1258 N N . THR A 1 161 ? -21.618 20.446 -28.983 1.00 16.61 ? 242 THR A N 1 ATOM 1259 C CA . THR A 1 161 ? -20.907 21.163 -30.023 1.00 16.47 ? 242 THR A CA 1 ATOM 1260 C C . THR A 1 161 ? -20.007 20.193 -30.776 1.00 16.37 ? 242 THR A C 1 ATOM 1261 O O . THR A 1 161 ? -19.502 19.220 -30.206 1.00 15.96 ? 242 THR A O 1 ATOM 1262 C CB . THR A 1 161 ? -20.083 22.324 -29.425 1.00 16.68 ? 242 THR A CB 1 ATOM 1263 O OG1 . THR A 1 161 ? -20.967 23.247 -28.776 1.00 16.71 ? 242 THR A OG1 1 ATOM 1264 C CG2 . THR A 1 161 ? -19.307 23.067 -30.500 1.00 16.94 ? 242 THR A CG2 1 ATOM 1265 N N . ASP A 1 162 ? -19.835 20.446 -32.069 1.00 16.26 ? 243 ASP A N 1 ATOM 1266 C CA . ASP A 1 162 ? -18.924 19.666 -32.902 1.00 16.37 ? 243 ASP A CA 1 ATOM 1267 C C . ASP A 1 162 ? -18.312 20.660 -33.877 1.00 16.81 ? 243 ASP A C 1 ATOM 1268 O O . ASP A 1 162 ? -19.029 21.477 -34.462 1.00 17.03 ? 243 ASP A O 1 ATOM 1269 C CB . ASP A 1 162 ? -19.697 18.561 -33.632 1.00 16.53 ? 243 ASP A CB 1 ATOM 1270 C CG . ASP A 1 162 ? -18.808 17.448 -34.160 1.00 16.64 ? 243 ASP A CG 1 ATOM 1271 O OD1 . ASP A 1 162 ? -17.583 17.646 -34.316 1.00 16.64 ? 243 ASP A OD1 1 ATOM 1272 O OD2 . ASP A 1 162 ? -19.359 16.360 -34.449 1.00 16.69 ? 243 ASP A OD2 1 ATOM 1273 N N . GLY A 1 163 ? -16.992 20.629 -34.023 1.00 17.01 ? 244 GLY A N 1 ATOM 1274 C CA . GLY A 1 163 ? -16.316 21.597 -34.882 1.00 17.75 ? 244 GLY A CA 1 ATOM 1275 C C . GLY A 1 163 ? -15.196 22.312 -34.165 1.00 17.78 ? 244 GLY A C 1 ATOM 1276 O O . GLY A 1 163 ? -14.766 21.893 -33.089 1.00 17.23 ? 244 GLY A O 1 ATOM 1277 N N . SER A 1 164 ? -14.738 23.407 -34.767 1.00 18.42 ? 245 SER A N 1 ATOM 1278 C CA . SER A 1 164 ? -13.529 24.090 -34.316 1.00 18.78 ? 245 SER A CA 1 ATOM 1279 C C . SER A 1 164 ? -13.681 24.672 -32.914 1.00 19.03 ? 245 SER A C 1 ATOM 1280 O O . SER A 1 164 ? -14.742 25.186 -32.557 1.00 18.65 ? 245 SER A O 1 ATOM 1281 C CB . SER A 1 164 ? -13.150 25.203 -35.296 1.00 19.21 ? 245 SER A CB 1 ATOM 1282 O OG . SER A 1 164 ? -12.022 25.934 -34.842 1.00 19.09 ? 245 SER A OG 1 ATOM 1283 N N . ALA A 1 165 ? -12.604 24.582 -32.136 1.00 19.64 ? 246 ALA A N 1 ATOM 1284 C CA . ALA A 1 165 ? -12.523 25.207 -30.816 1.00 20.52 ? 246 ALA A CA 1 ATOM 1285 C C . ALA A 1 165 ? -12.053 26.667 -30.899 1.00 21.59 ? 246 ALA A C 1 ATOM 1286 O O . ALA A 1 165 ? -12.002 27.361 -29.880 1.00 21.60 ? 246 ALA A O 1 ATOM 1287 C CB . ALA A 1 165 ? -11.579 24.409 -29.918 1.00 20.52 ? 246 ALA A CB 1 ATOM 1288 N N . SER A 1 166 ? -11.710 27.122 -32.103 1.00 22.42 ? 247 SER A N 1 ATOM 1289 C CA . SER A 1 166 ? -11.107 28.438 -32.299 1.00 23.84 ? 247 SER A CA 1 ATOM 1290 C C . SER A 1 166 ? -11.732 29.158 -33.492 1.00 24.12 ? 247 SER A C 1 ATOM 1291 O O . SER A 1 166 ? -11.093 29.990 -34.133 1.00 24.97 ? 247 SER A O 1 ATOM 1292 C CB . SER A 1 166 ? -9.602 28.270 -32.524 1.00 24.50 ? 247 SER A CB 1 ATOM 1293 O OG . SER A 1 166 ? -9.352 27.477 -33.676 1.00 25.48 ? 247 SER A OG 1 ATOM 1294 N N . GLY A 1 167 ? -12.990 28.839 -33.774 1.00 23.69 ? 248 GLY A N 1 ATOM 1295 C CA . GLY A 1 167 ? -13.681 29.369 -34.935 1.00 24.01 ? 248 GLY A CA 1 ATOM 1296 C C . GLY A 1 167 ? -15.109 28.874 -34.948 1.00 24.26 ? 248 GLY A C 1 ATOM 1297 O O . GLY A 1 167 ? -15.508 28.112 -34.066 1.00 22.93 ? 248 GLY A O 1 ATOM 1298 N N . ARG A 1 168 ? -15.875 29.307 -35.946 1.00 24.78 ? 249 ARG A N 1 ATOM 1299 C CA . ARG A 1 168 ? -17.264 28.876 -36.113 1.00 26.14 ? 249 ARG A CA 1 ATOM 1300 C C . ARG A 1 168 ? -17.387 27.352 -36.003 1.00 24.22 ? 249 ARG A C 1 ATOM 1301 O O . ARG A 1 168 ? -16.663 26.617 -36.677 1.00 23.65 ? 249 ARG A O 1 ATOM 1302 C CB . ARG A 1 168 ? -17.796 29.355 -37.470 1.00 29.15 ? 249 ARG A CB 1 ATOM 1303 C CG . ARG A 1 168 ? -19.155 28.804 -37.874 1.00 32.13 ? 249 ARG A CG 1 ATOM 1304 C CD . ARG A 1 168 ? -20.280 29.427 -37.072 1.00 35.03 ? 249 ARG A CD 1 ATOM 1305 N NE . ARG A 1 168 ? -20.855 30.607 -37.727 1.00 38.40 ? 249 ARG A NE 1 ATOM 1306 C CZ . ARG A 1 168 ? -21.437 31.631 -37.093 1.00 41.88 ? 249 ARG A CZ 1 ATOM 1307 N NH1 . ARG A 1 168 ? -21.517 31.673 -35.759 1.00 42.35 ? 249 ARG A NH1 1 ATOM 1308 N NH2 . ARG A 1 168 ? -21.927 32.646 -37.800 1.00 43.49 ? 249 ARG A NH2 1 ATOM 1309 N N . ALA A 1 169 ? -18.291 26.896 -35.140 1.00 22.33 ? 250 ALA A N 1 ATOM 1310 C CA . ALA A 1 169 ? -18.563 25.470 -34.949 1.00 21.37 ? 250 ALA A CA 1 ATOM 1311 C C . ALA A 1 169 ? -20.053 25.192 -35.126 1.00 20.97 ? 250 ALA A C 1 ATOM 1312 O O . ALA A 1 169 ? -20.826 26.098 -35.441 1.00 21.25 ? 250 ALA A O 1 ATOM 1313 C CB . ALA A 1 169 ? -18.089 25.023 -33.572 1.00 21.12 ? 250 ALA A CB 1 ATOM 1314 N N . ASP A 1 170 ? -20.448 23.940 -34.916 1.00 19.90 ? 251 ASP A N 1 ATOM 1315 C CA . ASP A 1 170 ? -21.821 23.504 -35.134 1.00 19.65 ? 251 ASP A CA 1 ATOM 1316 C C . ASP A 1 170 ? -22.424 23.029 -33.814 1.00 18.74 ? 251 ASP A C 1 ATOM 1317 O O . ASP A 1 170 ? -22.204 21.890 -33.390 1.00 18.01 ? 251 ASP A O 1 ATOM 1318 C CB . ASP A 1 170 ? -21.854 22.391 -36.187 1.00 20.23 ? 251 ASP A CB 1 ATOM 1319 C CG . ASP A 1 170 ? -23.264 22.021 -36.609 1.00 21.21 ? 251 ASP A CG 1 ATOM 1320 O OD1 . ASP A 1 170 ? -24.184 22.117 -35.772 1.00 21.42 ? 251 ASP A OD1 1 ATOM 1321 O OD2 . ASP A 1 170 ? -23.456 21.625 -37.782 1.00 22.38 ? 251 ASP A OD2 1 ATOM 1322 N N . THR A 1 171 ? -23.177 23.920 -33.171 1.00 17.99 ? 252 THR A N 1 ATOM 1323 C CA . THR A 1 171 ? -23.768 23.648 -31.874 1.00 17.72 ? 252 THR A CA 1 ATOM 1324 C C . THR A 1 171 ? -25.229 23.267 -32.054 1.00 18.05 ? 252 THR A C 1 ATOM 1325 O O . THR A 1 171 ? -25.953 23.902 -32.830 1.00 18.28 ? 252 THR A O 1 ATOM 1326 C CB . THR A 1 171 ? -23.633 24.867 -30.946 1.00 17.61 ? 252 THR A CB 1 ATOM 1327 O OG1 . THR A 1 171 ? -22.247 25.084 -30.665 1.00 17.21 ? 252 THR A OG1 1 ATOM 1328 C CG2 . THR A 1 171 ? -24.388 24.663 -29.638 1.00 17.68 ? 252 THR A CG2 1 ATOM 1329 N N . ARG A 1 172 ? -25.644 22.213 -31.355 1.00 17.77 ? 253 ARG A N 1 ATOM 1330 C CA . ARG A 1 172 ? -27.015 21.720 -31.427 1.00 18.40 ? 253 ARG A CA 1 ATOM 1331 C C . ARG A 1 172 ? -27.544 21.432 -30.034 1.00 18.01 ? 253 ARG A C 1 ATOM 1332 O O . ARG A 1 172 ? -26.786 21.076 -29.130 1.00 17.86 ? 253 ARG A O 1 ATOM 1333 C CB . ARG A 1 172 ? -27.092 20.468 -32.304 1.00 19.02 ? 253 ARG A CB 1 ATOM 1334 C CG . ARG A 1 172 ? -26.495 20.684 -33.685 1.00 19.77 ? 253 ARG A CG 1 ATOM 1335 C CD . ARG A 1 172 ? -26.678 19.496 -34.615 1.00 20.75 ? 253 ARG A CD 1 ATOM 1336 N NE . ARG A 1 172 ? -25.999 19.743 -35.884 1.00 21.80 ? 253 ARG A NE 1 ATOM 1337 C CZ . ARG A 1 172 ? -26.015 18.922 -36.933 1.00 22.62 ? 253 ARG A CZ 1 ATOM 1338 N NH1 . ARG A 1 172 ? -26.680 17.772 -36.893 1.00 22.95 ? 253 ARG A NH1 1 ATOM 1339 N NH2 . ARG A 1 172 ? -25.359 19.258 -38.034 1.00 23.16 ? 253 ARG A NH2 1 ATOM 1340 N N . ILE A 1 173 ? -28.849 21.609 -29.876 1.00 17.90 ? 254 ILE A N 1 ATOM 1341 C CA . ILE A 1 173 ? -29.526 21.383 -28.611 1.00 17.75 ? 254 ILE A CA 1 ATOM 1342 C C . ILE A 1 173 ? -30.442 20.174 -28.774 1.00 17.59 ? 254 ILE A C 1 ATOM 1343 O O . ILE A 1 173 ? -31.315 20.157 -29.644 1.00 17.61 ? 254 ILE A O 1 ATOM 1344 C CB . ILE A 1 173 ? -30.322 22.632 -28.180 1.00 17.84 ? 254 ILE A CB 1 ATOM 1345 C CG1 . ILE A 1 173 ? -29.355 23.792 -27.865 1.00 17.79 ? 254 ILE A CG1 1 ATOM 1346 C CG2 . ILE A 1 173 ? -31.174 22.334 -26.953 1.00 17.90 ? 254 ILE A CG2 1 ATOM 1347 C CD1 . ILE A 1 173 ? -28.817 24.514 -29.081 1.00 18.05 ? 254 ILE A CD1 1 ATOM 1348 N N . LEU A 1 174 ? -30.220 19.163 -27.941 1.00 17.35 ? 255 LEU A N 1 ATOM 1349 C CA . LEU A 1 174 ? -30.950 17.904 -28.027 1.00 17.66 ? 255 LEU A CA 1 ATOM 1350 C C . LEU A 1 174 ? -32.056 17.858 -26.991 1.00 17.61 ? 255 LEU A C 1 ATOM 1351 O O . LEU A 1 174 ? -31.909 18.388 -25.885 1.00 17.37 ? 255 LEU A O 1 ATOM 1352 C CB . LEU A 1 174 ? -30.007 16.715 -27.816 1.00 18.02 ? 255 LEU A CB 1 ATOM 1353 C CG . LEU A 1 174 ? -29.189 16.300 -29.042 1.00 18.60 ? 255 LEU A CG 1 ATOM 1354 C CD1 . LEU A 1 174 ? -28.147 17.348 -29.397 1.00 18.88 ? 255 LEU A CD1 1 ATOM 1355 C CD2 . LEU A 1 174 ? -28.536 14.948 -28.807 1.00 18.84 ? 255 LEU A CD2 1 ATOM 1356 N N . PHE A 1 175 ? -33.154 17.210 -27.364 1.00 17.66 ? 256 PHE A N 1 ATOM 1357 C CA . PHE A 1 175 ? -34.286 16.998 -26.481 1.00 17.95 ? 256 PHE A CA 1 ATOM 1358 C C . PHE A 1 175 ? -34.519 15.500 -26.389 1.00 18.15 ? 256 PHE A C 1 ATOM 1359 O O . PHE A 1 175 ? -34.712 14.825 -27.408 1.00 18.25 ? 256 PHE A O 1 ATOM 1360 C CB . PHE A 1 175 ? -35.518 17.719 -27.024 1.00 18.02 ? 256 PHE A CB 1 ATOM 1361 C CG . PHE A 1 175 ? -35.338 19.205 -27.128 1.00 18.11 ? 256 PHE A CG 1 ATOM 1362 C CD1 . PHE A 1 175 ? -34.792 19.772 -28.274 1.00 18.01 ? 256 PHE A CD1 1 ATOM 1363 C CD2 . PHE A 1 175 ? -35.691 20.038 -26.073 1.00 18.09 ? 256 PHE A CD2 1 ATOM 1364 C CE1 . PHE A 1 175 ? -34.611 21.143 -28.371 1.00 18.06 ? 256 PHE A CE1 1 ATOM 1365 C CE2 . PHE A 1 175 ? -35.516 21.410 -26.167 1.00 18.24 ? 256 PHE A CE2 1 ATOM 1366 C CZ . PHE A 1 175 ? -34.973 21.963 -27.315 1.00 18.08 ? 256 PHE A CZ 1 ATOM 1367 N N . ILE A 1 176 ? -34.486 14.993 -25.162 1.00 18.44 ? 257 ILE A N 1 ATOM 1368 C CA . ILE A 1 176 ? -34.385 13.564 -24.903 1.00 18.66 ? 257 ILE A CA 1 ATOM 1369 C C . ILE A 1 176 ? -35.474 13.127 -23.926 1.00 18.98 ? 257 ILE A C 1 ATOM 1370 O O . ILE A 1 176 ? -35.629 13.710 -22.851 1.00 18.89 ? 257 ILE A O 1 ATOM 1371 C CB . ILE A 1 176 ? -32.990 13.227 -24.335 1.00 18.67 ? 257 ILE A CB 1 ATOM 1372 C CG1 . ILE A 1 176 ? -31.889 13.750 -25.269 1.00 18.83 ? 257 ILE A CG1 1 ATOM 1373 C CG2 . ILE A 1 176 ? -32.826 11.726 -24.148 1.00 18.56 ? 257 ILE A CG2 1 ATOM 1374 C CD1 . ILE A 1 176 ? -30.614 14.128 -24.558 1.00 19.12 ? 257 ILE A CD1 1 ATOM 1375 N N . GLU A 1 177 ? -36.238 12.110 -24.313 1.00 19.26 ? 258 GLU A N 1 ATOM 1376 C CA . GLU A 1 177 ? -37.298 11.587 -23.473 1.00 20.20 ? 258 GLU A CA 1 ATOM 1377 C C . GLU A 1 177 ? -37.003 10.136 -23.148 1.00 19.63 ? 258 GLU A C 1 ATOM 1378 O O . GLU A 1 177 ? -36.910 9.301 -24.048 1.00 18.96 ? 258 GLU A O 1 ATOM 1379 C CB . GLU A 1 177 ? -38.648 11.734 -24.177 1.00 21.33 ? 258 GLU A CB 1 ATOM 1380 C CG . GLU A 1 177 ? -39.040 13.196 -24.338 1.00 22.66 ? 258 GLU A CG 1 ATOM 1381 C CD . GLU A 1 177 ? -40.320 13.425 -25.117 1.00 24.33 ? 258 GLU A CD 1 ATOM 1382 O OE1 . GLU A 1 177 ? -41.001 12.450 -25.503 1.00 25.55 ? 258 GLU A OE1 1 ATOM 1383 O OE2 . GLU A 1 177 ? -40.646 14.613 -25.336 1.00 26.36 ? 258 GLU A OE2 1 ATOM 1384 N N . GLU A 1 178 ? -36.849 9.849 -21.859 1.00 19.69 ? 259 GLU A N 1 ATOM 1385 C CA . GLU A 1 178 ? -36.473 8.513 -21.394 1.00 20.27 ? 259 GLU A CA 1 ATOM 1386 C C . GLU A 1 178 ? -35.298 7.938 -22.190 1.00 19.46 ? 259 GLU A C 1 ATOM 1387 O O . GLU A 1 178 ? -35.298 6.759 -22.559 1.00 19.30 ? 259 GLU A O 1 ATOM 1388 C CB . GLU A 1 178 ? -37.674 7.562 -21.453 1.00 21.96 ? 259 GLU A CB 1 ATOM 1389 C CG . GLU A 1 178 ? -38.824 7.956 -20.545 1.00 23.28 ? 259 GLU A CG 1 ATOM 1390 C CD . GLU A 1 178 ? -39.905 6.897 -20.502 1.00 25.19 ? 259 GLU A CD 1 ATOM 1391 O OE1 . GLU A 1 178 ? -40.792 6.911 -21.380 1.00 27.83 ? 259 GLU A OE1 1 ATOM 1392 O OE2 . GLU A 1 178 ? -39.870 6.055 -19.586 1.00 26.68 ? 259 GLU A OE2 1 ATOM 1393 N N . GLY A 1 179 ? -34.297 8.776 -22.449 1.00 18.65 ? 260 GLY A N 1 ATOM 1394 C CA . GLY A 1 179 ? -33.091 8.355 -23.163 1.00 18.25 ? 260 GLY A CA 1 ATOM 1395 C C . GLY A 1 179 ? -33.158 8.408 -24.683 1.00 18.41 ? 260 GLY A C 1 ATOM 1396 O O . GLY A 1 179 ? -32.141 8.222 -25.347 1.00 17.73 ? 260 GLY A O 1 ATOM 1397 N N . LYS A 1 180 ? -34.344 8.670 -25.236 1.00 19.00 ? 261 LYS A N 1 ATOM 1398 C CA . LYS A 1 180 ? -34.546 8.704 -26.688 1.00 20.05 ? 261 LYS A CA 1 ATOM 1399 C C . LYS A 1 180 ? -34.505 10.144 -27.199 1.00 19.48 ? 261 LYS A C 1 ATOM 1400 O O . LYS A 1 180 ? -35.231 10.998 -26.700 1.00 19.03 ? 261 LYS A O 1 ATOM 1401 C CB . LYS A 1 180 ? -35.902 8.075 -27.037 1.00 21.56 ? 261 LYS A CB 1 ATOM 1402 C CG . LYS A 1 180 ? -36.237 8.016 -28.524 1.00 23.29 ? 261 LYS A CG 1 ATOM 1403 C CD . LYS A 1 180 ? -35.368 7.014 -29.260 1.00 24.84 ? 261 LYS A CD 1 ATOM 1404 C CE . LYS A 1 180 ? -35.973 6.617 -30.600 1.00 26.53 ? 261 LYS A CE 1 ATOM 1405 N NZ . LYS A 1 180 ? -35.132 5.577 -31.257 1.00 27.45 ? 261 LYS A NZ 1 ATOM 1406 N N . ILE A 1 181 ? -33.668 10.403 -28.200 1.00 18.95 ? 262 ILE A N 1 ATOM 1407 C CA . ILE A 1 181 ? -33.601 11.729 -28.809 1.00 18.88 ? 262 ILE A CA 1 ATOM 1408 C C . ILE A 1 181 ? -34.896 11.935 -29.591 1.00 18.89 ? 262 ILE A C 1 ATOM 1409 O O . ILE A 1 181 ? -35.182 11.173 -30.518 1.00 18.82 ? 262 ILE A O 1 ATOM 1410 C CB . ILE A 1 181 ? -32.397 11.875 -29.764 1.00 18.94 ? 262 ILE A CB 1 ATOM 1411 C CG1 . ILE A 1 181 ? -31.073 11.615 -29.023 1.00 18.79 ? 262 ILE A CG1 1 ATOM 1412 C CG2 . ILE A 1 181 ? -32.384 13.268 -30.384 1.00 19.23 ? 262 ILE A CG2 1 ATOM 1413 C CD1 . ILE A 1 181 ? -29.879 11.432 -29.936 1.00 18.90 ? 262 ILE A CD1 1 ATOM 1414 N N . VAL A 1 182 ? -35.684 12.939 -29.211 1.00 18.81 ? 263 VAL A N 1 ATOM 1415 C CA . VAL A 1 182 ? -36.961 13.205 -29.898 1.00 19.42 ? 263 VAL A CA 1 ATOM 1416 C C . VAL A 1 182 ? -36.919 14.419 -30.824 1.00 19.68 ? 263 VAL A C 1 ATOM 1417 O O . VAL A 1 182 ? -37.780 14.571 -31.698 1.00 19.79 ? 263 VAL A O 1 ATOM 1418 C CB . VAL A 1 182 ? -38.144 13.326 -28.913 1.00 19.84 ? 263 VAL A CB 1 ATOM 1419 C CG1 . VAL A 1 182 ? -38.362 11.998 -28.199 1.00 20.02 ? 263 VAL A CG1 1 ATOM 1420 C CG2 . VAL A 1 182 ? -37.936 14.454 -27.911 1.00 19.92 ? 263 VAL A CG2 1 ATOM 1421 N N . HIS A 1 183 ? -35.922 15.278 -30.635 1.00 19.28 ? 264 HIS A N 1 ATOM 1422 C CA . HIS A 1 183 ? -35.770 16.479 -31.445 1.00 19.68 ? 264 HIS A CA 1 ATOM 1423 C C . HIS A 1 183 ? -34.362 17.048 -31.281 1.00 18.98 ? 264 HIS A C 1 ATOM 1424 O O . HIS A 1 183 ? -33.762 16.934 -30.203 1.00 18.50 ? 264 HIS A O 1 ATOM 1425 C CB . HIS A 1 183 ? -36.801 17.540 -31.039 1.00 20.22 ? 264 HIS A CB 1 ATOM 1426 C CG . HIS A 1 183 ? -36.919 18.665 -32.015 1.00 20.87 ? 264 HIS A CG 1 ATOM 1427 N ND1 . HIS A 1 183 ? -37.800 18.641 -33.072 1.00 21.67 ? 264 HIS A ND1 1 ATOM 1428 C CD2 . HIS A 1 183 ? -36.254 19.840 -32.107 1.00 21.15 ? 264 HIS A CD2 1 ATOM 1429 C CE1 . HIS A 1 183 ? -37.678 19.755 -33.771 1.00 21.97 ? 264 HIS A CE1 1 ATOM 1430 N NE2 . HIS A 1 183 ? -36.746 20.500 -33.207 1.00 21.67 ? 264 HIS A NE2 1 ATOM 1431 N N . ILE A 1 184 ? -33.844 17.645 -32.350 1.00 18.87 ? 265 ILE A N 1 ATOM 1432 C CA . ILE A 1 184 ? -32.560 18.346 -32.313 1.00 18.77 ? 265 ILE A CA 1 ATOM 1433 C C . ILE A 1 184 ? -32.727 19.709 -32.963 1.00 19.04 ? 265 ILE A C 1 ATOM 1434 O O . ILE A 1 184 ? -33.170 19.798 -34.121 1.00 19.16 ? 265 ILE A O 1 ATOM 1435 C CB . ILE A 1 184 ? -31.442 17.573 -33.048 1.00 19.01 ? 265 ILE A CB 1 ATOM 1436 C CG1 . ILE A 1 184 ? -31.316 16.153 -32.490 1.00 19.00 ? 265 ILE A CG1 1 ATOM 1437 C CG2 . ILE A 1 184 ? -30.111 18.310 -32.913 1.00 18.84 ? 265 ILE A CG2 1 ATOM 1438 C CD1 . ILE A 1 184 ? -30.278 15.295 -33.189 1.00 19.07 ? 265 ILE A CD1 1 ATOM 1439 N N . SER A 1 185 ? -32.401 20.765 -32.215 1.00 18.68 ? 266 SER A N 1 ATOM 1440 C CA . SER A 1 185 ? -32.482 22.131 -32.725 1.00 19.03 ? 266 SER A CA 1 ATOM 1441 C C . SER A 1 185 ? -31.091 22.714 -32.906 1.00 19.04 ? 266 SER A C 1 ATOM 1442 O O . SER A 1 185 ? -30.246 22.601 -32.012 1.00 18.94 ? 266 SER A O 1 ATOM 1443 C CB . SER A 1 185 ? -33.275 23.029 -31.776 1.00 19.07 ? 266 SER A CB 1 ATOM 1444 O OG . SER A 1 185 ? -34.601 22.568 -31.623 1.00 19.42 ? 266 SER A OG 1 ATOM 1445 N N . PRO A 1 186 ? -30.837 23.341 -34.063 1.00 19.27 ? 267 PRO A N 1 ATOM 1446 C CA . PRO A 1 186 ? -29.564 24.042 -34.193 1.00 19.04 ? 267 PRO A CA 1 ATOM 1447 C C . PRO A 1 186 ? -29.527 25.288 -33.319 1.00 18.72 ? 267 PRO A C 1 ATOM 1448 O O . PRO A 1 186 ? -30.577 25.871 -33.017 1.00 18.24 ? 267 PRO A O 1 ATOM 1449 C CB . PRO A 1 186 ? -29.506 24.423 -35.679 1.00 19.76 ? 267 PRO A CB 1 ATOM 1450 C CG . PRO A 1 186 ? -30.908 24.365 -36.166 1.00 20.24 ? 267 PRO A CG 1 ATOM 1451 C CD . PRO A 1 186 ? -31.654 23.403 -35.290 1.00 19.91 ? 267 PRO A CD 1 ATOM 1452 N N . LEU A 1 187 ? -28.328 25.685 -32.904 1.00 18.19 ? 268 LEU A N 1 ATOM 1453 C CA . LEU A 1 187 ? -28.160 26.959 -32.224 1.00 18.31 ? 268 LEU A CA 1 ATOM 1454 C C . LEU A 1 187 ? -28.704 28.080 -33.117 1.00 18.80 ? 268 LEU A C 1 ATOM 1455 O O . LEU A 1 187 ? -28.522 28.062 -34.333 1.00 19.06 ? 268 LEU A O 1 ATOM 1456 C CB . LEU A 1 187 ? -26.684 27.206 -31.904 1.00 18.13 ? 268 LEU A CB 1 ATOM 1457 C CG . LEU A 1 187 ? -26.344 28.547 -31.249 1.00 18.21 ? 268 LEU A CG 1 ATOM 1458 C CD1 . LEU A 1 187 ? -26.796 28.582 -29.797 1.00 18.21 ? 268 LEU A CD1 1 ATOM 1459 C CD2 . LEU A 1 187 ? -24.854 28.815 -31.368 1.00 18.26 ? 268 LEU A CD2 1 ATOM 1460 N N . SER A 1 188 ? -29.394 29.028 -32.501 1.00 19.22 ? 269 SER A N 1 ATOM 1461 C CA . SER A 1 188 ? -29.858 30.235 -33.174 1.00 20.03 ? 269 SER A CA 1 ATOM 1462 C C . SER A 1 188 ? -29.600 31.430 -32.254 1.00 19.71 ? 269 SER A C 1 ATOM 1463 O O . SER A 1 188 ? -29.276 31.248 -31.074 1.00 19.37 ? 269 SER A O 1 ATOM 1464 C CB . SER A 1 188 ? -31.341 30.101 -33.517 1.00 20.81 ? 269 SER A CB 1 ATOM 1465 O OG . SER A 1 188 ? -31.786 31.186 -34.299 1.00 22.44 ? 269 SER A OG 1 ATOM 1466 N N . GLY A 1 189 ? -29.724 32.644 -32.789 1.00 19.89 ? 270 GLY A N 1 ATOM 1467 C CA . GLY A 1 189 ? -29.458 33.861 -32.015 1.00 19.78 ? 270 GLY A CA 1 ATOM 1468 C C . GLY A 1 189 ? -28.088 34.441 -32.312 1.00 19.76 ? 270 GLY A C 1 ATOM 1469 O O . GLY A 1 189 ? -27.521 34.188 -33.374 1.00 20.22 ? 270 GLY A O 1 ATOM 1470 N N . SER A 1 190 ? -27.544 35.211 -31.371 1.00 19.44 ? 271 SER A N 1 ATOM 1471 C CA . SER A 1 190 ? -26.328 35.984 -31.626 1.00 19.14 ? 271 SER A CA 1 ATOM 1472 C C . SER A 1 190 ? -25.050 35.431 -30.993 1.00 18.81 ? 271 SER A C 1 ATOM 1473 O O . SER A 1 190 ? -23.980 35.990 -31.216 1.00 18.65 ? 271 SER A O 1 ATOM 1474 C CB . SER A 1 190 ? -26.523 37.441 -31.196 1.00 19.16 ? 271 SER A CB 1 ATOM 1475 O OG . SER A 1 190 ? -26.565 37.577 -29.787 1.00 18.99 ? 271 SER A OG 1 ATOM 1476 N N . ALA A 1 191 ? -25.136 34.344 -30.224 1.00 18.65 ? 272 ALA A N 1 ATOM 1477 C CA . ALA A 1 191 ? -23.913 33.733 -29.680 1.00 18.41 ? 272 ALA A CA 1 ATOM 1478 C C . ALA A 1 191 ? -23.105 33.157 -30.835 1.00 18.67 ? 272 ALA A C 1 ATOM 1479 O O . ALA A 1 191 ? -23.658 32.475 -31.692 1.00 18.86 ? 272 ALA A O 1 ATOM 1480 C CB . ALA A 1 191 ? -24.247 32.650 -28.662 1.00 18.20 ? 272 ALA A CB 1 ATOM 1481 N N . GLN A 1 192 ? -21.806 33.438 -30.877 1.00 18.96 ? 273 GLN A N 1 ATOM 1482 C CA . GLN A 1 192 ? -20.987 33.039 -32.023 1.00 19.26 ? 273 GLN A CA 1 ATOM 1483 C C . GLN A 1 192 ? -20.120 31.816 -31.768 1.00 18.67 ? 273 GLN A C 1 ATOM 1484 O O . GLN A 1 192 ? -19.591 31.224 -32.709 1.00 18.58 ? 273 GLN A O 1 ATOM 1485 C CB . GLN A 1 192 ? -20.141 34.212 -32.508 1.00 20.35 ? 273 GLN A CB 1 ATOM 1486 C CG . GLN A 1 192 ? -20.976 35.272 -33.214 1.00 21.39 ? 273 GLN A CG 1 ATOM 1487 C CD . GLN A 1 192 ? -20.137 36.269 -33.981 1.00 22.52 ? 273 GLN A CD 1 ATOM 1488 O OE1 . GLN A 1 192 ? -19.191 35.895 -34.678 1.00 23.74 ? 273 GLN A OE1 1 ATOM 1489 N NE2 . GLN A 1 192 ? -20.495 37.549 -33.880 1.00 23.03 ? 273 GLN A NE2 1 ATOM 1490 N N . HIS A 1 193 ? -19.992 31.424 -30.506 1.00 17.98 ? 274 HIS A N 1 ATOM 1491 C CA . HIS A 1 193 ? -19.282 30.204 -30.162 1.00 17.53 ? 274 HIS A CA 1 ATOM 1492 C C . HIS A 1 193 ? -19.757 29.688 -28.816 1.00 17.30 ? 274 HIS A C 1 ATOM 1493 O O . HIS A 1 193 ? -19.848 30.455 -27.857 1.00 17.09 ? 274 HIS A O 1 ATOM 1494 C CB . HIS A 1 193 ? -17.780 30.452 -30.126 1.00 17.52 ? 274 HIS A CB 1 ATOM 1495 C CG . HIS A 1 193 ? -16.973 29.207 -30.296 1.00 17.30 ? 274 HIS A CG 1 ATOM 1496 N ND1 . HIS A 1 193 ? -16.309 28.602 -29.254 1.00 17.18 ? 274 HIS A ND1 1 ATOM 1497 C CD2 . HIS A 1 193 ? -16.751 28.435 -31.383 1.00 17.28 ? 274 HIS A CD2 1 ATOM 1498 C CE1 . HIS A 1 193 ? -15.696 27.519 -29.693 1.00 17.11 ? 274 HIS A CE1 1 ATOM 1499 N NE2 . HIS A 1 193 ? -15.944 27.399 -30.985 1.00 17.34 ? 274 HIS A NE2 1 ATOM 1500 N N . ILE A 1 194 ? -20.065 28.391 -28.760 1.00 17.15 ? 275 ILE A N 1 ATOM 1501 C CA . ILE A 1 194 ? -20.637 27.772 -27.567 1.00 16.93 ? 275 ILE A CA 1 ATOM 1502 C C . ILE A 1 194 ? -19.872 26.519 -27.152 1.00 16.73 ? 275 ILE A C 1 ATOM 1503 O O . ILE A 1 194 ? -19.768 25.557 -27.919 1.00 16.90 ? 275 ILE A O 1 ATOM 1504 C CB . ILE A 1 194 ? -22.109 27.360 -27.803 1.00 16.98 ? 275 ILE A CB 1 ATOM 1505 C CG1 . ILE A 1 194 ? -22.993 28.584 -28.081 1.00 17.10 ? 275 ILE A CG1 1 ATOM 1506 C CG2 . ILE A 1 194 ? -22.642 26.569 -26.615 1.00 17.01 ? 275 ILE A CG2 1 ATOM 1507 C CD1 . ILE A 1 194 ? -23.136 29.552 -26.922 1.00 17.16 ? 275 ILE A CD1 1 ATOM 1508 N N . GLU A 1 195 ? -19.372 26.529 -25.918 1.00 16.45 ? 276 GLU A N 1 ATOM 1509 C CA . GLU A 1 195 ? -18.720 25.374 -25.318 1.00 16.24 ? 276 GLU A CA 1 ATOM 1510 C C . GLU A 1 195 ? -19.215 25.212 -23.887 1.00 15.60 ? 276 GLU A C 1 ATOM 1511 O O . GLU A 1 195 ? -19.459 26.202 -23.192 1.00 15.18 ? 276 GLU A O 1 ATOM 1512 C CB . GLU A 1 195 ? -17.199 25.584 -25.244 1.00 16.85 ? 276 GLU A CB 1 ATOM 1513 C CG . GLU A 1 195 ? -16.499 25.886 -26.555 1.00 17.84 ? 276 GLU A CG 1 ATOM 1514 C CD . GLU A 1 195 ? -16.134 24.645 -27.342 1.00 18.62 ? 276 GLU A CD 1 ATOM 1515 O OE1 . GLU A 1 195 ? -16.679 23.550 -27.061 1.00 19.59 ? 276 GLU A OE1 1 ATOM 1516 O OE2 . GLU A 1 195 ? -15.286 24.753 -28.248 1.00 19.28 ? 276 GLU A OE2 1 ATOM 1517 N N . GLU A 1 196 ? -19.340 23.964 -23.442 1.00 15.30 ? 277 GLU A N 1 ATOM 1518 C CA . GLU A 1 196 ? -19.380 23.656 -22.009 1.00 15.04 ? 277 GLU A CA 1 ATOM 1519 C C . GLU A 1 196 ? -20.441 24.446 -21.238 1.00 15.20 ? 277 GLU A C 1 ATOM 1520 O O . GLU A 1 196 ? -20.160 25.091 -20.227 1.00 15.13 ? 277 GLU A O 1 ATOM 1521 C CB . GLU A 1 196 ? -17.988 23.880 -21.409 1.00 15.00 ? 277 GLU A CB 1 ATOM 1522 C CG . GLU A 1 196 ? -16.951 22.929 -21.978 1.00 15.05 ? 277 GLU A CG 1 ATOM 1523 C CD . GLU A 1 196 ? -15.534 23.227 -21.547 1.00 15.20 ? 277 GLU A CD 1 ATOM 1524 O OE1 . GLU A 1 196 ? -15.256 24.353 -21.082 1.00 15.15 ? 277 GLU A OE1 1 ATOM 1525 O OE2 . GLU A 1 196 ? -14.685 22.308 -21.674 1.00 15.46 ? 277 GLU A OE2 1 ATOM 1526 N N . CYS A 1 197 ? -21.678 24.364 -21.709 1.00 15.43 ? 278 CYS A N 1 ATOM 1527 C CA . CYS A 1 197 ? -22.767 25.119 -21.103 1.00 15.76 ? 278 CYS A CA 1 ATOM 1528 C C . CYS A 1 197 ? -23.091 24.676 -19.681 1.00 15.33 ? 278 CYS A C 1 ATOM 1529 O O . CYS A 1 197 ? -23.122 23.481 -19.373 1.00 15.17 ? 278 CYS A O 1 ATOM 1530 C CB . CYS A 1 197 ? -24.019 25.022 -21.959 1.00 16.27 ? 278 CYS A CB 1 ATOM 1531 S SG . CYS A 1 197 ? -23.867 25.956 -23.485 1.00 17.50 ? 278 CYS A SG 1 ATOM 1532 N N . SER A 1 198 ? -23.322 25.667 -18.828 1.00 15.28 ? 279 SER A N 1 ATOM 1533 C CA . SER A 1 198 ? -23.797 25.459 -17.475 1.00 15.07 ? 279 SER A CA 1 ATOM 1534 C C . SER A 1 198 ? -25.257 25.889 -17.465 1.00 15.20 ? 279 SER A C 1 ATOM 1535 O O . SER A 1 198 ? -25.565 27.088 -17.497 1.00 14.97 ? 279 SER A O 1 ATOM 1536 C CB . SER A 1 198 ? -22.972 26.280 -16.491 1.00 15.34 ? 279 SER A CB 1 ATOM 1537 O OG . SER A 1 198 ? -21.640 25.795 -16.443 1.00 15.48 ? 279 SER A OG 1 ATOM 1538 N N . CYS A 1 199 ? -26.145 24.899 -17.455 1.00 15.01 ? 280 CYS A N 1 ATOM 1539 C CA . CYS A 1 199 ? -27.572 25.130 -17.675 1.00 15.36 ? 280 CYS A CA 1 ATOM 1540 C C . CYS A 1 199 ? -28.375 24.964 -16.401 1.00 15.22 ? 280 CYS A C 1 ATOM 1541 O O . CYS A 1 199 ? -27.976 24.240 -15.495 1.00 15.03 ? 280 CYS A O 1 ATOM 1542 C CB . CYS A 1 199 ? -28.108 24.156 -18.723 1.00 15.61 ? 280 CYS A CB 1 ATOM 1543 S SG . CYS A 1 199 ? -27.287 24.250 -20.327 1.00 15.76 ? 280 CYS A SG 1 ATOM 1544 N N . TYR A 1 200 ? -29.527 25.624 -16.351 1.00 15.38 ? 281 TYR A N 1 ATOM 1545 C CA . TYR A 1 200 ? -30.399 25.522 -15.200 1.00 15.35 ? 281 TYR A CA 1 ATOM 1546 C C . TYR A 1 200 ? -31.862 25.707 -15.583 1.00 15.96 ? 281 TYR A C 1 ATOM 1547 O O . TYR A 1 200 ? -32.176 26.396 -16.557 1.00 16.30 ? 281 TYR A O 1 ATOM 1548 C CB . TYR A 1 200 ? -29.978 26.536 -14.126 1.00 15.35 ? 281 TYR A CB 1 ATOM 1549 C CG . TYR A 1 200 ? -29.985 28.003 -14.539 1.00 15.43 ? 281 TYR A CG 1 ATOM 1550 C CD1 . TYR A 1 200 ? -31.124 28.795 -14.372 1.00 15.66 ? 281 TYR A CD1 1 ATOM 1551 C CD2 . TYR A 1 200 ? -28.842 28.611 -15.050 1.00 15.36 ? 281 TYR A CD2 1 ATOM 1552 C CE1 . TYR A 1 200 ? -31.125 30.138 -14.725 1.00 15.88 ? 281 TYR A CE1 1 ATOM 1553 C CE2 . TYR A 1 200 ? -28.834 29.954 -15.399 1.00 15.54 ? 281 TYR A CE2 1 ATOM 1554 C CZ . TYR A 1 200 ? -29.973 30.714 -15.231 1.00 15.77 ? 281 TYR A CZ 1 ATOM 1555 O OH . TYR A 1 200 ? -29.956 32.050 -15.571 1.00 16.41 ? 281 TYR A OH 1 ATOM 1556 N N . PRO A 1 201 ? -32.763 25.061 -14.835 1.00 16.25 ? 282 PRO A N 1 ATOM 1557 C CA . PRO A 1 201 ? -34.183 25.230 -15.120 1.00 16.75 ? 282 PRO A CA 1 ATOM 1558 C C . PRO A 1 201 ? -34.619 26.639 -14.757 1.00 17.43 ? 282 PRO A C 1 ATOM 1559 O O . PRO A 1 201 ? -34.252 27.147 -13.697 1.00 17.07 ? 282 PRO A O 1 ATOM 1560 C CB . PRO A 1 201 ? -34.855 24.190 -14.218 1.00 16.65 ? 282 PRO A CB 1 ATOM 1561 C CG . PRO A 1 201 ? -33.890 23.961 -13.110 1.00 16.37 ? 282 PRO A CG 1 ATOM 1562 C CD . PRO A 1 201 ? -32.527 24.134 -13.715 1.00 16.04 ? 282 PRO A CD 1 ATOM 1563 N N . ARG A 1 202 ? -35.349 27.273 -15.667 1.00 18.57 ? 283 ARG A N 1 ATOM 1564 C CA . ARG A 1 202 ? -35.972 28.562 -15.421 1.00 19.73 ? 283 ARG A CA 1 ATOM 1565 C C . ARG A 1 202 ? -37.377 28.440 -16.000 1.00 20.27 ? 283 ARG A C 1 ATOM 1566 O O . ARG A 1 202 ? -37.661 28.938 -17.089 1.00 19.97 ? 283 ARG A O 1 ATOM 1567 C CB . ARG A 1 202 ? -35.169 29.693 -16.076 1.00 20.82 ? 283 ARG A CB 1 ATOM 1568 C CG . ARG A 1 202 ? -35.617 31.083 -15.647 1.00 22.19 ? 283 ARG A CG 1 ATOM 1569 C CD . ARG A 1 202 ? -34.775 32.189 -16.266 1.00 22.96 ? 283 ARG A CD 1 ATOM 1570 N NE . ARG A 1 202 ? -35.139 33.501 -15.727 1.00 24.14 ? 283 ARG A NE 1 ATOM 1571 C CZ . ARG A 1 202 ? -36.220 34.200 -16.081 1.00 26.01 ? 283 ARG A CZ 1 ATOM 1572 N NH1 . ARG A 1 202 ? -37.077 33.731 -16.985 1.00 26.65 ? 283 ARG A NH1 1 ATOM 1573 N NH2 . ARG A 1 202 ? -36.455 35.382 -15.520 1.00 27.00 ? 283 ARG A NH2 1 ATOM 1574 N N . TYR A 1 203 ? -38.227 27.717 -15.275 1.00 20.51 ? 284 TYR A N 1 ATOM 1575 C CA . TYR A 1 203 ? -39.542 27.317 -15.772 1.00 21.61 ? 284 TYR A CA 1 ATOM 1576 C C . TYR A 1 203 ? -40.246 28.497 -16.436 1.00 21.62 ? 284 TYR A C 1 ATOM 1577 O O . TYR A 1 203 ? -40.277 29.586 -15.866 1.00 21.13 ? 284 TYR A O 1 ATOM 1578 C CB . TYR A 1 203 ? -40.406 26.770 -14.634 1.00 22.46 ? 284 TYR A CB 1 ATOM 1579 C CG . TYR A 1 203 ? -41.672 26.125 -15.123 1.00 23.50 ? 284 TYR A CG 1 ATOM 1580 C CD1 . TYR A 1 203 ? -41.678 24.795 -15.521 1.00 23.91 ? 284 TYR A CD1 1 ATOM 1581 C CD2 . TYR A 1 203 ? -42.858 26.850 -15.224 1.00 24.35 ? 284 TYR A CD2 1 ATOM 1582 C CE1 . TYR A 1 203 ? -42.830 24.192 -15.994 1.00 24.84 ? 284 TYR A CE1 1 ATOM 1583 C CE2 . TYR A 1 203 ? -44.015 26.255 -15.698 1.00 25.35 ? 284 TYR A CE2 1 ATOM 1584 C CZ . TYR A 1 203 ? -43.995 24.927 -16.080 1.00 25.37 ? 284 TYR A CZ 1 ATOM 1585 O OH . TYR A 1 203 ? -45.138 24.324 -16.549 1.00 26.41 ? 284 TYR A OH 1 ATOM 1586 N N . PRO A 1 204 ? -40.831 28.284 -17.631 1.00 21.76 ? 285 PRO A N 1 ATOM 1587 C CA . PRO A 1 204 ? -41.051 27.020 -18.344 1.00 21.77 ? 285 PRO A CA 1 ATOM 1588 C C . PRO A 1 204 ? -39.896 26.516 -19.221 1.00 20.93 ? 285 PRO A C 1 ATOM 1589 O O . PRO A 1 204 ? -40.060 25.509 -19.912 1.00 21.34 ? 285 PRO A O 1 ATOM 1590 C CB . PRO A 1 204 ? -42.267 27.342 -19.217 1.00 22.30 ? 285 PRO A CB 1 ATOM 1591 C CG . PRO A 1 204 ? -42.092 28.777 -19.551 1.00 22.60 ? 285 PRO A CG 1 ATOM 1592 C CD . PRO A 1 204 ? -41.428 29.422 -18.360 1.00 22.51 ? 285 PRO A CD 1 ATOM 1593 N N . GLY A 1 205 ? -38.744 27.186 -19.182 1.00 20.22 ? 286 GLY A N 1 ATOM 1594 C CA . GLY A 1 205 ? -37.636 26.858 -20.066 1.00 19.47 ? 286 GLY A CA 1 ATOM 1595 C C . GLY A 1 205 ? -36.349 26.504 -19.344 1.00 18.57 ? 286 GLY A C 1 ATOM 1596 O O . GLY A 1 205 ? -36.331 26.282 -18.128 1.00 18.32 ? 286 GLY A O 1 ATOM 1597 N N . VAL A 1 206 ? -35.273 26.443 -20.116 1.00 17.84 ? 287 VAL A N 1 ATOM 1598 C CA . VAL A 1 206 ? -33.943 26.177 -19.597 1.00 17.24 ? 287 VAL A CA 1 ATOM 1599 C C . VAL A 1 206 ? -33.019 27.288 -20.095 1.00 17.07 ? 287 VAL A C 1 ATOM 1600 O O . VAL A 1 206 ? -33.125 27.730 -21.240 1.00 17.10 ? 287 VAL A O 1 ATOM 1601 C CB . VAL A 1 206 ? -33.446 24.787 -20.047 1.00 17.10 ? 287 VAL A CB 1 ATOM 1602 C CG1 . VAL A 1 206 ? -31.999 24.557 -19.643 1.00 16.85 ? 287 VAL A CG1 1 ATOM 1603 C CG2 . VAL A 1 206 ? -34.338 23.702 -19.466 1.00 17.24 ? 287 VAL A CG2 1 ATOM 1604 N N . ARG A 1 207 ? -32.138 27.755 -19.218 1.00 16.97 ? 288 ARG A N 1 ATOM 1605 C CA . ARG A 1 207 ? -31.186 28.806 -19.552 1.00 16.98 ? 288 ARG A CA 1 ATOM 1606 C C . ARG A 1 207 ? -29.768 28.303 -19.287 1.00 16.58 ? 288 ARG A C 1 ATOM 1607 O O . ARG A 1 207 ? -29.523 27.642 -18.278 1.00 16.02 ? 288 ARG A O 1 ATOM 1608 C CB . ARG A 1 207 ? -31.471 30.053 -18.721 1.00 17.68 ? 288 ARG A CB 1 ATOM 1609 C CG . ARG A 1 207 ? -30.485 31.192 -18.933 1.00 18.21 ? 288 ARG A CG 1 ATOM 1610 C CD . ARG A 1 207 ? -31.080 32.516 -18.480 1.00 19.03 ? 288 ARG A CD 1 ATOM 1611 N NE . ARG A 1 207 ? -32.081 33.007 -19.428 1.00 19.77 ? 288 ARG A NE 1 ATOM 1612 C CZ . ARG A 1 207 ? -32.975 33.962 -19.171 1.00 20.84 ? 288 ARG A CZ 1 ATOM 1613 N NH1 . ARG A 1 207 ? -33.027 34.550 -17.984 1.00 20.93 ? 288 ARG A NH1 1 ATOM 1614 N NH2 . ARG A 1 207 ? -33.830 34.333 -20.117 1.00 21.23 ? 288 ARG A NH2 1 ATOM 1615 N N . CYS A 1 208 ? -28.852 28.617 -20.202 1.00 16.34 ? 289 CYS A N 1 ATOM 1616 C CA . CYS A 1 208 ? -27.474 28.157 -20.113 1.00 16.39 ? 289 CYS A CA 1 ATOM 1617 C C . CYS A 1 208 ? -26.536 29.334 -20.238 1.00 16.52 ? 289 CYS A C 1 ATOM 1618 O O . CYS A 1 208 ? -26.763 30.233 -21.053 1.00 16.74 ? 289 CYS A O 1 ATOM 1619 C CB . CYS A 1 208 ? -27.161 27.155 -21.223 1.00 16.29 ? 289 CYS A CB 1 ATOM 1620 S SG . CYS A 1 208 ? -28.283 25.741 -21.306 1.00 16.50 ? 289 CYS A SG 1 ATOM 1621 N N . ILE A 1 209 ? -25.486 29.326 -19.421 1.00 16.49 ? 290 ILE A N 1 ATOM 1622 C CA . ILE A 1 209 ? -24.405 30.300 -19.536 1.00 16.67 ? 290 ILE A CA 1 ATOM 1623 C C . ILE A 1 209 ? -23.176 29.466 -19.881 1.00 16.31 ? 290 ILE A C 1 ATOM 1624 O O . ILE A 1 209 ? -22.871 28.495 -19.190 1.00 15.65 ? 290 ILE A O 1 ATOM 1625 C CB . ILE A 1 209 ? -24.222 31.121 -18.241 1.00 17.07 ? 290 ILE A CB 1 ATOM 1626 C CG1 . ILE A 1 209 ? -25.223 32.290 -18.162 1.00 17.89 ? 290 ILE A CG1 1 ATOM 1627 C CG2 . ILE A 1 209 ? -22.847 31.780 -18.205 1.00 16.90 ? 290 ILE A CG2 1 ATOM 1628 C CD1 . ILE A 1 209 ? -26.692 31.952 -18.217 1.00 18.46 ? 290 ILE A CD1 1 ATOM 1629 N N . CYS A 1 210 ? -22.492 29.826 -20.963 1.00 16.27 ? 291 CYS A N 1 ATOM 1630 C CA . CYS A 1 210 ? -21.504 28.935 -21.564 1.00 16.27 ? 291 CYS A CA 1 ATOM 1631 C C . CYS A 1 210 ? -20.120 29.598 -21.704 1.00 15.76 ? 291 CYS A C 1 ATOM 1632 O O . CYS A 1 210 ? -19.811 30.591 -21.028 1.00 15.53 ? 291 CYS A O 1 ATOM 1633 C CB . CYS A 1 210 ? -22.042 28.412 -22.911 1.00 16.67 ? 291 CYS A CB 1 ATOM 1634 S SG . CYS A 1 210 ? -23.807 27.948 -22.892 1.00 17.25 ? 291 CYS A SG 1 ATOM 1635 N N . ARG A 1 211 ? -19.288 29.015 -22.559 1.00 15.35 ? 292 ARG A N 1 ATOM 1636 C CA . ARG A 1 211 ? -17.923 29.465 -22.794 1.00 15.13 ? 292 ARG A CA 1 ATOM 1637 C C . ARG A 1 211 ? -17.765 29.734 -24.292 1.00 15.39 ? 292 ARG A C 1 ATOM 1638 O O . ARG A 1 211 ? -18.039 28.857 -25.123 1.00 15.25 ? 292 ARG A O 1 ATOM 1639 C CB . ARG A 1 211 ? -16.960 28.370 -22.327 1.00 14.81 ? 292 ARG A CB 1 ATOM 1640 C CG . ARG A 1 211 ? -15.516 28.483 -22.804 1.00 14.81 ? 292 ARG A CG 1 ATOM 1641 C CD . ARG A 1 211 ? -14.739 27.250 -22.366 1.00 14.62 ? 292 ARG A CD 1 ATOM 1642 N NE . ARG A 1 211 ? -13.398 27.176 -22.934 1.00 14.78 ? 292 ARG A NE 1 ATOM 1643 C CZ . ARG A 1 211 ? -12.475 26.283 -22.580 1.00 14.70 ? 292 ARG A CZ 1 ATOM 1644 N NH1 . ARG A 1 211 ? -12.724 25.375 -21.637 1.00 14.50 ? 292 ARG A NH1 1 ATOM 1645 N NH2 . ARG A 1 211 ? -11.288 26.300 -23.166 1.00 14.76 ? 292 ARG A NH2 1 ATOM 1646 N N . ASP A 1 212 ? -17.366 30.958 -24.623 1.00 15.59 ? 293 ASP A N 1 ATOM 1647 C CA . ASP A 1 212 ? -16.986 31.330 -25.983 1.00 15.93 ? 293 ASP A CA 1 ATOM 1648 C C . ASP A 1 212 ? -15.467 31.199 -26.063 1.00 16.03 ? 293 ASP A C 1 ATOM 1649 O O . ASP A 1 212 ? -14.732 31.920 -25.398 1.00 16.08 ? 293 ASP A O 1 ATOM 1650 C CB . ASP A 1 212 ? -17.436 32.759 -26.290 1.00 16.09 ? 293 ASP A CB 1 ATOM 1651 C CG . ASP A 1 212 ? -17.090 33.203 -27.702 1.00 16.49 ? 293 ASP A CG 1 ATOM 1652 O OD1 . ASP A 1 212 ? -15.976 32.893 -28.184 1.00 16.23 ? 293 ASP A OD1 1 ATOM 1653 O OD2 . ASP A 1 212 ? -17.926 33.895 -28.322 1.00 16.53 ? 293 ASP A OD2 1 ATOM 1654 N N . ASN A 1 213 ? -15.010 30.259 -26.875 1.00 16.48 ? 294 ASN A N 1 ATOM 1655 C CA . ASN A 1 213 ? -13.595 29.937 -26.987 1.00 16.97 ? 294 ASN A CA 1 ATOM 1656 C C . ASN A 1 213 ? -12.926 30.630 -28.162 1.00 17.91 ? 294 ASN A C 1 ATOM 1657 O O . ASN A 1 213 ? -11.740 30.406 -28.426 1.00 18.13 ? 294 ASN A O 1 ATOM 1658 C CB . ASN A 1 213 ? -13.428 28.429 -27.134 1.00 16.84 ? 294 ASN A CB 1 ATOM 1659 C CG . ASN A 1 213 ? -12.193 27.914 -26.437 1.00 16.74 ? 294 ASN A CG 1 ATOM 1660 O OD1 . ASN A 1 213 ? -12.014 28.129 -25.237 1.00 16.49 ? 294 ASN A OD1 1 ATOM 1661 N ND2 . ASN A 1 213 ? -11.338 27.224 -27.178 1.00 16.94 ? 294 ASN A ND2 1 ATOM 1662 N N . TRP A 1 214 ? -13.677 31.487 -28.848 1.00 18.31 ? 295 TRP A N 1 ATOM 1663 C CA . TRP A 1 214 ? -13.237 32.042 -30.122 1.00 19.15 ? 295 TRP A CA 1 ATOM 1664 C C . TRP A 1 214 ? -12.970 33.550 -30.023 1.00 19.43 ? 295 TRP A C 1 ATOM 1665 O O . TRP A 1 214 ? -11.814 33.964 -30.078 1.00 19.55 ? 295 TRP A O 1 ATOM 1666 C CB . TRP A 1 214 ? -14.271 31.692 -31.196 1.00 19.49 ? 295 TRP A CB 1 ATOM 1667 C CG . TRP A 1 214 ? -14.005 32.254 -32.565 1.00 20.11 ? 295 TRP A CG 1 ATOM 1668 C CD1 . TRP A 1 214 ? -12.805 32.652 -33.076 1.00 20.38 ? 295 TRP A CD1 1 ATOM 1669 C CD2 . TRP A 1 214 ? -14.969 32.446 -33.601 1.00 20.47 ? 295 TRP A CD2 1 ATOM 1670 N NE1 . TRP A 1 214 ? -12.967 33.107 -34.363 1.00 20.92 ? 295 TRP A NE1 1 ATOM 1671 C CE2 . TRP A 1 214 ? -14.288 32.988 -34.711 1.00 21.00 ? 295 TRP A CE2 1 ATOM 1672 C CE3 . TRP A 1 214 ? -16.348 32.226 -33.696 1.00 20.83 ? 295 TRP A CE3 1 ATOM 1673 C CZ2 . TRP A 1 214 ? -14.938 33.307 -35.904 1.00 21.56 ? 295 TRP A CZ2 1 ATOM 1674 C CZ3 . TRP A 1 214 ? -16.995 32.544 -34.880 1.00 21.27 ? 295 TRP A CZ3 1 ATOM 1675 C CH2 . TRP A 1 214 ? -16.288 33.083 -35.969 1.00 21.63 ? 295 TRP A CH2 1 ATOM 1676 N N . LYS A 1 215 ? -14.021 34.359 -29.852 1.00 19.38 ? 296 LYS A N 1 ATOM 1677 C CA . LYS A 1 215 ? -13.878 35.825 -29.845 1.00 19.62 ? 296 LYS A CA 1 ATOM 1678 C C . LYS A 1 215 ? -14.351 36.536 -28.569 1.00 19.15 ? 296 LYS A C 1 ATOM 1679 O O . LYS A 1 215 ? -14.200 37.748 -28.460 1.00 19.12 ? 296 LYS A O 1 ATOM 1680 C CB . LYS A 1 215 ? -14.621 36.425 -31.042 1.00 20.50 ? 296 LYS A CB 1 ATOM 1681 C CG . LYS A 1 215 ? -14.047 36.017 -32.388 1.00 21.16 ? 296 LYS A CG 1 ATOM 1682 C CD . LYS A 1 215 ? -14.724 36.755 -33.534 1.00 22.04 ? 296 LYS A CD 1 ATOM 1683 C CE . LYS A 1 215 ? -16.124 36.231 -33.796 1.00 22.09 ? 296 LYS A CE 1 ATOM 1684 N NZ . LYS A 1 215 ? -16.709 36.898 -34.994 1.00 22.66 ? 296 LYS A NZ 1 ATOM 1685 N N . GLY A 1 216 ? -14.899 35.799 -27.604 1.00 18.44 ? 297 GLY A N 1 ATOM 1686 C CA . GLY A 1 216 ? -15.516 36.418 -26.430 1.00 18.00 ? 297 GLY A CA 1 ATOM 1687 C C . GLY A 1 216 ? -14.907 36.025 -25.098 1.00 17.61 ? 297 GLY A C 1 ATOM 1688 O O . GLY A 1 216 ? -14.704 34.837 -24.829 1.00 17.28 ? 297 GLY A O 1 ATOM 1689 N N . SER A 1 217 ? -14.605 37.028 -24.272 1.00 17.28 ? 298 SER A N 1 ATOM 1690 C CA . SER A 1 217 ? -14.344 36.821 -22.851 1.00 16.99 ? 298 SER A CA 1 ATOM 1691 C C . SER A 1 217 ? -15.600 37.110 -22.034 1.00 16.55 ? 298 SER A C 1 ATOM 1692 O O . SER A 1 217 ? -15.639 36.845 -20.830 1.00 16.39 ? 298 SER A O 1 ATOM 1693 C CB . SER A 1 217 ? -13.185 37.687 -22.357 1.00 17.21 ? 298 SER A CB 1 ATOM 1694 O OG . SER A 1 217 ? -13.408 39.054 -22.628 1.00 17.54 ? 298 SER A OG 1 ATOM 1695 N N . ASN A 1 218 ? -16.617 37.671 -22.682 1.00 16.50 ? 299 ASN A N 1 ATOM 1696 C CA . ASN A 1 218 ? -17.968 37.663 -22.129 1.00 16.28 ? 299 ASN A CA 1 ATOM 1697 C C . ASN A 1 218 ? -18.625 36.302 -22.391 1.00 16.13 ? 299 ASN A C 1 ATOM 1698 O O . ASN A 1 218 ? -18.361 35.657 -23.418 1.00 15.97 ? 299 ASN A O 1 ATOM 1699 C CB . ASN A 1 218 ? -18.820 38.848 -22.645 1.00 16.52 ? 299 ASN A CB 1 ATOM 1700 C CG . ASN A 1 218 ? -18.832 38.985 -24.165 1.00 16.71 ? 299 ASN A CG 1 ATOM 1701 O OD1 . ASN A 1 218 ? -17.956 38.480 -24.878 1.00 16.73 ? 299 ASN A OD1 1 ATOM 1702 N ND2 . ASN A 1 218 ? -19.824 39.704 -24.666 1.00 16.89 ? 299 ASN A ND2 1 ATOM 1703 N N . ARG A 1 219 ? -19.444 35.841 -21.450 1.00 15.72 ? 300 ARG A N 1 ATOM 1704 C CA . ARG A 1 219 ? -20.028 34.503 -21.555 1.00 15.65 ? 300 ARG A CA 1 ATOM 1705 C C . ARG A 1 219 ? -21.318 34.509 -22.372 1.00 16.18 ? 300 ARG A C 1 ATOM 1706 O O . ARG A 1 219 ? -22.211 35.323 -22.126 1.00 16.17 ? 300 ARG A O 1 ATOM 1707 C CB . ARG A 1 219 ? -20.302 33.906 -20.180 1.00 15.40 ? 300 ARG A CB 1 ATOM 1708 C CG . ARG A 1 219 ? -19.048 33.516 -19.415 1.00 15.16 ? 300 ARG A CG 1 ATOM 1709 C CD . ARG A 1 219 ? -19.350 32.562 -18.274 1.00 14.85 ? 300 ARG A CD 1 ATOM 1710 N NE . ARG A 1 219 ? -18.117 32.153 -17.602 1.00 14.56 ? 300 ARG A NE 1 ATOM 1711 C CZ . ARG A 1 219 ? -17.253 31.259 -18.075 1.00 14.38 ? 300 ARG A CZ 1 ATOM 1712 N NH1 . ARG A 1 219 ? -17.468 30.639 -19.234 1.00 14.40 ? 300 ARG A NH1 1 ATOM 1713 N NH2 . ARG A 1 219 ? -16.148 30.996 -17.389 1.00 14.38 ? 300 ARG A NH2 1 ATOM 1714 N N . PRO A 1 220 ? -21.428 33.585 -23.336 1.00 16.44 ? 301 PRO A N 1 ATOM 1715 C CA . PRO A 1 220 ? -22.675 33.492 -24.081 1.00 16.90 ? 301 PRO A CA 1 ATOM 1716 C C . PRO A 1 220 ? -23.805 32.897 -23.253 1.00 17.25 ? 301 PRO A C 1 ATOM 1717 O O . PRO A 1 220 ? -23.561 32.196 -22.262 1.00 17.33 ? 301 PRO A O 1 ATOM 1718 C CB . PRO A 1 220 ? -22.324 32.603 -25.279 1.00 16.91 ? 301 PRO A CB 1 ATOM 1719 C CG . PRO A 1 220 ? -21.093 31.874 -24.903 1.00 16.57 ? 301 PRO A CG 1 ATOM 1720 C CD . PRO A 1 220 ? -20.403 32.643 -23.817 1.00 16.46 ? 301 PRO A CD 1 ATOM 1721 N N . VAL A 1 221 ? -25.028 33.217 -23.660 1.00 17.55 ? 302 VAL A N 1 ATOM 1722 C CA . VAL A 1 221 ? -26.252 32.703 -23.063 1.00 17.78 ? 302 VAL A CA 1 ATOM 1723 C C . VAL A 1 221 ? -26.969 31.895 -24.134 1.00 17.92 ? 302 VAL A C 1 ATOM 1724 O O . VAL A 1 221 ? -27.014 32.314 -25.284 1.00 17.90 ? 302 VAL A O 1 ATOM 1725 C CB . VAL A 1 221 ? -27.183 33.853 -22.630 1.00 18.15 ? 302 VAL A CB 1 ATOM 1726 C CG1 . VAL A 1 221 ? -28.509 33.314 -22.099 1.00 18.40 ? 302 VAL A CG1 1 ATOM 1727 C CG2 . VAL A 1 221 ? -26.502 34.732 -21.594 1.00 18.56 ? 302 VAL A CG2 1 ATOM 1728 N N . VAL A 1 222 ? -27.500 30.733 -23.770 1.00 17.98 ? 303 VAL A N 1 ATOM 1729 C CA . VAL A 1 222 ? -28.383 29.980 -24.657 1.00 18.33 ? 303 VAL A CA 1 ATOM 1730 C C . VAL A 1 222 ? -29.695 29.775 -23.916 1.00 18.82 ? 303 VAL A C 1 ATOM 1731 O O . VAL A 1 222 ? -29.702 29.286 -22.780 1.00 18.57 ? 303 VAL A O 1 ATOM 1732 C CB . VAL A 1 222 ? -27.790 28.612 -25.073 1.00 18.24 ? 303 VAL A CB 1 ATOM 1733 C CG1 . VAL A 1 222 ? -28.744 27.862 -25.992 1.00 18.48 ? 303 VAL A CG1 1 ATOM 1734 C CG2 . VAL A 1 222 ? -26.439 28.797 -25.751 1.00 18.20 ? 303 VAL A CG2 1 ATOM 1735 N N . ASP A 1 223 ? -30.792 30.186 -24.546 1.00 19.32 ? 304 ASP A N 1 ATOM 1736 C CA . ASP A 1 223 ? -32.128 30.024 -23.984 1.00 20.42 ? 304 ASP A CA 1 ATOM 1737 C C . ASP A 1 223 ? -32.873 28.961 -24.776 1.00 20.13 ? 304 ASP A C 1 ATOM 1738 O O . ASP A 1 223 ? -32.982 29.052 -26.004 1.00 20.13 ? 304 ASP A O 1 ATOM 1739 C CB . ASP A 1 223 ? -32.910 31.341 -24.034 1.00 21.76 ? 304 ASP A CB 1 ATOM 1740 C CG . ASP A 1 223 ? -32.543 32.279 -22.910 1.00 23.18 ? 304 ASP A CG 1 ATOM 1741 O OD1 . ASP A 1 223 ? -32.431 31.813 -21.755 1.00 24.26 ? 304 ASP A OD1 1 ATOM 1742 O OD2 . ASP A 1 223 ? -32.375 33.491 -23.173 1.00 25.24 ? 304 ASP A OD2 1 ATOM 1743 N N . ILE A 1 224 ? -33.397 27.973 -24.059 1.00 19.69 ? 305 ILE A N 1 ATOM 1744 C CA . ILE A 1 224 ? -34.014 26.803 -24.664 1.00 19.48 ? 305 ILE A CA 1 ATOM 1745 C C . ILE A 1 224 ? -35.492 26.770 -24.320 1.00 20.10 ? 305 ILE A C 1 ATOM 1746 O O . ILE A 1 224 ? -35.864 26.694 -23.146 1.00 19.61 ? 305 ILE A O 1 ATOM 1747 C CB . ILE A 1 224 ? -33.349 25.504 -24.155 1.00 18.72 ? 305 ILE A CB 1 ATOM 1748 C CG1 . ILE A 1 224 ? -31.839 25.540 -24.413 1.00 18.30 ? 305 ILE A CG1 1 ATOM 1749 C CG2 . ILE A 1 224 ? -33.981 24.282 -24.809 1.00 18.84 ? 305 ILE A CG2 1 ATOM 1750 C CD1 . ILE A 1 224 ? -31.070 24.444 -23.707 1.00 17.83 ? 305 ILE A CD1 1 ATOM 1751 N N . ASN A 1 225 ? -36.328 26.835 -25.354 1.00 20.93 ? 306 ASN A N 1 ATOM 1752 C CA . ASN A 1 225 ? -37.772 26.748 -25.196 1.00 22.12 ? 306 ASN A CA 1 ATOM 1753 C C . ASN A 1 225 ? -38.190 25.284 -25.269 1.00 22.44 ? 306 ASN A C 1 ATOM 1754 O O . ASN A 1 225 ? -38.062 24.642 -26.305 1.00 22.23 ? 306 ASN A O 1 ATOM 1755 C CB . ASN A 1 225 ? -38.478 27.584 -26.270 1.00 22.88 ? 306 ASN A CB 1 ATOM 1756 C CG . ASN A 1 225 ? -39.991 27.581 -26.118 1.00 23.61 ? 306 ASN A CG 1 ATOM 1757 O OD1 . ASN A 1 225 ? -40.611 26.531 -25.924 1.00 24.20 ? 306 ASN A OD1 1 ATOM 1758 N ND2 . ASN A 1 225 ? -40.594 28.756 -26.229 1.00 24.21 ? 306 ASN A ND2 1 ATOM 1759 N N . MET A 1 226 ? -38.683 24.765 -24.152 1.00 23.30 ? 307 MET A N 1 ATOM 1760 C CA . MET A 1 226 ? -39.011 23.354 -24.028 1.00 24.02 ? 307 MET A CA 1 ATOM 1761 C C . MET A 1 226 ? -40.375 23.020 -24.631 1.00 26.11 ? 307 MET A C 1 ATOM 1762 O O . MET A 1 226 ? -40.665 21.853 -24.871 1.00 26.59 ? 307 MET A O 1 ATOM 1763 C CB . MET A 1 226 ? -38.984 22.945 -22.554 1.00 23.62 ? 307 MET A CB 1 ATOM 1764 C CG . MET A 1 226 ? -37.642 23.179 -21.879 1.00 22.90 ? 307 MET A CG 1 ATOM 1765 S SD . MET A 1 226 ? -36.366 22.047 -22.462 1.00 22.31 ? 307 MET A SD 1 ATOM 1766 C CE . MET A 1 226 ? -36.811 20.561 -21.575 1.00 22.53 ? 307 MET A CE 1 ATOM 1767 N N . GLU A 1 227 ? -41.205 24.036 -24.867 1.00 28.40 ? 308 GLU A N 1 ATOM 1768 C CA . GLU A 1 227 ? -42.514 23.837 -25.499 1.00 30.65 ? 308 GLU A CA 1 ATOM 1769 C C . GLU A 1 227 ? -42.394 23.586 -27.003 1.00 29.41 ? 308 GLU A C 1 ATOM 1770 O O . GLU A 1 227 ? -42.913 22.595 -27.502 1.00 30.34 ? 308 GLU A O 1 ATOM 1771 C CB . GLU A 1 227 ? -43.442 25.038 -25.256 1.00 33.60 ? 308 GLU A CB 1 ATOM 1772 C CG . GLU A 1 227 ? -44.460 24.853 -24.138 1.00 36.86 ? 308 GLU A CG 1 ATOM 1773 C CD . GLU A 1 227 ? -44.036 25.484 -22.826 1.00 38.74 ? 308 GLU A CD 1 ATOM 1774 O OE1 . GLU A 1 227 ? -44.672 26.483 -22.407 1.00 40.32 ? 308 GLU A OE1 1 ATOM 1775 O OE2 . GLU A 1 227 ? -43.068 24.983 -22.215 1.00 41.43 ? 308 GLU A OE2 1 ATOM 1776 N N . ASP A 1 228 ? -41.718 24.480 -27.722 1.00 27.73 ? 309 ASP A N 1 ATOM 1777 C CA . ASP A 1 228 ? -41.621 24.367 -29.187 1.00 27.09 ? 309 ASP A CA 1 ATOM 1778 C C . ASP A 1 228 ? -40.209 24.069 -29.719 1.00 25.56 ? 309 ASP A C 1 ATOM 1779 O O . ASP A 1 228 ? -39.999 24.035 -30.929 1.00 25.17 ? 309 ASP A O 1 ATOM 1780 C CB . ASP A 1 228 ? -42.217 25.610 -29.869 1.00 27.92 ? 309 ASP A CB 1 ATOM 1781 C CG . ASP A 1 228 ? -41.412 26.878 -29.626 1.00 28.28 ? 309 ASP A CG 1 ATOM 1782 O OD1 . ASP A 1 228 ? -40.282 26.809 -29.103 1.00 27.34 ? 309 ASP A OD1 1 ATOM 1783 O OD2 . ASP A 1 228 ? -41.918 27.960 -29.991 1.00 29.92 ? 309 ASP A OD2 1 ATOM 1784 N N . TYR A 1 229 ? -39.255 23.858 -28.815 1.00 23.84 ? 310 TYR A N 1 ATOM 1785 C CA . TYR A 1 229 ? -37.867 23.536 -29.179 1.00 22.88 ? 310 TYR A CA 1 ATOM 1786 C C . TYR A 1 229 ? -37.075 24.692 -29.800 1.00 21.96 ? 310 TYR A C 1 ATOM 1787 O O . TYR A 1 229 ? -35.966 24.475 -30.299 1.00 21.54 ? 310 TYR A O 1 ATOM 1788 C CB . TYR A 1 229 ? -37.801 22.329 -30.121 1.00 23.26 ? 310 TYR A CB 1 ATOM 1789 C CG . TYR A 1 229 ? -38.527 21.103 -29.632 1.00 23.89 ? 310 TYR A CG 1 ATOM 1790 C CD1 . TYR A 1 229 ? -38.356 20.638 -28.334 1.00 24.20 ? 310 TYR A CD1 1 ATOM 1791 C CD2 . TYR A 1 229 ? -39.374 20.393 -30.476 1.00 24.89 ? 310 TYR A CD2 1 ATOM 1792 C CE1 . TYR A 1 229 ? -39.019 19.508 -27.887 1.00 24.50 ? 310 TYR A CE1 1 ATOM 1793 C CE2 . TYR A 1 229 ? -40.029 19.259 -30.041 1.00 25.26 ? 310 TYR A CE2 1 ATOM 1794 C CZ . TYR A 1 229 ? -39.849 18.823 -28.748 1.00 25.18 ? 310 TYR A CZ 1 ATOM 1795 O OH . TYR A 1 229 ? -40.505 17.699 -28.309 1.00 26.25 ? 310 TYR A OH 1 ATOM 1796 N N . SER A 1 230 ? -37.617 25.908 -29.764 1.00 21.10 ? 311 SER A N 1 ATOM 1797 C CA . SER A 1 230 ? -36.908 27.054 -30.323 1.00 20.70 ? 311 SER A CA 1 ATOM 1798 C C . SER A 1 230 ? -35.748 27.464 -29.423 1.00 19.94 ? 311 SER A C 1 ATOM 1799 O O . SER A 1 230 ? -35.772 27.252 -28.200 1.00 19.28 ? 311 SER A O 1 ATOM 1800 C CB . SER A 1 230 ? -37.850 28.242 -30.584 1.00 21.21 ? 311 SER A CB 1 ATOM 1801 O OG . SER A 1 230 ? -38.534 28.663 -29.417 1.00 21.55 ? 311 SER A OG 1 ATOM 1802 N N . ILE A 1 231 ? -34.741 28.061 -30.049 1.00 19.61 ? 312 ILE A N 1 ATOM 1803 C CA . ILE A 1 231 ? -33.498 28.413 -29.390 1.00 19.41 ? 312 ILE A CA 1 ATOM 1804 C C . ILE A 1 231 ? -33.214 29.895 -29.601 1.00 19.69 ? 312 ILE A C 1 ATOM 1805 O O . ILE A 1 231 ? -33.417 30.429 -30.695 1.00 20.06 ? 312 ILE A O 1 ATOM 1806 C CB . ILE A 1 231 ? -32.315 27.607 -29.979 1.00 19.01 ? 312 ILE A CB 1 ATOM 1807 C CG1 . ILE A 1 231 ? -32.608 26.097 -29.965 1.00 18.88 ? 312 ILE A CG1 1 ATOM 1808 C CG2 . ILE A 1 231 ? -31.025 27.936 -29.245 1.00 18.76 ? 312 ILE A CG2 1 ATOM 1809 C CD1 . ILE A 1 231 ? -32.845 25.497 -28.595 1.00 18.88 ? 312 ILE A CD1 1 ATOM 1810 N N . ASP A 1 232 ? -32.737 30.548 -28.551 1.00 19.52 ? 313 ASP A N 1 ATOM 1811 C CA . ASP A 1 232 ? -32.239 31.905 -28.652 1.00 20.07 ? 313 ASP A CA 1 ATOM 1812 C C . ASP A 1 232 ? -30.873 31.938 -27.979 1.00 19.20 ? 313 ASP A C 1 ATOM 1813 O O . ASP A 1 232 ? -30.539 31.052 -27.189 1.00 18.82 ? 313 ASP A O 1 ATOM 1814 C CB . ASP A 1 232 ? -33.218 32.880 -27.989 1.00 21.19 ? 313 ASP A CB 1 ATOM 1815 C CG . ASP A 1 232 ? -32.939 34.334 -28.341 1.00 22.53 ? 313 ASP A CG 1 ATOM 1816 O OD1 . ASP A 1 232 ? -32.311 34.613 -29.391 1.00 23.09 ? 313 ASP A OD1 1 ATOM 1817 O OD2 . ASP A 1 232 ? -33.351 35.208 -27.548 1.00 23.96 ? 313 ASP A OD2 1 ATOM 1818 N N . SER A 1 233 ? -30.072 32.938 -28.315 1.00 18.71 ? 314 SER A N 1 ATOM 1819 C CA . SER A 1 233 ? -28.775 33.096 -27.680 1.00 18.03 ? 314 SER A CA 1 ATOM 1820 C C . SER A 1 233 ? -28.298 34.535 -27.743 1.00 18.15 ? 314 SER A C 1 ATOM 1821 O O . SER A 1 233 ? -28.724 35.308 -28.606 1.00 18.08 ? 314 SER A O 1 ATOM 1822 C CB . SER A 1 233 ? -27.741 32.150 -28.310 1.00 17.64 ? 314 SER A CB 1 ATOM 1823 O OG . SER A 1 233 ? -27.416 32.515 -29.637 1.00 17.79 ? 314 SER A OG 1 ATOM 1824 N N . SER A 1 234 ? -27.407 34.875 -26.816 1.00 17.92 ? 315 SER A N 1 ATOM 1825 C CA . SER A 1 234 ? -26.881 36.229 -26.679 1.00 18.22 ? 315 SER A CA 1 ATOM 1826 C C . SER A 1 234 ? -25.621 36.165 -25.805 1.00 17.88 ? 315 SER A C 1 ATOM 1827 O O . SER A 1 234 ? -25.007 35.104 -25.707 1.00 17.53 ? 315 SER A O 1 ATOM 1828 C CB . SER A 1 234 ? -27.963 37.146 -26.090 1.00 18.58 ? 315 SER A CB 1 ATOM 1829 O OG . SER A 1 234 ? -28.405 36.656 -24.838 1.00 18.97 ? 315 SER A OG 1 ATOM 1830 N N . TYR A 1 235 ? -25.224 37.276 -25.189 1.00 17.84 ? 316 TYR A N 1 ATOM 1831 C CA . TYR A 1 235 ? -24.146 37.261 -24.196 1.00 17.52 ? 316 TYR A CA 1 ATOM 1832 C C . TYR A 1 235 ? -24.622 37.902 -22.896 1.00 17.55 ? 316 TYR A C 1 ATOM 1833 O O . TYR A 1 235 ? -25.524 38.750 -22.895 1.00 17.53 ? 316 TYR A O 1 ATOM 1834 C CB . TYR A 1 235 ? -22.883 37.964 -24.730 1.00 17.58 ? 316 TYR A CB 1 ATOM 1835 C CG . TYR A 1 235 ? -22.176 37.178 -25.813 1.00 17.37 ? 316 TYR A CG 1 ATOM 1836 C CD1 . TYR A 1 235 ? -22.650 37.185 -27.121 1.00 17.57 ? 316 TYR A CD1 1 ATOM 1837 C CD2 . TYR A 1 235 ? -21.036 36.425 -25.531 1.00 17.02 ? 316 TYR A CD2 1 ATOM 1838 C CE1 . TYR A 1 235 ? -22.023 36.457 -28.113 1.00 17.50 ? 316 TYR A CE1 1 ATOM 1839 C CE2 . TYR A 1 235 ? -20.403 35.687 -26.519 1.00 17.04 ? 316 TYR A CE2 1 ATOM 1840 C CZ . TYR A 1 235 ? -20.900 35.707 -27.810 1.00 17.39 ? 316 TYR A CZ 1 ATOM 1841 O OH . TYR A 1 235 ? -20.278 34.982 -28.805 1.00 17.43 ? 316 TYR A OH 1 ATOM 1842 N N . VAL A 1 236 ? -24.018 37.486 -21.790 1.00 17.07 ? 317 VAL A N 1 ATOM 1843 C CA . VAL A 1 236 ? -24.288 38.096 -20.495 1.00 17.32 ? 317 VAL A CA 1 ATOM 1844 C C . VAL A 1 236 ? -23.956 39.595 -20.580 1.00 17.94 ? 317 VAL A C 1 ATOM 1845 O O . VAL A 1 236 ? -22.877 39.963 -21.051 1.00 17.49 ? 317 VAL A O 1 ATOM 1846 C CB . VAL A 1 236 ? -23.458 37.414 -19.384 1.00 17.06 ? 317 VAL A CB 1 ATOM 1847 C CG1 . VAL A 1 236 ? -23.572 38.173 -18.075 1.00 17.10 ? 317 VAL A CG1 1 ATOM 1848 C CG2 . VAL A 1 236 ? -23.906 35.969 -19.204 1.00 16.83 ? 317 VAL A CG2 1 ATOM 1849 N N . CYS A 1 237 ? -24.897 40.441 -20.146 1.00 18.60 ? 318 CYS A N 1 ATOM 1850 C CA . CYS A 1 237 ? -24.750 41.905 -20.232 1.00 19.33 ? 318 CYS A CA 1 ATOM 1851 C C . CYS A 1 237 ? -23.593 42.466 -19.409 1.00 18.98 ? 318 CYS A C 1 ATOM 1852 O O . CYS A 1 237 ? -22.958 43.433 -19.816 1.00 18.91 ? 318 CYS A O 1 ATOM 1853 C CB . CYS A 1 237 ? -26.038 42.614 -19.789 1.00 20.39 ? 318 CYS A CB 1 ATOM 1854 S SG . CYS A 1 237 ? -27.391 42.572 -20.982 1.00 21.39 ? 318 CYS A SG 1 ATOM 1855 N N . SER A 1 238 ? -23.342 41.862 -18.249 1.00 18.62 ? 319 SER A N 1 ATOM 1856 C CA . SER A 1 238 ? -22.364 42.362 -17.285 1.00 18.29 ? 319 SER A CA 1 ATOM 1857 C C . SER A 1 238 ? -21.029 42.785 -17.906 1.00 18.35 ? 319 SER A C 1 ATOM 1858 O O . SER A 1 238 ? -20.417 42.035 -18.665 1.00 17.86 ? 319 SER A O 1 ATOM 1859 C CB . SER A 1 238 ? -22.091 41.298 -16.220 1.00 18.04 ? 319 SER A CB 1 ATOM 1860 O OG . SER A 1 238 ? -21.105 41.739 -15.301 1.00 17.88 ? 319 SER A OG 1 ATOM 1861 N N . GLY A 1 239 ? -20.590 43.992 -17.562 1.00 18.58 ? 320 GLY A N 1 ATOM 1862 C CA . GLY A 1 239 ? -19.275 44.482 -17.936 1.00 18.64 ? 320 GLY A CA 1 ATOM 1863 C C . GLY A 1 239 ? -18.171 43.850 -17.113 1.00 18.64 ? 320 GLY A C 1 ATOM 1864 O O . GLY A 1 239 ? -17.001 43.941 -17.476 1.00 18.91 ? 320 GLY A O 1 ATOM 1865 N N . LEU A 1 240 ? -18.537 43.241 -15.985 1.00 18.37 ? 321 LEU A N 1 ATOM 1866 C CA . LEU A 1 240 ? -17.633 42.353 -15.266 1.00 18.17 ? 321 LEU A CA 1 ATOM 1867 C C . LEU A 1 240 ? -17.842 40.982 -15.885 1.00 17.71 ? 321 LEU A C 1 ATOM 1868 O O . LEU A 1 240 ? -18.844 40.311 -15.614 1.00 17.51 ? 321 LEU A O 1 ATOM 1869 C CB . LEU A 1 240 ? -17.941 42.344 -13.769 1.00 18.26 ? 321 LEU A CB 1 ATOM 1870 C CG . LEU A 1 240 ? -17.924 43.729 -13.116 1.00 18.63 ? 321 LEU A CG 1 ATOM 1871 C CD1 . LEU A 1 240 ? -18.383 43.646 -11.670 1.00 18.63 ? 321 LEU A CD1 1 ATOM 1872 C CD2 . LEU A 1 240 ? -16.545 44.362 -13.223 1.00 18.99 ? 321 LEU A CD2 1 ATOM 1873 N N . VAL A 1 241 ? -16.913 40.587 -16.752 1.00 17.31 ? 322 VAL A N 1 ATOM 1874 C CA . VAL A 1 241 ? -17.093 39.392 -17.576 1.00 17.03 ? 322 VAL A CA 1 ATOM 1875 C C . VAL A 1 241 ? -16.568 38.139 -16.874 1.00 16.82 ? 322 VAL A C 1 ATOM 1876 O O . VAL A 1 241 ? -15.727 38.221 -15.977 1.00 16.72 ? 322 VAL A O 1 ATOM 1877 C CB . VAL A 1 241 ? -16.461 39.552 -18.979 1.00 17.12 ? 322 VAL A CB 1 ATOM 1878 C CG1 . VAL A 1 241 ? -16.988 40.809 -19.654 1.00 17.48 ? 322 VAL A CG1 1 ATOM 1879 C CG2 . VAL A 1 241 ? -14.938 39.569 -18.916 1.00 17.15 ? 322 VAL A CG2 1 ATOM 1880 N N . GLY A 1 242 ? -17.076 36.984 -17.294 1.00 16.50 ? 323 GLY A N 1 ATOM 1881 C CA . GLY A 1 242 ? -16.890 35.737 -16.551 1.00 16.14 ? 323 GLY A CA 1 ATOM 1882 C C . GLY A 1 242 ? -15.832 34.762 -17.038 1.00 16.07 ? 323 GLY A C 1 ATOM 1883 O O . GLY A 1 242 ? -15.531 33.794 -16.339 1.00 15.74 ? 323 GLY A O 1 ATOM 1884 N N . ASP A 1 243 ? -15.279 34.989 -18.227 1.00 15.96 ? 324 ASP A N 1 ATOM 1885 C CA . ASP A 1 243 ? -14.349 34.034 -18.823 1.00 15.98 ? 324 ASP A CA 1 ATOM 1886 C C . ASP A 1 243 ? -12.928 34.305 -18.346 1.00 16.26 ? 324 ASP A C 1 ATOM 1887 O O . ASP A 1 243 ? -12.647 35.343 -17.742 1.00 16.53 ? 324 ASP A O 1 ATOM 1888 C CB . ASP A 1 243 ? -14.419 34.096 -20.361 1.00 16.06 ? 324 ASP A CB 1 ATOM 1889 C CG . ASP A 1 243 ? -14.060 32.777 -21.036 1.00 15.80 ? 324 ASP A CG 1 ATOM 1890 O OD1 . ASP A 1 243 ? -13.813 31.773 -20.337 1.00 15.58 ? 324 ASP A OD1 1 ATOM 1891 O OD2 . ASP A 1 243 ? -14.039 32.739 -22.290 1.00 15.97 ? 324 ASP A OD2 1 ATOM 1892 N N . THR A 1 244 ? -12.050 33.346 -18.610 1.00 16.44 ? 325 THR A N 1 ATOM 1893 C CA . THR A 1 244 ? -10.611 33.491 -18.397 1.00 16.71 ? 325 THR A CA 1 ATOM 1894 C C . THR A 1 244 ? -9.933 32.878 -19.618 1.00 16.94 ? 325 THR A C 1 ATOM 1895 O O . THR A 1 244 ? -10.156 31.704 -19.906 1.00 16.60 ? 325 THR A O 1 ATOM 1896 C CB . THR A 1 244 ? -10.143 32.756 -17.127 1.00 16.68 ? 325 THR A CB 1 ATOM 1897 O OG1 . THR A 1 244 ? -10.929 33.182 -16.011 1.00 16.62 ? 325 THR A OG1 1 ATOM 1898 C CG2 . THR A 1 244 ? -8.674 33.050 -16.837 1.00 16.93 ? 325 THR A CG2 1 ATOM 1899 N N . PRO A 1 245 ? -9.114 33.659 -20.350 1.00 17.39 ? 326 PRO A N 1 ATOM 1900 C CA . PRO A 1 245 ? -8.690 35.029 -20.073 1.00 17.78 ? 326 PRO A CA 1 ATOM 1901 C C . PRO A 1 245 ? -9.752 36.098 -20.331 1.00 17.98 ? 326 PRO A C 1 ATOM 1902 O O . PRO A 1 245 ? -10.793 35.828 -20.937 1.00 18.08 ? 326 PRO A O 1 ATOM 1903 C CB . PRO A 1 245 ? -7.501 35.223 -21.019 1.00 18.18 ? 326 PRO A CB 1 ATOM 1904 C CG . PRO A 1 245 ? -7.782 34.320 -22.162 1.00 18.17 ? 326 PRO A CG 1 ATOM 1905 C CD . PRO A 1 245 ? -8.490 33.129 -21.576 1.00 17.75 ? 326 PRO A CD 1 ATOM 1906 N N . ARG A 1 246 ? -9.466 37.298 -19.846 1.00 18.14 ? 327 ARG A N 1 ATOM 1907 C CA . ARG A 1 246 ? -10.327 38.464 -20.007 1.00 18.38 ? 327 ARG A CA 1 ATOM 1908 C C . ARG A 1 246 ? -9.500 39.711 -19.711 1.00 19.27 ? 327 ARG A C 1 ATOM 1909 O O . ARG A 1 246 ? -8.414 39.609 -19.134 1.00 18.88 ? 327 ARG A O 1 ATOM 1910 C CB . ARG A 1 246 ? -11.510 38.393 -19.038 1.00 17.81 ? 327 ARG A CB 1 ATOM 1911 C CG . ARG A 1 246 ? -11.102 38.320 -17.572 1.00 17.59 ? 327 ARG A CG 1 ATOM 1912 C CD . ARG A 1 246 ? -12.286 38.415 -16.624 1.00 17.38 ? 327 ARG A CD 1 ATOM 1913 N NE . ARG A 1 246 ? -11.823 38.480 -15.240 1.00 17.18 ? 327 ARG A NE 1 ATOM 1914 C CZ . ARG A 1 246 ? -11.550 37.434 -14.461 1.00 16.89 ? 327 ARG A CZ 1 ATOM 1915 N NH1 . ARG A 1 246 ? -11.115 37.640 -13.223 1.00 17.02 ? 327 ARG A NH1 1 ATOM 1916 N NH2 . ARG A 1 246 ? -11.718 36.190 -14.890 1.00 16.76 ? 327 ARG A NH2 1 ATOM 1917 N N . ASN A 1 247 ? -10.014 40.879 -20.093 1.00 20.12 ? 328 ASN A N 1 ATOM 1918 C CA . ASN A 1 247 ? -9.403 42.149 -19.692 1.00 21.07 ? 328 ASN A CA 1 ATOM 1919 C C . ASN A 1 247 ? -9.656 42.402 -18.215 1.00 21.65 ? 328 ASN A C 1 ATOM 1920 O O . ASN A 1 247 ? -10.545 41.795 -17.624 1.00 20.77 ? 328 ASN A O 1 ATOM 1921 C CB . ASN A 1 247 ? -9.975 43.317 -20.499 1.00 21.55 ? 328 ASN A CB 1 ATOM 1922 C CG . ASN A 1 247 ? -9.458 43.363 -21.921 1.00 21.87 ? 328 ASN A CG 1 ATOM 1923 O OD1 . ASN A 1 247 ? -8.602 42.575 -22.315 1.00 22.08 ? 328 ASN A OD1 1 ATOM 1924 N ND2 . ASN A 1 247 ? -9.982 44.294 -22.702 1.00 22.21 ? 328 ASN A ND2 1 ATOM 1925 N N . ASP A 1 248 ? -8.877 43.302 -17.621 1.00 23.06 ? 329 ASP A N 1 ATOM 1926 C CA . ASP A 1 248 ? -9.160 43.748 -16.256 1.00 24.24 ? 329 ASP A CA 1 ATOM 1927 C C . ASP A 1 248 ? -10.510 44.477 -16.205 1.00 23.79 ? 329 ASP A C 1 ATOM 1928 O O . ASP A 1 248 ? -11.067 44.850 -17.244 1.00 22.90 ? 329 ASP A O 1 ATOM 1929 C CB . ASP A 1 248 ? -8.013 44.604 -15.686 1.00 26.49 ? 329 ASP A CB 1 ATOM 1930 C CG . ASP A 1 248 ? -7.792 45.898 -16.443 1.00 28.66 ? 329 ASP A CG 1 ATOM 1931 O OD1 . ASP A 1 248 ? -8.762 46.486 -16.972 1.00 30.56 ? 329 ASP A OD1 1 ATOM 1932 O OD2 . ASP A 1 248 ? -6.627 46.348 -16.487 1.00 31.98 ? 329 ASP A OD2 1 ATOM 1933 N N . ASP A 1 249 ? -11.034 44.654 -14.998 1.00 23.48 ? 330 ASP A N 1 ATOM 1934 C CA . ASP A 1 249 ? -12.379 45.193 -14.801 1.00 23.86 ? 330 ASP A CA 1 ATOM 1935 C C . ASP A 1 249 ? -12.567 46.604 -15.365 1.00 24.41 ? 330 ASP A C 1 ATOM 1936 O O . ASP A 1 249 ? -13.674 46.965 -15.747 1.00 24.54 ? 330 ASP A O 1 ATOM 1937 C CB . ASP A 1 249 ? -12.747 45.185 -13.312 1.00 24.24 ? 330 ASP A CB 1 ATOM 1938 C CG . ASP A 1 249 ? -13.034 43.781 -12.779 1.00 24.54 ? 330 ASP A CG 1 ATOM 1939 O OD1 . ASP A 1 249 ? -12.997 42.807 -13.549 1.00 25.28 ? 330 ASP A OD1 1 ATOM 1940 O OD2 . ASP A 1 249 ? -13.317 43.648 -11.576 1.00 25.27 ? 330 ASP A OD2 1 ATOM 1941 N N . SER A 1 250 ? -11.495 47.390 -15.420 1.00 24.63 ? 331 SER A N 1 ATOM 1942 C CA . SER A 1 250 ? -11.581 48.758 -15.931 1.00 25.57 ? 331 SER A CA 1 ATOM 1943 C C . SER A 1 250 ? -11.646 48.834 -17.462 1.00 25.38 ? 331 SER A C 1 ATOM 1944 O O . SER A 1 250 ? -12.034 49.867 -18.006 1.00 26.35 ? 331 SER A O 1 ATOM 1945 C CB . SER A 1 250 ? -10.403 49.592 -15.424 1.00 26.39 ? 331 SER A CB 1 ATOM 1946 O OG . SER A 1 250 ? -9.184 49.139 -15.991 1.00 27.48 ? 331 SER A OG 1 ATOM 1947 N N . SER A 1 251 ? -11.263 47.762 -18.154 1.00 24.36 ? 332 SER A N 1 ATOM 1948 C CA . SER A 1 251 ? -11.213 47.773 -19.621 1.00 24.29 ? 332 SER A CA 1 ATOM 1949 C C . SER A 1 251 ? -11.988 46.622 -20.278 1.00 23.44 ? 332 SER A C 1 ATOM 1950 O O . SER A 1 251 ? -11.845 46.388 -21.479 1.00 23.63 ? 332 SER A O 1 ATOM 1951 C CB . SER A 1 251 ? -9.754 47.760 -20.084 1.00 24.79 ? 332 SER A CB 1 ATOM 1952 O OG . SER A 1 251 ? -9.100 46.575 -19.667 1.00 25.10 ? 332 SER A OG 1 ATOM 1953 N N . SER A 1 252 ? -12.802 45.913 -19.495 1.00 22.27 ? 333 SER A N 1 ATOM 1954 C CA . SER A 1 252 ? -13.636 44.825 -20.007 1.00 21.70 ? 333 SER A CA 1 ATOM 1955 C C . SER A 1 252 ? -15.004 45.371 -20.423 1.00 21.49 ? 333 SER A C 1 ATOM 1956 O O . SER A 1 252 ? -15.508 46.315 -19.815 1.00 21.33 ? 333 SER A O 1 ATOM 1957 C CB . SER A 1 252 ? -13.803 43.727 -18.951 1.00 21.27 ? 333 SER A CB 1 ATOM 1958 O OG . SER A 1 252 ? -14.339 44.239 -17.738 1.00 21.35 ? 333 SER A OG 1 ATOM 1959 N N . ASN A 1 253 ? -15.600 44.776 -21.452 1.00 21.41 ? 334 ASN A N 1 ATOM 1960 C CA . ASN A 1 253 ? -16.908 45.213 -21.942 1.00 21.48 ? 334 ASN A CA 1 ATOM 1961 C C . ASN A 1 253 ? -17.801 44.058 -22.379 1.00 20.57 ? 334 ASN A C 1 ATOM 1962 O O . ASN A 1 253 ? -17.316 43.008 -22.789 1.00 19.89 ? 334 ASN A O 1 ATOM 1963 C CB . ASN A 1 253 ? -16.751 46.165 -23.133 1.00 22.14 ? 334 ASN A CB 1 ATOM 1964 C CG . ASN A 1 253 ? -16.011 47.436 -22.776 1.00 23.15 ? 334 ASN A CG 1 ATOM 1965 O OD1 . ASN A 1 253 ? -16.605 48.404 -22.302 1.00 24.09 ? 334 ASN A OD1 1 ATOM 1966 N ND2 . ASN A 1 253 ? -14.707 47.440 -23.005 1.00 23.42 ? 334 ASN A ND2 1 ATOM 1967 N N . SER A 1 254 ? -19.110 44.276 -22.294 1.00 20.14 ? 335 SER A N 1 ATOM 1968 C CA . SER A 1 254 ? -20.090 43.431 -22.971 1.00 19.83 ? 335 SER A CA 1 ATOM 1969 C C . SER A 1 254 ? -21.293 44.275 -23.396 1.00 20.19 ? 335 SER A C 1 ATOM 1970 O O . SER A 1 254 ? -21.742 45.133 -22.635 1.00 20.09 ? 335 SER A O 1 ATOM 1971 C CB . SER A 1 254 ? -20.554 42.288 -22.069 1.00 19.43 ? 335 SER A CB 1 ATOM 1972 O OG . SER A 1 254 ? -21.445 41.429 -22.771 1.00 18.97 ? 335 SER A OG 1 ATOM 1973 N N . ASN A 1 255 ? -21.808 44.022 -24.601 1.00 20.34 ? 336 ASN A N 1 ATOM 1974 C CA . ASN A 1 255 ? -23.018 44.705 -25.095 1.00 20.73 ? 336 ASN A CA 1 ATOM 1975 C C . ASN A 1 255 ? -24.281 43.829 -25.110 1.00 20.94 ? 336 ASN A C 1 ATOM 1976 O O . ASN A 1 255 ? -25.298 44.220 -25.681 1.00 21.17 ? 336 ASN A O 1 ATOM 1977 C CB . ASN A 1 255 ? -22.771 45.314 -26.482 1.00 21.07 ? 336 ASN A CB 1 ATOM 1978 C CG . ASN A 1 255 ? -22.672 44.274 -27.592 1.00 20.98 ? 336 ASN A CG 1 ATOM 1979 O OD1 . ASN A 1 255 ? -22.707 43.064 -27.359 1.00 20.69 ? 336 ASN A OD1 1 ATOM 1980 N ND2 . ASN A 1 255 ? -22.546 44.756 -28.817 1.00 21.39 ? 336 ASN A ND2 1 ATOM 1981 N N . CYS A 1 256 ? -24.202 42.654 -24.480 1.00 20.95 ? 337 CYS A N 1 ATOM 1982 C CA . CYS A 1 256 ? -25.310 41.681 -24.386 1.00 21.13 ? 337 CYS A CA 1 ATOM 1983 C C . CYS A 1 256 ? -25.559 40.873 -25.659 1.00 21.11 ? 337 CYS A C 1 ATOM 1984 O O . CYS A 1 256 ? -26.322 39.913 -25.614 1.00 20.78 ? 337 CYS A O 1 ATOM 1985 C CB . CYS A 1 256 ? -26.656 42.316 -23.964 1.00 21.86 ? 337 CYS A CB 1 ATOM 1986 S SG . CYS A 1 256 ? -26.644 43.533 -22.628 1.00 22.79 ? 337 CYS A SG 1 ATOM 1987 N N . ARG A 1 257 ? -24.946 41.250 -26.784 1.00 21.48 ? 338 ARG A N 1 ATOM 1988 C CA . ARG A 1 257 ? -25.319 40.681 -28.091 1.00 22.12 ? 338 ARG A CA 1 ATOM 1989 C C . ARG A 1 257 ? -24.176 40.004 -28.849 1.00 21.21 ? 338 ARG A C 1 ATOM 1990 O O . ARG A 1 257 ? -24.391 38.981 -29.508 1.00 20.58 ? 338 ARG A O 1 ATOM 1991 C CB . ARG A 1 257 ? -25.932 41.768 -28.986 1.00 23.64 ? 338 ARG A CB 1 ATOM 1992 C CG . ARG A 1 257 ? -27.076 42.527 -28.334 1.00 25.04 ? 338 ARG A CG 1 ATOM 1993 C CD . ARG A 1 257 ? -27.833 43.394 -29.333 1.00 26.57 ? 338 ARG A CD 1 ATOM 1994 N NE . ARG A 1 257 ? -26.955 44.326 -30.045 1.00 28.29 ? 338 ARG A NE 1 ATOM 1995 C CZ . ARG A 1 257 ? -26.710 45.588 -29.688 1.00 29.96 ? 338 ARG A CZ 1 ATOM 1996 N NH1 . ARG A 1 257 ? -27.269 46.134 -28.606 1.00 30.43 ? 338 ARG A NH1 1 ATOM 1997 N NH2 . ARG A 1 257 ? -25.893 46.324 -30.437 1.00 31.43 ? 338 ARG A NH2 1 ATOM 1998 N N . ASN A 1 258 ? -22.978 40.581 -28.775 1.00 20.55 ? 339 ASN A N 1 ATOM 1999 C CA . ASN A 1 258 ? -21.842 40.107 -29.557 1.00 20.33 ? 339 ASN A CA 1 ATOM 2000 C C . ASN A 1 258 ? -20.691 39.695 -28.662 1.00 19.43 ? 339 ASN A C 1 ATOM 2001 O O . ASN A 1 258 ? -20.578 40.183 -27.537 1.00 19.14 ? 339 ASN A O 1 ATOM 2002 C CB . ASN A 1 258 ? -21.341 41.206 -30.492 1.00 20.95 ? 339 ASN A CB 1 ATOM 2003 C CG . ASN A 1 258 ? -22.446 41.823 -31.320 1.00 21.80 ? 339 ASN A CG 1 ATOM 2004 O OD1 . ASN A 1 258 ? -22.585 43.041 -31.362 1.00 22.89 ? 339 ASN A OD1 1 ATOM 2005 N ND2 . ASN A 1 258 ? -23.237 40.989 -31.982 1.00 22.12 ? 339 ASN A ND2 1 ATOM 2006 N N . PRO A 1 259 ? -19.820 38.805 -29.164 1.00 18.80 ? 340 PRO A N 1 ATOM 2007 C CA . PRO A 1 259 ? -18.572 38.565 -28.445 1.00 18.59 ? 340 PRO A CA 1 ATOM 2008 C C . PRO A 1 259 ? -17.764 39.863 -28.395 1.00 18.97 ? 340 PRO A C 1 ATOM 2009 O O . PRO A 1 259 ? -17.771 40.633 -29.359 1.00 19.15 ? 340 PRO A O 1 ATOM 2010 C CB . PRO A 1 259 ? -17.873 37.497 -29.291 1.00 18.41 ? 340 PRO A CB 1 ATOM 2011 C CG . PRO A 1 259 ? -18.443 37.656 -30.660 1.00 18.73 ? 340 PRO A CG 1 ATOM 2012 C CD . PRO A 1 259 ? -19.868 38.083 -30.448 1.00 18.84 ? 340 PRO A CD 1 ATOM 2013 N N . ASN A 1 260 ? -17.093 40.110 -27.278 1.00 18.78 ? 341 ASN A N 1 ATOM 2014 C CA . ASN A 1 260 ? -16.458 41.407 -27.044 1.00 19.26 ? 341 ASN A CA 1 ATOM 2015 C C . ASN A 1 260 ? -15.090 41.599 -27.717 1.00 20.04 ? 341 ASN A C 1 ATOM 2016 O O . ASN A 1 260 ? -14.561 42.707 -27.735 1.00 20.19 ? 341 ASN A O 1 ATOM 2017 C CB . ASN A 1 260 ? -16.379 41.700 -25.538 1.00 18.89 ? 341 ASN A CB 1 ATOM 2018 C CG . ASN A 1 260 ? -15.556 40.675 -24.764 1.00 18.42 ? 341 ASN A CG 1 ATOM 2019 O OD1 . ASN A 1 260 ? -14.919 39.790 -25.340 1.00 18.41 ? 341 ASN A OD1 1 ATOM 2020 N ND2 . ASN A 1 260 ? -15.563 40.801 -23.444 1.00 18.13 ? 341 ASN A ND2 1 ATOM 2021 N N . ASN A 1 261 ? -14.535 40.528 -28.281 1.00 20.46 ? 342 ASN A N 1 ATOM 2022 C CA . ASN A 1 261 ? -13.213 40.573 -28.907 1.00 21.30 ? 342 ASN A CA 1 ATOM 2023 C C . ASN A 1 261 ? -12.131 41.120 -27.976 1.00 21.44 ? 342 ASN A C 1 ATOM 2024 O O . ASN A 1 261 ? -11.218 41.822 -28.409 1.00 21.58 ? 342 ASN A O 1 ATOM 2025 C CB . ASN A 1 261 ? -13.274 41.355 -30.222 1.00 22.24 ? 342 ASN A CB 1 ATOM 2026 C CG . ASN A 1 261 ? -13.972 40.582 -31.314 1.00 22.80 ? 342 ASN A CG 1 ATOM 2027 O OD1 . ASN A 1 261 ? -13.480 39.549 -31.754 1.00 23.53 ? 342 ASN A OD1 1 ATOM 2028 N ND2 . ASN A 1 261 ? -15.119 41.074 -31.756 1.00 23.41 ? 342 ASN A ND2 1 ATOM 2029 N N . GLU A 1 262 ? -12.244 40.776 -26.697 1.00 21.30 ? 343 GLU A N 1 ATOM 2030 C CA . GLU A 1 262 ? -11.261 41.142 -25.690 1.00 21.82 ? 343 GLU A CA 1 ATOM 2031 C C . GLU A 1 262 ? -10.665 39.857 -25.124 1.00 22.17 ? 343 GLU A C 1 ATOM 2032 O O . GLU A 1 262 ? -11.332 39.144 -24.381 1.00 21.71 ? 343 GLU A O 1 ATOM 2033 C CB . GLU A 1 262 ? -11.935 41.945 -24.586 1.00 21.87 ? 343 GLU A CB 1 ATOM 2034 C CG . GLU A 1 262 ? -12.405 43.315 -25.048 1.00 22.42 ? 343 GLU A CG 1 ATOM 2035 C CD . GLU A 1 262 ? -13.327 44.002 -24.061 1.00 22.59 ? 343 GLU A CD 1 ATOM 2036 O OE1 . GLU A 1 262 ? -13.657 43.417 -23.004 1.00 22.31 ? 343 GLU A OE1 1 ATOM 2037 O OE2 . GLU A 1 262 ? -13.720 45.151 -24.346 1.00 23.02 ? 343 GLU A OE2 1 ATOM 2038 N N . ARG A 1 263 ? -9.425 39.553 -25.500 1.00 23.32 ? 344 ARG A N 1 ATOM 2039 C CA . ARG A 1 263 ? -8.786 38.292 -25.110 1.00 24.13 ? 344 ARG A CA 1 ATOM 2040 C C . ARG A 1 263 ? -9.777 37.130 -25.247 1.00 22.95 ? 344 ARG A C 1 ATOM 2041 O O . ARG A 1 263 ? -9.936 36.307 -24.338 1.00 22.18 ? 344 ARG A O 1 ATOM 2042 C CB . ARG A 1 263 ? -8.252 38.398 -23.683 1.00 26.09 ? 344 ARG A CB 1 ATOM 2043 C CG . ARG A 1 263 ? -7.242 39.529 -23.510 1.00 28.71 ? 344 ARG A CG 1 ATOM 2044 C CD . ARG A 1 263 ? -6.059 39.102 -22.663 1.00 31.65 ? 344 ARG A CD 1 ATOM 2045 N NE . ARG A 1 263 ? -5.433 37.901 -23.218 1.00 34.21 ? 344 ARG A NE 1 ATOM 2046 C CZ . ARG A 1 263 ? -4.654 37.058 -22.538 1.00 37.13 ? 344 ARG A CZ 1 ATOM 2047 N NH1 . ARG A 1 263 ? -4.363 37.267 -21.251 1.00 38.15 ? 344 ARG A NH1 1 ATOM 2048 N NH2 . ARG A 1 263 ? -4.159 35.989 -23.154 1.00 38.56 ? 344 ARG A NH2 1 ATOM 2049 N N . GLY A 1 264 ? -10.442 37.086 -26.395 1.00 21.98 ? 345 GLY A N 1 ATOM 2050 C CA . GLY A 1 264 ? -11.578 36.200 -26.606 1.00 21.53 ? 345 GLY A CA 1 ATOM 2051 C C . GLY A 1 264 ? -11.221 34.739 -26.766 1.00 21.31 ? 345 GLY A C 1 ATOM 2052 O O . GLY A 1 264 ? -11.953 33.863 -26.297 1.00 20.41 ? 345 GLY A O 1 ATOM 2053 N N . THR A 1 265 ? -10.100 34.465 -27.428 1.00 21.58 ? 346 THR A N 1 ATOM 2054 C CA . THR A 1 265 ? -9.705 33.086 -27.687 1.00 22.01 ? 346 THR A CA 1 ATOM 2055 C C . THR A 1 265 ? -9.443 32.349 -26.377 1.00 21.33 ? 346 THR A C 1 ATOM 2056 O O . THR A 1 265 ? -9.061 32.958 -25.380 1.00 21.01 ? 346 THR A O 1 ATOM 2057 C CB . THR A 1 265 ? -8.478 32.978 -28.619 1.00 23.39 ? 346 THR A CB 1 ATOM 2058 O OG1 . THR A 1 265 ? -8.307 31.610 -29.001 1.00 25.24 ? 346 THR A OG1 1 ATOM 2059 C CG2 . THR A 1 265 ? -7.215 33.468 -27.944 1.00 23.78 ? 346 THR A CG2 1 ATOM 2060 N N . GLN A 1 266 ? -9.675 31.042 -26.399 1.00 21.09 ? 347 GLN A N 1 ATOM 2061 C CA . GLN A 1 266 ? -9.601 30.194 -25.214 1.00 21.16 ? 347 GLN A CA 1 ATOM 2062 C C . GLN A 1 266 ? -10.680 30.585 -24.196 1.00 19.33 ? 347 GLN A C 1 ATOM 2063 O O . GLN A 1 266 ? -11.555 31.399 -24.484 1.00 18.01 ? 347 GLN A O 1 ATOM 2064 C CB . GLN A 1 266 ? -8.194 30.214 -24.608 1.00 24.00 ? 347 GLN A CB 1 ATOM 2065 C CG . GLN A 1 266 ? -7.114 29.754 -25.575 1.00 26.81 ? 347 GLN A CG 1 ATOM 2066 C CD . GLN A 1 266 ? -5.720 29.866 -24.983 1.00 30.16 ? 347 GLN A CD 1 ATOM 2067 O OE1 . GLN A 1 266 ? -5.275 30.954 -24.608 1.00 33.40 ? 347 GLN A OE1 1 ATOM 2068 N NE2 . GLN A 1 266 ? -5.018 28.738 -24.904 1.00 32.19 ? 347 GLN A NE2 1 ATOM 2069 N N . GLY A 1 267 ? -10.629 29.988 -23.013 1.00 17.71 ? 348 GLY A N 1 ATOM 2070 C CA . GLY A 1 267 ? -11.681 30.177 -22.035 1.00 17.00 ? 348 GLY A CA 1 ATOM 2071 C C . GLY A 1 267 ? -11.600 29.143 -20.934 1.00 16.06 ? 348 GLY A C 1 ATOM 2072 O O . GLY A 1 267 ? -10.633 28.390 -20.836 1.00 15.61 ? 348 GLY A O 1 ATOM 2073 N N . VAL A 1 268 ? -12.633 29.128 -20.103 1.00 15.38 ? 349 VAL A N 1 ATOM 2074 C CA . VAL A 1 268 ? -12.784 28.150 -19.042 1.00 14.70 ? 349 VAL A CA 1 ATOM 2075 C C . VAL A 1 268 ? -14.281 27.977 -18.820 1.00 14.31 ? 349 VAL A C 1 ATOM 2076 O O . VAL A 1 268 ? -15.041 28.938 -18.943 1.00 14.43 ? 349 VAL A O 1 ATOM 2077 C CB . VAL A 1 268 ? -12.086 28.606 -17.742 1.00 14.51 ? 349 VAL A CB 1 ATOM 2078 C CG1 . VAL A 1 268 ? -12.802 29.795 -17.106 1.00 14.52 ? 349 VAL A CG1 1 ATOM 2079 C CG2 . VAL A 1 268 ? -11.968 27.454 -16.749 1.00 14.30 ? 349 VAL A CG2 1 ATOM 2080 N N . LYS A 1 269 ? -14.712 26.757 -18.524 1.00 14.02 ? 350 LYS A N 1 ATOM 2081 C CA . LYS A 1 269 ? -16.115 26.533 -18.200 1.00 13.80 ? 350 LYS A CA 1 ATOM 2082 C C . LYS A 1 269 ? -16.482 27.316 -16.949 1.00 13.80 ? 350 LYS A C 1 ATOM 2083 O O . LYS A 1 269 ? -15.748 27.294 -15.962 1.00 13.73 ? 350 LYS A O 1 ATOM 2084 C CB . LYS A 1 269 ? -16.391 25.052 -17.958 1.00 13.80 ? 350 LYS A CB 1 ATOM 2085 C CG . LYS A 1 269 ? -17.841 24.760 -17.608 1.00 13.77 ? 350 LYS A CG 1 ATOM 2086 C CD . LYS A 1 269 ? -18.056 23.287 -17.329 1.00 13.67 ? 350 LYS A CD 1 ATOM 2087 C CE . LYS A 1 269 ? -19.455 23.020 -16.810 1.00 13.69 ? 350 LYS A CE 1 ATOM 2088 N NZ . LYS A 1 269 ? -20.519 23.340 -17.802 1.00 13.92 ? 350 LYS A NZ 1 ATOM 2089 N N . GLY A 1 270 ? -17.638 27.977 -16.986 1.00 13.88 ? 351 GLY A N 1 ATOM 2090 C CA . GLY A 1 270 ? -18.132 28.732 -15.847 1.00 13.97 ? 351 GLY A CA 1 ATOM 2091 C C . GLY A 1 270 ? -19.642 28.860 -15.853 1.00 14.08 ? 351 GLY A C 1 ATOM 2092 O O . GLY A 1 270 ? -20.336 28.157 -16.594 1.00 13.80 ? 351 GLY A O 1 ATOM 2093 N N . TRP A 1 271 ? -20.153 29.762 -15.022 1.00 14.41 ? 352 TRP A N 1 ATOM 2094 C CA . TRP A 1 271 ? -21.596 29.862 -14.813 1.00 14.47 ? 352 TRP A CA 1 ATOM 2095 C C . TRP A 1 271 ? -22.018 31.251 -14.364 1.00 14.79 ? 352 TRP A C 1 ATOM 2096 O O . TRP A 1 271 ? -21.206 32.055 -13.909 1.00 14.81 ? 352 TRP A O 1 ATOM 2097 C CB . TRP A 1 271 ? -22.047 28.844 -13.753 1.00 14.65 ? 352 TRP A CB 1 ATOM 2098 C CG . TRP A 1 271 ? -21.444 29.118 -12.418 1.00 14.77 ? 352 TRP A CG 1 ATOM 2099 C CD1 . TRP A 1 271 ? -20.245 28.651 -11.952 1.00 14.74 ? 352 TRP A CD1 1 ATOM 2100 C CD2 . TRP A 1 271 ? -21.978 29.956 -11.385 1.00 15.02 ? 352 TRP A CD2 1 ATOM 2101 N NE1 . TRP A 1 271 ? -20.008 29.138 -10.691 1.00 14.91 ? 352 TRP A NE1 1 ATOM 2102 C CE2 . TRP A 1 271 ? -21.051 29.947 -10.320 1.00 14.96 ? 352 TRP A CE2 1 ATOM 2103 C CE3 . TRP A 1 271 ? -23.158 30.708 -11.250 1.00 15.31 ? 352 TRP A CE3 1 ATOM 2104 C CZ2 . TRP A 1 271 ? -21.257 30.667 -9.140 1.00 15.19 ? 352 TRP A CZ2 1 ATOM 2105 C CZ3 . TRP A 1 271 ? -23.360 31.429 -10.077 1.00 15.48 ? 352 TRP A CZ3 1 ATOM 2106 C CH2 . TRP A 1 271 ? -22.413 31.396 -9.035 1.00 15.55 ? 352 TRP A CH2 1 ATOM 2107 N N . ALA A 1 272 ? -23.313 31.506 -14.483 1.00 15.04 ? 353 ALA A N 1 ATOM 2108 C CA . ALA A 1 272 ? -23.937 32.689 -13.918 1.00 15.36 ? 353 ALA A CA 1 ATOM 2109 C C . ALA A 1 272 ? -25.426 32.415 -13.948 1.00 15.59 ? 353 ALA A C 1 ATOM 2110 O O . ALA A 1 272 ? -25.868 31.494 -14.631 1.00 15.82 ? 353 ALA A O 1 ATOM 2111 C CB . ALA A 1 272 ? -23.602 33.933 -14.727 1.00 15.53 ? 353 ALA A CB 1 ATOM 2112 N N . PHE A 1 273 ? -26.201 33.178 -13.195 1.00 16.05 ? 354 PHE A N 1 ATOM 2113 C CA . PHE A 1 273 ? -27.650 33.089 -13.324 1.00 16.41 ? 354 PHE A CA 1 ATOM 2114 C C . PHE A 1 273 ? -28.306 34.434 -13.035 1.00 17.20 ? 354 PHE A C 1 ATOM 2115 O O . PHE A 1 273 ? -27.775 35.254 -12.283 1.00 17.34 ? 354 PHE A O 1 ATOM 2116 C CB . PHE A 1 273 ? -28.238 31.951 -12.465 1.00 16.25 ? 354 PHE A CB 1 ATOM 2117 C CG . PHE A 1 273 ? -28.105 32.152 -10.973 1.00 16.14 ? 354 PHE A CG 1 ATOM 2118 C CD1 . PHE A 1 273 ? -29.099 32.801 -10.255 1.00 16.36 ? 354 PHE A CD1 1 ATOM 2119 C CD2 . PHE A 1 273 ? -27.002 31.659 -10.283 1.00 16.11 ? 354 PHE A CD2 1 ATOM 2120 C CE1 . PHE A 1 273 ? -28.990 32.972 -8.882 1.00 16.36 ? 354 PHE A CE1 1 ATOM 2121 C CE2 . PHE A 1 273 ? -26.885 31.830 -8.911 1.00 16.05 ? 354 PHE A CE2 1 ATOM 2122 C CZ . PHE A 1 273 ? -27.880 32.488 -8.212 1.00 16.25 ? 354 PHE A CZ 1 ATOM 2123 N N . ASP A 1 274 ? -29.447 34.653 -13.675 1.00 18.29 ? 355 ASP A N 1 ATOM 2124 C CA . ASP A 1 274 ? -30.188 35.907 -13.541 1.00 19.26 ? 355 ASP A CA 1 ATOM 2125 C C . ASP A 1 274 ? -31.055 35.915 -12.292 1.00 19.80 ? 355 ASP A C 1 ATOM 2126 O O . ASP A 1 274 ? -31.562 34.880 -11.869 1.00 19.54 ? 355 ASP A O 1 ATOM 2127 C CB . ASP A 1 274 ? -31.080 36.128 -14.763 1.00 19.78 ? 355 ASP A CB 1 ATOM 2128 C CG . ASP A 1 274 ? -32.161 35.075 -14.899 1.00 20.22 ? 355 ASP A CG 1 ATOM 2129 O OD1 . ASP A 1 274 ? -31.838 33.924 -15.256 1.00 20.42 ? 355 ASP A OD1 1 ATOM 2130 O OD2 . ASP A 1 274 ? -33.345 35.398 -14.666 1.00 20.76 ? 355 ASP A OD2 1 ATOM 2131 N N . ASN A 1 275 ? -31.206 37.092 -11.698 1.00 20.83 ? 356 ASN A N 1 ATOM 2132 C CA . ASN A 1 275 ? -32.280 37.336 -10.752 1.00 21.90 ? 356 ASN A CA 1 ATOM 2133 C C . ASN A 1 275 ? -32.870 38.710 -11.036 1.00 21.55 ? 356 ASN A C 1 ATOM 2134 O O . ASN A 1 275 ? -32.331 39.732 -10.602 1.00 21.18 ? 356 ASN A O 1 ATOM 2135 C CB . ASN A 1 275 ? -31.800 37.260 -9.311 1.00 23.26 ? 356 ASN A CB 1 ATOM 2136 C CG . ASN A 1 275 ? -32.945 37.387 -8.329 1.00 24.99 ? 356 ASN A CG 1 ATOM 2137 O OD1 . ASN A 1 275 ? -33.926 36.636 -8.404 1.00 27.72 ? 356 ASN A OD1 1 ATOM 2138 N ND2 . ASN A 1 275 ? -32.850 38.348 -7.425 1.00 25.50 ? 356 ASN A ND2 1 ATOM 2139 N N . GLY A 1 276 ? -33.967 38.719 -11.781 1.00 21.58 ? 357 GLY A N 1 ATOM 2140 C CA . GLY A 1 276 ? -34.551 39.960 -12.266 1.00 21.95 ? 357 GLY A CA 1 ATOM 2141 C C . GLY A 1 276 ? -33.556 40.623 -13.193 1.00 21.57 ? 357 GLY A C 1 ATOM 2142 O O . GLY A 1 276 ? -33.069 39.998 -14.134 1.00 21.44 ? 357 GLY A O 1 ATOM 2143 N N . ASN A 1 277 ? -33.227 41.875 -12.899 1.00 21.32 ? 358 ASN A N 1 ATOM 2144 C CA . ASN A 1 277 ? -32.256 42.622 -13.684 1.00 21.22 ? 358 ASN A CA 1 ATOM 2145 C C . ASN A 1 277 ? -30.807 42.325 -13.301 1.00 20.39 ? 358 ASN A C 1 ATOM 2146 O O . ASN A 1 277 ? -29.891 42.679 -14.039 1.00 19.91 ? 358 ASN A O 1 ATOM 2147 C CB . ASN A 1 277 ? -32.518 44.121 -13.541 1.00 21.88 ? 358 ASN A CB 1 ATOM 2148 C CG . ASN A 1 277 ? -33.856 44.530 -14.120 1.00 22.67 ? 358 ASN A CG 1 ATOM 2149 O OD1 . ASN A 1 277 ? -34.206 44.149 -15.235 1.00 23.07 ? 358 ASN A OD1 1 ATOM 2150 N ND2 . ASN A 1 277 ? -34.611 45.310 -13.362 1.00 23.45 ? 358 ASN A ND2 1 ATOM 2151 N N . ASP A 1 278 ? -30.613 41.674 -12.154 1.00 19.86 ? 359 ASP A N 1 ATOM 2152 C CA . ASP A 1 278 ? -29.280 41.424 -11.609 1.00 19.39 ? 359 ASP A CA 1 ATOM 2153 C C . ASP A 1 278 ? -28.738 40.053 -12.005 1.00 18.68 ? 359 ASP A C 1 ATOM 2154 O O . ASP A 1 278 ? -29.473 39.198 -12.505 1.00 18.25 ? 359 ASP A O 1 ATOM 2155 C CB . ASP A 1 278 ? -29.312 41.532 -10.088 1.00 19.75 ? 359 ASP A CB 1 ATOM 2156 C CG . ASP A 1 278 ? -29.814 42.877 -9.606 1.00 20.68 ? 359 ASP A CG 1 ATOM 2157 O OD1 . ASP A 1 278 ? -29.633 43.888 -10.318 1.00 20.71 ? 359 ASP A OD1 1 ATOM 2158 O OD2 . ASP A 1 278 ? -30.390 42.920 -8.500 1.00 21.50 ? 359 ASP A OD2 1 ATOM 2159 N N . LEU A 1 279 ? -27.443 39.860 -11.767 1.00 18.08 ? 360 LEU A N 1 ATOM 2160 C CA . LEU A 1 279 ? -26.737 38.639 -12.152 1.00 17.70 ? 360 LEU A CA 1 ATOM 2161 C C . LEU A 1 279 ? -25.871 38.149 -11.002 1.00 17.24 ? 360 LEU A C 1 ATOM 2162 O O . LEU A 1 279 ? -25.071 38.914 -10.459 1.00 17.12 ? 360 LEU A O 1 ATOM 2163 C CB . LEU A 1 279 ? -25.837 38.916 -13.356 1.00 17.86 ? 360 LEU A CB 1 ATOM 2164 C CG . LEU A 1 279 ? -25.098 37.706 -13.944 1.00 17.82 ? 360 LEU A CG 1 ATOM 2165 C CD1 . LEU A 1 279 ? -25.995 36.954 -14.916 1.00 17.98 ? 360 LEU A CD1 1 ATOM 2166 C CD2 . LEU A 1 279 ? -23.820 38.147 -14.638 1.00 17.89 ? 360 LEU A CD2 1 ATOM 2167 N N . TRP A 1 280 ? -26.034 36.881 -10.636 1.00 16.64 ? 361 TRP A N 1 ATOM 2168 C CA . TRP A 1 280 ? -25.080 36.207 -9.763 1.00 16.28 ? 361 TRP A CA 1 ATOM 2169 C C . TRP A 1 280 ? -24.111 35.457 -10.665 1.00 15.98 ? 361 TRP A C 1 ATOM 2170 O O . TRP A 1 280 ? -24.531 34.785 -11.607 1.00 15.88 ? 361 TRP A O 1 ATOM 2171 C CB . TRP A 1 280 ? -25.785 35.231 -8.821 1.00 16.35 ? 361 TRP A CB 1 ATOM 2172 C CG . TRP A 1 280 ? -26.498 35.881 -7.675 1.00 16.55 ? 361 TRP A CG 1 ATOM 2173 C CD1 . TRP A 1 280 ? -27.837 36.126 -7.575 1.00 16.86 ? 361 TRP A CD1 1 ATOM 2174 C CD2 . TRP A 1 280 ? -25.911 36.356 -6.457 1.00 16.69 ? 361 TRP A CD2 1 ATOM 2175 N NE1 . TRP A 1 280 ? -28.119 36.724 -6.371 1.00 17.05 ? 361 TRP A NE1 1 ATOM 2176 C CE2 . TRP A 1 280 ? -26.953 36.881 -5.668 1.00 16.93 ? 361 TRP A CE2 1 ATOM 2177 C CE3 . TRP A 1 280 ? -24.604 36.392 -5.959 1.00 16.54 ? 361 TRP A CE3 1 ATOM 2178 C CZ2 . TRP A 1 280 ? -26.730 37.431 -4.402 1.00 17.26 ? 361 TRP A CZ2 1 ATOM 2179 C CZ3 . TRP A 1 280 ? -24.383 36.942 -4.698 1.00 16.79 ? 361 TRP A CZ3 1 ATOM 2180 C CH2 . TRP A 1 280 ? -25.440 37.451 -3.936 1.00 17.01 ? 361 TRP A CH2 1 ATOM 2181 N N . MET A 1 281 ? -22.815 35.579 -10.388 1.00 15.72 ? 362 MET A N 1 ATOM 2182 C CA . MET A 1 281 ? -21.803 34.931 -11.213 1.00 15.55 ? 362 MET A CA 1 ATOM 2183 C C . MET A 1 281 ? -20.560 34.584 -10.407 1.00 15.43 ? 362 MET A C 1 ATOM 2184 O O . MET A 1 281 ? -20.280 35.198 -9.373 1.00 15.30 ? 362 MET A O 1 ATOM 2185 C CB . MET A 1 281 ? -21.414 35.824 -12.403 1.00 15.74 ? 362 MET A CB 1 ATOM 2186 C CG . MET A 1 281 ? -20.920 37.222 -12.030 1.00 16.00 ? 362 MET A CG 1 ATOM 2187 S SD . MET A 1 281 ? -20.209 38.121 -13.425 1.00 16.44 ? 362 MET A SD 1 ATOM 2188 C CE . MET A 1 281 ? -18.592 37.350 -13.541 1.00 16.13 ? 362 MET A CE 1 ATOM 2189 N N . GLY A 1 282 ? -19.837 33.579 -10.893 1.00 15.23 ? 363 GLY A N 1 ATOM 2190 C CA . GLY A 1 282 ? -18.511 33.253 -10.400 1.00 15.19 ? 363 GLY A CA 1 ATOM 2191 C C . GLY A 1 282 ? -17.486 33.437 -11.500 1.00 15.23 ? 363 GLY A C 1 ATOM 2192 O O . GLY A 1 282 ? -17.820 33.477 -12.689 1.00 14.99 ? 363 GLY A O 1 ATOM 2193 N N . ARG A 1 283 ? -16.226 33.564 -11.103 1.00 15.26 ? 364 ARG A N 1 ATOM 2194 C CA . ARG A 1 283 ? -15.120 33.578 -12.056 1.00 15.27 ? 364 ARG A CA 1 ATOM 2195 C C . ARG A 1 283 ? -13.824 33.342 -11.311 1.00 15.06 ? 364 ARG A C 1 ATOM 2196 O O . ARG A 1 283 ? -13.787 33.418 -10.080 1.00 14.77 ? 364 ARG A O 1 ATOM 2197 C CB . ARG A 1 283 ? -15.049 34.912 -12.809 1.00 15.64 ? 364 ARG A CB 1 ATOM 2198 C CG . ARG A 1 283 ? -14.882 36.133 -11.912 1.00 15.96 ? 364 ARG A CG 1 ATOM 2199 C CD . ARG A 1 283 ? -14.862 37.425 -12.714 1.00 16.49 ? 364 ARG A CD 1 ATOM 2200 N NE . ARG A 1 283 ? -14.457 38.564 -11.895 1.00 16.93 ? 364 ARG A NE 1 ATOM 2201 C CZ . ARG A 1 283 ? -14.344 39.816 -12.336 1.00 17.48 ? 364 ARG A CZ 1 ATOM 2202 N NH1 . ARG A 1 283 ? -14.610 40.125 -13.604 1.00 17.62 ? 364 ARG A NH1 1 ATOM 2203 N NH2 . ARG A 1 283 ? -13.956 40.767 -11.500 1.00 17.96 ? 364 ARG A NH2 1 ATOM 2204 N N . THR A 1 284 ? -12.763 33.054 -12.057 1.00 15.41 ? 365 THR A N 1 ATOM 2205 C CA . THR A 1 284 ? -11.432 32.973 -11.463 1.00 15.66 ? 365 THR A CA 1 ATOM 2206 C C . THR A 1 284 ? -11.048 34.379 -11.009 1.00 16.17 ? 365 THR A C 1 ATOM 2207 O O . THR A 1 284 ? -11.505 35.369 -11.591 1.00 16.16 ? 365 THR A O 1 ATOM 2208 C CB . THR A 1 284 ? -10.377 32.438 -12.450 1.00 15.58 ? 365 THR A CB 1 ATOM 2209 O OG1 . THR A 1 284 ? -10.209 33.364 -13.532 1.00 15.80 ? 365 THR A OG1 1 ATOM 2210 C CG2 . THR A 1 284 ? -10.793 31.083 -12.999 1.00 15.48 ? 365 THR A CG2 1 ATOM 2211 N N . ILE A 1 285 ? -10.225 34.475 -9.970 1.00 16.40 ? 366 ILE A N 1 ATOM 2212 C CA . ILE A 1 285 ? -9.798 35.788 -9.487 1.00 16.86 ? 366 ILE A CA 1 ATOM 2213 C C . ILE A 1 285 ? -8.783 36.363 -10.469 1.00 17.38 ? 366 ILE A C 1 ATOM 2214 O O . ILE A 1 285 ? -8.867 37.530 -10.839 1.00 17.36 ? 366 ILE A O 1 ATOM 2215 C CB . ILE A 1 285 ? -9.242 35.738 -8.049 1.00 16.87 ? 366 ILE A CB 1 ATOM 2216 C CG1 . ILE A 1 285 ? -10.384 35.443 -7.070 1.00 16.65 ? 366 ILE A CG1 1 ATOM 2217 C CG2 . ILE A 1 285 ? -8.564 37.058 -7.693 1.00 17.19 ? 366 ILE A CG2 1 ATOM 2218 C CD1 . ILE A 1 285 ? -9.950 35.163 -5.647 1.00 16.60 ? 366 ILE A CD1 1 ATOM 2219 N N . SER A 1 286 ? -7.845 35.536 -10.912 1.00 17.84 ? 367 SER A N 1 ATOM 2220 C CA . SER A 1 286 ? -6.897 35.945 -11.943 1.00 18.90 ? 367 SER A CA 1 ATOM 2221 C C . SER A 1 286 ? -7.602 36.149 -13.283 1.00 19.73 ? 367 SER A C 1 ATOM 2222 O O . SER A 1 286 ? -8.481 35.373 -13.658 1.00 18.85 ? 367 SER A O 1 ATOM 2223 C CB . SER A 1 286 ? -5.786 34.907 -12.095 1.00 18.85 ? 367 SER A CB 1 ATOM 2224 O OG . SER A 1 286 ? -4.975 35.193 -13.220 1.00 19.13 ? 367 SER A OG 1 ATOM 2225 N N . LYS A 1 287 ? -7.217 37.198 -14.004 1.00 21.32 ? 368 LYS A N 1 ATOM 2226 C CA . LYS A 1 287 ? -7.816 37.473 -15.307 1.00 22.81 ? 368 LYS A CA 1 ATOM 2227 C C . LYS A 1 287 ? -7.153 36.676 -16.430 1.00 23.14 ? 368 LYS A C 1 ATOM 2228 O O . LYS A 1 287 ? -7.699 36.602 -17.526 1.00 22.31 ? 368 LYS A O 1 ATOM 2229 C CB . LYS A 1 287 ? -7.799 38.980 -15.623 1.00 24.19 ? 368 LYS A CB 1 ATOM 2230 C CG . LYS A 1 287 ? -6.440 39.572 -15.948 1.00 25.99 ? 368 LYS A CG 1 ATOM 2231 C CD . LYS A 1 287 ? -6.505 41.093 -15.977 1.00 27.71 ? 368 LYS A CD 1 ATOM 2232 C CE . LYS A 1 287 ? -5.122 41.726 -16.048 1.00 28.97 ? 368 LYS A CE 1 ATOM 2233 N NZ . LYS A 1 287 ? -4.387 41.327 -17.280 1.00 29.57 ? 368 LYS A NZ 1 ATOM 2234 N N . GLU A 1 288 ? -5.983 36.095 -16.166 1.00 24.26 ? 369 GLU A N 1 ATOM 2235 C CA . GLU A 1 288 ? -5.226 35.371 -17.196 1.00 26.08 ? 369 GLU A CA 1 ATOM 2236 C C . GLU A 1 288 ? -5.110 33.868 -16.934 1.00 24.48 ? 369 GLU A C 1 ATOM 2237 O O . GLU A 1 288 ? -5.008 33.092 -17.875 1.00 24.62 ? 369 GLU A O 1 ATOM 2238 C CB . GLU A 1 288 ? -3.822 35.970 -17.346 1.00 29.66 ? 369 GLU A CB 1 ATOM 2239 C CG . GLU A 1 288 ? -3.813 37.463 -17.643 1.00 32.95 ? 369 GLU A CG 1 ATOM 2240 C CD . GLU A 1 288 ? -2.485 38.127 -17.327 1.00 36.92 ? 369 GLU A CD 1 ATOM 2241 O OE1 . GLU A 1 288 ? -1.449 37.671 -17.866 1.00 40.09 ? 369 GLU A OE1 1 ATOM 2242 O OE2 . GLU A 1 288 ? -2.480 39.113 -16.546 1.00 38.84 ? 369 GLU A OE2 1 ATOM 2243 N N . SER A 1 289 ? -5.130 33.456 -15.669 1.00 22.93 ? 370 SER A N 1 ATOM 2244 C CA . SER A 1 289 ? -4.920 32.052 -15.324 1.00 22.06 ? 370 SER A CA 1 ATOM 2245 C C . SER A 1 289 ? -6.050 31.494 -14.468 1.00 20.39 ? 370 SER A C 1 ATOM 2246 O O . SER A 1 289 ? -6.839 32.238 -13.885 1.00 19.66 ? 370 SER A O 1 ATOM 2247 C CB . SER A 1 289 ? -3.584 31.884 -14.600 1.00 23.06 ? 370 SER A CB 1 ATOM 2248 O OG . SER A 1 289 ? -3.644 32.427 -13.298 1.00 24.59 ? 370 SER A OG 1 ATOM 2249 N N . ARG A 1 290 ? -6.114 30.170 -14.405 1.00 19.11 ? 371 ARG A N 1 ATOM 2250 C CA . ARG A 1 290 ? -7.138 29.472 -13.638 1.00 18.52 ? 371 ARG A CA 1 ATOM 2251 C C . ARG A 1 290 ? -6.742 29.402 -12.167 1.00 18.02 ? 371 ARG A C 1 ATOM 2252 O O . ARG A 1 290 ? -6.489 28.331 -11.616 1.00 18.07 ? 371 ARG A O 1 ATOM 2253 C CB . ARG A 1 290 ? -7.376 28.093 -14.231 1.00 18.66 ? 371 ARG A CB 1 ATOM 2254 C CG . ARG A 1 290 ? -7.906 28.179 -15.655 1.00 19.27 ? 371 ARG A CG 1 ATOM 2255 C CD . ARG A 1 290 ? -7.930 26.837 -16.354 1.00 19.54 ? 371 ARG A CD 1 ATOM 2256 N NE . ARG A 1 290 ? -8.603 26.935 -17.649 1.00 20.12 ? 371 ARG A NE 1 ATOM 2257 C CZ . ARG A 1 290 ? -8.862 25.904 -18.453 1.00 20.32 ? 371 ARG A CZ 1 ATOM 2258 N NH1 . ARG A 1 290 ? -8.490 24.668 -18.116 1.00 20.45 ? 371 ARG A NH1 1 ATOM 2259 N NH2 . ARG A 1 290 ? -9.498 26.111 -19.602 1.00 20.23 ? 371 ARG A NH2 1 ATOM 2260 N N . SER A 1 291 ? -6.709 30.577 -11.550 1.00 17.61 ? 372 SER A N 1 ATOM 2261 C CA . SER A 1 291 ? -6.237 30.759 -10.193 1.00 17.70 ? 372 SER A CA 1 ATOM 2262 C C . SER A 1 291 ? -7.283 31.546 -9.421 1.00 16.86 ? 372 SER A C 1 ATOM 2263 O O . SER A 1 291 ? -7.824 32.537 -9.927 1.00 16.53 ? 372 SER A O 1 ATOM 2264 C CB . SER A 1 291 ? -4.914 31.534 -10.208 1.00 18.52 ? 372 SER A CB 1 ATOM 2265 O OG . SER A 1 291 ? -4.477 31.792 -8.893 1.00 20.23 ? 372 SER A OG 1 ATOM 2266 N N . GLY A 1 292 ? -7.563 31.102 -8.201 1.00 16.27 ? 373 GLY A N 1 ATOM 2267 C CA . GLY A 1 292 ? -8.568 31.730 -7.363 1.00 15.85 ? 373 GLY A CA 1 ATOM 2268 C C . GLY A 1 292 ? -9.980 31.514 -7.872 1.00 15.60 ? 373 GLY A C 1 ATOM 2269 O O . GLY A 1 292 ? -10.194 31.041 -8.991 1.00 15.39 ? 373 GLY A O 1 ATOM 2270 N N . TYR A 1 293 ? -10.949 31.844 -7.029 1.00 15.37 ? 374 TYR A N 1 ATOM 2271 C CA . TYR A 1 293 ? -12.349 31.815 -7.430 1.00 15.23 ? 374 TYR A CA 1 ATOM 2272 C C . TYR A 1 293 ? -13.163 32.752 -6.548 1.00 15.42 ? 374 TYR A C 1 ATOM 2273 O O . TYR A 1 293 ? -13.016 32.746 -5.321 1.00 15.72 ? 374 TYR A O 1 ATOM 2274 C CB . TYR A 1 293 ? -12.924 30.390 -7.387 1.00 14.96 ? 374 TYR A CB 1 ATOM 2275 C CG . TYR A 1 293 ? -14.109 30.266 -8.291 1.00 14.82 ? 374 TYR A CG 1 ATOM 2276 C CD1 . TYR A 1 293 ? -13.949 29.981 -9.642 1.00 14.87 ? 374 TYR A CD1 1 ATOM 2277 C CD2 . TYR A 1 293 ? -15.395 30.519 -7.818 1.00 14.89 ? 374 TYR A CD2 1 ATOM 2278 C CE1 . TYR A 1 293 ? -15.046 29.911 -10.491 1.00 14.87 ? 374 TYR A CE1 1 ATOM 2279 C CE2 . TYR A 1 293 ? -16.489 30.454 -8.655 1.00 14.75 ? 374 TYR A CE2 1 ATOM 2280 C CZ . TYR A 1 293 ? -16.312 30.149 -9.989 1.00 14.79 ? 374 TYR A CZ 1 ATOM 2281 O OH . TYR A 1 293 ? -17.404 30.092 -10.815 1.00 14.67 ? 374 TYR A OH 1 ATOM 2282 N N . GLU A 1 294 ? -14.015 33.552 -7.185 1.00 15.27 ? 375 GLU A N 1 ATOM 2283 C CA . GLU A 1 294 ? -14.832 34.540 -6.493 1.00 15.52 ? 375 GLU A CA 1 ATOM 2284 C C . GLU A 1 294 ? -16.247 34.515 -7.046 1.00 15.36 ? 375 GLU A C 1 ATOM 2285 O O . GLU A 1 294 ? -16.449 34.203 -8.225 1.00 15.17 ? 375 GLU A O 1 ATOM 2286 C CB . GLU A 1 294 ? -14.232 35.947 -6.660 1.00 15.95 ? 375 GLU A CB 1 ATOM 2287 C CG . GLU A 1 294 ? -14.169 36.454 -8.099 1.00 16.32 ? 375 GLU A CG 1 ATOM 2288 C CD . GLU A 1 294 ? -13.442 37.790 -8.273 1.00 16.93 ? 375 GLU A CD 1 ATOM 2289 O OE1 . GLU A 1 294 ? -13.115 38.458 -7.270 1.00 17.26 ? 375 GLU A OE1 1 ATOM 2290 O OE2 . GLU A 1 294 ? -13.214 38.193 -9.438 1.00 17.47 ? 375 GLU A OE2 1 ATOM 2291 N N . THR A 1 295 ? -17.211 34.851 -6.196 1.00 15.24 ? 376 THR A N 1 ATOM 2292 C CA . THR A 1 295 ? -18.584 35.078 -6.622 1.00 15.34 ? 376 THR A CA 1 ATOM 2293 C C . THR A 1 295 ? -19.024 36.471 -6.199 1.00 15.74 ? 376 THR A C 1 ATOM 2294 O O . THR A 1 295 ? -18.500 37.029 -5.235 1.00 15.93 ? 376 THR A O 1 ATOM 2295 C CB . THR A 1 295 ? -19.558 34.057 -6.003 1.00 15.26 ? 376 THR A CB 1 ATOM 2296 O OG1 . THR A 1 295 ? -19.450 34.088 -4.573 1.00 15.32 ? 376 THR A OG1 1 ATOM 2297 C CG2 . THR A 1 295 ? -19.256 32.668 -6.501 1.00 15.29 ? 376 THR A CG2 1 ATOM 2298 N N . PHE A 1 296 ? -19.989 37.019 -6.927 1.00 16.14 ? 377 PHE A N 1 ATOM 2299 C CA . PHE A 1 296 ? -20.600 38.296 -6.576 1.00 16.51 ? 377 PHE A CA 1 ATOM 2300 C C . PHE A 1 296 ? -21.893 38.501 -7.357 1.00 16.95 ? 377 PHE A C 1 ATOM 2301 O O . PHE A 1 296 ? -22.180 37.764 -8.316 1.00 16.23 ? 377 PHE A O 1 ATOM 2302 C CB . PHE A 1 296 ? -19.625 39.473 -6.796 1.00 16.63 ? 377 PHE A CB 1 ATOM 2303 C CG . PHE A 1 296 ? -18.916 39.458 -8.125 1.00 16.62 ? 377 PHE A CG 1 ATOM 2304 C CD1 . PHE A 1 296 ? -19.555 39.891 -9.275 1.00 16.75 ? 377 PHE A CD1 1 ATOM 2305 C CD2 . PHE A 1 296 ? -17.591 39.051 -8.217 1.00 16.67 ? 377 PHE A CD2 1 ATOM 2306 C CE1 . PHE A 1 296 ? -18.901 39.884 -10.497 1.00 16.74 ? 377 PHE A CE1 1 ATOM 2307 C CE2 . PHE A 1 296 ? -16.932 39.045 -9.434 1.00 16.79 ? 377 PHE A CE2 1 ATOM 2308 C CZ . PHE A 1 296 ? -17.585 39.474 -10.575 1.00 16.81 ? 377 PHE A CZ 1 ATOM 2309 N N . LYS A 1 297 ? -22.686 39.472 -6.908 1.00 17.49 ? 378 LYS A N 1 ATOM 2310 C CA . LYS A 1 297 ? -23.865 39.908 -7.635 1.00 18.30 ? 378 LYS A CA 1 ATOM 2311 C C . LYS A 1 297 ? -23.501 41.178 -8.393 1.00 18.21 ? 378 LYS A C 1 ATOM 2312 O O . LYS A 1 297 ? -22.907 42.097 -7.821 1.00 18.11 ? 378 LYS A O 1 ATOM 2313 C CB . LYS A 1 297 ? -25.033 40.190 -6.680 1.00 19.74 ? 378 LYS A CB 1 ATOM 2314 C CG . LYS A 1 297 ? -26.329 40.552 -7.397 1.00 21.22 ? 378 LYS A CG 1 ATOM 2315 C CD . LYS A 1 297 ? -27.327 41.276 -6.504 1.00 22.90 ? 378 LYS A CD 1 ATOM 2316 C CE . LYS A 1 297 ? -28.116 40.321 -5.639 1.00 24.15 ? 378 LYS A CE 1 ATOM 2317 N NZ . LYS A 1 297 ? -29.222 41.025 -4.921 1.00 25.70 ? 378 LYS A NZ 1 ATOM 2318 N N . VAL A 1 298 ? -23.850 41.221 -9.677 1.00 17.91 ? 379 VAL A N 1 ATOM 2319 C CA . VAL A 1 298 ? -23.708 42.434 -10.472 1.00 18.06 ? 379 VAL A CA 1 ATOM 2320 C C . VAL A 1 298 ? -25.077 43.096 -10.575 1.00 18.18 ? 379 VAL A C 1 ATOM 2321 O O . VAL A 1 298 ? -26.031 42.495 -11.076 1.00 17.87 ? 379 VAL A O 1 ATOM 2322 C CB . VAL A 1 298 ? -23.150 42.149 -11.876 1.00 18.06 ? 379 VAL A CB 1 ATOM 2323 C CG1 . VAL A 1 298 ? -22.977 43.448 -12.651 1.00 18.42 ? 379 VAL A CG1 1 ATOM 2324 C CG2 . VAL A 1 298 ? -21.823 41.404 -11.781 1.00 17.91 ? 379 VAL A CG2 1 ATOM 2325 N N . ILE A 1 299 ? -25.160 44.329 -10.080 1.00 18.81 ? 380 ILE A N 1 ATOM 2326 C CA . ILE A 1 299 ? -26.393 45.118 -10.120 1.00 19.41 ? 380 ILE A CA 1 ATOM 2327 C C . ILE A 1 299 ? -26.647 45.484 -11.575 1.00 19.65 ? 380 ILE A C 1 ATOM 2328 O O . ILE A 1 299 ? -25.792 46.092 -12.220 1.00 19.64 ? 380 ILE A O 1 ATOM 2329 C CB . ILE A 1 299 ? -26.275 46.417 -9.288 1.00 20.05 ? 380 ILE A CB 1 ATOM 2330 C CG1 . ILE A 1 299 ? -25.854 46.124 -7.840 1.00 20.36 ? 380 ILE A CG1 1 ATOM 2331 C CG2 . ILE A 1 299 ? -27.586 47.207 -9.323 1.00 20.35 ? 380 ILE A CG2 1 ATOM 2332 C CD1 . ILE A 1 299 ? -26.747 45.147 -7.113 1.00 20.65 ? 380 ILE A CD1 1 ATOM 2333 N N . GLY A 1 300 ? -27.806 45.088 -12.100 1.00 19.71 ? 381 GLY A N 1 ATOM 2334 C CA . GLY A 1 300 ? -28.110 45.259 -13.521 1.00 19.78 ? 381 GLY A CA 1 ATOM 2335 C C . GLY A 1 300 ? -27.331 44.329 -14.444 1.00 19.59 ? 381 GLY A C 1 ATOM 2336 O O . GLY A 1 300 ? -27.338 44.507 -15.669 1.00 19.41 ? 381 GLY A O 1 ATOM 2337 N N . GLY A 1 301 ? -26.672 43.327 -13.864 1.00 19.04 ? 382 GLY A N 1 ATOM 2338 C CA . GLY A 1 301 ? -25.812 42.421 -14.614 1.00 19.03 ? 382 GLY A CA 1 ATOM 2339 C C . GLY A 1 301 ? -26.503 41.592 -15.675 1.00 19.19 ? 382 GLY A C 1 ATOM 2340 O O . GLY A 1 301 ? -25.859 41.138 -16.620 1.00 18.97 ? 382 GLY A O 1 ATOM 2341 N N . TRP A 1 302 ? -27.809 41.379 -15.524 1.00 19.92 ? 383 TRP A N 1 ATOM 2342 C CA . TRP A 1 302 ? -28.562 40.646 -16.525 1.00 20.66 ? 383 TRP A CA 1 ATOM 2343 C C . TRP A 1 302 ? -29.151 41.552 -17.613 1.00 20.94 ? 383 TRP A C 1 ATOM 2344 O O . TRP A 1 302 ? -29.156 41.177 -18.780 1.00 20.39 ? 383 TRP A O 1 ATOM 2345 C CB . TRP A 1 302 ? -29.691 39.829 -15.896 1.00 21.59 ? 383 TRP A CB 1 ATOM 2346 C CG . TRP A 1 302 ? -30.369 39.023 -16.937 1.00 22.86 ? 383 TRP A CG 1 ATOM 2347 C CD1 . TRP A 1 302 ? -31.602 39.240 -17.485 1.00 23.85 ? 383 TRP A CD1 1 ATOM 2348 C CD2 . TRP A 1 302 ? -29.811 37.909 -17.628 1.00 23.97 ? 383 TRP A CD2 1 ATOM 2349 N NE1 . TRP A 1 302 ? -31.856 38.299 -18.460 1.00 24.51 ? 383 TRP A NE1 1 ATOM 2350 C CE2 . TRP A 1 302 ? -30.769 37.470 -18.563 1.00 24.65 ? 383 TRP A CE2 1 ATOM 2351 C CE3 . TRP A 1 302 ? -28.597 37.222 -17.531 1.00 24.70 ? 383 TRP A CE3 1 ATOM 2352 C CZ2 . TRP A 1 302 ? -30.549 36.373 -19.400 1.00 25.24 ? 383 TRP A CZ2 1 ATOM 2353 C CZ3 . TRP A 1 302 ? -28.381 36.131 -18.363 1.00 25.31 ? 383 TRP A CZ3 1 ATOM 2354 C CH2 . TRP A 1 302 ? -29.353 35.721 -19.282 1.00 24.86 ? 383 TRP A CH2 1 ATOM 2355 N N . SER A 1 303 ? -29.641 42.729 -17.220 1.00 21.41 ? 384 SER A N 1 ATOM 2356 C CA . SER A 1 303 ? -30.439 43.596 -18.103 1.00 22.17 ? 384 SER A CA 1 ATOM 2357 C C . SER A 1 303 ? -29.699 44.793 -18.694 1.00 22.09 ? 384 SER A C 1 ATOM 2358 O O . SER A 1 303 ? -30.075 45.285 -19.762 1.00 22.18 ? 384 SER A O 1 ATOM 2359 C CB . SER A 1 303 ? -31.653 44.126 -17.338 1.00 22.95 ? 384 SER A CB 1 ATOM 2360 O OG . SER A 1 303 ? -32.543 43.076 -17.014 1.00 23.90 ? 384 SER A OG 1 ATOM 2361 N N . THR A 1 304 ? -28.675 45.278 -17.998 1.00 21.62 ? 385 THR A N 1 ATOM 2362 C CA . THR A 1 304 ? -28.007 46.517 -18.379 1.00 21.72 ? 385 THR A CA 1 ATOM 2363 C C . THR A 1 304 ? -26.650 46.235 -19.015 1.00 21.40 ? 385 THR A C 1 ATOM 2364 O O . THR A 1 304 ? -25.750 45.715 -18.352 1.00 20.57 ? 385 THR A O 1 ATOM 2365 C CB . THR A 1 304 ? -27.823 47.437 -17.163 1.00 22.12 ? 385 THR A CB 1 ATOM 2366 O OG1 . THR A 1 304 ? -29.109 47.780 -16.644 1.00 22.51 ? 385 THR A OG1 1 ATOM 2367 C CG2 . THR A 1 304 ? -27.074 48.717 -17.539 1.00 22.53 ? 385 THR A CG2 1 ATOM 2368 N N . PRO A 1 305 ? -26.493 46.590 -20.303 1.00 21.31 ? 386 PRO A N 1 ATOM 2369 C CA . PRO A 1 305 ? -25.209 46.397 -20.961 1.00 21.19 ? 386 PRO A CA 1 ATOM 2370 C C . PRO A 1 305 ? -24.066 47.053 -20.203 1.00 21.10 ? 386 PRO A C 1 ATOM 2371 O O . PRO A 1 305 ? -24.185 48.192 -19.773 1.00 21.00 ? 386 PRO A O 1 ATOM 2372 C CB . PRO A 1 305 ? -25.391 47.084 -22.320 1.00 21.62 ? 386 PRO A CB 1 ATOM 2373 C CG . PRO A 1 305 ? -26.861 47.112 -22.553 1.00 21.98 ? 386 PRO A CG 1 ATOM 2374 C CD . PRO A 1 305 ? -27.498 47.191 -21.202 1.00 21.84 ? 386 PRO A CD 1 ATOM 2375 N N . ASN A 1 306 ? -22.978 46.313 -20.034 1.00 21.01 ? 387 ASN A N 1 ATOM 2376 C CA . ASN A 1 306 ? -21.743 46.839 -19.466 1.00 21.60 ? 387 ASN A CA 1 ATOM 2377 C C . ASN A 1 306 ? -21.832 47.286 -17.998 1.00 21.61 ? 387 ASN A C 1 ATOM 2378 O O . ASN A 1 306 ? -21.025 48.087 -17.539 1.00 22.13 ? 387 ASN A O 1 ATOM 2379 C CB . ASN A 1 306 ? -21.217 47.981 -20.345 1.00 22.10 ? 387 ASN A CB 1 ATOM 2380 C CG . ASN A 1 306 ? -19.769 47.797 -20.720 1.00 22.51 ? 387 ASN A CG 1 ATOM 2381 O OD1 . ASN A 1 306 ? -19.220 46.707 -20.587 1.00 21.98 ? 387 ASN A OD1 1 ATOM 2382 N ND2 . ASN A 1 306 ? -19.142 48.860 -21.202 1.00 23.51 ? 387 ASN A ND2 1 ATOM 2383 N N . SER A 1 307 ? -22.798 46.748 -17.263 1.00 21.68 ? 388 SER A N 1 ATOM 2384 C CA . SER A 1 307 ? -22.951 47.055 -15.847 1.00 21.87 ? 388 SER A CA 1 ATOM 2385 C C . SER A 1 307 ? -21.750 46.525 -15.065 1.00 21.61 ? 388 SER A C 1 ATOM 2386 O O . SER A 1 307 ? -21.304 45.394 -15.296 1.00 21.01 ? 388 SER A O 1 ATOM 2387 C CB . SER A 1 307 ? -24.243 46.430 -15.323 1.00 22.08 ? 388 SER A CB 1 ATOM 2388 O OG . SER A 1 307 ? -24.409 45.136 -15.881 1.00 22.47 ? 388 SER A OG 1 ATOM 2389 N N . LYS A 1 308 ? -21.216 47.347 -14.160 1.00 21.83 ? 389 LYS A N 1 ATOM 2390 C CA . LYS A 1 308 ? -20.013 46.973 -13.398 1.00 22.11 ? 389 LYS A CA 1 ATOM 2391 C C . LYS A 1 308 ? -20.092 47.207 -11.892 1.00 22.30 ? 389 LYS A C 1 ATOM 2392 O O . LYS A 1 308 ? -19.083 47.089 -11.195 1.00 22.22 ? 389 LYS A O 1 ATOM 2393 C CB . LYS A 1 308 ? -18.791 47.701 -13.958 1.00 22.51 ? 389 LYS A CB 1 ATOM 2394 C CG . LYS A 1 308 ? -18.367 47.214 -15.326 1.00 22.68 ? 389 LYS A CG 1 ATOM 2395 C CD . LYS A 1 308 ? -17.063 47.860 -15.755 1.00 23.08 ? 389 LYS A CD 1 ATOM 2396 C CE . LYS A 1 308 ? -16.715 47.480 -17.182 1.00 23.32 ? 389 LYS A CE 1 ATOM 2397 N NZ . LYS A 1 308 ? -15.375 47.999 -17.574 1.00 23.64 ? 389 LYS A NZ 1 ATOM 2398 N N . SER A 1 309 ? -21.276 47.523 -11.379 1.00 22.62 ? 390 SER A N 1 ATOM 2399 C CA . SER A 1 309 ? -21.442 47.676 -9.945 1.00 23.48 ? 390 SER A CA 1 ATOM 2400 C C . SER A 1 309 ? -21.708 46.306 -9.333 1.00 22.54 ? 390 SER A C 1 ATOM 2401 O O . SER A 1 309 ? -22.729 45.681 -9.620 1.00 22.67 ? 390 SER A O 1 ATOM 2402 C CB . SER A 1 309 ? -22.590 48.631 -9.626 1.00 24.89 ? 390 SER A CB 1 ATOM 2403 O OG . SER A 1 309 ? -22.632 48.891 -8.238 1.00 27.31 ? 390 SER A OG 1 ATOM 2404 N N . GLN A 1 310 ? -20.781 45.827 -8.509 1.00 21.88 ? 391 GLN A N 1 ATOM 2405 C CA . GLN A 1 310 ? -20.986 44.557 -7.825 1.00 21.07 ? 391 GLN A CA 1 ATOM 2406 C C . GLN A 1 310 ? -21.229 44.744 -6.337 1.00 21.05 ? 391 GLN A C 1 ATOM 2407 O O . GLN A 1 310 ? -20.946 45.804 -5.772 1.00 20.78 ? 391 GLN A O 1 ATOM 2408 C CB . GLN A 1 310 ? -19.829 43.588 -8.062 1.00 21.10 ? 391 GLN A CB 1 ATOM 2409 C CG . GLN A 1 310 ? -18.465 44.054 -7.585 1.00 21.12 ? 391 GLN A CG 1 ATOM 2410 C CD . GLN A 1 310 ? -17.546 42.892 -7.274 1.00 21.01 ? 391 GLN A CD 1 ATOM 2411 O OE1 . GLN A 1 310 ? -17.597 42.324 -6.181 1.00 20.81 ? 391 GLN A OE1 1 ATOM 2412 N NE2 . GLN A 1 310 ? -16.686 42.538 -8.228 1.00 20.96 ? 391 GLN A NE2 1 ATOM 2413 N N . VAL A 1 311 ? -21.785 43.704 -5.727 1.00 20.55 ? 392 VAL A N 1 ATOM 2414 C CA . VAL A 1 311 ? -22.028 43.658 -4.297 1.00 20.64 ? 392 VAL A CA 1 ATOM 2415 C C . VAL A 1 311 ? -22.033 42.189 -3.865 1.00 20.01 ? 392 VAL A C 1 ATOM 2416 O O . VAL A 1 311 ? -22.168 41.300 -4.706 1.00 19.24 ? 392 VAL A O 1 ATOM 2417 C CB . VAL A 1 311 ? -23.371 44.337 -3.943 1.00 21.26 ? 392 VAL A CB 1 ATOM 2418 C CG1 . VAL A 1 311 ? -24.554 43.527 -4.458 1.00 21.39 ? 392 VAL A CG1 1 ATOM 2419 C CG2 . VAL A 1 311 ? -23.490 44.561 -2.441 1.00 21.90 ? 392 VAL A CG2 1 ATOM 2420 N N . ASN A 1 312 ? -21.875 41.949 -2.563 1.00 19.58 ? 393 ASN A N 1 ATOM 2421 C CA . ASN A 1 312 ? -21.935 40.599 -1.995 1.00 19.35 ? 393 ASN A CA 1 ATOM 2422 C C . ASN A 1 312 ? -20.871 39.653 -2.550 1.00 18.34 ? 393 ASN A C 1 ATOM 2423 O O . ASN A 1 312 ? -21.138 38.480 -2.795 1.00 17.91 ? 393 ASN A O 1 ATOM 2424 C CB . ASN A 1 312 ? -23.326 39.991 -2.173 1.00 20.04 ? 393 ASN A CB 1 ATOM 2425 C CG . ASN A 1 312 ? -24.407 40.807 -1.499 1.00 21.20 ? 393 ASN A CG 1 ATOM 2426 O OD1 . ASN A 1 312 ? -24.184 41.429 -0.454 1.00 22.36 ? 393 ASN A OD1 1 ATOM 2427 N ND2 . ASN A 1 312 ? -25.588 40.806 -2.090 1.00 22.22 ? 393 ASN A ND2 1 ATOM 2428 N N . ARG A 1 313 ? -19.661 40.169 -2.726 1.00 17.54 ? 394 ARG A N 1 ATOM 2429 C CA . ARG A 1 313 ? -18.551 39.338 -3.145 1.00 16.93 ? 394 ARG A CA 1 ATOM 2430 C C . ARG A 1 313 ? -18.217 38.334 -2.060 1.00 16.36 ? 394 ARG A C 1 ATOM 2431 O O . ARG A 1 313 ? -18.298 38.637 -0.866 1.00 16.28 ? 394 ARG A O 1 ATOM 2432 C CB . ARG A 1 313 ? -17.312 40.181 -3.452 1.00 17.19 ? 394 ARG A CB 1 ATOM 2433 C CG . ARG A 1 313 ? -16.092 39.375 -3.878 1.00 17.43 ? 394 ARG A CG 1 ATOM 2434 C CD . ARG A 1 313 ? -15.010 40.286 -4.431 1.00 17.86 ? 394 ARG A CD 1 ATOM 2435 N NE . ARG A 1 313 ? -13.801 39.569 -4.845 1.00 17.94 ? 394 ARG A NE 1 ATOM 2436 C CZ . ARG A 1 313 ? -12.734 39.336 -4.081 1.00 18.37 ? 394 ARG A CZ 1 ATOM 2437 N NH1 . ARG A 1 313 ? -12.683 39.745 -2.815 1.00 18.80 ? 394 ARG A NH1 1 ATOM 2438 N NH2 . ARG A 1 313 ? -11.690 38.688 -4.594 1.00 18.25 ? 394 ARG A NH2 1 ATOM 2439 N N . GLN A 1 314 ? -17.855 37.132 -2.490 1.00 15.77 ? 395 GLN A N 1 ATOM 2440 C CA . GLN A 1 314 ? -17.248 36.143 -1.611 1.00 15.59 ? 395 GLN A CA 1 ATOM 2441 C C . GLN A 1 314 ? -16.043 35.529 -2.303 1.00 15.42 ? 395 GLN A C 1 ATOM 2442 O O . GLN A 1 314 ? -16.111 35.172 -3.485 1.00 15.04 ? 395 GLN A O 1 ATOM 2443 C CB . GLN A 1 314 ? -18.250 35.040 -1.275 1.00 15.53 ? 395 GLN A CB 1 ATOM 2444 C CG . GLN A 1 314 ? -19.492 35.523 -0.546 1.00 15.69 ? 395 GLN A CG 1 ATOM 2445 C CD . GLN A 1 314 ? -20.523 34.421 -0.377 1.00 15.57 ? 395 GLN A CD 1 ATOM 2446 O OE1 . GLN A 1 314 ? -21.575 34.437 -1.026 1.00 15.93 ? 395 GLN A OE1 1 ATOM 2447 N NE2 . GLN A 1 314 ? -20.236 33.465 0.501 1.00 15.43 ? 395 GLN A NE2 1 ATOM 2448 N N . VAL A 1 315 ? -14.941 35.402 -1.568 1.00 15.52 ? 396 VAL A N 1 ATOM 2449 C CA . VAL A 1 315 ? -13.837 34.569 -2.011 1.00 15.43 ? 396 VAL A CA 1 ATOM 2450 C C . VAL A 1 315 ? -14.189 33.107 -1.712 1.00 15.48 ? 396 VAL A C 1 ATOM 2451 O O . VAL A 1 315 ? -14.549 32.769 -0.584 1.00 15.55 ? 396 VAL A O 1 ATOM 2452 C CB . VAL A 1 315 ? -12.521 34.958 -1.303 1.00 15.64 ? 396 VAL A CB 1 ATOM 2453 C CG1 . VAL A 1 315 ? -11.407 33.980 -1.662 1.00 15.75 ? 396 VAL A CG1 1 ATOM 2454 C CG2 . VAL A 1 315 ? -12.138 36.388 -1.670 1.00 15.74 ? 396 VAL A CG2 1 ATOM 2455 N N . ILE A 1 316 ? -14.096 32.251 -2.726 1.00 15.31 ? 397 ILE A N 1 ATOM 2456 C CA . ILE A 1 316 ? -14.279 30.804 -2.548 1.00 15.27 ? 397 ILE A CA 1 ATOM 2457 C C . ILE A 1 316 ? -12.897 30.135 -2.453 1.00 15.22 ? 397 ILE A C 1 ATOM 2458 O O . ILE A 1 316 ? -12.666 29.285 -1.599 1.00 15.26 ? 397 ILE A O 1 ATOM 2459 C CB . ILE A 1 316 ? -15.086 30.184 -3.708 1.00 15.07 ? 397 ILE A CB 1 ATOM 2460 C CG1 . ILE A 1 316 ? -16.394 30.968 -3.963 1.00 15.32 ? 397 ILE A CG1 1 ATOM 2461 C CG2 . ILE A 1 316 ? -15.370 28.708 -3.440 1.00 14.89 ? 397 ILE A CG2 1 ATOM 2462 C CD1 . ILE A 1 316 ? -17.295 31.106 -2.753 1.00 15.37 ? 397 ILE A CD1 1 ATOM 2463 N N . VAL A 1 317 ? -11.994 30.525 -3.345 1.00 15.52 ? 398 VAL A N 1 ATOM 2464 C CA . VAL A 1 317 ? -10.601 30.057 -3.343 1.00 15.99 ? 398 VAL A CA 1 ATOM 2465 C C . VAL A 1 317 ? -9.717 31.284 -3.517 1.00 16.69 ? 398 VAL A C 1 ATOM 2466 O O . VAL A 1 317 ? -9.897 32.030 -4.477 1.00 16.18 ? 398 VAL A O 1 ATOM 2467 C CB . VAL A 1 317 ? -10.336 29.065 -4.504 1.00 15.94 ? 398 VAL A CB 1 ATOM 2468 C CG1 . VAL A 1 317 ? -8.876 28.609 -4.523 1.00 16.06 ? 398 VAL A CG1 1 ATOM 2469 C CG2 . VAL A 1 317 ? -11.283 27.875 -4.416 1.00 15.93 ? 398 VAL A CG2 1 ATOM 2470 N N . ASP A 1 318 ? -8.768 31.513 -2.609 1.00 17.80 ? 399 ASP A N 1 ATOM 2471 C CA . ASP A 1 318 ? -7.908 32.694 -2.750 1.00 19.00 ? 399 ASP A CA 1 ATOM 2472 C C . ASP A 1 318 ? -6.987 32.580 -3.968 1.00 18.95 ? 399 ASP A C 1 ATOM 2473 O O . ASP A 1 318 ? -6.785 31.490 -4.506 1.00 18.11 ? 399 ASP A O 1 ATOM 2474 C CB . ASP A 1 318 ? -7.133 33.022 -1.464 1.00 20.42 ? 399 ASP A CB 1 ATOM 2475 C CG . ASP A 1 318 ? -6.013 32.050 -1.156 1.00 21.94 ? 399 ASP A CG 1 ATOM 2476 O OD1 . ASP A 1 318 ? -5.300 31.566 -2.065 1.00 22.68 ? 399 ASP A OD1 1 ATOM 2477 O OD2 . ASP A 1 318 ? -5.809 31.809 0.051 1.00 24.90 ? 399 ASP A OD2 1 ATOM 2478 N N . ASN A 1 319 ? -6.440 33.715 -4.399 1.00 19.25 ? 400 ASN A N 1 ATOM 2479 C CA . ASN A 1 319 ? -5.688 33.766 -5.648 1.00 19.87 ? 400 ASN A CA 1 ATOM 2480 C C . ASN A 1 319 ? -4.261 33.202 -5.556 1.00 20.19 ? 400 ASN A C 1 ATOM 2481 O O . ASN A 1 319 ? -3.513 33.265 -6.531 1.00 20.52 ? 400 ASN A O 1 ATOM 2482 C CB . ASN A 1 319 ? -5.670 35.191 -6.217 1.00 20.63 ? 400 ASN A CB 1 ATOM 2483 C CG . ASN A 1 319 ? -5.389 35.220 -7.712 1.00 21.12 ? 400 ASN A CG 1 ATOM 2484 O OD1 . ASN A 1 319 ? -5.809 34.334 -8.456 1.00 21.02 ? 400 ASN A OD1 1 ATOM 2485 N ND2 . ASN A 1 319 ? -4.664 36.242 -8.158 1.00 22.12 ? 400 ASN A ND2 1 ATOM 2486 N N . ASN A 1 320 ? -3.885 32.648 -4.402 1.00 20.06 ? 401 ASN A N 1 ATOM 2487 C CA . ASN A 1 320 ? -2.626 31.895 -4.292 1.00 20.43 ? 401 ASN A CA 1 ATOM 2488 C C . ASN A 1 320 ? -2.819 30.404 -4.564 1.00 19.42 ? 401 ASN A C 1 ATOM 2489 O O . ASN A 1 320 ? -1.878 29.619 -4.426 1.00 18.72 ? 401 ASN A O 1 ATOM 2490 C CB . ASN A 1 320 ? -2.014 32.078 -2.902 1.00 21.96 ? 401 ASN A CB 1 ATOM 2491 C CG . ASN A 1 320 ? -1.617 33.511 -2.627 1.00 23.52 ? 401 ASN A CG 1 ATOM 2492 O OD1 . ASN A 1 320 ? -1.082 34.196 -3.498 1.00 24.72 ? 401 ASN A OD1 1 ATOM 2493 N ND2 . ASN A 1 320 ? -1.878 33.972 -1.413 1.00 25.08 ? 401 ASN A ND2 1 ATOM 2494 N N . ASN A 1 321 ? -4.039 30.020 -4.940 1.00 18.28 ? 402 ASN A N 1 ATOM 2495 C CA . ASN A 1 321 ? -4.391 28.624 -5.149 1.00 17.88 ? 402 ASN A CA 1 ATOM 2496 C C . ASN A 1 321 ? -5.088 28.382 -6.484 1.00 17.29 ? 402 ASN A C 1 ATOM 2497 O O . ASN A 1 321 ? -5.793 29.252 -6.999 1.00 16.67 ? 402 ASN A O 1 ATOM 2498 C CB . ASN A 1 321 ? -5.267 28.139 -3.999 1.00 17.82 ? 402 ASN A CB 1 ATOM 2499 C CG . ASN A 1 321 ? -4.477 27.935 -2.722 1.00 18.35 ? 402 ASN A CG 1 ATOM 2500 O OD1 . ASN A 1 321 ? -3.825 26.914 -2.545 1.00 18.68 ? 402 ASN A OD1 1 ATOM 2501 N ND2 . ASN A 1 321 ? -4.530 28.907 -1.828 1.00 18.64 ? 402 ASN A ND2 1 ATOM 2502 N N . TRP A 1 322 ? -4.886 27.182 -7.023 1.00 16.89 ? 403 TRP A N 1 ATOM 2503 C CA . TRP A 1 322 ? -5.382 26.831 -8.344 1.00 16.71 ? 403 TRP A CA 1 ATOM 2504 C C . TRP A 1 322 ? -6.870 26.527 -8.295 1.00 15.90 ? 403 TRP A C 1 ATOM 2505 O O . TRP A 1 322 ? -7.359 25.904 -7.350 1.00 15.84 ? 403 TRP A O 1 ATOM 2506 C CB . TRP A 1 322 ? -4.614 25.635 -8.920 1.00 17.15 ? 403 TRP A CB 1 ATOM 2507 C CG . TRP A 1 322 ? -3.168 25.929 -9.087 1.00 17.95 ? 403 TRP A CG 1 ATOM 2508 C CD1 . TRP A 1 322 ? -2.128 25.335 -8.439 1.00 18.36 ? 403 TRP A CD1 1 ATOM 2509 C CD2 . TRP A 1 322 ? -2.598 26.919 -9.948 1.00 18.58 ? 403 TRP A CD2 1 ATOM 2510 N NE1 . TRP A 1 322 ? -0.935 25.896 -8.846 1.00 18.87 ? 403 TRP A NE1 1 ATOM 2511 C CE2 . TRP A 1 322 ? -1.200 26.867 -9.778 1.00 19.08 ? 403 TRP A CE2 1 ATOM 2512 C CE3 . TRP A 1 322 ? -3.135 27.840 -10.855 1.00 18.75 ? 403 TRP A CE3 1 ATOM 2513 C CZ2 . TRP A 1 322 ? -0.328 27.713 -10.477 1.00 19.75 ? 403 TRP A CZ2 1 ATOM 2514 C CZ3 . TRP A 1 322 ? -2.273 28.676 -11.549 1.00 19.40 ? 403 TRP A CZ3 1 ATOM 2515 C CH2 . TRP A 1 322 ? -0.882 28.606 -11.356 1.00 19.69 ? 403 TRP A CH2 1 ATOM 2516 N N . SER A 1 323 ? -7.591 27.001 -9.303 1.00 15.32 ? 404 SER A N 1 ATOM 2517 C CA . SER A 1 323 ? -8.990 26.640 -9.476 1.00 14.95 ? 404 SER A CA 1 ATOM 2518 C C . SER A 1 323 ? -9.113 25.837 -10.770 1.00 14.82 ? 404 SER A C 1 ATOM 2519 O O . SER A 1 323 ? -8.351 24.889 -10.973 1.00 14.91 ? 404 SER A O 1 ATOM 2520 C CB . SER A 1 323 ? -9.893 27.882 -9.433 1.00 14.97 ? 404 SER A CB 1 ATOM 2521 O OG . SER A 1 323 ? -9.545 28.834 -10.427 1.00 14.84 ? 404 SER A OG 1 ATOM 2522 N N . GLY A 1 324 ? -10.061 26.185 -11.633 1.00 14.50 ? 405 GLY A N 1 ATOM 2523 C CA . GLY A 1 324 ? -10.360 25.374 -12.812 1.00 14.43 ? 405 GLY A CA 1 ATOM 2524 C C . GLY A 1 324 ? -11.794 25.573 -13.259 1.00 14.15 ? 405 GLY A C 1 ATOM 2525 O O . GLY A 1 324 ? -12.353 26.658 -13.103 1.00 14.55 ? 405 GLY A O 1 ATOM 2526 N N . TYR A 1 325 ? -12.394 24.525 -13.812 1.00 13.90 ? 406 TYR A N 1 ATOM 2527 C CA . TYR A 1 325 ? -13.787 24.583 -14.236 1.00 13.72 ? 406 TYR A CA 1 ATOM 2528 C C . TYR A 1 325 ? -14.728 24.866 -13.073 1.00 13.80 ? 406 TYR A C 1 ATOM 2529 O O . TYR A 1 325 ? -14.424 24.564 -11.916 1.00 13.63 ? 406 TYR A O 1 ATOM 2530 C CB . TYR A 1 325 ? -14.194 23.264 -14.915 1.00 13.51 ? 406 TYR A CB 1 ATOM 2531 C CG . TYR A 1 325 ? -13.750 23.127 -16.357 1.00 13.52 ? 406 TYR A CG 1 ATOM 2532 C CD1 . TYR A 1 325 ? -12.740 23.937 -16.892 1.00 13.80 ? 406 TYR A CD1 1 ATOM 2533 C CD2 . TYR A 1 325 ? -14.328 22.174 -17.188 1.00 13.58 ? 406 TYR A CD2 1 ATOM 2534 C CE1 . TYR A 1 325 ? -12.352 23.817 -18.213 1.00 13.96 ? 406 TYR A CE1 1 ATOM 2535 C CE2 . TYR A 1 325 ? -13.938 22.045 -18.513 1.00 13.82 ? 406 TYR A CE2 1 ATOM 2536 C CZ . TYR A 1 325 ? -12.951 22.871 -19.017 1.00 13.96 ? 406 TYR A CZ 1 ATOM 2537 O OH . TYR A 1 325 ? -12.560 22.754 -20.328 1.00 14.56 ? 406 TYR A OH 1 ATOM 2538 N N A SER A 1 326 ? -15.868 25.469 -13.388 0.80 13.85 ? 407 SER A N 1 ATOM 2539 N N B SER A 1 326 ? -15.881 25.441 -13.399 0.20 13.84 ? 407 SER A N 1 ATOM 2540 C CA A SER A 1 326 ? -16.951 25.629 -12.430 0.80 13.89 ? 407 SER A CA 1 ATOM 2541 C CA B SER A 1 326 ? -16.946 25.663 -12.433 0.20 13.88 ? 407 SER A CA 1 ATOM 2542 C C A SER A 1 326 ? -18.278 25.512 -13.158 0.80 14.02 ? 407 SER A C 1 ATOM 2543 C C B SER A 1 326 ? -18.278 25.536 -13.154 0.20 13.93 ? 407 SER A C 1 ATOM 2544 O O A SER A 1 326 ? -18.361 25.766 -14.364 0.80 14.22 ? 407 SER A O 1 ATOM 2545 O O B SER A 1 326 ? -18.368 25.819 -14.349 0.20 14.02 ? 407 SER A O 1 ATOM 2546 C CB A SER A 1 326 ? -16.853 26.973 -11.704 0.80 14.05 ? 407 SER A CB 1 ATOM 2547 C CB B SER A 1 326 ? -16.815 27.045 -11.793 0.20 14.01 ? 407 SER A CB 1 ATOM 2548 O OG A SER A 1 326 ? -16.839 28.057 -12.618 0.80 13.94 ? 407 SER A OG 1 ATOM 2549 O OG B SER A 1 326 ? -17.771 27.221 -10.763 0.20 13.98 ? 407 SER A OG 1 ATOM 2550 N N . GLY A 1 327 ? -19.307 25.103 -12.434 1.00 13.87 ? 408 GLY A N 1 ATOM 2551 C CA . GLY A 1 327 ? -20.622 24.915 -13.029 1.00 14.06 ? 408 GLY A CA 1 ATOM 2552 C C . GLY A 1 327 ? -21.733 25.000 -12.020 1.00 14.24 ? 408 GLY A C 1 ATOM 2553 O O . GLY A 1 327 ? -21.520 24.884 -10.824 1.00 14.23 ? 408 GLY A O 1 ATOM 2554 N N . ILE A 1 328 ? -22.936 25.197 -12.532 1.00 14.40 ? 409 ILE A N 1 ATOM 2555 C CA . ILE A 1 328 ? -24.105 25.357 -11.705 1.00 14.65 ? 409 ILE A CA 1 ATOM 2556 C C . ILE A 1 328 ? -24.836 24.015 -11.554 1.00 14.41 ? 409 ILE A C 1 ATOM 2557 O O . ILE A 1 328 ? -24.765 23.148 -12.430 1.00 14.26 ? 409 ILE A O 1 ATOM 2558 C CB . ILE A 1 328 ? -25.034 26.427 -12.332 1.00 15.09 ? 409 ILE A CB 1 ATOM 2559 C CG1 . ILE A 1 328 ? -26.023 26.968 -11.308 1.00 15.52 ? 409 ILE A CG1 1 ATOM 2560 C CG2 . ILE A 1 328 ? -25.757 25.886 -13.565 1.00 15.33 ? 409 ILE A CG2 1 ATOM 2561 C CD1 . ILE A 1 328 ? -26.842 28.139 -11.835 1.00 16.00 ? 409 ILE A CD1 1 ATOM 2562 N N . PHE A 1 329 ? -25.510 23.831 -10.428 1.00 14.36 ? 410 PHE A N 1 ATOM 2563 C CA . PHE A 1 329 ? -26.574 22.836 -10.341 1.00 14.61 ? 410 PHE A CA 1 ATOM 2564 C C . PHE A 1 329 ? -27.724 23.416 -9.544 1.00 14.99 ? 410 PHE A C 1 ATOM 2565 O O . PHE A 1 329 ? -27.533 24.362 -8.784 1.00 15.09 ? 410 PHE A O 1 ATOM 2566 C CB . PHE A 1 329 ? -26.100 21.482 -9.777 1.00 14.47 ? 410 PHE A CB 1 ATOM 2567 C CG . PHE A 1 329 ? -25.519 21.537 -8.381 1.00 14.63 ? 410 PHE A CG 1 ATOM 2568 C CD1 . PHE A 1 329 ? -24.230 22.011 -8.160 1.00 14.68 ? 410 PHE A CD1 1 ATOM 2569 C CD2 . PHE A 1 329 ? -26.233 21.047 -7.300 1.00 14.84 ? 410 PHE A CD2 1 ATOM 2570 C CE1 . PHE A 1 329 ? -23.682 22.020 -6.885 1.00 14.62 ? 410 PHE A CE1 1 ATOM 2571 C CE2 . PHE A 1 329 ? -25.696 21.061 -6.016 1.00 14.92 ? 410 PHE A CE2 1 ATOM 2572 C CZ . PHE A 1 329 ? -24.418 21.544 -5.811 1.00 14.87 ? 410 PHE A CZ 1 ATOM 2573 N N . SER A 1 330 ? -28.913 22.860 -9.741 1.00 15.25 ? 411 SER A N 1 ATOM 2574 C CA . SER A 1 330 ? -30.113 23.368 -9.094 1.00 15.79 ? 411 SER A CA 1 ATOM 2575 C C . SER A 1 330 ? -30.704 22.308 -8.165 1.00 16.37 ? 411 SER A C 1 ATOM 2576 O O . SER A 1 330 ? -30.689 21.115 -8.466 1.00 15.94 ? 411 SER A O 1 ATOM 2577 C CB . SER A 1 330 ? -31.138 23.844 -10.141 1.00 15.94 ? 411 SER A CB 1 ATOM 2578 O OG . SER A 1 330 ? -30.564 24.855 -10.970 1.00 15.99 ? 411 SER A OG 1 ATOM 2579 N N . VAL A 1 331 ? -31.219 22.766 -7.027 1.00 17.29 ? 412 VAL A N 1 ATOM 2580 C CA . VAL A 1 331 ? -31.725 21.885 -5.978 1.00 18.23 ? 412 VAL A CA 1 ATOM 2581 C C . VAL A 1 331 ? -33.102 22.378 -5.542 1.00 19.61 ? 412 VAL A C 1 ATOM 2582 O O . VAL A 1 331 ? -33.248 23.523 -5.110 1.00 20.01 ? 412 VAL A O 1 ATOM 2583 C CB . VAL A 1 331 ? -30.755 21.854 -4.777 1.00 18.13 ? 412 VAL A CB 1 ATOM 2584 C CG1 . VAL A 1 331 ? -31.305 20.994 -3.646 1.00 18.34 ? 412 VAL A CG1 1 ATOM 2585 C CG2 . VAL A 1 331 ? -29.393 21.328 -5.224 1.00 17.81 ? 412 VAL A CG2 1 ATOM 2586 N N . GLU A 1 332 ? -34.108 21.517 -5.671 1.00 20.65 ? 413 GLU A N 1 ATOM 2587 C CA . GLU A 1 332 ? -35.470 21.877 -5.307 1.00 22.12 ? 413 GLU A CA 1 ATOM 2588 C C . GLU A 1 332 ? -35.657 21.872 -3.787 1.00 23.02 ? 413 GLU A C 1 ATOM 2589 O O . GLU A 1 332 ? -35.432 20.855 -3.122 1.00 22.61 ? 413 GLU A O 1 ATOM 2590 C CB . GLU A 1 332 ? -36.473 20.927 -5.961 1.00 22.83 ? 413 GLU A CB 1 ATOM 2591 C CG . GLU A 1 332 ? -37.923 21.318 -5.695 1.00 24.02 ? 413 GLU A CG 1 ATOM 2592 C CD . GLU A 1 332 ? -38.926 20.535 -6.515 1.00 25.35 ? 413 GLU A CD 1 ATOM 2593 O OE1 . GLU A 1 332 ? -38.517 19.676 -7.326 1.00 26.34 ? 413 GLU A OE1 1 ATOM 2594 O OE2 . GLU A 1 332 ? -40.143 20.783 -6.341 1.00 25.89 ? 413 GLU A OE2 1 ATOM 2595 N N . GLY A 1 333 ? -36.053 23.024 -3.252 1.00 23.92 ? 414 GLY A N 1 ATOM 2596 C CA . GLY A 1 333 ? -36.426 23.147 -1.854 1.00 25.42 ? 414 GLY A CA 1 ATOM 2597 C C . GLY A 1 333 ? -37.933 23.101 -1.719 1.00 27.05 ? 414 GLY A C 1 ATOM 2598 O O . GLY A 1 333 ? -38.658 22.890 -2.696 1.00 27.17 ? 414 GLY A O 1 ATOM 2599 N N . LYS A 1 334 ? -38.404 23.312 -0.496 1.00 29.20 ? 415 LYS A N 1 ATOM 2600 C CA . LYS A 1 334 ? -39.831 23.256 -0.194 1.00 30.48 ? 415 LYS A CA 1 ATOM 2601 C C . LYS A 1 334 ? -40.656 24.258 -1.010 1.00 29.42 ? 415 LYS A C 1 ATOM 2602 O O . LYS A 1 334 ? -41.693 23.894 -1.570 1.00 29.97 ? 415 LYS A O 1 ATOM 2603 C CB . LYS A 1 334 ? -40.048 23.489 1.307 1.00 33.22 ? 415 LYS A CB 1 ATOM 2604 C CG . LYS A 1 334 ? -41.442 23.149 1.804 1.00 36.29 ? 415 LYS A CG 1 ATOM 2605 C CD . LYS A 1 334 ? -41.424 22.796 3.286 1.00 38.62 ? 415 LYS A CD 1 ATOM 2606 C CE . LYS A 1 334 ? -42.822 22.510 3.807 1.00 40.56 ? 415 LYS A CE 1 ATOM 2607 N NZ . LYS A 1 334 ? -42.788 21.755 5.090 1.00 41.54 ? 415 LYS A NZ 1 ATOM 2608 N N A SER A 1 335 ? -40.189 25.504 -1.075 0.48 28.37 ? 416 SER A N 1 ATOM 2609 N N B SER A 1 335 ? -40.188 25.502 -1.085 0.52 28.44 ? 416 SER A N 1 ATOM 2610 C CA A SER A 1 335 ? -40.928 26.585 -1.739 0.48 28.05 ? 416 SER A CA 1 ATOM 2611 C CA B SER A 1 335 ? -40.938 26.573 -1.751 0.52 28.18 ? 416 SER A CA 1 ATOM 2612 C C A SER A 1 335 ? -40.226 27.195 -2.958 0.48 26.96 ? 416 SER A C 1 ATOM 2613 C C B SER A 1 335 ? -40.203 27.261 -2.909 0.52 27.05 ? 416 SER A C 1 ATOM 2614 O O A SER A 1 335 ? -40.857 27.918 -3.730 0.48 26.97 ? 416 SER A O 1 ATOM 2615 O O B SER A 1 335 ? -40.785 28.111 -3.586 0.52 26.99 ? 416 SER A O 1 ATOM 2616 C CB A SER A 1 335 ? -41.213 27.701 -0.735 0.48 28.39 ? 416 SER A CB 1 ATOM 2617 C CB B SER A 1 335 ? -41.346 27.622 -0.715 0.52 28.66 ? 416 SER A CB 1 ATOM 2618 O OG A SER A 1 335 ? -40.026 28.403 -0.417 0.48 28.11 ? 416 SER A OG 1 ATOM 2619 O OG B SER A 1 335 ? -42.061 27.020 0.351 0.52 29.06 ? 416 SER A OG 1 ATOM 2620 N N . CYS A 1 336 ? -38.935 26.919 -3.133 1.00 25.54 ? 417 CYS A N 1 ATOM 2621 C CA . CYS A 1 336 ? -38.162 27.543 -4.207 1.00 24.20 ? 417 CYS A CA 1 ATOM 2622 C C . CYS A 1 336 ? -37.073 26.630 -4.745 1.00 22.08 ? 417 CYS A C 1 ATOM 2623 O O . CYS A 1 336 ? -36.718 25.634 -4.115 1.00 21.52 ? 417 CYS A O 1 ATOM 2624 C CB . CYS A 1 336 ? -37.555 28.873 -3.738 1.00 24.92 ? 417 CYS A CB 1 ATOM 2625 S SG . CYS A 1 336 ? -36.421 28.777 -2.324 1.00 26.13 ? 417 CYS A SG 1 ATOM 2626 N N . ILE A 1 337 ? -36.564 26.982 -5.924 1.00 20.13 ? 418 ILE A N 1 ATOM 2627 C CA . ILE A 1 337 ? -35.446 26.273 -6.535 1.00 18.95 ? 418 ILE A CA 1 ATOM 2628 C C . ILE A 1 337 ? -34.181 27.043 -6.204 1.00 18.00 ? 418 ILE A C 1 ATOM 2629 O O . ILE A 1 337 ? -34.079 28.233 -6.505 1.00 17.64 ? 418 ILE A O 1 ATOM 2630 C CB . ILE A 1 337 ? -35.591 26.176 -8.071 1.00 18.81 ? 418 ILE A CB 1 ATOM 2631 C CG1 . ILE A 1 337 ? -36.965 25.602 -8.456 1.00 19.12 ? 418 ILE A CG1 1 ATOM 2632 C CG2 . ILE A 1 337 ? -34.465 25.338 -8.664 1.00 18.40 ? 418 ILE A CG2 1 ATOM 2633 C CD1 . ILE A 1 337 ? -37.290 24.282 -7.797 1.00 19.05 ? 418 ILE A CD1 1 ATOM 2634 N N . ASN A 1 338 ? -33.226 26.359 -5.583 1.00 17.34 ? 419 ASN A N 1 ATOM 2635 C CA . ASN A 1 338 ? -31.968 26.971 -5.187 1.00 16.99 ? 419 ASN A CA 1 ATOM 2636 C C . ASN A 1 338 ? -30.918 26.738 -6.258 1.00 16.44 ? 419 ASN A C 1 ATOM 2637 O O . ASN A 1 338 ? -30.985 25.746 -6.991 1.00 16.20 ? 419 ASN A O 1 ATOM 2638 C CB . ASN A 1 338 ? -31.489 26.382 -3.855 1.00 16.94 ? 419 ASN A CB 1 ATOM 2639 C CG . ASN A 1 338 ? -30.499 27.279 -3.136 1.00 16.94 ? 419 ASN A CG 1 ATOM 2640 O OD1 . ASN A 1 338 ? -30.384 28.466 -3.439 1.00 16.85 ? 419 ASN A OD1 1 ATOM 2641 N ND2 . ASN A 1 338 ? -29.767 26.706 -2.171 1.00 16.79 ? 419 ASN A ND2 1 ATOM 2642 N N . ARG A 1 339 ? -29.959 27.657 -6.349 1.00 16.03 ? 420 ARG A N 1 ATOM 2643 C CA . ARG A 1 339 ? -28.813 27.506 -7.242 1.00 15.74 ? 420 ARG A CA 1 ATOM 2644 C C . ARG A 1 339 ? -27.561 27.245 -6.425 1.00 15.61 ? 420 ARG A C 1 ATOM 2645 O O . ARG A 1 339 ? -27.293 27.947 -5.450 1.00 15.52 ? 420 ARG A O 1 ATOM 2646 C CB . ARG A 1 339 ? -28.587 28.769 -8.077 1.00 15.80 ? 420 ARG A CB 1 ATOM 2647 C CG . ARG A 1 339 ? -29.821 29.322 -8.767 1.00 16.13 ? 420 ARG A CG 1 ATOM 2648 C CD . ARG A 1 339 ? -30.500 28.317 -9.686 1.00 16.01 ? 420 ARG A CD 1 ATOM 2649 N NE . ARG A 1 339 ? -31.622 28.952 -10.377 1.00 16.46 ? 420 ARG A NE 1 ATOM 2650 C CZ . ARG A 1 339 ? -32.501 28.335 -11.163 1.00 16.52 ? 420 ARG A CZ 1 ATOM 2651 N NH1 . ARG A 1 339 ? -32.411 27.033 -11.411 1.00 16.22 ? 420 ARG A NH1 1 ATOM 2652 N NH2 . ARG A 1 339 ? -33.482 29.045 -11.718 1.00 16.78 ? 420 ARG A NH2 1 ATOM 2653 N N . CYS A 1 340 ? -26.793 26.246 -6.851 1.00 15.56 ? 421 CYS A N 1 ATOM 2654 C CA . CYS A 1 340 ? -25.524 25.888 -6.227 1.00 15.79 ? 421 CYS A CA 1 ATOM 2655 C C . CYS A 1 340 ? -24.460 25.842 -7.300 1.00 15.15 ? 421 CYS A C 1 ATOM 2656 O O . CYS A 1 340 ? -24.777 25.842 -8.489 1.00 14.96 ? 421 CYS A O 1 ATOM 2657 C CB . CYS A 1 340 ? -25.621 24.509 -5.573 1.00 16.37 ? 421 CYS A CB 1 ATOM 2658 S SG . CYS A 1 340 ? -26.898 24.345 -4.301 1.00 17.69 ? 421 CYS A SG 1 ATOM 2659 N N . PHE A 1 341 ? -23.198 25.774 -6.892 1.00 14.50 ? 422 PHE A N 1 ATOM 2660 C CA . PHE A 1 341 ? -22.114 25.608 -7.855 1.00 14.32 ? 422 PHE A CA 1 ATOM 2661 C C . PHE A 1 341 ? -20.956 24.828 -7.259 1.00 13.94 ? 422 PHE A C 1 ATOM 2662 O O . PHE A 1 341 ? -20.806 24.749 -6.039 1.00 13.93 ? 422 PHE A O 1 ATOM 2663 C CB . PHE A 1 341 ? -21.622 26.962 -8.371 1.00 14.41 ? 422 PHE A CB 1 ATOM 2664 C CG . PHE A 1 341 ? -20.911 27.783 -7.338 1.00 14.59 ? 422 PHE A CG 1 ATOM 2665 C CD1 . PHE A 1 341 ? -21.624 28.605 -6.477 1.00 14.76 ? 422 PHE A CD1 1 ATOM 2666 C CD2 . PHE A 1 341 ? -19.522 27.738 -7.225 1.00 14.68 ? 422 PHE A CD2 1 ATOM 2667 C CE1 . PHE A 1 341 ? -20.967 29.369 -5.525 1.00 14.91 ? 422 PHE A CE1 1 ATOM 2668 C CE2 . PHE A 1 341 ? -18.864 28.497 -6.274 1.00 14.86 ? 422 PHE A CE2 1 ATOM 2669 C CZ . PHE A 1 341 ? -19.587 29.309 -5.418 1.00 15.10 ? 422 PHE A CZ 1 ATOM 2670 N N . TYR A 1 342 ? -20.151 24.250 -8.142 1.00 13.81 ? 423 TYR A N 1 ATOM 2671 C CA . TYR A 1 342 ? -18.935 23.543 -7.759 1.00 13.44 ? 423 TYR A CA 1 ATOM 2672 C C . TYR A 1 342 ? -17.762 24.248 -8.420 1.00 13.34 ? 423 TYR A C 1 ATOM 2673 O O . TYR A 1 342 ? -17.922 24.919 -9.447 1.00 13.29 ? 423 TYR A O 1 ATOM 2674 C CB . TYR A 1 342 ? -18.994 22.072 -8.208 1.00 13.39 ? 423 TYR A CB 1 ATOM 2675 C CG . TYR A 1 342 ? -19.025 21.953 -9.704 1.00 13.20 ? 423 TYR A CG 1 ATOM 2676 C CD1 . TYR A 1 342 ? -17.848 21.931 -10.445 1.00 13.04 ? 423 TYR A CD1 1 ATOM 2677 C CD2 . TYR A 1 342 ? -20.235 21.922 -10.390 1.00 13.07 ? 423 TYR A CD2 1 ATOM 2678 C CE1 . TYR A 1 342 ? -17.878 21.873 -11.826 1.00 13.06 ? 423 TYR A CE1 1 ATOM 2679 C CE2 . TYR A 1 342 ? -20.273 21.856 -11.768 1.00 12.93 ? 423 TYR A CE2 1 ATOM 2680 C CZ . TYR A 1 342 ? -19.099 21.831 -12.484 1.00 13.08 ? 423 TYR A CZ 1 ATOM 2681 O OH . TYR A 1 342 ? -19.142 21.775 -13.862 1.00 13.25 ? 423 TYR A OH 1 ATOM 2682 N N . VAL A 1 343 ? -16.580 24.088 -7.830 1.00 13.08 ? 424 VAL A N 1 ATOM 2683 C CA . VAL A 1 343 ? -15.337 24.555 -8.425 1.00 13.08 ? 424 VAL A CA 1 ATOM 2684 C C . VAL A 1 343 ? -14.360 23.383 -8.477 1.00 12.65 ? 424 VAL A C 1 ATOM 2685 O O . VAL A 1 343 ? -14.116 22.721 -7.471 1.00 12.33 ? 424 VAL A O 1 ATOM 2686 C CB . VAL A 1 343 ? -14.694 25.713 -7.635 1.00 13.41 ? 424 VAL A CB 1 ATOM 2687 C CG1 . VAL A 1 343 ? -13.470 26.242 -8.383 1.00 13.56 ? 424 VAL A CG1 1 ATOM 2688 C CG2 . VAL A 1 343 ? -15.707 26.831 -7.405 1.00 13.74 ? 424 VAL A CG2 1 ATOM 2689 N N . GLU A 1 344 ? -13.854 23.128 -9.676 1.00 12.58 ? 425 GLU A N 1 ATOM 2690 C CA . GLU A 1 344 ? -12.806 22.158 -9.914 1.00 12.50 ? 425 GLU A CA 1 ATOM 2691 C C . GLU A 1 344 ? -11.470 22.779 -9.506 1.00 12.78 ? 425 GLU A C 1 ATOM 2692 O O . GLU A 1 344 ? -11.131 23.884 -9.942 1.00 12.72 ? 425 GLU A O 1 ATOM 2693 C CB . GLU A 1 344 ? -12.779 21.795 -11.395 1.00 12.49 ? 425 GLU A CB 1 ATOM 2694 C CG . GLU A 1 344 ? -11.681 20.822 -11.788 1.00 12.54 ? 425 GLU A CG 1 ATOM 2695 C CD . GLU A 1 344 ? -11.491 20.711 -13.290 1.00 12.61 ? 425 GLU A CD 1 ATOM 2696 O OE1 . GLU A 1 344 ? -11.602 21.734 -14.006 1.00 12.62 ? 425 GLU A OE1 1 ATOM 2697 O OE2 . GLU A 1 344 ? -11.184 19.590 -13.747 1.00 12.72 ? 425 GLU A OE2 1 ATOM 2698 N N . LEU A 1 345 ? -10.713 22.056 -8.689 1.00 12.94 ? 426 LEU A N 1 ATOM 2699 C CA . LEU A 1 345 ? -9.442 22.545 -8.166 1.00 13.22 ? 426 LEU A CA 1 ATOM 2700 C C . LEU A 1 345 ? -8.327 21.685 -8.761 1.00 13.55 ? 426 LEU A C 1 ATOM 2701 O O . LEU A 1 345 ? -8.016 20.615 -8.251 1.00 13.38 ? 426 LEU A O 1 ATOM 2702 C CB . LEU A 1 345 ? -9.447 22.483 -6.638 1.00 13.31 ? 426 LEU A CB 1 ATOM 2703 C CG . LEU A 1 345 ? -10.667 23.125 -5.963 1.00 13.36 ? 426 LEU A CG 1 ATOM 2704 C CD1 . LEU A 1 345 ? -10.684 22.860 -4.465 1.00 13.56 ? 426 LEU A CD1 1 ATOM 2705 C CD2 . LEU A 1 345 ? -10.684 24.618 -6.229 1.00 13.47 ? 426 LEU A CD2 1 ATOM 2706 N N . ILE A 1 346 ? -7.755 22.166 -9.861 1.00 13.89 ? 427 ILE A N 1 ATOM 2707 C CA . ILE A 1 346 ? -6.831 21.384 -10.669 1.00 14.12 ? 427 ILE A CA 1 ATOM 2708 C C . ILE A 1 346 ? -5.438 21.426 -10.068 1.00 14.32 ? 427 ILE A C 1 ATOM 2709 O O . ILE A 1 346 ? -4.901 22.504 -9.818 1.00 14.76 ? 427 ILE A O 1 ATOM 2710 C CB . ILE A 1 346 ? -6.736 21.912 -12.121 1.00 14.18 ? 427 ILE A CB 1 ATOM 2711 C CG1 . ILE A 1 346 ? -8.100 21.885 -12.801 1.00 14.15 ? 427 ILE A CG1 1 ATOM 2712 C CG2 . ILE A 1 346 ? -5.729 21.081 -12.920 1.00 14.44 ? 427 ILE A CG2 1 ATOM 2713 C CD1 . ILE A 1 346 ? -8.140 22.622 -14.124 1.00 14.27 ? 427 ILE A CD1 1 ATOM 2714 N N . ARG A 1 347 ? -4.859 20.247 -9.857 1.00 14.54 ? 428 ARG A N 1 ATOM 2715 C CA . ARG A 1 347 ? -3.481 20.117 -9.391 1.00 14.87 ? 428 ARG A CA 1 ATOM 2716 C C . ARG A 1 347 ? -2.628 19.329 -10.389 1.00 15.35 ? 428 ARG A C 1 ATOM 2717 O O . ARG A 1 347 ? -3.137 18.492 -11.138 1.00 15.00 ? 428 ARG A O 1 ATOM 2718 C CB . ARG A 1 347 ? -3.450 19.418 -8.033 1.00 14.97 ? 428 ARG A CB 1 ATOM 2719 C CG . ARG A 1 347 ? -4.208 20.133 -6.919 1.00 14.91 ? 428 ARG A CG 1 ATOM 2720 C CD . ARG A 1 347 ? -3.771 21.579 -6.724 1.00 15.12 ? 428 ARG A CD 1 ATOM 2721 N NE . ARG A 1 347 ? -2.361 21.710 -6.360 1.00 15.68 ? 428 ARG A NE 1 ATOM 2722 C CZ . ARG A 1 347 ? -1.885 21.695 -5.116 1.00 15.94 ? 428 ARG A CZ 1 ATOM 2723 N NH1 . ARG A 1 347 ? -2.690 21.531 -4.070 1.00 15.84 ? 428 ARG A NH1 1 ATOM 2724 N NH2 . ARG A 1 347 ? -0.573 21.837 -4.917 1.00 16.81 ? 428 ARG A NH2 1 ATOM 2725 N N . GLY A 1 348 ? -1.327 19.604 -10.388 1.00 16.17 ? 429 GLY A N 1 ATOM 2726 C CA . GLY A 1 348 ? -0.391 18.904 -11.253 1.00 17.14 ? 429 GLY A CA 1 ATOM 2727 C C . GLY A 1 348 ? -0.112 19.702 -12.512 1.00 18.34 ? 429 GLY A C 1 ATOM 2728 O O . GLY A 1 348 ? -0.115 20.932 -12.488 1.00 18.04 ? 429 GLY A O 1 ATOM 2729 N N . ARG A 1 349 ? 0.119 19.002 -13.619 1.00 20.06 ? 430 ARG A N 1 ATOM 2730 C CA . ARG A 1 349 ? 0.533 19.657 -14.863 1.00 21.74 ? 430 ARG A CA 1 ATOM 2731 C C . ARG A 1 349 ? -0.645 20.355 -15.547 1.00 22.29 ? 430 ARG A C 1 ATOM 2732 O O . ARG A 1 349 ? -1.803 19.962 -15.347 1.00 22.26 ? 430 ARG A O 1 ATOM 2733 C CB . ARG A 1 349 ? 1.233 18.645 -15.785 1.00 23.08 ? 430 ARG A CB 1 ATOM 2734 C CG . ARG A 1 349 ? 2.487 18.063 -15.145 1.00 24.77 ? 430 ARG A CG 1 ATOM 2735 C CD . ARG A 1 349 ? 3.571 17.631 -16.129 1.00 26.22 ? 430 ARG A CD 1 ATOM 2736 N NE . ARG A 1 349 ? 4.842 17.392 -15.436 1.00 27.99 ? 430 ARG A NE 1 ATOM 2737 C CZ . ARG A 1 349 ? 6.037 17.272 -16.020 1.00 28.84 ? 430 ARG A CZ 1 ATOM 2738 N NH1 . ARG A 1 349 ? 6.164 17.348 -17.339 1.00 29.50 ? 430 ARG A NH1 1 ATOM 2739 N NH2 . ARG A 1 349 ? 7.118 17.059 -15.277 1.00 29.52 ? 430 ARG A NH2 1 ATOM 2740 N N . PRO A 1 350 ? -0.369 21.419 -16.328 1.00 22.89 ? 431 PRO A N 1 ATOM 2741 C CA . PRO A 1 350 ? 0.951 21.991 -16.641 1.00 23.43 ? 431 PRO A CA 1 ATOM 2742 C C . PRO A 1 350 ? 1.522 22.951 -15.589 1.00 23.29 ? 431 PRO A C 1 ATOM 2743 O O . PRO A 1 350 ? 2.704 23.284 -15.656 1.00 23.81 ? 431 PRO A O 1 ATOM 2744 C CB . PRO A 1 350 ? 0.687 22.756 -17.941 1.00 23.66 ? 431 PRO A CB 1 ATOM 2745 C CG . PRO A 1 350 ? -0.724 23.213 -17.811 1.00 23.61 ? 431 PRO A CG 1 ATOM 2746 C CD . PRO A 1 350 ? -1.448 22.141 -17.028 1.00 23.20 ? 431 PRO A CD 1 ATOM 2747 N N . GLN A 1 351 ? 0.717 23.380 -14.622 1.00 23.10 ? 432 GLN A N 1 ATOM 2748 C CA . GLN A 1 351 ? 1.153 24.423 -13.687 1.00 23.71 ? 432 GLN A CA 1 ATOM 2749 C C . GLN A 1 351 ? 2.175 23.937 -12.657 1.00 22.64 ? 432 GLN A C 1 ATOM 2750 O O . GLN A 1 351 ? 3.037 24.709 -12.231 1.00 23.04 ? 432 GLN A O 1 ATOM 2751 C CB . GLN A 1 351 ? -0.044 25.052 -12.971 1.00 24.75 ? 432 GLN A CB 1 ATOM 2752 C CG . GLN A 1 351 ? -1.025 25.780 -13.887 1.00 26.19 ? 432 GLN A CG 1 ATOM 2753 C CD . GLN A 1 351 ? -0.461 27.047 -14.520 1.00 28.01 ? 432 GLN A CD 1 ATOM 2754 O OE1 . GLN A 1 351 ? 0.569 27.577 -14.098 1.00 29.30 ? 432 GLN A OE1 1 ATOM 2755 N NE2 . GLN A 1 351 ? -1.153 27.549 -15.540 1.00 29.52 ? 432 GLN A NE2 1 ATOM 2756 N N . GLU A 1 352 ? 2.078 22.670 -12.258 1.00 21.14 ? 433 GLU A N 1 ATOM 2757 C CA . GLU A 1 352 ? 2.954 22.108 -11.229 1.00 20.80 ? 433 GLU A CA 1 ATOM 2758 C C . GLU A 1 352 ? 3.702 20.895 -11.783 1.00 21.21 ? 433 GLU A C 1 ATOM 2759 O O . GLU A 1 352 ? 3.157 19.790 -11.874 1.00 20.88 ? 433 GLU A O 1 ATOM 2760 C CB . GLU A 1 352 ? 2.134 21.741 -9.992 1.00 20.08 ? 433 GLU A CB 1 ATOM 2761 C CG . GLU A 1 352 ? 1.309 22.907 -9.459 1.00 19.53 ? 433 GLU A CG 1 ATOM 2762 C CD . GLU A 1 352 ? 0.365 22.518 -8.339 1.00 19.04 ? 433 GLU A CD 1 ATOM 2763 O OE1 . GLU A 1 352 ? 0.638 22.898 -7.183 1.00 18.42 ? 433 GLU A OE1 1 ATOM 2764 O OE2 . GLU A 1 352 ? -0.666 21.853 -8.613 1.00 18.74 ? 433 GLU A OE2 1 ATOM 2765 N N . THR A 1 353 ? 4.964 21.105 -12.144 1.00 21.99 ? 434 THR A N 1 ATOM 2766 C CA . THR A 1 353 ? 5.717 20.113 -12.913 1.00 22.23 ? 434 THR A CA 1 ATOM 2767 C C . THR A 1 353 ? 6.563 19.145 -12.082 1.00 22.18 ? 434 THR A C 1 ATOM 2768 O O . THR A 1 353 ? 7.251 18.295 -12.648 1.00 22.44 ? 434 THR A O 1 ATOM 2769 C CB . THR A 1 353 ? 6.614 20.811 -13.954 1.00 23.10 ? 434 THR A CB 1 ATOM 2770 O OG1 . THR A 1 353 ? 7.510 21.701 -13.289 1.00 23.50 ? 434 THR A OG1 1 ATOM 2771 C CG2 . THR A 1 353 ? 5.766 21.601 -14.942 1.00 23.24 ? 434 THR A CG2 1 ATOM 2772 N N . ARG A 1 354 ? 6.512 19.243 -10.754 1.00 21.57 ? 435 ARG A N 1 ATOM 2773 C CA . ARG A 1 354 ? 7.130 18.224 -9.906 1.00 21.60 ? 435 ARG A CA 1 ATOM 2774 C C . ARG A 1 354 ? 6.526 16.851 -10.208 1.00 20.77 ? 435 ARG A C 1 ATOM 2775 O O . ARG A 1 354 ? 7.226 15.836 -10.220 1.00 20.45 ? 435 ARG A O 1 ATOM 2776 C CB . ARG A 1 354 ? 6.949 18.532 -8.411 1.00 21.60 ? 435 ARG A CB 1 ATOM 2777 C CG . ARG A 1 354 ? 7.549 17.450 -7.532 1.00 22.07 ? 435 ARG A CG 1 ATOM 2778 C CD . ARG A 1 354 ? 7.646 17.786 -6.054 1.00 22.05 ? 435 ARG A CD 1 ATOM 2779 N NE . ARG A 1 354 ? 8.221 16.636 -5.367 1.00 22.61 ? 435 ARG A NE 1 ATOM 2780 C CZ . ARG A 1 354 ? 7.546 15.538 -5.014 1.00 22.70 ? 435 ARG A CZ 1 ATOM 2781 N NH1 . ARG A 1 354 ? 6.233 15.437 -5.222 1.00 21.88 ? 435 ARG A NH1 1 ATOM 2782 N NH2 . ARG A 1 354 ? 8.187 14.536 -4.429 1.00 23.12 ? 435 ARG A NH2 1 ATOM 2783 N N . VAL A 1 355 ? 5.218 16.842 -10.436 1.00 20.32 ? 436 VAL A N 1 ATOM 2784 C CA . VAL A 1 355 ? 4.477 15.622 -10.744 1.00 19.87 ? 436 VAL A CA 1 ATOM 2785 C C . VAL A 1 355 ? 4.181 15.525 -12.239 1.00 20.31 ? 436 VAL A C 1 ATOM 2786 O O . VAL A 1 355 ? 4.204 16.525 -12.958 1.00 20.41 ? 436 VAL A O 1 ATOM 2787 C CB . VAL A 1 355 ? 3.169 15.557 -9.932 1.00 19.22 ? 436 VAL A CB 1 ATOM 2788 C CG1 . VAL A 1 355 ? 3.466 15.731 -8.447 1.00 19.10 ? 436 VAL A CG1 1 ATOM 2789 C CG2 . VAL A 1 355 ? 2.160 16.596 -10.411 1.00 18.74 ? 436 VAL A CG2 1 ATOM 2790 N N . TRP A 1 356 ? 3.891 14.312 -12.697 1.00 20.66 ? 437 TRP A N 1 ATOM 2791 C CA . TRP A 1 356 ? 3.648 14.056 -14.115 1.00 20.80 ? 437 TRP A CA 1 ATOM 2792 C C . TRP A 1 356 ? 2.155 13.957 -14.451 1.00 19.39 ? 437 TRP A C 1 ATOM 2793 O O . TRP A 1 356 ? 1.768 14.019 -15.613 1.00 19.33 ? 437 TRP A O 1 ATOM 2794 C CB . TRP A 1 356 ? 4.403 12.792 -14.528 1.00 22.54 ? 437 TRP A CB 1 ATOM 2795 C CG . TRP A 1 356 ? 5.895 12.970 -14.393 1.00 24.88 ? 437 TRP A CG 1 ATOM 2796 C CD1 . TRP A 1 356 ? 6.649 12.793 -13.262 1.00 26.12 ? 437 TRP A CD1 1 ATOM 2797 C CD2 . TRP A 1 356 ? 6.801 13.398 -15.414 1.00 26.56 ? 437 TRP A CD2 1 ATOM 2798 N NE1 . TRP A 1 356 ? 7.973 13.075 -13.523 1.00 27.18 ? 437 TRP A NE1 1 ATOM 2799 C CE2 . TRP A 1 356 ? 8.092 13.448 -14.837 1.00 27.59 ? 437 TRP A CE2 1 ATOM 2800 C CE3 . TRP A 1 356 ? 6.649 13.742 -16.760 1.00 27.22 ? 437 TRP A CE3 1 ATOM 2801 C CZ2 . TRP A 1 356 ? 9.226 13.827 -15.566 1.00 28.53 ? 437 TRP A CZ2 1 ATOM 2802 C CZ3 . TRP A 1 356 ? 7.777 14.117 -17.484 1.00 28.64 ? 437 TRP A CZ3 1 ATOM 2803 C CH2 . TRP A 1 356 ? 9.048 14.155 -16.885 1.00 28.91 ? 437 TRP A CH2 1 ATOM 2804 N N . TRP A 1 357 ? 1.331 13.855 -13.417 1.00 17.56 ? 438 TRP A N 1 ATOM 2805 C CA . TRP A 1 357 ? -0.117 13.724 -13.569 1.00 16.50 ? 438 TRP A CA 1 ATOM 2806 C C . TRP A 1 357 ? -0.828 15.072 -13.514 1.00 16.07 ? 438 TRP A C 1 ATOM 2807 O O . TRP A 1 357 ? -0.239 16.108 -13.157 1.00 15.82 ? 438 TRP A O 1 ATOM 2808 C CB . TRP A 1 357 ? -0.676 12.793 -12.483 1.00 15.80 ? 438 TRP A CB 1 ATOM 2809 C CG . TRP A 1 357 ? -0.208 13.098 -11.090 1.00 15.44 ? 438 TRP A CG 1 ATOM 2810 C CD1 . TRP A 1 357 ? 0.764 12.441 -10.393 1.00 15.45 ? 438 TRP A CD1 1 ATOM 2811 C CD2 . TRP A 1 357 ? -0.700 14.129 -10.217 1.00 15.03 ? 438 TRP A CD2 1 ATOM 2812 N NE1 . TRP A 1 357 ? 0.908 12.996 -9.147 1.00 15.38 ? 438 TRP A NE1 1 ATOM 2813 C CE2 . TRP A 1 357 ? 0.024 14.036 -9.015 1.00 15.01 ? 438 TRP A CE2 1 ATOM 2814 C CE3 . TRP A 1 357 ? -1.686 15.119 -10.337 1.00 14.55 ? 438 TRP A CE3 1 ATOM 2815 C CZ2 . TRP A 1 357 ? -0.206 14.890 -7.934 1.00 14.89 ? 438 TRP A CZ2 1 ATOM 2816 C CZ3 . TRP A 1 357 ? -1.910 15.972 -9.260 1.00 14.52 ? 438 TRP A CZ3 1 ATOM 2817 C CH2 . TRP A 1 357 ? -1.162 15.855 -8.079 1.00 14.75 ? 438 TRP A CH2 1 ATOM 2818 N N . THR A 1 358 ? -2.108 15.037 -13.870 1.00 15.58 ? 439 THR A N 1 ATOM 2819 C CA . THR A 1 358 ? -3.018 16.157 -13.721 1.00 15.50 ? 439 THR A CA 1 ATOM 2820 C C . THR A 1 358 ? -4.291 15.582 -13.117 1.00 14.86 ? 439 THR A C 1 ATOM 2821 O O . THR A 1 358 ? -4.825 14.600 -13.627 1.00 14.20 ? 439 THR A O 1 ATOM 2822 C CB . THR A 1 358 ? -3.359 16.799 -15.080 1.00 16.10 ? 439 THR A CB 1 ATOM 2823 O OG1 . THR A 1 358 ? -2.166 17.306 -15.689 1.00 17.09 ? 439 THR A OG1 1 ATOM 2824 C CG2 . THR A 1 358 ? -4.357 17.923 -14.915 1.00 16.20 ? 439 THR A CG2 1 ATOM 2825 N N . SER A 1 359 ? -4.752 16.160 -12.014 1.00 14.52 ? 440 SER A N 1 ATOM 2826 C CA . SER A 1 359 ? -5.987 15.698 -11.385 1.00 14.27 ? 440 SER A CA 1 ATOM 2827 C C . SER A 1 359 ? -6.692 16.869 -10.712 1.00 14.40 ? 440 SER A C 1 ATOM 2828 O O . SER A 1 359 ? -6.266 18.013 -10.861 1.00 14.84 ? 440 SER A O 1 ATOM 2829 C CB . SER A 1 359 ? -5.705 14.568 -10.390 1.00 14.18 ? 440 SER A CB 1 ATOM 2830 O OG . SER A 1 359 ? -6.905 13.881 -10.034 1.00 14.06 ? 440 SER A OG 1 ATOM 2831 N N . ASN A 1 360 ? -7.782 16.595 -10.001 1.00 14.10 ? 441 ASN A N 1 ATOM 2832 C CA . ASN A 1 360 ? -8.503 17.654 -9.301 1.00 13.96 ? 441 ASN A CA 1 ATOM 2833 C C . ASN A 1 360 ? -9.225 17.181 -8.054 1.00 13.84 ? 441 ASN A C 1 ATOM 2834 O O . ASN A 1 360 ? -9.528 15.994 -7.918 1.00 13.47 ? 441 ASN A O 1 ATOM 2835 C CB . ASN A 1 360 ? -9.538 18.284 -10.233 1.00 13.95 ? 441 ASN A CB 1 ATOM 2836 C CG . ASN A 1 360 ? -10.760 17.397 -10.420 1.00 14.03 ? 441 ASN A CG 1 ATOM 2837 O OD1 . ASN A 1 360 ? -10.731 16.453 -11.197 1.00 14.27 ? 441 ASN A OD1 1 ATOM 2838 N ND2 . ASN A 1 360 ? -11.820 17.669 -9.667 1.00 13.82 ? 441 ASN A ND2 1 ATOM 2839 N N . SER A 1 361 ? -9.522 18.132 -7.166 1.00 13.61 ? 442 SER A N 1 ATOM 2840 C CA . SER A 1 361 ? -10.525 17.953 -6.133 1.00 13.73 ? 442 SER A CA 1 ATOM 2841 C C . SER A 1 361 ? -11.650 18.947 -6.411 1.00 13.64 ? 442 SER A C 1 ATOM 2842 O O . SER A 1 361 ? -11.612 19.668 -7.410 1.00 13.68 ? 442 SER A O 1 ATOM 2843 C CB . SER A 1 361 ? -9.939 18.146 -4.728 1.00 13.86 ? 442 SER A CB 1 ATOM 2844 O OG . SER A 1 361 ? -9.577 19.493 -4.478 1.00 14.26 ? 442 SER A OG 1 ATOM 2845 N N . ILE A 1 362 ? -12.657 18.972 -5.548 1.00 13.91 ? 443 ILE A N 1 ATOM 2846 C CA . ILE A 1 362 ? -13.777 19.888 -5.729 1.00 13.98 ? 443 ILE A CA 1 ATOM 2847 C C . ILE A 1 362 ? -14.143 20.577 -4.425 1.00 13.57 ? 443 ILE A C 1 ATOM 2848 O O . ILE A 1 362 ? -13.907 20.057 -3.335 1.00 13.42 ? 443 ILE A O 1 ATOM 2849 C CB . ILE A 1 362 ? -15.033 19.194 -6.316 1.00 14.62 ? 443 ILE A CB 1 ATOM 2850 C CG1 . ILE A 1 362 ? -15.613 18.173 -5.343 1.00 15.18 ? 443 ILE A CG1 1 ATOM 2851 C CG2 . ILE A 1 362 ? -14.716 18.529 -7.656 1.00 14.89 ? 443 ILE A CG2 1 ATOM 2852 C CD1 . ILE A 1 362 ? -16.952 17.612 -5.770 1.00 15.54 ? 443 ILE A CD1 1 ATOM 2853 N N . VAL A 1 363 ? -14.721 21.760 -4.555 1.00 13.34 ? 444 VAL A N 1 ATOM 2854 C CA . VAL A 1 363 ? -15.391 22.408 -3.439 1.00 13.51 ? 444 VAL A CA 1 ATOM 2855 C C . VAL A 1 363 ? -16.740 22.877 -3.980 1.00 13.45 ? 444 VAL A C 1 ATOM 2856 O O . VAL A 1 363 ? -16.859 23.176 -5.171 1.00 13.28 ? 444 VAL A O 1 ATOM 2857 C CB . VAL A 1 363 ? -14.526 23.541 -2.825 1.00 13.68 ? 444 VAL A CB 1 ATOM 2858 C CG1 . VAL A 1 363 ? -14.296 24.675 -3.813 1.00 13.83 ? 444 VAL A CG1 1 ATOM 2859 C CG2 . VAL A 1 363 ? -15.147 24.054 -1.540 1.00 13.82 ? 444 VAL A CG2 1 ATOM 2860 N N . VAL A 1 364 ? -17.749 22.899 -3.114 1.00 13.37 ? 445 VAL A N 1 ATOM 2861 C CA . VAL A 1 364 ? -19.138 23.090 -3.535 1.00 13.65 ? 445 VAL A CA 1 ATOM 2862 C C . VAL A 1 364 ? -19.858 24.012 -2.561 1.00 13.95 ? 445 VAL A C 1 ATOM 2863 O O . VAL A 1 364 ? -19.752 23.842 -1.347 1.00 14.02 ? 445 VAL A O 1 ATOM 2864 C CB . VAL A 1 364 ? -19.890 21.744 -3.599 1.00 13.48 ? 445 VAL A CB 1 ATOM 2865 C CG1 . VAL A 1 364 ? -21.267 21.939 -4.217 1.00 13.60 ? 445 VAL A CG1 1 ATOM 2866 C CG2 . VAL A 1 364 ? -19.084 20.714 -4.386 1.00 13.47 ? 445 VAL A CG2 1 ATOM 2867 N N . PHE A 1 365 ? -20.582 24.987 -3.107 1.00 14.27 ? 446 PHE A N 1 ATOM 2868 C CA . PHE A 1 365 ? -21.328 25.966 -2.329 1.00 14.77 ? 446 PHE A CA 1 ATOM 2869 C C . PHE A 1 365 ? -22.766 26.011 -2.829 1.00 15.23 ? 446 PHE A C 1 ATOM 2870 O O . PHE A 1 365 ? -23.035 25.729 -4.004 1.00 15.09 ? 446 PHE A O 1 ATOM 2871 C CB . PHE A 1 365 ? -20.700 27.359 -2.484 1.00 15.00 ? 446 PHE A CB 1 ATOM 2872 C CG . PHE A 1 365 ? -19.610 27.653 -1.496 1.00 15.04 ? 446 PHE A CG 1 ATOM 2873 C CD1 . PHE A 1 365 ? -18.437 26.918 -1.495 1.00 15.15 ? 446 PHE A CD1 1 ATOM 2874 C CD2 . PHE A 1 365 ? -19.762 28.669 -0.563 1.00 15.38 ? 446 PHE A CD2 1 ATOM 2875 C CE1 . PHE A 1 365 ? -17.432 27.184 -0.580 1.00 15.22 ? 446 PHE A CE1 1 ATOM 2876 C CE2 . PHE A 1 365 ? -18.763 28.948 0.349 1.00 15.47 ? 446 PHE A CE2 1 ATOM 2877 C CZ . PHE A 1 365 ? -17.595 28.201 0.346 1.00 15.43 ? 446 PHE A CZ 1 ATOM 2878 N N . CYS A 1 366 ? -23.680 26.376 -1.937 1.00 15.62 ? 447 CYS A N 1 ATOM 2879 C CA . CYS A 1 366 ? -25.091 26.498 -2.283 1.00 16.09 ? 447 CYS A CA 1 ATOM 2880 C C . CYS A 1 366 ? -25.646 27.854 -1.888 1.00 16.06 ? 447 CYS A C 1 ATOM 2881 O O . CYS A 1 366 ? -25.228 28.451 -0.887 1.00 15.88 ? 447 CYS A O 1 ATOM 2882 C CB . CYS A 1 366 ? -25.909 25.383 -1.634 1.00 16.90 ? 447 CYS A CB 1 ATOM 2883 S SG . CYS A 1 366 ? -25.871 23.845 -2.576 1.00 17.56 ? 447 CYS A SG 1 ATOM 2884 N N . GLY A 1 367 ? -26.597 28.334 -2.684 1.00 15.82 ? 448 GLY A N 1 ATOM 2885 C CA . GLY A 1 367 ? -27.253 29.598 -2.401 1.00 15.97 ? 448 GLY A CA 1 ATOM 2886 C C . GLY A 1 367 ? -27.877 29.574 -1.017 1.00 16.15 ? 448 GLY A C 1 ATOM 2887 O O . GLY A 1 367 ? -28.392 28.545 -0.569 1.00 15.95 ? 448 GLY A O 1 ATOM 2888 N N . THR A 1 368 ? -27.823 30.713 -0.340 1.00 16.34 ? 449 THR A N 1 ATOM 2889 C CA . THR A 1 368 ? -28.433 30.859 0.968 1.00 16.63 ? 449 THR A CA 1 ATOM 2890 C C . THR A 1 368 ? -29.209 32.169 1.020 1.00 17.33 ? 449 THR A C 1 ATOM 2891 O O . THR A 1 368 ? -28.819 33.150 0.391 1.00 17.32 ? 449 THR A O 1 ATOM 2892 C CB . THR A 1 368 ? -27.384 30.816 2.100 1.00 16.30 ? 449 THR A CB 1 ATOM 2893 O OG1 . THR A 1 368 ? -28.044 30.918 3.366 1.00 16.72 ? 449 THR A OG1 1 ATOM 2894 C CG2 . THR A 1 368 ? -26.354 31.945 1.976 1.00 16.28 ? 449 THR A CG2 1 ATOM 2895 N N . SER A 1 369 ? -30.310 32.157 1.768 1.00 17.99 ? 450 SER A N 1 ATOM 2896 C CA . SER A 1 369 ? -31.057 33.374 2.085 1.00 18.66 ? 450 SER A CA 1 ATOM 2897 C C . SER A 1 369 ? -30.650 33.902 3.463 1.00 18.72 ? 450 SER A C 1 ATOM 2898 O O . SER A 1 369 ? -31.145 34.937 3.908 1.00 19.12 ? 450 SER A O 1 ATOM 2899 C CB . SER A 1 369 ? -32.557 33.088 2.063 1.00 19.19 ? 450 SER A CB 1 ATOM 2900 O OG . SER A 1 369 ? -32.891 32.100 3.023 1.00 19.65 ? 450 SER A OG 1 ATOM 2901 N N . GLY A 1 370 ? -29.751 33.188 4.136 1.00 18.08 ? 451 GLY A N 1 ATOM 2902 C CA . GLY A 1 370 ? -29.266 33.596 5.452 1.00 18.05 ? 451 GLY A CA 1 ATOM 2903 C C . GLY A 1 370 ? -28.008 34.442 5.364 1.00 17.68 ? 451 GLY A C 1 ATOM 2904 O O . GLY A 1 370 ? -27.800 35.163 4.392 1.00 17.74 ? 451 GLY A O 1 ATOM 2905 N N . THR A 1 371 ? -27.169 34.358 6.392 1.00 17.31 ? 452 THR A N 1 ATOM 2906 C CA . THR A 1 371 ? -25.925 35.124 6.440 1.00 16.83 ? 452 THR A CA 1 ATOM 2907 C C . THR A 1 371 ? -24.723 34.183 6.510 1.00 16.48 ? 452 THR A C 1 ATOM 2908 O O . THR A 1 371 ? -24.875 32.967 6.664 1.00 16.18 ? 452 THR A O 1 ATOM 2909 C CB . THR A 1 371 ? -25.923 36.102 7.629 1.00 17.14 ? 452 THR A CB 1 ATOM 2910 O OG1 . THR A 1 371 ? -26.162 35.386 8.848 1.00 17.11 ? 452 THR A OG1 1 ATOM 2911 C CG2 . THR A 1 371 ? -27.002 37.160 7.444 1.00 17.41 ? 452 THR A CG2 1 ATOM 2912 N N . TYR A 1 372 ? -23.531 34.758 6.382 1.00 16.04 ? 453 TYR A N 1 ATOM 2913 C CA . TYR A 1 372 ? -22.303 33.984 6.221 1.00 15.82 ? 453 TYR A CA 1 ATOM 2914 C C . TYR A 1 372 ? -21.108 34.889 6.454 1.00 15.81 ? 453 TYR A C 1 ATOM 2915 O O . TYR A 1 372 ? -21.250 36.113 6.535 1.00 15.74 ? 453 TYR A O 1 ATOM 2916 C CB . TYR A 1 372 ? -22.229 33.393 4.809 1.00 15.68 ? 453 TYR A CB 1 ATOM 2917 C CG . TYR A 1 372 ? -22.476 34.413 3.721 1.00 15.69 ? 453 TYR A CG 1 ATOM 2918 C CD1 . TYR A 1 372 ? -21.456 35.247 3.275 1.00 15.80 ? 453 TYR A CD1 1 ATOM 2919 C CD2 . TYR A 1 372 ? -23.740 34.556 3.149 1.00 15.85 ? 453 TYR A CD2 1 ATOM 2920 C CE1 . TYR A 1 372 ? -21.684 36.192 2.286 1.00 15.83 ? 453 TYR A CE1 1 ATOM 2921 C CE2 . TYR A 1 372 ? -23.982 35.497 2.157 1.00 15.91 ? 453 TYR A CE2 1 ATOM 2922 C CZ . TYR A 1 372 ? -22.952 36.317 1.732 1.00 15.89 ? 453 TYR A CZ 1 ATOM 2923 O OH . TYR A 1 372 ? -23.182 37.251 0.750 1.00 15.86 ? 453 TYR A OH 1 ATOM 2924 N N . GLY A 1 373 ? -19.927 34.289 6.533 1.00 15.87 ? 454 GLY A N 1 ATOM 2925 C CA . GLY A 1 373 ? -18.704 35.040 6.779 1.00 15.95 ? 454 GLY A CA 1 ATOM 2926 C C . GLY A 1 373 ? -17.749 34.958 5.608 1.00 16.00 ? 454 GLY A C 1 ATOM 2927 O O . GLY A 1 373 ? -18.141 35.171 4.457 1.00 15.91 ? 454 GLY A O 1 ATOM 2928 N N . THR A 1 374 ? -16.483 34.670 5.906 1.00 16.06 ? 455 THR A N 1 ATOM 2929 C CA . THR A 1 374 ? -15.449 34.603 4.886 1.00 16.09 ? 455 THR A CA 1 ATOM 2930 C C . THR A 1 374 ? -14.565 33.392 5.102 1.00 15.97 ? 455 THR A C 1 ATOM 2931 O O . THR A 1 374 ? -14.498 32.830 6.202 1.00 15.97 ? 455 THR A O 1 ATOM 2932 C CB . THR A 1 374 ? -14.528 35.847 4.896 1.00 16.46 ? 455 THR A CB 1 ATOM 2933 O OG1 . THR A 1 374 ? -14.023 36.061 6.221 1.00 16.73 ? 455 THR A OG1 1 ATOM 2934 C CG2 . THR A 1 374 ? -15.268 37.091 4.422 1.00 16.87 ? 455 THR A CG2 1 ATOM 2935 N N . GLY A 1 375 ? -13.879 33.007 4.035 1.00 15.75 ? 456 GLY A N 1 ATOM 2936 C CA . GLY A 1 375 ? -12.862 31.977 4.100 1.00 15.80 ? 456 GLY A CA 1 ATOM 2937 C C . GLY A 1 375 ? -12.225 31.741 2.746 1.00 15.72 ? 456 GLY A C 1 ATOM 2938 O O . GLY A 1 375 ? -12.410 32.514 1.802 1.00 15.57 ? 456 GLY A O 1 ATOM 2939 N N . SER A 1 376 ? -11.447 30.671 2.676 1.00 15.67 ? 457 SER A N 1 ATOM 2940 C CA . SER A 1 376 ? -10.869 30.194 1.429 1.00 15.41 ? 457 SER A CA 1 ATOM 2941 C C . SER A 1 376 ? -10.728 28.691 1.565 1.00 15.30 ? 457 SER A C 1 ATOM 2942 O O . SER A 1 376 ? -10.211 28.211 2.568 1.00 15.49 ? 457 SER A O 1 ATOM 2943 C CB . SER A 1 376 ? -9.503 30.836 1.168 1.00 15.70 ? 457 SER A CB 1 ATOM 2944 O OG . SER A 1 376 ? -8.893 30.266 0.022 1.00 15.38 ? 457 SER A OG 1 ATOM 2945 N N . TRP A 1 377 ? -11.190 27.958 0.556 1.00 14.88 ? 458 TRP A N 1 ATOM 2946 C CA . TRP A 1 377 ? -11.268 26.501 0.624 1.00 14.61 ? 458 TRP A CA 1 ATOM 2947 C C . TRP A 1 377 ? -10.595 25.895 -0.605 1.00 14.47 ? 458 TRP A C 1 ATOM 2948 O O . TRP A 1 377 ? -11.266 25.382 -1.497 1.00 14.88 ? 458 TRP A O 1 ATOM 2949 C CB . TRP A 1 377 ? -12.738 26.068 0.724 1.00 14.29 ? 458 TRP A CB 1 ATOM 2950 C CG . TRP A 1 377 ? -13.411 26.529 1.980 1.00 14.10 ? 458 TRP A CG 1 ATOM 2951 C CD1 . TRP A 1 377 ? -13.528 25.841 3.148 1.00 14.14 ? 458 TRP A CD1 1 ATOM 2952 C CD2 . TRP A 1 377 ? -14.057 27.789 2.188 1.00 14.00 ? 458 TRP A CD2 1 ATOM 2953 N NE1 . TRP A 1 377 ? -14.213 26.595 4.079 1.00 14.26 ? 458 TRP A NE1 1 ATOM 2954 C CE2 . TRP A 1 377 ? -14.548 27.795 3.510 1.00 14.11 ? 458 TRP A CE2 1 ATOM 2955 C CE3 . TRP A 1 377 ? -14.276 28.913 1.380 1.00 13.92 ? 458 TRP A CE3 1 ATOM 2956 C CZ2 . TRP A 1 377 ? -15.252 28.882 4.043 1.00 14.19 ? 458 TRP A CZ2 1 ATOM 2957 C CZ3 . TRP A 1 377 ? -14.960 29.998 1.918 1.00 13.94 ? 458 TRP A CZ3 1 ATOM 2958 C CH2 . TRP A 1 377 ? -15.442 29.969 3.233 1.00 14.09 ? 458 TRP A CH2 1 ATOM 2959 N N . PRO A 1 378 ? -9.254 25.966 -0.658 1.00 14.63 ? 459 PRO A N 1 ATOM 2960 C CA . PRO A 1 378 ? -8.514 25.480 -1.812 1.00 14.37 ? 459 PRO A CA 1 ATOM 2961 C C . PRO A 1 378 ? -8.326 23.969 -1.768 1.00 14.14 ? 459 PRO A C 1 ATOM 2962 O O . PRO A 1 378 ? -8.767 23.316 -0.826 1.00 14.15 ? 459 PRO A O 1 ATOM 2963 C CB . PRO A 1 378 ? -7.170 26.193 -1.670 1.00 14.68 ? 459 PRO A CB 1 ATOM 2964 C CG . PRO A 1 378 ? -6.979 26.275 -0.199 1.00 14.89 ? 459 PRO A CG 1 ATOM 2965 C CD . PRO A 1 378 ? -8.352 26.536 0.358 1.00 14.79 ? 459 PRO A CD 1 ATOM 2966 N N . ASP A 1 379 ? -7.676 23.410 -2.781 1.00 14.07 ? 460 ASP A N 1 ATOM 2967 C CA . ASP A 1 379 ? -7.429 21.970 -2.803 1.00 13.78 ? 460 ASP A CA 1 ATOM 2968 C C . ASP A 1 379 ? -6.725 21.493 -1.529 1.00 13.95 ? 460 ASP A C 1 ATOM 2969 O O . ASP A 1 379 ? -7.169 20.533 -0.894 1.00 13.76 ? 460 ASP A O 1 ATOM 2970 C CB . ASP A 1 379 ? -6.607 21.579 -4.018 1.00 13.88 ? 460 ASP A CB 1 ATOM 2971 C CG . ASP A 1 379 ? -6.157 20.147 -3.955 1.00 13.81 ? 460 ASP A CG 1 ATOM 2972 O OD1 . ASP A 1 379 ? -7.007 19.255 -4.172 1.00 13.91 ? 460 ASP A OD1 1 ATOM 2973 O OD2 . ASP A 1 379 ? -4.963 19.919 -3.665 1.00 13.88 ? 460 ASP A OD2 1 ATOM 2974 N N . GLY A 1 380 ? -5.628 22.164 -1.170 1.00 13.97 ? 461 GLY A N 1 ATOM 2975 C CA . GLY A 1 380 ? -4.945 21.916 0.102 1.00 14.20 ? 461 GLY A CA 1 ATOM 2976 C C . GLY A 1 380 ? -3.809 20.905 0.104 1.00 14.28 ? 461 GLY A C 1 ATOM 2977 O O . GLY A 1 380 ? -3.150 20.725 1.128 1.00 14.46 ? 461 GLY A O 1 ATOM 2978 N N . ALA A 1 381 ? -3.585 20.220 -1.014 1.00 14.29 ? 462 ALA A N 1 ATOM 2979 C CA . ALA A 1 381 ? -2.473 19.281 -1.096 1.00 14.65 ? 462 ALA A CA 1 ATOM 2980 C C . ALA A 1 381 ? -1.142 20.034 -1.199 1.00 15.14 ? 462 ALA A C 1 ATOM 2981 O O . ALA A 1 381 ? -1.051 21.091 -1.820 1.00 15.34 ? 462 ALA A O 1 ATOM 2982 C CB . ALA A 1 381 ? -2.643 18.343 -2.278 1.00 14.55 ? 462 ALA A CB 1 ATOM 2983 N N . ASN A 1 382 ? -0.128 19.492 -0.549 1.00 15.98 ? 463 ASN A N 1 ATOM 2984 C CA . ASN A 1 382 ? 1.245 19.932 -0.701 1.00 16.66 ? 463 ASN A CA 1 ATOM 2985 C C . ASN A 1 382 ? 1.864 19.155 -1.860 1.00 16.86 ? 463 ASN A C 1 ATOM 2986 O O . ASN A 1 382 ? 2.061 17.951 -1.760 1.00 16.46 ? 463 ASN A O 1 ATOM 2987 C CB . ASN A 1 382 ? 1.999 19.673 0.604 1.00 17.19 ? 463 ASN A CB 1 ATOM 2988 C CG . ASN A 1 382 ? 3.427 20.194 0.580 1.00 17.98 ? 463 ASN A CG 1 ATOM 2989 O OD1 . ASN A 1 382 ? 4.037 20.340 -0.481 1.00 18.08 ? 463 ASN A OD1 1 ATOM 2990 N ND2 . ASN A 1 382 ? 3.971 20.463 1.760 1.00 18.33 ? 463 ASN A ND2 1 ATOM 2991 N N . ILE A 1 383 ? 2.165 19.849 -2.957 1.00 17.34 ? 464 ILE A N 1 ATOM 2992 C CA . ILE A 1 383 ? 2.701 19.202 -4.162 1.00 17.73 ? 464 ILE A CA 1 ATOM 2993 C C . ILE A 1 383 ? 3.966 18.388 -3.865 1.00 18.38 ? 464 ILE A C 1 ATOM 2994 O O . ILE A 1 383 ? 4.223 17.367 -4.507 1.00 18.40 ? 464 ILE A O 1 ATOM 2995 C CB . ILE A 1 383 ? 2.946 20.236 -5.303 1.00 17.88 ? 464 ILE A CB 1 ATOM 2996 C CG1 . ILE A 1 383 ? 2.990 19.535 -6.670 1.00 17.89 ? 464 ILE A CG1 1 ATOM 2997 C CG2 . ILE A 1 383 ? 4.206 21.064 -5.055 1.00 18.32 ? 464 ILE A CG2 1 ATOM 2998 C CD1 . ILE A 1 383 ? 1.659 18.964 -7.118 1.00 17.67 ? 464 ILE A CD1 1 ATOM 2999 N N . ASN A 1 384 ? 4.728 18.817 -2.862 1.00 19.12 ? 465 ASN A N 1 ATOM 3000 C CA . ASN A 1 384 ? 5.966 18.135 -2.484 1.00 20.19 ? 465 ASN A CA 1 ATOM 3001 C C . ASN A 1 384 ? 5.750 16.825 -1.737 1.00 20.13 ? 465 ASN A C 1 ATOM 3002 O O . ASN A 1 384 ? 6.678 16.026 -1.620 1.00 20.26 ? 465 ASN A O 1 ATOM 3003 C CB . ASN A 1 384 ? 6.833 19.069 -1.650 1.00 21.41 ? 465 ASN A CB 1 ATOM 3004 C CG . ASN A 1 384 ? 7.141 20.357 -2.376 1.00 22.53 ? 465 ASN A CG 1 ATOM 3005 O OD1 . ASN A 1 384 ? 6.826 21.449 -1.899 1.00 25.48 ? 465 ASN A OD1 1 ATOM 3006 N ND2 . ASN A 1 384 ? 7.708 20.237 -3.559 1.00 22.82 ? 465 ASN A ND2 1 ATOM 3007 N N . PHE A 1 385 ? 4.534 16.614 -1.234 1.00 19.61 ? 466 PHE A N 1 ATOM 3008 C CA . PHE A 1 385 ? 4.172 15.368 -0.553 1.00 19.71 ? 466 PHE A CA 1 ATOM 3009 C C . PHE A 1 385 ? 3.603 14.313 -1.499 1.00 19.58 ? 466 PHE A C 1 ATOM 3010 O O . PHE A 1 385 ? 3.373 13.180 -1.081 1.00 20.20 ? 466 PHE A O 1 ATOM 3011 C CB . PHE A 1 385 ? 3.120 15.626 0.537 1.00 19.51 ? 466 PHE A CB 1 ATOM 3012 C CG . PHE A 1 385 ? 3.612 16.401 1.731 1.00 19.77 ? 466 PHE A CG 1 ATOM 3013 C CD1 . PHE A 1 385 ? 4.956 16.694 1.926 1.00 20.14 ? 466 PHE A CD1 1 ATOM 3014 C CD2 . PHE A 1 385 ? 2.703 16.799 2.703 1.00 19.75 ? 466 PHE A CD2 1 ATOM 3015 C CE1 . PHE A 1 385 ? 5.370 17.391 3.048 1.00 20.61 ? 466 PHE A CE1 1 ATOM 3016 C CE2 . PHE A 1 385 ? 3.111 17.496 3.819 1.00 20.11 ? 466 PHE A CE2 1 ATOM 3017 C CZ . PHE A 1 385 ? 4.447 17.791 3.996 1.00 20.67 ? 466 PHE A CZ 1 ATOM 3018 N N . MET A 1 386 ? 3.358 14.671 -2.756 1.00 19.16 ? 467 MET A N 1 ATOM 3019 C CA . MET A 1 386 ? 2.629 13.793 -3.663 1.00 18.87 ? 467 MET A CA 1 ATOM 3020 C C . MET A 1 386 ? 3.530 12.774 -4.348 1.00 19.77 ? 467 MET A C 1 ATOM 3021 O O . MET A 1 386 ? 4.675 13.083 -4.667 1.00 20.29 ? 467 MET A O 1 ATOM 3022 C CB . MET A 1 386 ? 1.931 14.615 -4.750 1.00 18.12 ? 467 MET A CB 1 ATOM 3023 C CG . MET A 1 386 ? 0.959 15.672 -4.242 1.00 17.62 ? 467 MET A CG 1 ATOM 3024 S SD . MET A 1 386 ? -0.352 15.024 -3.197 1.00 17.00 ? 467 MET A SD 1 ATOM 3025 C CE . MET A 1 386 ? -1.129 13.836 -4.297 1.00 16.94 ? 467 MET A CE 1 ATOM 3026 N N . PRO A 1 387 ? 3.000 11.563 -4.609 1.00 20.53 ? 468 PRO A N 1 ATOM 3027 C CA . PRO A 1 387 ? 3.648 10.690 -5.585 1.00 21.33 ? 468 PRO A CA 1 ATOM 3028 C C . PRO A 1 387 ? 3.712 11.422 -6.915 1.00 21.71 ? 468 PRO A C 1 ATOM 3029 O O . PRO A 1 387 ? 2.783 12.153 -7.260 1.00 21.29 ? 468 PRO A O 1 ATOM 3030 C CB . PRO A 1 387 ? 2.706 9.475 -5.685 1.00 21.29 ? 468 PRO A CB 1 ATOM 3031 C CG . PRO A 1 387 ? 1.742 9.596 -4.556 1.00 20.91 ? 468 PRO A CG 1 ATOM 3032 C CD . PRO A 1 387 ? 1.696 11.040 -4.167 1.00 20.68 ? 468 PRO A CD 1 ATOM 3033 N N . ILE A 1 388 ? 4.806 11.258 -7.645 1.00 22.58 ? 469 ILE A N 1 ATOM 3034 C CA . ILE A 1 388 ? 5.003 12.018 -8.877 1.00 23.07 ? 469 ILE A CA 1 ATOM 3035 C C . ILE A 1 388 ? 4.367 11.317 -10.081 1.00 22.75 ? 469 ILE A C 1 ATOM 3036 O O . ILE A 1 388 ? 4.029 10.134 -10.012 1.00 23.07 ? 469 ILE A O 1 ATOM 3037 C CB . ILE A 1 388 ? 6.494 12.325 -9.123 1.00 24.25 ? 469 ILE A CB 1 ATOM 3038 C CG1 . ILE A 1 388 ? 7.313 11.047 -9.313 1.00 25.04 ? 469 ILE A CG1 1 ATOM 3039 C CG2 . ILE A 1 388 ? 7.061 13.118 -7.955 1.00 24.70 ? 469 ILE A CG2 1 ATOM 3040 C CD1 . ILE A 1 388 ? 8.694 11.311 -9.869 1.00 26.04 ? 469 ILE A CD1 1 ATOM 3041 O OXT . ILE A 1 388 ? 4.162 11.905 -11.142 1.00 21.91 ? 469 ILE A OXT 1 ATOM 3042 N N . VAL B 1 1 ? -43.202 -8.246 -7.711 1.00 44.45 ? 82 VAL B N 1 ATOM 3043 C CA . VAL B 1 1 ? -42.263 -8.550 -8.836 1.00 43.26 ? 82 VAL B CA 1 ATOM 3044 C C . VAL B 1 1 ? -42.784 -9.728 -9.671 1.00 41.23 ? 82 VAL B C 1 ATOM 3045 O O . VAL B 1 1 ? -43.241 -10.732 -9.127 1.00 41.97 ? 82 VAL B O 1 ATOM 3046 C CB . VAL B 1 1 ? -40.821 -8.829 -8.334 1.00 44.55 ? 82 VAL B CB 1 ATOM 3047 C CG1 . VAL B 1 1 ? -40.086 -7.521 -8.049 1.00 44.82 ? 82 VAL B CG1 1 ATOM 3048 C CG2 . VAL B 1 1 ? -40.825 -9.725 -7.098 1.00 44.97 ? 82 VAL B CG2 1 ATOM 3049 N N . GLU B 1 2 ? -42.717 -9.581 -10.992 1.00 38.03 ? 83 GLU B N 1 ATOM 3050 C CA . GLU B 1 2 ? -43.278 -10.547 -11.936 1.00 36.03 ? 83 GLU B CA 1 ATOM 3051 C C . GLU B 1 2 ? -42.140 -11.266 -12.658 1.00 31.64 ? 83 GLU B C 1 ATOM 3052 O O . GLU B 1 2 ? -41.051 -10.708 -12.808 1.00 29.56 ? 83 GLU B O 1 ATOM 3053 C CB . GLU B 1 2 ? -44.145 -9.804 -12.956 1.00 38.61 ? 83 GLU B CB 1 ATOM 3054 C CG . GLU B 1 2 ? -45.311 -10.600 -13.527 1.00 41.32 ? 83 GLU B CG 1 ATOM 3055 C CD . GLU B 1 2 ? -46.468 -10.766 -12.554 1.00 43.67 ? 83 GLU B CD 1 ATOM 3056 O OE1 . GLU B 1 2 ? -46.516 -10.044 -11.532 1.00 45.80 ? 83 GLU B OE1 1 ATOM 3057 O OE2 . GLU B 1 2 ? -47.344 -11.622 -12.818 1.00 45.46 ? 83 GLU B OE2 1 ATOM 3058 N N . TYR B 1 3 ? -42.385 -12.498 -13.101 1.00 27.93 ? 84 TYR B N 1 ATOM 3059 C CA . TYR B 1 3 ? -41.391 -13.214 -13.902 1.00 25.79 ? 84 TYR B CA 1 ATOM 3060 C C . TYR B 1 3 ? -41.206 -12.521 -15.247 1.00 24.55 ? 84 TYR B C 1 ATOM 3061 O O . TYR B 1 3 ? -42.175 -12.060 -15.849 1.00 23.94 ? 84 TYR B O 1 ATOM 3062 C CB . TYR B 1 3 ? -41.804 -14.667 -14.164 1.00 25.44 ? 84 TYR B CB 1 ATOM 3063 C CG . TYR B 1 3 ? -41.679 -15.608 -12.985 1.00 25.15 ? 84 TYR B CG 1 ATOM 3064 C CD1 . TYR B 1 3 ? -40.504 -15.685 -12.241 1.00 24.54 ? 84 TYR B CD1 1 ATOM 3065 C CD2 . TYR B 1 3 ? -42.730 -16.455 -12.637 1.00 25.34 ? 84 TYR B CD2 1 ATOM 3066 C CE1 . TYR B 1 3 ? -40.389 -16.558 -11.172 1.00 24.56 ? 84 TYR B CE1 1 ATOM 3067 C CE2 . TYR B 1 3 ? -42.623 -17.332 -11.570 1.00 25.32 ? 84 TYR B CE2 1 ATOM 3068 C CZ . TYR B 1 3 ? -41.449 -17.381 -10.842 1.00 24.96 ? 84 TYR B CZ 1 ATOM 3069 O OH . TYR B 1 3 ? -41.341 -18.253 -9.782 1.00 24.85 ? 84 TYR B OH 1 ATOM 3070 N N . ARG B 1 4 ? -39.961 -12.457 -15.709 1.00 22.97 ? 85 ARG B N 1 ATOM 3071 C CA . ARG B 1 4 ? -39.651 -12.002 -17.062 1.00 22.58 ? 85 ARG B CA 1 ATOM 3072 C C . ARG B 1 4 ? -40.148 -12.999 -18.093 1.00 22.80 ? 85 ARG B C 1 ATOM 3073 O O . ARG B 1 4 ? -40.008 -14.206 -17.911 1.00 22.54 ? 85 ARG B O 1 ATOM 3074 C CB . ARG B 1 4 ? -38.141 -11.878 -17.251 1.00 21.88 ? 85 ARG B CB 1 ATOM 3075 C CG . ARG B 1 4 ? -37.520 -10.641 -16.643 1.00 21.52 ? 85 ARG B CG 1 ATOM 3076 C CD . ARG B 1 4 ? -36.010 -10.828 -16.517 1.00 20.69 ? 85 ARG B CD 1 ATOM 3077 N NE . ARG B 1 4 ? -35.267 -9.591 -16.725 1.00 20.40 ? 85 ARG B NE 1 ATOM 3078 C CZ . ARG B 1 4 ? -33.945 -9.477 -16.597 1.00 20.06 ? 85 ARG B CZ 1 ATOM 3079 N NH1 . ARG B 1 4 ? -33.201 -10.520 -16.242 1.00 19.23 ? 85 ARG B NH1 1 ATOM 3080 N NH2 . ARG B 1 4 ? -33.364 -8.304 -16.824 1.00 20.56 ? 85 ARG B NH2 1 ATOM 3081 N N . ASN B 1 5 ? -40.712 -12.489 -19.182 1.00 23.39 ? 86 ASN B N 1 ATOM 3082 C CA . ASN B 1 5 ? -41.060 -13.328 -20.328 1.00 24.19 ? 86 ASN B CA 1 ATOM 3083 C C . ASN B 1 5 ? -40.283 -12.979 -21.589 1.00 23.10 ? 86 ASN B C 1 ATOM 3084 O O . ASN B 1 5 ? -40.262 -13.768 -22.528 1.00 23.01 ? 86 ASN B O 1 ATOM 3085 C CB . ASN B 1 5 ? -42.558 -13.242 -20.609 1.00 26.18 ? 86 ASN B CB 1 ATOM 3086 C CG . ASN B 1 5 ? -43.385 -13.928 -19.543 1.00 28.41 ? 86 ASN B CG 1 ATOM 3087 O OD1 . ASN B 1 5 ? -42.978 -14.946 -18.977 1.00 30.32 ? 86 ASN B OD1 1 ATOM 3088 N ND2 . ASN B 1 5 ? -44.559 -13.377 -19.264 1.00 29.93 ? 86 ASN B ND2 1 ATOM 3089 N N . TRP B 1 6 ? -39.653 -11.804 -21.609 1.00 21.85 ? 87 TRP B N 1 ATOM 3090 C CA . TRP B 1 6 ? -38.943 -11.315 -22.787 1.00 21.38 ? 87 TRP B CA 1 ATOM 3091 C C . TRP B 1 6 ? -39.831 -11.333 -24.038 1.00 21.95 ? 87 TRP B C 1 ATOM 3092 O O . TRP B 1 6 ? -39.342 -11.536 -25.149 1.00 21.87 ? 87 TRP B O 1 ATOM 3093 C CB . TRP B 1 6 ? -37.678 -12.142 -23.035 1.00 20.60 ? 87 TRP B CB 1 ATOM 3094 C CG . TRP B 1 6 ? -36.739 -12.212 -21.870 1.00 19.73 ? 87 TRP B CG 1 ATOM 3095 C CD1 . TRP B 1 6 ? -36.655 -13.208 -20.950 1.00 19.65 ? 87 TRP B CD1 1 ATOM 3096 C CD2 . TRP B 1 6 ? -35.738 -11.249 -21.514 1.00 19.37 ? 87 TRP B CD2 1 ATOM 3097 N NE1 . TRP B 1 6 ? -35.660 -12.930 -20.034 1.00 19.42 ? 87 TRP B NE1 1 ATOM 3098 C CE2 . TRP B 1 6 ? -35.087 -11.730 -20.356 1.00 19.12 ? 87 TRP B CE2 1 ATOM 3099 C CE3 . TRP B 1 6 ? -35.326 -10.031 -22.065 1.00 19.27 ? 87 TRP B CE3 1 ATOM 3100 C CZ2 . TRP B 1 6 ? -34.043 -11.033 -19.738 1.00 18.68 ? 87 TRP B CZ2 1 ATOM 3101 C CZ3 . TRP B 1 6 ? -34.295 -9.335 -21.449 1.00 18.90 ? 87 TRP B CZ3 1 ATOM 3102 C CH2 . TRP B 1 6 ? -33.662 -9.841 -20.298 1.00 18.80 ? 87 TRP B CH2 1 ATOM 3103 N N . SER B 1 7 ? -41.129 -11.100 -23.858 1.00 22.69 ? 88 SER B N 1 ATOM 3104 C CA . SER B 1 7 ? -42.091 -11.223 -24.956 1.00 23.89 ? 88 SER B CA 1 ATOM 3105 C C . SER B 1 7 ? -42.275 -9.894 -25.683 1.00 24.36 ? 88 SER B C 1 ATOM 3106 O O . SER B 1 7 ? -43.397 -9.399 -25.824 1.00 25.73 ? 88 SER B O 1 ATOM 3107 C CB . SER B 1 7 ? -43.433 -11.721 -24.425 1.00 24.41 ? 88 SER B CB 1 ATOM 3108 O OG . SER B 1 7 ? -43.879 -10.889 -23.371 1.00 25.18 ? 88 SER B OG 1 ATOM 3109 N N . LYS B 1 8 ? -41.160 -9.317 -26.117 1.00 23.59 ? 89 LYS B N 1 ATOM 3110 C CA . LYS B 1 8 ? -41.146 -8.120 -26.948 1.00 23.46 ? 89 LYS B CA 1 ATOM 3111 C C . LYS B 1 8 ? -40.271 -8.414 -28.158 1.00 22.82 ? 89 LYS B C 1 ATOM 3112 O O . LYS B 1 8 ? -39.415 -9.299 -28.101 1.00 22.23 ? 89 LYS B O 1 ATOM 3113 C CB . LYS B 1 8 ? -40.578 -6.925 -26.177 1.00 23.39 ? 89 LYS B CB 1 ATOM 3114 C CG . LYS B 1 8 ? -41.508 -6.370 -25.115 1.00 23.77 ? 89 LYS B CG 1 ATOM 3115 C CD . LYS B 1 8 ? -40.829 -5.298 -24.282 1.00 23.48 ? 89 LYS B CD 1 ATOM 3116 C CE . LYS B 1 8 ? -41.737 -4.818 -23.158 1.00 23.75 ? 89 LYS B CE 1 ATOM 3117 N NZ . LYS B 1 8 ? -41.073 -3.843 -22.247 1.00 23.33 ? 89 LYS B NZ 1 ATOM 3118 N N . PRO B 1 9 ? -40.484 -7.683 -29.262 1.00 23.01 ? 90 PRO B N 1 ATOM 3119 C CA . PRO B 1 9 ? -39.631 -7.894 -30.425 1.00 22.64 ? 90 PRO B CA 1 ATOM 3120 C C . PRO B 1 9 ? -38.190 -7.474 -30.145 1.00 21.86 ? 90 PRO B C 1 ATOM 3121 O O . PRO B 1 9 ? -37.938 -6.675 -29.245 1.00 20.83 ? 90 PRO B O 1 ATOM 3122 C CB . PRO B 1 9 ? -40.266 -7.004 -31.504 1.00 23.47 ? 90 PRO B CB 1 ATOM 3123 C CG . PRO B 1 9 ? -41.053 -5.984 -30.755 1.00 23.81 ? 90 PRO B CG 1 ATOM 3124 C CD . PRO B 1 9 ? -41.522 -6.664 -29.505 1.00 23.68 ? 90 PRO B CD 1 ATOM 3125 N N . GLN B 1 10 ? -37.261 -8.035 -30.905 1.00 21.34 ? 91 GLN B N 1 ATOM 3126 C CA . GLN B 1 10 ? -35.871 -7.625 -30.841 1.00 21.23 ? 91 GLN B CA 1 ATOM 3127 C C . GLN B 1 10 ? -35.755 -6.206 -31.384 1.00 21.65 ? 91 GLN B C 1 ATOM 3128 O O . GLN B 1 10 ? -36.377 -5.878 -32.398 1.00 21.17 ? 91 GLN B O 1 ATOM 3129 C CB . GLN B 1 10 ? -35.018 -8.584 -31.663 1.00 20.77 ? 91 GLN B CB 1 ATOM 3130 C CG . GLN B 1 10 ? -33.529 -8.306 -31.641 1.00 20.22 ? 91 GLN B CG 1 ATOM 3131 C CD . GLN B 1 10 ? -32.758 -9.411 -32.326 1.00 19.96 ? 91 GLN B CD 1 ATOM 3132 O OE1 . GLN B 1 10 ? -32.384 -10.401 -31.700 1.00 19.48 ? 91 GLN B OE1 1 ATOM 3133 N NE2 . GLN B 1 10 ? -32.539 -9.259 -33.630 1.00 19.95 ? 91 GLN B NE2 1 ATOM 3134 N N . CYS B 1 11 ? -34.982 -5.361 -30.703 1.00 21.92 ? 92 CYS B N 1 ATOM 3135 C CA . CYS B 1 11 ? -34.744 -4.003 -31.187 1.00 22.99 ? 92 CYS B CA 1 ATOM 3136 C C . CYS B 1 11 ? -34.067 -4.074 -32.548 1.00 23.65 ? 92 CYS B C 1 ATOM 3137 O O . CYS B 1 11 ? -33.172 -4.890 -32.764 1.00 22.82 ? 92 CYS B O 1 ATOM 3138 C CB . CYS B 1 11 ? -33.862 -3.206 -30.217 1.00 23.40 ? 92 CYS B CB 1 ATOM 3139 S SG . CYS B 1 11 ? -34.527 -3.001 -28.543 1.00 24.01 ? 92 CYS B SG 1 ATOM 3140 N N . GLN B 1 12 ? -34.492 -3.230 -33.477 1.00 25.63 ? 93 GLN B N 1 ATOM 3141 C CA . GLN B 1 12 ? -33.815 -3.174 -34.763 1.00 27.40 ? 93 GLN B CA 1 ATOM 3142 C C . GLN B 1 12 ? -32.583 -2.308 -34.539 1.00 27.00 ? 93 GLN B C 1 ATOM 3143 O O . GLN B 1 12 ? -32.688 -1.210 -33.994 1.00 30.18 ? 93 GLN B O 1 ATOM 3144 C CB . GLN B 1 12 ? -34.741 -2.635 -35.863 1.00 29.86 ? 93 GLN B CB 1 ATOM 3145 C CG . GLN B 1 12 ? -35.935 -3.547 -36.160 1.00 31.21 ? 93 GLN B CG 1 ATOM 3146 C CD . GLN B 1 12 ? -35.527 -4.978 -36.496 1.00 32.45 ? 93 GLN B CD 1 ATOM 3147 O OE1 . GLN B 1 12 ? -35.645 -5.886 -35.664 1.00 34.43 ? 93 GLN B OE1 1 ATOM 3148 N NE2 . GLN B 1 12 ? -35.031 -5.185 -37.712 1.00 33.03 ? 93 GLN B NE2 1 ATOM 3149 N N . ILE B 1 13 ? -31.409 -2.830 -34.881 1.00 24.96 ? 94 ILE B N 1 ATOM 3150 C CA . ILE B 1 13 ? -30.169 -2.112 -34.618 1.00 23.96 ? 94 ILE B CA 1 ATOM 3151 C C . ILE B 1 13 ? -29.376 -1.807 -35.887 1.00 22.25 ? 94 ILE B C 1 ATOM 3152 O O . ILE B 1 13 ? -29.494 -2.500 -36.901 1.00 21.35 ? 94 ILE B O 1 ATOM 3153 C CB . ILE B 1 13 ? -29.265 -2.855 -33.611 1.00 24.42 ? 94 ILE B CB 1 ATOM 3154 C CG1 . ILE B 1 13 ? -28.636 -4.100 -34.238 1.00 24.22 ? 94 ILE B CG1 1 ATOM 3155 C CG2 . ILE B 1 13 ? -30.044 -3.211 -32.342 1.00 24.80 ? 94 ILE B CG2 1 ATOM 3156 C CD1 . ILE B 1 13 ? -27.338 -4.487 -33.569 1.00 24.27 ? 94 ILE B CD1 1 ATOM 3157 N N . THR B 1 14 ? -28.579 -0.749 -35.798 1.00 20.53 ? 95 THR B N 1 ATOM 3158 C CA . THR B 1 14 ? -27.726 -0.288 -36.885 1.00 19.83 ? 95 THR B CA 1 ATOM 3159 C C . THR B 1 14 ? -26.264 -0.583 -36.580 1.00 18.45 ? 95 THR B C 1 ATOM 3160 O O . THR B 1 14 ? -25.389 -0.327 -37.403 1.00 17.67 ? 95 THR B O 1 ATOM 3161 C CB . THR B 1 14 ? -27.850 1.228 -37.046 1.00 20.29 ? 95 THR B CB 1 ATOM 3162 O OG1 . THR B 1 14 ? -27.459 1.858 -35.818 1.00 20.45 ? 95 THR B OG1 1 ATOM 3163 C CG2 . THR B 1 14 ? -29.286 1.615 -37.381 1.00 20.84 ? 95 THR B CG2 1 ATOM 3164 N N . GLY B 1 15 ? -26.022 -1.126 -35.388 1.00 17.27 ? 96 GLY B N 1 ATOM 3165 C CA . GLY B 1 15 ? -24.691 -1.352 -34.867 1.00 16.45 ? 96 GLY B CA 1 ATOM 3166 C C . GLY B 1 15 ? -24.733 -1.237 -33.351 1.00 15.91 ? 96 GLY B C 1 ATOM 3167 O O . GLY B 1 15 ? -25.790 -1.435 -32.736 1.00 15.59 ? 96 GLY B O 1 ATOM 3168 N N . PHE B 1 16 ? -23.589 -0.900 -32.758 1.00 15.28 ? 97 PHE B N 1 ATOM 3169 C CA . PHE B 1 16 ? -23.430 -0.905 -31.305 1.00 14.95 ? 97 PHE B CA 1 ATOM 3170 C C . PHE B 1 16 ? -22.779 0.379 -30.800 1.00 14.95 ? 97 PHE B C 1 ATOM 3171 O O . PHE B 1 16 ? -21.931 0.967 -31.475 1.00 14.97 ? 97 PHE B O 1 ATOM 3172 C CB . PHE B 1 16 ? -22.608 -2.127 -30.876 1.00 14.79 ? 97 PHE B CB 1 ATOM 3173 C CG . PHE B 1 16 ? -23.186 -3.430 -31.348 1.00 14.72 ? 97 PHE B CG 1 ATOM 3174 C CD1 . PHE B 1 16 ? -24.137 -4.092 -30.591 1.00 14.94 ? 97 PHE B CD1 1 ATOM 3175 C CD2 . PHE B 1 16 ? -22.807 -3.972 -32.573 1.00 14.89 ? 97 PHE B CD2 1 ATOM 3176 C CE1 . PHE B 1 16 ? -24.693 -5.284 -31.029 1.00 14.97 ? 97 PHE B CE1 1 ATOM 3177 C CE2 . PHE B 1 16 ? -23.357 -5.165 -33.020 1.00 15.01 ? 97 PHE B CE2 1 ATOM 3178 C CZ . PHE B 1 16 ? -24.305 -5.820 -32.245 1.00 15.08 ? 97 PHE B CZ 1 ATOM 3179 N N . ALA B 1 17 ? -23.190 0.809 -29.612 1.00 14.61 ? 98 ALA B N 1 ATOM 3180 C CA . ALA B 1 17 ? -22.637 2.008 -28.992 1.00 14.44 ? 98 ALA B CA 1 ATOM 3181 C C . ALA B 1 17 ? -21.935 1.652 -27.677 1.00 14.08 ? 98 ALA B C 1 ATOM 3182 O O . ALA B 1 17 ? -22.317 0.692 -27.004 1.00 13.38 ? 98 ALA B O 1 ATOM 3183 C CB . ALA B 1 17 ? -23.736 3.037 -28.755 1.00 14.49 ? 98 ALA B CB 1 ATOM 3184 N N . PRO B 1 18 ? -20.889 2.416 -27.315 1.00 14.03 ? 99 PRO B N 1 ATOM 3185 C CA . PRO B 1 18 ? -20.164 2.152 -26.070 1.00 14.00 ? 99 PRO B CA 1 ATOM 3186 C C . PRO B 1 18 ? -21.070 2.194 -24.842 1.00 14.07 ? 99 PRO B C 1 ATOM 3187 O O . PRO B 1 18 ? -21.914 3.086 -24.734 1.00 14.15 ? 99 PRO B O 1 ATOM 3188 C CB . PRO B 1 18 ? -19.143 3.299 -26.008 1.00 14.13 ? 99 PRO B CB 1 ATOM 3189 C CG . PRO B 1 18 ? -18.980 3.748 -27.412 1.00 14.24 ? 99 PRO B CG 1 ATOM 3190 C CD . PRO B 1 18 ? -20.321 3.561 -28.050 1.00 14.32 ? 99 PRO B CD 1 ATOM 3191 N N . PHE B 1 19 ? -20.876 1.257 -23.919 1.00 13.99 ? 100 PHE B N 1 ATOM 3192 C CA . PHE B 1 19 ? -21.741 1.145 -22.737 1.00 14.17 ? 100 PHE B CA 1 ATOM 3193 C C . PHE B 1 19 ? -20.969 1.177 -21.422 1.00 13.88 ? 100 PHE B C 1 ATOM 3194 O O . PHE B 1 19 ? -21.360 1.898 -20.501 1.00 13.98 ? 100 PHE B O 1 ATOM 3195 C CB . PHE B 1 19 ? -22.611 -0.120 -22.841 1.00 14.31 ? 100 PHE B CB 1 ATOM 3196 C CG . PHE B 1 19 ? -23.702 -0.220 -21.793 1.00 14.61 ? 100 PHE B CG 1 ATOM 3197 C CD1 . PHE B 1 19 ? -24.583 0.832 -21.569 1.00 15.13 ? 100 PHE B CD1 1 ATOM 3198 C CD2 . PHE B 1 19 ? -23.869 -1.388 -21.058 1.00 14.53 ? 100 PHE B CD2 1 ATOM 3199 C CE1 . PHE B 1 19 ? -25.592 0.728 -20.618 1.00 15.40 ? 100 PHE B CE1 1 ATOM 3200 C CE2 . PHE B 1 19 ? -24.879 -1.502 -20.109 1.00 14.95 ? 100 PHE B CE2 1 ATOM 3201 C CZ . PHE B 1 19 ? -25.742 -0.443 -19.889 1.00 15.16 ? 100 PHE B CZ 1 ATOM 3202 N N . SER B 1 20 ? -19.884 0.407 -21.324 1.00 13.64 ? 101 SER B N 1 ATOM 3203 C CA . SER B 1 20 ? -19.112 0.321 -20.080 1.00 13.53 ? 101 SER B CA 1 ATOM 3204 C C . SER B 1 20 ? -17.682 -0.160 -20.325 1.00 13.50 ? 101 SER B C 1 ATOM 3205 O O . SER B 1 20 ? -17.403 -0.832 -21.322 1.00 13.34 ? 101 SER B O 1 ATOM 3206 C CB . SER B 1 20 ? -19.813 -0.625 -19.094 1.00 13.48 ? 101 SER B CB 1 ATOM 3207 O OG . SER B 1 20 ? -19.218 -0.579 -17.801 1.00 13.53 ? 101 SER B OG 1 ATOM 3208 N N . LYS B 1 21 ? -16.797 0.190 -19.395 1.00 13.56 ? 102 LYS B N 1 ATOM 3209 C CA . LYS B 1 21 ? -15.401 -0.250 -19.395 1.00 13.72 ? 102 LYS B CA 1 ATOM 3210 C C . LYS B 1 21 ? -14.936 -0.190 -17.950 1.00 13.95 ? 102 LYS B C 1 ATOM 3211 O O . LYS B 1 21 ? -15.245 0.783 -17.265 1.00 14.10 ? 102 LYS B O 1 ATOM 3212 C CB . LYS B 1 21 ? -14.552 0.689 -20.249 1.00 13.69 ? 102 LYS B CB 1 ATOM 3213 C CG . LYS B 1 21 ? -13.165 0.175 -20.578 1.00 13.63 ? 102 LYS B CG 1 ATOM 3214 C CD . LYS B 1 21 ? -12.386 1.230 -21.344 1.00 13.79 ? 102 LYS B CD 1 ATOM 3215 C CE . LYS B 1 21 ? -11.141 0.648 -21.978 1.00 13.75 ? 102 LYS B CE 1 ATOM 3216 N NZ . LYS B 1 21 ? -10.193 0.140 -20.948 1.00 13.78 ? 102 LYS B NZ 1 ATOM 3217 N N . ASP B 1 22 ? -14.218 -1.202 -17.465 1.00 14.18 ? 103 ASP B N 1 ATOM 3218 C CA . ASP B 1 22 ? -13.843 -1.186 -16.045 1.00 14.56 ? 103 ASP B CA 1 ATOM 3219 C C . ASP B 1 22 ? -12.369 -0.871 -15.733 1.00 13.95 ? 103 ASP B C 1 ATOM 3220 O O . ASP B 1 22 ? -12.053 -0.569 -14.587 1.00 13.51 ? 103 ASP B O 1 ATOM 3221 C CB . ASP B 1 22 ? -14.328 -2.451 -15.312 1.00 15.50 ? 103 ASP B CB 1 ATOM 3222 C CG . ASP B 1 22 ? -13.503 -3.684 -15.616 1.00 16.37 ? 103 ASP B CG 1 ATOM 3223 O OD1 . ASP B 1 22 ? -12.682 -3.668 -16.556 1.00 17.09 ? 103 ASP B OD1 1 ATOM 3224 O OD2 . ASP B 1 22 ? -13.698 -4.696 -14.898 1.00 17.98 ? 103 ASP B OD2 1 ATOM 3225 N N . ASN B 1 23 ? -11.489 -0.909 -16.732 1.00 13.57 ? 104 ASN B N 1 ATOM 3226 C CA . ASN B 1 23 ? -10.079 -0.489 -16.546 1.00 13.58 ? 104 ASN B CA 1 ATOM 3227 C C . ASN B 1 23 ? -9.339 -1.261 -15.444 1.00 13.65 ? 104 ASN B C 1 ATOM 3228 O O . ASN B 1 23 ? -8.397 -0.746 -14.814 1.00 13.49 ? 104 ASN B O 1 ATOM 3229 C CB . ASN B 1 23 ? -10.000 1.015 -16.265 1.00 13.57 ? 104 ASN B CB 1 ATOM 3230 C CG . ASN B 1 23 ? -10.416 1.854 -17.452 1.00 13.55 ? 104 ASN B CG 1 ATOM 3231 O OD1 . ASN B 1 23 ? -9.807 1.779 -18.519 1.00 13.76 ? 104 ASN B OD1 1 ATOM 3232 N ND2 . ASN B 1 23 ? -11.456 2.670 -17.271 1.00 13.41 ? 104 ASN B ND2 1 ATOM 3233 N N . SER B 1 24 ? -9.754 -2.506 -15.242 1.00 13.69 ? 105 SER B N 1 ATOM 3234 C CA . SER B 1 24 ? -9.267 -3.350 -14.145 1.00 14.30 ? 105 SER B CA 1 ATOM 3235 C C . SER B 1 24 ? -7.742 -3.448 -14.021 1.00 13.85 ? 105 SER B C 1 ATOM 3236 O O . SER B 1 24 ? -7.191 -3.336 -12.917 1.00 13.56 ? 105 SER B O 1 ATOM 3237 C CB . SER B 1 24 ? -9.843 -4.763 -14.302 1.00 14.82 ? 105 SER B CB 1 ATOM 3238 O OG . SER B 1 24 ? -9.685 -5.476 -13.094 1.00 16.99 ? 105 SER B OG 1 ATOM 3239 N N . ILE B 1 25 ? -7.062 -3.662 -15.145 1.00 13.24 ? 106 ILE B N 1 ATOM 3240 C CA . ILE B 1 25 ? -5.614 -3.911 -15.115 1.00 13.11 ? 106 ILE B CA 1 ATOM 3241 C C . ILE B 1 25 ? -4.852 -2.614 -14.842 1.00 13.26 ? 106 ILE B C 1 ATOM 3242 O O . ILE B 1 25 ? -3.930 -2.606 -14.036 1.00 13.11 ? 106 ILE B O 1 ATOM 3243 C CB . ILE B 1 25 ? -5.107 -4.600 -16.407 1.00 12.97 ? 106 ILE B CB 1 ATOM 3244 C CG1 . ILE B 1 25 ? -5.894 -5.889 -16.680 1.00 12.87 ? 106 ILE B CG1 1 ATOM 3245 C CG2 . ILE B 1 25 ? -3.615 -4.919 -16.310 1.00 13.10 ? 106 ILE B CG2 1 ATOM 3246 C CD1 . ILE B 1 25 ? -5.992 -6.844 -15.503 1.00 12.94 ? 106 ILE B CD1 1 ATOM 3247 N N . ARG B 1 26 ? -5.249 -1.517 -15.486 1.00 13.12 ? 107 ARG B N 1 ATOM 3248 C CA . ARG B 1 26 ? -4.644 -0.206 -15.195 1.00 13.22 ? 107 ARG B CA 1 ATOM 3249 C C . ARG B 1 26 ? -4.778 0.122 -13.707 1.00 13.19 ? 107 ARG B C 1 ATOM 3250 O O . ARG B 1 26 ? -3.828 0.575 -13.078 1.00 13.21 ? 107 ARG B O 1 ATOM 3251 C CB . ARG B 1 26 ? -5.297 0.894 -16.033 1.00 13.26 ? 107 ARG B CB 1 ATOM 3252 C CG . ARG B 1 26 ? -4.978 0.840 -17.517 1.00 13.36 ? 107 ARG B CG 1 ATOM 3253 C CD . ARG B 1 26 ? -5.864 1.781 -18.328 1.00 13.51 ? 107 ARG B CD 1 ATOM 3254 N NE . ARG B 1 26 ? -5.708 3.189 -17.959 1.00 13.75 ? 107 ARG B NE 1 ATOM 3255 C CZ . ARG B 1 26 ? -4.836 4.042 -18.496 1.00 14.26 ? 107 ARG B CZ 1 ATOM 3256 N NH1 . ARG B 1 26 ? -4.811 5.298 -18.069 1.00 14.54 ? 107 ARG B NH1 1 ATOM 3257 N NH2 . ARG B 1 26 ? -3.991 3.667 -19.456 1.00 14.38 ? 107 ARG B NH2 1 ATOM 3258 N N . LEU B 1 27 ? -5.964 -0.123 -13.148 1.00 13.14 ? 108 LEU B N 1 ATOM 3259 C CA . LEU B 1 27 ? -6.207 0.119 -11.723 1.00 13.31 ? 108 LEU B CA 1 ATOM 3260 C C . LEU B 1 27 ? -5.385 -0.797 -10.813 1.00 13.62 ? 108 LEU B C 1 ATOM 3261 O O . LEU B 1 27 ? -4.953 -0.374 -9.732 1.00 13.47 ? 108 LEU B O 1 ATOM 3262 C CB . LEU B 1 27 ? -7.693 -0.041 -11.403 1.00 13.23 ? 108 LEU B CB 1 ATOM 3263 C CG . LEU B 1 27 ? -8.621 1.003 -12.026 1.00 13.17 ? 108 LEU B CG 1 ATOM 3264 C CD1 . LEU B 1 27 ? -10.080 0.611 -11.815 1.00 13.13 ? 108 LEU B CD1 1 ATOM 3265 C CD2 . LEU B 1 27 ? -8.367 2.385 -11.451 1.00 13.51 ? 108 LEU B CD2 1 ATOM 3266 N N . SER B 1 28 ? -5.171 -2.038 -11.254 1.00 13.85 ? 109 SER B N 1 ATOM 3267 C CA . SER B 1 28 ? -4.415 -3.037 -10.482 1.00 14.41 ? 109 SER B CA 1 ATOM 3268 C C . SER B 1 28 ? -2.974 -2.618 -10.203 1.00 14.74 ? 109 SER B C 1 ATOM 3269 O O . SER B 1 28 ? -2.331 -3.169 -9.300 1.00 14.97 ? 109 SER B O 1 ATOM 3270 C CB . SER B 1 28 ? -4.379 -4.381 -11.217 1.00 14.40 ? 109 SER B CB 1 ATOM 3271 O OG . SER B 1 28 ? -5.675 -4.945 -11.359 1.00 14.72 ? 109 SER B OG 1 ATOM 3272 N N . ALA B 1 29 ? -2.459 -1.681 -10.997 1.00 15.06 ? 110 ALA B N 1 ATOM 3273 C CA . ALA B 1 29 ? -1.107 -1.152 -10.798 1.00 15.48 ? 110 ALA B CA 1 ATOM 3274 C C . ALA B 1 29 ? -1.038 -0.091 -9.693 1.00 15.94 ? 110 ALA B C 1 ATOM 3275 O O . ALA B 1 29 ? 0.046 0.396 -9.371 1.00 16.54 ? 110 ALA B O 1 ATOM 3276 C CB . ALA B 1 29 ? -0.565 -0.579 -12.104 1.00 15.58 ? 110 ALA B CB 1 ATOM 3277 N N . GLY B 1 30 ? -2.184 0.298 -9.144 1.00 15.72 ? 111 GLY B N 1 ATOM 3278 C CA . GLY B 1 30 ? -2.229 1.254 -8.038 1.00 16.07 ? 111 GLY B CA 1 ATOM 3279 C C . GLY B 1 30 ? -3.500 1.075 -7.233 1.00 16.14 ? 111 GLY B C 1 ATOM 3280 O O . GLY B 1 30 ? -4.306 2.004 -7.093 1.00 16.46 ? 111 GLY B O 1 ATOM 3281 N N . GLY B 1 31 ? -3.677 -0.132 -6.714 1.00 15.99 ? 112 GLY B N 1 ATOM 3282 C CA . GLY B 1 31 ? -4.899 -0.505 -6.017 1.00 15.75 ? 112 GLY B CA 1 ATOM 3283 C C . GLY B 1 31 ? -5.007 -2.010 -5.884 1.00 15.65 ? 112 GLY B C 1 ATOM 3284 O O . GLY B 1 31 ? -4.381 -2.758 -6.640 1.00 15.54 ? 112 GLY B O 1 ATOM 3285 N N . ASP B 1 32 ? -5.798 -2.456 -4.917 1.00 15.36 ? 113 ASP B N 1 ATOM 3286 C CA . ASP B 1 32 ? -5.997 -3.884 -4.696 1.00 15.19 ? 113 ASP B CA 1 ATOM 3287 C C . ASP B 1 32 ? -7.210 -4.350 -5.481 1.00 14.61 ? 113 ASP B C 1 ATOM 3288 O O . ASP B 1 32 ? -8.351 -4.059 -5.122 1.00 14.79 ? 113 ASP B O 1 ATOM 3289 C CB . ASP B 1 32 ? -6.130 -4.161 -3.202 1.00 15.46 ? 113 ASP B CB 1 ATOM 3290 C CG . ASP B 1 32 ? -4.945 -3.624 -2.416 1.00 16.12 ? 113 ASP B CG 1 ATOM 3291 O OD1 . ASP B 1 32 ? -3.795 -3.903 -2.805 1.00 16.40 ? 113 ASP B OD1 1 ATOM 3292 O OD2 . ASP B 1 32 ? -5.160 -2.904 -1.427 1.00 16.90 ? 113 ASP B OD2 1 ATOM 3293 N N . ILE B 1 33 ? -6.944 -5.072 -6.566 1.00 14.03 ? 114 ILE B N 1 ATOM 3294 C CA . ILE B 1 33 ? -7.972 -5.488 -7.519 1.00 13.63 ? 114 ILE B CA 1 ATOM 3295 C C . ILE B 1 33 ? -7.842 -6.987 -7.773 1.00 13.29 ? 114 ILE B C 1 ATOM 3296 O O . ILE B 1 33 ? -6.729 -7.496 -7.929 1.00 13.34 ? 114 ILE B O 1 ATOM 3297 C CB . ILE B 1 33 ? -7.794 -4.727 -8.852 1.00 13.63 ? 114 ILE B CB 1 ATOM 3298 C CG1 . ILE B 1 33 ? -7.982 -3.212 -8.649 1.00 13.80 ? 114 ILE B CG1 1 ATOM 3299 C CG2 . ILE B 1 33 ? -8.725 -5.267 -9.929 1.00 13.57 ? 114 ILE B CG2 1 ATOM 3300 C CD1 . ILE B 1 33 ? -9.410 -2.770 -8.385 1.00 13.81 ? 114 ILE B CD1 1 ATOM 3301 N N . TRP B 1 34 ? -8.979 -7.680 -7.812 1.00 12.84 ? 115 TRP B N 1 ATOM 3302 C CA . TRP B 1 34 ? -9.021 -9.121 -8.035 1.00 12.67 ? 115 TRP B CA 1 ATOM 3303 C C . TRP B 1 34 ? -8.382 -9.533 -9.362 1.00 12.59 ? 115 TRP B C 1 ATOM 3304 O O . TRP B 1 34 ? -8.593 -8.877 -10.395 1.00 12.60 ? 115 TRP B O 1 ATOM 3305 C CB . TRP B 1 34 ? -10.475 -9.621 -8.042 1.00 12.55 ? 115 TRP B CB 1 ATOM 3306 C CG . TRP B 1 34 ? -11.057 -9.824 -6.687 1.00 12.61 ? 115 TRP B CG 1 ATOM 3307 C CD1 . TRP B 1 34 ? -11.670 -8.891 -5.897 1.00 12.66 ? 115 TRP B CD1 1 ATOM 3308 C CD2 . TRP B 1 34 ? -11.094 -11.053 -5.957 1.00 12.63 ? 115 TRP B CD2 1 ATOM 3309 N NE1 . TRP B 1 34 ? -12.088 -9.471 -4.718 1.00 12.68 ? 115 TRP B NE1 1 ATOM 3310 C CE2 . TRP B 1 34 ? -11.741 -10.796 -4.731 1.00 12.62 ? 115 TRP B CE2 1 ATOM 3311 C CE3 . TRP B 1 34 ? -10.641 -12.350 -6.222 1.00 12.68 ? 115 TRP B CE3 1 ATOM 3312 C CZ2 . TRP B 1 34 ? -11.946 -11.790 -3.772 1.00 12.70 ? 115 TRP B CZ2 1 ATOM 3313 C CZ3 . TRP B 1 34 ? -10.849 -13.332 -5.268 1.00 12.75 ? 115 TRP B CZ3 1 ATOM 3314 C CH2 . TRP B 1 34 ? -11.494 -13.046 -4.060 1.00 12.75 ? 115 TRP B CH2 1 ATOM 3315 N N . VAL B 1 35 ? -7.622 -10.628 -9.325 1.00 12.50 ? 116 VAL B N 1 ATOM 3316 C CA . VAL B 1 35 ? -7.269 -11.372 -10.536 1.00 12.37 ? 116 VAL B CA 1 ATOM 3317 C C . VAL B 1 35 ? -8.494 -12.171 -10.985 1.00 12.41 ? 116 VAL B C 1 ATOM 3318 O O . VAL B 1 35 ? -9.104 -12.889 -10.189 1.00 12.17 ? 116 VAL B O 1 ATOM 3319 C CB . VAL B 1 35 ? -6.084 -12.327 -10.304 1.00 12.55 ? 116 VAL B CB 1 ATOM 3320 C CG1 . VAL B 1 35 ? -5.839 -13.202 -11.525 1.00 12.54 ? 116 VAL B CG1 1 ATOM 3321 C CG2 . VAL B 1 35 ? -4.837 -11.535 -9.974 1.00 12.71 ? 116 VAL B CG2 1 ATOM 3322 N N . THR B 1 36 ? -8.845 -12.038 -12.262 1.00 12.51 ? 117 THR B N 1 ATOM 3323 C CA . THR B 1 36 ? -10.032 -12.680 -12.814 1.00 12.58 ? 117 THR B CA 1 ATOM 3324 C C . THR B 1 36 ? -9.793 -13.225 -14.222 1.00 12.69 ? 117 THR B C 1 ATOM 3325 O O . THR B 1 36 ? -8.774 -12.949 -14.845 1.00 12.78 ? 117 THR B O 1 ATOM 3326 C CB . THR B 1 36 ? -11.215 -11.689 -12.891 1.00 12.68 ? 117 THR B CB 1 ATOM 3327 O OG1 . THR B 1 36 ? -10.898 -10.617 -13.787 1.00 12.93 ? 117 THR B OG1 1 ATOM 3328 C CG2 . THR B 1 36 ? -11.529 -11.109 -11.529 1.00 12.80 ? 117 THR B CG2 1 ATOM 3329 N N . ARG B 1 37 ? -10.754 -14.008 -14.699 1.00 12.56 ? 118 ARG B N 1 ATOM 3330 C CA . ARG B 1 37 ? -10.927 -14.304 -16.121 1.00 12.61 ? 118 ARG B CA 1 ATOM 3331 C C . ARG B 1 37 ? -12.360 -14.803 -16.278 1.00 12.75 ? 118 ARG B C 1 ATOM 3332 O O . ARG B 1 37 ? -13.082 -14.924 -15.282 1.00 12.47 ? 118 ARG B O 1 ATOM 3333 C CB . ARG B 1 37 ? -9.900 -15.329 -16.636 1.00 12.92 ? 118 ARG B CB 1 ATOM 3334 C CG . ARG B 1 37 ? -8.713 -14.721 -17.391 1.00 13.10 ? 118 ARG B CG 1 ATOM 3335 C CD . ARG B 1 37 ? -8.251 -15.620 -18.539 1.00 13.30 ? 118 ARG B CD 1 ATOM 3336 N NE . ARG B 1 37 ? -9.288 -15.728 -19.562 1.00 13.44 ? 118 ARG B NE 1 ATOM 3337 C CZ . ARG B 1 37 ? -9.459 -16.756 -20.396 1.00 13.69 ? 118 ARG B CZ 1 ATOM 3338 N NH1 . ARG B 1 37 ? -8.656 -17.817 -20.368 1.00 13.80 ? 118 ARG B NH1 1 ATOM 3339 N NH2 . ARG B 1 37 ? -10.470 -16.725 -21.262 1.00 13.79 ? 118 ARG B NH2 1 ATOM 3340 N N . GLU B 1 38 ? -12.766 -15.060 -17.517 1.00 13.04 ? 119 GLU B N 1 ATOM 3341 C CA . GLU B 1 38 ? -14.124 -15.503 -17.833 1.00 13.47 ? 119 GLU B CA 1 ATOM 3342 C C . GLU B 1 38 ? -15.209 -14.561 -17.292 1.00 13.39 ? 119 GLU B C 1 ATOM 3343 O O . GLU B 1 38 ? -16.143 -15.002 -16.602 1.00 13.62 ? 119 GLU B O 1 ATOM 3344 C CB . GLU B 1 38 ? -14.341 -16.937 -17.338 1.00 13.97 ? 119 GLU B CB 1 ATOM 3345 C CG . GLU B 1 38 ? -13.423 -17.971 -17.993 1.00 14.47 ? 119 GLU B CG 1 ATOM 3346 C CD . GLU B 1 38 ? -12.065 -18.132 -17.324 1.00 14.87 ? 119 GLU B CD 1 ATOM 3347 O OE1 . GLU B 1 38 ? -11.909 -17.804 -16.124 1.00 14.91 ? 119 GLU B OE1 1 ATOM 3348 O OE2 . GLU B 1 38 ? -11.132 -18.606 -18.014 1.00 15.21 ? 119 GLU B OE2 1 ATOM 3349 N N . PRO B 1 39 ? -15.109 -13.263 -17.625 1.00 13.08 ? 120 PRO B N 1 ATOM 3350 C CA . PRO B 1 39 ? -16.128 -12.310 -17.204 1.00 13.00 ? 120 PRO B CA 1 ATOM 3351 C C . PRO B 1 39 ? -17.409 -12.433 -18.005 1.00 12.89 ? 120 PRO B C 1 ATOM 3352 O O . PRO B 1 39 ? -17.423 -13.038 -19.076 1.00 12.77 ? 120 PRO B O 1 ATOM 3353 C CB . PRO B 1 39 ? -15.485 -10.967 -17.541 1.00 13.10 ? 120 PRO B CB 1 ATOM 3354 C CG . PRO B 1 39 ? -14.740 -11.266 -18.793 1.00 13.15 ? 120 PRO B CG 1 ATOM 3355 C CD . PRO B 1 39 ? -14.130 -12.622 -18.526 1.00 13.23 ? 120 PRO B CD 1 ATOM 3356 N N . TYR B 1 40 ? -18.471 -11.825 -17.497 1.00 12.76 ? 121 TYR B N 1 ATOM 3357 C CA . TYR B 1 40 ? -19.678 -11.629 -18.273 1.00 12.82 ? 121 TYR B CA 1 ATOM 3358 C C . TYR B 1 40 ? -20.562 -10.568 -17.634 1.00 12.83 ? 121 TYR B C 1 ATOM 3359 O O . TYR B 1 40 ? -20.258 -10.060 -16.553 1.00 12.78 ? 121 TYR B O 1 ATOM 3360 C CB . TYR B 1 40 ? -20.441 -12.950 -18.476 1.00 12.88 ? 121 TYR B CB 1 ATOM 3361 C CG . TYR B 1 40 ? -20.817 -13.738 -17.237 1.00 12.94 ? 121 TYR B CG 1 ATOM 3362 C CD1 . TYR B 1 40 ? -19.946 -14.673 -16.688 1.00 12.82 ? 121 TYR B CD1 1 ATOM 3363 C CD2 . TYR B 1 40 ? -22.083 -13.618 -16.669 1.00 12.90 ? 121 TYR B CD2 1 ATOM 3364 C CE1 . TYR B 1 40 ? -20.313 -15.433 -15.587 1.00 12.92 ? 121 TYR B CE1 1 ATOM 3365 C CE2 . TYR B 1 40 ? -22.457 -14.372 -15.557 1.00 12.97 ? 121 TYR B CE2 1 ATOM 3366 C CZ . TYR B 1 40 ? -21.569 -15.277 -15.018 1.00 13.03 ? 121 TYR B CZ 1 ATOM 3367 O OH . TYR B 1 40 ? -21.926 -16.040 -13.919 1.00 13.03 ? 121 TYR B OH 1 ATOM 3368 N N . VAL B 1 41 ? -21.650 -10.224 -18.318 1.00 13.30 ? 122 VAL B N 1 ATOM 3369 C CA . VAL B 1 41 ? -22.587 -9.230 -17.826 1.00 13.30 ? 122 VAL B CA 1 ATOM 3370 C C . VAL B 1 41 ? -23.987 -9.820 -17.828 1.00 13.63 ? 122 VAL B C 1 ATOM 3371 O O . VAL B 1 41 ? -24.349 -10.574 -18.727 1.00 13.45 ? 122 VAL B O 1 ATOM 3372 C CB . VAL B 1 41 ? -22.557 -7.954 -18.691 1.00 13.36 ? 122 VAL B CB 1 ATOM 3373 C CG1 . VAL B 1 41 ? -23.587 -6.928 -18.219 1.00 13.55 ? 122 VAL B CG1 1 ATOM 3374 C CG2 . VAL B 1 41 ? -21.161 -7.353 -18.675 1.00 13.27 ? 122 VAL B CG2 1 ATOM 3375 N N . SER B 1 42 ? -24.759 -9.479 -16.805 1.00 13.91 ? 123 SER B N 1 ATOM 3376 C CA . SER B 1 42 ? -26.177 -9.812 -16.769 1.00 14.31 ? 123 SER B CA 1 ATOM 3377 C C . SER B 1 42 ? -26.892 -8.750 -15.971 1.00 15.24 ? 123 SER B C 1 ATOM 3378 O O . SER B 1 42 ? -26.321 -8.189 -15.029 1.00 15.29 ? 123 SER B O 1 ATOM 3379 C CB . SER B 1 42 ? -26.403 -11.184 -16.145 1.00 14.09 ? 123 SER B CB 1 ATOM 3380 O OG . SER B 1 42 ? -27.729 -11.636 -16.398 1.00 13.91 ? 123 SER B OG 1 ATOM 3381 N N . CYS B 1 43 ? -28.138 -8.469 -16.342 1.00 16.04 ? 124 CYS B N 1 ATOM 3382 C CA . CYS B 1 43 ? -28.882 -7.391 -15.714 1.00 16.96 ? 124 CYS B CA 1 ATOM 3383 C C . CYS B 1 43 ? -30.173 -7.908 -15.094 1.00 17.14 ? 124 CYS B C 1 ATOM 3384 O O . CYS B 1 43 ? -30.865 -8.744 -15.683 1.00 16.82 ? 124 CYS B O 1 ATOM 3385 C CB . CYS B 1 43 ? -29.173 -6.282 -16.737 1.00 17.86 ? 124 CYS B CB 1 ATOM 3386 S SG . CYS B 1 43 ? -27.783 -5.906 -17.857 1.00 18.69 ? 124 CYS B SG 1 ATOM 3387 N N . ASP B 1 44 ? -30.483 -7.427 -13.892 1.00 17.58 ? 125 ASP B N 1 ATOM 3388 C CA . ASP B 1 44 ? -31.836 -7.582 -13.334 1.00 18.50 ? 125 ASP B CA 1 ATOM 3389 C C . ASP B 1 44 ? -32.711 -6.528 -14.026 1.00 18.65 ? 125 ASP B C 1 ATOM 3390 O O . ASP B 1 44 ? -32.204 -5.765 -14.845 1.00 18.03 ? 125 ASP B O 1 ATOM 3391 C CB . ASP B 1 44 ? -31.832 -7.484 -11.789 1.00 19.27 ? 125 ASP B CB 1 ATOM 3392 C CG . ASP B 1 44 ? -31.596 -6.073 -11.260 1.00 19.92 ? 125 ASP B CG 1 ATOM 3393 O OD1 . ASP B 1 44 ? -31.914 -5.077 -11.930 1.00 20.54 ? 125 ASP B OD1 1 ATOM 3394 O OD2 . ASP B 1 44 ? -31.088 -5.957 -10.130 1.00 21.40 ? 125 ASP B OD2 1 ATOM 3395 N N . PRO B 1 45 ? -34.026 -6.486 -13.724 1.00 19.10 ? 126 PRO B N 1 ATOM 3396 C CA . PRO B 1 45 ? -34.894 -5.554 -14.450 1.00 19.77 ? 126 PRO B CA 1 ATOM 3397 C C . PRO B 1 45 ? -34.490 -4.074 -14.394 1.00 20.49 ? 126 PRO B C 1 ATOM 3398 O O . PRO B 1 45 ? -34.814 -3.326 -15.323 1.00 21.34 ? 126 PRO B O 1 ATOM 3399 C CB . PRO B 1 45 ? -36.258 -5.768 -13.786 1.00 20.13 ? 126 PRO B CB 1 ATOM 3400 C CG . PRO B 1 45 ? -36.223 -7.192 -13.344 1.00 20.00 ? 126 PRO B CG 1 ATOM 3401 C CD . PRO B 1 45 ? -34.805 -7.402 -12.873 1.00 19.47 ? 126 PRO B CD 1 ATOM 3402 N N . GLY B 1 46 ? -33.776 -3.667 -13.342 1.00 20.77 ? 127 GLY B N 1 ATOM 3403 C CA . GLY B 1 46 ? -33.372 -2.271 -13.165 1.00 21.18 ? 127 GLY B CA 1 ATOM 3404 C C . GLY B 1 46 ? -31.954 -1.946 -13.601 1.00 21.14 ? 127 GLY B C 1 ATOM 3405 O O . GLY B 1 46 ? -31.697 -0.877 -14.173 1.00 21.53 ? 127 GLY B O 1 ATOM 3406 N N . LYS B 1 47 ? -31.012 -2.844 -13.334 1.00 20.90 ? 128 LYS B N 1 ATOM 3407 C CA . LYS B 1 47 ? -29.620 -2.529 -13.661 1.00 21.32 ? 128 LYS B CA 1 ATOM 3408 C C . LYS B 1 47 ? -28.720 -3.726 -13.896 1.00 19.55 ? 128 LYS B C 1 ATOM 3409 O O . LYS B 1 47 ? -29.074 -4.866 -13.585 1.00 18.69 ? 128 LYS B O 1 ATOM 3410 C CB . LYS B 1 47 ? -29.036 -1.624 -12.587 1.00 23.00 ? 128 LYS B CB 1 ATOM 3411 C CG . LYS B 1 47 ? -29.032 -2.214 -11.197 1.00 24.60 ? 128 LYS B CG 1 ATOM 3412 C CD . LYS B 1 47 ? -29.439 -1.153 -10.181 1.00 26.59 ? 128 LYS B CD 1 ATOM 3413 C CE . LYS B 1 47 ? -28.650 -1.241 -8.891 1.00 27.67 ? 128 LYS B CE 1 ATOM 3414 N NZ . LYS B 1 47 ? -28.409 -2.634 -8.425 1.00 28.91 ? 128 LYS B NZ 1 ATOM 3415 N N . CYS B 1 48 ? -27.555 -3.428 -14.463 1.00 18.42 ? 129 CYS B N 1 ATOM 3416 C CA . CYS B 1 48 ? -26.610 -4.436 -14.918 1.00 17.66 ? 129 CYS B CA 1 ATOM 3417 C C . CYS B 1 48 ? -25.490 -4.693 -13.925 1.00 16.51 ? 129 CYS B C 1 ATOM 3418 O O . CYS B 1 48 ? -25.081 -3.805 -13.178 1.00 16.02 ? 129 CYS B O 1 ATOM 3419 C CB . CYS B 1 48 ? -26.023 -4.032 -16.273 1.00 18.16 ? 129 CYS B CB 1 ATOM 3420 S SG . CYS B 1 48 ? -27.295 -3.946 -17.562 1.00 19.01 ? 129 CYS B SG 1 ATOM 3421 N N . TYR B 1 49 ? -24.995 -5.926 -13.955 1.00 15.59 ? 130 TYR B N 1 ATOM 3422 C CA . TYR B 1 49 ? -23.901 -6.371 -13.109 1.00 15.02 ? 130 TYR B CA 1 ATOM 3423 C C . TYR B 1 49 ? -22.824 -7.003 -13.947 1.00 14.35 ? 130 TYR B C 1 ATOM 3424 O O . TYR B 1 49 ? -23.117 -7.655 -14.956 1.00 13.98 ? 130 TYR B O 1 ATOM 3425 C CB . TYR B 1 49 ? -24.403 -7.401 -12.105 1.00 15.44 ? 130 TYR B CB 1 ATOM 3426 C CG . TYR B 1 49 ? -25.335 -6.813 -11.087 1.00 16.21 ? 130 TYR B CG 1 ATOM 3427 C CD1 . TYR B 1 49 ? -26.683 -6.618 -11.377 1.00 17.05 ? 130 TYR B CD1 1 ATOM 3428 C CD2 . TYR B 1 49 ? -24.869 -6.436 -9.836 1.00 16.62 ? 130 TYR B CD2 1 ATOM 3429 C CE1 . TYR B 1 49 ? -27.537 -6.067 -10.438 1.00 17.82 ? 130 TYR B CE1 1 ATOM 3430 C CE2 . TYR B 1 49 ? -25.707 -5.883 -8.897 1.00 17.53 ? 130 TYR B CE2 1 ATOM 3431 C CZ . TYR B 1 49 ? -27.041 -5.705 -9.201 1.00 18.07 ? 130 TYR B CZ 1 ATOM 3432 O OH . TYR B 1 49 ? -27.866 -5.151 -8.251 1.00 20.11 ? 130 TYR B OH 1 ATOM 3433 N N . GLN B 1 50 ? -21.573 -6.815 -13.528 1.00 13.61 ? 131 GLN B N 1 ATOM 3434 C CA . GLN B 1 50 ? -20.473 -7.559 -14.109 1.00 13.27 ? 131 GLN B CA 1 ATOM 3435 C C . GLN B 1 50 ? -20.089 -8.705 -13.184 1.00 13.05 ? 131 GLN B C 1 ATOM 3436 O O . GLN B 1 50 ? -20.080 -8.567 -11.950 1.00 12.91 ? 131 GLN B O 1 ATOM 3437 C CB . GLN B 1 50 ? -19.259 -6.675 -14.446 1.00 13.38 ? 131 GLN B CB 1 ATOM 3438 C CG . GLN B 1 50 ? -18.653 -5.875 -13.302 1.00 13.47 ? 131 GLN B CG 1 ATOM 3439 C CD . GLN B 1 50 ? -17.522 -4.990 -13.792 1.00 13.76 ? 131 GLN B CD 1 ATOM 3440 O OE1 . GLN B 1 50 ? -17.754 -3.954 -14.417 1.00 13.91 ? 131 GLN B OE1 1 ATOM 3441 N NE2 . GLN B 1 50 ? -16.292 -5.410 -13.540 1.00 13.84 ? 131 GLN B NE2 1 ATOM 3442 N N . PHE B 1 51 ? -19.801 -9.836 -13.813 1.00 12.66 ? 132 PHE B N 1 ATOM 3443 C CA . PHE B 1 51 ? -19.403 -11.058 -13.149 1.00 12.48 ? 132 PHE B CA 1 ATOM 3444 C C . PHE B 1 51 ? -18.040 -11.460 -13.679 1.00 12.24 ? 132 PHE B C 1 ATOM 3445 O O . PHE B 1 51 ? -17.683 -11.118 -14.802 1.00 12.19 ? 132 PHE B O 1 ATOM 3446 C CB . PHE B 1 51 ? -20.372 -12.193 -13.493 1.00 12.62 ? 132 PHE B CB 1 ATOM 3447 C CG . PHE B 1 51 ? -21.774 -11.982 -13.003 1.00 12.74 ? 132 PHE B CG 1 ATOM 3448 C CD1 . PHE B 1 51 ? -22.660 -11.189 -13.712 1.00 12.91 ? 132 PHE B CD1 1 ATOM 3449 C CD2 . PHE B 1 51 ? -22.211 -12.592 -11.841 1.00 12.94 ? 132 PHE B CD2 1 ATOM 3450 C CE1 . PHE B 1 51 ? -23.961 -11.002 -13.271 1.00 13.05 ? 132 PHE B CE1 1 ATOM 3451 C CE2 . PHE B 1 51 ? -23.506 -12.408 -11.385 1.00 13.01 ? 132 PHE B CE2 1 ATOM 3452 C CZ . PHE B 1 51 ? -24.387 -11.615 -12.104 1.00 13.24 ? 132 PHE B CZ 1 ATOM 3453 N N . ALA B 1 52 ? -17.293 -12.205 -12.880 1.00 12.19 ? 133 ALA B N 1 ATOM 3454 C CA . ALA B 1 52 ? -16.110 -12.903 -13.368 1.00 12.15 ? 133 ALA B CA 1 ATOM 3455 C C . ALA B 1 52 ? -15.687 -13.966 -12.374 1.00 12.32 ? 133 ALA B C 1 ATOM 3456 O O . ALA B 1 52 ? -16.120 -13.962 -11.222 1.00 12.50 ? 133 ALA B O 1 ATOM 3457 C CB . ALA B 1 52 ? -14.965 -11.927 -13.615 1.00 12.12 ? 133 ALA B CB 1 ATOM 3458 N N . LEU B 1 53 ? -14.832 -14.873 -12.828 1.00 12.36 ? 134 LEU B N 1 ATOM 3459 C CA . LEU B 1 53 ? -14.251 -15.880 -11.949 1.00 12.49 ? 134 LEU B CA 1 ATOM 3460 C C . LEU B 1 53 ? -12.949 -15.356 -11.367 1.00 12.37 ? 134 LEU B C 1 ATOM 3461 O O . LEU B 1 53 ? -11.964 -15.168 -12.081 1.00 12.25 ? 134 LEU B O 1 ATOM 3462 C CB . LEU B 1 53 ? -14.010 -17.185 -12.706 1.00 12.71 ? 134 LEU B CB 1 ATOM 3463 C CG . LEU B 1 53 ? -15.278 -17.785 -13.315 1.00 12.78 ? 134 LEU B CG 1 ATOM 3464 C CD1 . LEU B 1 53 ? -14.949 -19.026 -14.126 1.00 13.09 ? 134 LEU B CD1 1 ATOM 3465 C CD2 . LEU B 1 53 ? -16.317 -18.095 -12.241 1.00 13.00 ? 134 LEU B CD2 1 ATOM 3466 N N . GLY B 1 54 ? -12.956 -15.112 -10.060 1.00 12.19 ? 135 GLY B N 1 ATOM 3467 C CA . GLY B 1 54 ? -11.745 -14.754 -9.354 1.00 12.03 ? 135 GLY B CA 1 ATOM 3468 C C . GLY B 1 54 ? -10.749 -15.898 -9.332 1.00 12.15 ? 135 GLY B C 1 ATOM 3469 O O . GLY B 1 54 ? -11.097 -17.062 -9.582 1.00 11.93 ? 135 GLY B O 1 ATOM 3470 N N . GLN B 1 55 ? -9.502 -15.557 -9.034 1.00 12.17 ? 136 GLN B N 1 ATOM 3471 C CA . GLN B 1 55 ? -8.451 -16.549 -8.832 1.00 12.38 ? 136 GLN B CA 1 ATOM 3472 C C . GLN B 1 55 ? -8.026 -16.601 -7.361 1.00 12.34 ? 136 GLN B C 1 ATOM 3473 O O . GLN B 1 55 ? -6.935 -17.063 -7.028 1.00 12.58 ? 136 GLN B O 1 ATOM 3474 C CB . GLN B 1 55 ? -7.269 -16.243 -9.750 1.00 12.60 ? 136 GLN B CB 1 ATOM 3475 C CG . GLN B 1 55 ? -7.557 -16.517 -11.221 1.00 12.70 ? 136 GLN B CG 1 ATOM 3476 C CD . GLN B 1 55 ? -7.453 -17.987 -11.603 1.00 13.06 ? 136 GLN B CD 1 ATOM 3477 O OE1 . GLN B 1 55 ? -7.394 -18.875 -10.742 1.00 13.63 ? 136 GLN B OE1 1 ATOM 3478 N NE2 . GLN B 1 55 ? -7.428 -18.252 -12.902 1.00 13.15 ? 136 GLN B NE2 1 ATOM 3479 N N . GLY B 1 56 ? -8.909 -16.152 -6.472 1.00 12.12 ? 137 GLY B N 1 ATOM 3480 C CA . GLY B 1 56 ? -8.640 -16.197 -5.031 1.00 12.31 ? 137 GLY B CA 1 ATOM 3481 C C . GLY B 1 56 ? -7.503 -15.282 -4.590 1.00 12.35 ? 137 GLY B C 1 ATOM 3482 O O . GLY B 1 56 ? -6.858 -15.531 -3.581 1.00 12.43 ? 137 GLY B O 1 ATOM 3483 N N . THR B 1 57 ? -7.263 -14.222 -5.348 1.00 12.49 ? 138 THR B N 1 ATOM 3484 C CA . THR B 1 57 ? -6.135 -13.326 -5.087 1.00 12.63 ? 138 THR B CA 1 ATOM 3485 C C . THR B 1 57 ? -6.318 -11.999 -5.803 1.00 12.73 ? 138 THR B C 1 ATOM 3486 O O . THR B 1 57 ? -7.034 -11.914 -6.797 1.00 12.45 ? 138 THR B O 1 ATOM 3487 C CB . THR B 1 57 ? -4.793 -13.952 -5.534 1.00 12.82 ? 138 THR B CB 1 ATOM 3488 O OG1 . THR B 1 57 ? -3.707 -13.062 -5.217 1.00 12.98 ? 138 THR B OG1 1 ATOM 3489 C CG2 . THR B 1 57 ? -4.778 -14.236 -7.032 1.00 12.86 ? 138 THR B CG2 1 ATOM 3490 N N . THR B 1 58 ? -5.658 -10.966 -5.279 1.00 12.95 ? 139 THR B N 1 ATOM 3491 C CA . THR B 1 58 ? -5.515 -9.708 -5.985 1.00 13.09 ? 139 THR B CA 1 ATOM 3492 C C . THR B 1 58 ? -4.293 -9.809 -6.896 1.00 13.51 ? 139 THR B C 1 ATOM 3493 O O . THR B 1 58 ? -3.505 -10.767 -6.802 1.00 13.40 ? 139 THR B O 1 ATOM 3494 C CB . THR B 1 58 ? -5.353 -8.528 -5.008 1.00 13.23 ? 139 THR B CB 1 ATOM 3495 O OG1 . THR B 1 58 ? -4.386 -8.862 -4.013 1.00 13.36 ? 139 THR B OG1 1 ATOM 3496 C CG2 . THR B 1 58 ? -6.667 -8.215 -4.315 1.00 13.18 ? 139 THR B CG2 1 ATOM 3497 N N . LEU B 1 59 ? -4.130 -8.826 -7.776 1.00 13.74 ? 140 LEU B N 1 ATOM 3498 C CA . LEU B 1 59 ? -3.047 -8.858 -8.759 1.00 13.97 ? 140 LEU B CA 1 ATOM 3499 C C . LEU B 1 59 ? -1.705 -8.515 -8.131 1.00 14.37 ? 140 LEU B C 1 ATOM 3500 O O . LEU B 1 59 ? -0.715 -9.227 -8.351 1.00 14.55 ? 140 LEU B O 1 ATOM 3501 C CB . LEU B 1 59 ? -3.354 -7.924 -9.932 1.00 13.88 ? 140 LEU B CB 1 ATOM 3502 C CG . LEU B 1 59 ? -2.387 -7.959 -11.117 1.00 13.91 ? 140 LEU B CG 1 ATOM 3503 C CD1 . LEU B 1 59 ? -3.149 -7.703 -12.415 1.00 14.12 ? 140 LEU B CD1 1 ATOM 3504 C CD2 . LEU B 1 59 ? -1.230 -6.968 -10.963 1.00 14.28 ? 140 LEU B CD2 1 ATOM 3505 N N . ASP B 1 60 ? -1.661 -7.431 -7.363 1.00 14.56 ? 141 ASP B N 1 ATOM 3506 C CA . ASP B 1 60 ? -0.432 -7.047 -6.652 1.00 15.10 ? 141 ASP B CA 1 ATOM 3507 C C . ASP B 1 60 ? -0.333 -7.863 -5.352 1.00 14.95 ? 141 ASP B C 1 ATOM 3508 O O . ASP B 1 60 ? -0.646 -7.381 -4.268 1.00 14.73 ? 141 ASP B O 1 ATOM 3509 C CB . ASP B 1 60 ? -0.428 -5.544 -6.375 1.00 15.69 ? 141 ASP B CB 1 ATOM 3510 C CG . ASP B 1 60 ? 0.944 -5.014 -6.047 1.00 16.76 ? 141 ASP B CG 1 ATOM 3511 O OD1 . ASP B 1 60 ? 1.876 -5.822 -5.830 1.00 17.73 ? 141 ASP B OD1 1 ATOM 3512 O OD2 . ASP B 1 60 ? 1.081 -3.778 -6.010 1.00 17.70 ? 141 ASP B OD2 1 ATOM 3513 N N . ASN B 1 61 ? 0.120 -9.103 -5.498 1.00 14.80 ? 142 ASN B N 1 ATOM 3514 C CA . ASN B 1 61 ? -0.010 -10.153 -4.483 1.00 14.68 ? 142 ASN B CA 1 ATOM 3515 C C . ASN B 1 61 ? 0.789 -11.323 -5.037 1.00 14.97 ? 142 ASN B C 1 ATOM 3516 O O . ASN B 1 61 ? 0.620 -11.671 -6.203 1.00 14.69 ? 142 ASN B O 1 ATOM 3517 C CB . ASN B 1 61 ? -1.490 -10.546 -4.352 1.00 14.29 ? 142 ASN B CB 1 ATOM 3518 C CG . ASN B 1 61 ? -1.786 -11.501 -3.197 1.00 14.25 ? 142 ASN B CG 1 ATOM 3519 O OD1 . ASN B 1 61 ? -1.046 -12.443 -2.918 1.00 14.12 ? 142 ASN B OD1 1 ATOM 3520 N ND2 . ASN B 1 61 ? -2.920 -11.277 -2.549 1.00 14.07 ? 142 ASN B ND2 1 ATOM 3521 N N . LYS B 1 62 ? 1.652 -11.928 -4.228 1.00 15.73 ? 143 LYS B N 1 ATOM 3522 C CA . LYS B 1 62 ? 2.454 -13.055 -4.705 1.00 16.19 ? 143 LYS B CA 1 ATOM 3523 C C . LYS B 1 62 ? 1.605 -14.252 -5.155 1.00 15.93 ? 143 LYS B C 1 ATOM 3524 O O . LYS B 1 62 ? 2.066 -15.071 -5.958 1.00 15.69 ? 143 LYS B O 1 ATOM 3525 C CB . LYS B 1 62 ? 3.470 -13.474 -3.649 1.00 17.41 ? 143 LYS B CB 1 ATOM 3526 C CG . LYS B 1 62 ? 4.595 -12.458 -3.509 1.00 18.39 ? 143 LYS B CG 1 ATOM 3527 C CD . LYS B 1 62 ? 5.579 -12.852 -2.431 1.00 19.98 ? 143 LYS B CD 1 ATOM 3528 C CE . LYS B 1 62 ? 6.732 -11.864 -2.376 1.00 21.00 ? 143 LYS B CE 1 ATOM 3529 N NZ . LYS B 1 62 ? 7.803 -12.370 -1.488 1.00 22.55 ? 143 LYS B NZ 1 ATOM 3530 N N . HIS B 1 63 ? 0.364 -14.341 -4.672 1.00 15.33 ? 144 HIS B N 1 ATOM 3531 C CA . HIS B 1 63 ? -0.533 -15.427 -5.087 1.00 15.27 ? 144 HIS B CA 1 ATOM 3532 C C . HIS B 1 63 ? -1.059 -15.261 -6.513 1.00 15.24 ? 144 HIS B C 1 ATOM 3533 O O . HIS B 1 63 ? -1.720 -16.158 -7.030 1.00 15.21 ? 144 HIS B O 1 ATOM 3534 C CB . HIS B 1 63 ? -1.718 -15.573 -4.127 1.00 15.01 ? 144 HIS B CB 1 ATOM 3535 C CG . HIS B 1 63 ? -1.325 -15.925 -2.728 1.00 14.85 ? 144 HIS B CG 1 ATOM 3536 N ND1 . HIS B 1 63 ? -1.111 -14.971 -1.761 1.00 14.81 ? 144 HIS B ND1 1 ATOM 3537 C CD2 . HIS B 1 63 ? -1.118 -17.120 -2.127 1.00 15.05 ? 144 HIS B CD2 1 ATOM 3538 C CE1 . HIS B 1 63 ? -0.790 -15.559 -0.625 1.00 15.01 ? 144 HIS B CE1 1 ATOM 3539 N NE2 . HIS B 1 63 ? -0.789 -16.862 -0.819 1.00 15.05 ? 144 HIS B NE2 1 ATOM 3540 N N . SER B 1 64 ? -0.782 -14.126 -7.150 1.00 15.44 ? 145 SER B N 1 ATOM 3541 C CA . SER B 1 64 ? -1.180 -13.921 -8.536 1.00 15.91 ? 145 SER B CA 1 ATOM 3542 C C . SER B 1 64 ? -0.324 -14.752 -9.491 1.00 17.30 ? 145 SER B C 1 ATOM 3543 O O . SER B 1 64 ? -0.694 -14.941 -10.652 1.00 17.49 ? 145 SER B O 1 ATOM 3544 C CB . SER B 1 64 ? -1.094 -12.441 -8.922 1.00 15.69 ? 145 SER B CB 1 ATOM 3545 O OG . SER B 1 64 ? 0.253 -11.998 -9.002 1.00 15.54 ? 145 SER B OG 1 ATOM 3546 N N . ASN B 1 65 ? 0.814 -15.235 -8.997 1.00 18.84 ? 146 ASN B N 1 ATOM 3547 C CA . ASN B 1 65 ? 1.758 -16.003 -9.800 1.00 20.80 ? 146 ASN B CA 1 ATOM 3548 C C . ASN B 1 65 ? 1.093 -17.256 -10.353 1.00 21.14 ? 146 ASN B C 1 ATOM 3549 O O . ASN B 1 65 ? 0.443 -18.000 -9.621 1.00 20.91 ? 146 ASN B O 1 ATOM 3550 C CB . ASN B 1 65 ? 2.973 -16.366 -8.945 1.00 22.57 ? 146 ASN B CB 1 ATOM 3551 C CG . ASN B 1 65 ? 4.156 -16.857 -9.757 1.00 24.78 ? 146 ASN B CG 1 ATOM 3552 O OD1 . ASN B 1 65 ? 4.004 -17.360 -10.875 1.00 24.55 ? 146 ASN B OD1 1 ATOM 3553 N ND2 . ASN B 1 65 ? 5.358 -16.712 -9.184 1.00 27.29 ? 146 ASN B ND2 1 ATOM 3554 N N . ASP B 1 66 ? 1.238 -17.454 -11.659 1.00 22.10 ? 147 ASP B N 1 ATOM 3555 C CA . ASP B 1 66 ? 0.768 -18.652 -12.352 1.00 22.57 ? 147 ASP B CA 1 ATOM 3556 C C . ASP B 1 66 ? -0.745 -18.834 -12.270 1.00 22.13 ? 147 ASP B C 1 ATOM 3557 O O . ASP B 1 66 ? -1.241 -19.958 -12.197 1.00 22.35 ? 147 ASP B O 1 ATOM 3558 C CB . ASP B 1 66 ? 1.505 -19.902 -11.847 1.00 23.80 ? 147 ASP B CB 1 ATOM 3559 C CG . ASP B 1 66 ? 1.489 -21.043 -12.857 1.00 24.21 ? 147 ASP B CG 1 ATOM 3560 O OD1 . ASP B 1 66 ? 1.244 -20.792 -14.055 1.00 25.31 ? 147 ASP B OD1 1 ATOM 3561 O OD2 . ASP B 1 66 ? 1.720 -22.196 -12.457 1.00 24.67 ? 147 ASP B OD2 1 ATOM 3562 N N . THR B 1 67 ? -1.475 -17.718 -12.328 1.00 21.32 ? 148 THR B N 1 ATOM 3563 C CA . THR B 1 67 ? -2.932 -17.741 -12.413 1.00 20.60 ? 148 THR B CA 1 ATOM 3564 C C . THR B 1 67 ? -3.446 -17.988 -13.840 1.00 21.08 ? 148 THR B C 1 ATOM 3565 O O . THR B 1 67 ? -4.629 -17.803 -14.112 1.00 20.27 ? 148 THR B O 1 ATOM 3566 C CB . THR B 1 67 ? -3.535 -16.433 -11.848 1.00 20.08 ? 148 THR B CB 1 ATOM 3567 O OG1 . THR B 1 67 ? -2.774 -15.305 -12.302 1.00 20.02 ? 148 THR B OG1 1 ATOM 3568 C CG2 . THR B 1 67 ? -3.507 -16.464 -10.333 1.00 20.00 ? 148 THR B CG2 1 ATOM 3569 N N . VAL B 1 68 ? -2.575 -18.434 -14.749 1.00 21.90 ? 149 VAL B N 1 ATOM 3570 C CA . VAL B 1 68 ? -3.024 -18.856 -16.079 1.00 22.33 ? 149 VAL B CA 1 ATOM 3571 C C . VAL B 1 68 ? -3.932 -20.087 -15.994 1.00 22.93 ? 149 VAL B C 1 ATOM 3572 O O . VAL B 1 68 ? -4.789 -20.290 -16.854 1.00 22.20 ? 149 VAL B O 1 ATOM 3573 C CB . VAL B 1 68 ? -1.835 -19.131 -17.035 1.00 22.77 ? 149 VAL B CB 1 ATOM 3574 C CG1 . VAL B 1 68 ? -1.092 -20.407 -16.649 1.00 23.41 ? 149 VAL B CG1 1 ATOM 3575 C CG2 . VAL B 1 68 ? -2.310 -19.186 -18.481 1.00 22.84 ? 149 VAL B CG2 1 ATOM 3576 N N . HIS B 1 69 ? -3.762 -20.889 -14.941 1.00 23.53 ? 150 HIS B N 1 ATOM 3577 C CA . HIS B 1 69 ? -4.522 -22.137 -14.793 1.00 23.91 ? 150 HIS B CA 1 ATOM 3578 C C . HIS B 1 69 ? -6.017 -21.897 -14.618 1.00 22.88 ? 150 HIS B C 1 ATOM 3579 O O . HIS B 1 69 ? -6.431 -20.980 -13.914 1.00 21.85 ? 150 HIS B O 1 ATOM 3580 C CB . HIS B 1 69 ? -3.978 -22.963 -13.627 1.00 25.21 ? 150 HIS B CB 1 ATOM 3581 C CG . HIS B 1 69 ? -2.551 -23.366 -13.810 1.00 26.79 ? 150 HIS B CG 1 ATOM 3582 N ND1 . HIS B 1 69 ? -2.145 -24.212 -14.821 1.00 28.11 ? 150 HIS B ND1 1 ATOM 3583 C CD2 . HIS B 1 69 ? -1.430 -23.019 -13.136 1.00 27.47 ? 150 HIS B CD2 1 ATOM 3584 C CE1 . HIS B 1 69 ? -0.836 -24.378 -14.753 1.00 28.35 ? 150 HIS B CE1 1 ATOM 3585 N NE2 . HIS B 1 69 ? -0.379 -23.670 -13.736 1.00 28.12 ? 150 HIS B NE2 1 ATOM 3586 N N . ASP B 1 70 ? -6.816 -22.737 -15.266 1.00 22.03 ? 151 ASP B N 1 ATOM 3587 C CA . ASP B 1 70 ? -8.264 -22.530 -15.326 1.00 21.81 ? 151 ASP B CA 1 ATOM 3588 C C . ASP B 1 70 ? -9.011 -22.956 -14.072 1.00 20.18 ? 151 ASP B C 1 ATOM 3589 O O . ASP B 1 70 ? -10.052 -22.373 -13.753 1.00 19.58 ? 151 ASP B O 1 ATOM 3590 C CB . ASP B 1 70 ? -8.850 -23.279 -16.530 1.00 23.03 ? 151 ASP B CB 1 ATOM 3591 C CG . ASP B 1 70 ? -8.353 -22.727 -17.850 1.00 24.33 ? 151 ASP B CG 1 ATOM 3592 O OD1 . ASP B 1 70 ? -8.397 -21.489 -18.029 1.00 24.28 ? 151 ASP B OD1 1 ATOM 3593 O OD2 . ASP B 1 70 ? -7.901 -23.528 -18.696 1.00 26.25 ? 151 ASP B OD2 1 ATOM 3594 N N . ARG B 1 71 ? -8.517 -23.981 -13.374 1.00 18.67 ? 152 ARG B N 1 ATOM 3595 C CA . ARG B 1 71 ? -9.293 -24.582 -12.291 1.00 17.74 ? 152 ARG B CA 1 ATOM 3596 C C . ARG B 1 71 ? -8.455 -24.798 -11.039 1.00 17.70 ? 152 ARG B C 1 ATOM 3597 O O . ARG B 1 71 ? -7.520 -25.617 -11.031 1.00 18.50 ? 152 ARG B O 1 ATOM 3598 C CB . ARG B 1 71 ? -9.932 -25.901 -12.760 1.00 17.56 ? 152 ARG B CB 1 ATOM 3599 C CG . ARG B 1 71 ? -10.803 -25.748 -14.000 1.00 17.14 ? 152 ARG B CG 1 ATOM 3600 C CD . ARG B 1 71 ? -11.308 -27.084 -14.540 1.00 17.16 ? 152 ARG B CD 1 ATOM 3601 N NE . ARG B 1 71 ? -10.205 -27.982 -14.878 1.00 16.94 ? 152 ARG B NE 1 ATOM 3602 C CZ . ARG B 1 71 ? -9.474 -27.916 -15.991 1.00 17.11 ? 152 ARG B CZ 1 ATOM 3603 N NH1 . ARG B 1 71 ? -9.703 -26.997 -16.930 1.00 17.13 ? 152 ARG B NH1 1 ATOM 3604 N NH2 . ARG B 1 71 ? -8.491 -28.787 -16.168 1.00 17.56 ? 152 ARG B NH2 1 ATOM 3605 N N . ILE B 1 72 ? -8.759 -24.011 -10.008 1.00 16.43 ? 153 ILE B N 1 ATOM 3606 C CA . ILE B 1 72 ? -8.241 -24.223 -8.656 1.00 15.86 ? 153 ILE B CA 1 ATOM 3607 C C . ILE B 1 72 ? -9.420 -24.070 -7.699 1.00 15.46 ? 153 ILE B C 1 ATOM 3608 O O . ILE B 1 72 ? -10.412 -23.439 -8.053 1.00 14.89 ? 153 ILE B O 1 ATOM 3609 C CB . ILE B 1 72 ? -7.091 -23.238 -8.280 1.00 15.70 ? 153 ILE B CB 1 ATOM 3610 C CG1 . ILE B 1 72 ? -7.538 -21.774 -8.380 1.00 15.24 ? 153 ILE B CG1 1 ATOM 3611 C CG2 . ILE B 1 72 ? -5.859 -23.484 -9.153 1.00 15.78 ? 153 ILE B CG2 1 ATOM 3612 C CD1 . ILE B 1 72 ? -6.488 -20.784 -7.901 1.00 15.49 ? 153 ILE B CD1 1 ATOM 3613 N N . PRO B 1 73 ? -9.318 -24.635 -6.482 1.00 15.36 ? 154 PRO B N 1 ATOM 3614 C CA . PRO B 1 73 ? -10.442 -24.592 -5.523 1.00 15.11 ? 154 PRO B CA 1 ATOM 3615 C C . PRO B 1 73 ? -10.815 -23.192 -5.027 1.00 14.56 ? 154 PRO B C 1 ATOM 3616 O O . PRO B 1 73 ? -11.886 -22.998 -4.450 1.00 14.11 ? 154 PRO B O 1 ATOM 3617 C CB . PRO B 1 73 ? -9.939 -25.440 -4.343 1.00 15.59 ? 154 PRO B CB 1 ATOM 3618 C CG . PRO B 1 73 ? -8.722 -26.145 -4.823 1.00 15.91 ? 154 PRO B CG 1 ATOM 3619 C CD . PRO B 1 73 ? -8.142 -25.318 -5.920 1.00 15.72 ? 154 PRO B CD 1 ATOM 3620 N N . HIS B 1 74 ? -9.939 -22.221 -5.264 1.00 14.24 ? 155 HIS B N 1 ATOM 3621 C CA . HIS B 1 74 ? -10.078 -20.888 -4.703 1.00 13.82 ? 155 HIS B CA 1 ATOM 3622 C C . HIS B 1 74 ? -10.807 -19.938 -5.632 1.00 13.45 ? 155 HIS B C 1 ATOM 3623 O O . HIS B 1 74 ? -11.114 -18.811 -5.244 1.00 13.61 ? 155 HIS B O 1 ATOM 3624 C CB . HIS B 1 74 ? -8.682 -20.371 -4.353 1.00 13.90 ? 155 HIS B CB 1 ATOM 3625 C CG . HIS B 1 74 ? -7.874 -21.397 -3.635 1.00 14.18 ? 155 HIS B CG 1 ATOM 3626 N ND1 . HIS B 1 74 ? -8.290 -21.947 -2.444 1.00 14.33 ? 155 HIS B ND1 1 ATOM 3627 C CD2 . HIS B 1 74 ? -6.747 -22.056 -3.983 1.00 14.38 ? 155 HIS B CD2 1 ATOM 3628 C CE1 . HIS B 1 74 ? -7.431 -22.876 -2.069 1.00 14.59 ? 155 HIS B CE1 1 ATOM 3629 N NE2 . HIS B 1 74 ? -6.484 -22.961 -2.986 1.00 14.49 ? 155 HIS B NE2 1 ATOM 3630 N N . ARG B 1 75 ? -11.109 -20.394 -6.843 1.00 13.14 ? 156 ARG B N 1 ATOM 3631 C CA . ARG B 1 75 ? -11.886 -19.589 -7.767 1.00 12.76 ? 156 ARG B CA 1 ATOM 3632 C C . ARG B 1 75 ? -13.313 -19.447 -7.260 1.00 12.75 ? 156 ARG B C 1 ATOM 3633 O O . ARG B 1 75 ? -13.950 -20.429 -6.858 1.00 12.76 ? 156 ARG B O 1 ATOM 3634 C CB . ARG B 1 75 ? -11.868 -20.173 -9.181 1.00 12.72 ? 156 ARG B CB 1 ATOM 3635 C CG . ARG B 1 75 ? -10.473 -20.311 -9.768 1.00 12.68 ? 156 ARG B CG 1 ATOM 3636 C CD . ARG B 1 75 ? -10.485 -20.283 -11.290 1.00 12.73 ? 156 ARG B CD 1 ATOM 3637 N NE . ARG B 1 75 ? -10.652 -18.941 -11.839 1.00 12.41 ? 156 ARG B NE 1 ATOM 3638 C CZ . ARG B 1 75 ? -10.623 -18.636 -13.136 1.00 12.56 ? 156 ARG B CZ 1 ATOM 3639 N NH1 . ARG B 1 75 ? -10.452 -19.583 -14.063 1.00 12.71 ? 156 ARG B NH1 1 ATOM 3640 N NH2 . ARG B 1 75 ? -10.770 -17.373 -13.515 1.00 12.38 ? 156 ARG B NH2 1 ATOM 3641 N N . THR B 1 76 ? -13.782 -18.206 -7.251 1.00 12.52 ? 157 THR B N 1 ATOM 3642 C CA . THR B 1 76 ? -15.131 -17.868 -6.835 1.00 12.42 ? 157 THR B CA 1 ATOM 3643 C C . THR B 1 76 ? -15.731 -16.897 -7.830 1.00 12.34 ? 157 THR B C 1 ATOM 3644 O O . THR B 1 76 ? -15.017 -16.127 -8.475 1.00 12.14 ? 157 THR B O 1 ATOM 3645 C CB . THR B 1 76 ? -15.144 -17.224 -5.437 1.00 12.49 ? 157 THR B CB 1 ATOM 3646 O OG1 . THR B 1 76 ? -14.274 -16.077 -5.417 1.00 12.85 ? 157 THR B OG1 1 ATOM 3647 C CG2 . THR B 1 76 ? -14.694 -18.224 -4.381 1.00 12.57 ? 157 THR B CG2 1 ATOM 3648 N N . LEU B 1 77 ? -17.051 -16.928 -7.951 1.00 12.40 ? 158 LEU B N 1 ATOM 3649 C CA . LEU B 1 77 ? -17.753 -16.007 -8.818 1.00 12.64 ? 158 LEU B CA 1 ATOM 3650 C C . LEU B 1 77 ? -17.880 -14.655 -8.130 1.00 12.78 ? 158 LEU B C 1 ATOM 3651 O O . LEU B 1 77 ? -18.404 -14.564 -7.021 1.00 13.34 ? 158 LEU B O 1 ATOM 3652 C CB . LEU B 1 77 ? -19.144 -16.543 -9.136 1.00 12.60 ? 158 LEU B CB 1 ATOM 3653 C CG . LEU B 1 77 ? -20.021 -15.694 -10.050 1.00 12.77 ? 158 LEU B CG 1 ATOM 3654 C CD1 . LEU B 1 77 ? -19.363 -15.462 -11.396 1.00 12.73 ? 158 LEU B CD1 1 ATOM 3655 C CD2 . LEU B 1 77 ? -21.371 -16.380 -10.211 1.00 12.97 ? 158 LEU B CD2 1 ATOM 3656 N N . LEU B 1 78 ? -17.418 -13.613 -8.803 1.00 12.76 ? 159 LEU B N 1 ATOM 3657 C CA . LEU B 1 78 ? -17.509 -12.247 -8.307 1.00 12.76 ? 159 LEU B CA 1 ATOM 3658 C C . LEU B 1 78 ? -18.681 -11.557 -8.977 1.00 12.84 ? 159 LEU B C 1 ATOM 3659 O O . LEU B 1 78 ? -18.956 -11.812 -10.147 1.00 12.78 ? 159 LEU B O 1 ATOM 3660 C CB . LEU B 1 78 ? -16.226 -11.487 -8.644 1.00 12.66 ? 159 LEU B CB 1 ATOM 3661 C CG . LEU B 1 78 ? -14.914 -12.135 -8.206 1.00 12.66 ? 159 LEU B CG 1 ATOM 3662 C CD1 . LEU B 1 78 ? -13.738 -11.262 -8.612 1.00 12.84 ? 159 LEU B CD1 1 ATOM 3663 C CD2 . LEU B 1 78 ? -14.890 -12.379 -6.709 1.00 12.83 ? 159 LEU B CD2 1 ATOM 3664 N N . MET B 1 79 ? -19.346 -10.669 -8.248 1.00 13.07 ? 160 MET B N 1 ATOM 3665 C CA . MET B 1 79 ? -20.507 -9.946 -8.766 1.00 13.41 ? 160 MET B CA 1 ATOM 3666 C C . MET B 1 79 ? -20.537 -8.521 -8.220 1.00 13.69 ? 160 MET B C 1 ATOM 3667 O O . MET B 1 79 ? -20.674 -8.320 -7.011 1.00 13.77 ? 160 MET B O 1 ATOM 3668 C CB . MET B 1 79 ? -21.798 -10.671 -8.381 1.00 13.74 ? 160 MET B CB 1 ATOM 3669 C CG . MET B 1 79 ? -23.080 -9.991 -8.845 1.00 14.14 ? 160 MET B CG 1 ATOM 3670 S SD . MET B 1 79 ? -24.521 -10.884 -8.248 1.00 14.65 ? 160 MET B SD 1 ATOM 3671 C CE . MET B 1 79 ? -25.869 -9.901 -8.902 1.00 14.86 ? 160 MET B CE 1 ATOM 3672 N N . ASN B 1 80 ? -20.413 -7.549 -9.124 1.00 13.78 ? 161 ASN B N 1 ATOM 3673 C CA . ASN B 1 80 ? -20.549 -6.126 -8.818 1.00 14.11 ? 161 ASN B CA 1 ATOM 3674 C C . ASN B 1 80 ? -21.508 -5.468 -9.789 1.00 14.18 ? 161 ASN B C 1 ATOM 3675 O O . ASN B 1 80 ? -21.767 -5.996 -10.868 1.00 13.83 ? 161 ASN B O 1 ATOM 3676 C CB . ASN B 1 80 ? -19.209 -5.411 -9.003 1.00 14.41 ? 161 ASN B CB 1 ATOM 3677 C CG . ASN B 1 80 ? -18.304 -5.504 -7.794 1.00 14.84 ? 161 ASN B CG 1 ATOM 3678 O OD1 . ASN B 1 80 ? -18.711 -5.938 -6.718 1.00 15.74 ? 161 ASN B OD1 1 ATOM 3679 N ND2 . ASN B 1 80 ? -17.065 -5.070 -7.966 1.00 14.76 ? 161 ASN B ND2 1 ATOM 3680 N N . GLU B 1 81 ? -21.986 -4.279 -9.440 1.00 14.63 ? 162 GLU B N 1 ATOM 3681 C CA . GLU B 1 81 ? -22.669 -3.457 -10.429 1.00 15.09 ? 162 GLU B CA 1 ATOM 3682 C C . GLU B 1 81 ? -21.716 -3.201 -11.589 1.00 14.37 ? 162 GLU B C 1 ATOM 3683 O O . GLU B 1 81 ? -20.512 -3.044 -11.385 1.00 13.91 ? 162 GLU B O 1 ATOM 3684 C CB . GLU B 1 81 ? -23.118 -2.127 -9.839 1.00 16.41 ? 162 GLU B CB 1 ATOM 3685 C CG . GLU B 1 81 ? -24.352 -2.232 -8.969 1.00 17.94 ? 162 GLU B CG 1 ATOM 3686 C CD . GLU B 1 81 ? -25.035 -0.883 -8.782 1.00 19.66 ? 162 GLU B CD 1 ATOM 3687 O OE1 . GLU B 1 81 ? -25.362 -0.213 -9.792 1.00 21.27 ? 162 GLU B OE1 1 ATOM 3688 O OE2 . GLU B 1 81 ? -25.241 -0.499 -7.621 1.00 21.02 ? 162 GLU B OE2 1 ATOM 3689 N N . LEU B 1 82 ? -22.260 -3.166 -12.800 1.00 14.03 ? 163 LEU B N 1 ATOM 3690 C CA . LEU B 1 82 ? -21.454 -2.943 -13.991 1.00 13.87 ? 163 LEU B CA 1 ATOM 3691 C C . LEU B 1 82 ? -20.688 -1.625 -13.881 1.00 13.66 ? 163 LEU B C 1 ATOM 3692 O O . LEU B 1 82 ? -21.270 -0.574 -13.593 1.00 13.60 ? 163 LEU B O 1 ATOM 3693 C CB . LEU B 1 82 ? -22.338 -2.926 -15.233 1.00 14.06 ? 163 LEU B CB 1 ATOM 3694 C CG . LEU B 1 82 ? -21.642 -2.697 -16.569 1.00 13.92 ? 163 LEU B CG 1 ATOM 3695 C CD1 . LEU B 1 82 ? -20.605 -3.779 -16.836 1.00 14.04 ? 163 LEU B CD1 1 ATOM 3696 C CD2 . LEU B 1 82 ? -22.675 -2.636 -17.683 1.00 14.27 ? 163 LEU B CD2 1 ATOM 3697 N N . GLY B 1 83 ? -19.380 -1.696 -14.094 1.00 13.58 ? 164 GLY B N 1 ATOM 3698 C CA . GLY B 1 83 ? -18.515 -0.528 -13.999 1.00 13.48 ? 164 GLY B CA 1 ATOM 3699 C C . GLY B 1 83 ? -17.865 -0.314 -12.647 1.00 13.63 ? 164 GLY B C 1 ATOM 3700 O O . GLY B 1 83 ? -17.021 0.575 -12.509 1.00 13.50 ? 164 GLY B O 1 ATOM 3701 N N . VAL B 1 84 ? -18.271 -1.088 -11.636 1.00 13.59 ? 165 VAL B N 1 ATOM 3702 C CA . VAL B 1 84 ? -17.562 -1.108 -10.361 1.00 13.68 ? 165 VAL B CA 1 ATOM 3703 C C . VAL B 1 84 ? -16.476 -2.174 -10.499 1.00 13.91 ? 165 VAL B C 1 ATOM 3704 O O . VAL B 1 84 ? -16.782 -3.359 -10.648 1.00 14.03 ? 165 VAL B O 1 ATOM 3705 C CB . VAL B 1 84 ? -18.489 -1.435 -9.164 1.00 13.79 ? 165 VAL B CB 1 ATOM 3706 C CG1 . VAL B 1 84 ? -17.689 -1.521 -7.869 1.00 13.93 ? 165 VAL B CG1 1 ATOM 3707 C CG2 . VAL B 1 84 ? -19.581 -0.387 -9.028 1.00 13.90 ? 165 VAL B CG2 1 ATOM 3708 N N . PRO B 1 85 ? -15.200 -1.757 -10.486 1.00 13.88 ? 166 PRO B N 1 ATOM 3709 C CA . PRO B 1 85 ? -14.145 -2.751 -10.663 1.00 13.99 ? 166 PRO B CA 1 ATOM 3710 C C . PRO B 1 85 ? -14.085 -3.709 -9.484 1.00 13.90 ? 166 PRO B C 1 ATOM 3711 O O . PRO B 1 85 ? -14.632 -3.422 -8.424 1.00 13.81 ? 166 PRO B O 1 ATOM 3712 C CB . PRO B 1 85 ? -12.868 -1.910 -10.771 1.00 14.11 ? 166 PRO B CB 1 ATOM 3713 C CG . PRO B 1 85 ? -13.184 -0.622 -10.120 1.00 14.28 ? 166 PRO B CG 1 ATOM 3714 C CD . PRO B 1 85 ? -14.674 -0.417 -10.181 1.00 14.03 ? 166 PRO B CD 1 ATOM 3715 N N . PHE B 1 86 ? -13.432 -4.847 -9.671 1.00 14.12 ? 167 PHE B N 1 ATOM 3716 C CA . PHE B 1 86 ? -13.425 -5.876 -8.638 1.00 14.25 ? 167 PHE B CA 1 ATOM 3717 C C . PHE B 1 86 ? -12.424 -5.539 -7.534 1.00 14.64 ? 167 PHE B C 1 ATOM 3718 O O . PHE B 1 86 ? -11.300 -6.045 -7.497 1.00 14.13 ? 167 PHE B O 1 ATOM 3719 C CB . PHE B 1 86 ? -13.168 -7.253 -9.251 1.00 14.31 ? 167 PHE B CB 1 ATOM 3720 C CG . PHE B 1 86 ? -14.253 -7.701 -10.183 1.00 14.21 ? 167 PHE B CG 1 ATOM 3721 C CD1 . PHE B 1 86 ? -15.560 -7.823 -9.736 1.00 14.41 ? 167 PHE B CD1 1 ATOM 3722 C CD2 . PHE B 1 86 ? -13.975 -8.007 -11.503 1.00 14.26 ? 167 PHE B CD2 1 ATOM 3723 C CE1 . PHE B 1 86 ? -16.565 -8.243 -10.584 1.00 14.31 ? 167 PHE B CE1 1 ATOM 3724 C CE2 . PHE B 1 86 ? -14.975 -8.425 -12.357 1.00 14.36 ? 167 PHE B CE2 1 ATOM 3725 C CZ . PHE B 1 86 ? -16.275 -8.547 -11.897 1.00 14.40 ? 167 PHE B CZ 1 ATOM 3726 N N . HIS B 1 87 ? -12.873 -4.667 -6.639 1.00 14.91 ? 168 HIS B N 1 ATOM 3727 C CA . HIS B 1 87 ? -12.102 -4.224 -5.482 1.00 15.41 ? 168 HIS B CA 1 ATOM 3728 C C . HIS B 1 87 ? -12.348 -5.200 -4.315 1.00 15.31 ? 168 HIS B C 1 ATOM 3729 O O . HIS B 1 87 ? -13.100 -6.162 -4.458 1.00 15.41 ? 168 HIS B O 1 ATOM 3730 C CB . HIS B 1 87 ? -12.503 -2.786 -5.122 1.00 15.90 ? 168 HIS B CB 1 ATOM 3731 C CG . HIS B 1 87 ? -13.950 -2.643 -4.771 1.00 16.31 ? 168 HIS B CG 1 ATOM 3732 N ND1 . HIS B 1 87 ? -14.400 -2.670 -3.473 1.00 16.83 ? 168 HIS B ND1 1 ATOM 3733 C CD2 . HIS B 1 87 ? -15.051 -2.510 -5.547 1.00 16.41 ? 168 HIS B CD2 1 ATOM 3734 C CE1 . HIS B 1 87 ? -15.716 -2.554 -3.460 1.00 17.02 ? 168 HIS B CE1 1 ATOM 3735 N NE2 . HIS B 1 87 ? -16.135 -2.457 -4.708 1.00 16.91 ? 168 HIS B NE2 1 ATOM 3736 N N . LEU B 1 88 ? -11.743 -4.953 -3.159 1.00 15.55 ? 169 LEU B N 1 ATOM 3737 C CA . LEU B 1 88 ? -11.803 -5.929 -2.046 1.00 15.87 ? 169 LEU B CA 1 ATOM 3738 C C . LEU B 1 88 ? -13.154 -6.040 -1.327 1.00 15.56 ? 169 LEU B C 1 ATOM 3739 O O . LEU B 1 88 ? -13.365 -6.962 -0.536 1.00 15.91 ? 169 LEU B O 1 ATOM 3740 C CB . LEU B 1 88 ? -10.686 -5.665 -1.037 1.00 16.56 ? 169 LEU B CB 1 ATOM 3741 C CG . LEU B 1 88 ? -9.298 -6.146 -1.481 1.00 17.30 ? 169 LEU B CG 1 ATOM 3742 C CD1 . LEU B 1 88 ? -8.241 -5.737 -0.462 1.00 18.06 ? 169 LEU B CD1 1 ATOM 3743 C CD2 . LEU B 1 88 ? -9.270 -7.649 -1.703 1.00 17.39 ? 169 LEU B CD2 1 ATOM 3744 N N . GLY B 1 89 ? -14.069 -5.119 -1.609 1.00 15.16 ? 170 GLY B N 1 ATOM 3745 C CA . GLY B 1 89 ? -15.439 -5.203 -1.101 1.00 15.10 ? 170 GLY B CA 1 ATOM 3746 C C . GLY B 1 89 ? -16.365 -5.988 -2.017 1.00 14.58 ? 170 GLY B C 1 ATOM 3747 O O . GLY B 1 89 ? -17.562 -6.085 -1.760 1.00 14.69 ? 170 GLY B O 1 ATOM 3748 N N . THR B 1 90 ? -15.815 -6.543 -3.091 1.00 14.27 ? 171 THR B N 1 ATOM 3749 C CA . THR B 1 90 ? -16.585 -7.375 -4.017 1.00 13.90 ? 171 THR B CA 1 ATOM 3750 C C . THR B 1 90 ? -17.077 -8.657 -3.348 1.00 13.88 ? 171 THR B C 1 ATOM 3751 O O . THR B 1 90 ? -16.316 -9.334 -2.663 1.00 13.49 ? 171 THR B O 1 ATOM 3752 C CB . THR B 1 90 ? -15.746 -7.748 -5.250 1.00 13.84 ? 171 THR B CB 1 ATOM 3753 O OG1 . THR B 1 90 ? -15.364 -6.556 -5.948 1.00 13.79 ? 171 THR B OG1 1 ATOM 3754 C CG2 . THR B 1 90 ? -16.527 -8.674 -6.183 1.00 13.74 ? 171 THR B CG2 1 ATOM 3755 N N . ARG B 1 91 ? -18.353 -8.982 -3.565 1.00 13.72 ? 172 ARG B N 1 ATOM 3756 C CA . ARG B 1 91 ? -18.931 -10.215 -3.043 1.00 14.09 ? 172 ARG B CA 1 ATOM 3757 C C . ARG B 1 91 ? -18.598 -11.416 -3.921 1.00 13.77 ? 172 ARG B C 1 ATOM 3758 O O . ARG B 1 91 ? -18.803 -11.394 -5.139 1.00 13.33 ? 172 ARG B O 1 ATOM 3759 C CB . ARG B 1 91 ? -20.450 -10.102 -2.904 1.00 14.65 ? 172 ARG B CB 1 ATOM 3760 C CG . ARG B 1 91 ? -21.080 -11.291 -2.189 1.00 15.36 ? 172 ARG B CG 1 ATOM 3761 C CD . ARG B 1 91 ? -22.536 -11.023 -1.852 1.00 16.30 ? 172 ARG B CD 1 ATOM 3762 N NE . ARG B 1 91 ? -23.334 -10.885 -3.069 1.00 17.11 ? 172 ARG B NE 1 ATOM 3763 C CZ . ARG B 1 91 ? -24.133 -11.817 -3.599 1.00 17.74 ? 172 ARG B CZ 1 ATOM 3764 N NH1 . ARG B 1 91 ? -24.783 -11.542 -4.726 1.00 18.58 ? 172 ARG B NH1 1 ATOM 3765 N NH2 . ARG B 1 91 ? -24.304 -13.008 -3.033 1.00 17.99 ? 172 ARG B NH2 1 ATOM 3766 N N . GLN B 1 92 ? -18.094 -12.459 -3.270 1.00 13.72 ? 173 GLN B N 1 ATOM 3767 C CA . GLN B 1 92 ? -17.888 -13.758 -3.881 1.00 13.91 ? 173 GLN B CA 1 ATOM 3768 C C . GLN B 1 92 ? -19.177 -14.558 -3.696 1.00 14.59 ? 173 GLN B C 1 ATOM 3769 O O . GLN B 1 92 ? -19.494 -15.002 -2.591 1.00 14.92 ? 173 GLN B O 1 ATOM 3770 C CB . GLN B 1 92 ? -16.707 -14.465 -3.224 1.00 13.71 ? 173 GLN B CB 1 ATOM 3771 C CG . GLN B 1 92 ? -15.404 -13.687 -3.333 1.00 13.45 ? 173 GLN B CG 1 ATOM 3772 C CD . GLN B 1 92 ? -14.291 -14.278 -2.493 1.00 13.49 ? 173 GLN B CD 1 ATOM 3773 O OE1 . GLN B 1 92 ? -13.605 -15.204 -2.920 1.00 13.14 ? 173 GLN B OE1 1 ATOM 3774 N NE2 . GLN B 1 92 ? -14.103 -13.736 -1.290 1.00 13.49 ? 173 GLN B NE2 1 ATOM 3775 N N . VAL B 1 93 ? -19.910 -14.716 -4.790 1.00 14.99 ? 174 VAL B N 1 ATOM 3776 C CA . VAL B 1 93 ? -21.276 -15.233 -4.784 1.00 15.67 ? 174 VAL B CA 1 ATOM 3777 C C . VAL B 1 93 ? -21.357 -16.745 -4.540 1.00 15.80 ? 174 VAL B C 1 ATOM 3778 O O . VAL B 1 93 ? -22.352 -17.242 -4.003 1.00 16.46 ? 174 VAL B O 1 ATOM 3779 C CB . VAL B 1 93 ? -21.953 -14.878 -6.129 1.00 16.47 ? 174 VAL B CB 1 ATOM 3780 C CG1 . VAL B 1 93 ? -23.292 -15.568 -6.284 1.00 17.38 ? 174 VAL B CG1 1 ATOM 3781 C CG2 . VAL B 1 93 ? -22.104 -13.362 -6.246 1.00 16.58 ? 174 VAL B CG2 1 ATOM 3782 N N . CYS B 1 94 ? -20.331 -17.465 -4.976 1.00 15.38 ? 175 CYS B N 1 ATOM 3783 C CA . CYS B 1 94 ? -20.252 -18.906 -4.832 1.00 15.43 ? 175 CYS B CA 1 ATOM 3784 C C . CYS B 1 94 ? -18.846 -19.366 -5.210 1.00 14.91 ? 175 CYS B C 1 ATOM 3785 O O . CYS B 1 94 ? -18.032 -18.576 -5.703 1.00 14.80 ? 175 CYS B O 1 ATOM 3786 C CB . CYS B 1 94 ? -21.261 -19.588 -5.744 1.00 15.90 ? 175 CYS B CB 1 ATOM 3787 S SG . CYS B 1 94 ? -20.982 -19.193 -7.481 1.00 16.27 ? 175 CYS B SG 1 ATOM 3788 N N . ILE B 1 95 ? -18.577 -20.644 -4.980 1.00 14.33 ? 176 ILE B N 1 ATOM 3789 C CA . ILE B 1 95 ? -17.320 -21.251 -5.371 1.00 14.06 ? 176 ILE B CA 1 ATOM 3790 C C . ILE B 1 95 ? -17.488 -21.751 -6.803 1.00 14.01 ? 176 ILE B C 1 ATOM 3791 O O . ILE B 1 95 ? -18.419 -22.504 -7.092 1.00 14.22 ? 176 ILE B O 1 ATOM 3792 C CB . ILE B 1 95 ? -16.942 -22.422 -4.448 1.00 14.14 ? 176 ILE B CB 1 ATOM 3793 C CG1 . ILE B 1 95 ? -17.051 -22.021 -2.969 1.00 14.27 ? 176 ILE B CG1 1 ATOM 3794 C CG2 . ILE B 1 95 ? -15.526 -22.899 -4.758 1.00 14.11 ? 176 ILE B CG2 1 ATOM 3795 C CD1 . ILE B 1 95 ? -16.713 -23.150 -2.016 1.00 14.56 ? 176 ILE B CD1 1 ATOM 3796 N N . ALA B 1 96 ? -16.591 -21.349 -7.701 1.00 13.60 ? 177 ALA B N 1 ATOM 3797 C CA . ALA B 1 96 ? -16.772 -21.658 -9.124 1.00 13.33 ? 177 ALA B CA 1 ATOM 3798 C C . ALA B 1 96 ? -15.516 -21.474 -9.957 1.00 13.17 ? 177 ALA B C 1 ATOM 3799 O O . ALA B 1 96 ? -14.890 -20.407 -9.902 1.00 13.01 ? 177 ALA B O 1 ATOM 3800 C CB . ALA B 1 96 ? -17.879 -20.794 -9.703 1.00 13.19 ? 177 ALA B CB 1 ATOM 3801 N N . TRP B 1 97 ? -15.159 -22.506 -10.729 1.00 13.12 ? 178 TRP B N 1 ATOM 3802 C CA . TRP B 1 97 ? -14.221 -22.338 -11.841 1.00 13.12 ? 178 TRP B CA 1 ATOM 3803 C C . TRP B 1 97 ? -14.916 -22.399 -13.213 1.00 13.19 ? 178 TRP B C 1 ATOM 3804 O O . TRP B 1 97 ? -14.258 -22.350 -14.251 1.00 13.17 ? 178 TRP B O 1 ATOM 3805 C CB . TRP B 1 97 ? -13.000 -23.279 -11.742 1.00 13.29 ? 178 TRP B CB 1 ATOM 3806 C CG . TRP B 1 97 ? -13.218 -24.744 -11.422 1.00 13.35 ? 178 TRP B CG 1 ATOM 3807 C CD1 . TRP B 1 97 ? -12.767 -25.406 -10.312 1.00 13.47 ? 178 TRP B CD1 1 ATOM 3808 C CD2 . TRP B 1 97 ? -13.857 -25.737 -12.243 1.00 13.30 ? 178 TRP B CD2 1 ATOM 3809 N NE1 . TRP B 1 97 ? -13.098 -26.734 -10.382 1.00 13.66 ? 178 TRP B NE1 1 ATOM 3810 C CE2 . TRP B 1 97 ? -13.769 -26.968 -11.553 1.00 13.51 ? 178 TRP B CE2 1 ATOM 3811 C CE3 . TRP B 1 97 ? -14.500 -25.706 -13.485 1.00 13.29 ? 178 TRP B CE3 1 ATOM 3812 C CZ2 . TRP B 1 97 ? -14.310 -28.155 -12.061 1.00 13.59 ? 178 TRP B CZ2 1 ATOM 3813 C CZ3 . TRP B 1 97 ? -15.041 -26.885 -13.990 1.00 13.49 ? 178 TRP B CZ3 1 ATOM 3814 C CH2 . TRP B 1 97 ? -14.941 -28.094 -13.275 1.00 13.55 ? 178 TRP B CH2 1 ATOM 3815 N N . SER B 1 98 ? -16.248 -22.508 -13.200 1.00 12.96 ? 179 SER B N 1 ATOM 3816 C CA . SER B 1 98 ? -17.091 -22.314 -14.377 1.00 12.87 ? 179 SER B CA 1 ATOM 3817 C C . SER B 1 98 ? -18.450 -21.866 -13.837 1.00 12.89 ? 179 SER B C 1 ATOM 3818 O O . SER B 1 98 ? -18.867 -22.334 -12.772 1.00 12.68 ? 179 SER B O 1 ATOM 3819 C CB . SER B 1 98 ? -17.215 -23.613 -15.191 1.00 12.85 ? 179 SER B CB 1 ATOM 3820 O OG . SER B 1 98 ? -18.014 -23.430 -16.350 1.00 12.76 ? 179 SER B OG 1 ATOM 3821 N N . SER B 1 99 ? -19.118 -20.938 -14.525 1.00 12.77 ? 180 SER B N 1 ATOM 3822 C CA . SER B 1 99 ? -20.398 -20.417 -14.031 1.00 12.91 ? 180 SER B CA 1 ATOM 3823 C C . SER B 1 99 ? -21.334 -19.862 -15.091 1.00 12.97 ? 180 SER B C 1 ATOM 3824 O O . SER B 1 99 ? -20.956 -19.648 -16.240 1.00 12.91 ? 180 SER B O 1 ATOM 3825 C CB . SER B 1 99 ? -20.165 -19.311 -12.996 1.00 12.87 ? 180 SER B CB 1 ATOM 3826 O OG . SER B 1 99 ? -19.940 -18.056 -13.626 1.00 12.97 ? 180 SER B OG 1 ATOM 3827 N N . SER B 1 100 ? -22.570 -19.622 -14.658 1.00 13.22 ? 181 SER B N 1 ATOM 3828 C CA . SER B 1 100 ? -23.562 -18.896 -15.429 1.00 13.33 ? 181 SER B CA 1 ATOM 3829 C C . SER B 1 100 ? -24.500 -18.269 -14.403 1.00 13.43 ? 181 SER B C 1 ATOM 3830 O O . SER B 1 100 ? -24.717 -18.854 -13.343 1.00 13.43 ? 181 SER B O 1 ATOM 3831 C CB . SER B 1 100 ? -24.320 -19.846 -16.357 1.00 13.83 ? 181 SER B CB 1 ATOM 3832 O OG . SER B 1 100 ? -25.302 -19.159 -17.113 1.00 13.89 ? 181 SER B OG 1 ATOM 3833 N N . SER B 1 101 ? -25.011 -17.073 -14.688 1.00 13.32 ? 182 SER B N 1 ATOM 3834 C CA . SER B 1 101 ? -25.985 -16.422 -13.810 1.00 13.60 ? 182 SER B CA 1 ATOM 3835 C C . SER B 1 101 ? -27.093 -15.759 -14.617 1.00 14.01 ? 182 SER B C 1 ATOM 3836 O O . SER B 1 101 ? -26.894 -15.368 -15.768 1.00 13.95 ? 182 SER B O 1 ATOM 3837 C CB . SER B 1 101 ? -25.323 -15.360 -12.928 1.00 13.55 ? 182 SER B CB 1 ATOM 3838 O OG . SER B 1 101 ? -24.230 -15.881 -12.189 1.00 13.61 ? 182 SER B OG 1 ATOM 3839 N N . CYS B 1 102 ? -28.266 -15.641 -14.008 1.00 14.56 ? 183 CYS B N 1 ATOM 3840 C CA . CYS B 1 102 ? -29.385 -14.950 -14.644 1.00 15.17 ? 183 CYS B CA 1 ATOM 3841 C C . CYS B 1 102 ? -30.472 -14.626 -13.628 1.00 15.28 ? 183 CYS B C 1 ATOM 3842 O O . CYS B 1 102 ? -30.590 -15.288 -12.599 1.00 15.30 ? 183 CYS B O 1 ATOM 3843 C CB . CYS B 1 102 ? -29.962 -15.765 -15.815 1.00 15.71 ? 183 CYS B CB 1 ATOM 3844 S SG . CYS B 1 102 ? -30.351 -17.501 -15.466 1.00 16.36 ? 183 CYS B SG 1 ATOM 3845 N N . HIS B 1 103 ? -31.236 -13.584 -13.934 1.00 15.53 ? 184 HIS B N 1 ATOM 3846 C CA . HIS B 1 103 ? -32.305 -13.091 -13.078 1.00 15.81 ? 184 HIS B CA 1 ATOM 3847 C C . HIS B 1 103 ? -33.616 -13.412 -13.780 1.00 16.17 ? 184 HIS B C 1 ATOM 3848 O O . HIS B 1 103 ? -33.770 -13.119 -14.961 1.00 16.14 ? 184 HIS B O 1 ATOM 3849 C CB . HIS B 1 103 ? -32.152 -11.582 -12.873 1.00 15.84 ? 184 HIS B CB 1 ATOM 3850 C CG . HIS B 1 103 ? -32.921 -11.042 -11.706 1.00 16.12 ? 184 HIS B CG 1 ATOM 3851 N ND1 . HIS B 1 103 ? -34.245 -10.670 -11.791 1.00 16.63 ? 184 HIS B ND1 1 ATOM 3852 C CD2 . HIS B 1 103 ? -32.547 -10.800 -10.428 1.00 16.13 ? 184 HIS B CD2 1 ATOM 3853 C CE1 . HIS B 1 103 ? -34.655 -10.225 -10.616 1.00 16.69 ? 184 HIS B CE1 1 ATOM 3854 N NE2 . HIS B 1 103 ? -33.641 -10.293 -9.771 1.00 16.47 ? 184 HIS B NE2 1 ATOM 3855 N N . ASP B 1 104 ? -34.554 -14.017 -13.059 1.00 16.61 ? 185 ASP B N 1 ATOM 3856 C CA . ASP B 1 104 ? -35.816 -14.458 -13.664 1.00 17.21 ? 185 ASP B CA 1 ATOM 3857 C C . ASP B 1 104 ? -36.948 -13.427 -13.552 1.00 17.84 ? 185 ASP B C 1 ATOM 3858 O O . ASP B 1 104 ? -38.094 -13.719 -13.890 1.00 18.92 ? 185 ASP B O 1 ATOM 3859 C CB . ASP B 1 104 ? -36.254 -15.799 -13.062 1.00 17.23 ? 185 ASP B CB 1 ATOM 3860 C CG . ASP B 1 104 ? -36.638 -15.701 -11.591 1.00 17.18 ? 185 ASP B CG 1 ATOM 3861 O OD1 . ASP B 1 104 ? -36.657 -14.588 -11.030 1.00 17.26 ? 185 ASP B OD1 1 ATOM 3862 O OD2 . ASP B 1 104 ? -36.934 -16.758 -11.001 1.00 17.50 ? 185 ASP B OD2 1 ATOM 3863 N N . GLY B 1 105 ? -36.615 -12.225 -13.093 1.00 17.94 ? 186 GLY B N 1 ATOM 3864 C CA . GLY B 1 105 ? -37.597 -11.176 -12.812 1.00 18.58 ? 186 GLY B CA 1 ATOM 3865 C C . GLY B 1 105 ? -37.846 -11.005 -11.325 1.00 18.88 ? 186 GLY B C 1 ATOM 3866 O O . GLY B 1 105 ? -38.206 -9.915 -10.876 1.00 19.26 ? 186 GLY B O 1 ATOM 3867 N N . LYS B 1 106 ? -37.634 -12.077 -10.561 1.00 19.05 ? 187 LYS B N 1 ATOM 3868 C CA . LYS B 1 106 ? -37.835 -12.073 -9.111 1.00 19.33 ? 187 LYS B CA 1 ATOM 3869 C C . LYS B 1 106 ? -36.524 -12.198 -8.342 1.00 18.62 ? 187 LYS B C 1 ATOM 3870 O O . LYS B 1 106 ? -36.337 -11.525 -7.330 1.00 18.75 ? 187 LYS B O 1 ATOM 3871 C CB . LYS B 1 106 ? -38.765 -13.216 -8.708 1.00 20.10 ? 187 LYS B CB 1 ATOM 3872 C CG . LYS B 1 106 ? -40.165 -13.084 -9.274 1.00 21.22 ? 187 LYS B CG 1 ATOM 3873 C CD . LYS B 1 106 ? -41.119 -14.086 -8.647 1.00 22.30 ? 187 LYS B CD 1 ATOM 3874 C CE . LYS B 1 106 ? -42.492 -13.986 -9.290 1.00 23.30 ? 187 LYS B CE 1 ATOM 3875 N NZ . LYS B 1 106 ? -43.436 -14.951 -8.681 1.00 24.16 ? 187 LYS B NZ 1 ATOM 3876 N N . ALA B 1 107 ? -35.624 -13.061 -8.809 1.00 17.82 ? 188 ALA B N 1 ATOM 3877 C CA . ALA B 1 107 ? -34.369 -13.305 -8.096 1.00 17.22 ? 188 ALA B CA 1 ATOM 3878 C C . ALA B 1 107 ? -33.265 -13.839 -8.998 1.00 16.59 ? 188 ALA B C 1 ATOM 3879 O O . ALA B 1 107 ? -33.517 -14.265 -10.130 1.00 16.26 ? 188 ALA B O 1 ATOM 3880 C CB . ALA B 1 107 ? -34.609 -14.264 -6.931 1.00 17.54 ? 188 ALA B CB 1 ATOM 3881 N N . TRP B 1 108 ? -32.041 -13.799 -8.478 1.00 15.84 ? 189 TRP B N 1 ATOM 3882 C CA . TRP B 1 108 ? -30.870 -14.305 -9.186 1.00 15.55 ? 189 TRP B CA 1 ATOM 3883 C C . TRP B 1 108 ? -30.716 -15.809 -9.027 1.00 15.19 ? 189 TRP B C 1 ATOM 3884 O O . TRP B 1 108 ? -30.815 -16.332 -7.914 1.00 15.00 ? 189 TRP B O 1 ATOM 3885 C CB . TRP B 1 108 ? -29.589 -13.636 -8.669 1.00 15.39 ? 189 TRP B CB 1 ATOM 3886 C CG . TRP B 1 108 ? -29.403 -12.264 -9.178 1.00 15.50 ? 189 TRP B CG 1 ATOM 3887 C CD1 . TRP B 1 108 ? -29.656 -11.097 -8.521 1.00 15.81 ? 189 TRP B CD1 1 ATOM 3888 C CD2 . TRP B 1 108 ? -28.939 -11.906 -10.479 1.00 15.51 ? 189 TRP B CD2 1 ATOM 3889 N NE1 . TRP B 1 108 ? -29.370 -10.024 -9.342 1.00 15.90 ? 189 TRP B NE1 1 ATOM 3890 C CE2 . TRP B 1 108 ? -28.931 -10.497 -10.549 1.00 15.45 ? 189 TRP B CE2 1 ATOM 3891 C CE3 . TRP B 1 108 ? -28.521 -12.642 -11.593 1.00 15.29 ? 189 TRP B CE3 1 ATOM 3892 C CZ2 . TRP B 1 108 ? -28.524 -9.810 -11.691 1.00 15.52 ? 189 TRP B CZ2 1 ATOM 3893 C CZ3 . TRP B 1 108 ? -28.116 -11.958 -12.729 1.00 15.52 ? 189 TRP B CZ3 1 ATOM 3894 C CH2 . TRP B 1 108 ? -28.123 -10.556 -12.768 1.00 15.50 ? 189 TRP B CH2 1 ATOM 3895 N N . LEU B 1 109 ? -30.462 -16.477 -10.151 1.00 14.89 ? 190 LEU B N 1 ATOM 3896 C CA . LEU B 1 109 ? -29.945 -17.840 -10.188 1.00 14.74 ? 190 LEU B CA 1 ATOM 3897 C C . LEU B 1 109 ? -28.452 -17.787 -10.508 1.00 14.57 ? 190 LEU B C 1 ATOM 3898 O O . LEU B 1 109 ? -28.036 -17.068 -11.425 1.00 14.50 ? 190 LEU B O 1 ATOM 3899 C CB . LEU B 1 109 ? -30.648 -18.654 -11.278 1.00 14.70 ? 190 LEU B CB 1 ATOM 3900 C CG . LEU B 1 109 ? -30.117 -20.067 -11.547 1.00 14.63 ? 190 LEU B CG 1 ATOM 3901 C CD1 . LEU B 1 109 ? -30.460 -20.998 -10.396 1.00 14.90 ? 190 LEU B CD1 1 ATOM 3902 C CD2 . LEU B 1 109 ? -30.647 -20.613 -12.860 1.00 14.71 ? 190 LEU B CD2 1 ATOM 3903 N N . HIS B 1 110 ? -27.656 -18.544 -9.752 1.00 14.66 ? 191 HIS B N 1 ATOM 3904 C CA . HIS B 1 110 ? -26.246 -18.760 -10.060 1.00 14.45 ? 191 HIS B CA 1 ATOM 3905 C C . HIS B 1 110 ? -25.970 -20.244 -10.202 1.00 14.61 ? 191 HIS B C 1 ATOM 3906 O O . HIS B 1 110 ? -26.369 -21.041 -9.352 1.00 14.72 ? 191 HIS B O 1 ATOM 3907 C CB . HIS B 1 110 ? -25.335 -18.182 -8.973 1.00 14.42 ? 191 HIS B CB 1 ATOM 3908 C CG . HIS B 1 110 ? -25.598 -16.742 -8.672 1.00 14.46 ? 191 HIS B CG 1 ATOM 3909 N ND1 . HIS B 1 110 ? -25.233 -15.725 -9.528 1.00 14.40 ? 191 HIS B ND1 1 ATOM 3910 C CD2 . HIS B 1 110 ? -26.199 -16.148 -7.617 1.00 14.76 ? 191 HIS B CD2 1 ATOM 3911 C CE1 . HIS B 1 110 ? -25.598 -14.567 -9.012 1.00 14.44 ? 191 HIS B CE1 1 ATOM 3912 N NE2 . HIS B 1 110 ? -26.185 -14.794 -7.852 1.00 14.64 ? 191 HIS B NE2 1 ATOM 3913 N N . VAL B 1 111 ? -25.275 -20.601 -11.278 1.00 14.64 ? 192 VAL B N 1 ATOM 3914 C CA . VAL B 1 111 ? -24.840 -21.968 -11.532 1.00 14.87 ? 192 VAL B CA 1 ATOM 3915 C C . VAL B 1 111 ? -23.327 -21.967 -11.361 1.00 14.94 ? 192 VAL B C 1 ATOM 3916 O O . VAL B 1 111 ? -22.623 -21.304 -12.122 1.00 14.45 ? 192 VAL B O 1 ATOM 3917 C CB . VAL B 1 111 ? -25.226 -22.415 -12.953 1.00 15.15 ? 192 VAL B CB 1 ATOM 3918 C CG1 . VAL B 1 111 ? -24.813 -23.859 -13.208 1.00 15.45 ? 192 VAL B CG1 1 ATOM 3919 C CG2 . VAL B 1 111 ? -26.723 -22.241 -13.161 1.00 15.30 ? 192 VAL B CG2 1 ATOM 3920 N N . CYS B 1 112 ? -22.848 -22.690 -10.349 1.00 14.91 ? 193 CYS B N 1 ATOM 3921 C CA . CYS B 1 112 ? -21.459 -22.613 -9.916 1.00 15.17 ? 193 CYS B CA 1 ATOM 3922 C C . CYS B 1 112 ? -20.828 -23.994 -9.874 1.00 14.94 ? 193 CYS B C 1 ATOM 3923 O O . CYS B 1 112 ? -21.295 -24.871 -9.145 1.00 14.97 ? 193 CYS B O 1 ATOM 3924 C CB . CYS B 1 112 ? -21.410 -21.986 -8.527 1.00 15.62 ? 193 CYS B CB 1 ATOM 3925 S SG . CYS B 1 112 ? -22.273 -20.399 -8.465 1.00 16.71 ? 193 CYS B SG 1 ATOM 3926 N N . ILE B 1 113 ? -19.756 -24.183 -10.640 1.00 14.65 ? 194 ILE B N 1 ATOM 3927 C CA . ILE B 1 113 ? -19.126 -25.489 -10.746 1.00 14.69 ? 194 ILE B CA 1 ATOM 3928 C C . ILE B 1 113 ? -17.722 -25.446 -10.161 1.00 14.56 ? 194 ILE B C 1 ATOM 3929 O O . ILE B 1 113 ? -16.935 -24.561 -10.496 1.00 14.10 ? 194 ILE B O 1 ATOM 3930 C CB . ILE B 1 113 ? -19.060 -25.978 -12.206 1.00 14.92 ? 194 ILE B CB 1 ATOM 3931 C CG1 . ILE B 1 113 ? -20.459 -25.967 -12.830 1.00 14.95 ? 194 ILE B CG1 1 ATOM 3932 C CG2 . ILE B 1 113 ? -18.443 -27.374 -12.257 1.00 15.25 ? 194 ILE B CG2 1 ATOM 3933 C CD1 . ILE B 1 113 ? -20.486 -26.174 -14.332 1.00 14.93 ? 194 ILE B CD1 1 ATOM 3934 N N . THR B 1 114 ? -17.423 -26.403 -9.284 1.00 14.44 ? 195 THR B N 1 ATOM 3935 C CA . THR B 1 114 ? -16.107 -26.492 -8.662 1.00 14.47 ? 195 THR B CA 1 ATOM 3936 C C . THR B 1 114 ? -15.772 -27.942 -8.314 1.00 14.89 ? 195 THR B C 1 ATOM 3937 O O . THR B 1 114 ? -16.590 -28.843 -8.517 1.00 15.35 ? 195 THR B O 1 ATOM 3938 C CB . THR B 1 114 ? -16.013 -25.589 -7.407 1.00 14.21 ? 195 THR B CB 1 ATOM 3939 O OG1 . THR B 1 114 ? -14.658 -25.538 -6.932 1.00 14.10 ? 195 THR B OG1 1 ATOM 3940 C CG2 . THR B 1 114 ? -16.942 -26.081 -6.294 1.00 14.29 ? 195 THR B CG2 1 ATOM 3941 N N . GLY B 1 115 ? -14.563 -28.153 -7.808 1.00 14.95 ? 196 GLY B N 1 ATOM 3942 C CA . GLY B 1 115 ? -14.102 -29.473 -7.396 1.00 15.50 ? 196 GLY B CA 1 ATOM 3943 C C . GLY B 1 115 ? -13.194 -30.151 -8.403 1.00 15.74 ? 196 GLY B C 1 ATOM 3944 O O . GLY B 1 115 ? -12.681 -29.508 -9.327 1.00 15.44 ? 196 GLY B O 1 ATOM 3945 N N . ASP B 1 116 ? -13.006 -31.457 -8.216 1.00 16.16 ? 197 ASP B N 1 ATOM 3946 C CA . ASP B 1 116 ? -12.096 -32.267 -9.037 1.00 16.72 ? 197 ASP B CA 1 ATOM 3947 C C . ASP B 1 116 ? -12.509 -32.326 -10.505 1.00 16.71 ? 197 ASP B C 1 ATOM 3948 O O . ASP B 1 116 ? -13.704 -32.419 -10.823 1.00 16.09 ? 197 ASP B O 1 ATOM 3949 C CB . ASP B 1 116 ? -12.034 -33.705 -8.504 1.00 17.36 ? 197 ASP B CB 1 ATOM 3950 C CG . ASP B 1 116 ? -11.386 -33.810 -7.133 1.00 17.90 ? 197 ASP B CG 1 ATOM 3951 O OD1 . ASP B 1 116 ? -10.590 -32.929 -6.755 1.00 18.37 ? 197 ASP B OD1 1 ATOM 3952 O OD2 . ASP B 1 116 ? -11.679 -34.796 -6.431 1.00 18.81 ? 197 ASP B OD2 1 ATOM 3953 N N . ASP B 1 117 ? -11.520 -32.295 -11.398 1.00 17.05 ? 198 ASP B N 1 ATOM 3954 C CA . ASP B 1 117 ? -11.771 -32.392 -12.846 1.00 17.64 ? 198 ASP B CA 1 ATOM 3955 C C . ASP B 1 117 ? -12.651 -33.577 -13.215 1.00 18.29 ? 198 ASP B C 1 ATOM 3956 O O . ASP B 1 117 ? -13.572 -33.446 -14.019 1.00 18.19 ? 198 ASP B O 1 ATOM 3957 C CB . ASP B 1 117 ? -10.456 -32.531 -13.613 1.00 18.09 ? 198 ASP B CB 1 ATOM 3958 C CG . ASP B 1 117 ? -9.727 -31.219 -13.763 1.00 18.34 ? 198 ASP B CG 1 ATOM 3959 O OD1 . ASP B 1 117 ? -10.185 -30.195 -13.215 1.00 18.51 ? 198 ASP B OD1 1 ATOM 3960 O OD2 . ASP B 1 117 ? -8.681 -31.214 -14.440 1.00 18.94 ? 198 ASP B OD2 1 ATOM 3961 N N . LYS B 1 118 ? -12.361 -34.734 -12.629 1.00 19.11 ? 199 LYS B N 1 ATOM 3962 C CA . LYS B 1 118 ? -13.078 -35.959 -12.972 1.00 20.07 ? 199 LYS B CA 1 ATOM 3963 C C . LYS B 1 118 ? -14.351 -36.192 -12.159 1.00 19.23 ? 199 LYS B C 1 ATOM 3964 O O . LYS B 1 118 ? -15.029 -37.198 -12.354 1.00 19.11 ? 199 LYS B O 1 ATOM 3965 C CB . LYS B 1 118 ? -12.137 -37.161 -12.865 1.00 21.95 ? 199 LYS B CB 1 ATOM 3966 C CG . LYS B 1 118 ? -11.042 -37.099 -13.916 1.00 23.77 ? 199 LYS B CG 1 ATOM 3967 C CD . LYS B 1 118 ? -10.292 -38.406 -14.076 1.00 26.04 ? 199 LYS B CD 1 ATOM 3968 C CE . LYS B 1 118 ? -8.930 -38.370 -13.414 1.00 27.73 ? 199 LYS B CE 1 ATOM 3969 N NZ . LYS B 1 118 ? -8.071 -39.447 -13.969 1.00 29.45 ? 199 LYS B NZ 1 ATOM 3970 N N . ASN B 1 119 ? -14.694 -35.267 -11.267 1.00 18.10 ? 200 ASN B N 1 ATOM 3971 C CA . ASN B 1 119 ? -15.851 -35.468 -10.403 1.00 17.73 ? 200 ASN B CA 1 ATOM 3972 C C . ASN B 1 119 ? -16.310 -34.131 -9.815 1.00 16.88 ? 200 ASN B C 1 ATOM 3973 O O . ASN B 1 119 ? -16.341 -33.948 -8.600 1.00 16.82 ? 200 ASN B O 1 ATOM 3974 C CB . ASN B 1 119 ? -15.481 -36.475 -9.301 1.00 18.05 ? 200 ASN B CB 1 ATOM 3975 C CG . ASN B 1 119 ? -16.667 -37.289 -8.799 1.00 18.60 ? 200 ASN B CG 1 ATOM 3976 O OD1 . ASN B 1 119 ? -17.788 -37.183 -9.300 1.00 18.21 ? 200 ASN B OD1 1 ATOM 3977 N ND2 . ASN B 1 119 ? -16.407 -38.118 -7.793 1.00 19.26 ? 200 ASN B ND2 1 ATOM 3978 N N . ALA B 1 120 ? -16.642 -33.194 -10.694 1.00 16.17 ? 201 ALA B N 1 ATOM 3979 C CA . ALA B 1 120 ? -17.023 -31.840 -10.277 1.00 15.88 ? 201 ALA B CA 1 ATOM 3980 C C . ALA B 1 120 ? -18.455 -31.787 -9.749 1.00 15.73 ? 201 ALA B C 1 ATOM 3981 O O . ALA B 1 120 ? -19.239 -32.718 -9.939 1.00 15.89 ? 201 ALA B O 1 ATOM 3982 C CB . ALA B 1 120 ? -16.858 -30.866 -11.435 1.00 15.74 ? 201 ALA B CB 1 ATOM 3983 N N . THR B 1 121 ? -18.779 -30.684 -9.082 1.00 15.45 ? 202 THR B N 1 ATOM 3984 C CA . THR B 1 121 ? -20.116 -30.438 -8.562 1.00 15.37 ? 202 THR B CA 1 ATOM 3985 C C . THR B 1 121 ? -20.619 -29.103 -9.085 1.00 15.06 ? 202 THR B C 1 ATOM 3986 O O . THR B 1 121 ? -19.904 -28.097 -9.000 1.00 14.78 ? 202 THR B O 1 ATOM 3987 C CB . THR B 1 121 ? -20.116 -30.352 -7.020 1.00 15.49 ? 202 THR B CB 1 ATOM 3988 O OG1 . THR B 1 121 ? -19.543 -31.541 -6.459 1.00 15.65 ? 202 THR B OG1 1 ATOM 3989 C CG2 . THR B 1 121 ? -21.537 -30.164 -6.486 1.00 15.72 ? 202 THR B CG2 1 ATOM 3990 N N . ALA B 1 122 ? -21.842 -29.099 -9.611 1.00 14.98 ? 203 ALA B N 1 ATOM 3991 C CA . ALA B 1 122 ? -22.540 -27.866 -9.965 1.00 14.90 ? 203 ALA B CA 1 ATOM 3992 C C . ALA B 1 122 ? -23.551 -27.551 -8.872 1.00 14.80 ? 203 ALA B C 1 ATOM 3993 O O . ALA B 1 122 ? -24.401 -28.385 -8.569 1.00 15.09 ? 203 ALA B O 1 ATOM 3994 C CB . ALA B 1 122 ? -23.237 -28.010 -11.309 1.00 15.09 ? 203 ALA B CB 1 ATOM 3995 N N . SER B 1 123 ? -23.427 -26.375 -8.256 1.00 14.54 ? 204 SER B N 1 ATOM 3996 C CA . SER B 1 123 ? -24.388 -25.904 -7.252 1.00 14.75 ? 204 SER B CA 1 ATOM 3997 C C . SER B 1 123 ? -25.334 -24.916 -7.915 1.00 14.67 ? 204 SER B C 1 ATOM 3998 O O . SER B 1 123 ? -24.899 -24.092 -8.725 1.00 14.26 ? 204 SER B O 1 ATOM 3999 C CB . SER B 1 123 ? -23.668 -25.213 -6.086 1.00 14.73 ? 204 SER B CB 1 ATOM 4000 O OG . SER B 1 123 ? -22.899 -26.125 -5.324 1.00 14.56 ? 204 SER B OG 1 ATOM 4001 N N . PHE B 1 124 ? -26.619 -24.998 -7.565 1.00 14.91 ? 205 PHE B N 1 ATOM 4002 C CA . PHE B 1 124 ? -27.635 -24.080 -8.071 1.00 14.88 ? 205 PHE B CA 1 ATOM 4003 C C . PHE B 1 124 ? -28.167 -23.249 -6.915 1.00 15.07 ? 205 PHE B C 1 ATOM 4004 O O . PHE B 1 124 ? -28.817 -23.766 -6.009 1.00 14.81 ? 205 PHE B O 1 ATOM 4005 C CB . PHE B 1 124 ? -28.754 -24.861 -8.767 1.00 14.97 ? 205 PHE B CB 1 ATOM 4006 C CG . PHE B 1 124 ? -28.264 -25.653 -9.937 1.00 14.81 ? 205 PHE B CG 1 ATOM 4007 C CD1 . PHE B 1 124 ? -27.670 -26.892 -9.747 1.00 15.01 ? 205 PHE B CD1 1 ATOM 4008 C CD2 . PHE B 1 124 ? -28.326 -25.135 -11.215 1.00 14.65 ? 205 PHE B CD2 1 ATOM 4009 C CE1 . PHE B 1 124 ? -27.181 -27.617 -10.818 1.00 14.99 ? 205 PHE B CE1 1 ATOM 4010 C CE2 . PHE B 1 124 ? -27.845 -25.857 -12.291 1.00 14.84 ? 205 PHE B CE2 1 ATOM 4011 C CZ . PHE B 1 124 ? -27.265 -27.096 -12.091 1.00 14.85 ? 205 PHE B CZ 1 ATOM 4012 N N . ILE B 1 125 ? -27.833 -21.960 -6.947 1.00 14.96 ? 206 ILE B N 1 ATOM 4013 C CA . ILE B 1 125 ? -28.139 -21.036 -5.877 1.00 15.36 ? 206 ILE B CA 1 ATOM 4014 C C . ILE B 1 125 ? -29.177 -20.058 -6.409 1.00 15.58 ? 206 ILE B C 1 ATOM 4015 O O . ILE B 1 125 ? -28.968 -19.425 -7.450 1.00 15.73 ? 206 ILE B O 1 ATOM 4016 C CB . ILE B 1 125 ? -26.859 -20.313 -5.403 1.00 15.58 ? 206 ILE B CB 1 ATOM 4017 C CG1 . ILE B 1 125 ? -25.912 -21.331 -4.751 1.00 15.86 ? 206 ILE B CG1 1 ATOM 4018 C CG2 . ILE B 1 125 ? -27.188 -19.180 -4.434 1.00 15.91 ? 206 ILE B CG2 1 ATOM 4019 C CD1 . ILE B 1 125 ? -24.496 -20.837 -4.568 1.00 16.10 ? 206 ILE B CD1 1 ATOM 4020 N N . TYR B 1 126 ? -30.304 -19.960 -5.713 1.00 15.59 ? 207 TYR B N 1 ATOM 4021 C CA . TYR B 1 126 ? -31.404 -19.106 -6.146 1.00 15.92 ? 207 TYR B CA 1 ATOM 4022 C C . TYR B 1 126 ? -31.913 -18.298 -4.966 1.00 16.31 ? 207 TYR B C 1 ATOM 4023 O O . TYR B 1 126 ? -32.173 -18.853 -3.897 1.00 15.80 ? 207 TYR B O 1 ATOM 4024 C CB . TYR B 1 126 ? -32.542 -19.947 -6.739 1.00 16.13 ? 207 TYR B CB 1 ATOM 4025 C CG . TYR B 1 126 ? -33.721 -19.121 -7.209 1.00 16.38 ? 207 TYR B CG 1 ATOM 4026 C CD1 . TYR B 1 126 ? -33.723 -18.535 -8.468 1.00 16.33 ? 207 TYR B CD1 1 ATOM 4027 C CD2 . TYR B 1 126 ? -34.830 -18.924 -6.393 1.00 16.62 ? 207 TYR B CD2 1 ATOM 4028 C CE1 . TYR B 1 126 ? -34.794 -17.770 -8.902 1.00 16.58 ? 207 TYR B CE1 1 ATOM 4029 C CE2 . TYR B 1 126 ? -35.907 -18.161 -6.815 1.00 16.77 ? 207 TYR B CE2 1 ATOM 4030 C CZ . TYR B 1 126 ? -35.886 -17.586 -8.069 1.00 16.80 ? 207 TYR B CZ 1 ATOM 4031 O OH . TYR B 1 126 ? -36.961 -16.832 -8.486 1.00 17.11 ? 207 TYR B OH 1 ATOM 4032 N N . ASP B 1 127 ? -32.042 -16.990 -5.169 1.00 17.04 ? 208 ASP B N 1 ATOM 4033 C CA . ASP B 1 127 ? -32.527 -16.077 -4.141 1.00 18.46 ? 208 ASP B CA 1 ATOM 4034 C C . ASP B 1 127 ? -31.760 -16.255 -2.827 1.00 18.56 ? 208 ASP B C 1 ATOM 4035 O O . ASP B 1 127 ? -32.352 -16.302 -1.745 1.00 18.92 ? 208 ASP B O 1 ATOM 4036 C CB . ASP B 1 127 ? -34.030 -16.282 -3.933 1.00 19.88 ? 208 ASP B CB 1 ATOM 4037 C CG . ASP B 1 127 ? -34.669 -15.172 -3.121 1.00 21.39 ? 208 ASP B CG 1 ATOM 4038 O OD1 . ASP B 1 127 ? -34.120 -14.051 -3.083 1.00 22.44 ? 208 ASP B OD1 1 ATOM 4039 O OD2 . ASP B 1 127 ? -35.717 -15.442 -2.510 1.00 23.10 ? 208 ASP B OD2 1 ATOM 4040 N N . GLY B 1 128 ? -30.442 -16.384 -2.950 1.00 18.59 ? 209 GLY B N 1 ATOM 4041 C CA . GLY B 1 128 ? -29.542 -16.425 -1.801 1.00 19.15 ? 209 GLY B CA 1 ATOM 4042 C C . GLY B 1 128 ? -29.430 -17.750 -1.067 1.00 19.41 ? 209 GLY B C 1 ATOM 4043 O O . GLY B 1 128 ? -28.831 -17.802 0.010 1.00 20.06 ? 209 GLY B O 1 ATOM 4044 N N . ARG B 1 129 ? -29.991 -18.823 -1.621 1.00 19.07 ? 210 ARG B N 1 ATOM 4045 C CA . ARG B 1 129 ? -29.864 -20.137 -0.977 1.00 19.36 ? 210 ARG B CA 1 ATOM 4046 C C . ARG B 1 129 ? -29.593 -21.247 -1.975 1.00 18.34 ? 210 ARG B C 1 ATOM 4047 O O . ARG B 1 129 ? -29.965 -21.159 -3.145 1.00 17.28 ? 210 ARG B O 1 ATOM 4048 C CB . ARG B 1 129 ? -31.086 -20.456 -0.097 1.00 20.81 ? 210 ARG B CB 1 ATOM 4049 C CG . ARG B 1 129 ? -32.380 -20.716 -0.837 1.00 22.20 ? 210 ARG B CG 1 ATOM 4050 C CD . ARG B 1 129 ? -33.592 -20.262 -0.019 1.00 23.34 ? 210 ARG B CD 1 ATOM 4051 N NE . ARG B 1 129 ? -33.645 -18.798 0.042 1.00 24.39 ? 210 ARG B NE 1 ATOM 4052 C CZ . ARG B 1 129 ? -33.784 -18.057 1.143 1.00 25.02 ? 210 ARG B CZ 1 ATOM 4053 N NH1 . ARG B 1 129 ? -33.933 -18.615 2.343 1.00 25.85 ? 210 ARG B NH1 1 ATOM 4054 N NH2 . ARG B 1 129 ? -33.793 -16.730 1.037 1.00 25.34 ? 210 ARG B NH2 1 ATOM 4055 N N . LEU B 1 130 ? -28.894 -22.275 -1.504 1.00 17.79 ? 211 LEU B N 1 ATOM 4056 C CA . LEU B 1 130 ? -28.584 -23.430 -2.333 1.00 17.84 ? 211 LEU B CA 1 ATOM 4057 C C . LEU B 1 130 ? -29.837 -24.284 -2.430 1.00 17.67 ? 211 LEU B C 1 ATOM 4058 O O . LEU B 1 130 ? -30.366 -24.732 -1.417 1.00 17.58 ? 211 LEU B O 1 ATOM 4059 C CB . LEU B 1 130 ? -27.421 -24.224 -1.744 1.00 18.23 ? 211 LEU B CB 1 ATOM 4060 C CG . LEU B 1 130 ? -26.788 -25.239 -2.701 1.00 18.84 ? 211 LEU B CG 1 ATOM 4061 C CD1 . LEU B 1 130 ? -25.273 -25.088 -2.722 1.00 19.42 ? 211 LEU B CD1 1 ATOM 4062 C CD2 . LEU B 1 130 ? -27.202 -26.646 -2.316 1.00 19.51 ? 211 LEU B CD2 1 ATOM 4063 N N . VAL B 1 131 ? -30.320 -24.481 -3.652 1.00 17.44 ? 212 VAL B N 1 ATOM 4064 C CA . VAL B 1 131 ? -31.560 -25.202 -3.888 1.00 17.58 ? 212 VAL B CA 1 ATOM 4065 C C . VAL B 1 131 ? -31.347 -26.594 -4.494 1.00 17.50 ? 212 VAL B C 1 ATOM 4066 O O . VAL B 1 131 ? -32.164 -27.490 -4.282 1.00 17.21 ? 212 VAL B O 1 ATOM 4067 C CB . VAL B 1 131 ? -32.503 -24.378 -4.791 1.00 17.69 ? 212 VAL B CB 1 ATOM 4068 C CG1 . VAL B 1 131 ? -33.804 -25.130 -5.047 1.00 18.20 ? 212 VAL B CG1 1 ATOM 4069 C CG2 . VAL B 1 131 ? -32.785 -23.027 -4.153 1.00 17.64 ? 212 VAL B CG2 1 ATOM 4070 N N . ASP B 1 132 ? -30.271 -26.773 -5.253 1.00 17.12 ? 213 ASP B N 1 ATOM 4071 C CA . ASP B 1 132 ? -30.011 -28.043 -5.920 1.00 17.15 ? 213 ASP B CA 1 ATOM 4072 C C . ASP B 1 132 ? -28.522 -28.180 -6.242 1.00 16.66 ? 213 ASP B C 1 ATOM 4073 O O . ASP B 1 132 ? -27.748 -27.215 -6.124 1.00 16.40 ? 213 ASP B O 1 ATOM 4074 C CB . ASP B 1 132 ? -30.852 -28.132 -7.203 1.00 17.68 ? 213 ASP B CB 1 ATOM 4075 C CG . ASP B 1 132 ? -31.295 -29.554 -7.545 1.00 18.27 ? 213 ASP B CG 1 ATOM 4076 O OD1 . ASP B 1 132 ? -30.748 -30.541 -6.990 1.00 18.27 ? 213 ASP B OD1 1 ATOM 4077 O OD2 . ASP B 1 132 ? -32.200 -29.672 -8.399 1.00 18.50 ? 213 ASP B OD2 1 ATOM 4078 N N . SER B 1 133 ? -28.130 -29.392 -6.620 1.00 16.50 ? 214 SER B N 1 ATOM 4079 C CA . SER B 1 133 ? -26.788 -29.663 -7.119 1.00 16.37 ? 214 SER B CA 1 ATOM 4080 C C . SER B 1 133 ? -26.822 -30.887 -8.016 1.00 16.77 ? 214 SER B C 1 ATOM 4081 O O . SER B 1 133 ? -27.712 -31.736 -7.890 1.00 17.03 ? 214 SER B O 1 ATOM 4082 C CB . SER B 1 133 ? -25.794 -29.877 -5.976 1.00 16.28 ? 214 SER B CB 1 ATOM 4083 O OG . SER B 1 133 ? -26.149 -30.992 -5.175 1.00 16.58 ? 214 SER B OG 1 ATOM 4084 N N . ILE B 1 134 ? -25.877 -30.956 -8.943 1.00 16.67 ? 215 ILE B N 1 ATOM 4085 C CA . ILE B 1 134 ? -25.709 -32.142 -9.767 1.00 17.06 ? 215 ILE B CA 1 ATOM 4086 C C . ILE B 1 134 ? -24.217 -32.449 -9.886 1.00 17.01 ? 215 ILE B C 1 ATOM 4087 O O . ILE B 1 134 ? -23.375 -31.535 -9.925 1.00 16.63 ? 215 ILE B O 1 ATOM 4088 C CB . ILE B 1 134 ? -26.398 -31.993 -11.146 1.00 17.57 ? 215 ILE B CB 1 ATOM 4089 C CG1 . ILE B 1 134 ? -26.541 -33.356 -11.834 1.00 18.18 ? 215 ILE B CG1 1 ATOM 4090 C CG2 . ILE B 1 134 ? -25.659 -30.996 -12.035 1.00 17.61 ? 215 ILE B CG2 1 ATOM 4091 C CD1 . ILE B 1 134 ? -27.478 -33.347 -13.026 1.00 18.67 ? 215 ILE B CD1 1 ATOM 4092 N N . GLY B 1 135 ? -23.895 -33.736 -9.894 1.00 17.15 ? 216 GLY B N 1 ATOM 4093 C CA . GLY B 1 135 ? -22.530 -34.191 -10.107 1.00 17.26 ? 216 GLY B CA 1 ATOM 4094 C C . GLY B 1 135 ? -22.225 -34.426 -11.575 1.00 17.51 ? 216 GLY B C 1 ATOM 4095 O O . GLY B 1 135 ? -23.122 -34.488 -12.410 1.00 17.89 ? 216 GLY B O 1 ATOM 4096 N N . SER B 1 136 ? -20.938 -34.555 -11.868 1.00 17.81 ? 217 SER B N 1 ATOM 4097 C CA . SER B 1 136 ? -20.426 -34.829 -13.206 1.00 17.75 ? 217 SER B CA 1 ATOM 4098 C C . SER B 1 136 ? -21.062 -36.093 -13.785 1.00 17.99 ? 217 SER B C 1 ATOM 4099 O O . SER B 1 136 ? -21.175 -37.109 -13.093 1.00 18.07 ? 217 SER B O 1 ATOM 4100 C CB . SER B 1 136 ? -18.907 -35.007 -13.118 1.00 17.90 ? 217 SER B CB 1 ATOM 4101 O OG . SER B 1 136 ? -18.311 -35.277 -14.372 1.00 18.13 ? 217 SER B OG 1 ATOM 4102 N N . TRP B 1 137 ? -21.477 -36.028 -15.047 1.00 17.65 ? 218 TRP B N 1 ATOM 4103 C CA . TRP B 1 137 ? -22.051 -37.197 -15.721 1.00 18.20 ? 218 TRP B CA 1 ATOM 4104 C C . TRP B 1 137 ? -21.085 -37.942 -16.657 1.00 18.59 ? 218 TRP B C 1 ATOM 4105 O O . TRP B 1 137 ? -21.347 -39.093 -17.010 1.00 19.05 ? 218 TRP B O 1 ATOM 4106 C CB . TRP B 1 137 ? -23.359 -36.842 -16.446 1.00 17.94 ? 218 TRP B CB 1 ATOM 4107 C CG . TRP B 1 137 ? -23.312 -35.673 -17.399 1.00 17.60 ? 218 TRP B CG 1 ATOM 4108 C CD1 . TRP B 1 137 ? -22.798 -35.662 -18.665 1.00 17.49 ? 218 TRP B CD1 1 ATOM 4109 C CD2 . TRP B 1 137 ? -23.861 -34.369 -17.177 1.00 17.36 ? 218 TRP B CD2 1 ATOM 4110 N NE1 . TRP B 1 137 ? -22.972 -34.420 -19.236 1.00 17.35 ? 218 TRP B NE1 1 ATOM 4111 C CE2 . TRP B 1 137 ? -23.625 -33.610 -18.345 1.00 17.20 ? 218 TRP B CE2 1 ATOM 4112 C CE3 . TRP B 1 137 ? -24.521 -33.764 -16.099 1.00 17.31 ? 218 TRP B CE3 1 ATOM 4113 C CZ2 . TRP B 1 137 ? -24.024 -32.279 -18.463 1.00 16.98 ? 218 TRP B CZ2 1 ATOM 4114 C CZ3 . TRP B 1 137 ? -24.918 -32.450 -16.217 1.00 17.14 ? 218 TRP B CZ3 1 ATOM 4115 C CH2 . TRP B 1 137 ? -24.665 -31.715 -17.391 1.00 17.03 ? 218 TRP B CH2 1 ATOM 4116 N N . SER B 1 138 ? -19.975 -37.304 -17.040 1.00 18.40 ? 219 SER B N 1 ATOM 4117 C CA . SER B 1 138 ? -18.956 -37.930 -17.901 1.00 18.73 ? 219 SER B CA 1 ATOM 4118 C C . SER B 1 138 ? -17.551 -37.912 -17.304 1.00 18.46 ? 219 SER B C 1 ATOM 4119 O O . SER B 1 138 ? -16.587 -38.300 -17.972 1.00 18.35 ? 219 SER B O 1 ATOM 4120 C CB . SER B 1 138 ? -18.916 -37.251 -19.273 1.00 19.20 ? 219 SER B CB 1 ATOM 4121 O OG . SER B 1 138 ? -20.174 -37.342 -19.905 1.00 19.94 ? 219 SER B OG 1 ATOM 4122 N N . GLN B 1 139 ? -17.431 -37.461 -16.057 1.00 18.26 ? 220 GLN B N 1 ATOM 4123 C CA . GLN B 1 139 ? -16.174 -37.515 -15.322 1.00 18.25 ? 220 GLN B CA 1 ATOM 4124 C C . GLN B 1 139 ? -15.034 -36.806 -16.066 1.00 17.94 ? 220 GLN B C 1 ATOM 4125 O O . GLN B 1 139 ? -13.880 -37.240 -16.023 1.00 17.71 ? 220 GLN B O 1 ATOM 4126 C CB . GLN B 1 139 ? -15.809 -38.977 -15.006 1.00 18.84 ? 220 GLN B CB 1 ATOM 4127 C CG . GLN B 1 139 ? -16.821 -39.701 -14.118 1.00 19.29 ? 220 GLN B CG 1 ATOM 4128 C CD . GLN B 1 139 ? -18.103 -40.089 -14.839 1.00 19.73 ? 220 GLN B CD 1 ATOM 4129 O OE1 . GLN B 1 139 ? -18.071 -40.651 -15.930 1.00 20.31 ? 220 GLN B OE1 1 ATOM 4130 N NE2 . GLN B 1 139 ? -19.243 -39.791 -14.224 1.00 20.08 ? 220 GLN B NE2 1 ATOM 4131 N N . ASN B 1 140 ? -15.356 -35.709 -16.746 1.00 17.41 ? 221 ASN B N 1 ATOM 4132 C CA . ASN B 1 140 ? -14.346 -34.976 -17.501 1.00 17.60 ? 221 ASN B CA 1 ATOM 4133 C C . ASN B 1 140 ? -14.683 -33.485 -17.622 1.00 16.93 ? 221 ASN B C 1 ATOM 4134 O O . ASN B 1 140 ? -15.070 -33.002 -18.686 1.00 16.54 ? 221 ASN B O 1 ATOM 4135 C CB . ASN B 1 140 ? -14.139 -35.633 -18.876 1.00 18.16 ? 221 ASN B CB 1 ATOM 4136 C CG . ASN B 1 140 ? -12.900 -35.124 -19.593 1.00 18.93 ? 221 ASN B CG 1 ATOM 4137 O OD1 . ASN B 1 140 ? -12.153 -34.301 -19.063 1.00 19.41 ? 221 ASN B OD1 1 ATOM 4138 N ND2 . ASN B 1 140 ? -12.679 -35.610 -20.814 1.00 19.62 ? 221 ASN B ND2 1 ATOM 4139 N N . ILE B 1 141 ? -14.516 -32.781 -16.502 1.00 16.44 ? 222 ILE B N 1 ATOM 4140 C CA . ILE B 1 141 ? -14.672 -31.327 -16.413 1.00 16.09 ? 222 ILE B CA 1 ATOM 4141 C C . ILE B 1 141 ? -16.075 -30.857 -16.796 1.00 15.86 ? 222 ILE B C 1 ATOM 4142 O O . ILE B 1 141 ? -16.292 -30.245 -17.843 1.00 15.69 ? 222 ILE B O 1 ATOM 4143 C CB . ILE B 1 141 ? -13.592 -30.572 -17.223 1.00 16.24 ? 222 ILE B CB 1 ATOM 4144 C CG1 . ILE B 1 141 ? -12.197 -31.145 -16.917 1.00 16.62 ? 222 ILE B CG1 1 ATOM 4145 C CG2 . ILE B 1 141 ? -13.642 -29.083 -16.889 1.00 15.96 ? 222 ILE B CG2 1 ATOM 4146 C CD1 . ILE B 1 141 ? -11.108 -30.714 -17.879 1.00 16.95 ? 222 ILE B CD1 1 ATOM 4147 N N . LEU B 1 142 ? -17.031 -31.170 -15.932 1.00 15.85 ? 223 LEU B N 1 ATOM 4148 C CA . LEU B 1 142 ? -18.362 -30.591 -16.016 1.00 15.83 ? 223 LEU B CA 1 ATOM 4149 C C . LEU B 1 142 ? -18.206 -29.070 -16.091 1.00 15.52 ? 223 LEU B C 1 ATOM 4150 O O . LEU B 1 142 ? -17.474 -28.484 -15.300 1.00 15.32 ? 223 LEU B O 1 ATOM 4151 C CB . LEU B 1 142 ? -19.178 -30.989 -14.787 1.00 15.97 ? 223 LEU B CB 1 ATOM 4152 C CG . LEU B 1 142 ? -20.625 -30.487 -14.721 1.00 15.93 ? 223 LEU B CG 1 ATOM 4153 C CD1 . LEU B 1 142 ? -21.439 -31.062 -15.868 1.00 16.24 ? 223 LEU B CD1 1 ATOM 4154 C CD2 . LEU B 1 142 ? -21.237 -30.856 -13.378 1.00 16.08 ? 223 LEU B CD2 1 ATOM 4155 N N . ARG B 1 143 ? -18.868 -28.442 -17.057 1.00 15.50 ? 224 ARG B N 1 ATOM 4156 C CA . ARG B 1 143 ? -18.627 -27.027 -17.359 1.00 15.35 ? 224 ARG B CA 1 ATOM 4157 C C . ARG B 1 143 ? -19.834 -26.359 -18.031 1.00 15.11 ? 224 ARG B C 1 ATOM 4158 O O . ARG B 1 143 ? -20.705 -27.038 -18.593 1.00 15.23 ? 224 ARG B O 1 ATOM 4159 C CB . ARG B 1 143 ? -17.377 -26.891 -18.222 1.00 15.33 ? 224 ARG B CB 1 ATOM 4160 C CG . ARG B 1 143 ? -17.383 -27.683 -19.532 1.00 15.59 ? 224 ARG B CG 1 ATOM 4161 C CD . ARG B 1 143 ? -15.982 -27.755 -20.113 1.00 15.93 ? 224 ARG B CD 1 ATOM 4162 N NE . ARG B 1 143 ? -15.898 -28.463 -21.399 1.00 16.14 ? 224 ARG B NE 1 ATOM 4163 C CZ . ARG B 1 143 ? -15.740 -29.780 -21.550 1.00 16.34 ? 224 ARG B CZ 1 ATOM 4164 N NH1 . ARG B 1 143 ? -15.653 -30.292 -22.774 1.00 16.67 ? 224 ARG B NH1 1 ATOM 4165 N NH2 . ARG B 1 143 ? -15.685 -30.599 -20.503 1.00 16.28 ? 224 ARG B NH2 1 ATOM 4166 N N . THR B 1 144 ? -19.894 -25.031 -17.950 1.00 14.69 ? 225 THR B N 1 ATOM 4167 C CA . THR B 1 144 ? -21.054 -24.301 -18.455 1.00 14.46 ? 225 THR B CA 1 ATOM 4168 C C . THR B 1 144 ? -20.694 -23.013 -19.224 1.00 14.16 ? 225 THR B C 1 ATOM 4169 O O . THR B 1 144 ? -19.585 -22.888 -19.745 1.00 14.11 ? 225 THR B O 1 ATOM 4170 C CB . THR B 1 144 ? -22.113 -24.103 -17.332 1.00 14.45 ? 225 THR B CB 1 ATOM 4171 O OG1 . THR B 1 144 ? -23.348 -23.652 -17.901 1.00 14.72 ? 225 THR B OG1 1 ATOM 4172 C CG2 . THR B 1 144 ? -21.651 -23.127 -16.255 1.00 14.46 ? 225 THR B CG2 1 ATOM 4173 N N . GLN B 1 145 ? -21.642 -22.082 -19.323 1.00 13.89 ? 226 GLN B N 1 ATOM 4174 C CA . GLN B 1 145 ? -21.618 -21.045 -20.364 1.00 13.81 ? 226 GLN B CA 1 ATOM 4175 C C . GLN B 1 145 ? -20.520 -19.973 -20.233 1.00 13.62 ? 226 GLN B C 1 ATOM 4176 O O . GLN B 1 145 ? -20.007 -19.493 -21.247 1.00 13.43 ? 226 GLN B O 1 ATOM 4177 C CB . GLN B 1 145 ? -23.003 -20.374 -20.453 1.00 13.91 ? 226 GLN B CB 1 ATOM 4178 C CG . GLN B 1 145 ? -24.092 -21.346 -20.895 1.00 14.29 ? 226 GLN B CG 1 ATOM 4179 C CD . GLN B 1 145 ? -25.494 -20.749 -20.957 1.00 14.56 ? 226 GLN B CD 1 ATOM 4180 O OE1 . GLN B 1 145 ? -26.475 -21.479 -21.049 1.00 15.52 ? 226 GLN B OE1 1 ATOM 4181 N NE2 . GLN B 1 145 ? -25.591 -19.435 -20.931 1.00 14.54 ? 226 GLN B NE2 1 ATOM 4182 N N . GLU B 1 146 ? -20.175 -19.607 -19.003 1.00 13.37 ? 227 GLU B N 1 ATOM 4183 C CA . GLU B 1 146 ? -19.376 -18.398 -18.722 1.00 13.46 ? 227 GLU B CA 1 ATOM 4184 C C . GLU B 1 146 ? -20.057 -17.116 -19.252 1.00 13.37 ? 227 GLU B C 1 ATOM 4185 O O . GLU B 1 146 ? -19.390 -16.133 -19.584 1.00 13.29 ? 227 GLU B O 1 ATOM 4186 C CB . GLU B 1 146 ? -17.937 -18.515 -19.264 1.00 13.64 ? 227 GLU B CB 1 ATOM 4187 C CG . GLU B 1 146 ? -17.293 -19.901 -19.233 1.00 13.94 ? 227 GLU B CG 1 ATOM 4188 C CD . GLU B 1 146 ? -17.194 -20.548 -17.861 1.00 14.20 ? 227 GLU B CD 1 ATOM 4189 O OE1 . GLU B 1 146 ? -17.574 -19.935 -16.845 1.00 13.94 ? 227 GLU B OE1 1 ATOM 4190 O OE2 . GLU B 1 146 ? -16.704 -21.708 -17.795 1.00 15.03 ? 227 GLU B OE2 1 ATOM 4191 N N . SER B 1 147 ? -21.388 -17.138 -19.323 1.00 13.49 ? 228 SER B N 1 ATOM 4192 C CA . SER B 1 147 ? -22.187 -15.951 -19.619 1.00 13.41 ? 228 SER B CA 1 ATOM 4193 C C . SER B 1 147 ? -23.610 -16.201 -19.131 1.00 13.60 ? 228 SER B C 1 ATOM 4194 O O . SER B 1 147 ? -23.895 -17.247 -18.544 1.00 13.74 ? 228 SER B O 1 ATOM 4195 C CB . SER B 1 147 ? -22.163 -15.581 -21.110 1.00 13.53 ? 228 SER B CB 1 ATOM 4196 O OG . SER B 1 147 ? -22.666 -16.618 -21.938 1.00 13.41 ? 228 SER B OG 1 ATOM 4197 N N . GLU B 1 148 ? -24.504 -15.249 -19.352 1.00 13.70 ? 229 GLU B N 1 ATOM 4198 C CA . GLU B 1 148 ? -25.795 -15.309 -18.692 1.00 13.91 ? 229 GLU B CA 1 ATOM 4199 C C . GLU B 1 148 ? -26.658 -16.442 -19.210 1.00 14.32 ? 229 GLU B C 1 ATOM 4200 O O . GLU B 1 148 ? -26.672 -16.729 -20.409 1.00 14.44 ? 229 GLU B O 1 ATOM 4201 C CB . GLU B 1 148 ? -26.543 -13.976 -18.783 1.00 13.96 ? 229 GLU B CB 1 ATOM 4202 C CG . GLU B 1 148 ? -27.113 -13.609 -20.150 1.00 14.11 ? 229 GLU B CG 1 ATOM 4203 C CD . GLU B 1 148 ? -28.051 -12.405 -20.081 1.00 14.44 ? 229 GLU B CD 1 ATOM 4204 O OE1 . GLU B 1 148 ? -28.647 -12.042 -21.118 1.00 14.39 ? 229 GLU B OE1 1 ATOM 4205 O OE2 . GLU B 1 148 ? -28.201 -11.814 -18.986 1.00 14.60 ? 229 GLU B OE2 1 ATOM 4206 N N . CYS B 1 149 ? -27.356 -17.097 -18.284 1.00 14.75 ? 230 CYS B N 1 ATOM 4207 C CA . CYS B 1 149 ? -28.449 -17.993 -18.635 1.00 15.25 ? 230 CYS B CA 1 ATOM 4208 C C . CYS B 1 149 ? -29.678 -17.135 -18.959 1.00 15.31 ? 230 CYS B C 1 ATOM 4209 O O . CYS B 1 149 ? -29.605 -15.902 -18.924 1.00 15.31 ? 230 CYS B O 1 ATOM 4210 C CB . CYS B 1 149 ? -28.715 -19.021 -17.518 1.00 15.54 ? 230 CYS B CB 1 ATOM 4211 S SG . CYS B 1 149 ? -28.591 -18.448 -15.806 1.00 15.85 ? 230 CYS B SG 1 ATOM 4212 N N . VAL B 1 150 ? -30.788 -17.777 -19.308 1.00 15.57 ? 231 VAL B N 1 ATOM 4213 C CA . VAL B 1 150 ? -31.980 -17.073 -19.760 1.00 15.85 ? 231 VAL B CA 1 ATOM 4214 C C . VAL B 1 150 ? -33.212 -17.713 -19.132 1.00 16.26 ? 231 VAL B C 1 ATOM 4215 O O . VAL B 1 150 ? -33.320 -18.939 -19.085 1.00 15.72 ? 231 VAL B O 1 ATOM 4216 C CB . VAL B 1 150 ? -32.105 -17.129 -21.300 1.00 16.07 ? 231 VAL B CB 1 ATOM 4217 C CG1 . VAL B 1 150 ? -33.333 -16.352 -21.769 1.00 16.44 ? 231 VAL B CG1 1 ATOM 4218 C CG2 . VAL B 1 150 ? -30.841 -16.592 -21.959 1.00 16.01 ? 231 VAL B CG2 1 ATOM 4219 N N . CYS B 1 151 ? -34.123 -16.874 -18.645 1.00 17.02 ? 232 CYS B N 1 ATOM 4220 C CA . CYS B 1 151 ? -35.338 -17.334 -17.981 1.00 17.88 ? 232 CYS B CA 1 ATOM 4221 C C . CYS B 1 151 ? -36.562 -16.770 -18.678 1.00 18.23 ? 232 CYS B C 1 ATOM 4222 O O . CYS B 1 151 ? -36.595 -15.582 -19.000 1.00 17.71 ? 232 CYS B O 1 ATOM 4223 C CB . CYS B 1 151 ? -35.364 -16.879 -16.515 1.00 18.60 ? 232 CYS B CB 1 ATOM 4224 S SG . CYS B 1 151 ? -33.828 -17.109 -15.590 1.00 19.18 ? 232 CYS B SG 1 ATOM 4225 N N . ILE B 1 152 ? -37.563 -17.629 -18.896 1.00 18.50 ? 233 ILE B N 1 ATOM 4226 C CA . ILE B 1 152 ? -38.863 -17.214 -19.410 1.00 19.21 ? 233 ILE B CA 1 ATOM 4227 C C . ILE B 1 152 ? -39.942 -17.805 -18.508 1.00 19.89 ? 233 ILE B C 1 ATOM 4228 O O . ILE B 1 152 ? -39.963 -19.011 -18.257 1.00 19.81 ? 233 ILE B O 1 ATOM 4229 C CB . ILE B 1 152 ? -39.083 -17.672 -20.868 1.00 19.27 ? 233 ILE B CB 1 ATOM 4230 C CG1 . ILE B 1 152 ? -38.076 -16.976 -21.792 1.00 18.87 ? 233 ILE B CG1 1 ATOM 4231 C CG2 . ILE B 1 152 ? -40.508 -17.365 -21.319 1.00 19.72 ? 233 ILE B CG2 1 ATOM 4232 C CD1 . ILE B 1 152 ? -38.155 -17.415 -23.242 1.00 18.89 ? 233 ILE B CD1 1 ATOM 4233 N N . ASN B 1 153 ? -40.811 -16.936 -18.010 1.00 20.73 ? 234 ASN B N 1 ATOM 4234 C CA . ASN B 1 153 ? -41.924 -17.321 -17.151 1.00 21.74 ? 234 ASN B CA 1 ATOM 4235 C C . ASN B 1 153 ? -41.510 -18.199 -15.965 1.00 21.52 ? 234 ASN B C 1 ATOM 4236 O O . ASN B 1 153 ? -42.220 -19.134 -15.591 1.00 21.91 ? 234 ASN B O 1 ATOM 4237 C CB . ASN B 1 153 ? -43.015 -18.006 -17.979 1.00 22.95 ? 234 ASN B CB 1 ATOM 4238 C CG . ASN B 1 153 ? -44.372 -17.963 -17.298 1.00 24.52 ? 234 ASN B CG 1 ATOM 4239 O OD1 . ASN B 1 153 ? -44.619 -17.118 -16.433 1.00 25.47 ? 234 ASN B OD1 1 ATOM 4240 N ND2 . ASN B 1 153 ? -45.257 -18.878 -17.681 1.00 25.66 ? 234 ASN B ND2 1 ATOM 4241 N N . GLY B 1 154 ? -40.366 -17.878 -15.370 1.00 20.51 ? 235 GLY B N 1 ATOM 4242 C CA . GLY B 1 154 ? -39.905 -18.560 -14.163 1.00 20.46 ? 235 GLY B CA 1 ATOM 4243 C C . GLY B 1 154 ? -39.138 -19.851 -14.389 1.00 19.98 ? 235 GLY B C 1 ATOM 4244 O O . GLY B 1 154 ? -38.792 -20.529 -13.429 1.00 20.26 ? 235 GLY B O 1 ATOM 4245 N N . THR B 1 155 ? -38.894 -20.205 -15.648 1.00 19.75 ? 236 THR B N 1 ATOM 4246 C CA . THR B 1 155 ? -38.043 -21.341 -15.987 1.00 19.52 ? 236 THR B CA 1 ATOM 4247 C C . THR B 1 155 ? -36.775 -20.814 -16.632 1.00 18.87 ? 236 THR B C 1 ATOM 4248 O O . THR B 1 155 ? -36.827 -20.155 -17.673 1.00 18.33 ? 236 THR B O 1 ATOM 4249 C CB . THR B 1 155 ? -38.730 -22.309 -16.966 1.00 20.33 ? 236 THR B CB 1 ATOM 4250 O OG1 . THR B 1 155 ? -39.972 -22.753 -16.407 1.00 20.59 ? 236 THR B OG1 1 ATOM 4251 C CG2 . THR B 1 155 ? -37.839 -23.523 -17.240 1.00 20.39 ? 236 THR B CG2 1 ATOM 4252 N N . CYS B 1 156 ? -35.642 -21.108 -16.006 1.00 18.62 ? 237 CYS B N 1 ATOM 4253 C CA . CYS B 1 156 ? -34.340 -20.692 -16.518 1.00 18.51 ? 237 CYS B CA 1 ATOM 4254 C C . CYS B 1 156 ? -33.676 -21.883 -17.175 1.00 18.10 ? 237 CYS B C 1 ATOM 4255 O O . CYS B 1 156 ? -33.799 -23.013 -16.695 1.00 18.38 ? 237 CYS B O 1 ATOM 4256 C CB . CYS B 1 156 ? -33.447 -20.160 -15.397 1.00 18.83 ? 237 CYS B CB 1 ATOM 4257 S SG . CYS B 1 156 ? -34.135 -18.784 -14.444 1.00 19.83 ? 237 CYS B SG 1 ATOM 4258 N N . THR B 1 157 ? -32.990 -21.635 -18.282 1.00 17.25 ? 238 THR B N 1 ATOM 4259 C CA . THR B 1 157 ? -32.304 -22.695 -18.990 1.00 17.03 ? 238 THR B CA 1 ATOM 4260 C C . THR B 1 157 ? -30.818 -22.379 -19.057 1.00 16.71 ? 238 THR B C 1 ATOM 4261 O O . THR B 1 157 ? -30.423 -21.212 -19.154 1.00 16.72 ? 238 THR B O 1 ATOM 4262 C CB . THR B 1 157 ? -32.893 -22.933 -20.398 1.00 17.13 ? 238 THR B CB 1 ATOM 4263 O OG1 . THR B 1 157 ? -32.352 -24.143 -20.944 1.00 17.10 ? 238 THR B OG1 1 ATOM 4264 C CG2 . THR B 1 157 ? -32.597 -21.776 -21.339 1.00 17.01 ? 238 THR B CG2 1 ATOM 4265 N N . VAL B 1 158 ? -30.008 -23.425 -18.974 1.00 16.62 ? 239 VAL B N 1 ATOM 4266 C CA . VAL B 1 158 ? -28.558 -23.297 -19.049 1.00 16.49 ? 239 VAL B CA 1 ATOM 4267 C C . VAL B 1 158 ? -27.975 -24.530 -19.741 1.00 16.52 ? 239 VAL B C 1 ATOM 4268 O O . VAL B 1 158 ? -28.471 -25.653 -19.567 1.00 16.64 ? 239 VAL B O 1 ATOM 4269 C CB . VAL B 1 158 ? -27.943 -23.100 -17.650 1.00 16.56 ? 239 VAL B CB 1 ATOM 4270 C CG1 . VAL B 1 158 ? -28.127 -24.342 -16.801 1.00 16.75 ? 239 VAL B CG1 1 ATOM 4271 C CG2 . VAL B 1 158 ? -26.468 -22.715 -17.745 1.00 16.53 ? 239 VAL B CG2 1 ATOM 4272 N N . VAL B 1 159 ? -26.937 -24.304 -20.539 1.00 16.20 ? 240 VAL B N 1 ATOM 4273 C CA . VAL B 1 159 ? -26.290 -25.358 -21.312 1.00 16.40 ? 240 VAL B CA 1 ATOM 4274 C C . VAL B 1 159 ? -25.017 -25.771 -20.597 1.00 16.48 ? 240 VAL B C 1 ATOM 4275 O O . VAL B 1 159 ? -24.212 -24.915 -20.217 1.00 15.95 ? 240 VAL B O 1 ATOM 4276 C CB . VAL B 1 159 ? -25.933 -24.887 -22.737 1.00 16.19 ? 240 VAL B CB 1 ATOM 4277 C CG1 . VAL B 1 159 ? -25.353 -26.033 -23.554 1.00 16.39 ? 240 VAL B CG1 1 ATOM 4278 C CG2 . VAL B 1 159 ? -27.160 -24.320 -23.431 1.00 16.33 ? 240 VAL B CG2 1 ATOM 4279 N N . MET B 1 160 ? -24.836 -27.079 -20.423 1.00 17.01 ? 241 MET B N 1 ATOM 4280 C CA . MET B 1 160 ? -23.645 -27.613 -19.770 1.00 17.51 ? 241 MET B CA 1 ATOM 4281 C C . MET B 1 160 ? -23.059 -28.765 -20.568 1.00 17.33 ? 241 MET B C 1 ATOM 4282 O O . MET B 1 160 ? -23.779 -29.498 -21.252 1.00 17.58 ? 241 MET B O 1 ATOM 4283 C CB . MET B 1 160 ? -23.973 -28.112 -18.366 1.00 19.09 ? 241 MET B CB 1 ATOM 4284 C CG . MET B 1 160 ? -24.646 -27.100 -17.462 1.00 20.28 ? 241 MET B CG 1 ATOM 4285 S SD . MET B 1 160 ? -25.072 -27.806 -15.849 1.00 23.41 ? 241 MET B SD 1 ATOM 4286 C CE . MET B 1 160 ? -23.504 -28.388 -15.250 1.00 21.88 ? 241 MET B CE 1 ATOM 4287 N N . THR B 1 161 ? -21.743 -28.923 -20.467 1.00 16.75 ? 242 THR B N 1 ATOM 4288 C CA . THR B 1 161 ? -21.035 -29.977 -21.170 1.00 16.69 ? 242 THR B CA 1 ATOM 4289 C C . THR B 1 161 ? -20.159 -30.729 -20.182 1.00 16.59 ? 242 THR B C 1 ATOM 4290 O O . THR B 1 161 ? -19.679 -30.155 -19.205 1.00 16.41 ? 242 THR B O 1 ATOM 4291 C CB . THR B 1 161 ? -20.189 -29.390 -22.322 1.00 16.79 ? 242 THR B CB 1 ATOM 4292 O OG1 . THR B 1 161 ? -21.061 -28.775 -23.273 1.00 16.60 ? 242 THR B OG1 1 ATOM 4293 C CG2 . THR B 1 161 ? -19.379 -30.466 -23.029 1.00 17.03 ? 242 THR B CG2 1 ATOM 4294 N N . ASP B 1 162 ? -19.973 -32.020 -20.438 1.00 16.73 ? 243 ASP B N 1 ATOM 4295 C CA . ASP B 1 162 ? -19.054 -32.863 -19.674 1.00 16.95 ? 243 ASP B CA 1 ATOM 4296 C C . ASP B 1 162 ? -18.465 -33.842 -20.683 1.00 17.39 ? 243 ASP B C 1 ATOM 4297 O O . ASP B 1 162 ? -19.198 -34.404 -21.501 1.00 17.61 ? 243 ASP B O 1 ATOM 4298 C CB . ASP B 1 162 ? -19.822 -33.588 -18.566 1.00 17.07 ? 243 ASP B CB 1 ATOM 4299 C CG . ASP B 1 162 ? -18.930 -34.130 -17.457 1.00 17.29 ? 243 ASP B CG 1 ATOM 4300 O OD1 . ASP B 1 162 ? -17.697 -34.302 -17.650 1.00 17.27 ? 243 ASP B OD1 1 ATOM 4301 O OD2 . ASP B 1 162 ? -19.493 -34.411 -16.370 1.00 17.26 ? 243 ASP B OD2 1 ATOM 4302 N N . GLY B 1 163 ? -17.148 -34.014 -20.659 1.00 17.70 ? 244 GLY B N 1 ATOM 4303 C CA . GLY B 1 163 ? -16.478 -34.877 -21.627 1.00 18.38 ? 244 GLY B CA 1 ATOM 4304 C C . GLY B 1 163 ? -15.352 -34.170 -22.354 1.00 18.57 ? 244 GLY B C 1 ATOM 4305 O O . GLY B 1 163 ? -14.912 -33.095 -21.950 1.00 17.99 ? 244 GLY B O 1 ATOM 4306 N N . SER B 1 164 ? -14.896 -34.784 -23.440 1.00 19.43 ? 245 SER B N 1 ATOM 4307 C CA . SER B 1 164 ? -13.708 -34.334 -24.148 1.00 20.25 ? 245 SER B CA 1 ATOM 4308 C C . SER B 1 164 ? -13.832 -32.909 -24.688 1.00 20.25 ? 245 SER B C 1 ATOM 4309 O O . SER B 1 164 ? -14.891 -32.502 -25.162 1.00 19.82 ? 245 SER B O 1 ATOM 4310 C CB . SER B 1 164 ? -13.393 -35.288 -25.303 1.00 20.76 ? 245 SER B CB 1 ATOM 4311 O OG . SER B 1 164 ? -12.249 -34.848 -26.017 1.00 21.37 ? 245 SER B OG 1 ATOM 4312 N N . ALA B 1 165 ? -12.731 -32.166 -24.602 1.00 20.94 ? 246 ALA B N 1 ATOM 4313 C CA . ALA B 1 165 ? -12.617 -30.842 -25.225 1.00 21.42 ? 246 ALA B CA 1 ATOM 4314 C C . ALA B 1 165 ? -12.142 -30.937 -26.677 1.00 22.09 ? 246 ALA B C 1 ATOM 4315 O O . ALA B 1 165 ? -12.064 -29.925 -27.368 1.00 22.33 ? 246 ALA B O 1 ATOM 4316 C CB . ALA B 1 165 ? -11.653 -29.971 -24.428 1.00 21.51 ? 246 ALA B CB 1 ATOM 4317 N N . SER B 1 166 ? -11.810 -32.141 -27.132 1.00 22.72 ? 247 SER B N 1 ATOM 4318 C CA . SER B 1 166 ? -11.231 -32.330 -28.461 1.00 23.72 ? 247 SER B CA 1 ATOM 4319 C C . SER B 1 166 ? -11.835 -33.542 -29.161 1.00 23.96 ? 247 SER B C 1 ATOM 4320 O O . SER B 1 166 ? -11.182 -34.191 -29.972 1.00 24.99 ? 247 SER B O 1 ATOM 4321 C CB . SER B 1 166 ? -9.719 -32.509 -28.323 1.00 24.15 ? 247 SER B CB 1 ATOM 4322 O OG . SER B 1 166 ? -9.438 -33.653 -27.537 1.00 24.70 ? 247 SER B OG 1 ATOM 4323 N N . GLY B 1 167 ? -13.090 -33.836 -28.847 1.00 23.38 ? 248 GLY B N 1 ATOM 4324 C CA . GLY B 1 167 ? -13.776 -35.000 -29.387 1.00 23.35 ? 248 GLY B CA 1 ATOM 4325 C C . GLY B 1 167 ? -15.208 -34.981 -28.901 1.00 23.11 ? 248 GLY B C 1 ATOM 4326 O O . GLY B 1 167 ? -15.586 -34.079 -28.151 1.00 22.20 ? 248 GLY B O 1 ATOM 4327 N N . ARG B 1 168 ? -16.003 -35.965 -29.312 1.00 23.24 ? 249 ARG B N 1 ATOM 4328 C CA . ARG B 1 168 ? -17.410 -36.024 -28.907 1.00 23.80 ? 249 ARG B CA 1 ATOM 4329 C C . ARG B 1 168 ? -17.547 -35.951 -27.380 1.00 22.49 ? 249 ARG B C 1 ATOM 4330 O O . ARG B 1 168 ? -16.828 -36.635 -26.654 1.00 21.80 ? 249 ARG B O 1 ATOM 4331 C CB . ARG B 1 168 ? -18.093 -37.286 -29.445 1.00 25.95 ? 249 ARG B CB 1 ATOM 4332 C CG . ARG B 1 168 ? -19.610 -37.241 -29.327 1.00 27.79 ? 249 ARG B CG 1 ATOM 4333 C CD . ARG B 1 168 ? -20.318 -38.202 -30.278 1.00 30.03 ? 249 ARG B CD 1 ATOM 4334 N NE . ARG B 1 168 ? -20.004 -37.967 -31.693 1.00 32.30 ? 249 ARG B NE 1 ATOM 4335 C CZ . ARG B 1 168 ? -20.441 -36.937 -32.427 1.00 33.83 ? 249 ARG B CZ 1 ATOM 4336 N NH1 . ARG B 1 168 ? -21.207 -35.980 -31.897 1.00 34.64 ? 249 ARG B NH1 1 ATOM 4337 N NH2 . ARG B 1 168 ? -20.086 -36.845 -33.707 1.00 34.30 ? 249 ARG B NH2 1 ATOM 4338 N N . ALA B 1 169 ? -18.447 -35.087 -26.913 1.00 21.34 ? 250 ALA B N 1 ATOM 4339 C CA . ALA B 1 169 ? -18.704 -34.894 -25.487 1.00 20.65 ? 250 ALA B CA 1 ATOM 4340 C C . ALA B 1 169 ? -20.199 -35.035 -25.200 1.00 20.52 ? 250 ALA B C 1 ATOM 4341 O O . ALA B 1 169 ? -20.987 -35.311 -26.106 1.00 20.42 ? 250 ALA B O 1 ATOM 4342 C CB . ALA B 1 169 ? -18.194 -33.535 -25.038 1.00 20.29 ? 250 ALA B CB 1 ATOM 4343 N N . ASP B 1 170 ? -20.579 -34.856 -23.938 1.00 20.04 ? 251 ASP B N 1 ATOM 4344 C CA . ASP B 1 170 ? -21.954 -35.063 -23.499 1.00 19.84 ? 251 ASP B CA 1 ATOM 4345 C C . ASP B 1 170 ? -22.547 -33.737 -23.025 1.00 18.75 ? 251 ASP B C 1 ATOM 4346 O O . ASP B 1 170 ? -22.324 -33.306 -21.889 1.00 18.17 ? 251 ASP B O 1 ATOM 4347 C CB . ASP B 1 170 ? -21.994 -36.118 -22.384 1.00 20.59 ? 251 ASP B CB 1 ATOM 4348 C CG . ASP B 1 170 ? -23.411 -36.529 -22.010 1.00 21.63 ? 251 ASP B CG 1 ATOM 4349 O OD1 . ASP B 1 170 ? -24.336 -35.689 -22.092 1.00 22.49 ? 251 ASP B OD1 1 ATOM 4350 O OD2 . ASP B 1 170 ? -23.606 -37.700 -21.616 1.00 22.33 ? 251 ASP B OD2 1 ATOM 4351 N N . THR B 1 171 ? -23.310 -33.105 -23.909 1.00 18.03 ? 252 THR B N 1 ATOM 4352 C CA . THR B 1 171 ? -23.888 -31.795 -23.649 1.00 17.41 ? 252 THR B CA 1 ATOM 4353 C C . THR B 1 171 ? -25.357 -31.947 -23.287 1.00 17.49 ? 252 THR B C 1 ATOM 4354 O O . THR B 1 171 ? -26.092 -32.705 -23.932 1.00 17.38 ? 252 THR B O 1 ATOM 4355 C CB . THR B 1 171 ? -23.710 -30.873 -24.872 1.00 17.26 ? 252 THR B CB 1 ATOM 4356 O OG1 . THR B 1 171 ? -22.313 -30.606 -25.045 1.00 17.10 ? 252 THR B OG1 1 ATOM 4357 C CG2 . THR B 1 171 ? -24.465 -29.556 -24.706 1.00 17.01 ? 252 THR B CG2 1 ATOM 4358 N N . ARG B 1 172 ? -25.767 -31.242 -22.234 1.00 17.05 ? 253 ARG B N 1 ATOM 4359 C CA . ARG B 1 172 ? -27.137 -31.305 -21.739 1.00 17.38 ? 253 ARG B CA 1 ATOM 4360 C C . ARG B 1 172 ? -27.675 -29.915 -21.444 1.00 17.00 ? 253 ARG B C 1 ATOM 4361 O O . ARG B 1 172 ? -26.925 -29.001 -21.087 1.00 16.52 ? 253 ARG B O 1 ATOM 4362 C CB . ARG B 1 172 ? -27.208 -32.184 -20.488 1.00 18.05 ? 253 ARG B CB 1 ATOM 4363 C CG . ARG B 1 172 ? -26.775 -33.615 -20.753 1.00 18.97 ? 253 ARG B CG 1 ATOM 4364 C CD . ARG B 1 172 ? -26.903 -34.523 -19.544 1.00 19.98 ? 253 ARG B CD 1 ATOM 4365 N NE . ARG B 1 172 ? -26.238 -35.805 -19.796 1.00 21.13 ? 253 ARG B NE 1 ATOM 4366 C CZ . ARG B 1 172 ? -26.222 -36.834 -18.947 1.00 21.72 ? 253 ARG B CZ 1 ATOM 4367 N NH1 . ARG B 1 172 ? -26.834 -36.755 -17.772 1.00 21.90 ? 253 ARG B NH1 1 ATOM 4368 N NH2 . ARG B 1 172 ? -25.590 -37.952 -19.280 1.00 22.21 ? 253 ARG B NH2 1 ATOM 4369 N N . ILE B 1 173 ? -28.985 -29.768 -21.592 1.00 17.00 ? 254 ILE B N 1 ATOM 4370 C CA . ILE B 1 173 ? -29.653 -28.497 -21.390 1.00 16.83 ? 254 ILE B CA 1 ATOM 4371 C C . ILE B 1 173 ? -30.570 -28.642 -20.184 1.00 16.96 ? 254 ILE B C 1 ATOM 4372 O O . ILE B 1 173 ? -31.466 -29.486 -20.173 1.00 16.88 ? 254 ILE B O 1 ATOM 4373 C CB . ILE B 1 173 ? -30.441 -28.080 -22.649 1.00 17.01 ? 254 ILE B CB 1 ATOM 4374 C CG1 . ILE B 1 173 ? -29.470 -27.769 -23.805 1.00 17.03 ? 254 ILE B CG1 1 ATOM 4375 C CG2 . ILE B 1 173 ? -31.310 -26.860 -22.363 1.00 16.92 ? 254 ILE B CG2 1 ATOM 4376 C CD1 . ILE B 1 173 ? -28.946 -28.980 -24.546 1.00 17.25 ? 254 ILE B CD1 1 ATOM 4377 N N . LEU B 1 174 ? -30.319 -27.838 -19.159 1.00 17.02 ? 255 LEU B N 1 ATOM 4378 C CA . LEU B 1 174 ? -31.070 -27.922 -17.910 1.00 17.38 ? 255 LEU B CA 1 ATOM 4379 C C . LEU B 1 174 ? -32.170 -26.874 -17.862 1.00 17.25 ? 255 LEU B C 1 ATOM 4380 O O . LEU B 1 174 ? -32.012 -25.766 -18.375 1.00 17.11 ? 255 LEU B O 1 ATOM 4381 C CB . LEU B 1 174 ? -30.134 -27.733 -16.715 1.00 17.67 ? 255 LEU B CB 1 ATOM 4382 C CG . LEU B 1 174 ? -29.284 -28.948 -16.340 1.00 18.08 ? 255 LEU B CG 1 ATOM 4383 C CD1 . LEU B 1 174 ? -28.242 -29.269 -17.400 1.00 18.33 ? 255 LEU B CD1 1 ATOM 4384 C CD2 . LEU B 1 174 ? -28.625 -28.697 -14.995 1.00 18.38 ? 255 LEU B CD2 1 ATOM 4385 N N . PHE B 1 175 ? -33.288 -27.239 -17.246 1.00 17.47 ? 256 PHE B N 1 ATOM 4386 C CA . PHE B 1 175 ? -34.386 -26.318 -17.018 1.00 17.67 ? 256 PHE B CA 1 ATOM 4387 C C . PHE B 1 175 ? -34.605 -26.240 -15.518 1.00 18.05 ? 256 PHE B C 1 ATOM 4388 O O . PHE B 1 175 ? -34.756 -27.270 -14.841 1.00 17.81 ? 256 PHE B O 1 ATOM 4389 C CB . PHE B 1 175 ? -35.643 -26.802 -17.738 1.00 17.86 ? 256 PHE B CB 1 ATOM 4390 C CG . PHE B 1 175 ? -35.469 -26.926 -19.224 1.00 17.80 ? 256 PHE B CG 1 ATOM 4391 C CD1 . PHE B 1 175 ? -34.925 -28.080 -19.781 1.00 17.80 ? 256 PHE B CD1 1 ATOM 4392 C CD2 . PHE B 1 175 ? -35.842 -25.890 -20.069 1.00 17.74 ? 256 PHE B CD2 1 ATOM 4393 C CE1 . PHE B 1 175 ? -34.762 -28.201 -21.150 1.00 17.72 ? 256 PHE B CE1 1 ATOM 4394 C CE2 . PHE B 1 175 ? -35.682 -26.006 -21.439 1.00 17.85 ? 256 PHE B CE2 1 ATOM 4395 C CZ . PHE B 1 175 ? -35.139 -27.162 -21.979 1.00 17.81 ? 256 PHE B CZ 1 ATOM 4396 N N . ILE B 1 176 ? -34.597 -25.014 -15.006 1.00 18.30 ? 257 ILE B N 1 ATOM 4397 C CA . ILE B 1 176 ? -34.463 -24.762 -13.581 1.00 18.64 ? 257 ILE B CA 1 ATOM 4398 C C . ILE B 1 176 ? -35.530 -23.765 -13.148 1.00 18.84 ? 257 ILE B C 1 ATOM 4399 O O . ILE B 1 176 ? -35.630 -22.681 -13.718 1.00 18.64 ? 257 ILE B O 1 ATOM 4400 C CB . ILE B 1 176 ? -33.056 -24.216 -13.253 1.00 18.74 ? 257 ILE B CB 1 ATOM 4401 C CG1 . ILE B 1 176 ? -31.971 -25.193 -13.742 1.00 19.06 ? 257 ILE B CG1 1 ATOM 4402 C CG2 . ILE B 1 176 ? -32.890 -24.017 -11.751 1.00 18.77 ? 257 ILE B CG2 1 ATOM 4403 C CD1 . ILE B 1 176 ? -30.610 -24.565 -13.926 1.00 19.28 ? 257 ILE B CD1 1 ATOM 4404 N N . GLU B 1 177 ? -36.327 -24.151 -12.152 1.00 19.30 ? 258 GLU B N 1 ATOM 4405 C CA . GLU B 1 177 ? -37.389 -23.307 -11.622 1.00 19.91 ? 258 GLU B CA 1 ATOM 4406 C C . GLU B 1 177 ? -37.090 -22.990 -10.161 1.00 19.69 ? 258 GLU B C 1 ATOM 4407 O O . GLU B 1 177 ? -37.030 -23.892 -9.327 1.00 19.31 ? 258 GLU B O 1 ATOM 4408 C CB . GLU B 1 177 ? -38.746 -24.013 -11.775 1.00 21.16 ? 258 GLU B CB 1 ATOM 4409 C CG . GLU B 1 177 ? -39.132 -24.211 -13.236 1.00 22.16 ? 258 GLU B CG 1 ATOM 4410 C CD . GLU B 1 177 ? -40.460 -24.914 -13.449 1.00 24.07 ? 258 GLU B CD 1 ATOM 4411 O OE1 . GLU B 1 177 ? -41.060 -25.411 -12.474 1.00 24.91 ? 258 GLU B OE1 1 ATOM 4412 O OE2 . GLU B 1 177 ? -40.902 -24.970 -14.620 1.00 25.93 ? 258 GLU B OE2 1 ATOM 4413 N N . GLU B 1 178 ? -36.880 -21.708 -9.865 1.00 19.71 ? 259 GLU B N 1 ATOM 4414 C CA . GLU B 1 178 ? -36.490 -21.258 -8.525 1.00 19.89 ? 259 GLU B CA 1 ATOM 4415 C C . GLU B 1 178 ? -35.333 -22.078 -7.941 1.00 19.09 ? 259 GLU B C 1 ATOM 4416 O O . GLU B 1 178 ? -35.363 -22.475 -6.770 1.00 18.47 ? 259 GLU B O 1 ATOM 4417 C CB . GLU B 1 178 ? -37.698 -21.278 -7.581 1.00 21.41 ? 259 GLU B CB 1 ATOM 4418 C CG . GLU B 1 178 ? -38.800 -20.325 -7.991 1.00 22.84 ? 259 GLU B CG 1 ATOM 4419 C CD . GLU B 1 178 ? -39.926 -20.285 -6.980 1.00 24.62 ? 259 GLU B CD 1 ATOM 4420 O OE1 . GLU B 1 178 ? -40.836 -21.141 -7.062 1.00 26.94 ? 259 GLU B OE1 1 ATOM 4421 O OE2 . GLU B 1 178 ? -39.901 -19.396 -6.108 1.00 25.77 ? 259 GLU B OE2 1 ATOM 4422 N N . GLY B 1 179 ? -34.317 -22.333 -8.767 1.00 18.42 ? 260 GLY B N 1 ATOM 4423 C CA . GLY B 1 179 ? -33.116 -23.055 -8.333 1.00 18.21 ? 260 GLY B CA 1 ATOM 4424 C C . GLY B 1 179 ? -33.176 -24.575 -8.402 1.00 18.63 ? 260 GLY B C 1 ATOM 4425 O O . GLY B 1 179 ? -32.152 -25.247 -8.233 1.00 18.32 ? 260 GLY B O 1 ATOM 4426 N N . LYS B 1 180 ? -34.364 -25.116 -8.670 1.00 19.40 ? 261 LYS B N 1 ATOM 4427 C CA . LYS B 1 180 ? -34.598 -26.555 -8.687 1.00 20.32 ? 261 LYS B CA 1 ATOM 4428 C C . LYS B 1 180 ? -34.595 -27.073 -10.127 1.00 19.59 ? 261 LYS B C 1 ATOM 4429 O O . LYS B 1 180 ? -35.359 -26.590 -10.954 1.00 19.60 ? 261 LYS B O 1 ATOM 4430 C CB . LYS B 1 180 ? -35.953 -26.840 -8.026 1.00 22.00 ? 261 LYS B CB 1 ATOM 4431 C CG . LYS B 1 180 ? -36.443 -28.276 -8.104 1.00 24.14 ? 261 LYS B CG 1 ATOM 4432 C CD . LYS B 1 180 ? -35.515 -29.217 -7.369 1.00 26.07 ? 261 LYS B CD 1 ATOM 4433 C CE . LYS B 1 180 ? -36.208 -30.538 -7.064 1.00 27.98 ? 261 LYS B CE 1 ATOM 4434 N NZ . LYS B 1 180 ? -35.219 -31.568 -6.646 1.00 28.93 ? 261 LYS B NZ 1 ATOM 4435 N N . ILE B 1 181 ? -33.752 -28.060 -10.418 1.00 18.86 ? 262 ILE B N 1 ATOM 4436 C CA . ILE B 1 181 ? -33.723 -28.669 -11.749 1.00 18.73 ? 262 ILE B CA 1 ATOM 4437 C C . ILE B 1 181 ? -35.014 -29.463 -11.952 1.00 18.85 ? 262 ILE B C 1 ATOM 4438 O O . ILE B 1 181 ? -35.298 -30.384 -11.187 1.00 18.83 ? 262 ILE B O 1 ATOM 4439 C CB . ILE B 1 181 ? -32.525 -29.621 -11.927 1.00 18.64 ? 262 ILE B CB 1 ATOM 4440 C CG1 . ILE B 1 181 ? -31.199 -28.874 -11.709 1.00 18.32 ? 262 ILE B CG1 1 ATOM 4441 C CG2 . ILE B 1 181 ? -32.558 -30.262 -13.313 1.00 18.82 ? 262 ILE B CG2 1 ATOM 4442 C CD1 . ILE B 1 181 ? -30.008 -29.780 -11.491 1.00 18.50 ? 262 ILE B CD1 1 ATOM 4443 N N . VAL B 1 182 ? -35.798 -29.093 -12.960 1.00 18.84 ? 263 VAL B N 1 ATOM 4444 C CA . VAL B 1 182 ? -37.065 -29.788 -13.240 1.00 19.29 ? 263 VAL B CA 1 ATOM 4445 C C . VAL B 1 182 ? -37.018 -30.678 -14.484 1.00 19.46 ? 263 VAL B C 1 ATOM 4446 O O . VAL B 1 182 ? -37.872 -31.554 -14.664 1.00 19.56 ? 263 VAL B O 1 ATOM 4447 C CB . VAL B 1 182 ? -38.257 -28.806 -13.329 1.00 19.42 ? 263 VAL B CB 1 ATOM 4448 C CG1 . VAL B 1 182 ? -38.425 -28.069 -12.007 1.00 19.58 ? 263 VAL B CG1 1 ATOM 4449 C CG2 . VAL B 1 182 ? -38.094 -27.818 -14.476 1.00 19.40 ? 263 VAL B CG2 1 ATOM 4450 N N . HIS B 1 183 ? -36.032 -30.459 -15.344 1.00 18.97 ? 264 HIS B N 1 ATOM 4451 C CA . HIS B 1 183 ? -35.879 -31.281 -16.541 1.00 19.20 ? 264 HIS B CA 1 ATOM 4452 C C . HIS B 1 183 ? -34.477 -31.117 -17.103 1.00 18.57 ? 264 HIS B C 1 ATOM 4453 O O . HIS B 1 183 ? -33.887 -30.039 -16.997 1.00 17.88 ? 264 HIS B O 1 ATOM 4454 C CB . HIS B 1 183 ? -36.882 -30.871 -17.610 1.00 19.83 ? 264 HIS B CB 1 ATOM 4455 C CG . HIS B 1 183 ? -37.095 -31.910 -18.664 1.00 20.68 ? 264 HIS B CG 1 ATOM 4456 N ND1 . HIS B 1 183 ? -36.419 -31.905 -19.866 1.00 21.19 ? 264 HIS B ND1 1 ATOM 4457 C CD2 . HIS B 1 183 ? -37.917 -32.982 -18.700 1.00 21.10 ? 264 HIS B CD2 1 ATOM 4458 C CE1 . HIS B 1 183 ? -36.816 -32.933 -20.596 1.00 21.13 ? 264 HIS B CE1 1 ATOM 4459 N NE2 . HIS B 1 183 ? -37.724 -33.600 -19.912 1.00 21.97 ? 264 HIS B NE2 1 ATOM 4460 N N . ILE B 1 184 ? -33.962 -32.192 -17.690 1.00 18.41 ? 265 ILE B N 1 ATOM 4461 C CA . ILE B 1 184 ? -32.676 -32.169 -18.380 1.00 18.60 ? 265 ILE B CA 1 ATOM 4462 C C . ILE B 1 184 ? -32.867 -32.801 -19.755 1.00 18.81 ? 265 ILE B C 1 ATOM 4463 O O . ILE B 1 184 ? -33.331 -33.943 -19.859 1.00 18.67 ? 265 ILE B O 1 ATOM 4464 C CB . ILE B 1 184 ? -31.594 -32.929 -17.587 1.00 18.97 ? 265 ILE B CB 1 ATOM 4465 C CG1 . ILE B 1 184 ? -31.483 -32.356 -16.165 1.00 19.14 ? 265 ILE B CG1 1 ATOM 4466 C CG2 . ILE B 1 184 ? -30.249 -32.852 -18.307 1.00 18.86 ? 265 ILE B CG2 1 ATOM 4467 C CD1 . ILE B 1 184 ? -30.473 -33.059 -15.277 1.00 19.47 ? 265 ILE B CD1 1 ATOM 4468 N N . SER B 1 185 ? -32.544 -32.049 -20.805 1.00 18.31 ? 266 SER B N 1 ATOM 4469 C CA . SER B 1 185 ? -32.656 -32.549 -22.171 1.00 18.77 ? 266 SER B CA 1 ATOM 4470 C C . SER B 1 185 ? -31.265 -32.745 -22.762 1.00 18.63 ? 266 SER B C 1 ATOM 4471 O O . SER B 1 185 ? -30.419 -31.856 -22.656 1.00 18.60 ? 266 SER B O 1 ATOM 4472 C CB . SER B 1 185 ? -33.446 -31.575 -23.045 1.00 18.86 ? 266 SER B CB 1 ATOM 4473 O OG . SER B 1 185 ? -34.791 -31.460 -22.607 1.00 19.40 ? 266 SER B OG 1 ATOM 4474 N N . PRO B 1 186 ? -31.016 -33.910 -23.383 1.00 18.92 ? 267 PRO B N 1 ATOM 4475 C CA . PRO B 1 186 ? -29.746 -34.068 -24.087 1.00 18.75 ? 267 PRO B CA 1 ATOM 4476 C C . PRO B 1 186 ? -29.678 -33.191 -25.340 1.00 18.57 ? 267 PRO B C 1 ATOM 4477 O O . PRO B 1 186 ? -30.710 -32.869 -25.932 1.00 18.25 ? 267 PRO B O 1 ATOM 4478 C CB . PRO B 1 186 ? -29.726 -35.555 -24.465 1.00 19.36 ? 267 PRO B CB 1 ATOM 4479 C CG . PRO B 1 186 ? -31.146 -36.001 -24.427 1.00 19.79 ? 267 PRO B CG 1 ATOM 4480 C CD . PRO B 1 186 ? -31.849 -35.129 -23.433 1.00 19.48 ? 267 PRO B CD 1 ATOM 4481 N N . LEU B 1 187 ? -28.471 -32.791 -25.730 1.00 18.32 ? 268 LEU B N 1 ATOM 4482 C CA . LEU B 1 187 ? -28.286 -32.103 -27.001 1.00 18.26 ? 268 LEU B CA 1 ATOM 4483 C C . LEU B 1 187 ? -28.826 -32.980 -28.135 1.00 18.66 ? 268 LEU B C 1 ATOM 4484 O O . LEU B 1 187 ? -28.629 -34.188 -28.133 1.00 18.69 ? 268 LEU B O 1 ATOM 4485 C CB . LEU B 1 187 ? -26.811 -31.813 -27.248 1.00 18.16 ? 268 LEU B CB 1 ATOM 4486 C CG . LEU B 1 187 ? -26.457 -31.179 -28.595 1.00 18.20 ? 268 LEU B CG 1 ATOM 4487 C CD1 . LEU B 1 187 ? -26.948 -29.745 -28.681 1.00 18.10 ? 268 LEU B CD1 1 ATOM 4488 C CD2 . LEU B 1 187 ? -24.958 -31.257 -28.819 1.00 18.10 ? 268 LEU B CD2 1 ATOM 4489 N N . SER B 1 188 ? -29.500 -32.355 -29.090 1.00 18.76 ? 269 SER B N 1 ATOM 4490 C CA . SER B 1 188 ? -29.955 -33.031 -30.298 1.00 19.77 ? 269 SER B CA 1 ATOM 4491 C C . SER B 1 188 ? -29.706 -32.111 -31.489 1.00 19.45 ? 269 SER B C 1 ATOM 4492 O O . SER B 1 188 ? -29.435 -30.925 -31.307 1.00 19.26 ? 269 SER B O 1 ATOM 4493 C CB . SER B 1 188 ? -31.441 -33.377 -30.168 1.00 20.45 ? 269 SER B CB 1 ATOM 4494 O OG . SER B 1 188 ? -31.912 -34.051 -31.315 1.00 22.05 ? 269 SER B OG 1 ATOM 4495 N N . GLY B 1 189 ? -29.789 -32.662 -32.699 1.00 19.68 ? 270 GLY B N 1 ATOM 4496 C CA . GLY B 1 189 ? -29.526 -31.903 -33.926 1.00 19.66 ? 270 GLY B CA 1 ATOM 4497 C C . GLY B 1 189 ? -28.136 -32.170 -34.481 1.00 19.52 ? 270 GLY B C 1 ATOM 4498 O O . GLY B 1 189 ? -27.524 -33.194 -34.174 1.00 19.61 ? 270 GLY B O 1 ATOM 4499 N N . SER B 1 190 ? -27.628 -31.244 -35.292 1.00 19.08 ? 271 SER B N 1 ATOM 4500 C CA . SER B 1 190 ? -26.419 -31.506 -36.074 1.00 18.93 ? 271 SER B CA 1 ATOM 4501 C C . SER B 1 190 ? -25.150 -30.875 -35.509 1.00 18.52 ? 271 SER B C 1 ATOM 4502 O O . SER B 1 190 ? -24.082 -31.066 -36.073 1.00 18.47 ? 271 SER B O 1 ATOM 4503 C CB . SER B 1 190 ? -26.612 -31.071 -37.532 1.00 19.25 ? 271 SER B CB 1 ATOM 4504 O OG . SER B 1 190 ? -26.670 -29.662 -37.661 1.00 19.22 ? 271 SER B OG 1 ATOM 4505 N N . ALA B 1 191 ? -25.250 -30.128 -34.411 1.00 18.27 ? 272 ALA B N 1 ATOM 4506 C CA . ALA B 1 191 ? -24.048 -29.584 -33.777 1.00 18.03 ? 272 ALA B CA 1 ATOM 4507 C C . ALA B 1 191 ? -23.261 -30.736 -33.173 1.00 18.39 ? 272 ALA B C 1 ATOM 4508 O O . ALA B 1 191 ? -23.822 -31.560 -32.452 1.00 18.76 ? 272 ALA B O 1 ATOM 4509 C CB . ALA B 1 191 ? -24.402 -28.548 -32.714 1.00 17.76 ? 272 ALA B CB 1 ATOM 4510 N N . GLN B 1 192 ? -21.968 -30.807 -33.471 1.00 18.48 ? 273 GLN B N 1 ATOM 4511 C CA . GLN B 1 192 ? -21.158 -31.952 -33.054 1.00 18.93 ? 273 GLN B CA 1 ATOM 4512 C C . GLN B 1 192 ? -20.299 -31.709 -31.810 1.00 18.26 ? 273 GLN B C 1 ATOM 4513 O O . GLN B 1 192 ? -19.775 -32.659 -31.224 1.00 17.63 ? 273 GLN B O 1 ATOM 4514 C CB . GLN B 1 192 ? -20.289 -32.430 -34.212 1.00 20.01 ? 273 GLN B CB 1 ATOM 4515 C CG . GLN B 1 192 ? -21.096 -33.101 -35.313 1.00 21.11 ? 273 GLN B CG 1 ATOM 4516 C CD . GLN B 1 192 ? -20.233 -33.875 -36.281 1.00 22.39 ? 273 GLN B CD 1 ATOM 4517 O OE1 . GLN B 1 192 ? -19.320 -34.604 -35.876 1.00 24.02 ? 273 GLN B OE1 1 ATOM 4518 N NE2 . GLN B 1 192 ? -20.518 -33.732 -37.570 1.00 22.99 ? 273 GLN B NE2 1 ATOM 4519 N N . HIS B 1 193 ? -20.163 -30.448 -31.410 1.00 17.60 ? 274 HIS B N 1 ATOM 4520 C CA . HIS B 1 193 ? -19.440 -30.111 -30.188 1.00 17.26 ? 274 HIS B CA 1 ATOM 4521 C C . HIS B 1 193 ? -19.876 -28.747 -29.683 1.00 16.86 ? 274 HIS B C 1 ATOM 4522 O O . HIS B 1 193 ? -19.938 -27.796 -30.461 1.00 16.54 ? 274 HIS B O 1 ATOM 4523 C CB . HIS B 1 193 ? -17.933 -30.111 -30.438 1.00 17.29 ? 274 HIS B CB 1 ATOM 4524 C CG . HIS B 1 193 ? -17.123 -30.274 -29.194 1.00 17.31 ? 274 HIS B CG 1 ATOM 4525 N ND1 . HIS B 1 193 ? -16.453 -29.229 -28.598 1.00 17.22 ? 274 HIS B ND1 1 ATOM 4526 C CD2 . HIS B 1 193 ? -16.899 -31.358 -28.416 1.00 17.51 ? 274 HIS B CD2 1 ATOM 4527 C CE1 . HIS B 1 193 ? -15.838 -29.663 -27.514 1.00 17.40 ? 274 HIS B CE1 1 ATOM 4528 N NE2 . HIS B 1 193 ? -16.095 -30.952 -27.379 1.00 17.54 ? 274 HIS B NE2 1 ATOM 4529 N N . ILE B 1 194 ? -20.152 -28.669 -28.381 1.00 16.69 ? 275 ILE B N 1 ATOM 4530 C CA . ILE B 1 194 ? -20.744 -27.489 -27.759 1.00 16.48 ? 275 ILE B CA 1 ATOM 4531 C C . ILE B 1 194 ? -19.991 -27.091 -26.497 1.00 16.56 ? 275 ILE B C 1 ATOM 4532 O O . ILE B 1 194 ? -19.881 -27.873 -25.539 1.00 16.63 ? 275 ILE B O 1 ATOM 4533 C CB . ILE B 1 194 ? -22.216 -27.739 -27.368 1.00 16.49 ? 275 ILE B CB 1 ATOM 4534 C CG1 . ILE B 1 194 ? -23.075 -28.007 -28.608 1.00 16.56 ? 275 ILE B CG1 1 ATOM 4535 C CG2 . ILE B 1 194 ? -22.776 -26.560 -26.585 1.00 16.36 ? 275 ILE B CG2 1 ATOM 4536 C CD1 . ILE B 1 194 ? -23.279 -26.816 -29.519 1.00 16.49 ? 275 ILE B CD1 1 ATOM 4537 N N . GLU B 1 195 ? -19.489 -25.863 -26.510 1.00 16.51 ? 276 GLU B N 1 ATOM 4538 C CA . GLU B 1 195 ? -18.821 -25.267 -25.369 1.00 16.67 ? 276 GLU B CA 1 ATOM 4539 C C . GLU B 1 195 ? -19.307 -23.827 -25.204 1.00 16.03 ? 276 GLU B C 1 ATOM 4540 O O . GLU B 1 195 ? -19.584 -23.140 -26.193 1.00 15.40 ? 276 GLU B O 1 ATOM 4541 C CB . GLU B 1 195 ? -17.309 -25.241 -25.596 1.00 17.33 ? 276 GLU B CB 1 ATOM 4542 C CG . GLU B 1 195 ? -16.660 -26.589 -25.876 1.00 18.46 ? 276 GLU B CG 1 ATOM 4543 C CD . GLU B 1 195 ? -16.172 -27.298 -24.631 1.00 19.43 ? 276 GLU B CD 1 ATOM 4544 O OE1 . GLU B 1 195 ? -16.685 -27.011 -23.525 1.00 20.43 ? 276 GLU B OE1 1 ATOM 4545 O OE2 . GLU B 1 195 ? -15.261 -28.148 -24.753 1.00 20.30 ? 276 GLU B OE2 1 ATOM 4546 N N . GLU B 1 196 ? -19.407 -23.378 -23.955 1.00 15.59 ? 277 GLU B N 1 ATOM 4547 C CA . GLU B 1 196 ? -19.433 -21.943 -23.648 1.00 15.35 ? 277 GLU B CA 1 ATOM 4548 C C . GLU B 1 196 ? -20.492 -21.176 -24.438 1.00 15.25 ? 277 GLU B C 1 ATOM 4549 O O . GLU B 1 196 ? -20.205 -20.170 -25.098 1.00 14.98 ? 277 GLU B O 1 ATOM 4550 C CB . GLU B 1 196 ? -18.036 -21.343 -23.865 1.00 15.54 ? 277 GLU B CB 1 ATOM 4551 C CG . GLU B 1 196 ? -17.002 -21.962 -22.938 1.00 15.74 ? 277 GLU B CG 1 ATOM 4552 C CD . GLU B 1 196 ? -15.578 -21.518 -23.202 1.00 15.96 ? 277 GLU B CD 1 ATOM 4553 O OE1 . GLU B 1 196 ? -15.265 -21.026 -24.313 1.00 15.92 ? 277 GLU B OE1 1 ATOM 4554 O OE2 . GLU B 1 196 ? -14.755 -21.679 -22.277 1.00 16.12 ? 277 GLU B OE2 1 ATOM 4555 N N . CYS B 1 197 ? -21.730 -21.649 -24.352 1.00 15.10 ? 278 CYS B N 1 ATOM 4556 C CA . CYS B 1 197 ? -22.819 -21.048 -25.109 1.00 15.27 ? 278 CYS B CA 1 ATOM 4557 C C . CYS B 1 197 ? -23.126 -19.616 -24.675 1.00 14.85 ? 278 CYS B C 1 ATOM 4558 O O . CYS B 1 197 ? -23.139 -19.295 -23.484 1.00 14.47 ? 278 CYS B O 1 ATOM 4559 C CB . CYS B 1 197 ? -24.087 -21.901 -25.004 1.00 15.76 ? 278 CYS B CB 1 ATOM 4560 S SG . CYS B 1 197 ? -24.002 -23.425 -25.960 1.00 16.72 ? 278 CYS B SG 1 ATOM 4561 N N . SER B 1 198 ? -23.361 -18.763 -25.666 1.00 14.83 ? 279 SER B N 1 ATOM 4562 C CA . SER B 1 198 ? -23.867 -17.415 -25.457 1.00 14.72 ? 279 SER B CA 1 ATOM 4563 C C . SER B 1 198 ? -25.327 -17.417 -25.886 1.00 14.83 ? 279 SER B C 1 ATOM 4564 O O . SER B 1 198 ? -25.633 -17.463 -27.080 1.00 14.61 ? 279 SER B O 1 ATOM 4565 C CB . SER B 1 198 ? -23.067 -16.409 -26.273 1.00 14.98 ? 279 SER B CB 1 ATOM 4566 O OG . SER B 1 198 ? -21.726 -16.364 -25.810 1.00 14.96 ? 279 SER B OG 1 ATOM 4567 N N . CYS B 1 199 ? -26.216 -17.398 -24.900 1.00 14.93 ? 280 CYS B N 1 ATOM 4568 C CA . CYS B 1 199 ? -27.640 -17.599 -25.137 1.00 15.42 ? 280 CYS B CA 1 ATOM 4569 C C . CYS B 1 199 ? -28.415 -16.316 -24.954 1.00 15.26 ? 280 CYS B C 1 ATOM 4570 O O . CYS B 1 199 ? -28.005 -15.426 -24.201 1.00 15.13 ? 280 CYS B O 1 ATOM 4571 C CB . CYS B 1 199 ? -28.191 -18.655 -24.178 1.00 15.76 ? 280 CYS B CB 1 ATOM 4572 S SG . CYS B 1 199 ? -27.329 -20.240 -24.257 1.00 16.13 ? 280 CYS B SG 1 ATOM 4573 N N . TYR B 1 200 ? -29.552 -16.240 -25.635 1.00 15.32 ? 281 TYR B N 1 ATOM 4574 C CA . TYR B 1 200 ? -30.425 -15.085 -25.532 1.00 15.28 ? 281 TYR B CA 1 ATOM 4575 C C . TYR B 1 200 ? -31.878 -15.479 -25.716 1.00 15.83 ? 281 TYR B C 1 ATOM 4576 O O . TYR B 1 200 ? -32.181 -16.445 -26.419 1.00 15.89 ? 281 TYR B O 1 ATOM 4577 C CB . TYR B 1 200 ? -30.030 -14.003 -26.547 1.00 15.12 ? 281 TYR B CB 1 ATOM 4578 C CG . TYR B 1 200 ? -30.017 -14.413 -28.013 1.00 15.12 ? 281 TYR B CG 1 ATOM 4579 C CD1 . TYR B 1 200 ? -31.139 -14.247 -28.820 1.00 15.34 ? 281 TYR B CD1 1 ATOM 4580 C CD2 . TYR B 1 200 ? -28.858 -14.906 -28.608 1.00 14.98 ? 281 TYR B CD2 1 ATOM 4581 C CE1 . TYR B 1 200 ? -31.115 -14.590 -30.167 1.00 15.50 ? 281 TYR B CE1 1 ATOM 4582 C CE2 . TYR B 1 200 ? -28.822 -15.248 -29.951 1.00 15.16 ? 281 TYR B CE2 1 ATOM 4583 C CZ . TYR B 1 200 ? -29.949 -15.090 -30.728 1.00 15.50 ? 281 TYR B CZ 1 ATOM 4584 O OH . TYR B 1 200 ? -29.907 -15.421 -32.068 1.00 15.92 ? 281 TYR B OH 1 ATOM 4585 N N . PRO B 1 201 ? -32.786 -14.738 -25.066 1.00 16.26 ? 282 PRO B N 1 ATOM 4586 C CA . PRO B 1 201 ? -34.201 -15.007 -25.260 1.00 16.75 ? 282 PRO B CA 1 ATOM 4587 C C . PRO B 1 201 ? -34.620 -14.635 -26.676 1.00 17.29 ? 282 PRO B C 1 ATOM 4588 O O . PRO B 1 201 ? -34.254 -13.567 -27.171 1.00 16.82 ? 282 PRO B O 1 ATOM 4589 C CB . PRO B 1 201 ? -34.882 -14.101 -24.231 1.00 16.63 ? 282 PRO B CB 1 ATOM 4590 C CG . PRO B 1 201 ? -33.917 -12.994 -23.998 1.00 16.35 ? 282 PRO B CG 1 ATOM 4591 C CD . PRO B 1 201 ? -32.554 -13.601 -24.154 1.00 16.08 ? 282 PRO B CD 1 ATOM 4592 N N . ARG B 1 202 ? -35.338 -15.544 -27.326 1.00 18.28 ? 283 ARG B N 1 ATOM 4593 C CA . ARG B 1 202 ? -35.956 -15.278 -28.613 1.00 19.41 ? 283 ARG B CA 1 ATOM 4594 C C . ARG B 1 202 ? -37.371 -15.842 -28.499 1.00 20.08 ? 283 ARG B C 1 ATOM 4595 O O . ARG B 1 202 ? -37.663 -16.939 -28.988 1.00 19.98 ? 283 ARG B O 1 ATOM 4596 C CB . ARG B 1 202 ? -35.160 -15.930 -29.748 1.00 20.19 ? 283 ARG B CB 1 ATOM 4597 C CG . ARG B 1 202 ? -35.562 -15.436 -31.131 1.00 21.24 ? 283 ARG B CG 1 ATOM 4598 C CD . ARG B 1 202 ? -34.809 -16.142 -32.247 1.00 22.05 ? 283 ARG B CD 1 ATOM 4599 N NE . ARG B 1 202 ? -35.173 -15.595 -33.556 1.00 22.99 ? 283 ARG B NE 1 ATOM 4600 C CZ . ARG B 1 202 ? -36.295 -15.881 -34.222 1.00 24.62 ? 283 ARG B CZ 1 ATOM 4601 N NH1 . ARG B 1 202 ? -37.197 -16.723 -33.721 1.00 25.44 ? 283 ARG B NH1 1 ATOM 4602 N NH2 . ARG B 1 202 ? -36.524 -15.316 -35.407 1.00 25.19 ? 283 ARG B NH2 1 ATOM 4603 N N . TYR B 1 203 ? -38.224 -15.079 -27.816 1.00 20.34 ? 284 TYR B N 1 ATOM 4604 C CA . TYR B 1 203 ? -39.540 -15.547 -27.387 1.00 21.43 ? 284 TYR B CA 1 ATOM 4605 C C . TYR B 1 203 ? -40.272 -16.227 -28.533 1.00 21.68 ? 284 TYR B C 1 ATOM 4606 O O . TYR B 1 203 ? -40.282 -15.698 -29.641 1.00 21.82 ? 284 TYR B O 1 ATOM 4607 C CB . TYR B 1 203 ? -40.399 -14.388 -26.863 1.00 22.11 ? 284 TYR B CB 1 ATOM 4608 C CG . TYR B 1 203 ? -41.656 -14.865 -26.184 1.00 22.84 ? 284 TYR B CG 1 ATOM 4609 C CD1 . TYR B 1 203 ? -41.636 -15.245 -24.850 1.00 23.10 ? 284 TYR B CD1 1 ATOM 4610 C CD2 . TYR B 1 203 ? -42.858 -14.978 -26.882 1.00 23.91 ? 284 TYR B CD2 1 ATOM 4611 C CE1 . TYR B 1 203 ? -42.774 -15.713 -24.215 1.00 24.11 ? 284 TYR B CE1 1 ATOM 4612 C CE2 . TYR B 1 203 ? -44.005 -15.446 -26.257 1.00 24.65 ? 284 TYR B CE2 1 ATOM 4613 C CZ . TYR B 1 203 ? -43.955 -15.809 -24.922 1.00 24.75 ? 284 TYR B CZ 1 ATOM 4614 O OH . TYR B 1 203 ? -45.080 -16.269 -24.284 1.00 25.82 ? 284 TYR B OH 1 ATOM 4615 N N . PRO B 1 204 ? -40.896 -17.392 -28.274 1.00 21.58 ? 285 PRO B N 1 ATOM 4616 C CA . PRO B 1 204 ? -41.079 -18.094 -27.000 1.00 21.26 ? 285 PRO B CA 1 ATOM 4617 C C . PRO B 1 204 ? -39.924 -19.001 -26.545 1.00 20.40 ? 285 PRO B C 1 ATOM 4618 O O . PRO B 1 204 ? -40.062 -19.695 -25.538 1.00 20.47 ? 285 PRO B O 1 ATOM 4619 C CB . PRO B 1 204 ? -42.326 -18.940 -27.266 1.00 21.76 ? 285 PRO B CB 1 ATOM 4620 C CG . PRO B 1 204 ? -42.224 -19.278 -28.708 1.00 22.02 ? 285 PRO B CG 1 ATOM 4621 C CD . PRO B 1 204 ? -41.547 -18.116 -29.384 1.00 22.14 ? 285 PRO B CD 1 ATOM 4622 N N . GLY B 1 205 ? -38.795 -18.987 -27.251 1.00 19.62 ? 286 GLY B N 1 ATOM 4623 C CA . GLY B 1 205 ? -37.691 -19.883 -26.938 1.00 18.72 ? 286 GLY B CA 1 ATOM 4624 C C . GLY B 1 205 ? -36.398 -19.180 -26.563 1.00 17.85 ? 286 GLY B C 1 ATOM 4625 O O . GLY B 1 205 ? -36.369 -17.972 -26.325 1.00 17.33 ? 286 GLY B O 1 ATOM 4626 N N . VAL B 1 206 ? -35.333 -19.966 -26.491 1.00 17.21 ? 287 VAL B N 1 ATOM 4627 C CA . VAL B 1 206 ? -34.002 -19.449 -26.222 1.00 16.70 ? 287 VAL B CA 1 ATOM 4628 C C . VAL B 1 206 ? -33.077 -19.959 -27.324 1.00 16.83 ? 287 VAL B C 1 ATOM 4629 O O . VAL B 1 206 ? -33.193 -21.106 -27.760 1.00 16.70 ? 287 VAL B O 1 ATOM 4630 C CB . VAL B 1 206 ? -33.508 -19.883 -24.825 1.00 16.55 ? 287 VAL B CB 1 ATOM 4631 C CG1 . VAL B 1 206 ? -32.053 -19.472 -24.596 1.00 16.01 ? 287 VAL B CG1 1 ATOM 4632 C CG2 . VAL B 1 206 ? -34.405 -19.294 -23.748 1.00 16.57 ? 287 VAL B CG2 1 ATOM 4633 N N . ARG B 1 207 ? -32.177 -19.089 -27.778 1.00 16.78 ? 288 ARG B N 1 ATOM 4634 C CA . ARG B 1 207 ? -31.223 -19.412 -28.827 1.00 16.99 ? 288 ARG B CA 1 ATOM 4635 C C . ARG B 1 207 ? -29.808 -19.148 -28.325 1.00 16.64 ? 288 ARG B C 1 ATOM 4636 O O . ARG B 1 207 ? -29.555 -18.125 -27.687 1.00 16.27 ? 288 ARG B O 1 ATOM 4637 C CB . ARG B 1 207 ? -31.506 -18.565 -30.059 1.00 17.70 ? 288 ARG B CB 1 ATOM 4638 C CG . ARG B 1 207 ? -30.541 -18.781 -31.212 1.00 18.21 ? 288 ARG B CG 1 ATOM 4639 C CD . ARG B 1 207 ? -31.154 -18.300 -32.518 1.00 19.19 ? 288 ARG B CD 1 ATOM 4640 N NE . ARG B 1 207 ? -32.161 -19.238 -33.013 1.00 19.85 ? 288 ARG B NE 1 ATOM 4641 C CZ . ARG B 1 207 ? -32.997 -18.994 -34.022 1.00 20.93 ? 288 ARG B CZ 1 ATOM 4642 N NH1 . ARG B 1 207 ? -32.973 -17.835 -34.666 1.00 21.18 ? 288 ARG B NH1 1 ATOM 4643 N NH2 . ARG B 1 207 ? -33.863 -19.925 -34.397 1.00 21.84 ? 288 ARG B NH2 1 ATOM 4644 N N . CYS B 1 208 ? -28.902 -20.080 -28.615 1.00 16.36 ? 289 CYS B N 1 ATOM 4645 C CA . CYS B 1 208 ? -27.516 -19.987 -28.177 1.00 16.45 ? 289 CYS B CA 1 ATOM 4646 C C . CYS B 1 208 ? -26.585 -20.118 -29.362 1.00 16.39 ? 289 CYS B C 1 ATOM 4647 O O . CYS B 1 208 ? -26.818 -20.946 -30.243 1.00 16.54 ? 289 CYS B O 1 ATOM 4648 C CB . CYS B 1 208 ? -27.175 -21.090 -27.179 1.00 16.56 ? 289 CYS B CB 1 ATOM 4649 S SG . CYS B 1 208 ? -28.278 -21.243 -25.759 1.00 16.95 ? 289 CYS B SG 1 ATOM 4650 N N . ILE B 1 209 ? -25.537 -19.298 -29.375 1.00 16.12 ? 290 ILE B N 1 ATOM 4651 C CA . ILE B 1 209 ? -24.435 -19.439 -30.323 1.00 16.34 ? 290 ILE B CA 1 ATOM 4652 C C . ILE B 1 209 ? -23.229 -19.810 -29.466 1.00 15.72 ? 290 ILE B C 1 ATOM 4653 O O . ILE B 1 209 ? -22.928 -19.130 -28.484 1.00 15.16 ? 290 ILE B O 1 ATOM 4654 C CB . ILE B 1 209 ? -24.193 -18.143 -31.135 1.00 16.90 ? 290 ILE B CB 1 ATOM 4655 C CG1 . ILE B 1 209 ? -25.141 -18.044 -32.339 1.00 17.59 ? 290 ILE B CG1 1 ATOM 4656 C CG2 . ILE B 1 209 ? -22.780 -18.117 -31.703 1.00 16.97 ? 290 ILE B CG2 1 ATOM 4657 C CD1 . ILE B 1 209 ? -26.615 -18.064 -32.037 1.00 17.87 ? 290 ILE B CD1 1 ATOM 4658 N N . CYS B 1 210 ? -22.556 -20.902 -29.813 1.00 15.78 ? 291 CYS B N 1 ATOM 4659 C CA . CYS B 1 210 ? -21.573 -21.497 -28.908 1.00 15.48 ? 291 CYS B CA 1 ATOM 4660 C C . CYS B 1 210 ? -20.199 -21.650 -29.577 1.00 15.18 ? 291 CYS B C 1 ATOM 4661 O O . CYS B 1 210 ? -19.903 -20.983 -30.576 1.00 14.80 ? 291 CYS B O 1 ATOM 4662 C CB . CYS B 1 210 ? -22.110 -22.839 -28.373 1.00 15.91 ? 291 CYS B CB 1 ATOM 4663 S SG . CYS B 1 210 ? -23.878 -22.814 -27.934 1.00 16.41 ? 291 CYS B SG 1 ATOM 4664 N N . ARG B 1 211 ? -19.371 -22.507 -28.992 1.00 14.92 ? 292 ARG B N 1 ATOM 4665 C CA . ARG B 1 211 ? -18.007 -22.760 -29.442 1.00 14.96 ? 292 ARG B CA 1 ATOM 4666 C C . ARG B 1 211 ? -17.862 -24.258 -29.724 1.00 15.31 ? 292 ARG B C 1 ATOM 4667 O O . ARG B 1 211 ? -18.126 -25.085 -28.850 1.00 15.23 ? 292 ARG B O 1 ATOM 4668 C CB . ARG B 1 211 ? -17.036 -22.320 -28.337 1.00 14.79 ? 292 ARG B CB 1 ATOM 4669 C CG . ARG B 1 211 ? -15.597 -22.815 -28.457 1.00 14.69 ? 292 ARG B CG 1 ATOM 4670 C CD . ARG B 1 211 ? -14.808 -22.385 -27.229 1.00 14.49 ? 292 ARG B CD 1 ATOM 4671 N NE . ARG B 1 211 ? -13.478 -22.980 -27.154 1.00 14.64 ? 292 ARG B NE 1 ATOM 4672 C CZ . ARG B 1 211 ? -12.543 -22.637 -26.269 1.00 14.48 ? 292 ARG B CZ 1 ATOM 4673 N NH1 . ARG B 1 211 ? -12.772 -21.681 -25.375 1.00 14.20 ? 292 ARG B NH1 1 ATOM 4674 N NH2 . ARG B 1 211 ? -11.361 -23.247 -26.286 1.00 14.67 ? 292 ARG B NH2 1 ATOM 4675 N N . ASP B 1 212 ? -17.475 -24.598 -30.951 1.00 15.79 ? 293 ASP B N 1 ATOM 4676 C CA . ASP B 1 212 ? -17.106 -25.968 -31.313 1.00 16.27 ? 293 ASP B CA 1 ATOM 4677 C C . ASP B 1 212 ? -15.586 -26.063 -31.170 1.00 16.44 ? 293 ASP B C 1 ATOM 4678 O O . ASP B 1 212 ? -14.844 -25.391 -31.879 1.00 16.35 ? 293 ASP B O 1 ATOM 4679 C CB . ASP B 1 212 ? -17.560 -26.273 -32.747 1.00 16.49 ? 293 ASP B CB 1 ATOM 4680 C CG . ASP B 1 212 ? -17.218 -27.686 -33.197 1.00 16.91 ? 293 ASP B CG 1 ATOM 4681 O OD1 . ASP B 1 212 ? -16.117 -28.175 -32.892 1.00 16.85 ? 293 ASP B OD1 1 ATOM 4682 O OD2 . ASP B 1 212 ? -18.053 -28.304 -33.891 1.00 17.22 ? 293 ASP B OD2 1 ATOM 4683 N N . ASN B 1 213 ? -15.129 -26.888 -30.235 1.00 16.89 ? 294 ASN B N 1 ATOM 4684 C CA . ASN B 1 213 ? -13.708 -26.997 -29.908 1.00 17.26 ? 294 ASN B CA 1 ATOM 4685 C C . ASN B 1 213 ? -13.027 -28.172 -30.600 1.00 17.68 ? 294 ASN B C 1 ATOM 4686 O O . ASN B 1 213 ? -11.843 -28.428 -30.376 1.00 17.88 ? 294 ASN B O 1 ATOM 4687 C CB . ASN B 1 213 ? -13.537 -27.140 -28.391 1.00 17.42 ? 294 ASN B CB 1 ATOM 4688 C CG . ASN B 1 213 ? -12.279 -26.458 -27.879 1.00 17.69 ? 294 ASN B CG 1 ATOM 4689 O OD1 . ASN B 1 213 ? -12.096 -25.262 -28.081 1.00 17.56 ? 294 ASN B OD1 1 ATOM 4690 N ND2 . ASN B 1 213 ? -11.407 -27.215 -27.217 1.00 17.98 ? 294 ASN B ND2 1 ATOM 4691 N N . TRP B 1 214 ? -13.773 -28.874 -31.446 1.00 17.95 ? 295 TRP B N 1 ATOM 4692 C CA . TRP B 1 214 ? -13.335 -30.144 -32.015 1.00 18.53 ? 295 TRP B CA 1 ATOM 4693 C C . TRP B 1 214 ? -13.085 -30.020 -33.525 1.00 18.80 ? 295 TRP B C 1 ATOM 4694 O O . TRP B 1 214 ? -11.935 -30.058 -33.965 1.00 19.21 ? 295 TRP B O 1 ATOM 4695 C CB . TRP B 1 214 ? -14.390 -31.214 -31.685 1.00 18.77 ? 295 TRP B CB 1 ATOM 4696 C CG . TRP B 1 214 ? -14.156 -32.580 -32.254 1.00 19.38 ? 295 TRP B CG 1 ATOM 4697 C CD1 . TRP B 1 214 ? -12.967 -33.124 -32.650 1.00 19.72 ? 295 TRP B CD1 1 ATOM 4698 C CD2 . TRP B 1 214 ? -15.146 -33.594 -32.450 1.00 19.88 ? 295 TRP B CD2 1 ATOM 4699 N NE1 . TRP B 1 214 ? -13.161 -34.406 -33.106 1.00 20.25 ? 295 TRP B NE1 1 ATOM 4700 C CE2 . TRP B 1 214 ? -14.490 -34.722 -32.989 1.00 20.33 ? 295 TRP B CE2 1 ATOM 4701 C CE3 . TRP B 1 214 ? -16.528 -33.656 -32.228 1.00 20.00 ? 295 TRP B CE3 1 ATOM 4702 C CZ2 . TRP B 1 214 ? -15.169 -35.898 -33.313 1.00 20.64 ? 295 TRP B CZ2 1 ATOM 4703 C CZ3 . TRP B 1 214 ? -17.203 -34.827 -32.547 1.00 20.36 ? 295 TRP B CZ3 1 ATOM 4704 C CH2 . TRP B 1 214 ? -16.521 -35.930 -33.090 1.00 20.79 ? 295 TRP B CH2 1 ATOM 4705 N N . LYS B 1 215 ? -14.144 -29.843 -34.314 1.00 18.69 ? 296 LYS B N 1 ATOM 4706 C CA . LYS B 1 215 ? -14.013 -29.835 -35.777 1.00 18.84 ? 296 LYS B CA 1 ATOM 4707 C C . LYS B 1 215 ? -14.466 -28.561 -36.492 1.00 18.16 ? 296 LYS B C 1 ATOM 4708 O O . LYS B 1 215 ? -14.333 -28.468 -37.713 1.00 18.07 ? 296 LYS B O 1 ATOM 4709 C CB . LYS B 1 215 ? -14.771 -31.027 -36.369 1.00 19.66 ? 296 LYS B CB 1 ATOM 4710 C CG . LYS B 1 215 ? -14.230 -32.370 -35.917 1.00 20.41 ? 296 LYS B CG 1 ATOM 4711 C CD . LYS B 1 215 ? -14.868 -33.530 -36.661 1.00 21.30 ? 296 LYS B CD 1 ATOM 4712 C CE . LYS B 1 215 ? -16.300 -33.759 -36.225 1.00 21.56 ? 296 LYS B CE 1 ATOM 4713 N NZ . LYS B 1 215 ? -16.891 -34.923 -36.948 1.00 22.33 ? 296 LYS B NZ 1 ATOM 4714 N N . GLY B 1 216 ? -14.989 -27.580 -35.760 1.00 17.27 ? 297 GLY B N 1 ATOM 4715 C CA . GLY B 1 216 ? -15.576 -26.401 -36.399 1.00 16.87 ? 297 GLY B CA 1 ATOM 4716 C C . GLY B 1 216 ? -14.946 -25.079 -36.006 1.00 16.45 ? 297 GLY B C 1 ATOM 4717 O O . GLY B 1 216 ? -14.716 -24.831 -34.828 1.00 16.20 ? 297 GLY B O 1 ATOM 4718 N N . SER B 1 217 ? -14.647 -24.246 -37.003 1.00 16.42 ? 298 SER B N 1 ATOM 4719 C CA . SER B 1 217 ? -14.361 -22.827 -36.782 1.00 16.14 ? 298 SER B CA 1 ATOM 4720 C C . SER B 1 217 ? -15.615 -21.996 -37.071 1.00 15.81 ? 298 SER B C 1 ATOM 4721 O O . SER B 1 217 ? -15.657 -20.794 -36.791 1.00 15.58 ? 298 SER B O 1 ATOM 4722 C CB . SER B 1 217 ? -13.182 -22.345 -37.631 1.00 16.34 ? 298 SER B CB 1 ATOM 4723 O OG . SER B 1 217 ? -13.361 -22.639 -39.003 1.00 16.47 ? 298 SER B OG 1 ATOM 4724 N N . ASN B 1 218 ? -16.633 -22.641 -37.636 1.00 15.84 ? 299 ASN B N 1 ATOM 4725 C CA . ASN B 1 218 ? -17.985 -22.083 -37.634 1.00 15.69 ? 299 ASN B CA 1 ATOM 4726 C C . ASN B 1 218 ? -18.634 -22.342 -36.273 1.00 15.45 ? 299 ASN B C 1 ATOM 4727 O O . ASN B 1 218 ? -18.348 -23.355 -35.633 1.00 15.56 ? 299 ASN B O 1 ATOM 4728 C CB . ASN B 1 218 ? -18.843 -22.604 -38.810 1.00 16.01 ? 299 ASN B CB 1 ATOM 4729 C CG . ASN B 1 218 ? -18.830 -24.126 -38.969 1.00 16.10 ? 299 ASN B CG 1 ATOM 4730 O OD1 . ASN B 1 218 ? -17.931 -24.836 -38.501 1.00 16.07 ? 299 ASN B OD1 1 ATOM 4731 N ND2 . ASN B 1 218 ? -19.841 -24.631 -39.669 1.00 16.22 ? 299 ASN B ND2 1 ATOM 4732 N N . ARG B 1 219 ? -19.471 -21.414 -35.815 1.00 15.16 ? 300 ARG B N 1 ATOM 4733 C CA . ARG B 1 219 ? -20.055 -21.510 -34.480 1.00 15.09 ? 300 ARG B CA 1 ATOM 4734 C C . ARG B 1 219 ? -21.346 -22.319 -34.494 1.00 15.69 ? 300 ARG B C 1 ATOM 4735 O O . ARG B 1 219 ? -22.220 -22.079 -35.327 1.00 15.53 ? 300 ARG B O 1 ATOM 4736 C CB . ARG B 1 219 ? -20.329 -20.130 -33.884 1.00 14.78 ? 300 ARG B CB 1 ATOM 4737 C CG . ARG B 1 219 ? -19.067 -19.356 -33.513 1.00 14.55 ? 300 ARG B CG 1 ATOM 4738 C CD . ARG B 1 219 ? -19.342 -18.215 -32.546 1.00 14.33 ? 300 ARG B CD 1 ATOM 4739 N NE . ARG B 1 219 ? -18.089 -17.556 -32.151 1.00 14.08 ? 300 ARG B NE 1 ATOM 4740 C CZ . ARG B 1 219 ? -17.210 -18.048 -31.280 1.00 14.04 ? 300 ARG B CZ 1 ATOM 4741 N NH1 . ARG B 1 219 ? -17.432 -19.210 -30.659 1.00 14.16 ? 300 ARG B NH1 1 ATOM 4742 N NH2 . ARG B 1 219 ? -16.089 -17.372 -31.029 1.00 13.95 ? 300 ARG B NH2 1 ATOM 4743 N N . PRO B 1 220 ? -21.467 -23.275 -33.562 1.00 15.92 ? 301 PRO B N 1 ATOM 4744 C CA . PRO B 1 220 ? -22.706 -24.028 -33.458 1.00 16.42 ? 301 PRO B CA 1 ATOM 4745 C C . PRO B 1 220 ? -23.855 -23.177 -32.919 1.00 16.68 ? 301 PRO B C 1 ATOM 4746 O O . PRO B 1 220 ? -23.625 -22.164 -32.250 1.00 16.74 ? 301 PRO B O 1 ATOM 4747 C CB . PRO B 1 220 ? -22.365 -25.178 -32.501 1.00 16.47 ? 301 PRO B CB 1 ATOM 4748 C CG . PRO B 1 220 ? -21.077 -24.829 -31.856 1.00 16.28 ? 301 PRO B CG 1 ATOM 4749 C CD . PRO B 1 220 ? -20.400 -23.787 -32.682 1.00 16.02 ? 301 PRO B CD 1 ATOM 4750 N N . VAL B 1 221 ? -25.077 -23.585 -33.242 1.00 17.09 ? 302 VAL B N 1 ATOM 4751 C CA . VAL B 1 221 ? -26.295 -22.956 -32.743 1.00 17.38 ? 302 VAL B CA 1 ATOM 4752 C C . VAL B 1 221 ? -27.050 -24.019 -31.958 1.00 17.71 ? 302 VAL B C 1 ATOM 4753 O O . VAL B 1 221 ? -27.129 -25.160 -32.401 1.00 17.63 ? 302 VAL B O 1 ATOM 4754 C CB . VAL B 1 221 ? -27.193 -22.478 -33.904 1.00 17.87 ? 302 VAL B CB 1 ATOM 4755 C CG1 . VAL B 1 221 ? -28.545 -21.991 -33.395 1.00 18.02 ? 302 VAL B CG1 1 ATOM 4756 C CG2 . VAL B 1 221 ? -26.495 -21.393 -34.716 1.00 18.07 ? 302 VAL B CG2 1 ATOM 4757 N N . VAL B 1 222 ? -27.583 -23.650 -30.794 1.00 17.75 ? 303 VAL B N 1 ATOM 4758 C CA . VAL B 1 222 ? -28.479 -24.522 -30.037 1.00 17.87 ? 303 VAL B CA 1 ATOM 4759 C C . VAL B 1 222 ? -29.789 -23.767 -29.829 1.00 18.20 ? 303 VAL B C 1 ATOM 4760 O O . VAL B 1 222 ? -29.792 -22.632 -29.346 1.00 17.37 ? 303 VAL B O 1 ATOM 4761 C CB . VAL B 1 222 ? -27.878 -24.947 -28.677 1.00 17.76 ? 303 VAL B CB 1 ATOM 4762 C CG1 . VAL B 1 222 ? -28.848 -25.839 -27.910 1.00 17.93 ? 303 VAL B CG1 1 ATOM 4763 C CG2 . VAL B 1 222 ? -26.545 -25.662 -28.874 1.00 17.91 ? 303 VAL B CG2 1 ATOM 4764 N N . ASP B 1 223 ? -30.894 -24.395 -30.225 1.00 18.96 ? 304 ASP B N 1 ATOM 4765 C CA . ASP B 1 223 ? -32.224 -23.828 -30.041 1.00 19.91 ? 304 ASP B CA 1 ATOM 4766 C C . ASP B 1 223 ? -32.975 -24.628 -28.989 1.00 19.68 ? 304 ASP B C 1 ATOM 4767 O O . ASP B 1 223 ? -33.091 -25.852 -29.089 1.00 19.59 ? 304 ASP B O 1 ATOM 4768 C CB . ASP B 1 223 ? -33.019 -23.839 -31.351 1.00 21.31 ? 304 ASP B CB 1 ATOM 4769 C CG . ASP B 1 223 ? -32.644 -22.701 -32.273 1.00 22.50 ? 304 ASP B CG 1 ATOM 4770 O OD1 . ASP B 1 223 ? -32.308 -21.607 -31.779 1.00 23.70 ? 304 ASP B OD1 1 ATOM 4771 O OD2 . ASP B 1 223 ? -32.688 -22.894 -33.503 1.00 24.73 ? 304 ASP B OD2 1 ATOM 4772 N N . ILE B 1 224 ? -33.501 -23.915 -28.001 1.00 19.29 ? 305 ILE B N 1 ATOM 4773 C CA . ILE B 1 224 ? -34.112 -24.524 -26.839 1.00 19.31 ? 305 ILE B CA 1 ATOM 4774 C C . ILE B 1 224 ? -35.591 -24.170 -26.818 1.00 19.70 ? 305 ILE B C 1 ATOM 4775 O O . ILE B 1 224 ? -35.952 -22.997 -26.725 1.00 19.33 ? 305 ILE B O 1 ATOM 4776 C CB . ILE B 1 224 ? -33.441 -24.017 -25.545 1.00 18.85 ? 305 ILE B CB 1 ATOM 4777 C CG1 . ILE B 1 224 ? -31.929 -24.262 -25.596 1.00 18.58 ? 305 ILE B CG1 1 ATOM 4778 C CG2 . ILE B 1 224 ? -34.070 -24.669 -24.318 1.00 19.04 ? 305 ILE B CG2 1 ATOM 4779 C CD1 . ILE B 1 224 ? -31.159 -23.627 -24.460 1.00 18.09 ? 305 ILE B CD1 1 ATOM 4780 N N . ASN B 1 225 ? -36.440 -25.188 -26.925 1.00 20.32 ? 306 ASN B N 1 ATOM 4781 C CA . ASN B 1 225 ? -37.880 -25.008 -26.803 1.00 21.27 ? 306 ASN B CA 1 ATOM 4782 C C . ASN B 1 225 ? -38.257 -25.042 -25.325 1.00 21.79 ? 306 ASN B C 1 ATOM 4783 O O . ASN B 1 225 ? -38.095 -26.060 -24.663 1.00 21.58 ? 306 ASN B O 1 ATOM 4784 C CB . ASN B 1 225 ? -38.621 -26.093 -27.588 1.00 21.82 ? 306 ASN B CB 1 ATOM 4785 C CG . ASN B 1 225 ? -40.131 -25.875 -27.617 1.00 22.48 ? 306 ASN B CG 1 ATOM 4786 O OD1 . ASN B 1 225 ? -40.749 -25.592 -26.595 1.00 22.91 ? 306 ASN B OD1 1 ATOM 4787 N ND2 . ASN B 1 225 ? -40.726 -26.021 -28.791 1.00 22.96 ? 306 ASN B ND2 1 ATOM 4788 N N . MET B 1 226 ? -38.741 -23.917 -24.811 1.00 22.96 ? 307 MET B N 1 ATOM 4789 C CA . MET B 1 226 ? -39.063 -23.794 -23.393 1.00 24.03 ? 307 MET B CA 1 ATOM 4790 C C . MET B 1 226 ? -40.417 -24.412 -23.044 1.00 26.29 ? 307 MET B C 1 ATOM 4791 O O . MET B 1 226 ? -40.702 -24.630 -21.869 1.00 26.75 ? 307 MET B O 1 ATOM 4792 C CB . MET B 1 226 ? -39.043 -22.321 -22.966 1.00 23.63 ? 307 MET B CB 1 ATOM 4793 C CG . MET B 1 226 ? -37.700 -21.636 -23.169 1.00 23.06 ? 307 MET B CG 1 ATOM 4794 S SD . MET B 1 226 ? -36.413 -22.306 -22.106 1.00 22.32 ? 307 MET B SD 1 ATOM 4795 C CE . MET B 1 226 ? -36.822 -21.534 -20.542 1.00 22.63 ? 307 MET B CE 1 ATOM 4796 N N . GLU B 1 227 ? -41.235 -24.701 -24.056 1.00 28.63 ? 308 GLU B N 1 ATOM 4797 C CA . GLU B 1 227 ? -42.560 -25.306 -23.844 1.00 30.80 ? 308 GLU B CA 1 ATOM 4798 C C . GLU B 1 227 ? -42.501 -26.817 -23.626 1.00 29.62 ? 308 GLU B C 1 ATOM 4799 O O . GLU B 1 227 ? -43.134 -27.329 -22.708 1.00 30.52 ? 308 GLU B O 1 ATOM 4800 C CB . GLU B 1 227 ? -43.499 -25.015 -25.024 1.00 33.61 ? 308 GLU B CB 1 ATOM 4801 C CG . GLU B 1 227 ? -44.611 -24.013 -24.742 1.00 36.67 ? 308 GLU B CG 1 ATOM 4802 C CD . GLU B 1 227 ? -44.230 -22.591 -25.101 1.00 38.60 ? 308 GLU B CD 1 ATOM 4803 O OE1 . GLU B 1 227 ? -44.855 -22.022 -26.027 1.00 41.06 ? 308 GLU B OE1 1 ATOM 4804 O OE2 . GLU B 1 227 ? -43.298 -22.049 -24.466 1.00 40.49 ? 308 GLU B OE2 1 ATOM 4805 N N . ASP B 1 228 ? -41.769 -27.530 -24.482 1.00 27.82 ? 309 ASP B N 1 ATOM 4806 C CA . ASP B 1 228 ? -41.691 -28.993 -24.389 1.00 26.86 ? 309 ASP B CA 1 ATOM 4807 C C . ASP B 1 228 ? -40.280 -29.534 -24.142 1.00 25.40 ? 309 ASP B C 1 ATOM 4808 O O . ASP B 1 228 ? -40.072 -30.745 -24.166 1.00 25.00 ? 309 ASP B O 1 ATOM 4809 C CB . ASP B 1 228 ? -42.333 -29.657 -25.625 1.00 27.44 ? 309 ASP B CB 1 ATOM 4810 C CG . ASP B 1 228 ? -41.554 -29.418 -26.916 1.00 27.43 ? 309 ASP B CG 1 ATOM 4811 O OD1 . ASP B 1 228 ? -40.440 -28.876 -26.884 1.00 25.95 ? 309 ASP B OD1 1 ATOM 4812 O OD2 . ASP B 1 228 ? -42.069 -29.797 -27.987 1.00 28.17 ? 309 ASP B OD2 1 ATOM 4813 N N . TYR B 1 229 ? -39.326 -28.635 -23.905 1.00 23.99 ? 310 TYR B N 1 ATOM 4814 C CA . TYR B 1 229 ? -37.938 -29.002 -23.573 1.00 23.22 ? 310 TYR B CA 1 ATOM 4815 C C . TYR B 1 229 ? -37.150 -29.622 -24.726 1.00 22.35 ? 310 TYR B C 1 ATOM 4816 O O . TYR B 1 229 ? -36.040 -30.131 -24.515 1.00 22.01 ? 310 TYR B O 1 ATOM 4817 C CB . TYR B 1 229 ? -37.882 -29.946 -22.362 1.00 23.86 ? 310 TYR B CB 1 ATOM 4818 C CG . TYR B 1 229 ? -38.638 -29.469 -21.143 1.00 24.61 ? 310 TYR B CG 1 ATOM 4819 C CD1 . TYR B 1 229 ? -38.505 -28.165 -20.684 1.00 24.74 ? 310 TYR B CD1 1 ATOM 4820 C CD2 . TYR B 1 229 ? -39.477 -30.332 -20.434 1.00 25.69 ? 310 TYR B CD2 1 ATOM 4821 C CE1 . TYR B 1 229 ? -39.187 -27.726 -19.561 1.00 25.39 ? 310 TYR B CE1 1 ATOM 4822 C CE2 . TYR B 1 229 ? -40.160 -29.902 -19.307 1.00 26.02 ? 310 TYR B CE2 1 ATOM 4823 C CZ . TYR B 1 229 ? -40.010 -28.597 -18.877 1.00 26.19 ? 310 TYR B CZ 1 ATOM 4824 O OH . TYR B 1 229 ? -40.683 -28.153 -17.761 1.00 27.35 ? 310 TYR B OH 1 ATOM 4825 N N . SER B 1 230 ? -37.693 -29.561 -25.941 1.00 21.65 ? 311 SER B N 1 ATOM 4826 C CA . SER B 1 230 ? -37.025 -30.145 -27.098 1.00 21.02 ? 311 SER B CA 1 ATOM 4827 C C . SER B 1 230 ? -35.865 -29.258 -27.543 1.00 20.29 ? 311 SER B C 1 ATOM 4828 O O . SER B 1 230 ? -35.883 -28.040 -27.342 1.00 19.66 ? 311 SER B O 1 ATOM 4829 C CB . SER B 1 230 ? -38.005 -30.383 -28.257 1.00 21.46 ? 311 SER B CB 1 ATOM 4830 O OG . SER B 1 230 ? -38.594 -29.182 -28.722 1.00 21.67 ? 311 SER B OG 1 ATOM 4831 N N . ILE B 1 231 ? -34.865 -29.895 -28.144 1.00 19.73 ? 312 ILE B N 1 ATOM 4832 C CA . ILE B 1 231 ? -33.611 -29.242 -28.508 1.00 19.58 ? 312 ILE B CA 1 ATOM 4833 C C . ILE B 1 231 ? -33.349 -29.459 -29.992 1.00 19.96 ? 312 ILE B C 1 ATOM 4834 O O . ILE B 1 231 ? -33.608 -30.540 -30.523 1.00 20.19 ? 312 ILE B O 1 ATOM 4835 C CB . ILE B 1 231 ? -32.431 -29.832 -27.704 1.00 19.07 ? 312 ILE B CB 1 ATOM 4836 C CG1 . ILE B 1 231 ? -32.725 -29.812 -26.195 1.00 18.83 ? 312 ILE B CG1 1 ATOM 4837 C CG2 . ILE B 1 231 ? -31.127 -29.102 -28.017 1.00 18.75 ? 312 ILE B CG2 1 ATOM 4838 C CD1 . ILE B 1 231 ? -32.863 -28.431 -25.586 1.00 18.63 ? 312 ILE B CD1 1 ATOM 4839 N N . ASP B 1 232 ? -32.854 -28.420 -30.656 1.00 20.05 ? 313 ASP B N 1 ATOM 4840 C CA . ASP B 1 232 ? -32.329 -28.539 -32.005 1.00 20.66 ? 313 ASP B CA 1 ATOM 4841 C C . ASP B 1 232 ? -30.967 -27.848 -32.043 1.00 19.59 ? 313 ASP B C 1 ATOM 4842 O O . ASP B 1 232 ? -30.627 -27.065 -31.154 1.00 19.25 ? 313 ASP B O 1 ATOM 4843 C CB . ASP B 1 232 ? -33.292 -27.906 -33.006 1.00 22.32 ? 313 ASP B CB 1 ATOM 4844 C CG . ASP B 1 232 ? -33.043 -28.357 -34.439 1.00 24.36 ? 313 ASP B CG 1 ATOM 4845 O OD1 . ASP B 1 232 ? -32.205 -29.268 -34.679 1.00 24.83 ? 313 ASP B OD1 1 ATOM 4846 O OD2 . ASP B 1 232 ? -33.706 -27.788 -35.336 1.00 26.76 ? 313 ASP B OD2 1 ATOM 4847 N N . SER B 1 233 ? -30.173 -28.165 -33.050 1.00 18.69 ? 314 SER B N 1 ATOM 4848 C CA . SER B 1 233 ? -28.865 -27.548 -33.177 1.00 18.06 ? 314 SER B CA 1 ATOM 4849 C C . SER B 1 233 ? -28.391 -27.613 -34.615 1.00 18.09 ? 314 SER B C 1 ATOM 4850 O O . SER B 1 233 ? -28.854 -28.444 -35.396 1.00 17.88 ? 314 SER B O 1 ATOM 4851 C CB . SER B 1 233 ? -27.856 -28.198 -32.226 1.00 17.79 ? 314 SER B CB 1 ATOM 4852 O OG . SER B 1 233 ? -27.546 -29.530 -32.587 1.00 18.03 ? 314 SER B OG 1 ATOM 4853 N N . SER B 1 234 ? -27.478 -26.707 -34.944 1.00 17.62 ? 315 SER B N 1 ATOM 4854 C CA . SER B 1 234 ? -26.966 -26.535 -36.292 1.00 17.79 ? 315 SER B CA 1 ATOM 4855 C C . SER B 1 234 ? -25.711 -25.663 -36.191 1.00 17.24 ? 315 SER B C 1 ATOM 4856 O O . SER B 1 234 ? -25.104 -25.591 -35.117 1.00 16.79 ? 315 SER B O 1 ATOM 4857 C CB . SER B 1 234 ? -28.041 -25.888 -37.178 1.00 18.09 ? 315 SER B CB 1 ATOM 4858 O OG . SER B 1 234 ? -28.411 -24.620 -36.668 1.00 18.37 ? 315 SER B OG 1 ATOM 4859 N N . TYR B 1 235 ? -25.303 -25.037 -37.294 1.00 17.29 ? 316 TYR B N 1 ATOM 4860 C CA . TYR B 1 235 ? -24.184 -24.092 -37.285 1.00 17.12 ? 316 TYR B CA 1 ATOM 4861 C C . TYR B 1 235 ? -24.611 -22.787 -37.945 1.00 17.10 ? 316 TYR B C 1 ATOM 4862 O O . TYR B 1 235 ? -25.466 -22.774 -38.834 1.00 17.40 ? 316 TYR B O 1 ATOM 4863 C CB . TYR B 1 235 ? -22.947 -24.668 -37.996 1.00 17.16 ? 316 TYR B CB 1 ATOM 4864 C CG . TYR B 1 235 ? -22.255 -25.749 -37.200 1.00 17.11 ? 316 TYR B CG 1 ATOM 4865 C CD1 . TYR B 1 235 ? -22.742 -27.055 -37.199 1.00 17.22 ? 316 TYR B CD1 1 ATOM 4866 C CD2 . TYR B 1 235 ? -21.130 -25.467 -36.432 1.00 16.87 ? 316 TYR B CD2 1 ATOM 4867 C CE1 . TYR B 1 235 ? -22.123 -28.046 -36.458 1.00 17.26 ? 316 TYR B CE1 1 ATOM 4868 C CE2 . TYR B 1 235 ? -20.503 -26.455 -35.684 1.00 16.89 ? 316 TYR B CE2 1 ATOM 4869 C CZ . TYR B 1 235 ? -21.009 -27.742 -35.694 1.00 17.14 ? 316 TYR B CZ 1 ATOM 4870 O OH . TYR B 1 235 ? -20.405 -28.731 -34.949 1.00 17.19 ? 316 TYR B OH 1 ATOM 4871 N N . VAL B 1 236 ? -23.997 -21.693 -37.511 1.00 16.82 ? 317 VAL B N 1 ATOM 4872 C CA . VAL B 1 236 ? -24.236 -20.389 -38.118 1.00 16.85 ? 317 VAL B CA 1 ATOM 4873 C C . VAL B 1 236 ? -23.928 -20.483 -39.618 1.00 17.31 ? 317 VAL B C 1 ATOM 4874 O O . VAL B 1 236 ? -22.876 -20.994 -40.008 1.00 17.03 ? 317 VAL B O 1 ATOM 4875 C CB . VAL B 1 236 ? -23.385 -19.297 -37.432 1.00 16.58 ? 317 VAL B CB 1 ATOM 4876 C CG1 . VAL B 1 236 ? -23.466 -17.976 -38.184 1.00 16.76 ? 317 VAL B CG1 1 ATOM 4877 C CG2 . VAL B 1 236 ? -23.825 -19.111 -35.988 1.00 16.29 ? 317 VAL B CG2 1 ATOM 4878 N N . CYS B 1 237 ? -24.865 -20.019 -40.448 1.00 17.88 ? 318 CYS B N 1 ATOM 4879 C CA . CYS B 1 237 ? -24.727 -20.107 -41.913 1.00 18.75 ? 318 CYS B CA 1 ATOM 4880 C C . CYS B 1 237 ? -23.559 -19.303 -42.474 1.00 18.23 ? 318 CYS B C 1 ATOM 4881 O O . CYS B 1 237 ? -22.928 -19.720 -43.445 1.00 18.31 ? 318 CYS B O 1 ATOM 4882 C CB . CYS B 1 237 ? -26.009 -19.651 -42.612 1.00 19.56 ? 318 CYS B CB 1 ATOM 4883 S SG . CYS B 1 237 ? -27.361 -20.844 -42.569 1.00 21.06 ? 318 CYS B SG 1 ATOM 4884 N N . SER B 1 238 ? -23.288 -18.149 -41.868 1.00 17.81 ? 319 SER B N 1 ATOM 4885 C CA . SER B 1 238 ? -22.302 -17.196 -42.388 1.00 17.50 ? 319 SER B CA 1 ATOM 4886 C C . SER B 1 238 ? -20.979 -17.845 -42.792 1.00 17.64 ? 319 SER B C 1 ATOM 4887 O O . SER B 1 238 ? -20.377 -18.589 -42.021 1.00 17.35 ? 319 SER B O 1 ATOM 4888 C CB . SER B 1 238 ? -22.030 -16.100 -41.355 1.00 17.22 ? 319 SER B CB 1 ATOM 4889 O OG . SER B 1 238 ? -20.998 -15.219 -41.788 1.00 16.87 ? 319 SER B OG 1 ATOM 4890 N N . GLY B 1 239 ? -20.534 -17.547 -44.009 1.00 17.80 ? 320 GLY B N 1 ATOM 4891 C CA . GLY B 1 239 ? -19.218 -17.948 -44.473 1.00 17.95 ? 320 GLY B CA 1 ATOM 4892 C C . GLY B 1 239 ? -18.102 -17.135 -43.839 1.00 17.78 ? 320 GLY B C 1 ATOM 4893 O O . GLY B 1 239 ? -16.935 -17.517 -43.928 1.00 18.01 ? 320 GLY B O 1 ATOM 4894 N N . LEU B 1 240 ? -18.458 -16.000 -43.235 1.00 17.53 ? 321 LEU B N 1 ATOM 4895 C CA . LEU B 1 240 ? -17.557 -15.266 -42.347 1.00 17.42 ? 321 LEU B CA 1 ATOM 4896 C C . LEU B 1 240 ? -17.760 -15.860 -40.959 1.00 16.86 ? 321 LEU B C 1 ATOM 4897 O O . LEU B 1 240 ? -18.758 -15.576 -40.290 1.00 16.80 ? 321 LEU B O 1 ATOM 4898 C CB . LEU B 1 240 ? -17.867 -13.765 -42.355 1.00 17.62 ? 321 LEU B CB 1 ATOM 4899 C CG . LEU B 1 240 ? -17.786 -13.089 -43.729 1.00 18.23 ? 321 LEU B CG 1 ATOM 4900 C CD1 . LEU B 1 240 ? -18.084 -11.604 -43.625 1.00 18.37 ? 321 LEU B CD1 1 ATOM 4901 C CD2 . LEU B 1 240 ? -16.429 -13.306 -44.377 1.00 18.61 ? 321 LEU B CD2 1 ATOM 4902 N N . VAL B 1 241 ? -16.834 -16.723 -40.552 1.00 16.34 ? 322 VAL B N 1 ATOM 4903 C CA . VAL B 1 241 ? -17.031 -17.542 -39.358 1.00 15.80 ? 322 VAL B CA 1 ATOM 4904 C C . VAL B 1 241 ? -16.528 -16.821 -38.110 1.00 15.50 ? 322 VAL B C 1 ATOM 4905 O O . VAL B 1 241 ? -15.702 -15.904 -38.195 1.00 15.07 ? 322 VAL B O 1 ATOM 4906 C CB . VAL B 1 241 ? -16.402 -18.947 -39.512 1.00 15.85 ? 322 VAL B CB 1 ATOM 4907 C CG1 . VAL B 1 241 ? -16.958 -19.636 -40.755 1.00 16.05 ? 322 VAL B CG1 1 ATOM 4908 C CG2 . VAL B 1 241 ? -14.876 -18.881 -39.561 1.00 15.82 ? 322 VAL B CG2 1 ATOM 4909 N N . GLY B 1 242 ? -17.042 -17.236 -36.955 1.00 15.13 ? 323 GLY B N 1 ATOM 4910 C CA . GLY B 1 242 ? -16.858 -16.495 -35.714 1.00 14.93 ? 323 GLY B CA 1 ATOM 4911 C C . GLY B 1 242 ? -15.819 -17.003 -34.728 1.00 14.98 ? 323 GLY B C 1 ATOM 4912 O O . GLY B 1 242 ? -15.516 -16.314 -33.757 1.00 14.72 ? 323 GLY B O 1 ATOM 4913 N N . ASP B 1 243 ? -15.286 -18.202 -34.950 1.00 15.10 ? 324 ASP B N 1 ATOM 4914 C CA . ASP B 1 243 ? -14.360 -18.806 -33.991 1.00 15.19 ? 324 ASP B CA 1 ATOM 4915 C C . ASP B 1 243 ? -12.931 -18.334 -34.248 1.00 15.36 ? 324 ASP B C 1 ATOM 4916 O O . ASP B 1 243 ? -12.643 -17.736 -35.284 1.00 15.65 ? 324 ASP B O 1 ATOM 4917 C CB . ASP B 1 243 ? -14.432 -20.335 -34.079 1.00 15.42 ? 324 ASP B CB 1 ATOM 4918 C CG . ASP B 1 243 ? -14.117 -21.033 -32.765 1.00 15.36 ? 324 ASP B CG 1 ATOM 4919 O OD1 . ASP B 1 243 ? -13.822 -20.362 -31.749 1.00 15.13 ? 324 ASP B OD1 1 ATOM 4920 O OD2 . ASP B 1 243 ? -14.182 -22.282 -32.756 1.00 15.63 ? 324 ASP B OD2 1 ATOM 4921 N N . THR B 1 244 ? -12.058 -18.600 -33.282 1.00 15.31 ? 325 THR B N 1 ATOM 4922 C CA . THR B 1 244 ? -10.615 -18.433 -33.422 1.00 15.52 ? 325 THR B CA 1 ATOM 4923 C C . THR B 1 244 ? -9.950 -19.662 -32.799 1.00 15.49 ? 325 THR B C 1 ATOM 4924 O O . THR B 1 244 ? -10.141 -19.917 -31.618 1.00 15.33 ? 325 THR B O 1 ATOM 4925 C CB . THR B 1 244 ? -10.116 -17.174 -32.683 1.00 15.47 ? 325 THR B CB 1 ATOM 4926 O OG1 . THR B 1 244 ? -10.856 -16.031 -33.127 1.00 15.28 ? 325 THR B OG1 1 ATOM 4927 C CG2 . THR B 1 244 ? -8.628 -16.948 -32.928 1.00 15.67 ? 325 THR B CG2 1 ATOM 4928 N N . PRO B 1 245 ? -9.148 -20.415 -33.571 1.00 15.86 ? 326 PRO B N 1 ATOM 4929 C CA . PRO B 1 245 ? -8.704 -20.144 -34.929 1.00 16.19 ? 326 PRO B CA 1 ATOM 4930 C C . PRO B 1 245 ? -9.754 -20.367 -36.009 1.00 16.38 ? 326 PRO B C 1 ATOM 4931 O O . PRO B 1 245 ? -10.800 -20.966 -35.763 1.00 16.45 ? 326 PRO B O 1 ATOM 4932 C CB . PRO B 1 245 ? -7.543 -21.124 -35.124 1.00 16.50 ? 326 PRO B CB 1 ATOM 4933 C CG . PRO B 1 245 ? -7.840 -22.246 -34.204 1.00 16.58 ? 326 PRO B CG 1 ATOM 4934 C CD . PRO B 1 245 ? -8.530 -21.636 -33.021 1.00 16.12 ? 326 PRO B CD 1 ATOM 4935 N N . ARG B 1 246 ? -9.437 -19.891 -37.206 1.00 16.54 ? 327 ARG B N 1 ATOM 4936 C CA . ARG B 1 246 ? -10.289 -20.036 -38.373 1.00 16.91 ? 327 ARG B CA 1 ATOM 4937 C C . ARG B 1 246 ? -9.464 -19.743 -39.619 1.00 17.59 ? 327 ARG B C 1 ATOM 4938 O O . ARG B 1 246 ? -8.389 -19.155 -39.523 1.00 17.52 ? 327 ARG B O 1 ATOM 4939 C CB . ARG B 1 246 ? -11.452 -19.045 -38.295 1.00 16.52 ? 327 ARG B CB 1 ATOM 4940 C CG . ARG B 1 246 ? -11.019 -17.583 -38.237 1.00 16.34 ? 327 ARG B CG 1 ATOM 4941 C CD . ARG B 1 246 ? -12.197 -16.635 -38.369 1.00 16.28 ? 327 ARG B CD 1 ATOM 4942 N NE . ARG B 1 246 ? -11.747 -15.246 -38.435 1.00 16.12 ? 327 ARG B NE 1 ATOM 4943 C CZ . ARG B 1 246 ? -11.451 -14.485 -37.384 1.00 16.02 ? 327 ARG B CZ 1 ATOM 4944 N NH1 . ARG B 1 246 ? -11.039 -13.241 -37.579 1.00 16.18 ? 327 ARG B NH1 1 ATOM 4945 N NH2 . ARG B 1 246 ? -11.554 -14.955 -36.140 1.00 16.14 ? 327 ARG B NH2 1 ATOM 4946 N N . ASN B 1 247 ? -9.969 -20.141 -40.781 1.00 18.57 ? 328 ASN B N 1 ATOM 4947 C CA . ASN B 1 247 ? -9.340 -19.767 -42.045 1.00 19.30 ? 328 ASN B CA 1 ATOM 4948 C C . ASN B 1 247 ? -9.546 -18.284 -42.354 1.00 19.72 ? 328 ASN B C 1 ATOM 4949 O O . ASN B 1 247 ? -10.433 -17.628 -41.790 1.00 19.37 ? 328 ASN B O 1 ATOM 4950 C CB . ASN B 1 247 ? -9.906 -20.590 -43.211 1.00 19.78 ? 328 ASN B CB 1 ATOM 4951 C CG . ASN B 1 247 ? -9.385 -22.017 -43.250 1.00 20.16 ? 328 ASN B CG 1 ATOM 4952 O OD1 . ASN B 1 247 ? -8.581 -22.426 -42.421 1.00 20.71 ? 328 ASN B OD1 1 ATOM 4953 N ND2 . ASN B 1 247 ? -9.846 -22.783 -44.234 1.00 20.61 ? 328 ASN B ND2 1 ATOM 4954 N N . ASP B 1 248 ? -8.705 -17.773 -43.252 1.00 20.53 ? 329 ASP B N 1 ATOM 4955 C CA . ASP B 1 248 ? -8.917 -16.491 -43.921 1.00 21.45 ? 329 ASP B CA 1 ATOM 4956 C C . ASP B 1 248 ? -10.334 -16.430 -44.488 1.00 20.94 ? 329 ASP B C 1 ATOM 4957 O O . ASP B 1 248 ? -10.886 -17.457 -44.880 1.00 20.69 ? 329 ASP B O 1 ATOM 4958 C CB . ASP B 1 248 ? -7.896 -16.347 -45.062 1.00 22.85 ? 329 ASP B CB 1 ATOM 4959 C CG . ASP B 1 248 ? -7.870 -14.958 -45.666 1.00 24.17 ? 329 ASP B CG 1 ATOM 4960 O OD1 . ASP B 1 248 ? -7.083 -14.110 -45.187 1.00 25.24 ? 329 ASP B OD1 1 ATOM 4961 O OD2 . ASP B 1 248 ? -8.602 -14.719 -46.650 1.00 25.02 ? 329 ASP B OD2 1 ATOM 4962 N N . ASP B 1 249 ? -10.901 -15.225 -44.538 1.00 20.75 ? 330 ASP B N 1 ATOM 4963 C CA . ASP B 1 249 ? -12.234 -14.990 -45.107 1.00 21.53 ? 330 ASP B CA 1 ATOM 4964 C C . ASP B 1 249 ? -12.398 -15.523 -46.538 1.00 22.03 ? 330 ASP B C 1 ATOM 4965 O O . ASP B 1 249 ? -13.503 -15.901 -46.939 1.00 22.09 ? 330 ASP B O 1 ATOM 4966 C CB . ASP B 1 249 ? -12.560 -13.490 -45.111 1.00 21.76 ? 330 ASP B CB 1 ATOM 4967 C CG . ASP B 1 249 ? -12.930 -12.953 -43.732 1.00 22.14 ? 330 ASP B CG 1 ATOM 4968 O OD1 . ASP B 1 249 ? -12.901 -13.712 -42.745 1.00 22.87 ? 330 ASP B OD1 1 ATOM 4969 O OD2 . ASP B 1 249 ? -13.276 -11.758 -43.634 1.00 22.74 ? 330 ASP B OD2 1 ATOM 4970 N N . SER B 1 250 ? -11.313 -15.544 -47.308 1.00 22.20 ? 331 SER B N 1 ATOM 4971 C CA . SER B 1 250 ? -11.384 -16.029 -48.691 1.00 23.13 ? 331 SER B CA 1 ATOM 4972 C C . SER B 1 250 ? -11.478 -17.561 -48.796 1.00 22.96 ? 331 SER B C 1 ATOM 4973 O O . SER B 1 250 ? -11.849 -18.079 -49.845 1.00 23.64 ? 331 SER B O 1 ATOM 4974 C CB . SER B 1 250 ? -10.180 -15.532 -49.496 1.00 23.84 ? 331 SER B CB 1 ATOM 4975 O OG . SER B 1 250 ? -9.017 -16.264 -49.155 1.00 24.99 ? 331 SER B OG 1 ATOM 4976 N N . SER B 1 251 ? -11.133 -18.281 -47.728 1.00 22.20 ? 332 SER B N 1 ATOM 4977 C CA . SER B 1 251 ? -11.168 -19.748 -47.750 1.00 22.34 ? 332 SER B CA 1 ATOM 4978 C C . SER B 1 251 ? -11.954 -20.370 -46.587 1.00 21.48 ? 332 SER B C 1 ATOM 4979 O O . SER B 1 251 ? -11.848 -21.573 -46.347 1.00 21.79 ? 332 SER B O 1 ATOM 4980 C CB . SER B 1 251 ? -9.743 -20.299 -47.776 1.00 22.83 ? 332 SER B CB 1 ATOM 4981 O OG . SER B 1 251 ? -9.044 -19.914 -46.611 1.00 23.01 ? 332 SER B OG 1 ATOM 4982 N N . SER B 1 252 ? -12.740 -19.556 -45.880 1.00 20.46 ? 333 SER B N 1 ATOM 4983 C CA . SER B 1 252 ? -13.592 -20.044 -44.799 1.00 19.79 ? 333 SER B CA 1 ATOM 4984 C C . SER B 1 252 ? -14.951 -20.454 -45.363 1.00 19.45 ? 333 SER B C 1 ATOM 4985 O O . SER B 1 252 ? -15.409 -19.895 -46.361 1.00 19.33 ? 333 SER B O 1 ATOM 4986 C CB . SER B 1 252 ? -13.766 -18.979 -43.712 1.00 19.35 ? 333 SER B CB 1 ATOM 4987 O OG . SER B 1 252 ? -14.350 -17.793 -44.221 1.00 19.59 ? 333 SER B OG 1 ATOM 4988 N N . ASN B 1 253 ? -15.587 -21.435 -44.734 1.00 19.35 ? 334 ASN B N 1 ATOM 4989 C CA . ASN B 1 253 ? -16.886 -21.926 -45.202 1.00 19.35 ? 334 ASN B CA 1 ATOM 4990 C C . ASN B 1 253 ? -17.787 -22.350 -44.051 1.00 18.72 ? 334 ASN B C 1 ATOM 4991 O O . ASN B 1 253 ? -17.309 -22.755 -42.995 1.00 18.06 ? 334 ASN B O 1 ATOM 4992 C CB . ASN B 1 253 ? -16.719 -23.130 -46.136 1.00 20.20 ? 334 ASN B CB 1 ATOM 4993 C CG . ASN B 1 253 ? -15.977 -22.797 -47.413 1.00 21.02 ? 334 ASN B CG 1 ATOM 4994 O OD1 . ASN B 1 253 ? -16.562 -22.320 -48.386 1.00 21.03 ? 334 ASN B OD1 1 ATOM 4995 N ND2 . ASN B 1 253 ? -14.677 -23.077 -47.426 1.00 21.40 ? 334 ASN B ND2 1 ATOM 4996 N N . SER B 1 254 ? -19.093 -22.248 -44.280 1.00 18.30 ? 335 SER B N 1 ATOM 4997 C CA . SER B 1 254 ? -20.087 -22.899 -43.439 1.00 18.01 ? 335 SER B CA 1 ATOM 4998 C C . SER B 1 254 ? -21.267 -23.314 -44.304 1.00 18.26 ? 335 SER B C 1 ATOM 4999 O O . SER B 1 254 ? -21.668 -22.574 -45.205 1.00 18.05 ? 335 SER B O 1 ATOM 5000 C CB . SER B 1 254 ? -20.567 -21.979 -42.325 1.00 17.63 ? 335 SER B CB 1 ATOM 5001 O OG . SER B 1 254 ? -21.500 -22.662 -41.500 1.00 17.46 ? 335 SER B OG 1 ATOM 5002 N N . ASN B 1 255 ? -21.807 -24.501 -44.038 1.00 18.46 ? 336 ASN B N 1 ATOM 5003 C CA . ASN B 1 255 ? -22.991 -24.976 -44.751 1.00 18.99 ? 336 ASN B CA 1 ATOM 5004 C C . ASN B 1 255 ? -24.256 -24.985 -43.885 1.00 19.28 ? 336 ASN B C 1 ATOM 5005 O O . ASN B 1 255 ? -25.276 -25.530 -44.294 1.00 19.43 ? 336 ASN B O 1 ATOM 5006 C CB . ASN B 1 255 ? -22.728 -26.356 -45.373 1.00 19.38 ? 336 ASN B CB 1 ATOM 5007 C CG . ASN B 1 255 ? -22.662 -27.477 -44.350 1.00 19.27 ? 336 ASN B CG 1 ATOM 5008 O OD1 . ASN B 1 255 ? -22.854 -27.274 -43.153 1.00 19.08 ? 336 ASN B OD1 1 ATOM 5009 N ND2 . ASN B 1 255 ? -22.394 -28.679 -44.831 1.00 19.85 ? 336 ASN B ND2 1 ATOM 5010 N N . CYS B 1 256 ? -24.175 -24.368 -42.703 1.00 19.29 ? 337 CYS B N 1 ATOM 5011 C CA . CYS B 1 256 ? -25.277 -24.288 -41.715 1.00 20.00 ? 337 CYS B CA 1 ATOM 5012 C C . CYS B 1 256 ? -25.555 -25.572 -40.929 1.00 20.10 ? 337 CYS B C 1 ATOM 5013 O O . CYS B 1 256 ? -26.311 -25.528 -39.960 1.00 19.52 ? 337 CYS B O 1 ATOM 5014 C CB . CYS B 1 256 ? -26.620 -23.825 -42.316 1.00 20.65 ? 337 CYS B CB 1 ATOM 5015 S SG . CYS B 1 256 ? -26.612 -22.497 -43.534 1.00 21.65 ? 337 CYS B SG 1 ATOM 5016 N N . ARG B 1 257 ? -24.972 -26.700 -41.333 1.00 20.77 ? 338 ARG B N 1 ATOM 5017 C CA . ARG B 1 257 ? -25.346 -28.007 -40.776 1.00 21.57 ? 338 ARG B CA 1 ATOM 5018 C C . ARG B 1 257 ? -24.213 -28.742 -40.058 1.00 20.77 ? 338 ARG B C 1 ATOM 5019 O O . ARG B 1 257 ? -24.440 -29.371 -39.023 1.00 20.67 ? 338 ARG B O 1 ATOM 5020 C CB . ARG B 1 257 ? -25.900 -28.904 -41.889 1.00 23.13 ? 338 ARG B CB 1 ATOM 5021 C CG . ARG B 1 257 ? -27.094 -28.304 -42.619 1.00 24.60 ? 338 ARG B CG 1 ATOM 5022 C CD . ARG B 1 257 ? -27.760 -29.303 -43.558 1.00 26.08 ? 338 ARG B CD 1 ATOM 5023 N NE . ARG B 1 257 ? -26.817 -29.870 -44.521 1.00 27.61 ? 338 ARG B NE 1 ATOM 5024 C CZ . ARG B 1 257 ? -26.646 -29.462 -45.780 1.00 30.32 ? 338 ARG B CZ 1 ATOM 5025 N NH1 . ARG B 1 257 ? -27.358 -28.456 -46.306 1.00 30.82 ? 338 ARG B NH1 1 ATOM 5026 N NH2 . ARG B 1 257 ? -25.745 -30.080 -46.538 1.00 31.96 ? 338 ARG B NH2 1 ATOM 5027 N N . ASN B 1 258 ? -23.007 -28.672 -40.610 1.00 20.18 ? 339 ASN B N 1 ATOM 5028 C CA . ASN B 1 258 ? -21.883 -29.459 -40.125 1.00 19.72 ? 339 ASN B CA 1 ATOM 5029 C C . ASN B 1 258 ? -20.726 -28.562 -39.716 1.00 19.33 ? 339 ASN B C 1 ATOM 5030 O O . ASN B 1 258 ? -20.581 -27.458 -40.254 1.00 18.87 ? 339 ASN B O 1 ATOM 5031 C CB . ASN B 1 258 ? -21.376 -30.391 -41.229 1.00 20.06 ? 339 ASN B CB 1 ATOM 5032 C CG . ASN B 1 258 ? -22.479 -31.214 -41.865 1.00 20.58 ? 339 ASN B CG 1 ATOM 5033 O OD1 . ASN B 1 258 ? -22.627 -31.226 -43.087 1.00 21.00 ? 339 ASN B OD1 1 ATOM 5034 N ND2 . ASN B 1 258 ? -23.251 -31.907 -41.046 1.00 20.69 ? 339 ASN B ND2 1 ATOM 5035 N N . PRO B 1 259 ? -19.868 -29.053 -38.800 1.00 19.00 ? 340 PRO B N 1 ATOM 5036 C CA . PRO B 1 259 ? -18.601 -28.366 -38.557 1.00 18.64 ? 340 PRO B CA 1 ATOM 5037 C C . PRO B 1 259 ? -17.777 -28.328 -39.837 1.00 18.79 ? 340 PRO B C 1 ATOM 5038 O O . PRO B 1 259 ? -17.780 -29.294 -40.612 1.00 18.64 ? 340 PRO B O 1 ATOM 5039 C CB . PRO B 1 259 ? -17.920 -29.229 -37.490 1.00 18.75 ? 340 PRO B CB 1 ATOM 5040 C CG . PRO B 1 259 ? -18.542 -30.576 -37.622 1.00 19.13 ? 340 PRO B CG 1 ATOM 5041 C CD . PRO B 1 259 ? -19.956 -30.326 -38.060 1.00 19.08 ? 340 PRO B CD 1 ATOM 5042 N N . ASN B 1 260 ? -17.100 -27.211 -40.074 1.00 18.21 ? 341 ASN B N 1 ATOM 5043 C CA . ASN B 1 260 ? -16.479 -26.985 -41.370 1.00 18.54 ? 341 ASN B CA 1 ATOM 5044 C C . ASN B 1 260 ? -15.132 -27.707 -41.565 1.00 19.07 ? 341 ASN B C 1 ATOM 5045 O O . ASN B 1 260 ? -14.623 -27.752 -42.681 1.00 19.32 ? 341 ASN B O 1 ATOM 5046 C CB . ASN B 1 260 ? -16.376 -25.483 -41.663 1.00 18.24 ? 341 ASN B CB 1 ATOM 5047 C CG . ASN B 1 260 ? -15.549 -24.722 -40.627 1.00 17.94 ? 341 ASN B CG 1 ATOM 5048 O OD1 . ASN B 1 260 ? -14.969 -25.310 -39.709 1.00 17.76 ? 341 ASN B OD1 1 ATOM 5049 N ND2 . ASN B 1 260 ? -15.496 -23.402 -40.777 1.00 17.78 ? 341 ASN B ND2 1 ATOM 5050 N N . ASN B 1 261 ? -14.583 -28.288 -40.499 1.00 19.34 ? 342 ASN B N 1 ATOM 5051 C CA . ASN B 1 261 ? -13.260 -28.923 -40.539 1.00 20.28 ? 342 ASN B CA 1 ATOM 5052 C C . ASN B 1 261 ? -12.151 -27.996 -41.050 1.00 20.49 ? 342 ASN B C 1 ATOM 5053 O O . ASN B 1 261 ? -11.229 -28.431 -41.744 1.00 20.56 ? 342 ASN B O 1 ATOM 5054 C CB . ASN B 1 261 ? -13.307 -30.227 -41.343 1.00 21.32 ? 342 ASN B CB 1 ATOM 5055 C CG . ASN B 1 261 ? -14.057 -31.316 -40.615 1.00 21.89 ? 342 ASN B CG 1 ATOM 5056 O OD1 . ASN B 1 261 ? -13.645 -31.747 -39.546 1.00 23.11 ? 342 ASN B OD1 1 ATOM 5057 N ND2 . ASN B 1 261 ? -15.168 -31.758 -41.181 1.00 22.82 ? 342 ASN B ND2 1 ATOM 5058 N N . GLU B 1 262 ? -12.250 -26.724 -40.677 1.00 20.12 ? 343 GLU B N 1 ATOM 5059 C CA . GLU B 1 262 ? -11.277 -25.700 -41.042 1.00 20.46 ? 343 GLU B CA 1 ATOM 5060 C C . GLU B 1 262 ? -10.678 -25.124 -39.767 1.00 20.63 ? 343 GLU B C 1 ATOM 5061 O O . GLU B 1 262 ? -11.345 -24.368 -39.056 1.00 20.28 ? 343 GLU B O 1 ATOM 5062 C CB . GLU B 1 262 ? -11.962 -24.602 -41.844 1.00 20.18 ? 343 GLU B CB 1 ATOM 5063 C CG . GLU B 1 262 ? -12.478 -25.084 -43.187 1.00 20.55 ? 343 GLU B CG 1 ATOM 5064 C CD . GLU B 1 262 ? -13.324 -24.056 -43.909 1.00 20.46 ? 343 GLU B CD 1 ATOM 5065 O OE1 . GLU B 1 262 ? -13.616 -22.989 -43.330 1.00 20.26 ? 343 GLU B OE1 1 ATOM 5066 O OE2 . GLU B 1 262 ? -13.691 -24.318 -45.070 1.00 20.93 ? 343 GLU B OE2 1 ATOM 5067 N N . ARG B 1 263 ? -9.434 -25.500 -39.471 1.00 21.68 ? 344 ARG B N 1 ATOM 5068 C CA . ARG B 1 263 ? -8.783 -25.140 -38.205 1.00 22.38 ? 344 ARG B CA 1 ATOM 5069 C C . ARG B 1 263 ? -9.767 -25.297 -37.049 1.00 21.48 ? 344 ARG B C 1 ATOM 5070 O O . ARG B 1 263 ? -9.880 -24.427 -36.175 1.00 20.87 ? 344 ARG B O 1 ATOM 5071 C CB . ARG B 1 263 ? -8.243 -23.711 -38.267 1.00 23.55 ? 344 ARG B CB 1 ATOM 5072 C CG . ARG B 1 263 ? -7.100 -23.550 -39.254 1.00 25.75 ? 344 ARG B CG 1 ATOM 5073 C CD . ARG B 1 263 ? -6.627 -22.111 -39.315 1.00 27.86 ? 344 ARG B CD 1 ATOM 5074 N NE . ARG B 1 263 ? -5.592 -21.936 -40.332 1.00 30.80 ? 344 ARG B NE 1 ATOM 5075 C CZ . ARG B 1 263 ? -5.121 -20.761 -40.749 1.00 32.84 ? 344 ARG B CZ 1 ATOM 5076 N NH1 . ARG B 1 263 ? -5.572 -19.612 -40.237 1.00 32.64 ? 344 ARG B NH1 1 ATOM 5077 N NH2 . ARG B 1 263 ? -4.184 -20.738 -41.690 1.00 34.60 ? 344 ARG B NH2 1 ATOM 5078 N N . GLY B 1 264 ? -10.487 -26.413 -37.058 1.00 20.93 ? 345 GLY B N 1 ATOM 5079 C CA . GLY B 1 264 ? -11.629 -26.585 -36.182 1.00 20.69 ? 345 GLY B CA 1 ATOM 5080 C C . GLY B 1 264 ? -11.288 -26.759 -34.718 1.00 20.64 ? 345 GLY B C 1 ATOM 5081 O O . GLY B 1 264 ? -12.039 -26.308 -33.849 1.00 20.06 ? 345 GLY B O 1 ATOM 5082 N N . THR B 1 265 ? -10.167 -27.419 -34.434 1.00 20.95 ? 346 THR B N 1 ATOM 5083 C CA . THR B 1 265 ? -9.812 -27.698 -33.053 1.00 21.46 ? 346 THR B CA 1 ATOM 5084 C C . THR B 1 265 ? -9.485 -26.412 -32.302 1.00 20.83 ? 346 THR B C 1 ATOM 5085 O O . THR B 1 265 ? -9.009 -25.430 -32.889 1.00 19.75 ? 346 THR B O 1 ATOM 5086 C CB . THR B 1 265 ? -8.657 -28.714 -32.923 1.00 22.74 ? 346 THR B CB 1 ATOM 5087 O OG1 . THR B 1 265 ? -8.607 -29.191 -31.572 1.00 24.13 ? 346 THR B OG1 1 ATOM 5088 C CG2 . THR B 1 265 ? -7.332 -28.092 -33.292 1.00 22.88 ? 346 THR B CG2 1 ATOM 5089 N N . GLN B 1 266 ? -9.769 -26.435 -31.005 1.00 20.69 ? 347 GLN B N 1 ATOM 5090 C CA . GLN B 1 266 ? -9.671 -25.264 -30.140 1.00 20.68 ? 347 GLN B CA 1 ATOM 5091 C C . GLN B 1 266 ? -10.725 -24.228 -30.534 1.00 18.97 ? 347 GLN B C 1 ATOM 5092 O O . GLN B 1 266 ? -11.623 -24.517 -31.323 1.00 18.43 ? 347 GLN B O 1 ATOM 5093 C CB . GLN B 1 266 ? -8.248 -24.698 -30.131 1.00 22.90 ? 347 GLN B CB 1 ATOM 5094 C CG . GLN B 1 266 ? -7.231 -25.703 -29.614 1.00 25.60 ? 347 GLN B CG 1 ATOM 5095 C CD . GLN B 1 266 ? -5.842 -25.112 -29.508 1.00 28.43 ? 347 GLN B CD 1 ATOM 5096 O OE1 . GLN B 1 266 ? -5.246 -24.719 -30.510 1.00 32.06 ? 347 GLN B OE1 1 ATOM 5097 N NE2 . GLN B 1 266 ? -5.319 -25.040 -28.289 1.00 30.18 ? 347 GLN B NE2 1 ATOM 5098 N N . GLY B 1 267 ? -10.649 -23.040 -29.951 1.00 17.32 ? 348 GLY B N 1 ATOM 5099 C CA . GLY B 1 267 ? -11.680 -22.039 -30.163 1.00 16.35 ? 348 GLY B CA 1 ATOM 5100 C C . GLY B 1 267 ? -11.630 -20.964 -29.104 1.00 15.51 ? 348 GLY B C 1 ATOM 5101 O O . GLY B 1 267 ? -10.684 -20.894 -28.323 1.00 15.20 ? 348 GLY B O 1 ATOM 5102 N N . VAL B 1 268 ? -12.656 -20.123 -29.099 1.00 14.86 ? 349 VAL B N 1 ATOM 5103 C CA . VAL B 1 268 ? -12.811 -19.069 -28.113 1.00 14.33 ? 349 VAL B CA 1 ATOM 5104 C C . VAL B 1 268 ? -14.299 -18.831 -27.936 1.00 14.14 ? 349 VAL B C 1 ATOM 5105 O O . VAL B 1 268 ? -15.070 -18.980 -28.884 1.00 14.35 ? 349 VAL B O 1 ATOM 5106 C CB . VAL B 1 268 ? -12.087 -17.765 -28.538 1.00 14.18 ? 349 VAL B CB 1 ATOM 5107 C CG1 . VAL B 1 268 ? -12.745 -17.118 -29.751 1.00 14.16 ? 349 VAL B CG1 1 ATOM 5108 C CG2 . VAL B 1 268 ? -12.015 -16.784 -27.371 1.00 13.87 ? 349 VAL B CG2 1 ATOM 5109 N N . LYS B 1 269 ? -14.712 -18.497 -26.719 1.00 13.94 ? 350 LYS B N 1 ATOM 5110 C CA . LYS B 1 269 ? -16.108 -18.157 -26.482 1.00 13.65 ? 350 LYS B CA 1 ATOM 5111 C C . LYS B 1 269 ? -16.479 -16.915 -27.275 1.00 13.58 ? 350 LYS B C 1 ATOM 5112 O O . LYS B 1 269 ? -15.755 -15.922 -27.258 1.00 13.55 ? 350 LYS B O 1 ATOM 5113 C CB . LYS B 1 269 ? -16.379 -17.895 -25.002 1.00 13.52 ? 350 LYS B CB 1 ATOM 5114 C CG . LYS B 1 269 ? -17.843 -17.591 -24.715 1.00 13.41 ? 350 LYS B CG 1 ATOM 5115 C CD . LYS B 1 269 ? -18.094 -17.312 -23.244 1.00 13.29 ? 350 LYS B CD 1 ATOM 5116 C CE . LYS B 1 269 ? -19.506 -16.803 -23.003 1.00 13.27 ? 350 LYS B CE 1 ATOM 5117 N NZ . LYS B 1 269 ? -20.553 -17.821 -23.315 1.00 13.45 ? 350 LYS B NZ 1 ATOM 5118 N N . GLY B 1 270 ? -17.633 -16.960 -27.934 1.00 13.63 ? 351 GLY B N 1 ATOM 5119 C CA . GLY B 1 270 ? -18.126 -15.813 -28.696 1.00 13.73 ? 351 GLY B CA 1 ATOM 5120 C C . GLY B 1 270 ? -19.636 -15.796 -28.819 1.00 13.73 ? 351 GLY B C 1 ATOM 5121 O O . GLY B 1 270 ? -20.327 -16.528 -28.123 1.00 13.77 ? 351 GLY B O 1 ATOM 5122 N N . TRP B 1 271 ? -20.149 -14.961 -29.718 1.00 13.97 ? 352 TRP B N 1 ATOM 5123 C CA . TRP B 1 271 ? -21.593 -14.754 -29.832 1.00 13.97 ? 352 TRP B CA 1 ATOM 5124 C C . TRP B 1 271 ? -21.981 -14.306 -31.235 1.00 14.33 ? 352 TRP B C 1 ATOM 5125 O O . TRP B 1 271 ? -21.152 -13.849 -32.023 1.00 14.53 ? 352 TRP B O 1 ATOM 5126 C CB . TRP B 1 271 ? -22.061 -13.691 -28.821 1.00 13.97 ? 352 TRP B CB 1 ATOM 5127 C CG . TRP B 1 271 ? -21.429 -12.367 -29.102 1.00 13.95 ? 352 TRP B CG 1 ATOM 5128 C CD1 . TRP B 1 271 ? -20.213 -11.935 -28.657 1.00 13.95 ? 352 TRP B CD1 1 ATOM 5129 C CD2 . TRP B 1 271 ? -21.928 -11.338 -29.967 1.00 14.12 ? 352 TRP B CD2 1 ATOM 5130 N NE1 . TRP B 1 271 ? -19.935 -10.693 -29.168 1.00 13.88 ? 352 TRP B NE1 1 ATOM 5131 C CE2 . TRP B 1 271 ? -20.968 -10.301 -29.976 1.00 14.01 ? 352 TRP B CE2 1 ATOM 5132 C CE3 . TRP B 1 271 ? -23.099 -11.186 -30.728 1.00 14.33 ? 352 TRP B CE3 1 ATOM 5133 C CZ2 . TRP B 1 271 ? -21.136 -9.130 -30.715 1.00 14.15 ? 352 TRP B CZ2 1 ATOM 5134 C CZ3 . TRP B 1 271 ? -23.265 -10.020 -31.466 1.00 14.41 ? 352 TRP B CZ3 1 ATOM 5135 C CH2 . TRP B 1 271 ? -22.290 -9.003 -31.447 1.00 14.37 ? 352 TRP B CH2 1 ATOM 5136 N N . ALA B 1 272 ? -23.268 -14.430 -31.525 1.00 14.44 ? 353 ALA B N 1 ATOM 5137 C CA . ALA B 1 272 ? -23.870 -13.834 -32.697 1.00 14.74 ? 353 ALA B CA 1 ATOM 5138 C C . ALA B 1 272 ? -25.363 -13.849 -32.426 1.00 15.10 ? 353 ALA B C 1 ATOM 5139 O O . ALA B 1 272 ? -25.806 -14.516 -31.492 1.00 15.17 ? 353 ALA B O 1 ATOM 5140 C CB . ALA B 1 272 ? -23.542 -14.636 -33.946 1.00 14.87 ? 353 ALA B CB 1 ATOM 5141 N N . PHE B 1 273 ? -26.127 -13.094 -33.199 1.00 15.41 ? 354 PHE B N 1 ATOM 5142 C CA . PHE B 1 273 ? -27.579 -13.212 -33.135 1.00 16.05 ? 354 PHE B CA 1 ATOM 5143 C C . PHE B 1 273 ? -28.212 -12.918 -34.485 1.00 16.91 ? 354 PHE B C 1 ATOM 5144 O O . PHE B 1 273 ? -27.638 -12.217 -35.319 1.00 16.95 ? 354 PHE B O 1 ATOM 5145 C CB . PHE B 1 273 ? -28.185 -12.354 -32.013 1.00 15.90 ? 354 PHE B CB 1 ATOM 5146 C CG . PHE B 1 273 ? -28.044 -10.870 -32.210 1.00 15.87 ? 354 PHE B CG 1 ATOM 5147 C CD1 . PHE B 1 273 ? -26.957 -10.185 -31.678 1.00 15.71 ? 354 PHE B CD1 1 ATOM 5148 C CD2 . PHE B 1 273 ? -29.027 -10.145 -32.882 1.00 16.09 ? 354 PHE B CD2 1 ATOM 5149 C CE1 . PHE B 1 273 ? -26.831 -8.816 -31.845 1.00 15.76 ? 354 PHE B CE1 1 ATOM 5150 C CE2 . PHE B 1 273 ? -28.905 -8.772 -33.048 1.00 16.08 ? 354 PHE B CE2 1 ATOM 5151 C CZ . PHE B 1 273 ? -27.805 -8.108 -32.530 1.00 16.01 ? 354 PHE B CZ 1 ATOM 5152 N N . ASP B 1 274 ? -29.396 -13.484 -34.681 1.00 17.98 ? 355 ASP B N 1 ATOM 5153 C CA . ASP B 1 274 ? -30.118 -13.376 -35.939 1.00 19.07 ? 355 ASP B CA 1 ATOM 5154 C C . ASP B 1 274 ? -31.014 -12.148 -35.945 1.00 19.74 ? 355 ASP B C 1 ATOM 5155 O O . ASP B 1 274 ? -31.528 -11.724 -34.902 1.00 18.93 ? 355 ASP B O 1 ATOM 5156 C CB . ASP B 1 274 ? -30.978 -14.622 -36.161 1.00 19.81 ? 355 ASP B CB 1 ATOM 5157 C CG . ASP B 1 274 ? -32.081 -14.761 -35.128 1.00 20.22 ? 355 ASP B CG 1 ATOM 5158 O OD1 . ASP B 1 274 ? -31.772 -15.075 -33.959 1.00 20.46 ? 355 ASP B OD1 1 ATOM 5159 O OD2 . ASP B 1 274 ? -33.256 -14.558 -35.478 1.00 21.05 ? 355 ASP B OD2 1 ATOM 5160 N N . ASN B 1 275 ? -31.174 -11.563 -37.126 1.00 20.65 ? 356 ASN B N 1 ATOM 5161 C CA . ASN B 1 275 ? -32.261 -10.634 -37.374 1.00 21.76 ? 356 ASN B CA 1 ATOM 5162 C C . ASN B 1 275 ? -32.828 -10.941 -38.743 1.00 21.62 ? 356 ASN B C 1 ATOM 5163 O O . ASN B 1 275 ? -32.261 -10.529 -39.764 1.00 21.11 ? 356 ASN B O 1 ATOM 5164 C CB . ASN B 1 275 ? -31.804 -9.183 -37.313 1.00 22.99 ? 356 ASN B CB 1 ATOM 5165 C CG . ASN B 1 275 ? -32.951 -8.215 -37.549 1.00 24.35 ? 356 ASN B CG 1 ATOM 5166 O OD1 . ASN B 1 275 ? -32.909 -7.392 -38.462 1.00 25.83 ? 356 ASN B OD1 1 ATOM 5167 N ND2 . ASN B 1 275 ? -34.003 -8.337 -36.743 1.00 25.32 ? 356 ASN B ND2 1 ATOM 5168 N N . GLY B 1 276 ? -33.930 -11.683 -38.756 1.00 21.31 ? 357 GLY B N 1 ATOM 5169 C CA . GLY B 1 276 ? -34.495 -12.182 -39.997 1.00 21.57 ? 357 GLY B CA 1 ATOM 5170 C C . GLY B 1 276 ? -33.478 -13.073 -40.682 1.00 21.00 ? 357 GLY B C 1 ATOM 5171 O O . GLY B 1 276 ? -32.971 -14.019 -40.084 1.00 20.61 ? 357 GLY B O 1 ATOM 5172 N N . ASN B 1 277 ? -33.158 -12.753 -41.930 1.00 20.75 ? 358 ASN B N 1 ATOM 5173 C CA . ASN B 1 277 ? -32.180 -13.527 -42.684 1.00 20.57 ? 358 ASN B CA 1 ATOM 5174 C C . ASN B 1 277 ? -30.736 -13.134 -42.382 1.00 19.69 ? 358 ASN B C 1 ATOM 5175 O O . ASN B 1 277 ? -29.808 -13.843 -42.754 1.00 19.31 ? 358 ASN B O 1 ATOM 5176 C CB . ASN B 1 277 ? -32.456 -13.390 -44.179 1.00 21.30 ? 358 ASN B CB 1 ATOM 5177 C CG . ASN B 1 277 ? -33.774 -14.014 -44.577 1.00 21.97 ? 358 ASN B CG 1 ATOM 5178 O OD1 . ASN B 1 277 ? -34.092 -15.129 -44.163 1.00 22.73 ? 358 ASN B OD1 1 ATOM 5179 N ND2 . ASN B 1 277 ? -34.553 -13.299 -45.372 1.00 22.47 ? 358 ASN B ND2 1 ATOM 5180 N N . ASP B 1 278 ? -30.553 -12.015 -41.689 1.00 19.18 ? 359 ASP B N 1 ATOM 5181 C CA . ASP B 1 278 ? -29.219 -11.469 -41.451 1.00 18.65 ? 359 ASP B CA 1 ATOM 5182 C C . ASP B 1 278 ? -28.654 -11.882 -40.095 1.00 18.15 ? 359 ASP B C 1 ATOM 5183 O O . ASP B 1 278 ? -29.374 -12.384 -39.234 1.00 17.44 ? 359 ASP B O 1 ATOM 5184 C CB . ASP B 1 278 ? -29.263 -9.953 -41.567 1.00 19.05 ? 359 ASP B CB 1 ATOM 5185 C CG . ASP B 1 278 ? -29.765 -9.488 -42.920 1.00 19.78 ? 359 ASP B CG 1 ATOM 5186 O OD1 . ASP B 1 278 ? -29.525 -10.186 -43.934 1.00 19.87 ? 359 ASP B OD1 1 ATOM 5187 O OD2 . ASP B 1 278 ? -30.403 -8.416 -42.967 1.00 20.59 ? 359 ASP B OD2 1 ATOM 5188 N N . LEU B 1 279 ? -27.348 -11.671 -39.926 1.00 17.67 ? 360 LEU B N 1 ATOM 5189 C CA . LEU B 1 279 ? -26.640 -12.058 -38.711 1.00 17.35 ? 360 LEU B CA 1 ATOM 5190 C C . LEU B 1 279 ? -25.811 -10.889 -38.209 1.00 17.06 ? 360 LEU B C 1 ATOM 5191 O O . LEU B 1 279 ? -25.072 -10.278 -38.985 1.00 17.00 ? 360 LEU B O 1 ATOM 5192 C CB . LEU B 1 279 ? -25.701 -13.228 -38.997 1.00 17.41 ? 360 LEU B CB 1 ATOM 5193 C CG . LEU B 1 279 ? -24.945 -13.809 -37.795 1.00 17.31 ? 360 LEU B CG 1 ATOM 5194 C CD1 . LEU B 1 279 ? -25.834 -14.764 -37.017 1.00 17.44 ? 360 LEU B CD1 1 ATOM 5195 C CD2 . LEU B 1 279 ? -23.687 -14.526 -38.246 1.00 17.39 ? 360 LEU B CD2 1 ATOM 5196 N N . TRP B 1 280 ? -25.944 -10.582 -36.922 1.00 16.50 ? 361 TRP B N 1 ATOM 5197 C CA . TRP B 1 280 ? -24.984 -9.721 -36.233 1.00 16.08 ? 361 TRP B CA 1 ATOM 5198 C C . TRP B 1 280 ? -24.010 -10.617 -35.473 1.00 15.67 ? 361 TRP B C 1 ATOM 5199 O O . TRP B 1 280 ? -24.426 -11.560 -34.804 1.00 15.47 ? 361 TRP B O 1 ATOM 5200 C CB . TRP B 1 280 ? -25.694 -8.768 -35.270 1.00 16.16 ? 361 TRP B CB 1 ATOM 5201 C CG . TRP B 1 280 ? -26.381 -7.619 -35.941 1.00 16.48 ? 361 TRP B CG 1 ATOM 5202 C CD1 . TRP B 1 280 ? -27.711 -7.516 -36.224 1.00 16.97 ? 361 TRP B CD1 1 ATOM 5203 C CD2 . TRP B 1 280 ? -25.774 -6.407 -36.416 1.00 16.56 ? 361 TRP B CD2 1 ATOM 5204 N NE1 . TRP B 1 280 ? -27.972 -6.317 -36.843 1.00 17.25 ? 361 TRP B NE1 1 ATOM 5205 C CE2 . TRP B 1 280 ? -26.801 -5.616 -36.970 1.00 16.91 ? 361 TRP B CE2 1 ATOM 5206 C CE3 . TRP B 1 280 ? -24.466 -5.913 -36.421 1.00 16.60 ? 361 TRP B CE3 1 ATOM 5207 C CZ2 . TRP B 1 280 ? -26.561 -4.354 -37.524 1.00 17.21 ? 361 TRP B CZ2 1 ATOM 5208 C CZ3 . TRP B 1 280 ? -24.228 -4.657 -36.974 1.00 16.83 ? 361 TRP B CZ3 1 ATOM 5209 C CH2 . TRP B 1 280 ? -25.267 -3.894 -37.516 1.00 16.86 ? 361 TRP B CH2 1 ATOM 5210 N N . MET B 1 281 ? -22.716 -10.336 -35.584 1.00 15.20 ? 362 MET B N 1 ATOM 5211 C CA . MET B 1 281 ? -21.713 -11.167 -34.933 1.00 14.94 ? 362 MET B CA 1 ATOM 5212 C C . MET B 1 281 ? -20.485 -10.364 -34.556 1.00 14.71 ? 362 MET B C 1 ATOM 5213 O O . MET B 1 281 ? -20.205 -9.314 -35.138 1.00 14.62 ? 362 MET B O 1 ATOM 5214 C CB . MET B 1 281 ? -21.310 -12.355 -35.822 1.00 15.02 ? 362 MET B CB 1 ATOM 5215 C CG . MET B 1 281 ? -20.796 -11.982 -37.209 1.00 15.25 ? 362 MET B CG 1 ATOM 5216 S SD . MET B 1 281 ? -20.145 -13.395 -38.122 1.00 15.61 ? 362 MET B SD 1 ATOM 5217 C CE . MET B 1 281 ? -18.512 -13.556 -37.392 1.00 15.56 ? 362 MET B CE 1 ATOM 5218 N N . GLY B 1 282 ? -19.769 -10.869 -33.560 1.00 14.51 ? 363 GLY B N 1 ATOM 5219 C CA . GLY B 1 282 ? -18.448 -10.374 -33.230 1.00 14.20 ? 363 GLY B CA 1 ATOM 5220 C C . GLY B 1 282 ? -17.439 -11.487 -33.408 1.00 14.24 ? 363 GLY B C 1 ATOM 5221 O O . GLY B 1 282 ? -17.806 -12.663 -33.488 1.00 13.92 ? 363 GLY B O 1 ATOM 5222 N N . ARG B 1 283 ? -16.163 -11.109 -33.477 1.00 14.07 ? 364 ARG B N 1 ATOM 5223 C CA . ARG B 1 283 ? -15.057 -12.065 -33.519 1.00 14.15 ? 364 ARG B CA 1 ATOM 5224 C C . ARG B 1 283 ? -13.743 -11.337 -33.286 1.00 14.09 ? 364 ARG B C 1 ATOM 5225 O O . ARG B 1 283 ? -13.688 -10.115 -33.380 1.00 13.90 ? 364 ARG B O 1 ATOM 5226 C CB . ARG B 1 283 ? -15.014 -12.816 -34.856 1.00 14.58 ? 364 ARG B CB 1 ATOM 5227 C CG . ARG B 1 283 ? -14.775 -11.946 -36.080 1.00 14.80 ? 364 ARG B CG 1 ATOM 5228 C CD . ARG B 1 283 ? -14.711 -12.788 -37.344 1.00 15.28 ? 364 ARG B CD 1 ATOM 5229 N NE . ARG B 1 283 ? -14.247 -12.010 -38.486 1.00 15.68 ? 364 ARG B NE 1 ATOM 5230 C CZ . ARG B 1 283 ? -14.191 -12.450 -39.741 1.00 16.12 ? 364 ARG B CZ 1 ATOM 5231 N NH1 . ARG B 1 283 ? -14.585 -13.682 -40.054 1.00 16.44 ? 364 ARG B NH1 1 ATOM 5232 N NH2 . ARG B 1 283 ? -13.759 -11.636 -40.691 1.00 16.50 ? 364 ARG B NH2 1 ATOM 5233 N N . THR B 1 284 ? -12.682 -12.080 -32.986 1.00 14.27 ? 365 THR B N 1 ATOM 5234 C CA . THR B 1 284 ? -11.356 -11.475 -32.899 1.00 14.46 ? 365 THR B CA 1 ATOM 5235 C C . THR B 1 284 ? -10.948 -11.024 -34.299 1.00 14.92 ? 365 THR B C 1 ATOM 5236 O O . THR B 1 284 ? -11.362 -11.621 -35.299 1.00 14.77 ? 365 THR B O 1 ATOM 5237 C CB . THR B 1 284 ? -10.309 -12.467 -32.361 1.00 14.27 ? 365 THR B CB 1 ATOM 5238 O OG1 . THR B 1 284 ? -10.196 -13.569 -33.263 1.00 14.48 ? 365 THR B OG1 1 ATOM 5239 C CG2 . THR B 1 284 ? -10.705 -12.989 -30.991 1.00 14.05 ? 365 THR B CG2 1 ATOM 5240 N N . ILE B 1 285 ? -10.132 -9.979 -34.390 1.00 15.49 ? 366 ILE B N 1 ATOM 5241 C CA . ILE B 1 285 ? -9.664 -9.534 -35.701 1.00 16.19 ? 366 ILE B CA 1 ATOM 5242 C C . ILE B 1 285 ? -8.655 -10.541 -36.250 1.00 17.09 ? 366 ILE B C 1 ATOM 5243 O O . ILE B 1 285 ? -8.717 -10.902 -37.427 1.00 17.26 ? 366 ILE B O 1 ATOM 5244 C CB . ILE B 1 285 ? -9.095 -8.100 -35.671 1.00 16.14 ? 366 ILE B CB 1 ATOM 5245 C CG1 . ILE B 1 285 ? -10.238 -7.111 -35.416 1.00 15.88 ? 366 ILE B CG1 1 ATOM 5246 C CG2 . ILE B 1 285 ? -8.396 -7.769 -36.984 1.00 16.30 ? 366 ILE B CG2 1 ATOM 5247 C CD1 . ILE B 1 285 ? -9.801 -5.690 -35.130 1.00 15.88 ? 366 ILE B CD1 1 ATOM 5248 N N . SER B 1 286 ? -7.743 -10.999 -35.400 1.00 17.88 ? 367 SER B N 1 ATOM 5249 C CA . SER B 1 286 ? -6.809 -12.054 -35.777 1.00 18.64 ? 367 SER B CA 1 ATOM 5250 C C . SER B 1 286 ? -7.535 -13.385 -36.014 1.00 19.45 ? 367 SER B C 1 ATOM 5251 O O . SER B 1 286 ? -8.456 -13.750 -35.271 1.00 18.48 ? 367 SER B O 1 ATOM 5252 C CB . SER B 1 286 ? -5.730 -12.231 -34.705 1.00 18.93 ? 367 SER B CB 1 ATOM 5253 O OG . SER B 1 286 ? -4.906 -13.353 -34.983 1.00 18.98 ? 367 SER B OG 1 ATOM 5254 N N . LYS B 1 287 ? -7.098 -14.097 -37.051 1.00 20.81 ? 368 LYS B N 1 ATOM 5255 C CA . LYS B 1 287 ? -7.631 -15.410 -37.397 1.00 22.36 ? 368 LYS B CA 1 ATOM 5256 C C . LYS B 1 287 ? -7.088 -16.518 -36.502 1.00 22.66 ? 368 LYS B C 1 ATOM 5257 O O . LYS B 1 287 ? -7.706 -17.576 -36.392 1.00 21.85 ? 368 LYS B O 1 ATOM 5258 C CB . LYS B 1 287 ? -7.286 -15.759 -38.853 1.00 23.94 ? 368 LYS B CB 1 ATOM 5259 C CG . LYS B 1 287 ? -7.908 -14.834 -39.886 1.00 25.69 ? 368 LYS B CG 1 ATOM 5260 C CD . LYS B 1 287 ? -7.213 -14.953 -41.236 1.00 27.76 ? 368 LYS B CD 1 ATOM 5261 C CE . LYS B 1 287 ? -5.939 -14.119 -41.301 1.00 29.23 ? 368 LYS B CE 1 ATOM 5262 N NZ . LYS B 1 287 ? -4.977 -14.654 -42.300 1.00 31.46 ? 368 LYS B NZ 1 ATOM 5263 N N . GLU B 1 288 ? -5.930 -16.289 -35.886 1.00 23.20 ? 369 GLU B N 1 ATOM 5264 C CA . GLU B 1 288 ? -5.241 -17.337 -35.131 1.00 24.95 ? 369 GLU B CA 1 ATOM 5265 C C . GLU B 1 288 ? -5.043 -17.027 -33.648 1.00 23.27 ? 369 GLU B C 1 ATOM 5266 O O . GLU B 1 288 ? -4.841 -17.947 -32.861 1.00 23.55 ? 369 GLU B O 1 ATOM 5267 C CB . GLU B 1 288 ? -3.880 -17.633 -35.772 1.00 28.36 ? 369 GLU B CB 1 ATOM 5268 C CG . GLU B 1 288 ? -3.957 -18.049 -37.240 1.00 31.99 ? 369 GLU B CG 1 ATOM 5269 C CD . GLU B 1 288 ? -2.788 -17.525 -38.061 1.00 35.98 ? 369 GLU B CD 1 ATOM 5270 O OE1 . GLU B 1 288 ? -1.632 -17.826 -37.694 1.00 40.20 ? 369 GLU B OE1 1 ATOM 5271 O OE2 . GLU B 1 288 ? -3.022 -16.801 -39.066 1.00 38.03 ? 369 GLU B OE2 1 ATOM 5272 N N . SER B 1 289 ? -5.090 -15.749 -33.271 1.00 21.46 ? 370 SER B N 1 ATOM 5273 C CA . SER B 1 289 ? -4.812 -15.322 -31.900 1.00 20.35 ? 370 SER B CA 1 ATOM 5274 C C . SER B 1 289 ? -5.985 -14.544 -31.335 1.00 18.65 ? 370 SER B C 1 ATOM 5275 O O . SER B 1 289 ? -6.756 -13.968 -32.085 1.00 17.91 ? 370 SER B O 1 ATOM 5276 C CB . SER B 1 289 ? -3.580 -14.419 -31.874 1.00 21.03 ? 370 SER B CB 1 ATOM 5277 O OG . SER B 1 289 ? -2.453 -15.112 -32.382 1.00 22.90 ? 370 SER B OG 1 ATOM 5278 N N . ARG B 1 290 ? -6.089 -14.503 -30.010 1.00 17.57 ? 371 ARG B N 1 ATOM 5279 C CA . ARG B 1 290 ? -7.114 -13.703 -29.324 1.00 16.65 ? 371 ARG B CA 1 ATOM 5280 C C . ARG B 1 290 ? -6.681 -12.239 -29.234 1.00 16.11 ? 371 ARG B C 1 ATOM 5281 O O . ARG B 1 290 ? -6.431 -11.700 -28.144 1.00 15.71 ? 371 ARG B O 1 ATOM 5282 C CB . ARG B 1 290 ? -7.410 -14.288 -27.945 1.00 16.80 ? 371 ARG B CB 1 ATOM 5283 C CG . ARG B 1 290 ? -8.005 -15.687 -28.032 1.00 17.19 ? 371 ARG B CG 1 ATOM 5284 C CD . ARG B 1 290 ? -7.991 -16.409 -26.697 1.00 17.33 ? 371 ARG B CD 1 ATOM 5285 N NE . ARG B 1 290 ? -8.643 -17.714 -26.810 1.00 17.89 ? 371 ARG B NE 1 ATOM 5286 C CZ . ARG B 1 290 ? -8.919 -18.515 -25.785 1.00 18.11 ? 371 ARG B CZ 1 ATOM 5287 N NH1 . ARG B 1 290 ? -8.604 -18.159 -24.538 1.00 18.28 ? 371 ARG B NH1 1 ATOM 5288 N NH2 . ARG B 1 290 ? -9.526 -19.677 -26.009 1.00 18.33 ? 371 ARG B NH2 1 ATOM 5289 N N A SER B 1 291 ? -6.634 -11.609 -30.406 0.53 15.86 ? 372 SER B N 1 ATOM 5290 N N B SER B 1 291 ? -6.564 -11.602 -30.395 0.47 15.98 ? 372 SER B N 1 ATOM 5291 C CA A SER B 1 291 ? -6.161 -10.243 -30.579 0.53 15.60 ? 372 SER B CA 1 ATOM 5292 C CA B SER B 1 291 ? -6.191 -10.198 -30.473 0.47 15.78 ? 372 SER B CA 1 ATOM 5293 C C A SER B 1 291 ? -7.198 -9.478 -31.398 0.53 15.39 ? 372 SER B C 1 ATOM 5294 C C B SER B 1 291 ? -7.183 -9.477 -31.372 0.47 15.49 ? 372 SER B C 1 ATOM 5295 O O A SER B 1 291 ? -7.728 -10.006 -32.385 0.53 15.33 ? 372 SER B O 1 ATOM 5296 O O B SER B 1 291 ? -7.661 -10.026 -32.371 0.47 15.47 ? 372 SER B O 1 ATOM 5297 C CB A SER B 1 291 ? -4.808 -10.260 -31.301 0.53 15.82 ? 372 SER B CB 1 ATOM 5298 C CB B SER B 1 291 ? -4.753 -10.025 -30.979 0.47 16.09 ? 372 SER B CB 1 ATOM 5299 O OG A SER B 1 291 ? -4.309 -8.954 -31.518 0.53 15.75 ? 372 SER B OG 1 ATOM 5300 O OG B SER B 1 291 ? -4.573 -10.598 -32.257 0.47 16.39 ? 372 SER B OG 1 ATOM 5301 N N . GLY B 1 292 ? -7.509 -8.252 -30.979 1.00 15.17 ? 373 GLY B N 1 ATOM 5302 C CA . GLY B 1 292 ? -8.484 -7.435 -31.671 1.00 14.66 ? 373 GLY B CA 1 ATOM 5303 C C . GLY B 1 292 ? -9.905 -7.927 -31.461 1.00 14.26 ? 373 GLY B C 1 ATOM 5304 O O . GLY B 1 292 ? -10.138 -9.037 -30.979 1.00 13.65 ? 373 GLY B O 1 ATOM 5305 N N . TYR B 1 293 ? -10.860 -7.082 -31.814 1.00 14.13 ? 374 TYR B N 1 ATOM 5306 C CA . TYR B 1 293 ? -12.261 -7.479 -31.787 1.00 14.05 ? 374 TYR B CA 1 ATOM 5307 C C . TYR B 1 293 ? -13.056 -6.591 -32.731 1.00 14.35 ? 374 TYR B C 1 ATOM 5308 O O . TYR B 1 293 ? -12.915 -5.370 -32.708 1.00 14.33 ? 374 TYR B O 1 ATOM 5309 C CB . TYR B 1 293 ? -12.848 -7.428 -30.365 1.00 13.87 ? 374 TYR B CB 1 ATOM 5310 C CG . TYR B 1 293 ? -14.052 -8.322 -30.240 1.00 13.73 ? 374 TYR B CG 1 ATOM 5311 C CD1 . TYR B 1 293 ? -13.904 -9.672 -29.935 1.00 13.81 ? 374 TYR B CD1 1 ATOM 5312 C CD2 . TYR B 1 293 ? -15.331 -7.845 -30.501 1.00 13.87 ? 374 TYR B CD2 1 ATOM 5313 C CE1 . TYR B 1 293 ? -15.000 -10.514 -29.858 1.00 13.61 ? 374 TYR B CE1 1 ATOM 5314 C CE2 . TYR B 1 293 ? -16.433 -8.678 -30.427 1.00 13.72 ? 374 TYR B CE2 1 ATOM 5315 C CZ . TYR B 1 293 ? -16.261 -10.011 -30.109 1.00 13.73 ? 374 TYR B CZ 1 ATOM 5316 O OH . TYR B 1 293 ? -17.349 -10.841 -30.029 1.00 13.70 ? 374 TYR B OH 1 ATOM 5317 N N . GLU B 1 294 ? -13.877 -7.223 -33.566 1.00 14.67 ? 375 GLU B N 1 ATOM 5318 C CA . GLU B 1 294 ? -14.696 -6.530 -34.550 1.00 15.04 ? 375 GLU B CA 1 ATOM 5319 C C . GLU B 1 294 ? -16.112 -7.073 -34.515 1.00 14.92 ? 375 GLU B C 1 ATOM 5320 O O . GLU B 1 294 ? -16.325 -8.241 -34.191 1.00 14.75 ? 375 GLU B O 1 ATOM 5321 C CB . GLU B 1 294 ? -14.118 -6.710 -35.962 1.00 15.60 ? 375 GLU B CB 1 ATOM 5322 C CG . GLU B 1 294 ? -13.942 -8.163 -36.386 1.00 16.05 ? 375 GLU B CG 1 ATOM 5323 C CD . GLU B 1 294 ? -13.306 -8.337 -37.757 1.00 16.87 ? 375 GLU B CD 1 ATOM 5324 O OE1 . GLU B 1 294 ? -13.004 -7.325 -38.432 1.00 17.39 ? 375 GLU B OE1 1 ATOM 5325 O OE2 . GLU B 1 294 ? -13.111 -9.505 -38.162 1.00 17.15 ? 375 GLU B OE2 1 ATOM 5326 N N . THR B 1 295 ? -17.069 -6.219 -34.860 1.00 15.04 ? 376 THR B N 1 ATOM 5327 C CA . THR B 1 295 ? -18.454 -6.634 -35.062 1.00 15.10 ? 376 THR B CA 1 ATOM 5328 C C . THR B 1 295 ? -18.891 -6.217 -36.455 1.00 15.21 ? 376 THR B C 1 ATOM 5329 O O . THR B 1 295 ? -18.340 -5.277 -37.037 1.00 14.99 ? 376 THR B O 1 ATOM 5330 C CB . THR B 1 295 ? -19.400 -5.983 -34.052 1.00 15.25 ? 376 THR B CB 1 ATOM 5331 O OG1 . THR B 1 295 ? -19.283 -4.557 -34.139 1.00 15.44 ? 376 THR B OG1 1 ATOM 5332 C CG2 . THR B 1 295 ? -19.078 -6.441 -32.640 1.00 15.33 ? 376 THR B CG2 1 ATOM 5333 N N . PHE B 1 296 ? -19.868 -6.935 -36.992 1.00 15.19 ? 377 PHE B N 1 ATOM 5334 C CA . PHE B 1 296 ? -20.472 -6.573 -38.263 1.00 15.48 ? 377 PHE B CA 1 ATOM 5335 C C . PHE B 1 296 ? -21.761 -7.342 -38.480 1.00 16.11 ? 377 PHE B C 1 ATOM 5336 O O . PHE B 1 296 ? -22.055 -8.306 -37.763 1.00 15.71 ? 377 PHE B O 1 ATOM 5337 C CB . PHE B 1 296 ? -19.510 -6.793 -39.447 1.00 15.47 ? 377 PHE B CB 1 ATOM 5338 C CG . PHE B 1 296 ? -18.803 -8.126 -39.450 1.00 15.35 ? 377 PHE B CG 1 ATOM 5339 C CD1 . PHE B 1 296 ? -19.436 -9.270 -39.917 1.00 15.35 ? 377 PHE B CD1 1 ATOM 5340 C CD2 . PHE B 1 296 ? -17.473 -8.222 -39.044 1.00 15.37 ? 377 PHE B CD2 1 ATOM 5341 C CE1 . PHE B 1 296 ? -18.776 -10.488 -39.942 1.00 15.36 ? 377 PHE B CE1 1 ATOM 5342 C CE2 . PHE B 1 296 ? -16.806 -9.441 -39.069 1.00 15.39 ? 377 PHE B CE2 1 ATOM 5343 C CZ . PHE B 1 296 ? -17.459 -10.573 -39.524 1.00 15.39 ? 377 PHE B CZ 1 ATOM 5344 N N . LYS B 1 297 ? -22.531 -6.881 -39.459 1.00 16.92 ? 378 LYS B N 1 ATOM 5345 C CA . LYS B 1 297 ? -23.710 -7.584 -39.915 1.00 17.86 ? 378 LYS B CA 1 ATOM 5346 C C . LYS B 1 297 ? -23.347 -8.334 -41.182 1.00 17.88 ? 378 LYS B C 1 ATOM 5347 O O . LYS B 1 297 ? -22.699 -7.780 -42.071 1.00 17.77 ? 378 LYS B O 1 ATOM 5348 C CB . LYS B 1 297 ? -24.845 -6.610 -40.220 1.00 19.28 ? 378 LYS B CB 1 ATOM 5349 C CG . LYS B 1 297 ? -26.126 -7.312 -40.650 1.00 20.54 ? 378 LYS B CG 1 ATOM 5350 C CD . LYS B 1 297 ? -27.054 -6.412 -41.439 1.00 22.23 ? 378 LYS B CD 1 ATOM 5351 C CE . LYS B 1 297 ? -27.907 -5.570 -40.529 1.00 23.50 ? 378 LYS B CE 1 ATOM 5352 N NZ . LYS B 1 297 ? -28.819 -4.699 -41.323 1.00 24.83 ? 378 LYS B NZ 1 ATOM 5353 N N . VAL B 1 298 ? -23.762 -9.594 -41.254 1.00 17.86 ? 379 VAL B N 1 ATOM 5354 C CA . VAL B 1 298 ? -23.617 -10.381 -42.468 1.00 18.23 ? 379 VAL B CA 1 ATOM 5355 C C . VAL B 1 298 ? -24.982 -10.478 -43.138 1.00 18.50 ? 379 VAL B C 1 ATOM 5356 O O . VAL B 1 298 ? -25.928 -11.021 -42.561 1.00 18.13 ? 379 VAL B O 1 ATOM 5357 C CB . VAL B 1 298 ? -23.078 -11.791 -42.176 1.00 18.07 ? 379 VAL B CB 1 ATOM 5358 C CG1 . VAL B 1 298 ? -22.927 -12.580 -43.467 1.00 18.32 ? 379 VAL B CG1 1 ATOM 5359 C CG2 . VAL B 1 298 ? -21.749 -11.714 -41.433 1.00 17.88 ? 379 VAL B CG2 1 ATOM 5360 N N . ILE B 1 299 ? -25.072 -9.941 -44.353 1.00 19.37 ? 380 ILE B N 1 ATOM 5361 C CA . ILE B 1 299 ? -26.299 -10.003 -45.144 1.00 20.02 ? 380 ILE B CA 1 ATOM 5362 C C . ILE B 1 299 ? -26.564 -11.457 -45.513 1.00 19.99 ? 380 ILE B C 1 ATOM 5363 O O . ILE B 1 299 ? -25.722 -12.106 -46.131 1.00 20.01 ? 380 ILE B O 1 ATOM 5364 C CB . ILE B 1 299 ? -26.196 -9.143 -46.430 1.00 20.89 ? 380 ILE B CB 1 ATOM 5365 C CG1 . ILE B 1 299 ? -25.893 -7.677 -46.089 1.00 21.40 ? 380 ILE B CG1 1 ATOM 5366 C CG2 . ILE B 1 299 ? -27.473 -9.249 -47.261 1.00 21.42 ? 380 ILE B CG2 1 ATOM 5367 C CD1 . ILE B 1 299 ? -26.881 -7.035 -45.140 1.00 21.66 ? 380 ILE B CD1 1 ATOM 5368 N N . GLY B 1 300 ? -27.726 -11.976 -45.110 1.00 20.04 ? 381 GLY B N 1 ATOM 5369 C CA . GLY B 1 300 ? -28.040 -13.391 -45.297 1.00 20.06 ? 381 GLY B CA 1 ATOM 5370 C C . GLY B 1 300 ? -27.244 -14.318 -44.386 1.00 19.88 ? 381 GLY B C 1 ATOM 5371 O O . GLY B 1 300 ? -27.234 -15.540 -44.585 1.00 19.66 ? 381 GLY B O 1 ATOM 5372 N N . GLY B 1 301 ? -26.585 -13.747 -43.377 1.00 19.50 ? 382 GLY B N 1 ATOM 5373 C CA . GLY B 1 301 ? -25.733 -14.514 -42.468 1.00 19.34 ? 382 GLY B CA 1 ATOM 5374 C C . GLY B 1 301 ? -26.446 -15.580 -41.655 1.00 19.35 ? 382 GLY B C 1 ATOM 5375 O O . GLY B 1 301 ? -25.821 -16.544 -41.208 1.00 18.78 ? 382 GLY B O 1 ATOM 5376 N N . TRP B 1 302 ? -27.750 -15.414 -41.451 1.00 19.83 ? 383 TRP B N 1 ATOM 5377 C CA . TRP B 1 302 ? -28.534 -16.411 -40.727 1.00 20.86 ? 383 TRP B CA 1 ATOM 5378 C C . TRP B 1 302 ? -29.148 -17.481 -41.638 1.00 21.27 ? 383 TRP B C 1 ATOM 5379 O O . TRP B 1 302 ? -29.223 -18.647 -41.247 1.00 21.09 ? 383 TRP B O 1 ATOM 5380 C CB . TRP B 1 302 ? -29.651 -15.754 -39.908 1.00 21.65 ? 383 TRP B CB 1 ATOM 5381 C CG . TRP B 1 302 ? -30.366 -16.767 -39.087 1.00 22.96 ? 383 TRP B CG 1 ATOM 5382 C CD1 . TRP B 1 302 ? -31.608 -17.283 -39.307 1.00 23.96 ? 383 TRP B CD1 1 ATOM 5383 C CD2 . TRP B 1 302 ? -29.846 -17.444 -37.945 1.00 24.07 ? 383 TRP B CD2 1 ATOM 5384 N NE1 . TRP B 1 302 ? -31.905 -18.226 -38.347 1.00 24.58 ? 383 TRP B NE1 1 ATOM 5385 C CE2 . TRP B 1 302 ? -30.835 -18.342 -37.501 1.00 24.69 ? 383 TRP B CE2 1 ATOM 5386 C CE3 . TRP B 1 302 ? -28.643 -17.363 -37.240 1.00 24.69 ? 383 TRP B CE3 1 ATOM 5387 C CZ2 . TRP B 1 302 ? -30.654 -19.158 -36.388 1.00 25.36 ? 383 TRP B CZ2 1 ATOM 5388 C CZ3 . TRP B 1 302 ? -28.465 -18.179 -36.132 1.00 25.05 ? 383 TRP B CZ3 1 ATOM 5389 C CH2 . TRP B 1 302 ? -29.464 -19.058 -35.719 1.00 25.13 ? 383 TRP B CH2 1 ATOM 5390 N N . SER B 1 303 ? -29.585 -17.081 -42.834 1.00 21.68 ? 384 SER B N 1 ATOM 5391 C CA . SER B 1 303 ? -30.396 -17.944 -43.706 1.00 22.29 ? 384 SER B CA 1 ATOM 5392 C C . SER B 1 303 ? -29.670 -18.508 -44.925 1.00 22.16 ? 384 SER B C 1 ATOM 5393 O O . SER B 1 303 ? -30.073 -19.547 -45.445 1.00 22.41 ? 384 SER B O 1 ATOM 5394 C CB . SER B 1 303 ? -31.623 -17.168 -44.191 1.00 22.93 ? 384 SER B CB 1 ATOM 5395 O OG . SER B 1 303 ? -32.445 -16.820 -43.091 1.00 23.96 ? 384 SER B OG 1 ATOM 5396 N N . THR B 1 304 ? -28.631 -17.826 -45.401 1.00 21.62 ? 385 THR B N 1 ATOM 5397 C CA . THR B 1 304 ? -27.960 -18.231 -46.633 1.00 21.48 ? 385 THR B CA 1 ATOM 5398 C C . THR B 1 304 ? -26.625 -18.890 -46.328 1.00 21.15 ? 385 THR B C 1 ATOM 5399 O O . THR B 1 304 ? -25.721 -18.233 -45.805 1.00 20.55 ? 385 THR B O 1 ATOM 5400 C CB . THR B 1 304 ? -27.729 -17.032 -47.568 1.00 21.85 ? 385 THR B CB 1 ATOM 5401 O OG1 . THR B 1 304 ? -28.991 -16.476 -47.942 1.00 21.79 ? 385 THR B OG1 1 ATOM 5402 C CG2 . THR B 1 304 ? -26.959 -17.450 -48.830 1.00 22.19 ? 385 THR B CG2 1 ATOM 5403 N N . PRO B 1 305 ? -26.484 -20.184 -46.679 1.00 21.19 ? 386 PRO B N 1 ATOM 5404 C CA . PRO B 1 305 ? -25.220 -20.872 -46.453 1.00 20.97 ? 386 PRO B CA 1 ATOM 5405 C C . PRO B 1 305 ? -24.058 -20.137 -47.100 1.00 20.91 ? 386 PRO B C 1 ATOM 5406 O O . PRO B 1 305 ? -24.152 -19.720 -48.257 1.00 20.83 ? 386 PRO B O 1 ATOM 5407 C CB . PRO B 1 305 ? -25.420 -22.233 -47.132 1.00 21.44 ? 386 PRO B CB 1 ATOM 5408 C CG . PRO B 1 305 ? -26.893 -22.419 -47.209 1.00 21.74 ? 386 PRO B CG 1 ATOM 5409 C CD . PRO B 1 305 ? -27.466 -21.047 -47.365 1.00 21.69 ? 386 PRO B CD 1 ATOM 5410 N N . ASN B 1 306 ? -22.993 -19.955 -46.328 1.00 20.70 ? 387 ASN B N 1 ATOM 5411 C CA . ASN B 1 306 ? -21.723 -19.447 -46.826 1.00 21.04 ? 387 ASN B CA 1 ATOM 5412 C C . ASN B 1 306 ? -21.744 -17.980 -47.271 1.00 20.98 ? 387 ASN B C 1 ATOM 5413 O O . ASN B 1 306 ? -20.875 -17.537 -48.016 1.00 21.11 ? 387 ASN B O 1 ATOM 5414 C CB . ASN B 1 306 ? -21.203 -20.351 -47.955 1.00 21.64 ? 387 ASN B CB 1 ATOM 5415 C CG . ASN B 1 306 ? -19.742 -20.695 -47.785 1.00 21.88 ? 387 ASN B CG 1 ATOM 5416 O OD1 . ASN B 1 306 ? -19.197 -20.571 -46.693 1.00 21.62 ? 387 ASN B OD1 1 ATOM 5417 N ND2 . ASN B 1 306 ? -19.105 -21.132 -48.856 1.00 22.33 ? 387 ASN B ND2 1 ATOM 5418 N N . SER B 1 307 ? -22.728 -17.228 -46.790 1.00 20.82 ? 388 SER B N 1 ATOM 5419 C CA . SER B 1 307 ? -22.843 -15.809 -47.101 1.00 21.15 ? 388 SER B CA 1 ATOM 5420 C C . SER B 1 307 ? -21.632 -15.039 -46.552 1.00 20.85 ? 388 SER B C 1 ATOM 5421 O O . SER B 1 307 ? -21.195 -15.281 -45.420 1.00 20.17 ? 388 SER B O 1 ATOM 5422 C CB . SER B 1 307 ? -24.144 -15.268 -46.506 1.00 21.34 ? 388 SER B CB 1 ATOM 5423 O OG . SER B 1 307 ? -24.379 -15.861 -45.234 1.00 21.80 ? 388 SER B OG 1 ATOM 5424 N N . LYS B 1 308 ? -21.078 -14.138 -47.362 1.00 21.12 ? 389 LYS B N 1 ATOM 5425 C CA . LYS B 1 308 ? -19.886 -13.377 -46.966 1.00 21.44 ? 389 LYS B CA 1 ATOM 5426 C C . LYS B 1 308 ? -19.983 -11.868 -47.213 1.00 22.00 ? 389 LYS B C 1 ATOM 5427 O O . LYS B 1 308 ? -18.980 -11.158 -47.113 1.00 22.25 ? 389 LYS B O 1 ATOM 5428 C CB . LYS B 1 308 ? -18.645 -13.937 -47.671 1.00 21.79 ? 389 LYS B CB 1 ATOM 5429 C CG . LYS B 1 308 ? -18.219 -15.301 -47.163 1.00 21.65 ? 389 LYS B CG 1 ATOM 5430 C CD . LYS B 1 308 ? -16.968 -15.791 -47.865 1.00 21.96 ? 389 LYS B CD 1 ATOM 5431 C CE . LYS B 1 308 ? -16.655 -17.229 -47.490 1.00 22.01 ? 389 LYS B CE 1 ATOM 5432 N NZ . LYS B 1 308 ? -15.326 -17.659 -47.998 1.00 22.16 ? 389 LYS B NZ 1 ATOM 5433 N N . SER B 1 309 ? -21.182 -11.373 -47.508 1.00 22.37 ? 390 SER B N 1 ATOM 5434 C CA . SER B 1 309 ? -21.389 -9.945 -47.693 1.00 23.22 ? 390 SER B CA 1 ATOM 5435 C C . SER B 1 309 ? -21.609 -9.292 -46.333 1.00 22.16 ? 390 SER B C 1 ATOM 5436 O O . SER B 1 309 ? -22.669 -9.452 -45.730 1.00 22.67 ? 390 SER B O 1 ATOM 5437 C CB . SER B 1 309 ? -22.593 -9.688 -48.599 1.00 24.41 ? 390 SER B CB 1 ATOM 5438 O OG . SER B 1 309 ? -22.737 -8.311 -48.877 1.00 26.47 ? 390 SER B OG 1 ATOM 5439 N N . GLN B 1 310 ? -20.613 -8.559 -45.845 1.00 21.09 ? 391 GLN B N 1 ATOM 5440 C CA . GLN B 1 310 ? -20.772 -7.861 -44.574 1.00 20.30 ? 391 GLN B CA 1 ATOM 5441 C C . GLN B 1 310 ? -21.013 -6.379 -44.772 1.00 19.65 ? 391 GLN B C 1 ATOM 5442 O O . GLN B 1 310 ? -20.746 -5.827 -45.839 1.00 19.52 ? 391 GLN B O 1 ATOM 5443 C CB . GLN B 1 310 ? -19.586 -8.100 -43.632 1.00 20.52 ? 391 GLN B CB 1 ATOM 5444 C CG . GLN B 1 310 ? -18.239 -7.610 -44.118 1.00 20.67 ? 391 GLN B CG 1 ATOM 5445 C CD . GLN B 1 310 ? -17.268 -7.411 -42.971 1.00 20.80 ? 391 GLN B CD 1 ATOM 5446 O OE1 . GLN B 1 310 ? -16.485 -8.305 -42.628 1.00 21.67 ? 391 GLN B OE1 1 ATOM 5447 N NE2 . GLN B 1 310 ? -17.325 -6.250 -42.360 1.00 20.44 ? 391 GLN B NE2 1 ATOM 5448 N N . VAL B 1 311 ? -21.545 -5.757 -43.729 1.00 18.79 ? 392 VAL B N 1 ATOM 5449 C CA . VAL B 1 311 ? -21.807 -4.332 -43.703 1.00 18.68 ? 392 VAL B CA 1 ATOM 5450 C C . VAL B 1 311 ? -21.815 -3.891 -42.237 1.00 18.17 ? 392 VAL B C 1 ATOM 5451 O O . VAL B 1 311 ? -21.949 -4.725 -41.340 1.00 17.44 ? 392 VAL B O 1 ATOM 5452 C CB . VAL B 1 311 ? -23.150 -3.998 -44.395 1.00 19.13 ? 392 VAL B CB 1 ATOM 5453 C CG1 . VAL B 1 311 ? -24.332 -4.521 -43.589 1.00 19.10 ? 392 VAL B CG1 1 ATOM 5454 C CG2 . VAL B 1 311 ? -23.283 -2.504 -44.645 1.00 19.45 ? 392 VAL B CG2 1 ATOM 5455 N N . ASN B 1 312 ? -21.650 -2.590 -42.007 1.00 18.20 ? 393 ASN B N 1 ATOM 5456 C CA . ASN B 1 312 ? -21.741 -2.008 -40.666 1.00 18.12 ? 393 ASN B CA 1 ATOM 5457 C C . ASN B 1 312 ? -20.685 -2.551 -39.712 1.00 17.42 ? 393 ASN B C 1 ATOM 5458 O O . ASN B 1 312 ? -20.955 -2.771 -38.529 1.00 17.03 ? 393 ASN B O 1 ATOM 5459 C CB . ASN B 1 312 ? -23.154 -2.187 -40.083 1.00 18.96 ? 393 ASN B CB 1 ATOM 5460 C CG . ASN B 1 312 ? -24.210 -1.457 -40.883 1.00 20.07 ? 393 ASN B CG 1 ATOM 5461 O OD1 . ASN B 1 312 ? -23.936 -0.445 -41.530 1.00 21.49 ? 393 ASN B OD1 1 ATOM 5462 N ND2 . ASN B 1 312 ? -25.433 -1.967 -40.841 1.00 20.97 ? 393 ASN B ND2 1 ATOM 5463 N N . ARG B 1 313 ? -19.469 -2.733 -40.228 1.00 16.85 ? 394 ARG B N 1 ATOM 5464 C CA . ARG B 1 313 ? -18.355 -3.149 -39.394 1.00 16.37 ? 394 ARG B CA 1 ATOM 5465 C C . ARG B 1 313 ? -18.019 -2.076 -38.367 1.00 15.88 ? 394 ARG B C 1 ATOM 5466 O O . ARG B 1 313 ? -18.071 -0.882 -38.662 1.00 15.67 ? 394 ARG B O 1 ATOM 5467 C CB . ARG B 1 313 ? -17.112 -3.431 -40.237 1.00 16.73 ? 394 ARG B CB 1 ATOM 5468 C CG . ARG B 1 313 ? -15.899 -3.866 -39.428 1.00 16.78 ? 394 ARG B CG 1 ATOM 5469 C CD . ARG B 1 313 ? -14.817 -4.451 -40.317 1.00 17.10 ? 394 ARG B CD 1 ATOM 5470 N NE . ARG B 1 313 ? -13.645 -4.884 -39.558 1.00 17.29 ? 394 ARG B NE 1 ATOM 5471 C CZ . ARG B 1 313 ? -12.555 -4.150 -39.317 1.00 17.43 ? 394 ARG B CZ 1 ATOM 5472 N NH1 . ARG B 1 313 ? -12.441 -2.900 -39.756 1.00 17.70 ? 394 ARG B NH1 1 ATOM 5473 N NH2 . ARG B 1 313 ? -11.557 -4.681 -38.621 1.00 17.52 ? 394 ARG B NH2 1 ATOM 5474 N N . GLN B 1 314 ? -17.677 -2.522 -37.166 1.00 15.44 ? 395 GLN B N 1 ATOM 5475 C CA . GLN B 1 314 ? -17.055 -1.665 -36.158 1.00 15.12 ? 395 GLN B CA 1 ATOM 5476 C C . GLN B 1 314 ? -15.874 -2.365 -35.516 1.00 14.92 ? 395 GLN B C 1 ATOM 5477 O O . GLN B 1 314 ? -15.963 -3.537 -35.141 1.00 14.58 ? 395 GLN B O 1 ATOM 5478 C CB . GLN B 1 314 ? -18.054 -1.307 -35.063 1.00 14.97 ? 395 GLN B CB 1 ATOM 5479 C CG . GLN B 1 314 ? -19.261 -0.523 -35.549 1.00 15.30 ? 395 GLN B CG 1 ATOM 5480 C CD . GLN B 1 314 ? -20.299 -0.356 -34.458 1.00 15.30 ? 395 GLN B CD 1 ATOM 5481 O OE1 . GLN B 1 314 ? -21.345 -1.006 -34.483 1.00 15.85 ? 395 GLN B OE1 1 ATOM 5482 N NE2 . GLN B 1 314 ? -20.005 0.496 -33.480 1.00 15.19 ? 395 GLN B NE2 1 ATOM 5483 N N . VAL B 1 315 ? -14.773 -1.631 -35.373 1.00 14.74 ? 396 VAL B N 1 ATOM 5484 C CA . VAL B 1 315 ? -13.672 -2.073 -34.540 1.00 14.79 ? 396 VAL B CA 1 ATOM 5485 C C . VAL B 1 315 ? -14.026 -1.774 -33.087 1.00 14.79 ? 396 VAL B C 1 ATOM 5486 O O . VAL B 1 315 ? -14.376 -0.644 -32.744 1.00 15.20 ? 396 VAL B O 1 ATOM 5487 C CB . VAL B 1 315 ? -12.363 -1.338 -34.896 1.00 14.82 ? 396 VAL B CB 1 ATOM 5488 C CG1 . VAL B 1 315 ? -11.249 -1.748 -33.941 1.00 14.91 ? 396 VAL B CG1 1 ATOM 5489 C CG2 . VAL B 1 315 ? -11.982 -1.619 -36.340 1.00 15.07 ? 396 VAL B CG2 1 ATOM 5490 N N . ILE B 1 316 ? -13.948 -2.783 -32.235 1.00 14.75 ? 397 ILE B N 1 ATOM 5491 C CA . ILE B 1 316 ? -14.152 -2.584 -30.795 1.00 14.76 ? 397 ILE B CA 1 ATOM 5492 C C . ILE B 1 316 ? -12.787 -2.477 -30.107 1.00 14.70 ? 397 ILE B C 1 ATOM 5493 O O . ILE B 1 316 ? -12.576 -1.621 -29.258 1.00 14.52 ? 397 ILE B O 1 ATOM 5494 C CB . ILE B 1 316 ? -14.985 -3.728 -30.189 1.00 14.64 ? 397 ILE B CB 1 ATOM 5495 C CG1 . ILE B 1 316 ? -16.267 -3.952 -31.007 1.00 14.83 ? 397 ILE B CG1 1 ATOM 5496 C CG2 . ILE B 1 316 ? -15.304 -3.452 -28.719 1.00 14.53 ? 397 ILE B CG2 1 ATOM 5497 C CD1 . ILE B 1 316 ? -17.196 -2.750 -31.085 1.00 15.03 ? 397 ILE B CD1 1 ATOM 5498 N N . VAL B 1 317 ? -11.875 -3.365 -30.490 1.00 14.99 ? 398 VAL B N 1 ATOM 5499 C CA . VAL B 1 317 ? -10.497 -3.373 -30.009 1.00 15.39 ? 398 VAL B CA 1 ATOM 5500 C C . VAL B 1 317 ? -9.609 -3.557 -31.226 1.00 15.95 ? 398 VAL B C 1 ATOM 5501 O O . VAL B 1 317 ? -9.783 -4.527 -31.962 1.00 15.58 ? 398 VAL B O 1 ATOM 5502 C CB . VAL B 1 317 ? -10.262 -4.548 -29.034 1.00 15.26 ? 398 VAL B CB 1 ATOM 5503 C CG1 . VAL B 1 317 ? -8.817 -4.572 -28.539 1.00 15.48 ? 398 VAL B CG1 1 ATOM 5504 C CG2 . VAL B 1 317 ? -11.257 -4.482 -27.882 1.00 15.18 ? 398 VAL B CG2 1 ATOM 5505 N N . ASP B 1 318 ? -8.650 -2.656 -31.451 1.00 17.01 ? 399 ASP B N 1 ATOM 5506 C CA . ASP B 1 318 ? -7.781 -2.807 -32.619 1.00 18.17 ? 399 ASP B CA 1 ATOM 5507 C C . ASP B 1 318 ? -6.858 -4.026 -32.476 1.00 18.10 ? 399 ASP B C 1 ATOM 5508 O O . ASP B 1 318 ? -6.674 -4.556 -31.377 1.00 16.92 ? 399 ASP B O 1 ATOM 5509 C CB . ASP B 1 318 ? -7.006 -1.515 -32.953 1.00 19.49 ? 399 ASP B CB 1 ATOM 5510 C CG . ASP B 1 318 ? -5.891 -1.199 -31.972 1.00 20.87 ? 399 ASP B CG 1 ATOM 5511 O OD1 . ASP B 1 318 ? -5.200 -2.106 -31.465 1.00 21.52 ? 399 ASP B OD1 1 ATOM 5512 O OD2 . ASP B 1 318 ? -5.670 0.008 -31.750 1.00 24.37 ? 399 ASP B OD2 1 ATOM 5513 N N . ASN B 1 319 ? -6.292 -4.470 -33.598 1.00 18.64 ? 400 ASN B N 1 ATOM 5514 C CA . ASN B 1 319 ? -5.521 -5.715 -33.620 1.00 19.38 ? 400 ASN B CA 1 ATOM 5515 C C . ASN B 1 319 ? -4.105 -5.617 -33.049 1.00 19.78 ? 400 ASN B C 1 ATOM 5516 O O . ASN B 1 319 ? -3.345 -6.589 -33.108 1.00 20.23 ? 400 ASN B O 1 ATOM 5517 C CB . ASN B 1 319 ? -5.471 -6.311 -35.037 1.00 20.12 ? 400 ASN B CB 1 ATOM 5518 C CG . ASN B 1 319 ? -5.166 -7.805 -35.033 1.00 20.45 ? 400 ASN B CG 1 ATOM 5519 O OD1 . ASN B 1 319 ? -5.569 -8.540 -34.125 1.00 20.52 ? 400 ASN B OD1 1 ATOM 5520 N ND2 . ASN B 1 319 ? -4.451 -8.260 -36.048 1.00 21.32 ? 400 ASN B ND2 1 ATOM 5521 N N . ASN B 1 320 ? -3.743 -4.465 -32.488 1.00 19.74 ? 401 ASN B N 1 ATOM 5522 C CA . ASN B 1 320 ? -2.507 -4.367 -31.714 1.00 20.36 ? 401 ASN B CA 1 ATOM 5523 C C . ASN B 1 320 ? -2.757 -4.588 -30.230 1.00 19.00 ? 401 ASN B C 1 ATOM 5524 O O . ASN B 1 320 ? -1.857 -4.396 -29.417 1.00 19.00 ? 401 ASN B O 1 ATOM 5525 C CB . ASN B 1 320 ? -1.842 -3.011 -31.936 1.00 22.08 ? 401 ASN B CB 1 ATOM 5526 C CG . ASN B 1 320 ? -1.323 -2.848 -33.345 1.00 23.97 ? 401 ASN B CG 1 ATOM 5527 O OD1 . ASN B 1 320 ? -0.811 -3.792 -33.946 1.00 26.54 ? 401 ASN B OD1 1 ATOM 5528 N ND2 . ASN B 1 320 ? -1.451 -1.651 -33.880 1.00 25.91 ? 401 ASN B ND2 1 ATOM 5529 N N . ASN B 1 321 ? -3.980 -4.986 -29.877 1.00 17.63 ? 402 ASN B N 1 ATOM 5530 C CA . ASN B 1 321 ? -4.342 -5.199 -28.485 1.00 16.95 ? 402 ASN B CA 1 ATOM 5531 C C . ASN B 1 321 ? -5.065 -6.523 -28.263 1.00 16.47 ? 402 ASN B C 1 ATOM 5532 O O . ASN B 1 321 ? -5.810 -6.999 -29.134 1.00 16.31 ? 402 ASN B O 1 ATOM 5533 C CB . ASN B 1 321 ? -5.206 -4.035 -27.998 1.00 16.95 ? 402 ASN B CB 1 ATOM 5534 C CG . ASN B 1 321 ? -4.391 -2.782 -27.748 1.00 17.22 ? 402 ASN B CG 1 ATOM 5535 O OD1 . ASN B 1 321 ? -3.743 -2.654 -26.713 1.00 17.45 ? 402 ASN B OD1 1 ATOM 5536 N ND2 . ASN B 1 321 ? -4.417 -1.857 -28.693 1.00 17.27 ? 402 ASN B ND2 1 ATOM 5537 N N . TRP B 1 322 ? -4.855 -7.089 -27.076 1.00 15.90 ? 403 TRP B N 1 ATOM 5538 C CA . TRP B 1 322 ? -5.378 -8.397 -26.724 1.00 15.46 ? 403 TRP B CA 1 ATOM 5539 C C . TRP B 1 322 ? -6.865 -8.343 -26.414 1.00 15.02 ? 403 TRP B C 1 ATOM 5540 O O . TRP B 1 322 ? -7.350 -7.417 -25.762 1.00 14.75 ? 403 TRP B O 1 ATOM 5541 C CB . TRP B 1 322 ? -4.619 -8.982 -25.529 1.00 15.69 ? 403 TRP B CB 1 ATOM 5542 C CG . TRP B 1 322 ? -3.167 -9.154 -25.807 1.00 16.23 ? 403 TRP B CG 1 ATOM 5543 C CD1 . TRP B 1 322 ? -2.137 -8.494 -25.209 1.00 16.41 ? 403 TRP B CD1 1 ATOM 5544 C CD2 . TRP B 1 322 ? -2.580 -10.009 -26.795 1.00 16.74 ? 403 TRP B CD2 1 ATOM 5545 N NE1 . TRP B 1 322 ? -0.938 -8.897 -25.752 1.00 17.00 ? 403 TRP B NE1 1 ATOM 5546 C CE2 . TRP B 1 322 ? -1.182 -9.831 -26.725 1.00 17.17 ? 403 TRP B CE2 1 ATOM 5547 C CE3 . TRP B 1 322 ? -3.101 -10.922 -27.720 1.00 17.19 ? 403 TRP B CE3 1 ATOM 5548 C CZ2 . TRP B 1 322 ? -0.293 -10.529 -27.555 1.00 17.70 ? 403 TRP B CZ2 1 ATOM 5549 C CZ3 . TRP B 1 322 ? -2.220 -11.616 -28.547 1.00 17.56 ? 403 TRP B CZ3 1 ATOM 5550 C CH2 . TRP B 1 322 ? -0.830 -11.412 -28.459 1.00 17.87 ? 403 TRP B CH2 1 ATOM 5551 N N . SER B 1 323 ? -7.586 -9.346 -26.896 1.00 14.70 ? 404 SER B N 1 ATOM 5552 C CA . SER B 1 323 ? -8.989 -9.527 -26.537 1.00 14.16 ? 404 SER B CA 1 ATOM 5553 C C . SER B 1 323 ? -9.102 -10.819 -25.729 1.00 13.94 ? 404 SER B C 1 ATOM 5554 O O . SER B 1 323 ? -8.313 -11.029 -24.805 1.00 13.74 ? 404 SER B O 1 ATOM 5555 C CB . SER B 1 323 ? -9.885 -9.491 -27.779 1.00 14.30 ? 404 SER B CB 1 ATOM 5556 O OG . SER B 1 323 ? -9.497 -10.465 -28.740 1.00 14.42 ? 404 SER B OG 1 ATOM 5557 N N . GLY B 1 324 ? -10.078 -11.670 -26.042 1.00 13.87 ? 405 GLY B N 1 ATOM 5558 C CA . GLY B 1 324 ? -10.381 -12.821 -25.205 1.00 13.62 ? 405 GLY B CA 1 ATOM 5559 C C . GLY B 1 324 ? -11.788 -13.306 -25.473 1.00 13.47 ? 405 GLY B C 1 ATOM 5560 O O . GLY B 1 324 ? -12.290 -13.178 -26.587 1.00 13.54 ? 405 GLY B O 1 ATOM 5561 N N . TYR B 1 325 ? -12.427 -13.847 -24.444 1.00 13.16 ? 406 TYR B N 1 ATOM 5562 C CA . TYR B 1 325 ? -13.815 -14.275 -24.545 1.00 13.06 ? 406 TYR B CA 1 ATOM 5563 C C . TYR B 1 325 ? -14.746 -13.091 -24.825 1.00 13.08 ? 406 TYR B C 1 ATOM 5564 O O . TYR B 1 325 ? -14.439 -11.943 -24.508 1.00 13.25 ? 406 TYR B O 1 ATOM 5565 C CB . TYR B 1 325 ? -14.236 -14.975 -23.244 1.00 12.92 ? 406 TYR B CB 1 ATOM 5566 C CG . TYR B 1 325 ? -13.776 -16.411 -23.094 1.00 13.10 ? 406 TYR B CG 1 ATOM 5567 C CD1 . TYR B 1 325 ? -12.771 -16.946 -23.898 1.00 13.27 ? 406 TYR B CD1 1 ATOM 5568 C CD2 . TYR B 1 325 ? -14.357 -17.247 -22.136 1.00 13.19 ? 406 TYR B CD2 1 ATOM 5569 C CE1 . TYR B 1 325 ? -12.368 -18.265 -23.761 1.00 13.65 ? 406 TYR B CE1 1 ATOM 5570 C CE2 . TYR B 1 325 ? -13.953 -18.565 -21.993 1.00 13.37 ? 406 TYR B CE2 1 ATOM 5571 C CZ . TYR B 1 325 ? -12.965 -19.069 -22.812 1.00 13.56 ? 406 TYR B CZ 1 ATOM 5572 O OH . TYR B 1 325 ? -12.563 -20.380 -22.679 1.00 14.06 ? 406 TYR B OH 1 ATOM 5573 N N . SER B 1 326 ? -15.889 -13.381 -25.423 1.00 13.18 ? 407 SER B N 1 ATOM 5574 C CA . SER B 1 326 ? -16.941 -12.396 -25.562 1.00 13.25 ? 407 SER B CA 1 ATOM 5575 C C . SER B 1 326 ? -18.259 -13.123 -25.463 1.00 13.57 ? 407 SER B C 1 ATOM 5576 O O . SER B 1 326 ? -18.325 -14.330 -25.714 1.00 13.92 ? 407 SER B O 1 ATOM 5577 C CB . SER B 1 326 ? -16.840 -11.652 -26.892 1.00 13.40 ? 407 SER B CB 1 ATOM 5578 O OG . SER B 1 326 ? -16.830 -12.548 -27.989 1.00 13.67 ? 407 SER B OG 1 ATOM 5579 N N . GLY B 1 327 ? -19.296 -12.401 -25.075 1.00 13.52 ? 408 GLY B N 1 ATOM 5580 C CA . GLY B 1 327 ? -20.594 -13.007 -24.901 1.00 13.72 ? 408 GLY B CA 1 ATOM 5581 C C . GLY B 1 327 ? -21.708 -11.998 -25.001 1.00 13.92 ? 408 GLY B C 1 ATOM 5582 O O . GLY B 1 327 ? -21.492 -10.793 -24.905 1.00 13.81 ? 408 GLY B O 1 ATOM 5583 N N . ILE B 1 328 ? -22.911 -12.514 -25.202 1.00 13.97 ? 409 ILE B N 1 ATOM 5584 C CA . ILE B 1 328 ? -24.089 -11.687 -25.357 1.00 14.17 ? 409 ILE B CA 1 ATOM 5585 C C . ILE B 1 328 ? -24.809 -11.535 -24.014 1.00 14.09 ? 409 ILE B C 1 ATOM 5586 O O . ILE B 1 328 ? -24.719 -12.393 -23.140 1.00 13.55 ? 409 ILE B O 1 ATOM 5587 C CB . ILE B 1 328 ? -25.031 -12.309 -26.415 1.00 14.66 ? 409 ILE B CB 1 ATOM 5588 C CG1 . ILE B 1 328 ? -26.015 -11.282 -26.980 1.00 15.09 ? 409 ILE B CG1 1 ATOM 5589 C CG2 . ILE B 1 328 ? -25.800 -13.502 -25.853 1.00 14.84 ? 409 ILE B CG2 1 ATOM 5590 C CD1 . ILE B 1 328 ? -26.716 -11.785 -28.228 1.00 15.33 ? 409 ILE B CD1 1 ATOM 5591 N N . PHE B 1 329 ? -25.499 -10.415 -23.854 1.00 14.16 ? 410 PHE B N 1 ATOM 5592 C CA . PHE B 1 329 ? -26.553 -10.303 -22.857 1.00 14.31 ? 410 PHE B CA 1 ATOM 5593 C C . PHE B 1 329 ? -27.682 -9.475 -23.430 1.00 14.41 ? 410 PHE B C 1 ATOM 5594 O O . PHE B 1 329 ? -27.480 -8.729 -24.380 1.00 14.55 ? 410 PHE B O 1 ATOM 5595 C CB . PHE B 1 329 ? -26.048 -9.763 -21.509 1.00 14.27 ? 410 PHE B CB 1 ATOM 5596 C CG . PHE B 1 329 ? -25.489 -8.359 -21.544 1.00 14.42 ? 410 PHE B CG 1 ATOM 5597 C CD1 . PHE B 1 329 ? -24.199 -8.112 -21.998 1.00 14.48 ? 410 PHE B CD1 1 ATOM 5598 C CD2 . PHE B 1 329 ? -26.233 -7.291 -21.055 1.00 14.75 ? 410 PHE B CD2 1 ATOM 5599 C CE1 . PHE B 1 329 ? -23.671 -6.828 -21.979 1.00 14.47 ? 410 PHE B CE1 1 ATOM 5600 C CE2 . PHE B 1 329 ? -25.710 -6.000 -21.044 1.00 14.80 ? 410 PHE B CE2 1 ATOM 5601 C CZ . PHE B 1 329 ? -24.430 -5.770 -21.509 1.00 14.70 ? 410 PHE B CZ 1 ATOM 5602 N N . SER B 1 330 ? -28.874 -9.631 -22.863 1.00 14.57 ? 411 SER B N 1 ATOM 5603 C CA . SER B 1 330 ? -30.058 -8.984 -23.393 1.00 15.02 ? 411 SER B CA 1 ATOM 5604 C C . SER B 1 330 ? -30.667 -8.066 -22.340 1.00 15.27 ? 411 SER B C 1 ATOM 5605 O O . SER B 1 330 ? -30.655 -8.379 -21.150 1.00 15.15 ? 411 SER B O 1 ATOM 5606 C CB . SER B 1 330 ? -31.068 -10.034 -23.873 1.00 15.36 ? 411 SER B CB 1 ATOM 5607 O OG . SER B 1 330 ? -30.499 -10.825 -24.918 1.00 15.19 ? 411 SER B OG 1 ATOM 5608 N N . VAL B 1 331 ? -31.184 -6.928 -22.793 1.00 15.86 ? 412 VAL B N 1 ATOM 5609 C CA . VAL B 1 331 ? -31.701 -5.882 -21.908 1.00 16.49 ? 412 VAL B CA 1 ATOM 5610 C C . VAL B 1 331 ? -33.072 -5.436 -22.405 1.00 17.41 ? 412 VAL B C 1 ATOM 5611 O O . VAL B 1 331 ? -33.218 -5.027 -23.558 1.00 17.20 ? 412 VAL B O 1 ATOM 5612 C CB . VAL B 1 331 ? -30.753 -4.661 -21.869 1.00 16.37 ? 412 VAL B CB 1 ATOM 5613 C CG1 . VAL B 1 331 ? -31.271 -3.599 -20.904 1.00 16.73 ? 412 VAL B CG1 1 ATOM 5614 C CG2 . VAL B 1 331 ? -29.352 -5.097 -21.462 1.00 16.34 ? 412 VAL B CG2 1 ATOM 5615 N N . GLU B 1 332 ? -34.071 -5.526 -21.534 1.00 18.62 ? 413 GLU B N 1 ATOM 5616 C CA . GLU B 1 332 ? -35.434 -5.176 -21.903 1.00 19.94 ? 413 GLU B CA 1 ATOM 5617 C C . GLU B 1 332 ? -35.630 -3.663 -21.920 1.00 20.56 ? 413 GLU B C 1 ATOM 5618 O O . GLU B 1 332 ? -35.398 -2.988 -20.916 1.00 20.65 ? 413 GLU B O 1 ATOM 5619 C CB . GLU B 1 332 ? -36.430 -5.818 -20.937 1.00 20.83 ? 413 GLU B CB 1 ATOM 5620 C CG . GLU B 1 332 ? -37.878 -5.538 -21.305 1.00 21.94 ? 413 GLU B CG 1 ATOM 5621 C CD . GLU B 1 332 ? -38.868 -6.348 -20.497 1.00 23.12 ? 413 GLU B CD 1 ATOM 5622 O OE1 . GLU B 1 332 ? -38.443 -7.113 -19.599 1.00 23.45 ? 413 GLU B OE1 1 ATOM 5623 O OE2 . GLU B 1 332 ? -40.082 -6.212 -20.762 1.00 24.26 ? 413 GLU B OE2 1 ATOM 5624 N N . GLY B 1 333 ? -36.050 -3.145 -23.069 1.00 21.66 ? 414 GLY B N 1 ATOM 5625 C CA . GLY B 1 333 ? -36.402 -1.742 -23.217 1.00 23.07 ? 414 GLY B CA 1 ATOM 5626 C C . GLY B 1 333 ? -37.901 -1.549 -23.126 1.00 24.74 ? 414 GLY B C 1 ATOM 5627 O O . GLY B 1 333 ? -38.653 -2.498 -22.872 1.00 24.32 ? 414 GLY B O 1 ATOM 5628 N N . LYS B 1 334 ? -38.333 -0.311 -23.346 1.00 26.81 ? 415 LYS B N 1 ATOM 5629 C CA . LYS B 1 334 ? -39.747 0.039 -23.279 1.00 28.70 ? 415 LYS B CA 1 ATOM 5630 C C . LYS B 1 334 ? -40.572 -0.820 -24.231 1.00 28.47 ? 415 LYS B C 1 ATOM 5631 O O . LYS B 1 334 ? -41.581 -1.390 -23.829 1.00 29.18 ? 415 LYS B O 1 ATOM 5632 C CB . LYS B 1 334 ? -39.947 1.525 -23.600 1.00 30.91 ? 415 LYS B CB 1 ATOM 5633 C CG . LYS B 1 334 ? -41.349 2.034 -23.304 1.00 33.36 ? 415 LYS B CG 1 ATOM 5634 C CD . LYS B 1 334 ? -41.433 3.556 -23.361 1.00 35.03 ? 415 LYS B CD 1 ATOM 5635 C CE . LYS B 1 334 ? -42.576 4.064 -22.495 1.00 36.59 ? 415 LYS B CE 1 ATOM 5636 N NZ . LYS B 1 334 ? -42.859 5.507 -22.718 1.00 37.71 ? 415 LYS B NZ 1 ATOM 5637 N N . SER B 1 335 ? -40.134 -0.928 -25.484 1.00 27.71 ? 416 SER B N 1 ATOM 5638 C CA . SER B 1 335 ? -40.896 -1.664 -26.493 1.00 28.08 ? 416 SER B CA 1 ATOM 5639 C C . SER B 1 335 ? -40.141 -2.802 -27.194 1.00 26.37 ? 416 SER B C 1 ATOM 5640 O O . SER B 1 335 ? -40.732 -3.521 -27.999 1.00 26.32 ? 416 SER B O 1 ATOM 5641 C CB . SER B 1 335 ? -41.425 -0.682 -27.535 1.00 29.25 ? 416 SER B CB 1 ATOM 5642 O OG . SER B 1 335 ? -40.344 -0.050 -28.187 1.00 30.83 ? 416 SER B OG 1 ATOM 5643 N N . CYS B 1 336 ? -38.851 -2.978 -26.906 1.00 24.38 ? 417 CYS B N 1 ATOM 5644 C CA . CYS B 1 336 ? -38.094 -4.052 -27.538 1.00 23.21 ? 417 CYS B CA 1 ATOM 5645 C C . CYS B 1 336 ? -36.995 -4.592 -26.636 1.00 21.01 ? 417 CYS B C 1 ATOM 5646 O O . CYS B 1 336 ? -36.629 -3.963 -25.644 1.00 20.54 ? 417 CYS B O 1 ATOM 5647 C CB . CYS B 1 336 ? -37.507 -3.591 -28.879 1.00 24.19 ? 417 CYS B CB 1 ATOM 5648 S SG . CYS B 1 336 ? -36.384 -2.171 -28.806 1.00 25.85 ? 417 CYS B SG 1 ATOM 5649 N N . ILE B 1 337 ? -36.490 -5.768 -26.995 1.00 19.26 ? 418 ILE B N 1 ATOM 5650 C CA . ILE B 1 337 ? -35.385 -6.395 -26.294 1.00 18.00 ? 418 ILE B CA 1 ATOM 5651 C C . ILE B 1 337 ? -34.112 -6.077 -27.064 1.00 16.97 ? 418 ILE B C 1 ATOM 5652 O O . ILE B 1 337 ? -34.003 -6.391 -28.248 1.00 16.64 ? 418 ILE B O 1 ATOM 5653 C CB . ILE B 1 337 ? -35.554 -7.930 -26.220 1.00 18.03 ? 418 ILE B CB 1 ATOM 5654 C CG1 . ILE B 1 337 ? -36.900 -8.308 -25.579 1.00 18.36 ? 418 ILE B CG1 1 ATOM 5655 C CG2 . ILE B 1 337 ? -34.384 -8.573 -25.484 1.00 17.59 ? 418 ILE B CG2 1 ATOM 5656 C CD1 . ILE B 1 337 ? -37.174 -7.653 -24.245 1.00 18.56 ? 418 ILE B CD1 1 ATOM 5657 N N . ASN B 1 338 ? -33.156 -5.452 -26.391 1.00 16.21 ? 419 ASN B N 1 ATOM 5658 C CA . ASN B 1 338 ? -31.893 -5.084 -27.017 1.00 15.92 ? 419 ASN B CA 1 ATOM 5659 C C . ASN B 1 338 ? -30.854 -6.168 -26.782 1.00 15.48 ? 419 ASN B C 1 ATOM 5660 O O . ASN B 1 338 ? -30.944 -6.913 -25.796 1.00 15.43 ? 419 ASN B O 1 ATOM 5661 C CB . ASN B 1 338 ? -31.392 -3.755 -26.439 1.00 15.74 ? 419 ASN B CB 1 ATOM 5662 C CG . ASN B 1 338 ? -30.392 -3.062 -27.342 1.00 15.70 ? 419 ASN B CG 1 ATOM 5663 O OD1 . ASN B 1 338 ? -30.311 -3.344 -28.539 1.00 15.81 ? 419 ASN B OD1 1 ATOM 5664 N ND2 . ASN B 1 338 ? -29.634 -2.128 -26.772 1.00 15.50 ? 419 ASN B ND2 1 ATOM 5665 N N . ARG B 1 339 ? -29.879 -6.260 -27.689 1.00 15.22 ? 420 ARG B N 1 ATOM 5666 C CA . ARG B 1 339 ? -28.750 -7.176 -27.544 1.00 15.06 ? 420 ARG B CA 1 ATOM 5667 C C . ARG B 1 339 ? -27.494 -6.369 -27.262 1.00 14.86 ? 420 ARG B C 1 ATOM 5668 O O . ARG B 1 339 ? -27.221 -5.394 -27.957 1.00 14.92 ? 420 ARG B O 1 ATOM 5669 C CB . ARG B 1 339 ? -28.531 -7.995 -28.814 1.00 15.19 ? 420 ARG B CB 1 ATOM 5670 C CG . ARG B 1 339 ? -29.761 -8.708 -29.352 1.00 15.62 ? 420 ARG B CG 1 ATOM 5671 C CD . ARG B 1 339 ? -30.459 -9.593 -28.334 1.00 15.64 ? 420 ARG B CD 1 ATOM 5672 N NE . ARG B 1 339 ? -31.563 -10.281 -28.990 1.00 16.11 ? 420 ARG B NE 1 ATOM 5673 C CZ . ARG B 1 339 ? -32.463 -11.055 -28.391 1.00 16.30 ? 420 ARG B CZ 1 ATOM 5674 N NH1 . ARG B 1 339 ? -32.422 -11.286 -27.081 1.00 16.16 ? 420 ARG B NH1 1 ATOM 5675 N NH2 . ARG B 1 339 ? -33.412 -11.611 -29.128 1.00 16.79 ? 420 ARG B NH2 1 ATOM 5676 N N . CYS B 1 340 ? -26.740 -6.787 -26.248 1.00 14.88 ? 421 CYS B N 1 ATOM 5677 C CA . CYS B 1 340 ? -25.464 -6.163 -25.890 1.00 14.93 ? 421 CYS B CA 1 ATOM 5678 C C . CYS B 1 340 ? -24.399 -7.241 -25.856 1.00 14.57 ? 421 CYS B C 1 ATOM 5679 O O . CYS B 1 340 ? -24.712 -8.424 -25.870 1.00 14.49 ? 421 CYS B O 1 ATOM 5680 C CB . CYS B 1 340 ? -25.571 -5.509 -24.509 1.00 15.28 ? 421 CYS B CB 1 ATOM 5681 S SG . CYS B 1 340 ? -26.845 -4.227 -24.343 1.00 16.31 ? 421 CYS B SG 1 ATOM 5682 N N . PHE B 1 341 ? -23.135 -6.840 -25.807 1.00 14.12 ? 422 PHE B N 1 ATOM 5683 C CA . PHE B 1 341 ? -22.057 -7.804 -25.625 1.00 13.96 ? 422 PHE B CA 1 ATOM 5684 C C . PHE B 1 341 ? -20.910 -7.210 -24.824 1.00 13.73 ? 422 PHE B C 1 ATOM 5685 O O . PHE B 1 341 ? -20.754 -5.990 -24.751 1.00 13.93 ? 422 PHE B O 1 ATOM 5686 C CB . PHE B 1 341 ? -21.557 -8.329 -26.978 1.00 13.99 ? 422 PHE B CB 1 ATOM 5687 C CG . PHE B 1 341 ? -20.833 -7.304 -27.797 1.00 14.07 ? 422 PHE B CG 1 ATOM 5688 C CD1 . PHE B 1 341 ? -21.532 -6.435 -28.623 1.00 14.26 ? 422 PHE B CD1 1 ATOM 5689 C CD2 . PHE B 1 341 ? -19.453 -7.203 -27.739 1.00 14.09 ? 422 PHE B CD2 1 ATOM 5690 C CE1 . PHE B 1 341 ? -20.865 -5.493 -29.381 1.00 14.39 ? 422 PHE B CE1 1 ATOM 5691 C CE2 . PHE B 1 341 ? -18.778 -6.257 -28.496 1.00 14.14 ? 422 PHE B CE2 1 ATOM 5692 C CZ . PHE B 1 341 ? -19.484 -5.404 -29.314 1.00 14.39 ? 422 PHE B CZ 1 ATOM 5693 N N . TYR B 1 342 ? -20.132 -8.091 -24.208 1.00 13.55 ? 423 TYR B N 1 ATOM 5694 C CA . TYR B 1 342 ? -18.907 -7.712 -23.516 1.00 13.43 ? 423 TYR B CA 1 ATOM 5695 C C . TYR B 1 342 ? -17.749 -8.380 -24.235 1.00 13.19 ? 423 TYR B C 1 ATOM 5696 O O . TYR B 1 342 ? -17.933 -9.400 -24.908 1.00 13.03 ? 423 TYR B O 1 ATOM 5697 C CB . TYR B 1 342 ? -18.937 -8.164 -22.043 1.00 13.35 ? 423 TYR B CB 1 ATOM 5698 C CG . TYR B 1 342 ? -18.992 -9.661 -21.927 1.00 13.30 ? 423 TYR B CG 1 ATOM 5699 C CD1 . TYR B 1 342 ? -20.214 -10.325 -21.911 1.00 13.35 ? 423 TYR B CD1 1 ATOM 5700 C CD2 . TYR B 1 342 ? -17.824 -10.421 -21.894 1.00 13.39 ? 423 TYR B CD2 1 ATOM 5701 C CE1 . TYR B 1 342 ? -20.278 -11.703 -21.846 1.00 13.34 ? 423 TYR B CE1 1 ATOM 5702 C CE2 . TYR B 1 342 ? -17.878 -11.798 -21.835 1.00 13.40 ? 423 TYR B CE2 1 ATOM 5703 C CZ . TYR B 1 342 ? -19.111 -12.433 -21.806 1.00 13.40 ? 423 TYR B CZ 1 ATOM 5704 O OH . TYR B 1 342 ? -19.170 -13.803 -21.750 1.00 13.54 ? 423 TYR B OH 1 ATOM 5705 N N . VAL B 1 343 ? -16.564 -7.791 -24.097 1.00 13.04 ? 424 VAL B N 1 ATOM 5706 C CA . VAL B 1 343 ? -15.315 -8.402 -24.544 1.00 13.04 ? 424 VAL B CA 1 ATOM 5707 C C . VAL B 1 343 ? -14.355 -8.462 -23.364 1.00 12.91 ? 424 VAL B C 1 ATOM 5708 O O . VAL B 1 343 ? -14.110 -7.455 -22.698 1.00 13.18 ? 424 VAL B O 1 ATOM 5709 C CB . VAL B 1 343 ? -14.650 -7.613 -25.690 1.00 13.26 ? 424 VAL B CB 1 ATOM 5710 C CG1 . VAL B 1 343 ? -13.426 -8.362 -26.220 1.00 13.29 ? 424 VAL B CG1 1 ATOM 5711 C CG2 . VAL B 1 343 ? -15.647 -7.390 -26.816 1.00 13.47 ? 424 VAL B CG2 1 ATOM 5712 N N . GLU B 1 344 ? -13.837 -9.655 -23.111 1.00 12.84 ? 425 GLU B N 1 ATOM 5713 C CA . GLU B 1 344 ? -12.781 -9.883 -22.137 1.00 12.67 ? 425 GLU B CA 1 ATOM 5714 C C . GLU B 1 344 ? -11.439 -9.475 -22.743 1.00 12.77 ? 425 GLU B C 1 ATOM 5715 O O . GLU B 1 344 ? -11.089 -9.906 -23.843 1.00 12.88 ? 425 GLU B O 1 ATOM 5716 C CB . GLU B 1 344 ? -12.750 -11.363 -21.775 1.00 12.64 ? 425 GLU B CB 1 ATOM 5717 C CG . GLU B 1 344 ? -11.633 -11.779 -20.835 1.00 12.55 ? 425 GLU B CG 1 ATOM 5718 C CD . GLU B 1 344 ? -11.499 -13.282 -20.700 1.00 12.49 ? 425 GLU B CD 1 ATOM 5719 O OE1 . GLU B 1 344 ? -11.626 -14.008 -21.711 1.00 12.39 ? 425 GLU B OE1 1 ATOM 5720 O OE2 . GLU B 1 344 ? -11.233 -13.737 -19.570 1.00 12.82 ? 425 GLU B OE2 1 ATOM 5721 N N . LEU B 1 345 ? -10.686 -8.671 -22.009 1.00 12.63 ? 426 LEU B N 1 ATOM 5722 C CA . LEU B 1 345 ? -9.402 -8.152 -22.479 1.00 12.70 ? 426 LEU B CA 1 ATOM 5723 C C . LEU B 1 345 ? -8.310 -8.755 -21.611 1.00 12.68 ? 426 LEU B C 1 ATOM 5724 O O . LEU B 1 345 ? -8.030 -8.255 -20.523 1.00 12.72 ? 426 LEU B O 1 ATOM 5725 C CB . LEU B 1 345 ? -9.407 -6.624 -22.400 1.00 12.75 ? 426 LEU B CB 1 ATOM 5726 C CG . LEU B 1 345 ? -10.629 -5.976 -23.062 1.00 12.66 ? 426 LEU B CG 1 ATOM 5727 C CD1 . LEU B 1 345 ? -10.674 -4.486 -22.778 1.00 12.79 ? 426 LEU B CD1 1 ATOM 5728 C CD2 . LEU B 1 345 ? -10.658 -6.234 -24.557 1.00 12.86 ? 426 LEU B CD2 1 ATOM 5729 N N . ILE B 1 346 ? -7.724 -9.851 -22.092 1.00 12.59 ? 427 ILE B N 1 ATOM 5730 C CA . ILE B 1 346 ? -6.815 -10.664 -21.294 1.00 12.79 ? 427 ILE B CA 1 ATOM 5731 C C . ILE B 1 346 ? -5.415 -10.058 -21.338 1.00 12.97 ? 427 ILE B C 1 ATOM 5732 O O . ILE B 1 346 ? -4.900 -9.768 -22.418 1.00 13.05 ? 427 ILE B O 1 ATOM 5733 C CB . ILE B 1 346 ? -6.715 -12.121 -21.804 1.00 12.81 ? 427 ILE B CB 1 ATOM 5734 C CG1 . ILE B 1 346 ? -8.083 -12.805 -21.832 1.00 12.82 ? 427 ILE B CG1 1 ATOM 5735 C CG2 . ILE B 1 346 ? -5.762 -12.925 -20.918 1.00 12.96 ? 427 ILE B CG2 1 ATOM 5736 C CD1 . ILE B 1 346 ? -8.085 -14.130 -22.573 1.00 12.94 ? 427 ILE B CD1 1 ATOM 5737 N N . ARG B 1 347 ? -4.820 -9.878 -20.165 1.00 13.12 ? 428 ARG B N 1 ATOM 5738 C CA . ARG B 1 347 ? -3.457 -9.381 -20.043 1.00 13.62 ? 428 ARG B CA 1 ATOM 5739 C C . ARG B 1 347 ? -2.596 -10.370 -19.253 1.00 14.23 ? 428 ARG B C 1 ATOM 5740 O O . ARG B 1 347 ? -3.099 -11.128 -18.417 1.00 14.25 ? 428 ARG B O 1 ATOM 5741 C CB . ARG B 1 347 ? -3.453 -8.025 -19.340 1.00 13.49 ? 428 ARG B CB 1 ATOM 5742 C CG . ARG B 1 347 ? -4.243 -6.934 -20.050 1.00 13.25 ? 428 ARG B CG 1 ATOM 5743 C CD . ARG B 1 347 ? -3.789 -6.708 -21.481 1.00 13.41 ? 428 ARG B CD 1 ATOM 5744 N NE . ARG B 1 347 ? -2.365 -6.363 -21.583 1.00 13.70 ? 428 ARG B NE 1 ATOM 5745 C CZ . ARG B 1 347 ? -1.872 -5.124 -21.579 1.00 13.81 ? 428 ARG B CZ 1 ATOM 5746 N NH1 . ARG B 1 347 ? -2.663 -4.059 -21.436 1.00 13.67 ? 428 ARG B NH1 1 ATOM 5747 N NH2 . ARG B 1 347 ? -0.560 -4.944 -21.707 1.00 14.21 ? 428 ARG B NH2 1 ATOM 5748 N N . GLY B 1 348 ? -1.297 -10.341 -19.511 1.00 14.99 ? 429 GLY B N 1 ATOM 5749 C CA . GLY B 1 348 ? -0.360 -11.200 -18.809 1.00 15.68 ? 429 GLY B CA 1 ATOM 5750 C C . GLY B 1 348 ? -0.118 -12.474 -19.588 1.00 16.52 ? 429 GLY B C 1 ATOM 5751 O O . GLY B 1 348 ? -0.134 -12.480 -20.825 1.00 16.33 ? 429 GLY B O 1 ATOM 5752 N N . ARG B 1 349 ? 0.114 -13.562 -18.866 1.00 17.61 ? 430 ARG B N 1 ATOM 5753 C CA . ARG B 1 349 ? 0.558 -14.798 -19.507 1.00 19.02 ? 430 ARG B CA 1 ATOM 5754 C C . ARG B 1 349 ? -0.618 -15.518 -20.174 1.00 19.04 ? 430 ARG B C 1 ATOM 5755 O O . ARG B 1 349 ? -1.770 -15.357 -19.755 1.00 19.46 ? 430 ARG B O 1 ATOM 5756 C CB . ARG B 1 349 ? 1.324 -15.675 -18.501 1.00 19.90 ? 430 ARG B CB 1 ATOM 5757 C CG . ARG B 1 349 ? 2.693 -15.085 -18.168 1.00 20.89 ? 430 ARG B CG 1 ATOM 5758 C CD . ARG B 1 349 ? 3.614 -16.017 -17.392 1.00 21.84 ? 430 ARG B CD 1 ATOM 5759 N NE . ARG B 1 349 ? 4.946 -15.422 -17.245 1.00 22.77 ? 430 ARG B NE 1 ATOM 5760 C CZ . ARG B 1 349 ? 6.093 -16.095 -17.133 1.00 23.86 ? 430 ARG B CZ 1 ATOM 5761 N NH1 . ARG B 1 349 ? 6.115 -17.424 -17.150 1.00 24.79 ? 430 ARG B NH1 1 ATOM 5762 N NH2 . ARG B 1 349 ? 7.236 -15.430 -17.010 1.00 23.87 ? 430 ARG B NH2 1 ATOM 5763 N N . PRO B 1 350 ? -0.346 -16.292 -21.239 1.00 19.66 ? 431 PRO B N 1 ATOM 5764 C CA . PRO B 1 350 ? 0.964 -16.616 -21.807 1.00 20.15 ? 431 PRO B CA 1 ATOM 5765 C C . PRO B 1 350 ? 1.549 -15.583 -22.778 1.00 20.00 ? 431 PRO B C 1 ATOM 5766 O O . PRO B 1 350 ? 2.723 -15.689 -23.129 1.00 20.30 ? 431 PRO B O 1 ATOM 5767 C CB . PRO B 1 350 ? 0.689 -17.924 -22.549 1.00 20.34 ? 431 PRO B CB 1 ATOM 5768 C CG . PRO B 1 350 ? -0.716 -17.782 -23.012 1.00 20.31 ? 431 PRO B CG 1 ATOM 5769 C CD . PRO B 1 350 ? -1.429 -17.029 -21.919 1.00 19.71 ? 431 PRO B CD 1 ATOM 5770 N N . GLN B 1 351 ? 0.759 -14.603 -23.211 1.00 19.76 ? 432 GLN B N 1 ATOM 5771 C CA . GLN B 1 351 ? 1.202 -13.694 -24.276 1.00 19.91 ? 432 GLN B CA 1 ATOM 5772 C C . GLN B 1 351 ? 2.222 -12.667 -23.806 1.00 19.31 ? 432 GLN B C 1 ATOM 5773 O O . GLN B 1 351 ? 3.076 -12.249 -24.585 1.00 19.12 ? 432 GLN B O 1 ATOM 5774 C CB . GLN B 1 351 ? 0.011 -12.971 -24.919 1.00 20.51 ? 432 GLN B CB 1 ATOM 5775 C CG . GLN B 1 351 ? -0.969 -13.878 -25.656 1.00 21.37 ? 432 GLN B CG 1 ATOM 5776 C CD . GLN B 1 351 ? -0.382 -14.570 -26.881 1.00 22.78 ? 432 GLN B CD 1 ATOM 5777 O OE1 . GLN B 1 351 ? 0.709 -14.234 -27.356 1.00 23.69 ? 432 GLN B OE1 1 ATOM 5778 N NE2 . GLN B 1 351 ? -1.118 -15.548 -27.406 1.00 23.84 ? 432 GLN B NE2 1 ATOM 5779 N N . GLU B 1 352 ? 2.131 -12.262 -22.541 1.00 18.46 ? 433 GLU B N 1 ATOM 5780 C CA . GLU B 1 352 ? 2.972 -11.195 -21.991 1.00 18.23 ? 433 GLU B CA 1 ATOM 5781 C C . GLU B 1 352 ? 3.725 -11.712 -20.772 1.00 18.28 ? 433 GLU B C 1 ATOM 5782 O O . GLU B 1 352 ? 3.195 -11.733 -19.662 1.00 18.39 ? 433 GLU B O 1 ATOM 5783 C CB . GLU B 1 352 ? 2.103 -9.984 -21.629 1.00 17.95 ? 433 GLU B CB 1 ATOM 5784 C CG . GLU B 1 352 ? 1.275 -9.479 -22.802 1.00 17.88 ? 433 GLU B CG 1 ATOM 5785 C CD . GLU B 1 352 ? 0.343 -8.346 -22.427 1.00 17.57 ? 433 GLU B CD 1 ATOM 5786 O OE1 . GLU B 1 352 ? 0.603 -7.199 -22.847 1.00 17.64 ? 433 GLU B OE1 1 ATOM 5787 O OE2 . GLU B 1 352 ? -0.657 -8.601 -21.716 1.00 17.26 ? 433 GLU B OE2 1 ATOM 5788 N N . THR B 1 353 ? 4.975 -12.116 -20.980 1.00 18.23 ? 434 THR B N 1 ATOM 5789 C CA . THR B 1 353 ? 5.711 -12.870 -19.970 1.00 18.42 ? 434 THR B CA 1 ATOM 5790 C C . THR B 1 353 ? 6.551 -12.040 -18.999 1.00 18.58 ? 434 THR B C 1 ATOM 5791 O O . THR B 1 353 ? 7.228 -12.605 -18.137 1.00 18.33 ? 434 THR B O 1 ATOM 5792 C CB . THR B 1 353 ? 6.619 -13.906 -20.645 1.00 18.88 ? 434 THR B CB 1 ATOM 5793 O OG1 . THR B 1 353 ? 7.531 -13.235 -21.519 1.00 19.15 ? 434 THR B OG1 1 ATOM 5794 C CG2 . THR B 1 353 ? 5.778 -14.886 -21.443 1.00 18.80 ? 434 THR B CG2 1 ATOM 5795 N N . ARG B 1 354 ? 6.516 -10.714 -19.120 1.00 18.50 ? 435 ARG B N 1 ATOM 5796 C CA . ARG B 1 354 ? 7.141 -9.856 -18.113 1.00 18.74 ? 435 ARG B CA 1 ATOM 5797 C C . ARG B 1 354 ? 6.537 -10.137 -16.737 1.00 18.43 ? 435 ARG B C 1 ATOM 5798 O O . ARG B 1 354 ? 7.243 -10.150 -15.730 1.00 18.58 ? 435 ARG B O 1 ATOM 5799 C CB . ARG B 1 354 ? 6.972 -8.369 -18.450 1.00 18.96 ? 435 ARG B CB 1 ATOM 5800 C CG . ARG B 1 354 ? 7.571 -7.471 -17.380 1.00 19.40 ? 435 ARG B CG 1 ATOM 5801 C CD . ARG B 1 354 ? 7.605 -5.992 -17.717 1.00 19.48 ? 435 ARG B CD 1 ATOM 5802 N NE . ARG B 1 354 ? 8.207 -5.300 -16.581 1.00 19.52 ? 435 ARG B NE 1 ATOM 5803 C CZ . ARG B 1 354 ? 7.566 -4.981 -15.453 1.00 19.67 ? 435 ARG B CZ 1 ATOM 5804 N NH1 . ARG B 1 354 ? 6.262 -5.216 -15.305 1.00 19.18 ? 435 ARG B NH1 1 ATOM 5805 N NH2 . ARG B 1 354 ? 8.232 -4.398 -14.465 1.00 19.87 ? 435 ARG B NH2 1 ATOM 5806 N N . VAL B 1 355 ? 5.224 -10.350 -16.716 1.00 17.87 ? 436 VAL B N 1 ATOM 5807 C CA . VAL B 1 355 ? 4.489 -10.643 -15.490 1.00 17.63 ? 436 VAL B CA 1 ATOM 5808 C C . VAL B 1 355 ? 4.192 -12.135 -15.388 1.00 18.03 ? 436 VAL B C 1 ATOM 5809 O O . VAL B 1 355 ? 4.200 -12.844 -16.390 1.00 18.11 ? 436 VAL B O 1 ATOM 5810 C CB . VAL B 1 355 ? 3.172 -9.841 -15.430 1.00 17.11 ? 436 VAL B CB 1 ATOM 5811 C CG1 . VAL B 1 355 ? 3.458 -8.357 -15.617 1.00 17.01 ? 436 VAL B CG1 1 ATOM 5812 C CG2 . VAL B 1 355 ? 2.163 -10.351 -16.459 1.00 16.77 ? 436 VAL B CG2 1 ATOM 5813 N N . TRP B 1 356 ? 3.916 -12.603 -14.174 1.00 18.38 ? 437 TRP B N 1 ATOM 5814 C CA . TRP B 1 356 ? 3.667 -14.020 -13.933 1.00 18.83 ? 437 TRP B CA 1 ATOM 5815 C C . TRP B 1 356 ? 2.177 -14.359 -13.803 1.00 17.44 ? 437 TRP B C 1 ATOM 5816 O O . TRP B 1 356 ? 1.804 -15.521 -13.818 1.00 17.37 ? 437 TRP B O 1 ATOM 5817 C CB . TRP B 1 356 ? 4.432 -14.472 -12.691 1.00 20.46 ? 437 TRP B CB 1 ATOM 5818 C CG . TRP B 1 356 ? 5.919 -14.385 -12.872 1.00 22.62 ? 437 TRP B CG 1 ATOM 5819 C CD1 . TRP B 1 356 ? 6.703 -13.271 -12.724 1.00 23.77 ? 437 TRP B CD1 1 ATOM 5820 C CD2 . TRP B 1 356 ? 6.800 -15.448 -13.248 1.00 24.45 ? 437 TRP B CD2 1 ATOM 5821 N NE1 . TRP B 1 356 ? 8.021 -13.582 -12.977 1.00 24.90 ? 437 TRP B NE1 1 ATOM 5822 C CE2 . TRP B 1 356 ? 8.108 -14.910 -13.305 1.00 25.38 ? 437 TRP B CE2 1 ATOM 5823 C CE3 . TRP B 1 356 ? 6.615 -16.803 -13.543 1.00 25.30 ? 437 TRP B CE3 1 ATOM 5824 C CZ2 . TRP B 1 356 ? 9.226 -15.685 -13.639 1.00 26.39 ? 437 TRP B CZ2 1 ATOM 5825 C CZ3 . TRP B 1 356 ? 7.728 -17.573 -13.873 1.00 26.26 ? 437 TRP B CZ3 1 ATOM 5826 C CH2 . TRP B 1 356 ? 9.015 -17.009 -13.921 1.00 26.63 ? 437 TRP B CH2 1 ATOM 5827 N N . TRP B 1 357 ? 1.340 -13.334 -13.717 1.00 16.06 ? 438 TRP B N 1 ATOM 5828 C CA . TRP B 1 357 ? -0.111 -13.501 -13.594 1.00 15.27 ? 438 TRP B CA 1 ATOM 5829 C C . TRP B 1 357 ? -0.829 -13.470 -14.948 1.00 14.92 ? 438 TRP B C 1 ATOM 5830 O O . TRP B 1 357 ? -0.240 -13.128 -15.982 1.00 14.89 ? 438 TRP B O 1 ATOM 5831 C CB . TRP B 1 357 ? -0.686 -12.415 -12.664 1.00 14.70 ? 438 TRP B CB 1 ATOM 5832 C CG . TRP B 1 357 ? -0.212 -11.016 -12.962 1.00 14.51 ? 438 TRP B CG 1 ATOM 5833 C CD1 . TRP B 1 357 ? 0.768 -10.320 -12.302 1.00 14.77 ? 438 TRP B CD1 1 ATOM 5834 C CD2 . TRP B 1 357 ? -0.690 -10.146 -13.996 1.00 14.24 ? 438 TRP B CD2 1 ATOM 5835 N NE1 . TRP B 1 357 ? 0.926 -9.075 -12.864 1.00 14.67 ? 438 TRP B NE1 1 ATOM 5836 C CE2 . TRP B 1 357 ? 0.047 -8.944 -13.906 1.00 14.31 ? 438 TRP B CE2 1 ATOM 5837 C CE3 . TRP B 1 357 ? -1.666 -10.267 -14.994 1.00 13.77 ? 438 TRP B CE3 1 ATOM 5838 C CZ2 . TRP B 1 357 ? -0.169 -7.866 -14.773 1.00 14.20 ? 438 TRP B CZ2 1 ATOM 5839 C CZ3 . TRP B 1 357 ? -1.875 -9.198 -15.859 1.00 13.78 ? 438 TRP B CZ3 1 ATOM 5840 C CH2 . TRP B 1 357 ? -1.123 -8.013 -15.744 1.00 13.83 ? 438 TRP B CH2 1 ATOM 5841 N N . THR B 1 358 ? -2.099 -13.859 -14.918 1.00 14.63 ? 439 THR B N 1 ATOM 5842 C CA . THR B 1 358 ? -3.027 -13.714 -16.035 1.00 14.49 ? 439 THR B CA 1 ATOM 5843 C C . THR B 1 358 ? -4.306 -13.121 -15.463 1.00 14.06 ? 439 THR B C 1 ATOM 5844 O O . THR B 1 358 ? -4.844 -13.638 -14.493 1.00 13.64 ? 439 THR B O 1 ATOM 5845 C CB . THR B 1 358 ? -3.386 -15.071 -16.665 1.00 14.91 ? 439 THR B CB 1 ATOM 5846 O OG1 . THR B 1 358 ? -2.206 -15.710 -17.161 1.00 15.55 ? 439 THR B OG1 1 ATOM 5847 C CG2 . THR B 1 358 ? -4.382 -14.906 -17.797 1.00 14.80 ? 439 THR B CG2 1 ATOM 5848 N N . SER B 1 359 ? -4.791 -12.043 -16.062 1.00 13.87 ? 440 SER B N 1 ATOM 5849 C CA . SER B 1 359 ? -6.020 -11.408 -15.601 1.00 13.67 ? 440 SER B CA 1 ATOM 5850 C C . SER B 1 359 ? -6.718 -10.742 -16.778 1.00 13.74 ? 440 SER B C 1 ATOM 5851 O O . SER B 1 359 ? -6.309 -10.922 -17.926 1.00 14.13 ? 440 SER B O 1 ATOM 5852 C CB . SER B 1 359 ? -5.724 -10.399 -14.484 1.00 13.61 ? 440 SER B CB 1 ATOM 5853 O OG . SER B 1 359 ? -6.926 -10.039 -13.815 1.00 13.36 ? 440 SER B OG 1 ATOM 5854 N N . ASN B 1 360 ? -7.779 -9.993 -16.509 1.00 13.53 ? 441 ASN B N 1 ATOM 5855 C CA . ASN B 1 360 ? -8.485 -9.308 -17.582 1.00 13.37 ? 441 ASN B CA 1 ATOM 5856 C C . ASN B 1 360 ? -9.216 -8.069 -17.115 1.00 13.20 ? 441 ASN B C 1 ATOM 5857 O O . ASN B 1 360 ? -9.526 -7.929 -15.928 1.00 12.84 ? 441 ASN B O 1 ATOM 5858 C CB . ASN B 1 360 ? -9.510 -10.242 -18.216 1.00 13.47 ? 441 ASN B CB 1 ATOM 5859 C CG . ASN B 1 360 ? -10.747 -10.395 -17.354 1.00 13.46 ? 441 ASN B CG 1 ATOM 5860 O OD1 . ASN B 1 360 ? -10.738 -11.155 -16.391 1.00 13.92 ? 441 ASN B OD1 1 ATOM 5861 N ND2 . ASN B 1 360 ? -11.791 -9.618 -17.649 1.00 13.41 ? 441 ASN B ND2 1 ATOM 5862 N N . SER B 1 361 ? -9.500 -7.185 -18.069 1.00 13.08 ? 442 SER B N 1 ATOM 5863 C CA . SER B 1 361 ? -10.488 -6.134 -17.883 1.00 13.20 ? 442 SER B CA 1 ATOM 5864 C C . SER B 1 361 ? -11.609 -6.405 -18.878 1.00 13.27 ? 442 SER B C 1 ATOM 5865 O O . SER B 1 361 ? -11.559 -7.398 -19.614 1.00 13.16 ? 442 SER B O 1 ATOM 5866 C CB . SER B 1 361 ? -9.872 -4.744 -18.078 1.00 13.04 ? 442 SER B CB 1 ATOM 5867 O OG . SER B 1 361 ? -9.560 -4.478 -19.433 1.00 12.67 ? 442 SER B OG 1 ATOM 5868 N N . ILE B 1 362 ? -12.626 -5.549 -18.898 1.00 13.96 ? 443 ILE B N 1 ATOM 5869 C CA . ILE B 1 362 ? -13.724 -5.704 -19.848 1.00 14.15 ? 443 ILE B CA 1 ATOM 5870 C C . ILE B 1 362 ? -14.075 -4.393 -20.526 1.00 13.87 ? 443 ILE B C 1 ATOM 5871 O O . ILE B 1 362 ? -13.814 -3.306 -19.994 1.00 13.25 ? 443 ILE B O 1 ATOM 5872 C CB . ILE B 1 362 ? -15.012 -6.285 -19.197 1.00 14.90 ? 443 ILE B CB 1 ATOM 5873 C CG1 . ILE B 1 362 ? -15.636 -5.319 -18.184 1.00 15.35 ? 443 ILE B CG1 1 ATOM 5874 C CG2 . ILE B 1 362 ? -14.706 -7.619 -18.526 1.00 15.32 ? 443 ILE B CG2 1 ATOM 5875 C CD1 . ILE B 1 362 ? -17.005 -5.763 -17.688 1.00 15.75 ? 443 ILE B CD1 1 ATOM 5876 N N . VAL B 1 363 ? -14.662 -4.524 -21.709 1.00 13.54 ? 444 VAL B N 1 ATOM 5877 C CA . VAL B 1 363 ? -15.347 -3.426 -22.378 1.00 13.47 ? 444 VAL B CA 1 ATOM 5878 C C . VAL B 1 363 ? -16.697 -3.965 -22.853 1.00 13.37 ? 444 VAL B C 1 ATOM 5879 O O . VAL B 1 363 ? -16.822 -5.150 -23.163 1.00 13.42 ? 444 VAL B O 1 ATOM 5880 C CB . VAL B 1 363 ? -14.498 -2.815 -23.522 1.00 13.61 ? 444 VAL B CB 1 ATOM 5881 C CG1 . VAL B 1 363 ? -14.256 -3.811 -24.649 1.00 13.74 ? 444 VAL B CG1 1 ATOM 5882 C CG2 . VAL B 1 363 ? -15.143 -1.530 -24.037 1.00 13.75 ? 444 VAL B CG2 1 ATOM 5883 N N . VAL B 1 364 ? -17.703 -3.095 -22.881 1.00 13.12 ? 445 VAL B N 1 ATOM 5884 C CA . VAL B 1 364 ? -19.098 -3.508 -23.067 1.00 13.03 ? 445 VAL B CA 1 ATOM 5885 C C . VAL B 1 364 ? -19.791 -2.524 -24.002 1.00 13.04 ? 445 VAL B C 1 ATOM 5886 O O . VAL B 1 364 ? -19.694 -1.311 -23.811 1.00 12.82 ? 445 VAL B O 1 ATOM 5887 C CB . VAL B 1 364 ? -19.857 -3.556 -21.724 1.00 12.91 ? 445 VAL B CB 1 ATOM 5888 C CG1 . VAL B 1 364 ? -21.257 -4.139 -21.907 1.00 13.09 ? 445 VAL B CG1 1 ATOM 5889 C CG2 . VAL B 1 364 ? -19.087 -4.376 -20.698 1.00 12.86 ? 445 VAL B CG2 1 ATOM 5890 N N . PHE B 1 365 ? -20.468 -3.064 -25.015 1.00 13.25 ? 446 PHE B N 1 ATOM 5891 C CA . PHE B 1 365 ? -21.224 -2.291 -25.998 1.00 13.64 ? 446 PHE B CA 1 ATOM 5892 C C . PHE B 1 365 ? -22.662 -2.792 -26.048 1.00 13.95 ? 446 PHE B C 1 ATOM 5893 O O . PHE B 1 365 ? -22.921 -3.963 -25.779 1.00 13.83 ? 446 PHE B O 1 ATOM 5894 C CB . PHE B 1 365 ? -20.596 -2.438 -27.396 1.00 13.76 ? 446 PHE B CB 1 ATOM 5895 C CG . PHE B 1 365 ? -19.485 -1.458 -27.675 1.00 13.85 ? 446 PHE B CG 1 ATOM 5896 C CD1 . PHE B 1 365 ? -18.325 -1.476 -26.925 1.00 13.79 ? 446 PHE B CD1 1 ATOM 5897 C CD2 . PHE B 1 365 ? -19.608 -0.516 -28.698 1.00 14.08 ? 446 PHE B CD2 1 ATOM 5898 C CE1 . PHE B 1 365 ? -17.309 -0.567 -27.165 1.00 13.86 ? 446 PHE B CE1 1 ATOM 5899 C CE2 . PHE B 1 365 ? -18.603 0.398 -28.941 1.00 14.08 ? 446 PHE B CE2 1 ATOM 5900 C CZ . PHE B 1 365 ? -17.447 0.367 -28.183 1.00 14.12 ? 446 PHE B CZ 1 ATOM 5901 N N . CYS B 1 366 ? -23.586 -1.897 -26.388 1.00 14.49 ? 447 CYS B N 1 ATOM 5902 C CA . CYS B 1 366 ? -24.997 -2.246 -26.556 1.00 14.77 ? 447 CYS B CA 1 ATOM 5903 C C . CYS B 1 366 ? -25.530 -1.842 -27.927 1.00 14.76 ? 447 CYS B C 1 ATOM 5904 O O . CYS B 1 366 ? -25.103 -0.840 -28.513 1.00 14.67 ? 447 CYS B O 1 ATOM 5905 C CB . CYS B 1 366 ? -25.840 -1.591 -25.463 1.00 15.50 ? 447 CYS B CB 1 ATOM 5906 S SG . CYS B 1 366 ? -25.765 -2.499 -23.907 1.00 16.18 ? 447 CYS B SG 1 ATOM 5907 N N . GLY B 1 367 ? -26.469 -2.633 -28.429 1.00 14.55 ? 448 GLY B N 1 ATOM 5908 C CA . GLY B 1 367 ? -27.131 -2.335 -29.687 1.00 14.93 ? 448 GLY B CA 1 ATOM 5909 C C . GLY B 1 367 ? -27.786 -0.968 -29.650 1.00 15.03 ? 448 GLY B C 1 ATOM 5910 O O . GLY B 1 367 ? -28.254 -0.521 -28.605 1.00 14.92 ? 448 GLY B O 1 ATOM 5911 N N . THR B 1 368 ? -27.794 -0.303 -30.799 1.00 15.50 ? 449 THR B N 1 ATOM 5912 C CA . THR B 1 368 ? -28.399 1.010 -30.938 1.00 15.82 ? 449 THR B CA 1 ATOM 5913 C C . THR B 1 368 ? -29.155 1.075 -32.259 1.00 16.63 ? 449 THR B C 1 ATOM 5914 O O . THR B 1 368 ? -28.757 0.447 -33.243 1.00 16.58 ? 449 THR B O 1 ATOM 5915 C CB . THR B 1 368 ? -27.341 2.137 -30.878 1.00 15.66 ? 449 THR B CB 1 ATOM 5916 O OG1 . THR B 1 368 ? -27.983 3.407 -30.995 1.00 15.82 ? 449 THR B OG1 1 ATOM 5917 C CG2 . THR B 1 368 ? -26.301 2.005 -31.989 1.00 15.53 ? 449 THR B CG2 1 ATOM 5918 N N . SER B 1 369 ? -30.255 1.822 -32.262 1.00 17.44 ? 450 SER B N 1 ATOM 5919 C CA . SER B 1 369 ? -30.969 2.137 -33.493 1.00 18.08 ? 450 SER B CA 1 ATOM 5920 C C . SER B 1 369 ? -30.536 3.506 -34.018 1.00 18.28 ? 450 SER B C 1 ATOM 5921 O O . SER B 1 369 ? -31.052 3.978 -35.032 1.00 18.80 ? 450 SER B O 1 ATOM 5922 C CB . SER B 1 369 ? -32.474 2.134 -33.244 1.00 18.68 ? 450 SER B CB 1 ATOM 5923 O OG . SER B 1 369 ? -32.797 3.025 -32.201 1.00 19.37 ? 450 SER B OG 1 ATOM 5924 N N . GLY B 1 370 ? -29.592 4.144 -33.328 1.00 17.70 ? 451 GLY B N 1 ATOM 5925 C CA . GLY B 1 370 ? -29.106 5.464 -33.722 1.00 17.68 ? 451 GLY B CA 1 ATOM 5926 C C . GLY B 1 370 ? -27.855 5.398 -34.571 1.00 17.38 ? 451 GLY B C 1 ATOM 5927 O O . GLY B 1 370 ? -27.662 4.458 -35.344 1.00 17.62 ? 451 GLY B O 1 ATOM 5928 N N . THR B 1 371 ? -27.007 6.411 -34.438 1.00 17.12 ? 452 THR B N 1 ATOM 5929 C CA . THR B 1 371 ? -25.756 6.464 -35.185 1.00 16.69 ? 452 THR B CA 1 ATOM 5930 C C . THR B 1 371 ? -24.567 6.515 -34.231 1.00 16.11 ? 452 THR B C 1 ATOM 5931 O O . THR B 1 371 ? -24.729 6.639 -33.018 1.00 16.03 ? 452 THR B O 1 ATOM 5932 C CB . THR B 1 371 ? -25.728 7.655 -36.156 1.00 16.98 ? 452 THR B CB 1 ATOM 5933 O OG1 . THR B 1 371 ? -25.943 8.873 -35.436 1.00 16.98 ? 452 THR B OG1 1 ATOM 5934 C CG2 . THR B 1 371 ? -26.807 7.499 -37.227 1.00 17.36 ? 452 THR B CG2 1 ATOM 5935 N N . TYR B 1 372 ? -23.375 6.394 -34.797 1.00 15.70 ? 453 TYR B N 1 ATOM 5936 C CA . TYR B 1 372 ? -22.154 6.229 -34.023 1.00 15.29 ? 453 TYR B CA 1 ATOM 5937 C C . TYR B 1 372 ? -20.955 6.485 -34.927 1.00 15.23 ? 453 TYR B C 1 ATOM 5938 O O . TYR B 1 372 ? -21.098 6.602 -36.147 1.00 15.27 ? 453 TYR B O 1 ATOM 5939 C CB . TYR B 1 372 ? -22.083 4.811 -33.433 1.00 14.96 ? 453 TYR B CB 1 ATOM 5940 C CG . TYR B 1 372 ? -22.325 3.723 -34.455 1.00 14.83 ? 453 TYR B CG 1 ATOM 5941 C CD1 . TYR B 1 372 ? -21.299 3.286 -35.291 1.00 14.75 ? 453 TYR B CD1 1 ATOM 5942 C CD2 . TYR B 1 372 ? -23.581 3.143 -34.600 1.00 14.84 ? 453 TYR B CD2 1 ATOM 5943 C CE1 . TYR B 1 372 ? -21.515 2.307 -36.244 1.00 14.84 ? 453 TYR B CE1 1 ATOM 5944 C CE2 . TYR B 1 372 ? -23.809 2.157 -35.544 1.00 14.97 ? 453 TYR B CE2 1 ATOM 5945 C CZ . TYR B 1 372 ? -22.779 1.746 -36.370 1.00 14.86 ? 453 TYR B CZ 1 ATOM 5946 O OH . TYR B 1 372 ? -22.999 0.771 -37.308 1.00 15.02 ? 453 TYR B OH 1 ATOM 5947 N N . GLY B 1 373 ? -19.774 6.547 -34.323 1.00 15.19 ? 454 GLY B N 1 ATOM 5948 C CA . GLY B 1 373 ? -18.539 6.785 -35.058 1.00 15.22 ? 454 GLY B CA 1 ATOM 5949 C C . GLY B 1 373 ? -17.595 5.600 -34.986 1.00 15.02 ? 454 GLY B C 1 ATOM 5950 O O . GLY B 1 373 ? -17.997 4.449 -35.184 1.00 15.15 ? 454 GLY B O 1 ATOM 5951 N N . THR B 1 374 ? -16.329 5.889 -34.709 1.00 15.09 ? 455 THR B N 1 ATOM 5952 C CA . THR B 1 374 ? -15.297 4.868 -34.650 1.00 15.06 ? 455 THR B CA 1 ATOM 5953 C C . THR B 1 374 ? -14.422 5.073 -33.429 1.00 14.90 ? 455 THR B C 1 ATOM 5954 O O . THR B 1 374 ? -14.369 6.162 -32.846 1.00 15.01 ? 455 THR B O 1 ATOM 5955 C CB . THR B 1 374 ? -14.378 4.893 -35.895 1.00 15.40 ? 455 THR B CB 1 ATOM 5956 O OG1 . THR B 1 374 ? -13.847 6.212 -36.082 1.00 15.67 ? 455 THR B OG1 1 ATOM 5957 C CG2 . THR B 1 374 ? -15.122 4.459 -37.142 1.00 15.60 ? 455 THR B CG2 1 ATOM 5958 N N . GLY B 1 375 ? -13.732 4.007 -33.050 1.00 14.72 ? 456 GLY B N 1 ATOM 5959 C CA . GLY B 1 375 ? -12.728 4.077 -32.008 1.00 14.66 ? 456 GLY B CA 1 ATOM 5960 C C . GLY B 1 375 ? -12.084 2.729 -31.749 1.00 14.38 ? 456 GLY B C 1 ATOM 5961 O O . GLY B 1 375 ? -12.204 1.791 -32.539 1.00 14.34 ? 456 GLY B O 1 ATOM 5962 N N . SER B 1 376 ? -11.371 2.659 -30.639 1.00 14.37 ? 457 SER B N 1 ATOM 5963 C CA . SER B 1 376 ? -10.775 1.424 -30.161 1.00 14.21 ? 457 SER B CA 1 ATOM 5964 C C . SER B 1 376 ? -10.633 1.557 -28.661 1.00 13.90 ? 457 SER B C 1 ATOM 5965 O O . SER B 1 376 ? -10.080 2.548 -28.180 1.00 14.12 ? 457 SER B O 1 ATOM 5966 C CB . SER B 1 376 ? -9.408 1.183 -30.799 1.00 14.51 ? 457 SER B CB 1 ATOM 5967 O OG . SER B 1 376 ? -8.806 0.020 -30.251 1.00 14.38 ? 457 SER B OG 1 ATOM 5968 N N . TRP B 1 377 ? -11.128 0.557 -27.934 1.00 13.62 ? 458 TRP B N 1 ATOM 5969 C CA . TRP B 1 377 ? -11.196 0.601 -26.473 1.00 13.43 ? 458 TRP B CA 1 ATOM 5970 C C . TRP B 1 377 ? -10.530 -0.639 -25.865 1.00 13.39 ? 458 TRP B C 1 ATOM 5971 O O . TRP B 1 377 ? -11.204 -1.534 -25.355 1.00 13.53 ? 458 TRP B O 1 ATOM 5972 C CB . TRP B 1 377 ? -12.658 0.702 -26.038 1.00 13.43 ? 458 TRP B CB 1 ATOM 5973 C CG . TRP B 1 377 ? -13.323 1.963 -26.504 1.00 13.35 ? 458 TRP B CG 1 ATOM 5974 C CD1 . TRP B 1 377 ? -13.446 3.133 -25.810 1.00 13.42 ? 458 TRP B CD1 1 ATOM 5975 C CD2 . TRP B 1 377 ? -13.963 2.180 -27.772 1.00 13.19 ? 458 TRP B CD2 1 ATOM 5976 N NE1 . TRP B 1 377 ? -14.126 4.065 -26.567 1.00 13.44 ? 458 TRP B NE1 1 ATOM 5977 C CE2 . TRP B 1 377 ? -14.454 3.503 -27.773 1.00 13.27 ? 458 TRP B CE2 1 ATOM 5978 C CE3 . TRP B 1 377 ? -14.162 1.386 -28.906 1.00 13.17 ? 458 TRP B CE3 1 ATOM 5979 C CZ2 . TRP B 1 377 ? -15.139 4.052 -28.867 1.00 13.36 ? 458 TRP B CZ2 1 ATOM 5980 C CZ3 . TRP B 1 377 ? -14.846 1.935 -30.000 1.00 13.20 ? 458 TRP B CZ3 1 ATOM 5981 C CH2 . TRP B 1 377 ? -15.325 3.252 -29.964 1.00 13.29 ? 458 TRP B CH2 1 ATOM 5982 N N . PRO B 1 378 ? -9.194 -0.693 -25.926 1.00 13.39 ? 459 PRO B N 1 ATOM 5983 C CA . PRO B 1 378 ? -8.450 -1.836 -25.422 1.00 13.46 ? 459 PRO B CA 1 ATOM 5984 C C . PRO B 1 378 ? -8.278 -1.764 -23.912 1.00 13.34 ? 459 PRO B C 1 ATOM 5985 O O . PRO B 1 378 ? -8.762 -0.830 -23.266 1.00 13.42 ? 459 PRO B O 1 ATOM 5986 C CB . PRO B 1 378 ? -7.099 -1.691 -26.124 1.00 13.56 ? 459 PRO B CB 1 ATOM 5987 C CG . PRO B 1 378 ? -6.919 -0.218 -26.224 1.00 13.73 ? 459 PRO B CG 1 ATOM 5988 C CD . PRO B 1 378 ? -8.295 0.351 -26.451 1.00 13.62 ? 459 PRO B CD 1 ATOM 5989 N N . ASP B 1 379 ? -7.586 -2.744 -23.349 1.00 13.52 ? 460 ASP B N 1 ATOM 5990 C CA . ASP B 1 379 ? -7.359 -2.767 -21.911 1.00 13.50 ? 460 ASP B CA 1 ATOM 5991 C C . ASP B 1 379 ? -6.672 -1.486 -21.429 1.00 13.72 ? 460 ASP B C 1 ATOM 5992 O O . ASP B 1 379 ? -7.120 -0.857 -20.471 1.00 13.63 ? 460 ASP B O 1 ATOM 5993 C CB . ASP B 1 379 ? -6.537 -3.985 -21.514 1.00 13.65 ? 460 ASP B CB 1 ATOM 5994 C CG . ASP B 1 379 ? -6.157 -3.952 -20.064 1.00 13.83 ? 460 ASP B CG 1 ATOM 5995 O OD1 . ASP B 1 379 ? -7.039 -4.187 -19.203 1.00 13.70 ? 460 ASP B OD1 1 ATOM 5996 O OD2 . ASP B 1 379 ? -4.986 -3.644 -19.790 1.00 14.13 ? 460 ASP B OD2 1 ATOM 5997 N N . GLY B 1 380 ? -5.586 -1.111 -22.099 1.00 13.91 ? 461 GLY B N 1 ATOM 5998 C CA . GLY B 1 380 ? -4.915 0.150 -21.828 1.00 14.11 ? 461 GLY B CA 1 ATOM 5999 C C . GLY B 1 380 ? -3.784 0.127 -20.816 1.00 14.21 ? 461 GLY B C 1 ATOM 6000 O O . GLY B 1 380 ? -3.105 1.140 -20.639 1.00 14.45 ? 461 GLY B O 1 ATOM 6001 N N . ALA B 1 381 ? -3.573 -0.996 -20.130 1.00 13.93 ? 462 ALA B N 1 ATOM 6002 C CA . ALA B 1 381 ? -2.446 -1.077 -19.199 1.00 14.13 ? 462 ALA B CA 1 ATOM 6003 C C . ALA B 1 381 ? -1.118 -1.173 -19.961 1.00 14.28 ? 462 ALA B C 1 ATOM 6004 O O . ALA B 1 381 ? -1.041 -1.783 -21.022 1.00 14.82 ? 462 ALA B O 1 ATOM 6005 C CB . ALA B 1 381 ? -2.604 -2.253 -18.255 1.00 13.95 ? 462 ALA B CB 1 ATOM 6006 N N . ASN B 1 382 ? -0.089 -0.533 -19.422 1.00 14.53 ? 463 ASN B N 1 ATOM 6007 C CA . ASN B 1 382 ? 1.282 -0.688 -19.877 1.00 14.82 ? 463 ASN B CA 1 ATOM 6008 C C . ASN B 1 382 ? 1.878 -1.838 -19.078 1.00 14.89 ? 463 ASN B C 1 ATOM 6009 O O . ASN B 1 382 ? 2.034 -1.744 -17.864 1.00 14.67 ? 463 ASN B O 1 ATOM 6010 C CB . ASN B 1 382 ? 2.058 0.621 -19.657 1.00 14.99 ? 463 ASN B CB 1 ATOM 6011 C CG . ASN B 1 382 ? 3.501 0.546 -20.130 1.00 15.56 ? 463 ASN B CG 1 ATOM 6012 O OD1 . ASN B 1 382 ? 4.074 -0.534 -20.252 1.00 15.35 ? 463 ASN B OD1 1 ATOM 6013 N ND2 . ASN B 1 382 ? 4.101 1.707 -20.379 1.00 15.83 ? 463 ASN B ND2 1 ATOM 6014 N N . ILE B 1 383 ? 2.198 -2.930 -19.764 1.00 15.43 ? 464 ILE B N 1 ATOM 6015 C CA . ILE B 1 383 ? 2.720 -4.121 -19.103 1.00 15.83 ? 464 ILE B CA 1 ATOM 6016 C C . ILE B 1 383 ? 3.973 -3.816 -18.275 1.00 16.53 ? 464 ILE B C 1 ATOM 6017 O O . ILE B 1 383 ? 4.204 -4.449 -17.248 1.00 16.66 ? 464 ILE B O 1 ATOM 6018 C CB . ILE B 1 383 ? 2.991 -5.260 -20.121 1.00 15.99 ? 464 ILE B CB 1 ATOM 6019 C CG1 . ILE B 1 383 ? 3.026 -6.621 -19.411 1.00 15.99 ? 464 ILE B CG1 1 ATOM 6020 C CG2 . ILE B 1 383 ? 4.267 -5.004 -20.917 1.00 16.38 ? 464 ILE B CG2 1 ATOM 6021 C CD1 . ILE B 1 383 ? 1.680 -7.078 -18.886 1.00 15.71 ? 464 ILE B CD1 1 ATOM 6022 N N . ASN B 1 384 ? 4.765 -2.837 -18.714 1.00 17.16 ? 465 ASN B N 1 ATOM 6023 C CA . ASN B 1 384 ? 5.994 -2.463 -18.014 1.00 18.26 ? 465 ASN B CA 1 ATOM 6024 C C . ASN B 1 384 ? 5.767 -1.709 -16.709 1.00 18.29 ? 465 ASN B C 1 ATOM 6025 O O . ASN B 1 384 ? 6.690 -1.576 -15.914 1.00 18.55 ? 465 ASN B O 1 ATOM 6026 C CB . ASN B 1 384 ? 6.889 -1.630 -18.929 1.00 19.46 ? 465 ASN B CB 1 ATOM 6027 C CG . ASN B 1 384 ? 7.351 -2.408 -20.139 1.00 20.76 ? 465 ASN B CG 1 ATOM 6028 O OD1 . ASN B 1 384 ? 7.684 -3.582 -20.038 1.00 21.67 ? 465 ASN B OD1 1 ATOM 6029 N ND2 . ASN B 1 384 ? 7.365 -1.761 -21.287 1.00 22.26 ? 465 ASN B ND2 1 ATOM 6030 N N . PHE B 1 385 ? 4.551 -1.200 -16.510 1.00 17.89 ? 466 PHE B N 1 ATOM 6031 C CA . PHE B 1 385 ? 4.180 -0.514 -15.276 1.00 18.01 ? 466 PHE B CA 1 ATOM 6032 C C . PHE B 1 385 ? 3.575 -1.454 -14.237 1.00 18.07 ? 466 PHE B C 1 ATOM 6033 O O . PHE B 1 385 ? 3.281 -1.023 -13.128 1.00 18.63 ? 466 PHE B O 1 ATOM 6034 C CB . PHE B 1 385 ? 3.137 0.580 -15.557 1.00 17.79 ? 466 PHE B CB 1 ATOM 6035 C CG . PHE B 1 385 ? 3.651 1.764 -16.325 1.00 18.09 ? 466 PHE B CG 1 ATOM 6036 C CD1 . PHE B 1 385 ? 5.012 1.953 -16.580 1.00 18.64 ? 466 PHE B CD1 1 ATOM 6037 C CD2 . PHE B 1 385 ? 2.756 2.739 -16.752 1.00 18.11 ? 466 PHE B CD2 1 ATOM 6038 C CE1 . PHE B 1 385 ? 5.454 3.071 -17.272 1.00 18.93 ? 466 PHE B CE1 1 ATOM 6039 C CE2 . PHE B 1 385 ? 3.192 3.852 -17.446 1.00 18.50 ? 466 PHE B CE2 1 ATOM 6040 C CZ . PHE B 1 385 ? 4.545 4.022 -17.703 1.00 18.83 ? 466 PHE B CZ 1 ATOM 6041 N N . MET B 1 386 ? 3.353 -2.715 -14.590 1.00 18.02 ? 467 MET B N 1 ATOM 6042 C CA . MET B 1 386 ? 2.624 -3.623 -13.709 1.00 17.91 ? 467 MET B CA 1 ATOM 6043 C C . MET B 1 386 ? 3.539 -4.291 -12.694 1.00 18.81 ? 467 MET B C 1 ATOM 6044 O O . MET B 1 386 ? 4.689 -4.597 -13.006 1.00 19.46 ? 467 MET B O 1 ATOM 6045 C CB . MET B 1 386 ? 1.933 -4.718 -14.519 1.00 17.15 ? 467 MET B CB 1 ATOM 6046 C CG . MET B 1 386 ? 0.956 -4.217 -15.566 1.00 16.75 ? 467 MET B CG 1 ATOM 6047 S SD . MET B 1 386 ? -0.363 -3.172 -14.916 1.00 16.14 ? 467 MET B SD 1 ATOM 6048 C CE . MET B 1 386 ? -1.171 -4.287 -13.762 1.00 16.22 ? 467 MET B CE 1 ATOM 6049 N N . PRO B 1 387 ? 3.021 -4.541 -11.478 1.00 19.56 ? 468 PRO B N 1 ATOM 6050 C CA . PRO B 1 387 ? 3.675 -5.500 -10.596 1.00 20.21 ? 468 PRO B CA 1 ATOM 6051 C C . PRO B 1 387 ? 3.767 -6.844 -11.318 1.00 20.53 ? 468 PRO B C 1 ATOM 6052 O O . PRO B 1 387 ? 2.852 -7.203 -12.059 1.00 20.00 ? 468 PRO B O 1 ATOM 6053 C CB . PRO B 1 387 ? 2.719 -5.608 -9.395 1.00 20.33 ? 468 PRO B CB 1 ATOM 6054 C CG . PRO B 1 387 ? 1.769 -4.467 -9.506 1.00 20.10 ? 468 PRO B CG 1 ATOM 6055 C CD . PRO B 1 387 ? 1.716 -4.096 -10.955 1.00 19.89 ? 468 PRO B CD 1 ATOM 6056 N N . ILE B 1 388 ? 4.861 -7.572 -11.136 1.00 21.40 ? 469 ILE B N 1 ATOM 6057 C CA . ILE B 1 388 ? 5.040 -8.826 -11.874 1.00 22.03 ? 469 ILE B CA 1 ATOM 6058 C C . ILE B 1 388 ? 4.389 -10.007 -11.151 1.00 21.79 ? 469 ILE B C 1 ATOM 6059 O O . ILE B 1 388 ? 4.138 -9.933 -9.953 1.00 22.12 ? 469 ILE B O 1 ATOM 6060 C CB . ILE B 1 388 ? 6.523 -9.104 -12.182 1.00 22.85 ? 469 ILE B CB 1 ATOM 6061 C CG1 . ILE B 1 388 ? 7.351 -9.278 -10.906 1.00 23.46 ? 469 ILE B CG1 1 ATOM 6062 C CG2 . ILE B 1 388 ? 7.090 -7.970 -13.022 1.00 23.07 ? 469 ILE B CG2 1 ATOM 6063 C CD1 . ILE B 1 388 ? 8.749 -9.791 -11.181 1.00 24.17 ? 469 ILE B CD1 1 ATOM 6064 O OXT . ILE B 1 388 ? 4.094 -11.045 -11.741 1.00 20.64 ? 469 ILE B OXT 1 HETATM 6065 CA CA . CA C 2 . ? -13.160 33.106 -24.402 1.00 15.62 ? 501 CA A CA 1 HETATM 6066 C C1 . NAG D 3 . ? 6.637 9.958 -17.052 1.00 36.83 ? 502 NAG A C1 1 HETATM 6067 C C2 . NAG D 3 . ? 7.828 9.473 -16.227 1.00 38.54 ? 502 NAG A C2 1 HETATM 6068 C C3 . NAG D 3 . ? 9.105 10.169 -16.682 1.00 40.35 ? 502 NAG A C3 1 HETATM 6069 C C4 . NAG D 3 . ? 9.292 10.007 -18.184 1.00 41.14 ? 502 NAG A C4 1 HETATM 6070 C C5 . NAG D 3 . ? 8.028 10.477 -18.898 1.00 40.72 ? 502 NAG A C5 1 HETATM 6071 C C6 . NAG D 3 . ? 8.107 10.282 -20.407 1.00 41.90 ? 502 NAG A C6 1 HETATM 6072 C C7 . NAG D 3 . ? 7.754 8.859 -13.841 1.00 38.14 ? 502 NAG A C7 1 HETATM 6073 C C8 . NAG D 3 . ? 7.488 9.375 -12.460 1.00 37.63 ? 502 NAG A C8 1 HETATM 6074 N N2 . NAG D 3 . ? 7.610 9.752 -14.820 1.00 37.74 ? 502 NAG A N2 1 HETATM 6075 O O3 . NAG D 3 . ? 10.214 9.654 -15.980 1.00 41.78 ? 502 NAG A O3 1 HETATM 6076 O O4 . NAG D 3 . ? 10.398 10.770 -18.609 1.00 41.16 ? 502 NAG A O4 1 HETATM 6077 O O5 . NAG D 3 . ? 6.918 9.747 -18.420 1.00 39.09 ? 502 NAG A O5 1 HETATM 6078 O O6 . NAG D 3 . ? 8.275 8.909 -20.687 1.00 44.08 ? 502 NAG A O6 1 HETATM 6079 O O7 . NAG D 3 . ? 8.083 7.682 -14.007 1.00 38.91 ? 502 NAG A O7 1 HETATM 6080 C C1 . NAG E 3 . ? -17.183 7.128 -38.999 1.00 19.68 ? 503 NAG A C1 1 HETATM 6081 C C2 . NAG E 3 . ? -16.365 6.551 -40.164 1.00 20.92 ? 503 NAG A C2 1 HETATM 6082 C C3 . NAG E 3 . ? -17.261 5.796 -41.136 1.00 20.32 ? 503 NAG A C3 1 HETATM 6083 C C4 . NAG E 3 . ? -18.051 4.739 -40.378 1.00 19.65 ? 503 NAG A C4 1 HETATM 6084 C C5 . NAG E 3 . ? -18.777 5.381 -39.195 1.00 19.23 ? 503 NAG A C5 1 HETATM 6085 C C6 . NAG E 3 . ? -19.533 4.353 -38.360 1.00 18.85 ? 503 NAG A C6 1 HETATM 6086 C C7 . NAG E 3 . ? -14.334 7.836 -40.541 1.00 25.26 ? 503 NAG A C7 1 HETATM 6087 C C8 . NAG E 3 . ? -13.647 8.849 -41.410 1.00 26.23 ? 503 NAG A C8 1 HETATM 6088 N N2 . NAG E 3 . ? -15.579 7.529 -40.905 1.00 22.98 ? 503 NAG A N2 1 HETATM 6089 O O3 . NAG E 3 . ? -16.464 5.191 -42.134 1.00 20.09 ? 503 NAG A O3 1 HETATM 6090 O O4 . NAG E 3 . ? -18.976 4.157 -41.280 1.00 19.75 ? 503 NAG A O4 1 HETATM 6091 O O5 . NAG E 3 . ? -17.856 6.063 -38.358 1.00 19.19 ? 503 NAG A O5 1 HETATM 6092 O O6 . NAG E 3 . ? -18.624 3.456 -37.760 1.00 18.54 ? 503 NAG A O6 1 HETATM 6093 O O7 . NAG E 3 . ? -13.783 7.356 -39.528 1.00 26.53 ? 503 NAG A O7 1 HETATM 6094 C C1 . NAG F 3 . ? -18.794 2.739 -41.404 1.00 19.89 ? 504 NAG A C1 1 HETATM 6095 C C2 . NAG F 3 . ? -20.076 2.165 -41.988 1.00 20.09 ? 504 NAG A C2 1 HETATM 6096 C C3 . NAG F 3 . ? -19.947 0.673 -42.234 1.00 20.21 ? 504 NAG A C3 1 HETATM 6097 C C4 . NAG F 3 . ? -18.705 0.337 -43.035 1.00 20.30 ? 504 NAG A C4 1 HETATM 6098 C C5 . NAG F 3 . ? -17.493 1.014 -42.384 1.00 20.13 ? 504 NAG A C5 1 HETATM 6099 C C6 . NAG F 3 . ? -16.219 0.811 -43.193 1.00 20.36 ? 504 NAG A C6 1 HETATM 6100 C C7 . NAG F 3 . ? -22.231 3.146 -41.409 1.00 20.61 ? 504 NAG A C7 1 HETATM 6101 C C8 . NAG F 3 . ? -23.360 3.211 -40.424 1.00 20.67 ? 504 NAG A C8 1 HETATM 6102 N N2 . NAG F 3 . ? -21.217 2.340 -41.110 1.00 20.00 ? 504 NAG A N2 1 HETATM 6103 O O3 . NAG F 3 . ? -21.102 0.180 -42.878 1.00 20.25 ? 504 NAG A O3 1 HETATM 6104 O O4 . NAG F 3 . ? -18.584 -1.065 -42.968 1.00 20.59 ? 504 NAG A O4 1 HETATM 6105 O O5 . NAG F 3 . ? -17.700 2.405 -42.233 1.00 20.23 ? 504 NAG A O5 1 HETATM 6106 O O6 . NAG F 3 . ? -16.406 1.368 -44.476 1.00 20.34 ? 504 NAG A O6 1 HETATM 6107 O O7 . NAG F 3 . ? -22.257 3.828 -42.432 1.00 21.07 ? 504 NAG A O7 1 HETATM 6108 C C1 . BMA G 4 . ? -18.211 -1.631 -44.228 1.00 21.17 ? 505 BMA A C1 1 HETATM 6109 C C2 . BMA G 4 . ? -17.471 -2.934 -43.982 1.00 21.17 ? 505 BMA A C2 1 HETATM 6110 C C3 . BMA G 4 . ? -16.989 -3.461 -45.330 1.00 21.88 ? 505 BMA A C3 1 HETATM 6111 C C4 . BMA G 4 . ? -18.159 -3.614 -46.275 1.00 22.10 ? 505 BMA A C4 1 HETATM 6112 C C5 . BMA G 4 . ? -18.970 -2.326 -46.342 1.00 22.02 ? 505 BMA A C5 1 HETATM 6113 C C6 . BMA G 4 . ? -20.261 -2.533 -47.112 1.00 22.28 ? 505 BMA A C6 1 HETATM 6114 O O2 . BMA G 4 . ? -18.319 -3.875 -43.349 1.00 20.48 ? 505 BMA A O2 1 HETATM 6115 O O3 . BMA G 4 . ? -16.441 -4.741 -45.188 1.00 22.15 ? 505 BMA A O3 1 HETATM 6116 O O4 . BMA G 4 . ? -17.660 -3.967 -47.551 1.00 22.63 ? 505 BMA A O4 1 HETATM 6117 O O5 . BMA G 4 . ? -19.329 -1.870 -45.051 1.00 21.50 ? 505 BMA A O5 1 HETATM 6118 O O6 . BMA G 4 . ? -20.738 -1.254 -47.470 1.00 23.30 ? 505 BMA A O6 1 HETATM 6119 C C1 . MAN H 5 . ? -15.075 -4.884 -45.553 1.00 23.17 ? 506 MAN A C1 1 HETATM 6120 C C2 . MAN H 5 . ? -14.556 -6.280 -45.764 1.00 23.57 ? 506 MAN A C2 1 HETATM 6121 C C3 . MAN H 5 . ? -13.974 -6.585 -44.394 1.00 23.27 ? 506 MAN A C3 1 HETATM 6122 C C4 . MAN H 5 . ? -13.008 -5.476 -43.958 1.00 23.07 ? 506 MAN A C4 1 HETATM 6123 C C5 . MAN H 5 . ? -13.639 -4.079 -44.088 1.00 22.79 ? 506 MAN A C5 1 HETATM 6124 C C6 . MAN H 5 . ? -12.706 -2.929 -43.706 1.00 22.67 ? 506 MAN A C6 1 HETATM 6125 O O2 . MAN H 5 . ? -13.550 -6.331 -46.752 1.00 24.34 ? 506 MAN A O2 1 HETATM 6126 O O3 . MAN H 5 . ? -13.385 -7.869 -44.358 1.00 24.11 ? 506 MAN A O3 1 HETATM 6127 O O4 . MAN H 5 . ? -12.641 -5.699 -42.613 1.00 23.07 ? 506 MAN A O4 1 HETATM 6128 O O5 . MAN H 5 . ? -14.118 -3.884 -45.408 1.00 22.93 ? 506 MAN A O5 1 HETATM 6129 O O6 . MAN H 5 . ? -13.456 -1.732 -43.717 1.00 22.59 ? 506 MAN A O6 1 HETATM 6130 C C1 . G39 I 6 . ? -9.716 22.916 -21.060 1.00 26.98 ? 507 G39 A C1 1 HETATM 6131 O O1A . G39 I 6 . ? -9.693 24.088 -21.534 1.00 25.59 ? 507 G39 A O1A 1 HETATM 6132 O O1B . G39 I 6 . ? -9.157 22.670 -19.957 1.00 25.34 ? 507 G39 A O1B 1 HETATM 6133 C C2 . G39 I 6 . ? -10.389 21.894 -21.747 1.00 26.89 ? 507 G39 A C2 1 HETATM 6134 C C3 . G39 I 6 . ? -10.422 20.595 -21.201 1.00 26.81 ? 507 G39 A C3 1 HETATM 6135 C C4 . G39 I 6 . ? -11.539 19.734 -21.801 1.00 26.48 ? 507 G39 A C4 1 HETATM 6136 C C5 . G39 I 6 . ? -11.533 19.850 -23.329 1.00 26.72 ? 507 G39 A C5 1 HETATM 6137 N N5 . G39 I 6 . ? -12.648 19.046 -23.872 1.00 25.39 ? 507 G39 A N5 1 HETATM 6138 C C10 . G39 I 6 . ? -12.483 17.955 -24.638 1.00 24.69 ? 507 G39 A C10 1 HETATM 6139 O O10 . G39 I 6 . ? -11.402 17.480 -24.967 1.00 23.94 ? 507 G39 A O10 1 HETATM 6140 C C11 . G39 I 6 . ? -13.785 17.287 -25.069 1.00 24.38 ? 507 G39 A C11 1 HETATM 6141 C C6 . G39 I 6 . ? -11.794 21.301 -23.694 1.00 27.29 ? 507 G39 A C6 1 HETATM 6142 C C7 . G39 I 6 . ? -11.019 22.205 -22.957 1.00 27.45 ? 507 G39 A C7 1 HETATM 6143 O O7 . G39 I 6 . ? -11.594 21.557 -25.097 1.00 28.10 ? 507 G39 A O7 1 HETATM 6144 C C8 . G39 I 6 . ? -12.800 21.906 -25.809 1.00 29.76 ? 507 G39 A C8 1 HETATM 6145 C C9 . G39 I 6 . ? -13.406 23.222 -25.303 1.00 30.12 ? 507 G39 A C9 1 HETATM 6146 C C81 . G39 I 6 . ? -12.483 21.958 -27.319 1.00 30.20 ? 507 G39 A C81 1 HETATM 6147 C C82 . G39 I 6 . ? -12.303 20.510 -27.736 1.00 30.16 ? 507 G39 A C82 1 HETATM 6148 C C91 . G39 I 6 . ? -12.492 24.366 -25.751 1.00 30.42 ? 507 G39 A C91 1 HETATM 6149 N N4 . G39 I 6 . ? -11.428 18.333 -21.357 1.00 26.12 ? 507 G39 A N4 1 HETATM 6150 CA CA . CA J 2 . ? -13.194 -24.394 -33.055 1.00 14.84 ? 501 CA B CA 1 HETATM 6151 C C1 . NAG K 3 . ? 6.612 -17.121 -9.770 1.00 31.22 ? 502 NAG B C1 1 HETATM 6152 C C2 . NAG K 3 . ? 7.820 -16.310 -9.307 1.00 32.48 ? 502 NAG B C2 1 HETATM 6153 C C3 . NAG K 3 . ? 9.095 -16.820 -9.970 1.00 34.28 ? 502 NAG B C3 1 HETATM 6154 C C4 . NAG K 3 . ? 9.236 -18.326 -9.802 1.00 35.04 ? 502 NAG B C4 1 HETATM 6155 C C5 . NAG K 3 . ? 7.943 -19.009 -10.240 1.00 34.70 ? 502 NAG B C5 1 HETATM 6156 C C6 . NAG K 3 . ? 7.987 -20.519 -10.038 1.00 35.55 ? 502 NAG B C6 1 HETATM 6157 C C7 . NAG K 3 . ? 7.714 -13.903 -8.770 1.00 32.54 ? 502 NAG B C7 1 HETATM 6158 C C8 . NAG K 3 . ? 7.522 -12.526 -9.336 1.00 32.38 ? 502 NAG B C8 1 HETATM 6159 N N2 . NAG K 3 . ? 7.653 -14.907 -9.645 1.00 32.07 ? 502 NAG B N2 1 HETATM 6160 O O3 . NAG K 3 . ? 10.218 -16.152 -9.432 1.00 34.62 ? 502 NAG B O3 1 HETATM 6161 O O4 . NAG K 3 . ? 10.307 -18.793 -10.595 1.00 35.80 ? 502 NAG B O4 1 HETATM 6162 O O5 . NAG K 3 . ? 6.854 -18.487 -9.501 1.00 32.98 ? 502 NAG B O5 1 HETATM 6163 O O6 . NAG K 3 . ? 8.282 -20.792 -8.685 1.00 37.36 ? 502 NAG B O6 1 HETATM 6164 O O7 . NAG K 3 . ? 7.917 -14.044 -7.566 1.00 32.74 ? 502 NAG B O7 1 HETATM 6165 C C1 . NAG L 3 . ? -17.396 -38.982 -7.180 1.00 20.92 ? 503 NAG B C1 1 HETATM 6166 C C2 . NAG L 3 . ? -16.636 -40.218 -6.696 1.00 22.36 ? 503 NAG B C2 1 HETATM 6167 C C3 . NAG L 3 . ? -17.519 -41.148 -5.865 1.00 22.16 ? 503 NAG B C3 1 HETATM 6168 C C4 . NAG L 3 . ? -18.267 -40.367 -4.789 1.00 21.27 ? 503 NAG B C4 1 HETATM 6169 C C5 . NAG L 3 . ? -18.973 -39.161 -5.409 1.00 20.69 ? 503 NAG B C5 1 HETATM 6170 C C6 . NAG L 3 . ? -19.678 -38.310 -4.356 1.00 20.05 ? 503 NAG B C6 1 HETATM 6171 C C7 . NAG L 3 . ? -14.899 -41.513 -7.840 1.00 25.78 ? 503 NAG B C7 1 HETATM 6172 C C8 . NAG L 3 . ? -14.459 -42.206 -9.098 1.00 26.75 ? 503 NAG B C8 1 HETATM 6173 N N2 . NAG L 3 . ? -16.092 -40.925 -7.849 1.00 24.03 ? 503 NAG B N2 1 HETATM 6174 O O3 . NAG L 3 . ? -16.714 -42.128 -5.251 1.00 22.55 ? 503 NAG B O3 1 HETATM 6175 O O4 . NAG L 3 . ? -19.222 -41.232 -4.195 1.00 21.28 ? 503 NAG B O4 1 HETATM 6176 O O5 . NAG L 3 . ? -18.040 -38.346 -6.100 1.00 20.41 ? 503 NAG B O5 1 HETATM 6177 O O6 . NAG L 3 . ? -18.743 -37.710 -3.493 1.00 19.78 ? 503 NAG B O6 1 HETATM 6178 O O7 . NAG L 3 . ? -14.169 -41.527 -6.853 1.00 27.86 ? 503 NAG B O7 1 HETATM 6179 C C1 . NAG M 3 . ? -19.044 -41.347 -2.776 1.00 21.09 ? 504 NAG B C1 1 HETATM 6180 C C2 . NAG M 3 . ? -20.313 -41.950 -2.187 1.00 21.28 ? 504 NAG B C2 1 HETATM 6181 C C3 . NAG M 3 . ? -20.159 -42.189 -0.695 1.00 21.37 ? 504 NAG B C3 1 HETATM 6182 C C4 . NAG M 3 . ? -18.911 -42.987 -0.375 1.00 21.57 ? 504 NAG B C4 1 HETATM 6183 C C5 . NAG M 3 . ? -17.714 -42.338 -1.068 1.00 21.33 ? 504 NAG B C5 1 HETATM 6184 C C6 . NAG M 3 . ? -16.448 -43.167 -0.882 1.00 21.66 ? 504 NAG B C6 1 HETATM 6185 C C7 . NAG M 3 . ? -22.464 -41.332 -3.161 1.00 21.69 ? 504 NAG B C7 1 HETATM 6186 C C8 . NAG M 3 . ? -23.580 -40.327 -3.204 1.00 21.66 ? 504 NAG B C8 1 HETATM 6187 N N2 . NAG M 3 . ? -21.450 -41.063 -2.343 1.00 21.16 ? 504 NAG B N2 1 HETATM 6188 O O3 . NAG M 3 . ? -21.319 -42.809 -0.189 1.00 21.13 ? 504 NAG B O3 1 HETATM 6189 O O4 . NAG M 3 . ? -18.737 -42.926 1.026 1.00 21.85 ? 504 NAG B O4 1 HETATM 6190 O O5 . NAG M 3 . ? -17.949 -42.178 -2.458 1.00 21.41 ? 504 NAG B O5 1 HETATM 6191 O O6 . NAG M 3 . ? -16.666 -44.449 -1.421 1.00 21.72 ? 504 NAG B O6 1 HETATM 6192 O O7 . NAG M 3 . ? -22.502 -42.336 -3.873 1.00 22.29 ? 504 NAG B O7 1 HETATM 6193 C C1 . BMA N 4 . ? -18.418 -44.203 1.591 1.00 22.51 ? 505 BMA B C1 1 HETATM 6194 C C2 . BMA N 4 . ? -17.699 -43.963 2.910 1.00 22.72 ? 505 BMA B C2 1 HETATM 6195 C C3 . BMA N 4 . ? -17.250 -45.315 3.450 1.00 23.49 ? 505 BMA B C3 1 HETATM 6196 C C4 . BMA N 4 . ? -18.447 -46.238 3.570 1.00 23.77 ? 505 BMA B C4 1 HETATM 6197 C C5 . BMA N 4 . ? -19.213 -46.317 2.253 1.00 23.47 ? 505 BMA B C5 1 HETATM 6198 C C6 . BMA N 4 . ? -20.491 -47.119 2.430 1.00 23.62 ? 505 BMA B C6 1 HETATM 6199 O O2 . BMA N 4 . ? -18.563 -43.305 3.820 1.00 21.83 ? 505 BMA B O2 1 HETATM 6200 O O3 . BMA N 4 . ? -16.711 -45.185 4.742 1.00 24.35 ? 505 BMA B O3 1 HETATM 6201 O O4 . BMA N 4 . ? -17.978 -47.507 3.967 1.00 24.21 ? 505 BMA B O4 1 HETATM 6202 O O5 . BMA N 4 . ? -19.558 -45.017 1.806 1.00 22.72 ? 505 BMA B O5 1 HETATM 6203 O O6 . BMA N 4 . ? -20.926 -47.518 1.152 1.00 24.18 ? 505 BMA B O6 1 HETATM 6204 C C1 . MAN O 5 . ? -15.326 -45.508 4.874 1.00 25.02 ? 506 MAN B C1 1 HETATM 6205 C C2 . MAN O 5 . ? -14.771 -45.670 6.265 1.00 25.36 ? 506 MAN B C2 1 HETATM 6206 C C3 . MAN O 5 . ? -14.146 -44.304 6.516 1.00 25.03 ? 506 MAN B C3 1 HETATM 6207 C C4 . MAN O 5 . ? -13.193 -43.928 5.371 1.00 24.89 ? 506 MAN B C4 1 HETATM 6208 C C5 . MAN O 5 . ? -13.843 -44.112 3.990 1.00 24.87 ? 506 MAN B C5 1 HETATM 6209 C C6 . MAN O 5 . ? -12.910 -43.821 2.821 1.00 24.90 ? 506 MAN B C6 1 HETATM 6210 O O2 . MAN O 5 . ? -13.778 -46.670 6.331 1.00 26.13 ? 506 MAN B O2 1 HETATM 6211 O O3 . MAN O 5 . ? -13.525 -44.255 7.783 1.00 25.27 ? 506 MAN B O3 1 HETATM 6212 O O4 . MAN O 5 . ? -12.821 -42.577 5.532 1.00 24.43 ? 506 MAN B O4 1 HETATM 6213 O O5 . MAN O 5 . ? -14.383 -45.417 3.848 1.00 25.17 ? 506 MAN B O5 1 HETATM 6214 O O6 . MAN O 5 . ? -13.715 -43.634 1.673 1.00 24.65 ? 506 MAN B O6 1 HETATM 6215 C C1 . G39 P 6 . ? -9.767 -21.074 -22.798 1.00 29.25 ? 507 G39 B C1 1 HETATM 6216 O O1A . G39 P 6 . ? -9.729 -21.544 -23.973 1.00 27.34 ? 507 G39 B O1A 1 HETATM 6217 O O1B . G39 P 6 . ? -9.210 -19.980 -22.518 1.00 26.61 ? 507 G39 B O1B 1 HETATM 6218 C C2 . G39 P 6 . ? -10.458 -21.763 -21.800 1.00 30.06 ? 507 G39 B C2 1 HETATM 6219 C C3 . G39 P 6 . ? -10.512 -21.222 -20.503 1.00 30.26 ? 507 G39 B C3 1 HETATM 6220 C C4 . G39 P 6 . ? -11.652 -21.819 -19.682 1.00 30.86 ? 507 G39 B C4 1 HETATM 6221 C C5 . G39 P 6 . ? -11.634 -23.346 -19.811 1.00 30.66 ? 507 G39 B C5 1 HETATM 6222 N N5 . G39 P 6 . ? -12.744 -23.926 -19.032 1.00 29.55 ? 507 G39 B N5 1 HETATM 6223 C C10 . G39 P 6 . ? -12.594 -24.670 -17.919 1.00 28.45 ? 507 G39 B C10 1 HETATM 6224 O O10 . G39 P 6 . ? -11.523 -24.955 -17.388 1.00 27.01 ? 507 G39 B O10 1 HETATM 6225 C C11 . G39 P 6 . ? -13.915 -25.136 -17.310 1.00 28.17 ? 507 G39 B C11 1 HETATM 6226 C C6 . G39 P 6 . ? -11.879 -23.698 -21.275 1.00 31.54 ? 507 G39 B C6 1 HETATM 6227 C C7 . G39 P 6 . ? -11.096 -22.957 -22.148 1.00 30.81 ? 507 G39 B C7 1 HETATM 6228 O O7 . G39 P 6 . ? -11.620 -25.079 -21.539 1.00 32.93 ? 507 G39 B O7 1 HETATM 6229 C C8 . G39 P 6 . ? -12.786 -25.881 -21.761 1.00 34.40 ? 507 G39 B C8 1 HETATM 6230 C C9 . G39 P 6 . ? -13.322 -25.639 -23.167 1.00 34.85 ? 507 G39 B C9 1 HETATM 6231 C C81 . G39 P 6 . ? -12.337 -27.335 -21.495 1.00 35.44 ? 507 G39 B C81 1 HETATM 6232 C C82 . G39 P 6 . ? -12.285 -27.452 -19.992 1.00 35.23 ? 507 G39 B C82 1 HETATM 6233 C C91 . G39 P 6 . ? -12.244 -26.104 -24.155 1.00 35.09 ? 507 G39 B C91 1 HETATM 6234 N N4 . G39 P 6 . ? -11.592 -21.361 -18.280 1.00 31.14 ? 507 G39 B N4 1 HETATM 6235 O O . HOH Q 7 . ? -11.595 6.371 -16.374 1.00 12.20 ? 601 HOH A O 1 HETATM 6236 O O . HOH Q 7 . ? -13.654 2.450 -9.092 1.00 13.70 ? 602 HOH A O 1 HETATM 6237 O O . HOH Q 7 . ? -13.297 32.915 -14.956 1.00 14.03 ? 603 HOH A O 1 HETATM 6238 O O . HOH Q 7 . ? -28.905 23.671 -12.822 1.00 14.69 ? 604 HOH A O 1 HETATM 6239 O O . HOH Q 7 . ? -16.156 13.705 -33.350 1.00 14.53 ? 605 HOH A O 1 HETATM 6240 O O . HOH Q 7 . ? -21.198 35.802 -3.468 1.00 14.19 ? 606 HOH A O 1 HETATM 6241 O O . HOH Q 7 . ? -11.580 34.503 -23.279 1.00 15.32 ? 607 HOH A O 1 HETATM 6242 O O . HOH Q 7 . ? -7.288 17.777 -1.823 1.00 13.29 ? 608 HOH A O 1 HETATM 6243 O O . HOH Q 7 . ? -6.491 24.800 -4.966 1.00 13.48 ? 609 HOH A O 1 HETATM 6244 O O . HOH Q 7 . ? -16.908 33.132 -22.792 1.00 14.67 ? 610 HOH A O 1 HETATM 6245 O O . HOH Q 7 . ? -19.370 27.661 -19.337 1.00 14.64 ? 611 HOH A O 1 HETATM 6246 O O . HOH Q 7 . ? -22.331 22.397 -23.877 1.00 13.34 ? 612 HOH A O 1 HETATM 6247 O O . HOH Q 7 . ? -17.691 15.661 -17.544 1.00 13.48 ? 613 HOH A O 1 HETATM 6248 O O . HOH Q 7 . ? -23.733 20.487 -12.674 1.00 13.43 ? 614 HOH A O 1 HETATM 6249 O O . HOH Q 7 . ? -13.248 7.594 -23.205 1.00 13.47 ? 615 HOH A O 1 HETATM 6250 O O . HOH Q 7 . ? -11.232 19.606 -2.205 1.00 13.25 ? 616 HOH A O 1 HETATM 6251 O O . HOH Q 7 . ? -24.995 28.953 -15.398 1.00 13.20 ? 617 HOH A O 1 HETATM 6252 O O . HOH Q 7 . ? -17.056 20.692 -15.201 1.00 15.13 ? 618 HOH A O 1 HETATM 6253 O O . HOH Q 7 . ? -28.285 -1.324 -22.092 1.00 15.29 ? 619 HOH A O 1 HETATM 6254 O O . HOH Q 7 . ? -6.937 14.479 -15.286 1.00 14.59 ? 620 HOH A O 1 HETATM 6255 O O . HOH Q 7 . ? -3.543 25.200 -5.198 1.00 16.75 ? 621 HOH A O 1 HETATM 6256 O O . HOH Q 7 . ? -20.575 39.463 -19.729 1.00 15.38 ? 622 HOH A O 1 HETATM 6257 O O . HOH Q 7 . ? -29.082 19.024 -9.363 1.00 14.02 ? 623 HOH A O 1 HETATM 6258 O O . HOH Q 7 . ? -17.061 38.367 1.481 1.00 16.75 ? 624 HOH A O 1 HETATM 6259 O O . HOH Q 7 . ? -19.416 33.829 -15.086 1.00 15.48 ? 625 HOH A O 1 HETATM 6260 O O . HOH Q 7 . ? -20.344 4.659 -7.101 1.00 15.69 ? 626 HOH A O 1 HETATM 6261 O O . HOH Q 7 . ? -37.229 26.651 -12.782 1.00 19.22 ? 627 HOH A O 1 HETATM 6262 O O . HOH Q 7 . ? -36.670 11.560 -19.636 1.00 17.42 ? 628 HOH A O 1 HETATM 6263 O O . HOH Q 7 . ? -16.896 1.516 -38.417 1.00 15.30 ? 629 HOH A O 1 HETATM 6264 O O . HOH Q 7 . ? -15.279 33.958 1.682 1.00 14.65 ? 630 HOH A O 1 HETATM 6265 O O . HOH Q 7 . ? -25.144 22.493 -16.060 1.00 17.60 ? 631 HOH A O 1 HETATM 6266 O O . HOH Q 7 . ? -19.575 37.112 -18.751 1.00 13.75 ? 632 HOH A O 1 HETATM 6267 O O . HOH Q 7 . ? -17.991 33.414 2.325 1.00 18.01 ? 633 HOH A O 1 HETATM 6268 O O . HOH Q 7 . ? -14.778 36.659 1.001 1.00 15.02 ? 634 HOH A O 1 HETATM 6269 O O . HOH Q 7 . ? -33.691 17.785 -14.177 1.00 17.11 ? 635 HOH A O 1 HETATM 6270 O O . HOH Q 7 . ? -14.360 28.327 -13.807 1.00 16.19 ? 636 HOH A O 1 HETATM 6271 O O . HOH Q 7 . ? -31.190 18.604 -13.697 1.00 14.76 ? 637 HOH A O 1 HETATM 6272 O O . HOH Q 7 . ? -30.265 -1.340 -24.036 1.00 15.22 ? 638 HOH A O 1 HETATM 6273 O O . HOH Q 7 . ? -11.687 41.320 -15.178 1.00 19.58 ? 639 HOH A O 1 HETATM 6274 O O . HOH Q 7 . ? -21.461 6.806 -3.279 1.00 15.46 ? 640 HOH A O 1 HETATM 6275 O O . HOH Q 7 . ? -10.238 10.622 -29.177 1.00 18.07 ? 641 HOH A O 1 HETATM 6276 O O . HOH Q 7 . ? -22.955 38.206 -32.543 1.00 17.43 ? 642 HOH A O 1 HETATM 6277 O O . HOH Q 7 . ? -17.297 16.870 -2.266 1.00 18.87 ? 643 HOH A O 1 HETATM 6278 O O . HOH Q 7 . ? -8.568 29.620 -18.935 1.00 19.72 ? 644 HOH A O 1 HETATM 6279 O O . HOH Q 7 . ? -3.092 4.484 -5.920 1.00 15.97 ? 645 HOH A O 1 HETATM 6280 O O . HOH Q 7 . ? -12.717 41.306 -21.177 1.00 17.30 ? 646 HOH A O 1 HETATM 6281 O O . HOH Q 7 . ? -20.989 0.913 -16.327 1.00 17.16 ? 647 HOH A O 1 HETATM 6282 O O . HOH Q 7 . ? -9.801 10.960 -35.182 1.00 18.41 ? 648 HOH A O 1 HETATM 6283 O O . HOH Q 7 . ? -27.141 -0.682 -15.810 1.00 21.81 ? 649 HOH A O 1 HETATM 6284 O O . HOH Q 7 . ? -8.814 16.701 -19.145 1.00 18.49 ? 650 HOH A O 1 HETATM 6285 O O . HOH Q 7 . ? -15.052 30.874 -14.351 1.00 15.70 ? 651 HOH A O 1 HETATM 6286 O O . HOH Q 7 . ? -23.699 37.489 5.201 1.00 19.54 ? 652 HOH A O 1 HETATM 6287 O O . HOH Q 7 . ? -6.726 -0.729 -2.737 1.00 19.29 ? 653 HOH A O 1 HETATM 6288 O O . HOH Q 7 . ? -3.822 7.209 -5.523 1.00 14.18 ? 654 HOH A O 1 HETATM 6289 O O . HOH Q 7 . ? -34.211 11.394 -20.978 1.00 16.99 ? 655 HOH A O 1 HETATM 6290 O O . HOH Q 7 . ? -6.634 16.188 -17.565 1.00 19.46 ? 656 HOH A O 1 HETATM 6291 O O . HOH Q 7 . ? -20.055 28.603 -33.556 1.00 19.15 ? 657 HOH A O 1 HETATM 6292 O O . HOH Q 7 . ? -25.576 12.539 -1.104 1.00 21.27 ? 658 HOH A O 1 HETATM 6293 O O . HOH Q 7 . ? -17.784 17.653 2.388 1.00 16.94 ? 659 HOH A O 1 HETATM 6294 O O . HOH Q 7 . ? -38.541 15.915 -15.793 1.00 20.39 ? 660 HOH A O 1 HETATM 6295 O O . HOH Q 7 . ? -28.845 21.218 -20.022 1.00 15.28 ? 661 HOH A O 1 HETATM 6296 O O . HOH Q 7 . ? -30.547 16.282 -12.120 1.00 15.65 ? 662 HOH A O 1 HETATM 6297 O O . HOH Q 7 . ? 2.832 10.057 -12.848 1.00 20.31 ? 663 HOH A O 1 HETATM 6298 O O . HOH Q 7 . ? -5.977 25.570 -12.346 1.00 16.48 ? 664 HOH A O 1 HETATM 6299 O O . HOH Q 7 . ? -21.123 16.398 0.833 1.00 19.25 ? 665 HOH A O 1 HETATM 6300 O O . HOH Q 7 . ? -23.754 26.457 -34.277 1.00 22.66 ? 666 HOH A O 1 HETATM 6301 O O . HOH Q 7 . ? -20.875 38.865 0.538 1.00 17.34 ? 667 HOH A O 1 HETATM 6302 O O . HOH Q 7 . ? -33.232 32.393 -13.117 1.00 21.94 ? 668 HOH A O 1 HETATM 6303 O O . HOH Q 7 . ? -20.976 22.119 -26.259 1.00 19.06 ? 669 HOH A O 1 HETATM 6304 O O . HOH Q 7 . ? 2.128 10.657 1.735 1.00 20.60 ? 670 HOH A O 1 HETATM 6305 O O . HOH Q 7 . ? -18.404 22.077 -25.367 1.00 18.59 ? 671 HOH A O 1 HETATM 6306 O O . HOH Q 7 . ? -14.377 41.949 -16.228 1.00 17.99 ? 672 HOH A O 1 HETATM 6307 O O . HOH Q 7 . ? -6.496 12.110 -7.923 1.00 18.69 ? 673 HOH A O 1 HETATM 6308 O O . HOH Q 7 . ? -20.556 36.130 -16.269 1.00 17.81 ? 674 HOH A O 1 HETATM 6309 O O . HOH Q 7 . ? -15.181 44.640 -9.913 1.00 24.64 ? 675 HOH A O 1 HETATM 6310 O O . HOH Q 7 . ? -32.354 17.164 -4.293 1.00 22.09 ? 676 HOH A O 1 HETATM 6311 O O . HOH Q 7 . ? 5.815 21.575 -8.968 1.00 23.02 ? 677 HOH A O 1 HETATM 6312 O O . HOH Q 7 . ? -15.070 -9.973 -44.661 1.00 22.04 ? 678 HOH A O 1 HETATM 6313 O O . HOH Q 7 . ? -19.872 42.685 -26.240 1.00 18.61 ? 679 HOH A O 1 HETATM 6314 O O . HOH Q 7 . ? -29.072 5.525 -16.093 1.00 20.10 ? 680 HOH A O 1 HETATM 6315 O O . HOH Q 7 . ? -11.595 7.457 -26.998 1.00 21.37 ? 681 HOH A O 1 HETATM 6316 O O . HOH Q 7 . ? -28.849 38.675 -29.313 1.00 24.95 ? 682 HOH A O 1 HETATM 6317 O O . HOH Q 7 . ? -33.850 18.722 -6.052 1.00 19.14 ? 683 HOH A O 1 HETATM 6318 O O . HOH Q 7 . ? -23.741 13.937 0.359 1.00 19.10 ? 684 HOH A O 1 HETATM 6319 O O . HOH Q 7 . ? -12.374 20.930 -31.956 1.00 22.90 ? 685 HOH A O 1 HETATM 6320 O O . HOH Q 7 . ? -21.288 0.858 -45.442 1.00 25.24 ? 686 HOH A O 1 HETATM 6321 O O . HOH Q 7 . ? -16.083 24.036 -37.245 1.00 19.55 ? 687 HOH A O 1 HETATM 6322 O O . HOH Q 7 . ? 2.892 24.235 -6.615 1.00 26.73 ? 688 HOH A O 1 HETATM 6323 O O . HOH Q 7 . ? -26.827 5.779 -13.217 1.00 24.38 ? 689 HOH A O 1 HETATM 6324 O O . HOH Q 7 . ? -14.412 -1.221 -41.069 1.00 22.94 ? 690 HOH A O 1 HETATM 6325 O O . HOH Q 7 . ? -17.729 31.172 -14.017 1.00 21.74 ? 691 HOH A O 1 HETATM 6326 O O . HOH Q 7 . ? -15.063 19.905 -22.735 1.00 24.01 ? 692 HOH A O 1 HETATM 6327 O O . HOH Q 7 . ? -4.804 24.539 -14.486 1.00 25.84 ? 693 HOH A O 1 HETATM 6328 O O . HOH Q 7 . ? -2.326 22.642 -13.762 1.00 21.54 ? 694 HOH A O 1 HETATM 6329 O O . HOH Q 7 . ? -4.633 2.746 -24.971 1.00 23.09 ? 695 HOH A O 1 HETATM 6330 O O . HOH Q 7 . ? -14.710 1.383 -40.083 1.00 23.95 ? 696 HOH A O 1 HETATM 6331 O O . HOH Q 7 . ? -9.748 3.142 -2.877 1.00 15.72 ? 697 HOH A O 1 HETATM 6332 O O . HOH Q 7 . ? -27.564 39.158 -19.891 1.00 20.61 ? 698 HOH A O 1 HETATM 6333 O O . HOH Q 7 . ? -2.112 -0.000 0.000 0.50 20.95 ? 699 HOH A O 1 HETATM 6334 O O . HOH Q 7 . ? -2.026 4.203 -2.100 1.00 27.25 ? 700 HOH A O 1 HETATM 6335 O O . HOH Q 7 . ? -12.190 12.229 -5.199 1.00 19.31 ? 701 HOH A O 1 HETATM 6336 O O . HOH Q 7 . ? -31.648 5.808 -12.922 1.00 21.53 ? 702 HOH A O 1 HETATM 6337 O O . HOH Q 7 . ? -14.581 11.335 -39.600 1.00 24.04 ? 703 HOH A O 1 HETATM 6338 O O . HOH Q 7 . ? -35.064 17.041 -34.919 1.00 22.82 ? 704 HOH A O 1 HETATM 6339 O O . HOH Q 7 . ? 1.693 22.646 -2.947 1.00 19.54 ? 705 HOH A O 1 HETATM 6340 O O . HOH Q 7 . ? -36.695 17.449 -7.273 1.00 23.72 ? 706 HOH A O 1 HETATM 6341 O O . HOH Q 7 . ? -10.738 39.312 -9.956 1.00 21.88 ? 707 HOH A O 1 HETATM 6342 O O . HOH Q 7 . ? -11.048 34.992 1.987 1.00 22.93 ? 708 HOH A O 1 HETATM 6343 O O . HOH Q 7 . ? -13.984 41.084 -7.992 1.00 22.40 ? 709 HOH A O 1 HETATM 6344 O O . HOH Q 7 . ? -31.411 20.956 -12.344 1.00 21.73 ? 710 HOH A O 1 HETATM 6345 O O . HOH Q 7 . ? -2.317 23.029 -10.960 1.00 23.19 ? 711 HOH A O 1 HETATM 6346 O O . HOH Q 7 . ? -34.328 37.971 -15.328 1.00 20.70 ? 712 HOH A O 1 HETATM 6347 O O . HOH Q 7 . ? 7.151 12.052 -3.750 1.00 25.55 ? 713 HOH A O 1 HETATM 6348 O O . HOH Q 7 . ? -31.082 46.127 -10.203 1.00 25.12 ? 714 HOH A O 1 HETATM 6349 O O . HOH Q 7 . ? -8.575 10.518 -32.273 1.00 22.73 ? 715 HOH A O 1 HETATM 6350 O O . HOH Q 7 . ? -9.934 38.741 -28.706 1.00 22.87 ? 716 HOH A O 1 HETATM 6351 O O . HOH Q 7 . ? -30.168 33.272 -35.485 1.00 32.39 ? 717 HOH A O 1 HETATM 6352 O O . HOH Q 7 . ? -20.320 26.907 -31.283 1.00 20.09 ? 718 HOH A O 1 HETATM 6353 O O . HOH Q 7 . ? -4.066 24.321 -1.900 1.00 24.81 ? 719 HOH A O 1 HETATM 6354 O O . HOH Q 7 . ? -34.235 42.933 -10.406 1.00 30.07 ? 720 HOH A O 1 HETATM 6355 O O . HOH Q 7 . ? -17.155 20.084 -24.270 1.00 22.05 ? 721 HOH A O 1 HETATM 6356 O O . HOH Q 7 . ? -1.175 6.982 -2.164 1.00 20.22 ? 722 HOH A O 1 HETATM 6357 O O . HOH Q 7 . ? -20.869 -1.519 -49.739 1.00 34.15 ? 723 HOH A O 1 HETATM 6358 O O . HOH Q 7 . ? -20.650 22.603 4.525 1.00 22.90 ? 724 HOH A O 1 HETATM 6359 O O . HOH Q 7 . ? -14.432 3.811 -41.493 1.00 24.50 ? 725 HOH A O 1 HETATM 6360 O O . HOH Q 7 . ? -37.190 30.838 -28.301 1.00 27.52 ? 726 HOH A O 1 HETATM 6361 O O . HOH Q 7 . ? -16.549 46.966 -10.333 1.00 27.87 ? 727 HOH A O 1 HETATM 6362 O O . HOH Q 7 . ? -22.422 29.011 -34.904 1.00 25.63 ? 728 HOH A O 1 HETATM 6363 O O . HOH Q 7 . ? -16.872 31.252 6.460 1.00 21.06 ? 729 HOH A O 1 HETATM 6364 O O . HOH Q 7 . ? -26.136 23.843 -35.761 1.00 26.35 ? 730 HOH A O 1 HETATM 6365 O O . HOH Q 7 . ? -40.153 26.638 -22.515 1.00 27.61 ? 731 HOH A O 1 HETATM 6366 O O . HOH Q 7 . ? -13.278 15.190 -9.454 1.00 22.03 ? 732 HOH A O 1 HETATM 6367 O O . HOH Q 7 . ? -32.881 35.105 -31.896 1.00 27.46 ? 733 HOH A O 1 HETATM 6368 O O . HOH Q 7 . ? 4.870 6.554 -15.160 1.00 26.99 ? 734 HOH A O 1 HETATM 6369 O O . HOH Q 7 . ? -34.878 28.172 -32.931 1.00 21.63 ? 735 HOH A O 1 HETATM 6370 O O . HOH Q 7 . ? -20.218 6.317 -24.340 1.00 27.93 ? 736 HOH A O 1 HETATM 6371 O O . HOH Q 7 . ? -31.031 37.194 -28.904 1.00 28.79 ? 737 HOH A O 1 HETATM 6372 O O . HOH Q 7 . ? -16.817 6.512 -31.312 1.00 23.28 ? 738 HOH A O 1 HETATM 6373 O O . HOH Q 7 . ? -31.284 43.867 -21.828 1.00 30.96 ? 739 HOH A O 1 HETATM 6374 O O . HOH Q 7 . ? -35.598 30.197 -26.290 1.00 23.55 ? 740 HOH A O 1 HETATM 6375 O O . HOH Q 7 . ? 3.257 24.578 -4.096 1.00 26.62 ? 741 HOH A O 1 HETATM 6376 O O . HOH Q 7 . ? -6.163 23.715 -16.831 1.00 21.40 ? 742 HOH A O 1 HETATM 6377 O O . HOH Q 7 . ? -36.413 30.424 -12.261 1.00 27.36 ? 743 HOH A O 1 HETATM 6378 O O . HOH Q 7 . ? -32.975 26.607 -33.973 1.00 23.40 ? 744 HOH A O 1 HETATM 6379 O O . HOH Q 7 . ? -26.815 3.779 -15.094 1.00 29.74 ? 745 HOH A O 1 HETATM 6380 O O . HOH Q 7 . ? 7.389 5.631 -15.899 1.00 32.83 ? 746 HOH A O 1 HETATM 6381 O O . HOH Q 7 . ? -10.219 23.605 -33.063 1.00 30.95 ? 747 HOH A O 1 HETATM 6382 O O . HOH Q 7 . ? -8.294 36.412 -28.781 1.00 28.30 ? 748 HOH A O 1 HETATM 6383 O O . HOH Q 7 . ? -23.643 5.608 -4.512 1.00 33.56 ? 749 HOH A O 1 HETATM 6384 O O . HOH Q 7 . ? -8.123 16.256 -33.204 1.00 26.59 ? 750 HOH A O 1 HETATM 6385 O O . HOH Q 7 . ? -6.531 29.548 0.851 1.00 28.04 ? 751 HOH A O 1 HETATM 6386 O O . HOH Q 7 . ? -31.528 29.647 2.392 1.00 27.77 ? 752 HOH A O 1 HETATM 6387 O O . HOH Q 7 . ? -18.426 44.887 -27.069 1.00 32.88 ? 753 HOH A O 1 HETATM 6388 O O . HOH Q 7 . ? -18.846 -0.152 -4.653 1.00 26.84 ? 754 HOH A O 1 HETATM 6389 O O . HOH Q 7 . ? 4.615 7.704 -12.551 1.00 30.73 ? 755 HOH A O 1 HETATM 6390 O O . HOH Q 7 . ? -10.722 40.437 -12.398 1.00 24.95 ? 756 HOH A O 1 HETATM 6391 O O . HOH Q 7 . ? -21.561 47.795 -23.806 1.00 31.05 ? 757 HOH A O 1 HETATM 6392 O O . HOH Q 7 . ? 2.103 8.389 -9.545 1.00 26.66 ? 758 HOH A O 1 HETATM 6393 O O . HOH Q 7 . ? -17.069 34.254 -30.843 1.00 21.77 ? 759 HOH A O 1 HETATM 6394 O O . HOH Q 7 . ? -30.509 34.854 -25.128 1.00 27.19 ? 760 HOH A O 1 HETATM 6395 O O . HOH Q 7 . ? -23.911 48.163 -12.366 1.00 28.96 ? 761 HOH A O 1 HETATM 6396 O O . HOH Q 7 . ? -39.086 7.856 -25.232 1.00 29.17 ? 762 HOH A O 1 HETATM 6397 O O . HOH Q 7 . ? -11.476 28.835 5.219 1.00 21.85 ? 763 HOH A O 1 HETATM 6398 O O . HOH Q 7 . ? -31.516 40.837 -7.080 1.00 29.25 ? 764 HOH A O 1 HETATM 6399 O O . HOH Q 7 . ? -25.969 37.742 3.710 1.00 25.03 ? 765 HOH A O 1 HETATM 6400 O O . HOH Q 7 . ? -36.778 28.318 -10.534 1.00 25.23 ? 766 HOH A O 1 HETATM 6401 O O . HOH Q 7 . ? -30.378 -2.392 -16.997 1.00 25.55 ? 767 HOH A O 1 HETATM 6402 O O . HOH Q 7 . ? -26.387 26.688 -35.521 1.00 30.97 ? 768 HOH A O 1 HETATM 6403 O O . HOH Q 7 . ? -19.454 50.273 -17.692 1.00 34.01 ? 769 HOH A O 1 HETATM 6404 O O . HOH Q 7 . ? -20.510 4.561 -22.619 1.00 23.87 ? 770 HOH A O 1 HETATM 6405 O O . HOH Q 7 . ? -5.180 11.357 -20.454 1.00 24.82 ? 771 HOH A O 1 HETATM 6406 O O . HOH Q 7 . ? -35.161 36.147 -12.648 1.00 30.00 ? 772 HOH A O 1 HETATM 6407 O O . HOH Q 7 . ? -7.083 35.114 -25.274 1.00 32.21 ? 773 HOH A O 1 HETATM 6408 O O . HOH Q 7 . ? -15.628 45.108 -26.633 1.00 28.45 ? 774 HOH A O 1 HETATM 6409 O O . HOH Q 7 . ? -24.581 45.694 1.023 1.00 38.21 ? 775 HOH A O 1 HETATM 6410 O O . HOH Q 7 . ? -24.767 0.450 -16.424 1.00 25.57 ? 776 HOH A O 1 HETATM 6411 O O . HOH Q 7 . ? -38.430 25.243 -32.998 1.00 39.03 ? 777 HOH A O 1 HETATM 6412 O O . HOH Q 7 . ? -21.870 50.149 -14.063 1.00 25.11 ? 778 HOH A O 1 HETATM 6413 O O . HOH Q 7 . ? -14.699 30.515 -38.251 1.00 23.37 ? 779 HOH A O 1 HETATM 6414 O O . HOH Q 7 . ? -23.958 31.232 -34.222 1.00 35.46 ? 780 HOH A O 1 HETATM 6415 O O . HOH Q 7 . ? -32.121 13.088 1.480 1.00 26.04 ? 781 HOH A O 1 HETATM 6416 O O . HOH Q 7 . ? -40.710 19.913 -21.241 1.00 29.86 ? 782 HOH A O 1 HETATM 6417 O O . HOH Q 7 . ? -8.726 35.378 0.576 1.00 30.26 ? 783 HOH A O 1 HETATM 6418 O O . HOH Q 7 . ? -11.187 38.458 -31.237 1.00 31.40 ? 784 HOH A O 1 HETATM 6419 O O . HOH Q 7 . ? -31.376 2.458 -29.669 1.00 28.29 ? 785 HOH A O 1 HETATM 6420 O O . HOH Q 7 . ? -13.813 17.032 -21.587 1.00 24.45 ? 786 HOH A O 1 HETATM 6421 O O . HOH Q 7 . ? -25.921 43.551 -32.417 1.00 31.41 ? 787 HOH A O 1 HETATM 6422 O O . HOH Q 7 . ? -28.106 38.966 -22.946 1.00 23.95 ? 788 HOH A O 1 HETATM 6423 O O . HOH Q 7 . ? -27.275 1.286 -13.639 1.00 28.42 ? 789 HOH A O 1 HETATM 6424 O O . HOH Q 7 . ? -12.553 15.262 -7.068 1.00 25.76 ? 790 HOH A O 1 HETATM 6425 O O . HOH Q 7 . ? -6.622 44.238 -19.193 1.00 26.54 ? 791 HOH A O 1 HETATM 6426 O O . HOH Q 7 . ? -36.244 17.456 -4.392 1.00 28.26 ? 792 HOH A O 1 HETATM 6427 O O . HOH Q 7 . ? 6.910 21.048 1.867 1.00 32.07 ? 793 HOH A O 1 HETATM 6428 O O . HOH Q 7 . ? -7.243 36.197 -3.062 1.00 28.49 ? 794 HOH A O 1 HETATM 6429 O O . HOH Q 7 . ? -5.067 38.749 -12.799 1.00 24.74 ? 795 HOH A O 1 HETATM 6430 O O . HOH Q 7 . ? 3.662 6.290 -9.554 1.00 38.39 ? 796 HOH A O 1 HETATM 6431 O O . HOH Q 7 . ? -30.667 47.619 -12.526 1.00 33.97 ? 797 HOH A O 1 HETATM 6432 O O . HOH Q 7 . ? 1.798 26.376 -8.024 1.00 25.48 ? 798 HOH A O 1 HETATM 6433 O O . HOH Q 7 . ? -13.927 21.677 -37.906 1.00 30.23 ? 799 HOH A O 1 HETATM 6434 O O . HOH Q 7 . ? 2.549 20.826 4.190 1.00 25.65 ? 800 HOH A O 1 HETATM 6435 O O . HOH Q 7 . ? 9.812 15.481 -9.821 1.00 24.12 ? 801 HOH A O 1 HETATM 6436 O O . HOH Q 7 . ? -12.521 37.494 1.929 1.00 25.97 ? 802 HOH A O 1 HETATM 6437 O O . HOH Q 7 . ? -3.026 31.765 0.549 1.00 40.51 ? 803 HOH A O 1 HETATM 6438 O O . HOH Q 7 . ? -0.162 15.333 -16.757 1.00 27.42 ? 804 HOH A O 1 HETATM 6439 O O . HOH Q 7 . ? -4.262 28.673 -15.736 1.00 29.49 ? 805 HOH A O 1 HETATM 6440 O O . HOH Q 7 . ? -24.751 3.262 -16.763 1.00 32.36 ? 806 HOH A O 1 HETATM 6441 O O . HOH Q 7 . ? -23.027 5.425 -8.739 1.00 33.80 ? 807 HOH A O 1 HETATM 6442 O O . HOH Q 7 . ? -39.253 7.060 -16.849 1.00 33.06 ? 808 HOH A O 1 HETATM 6443 O O . HOH Q 7 . ? -8.684 26.476 -25.697 1.00 36.42 ? 809 HOH A O 1 HETATM 6444 O O . HOH Q 7 . ? -14.623 -0.565 -45.920 1.00 37.30 ? 810 HOH A O 1 HETATM 6445 O O . HOH Q 7 . ? -9.666 4.329 -34.470 1.00 31.74 ? 811 HOH A O 1 HETATM 6446 O O . HOH Q 7 . ? -10.293 12.458 -7.838 1.00 22.74 ? 812 HOH A O 1 HETATM 6447 O O . HOH Q 7 . ? -27.479 13.601 1.261 1.00 30.27 ? 813 HOH A O 1 HETATM 6448 O O . HOH Q 7 . ? -0.850 25.035 -5.426 1.00 24.51 ? 814 HOH A O 1 HETATM 6449 O O . HOH Q 7 . ? -30.180 8.211 -7.769 1.00 29.90 ? 815 HOH A O 1 HETATM 6450 O O . HOH Q 7 . ? -32.596 5.918 -32.377 1.00 30.23 ? 816 HOH A O 1 HETATM 6451 O O . HOH Q 7 . ? -1.562 23.679 -1.211 1.00 28.87 ? 817 HOH A O 1 HETATM 6452 O O . HOH Q 7 . ? -9.072 38.388 -3.811 1.00 30.74 ? 818 HOH A O 1 HETATM 6453 O O . HOH Q 7 . ? -16.507 39.846 -34.053 1.00 33.42 ? 819 HOH A O 1 HETATM 6454 O O . HOH Q 7 . ? -24.862 16.486 0.472 1.00 26.69 ? 820 HOH A O 1 HETATM 6455 O O . HOH Q 7 . ? -19.055 5.087 -3.261 1.00 33.29 ? 821 HOH A O 1 HETATM 6456 O O . HOH Q 7 . ? 1.765 16.076 -18.676 1.00 36.16 ? 822 HOH A O 1 HETATM 6457 O O . HOH Q 7 . ? -36.674 4.402 -22.735 1.00 31.24 ? 823 HOH A O 1 HETATM 6458 O O . HOH Q 7 . ? -7.697 28.502 -21.618 1.00 29.74 ? 824 HOH A O 1 HETATM 6459 O O . HOH Q 7 . ? -35.704 35.139 -10.171 1.00 30.59 ? 825 HOH A O 1 HETATM 6460 O O . HOH Q 7 . ? -21.961 0.929 -49.549 1.00 41.57 ? 826 HOH A O 1 HETATM 6461 O O . HOH Q 7 . ? -11.040 48.150 -23.513 1.00 35.29 ? 827 HOH A O 1 HETATM 6462 O O . HOH Q 7 . ? -38.271 32.934 -9.903 1.00 27.17 ? 828 HOH A O 1 HETATM 6463 O O . HOH Q 7 . ? -18.578 47.714 -7.578 1.00 34.64 ? 829 HOH A O 1 HETATM 6464 O O . HOH Q 7 . ? -8.008 4.289 -32.219 1.00 41.74 ? 830 HOH A O 1 HETATM 6465 O O . HOH Q 7 . ? -7.687 41.205 -27.043 1.00 30.37 ? 831 HOH A O 1 HETATM 6466 O O . HOH Q 7 . ? -33.103 7.265 -9.262 1.00 36.41 ? 832 HOH A O 1 HETATM 6467 O O . HOH Q 7 . ? -10.135 -5.294 -42.337 1.00 32.38 ? 833 HOH A O 1 HETATM 6468 O O . HOH Q 7 . ? -40.422 11.331 -21.069 1.00 35.83 ? 834 HOH A O 1 HETATM 6469 O O . HOH Q 7 . ? -3.714 26.115 -16.202 1.00 37.58 ? 835 HOH A O 1 HETATM 6470 O O . HOH Q 7 . ? -33.796 45.774 -10.397 1.00 34.21 ? 836 HOH A O 1 HETATM 6471 O O . HOH Q 7 . ? -23.632 50.390 -18.310 1.00 31.15 ? 837 HOH A O 1 HETATM 6472 O O . HOH Q 7 . ? -35.132 29.954 -21.298 1.00 34.87 ? 838 HOH A O 1 HETATM 6473 O O . HOH Q 7 . ? -6.137 30.586 -18.422 1.00 26.74 ? 839 HOH A O 1 HETATM 6474 O O . HOH Q 7 . ? -26.644 10.767 1.741 1.00 43.01 ? 840 HOH A O 1 HETATM 6475 O O . HOH Q 7 . ? -18.492 22.830 -37.682 1.00 30.49 ? 841 HOH A O 1 HETATM 6476 O O . HOH Q 7 . ? -22.320 47.833 -28.852 1.00 37.88 ? 842 HOH A O 1 HETATM 6477 O O . HOH Q 7 . ? -5.423 16.752 -24.849 1.00 26.67 ? 843 HOH A O 1 HETATM 6478 O O . HOH Q 7 . ? -4.810 21.104 -16.884 1.00 36.18 ? 844 HOH A O 1 HETATM 6479 O O . HOH Q 7 . ? 4.182 10.857 -0.227 1.00 29.01 ? 845 HOH A O 1 HETATM 6480 O O . HOH Q 7 . ? -44.884 12.522 -13.931 1.00 32.06 ? 846 HOH A O 1 HETATM 6481 O O . HOH Q 7 . ? -10.399 22.534 -35.537 1.00 30.91 ? 847 HOH A O 1 HETATM 6482 O O . HOH Q 7 . ? -29.142 5.120 -12.122 1.00 30.33 ? 848 HOH A O 1 HETATM 6483 O O . HOH Q 7 . ? -13.143 49.934 -22.114 1.00 40.07 ? 849 HOH A O 1 HETATM 6484 O O . HOH Q 7 . ? -25.878 43.267 0.857 1.00 38.78 ? 850 HOH A O 1 HETATM 6485 O O . HOH Q 7 . ? -36.652 31.058 -19.020 1.00 33.93 ? 851 HOH A O 1 HETATM 6486 O O . HOH Q 7 . ? -17.405 10.615 -40.883 1.00 41.20 ? 852 HOH A O 1 HETATM 6487 O O . HOH Q 7 . ? -6.105 19.011 -18.287 1.00 26.28 ? 853 HOH A O 1 HETATM 6488 O O . HOH Q 7 . ? -14.507 27.098 -38.368 1.00 33.57 ? 854 HOH A O 1 HETATM 6489 O O . HOH Q 7 . ? -36.832 29.979 -23.751 1.00 34.53 ? 855 HOH A O 1 HETATM 6490 O O . HOH Q 7 . ? -37.768 26.303 -0.089 1.00 33.17 ? 856 HOH A O 1 HETATM 6491 O O . HOH Q 7 . ? -15.443 36.701 -37.501 1.00 33.45 ? 857 HOH A O 1 HETATM 6492 O O . HOH Q 7 . ? -10.353 35.724 -31.626 1.00 37.89 ? 858 HOH A O 1 HETATM 6493 O O . HOH Q 7 . ? -27.366 39.897 4.091 1.00 39.40 ? 859 HOH A O 1 HETATM 6494 O O . HOH Q 7 . ? -38.491 19.866 -10.076 1.00 36.12 ? 860 HOH A O 1 HETATM 6495 O O . HOH Q 7 . ? -32.668 32.393 5.950 1.00 34.70 ? 861 HOH A O 1 HETATM 6496 O O . HOH Q 7 . ? -12.335 50.122 -12.072 1.00 45.16 ? 862 HOH A O 1 HETATM 6497 O O . HOH Q 7 . ? -24.247 51.046 -15.738 1.00 41.61 ? 863 HOH A O 1 HETATM 6498 O O . HOH Q 7 . ? -39.447 31.363 -26.908 1.00 36.30 ? 864 HOH A O 1 HETATM 6499 O O . HOH Q 7 . ? -13.436 12.819 -41.383 1.00 38.27 ? 865 HOH A O 1 HETATM 6500 O O . HOH Q 7 . ? -27.910 45.244 -26.134 1.00 30.44 ? 866 HOH A O 1 HETATM 6501 O O . HOH Q 7 . ? -25.450 50.163 -10.902 1.00 42.34 ? 867 HOH A O 1 HETATM 6502 O O . HOH Q 7 . ? 2.646 27.557 -12.304 1.00 34.64 ? 868 HOH A O 1 HETATM 6503 O O . HOH Q 7 . ? -24.732 38.609 9.612 1.00 47.54 ? 869 HOH A O 1 HETATM 6504 O O . HOH Q 7 . ? 1.621 19.045 -19.091 1.00 34.16 ? 870 HOH A O 1 HETATM 6505 O O . HOH Q 7 . ? -30.038 49.389 -18.726 1.00 38.98 ? 871 HOH A O 1 HETATM 6506 O O . HOH Q 7 . ? 0.043 5.004 -19.120 1.00 42.03 ? 872 HOH A O 1 HETATM 6507 O O . HOH Q 7 . ? -26.754 36.904 10.921 1.00 36.30 ? 873 HOH A O 1 HETATM 6508 O O . HOH Q 7 . ? -17.934 43.453 -30.245 1.00 44.62 ? 874 HOH A O 1 HETATM 6509 O O . HOH Q 7 . ? -12.623 47.911 -10.289 1.00 45.15 ? 875 HOH A O 1 HETATM 6510 O O . HOH Q 7 . ? -19.031 3.648 -31.215 1.00 28.75 ? 876 HOH A O 1 HETATM 6511 O O . HOH Q 7 . ? -19.635 33.894 -36.820 1.00 38.45 ? 877 HOH A O 1 HETATM 6512 O O . HOH Q 7 . ? 4.342 22.754 -17.855 1.00 34.11 ? 878 HOH A O 1 HETATM 6513 O O . HOH Q 7 . ? -17.479 4.223 -44.578 1.00 40.16 ? 879 HOH A O 1 HETATM 6514 O O . HOH Q 7 . ? -43.502 28.470 -25.892 1.00 41.09 ? 880 HOH A O 1 HETATM 6515 O O . HOH Q 7 . ? -18.902 11.498 -38.520 1.00 38.74 ? 881 HOH A O 1 HETATM 6516 O O . HOH Q 7 . ? -31.090 44.785 -6.641 1.00 35.09 ? 882 HOH A O 1 HETATM 6517 O O . HOH Q 7 . ? 6.881 -0.961 -12.976 1.00 36.02 ? 883 HOH A O 1 HETATM 6518 O O . HOH Q 7 . ? -29.700 28.471 -36.852 1.00 33.89 ? 884 HOH A O 1 HETATM 6519 O O . HOH Q 7 . ? -9.721 21.443 -31.033 1.00 35.93 ? 885 HOH A O 1 HETATM 6520 O O . HOH Q 7 . ? 0.503 20.309 -21.226 1.00 40.66 ? 886 HOH A O 1 HETATM 6521 O O . HOH Q 7 . ? -1.360 1.441 -4.317 1.00 38.81 ? 887 HOH A O 1 HETATM 6522 O O . HOH Q 7 . ? -19.661 3.213 -4.960 1.00 37.78 ? 888 HOH A O 1 HETATM 6523 O O . HOH Q 7 . ? 6.042 24.080 -3.364 1.00 35.39 ? 889 HOH A O 1 HETATM 6524 O O . HOH Q 7 . ? -5.589 27.761 3.095 1.00 38.66 ? 890 HOH A O 1 HETATM 6525 O O . HOH Q 7 . ? -12.251 16.633 -39.418 1.00 32.31 ? 891 HOH A O 1 HETATM 6526 O O . HOH Q 7 . ? -20.909 51.341 -21.836 1.00 44.34 ? 892 HOH A O 1 HETATM 6527 O O . HOH Q 7 . ? -21.443 20.672 -39.523 1.00 41.10 ? 893 HOH A O 1 HETATM 6528 O O . HOH Q 7 . ? -38.950 30.660 -13.595 1.00 28.59 ? 894 HOH A O 1 HETATM 6529 O O . HOH Q 7 . ? -11.106 34.342 -36.324 1.00 44.64 ? 895 HOH A O 1 HETATM 6530 O O . HOH Q 7 . ? -33.906 8.889 -31.661 1.00 32.94 ? 896 HOH A O 1 HETATM 6531 O O . HOH Q 7 . ? -21.402 51.841 -19.076 1.00 44.75 ? 897 HOH A O 1 HETATM 6532 O O . HOH Q 7 . ? -26.432 6.171 -3.676 1.00 42.12 ? 898 HOH A O 1 HETATM 6533 O O . HOH Q 7 . ? -21.771 5.941 -0.628 1.00 36.19 ? 899 HOH A O 1 HETATM 6534 O O . HOH Q 7 . ? -30.396 1.228 -27.564 1.00 36.80 ? 900 HOH A O 1 HETATM 6535 O O . HOH Q 7 . ? -32.880 36.696 2.993 1.00 29.43 ? 901 HOH A O 1 HETATM 6536 O O . HOH Q 7 . ? -33.522 36.970 0.308 1.00 46.32 ? 902 HOH A O 1 HETATM 6537 O O . HOH Q 7 . ? -9.370 31.878 -32.572 1.00 42.06 ? 903 HOH A O 1 HETATM 6538 O O . HOH Q 7 . ? -9.720 43.832 -12.710 1.00 37.33 ? 904 HOH A O 1 HETATM 6539 O O . HOH Q 7 . ? -12.584 44.667 -28.850 1.00 45.19 ? 905 HOH A O 1 HETATM 6540 O O . HOH Q 7 . ? -30.634 36.822 5.953 1.00 32.50 ? 906 HOH A O 1 HETATM 6541 O O . HOH Q 7 . ? -32.583 34.416 -34.428 1.00 53.81 ? 907 HOH A O 1 HETATM 6542 O O . HOH Q 7 . ? -8.233 25.423 -32.442 1.00 42.58 ? 908 HOH A O 1 HETATM 6543 O O . HOH Q 7 . ? -43.282 28.261 -12.018 1.00 38.72 ? 909 HOH A O 1 HETATM 6544 O O . HOH Q 7 . ? -34.830 36.922 -18.005 1.00 32.60 ? 910 HOH A O 1 HETATM 6545 O O . HOH Q 7 . ? -22.270 10.493 -37.654 1.00 31.05 ? 911 HOH A O 1 HETATM 6546 O O . HOH Q 7 . ? -23.960 48.613 -25.080 1.00 35.14 ? 912 HOH A O 1 HETATM 6547 O O . HOH Q 7 . ? -10.841 -8.073 -45.299 1.00 40.92 ? 913 HOH A O 1 HETATM 6548 O O . HOH Q 7 . ? -31.122 30.069 -1.097 1.00 34.76 ? 914 HOH A O 1 HETATM 6549 O O . HOH Q 7 . ? -43.682 28.257 -3.948 1.00 44.08 ? 915 HOH A O 1 HETATM 6550 O O . HOH Q 7 . ? -41.461 21.657 -8.806 1.00 31.64 ? 916 HOH A O 1 HETATM 6551 O O . HOH Q 7 . ? -39.970 19.451 -24.003 1.00 38.60 ? 917 HOH A O 1 HETATM 6552 O O . HOH Q 7 . ? 4.539 5.835 -4.858 1.00 39.33 ? 918 HOH A O 1 HETATM 6553 O O . HOH Q 7 . ? -9.744 6.696 -30.172 1.00 41.76 ? 919 HOH A O 1 HETATM 6554 O O . HOH Q 7 . ? -29.119 39.628 -2.677 1.00 42.25 ? 920 HOH A O 1 HETATM 6555 O O . HOH Q 7 . ? -40.665 29.203 -11.761 1.00 38.07 ? 921 HOH A O 1 HETATM 6556 O O . HOH Q 7 . ? -9.665 40.775 -7.835 1.00 43.32 ? 922 HOH A O 1 HETATM 6557 O O . HOH Q 7 . ? -15.802 20.415 -39.142 1.00 37.31 ? 923 HOH A O 1 HETATM 6558 O O . HOH Q 7 . ? -41.592 22.790 -32.876 1.00 37.62 ? 924 HOH A O 1 HETATM 6559 O O . HOH Q 7 . ? -46.417 16.151 -20.637 1.00 49.66 ? 925 HOH A O 1 HETATM 6560 O O . HOH Q 7 . ? -34.249 32.665 -32.118 1.00 44.96 ? 926 HOH A O 1 HETATM 6561 O O . HOH Q 7 . ? 6.022 23.875 -11.373 1.00 35.74 ? 927 HOH A O 1 HETATM 6562 O O . HOH Q 7 . ? 10.954 13.900 -7.825 1.00 42.90 ? 928 HOH A O 1 HETATM 6563 O O . HOH Q 7 . ? -35.054 41.421 -8.099 1.00 54.75 ? 929 HOH A O 1 HETATM 6564 O O . HOH Q 7 . ? -39.962 19.817 -2.673 1.00 43.65 ? 930 HOH A O 1 HETATM 6565 O O . HOH Q 7 . ? -13.095 1.468 -1.400 1.00 42.67 ? 931 HOH A O 1 HETATM 6566 O O . HOH Q 7 . ? -6.172 37.011 -27.322 1.00 45.07 ? 932 HOH A O 1 HETATM 6567 O O . HOH Q 7 . ? -26.007 5.394 -8.322 1.00 54.92 ? 933 HOH A O 1 HETATM 6568 O O . HOH Q 7 . ? -45.964 22.351 -12.661 1.00 43.25 ? 934 HOH A O 1 HETATM 6569 O O . HOH Q 7 . ? -22.306 48.070 -5.609 1.00 37.51 ? 935 HOH A O 1 HETATM 6570 O O . HOH Q 7 . ? -17.551 2.140 0.363 1.00 44.81 ? 936 HOH A O 1 HETATM 6571 O O . HOH Q 7 . ? -17.577 0.456 -2.121 1.00 41.06 ? 937 HOH A O 1 HETATM 6572 O O . HOH Q 7 . ? 9.454 16.486 -1.586 1.00 41.95 ? 938 HOH A O 1 HETATM 6573 O O . HOH Q 7 . ? -25.685 49.234 -14.235 1.00 38.75 ? 939 HOH A O 1 HETATM 6574 O O . HOH Q 7 . ? -19.330 47.283 -25.654 1.00 38.82 ? 940 HOH A O 1 HETATM 6575 O O . HOH Q 7 . ? -14.714 48.538 -11.716 1.00 53.08 ? 941 HOH A O 1 HETATM 6576 O O . HOH Q 7 . ? -12.301 31.815 -38.009 1.00 44.59 ? 942 HOH A O 1 HETATM 6577 O O . HOH Q 7 . ? -30.934 46.701 -15.227 1.00 29.94 ? 943 HOH A O 1 HETATM 6578 O O . HOH Q 7 . ? -9.825 17.683 -37.357 1.00 49.61 ? 944 HOH A O 1 HETATM 6579 O O . HOH Q 7 . ? -26.589 31.508 -33.531 1.00 43.61 ? 945 HOH A O 1 HETATM 6580 O O . HOH Q 7 . ? -19.931 17.463 -41.995 1.00 45.08 ? 946 HOH A O 1 HETATM 6581 O O . HOH Q 7 . ? -8.229 29.283 4.185 1.00 41.47 ? 947 HOH A O 1 HETATM 6582 O O . HOH Q 7 . ? -32.935 15.310 -36.032 1.00 48.07 ? 948 HOH A O 1 HETATM 6583 O O . HOH Q 7 . ? -29.465 38.957 5.122 1.00 46.12 ? 949 HOH A O 1 HETATM 6584 O O . HOH Q 7 . ? -10.494 16.784 -34.686 1.00 38.02 ? 950 HOH A O 1 HETATM 6585 O O . HOH Q 7 . ? -30.963 47.781 -8.085 1.00 40.70 ? 951 HOH A O 1 HETATM 6586 O O . HOH Q 7 . ? -9.668 9.666 -37.614 1.00 42.36 ? 952 HOH A O 1 HETATM 6587 O O . HOH Q 7 . ? -20.468 6.657 -26.689 1.00 29.83 ? 953 HOH A O 1 HETATM 6588 O O . HOH Q 7 . ? -42.042 23.409 -20.050 1.00 41.83 ? 954 HOH A O 1 HETATM 6589 O O . HOH Q 7 . ? -25.770 6.418 -41.003 1.00 43.45 ? 955 HOH A O 1 HETATM 6590 O O . HOH Q 7 . ? -7.022 20.699 -21.129 1.00 51.82 ? 956 HOH A O 1 HETATM 6591 O O . HOH Q 7 . ? -32.099 39.394 3.648 1.00 42.05 ? 957 HOH A O 1 HETATM 6592 O O . HOH Q 7 . ? -35.745 4.100 -12.185 1.00 39.25 ? 958 HOH A O 1 HETATM 6593 O O . HOH Q 7 . ? -6.851 33.666 1.938 1.00 36.84 ? 959 HOH A O 1 HETATM 6594 O O . HOH Q 7 . ? -12.280 9.541 -38.418 1.00 54.01 ? 960 HOH A O 1 HETATM 6595 O O . HOH Q 7 . ? -26.067 40.911 6.434 1.00 43.75 ? 961 HOH A O 1 HETATM 6596 O O . HOH Q 7 . ? -23.684 39.397 7.117 1.00 28.66 ? 962 HOH A O 1 HETATM 6597 O O . HOH Q 7 . ? 1.491 7.115 -18.319 1.00 35.81 ? 963 HOH A O 1 HETATM 6598 O O . HOH Q 7 . ? -14.610 -6.622 -48.894 1.00 43.02 ? 964 HOH A O 1 HETATM 6599 O O . HOH Q 7 . ? 3.396 8.644 3.553 1.00 34.14 ? 965 HOH A O 1 HETATM 6600 O O . HOH Q 7 . ? 8.562 2.720 -15.010 1.00 37.25 ? 966 HOH A O 1 HETATM 6601 O O . HOH Q 7 . ? -35.837 23.003 -34.227 1.00 43.05 ? 967 HOH A O 1 HETATM 6602 O O . HOH Q 7 . ? -39.218 29.162 -22.457 1.00 31.93 ? 968 HOH A O 1 HETATM 6603 O O . HOH Q 7 . ? -3.079 0.634 -25.318 1.00 46.27 ? 969 HOH A O 1 HETATM 6604 O O . HOH Q 7 . ? -31.875 34.711 -6.625 1.00 42.85 ? 970 HOH A O 1 HETATM 6605 O O . HOH Q 7 . ? -33.056 28.419 0.296 1.00 54.95 ? 971 HOH A O 1 HETATM 6606 O O . HOH Q 7 . ? -5.691 40.370 -19.378 1.00 35.57 ? 972 HOH A O 1 HETATM 6607 O O . HOH Q 7 . ? 10.995 15.574 -5.479 1.00 38.45 ? 973 HOH A O 1 HETATM 6608 O O . HOH Q 7 . ? -36.452 32.553 -30.406 1.00 39.37 ? 974 HOH A O 1 HETATM 6609 O O . HOH Q 7 . ? 1.510 23.398 -0.067 1.00 40.79 ? 975 HOH A O 1 HETATM 6610 O O . HOH Q 7 . ? -46.911 19.854 -17.909 1.00 49.18 ? 976 HOH A O 1 HETATM 6611 O O . HOH Q 7 . ? -24.469 9.615 -38.901 1.00 47.57 ? 977 HOH A O 1 HETATM 6612 O O . HOH Q 7 . ? -2.950 0.023 -2.522 1.00 40.90 ? 978 HOH A O 1 HETATM 6613 O O . HOH Q 7 . ? -7.748 18.965 -26.258 1.00 37.05 ? 979 HOH A O 1 HETATM 6614 O O . HOH Q 7 . ? 5.022 12.281 -19.703 1.00 41.09 ? 980 HOH A O 1 HETATM 6615 O O . HOH Q 7 . ? -3.118 21.574 5.561 1.00 34.09 ? 981 HOH A O 1 HETATM 6616 O O . HOH Q 7 . ? -9.369 29.313 -29.434 1.00 45.13 ? 982 HOH A O 1 HETATM 6617 O O . HOH Q 7 . ? -37.454 18.956 -2.070 1.00 53.71 ? 983 HOH A O 1 HETATM 6618 O O . HOH Q 7 . ? -44.074 22.847 -8.410 1.00 42.55 ? 984 HOH A O 1 HETATM 6619 O O . HOH Q 7 . ? -10.224 31.451 -36.336 1.00 55.45 ? 985 HOH A O 1 HETATM 6620 O O . HOH Q 7 . ? -22.241 -2.422 -51.865 1.00 45.51 ? 986 HOH A O 1 HETATM 6621 O O . HOH Q 7 . ? -3.540 37.332 -14.476 1.00 48.60 ? 987 HOH A O 1 HETATM 6622 O O . HOH Q 7 . ? 7.260 21.614 -6.341 1.00 37.90 ? 988 HOH A O 1 HETATM 6623 O O . HOH Q 7 . ? -7.424 18.780 -29.042 1.00 44.68 ? 989 HOH A O 1 HETATM 6624 O O . HOH Q 7 . ? -37.179 38.354 -14.491 1.00 39.43 ? 990 HOH A O 1 HETATM 6625 O O . HOH Q 7 . ? -22.863 2.871 -7.581 1.00 42.49 ? 991 HOH A O 1 HETATM 6626 O O . HOH Q 7 . ? 10.377 13.836 -12.120 1.00 34.23 ? 992 HOH A O 1 HETATM 6627 O O . HOH Q 7 . ? -42.356 16.893 -21.818 1.00 38.48 ? 993 HOH A O 1 HETATM 6628 O O . HOH Q 7 . ? 1.098 2.234 -5.667 1.00 44.45 ? 994 HOH A O 1 HETATM 6629 O O . HOH Q 7 . ? 3.971 20.167 -18.435 1.00 45.06 ? 995 HOH A O 1 HETATM 6630 O O . HOH Q 7 . ? 10.569 6.981 -15.840 1.00 42.39 ? 996 HOH A O 1 HETATM 6631 O O . HOH Q 7 . ? -26.040 16.562 -39.561 1.00 40.46 ? 997 HOH A O 1 HETATM 6632 O O . HOH Q 7 . ? -11.391 39.444 0.410 1.00 42.31 ? 998 HOH A O 1 HETATM 6633 O O . HOH Q 7 . ? -3.792 37.326 -10.640 1.00 42.97 ? 999 HOH A O 1 HETATM 6634 O O . HOH Q 7 . ? 4.621 15.620 -18.845 1.00 39.02 ? 1000 HOH A O 1 HETATM 6635 O O . HOH Q 7 . ? -11.112 27.178 -36.967 1.00 40.52 ? 1001 HOH A O 1 HETATM 6636 O O . HOH Q 7 . ? 1.798 15.806 -22.754 1.00 42.31 ? 1002 HOH A O 1 HETATM 6637 O O . HOH Q 7 . ? -6.834 12.988 -29.336 1.00 44.40 ? 1003 HOH A O 1 HETATM 6638 O O . HOH Q 7 . ? -8.097 47.885 -23.842 1.00 46.52 ? 1004 HOH A O 1 HETATM 6639 O O . HOH Q 7 . ? -0.757 22.137 1.727 1.00 38.72 ? 1005 HOH A O 1 HETATM 6640 O O . HOH Q 7 . ? -4.785 7.251 -26.550 1.00 40.43 ? 1006 HOH A O 1 HETATM 6641 O O . HOH Q 7 . ? -15.281 -1.841 -48.339 1.00 47.63 ? 1007 HOH A O 1 HETATM 6642 O O . HOH Q 7 . ? -39.517 12.492 -32.348 1.00 45.42 ? 1008 HOH A O 1 HETATM 6643 O O . HOH Q 7 . ? -34.658 3.556 -28.191 1.00 39.91 ? 1009 HOH A O 1 HETATM 6644 O O . HOH Q 7 . ? -15.256 44.487 -30.740 1.00 48.21 ? 1010 HOH A O 1 HETATM 6645 O O . HOH Q 7 . ? -11.370 0.134 -43.018 1.00 52.05 ? 1011 HOH A O 1 HETATM 6646 O O . HOH Q 7 . ? -33.831 38.150 -20.723 1.00 45.22 ? 1012 HOH A O 1 HETATM 6647 O O . HOH Q 7 . ? -27.416 43.715 -1.530 1.00 48.25 ? 1013 HOH A O 1 HETATM 6648 O O . HOH Q 7 . ? -30.191 17.179 -36.871 1.00 41.47 ? 1014 HOH A O 1 HETATM 6649 O O . HOH Q 7 . ? -20.294 3.684 -45.521 1.00 48.14 ? 1015 HOH A O 1 HETATM 6650 O O . HOH Q 7 . ? -15.372 49.791 -20.083 1.00 44.30 ? 1016 HOH A O 1 HETATM 6651 O O . HOH Q 7 . ? -9.846 44.349 -28.296 1.00 51.56 ? 1017 HOH A O 1 HETATM 6652 O O . HOH Q 7 . ? -5.419 26.155 -18.656 1.00 50.58 ? 1018 HOH A O 1 HETATM 6653 O O . HOH Q 7 . ? 4.727 23.216 -0.648 1.00 43.37 ? 1019 HOH A O 1 HETATM 6654 O O . HOH Q 7 . ? -25.128 50.219 -7.953 1.00 49.80 ? 1020 HOH A O 1 HETATM 6655 O O . HOH Q 7 . ? -2.415 35.328 -12.212 1.00 43.99 ? 1021 HOH A O 1 HETATM 6656 O O . HOH Q 7 . ? 3.008 24.090 -20.125 1.00 48.10 ? 1022 HOH A O 1 HETATM 6657 O O . HOH Q 7 . ? -13.117 24.232 -38.863 1.00 48.67 ? 1023 HOH A O 1 HETATM 6658 O O . HOH Q 7 . ? -12.585 2.771 -43.565 1.00 45.76 ? 1024 HOH A O 1 HETATM 6659 O O . HOH Q 7 . ? -28.395 48.804 -13.954 1.00 51.52 ? 1025 HOH A O 1 HETATM 6660 O O . HOH Q 7 . ? -5.144 39.641 -26.881 1.00 48.15 ? 1026 HOH A O 1 HETATM 6661 O O . HOH Q 7 . ? -27.591 45.807 -3.443 1.00 44.38 ? 1027 HOH A O 1 HETATM 6662 O O . HOH Q 7 . ? -36.145 33.267 -12.403 1.00 66.07 ? 1028 HOH A O 1 HETATM 6663 O O . HOH Q 7 . ? -25.340 22.551 -39.818 1.00 41.98 ? 1029 HOH A O 1 HETATM 6664 O O . HOH Q 7 . ? -25.641 45.633 3.564 1.00 46.43 ? 1030 HOH A O 1 HETATM 6665 O O . HOH Q 7 . ? -31.837 38.863 -1.293 1.00 46.35 ? 1031 HOH A O 1 HETATM 6666 O O . HOH Q 7 . ? -38.354 32.941 -3.994 1.00 39.46 ? 1032 HOH A O 1 HETATM 6667 O O . HOH Q 7 . ? -33.091 10.610 0.325 1.00 45.11 ? 1033 HOH A O 1 HETATM 6668 O O . HOH Q 7 . ? -33.475 47.051 -19.113 1.00 40.10 ? 1034 HOH A O 1 HETATM 6669 O O . HOH Q 7 . ? -24.601 5.061 -43.268 1.00 38.97 ? 1035 HOH A O 1 HETATM 6670 O O . HOH Q 7 . ? 0.171 18.196 -23.420 1.00 52.97 ? 1036 HOH A O 1 HETATM 6671 O O . HOH Q 7 . ? -1.721 32.730 -10.872 1.00 48.51 ? 1037 HOH A O 1 HETATM 6672 O O . HOH Q 7 . ? -34.555 21.317 -36.266 1.00 43.37 ? 1038 HOH A O 1 HETATM 6673 O O . HOH Q 7 . ? 5.506 8.110 -8.301 1.00 39.69 ? 1039 HOH A O 1 HETATM 6674 O O . HOH Q 7 . ? -9.968 39.441 -1.708 1.00 45.34 ? 1040 HOH A O 1 HETATM 6675 O O . HOH Q 7 . ? -22.401 -1.999 -54.774 1.00 54.62 ? 1041 HOH A O 1 HETATM 6676 O O . HOH Q 7 . ? 6.864 9.503 -6.115 1.00 40.91 ? 1042 HOH A O 1 HETATM 6677 O O . HOH Q 7 . ? 5.690 8.207 -3.708 1.00 47.37 ? 1043 HOH A O 1 HETATM 6678 O O . HOH Q 7 . ? -44.438 18.904 -21.524 1.00 46.41 ? 1044 HOH A O 1 HETATM 6679 O O . HOH Q 7 . ? -7.944 7.947 -32.698 1.00 52.47 ? 1045 HOH A O 1 HETATM 6680 O O . HOH Q 7 . ? -2.621 28.839 0.585 1.00 49.02 ? 1046 HOH A O 1 HETATM 6681 O O . HOH Q 7 . ? -39.688 35.163 -5.394 1.00 57.93 ? 1047 HOH A O 1 HETATM 6682 O O . HOH Q 7 . ? -4.714 15.039 -29.304 1.00 53.17 ? 1048 HOH A O 1 HETATM 6683 O O . HOH Q 7 . ? -40.242 17.439 -8.233 1.00 47.26 ? 1049 HOH A O 1 HETATM 6684 O O . HOH Q 7 . ? -3.691 33.398 -20.431 1.00 39.36 ? 1050 HOH A O 1 HETATM 6685 O O . HOH Q 7 . ? -27.728 22.225 -38.090 1.00 50.67 ? 1051 HOH A O 1 HETATM 6686 O O . HOH Q 7 . ? -23.743 18.100 -40.315 1.00 57.88 ? 1052 HOH A O 1 HETATM 6687 O O . HOH Q 7 . ? -29.923 20.063 -36.260 1.00 55.09 ? 1053 HOH A O 1 HETATM 6688 O O . HOH Q 7 . ? -12.661 -3.362 -48.642 1.00 75.48 ? 1054 HOH A O 1 HETATM 6689 O O . HOH Q 7 . ? 8.843 17.729 1.118 1.00 48.55 ? 1055 HOH A O 1 HETATM 6690 O O . HOH Q 7 . ? -28.202 40.429 -0.127 1.00 52.04 ? 1056 HOH A O 1 HETATM 6691 O O . HOH Q 7 . ? -41.533 9.219 -22.780 1.00 51.99 ? 1057 HOH A O 1 HETATM 6692 O O . HOH Q 7 . ? -11.866 15.680 -22.407 1.00 37.93 ? 1058 HOH A O 1 HETATM 6693 O O . HOH R 7 . ? -11.690 -23.257 -34.405 1.00 16.04 ? 601 HOH B O 1 HETATM 6694 O O . HOH R 7 . ? -11.637 -16.327 -6.357 1.00 11.54 ? 602 HOH B O 1 HETATM 6695 O O . HOH R 7 . ? -13.222 -15.060 -32.913 1.00 13.28 ? 603 HOH B O 1 HETATM 6696 O O . HOH R 7 . ? -19.424 -19.296 -27.627 1.00 12.55 ? 604 HOH B O 1 HETATM 6697 O O . HOH R 7 . ? -13.712 -9.036 -2.431 1.00 14.15 ? 605 HOH B O 1 HETATM 6698 O O . HOH R 7 . ? -6.430 -5.061 -24.696 1.00 14.16 ? 606 HOH B O 1 HETATM 6699 O O . HOH R 7 . ? -17.015 -15.207 -20.612 1.00 13.86 ? 607 HOH B O 1 HETATM 6700 O O . HOH R 7 . ? -3.564 -5.292 -25.033 1.00 14.84 ? 608 HOH B O 1 HETATM 6701 O O . HOH R 7 . ? -6.957 -15.344 -14.413 1.00 13.85 ? 609 HOH B O 1 HETATM 6702 O O . HOH R 7 . ? -20.527 -19.661 -39.484 1.00 14.50 ? 610 HOH B O 1 HETATM 6703 O O . HOH R 7 . ? -7.211 -1.837 -17.723 1.00 12.66 ? 611 HOH B O 1 HETATM 6704 O O . HOH R 7 . ? -11.181 -2.177 -19.556 1.00 13.01 ? 612 HOH B O 1 HETATM 6705 O O . HOH R 7 . ? -16.876 -22.805 -33.143 1.00 14.24 ? 613 HOH B O 1 HETATM 6706 O O . HOH R 7 . ? -14.274 -13.838 -28.310 1.00 14.94 ? 614 HOH B O 1 HETATM 6707 O O . HOH R 7 . ? -14.647 0.999 -36.697 1.00 15.23 ? 615 HOH B O 1 HETATM 6708 O O . HOH R 7 . ? -21.130 -3.472 -35.792 1.00 16.23 ? 616 HOH B O 1 HETATM 6709 O O . HOH R 7 . ? -8.872 -19.130 -16.686 1.00 15.20 ? 617 HOH B O 1 HETATM 6710 O O . HOH R 7 . ? -19.415 -15.072 -33.802 1.00 14.45 ? 618 HOH B O 1 HETATM 6711 O O . HOH R 7 . ? -19.553 -18.692 -37.100 1.00 14.27 ? 619 HOH B O 1 HETATM 6712 O O . HOH R 7 . ? -24.971 -15.295 -28.961 1.00 14.50 ? 620 HOH B O 1 HETATM 6713 O O . HOH R 7 . ? -16.321 -33.355 -13.696 1.00 15.74 ? 621 HOH B O 1 HETATM 6714 O O . HOH R 7 . ? -15.042 -14.323 -30.817 1.00 15.50 ? 622 HOH B O 1 HETATM 6715 O O . HOH R 7 . ? -33.690 -14.073 -17.756 1.00 15.97 ? 623 HOH B O 1 HETATM 6716 O O . HOH R 7 . ? -30.400 -24.017 1.308 1.00 16.03 ? 624 HOH B O 1 HETATM 6717 O O . HOH R 7 . ? -13.361 -23.222 -7.586 1.00 13.75 ? 625 HOH B O 1 HETATM 6718 O O . HOH R 7 . ? -28.361 -22.126 1.377 1.00 16.59 ? 626 HOH B O 1 HETATM 6719 O O . HOH R 7 . ? -15.054 1.643 -34.005 1.00 15.86 ? 627 HOH B O 1 HETATM 6720 O O . HOH R 7 . ? -8.532 -18.978 -29.506 1.00 18.10 ? 628 HOH B O 1 HETATM 6721 O O . HOH R 7 . ? -23.708 -12.575 -20.497 1.00 15.71 ? 629 HOH B O 1 HETATM 6722 O O . HOH R 7 . ? -31.079 -13.521 -18.619 1.00 14.14 ? 630 HOH B O 1 HETATM 6723 O O . HOH R 7 . ? -5.985 -12.426 -25.434 1.00 14.85 ? 631 HOH B O 1 HETATM 6724 O O . HOH R 7 . ? -25.564 -1.027 -12.506 1.00 19.24 ? 632 HOH B O 1 HETATM 6725 O O . HOH R 7 . ? -3.868 -5.566 -7.142 1.00 13.69 ? 633 HOH B O 1 HETATM 6726 O O . HOH R 7 . ? -20.366 -7.060 -4.594 1.00 16.44 ? 634 HOH B O 1 HETATM 6727 O O . HOH R 7 . ? -20.693 0.470 -38.904 1.00 17.69 ? 635 HOH B O 1 HETATM 6728 O O . HOH R 7 . ? -36.764 -19.437 -11.617 1.00 18.60 ? 636 HOH B O 1 HETATM 6729 O O . HOH R 7 . ? -28.918 -12.734 -23.708 1.00 15.24 ? 637 HOH B O 1 HETATM 6730 O O . HOH R 7 . ? -12.639 -21.207 -41.256 1.00 17.23 ? 638 HOH B O 1 HETATM 6731 O O . HOH R 7 . ? -23.021 -32.346 -38.229 1.00 17.21 ? 639 HOH B O 1 HETATM 6732 O O . HOH R 7 . ? -6.699 -17.542 -16.074 1.00 17.43 ? 640 HOH B O 1 HETATM 6733 O O . HOH R 7 . ? -25.189 -15.913 -22.533 1.00 17.65 ? 641 HOH B O 1 HETATM 6734 O O . HOH R 7 . ? -17.820 -17.501 -15.643 1.00 14.24 ? 642 HOH B O 1 HETATM 6735 O O . HOH R 7 . ? -20.598 -16.203 -36.122 1.00 15.41 ? 643 HOH B O 1 HETATM 6736 O O . HOH R 7 . ? -17.797 2.305 -33.404 1.00 15.78 ? 644 HOH B O 1 HETATM 6737 O O . HOH R 7 . ? -20.183 -33.561 -28.567 1.00 19.10 ? 645 HOH B O 1 HETATM 6738 O O . HOH R 7 . ? -37.264 -12.591 -26.651 1.00 18.02 ? 646 HOH B O 1 HETATM 6739 O O . HOH R 7 . ? -22.446 -23.855 -22.412 1.00 15.55 ? 647 HOH B O 1 HETATM 6740 O O . HOH R 7 . ? -28.864 -19.963 -21.252 1.00 15.74 ? 648 HOH B O 1 HETATM 6741 O O . HOH R 7 . ? -21.419 -3.229 -6.804 1.00 16.37 ? 649 HOH B O 1 HETATM 6742 O O . HOH R 7 . ? -18.467 -25.245 -22.085 1.00 19.10 ? 650 HOH B O 1 HETATM 6743 O O . HOH R 7 . ? -30.584 -12.011 -16.222 1.00 15.28 ? 651 HOH B O 1 HETATM 6744 O O . HOH R 7 . ? -3.120 -5.975 -4.472 1.00 19.28 ? 652 HOH B O 1 HETATM 6745 O O . HOH R 7 . ? 2.125 1.793 -10.529 1.00 20.10 ? 653 HOH B O 1 HETATM 6746 O O . HOH R 7 . ? -23.578 5.149 -37.500 1.00 18.00 ? 654 HOH B O 1 HETATM 6747 O O . HOH R 7 . ? -19.803 -26.208 -42.657 1.00 18.93 ? 655 HOH B O 1 HETATM 6748 O O . HOH R 7 . ? -28.985 -9.227 -18.991 1.00 16.88 ? 656 HOH B O 1 HETATM 6749 O O . HOH R 7 . ? -34.254 -20.847 -11.429 1.00 17.95 ? 657 HOH B O 1 HETATM 6750 O O . HOH R 7 . ? -9.698 -2.925 -3.084 1.00 15.31 ? 658 HOH B O 1 HETATM 6751 O O . HOH R 7 . ? -9.923 -35.254 -10.995 1.00 18.66 ? 659 HOH B O 1 HETATM 6752 O O . HOH R 7 . ? -6.776 -2.868 0.762 1.00 20.30 ? 660 HOH B O 1 HETATM 6753 O O . HOH R 7 . ? 1.745 -3.002 -22.624 1.00 15.24 ? 661 HOH B O 1 HETATM 6754 O O . HOH R 7 . ? -33.818 -5.966 -18.746 1.00 19.35 ? 662 HOH B O 1 HETATM 6755 O O . HOH R 7 . ? -11.817 -26.992 -7.322 1.00 20.69 ? 663 HOH B O 1 HETATM 6756 O O . HOH R 7 . ? -20.523 -31.257 -26.948 1.00 19.00 ? 664 HOH B O 1 HETATM 6757 O O . HOH R 7 . ? -38.532 -15.677 -15.924 1.00 17.17 ? 665 HOH B O 1 HETATM 6758 O O . HOH R 7 . ? -17.185 -2.302 -16.948 1.00 18.54 ? 666 HOH B O 1 HETATM 6759 O O . HOH R 7 . ? -16.238 -37.260 -24.033 1.00 18.99 ? 667 HOH B O 1 HETATM 6760 O O . HOH R 7 . ? -27.200 -15.841 0.748 1.00 20.05 ? 668 HOH B O 1 HETATM 6761 O O . HOH R 7 . ? -26.892 -13.171 -5.779 1.00 22.02 ? 669 HOH B O 1 HETATM 6762 O O . HOH R 7 . ? -2.663 -18.754 -6.962 1.00 27.20 ? 670 HOH B O 1 HETATM 6763 O O . HOH R 7 . ? -8.722 -32.282 -10.557 1.00 21.84 ? 671 HOH B O 1 HETATM 6764 O O . HOH R 7 . ? -10.356 -29.129 -10.728 1.00 21.42 ? 672 HOH B O 1 HETATM 6765 O O . HOH R 7 . ? -22.983 -18.247 -1.385 1.00 19.38 ? 673 HOH B O 1 HETATM 6766 O O . HOH R 7 . ? -6.589 -7.871 -12.047 1.00 15.75 ? 674 HOH B O 1 HETATM 6767 O O . HOH R 7 . ? -4.684 -14.500 -24.436 1.00 21.45 ? 675 HOH B O 1 HETATM 6768 O O . HOH R 7 . ? -11.450 -15.143 -41.190 1.00 20.24 ? 676 HOH B O 1 HETATM 6769 O O . HOH R 7 . ? 2.807 -12.787 -9.944 1.00 18.26 ? 677 HOH B O 1 HETATM 6770 O O . HOH R 7 . ? -21.086 -26.148 -22.154 1.00 17.11 ? 678 HOH B O 1 HETATM 6771 O O . HOH R 7 . ? -28.157 -22.831 -38.841 1.00 23.54 ? 679 HOH B O 1 HETATM 6772 O O . HOH R 7 . ? -14.825 -39.585 -11.261 1.00 24.43 ? 680 HOH B O 1 HETATM 6773 O O . HOH R 7 . ? -8.557 -28.856 -36.356 1.00 26.38 ? 681 HOH B O 1 HETATM 6774 O O . HOH R 7 . ? -34.250 -15.225 -38.092 1.00 21.05 ? 682 HOH B O 1 HETATM 6775 O O . HOH R 7 . ? -29.099 -28.948 -38.765 1.00 23.64 ? 683 HOH B O 1 HETATM 6776 O O . HOH R 7 . ? -13.833 -8.053 -41.127 1.00 20.51 ? 684 HOH B O 1 HETATM 6777 O O . HOH R 7 . ? -35.281 -34.698 -17.055 1.00 22.04 ? 685 HOH B O 1 HETATM 6778 O O . HOH R 7 . ? -14.987 -40.101 -1.392 1.00 22.68 ? 686 HOH B O 1 HETATM 6779 O O . HOH R 7 . ? 2.838 -6.632 -24.100 1.00 25.50 ? 687 HOH B O 1 HETATM 6780 O O . HOH R 7 . ? -8.588 0.632 -35.353 1.00 27.18 ? 688 HOH B O 1 HETATM 6781 O O . HOH R 7 . ? -14.305 -16.233 -41.976 1.00 17.90 ? 689 HOH B O 1 HETATM 6782 O O . HOH R 7 . ? -0.170 -16.804 -15.228 1.00 22.68 ? 690 HOH B O 1 HETATM 6783 O O . HOH R 7 . ? -17.643 2.463 -17.623 1.00 17.18 ? 691 HOH B O 1 HETATM 6784 O O . HOH R 7 . ? -17.695 -13.982 -31.155 1.00 21.13 ? 692 HOH B O 1 HETATM 6785 O O . HOH R 7 . ? -31.654 -12.839 -5.782 1.00 20.53 ? 693 HOH B O 1 HETATM 6786 O O . HOH R 7 . ? -4.813 -12.974 -38.528 1.00 23.14 ? 694 HOH B O 1 HETATM 6787 O O . HOH R 7 . ? -2.293 -13.802 -22.517 1.00 17.10 ? 695 HOH B O 1 HETATM 6788 O O . HOH R 7 . ? -16.464 -10.409 -46.994 1.00 25.51 ? 696 HOH B O 1 HETATM 6789 O O . HOH R 7 . ? -32.933 -1.900 -23.584 1.00 20.52 ? 697 HOH B O 1 HETATM 6790 O O . HOH R 7 . ? -10.020 -28.731 -38.733 1.00 24.33 ? 698 HOH B O 1 HETATM 6791 O O . HOH R 7 . ? -31.380 -12.257 -20.981 1.00 20.69 ? 699 HOH B O 1 HETATM 6792 O O . HOH R 7 . ? 5.797 -8.929 -21.356 1.00 24.58 ? 700 HOH B O 1 HETATM 6793 O O . HOH R 7 . ? -10.926 1.988 -34.947 1.00 23.13 ? 701 HOH B O 1 HETATM 6794 O O . HOH R 7 . ? -40.245 -22.317 -26.689 1.00 23.44 ? 702 HOH B O 1 HETATM 6795 O O . HOH R 7 . ? -29.070 -16.058 -5.540 1.00 20.10 ? 703 HOH B O 1 HETATM 6796 O O . HOH R 7 . ? -24.902 -36.508 -13.011 1.00 21.34 ? 704 HOH B O 1 HETATM 6797 O O . HOH R 7 . ? -21.693 -45.418 -0.746 1.00 24.93 ? 705 HOH B O 1 HETATM 6798 O O . HOH R 7 . ? -14.920 -38.268 -30.600 1.00 24.45 ? 706 HOH B O 1 HETATM 6799 O O . HOH R 7 . ? -25.804 3.745 -37.800 1.00 21.63 ? 707 HOH B O 1 HETATM 6800 O O . HOH R 7 . ? -1.267 -2.083 -6.889 1.00 17.45 ? 708 HOH B O 1 HETATM 6801 O O . HOH R 7 . ? -34.227 -10.319 -43.185 1.00 28.64 ? 709 HOH B O 1 HETATM 6802 O O . HOH R 7 . ? -33.171 -12.946 -32.480 1.00 19.56 ? 710 HOH B O 1 HETATM 6803 O O . HOH R 7 . ? -33.134 -33.770 -26.629 1.00 24.24 ? 711 HOH B O 1 HETATM 6804 O O . HOH R 7 . ? -8.217 -33.206 -16.307 1.00 27.83 ? 712 HOH B O 1 HETATM 6805 O O . HOH R 7 . ? -23.936 -34.222 -26.438 1.00 20.42 ? 713 HOH B O 1 HETATM 6806 O O . HOH R 7 . ? -23.681 0.310 -13.933 1.00 20.61 ? 714 HOH B O 1 HETATM 6807 O O . HOH R 7 . ? -27.543 -19.720 -39.187 1.00 20.69 ? 715 HOH B O 1 HETATM 6808 O O . HOH R 7 . ? -12.352 1.888 -37.434 1.00 22.88 ? 716 HOH B O 1 HETATM 6809 O O . HOH R 7 . ? -12.302 -5.150 -12.219 1.00 20.02 ? 717 HOH B O 1 HETATM 6810 O O . HOH R 7 . ? -22.970 1.451 -18.290 1.00 20.34 ? 718 HOH B O 1 HETATM 6811 O O . HOH R 7 . ? -11.443 5.142 -28.850 1.00 22.53 ? 719 HOH B O 1 HETATM 6812 O O . HOH R 7 . ? -29.602 2.348 -12.598 1.00 32.39 ? 720 HOH B O 1 HETATM 6813 O O . HOH R 7 . ? -20.338 8.600 -37.913 1.00 25.89 ? 721 HOH B O 1 HETATM 6814 O O . HOH R 7 . ? -5.841 -11.897 -46.133 1.00 25.32 ? 722 HOH B O 1 HETATM 6815 O O . HOH R 7 . ? -36.703 -10.365 -28.289 1.00 21.47 ? 723 HOH B O 1 HETATM 6816 O O . HOH R 7 . ? -30.170 -35.293 -33.421 1.00 27.56 ? 724 HOH B O 1 HETATM 6817 O O . HOH R 7 . ? -15.045 -22.539 -19.766 1.00 27.47 ? 725 HOH B O 1 HETATM 6818 O O . HOH R 7 . ? -36.595 -7.136 -17.525 1.00 24.09 ? 726 HOH B O 1 HETATM 6819 O O . HOH R 7 . ? -14.658 -41.150 1.175 1.00 28.70 ? 727 HOH B O 1 HETATM 6820 O O . HOH R 7 . ? -32.303 -4.237 -17.119 1.00 20.75 ? 728 HOH B O 1 HETATM 6821 O O . HOH R 7 . ? -5.270 -20.410 -11.399 1.00 22.28 ? 729 HOH B O 1 HETATM 6822 O O . HOH R 7 . ? -17.104 -24.191 -20.074 1.00 22.66 ? 730 HOH B O 1 HETATM 6823 O O . HOH R 7 . ? -34.942 -32.792 -28.266 1.00 28.04 ? 731 HOH B O 1 HETATM 6824 O O . HOH R 7 . ? -18.894 -4.640 0.132 1.00 27.23 ? 732 HOH B O 1 HETATM 6825 O O . HOH R 7 . ? -4.026 -1.895 -24.271 1.00 25.46 ? 733 HOH B O 1 HETATM 6826 O O . HOH R 7 . ? -25.874 -32.047 -43.784 1.00 28.96 ? 734 HOH B O 1 HETATM 6827 O O . HOH R 7 . ? -14.588 -41.519 -3.797 1.00 26.46 ? 735 HOH B O 1 HETATM 6828 O O . HOH R 7 . ? -31.016 -10.061 -46.155 1.00 21.96 ? 736 HOH B O 1 HETATM 6829 O O . HOH R 7 . ? -4.674 -25.062 -2.694 1.00 22.53 ? 737 HOH B O 1 HETATM 6830 O O . HOH R 7 . ? -35.618 -12.127 -33.095 1.00 27.95 ? 738 HOH B O 1 HETATM 6831 O O . HOH R 7 . ? -30.498 -12.335 -47.822 1.00 33.32 ? 739 HOH B O 1 HETATM 6832 O O . HOH R 7 . ? 4.855 -15.200 -6.483 1.00 21.61 ? 740 HOH B O 1 HETATM 6833 O O . HOH R 7 . ? -20.221 -24.351 -6.331 1.00 26.19 ? 741 HOH B O 1 HETATM 6834 O O . HOH R 7 . ? -10.403 -12.418 -40.443 1.00 29.09 ? 742 HOH B O 1 HETATM 6835 O O . HOH R 7 . ? -17.184 -30.889 -34.196 1.00 23.51 ? 743 HOH B O 1 HETATM 6836 O O . HOH R 7 . ? -15.571 -26.629 -45.008 1.00 24.03 ? 744 HOH B O 1 HETATM 6837 O O . HOH R 7 . ? 7.282 -3.686 -11.995 1.00 28.24 ? 745 HOH B O 1 HETATM 6838 O O . HOH R 7 . ? -2.454 -11.028 -22.955 1.00 22.40 ? 746 HOH B O 1 HETATM 6839 O O . HOH R 7 . ? 4.588 -12.796 -7.742 1.00 28.46 ? 747 HOH B O 1 HETATM 6840 O O . HOH R 7 . ? -30.194 -7.662 -8.098 1.00 31.94 ? 748 HOH B O 1 HETATM 6841 O O . HOH R 7 . ? -6.155 -18.412 -18.837 1.00 22.46 ? 749 HOH B O 1 HETATM 6842 O O . HOH R 7 . ? -31.268 -28.669 -37.359 1.00 25.91 ? 750 HOH B O 1 HETATM 6843 O O . HOH R 7 . ? -26.395 -35.460 -26.879 1.00 28.31 ? 751 HOH B O 1 HETATM 6844 O O . HOH R 7 . ? -29.724 -12.553 -2.328 1.00 29.12 ? 752 HOH B O 1 HETATM 6845 O O . HOH R 7 . ? -17.341 -40.756 -10.590 1.00 30.35 ? 753 HOH B O 1 HETATM 6846 O O . HOH R 7 . ? -21.671 -14.016 -50.151 1.00 25.05 ? 754 HOH B O 1 HETATM 6847 O O . HOH R 7 . ? -9.707 -27.033 -9.057 1.00 29.10 ? 755 HOH B O 1 HETATM 6848 O O . HOH R 7 . ? -6.123 -16.857 -23.644 1.00 21.42 ? 756 HOH B O 1 HETATM 6849 O O . HOH R 7 . ? -32.202 1.551 -13.187 1.00 26.73 ? 757 HOH B O 1 HETATM 6850 O O . HOH R 7 . ? -21.522 -49.781 1.444 1.00 36.00 ? 758 HOH B O 1 HETATM 6851 O O . HOH R 7 . ? -23.580 -4.607 -5.705 1.00 28.44 ? 759 HOH B O 1 HETATM 6852 O O . HOH R 7 . ? -12.562 -32.023 -20.946 1.00 25.06 ? 760 HOH B O 1 HETATM 6853 O O . HOH R 7 . ? -30.123 -32.844 -9.017 1.00 28.01 ? 761 HOH B O 1 HETATM 6854 O O . HOH R 7 . ? -36.260 -4.395 -17.491 1.00 28.43 ? 762 HOH B O 1 HETATM 6855 O O . HOH R 7 . ? -13.329 -9.378 -15.135 1.00 22.24 ? 763 HOH B O 1 HETATM 6856 O O . HOH R 7 . ? -10.710 -9.986 -39.210 1.00 22.01 ? 764 HOH B O 1 HETATM 6857 O O . HOH R 7 . ? -23.391 7.047 -39.443 1.00 30.75 ? 765 HOH B O 1 HETATM 6858 O O . HOH R 7 . ? -35.043 -12.456 -36.255 1.00 27.74 ? 766 HOH B O 1 HETATM 6859 O O . HOH R 7 . ? -21.550 -23.809 -47.747 1.00 27.77 ? 767 HOH B O 1 HETATM 6860 O O . HOH R 7 . ? 7.340 -15.792 -5.443 1.00 30.41 ? 768 HOH B O 1 HETATM 6861 O O . HOH R 7 . ? -36.102 1.839 -23.712 1.00 31.05 ? 769 HOH B O 1 HETATM 6862 O O . HOH R 7 . ? -26.208 -35.667 -23.940 1.00 28.18 ? 770 HOH B O 1 HETATM 6863 O O . HOH R 7 . ? 1.657 -19.107 -18.966 1.00 29.63 ? 771 HOH B O 1 HETATM 6864 O O . HOH R 7 . ? -19.262 -17.560 -50.226 1.00 37.79 ? 772 HOH B O 1 HETATM 6865 O O . HOH R 7 . ? 1.797 -7.902 -26.340 1.00 24.04 ? 773 HOH B O 1 HETATM 6866 O O . HOH R 7 . ? -22.542 -34.970 -29.164 1.00 28.10 ? 774 HOH B O 1 HETATM 6867 O O . HOH R 7 . ? -7.833 -21.648 -28.594 1.00 30.42 ? 775 HOH B O 1 HETATM 6868 O O . HOH R 7 . ? -10.331 -7.914 -12.447 1.00 24.08 ? 776 HOH B O 1 HETATM 6869 O O . HOH R 7 . ? -11.198 -31.129 -38.458 1.00 29.46 ? 777 HOH B O 1 HETATM 6870 O O . HOH R 7 . ? 2.186 -9.513 -8.184 1.00 30.12 ? 778 HOH B O 1 HETATM 6871 O O . HOH R 7 . ? -31.419 -7.016 -40.801 1.00 28.24 ? 779 HOH B O 1 HETATM 6872 O O . HOH R 7 . ? -35.745 -26.139 -30.291 1.00 24.78 ? 780 HOH B O 1 HETATM 6873 O O . HOH R 7 . ? -30.645 -24.992 -34.966 1.00 31.40 ? 781 HOH B O 1 HETATM 6874 O O . HOH R 7 . ? -26.768 -15.010 -3.653 1.00 29.82 ? 782 HOH B O 1 HETATM 6875 O O . HOH R 7 . ? -37.209 -28.168 -30.784 1.00 29.52 ? 783 HOH B O 1 HETATM 6876 O O . HOH R 7 . ? -34.008 -31.726 -8.945 1.00 35.14 ? 784 HOH B O 1 HETATM 6877 O O . HOH R 7 . ? -35.664 -9.998 -35.070 1.00 31.38 ? 785 HOH B O 1 HETATM 6878 O O . HOH R 7 . ? -10.327 -42.434 5.035 1.00 31.12 ? 786 HOH B O 1 HETATM 6879 O O . HOH R 7 . ? 9.863 -9.852 -15.322 1.00 24.72 ? 787 HOH B O 1 HETATM 6880 O O . HOH R 7 . ? -6.722 -3.269 -36.143 1.00 29.43 ? 788 HOH B O 1 HETATM 6881 O O . HOH R 7 . ? -6.522 -19.490 -44.072 1.00 25.29 ? 789 HOH B O 1 HETATM 6882 O O . HOH R 7 . ? -36.477 -12.111 -30.444 1.00 27.17 ? 790 HOH B O 1 HETATM 6883 O O . HOH R 7 . ? -34.653 -19.774 -2.887 1.00 29.41 ? 791 HOH B O 1 HETATM 6884 O O . HOH R 7 . ? -12.412 -6.984 -15.118 1.00 26.86 ? 792 HOH B O 1 HETATM 6885 O O . HOH R 7 . ? 4.270 -0.067 -10.838 1.00 28.97 ? 793 HOH B O 1 HETATM 6886 O O . HOH R 7 . ? -35.195 -21.197 -29.976 1.00 34.66 ? 794 HOH B O 1 HETATM 6887 O O . HOH R 7 . ? -9.703 -34.267 -4.286 1.00 36.77 ? 795 HOH B O 1 HETATM 6888 O O . HOH R 7 . ? -39.024 -13.335 -30.534 1.00 27.58 ? 796 HOH B O 1 HETATM 6889 O O . HOH R 7 . ? -14.059 -37.947 -21.588 1.00 30.28 ? 797 HOH B O 1 HETATM 6890 O O . HOH R 7 . ? -16.687 -34.097 -39.819 1.00 33.82 ? 798 HOH B O 1 HETATM 6891 O O . HOH R 7 . ? -5.608 -24.842 -16.880 1.00 28.03 ? 799 HOH B O 1 HETATM 6892 O O . HOH R 7 . ? -3.614 -14.785 -37.241 1.00 40.01 ? 800 HOH B O 1 HETATM 6893 O O . HOH R 7 . ? -0.766 -5.484 -24.893 1.00 23.11 ? 801 HOH B O 1 HETATM 6894 O O . HOH R 7 . ? -23.767 -24.960 -48.827 1.00 31.54 ? 802 HOH B O 1 HETATM 6895 O O . HOH R 7 . ? 2.798 -12.506 -27.503 1.00 27.41 ? 803 HOH B O 1 HETATM 6896 O O . HOH R 7 . ? -6.308 0.845 -29.519 1.00 32.75 ? 804 HOH B O 1 HETATM 6897 O O . HOH R 7 . ? -10.554 -31.642 -35.742 1.00 35.54 ? 805 HOH B O 1 HETATM 6898 O O . HOH R 7 . ? -15.510 -37.297 -36.826 1.00 30.08 ? 806 HOH B O 1 HETATM 6899 O O . HOH R 7 . ? -2.038 -2.226 -4.101 1.00 29.58 ? 807 HOH B O 1 HETATM 6900 O O . HOH R 7 . ? -7.351 -18.213 -47.865 1.00 28.28 ? 808 HOH B O 1 HETATM 6901 O O . HOH R 7 . ? -12.446 -39.329 -16.849 1.00 29.40 ? 809 HOH B O 1 HETATM 6902 O O . HOH R 7 . ? -31.136 -21.773 -44.150 1.00 34.38 ? 810 HOH B O 1 HETATM 6903 O O . HOH R 7 . ? -32.740 -31.933 -35.423 1.00 30.18 ? 811 HOH B O 1 HETATM 6904 O O . HOH R 7 . ? -36.481 -22.319 -4.249 1.00 33.63 ? 812 HOH B O 1 HETATM 6905 O O . HOH R 7 . ? -3.351 -16.269 -25.903 1.00 30.01 ? 813 HOH B O 1 HETATM 6906 O O . HOH R 7 . ? -20.509 -37.897 -8.560 1.00 26.93 ? 814 HOH B O 1 HETATM 6907 O O . HOH R 7 . ? -19.112 -38.526 -11.506 1.00 32.69 ? 815 HOH B O 1 HETATM 6908 O O . HOH R 7 . ? -37.480 0.018 -26.241 1.00 33.37 ? 816 HOH B O 1 HETATM 6909 O O . HOH R 7 . ? -41.902 -9.950 -19.195 1.00 32.46 ? 817 HOH B O 1 HETATM 6910 O O . HOH R 7 . ? -38.221 -9.822 -33.011 1.00 27.10 ? 818 HOH B O 1 HETATM 6911 O O . HOH R 7 . ? -8.894 -3.660 -38.370 1.00 30.49 ? 819 HOH B O 1 HETATM 6912 O O . HOH R 7 . ? -31.225 -20.696 -41.222 1.00 36.61 ? 820 HOH B O 1 HETATM 6913 O O . HOH R 7 . ? -30.513 5.789 -36.924 1.00 29.08 ? 821 HOH B O 1 HETATM 6914 O O . HOH R 7 . ? 1.626 -18.741 -16.070 1.00 27.72 ? 822 HOH B O 1 HETATM 6915 O O . HOH R 7 . ? -32.943 -6.607 -34.878 1.00 37.24 ? 823 HOH B O 1 HETATM 6916 O O . HOH R 7 . ? -40.624 -21.014 -20.099 1.00 29.51 ? 824 HOH B O 1 HETATM 6917 O O . HOH R 7 . ? -39.189 -25.090 -7.996 1.00 32.30 ? 825 HOH B O 1 HETATM 6918 O O . HOH R 7 . ? -30.431 -16.967 2.484 1.00 27.93 ? 826 HOH B O 1 HETATM 6919 O O . HOH R 7 . ? -24.421 1.076 -45.745 1.00 39.91 ? 827 HOH B O 1 HETATM 6920 O O . HOH R 7 . ? 0.630 -21.267 -20.229 1.00 35.15 ? 828 HOH B O 1 HETATM 6921 O O . HOH R 7 . ? -31.713 -4.679 -36.804 1.00 38.94 ? 829 HOH B O 1 HETATM 6922 O O . HOH R 7 . ? -14.836 -46.087 0.663 1.00 33.14 ? 830 HOH B O 1 HETATM 6923 O O . HOH R 7 . ? -13.026 -22.225 -49.946 1.00 39.21 ? 831 HOH B O 1 HETATM 6924 O O . HOH R 7 . ? 5.074 -8.183 -23.735 1.00 37.30 ? 832 HOH B O 1 HETATM 6925 O O . HOH R 7 . ? -33.615 -10.491 -45.889 1.00 27.96 ? 833 HOH B O 1 HETATM 6926 O O . HOH R 7 . ? -4.223 -15.970 -28.545 1.00 30.32 ? 834 HOH B O 1 HETATM 6927 O O . HOH R 7 . ? -24.724 -43.146 -5.031 1.00 36.69 ? 835 HOH B O 1 HETATM 6928 O O . HOH R 7 . ? -36.816 -18.647 -31.240 1.00 29.39 ? 836 HOH B O 1 HETATM 6929 O O . HOH R 7 . ? -42.247 -19.699 -23.733 1.00 35.95 ? 837 HOH B O 1 HETATM 6930 O O . HOH R 7 . ? -1.514 -1.137 -23.666 1.00 28.95 ? 838 HOH B O 1 HETATM 6931 O O . HOH R 7 . ? 6.984 1.858 -20.826 1.00 29.48 ? 839 HOH B O 1 HETATM 6932 O O . HOH R 7 . ? -29.193 -12.237 -5.002 1.00 28.19 ? 840 HOH B O 1 HETATM 6933 O O . HOH R 7 . ? -15.959 -42.191 -16.703 1.00 38.60 ? 841 HOH B O 1 HETATM 6934 O O . HOH R 7 . ? -22.222 -28.963 -47.869 1.00 32.72 ? 842 HOH B O 1 HETATM 6935 O O . HOH R 7 . ? -4.983 -23.647 -36.386 1.00 39.94 ? 843 HOH B O 1 HETATM 6936 O O . HOH R 7 . ? -23.721 -18.072 -50.397 1.00 37.46 ? 844 HOH B O 1 HETATM 6937 O O . HOH R 7 . ? -20.481 -45.667 -3.267 1.00 40.92 ? 845 HOH B O 1 HETATM 6938 O O . HOH R 7 . ? 3.276 -4.018 -24.490 1.00 30.86 ? 846 HOH B O 1 HETATM 6939 O O . HOH R 7 . ? 3.965 -18.158 -20.040 1.00 35.19 ? 847 HOH B O 1 HETATM 6940 O O . HOH R 7 . ? 0.583 -23.382 -18.245 1.00 37.78 ? 848 HOH B O 1 HETATM 6941 O O . HOH R 7 . ? -13.486 -41.268 -12.708 1.00 33.25 ? 849 HOH B O 1 HETATM 6942 O O . HOH R 7 . ? -10.292 -35.572 -22.423 1.00 31.75 ? 850 HOH B O 1 HETATM 6943 O O . HOH R 7 . ? -22.396 -37.680 -10.600 1.00 34.82 ? 851 HOH B O 1 HETATM 6944 O O . HOH R 7 . ? -39.552 -32.446 -12.513 1.00 41.52 ? 852 HOH B O 1 HETATM 6945 O O . HOH R 7 . ? -2.197 -7.912 -29.427 1.00 27.01 ? 853 HOH B O 1 HETATM 6946 O O . HOH R 7 . ? -10.383 -33.114 -23.655 1.00 36.51 ? 854 HOH B O 1 HETATM 6947 O O . HOH R 7 . ? -36.864 -23.520 -30.058 1.00 37.08 ? 855 HOH B O 1 HETATM 6948 O O . HOH R 7 . ? -4.628 -24.271 -5.697 1.00 33.20 ? 856 HOH B O 1 HETATM 6949 O O . HOH R 7 . ? -23.791 -12.360 -48.121 1.00 32.17 ? 857 HOH B O 1 HETATM 6950 O O . HOH R 7 . ? -40.361 -20.863 -11.195 1.00 33.37 ? 858 HOH B O 1 HETATM 6951 O O . HOH R 7 . ? -30.536 -27.520 -1.136 1.00 33.06 ? 859 HOH B O 1 HETATM 6952 O O . HOH R 7 . ? -18.223 -26.987 -44.818 1.00 31.69 ? 860 HOH B O 1 HETATM 6953 O O . HOH R 7 . ? -4.539 -16.925 -20.881 1.00 34.85 ? 861 HOH B O 1 HETATM 6954 O O . HOH R 7 . ? -10.049 -37.377 -17.447 1.00 47.10 ? 862 HOH B O 1 HETATM 6955 O O . HOH R 7 . ? -43.193 -11.707 -28.314 1.00 41.30 ? 863 HOH B O 1 HETATM 6956 O O . HOH R 7 . ? -9.113 -25.513 -44.758 1.00 36.66 ? 864 HOH B O 1 HETATM 6957 O O . HOH R 7 . ? -17.511 -43.046 -12.377 1.00 46.16 ? 865 HOH B O 1 HETATM 6958 O O . HOH R 7 . ? -7.065 -25.342 -35.151 1.00 40.65 ? 866 HOH B O 1 HETATM 6959 O O . HOH R 7 . ? -34.666 -17.957 -37.073 1.00 35.03 ? 867 HOH B O 1 HETATM 6960 O O . HOH R 7 . ? -2.460 0.233 -28.266 1.00 36.99 ? 868 HOH B O 1 HETATM 6961 O O . HOH R 7 . ? -27.916 -25.940 -45.112 1.00 34.49 ? 869 HOH B O 1 HETATM 6962 O O . HOH R 7 . ? -41.869 -32.546 -23.040 1.00 39.34 ? 870 HOH B O 1 HETATM 6963 O O . HOH R 7 . ? -21.442 -18.918 -51.842 1.00 40.06 ? 871 HOH B O 1 HETATM 6964 O O . HOH R 7 . ? -9.573 -12.896 -43.542 1.00 31.31 ? 872 HOH B O 1 HETATM 6965 O O . HOH R 7 . ? -3.008 -20.999 -10.355 1.00 26.85 ? 873 HOH B O 1 HETATM 6966 O O . HOH R 7 . ? -30.607 -6.550 -44.996 1.00 36.54 ? 874 HOH B O 1 HETATM 6967 O O . HOH R 7 . ? -40.585 -11.582 -29.223 1.00 36.45 ? 875 HOH B O 1 HETATM 6968 O O . HOH R 7 . ? -19.254 -25.537 -47.356 1.00 47.00 ? 876 HOH B O 1 HETATM 6969 O O . HOH R 7 . ? -29.001 -2.739 -39.634 1.00 36.21 ? 877 HOH B O 1 HETATM 6970 O O . HOH R 7 . ? -38.363 -32.879 -24.951 1.00 42.64 ? 878 HOH B O 1 HETATM 6971 O O . HOH R 7 . ? 4.570 -17.798 -22.596 1.00 30.34 ? 879 HOH B O 1 HETATM 6972 O O . HOH R 7 . ? -30.773 -14.983 -46.740 1.00 29.65 ? 880 HOH B O 1 HETATM 6973 O O . HOH R 7 . ? -17.843 -44.531 -4.299 1.00 38.58 ? 881 HOH B O 1 HETATM 6974 O O . HOH R 7 . ? 1.876 -22.591 -15.819 1.00 36.01 ? 882 HOH B O 1 HETATM 6975 O O . HOH R 7 . ? -9.986 -1.583 -39.528 1.00 37.54 ? 883 HOH B O 1 HETATM 6976 O O . HOH R 7 . ? -19.961 -42.122 -17.227 1.00 36.31 ? 884 HOH B O 1 HETATM 6977 O O . HOH R 7 . ? -24.883 -16.543 -3.308 1.00 29.59 ? 885 HOH B O 1 HETATM 6978 O O . HOH R 7 . ? -12.545 -39.186 -9.578 1.00 31.45 ? 886 HOH B O 1 HETATM 6979 O O . HOH R 7 . ? -8.230 4.229 -29.321 1.00 36.86 ? 887 HOH B O 1 HETATM 6980 O O . HOH R 7 . ? -6.711 1.981 -33.510 1.00 37.27 ? 888 HOH B O 1 HETATM 6981 O O . HOH R 7 . ? -22.969 -47.911 -3.043 1.00 51.62 ? 889 HOH B O 1 HETATM 6982 O O . HOH R 7 . ? -26.210 -3.534 -6.184 1.00 45.17 ? 890 HOH B O 1 HETATM 6983 O O . HOH R 7 . ? -28.880 -17.523 -52.186 1.00 39.97 ? 891 HOH B O 1 HETATM 6984 O O . HOH R 7 . ? -30.111 -36.554 -28.344 1.00 34.30 ? 892 HOH B O 1 HETATM 6985 O O . HOH R 7 . ? -12.791 -34.617 -39.399 1.00 42.66 ? 893 HOH B O 1 HETATM 6986 O O . HOH R 7 . ? -7.041 -21.645 -46.206 1.00 40.10 ? 894 HOH B O 1 HETATM 6987 O O . HOH R 7 . ? -20.465 -26.715 -6.640 1.00 28.86 ? 895 HOH B O 1 HETATM 6988 O O . HOH R 7 . ? -40.236 -23.804 -19.358 1.00 36.35 ? 896 HOH B O 1 HETATM 6989 O O . HOH R 7 . ? -2.990 0.698 -31.341 1.00 38.29 ? 897 HOH B O 1 HETATM 6990 O O . HOH R 7 . ? -6.121 -18.473 -30.384 1.00 29.00 ? 898 HOH B O 1 HETATM 6991 O O . HOH R 7 . ? -39.587 -26.839 -31.398 1.00 38.25 ? 899 HOH B O 1 HETATM 6992 O O . HOH R 7 . ? -10.686 -34.667 -16.786 1.00 35.24 ? 900 HOH B O 1 HETATM 6993 O O . HOH R 7 . ? -41.189 -8.593 -21.834 1.00 37.01 ? 901 HOH B O 1 HETATM 6994 O O . HOH R 7 . ? -32.376 -3.063 -9.791 1.00 46.12 ? 902 HOH B O 1 HETATM 6995 O O . HOH R 7 . ? -12.618 -39.733 -4.762 1.00 38.89 ? 903 HOH B O 1 HETATM 6996 O O . HOH R 7 . ? -36.648 -30.203 -32.633 1.00 38.39 ? 904 HOH B O 1 HETATM 6997 O O . HOH R 7 . ? -20.526 -21.515 -51.465 1.00 41.37 ? 905 HOH B O 1 HETATM 6998 O O . HOH R 7 . ? -10.953 -23.809 -47.910 1.00 38.85 ? 906 HOH B O 1 HETATM 6999 O O . HOH R 7 . ? -24.118 -15.420 -51.066 1.00 40.66 ? 907 HOH B O 1 HETATM 7000 O O . HOH R 7 . ? 2.432 4.189 -20.800 1.00 32.12 ? 908 HOH B O 1 HETATM 7001 O O . HOH R 7 . ? -9.786 -30.367 -6.371 1.00 46.08 ? 909 HOH B O 1 HETATM 7002 O O . HOH R 7 . ? -3.970 -20.588 -33.290 1.00 41.88 ? 910 HOH B O 1 HETATM 7003 O O . HOH R 7 . ? -26.420 -39.104 -16.176 1.00 45.76 ? 911 HOH B O 1 HETATM 7004 O O . HOH R 7 . ? -39.652 -8.144 -12.336 1.00 40.24 ? 912 HOH B O 1 HETATM 7005 O O . HOH R 7 . ? -12.158 -26.136 -46.459 1.00 39.38 ? 913 HOH B O 1 HETATM 7006 O O . HOH R 7 . ? -11.453 -37.042 -27.254 1.00 35.34 ? 914 HOH B O 1 HETATM 7007 O O . HOH R 7 . ? -9.079 -25.827 -26.507 1.00 37.76 ? 915 HOH B O 1 HETATM 7008 O O . HOH R 7 . ? -0.338 -6.243 -27.669 1.00 38.97 ? 916 HOH B O 1 HETATM 7009 O O . HOH R 7 . ? -42.491 -21.577 -16.977 1.00 37.37 ? 917 HOH B O 1 HETATM 7010 O O . HOH R 7 . ? 6.006 -3.293 -23.867 1.00 35.34 ? 918 HOH B O 1 HETATM 7011 O O . HOH R 7 . ? -19.434 -31.254 -3.484 1.00 27.58 ? 919 HOH B O 1 HETATM 7012 O O . HOH R 7 . ? -34.119 -18.839 -47.091 1.00 47.92 ? 920 HOH B O 1 HETATM 7013 O O . HOH R 7 . ? -19.137 -3.235 -5.066 1.00 34.08 ? 921 HOH B O 1 HETATM 7014 O O . HOH R 7 . ? -5.504 2.949 -27.744 1.00 33.84 ? 922 HOH B O 1 HETATM 7015 O O . HOH R 7 . ? -26.670 -28.500 -48.894 1.00 44.05 ? 923 HOH B O 1 HETATM 7016 O O . HOH R 7 . ? -18.740 -37.647 -22.776 1.00 32.63 ? 924 HOH B O 1 HETATM 7017 O O . HOH R 7 . ? -15.172 -20.222 -49.979 1.00 40.79 ? 925 HOH B O 1 HETATM 7018 O O . HOH R 7 . ? -4.974 -26.676 -7.117 1.00 40.84 ? 926 HOH B O 1 HETATM 7019 O O . HOH R 7 . ? -43.701 -25.710 -28.527 1.00 41.51 ? 927 HOH B O 1 HETATM 7020 O O . HOH R 7 . ? -10.044 -7.727 -40.518 1.00 44.94 ? 928 HOH B O 1 HETATM 7021 O O . HOH R 7 . ? -3.507 -11.052 -36.813 1.00 43.17 ? 929 HOH B O 1 HETATM 7022 O O . HOH R 7 . ? -36.250 -36.719 -18.998 1.00 48.70 ? 930 HOH B O 1 HETATM 7023 O O . HOH R 7 . ? 10.397 -12.008 -13.498 1.00 37.90 ? 931 HOH B O 1 HETATM 7024 O O . HOH R 7 . ? -22.969 -8.720 -5.255 1.00 39.19 ? 932 HOH B O 1 HETATM 7025 O O . HOH R 7 . ? -7.833 -27.159 -41.124 1.00 34.23 ? 933 HOH B O 1 HETATM 7026 O O . HOH R 7 . ? -17.546 -30.264 -43.418 1.00 47.57 ? 934 HOH B O 1 HETATM 7027 O O . HOH R 7 . ? -25.464 -13.934 -49.370 1.00 38.07 ? 935 HOH B O 1 HETATM 7028 O O . HOH R 7 . ? -13.135 -43.896 -2.920 1.00 43.54 ? 936 HOH B O 1 HETATM 7029 O O . HOH R 7 . ? -43.880 -8.218 -22.849 1.00 37.00 ? 937 HOH B O 1 HETATM 7030 O O . HOH R 7 . ? -30.659 -7.756 -47.745 1.00 45.33 ? 938 HOH B O 1 HETATM 7031 O O . HOH R 7 . ? -33.175 -9.104 -7.300 1.00 37.53 ? 939 HOH B O 1 HETATM 7032 O O . HOH R 7 . ? -26.402 10.869 -37.027 1.00 31.62 ? 940 HOH B O 1 HETATM 7033 O O . HOH R 7 . ? -38.479 -9.853 -19.963 1.00 35.29 ? 941 HOH B O 1 HETATM 7034 O O . HOH R 7 . ? -32.980 -36.463 -27.641 1.00 41.71 ? 942 HOH B O 1 HETATM 7035 O O . HOH R 7 . ? -24.389 -39.289 -13.576 1.00 38.01 ? 943 HOH B O 1 HETATM 7036 O O . HOH R 7 . ? -30.194 -5.297 -38.526 1.00 36.49 ? 944 HOH B O 1 HETATM 7037 O O . HOH R 7 . ? -3.796 -6.285 -38.062 1.00 43.83 ? 945 HOH B O 1 HETATM 7038 O O . HOH R 7 . ? -39.363 -22.243 -29.251 1.00 35.73 ? 946 HOH B O 1 HETATM 7039 O O . HOH R 7 . ? -4.563 -15.349 -44.682 1.00 30.55 ? 947 HOH B O 1 HETATM 7040 O O . HOH R 7 . ? -16.038 -39.427 -20.420 1.00 37.56 ? 948 HOH B O 1 HETATM 7041 O O . HOH R 7 . ? -42.248 -28.175 -13.489 1.00 41.16 ? 949 HOH B O 1 HETATM 7042 O O . HOH R 7 . ? -12.434 -37.895 -31.803 1.00 48.45 ? 950 HOH B O 1 HETATM 7043 O O . HOH R 7 . ? -5.314 -25.152 -32.995 1.00 44.56 ? 951 HOH B O 1 HETATM 7044 O O . HOH R 7 . ? -23.302 -35.274 -33.396 1.00 47.76 ? 952 HOH B O 1 HETATM 7045 O O . HOH R 7 . ? 9.468 -11.626 -20.613 1.00 40.88 ? 953 HOH B O 1 HETATM 7046 O O . HOH R 7 . ? -26.767 1.801 -10.752 1.00 39.13 ? 954 HOH B O 1 HETATM 7047 O O . HOH R 7 . ? -21.060 8.024 -40.785 1.00 36.29 ? 955 HOH B O 1 HETATM 7048 O O . HOH R 7 . ? -32.898 -16.323 -47.922 1.00 42.54 ? 956 HOH B O 1 HETATM 7049 O O . HOH R 7 . ? -1.665 -21.083 -21.735 1.00 46.36 ? 957 HOH B O 1 HETATM 7050 O O . HOH R 7 . ? 4.422 -18.936 -15.414 1.00 36.77 ? 958 HOH B O 1 HETATM 7051 O O . HOH R 7 . ? -31.008 -1.099 -30.209 1.00 34.92 ? 959 HOH B O 1 HETATM 7052 O O . HOH R 7 . ? -6.398 -27.432 -36.837 1.00 40.53 ? 960 HOH B O 1 HETATM 7053 O O . HOH R 7 . ? 6.928 -13.161 1.017 1.00 36.34 ? 961 HOH B O 1 HETATM 7054 O O . HOH R 7 . ? -22.677 -37.539 -27.994 1.00 45.02 ? 962 HOH B O 1 HETATM 7055 O O . HOH R 7 . ? -27.233 3.154 -40.263 1.00 59.74 ? 963 HOH B O 1 HETATM 7056 O O . HOH R 7 . ? -28.195 -13.808 -48.835 1.00 47.71 ? 964 HOH B O 1 HETATM 7057 O O . HOH R 7 . ? -32.677 2.852 -36.916 1.00 36.01 ? 965 HOH B O 1 HETATM 7058 O O . HOH R 7 . ? -2.701 -24.210 -18.013 1.00 51.81 ? 966 HOH B O 1 HETATM 7059 O O . HOH R 7 . ? -30.071 -18.416 -49.568 1.00 38.52 ? 967 HOH B O 1 HETATM 7060 O O . HOH R 7 . ? -25.592 0.962 -43.312 1.00 38.78 ? 968 HOH B O 1 HETATM 7061 O O . HOH R 7 . ? 6.898 -6.080 -9.560 1.00 37.38 ? 969 HOH B O 1 HETATM 7062 O O . HOH R 7 . ? -34.117 -24.929 -34.756 1.00 40.82 ? 970 HOH B O 1 HETATM 7063 O O . HOH R 7 . ? -11.281 0.571 -39.492 1.00 45.98 ? 971 HOH B O 1 HETATM 7064 O O . HOH R 7 . ? -42.083 -15.659 -31.735 1.00 43.20 ? 972 HOH B O 1 HETATM 7065 O O . HOH R 7 . ? -33.096 -34.574 -34.465 1.00 61.26 ? 973 HOH B O 1 HETATM 7066 O O . HOH R 7 . ? -12.722 -41.390 -15.180 1.00 42.38 ? 974 HOH B O 1 HETATM 7067 O O . HOH R 7 . ? -5.304 -18.683 -25.886 1.00 52.78 ? 975 HOH B O 1 HETATM 7068 O O . HOH R 7 . ? 3.319 3.501 -8.496 1.00 40.50 ? 976 HOH B O 1 HETATM 7069 O O . HOH R 7 . ? -25.093 -7.829 -50.410 1.00 47.61 ? 977 HOH B O 1 HETATM 7070 O O . HOH R 7 . ? -33.781 -31.917 -32.884 1.00 47.36 ? 978 HOH B O 1 HETATM 7071 O O . HOH R 7 . ? -4.701 -22.464 -18.785 1.00 44.46 ? 979 HOH B O 1 HETATM 7072 O O . HOH R 7 . ? -34.594 -36.112 -21.355 1.00 47.04 ? 980 HOH B O 1 HETATM 7073 O O . HOH R 7 . ? -10.195 -40.545 -10.440 1.00 46.19 ? 981 HOH B O 1 HETATM 7074 O O . HOH R 7 . ? 4.408 -4.386 -5.740 1.00 46.00 ? 982 HOH B O 1 HETATM 7075 O O . HOH R 7 . ? -33.128 -23.470 1.868 1.00 22.20 ? 983 HOH B O 1 HETATM 7076 O O . HOH R 7 . ? -13.789 -38.663 -7.148 1.00 23.25 ? 984 HOH B O 1 HETATM 7077 O O . HOH R 7 . ? -14.040 -21.651 -17.035 1.00 30.82 ? 985 HOH B O 1 HETATM 7078 O O . HOH R 7 . ? 12.446 -12.190 -21.049 1.00 44.85 ? 986 HOH B O 1 HETATM 7079 O O . HOH R 7 . ? 8.484 -15.170 -2.651 1.00 40.07 ? 987 HOH B O 1 HETATM 7080 O O . HOH R 7 . ? -12.014 -22.374 -15.757 1.00 33.14 ? 988 HOH B O 1 HETATM 7081 O O . HOH R 7 . ? -19.839 -4.857 -3.215 1.00 38.99 ? 989 HOH B O 1 HETATM 7082 O O . HOH R 7 . ? -45.053 -13.611 -12.467 1.00 35.85 ? 990 HOH B O 1 HETATM 7083 O O . HOH R 7 . ? -36.164 -23.684 -1.735 1.00 31.42 ? 991 HOH B O 1 HETATM 7084 O O . HOH R 7 . ? -28.941 5.010 -39.016 1.00 45.80 ? 992 HOH B O 1 HETATM 7085 O O . HOH R 7 . ? 4.981 -19.585 -12.285 1.00 37.21 ? 993 HOH B O 1 HETATM 7086 O O . HOH R 7 . ? -9.468 -29.255 -28.995 1.00 41.06 ? 994 HOH B O 1 HETATM 7087 O O . HOH R 7 . ? -14.885 -38.437 -27.118 1.00 34.32 ? 995 HOH B O 1 HETATM 7088 O O . HOH R 7 . ? -2.563 -24.326 -10.527 1.00 35.27 ? 996 HOH B O 1 HETATM 7089 O O . HOH R 7 . ? -21.685 -0.595 -5.941 1.00 43.32 ? 997 HOH B O 1 HETATM 7090 O O . HOH R 7 . ? -5.638 -21.889 -30.534 1.00 40.66 ? 998 HOH B O 1 HETATM 7091 O O . HOH R 7 . ? -10.504 -36.370 -31.125 1.00 50.76 ? 999 HOH B O 1 HETATM 7092 O O . HOH R 7 . ? -27.105 1.761 -47.697 1.00 50.45 ? 1000 HOH B O 1 HETATM 7093 O O . HOH R 7 . ? -36.381 -14.230 0.095 1.00 44.04 ? 1001 HOH B O 1 HETATM 7094 O O . HOH R 7 . ? -45.094 -6.312 -24.659 1.00 44.89 ? 1002 HOH B O 1 HETATM 7095 O O . HOH R 7 . ? -19.039 -35.468 -39.257 1.00 39.98 ? 1003 HOH B O 1 HETATM 7096 O O . HOH R 7 . ? -8.116 -23.219 -26.501 1.00 44.34 ? 1004 HOH B O 1 HETATM 7097 O O . HOH R 7 . ? 7.475 -6.132 -21.597 1.00 37.03 ? 1005 HOH B O 1 HETATM 7098 O O . HOH R 7 . ? -37.437 -33.866 -27.314 1.00 44.35 ? 1006 HOH B O 1 HETATM 7099 O O . HOH R 7 . ? -7.528 -29.067 -18.910 1.00 45.42 ? 1007 HOH B O 1 HETATM 7100 O O . HOH R 7 . ? -20.907 -40.850 -8.146 1.00 36.30 ? 1008 HOH B O 1 HETATM 7101 O O . HOH R 7 . ? -39.179 -16.646 -7.034 1.00 37.98 ? 1009 HOH B O 1 HETATM 7102 O O . HOH R 7 . ? -12.220 -47.317 2.996 1.00 40.29 ? 1010 HOH B O 1 HETATM 7103 O O . HOH R 7 . ? -27.130 -1.388 -44.060 1.00 45.67 ? 1011 HOH B O 1 HETATM 7104 O O . HOH R 7 . ? -7.831 -26.245 -18.939 1.00 37.92 ? 1012 HOH B O 1 HETATM 7105 O O . HOH R 7 . ? -42.701 -23.053 -27.852 1.00 37.91 ? 1013 HOH B O 1 HETATM 7106 O O . HOH R 7 . ? -34.229 -8.081 -41.614 1.00 53.50 ? 1014 HOH B O 1 HETATM 7107 O O . HOH R 7 . ? -31.001 -33.460 -11.705 1.00 39.94 ? 1015 HOH B O 1 HETATM 7108 O O . HOH R 7 . ? -13.879 -38.952 -24.302 1.00 46.74 ? 1016 HOH B O 1 HETATM 7109 O O . HOH R 7 . ? -21.627 -39.313 -20.588 1.00 43.96 ? 1017 HOH B O 1 HETATM 7110 O O . HOH R 7 . ? -31.552 -36.734 -30.935 1.00 45.82 ? 1018 HOH B O 1 HETATM 7111 O O . HOH R 7 . ? -10.263 -37.518 -9.483 1.00 45.22 ? 1019 HOH B O 1 HETATM 7112 O O . HOH R 7 . ? -38.220 -20.031 -3.852 1.00 41.23 ? 1020 HOH B O 1 HETATM 7113 O O . HOH R 7 . ? -7.821 -32.103 -4.350 1.00 46.83 ? 1021 HOH B O 1 HETATM 7114 O O . HOH R 7 . ? -9.240 -33.765 -31.985 1.00 43.46 ? 1022 HOH B O 1 HETATM 7115 O O . HOH R 7 . ? 11.249 -9.892 -17.907 1.00 40.27 ? 1023 HOH B O 1 HETATM 7116 O O . HOH R 7 . ? -46.038 -12.438 -22.284 1.00 46.91 ? 1024 HOH B O 1 HETATM 7117 O O . HOH R 7 . ? -11.391 -36.331 -34.257 1.00 53.47 ? 1025 HOH B O 1 HETATM 7118 O O . HOH R 7 . ? -7.209 -24.879 -42.734 1.00 44.87 ? 1026 HOH B O 1 HETATM 7119 O O . HOH R 7 . ? -7.076 -11.123 -39.701 1.00 41.12 ? 1027 HOH B O 1 HETATM 7120 O O . HOH R 7 . ? -22.024 -5.635 -48.286 1.00 40.52 ? 1028 HOH B O 1 HETATM 7121 O O . HOH R 7 . ? -0.686 2.284 -21.426 1.00 39.30 ? 1029 HOH B O 1 HETATM 7122 O O . HOH R 7 . ? -36.920 -14.268 -38.340 1.00 36.50 ? 1030 HOH B O 1 HETATM 7123 O O . HOH R 7 . ? 9.602 -1.804 -16.163 1.00 41.96 ? 1031 HOH B O 1 HETATM 7124 O O . HOH R 7 . ? -24.577 0.479 -48.499 1.00 51.68 ? 1032 HOH B O 1 HETATM 7125 O O . HOH R 7 . ? -42.410 -10.065 -31.078 1.00 55.20 ? 1033 HOH B O 1 HETATM 7126 O O . HOH R 7 . ? 0.658 -14.535 -30.224 1.00 48.34 ? 1034 HOH B O 1 HETATM 7127 O O . HOH R 7 . ? -12.271 -28.878 -44.676 1.00 47.28 ? 1035 HOH B O 1 HETATM 7128 O O . HOH R 7 . ? -0.845 -12.692 -31.782 1.00 52.95 ? 1036 HOH B O 1 HETATM 7129 O O . HOH R 7 . ? -24.136 4.566 -48.917 1.00 55.15 ? 1037 HOH B O 1 HETATM 7130 O O . HOH R 7 . ? -25.585 -39.404 -22.786 1.00 45.44 ? 1038 HOH B O 1 HETATM 7131 O O . HOH R 7 . ? -33.724 0.652 -24.735 1.00 49.09 ? 1039 HOH B O 1 HETATM 7132 O O . HOH R 7 . ? -2.432 -17.024 -43.065 1.00 49.07 ? 1040 HOH B O 1 HETATM 7133 O O . HOH R 7 . ? -7.659 -28.531 -7.805 1.00 44.25 ? 1041 HOH B O 1 HETATM 7134 O O . HOH R 7 . ? 0.291 -24.300 -9.862 1.00 54.43 ? 1042 HOH B O 1 HETATM 7135 O O . HOH R 7 . ? -29.568 -35.926 -12.557 1.00 49.59 ? 1043 HOH B O 1 HETATM 7136 O O . HOH R 7 . ? -6.339 -5.024 -38.523 1.00 49.93 ? 1044 HOH B O 1 HETATM 7137 O O . HOH R 7 . ? -31.384 -1.185 -39.065 1.00 45.44 ? 1045 HOH B O 1 HETATM 7138 O O . HOH R 7 . ? -41.359 -29.793 -15.854 1.00 44.20 ? 1046 HOH B O 1 HETATM 7139 O O . HOH R 7 . ? -22.622 2.965 -47.211 1.00 60.78 ? 1047 HOH B O 1 HETATM 7140 O O . HOH R 7 . ? 7.995 -11.873 -5.832 1.00 43.45 ? 1048 HOH B O 1 HETATM 7141 O O . HOH R 7 . ? -9.923 -31.004 -21.488 1.00 38.98 ? 1049 HOH B O 1 HETATM 7142 O O . HOH R 7 . ? -27.441 -36.754 -14.464 1.00 42.36 ? 1050 HOH B O 1 HETATM 7143 O O . HOH R 7 . ? -33.373 -5.022 -41.585 1.00 43.91 ? 1051 HOH B O 1 HETATM 7144 O O . HOH R 7 . ? -25.378 3.653 -46.315 1.00 60.33 ? 1052 HOH B O 1 HETATM 7145 O O . HOH R 7 . ? -39.370 -31.500 -31.701 1.00 45.78 ? 1053 HOH B O 1 HETATM 7146 O O . HOH R 7 . ? -40.053 -5.053 -34.659 1.00 47.76 ? 1054 HOH B O 1 HETATM 7147 O O . HOH R 7 . ? -21.813 5.894 -48.064 1.00 54.32 ? 1055 HOH B O 1 HETATM 7148 O O . HOH R 7 . ? -36.572 -8.682 -38.613 1.00 48.56 ? 1056 HOH B O 1 HETATM 7149 O O . HOH R 7 . ? -41.911 -22.647 -9.645 1.00 48.37 ? 1057 HOH B O 1 HETATM 7150 O O . HOH R 7 . ? -15.136 -43.182 -14.012 1.00 55.71 ? 1058 HOH B O 1 HETATM 7151 O O . HOH R 7 . ? -11.349 -42.677 -0.120 1.00 51.74 ? 1059 HOH B O 1 HETATM 7152 O O . HOH R 7 . ? -38.333 -3.709 -32.925 1.00 42.99 ? 1060 HOH B O 1 HETATM 7153 O O . HOH R 7 . ? -30.958 -16.910 -54.306 1.00 52.25 ? 1061 HOH B O 1 HETATM 7154 O O . HOH R 7 . ? -24.663 -40.396 -18.051 1.00 57.49 ? 1062 HOH B O 1 HETATM 7155 O O . HOH R 7 . ? -44.085 -8.951 -28.878 1.00 42.71 ? 1063 HOH B O 1 HETATM 7156 O O . HOH R 7 . ? 5.471 -8.058 -8.071 1.00 38.16 ? 1064 HOH B O 1 HETATM 7157 O O . HOH R 7 . ? -15.360 -39.475 -34.897 1.00 44.17 ? 1065 HOH B O 1 HETATM 7158 O O . HOH R 7 . ? -28.088 -37.927 -22.167 1.00 49.76 ? 1066 HOH B O 1 HETATM 7159 O O . HOH R 7 . ? -32.948 0.384 -10.522 1.00 46.14 ? 1067 HOH B O 1 HETATM 7160 O O . HOH R 7 . ? -35.351 -33.357 -31.035 1.00 45.63 ? 1068 HOH B O 1 HETATM 7161 O O . HOH R 7 . ? -38.279 -13.125 -33.181 1.00 43.23 ? 1069 HOH B O 1 HETATM 7162 O O . HOH R 7 . ? -41.811 -6.266 -18.468 1.00 48.64 ? 1070 HOH B O 1 HETATM 7163 O O . HOH R 7 . ? -13.586 -50.061 3.047 1.00 49.92 ? 1071 HOH B O 1 HETATM 7164 O O . HOH R 7 . ? -0.477 -2.302 -27.818 1.00 46.71 ? 1072 HOH B O 1 HETATM 7165 O O . HOH R 7 . ? -33.939 -19.429 -42.386 1.00 52.35 ? 1073 HOH B O 1 HETATM 7166 O O . HOH R 7 . ? -12.663 -36.399 -36.951 1.00 60.94 ? 1074 HOH B O 1 HETATM 7167 O O . HOH R 7 . ? -20.753 -42.872 -6.202 1.00 55.72 ? 1075 HOH B O 1 # loop_ _atom_site_anisotrop.id _atom_site_anisotrop.type_symbol _atom_site_anisotrop.pdbx_label_atom_id _atom_site_anisotrop.pdbx_label_alt_id _atom_site_anisotrop.pdbx_label_comp_id _atom_site_anisotrop.pdbx_label_asym_id _atom_site_anisotrop.pdbx_label_seq_id _atom_site_anisotrop.pdbx_PDB_ins_code _atom_site_anisotrop.U[1][1] _atom_site_anisotrop.U[2][2] _atom_site_anisotrop.U[3][3] _atom_site_anisotrop.U[1][2] _atom_site_anisotrop.U[1][3] _atom_site_anisotrop.U[2][3] _atom_site_anisotrop.pdbx_auth_seq_id _atom_site_anisotrop.pdbx_auth_comp_id _atom_site_anisotrop.pdbx_auth_asym_id _atom_site_anisotrop.pdbx_auth_atom_id 1 N N . VAL A 1 ? 0.4760 0.5886 0.5985 -0.0086 0.0183 -0.0044 82 VAL A N 2 C CA . VAL A 1 ? 0.4679 0.5764 0.5851 -0.0047 0.0162 -0.0040 82 VAL A CA 3 C C . VAL A 1 ? 0.4363 0.5485 0.5573 -0.0024 0.0120 -0.0051 82 VAL A C 4 O O . VAL A 1 ? 0.4400 0.5544 0.5641 -0.0041 0.0093 -0.0057 82 VAL A O 5 C CB . VAL A 1 ? 0.4828 0.5828 0.5911 -0.0053 0.0152 -0.0028 82 VAL A CB 6 C CG1 . VAL A 1 ? 0.4891 0.5844 0.5922 -0.0060 0.0190 -0.0017 82 VAL A CG1 7 C CG2 . VAL A 1 ? 0.4905 0.5891 0.5987 -0.0084 0.0132 -0.0028 82 VAL A CG2 8 N N . GLU A 2 ? 0.4004 0.5130 0.5206 0.0014 0.0114 -0.0053 83 GLU A N 9 C CA . GLU A 2 ? 0.3727 0.4882 0.4958 0.0041 0.0074 -0.0063 83 GLU A CA 10 C C . GLU A 2 ? 0.3234 0.4318 0.4386 0.0060 0.0046 -0.0056 83 GLU A C 11 O O . GLU A 2 ? 0.3032 0.4057 0.4118 0.0061 0.0061 -0.0045 83 GLU A O 12 C CB . GLU A 2 ? 0.3984 0.5192 0.5263 0.0074 0.0086 -0.0072 83 GLU A CB 13 C CG . GLU A 2 ? 0.4283 0.5567 0.5645 0.0059 0.0120 -0.0080 83 GLU A CG 14 C CD . GLU A 2 ? 0.4509 0.5871 0.5964 0.0048 0.0096 -0.0094 83 GLU A CD 15 O OE1 . GLU A 2 ? 0.4827 0.6265 0.6363 0.0049 0.0117 -0.0104 83 GLU A OE1 16 O OE2 . GLU A 2 ? 0.4814 0.6161 0.6260 0.0039 0.0056 -0.0095 83 GLU A OE2 17 N N . TYR A 3 ? 0.2790 0.3880 0.3950 0.0074 0.0005 -0.0063 84 TYR A N 18 C CA . TYR A 3 ? 0.2607 0.3633 0.3695 0.0094 -0.0021 -0.0058 84 TYR A CA 19 C C . TYR A 3 ? 0.2464 0.3472 0.3522 0.0129 -0.0012 -0.0056 84 TYR A C 20 O O . TYR A 3 ? 0.2351 0.3408 0.3456 0.0151 -0.0003 -0.0064 84 TYR A O 21 C CB . TYR A 3 ? 0.2588 0.3622 0.3688 0.0103 -0.0067 -0.0066 84 TYR A CB 22 C CG . TYR A 3 ? 0.2525 0.3553 0.3630 0.0071 -0.0085 -0.0067 84 TYR A CG 23 C CD1 . TYR A 3 ? 0.2493 0.3461 0.3538 0.0049 -0.0078 -0.0056 84 TYR A CD1 24 C CD2 . TYR A 3 ? 0.2503 0.3584 0.3670 0.0065 -0.0111 -0.0079 84 TYR A CD2 25 C CE1 . TYR A 3 ? 0.2505 0.3463 0.3549 0.0021 -0.0094 -0.0058 84 TYR A CE1 26 C CE2 . TYR A 3 ? 0.2521 0.3591 0.3687 0.0036 -0.0130 -0.0080 84 TYR A CE2 27 C CZ . TYR A 3 ? 0.2544 0.3550 0.3645 0.0015 -0.0120 -0.0069 84 TYR A CZ 28 O OH . TYR A 3 ? 0.2611 0.3602 0.3707 -0.0013 -0.0137 -0.0071 84 TYR A OH 29 N N . ARG A 4 ? 0.2328 0.3265 0.3309 0.0135 -0.0014 -0.0046 85 ARG A N 30 C CA . ARG A 4 ? 0.2311 0.3218 0.3252 0.0169 -0.0013 -0.0044 85 ARG A CA 31 C C . ARG A 4 ? 0.2286 0.3201 0.3233 0.0199 -0.0049 -0.0053 85 ARG A C 32 O O . ARG A 4 ? 0.2244 0.3146 0.3182 0.0194 -0.0080 -0.0055 85 ARG A O 33 C CB . ARG A 4 ? 0.2284 0.3114 0.3144 0.0163 -0.0012 -0.0032 85 ARG A CB 34 C CG . ARG A 4 ? 0.2300 0.3109 0.3138 0.0147 0.0023 -0.0023 85 ARG A CG 35 C CD . ARG A 4 ? 0.2237 0.2980 0.3008 0.0134 0.0018 -0.0013 85 ARG A CD 36 N NE . ARG A 4 ? 0.2256 0.2962 0.2986 0.0136 0.0041 -0.0005 85 ARG A NE 37 C CZ . ARG A 4 ? 0.2204 0.2856 0.2881 0.0127 0.0040 0.0003 85 ARG A CZ 38 N NH1 . ARG A 4 ? 0.2134 0.2764 0.2795 0.0114 0.0021 0.0005 85 ARG A NH1 39 N NH2 . ARG A 4 ? 0.2252 0.2872 0.2894 0.0130 0.0058 0.0009 85 ARG A NH2 40 N N . ASN A 5 ? 0.2301 0.3233 0.3260 0.0232 -0.0044 -0.0058 86 ASN A N 41 C CA . ASN A 5 ? 0.2382 0.3308 0.3332 0.0266 -0.0078 -0.0065 86 ASN A CA 42 C C . ASN A 5 ? 0.2286 0.3146 0.3161 0.0291 -0.0078 -0.0059 86 ASN A C 43 O O . ASN A 5 ? 0.2327 0.3156 0.3168 0.0314 -0.0108 -0.0062 86 ASN A O 44 C CB . ASN A 5 ? 0.2555 0.3560 0.3587 0.0289 -0.0080 -0.0080 86 ASN A CB 45 C CG . ASN A 5 ? 0.2750 0.3816 0.3854 0.0269 -0.0097 -0.0088 86 ASN A CG 46 O OD1 . ASN A 5 ? 0.2904 0.3945 0.3987 0.0248 -0.0121 -0.0086 86 ASN A OD1 47 N ND2 . ASN A 5 ? 0.2914 0.4062 0.4106 0.0274 -0.0085 -0.0099 86 ASN A ND2 48 N N . TRP A 6 ? 0.2136 0.2971 0.2981 0.0286 -0.0046 -0.0051 87 TRP A N 49 C CA . TRP A 6 ? 0.2157 0.2930 0.2932 0.0308 -0.0044 -0.0046 87 TRP A CA 50 C C . TRP A 6 ? 0.2180 0.2965 0.2963 0.0351 -0.0056 -0.0056 87 TRP A C 51 O O . TRP A 6 ? 0.2157 0.2886 0.2880 0.0373 -0.0072 -0.0054 87 TRP A O 52 C CB . TRP A 6 ? 0.2095 0.2796 0.2798 0.0297 -0.0065 -0.0038 87 TRP A CB 53 C CG . TRP A 6 ? 0.2032 0.2717 0.2724 0.0259 -0.0056 -0.0029 87 TRP A CG 54 C CD1 . TRP A 6 ? 0.2016 0.2712 0.2725 0.0236 -0.0071 -0.0029 87 TRP A CD1 55 C CD2 . TRP A 6 ? 0.2013 0.2665 0.2671 0.0241 -0.0032 -0.0019 87 TRP A CD2 56 N NE1 . TRP A 6 ? 0.2001 0.2672 0.2689 0.0207 -0.0056 -0.0021 87 TRP A NE1 57 C CE2 . TRP A 6 ? 0.1997 0.2643 0.2656 0.0209 -0.0033 -0.0014 87 TRP A CE2 58 C CE3 . TRP A 6 ? 0.2034 0.2657 0.2658 0.0250 -0.0011 -0.0015 87 TRP A CE3 59 C CZ2 . TRP A 6 ? 0.1980 0.2596 0.2610 0.0188 -0.0014 -0.0005 87 TRP A CZ2 60 C CZ3 . TRP A 6 ? 0.2022 0.2613 0.2616 0.0228 0.0006 -0.0006 87 TRP A CZ3 61 C CH2 . TRP A 6 ? 0.2011 0.2600 0.2610 0.0197 0.0004 -0.0001 87 TRP A CH2 62 N N . SER A 7 ? 0.2256 0.3116 0.3117 0.0364 -0.0048 -0.0067 88 SER A N 63 C CA . SER A 7 ? 0.2387 0.3270 0.3268 0.0407 -0.0063 -0.0078 88 SER A CA 64 C C . SER A 7 ? 0.2470 0.3346 0.3337 0.0431 -0.0030 -0.0078 88 SER A C 65 O O . SER A 7 ? 0.2549 0.3487 0.3478 0.0451 -0.0015 -0.0089 88 SER A O 66 C CB . SER A 7 ? 0.2413 0.3384 0.3391 0.0411 -0.0074 -0.0091 88 SER A CB 67 O OG . SER A 7 ? 0.2460 0.3490 0.3500 0.0385 -0.0037 -0.0092 88 SER A OG 68 N N . LYS A 8 ? 0.2461 0.3262 0.3247 0.0427 -0.0020 -0.0068 89 LYS A N 69 C CA . LYS A 8 ? 0.2500 0.3274 0.3251 0.0451 0.0005 -0.0067 89 LYS A CA 70 C C . LYS A 8 ? 0.2533 0.3222 0.3196 0.0471 -0.0019 -0.0063 89 LYS A C 71 O O . LYS A 8 ? 0.2513 0.3160 0.3137 0.0453 -0.0044 -0.0056 89 LYS A O 72 C CB . LYS A 8 ? 0.2495 0.3258 0.3231 0.0423 0.0044 -0.0058 89 LYS A CB 73 C CG . LYS A 8 ? 0.2511 0.3350 0.3327 0.0404 0.0073 -0.0063 89 LYS A CG 74 C CD . LYS A 8 ? 0.2523 0.3337 0.3310 0.0377 0.0110 -0.0053 89 LYS A CD 75 C CE . LYS A 8 ? 0.2548 0.3433 0.3410 0.0356 0.0142 -0.0057 89 LYS A CE 76 N NZ . LYS A 8 ? 0.2555 0.3409 0.3384 0.0324 0.0173 -0.0046 89 LYS A NZ 77 N N . PRO A 9 ? 0.2528 0.3189 0.3157 0.0505 -0.0011 -0.0066 90 PRO A N 78 C CA . PRO A 9 ? 0.2530 0.3103 0.3068 0.0520 -0.0032 -0.0061 90 PRO A CA 79 C C . PRO A 9 ? 0.2428 0.2938 0.2903 0.0486 -0.0023 -0.0047 90 PRO A C 80 O O . PRO A 9 ? 0.2337 0.2864 0.2828 0.0461 0.0005 -0.0042 90 PRO A O 81 C CB . PRO A 9 ? 0.2627 0.3188 0.3147 0.0562 -0.0019 -0.0068 90 PRO A CB 82 C CG . PRO A 9 ? 0.2666 0.3292 0.3248 0.0558 0.0022 -0.0072 90 PRO A CG 83 C CD . PRO A 9 ? 0.2596 0.3300 0.3262 0.0531 0.0020 -0.0075 90 PRO A CD 84 N N . GLN A 10 ? 0.2382 0.2820 0.2786 0.0484 -0.0047 -0.0041 91 GLN A N 85 C CA . GLN A 10 ? 0.2389 0.2765 0.2732 0.0456 -0.0041 -0.0030 91 GLN A CA 86 C C . GLN A 10 ? 0.2526 0.2867 0.2829 0.0470 -0.0018 -0.0028 91 GLN A C 87 O O . GLN A 10 ? 0.2521 0.2846 0.2804 0.0507 -0.0019 -0.0035 91 GLN A O 88 C CB . GLN A 10 ? 0.2361 0.2669 0.2641 0.0454 -0.0072 -0.0025 91 GLN A CB 89 C CG . GLN A 10 ? 0.2319 0.2560 0.2536 0.0427 -0.0069 -0.0014 91 GLN A CG 90 C CD . GLN A 10 ? 0.2319 0.2507 0.2487 0.0419 -0.0097 -0.0010 91 GLN A CD 91 O OE1 . GLN A 10 ? 0.2252 0.2456 0.2440 0.0397 -0.0106 -0.0008 91 GLN A OE1 92 N NE2 . GLN A 10 ? 0.2366 0.2485 0.2466 0.0437 -0.0108 -0.0010 91 GLN A NE2 93 N N . CYS A 11 ? 0.2629 0.2957 0.2919 0.0443 0.0002 -0.0021 92 CYS A N 94 C CA . CYS A 11 ? 0.2798 0.3084 0.3040 0.0453 0.0023 -0.0019 92 CYS A CA 95 C C . CYS A 11 ? 0.2926 0.3129 0.3087 0.0468 0.0002 -0.0017 92 CYS A C 96 O O . CYS A 11 ? 0.2868 0.3036 0.3000 0.0451 -0.0022 -0.0012 92 CYS A O 97 C CB . CYS A 11 ? 0.2849 0.3125 0.3083 0.0419 0.0040 -0.0010 92 CYS A CB 98 S SG . CYS A 11 ? 0.2959 0.3317 0.3275 0.0395 0.0067 -0.0011 92 CYS A SG 99 N N . GLN A 12 ? 0.3142 0.3312 0.3264 0.0498 0.0012 -0.0021 93 GLN A N 100 C CA . GLN A 12 ? 0.3395 0.3482 0.3435 0.0512 -0.0008 -0.0020 93 GLN A CA 101 C C . GLN A 12 ? 0.3391 0.3421 0.3376 0.0488 -0.0001 -0.0011 93 GLN A C 102 O O . GLN A 12 ? 0.3798 0.3818 0.3767 0.0496 0.0022 -0.0012 93 GLN A O 103 C CB . GLN A 12 ? 0.3646 0.3720 0.3666 0.0560 -0.0003 -0.0029 93 GLN A CB 104 C CG . GLN A 12 ? 0.3757 0.3884 0.3830 0.0588 -0.0016 -0.0039 93 GLN A CG 105 C CD . GLN A 12 ? 0.3913 0.4006 0.3959 0.0582 -0.0053 -0.0036 93 GLN A CD 106 O OE1 . GLN A 12 ? 0.4207 0.4220 0.4176 0.0590 -0.0070 -0.0034 93 GLN A OE1 107 N NE2 . GLN A 12 ? 0.3923 0.4072 0.4029 0.0567 -0.0064 -0.0037 93 GLN A NE2 108 N N . ILE A 13 ? 0.3172 0.3163 0.3127 0.0459 -0.0021 -0.0004 94 ILE A N 109 C CA . ILE A 13 ? 0.3083 0.3030 0.2999 0.0432 -0.0019 0.0004 94 ILE A CA 110 C C . ILE A 13 ? 0.2953 0.2810 0.2784 0.0437 -0.0036 0.0005 94 ILE A C 111 O O . ILE A 13 ? 0.2854 0.2677 0.2653 0.0453 -0.0054 0.0003 94 ILE A O 112 C CB . ILE A 13 ? 0.3108 0.3077 0.3055 0.0391 -0.0027 0.0011 94 ILE A CB 113 C CG1 . ILE A 13 ? 0.3117 0.3056 0.3043 0.0381 -0.0053 0.0013 94 ILE A CG1 114 C CG2 . ILE A 13 ? 0.3088 0.3140 0.3115 0.0384 -0.0011 0.0009 94 ILE A CG2 115 C CD1 . ILE A 13 ? 0.3141 0.3088 0.3085 0.0341 -0.0059 0.0020 94 ILE A CD1 116 N N . THR A 14 ? 0.2771 0.2588 0.2563 0.0423 -0.0030 0.0009 95 THR A N 117 C CA . THR A 14 ? 0.2736 0.2468 0.2449 0.0422 -0.0046 0.0011 95 THR A CA 118 C C . THR A 14 ? 0.2597 0.2308 0.2303 0.0381 -0.0063 0.0018 95 THR A C 119 O O . THR A 14 ? 0.2605 0.2248 0.2252 0.0372 -0.0080 0.0020 95 THR A O 120 C CB . THR A 14 ? 0.2811 0.2506 0.2480 0.0436 -0.0031 0.0009 95 THR A CB 121 O OG1 . THR A 14 ? 0.2772 0.2497 0.2471 0.0413 -0.0017 0.0014 95 THR A OG1 122 C CG2 . THR A 14 ? 0.2859 0.2576 0.2536 0.0478 -0.0009 0.0001 95 THR A CG2 123 N N . GLY A 15 ? 0.2400 0.2170 0.2169 0.0357 -0.0059 0.0022 96 GLY A N 124 C CA . GLY A 15 ? 0.2297 0.2062 0.2074 0.0319 -0.0070 0.0028 96 GLY A CA 125 C C . GLY A 15 ? 0.2195 0.2023 0.2033 0.0303 -0.0055 0.0030 96 GLY A C 126 O O . GLY A 15 ? 0.2100 0.1982 0.1983 0.0317 -0.0039 0.0027 96 GLY A O 127 N N . PHE A 16 ? 0.2148 0.1969 0.1990 0.0275 -0.0061 0.0034 97 PHE A N 128 C CA . PHE A 16 ? 0.2071 0.1945 0.1967 0.0257 -0.0050 0.0037 97 PHE A CA 129 C C . PHE A 16 ? 0.2074 0.1923 0.1948 0.0248 -0.0048 0.0040 97 PHE A C 130 O O . PHE A 16 ? 0.2152 0.1945 0.1977 0.0243 -0.0063 0.0040 97 PHE A O 131 C CB . PHE A 16 ? 0.2017 0.1915 0.1949 0.0231 -0.0061 0.0040 97 PHE A CB 132 C CG . PHE A 16 ? 0.2004 0.1916 0.1948 0.0238 -0.0066 0.0038 97 PHE A CG 133 C CD1 . PHE A 16 ? 0.1967 0.1936 0.1961 0.0245 -0.0056 0.0036 97 PHE A CD1 134 C CD2 . PHE A 16 ? 0.2021 0.1883 0.1920 0.0239 -0.0082 0.0038 97 PHE A CD2 135 C CE1 . PHE A 16 ? 0.1967 0.1943 0.1966 0.0253 -0.0064 0.0033 97 PHE A CE1 136 C CE2 . PHE A 16 ? 0.2045 0.1912 0.1947 0.0248 -0.0088 0.0036 97 PHE A CE2 137 C CZ . PHE A 16 ? 0.2000 0.1924 0.1952 0.0256 -0.0080 0.0034 97 PHE A CZ 138 N N . ALA A 17 ? 0.1999 0.1886 0.1905 0.0246 -0.0030 0.0041 98 ALA A N 139 C CA . ALA A 17 ? 0.1976 0.1840 0.1861 0.0238 -0.0028 0.0043 98 ALA A CA 140 C C . ALA A 17 ? 0.1911 0.1811 0.1842 0.0213 -0.0030 0.0047 98 ALA A C 141 O O . ALA A 17 ? 0.1805 0.1758 0.1789 0.0206 -0.0023 0.0047 98 ALA A O 142 C CB . ALA A 17 ? 0.2014 0.1878 0.1884 0.0258 -0.0002 0.0042 98 ALA A CB 143 N N . PRO A 18 ? 0.1911 0.1781 0.1821 0.0199 -0.0043 0.0049 99 PRO A N 144 C CA . PRO A 18 ? 0.1884 0.1783 0.1835 0.0178 -0.0047 0.0052 99 PRO A CA 145 C C . PRO A 18 ? 0.1841 0.1782 0.1825 0.0180 -0.0023 0.0053 99 PRO A C 146 O O . PRO A 18 ? 0.1882 0.1811 0.1841 0.0193 -0.0005 0.0053 99 PRO A O 147 C CB . PRO A 18 ? 0.1901 0.1751 0.1812 0.0172 -0.0064 0.0053 99 PRO A CB 148 C CG . PRO A 18 ? 0.1976 0.1771 0.1830 0.0183 -0.0076 0.0051 99 PRO A CG 149 C CD . PRO A 18 ? 0.1994 0.1797 0.1839 0.0205 -0.0055 0.0049 99 PRO A CD 150 N N . PHE A 19 ? 0.1786 0.1774 0.1823 0.0165 -0.0022 0.0054 100 PHE A N 151 C CA . PHE A 19 ? 0.1785 0.1814 0.1856 0.0162 0.0000 0.0055 100 PHE A CA 152 C C . PHE A 19 ? 0.1758 0.1797 0.1850 0.0144 -0.0005 0.0058 100 PHE A C 153 O O . PHE A 19 ? 0.1805 0.1840 0.1890 0.0144 0.0009 0.0060 100 PHE A O 154 C CB . PHE A 19 ? 0.1774 0.1852 0.1890 0.0165 0.0007 0.0053 100 PHE A CB 155 C CG . PHE A 19 ? 0.1774 0.1896 0.1926 0.0164 0.0030 0.0052 100 PHE A CG 156 C CD1 . PHE A 19 ? 0.1832 0.1950 0.1969 0.0173 0.0052 0.0052 100 PHE A CD1 157 C CD2 . PHE A 19 ? 0.1752 0.1920 0.1953 0.0152 0.0030 0.0051 100 PHE A CD2 158 C CE1 . PHE A 19 ? 0.1846 0.2006 0.2020 0.0169 0.0074 0.0052 100 PHE A CE1 159 C CE2 . PHE A 19 ? 0.1755 0.1963 0.1992 0.0149 0.0049 0.0051 100 PHE A CE2 160 C CZ . PHE A 19 ? 0.1777 0.1983 0.2003 0.0156 0.0071 0.0051 100 PHE A CZ 161 N N . SER A 20 ? 0.1714 0.1761 0.1829 0.0130 -0.0023 0.0058 101 SER A N 162 C CA . SER A 20 ? 0.1683 0.1742 0.1821 0.0116 -0.0027 0.0060 101 SER A CA 163 C C . SER A 20 ? 0.1662 0.1715 0.1812 0.0104 -0.0051 0.0059 101 SER A C 164 O O . SER A 20 ? 0.1644 0.1696 0.1796 0.0102 -0.0059 0.0057 101 SER A O 165 C CB . SER A 20 ? 0.1642 0.1749 0.1826 0.0109 -0.0012 0.0060 101 SER A CB 166 O OG . SER A 20 ? 0.1623 0.1735 0.1821 0.0098 -0.0013 0.0061 101 SER A OG 167 N N . LYS A 21 ? 0.1664 0.1713 0.1822 0.0096 -0.0060 0.0059 102 LYS A N 168 C CA . LYS A 21 ? 0.1676 0.1729 0.1857 0.0084 -0.0079 0.0057 102 LYS A CA 169 C C . LYS A 21 ? 0.1700 0.1766 0.1904 0.0079 -0.0081 0.0058 102 LYS A C 170 O O . LYS A 21 ? 0.1709 0.1753 0.1886 0.0085 -0.0077 0.0060 102 LYS A O 171 C CB . LYS A 21 ? 0.1712 0.1724 0.1860 0.0086 -0.0101 0.0056 102 LYS A CB 172 C CG . LYS A 21 ? 0.1704 0.1723 0.1880 0.0073 -0.0122 0.0053 102 LYS A CG 173 C CD . LYS A 21 ? 0.1761 0.1737 0.1902 0.0074 -0.0146 0.0051 102 LYS A CD 174 C CE . LYS A 21 ? 0.1756 0.1743 0.1929 0.0057 -0.0164 0.0047 102 LYS A CE 175 N NZ . LYS A 21 ? 0.1747 0.1771 0.1974 0.0049 -0.0168 0.0045 102 LYS A NZ 176 N N . ASP A 22 ? 0.1731 0.1827 0.1978 0.0068 -0.0084 0.0056 103 ASP A N 177 C CA . ASP A 22 ? 0.1766 0.1873 0.2033 0.0066 -0.0084 0.0056 103 ASP A CA 178 C C . ASP A 22 ? 0.1709 0.1810 0.1991 0.0063 -0.0107 0.0053 103 ASP A C 179 O O . ASP A 22 ? 0.1668 0.1767 0.1955 0.0066 -0.0110 0.0053 103 ASP A O 180 C CB . ASP A 22 ? 0.1833 0.1979 0.2136 0.0059 -0.0067 0.0055 103 ASP A CB 181 C CG . ASP A 22 ? 0.1877 0.2050 0.2217 0.0049 -0.0070 0.0052 103 ASP A CG 182 O OD1 . ASP A 22 ? 0.1934 0.2100 0.2276 0.0046 -0.0083 0.0050 103 ASP A OD1 183 O OD2 . ASP A 22 ? 0.1974 0.2172 0.2339 0.0044 -0.0059 0.0051 103 ASP A OD2 184 N N . ASN A 23 ? 0.1666 0.1763 0.1954 0.0059 -0.0123 0.0049 104 ASN A N 185 C CA . ASN A 23 ? 0.1653 0.1747 0.1960 0.0057 -0.0148 0.0045 104 ASN A CA 186 C C . ASN A 23 ? 0.1602 0.1731 0.1959 0.0053 -0.0146 0.0042 104 ASN A C 187 O O . ASN A 23 ? 0.1588 0.1713 0.1957 0.0057 -0.0165 0.0039 104 ASN A O 188 C CB . ASN A 23 ? 0.1719 0.1768 0.1981 0.0068 -0.0165 0.0047 104 ASN A CB 189 C CG . ASN A 23 ? 0.1787 0.1795 0.1998 0.0072 -0.0171 0.0048 104 ASN A CG 190 O OD1 . ASN A 23 ? 0.1817 0.1821 0.2031 0.0066 -0.0184 0.0046 104 ASN A OD1 191 N ND2 . ASN A 23 ? 0.1810 0.1787 0.1972 0.0083 -0.0158 0.0053 104 ASN A ND2 192 N N A SER A 24 ? 0.1548 0.1709 0.1931 0.0046 -0.0126 0.0042 105 SER A N 193 N N B SER A 24 ? 0.1558 0.1719 0.1941 0.0046 -0.0126 0.0042 105 SER A N 194 C CA A SER A 24 ? 0.1514 0.1705 0.1936 0.0044 -0.0118 0.0040 105 SER A CA 195 C CA B SER A 24 ? 0.1527 0.1716 0.1948 0.0045 -0.0119 0.0040 105 SER A CA 196 C C A SER A 24 ? 0.1498 0.1706 0.1962 0.0041 -0.0135 0.0033 105 SER A C 197 C C B SER A 24 ? 0.1504 0.1713 0.1969 0.0041 -0.0135 0.0033 105 SER A C 198 O O A SER A 24 ? 0.1460 0.1675 0.1943 0.0048 -0.0141 0.0030 105 SER A O 199 O O B SER A 24 ? 0.1480 0.1696 0.1964 0.0048 -0.0141 0.0030 105 SER A O 200 C CB A SER A 24 ? 0.1504 0.1720 0.1942 0.0035 -0.0095 0.0040 105 SER A CB 201 C CB B SER A 24 ? 0.1519 0.1734 0.1956 0.0037 -0.0096 0.0040 105 SER A CB 202 O OG A SER A 24 ? 0.1545 0.1783 0.2011 0.0035 -0.0086 0.0038 105 SER A OG 203 O OG B SER A 24 ? 0.1551 0.1782 0.2009 0.0026 -0.0094 0.0037 105 SER A OG 204 N N . ILE A 25 ? 0.1484 0.1701 0.1965 0.0031 -0.0142 0.0030 106 ILE A N 205 C CA . ILE A 25 ? 0.1462 0.1705 0.1995 0.0025 -0.0155 0.0023 106 ILE A CA 206 C C . ILE A 25 ? 0.1474 0.1699 0.2003 0.0035 -0.0186 0.0019 106 ILE A C 207 O O . ILE A 25 ? 0.1472 0.1717 0.2040 0.0041 -0.0196 0.0014 106 ILE A O 208 C CB . ILE A 25 ? 0.1469 0.1727 0.2022 0.0007 -0.0151 0.0020 106 ILE A CB 209 C CG1 . ILE A 25 ? 0.1462 0.1730 0.2009 -0.0001 -0.0123 0.0023 106 ILE A CG1 210 C CG2 . ILE A 25 ? 0.1461 0.1754 0.2076 -0.0001 -0.0159 0.0012 106 ILE A CG2 211 C CD1 . ILE A 25 ? 0.1458 0.1753 0.2033 0.0001 -0.0104 0.0022 106 ILE A CD1 212 N N . ARG A 26 ? 0.1465 0.1650 0.1946 0.0039 -0.0201 0.0023 107 ARG A N 213 C CA . ARG A 26 ? 0.1485 0.1642 0.1950 0.0050 -0.0232 0.0021 107 ARG A CA 214 C C . ARG A 26 ? 0.1481 0.1630 0.1939 0.0066 -0.0233 0.0021 107 ARG A C 215 O O . ARG A 26 ? 0.1449 0.1601 0.1929 0.0075 -0.0257 0.0016 107 ARG A O 216 C CB . ARG A 26 ? 0.1524 0.1630 0.1923 0.0054 -0.0242 0.0025 107 ARG A CB 217 C CG . ARG A 26 ? 0.1527 0.1629 0.1927 0.0040 -0.0250 0.0023 107 ARG A CG 218 C CD . ARG A 26 ? 0.1579 0.1627 0.1908 0.0046 -0.0255 0.0028 107 ARG A CD 219 N NE . ARG A 26 ? 0.1624 0.1627 0.1910 0.0060 -0.0280 0.0028 107 ARG A NE 220 C CZ . ARG A 26 ? 0.1696 0.1673 0.1972 0.0059 -0.0314 0.0023 107 ARG A CZ 221 N NH1 . ARG A 26 ? 0.1763 0.1691 0.1990 0.0073 -0.0336 0.0024 107 ARG A NH1 222 N NH2 . ARG A 26 ? 0.1714 0.1711 0.2027 0.0043 -0.0327 0.0018 107 ARG A NH2 223 N N . LEU A 27 ? 0.1481 0.1621 0.1910 0.0069 -0.0208 0.0028 108 LEU A N 224 C CA . LEU A 27 ? 0.1505 0.1631 0.1920 0.0081 -0.0206 0.0029 108 LEU A CA 225 C C . LEU A 27 ? 0.1496 0.1661 0.1967 0.0083 -0.0203 0.0024 108 LEU A C 226 O O . LEU A 27 ? 0.1482 0.1635 0.1951 0.0096 -0.0215 0.0022 108 LEU A O 227 C CB . LEU A 27 ? 0.1492 0.1602 0.1867 0.0081 -0.0178 0.0037 108 LEU A CB 228 C CG . LEU A 27 ? 0.1528 0.1596 0.1843 0.0083 -0.0177 0.0043 108 LEU A CG 229 C CD1 . LEU A 27 ? 0.1520 0.1592 0.1817 0.0079 -0.0146 0.0049 108 LEU A CD1 230 C CD2 . LEU A 27 ? 0.1597 0.1613 0.1864 0.0096 -0.0198 0.0044 108 LEU A CD2 231 N N A SER A 28 ? 0.1477 0.1685 0.1992 0.0070 -0.0185 0.0021 109 SER A N 232 N N B SER A 28 ? 0.1488 0.1697 0.2004 0.0070 -0.0185 0.0021 109 SER A N 233 C CA A SER A 28 ? 0.1474 0.1721 0.2043 0.0071 -0.0176 0.0015 109 SER A CA 234 C CA B SER A 28 ? 0.1493 0.1739 0.2060 0.0072 -0.0177 0.0015 109 SER A CA 235 C C A SER A 28 ? 0.1523 0.1786 0.2135 0.0080 -0.0203 0.0006 109 SER A C 236 C C B SER A 28 ? 0.1525 0.1791 0.2140 0.0079 -0.0203 0.0006 109 SER A C 237 O O A SER A 28 ? 0.1529 0.1815 0.2178 0.0088 -0.0200 0.0001 109 SER A O 238 O O B SER A 28 ? 0.1523 0.1816 0.2179 0.0085 -0.0198 0.0000 109 SER A O 239 C CB A SER A 28 ? 0.1438 0.1722 0.2040 0.0054 -0.0153 0.0013 109 SER A CB 240 C CB B SER A 28 ? 0.1466 0.1746 0.2062 0.0056 -0.0151 0.0014 109 SER A CB 241 O OG A SER A 28 ? 0.1408 0.1682 0.1977 0.0048 -0.0130 0.0020 109 SER A OG 242 O OG B SER A 28 ? 0.1478 0.1774 0.2098 0.0044 -0.0158 0.0011 109 SER A OG 243 N N . ALA A 29 ? 0.1562 0.1814 0.2172 0.0079 -0.0230 0.0004 110 ALA A N 244 C CA . ALA A 29 ? 0.1608 0.1876 0.2261 0.0088 -0.0261 -0.0005 110 ALA A CA 245 C C . ALA A 29 ? 0.1695 0.1922 0.2312 0.0111 -0.0286 -0.0005 110 ALA A C 246 O O . ALA A 29 ? 0.1724 0.1960 0.2374 0.0123 -0.0316 -0.0013 110 ALA A O 247 C CB . ALA A 29 ? 0.1636 0.1903 0.2298 0.0077 -0.0284 -0.0009 110 ALA A CB 248 N N . GLY A 30 ? 0.1702 0.1884 0.2254 0.0116 -0.0274 0.0004 111 GLY A N 249 C CA . GLY A 30 ? 0.1772 0.1905 0.2277 0.0135 -0.0293 0.0006 111 GLY A CA 250 C C . GLY A 30 ? 0.1784 0.1890 0.2241 0.0136 -0.0265 0.0014 111 GLY A C 251 O O . GLY A 30 ? 0.1848 0.1900 0.2238 0.0140 -0.0266 0.0022 111 GLY A O 252 N N . GLY A 31 ? 0.1746 0.1888 0.2238 0.0130 -0.0239 0.0013 112 GLY A N 253 C CA . GLY A 31 ? 0.1758 0.1881 0.2213 0.0127 -0.0211 0.0020 112 GLY A CA 254 C C . GLY A 31 ? 0.1722 0.1890 0.2220 0.0117 -0.0183 0.0018 112 GLY A C 255 O O . GLY A 31 ? 0.1703 0.1915 0.2252 0.0109 -0.0180 0.0013 112 GLY A O 256 N N . ASP A 32 ? 0.1719 0.1873 0.2193 0.0115 -0.0163 0.0022 113 ASP A N 257 C CA . ASP A 32 ? 0.1679 0.1867 0.2184 0.0106 -0.0138 0.0020 113 ASP A CA 258 C C . ASP A 32 ? 0.1639 0.1834 0.2128 0.0089 -0.0116 0.0026 113 ASP A C 259 O O . ASP A 32 ? 0.1668 0.1838 0.2116 0.0085 -0.0105 0.0033 113 ASP A O 260 C CB . ASP A 32 ? 0.1723 0.1891 0.2212 0.0115 -0.0131 0.0020 113 ASP A CB 261 C CG . ASP A 32 ? 0.1785 0.1942 0.2286 0.0136 -0.0156 0.0013 113 ASP A CG 262 O OD1 . ASP A 32 ? 0.1797 0.1990 0.2351 0.0142 -0.0167 0.0005 113 ASP A OD1 263 O OD2 . ASP A 32 ? 0.1877 0.1988 0.2334 0.0146 -0.0164 0.0016 113 ASP A OD2 264 N N . ILE A 33 ? 0.1559 0.1789 0.2081 0.0079 -0.0110 0.0024 114 ILE A N 265 C CA . ILE A 33 ? 0.1530 0.1766 0.2039 0.0066 -0.0094 0.0029 114 ILE A CA 266 C C . ILE A 33 ? 0.1456 0.1726 0.1998 0.0056 -0.0075 0.0025 114 ILE A C 267 O O . ILE A 33 ? 0.1446 0.1740 0.2028 0.0056 -0.0077 0.0019 114 ILE A O 268 C CB . ILE A 33 ? 0.1553 0.1782 0.2053 0.0063 -0.0108 0.0030 114 ILE A CB 269 C CG1 . ILE A 33 ? 0.1608 0.1796 0.2064 0.0073 -0.0125 0.0034 114 ILE A CG1 270 C CG2 . ILE A 33 ? 0.1550 0.1786 0.2038 0.0052 -0.0092 0.0034 114 ILE A CG2 271 C CD1 . ILE A 33 ? 0.1645 0.1806 0.2054 0.0072 -0.0110 0.0041 114 ILE A CD1 272 N N . TRP A 34 ? 0.1418 0.1688 0.1943 0.0047 -0.0057 0.0029 115 TRP A N 273 C CA . TRP A 34 ? 0.1374 0.1667 0.1918 0.0038 -0.0040 0.0026 115 TRP A CA 274 C C . TRP A 34 ? 0.1364 0.1675 0.1929 0.0030 -0.0040 0.0024 115 TRP A C 275 O O . TRP A 34 ? 0.1365 0.1668 0.1917 0.0028 -0.0048 0.0027 115 TRP A O 276 C CB . TRP A 34 ? 0.1358 0.1643 0.1874 0.0031 -0.0026 0.0031 115 TRP A CB 277 C CG . TRP A 34 ? 0.1347 0.1621 0.1850 0.0032 -0.0019 0.0032 115 TRP A CG 278 C CD1 . TRP A 34 ? 0.1366 0.1616 0.1843 0.0036 -0.0023 0.0035 115 TRP A CD1 279 C CD2 . TRP A 34 ? 0.1348 0.1627 0.1858 0.0028 -0.0007 0.0028 115 TRP A CD2 280 N NE1 . TRP A 34 ? 0.1379 0.1621 0.1849 0.0033 -0.0015 0.0035 115 TRP A NE1 281 C CE2 . TRP A 34 ? 0.1344 0.1603 0.1832 0.0029 -0.0006 0.0030 115 TRP A CE2 282 C CE3 . TRP A 34 ? 0.1350 0.1644 0.1876 0.0023 0.0004 0.0024 115 TRP A CE3 283 C CZ2 . TRP A 34 ? 0.1356 0.1610 0.1841 0.0026 0.0004 0.0027 115 TRP A CZ2 284 C CZ3 . TRP A 34 ? 0.1323 0.1612 0.1843 0.0022 0.0014 0.0021 115 TRP A CZ3 285 C CH2 . TRP A 34 ? 0.1338 0.1607 0.1838 0.0023 0.0013 0.0023 115 TRP A CH2 286 N N . VAL A 35 ? 0.1363 0.1694 0.1957 0.0025 -0.0028 0.0019 116 VAL A N 287 C CA . VAL A 35 ? 0.1351 0.1696 0.1958 0.0013 -0.0020 0.0017 116 VAL A CA 288 C C . VAL A 35 ? 0.1376 0.1710 0.1951 0.0006 -0.0008 0.0022 116 VAL A C 289 O O . VAL A 35 ? 0.1358 0.1689 0.1923 0.0007 0.0003 0.0022 116 VAL A O 290 C CB . VAL A 35 ? 0.1335 0.1704 0.1982 0.0010 -0.0008 0.0010 116 VAL A CB 291 C CG1 . VAL A 35 ? 0.1328 0.1705 0.1980 -0.0005 0.0005 0.0009 116 VAL A CG1 292 C CG2 . VAL A 35 ? 0.1338 0.1724 0.2024 0.0018 -0.0023 0.0004 116 VAL A CG2 293 N N . THR A 36 ? 0.1430 0.1757 0.1990 0.0000 -0.0011 0.0025 117 THR A N 294 C CA . THR A 36 ? 0.1462 0.1778 0.1991 -0.0004 -0.0003 0.0029 117 THR A CA 295 C C . THR A 36 ? 0.1485 0.1797 0.2008 -0.0014 0.0000 0.0029 117 THR A C 296 O O . THR A 36 ? 0.1522 0.1838 0.2063 -0.0020 -0.0004 0.0026 117 THR A O 297 C CB . THR A 36 ? 0.1507 0.1810 0.2009 0.0003 -0.0013 0.0034 117 THR A CB 298 O OG1 . THR A 36 ? 0.1544 0.1838 0.2042 0.0005 -0.0026 0.0035 117 THR A OG1 299 C CG2 . THR A 36 ? 0.1526 0.1827 0.2027 0.0010 -0.0014 0.0035 117 THR A CG2 300 N N . ARG A 37 ? 0.1489 0.1788 0.1984 -0.0016 0.0007 0.0031 118 ARG A N 301 C CA . ARG A 37 ? 0.1485 0.1768 0.1957 -0.0022 0.0006 0.0033 118 ARG A CA 302 C C . ARG A 37 ? 0.1494 0.1765 0.1934 -0.0016 0.0006 0.0036 118 ARG A C 303 O O . ARG A 37 ? 0.1451 0.1731 0.1894 -0.0011 0.0007 0.0036 118 ARG A O 304 C CB . ARG A 37 ? 0.1507 0.1789 0.1987 -0.0036 0.0018 0.0030 118 ARG A CB 305 C CG . ARG A 37 ? 0.1525 0.1811 0.2025 -0.0045 0.0013 0.0028 118 ARG A CG 306 C CD . ARG A 37 ? 0.1556 0.1826 0.2043 -0.0061 0.0024 0.0028 118 ARG A CD 307 N NE . ARG A 37 ? 0.1589 0.1827 0.2028 -0.0058 0.0018 0.0033 118 ARG A NE 308 C CZ . ARG A 37 ? 0.1659 0.1870 0.2064 -0.0066 0.0027 0.0034 118 ARG A CZ 309 N NH1 . ARG A 37 ? 0.1664 0.1874 0.2075 -0.0080 0.0046 0.0031 118 ARG A NH1 310 N NH2 . ARG A 37 ? 0.1734 0.1916 0.2096 -0.0059 0.0017 0.0038 118 ARG A NH2 311 N N . GLU A 38 ? 0.1513 0.1765 0.1926 -0.0017 0.0003 0.0038 119 GLU A N 312 C CA . GLU A 38 ? 0.1526 0.1767 0.1911 -0.0009 -0.0001 0.0039 119 GLU A CA 313 C C . GLU A 38 ? 0.1481 0.1736 0.1872 0.0003 -0.0008 0.0041 119 GLU A C 314 O O . GLU A 38 ? 0.1479 0.1744 0.1871 0.0006 -0.0006 0.0040 119 GLU A O 315 C CB . GLU A 38 ? 0.1590 0.1828 0.1966 -0.0014 0.0008 0.0037 119 GLU A CB 316 C CG . GLU A 38 ? 0.1662 0.1880 0.2025 -0.0026 0.0019 0.0036 119 GLU A CG 317 C CD . GLU A 38 ? 0.1729 0.1962 0.2123 -0.0036 0.0032 0.0033 119 GLU A CD 318 O OE1 . GLU A 38 ? 0.1705 0.1959 0.2126 -0.0032 0.0033 0.0031 119 GLU A OE1 319 O OE2 . GLU A 38 ? 0.1847 0.2070 0.2240 -0.0049 0.0042 0.0032 119 GLU A OE2 320 N N . PRO A 39 ? 0.1443 0.1696 0.1834 0.0008 -0.0015 0.0043 120 PRO A N 321 C CA . PRO A 39 ? 0.1414 0.1676 0.1805 0.0019 -0.0017 0.0044 120 PRO A CA 322 C C . PRO A 39 ? 0.1424 0.1681 0.1795 0.0029 -0.0021 0.0045 120 PRO A C 323 O O . PRO A 39 ? 0.1434 0.1674 0.1785 0.0030 -0.0025 0.0045 120 PRO A O 324 C CB . PRO A 39 ? 0.1435 0.1687 0.1824 0.0021 -0.0024 0.0046 120 PRO A CB 325 C CG . PRO A 39 ? 0.1454 0.1688 0.1830 0.0016 -0.0029 0.0045 120 PRO A CG 326 C CD . PRO A 39 ? 0.1456 0.1696 0.1843 0.0004 -0.0021 0.0043 120 PRO A CD 327 N N . TYR A 40 ? 0.1378 0.1650 0.1756 0.0037 -0.0019 0.0045 121 TYR A N 328 C CA . TYR A 40 ? 0.1382 0.1654 0.1747 0.0050 -0.0022 0.0045 121 TYR A CA 329 C C . TYR A 40 ? 0.1414 0.1703 0.1790 0.0057 -0.0016 0.0046 121 TYR A C 330 O O . TYR A 40 ? 0.1378 0.1672 0.1765 0.0051 -0.0010 0.0047 121 TYR A O 331 C CB . TYR A 40 ? 0.1378 0.1657 0.1741 0.0053 -0.0025 0.0042 121 TYR A CB 332 C CG . TYR A 40 ? 0.1354 0.1654 0.1739 0.0045 -0.0021 0.0040 121 TYR A CG 333 C CD1 . TYR A 40 ? 0.1352 0.1645 0.1739 0.0032 -0.0019 0.0040 121 TYR A CD1 334 C CD2 . TYR A 40 ? 0.1341 0.1666 0.1744 0.0049 -0.0021 0.0038 121 TYR A CD2 335 C CE1 . TYR A 40 ? 0.1346 0.1651 0.1745 0.0026 -0.0016 0.0037 121 TYR A CE1 336 C CE2 . TYR A 40 ? 0.1326 0.1667 0.1746 0.0040 -0.0020 0.0036 121 TYR A CE2 337 C CZ . TYR A 40 ? 0.1347 0.1675 0.1762 0.0029 -0.0018 0.0036 121 TYR A CZ 338 O OH . TYR A 40 ? 0.1371 0.1709 0.1797 0.0020 -0.0018 0.0033 121 TYR A OH 339 N N . VAL A 41 ? 0.1455 0.1749 0.1825 0.0071 -0.0016 0.0045 122 VAL A N 340 C CA . VAL A 41 ? 0.1468 0.1779 0.1848 0.0077 -0.0006 0.0045 122 VAL A CA 341 C C . VAL A 41 ? 0.1484 0.1823 0.1883 0.0085 -0.0005 0.0041 122 VAL A C 342 O O . VAL A 41 ? 0.1474 0.1811 0.1866 0.0094 -0.0014 0.0039 122 VAL A O 343 C CB . VAL A 41 ? 0.1520 0.1807 0.1873 0.0089 -0.0005 0.0047 122 VAL A CB 344 C CG1 . VAL A 41 ? 0.1535 0.1836 0.1894 0.0096 0.0009 0.0047 122 VAL A CG1 345 C CG2 . VAL A 41 ? 0.1520 0.1779 0.1856 0.0082 -0.0011 0.0050 122 VAL A CG2 346 N N . SER A 42 ? 0.1497 0.1864 0.1922 0.0080 0.0006 0.0041 123 SER A N 347 C CA . SER A 42 ? 0.1524 0.1926 0.1976 0.0086 0.0008 0.0036 123 SER A CA 348 C C . SER A 42 ? 0.1591 0.2012 0.2061 0.0083 0.0026 0.0037 123 SER A C 349 O O . SER A 42 ? 0.1567 0.1978 0.2033 0.0070 0.0034 0.0040 123 SER A O 350 C CB . SER A 42 ? 0.1498 0.1917 0.1970 0.0076 -0.0001 0.0033 123 SER A CB 351 O OG . SER A 42 ? 0.1461 0.1913 0.1960 0.0085 -0.0006 0.0027 123 SER A OG 352 N N . CYS A 43 ? 0.1674 0.2124 0.2165 0.0095 0.0033 0.0033 124 CYS A N 353 C CA . CYS A 43 ? 0.1787 0.2255 0.2293 0.0091 0.0055 0.0033 124 CYS A CA 354 C C . CYS A 43 ? 0.1843 0.2361 0.2399 0.0085 0.0060 0.0028 124 CYS A C 355 O O . CYS A 43 ? 0.1831 0.2373 0.2408 0.0096 0.0046 0.0022 124 CYS A O 356 C CB . CYS A 43 ? 0.1873 0.2328 0.2357 0.0111 0.0065 0.0033 124 CYS A CB 357 S SG . CYS A 43 ? 0.1966 0.2362 0.2392 0.0122 0.0052 0.0038 124 CYS A SG 358 N N . ASP A 44 ? 0.1891 0.2422 0.2463 0.0068 0.0077 0.0029 125 ASP A N 359 C CA . ASP A 44 ? 0.2010 0.2593 0.2634 0.0061 0.0087 0.0023 125 ASP A CA 360 C C . ASP A 44 ? 0.2008 0.2609 0.2641 0.0077 0.0107 0.0021 125 ASP A C 361 O O . ASP A 44 ? 0.1983 0.2551 0.2578 0.0093 0.0111 0.0024 125 ASP A O 362 C CB . ASP A 44 ? 0.2083 0.2669 0.2719 0.0033 0.0098 0.0026 125 ASP A CB 363 C CG . ASP A 44 ? 0.2196 0.2753 0.2803 0.0025 0.0123 0.0032 125 ASP A CG 364 O OD1 . ASP A 44 ? 0.2244 0.2800 0.2841 0.0039 0.0140 0.0032 125 ASP A OD1 365 O OD2 . ASP A 44 ? 0.2414 0.2947 0.3005 0.0007 0.0126 0.0036 125 ASP A OD2 366 N N . PRO A 45 ? 0.2093 0.2747 0.2779 0.0073 0.0120 0.0015 126 PRO A N 367 C CA . PRO A 45 ? 0.2153 0.2827 0.2850 0.0092 0.0141 0.0011 126 PRO A CA 368 C C . PRO A 45 ? 0.2261 0.2896 0.2915 0.0092 0.0170 0.0018 126 PRO A C 369 O O . PRO A 45 ? 0.2333 0.2967 0.2977 0.0113 0.0184 0.0016 126 PRO A O 370 C CB . PRO A 45 ? 0.2158 0.2900 0.2927 0.0082 0.0152 0.0003 126 PRO A CB 371 C CG . PRO A 45 ? 0.2134 0.2891 0.2926 0.0070 0.0122 0.0000 126 PRO A CG 372 C CD . PRO A 45 ? 0.2084 0.2783 0.2823 0.0057 0.0112 0.0009 126 PRO A CD 373 N N . GLY A 46 ? 0.2322 0.2922 0.2946 0.0070 0.0176 0.0025 127 GLY A N 374 C CA . GLY A 46 ? 0.2466 0.3021 0.3041 0.0068 0.0199 0.0032 127 GLY A CA 375 C C . GLY A 46 ? 0.2572 0.3063 0.3083 0.0076 0.0183 0.0039 127 GLY A C 376 O O . GLY A 46 ? 0.2712 0.3166 0.3179 0.0089 0.0194 0.0041 127 GLY A O 377 N N . LYS A 47 ? 0.2571 0.3047 0.3076 0.0068 0.0158 0.0041 128 LYS A N 378 C CA . LYS A 47 ? 0.2584 0.3006 0.3037 0.0072 0.0142 0.0046 128 LYS A CA 379 C C . LYS A 47 ? 0.2327 0.2746 0.2783 0.0072 0.0113 0.0045 128 LYS A C 380 O O . LYS A 47 ? 0.2143 0.2595 0.2636 0.0066 0.0103 0.0042 128 LYS A O 381 C CB . LYS A 47 ? 0.2867 0.3252 0.3289 0.0055 0.0152 0.0052 128 LYS A CB 382 C CG . LYS A 47 ? 0.3043 0.3444 0.3492 0.0032 0.0150 0.0053 128 LYS A CG 383 C CD . LYS A 47 ? 0.3382 0.3771 0.3820 0.0015 0.0175 0.0056 128 LYS A CD 384 C CE . LYS A 47 ? 0.3597 0.3923 0.3974 0.0018 0.0179 0.0063 128 LYS A CE 385 N NZ . LYS A 47 ? 0.3835 0.4147 0.4192 0.0010 0.0212 0.0066 128 LYS A NZ 386 N N . CYS A 48 ? 0.2156 0.2531 0.2571 0.0080 0.0100 0.0049 129 CYS A N 387 C CA . CYS A 48 ? 0.2017 0.2383 0.2429 0.0081 0.0076 0.0048 129 CYS A CA 388 C C . CYS A 48 ? 0.1900 0.2246 0.2304 0.0065 0.0067 0.0052 129 CYS A C 389 O O . CYS A 48 ? 0.1855 0.2177 0.2238 0.0059 0.0074 0.0056 129 CYS A O 390 C CB . CYS A 48 ? 0.2058 0.2393 0.2435 0.0098 0.0066 0.0049 129 CYS A CB 391 S SG . CYS A 48 ? 0.2116 0.2472 0.2500 0.0122 0.0072 0.0044 129 CYS A SG 392 N N . TYR A 49 ? 0.1778 0.2133 0.2196 0.0061 0.0052 0.0050 130 TYR A N 393 C CA . TYR A 49 ? 0.1742 0.2083 0.2159 0.0048 0.0043 0.0052 130 TYR A CA 394 C C . TYR A 49 ? 0.1636 0.1962 0.2042 0.0052 0.0027 0.0051 130 TYR A C 395 O O . TYR A 49 ? 0.1609 0.1942 0.2017 0.0060 0.0020 0.0049 130 TYR A O 396 C CB . TYR A 49 ? 0.1800 0.2168 0.2247 0.0035 0.0045 0.0049 130 TYR A CB 397 C CG . TYR A 49 ? 0.1909 0.2290 0.2368 0.0025 0.0062 0.0050 130 TYR A CG 398 C CD1 . TYR A 49 ? 0.1989 0.2401 0.2469 0.0028 0.0073 0.0047 130 TYR A CD1 399 C CD2 . TYR A 49 ? 0.1995 0.2356 0.2442 0.0013 0.0067 0.0053 130 TYR A CD2 400 C CE1 . TYR A 49 ? 0.2089 0.2514 0.2583 0.0016 0.0091 0.0047 130 TYR A CE1 401 C CE2 . TYR A 49 ? 0.2084 0.2451 0.2536 0.0001 0.0084 0.0054 130 TYR A CE2 402 C CZ . TYR A 49 ? 0.2129 0.2530 0.2607 0.0002 0.0098 0.0051 130 TYR A CZ 403 O OH . TYR A 49 ? 0.2369 0.2776 0.2854 -0.0013 0.0117 0.0052 130 TYR A OH 404 N N . GLN A 50 ? 0.1575 0.1878 0.1969 0.0047 0.0020 0.0053 131 GLN A N 405 C CA . GLN A 50 ? 0.1521 0.1816 0.1915 0.0046 0.0007 0.0052 131 GLN A CA 406 C C . GLN A 50 ? 0.1479 0.1786 0.1893 0.0034 0.0007 0.0050 131 GLN A C 407 O O . GLN A 50 ? 0.1480 0.1789 0.1901 0.0027 0.0012 0.0051 131 GLN A O 408 C CB . GLN A 50 ? 0.1551 0.1817 0.1925 0.0048 -0.0001 0.0054 131 GLN A CB 409 C CG . GLN A 50 ? 0.1580 0.1833 0.1950 0.0044 -0.0001 0.0056 131 GLN A CG 410 C CD . GLN A 50 ? 0.1641 0.1865 0.1991 0.0049 -0.0014 0.0057 131 GLN A CD 411 O OE1 . GLN A 50 ? 0.1673 0.1876 0.1996 0.0057 -0.0015 0.0058 131 GLN A OE1 412 N NE2 . GLN A 50 ? 0.1684 0.1909 0.2050 0.0044 -0.0025 0.0055 131 GLN A NE2 413 N N . PHE A 51 ? 0.1411 0.1721 0.1828 0.0033 0.0001 0.0048 132 PHE A N 414 C CA . PHE A 51 ? 0.1385 0.1701 0.1815 0.0024 0.0000 0.0045 132 PHE A CA 415 C C . PHE A 51 ? 0.1349 0.1653 0.1775 0.0021 -0.0004 0.0045 132 PHE A C 416 O O . PHE A 51 ? 0.1329 0.1621 0.1743 0.0026 -0.0010 0.0046 132 PHE A O 417 C CB . PHE A 51 ? 0.1393 0.1723 0.1827 0.0024 -0.0001 0.0043 132 PHE A CB 418 C CG . PHE A 51 ? 0.1409 0.1760 0.1855 0.0025 0.0003 0.0042 132 PHE A CG 419 C CD1 . PHE A 51 ? 0.1412 0.1772 0.1858 0.0035 0.0005 0.0042 132 PHE A CD1 420 C CD2 . PHE A 51 ? 0.1428 0.1790 0.1888 0.0015 0.0005 0.0040 132 PHE A CD2 421 C CE1 . PHE A 51 ? 0.1442 0.1827 0.1907 0.0035 0.0011 0.0041 132 PHE A CE1 422 C CE2 . PHE A 51 ? 0.1434 0.1819 0.1911 0.0013 0.0009 0.0038 132 PHE A CE2 423 C CZ . PHE A 51 ? 0.1446 0.1845 0.1929 0.0023 0.0013 0.0039 132 PHE A CZ 424 N N . ALA A 52 ? 0.1341 0.1645 0.1778 0.0014 -0.0002 0.0043 133 ALA A N 425 C CA . ALA A 52 ? 0.1364 0.1662 0.1804 0.0009 -0.0002 0.0041 133 ALA A CA 426 C C . ALA A 52 ? 0.1356 0.1657 0.1805 0.0003 0.0005 0.0038 133 ALA A C 427 O O . ALA A 52 ? 0.1366 0.1673 0.1820 0.0002 0.0008 0.0037 133 ALA A O 428 C CB . ALA A 52 ? 0.1378 0.1670 0.1823 0.0011 -0.0008 0.0042 133 ALA A CB 429 N N . LEU A 53 ? 0.1332 0.1629 0.1782 -0.0003 0.0009 0.0035 134 LEU A N 430 C CA . LEU A 53 ? 0.1334 0.1631 0.1791 -0.0008 0.0018 0.0032 134 LEU A CA 431 C C . LEU A 53 ? 0.1318 0.1621 0.1798 -0.0007 0.0021 0.0030 134 LEU A C 432 O O . LEU A 53 ? 0.1286 0.1592 0.1778 -0.0010 0.0020 0.0029 134 LEU A O 433 C CB . LEU A 53 ? 0.1349 0.1634 0.1789 -0.0014 0.0025 0.0030 134 LEU A CB 434 C CG . LEU A 53 ? 0.1383 0.1658 0.1797 -0.0012 0.0019 0.0031 134 LEU A CG 435 C CD1 . LEU A 53 ? 0.1421 0.1675 0.1812 -0.0018 0.0025 0.0030 134 LEU A CD1 436 C CD2 . LEU A 53 ? 0.1390 0.1671 0.1804 -0.0011 0.0016 0.0030 134 LEU A CD2 437 N N . GLY A 54 ? 0.1306 0.1612 0.1794 -0.0004 0.0021 0.0029 135 GLY A N 438 C CA . GLY A 54 ? 0.1288 0.1598 0.1798 0.0000 0.0022 0.0026 135 GLY A CA 439 C C . GLY A 54 ? 0.1303 0.1618 0.1826 -0.0004 0.0035 0.0020 135 GLY A C 440 O O . GLY A 54 ? 0.1292 0.1599 0.1798 -0.0010 0.0044 0.0020 135 GLY A O 441 N N . GLN A 55 ? 0.1307 0.1634 0.1859 0.0000 0.0035 0.0017 136 GLN A N 442 C CA . GLN A 55 ? 0.1333 0.1668 0.1904 -0.0003 0.0051 0.0010 136 GLN A CA 443 C C . GLN A 55 ? 0.1326 0.1662 0.1909 0.0008 0.0054 0.0006 136 GLN A C 444 O O . GLN A 55 ? 0.1381 0.1730 0.1993 0.0011 0.0064 -0.0001 136 GLN A O 445 C CB . GLN A 55 ? 0.1348 0.1702 0.1952 -0.0007 0.0051 0.0008 136 GLN A CB 446 C CG . GLN A 55 ? 0.1360 0.1707 0.1946 -0.0019 0.0052 0.0011 136 GLN A CG 447 C CD . GLN A 55 ? 0.1391 0.1729 0.1964 -0.0029 0.0073 0.0009 136 GLN A CD 448 O OE1 . GLN A 55 ? 0.1433 0.1766 0.1999 -0.0027 0.0086 0.0006 136 GLN A OE1 449 N NE2 . GLN A 55 ? 0.1411 0.1741 0.1972 -0.0040 0.0076 0.0011 136 GLN A NE2 450 N N . GLY A 56 ? 0.1313 0.1634 0.1876 0.0013 0.0046 0.0009 137 GLY A N 451 C CA . GLY A 56 ? 0.1322 0.1633 0.1885 0.0022 0.0047 0.0005 137 GLY A CA 452 C C . GLY A 56 ? 0.1296 0.1618 0.1890 0.0035 0.0038 0.0001 137 GLY A C 453 O O . GLY A 56 ? 0.1318 0.1638 0.1922 0.0046 0.0042 -0.0004 137 GLY A O 454 N N . THR A 57 ? 0.1280 0.1612 0.1887 0.0036 0.0023 0.0004 138 THR A N 455 C CA . THR A 57 ? 0.1274 0.1617 0.1911 0.0049 0.0010 0.0000 138 THR A CA 456 C C . THR A 57 ? 0.1289 0.1629 0.1921 0.0048 -0.0010 0.0005 138 THR A C 457 O O . THR A 57 ? 0.1283 0.1620 0.1898 0.0038 -0.0010 0.0010 138 THR A O 458 C CB . THR A 57 ? 0.1253 0.1628 0.1938 0.0048 0.0019 -0.0008 138 THR A CB 459 O OG1 . THR A 57 ? 0.1256 0.1646 0.1977 0.0062 0.0002 -0.0013 138 THR A OG1 460 C CG2 . THR A 57 ? 0.1238 0.1627 0.1930 0.0032 0.0024 -0.0006 138 THR A CG2 461 N N . THR A 58 ? 0.1284 0.1619 0.1926 0.0062 -0.0029 0.0003 139 THR A N 462 C CA . THR A 58 ? 0.1330 0.1660 0.1969 0.0064 -0.0050 0.0006 139 THR A CA 463 C C . THR A 58 ? 0.1338 0.1701 0.2025 0.0060 -0.0055 0.0000 139 THR A C 464 O O . THR A 58 ? 0.1312 0.1701 0.2036 0.0059 -0.0040 -0.0007 139 THR A O 465 C CB . THR A 58 ? 0.1371 0.1675 0.1993 0.0080 -0.0070 0.0006 139 THR A CB 466 O OG1 . THR A 58 ? 0.1420 0.1733 0.2071 0.0094 -0.0072 -0.0001 139 THR A OG1 467 C CG2 . THR A 58 ? 0.1399 0.1667 0.1969 0.0078 -0.0064 0.0014 139 THR A CG2 468 N N . LEU A 59 ? 0.1357 0.1717 0.2044 0.0059 -0.0074 0.0001 140 LEU A N 469 C CA . LEU A 59 ? 0.1385 0.1774 0.2116 0.0051 -0.0080 -0.0004 140 LEU A CA 470 C C . LEU A 59 ? 0.1422 0.1834 0.2203 0.0065 -0.0095 -0.0014 140 LEU A C 471 O O . LEU A 59 ? 0.1365 0.1815 0.2199 0.0060 -0.0086 -0.0021 140 LEU A O 472 C CB . LEU A 59 ? 0.1392 0.1765 0.2100 0.0044 -0.0096 0.0001 140 LEU A CB 473 C CG . LEU A 59 ? 0.1397 0.1794 0.2142 0.0031 -0.0102 -0.0004 140 LEU A CG 474 C CD1 . LEU A 59 ? 0.1429 0.1804 0.2137 0.0018 -0.0103 0.0002 140 LEU A CD1 475 C CD2 . LEU A 59 ? 0.1432 0.1842 0.2215 0.0041 -0.0132 -0.0011 140 LEU A CD2 476 N N . ASP A 60 ? 0.1504 0.1893 0.2268 0.0082 -0.0119 -0.0013 141 ASP A N 477 C CA . ASP A 60 ? 0.1592 0.1999 0.2399 0.0099 -0.0138 -0.0023 141 ASP A CA 478 C C . ASP A 60 ? 0.1592 0.2002 0.2407 0.0112 -0.0122 -0.0026 141 ASP A C 479 O O . ASP A 60 ? 0.1653 0.2031 0.2435 0.0128 -0.0131 -0.0025 141 ASP A O 480 C CB . ASP A 60 ? 0.1698 0.2069 0.2474 0.0114 -0.0173 -0.0020 141 ASP A CB 481 C CG . ASP A 60 ? 0.1817 0.2209 0.2643 0.0131 -0.0202 -0.0031 141 ASP A CG 482 O OD1 . ASP A 60 ? 0.1808 0.2247 0.2698 0.0134 -0.0193 -0.0041 141 ASP A OD1 483 O OD2 . ASP A 60 ? 0.1962 0.2324 0.2763 0.0142 -0.0234 -0.0030 141 ASP A OD2 484 N N . ASN A 61 ? 0.1544 0.1990 0.2398 0.0104 -0.0096 -0.0032 142 ASN A N 485 C CA . ASN A 61 ? 0.1530 0.1976 0.2382 0.0111 -0.0072 -0.0035 142 ASN A CA 486 C C . ASN A 61 ? 0.1516 0.2006 0.2420 0.0100 -0.0046 -0.0042 142 ASN A C 487 O O . ASN A 61 ? 0.1439 0.1939 0.2345 0.0079 -0.0035 -0.0039 142 ASN A O 488 C CB . ASN A 61 ? 0.1493 0.1901 0.2281 0.0100 -0.0056 -0.0024 142 ASN A CB 489 C CG . ASN A 61 ? 0.1503 0.1899 0.2275 0.0107 -0.0036 -0.0026 142 ASN A CG 490 O OD1 . ASN A 61 ? 0.1525 0.1945 0.2331 0.0110 -0.0018 -0.0034 142 ASN A OD1 491 N ND2 . ASN A 61 ? 0.1510 0.1866 0.2228 0.0108 -0.0037 -0.0019 142 ASN A ND2 492 N N . LYS A 62 ? 0.1560 0.2074 0.2505 0.0114 -0.0036 -0.0052 143 LYS A N 493 C CA . LYS A 62 ? 0.1577 0.2134 0.2573 0.0103 -0.0007 -0.0060 143 LYS A CA 494 C C . LYS A 62 ? 0.1530 0.2070 0.2487 0.0083 0.0025 -0.0054 143 LYS A C 495 O O . LYS A 62 ? 0.1499 0.2065 0.2483 0.0066 0.0048 -0.0056 143 LYS A O 496 C CB . LYS A 62 ? 0.1655 0.2238 0.2699 0.0125 0.0001 -0.0072 143 LYS A CB 497 C CG . LYS A 62 ? 0.1760 0.2375 0.2864 0.0143 -0.0030 -0.0081 143 LYS A CG 498 C CD . LYS A 62 ? 0.1896 0.2538 0.3048 0.0169 -0.0023 -0.0094 143 LYS A CD 499 C CE . LYS A 62 ? 0.2027 0.2705 0.3244 0.0187 -0.0057 -0.0104 143 LYS A CE 500 N NZ . LYS A 62 ? 0.2174 0.2883 0.3445 0.0214 -0.0050 -0.0118 143 LYS A NZ 501 N N . HIS A 63 ? 0.1494 0.1990 0.2386 0.0084 0.0027 -0.0045 144 HIS A N 502 C CA . HIS A 63 ? 0.1486 0.1964 0.2337 0.0066 0.0051 -0.0040 144 HIS A CA 503 C C . HIS A 63 ? 0.1526 0.2002 0.2362 0.0045 0.0049 -0.0032 144 HIS A C 504 O O . HIS A 63 ? 0.1477 0.1940 0.2285 0.0030 0.0069 -0.0029 144 HIS A O 505 C CB . HIS A 63 ? 0.1474 0.1909 0.2266 0.0072 0.0051 -0.0034 144 HIS A CB 506 C CG . HIS A 63 ? 0.1459 0.1886 0.2253 0.0091 0.0058 -0.0040 144 HIS A CG 507 N ND1 . HIS A 63 ? 0.1459 0.1876 0.2256 0.0111 0.0036 -0.0042 144 HIS A ND1 508 C CD2 . HIS A 63 ? 0.1475 0.1899 0.2267 0.0094 0.0084 -0.0046 144 HIS A CD2 509 C CE1 . HIS A 63 ? 0.1490 0.1897 0.2286 0.0127 0.0048 -0.0049 144 HIS A CE1 510 N NE2 . HIS A 63 ? 0.1479 0.1891 0.2272 0.0117 0.0077 -0.0051 144 HIS A NE2 511 N N . SER A 64 ? 0.1604 0.2088 0.2455 0.0044 0.0024 -0.0031 145 SER A N 512 C CA . SER A 64 ? 0.1735 0.2215 0.2573 0.0026 0.0020 -0.0025 145 SER A CA 513 C C . SER A 64 ? 0.1940 0.2447 0.2813 0.0008 0.0041 -0.0029 145 SER A C 514 O O . SER A 64 ? 0.1934 0.2431 0.2786 -0.0010 0.0046 -0.0024 145 SER A O 515 C CB . SER A 64 ? 0.1692 0.2171 0.2537 0.0030 -0.0013 -0.0023 145 SER A CB 516 O OG . SER A 64 ? 0.1691 0.2208 0.2599 0.0033 -0.0022 -0.0032 145 SER A OG 517 N N . ASN A 65 ? 0.2219 0.2759 0.3144 0.0013 0.0055 -0.0039 146 ASN A N 518 C CA . ASN A 65 ? 0.2581 0.3153 0.3549 -0.0005 0.0078 -0.0045 146 ASN A CA 519 C C . ASN A 65 ? 0.2685 0.3231 0.3607 -0.0021 0.0108 -0.0040 146 ASN A C 520 O O . ASN A 65 ? 0.2681 0.3202 0.3563 -0.0014 0.0121 -0.0038 146 ASN A O 521 C CB . ASN A 65 ? 0.2776 0.3389 0.3809 0.0008 0.0090 -0.0058 146 ASN A CB 522 C CG . ASN A 65 ? 0.3128 0.3784 0.4222 -0.0010 0.0109 -0.0065 146 ASN A CG 523 O OD1 . ASN A 65 ? 0.3201 0.3848 0.4278 -0.0035 0.0123 -0.0061 146 ASN A OD1 524 N ND2 . ASN A 65 ? 0.3382 0.4086 0.4550 0.0003 0.0109 -0.0078 146 ASN A ND2 525 N N . ASP A 66 ? 0.2936 0.3483 0.3858 -0.0044 0.0114 -0.0038 147 ASP A N 526 C CA . ASP A 66 ? 0.3037 0.3556 0.3915 -0.0061 0.0142 -0.0034 147 ASP A CA 527 C C . ASP A 66 ? 0.3024 0.3496 0.3827 -0.0057 0.0134 -0.0024 147 ASP A C 528 O O . ASP A 66 ? 0.3040 0.3486 0.3802 -0.0063 0.0156 -0.0022 147 ASP A O 529 C CB . ASP A 66 ? 0.3157 0.3689 0.4054 -0.0063 0.0178 -0.0041 147 ASP A CB 530 C CG . ASP A 66 ? 0.3220 0.3732 0.4087 -0.0086 0.0208 -0.0039 147 ASP A CG 531 O OD1 . ASP A 66 ? 0.3301 0.3800 0.4153 -0.0104 0.0200 -0.0034 147 ASP A OD1 532 O OD2 . ASP A 66 ? 0.3260 0.3763 0.4114 -0.0087 0.0240 -0.0042 147 ASP A OD2 533 N N . THR A 67 ? 0.2941 0.3403 0.3728 -0.0048 0.0105 -0.0019 148 THR A N 534 C CA . THR A 67 ? 0.2900 0.3324 0.3625 -0.0046 0.0096 -0.0010 148 THR A CA 535 C C . THR A 67 ? 0.2991 0.3391 0.3680 -0.0062 0.0097 -0.0004 148 THR A C 536 O O . THR A 67 ? 0.2893 0.3267 0.3537 -0.0059 0.0086 0.0003 148 THR A O 537 C CB . THR A 67 ? 0.2810 0.3230 0.3528 -0.0031 0.0067 -0.0006 148 THR A CB 538 O OG1 . THR A 67 ? 0.2830 0.3269 0.3584 -0.0031 0.0048 -0.0008 148 THR A OG1 539 C CG2 . THR A 67 ? 0.2790 0.3213 0.3516 -0.0013 0.0067 -0.0010 148 THR A CG2 540 N N . VAL A 68 ? 0.3113 0.3522 0.3821 -0.0080 0.0111 -0.0007 149 VAL A N 541 C CA . VAL A 68 ? 0.3209 0.3587 0.3875 -0.0096 0.0116 -0.0001 149 VAL A CA 542 C C . VAL A 68 ? 0.3243 0.3586 0.3854 -0.0097 0.0133 0.0002 149 VAL A C 543 O O . VAL A 68 ? 0.3268 0.3577 0.3829 -0.0102 0.0128 0.0008 149 VAL A O 544 C CB . VAL A 68 ? 0.3242 0.3634 0.3939 -0.0119 0.0130 -0.0005 149 VAL A CB 545 C CG1 . VAL A 68 ? 0.3314 0.3717 0.4030 -0.0127 0.0166 -0.0011 149 VAL A CG1 546 C CG2 . VAL A 68 ? 0.3289 0.3642 0.3937 -0.0134 0.0127 0.0001 149 VAL A CG2 547 N N . HIS A 69 ? 0.3201 0.3550 0.3818 -0.0090 0.0151 -0.0002 150 HIS A N 548 C CA . HIS A 69 ? 0.3257 0.3570 0.3819 -0.0091 0.0166 0.0000 150 HIS A CA 549 C C . HIS A 69 ? 0.3099 0.3389 0.3618 -0.0079 0.0143 0.0006 150 HIS A C 550 O O . HIS A 69 ? 0.2949 0.3254 0.3484 -0.0066 0.0124 0.0007 150 HIS A O 551 C CB . HIS A 69 ? 0.3425 0.3747 0.4001 -0.0084 0.0188 -0.0007 150 HIS A CB 552 C CG . HIS A 69 ? 0.3580 0.3928 0.4201 -0.0095 0.0214 -0.0014 150 HIS A CG 553 N ND1 . HIS A 69 ? 0.3719 0.4051 0.4326 -0.0116 0.0236 -0.0014 150 HIS A ND1 554 C CD2 . HIS A 69 ? 0.3655 0.4045 0.4339 -0.0088 0.0223 -0.0022 150 HIS A CD2 555 C CE1 . HIS A 69 ? 0.3759 0.4126 0.4420 -0.0123 0.0259 -0.0021 150 HIS A CE1 556 N NE2 . HIS A 69 ? 0.3745 0.4149 0.4456 -0.0106 0.0251 -0.0027 150 HIS A NE2 557 N N . ASP A 70 ? 0.2960 0.3211 0.3423 -0.0084 0.0147 0.0009 151 ASP A N 558 C CA . ASP A 70 ? 0.2902 0.3133 0.3328 -0.0074 0.0125 0.0015 151 ASP A CA 559 C C . ASP A 70 ? 0.2640 0.2867 0.3052 -0.0063 0.0122 0.0013 151 ASP A C 560 O O . ASP A 70 ? 0.2700 0.2930 0.3107 -0.0053 0.0102 0.0016 151 ASP A O 561 C CB . ASP A 70 ? 0.3080 0.3270 0.3451 -0.0082 0.0125 0.0019 151 ASP A CB 562 C CG . ASP A 70 ? 0.3268 0.3455 0.3642 -0.0092 0.0122 0.0021 151 ASP A CG 563 O OD1 . ASP A 70 ? 0.3310 0.3515 0.3706 -0.0086 0.0102 0.0023 151 ASP A OD1 564 O OD2 . ASP A 70 ? 0.3307 0.3470 0.3660 -0.0107 0.0139 0.0021 151 ASP A OD2 565 N N . ARG A 71 ? 0.2397 0.2615 0.2803 -0.0065 0.0143 0.0009 152 ARG A N 566 C CA . ARG A 71 ? 0.2225 0.2427 0.2605 -0.0057 0.0140 0.0007 152 ARG A CA 567 C C . ARG A 71 ? 0.2216 0.2433 0.2623 -0.0052 0.0157 0.0001 152 ARG A C 568 O O . ARG A 71 ? 0.2437 0.2647 0.2844 -0.0058 0.0183 -0.0004 152 ARG A O 569 C CB . ARG A 71 ? 0.2198 0.2354 0.2517 -0.0062 0.0146 0.0008 152 ARG A CB 570 C CG . ARG A 71 ? 0.2150 0.2289 0.2439 -0.0063 0.0127 0.0014 152 ARG A CG 571 C CD . ARG A 71 ? 0.2137 0.2225 0.2360 -0.0067 0.0130 0.0014 152 ARG A CD 572 N NE . ARG A 71 ? 0.2124 0.2189 0.2330 -0.0079 0.0160 0.0012 152 ARG A NE 573 C CZ . ARG A 71 ? 0.2146 0.2207 0.2354 -0.0091 0.0172 0.0014 152 ARG A CZ 574 N NH1 . ARG A 71 ? 0.2106 0.2179 0.2328 -0.0092 0.0156 0.0018 152 ARG A NH1 575 N NH2 . ARG A 71 ? 0.2208 0.2249 0.2401 -0.0104 0.0203 0.0012 152 ARG A NH2 576 N N . ILE A 72 ? 0.1932 0.2167 0.2362 -0.0041 0.0143 0.0000 153 ILE A N 577 C CA . ILE A 72 ? 0.1816 0.2056 0.2261 -0.0033 0.0153 -0.0006 153 ILE A CA 578 C C . ILE A 72 ? 0.1724 0.1951 0.2147 -0.0026 0.0135 -0.0004 153 ILE A C 579 O O . ILE A 72 ? 0.1651 0.1881 0.2068 -0.0027 0.0115 0.0001 153 ILE A O 580 C CB . ILE A 72 ? 0.1780 0.2058 0.2284 -0.0026 0.0154 -0.0009 153 ILE A CB 581 C CG1 . ILE A 72 ? 0.1722 0.2018 0.2245 -0.0021 0.0128 -0.0005 153 ILE A CG1 582 C CG2 . ILE A 72 ? 0.1803 0.2098 0.2336 -0.0035 0.0174 -0.0013 153 ILE A CG2 583 C CD1 . ILE A 72 ? 0.1722 0.2049 0.2297 -0.0012 0.0124 -0.0008 153 ILE A CD1 584 N N . PRO A 73 ? 0.1702 0.1914 0.2113 -0.0021 0.0143 -0.0009 154 PRO A N 585 C CA . PRO A 73 ? 0.1670 0.1866 0.2058 -0.0018 0.0126 -0.0008 154 PRO A CA 586 C C . PRO A 73 ? 0.1581 0.1798 0.1997 -0.0013 0.0108 -0.0005 154 PRO A C 587 O O . PRO A 73 ? 0.1602 0.1809 0.2002 -0.0014 0.0095 -0.0003 154 PRO A O 588 C CB . PRO A 73 ? 0.1748 0.1919 0.2115 -0.0014 0.0141 -0.0014 154 PRO A CB 589 C CG . PRO A 73 ? 0.1788 0.1965 0.2171 -0.0012 0.0167 -0.0019 154 PRO A CG 590 C CD . PRO A 73 ? 0.1745 0.1955 0.2166 -0.0016 0.0167 -0.0016 154 PRO A CD 591 N N . HIS A 74 ? 0.1520 0.1764 0.1976 -0.0007 0.0108 -0.0005 155 HIS A N 592 C CA . HIS A 74 ? 0.1440 0.1698 0.1917 -0.0001 0.0093 -0.0002 155 HIS A CA 593 C C . HIS A 74 ? 0.1402 0.1672 0.1882 -0.0005 0.0077 0.0005 155 HIS A C 594 O O . HIS A 74 ? 0.1397 0.1673 0.1886 -0.0001 0.0065 0.0008 155 HIS A O 595 C CB . HIS A 74 ? 0.1440 0.1717 0.1955 0.0010 0.0098 -0.0007 155 HIS A CB 596 C CG . HIS A 74 ? 0.1460 0.1728 0.1975 0.0015 0.0118 -0.0014 155 HIS A CG 597 N ND1 . HIS A 74 ? 0.1496 0.1737 0.1982 0.0019 0.0121 -0.0017 155 HIS A ND1 598 C CD2 . HIS A 74 ? 0.1482 0.1764 0.2019 0.0016 0.0138 -0.0020 155 HIS A CD2 599 C CE1 . HIS A 74 ? 0.1512 0.1747 0.2000 0.0025 0.0142 -0.0024 155 HIS A CE1 600 N NE2 . HIS A 74 ? 0.1512 0.1774 0.2032 0.0023 0.0154 -0.0026 155 HIS A NE2 601 N N . ARG A 75 ? 0.1388 0.1658 0.1857 -0.0012 0.0079 0.0007 156 ARG A N 602 C CA . ARG A 75 ? 0.1359 0.1636 0.1826 -0.0015 0.0065 0.0013 156 ARG A CA 603 C C . ARG A 75 ? 0.1334 0.1603 0.1782 -0.0016 0.0054 0.0015 156 ARG A C 604 O O . ARG A 75 ? 0.1299 0.1553 0.1725 -0.0019 0.0055 0.0013 156 ARG A O 605 C CB . ARG A 75 ? 0.1392 0.1664 0.1846 -0.0021 0.0068 0.0014 156 ARG A CB 606 C CG . ARG A 75 ? 0.1413 0.1694 0.1889 -0.0024 0.0081 0.0012 156 ARG A CG 607 C CD . ARG A 75 ? 0.1420 0.1698 0.1887 -0.0031 0.0079 0.0015 156 ARG A CD 608 N NE . ARG A 75 ? 0.1412 0.1703 0.1893 -0.0028 0.0063 0.0019 156 ARG A NE 609 C CZ . ARG A 75 ? 0.1438 0.1724 0.1912 -0.0032 0.0058 0.0022 156 ARG A CZ 610 N NH1 . ARG A 75 ? 0.1461 0.1730 0.1913 -0.0041 0.0068 0.0022 156 ARG A NH1 611 N NH2 . ARG A 75 ? 0.1427 0.1721 0.1910 -0.0028 0.0043 0.0025 156 ARG A NH2 612 N N . THR A 76 ? 0.1323 0.1603 0.1781 -0.0013 0.0043 0.0019 157 THR A N 613 C CA . THR A 76 ? 0.1323 0.1602 0.1771 -0.0015 0.0034 0.0022 157 THR A CA 614 C C . THR A 76 ? 0.1312 0.1604 0.1765 -0.0013 0.0026 0.0027 157 THR A C 615 O O . THR A 76 ? 0.1315 0.1612 0.1778 -0.0009 0.0025 0.0028 157 THR A O 616 C CB . THR A 76 ? 0.1361 0.1635 0.1813 -0.0014 0.0034 0.0022 157 THR A CB 617 O OG1 . THR A 76 ? 0.1396 0.1675 0.1864 -0.0006 0.0031 0.0023 157 THR A OG1 618 C CG2 . THR A 76 ? 0.1384 0.1641 0.1827 -0.0014 0.0041 0.0017 157 THR A CG2 619 N N . LEU A 77 ? 0.1307 0.1603 0.1753 -0.0015 0.0020 0.0028 158 LEU A N 620 C CA . LEU A 77 ? 0.1298 0.1606 0.1747 -0.0012 0.0015 0.0032 158 LEU A CA 621 C C . LEU A 77 ? 0.1308 0.1618 0.1764 -0.0010 0.0015 0.0035 158 LEU A C 622 O O . LEU A 77 ? 0.1330 0.1639 0.1786 -0.0015 0.0017 0.0034 158 LEU A O 623 C CB . LEU A 77 ? 0.1287 0.1603 0.1731 -0.0013 0.0009 0.0031 158 LEU A CB 624 C CG . LEU A 77 ? 0.1280 0.1610 0.1729 -0.0007 0.0004 0.0033 158 LEU A CG 625 C CD1 . LEU A 77 ? 0.1299 0.1622 0.1740 0.0000 0.0002 0.0035 158 LEU A CD1 626 C CD2 . LEU A 77 ? 0.1296 0.1638 0.1746 -0.0007 -0.0003 0.0031 158 LEU A CD2 627 N N . LEU A 78 ? 0.1302 0.1612 0.1760 -0.0004 0.0013 0.0037 159 LEU A N 628 C CA . LEU A 78 ? 0.1316 0.1622 0.1773 -0.0001 0.0012 0.0041 159 LEU A CA 629 C C . LEU A 78 ? 0.1341 0.1654 0.1792 0.0002 0.0013 0.0043 159 LEU A C 630 O O . LEU A 78 ? 0.1302 0.1623 0.1753 0.0006 0.0010 0.0043 159 LEU A O 631 C CB . LEU A 78 ? 0.1336 0.1632 0.1793 0.0006 0.0007 0.0041 159 LEU A CB 632 C CG . LEU A 78 ? 0.1355 0.1650 0.1825 0.0006 0.0008 0.0037 159 LEU A CG 633 C CD1 . LEU A 78 ? 0.1379 0.1670 0.1857 0.0013 0.0000 0.0037 159 LEU A CD1 634 C CD2 . LEU A 78 ? 0.1391 0.1676 0.1859 0.0005 0.0011 0.0036 159 LEU A CD2 635 N N . MET A 79 ? 0.1372 0.1683 0.1820 0.0000 0.0018 0.0046 160 MET A N 636 C CA . MET A 79 ? 0.1406 0.1727 0.1852 0.0002 0.0022 0.0048 160 MET A CA 637 C C . MET A 79 ? 0.1444 0.1747 0.1874 0.0003 0.0028 0.0052 160 MET A C 638 O O . MET A 79 ? 0.1454 0.1748 0.1881 -0.0005 0.0034 0.0053 160 MET A O 639 C CB . MET A 79 ? 0.1449 0.1792 0.1910 -0.0006 0.0026 0.0045 160 MET A CB 640 C CG . MET A 79 ? 0.1497 0.1860 0.1967 -0.0003 0.0033 0.0046 160 MET A CG 641 S SD . MET A 79 ? 0.1533 0.1926 0.2030 -0.0015 0.0035 0.0042 160 MET A SD 642 C CE . MET A 79 ? 0.1581 0.2002 0.2093 -0.0009 0.0046 0.0041 160 MET A CE 643 N N . ASN A 80 ? 0.1462 0.1756 0.1879 0.0013 0.0027 0.0054 161 ASN A N 644 C CA . ASN A 80 ? 0.1544 0.1815 0.1937 0.0015 0.0033 0.0058 161 ASN A CA 645 C C . ASN A 80 ? 0.1557 0.1836 0.1944 0.0022 0.0041 0.0059 161 ASN A C 646 O O . ASN A 80 ? 0.1501 0.1798 0.1899 0.0028 0.0038 0.0057 161 ASN A O 647 C CB . ASN A 80 ? 0.1594 0.1837 0.1968 0.0023 0.0021 0.0059 161 ASN A CB 648 C CG . ASN A 80 ? 0.1639 0.1865 0.2011 0.0020 0.0015 0.0059 161 ASN A CG 649 O OD1 . ASN A 80 ? 0.1710 0.1938 0.2087 0.0011 0.0023 0.0059 161 ASN A OD1 650 N ND2 . ASN A 80 ? 0.1633 0.1843 0.2000 0.0028 0.0001 0.0058 161 ASN A ND2 651 N N . GLU A 81 ? 0.1656 0.1917 0.2021 0.0023 0.0053 0.0062 162 GLU A N 652 C CA . GLU A 81 ? 0.1734 0.1994 0.2086 0.0033 0.0061 0.0063 162 GLU A CA 653 C C . GLU A 81 ? 0.1635 0.1876 0.1968 0.0045 0.0046 0.0063 162 GLU A C 654 O O . GLU A 81 ? 0.1548 0.1765 0.1869 0.0046 0.0032 0.0064 162 GLU A O 655 C CB . GLU A 81 ? 0.1960 0.2193 0.2282 0.0031 0.0078 0.0067 162 GLU A CB 656 C CG . GLU A 81 ? 0.2155 0.2412 0.2496 0.0018 0.0099 0.0067 162 GLU A CG 657 C CD . GLU A 81 ? 0.2405 0.2637 0.2714 0.0018 0.0121 0.0070 162 GLU A CD 658 O OE1 . GLU A 81 ? 0.2653 0.2879 0.2946 0.0031 0.0127 0.0070 162 GLU A OE1 659 O OE2 . GLU A 81 ? 0.2696 0.2909 0.2991 0.0005 0.0132 0.0073 162 GLU A OE2 660 N N . LEU A 82 ? 0.1569 0.1818 0.1901 0.0056 0.0047 0.0061 163 LEU A N 661 C CA . LEU A 82 ? 0.1577 0.1805 0.1889 0.0066 0.0032 0.0061 163 LEU A CA 662 C C . LEU A 82 ? 0.1570 0.1755 0.1842 0.0070 0.0027 0.0064 163 LEU A C 663 O O . LEU A 82 ? 0.1554 0.1720 0.1800 0.0074 0.0040 0.0067 163 LEU A O 664 C CB . LEU A 82 ? 0.1615 0.1853 0.1924 0.0079 0.0037 0.0059 163 LEU A CB 665 C CG . LEU A 82 ? 0.1654 0.1866 0.1937 0.0089 0.0022 0.0059 163 LEU A CG 666 C CD1 . LEU A 82 ? 0.1630 0.1844 0.1927 0.0082 0.0004 0.0057 163 LEU A CD1 667 C CD2 . LEU A 82 ? 0.1702 0.1920 0.1979 0.0104 0.0028 0.0056 163 LEU A CD2 668 N N . GLY A 83 ? 0.1560 0.1728 0.1828 0.0070 0.0007 0.0064 164 GLY A N 669 C CA . GLY A 83 ? 0.1598 0.1723 0.1830 0.0074 -0.0005 0.0066 164 GLY A CA 670 C C . GLY A 83 ? 0.1611 0.1724 0.1843 0.0068 -0.0010 0.0067 164 GLY A C 671 O O . GLY A 83 ? 0.1638 0.1716 0.1844 0.0073 -0.0025 0.0068 164 GLY A O 672 N N . VAL A 84 ? 0.1564 0.1703 0.1824 0.0059 0.0000 0.0067 165 VAL A N 673 C CA . VAL A 84 ? 0.1581 0.1709 0.1844 0.0054 -0.0006 0.0067 165 VAL A CA 674 C C . VAL A 84 ? 0.1592 0.1742 0.1890 0.0052 -0.0020 0.0063 165 VAL A C 675 O O . VAL A 84 ? 0.1521 0.1705 0.1850 0.0046 -0.0014 0.0061 165 VAL A O 676 C CB . VAL A 84 ? 0.1584 0.1723 0.1855 0.0044 0.0013 0.0069 165 VAL A CB 677 C CG1 . VAL A 84 ? 0.1585 0.1709 0.1856 0.0041 0.0005 0.0069 165 VAL A CG1 678 C CG2 . VAL A 84 ? 0.1620 0.1741 0.1860 0.0044 0.0033 0.0073 165 VAL A CG2 679 N N . PRO A 85 ? 0.1626 0.1758 0.1920 0.0057 -0.0040 0.0062 166 PRO A N 680 C CA . PRO A 85 ? 0.1624 0.1782 0.1957 0.0054 -0.0051 0.0057 166 PRO A CA 681 C C . PRO A 85 ? 0.1563 0.1740 0.1921 0.0048 -0.0043 0.0055 166 PRO A C 682 O O . PRO A 85 ? 0.1551 0.1714 0.1894 0.0047 -0.0035 0.0058 166 PRO A O 683 C CB . PRO A 85 ? 0.1673 0.1809 0.1999 0.0061 -0.0074 0.0055 166 PRO A CB 684 C CG . PRO A 85 ? 0.1715 0.1809 0.1997 0.0068 -0.0077 0.0059 166 PRO A CG 685 C CD . PRO A 85 ? 0.1700 0.1790 0.1958 0.0065 -0.0054 0.0063 166 PRO A CD 686 N N . PHE A 86 ? 0.1557 0.1760 0.1950 0.0044 -0.0045 0.0051 167 PHE A N 687 C CA . PHE A 86 ? 0.1552 0.1770 0.1965 0.0039 -0.0036 0.0049 167 PHE A CA 688 C C . PHE A 86 ? 0.1620 0.1825 0.2037 0.0045 -0.0046 0.0047 167 PHE A C 689 O O . PHE A 86 ? 0.1603 0.1822 0.2048 0.0048 -0.0053 0.0042 167 PHE A O 690 C CB . PHE A 86 ? 0.1533 0.1780 0.1974 0.0032 -0.0030 0.0045 167 PHE A CB 691 C CG . PHE A 86 ? 0.1517 0.1775 0.1952 0.0028 -0.0022 0.0047 167 PHE A CG 692 C CD1 . PHE A 86 ? 0.1526 0.1786 0.1951 0.0025 -0.0011 0.0049 167 PHE A CD1 693 C CD2 . PHE A 86 ? 0.1526 0.1790 0.1965 0.0027 -0.0025 0.0046 167 PHE A CD2 694 C CE1 . PHE A 86 ? 0.1512 0.1784 0.1934 0.0023 -0.0005 0.0050 167 PHE A CE1 695 C CE2 . PHE A 86 ? 0.1514 0.1783 0.1944 0.0026 -0.0020 0.0047 167 PHE A CE2 696 C CZ . PHE A 86 ? 0.1506 0.1781 0.1929 0.0025 -0.0010 0.0049 167 PHE A CZ 697 N N . HIS A 87 ? 0.1696 0.1871 0.2081 0.0049 -0.0046 0.0050 168 HIS A N 698 C CA . HIS A 87 ? 0.1765 0.1917 0.2143 0.0057 -0.0056 0.0049 168 HIS A CA 699 C C . HIS A 87 ? 0.1753 0.1911 0.2140 0.0051 -0.0043 0.0047 168 HIS A C 700 O O . HIS A 87 ? 0.1691 0.1871 0.2089 0.0041 -0.0029 0.0047 168 HIS A O 701 C CB . HIS A 87 ? 0.1836 0.1944 0.2165 0.0062 -0.0060 0.0054 168 HIS A CB 702 C CG . HIS A 87 ? 0.1905 0.2003 0.2208 0.0052 -0.0039 0.0059 168 HIS A CG 703 N ND1 . HIS A 87 ? 0.1959 0.2036 0.2244 0.0047 -0.0030 0.0061 168 HIS A ND1 704 C CD2 . HIS A 87 ? 0.1914 0.2023 0.2211 0.0045 -0.0025 0.0063 168 HIS A CD2 705 C CE1 . HIS A 87 ? 0.1981 0.2059 0.2253 0.0035 -0.0011 0.0065 168 HIS A CE1 706 N NE2 . HIS A 87 ? 0.1960 0.2059 0.2241 0.0035 -0.0007 0.0066 168 HIS A NE2 707 N N . LEU A 88 ? 0.1805 0.1940 0.2182 0.0060 -0.0051 0.0046 169 LEU A N 708 C CA . LEU A 88 ? 0.1825 0.1962 0.2210 0.0057 -0.0042 0.0043 169 LEU A CA 709 C C . LEU A 88 ? 0.1798 0.1919 0.2156 0.0043 -0.0026 0.0047 169 LEU A C 710 O O . LEU A 88 ? 0.1818 0.1942 0.2181 0.0038 -0.0017 0.0045 169 LEU A O 711 C CB . LEU A 88 ? 0.1956 0.2070 0.2338 0.0072 -0.0056 0.0039 169 LEU A CB 712 C CG . LEU A 88 ? 0.2005 0.2148 0.2431 0.0084 -0.0067 0.0031 169 LEU A CG 713 C CD1 . LEU A 88 ? 0.2122 0.2241 0.2544 0.0102 -0.0084 0.0027 169 LEU A CD1 714 C CD2 . LEU A 88 ? 0.1997 0.2175 0.2456 0.0076 -0.0050 0.0027 169 LEU A CD2 715 N N . GLY A 89 ? 0.1774 0.1878 0.2104 0.0038 -0.0021 0.0053 170 GLY A N 716 C CA . GLY A 89 ? 0.1740 0.1839 0.2054 0.0022 -0.0003 0.0057 170 GLY A CA 717 C C . GLY A 89 ? 0.1665 0.1805 0.2004 0.0011 0.0008 0.0057 170 GLY A C 718 O O . GLY A 89 ? 0.1668 0.1812 0.2003 -0.0002 0.0022 0.0059 170 GLY A O 719 N N . THR A 90 ? 0.1587 0.1755 0.1953 0.0017 0.0002 0.0053 171 THR A N 720 C CA . THR A 90 ? 0.1537 0.1740 0.1925 0.0009 0.0010 0.0052 171 THR A CA 721 C C . THR A 90 ? 0.1523 0.1739 0.1923 -0.0001 0.0017 0.0049 171 THR A C 722 O O . THR A 90 ? 0.1508 0.1717 0.1913 0.0000 0.0015 0.0046 171 THR A O 723 C CB . THR A 90 ? 0.1508 0.1731 0.1917 0.0016 0.0001 0.0049 171 THR A CB 724 O OG1 . THR A 90 ? 0.1536 0.1746 0.1932 0.0025 -0.0008 0.0052 171 THR A OG1 725 C CG2 . THR A 90 ? 0.1505 0.1756 0.1929 0.0010 0.0008 0.0048 171 THR A CG2 726 N N . ARG A 91 ? 0.1521 0.1755 0.1927 -0.0012 0.0026 0.0050 172 ARG A N 727 C CA . ARG A 91 ? 0.1547 0.1793 0.1964 -0.0023 0.0030 0.0047 172 ARG A CA 728 C C . ARG A 91 ? 0.1497 0.1764 0.1931 -0.0020 0.0025 0.0043 172 ARG A C 729 O O . ARG A 91 ? 0.1489 0.1773 0.1932 -0.0016 0.0023 0.0043 172 ARG A O 730 C CB . ARG A 91 ? 0.1590 0.1849 0.2011 -0.0036 0.0038 0.0048 172 ARG A CB 731 C CG . ARG A 91 ? 0.1650 0.1917 0.2079 -0.0049 0.0039 0.0044 172 ARG A CG 732 C CD . ARG A 91 ? 0.1725 0.2005 0.2162 -0.0064 0.0047 0.0045 172 ARG A CD 733 N NE . ARG A 91 ? 0.1796 0.2109 0.2253 -0.0060 0.0049 0.0045 172 ARG A NE 734 C CZ . ARG A 91 ? 0.1870 0.2214 0.2351 -0.0063 0.0044 0.0041 172 ARG A CZ 735 N NH1 . ARG A 91 ? 0.1967 0.2339 0.2464 -0.0055 0.0045 0.0040 172 ARG A NH1 736 N NH2 . ARG A 91 ? 0.1861 0.2206 0.2346 -0.0072 0.0036 0.0036 172 ARG A NH2 737 N N . GLN A 92 ? 0.1505 0.1765 0.1940 -0.0022 0.0025 0.0039 173 GLN A N 738 C CA . GLN A 92 ? 0.1509 0.1781 0.1953 -0.0022 0.0024 0.0034 173 GLN A CA 739 C C . GLN A 92 ? 0.1586 0.1868 0.2030 -0.0033 0.0024 0.0033 173 GLN A C 740 O O . GLN A 92 ? 0.1635 0.1904 0.2072 -0.0042 0.0025 0.0031 173 GLN A O 741 C CB . GLN A 92 ? 0.1486 0.1744 0.1928 -0.0017 0.0025 0.0030 173 GLN A CB 742 C CG . GLN A 92 ? 0.1456 0.1710 0.1905 -0.0005 0.0022 0.0031 173 GLN A CG 743 C CD . GLN A 92 ? 0.1463 0.1705 0.1914 0.0001 0.0025 0.0026 173 GLN A CD 744 O OE1 . GLN A 92 ? 0.1442 0.1692 0.1904 0.0002 0.0030 0.0021 173 GLN A OE1 745 N NE2 . GLN A 92 ? 0.1502 0.1722 0.1942 0.0005 0.0023 0.0026 173 GLN A NE2 746 N N . VAL A 93 ? 0.1654 0.1956 0.2107 -0.0032 0.0021 0.0033 174 VAL A N 747 C CA . VAL A 93 ? 0.1754 0.2072 0.2214 -0.0041 0.0018 0.0031 174 VAL A CA 748 C C . VAL A 93 ? 0.1758 0.2068 0.2210 -0.0046 0.0012 0.0026 174 VAL A C 749 O O . VAL A 93 ? 0.1846 0.2160 0.2300 -0.0057 0.0008 0.0023 174 VAL A O 750 C CB . VAL A 93 ? 0.1829 0.2170 0.2300 -0.0034 0.0015 0.0032 174 VAL A CB 751 C CG1 . VAL A 93 ? 0.1943 0.2304 0.2426 -0.0040 0.0008 0.0029 174 VAL A CG1 752 C CG2 . VAL A 93 ? 0.1863 0.2208 0.2337 -0.0031 0.0022 0.0037 174 VAL A CG2 753 N N . CYS A 94 ? 0.1716 0.2014 0.2157 -0.0039 0.0013 0.0024 175 CYS A N 754 C CA . CYS A 94 ? 0.1733 0.2016 0.2158 -0.0043 0.0010 0.0020 175 CYS A CA 755 C C . CYS A 94 ? 0.1659 0.1928 0.2075 -0.0036 0.0017 0.0019 175 CYS A C 756 O O . CYS A 94 ? 0.1660 0.1936 0.2086 -0.0029 0.0022 0.0021 175 CYS A O 757 C CB . CYS A 94 ? 0.1770 0.2064 0.2194 -0.0043 -0.0001 0.0018 175 CYS A CB 758 S SG . CYS A 94 ? 0.1791 0.2097 0.2218 -0.0031 -0.0002 0.0021 175 CYS A SG 759 N N . ILE A 95 ? 0.1610 0.1858 0.2005 -0.0038 0.0019 0.0014 176 ILE A N 760 C CA . ILE A 95 ? 0.1594 0.1830 0.1980 -0.0033 0.0030 0.0013 176 ILE A CA 761 C C . ILE A 95 ? 0.1573 0.1810 0.1949 -0.0031 0.0026 0.0014 176 ILE A C 762 O O . ILE A 95 ? 0.1599 0.1829 0.1958 -0.0034 0.0016 0.0012 176 ILE A O 763 C CB . ILE A 95 ? 0.1638 0.1846 0.2000 -0.0035 0.0037 0.0007 176 ILE A CB 764 C CG1 . ILE A 95 ? 0.1654 0.1853 0.2017 -0.0038 0.0036 0.0006 176 ILE A CG1 765 C CG2 . ILE A 95 ? 0.1653 0.1852 0.2013 -0.0030 0.0053 0.0005 176 ILE A CG2 766 C CD1 . ILE A 95 ? 0.1699 0.1866 0.2035 -0.0038 0.0043 0.0000 176 ILE A CD1 767 N N . ALA A 96 ? 0.1516 0.1760 0.1902 -0.0027 0.0033 0.0016 177 ALA A N 768 C CA . ALA A 96 ? 0.1494 0.1735 0.1867 -0.0026 0.0029 0.0018 177 ALA A CA 769 C C . ALA A 96 ? 0.1464 0.1705 0.1844 -0.0025 0.0040 0.0019 177 ALA A C 770 O O . ALA A 96 ? 0.1474 0.1733 0.1881 -0.0022 0.0041 0.0021 177 ALA A O 771 C CB . ALA A 96 ? 0.1448 0.1708 0.1832 -0.0022 0.0016 0.0021 177 ALA A CB 772 N N . TRP A 97 ? 0.1458 0.1678 0.1814 -0.0028 0.0047 0.0018 178 TRP A N 773 C CA . TRP A 97 ? 0.1438 0.1657 0.1797 -0.0031 0.0055 0.0019 178 TRP A CA 774 C C . TRP A 97 ? 0.1465 0.1672 0.1800 -0.0029 0.0044 0.0023 178 TRP A C 775 O O . TRP A 97 ? 0.1444 0.1643 0.1775 -0.0033 0.0050 0.0024 178 TRP A O 776 C CB . TRP A 97 ? 0.1453 0.1658 0.1806 -0.0037 0.0077 0.0016 178 TRP A CB 777 C CG . TRP A 97 ? 0.1481 0.1653 0.1793 -0.0040 0.0085 0.0013 178 TRP A CG 778 C CD1 . TRP A 97 ? 0.1498 0.1661 0.1806 -0.0040 0.0098 0.0008 178 TRP A CD1 779 C CD2 . TRP A 97 ? 0.1522 0.1660 0.1786 -0.0042 0.0080 0.0014 178 TRP A CD2 780 N NE1 . TRP A 97 ? 0.1539 0.1663 0.1799 -0.0044 0.0102 0.0006 178 TRP A NE1 781 C CE2 . TRP A 97 ? 0.1564 0.1672 0.1795 -0.0045 0.0090 0.0009 178 TRP A CE2 782 C CE3 . TRP A 97 ? 0.1552 0.1677 0.1793 -0.0041 0.0066 0.0017 178 TRP A CE3 783 C CZ2 . TRP A 97 ? 0.1617 0.1681 0.1792 -0.0047 0.0086 0.0009 178 TRP A CZ2 784 C CZ3 . TRP A 97 ? 0.1613 0.1697 0.1801 -0.0042 0.0062 0.0017 178 TRP A CZ3 785 C CH2 . TRP A 97 ? 0.1641 0.1693 0.1795 -0.0045 0.0072 0.0013 178 TRP A CH2 786 N N . SER A 98 ? 0.1432 0.1637 0.1754 -0.0024 0.0028 0.0023 179 SER A N 787 C CA . SER A 98 ? 0.1449 0.1649 0.1756 -0.0017 0.0014 0.0026 179 SER A CA 788 C C . SER A 98 ? 0.1439 0.1660 0.1759 -0.0010 -0.0001 0.0025 179 SER A C 789 O O . SER A 98 ? 0.1406 0.1629 0.1728 -0.0013 -0.0003 0.0022 179 SER A O 790 C CB . SER A 98 ? 0.1494 0.1655 0.1752 -0.0019 0.0013 0.0025 179 SER A CB 791 O OG . SER A 98 ? 0.1519 0.1670 0.1759 -0.0010 -0.0003 0.0027 179 SER A OG 792 N N . SER A 99 ? 0.1427 0.1664 0.1759 -0.0002 -0.0011 0.0027 180 SER A N 793 C CA . SER A 99 ? 0.1417 0.1680 0.1770 0.0004 -0.0021 0.0026 180 SER A CA 794 C C . SER A 99 ? 0.1428 0.1700 0.1781 0.0016 -0.0033 0.0027 180 SER A C 795 O O . SER A 99 ? 0.1406 0.1662 0.1741 0.0021 -0.0033 0.0030 180 SER A O 796 C CB . SER A 99 ? 0.1395 0.1682 0.1779 0.0000 -0.0013 0.0028 180 SER A CB 797 O OG . SER A 99 ? 0.1402 0.1699 0.1798 0.0006 -0.0012 0.0031 180 SER A OG 798 N N . SER A 100 ? 0.1437 0.1735 0.1810 0.0021 -0.0042 0.0025 181 SER A N 799 C CA . SER A 100 ? 0.1466 0.1783 0.1852 0.0034 -0.0050 0.0025 181 SER A CA 800 C C . SER A 100 ? 0.1482 0.1836 0.1906 0.0031 -0.0048 0.0023 181 SER A C 801 O O . SER A 100 ? 0.1517 0.1877 0.1949 0.0020 -0.0049 0.0020 181 SER A O 802 C CB . SER A 100 ? 0.1523 0.1826 0.1886 0.0045 -0.0067 0.0022 181 SER A CB 803 O OG . SER A 100 ? 0.1539 0.1862 0.1916 0.0062 -0.0074 0.0021 181 SER A OG 804 N N . SER A 101 ? 0.1467 0.1842 0.1910 0.0038 -0.0043 0.0025 182 SER A N 805 C CA . SER A 101 ? 0.1471 0.1882 0.1950 0.0034 -0.0038 0.0023 182 SER A CA 806 C C . SER A 101 ? 0.1477 0.1914 0.1973 0.0050 -0.0040 0.0021 182 SER A C 807 O O . SER A 101 ? 0.1453 0.1875 0.1931 0.0064 -0.0041 0.0023 182 SER A O 808 C CB . SER A 101 ? 0.1460 0.1869 0.1944 0.0025 -0.0022 0.0027 182 SER A CB 809 O OG . SER A 101 ? 0.1469 0.1857 0.1941 0.0013 -0.0019 0.0029 182 SER A OG 810 N N . CYS A 102 ? 0.1511 0.1984 0.2043 0.0047 -0.0041 0.0017 183 CYS A N 811 C CA . CYS A 102 ? 0.1573 0.2078 0.2131 0.0062 -0.0039 0.0014 183 CYS A CA 812 C C . CYS A 102 ? 0.1556 0.2105 0.2160 0.0051 -0.0031 0.0010 183 CYS A C 813 O O . CYS A 102 ? 0.1525 0.2079 0.2140 0.0034 -0.0036 0.0008 183 CYS A O 814 C CB . CYS A 102 ? 0.1633 0.2137 0.2183 0.0081 -0.0059 0.0009 183 CYS A CB 815 S SG . CYS A 102 ? 0.1730 0.2230 0.2277 0.0076 -0.0085 0.0003 183 CYS A SG 816 N N . HIS A 103 ? 0.1555 0.2131 0.2182 0.0060 -0.0018 0.0009 184 HIS A N 817 C CA . HIS A 103 ? 0.1577 0.2197 0.2251 0.0048 -0.0006 0.0006 184 HIS A CA 818 C C . HIS A 103 ? 0.1633 0.2297 0.2347 0.0065 -0.0017 -0.0003 184 HIS A C 819 O O . HIS A 103 ? 0.1663 0.2325 0.2367 0.0089 -0.0020 -0.0004 184 HIS A O 820 C CB . HIS A 103 ? 0.1576 0.2194 0.2247 0.0046 0.0022 0.0011 184 HIS A CB 821 C CG . HIS A 103 ? 0.1559 0.2207 0.2265 0.0027 0.0040 0.0010 184 HIS A CG 822 N ND1 . HIS A 103 ? 0.1577 0.2277 0.2333 0.0030 0.0049 0.0004 184 HIS A ND1 823 C CD2 . HIS A 103 ? 0.1563 0.2197 0.2262 0.0003 0.0052 0.0014 184 HIS A CD2 824 C CE1 . HIS A 103 ? 0.1581 0.2297 0.2359 0.0006 0.0067 0.0004 184 HIS A CE1 825 N NE2 . HIS A 103 ? 0.1582 0.2255 0.2324 -0.0010 0.0069 0.0011 184 HIS A NE2 826 N N . ASP A 104 ? 0.1678 0.2382 0.2437 0.0053 -0.0026 -0.0009 185 ASP A N 827 C CA . ASP A 104 ? 0.1727 0.2477 0.2530 0.0070 -0.0042 -0.0019 185 ASP A CA 828 C C . ASP A 104 ? 0.1765 0.2572 0.2625 0.0071 -0.0020 -0.0024 185 ASP A C 829 O O . ASP A 104 ? 0.1854 0.2710 0.2764 0.0083 -0.0031 -0.0033 185 ASP A O 830 C CB . ASP A 104 ? 0.1712 0.2474 0.2533 0.0058 -0.0070 -0.0026 185 ASP A CB 831 C CG . ASP A 104 ? 0.1685 0.2471 0.2541 0.0027 -0.0060 -0.0027 185 ASP A CG 832 O OD1 . ASP A 104 ? 0.1641 0.2437 0.2509 0.0014 -0.0030 -0.0023 185 ASP A OD1 833 O OD2 . ASP A 104 ? 0.1726 0.2517 0.2593 0.0015 -0.0082 -0.0032 185 ASP A OD2 834 N N . GLY A 105 ? 0.1804 0.2602 0.2655 0.0060 0.0011 -0.0017 186 GLY A N 835 C CA . GLY A 105 ? 0.1853 0.2699 0.2752 0.0056 0.0039 -0.0020 186 GLY A CA 836 C C . GLY A 105 ? 0.1872 0.2734 0.2797 0.0021 0.0054 -0.0019 186 GLY A C 837 O O . GLY A 105 ? 0.1933 0.2810 0.2873 0.0011 0.0086 -0.0018 186 GLY A O 838 N N . LYS A 106 ? 0.1876 0.2727 0.2798 0.0003 0.0033 -0.0020 187 LYS A N 839 C CA . LYS A 106 ? 0.1905 0.2762 0.2845 -0.0032 0.0044 -0.0020 187 LYS A CA 840 C C . LYS A 106 ? 0.1824 0.2618 0.2704 -0.0047 0.0044 -0.0011 187 LYS A C 841 O O . LYS A 106 ? 0.1870 0.2648 0.2740 -0.0069 0.0065 -0.0006 187 LYS A O 842 C CB . LYS A 106 ? 0.1997 0.2896 0.2987 -0.0043 0.0019 -0.0030 187 LYS A CB 843 C CG . LYS A 106 ? 0.2094 0.3065 0.3156 -0.0029 0.0017 -0.0041 187 LYS A CG 844 C CD . LYS A 106 ? 0.2209 0.3226 0.3329 -0.0047 -0.0006 -0.0051 187 LYS A CD 845 C CE . LYS A 106 ? 0.2311 0.3402 0.3505 -0.0027 -0.0015 -0.0063 187 LYS A CE 846 N NZ . LYS A 106 ? 0.2411 0.3559 0.3676 -0.0051 -0.0029 -0.0074 187 LYS A NZ 847 N N . ALA A 107 ? 0.1693 0.2448 0.2531 -0.0035 0.0020 -0.0009 188 ALA A N 848 C CA . ALA A 107 ? 0.1613 0.2313 0.2400 -0.0047 0.0019 -0.0002 188 ALA A CA 849 C C . ALA A 107 ? 0.1579 0.2239 0.2320 -0.0027 0.0004 0.0001 188 ALA A C 850 O O . ALA A 107 ? 0.1524 0.2195 0.2269 -0.0006 -0.0011 -0.0002 188 ALA A O 851 C CB . ALA A 107 ? 0.1634 0.2333 0.2431 -0.0072 0.0006 -0.0005 188 ALA A CB 852 N N . TRP A 108 ? 0.1515 0.2128 0.2212 -0.0034 0.0008 0.0008 189 TRP A N 853 C CA . TRP A 108 ? 0.1493 0.2067 0.2148 -0.0020 -0.0003 0.0011 189 TRP A CA 854 C C . TRP A 108 ? 0.1472 0.2032 0.2116 -0.0024 -0.0026 0.0007 189 TRP A C 855 O O . TRP A 108 ? 0.1462 0.2019 0.2110 -0.0043 -0.0030 0.0005 189 TRP A O 856 C CB . TRP A 108 ? 0.1519 0.2052 0.2137 -0.0026 0.0010 0.0019 189 TRP A CB 857 C CG . TRP A 108 ? 0.1541 0.2070 0.2151 -0.0016 0.0027 0.0024 189 TRP A CG 858 C CD1 . TRP A 108 ? 0.1585 0.2116 0.2199 -0.0026 0.0048 0.0027 189 TRP A CD1 859 C CD2 . TRP A 108 ? 0.1560 0.2076 0.2150 0.0004 0.0025 0.0026 189 TRP A CD2 860 N NE1 . TRP A 108 ? 0.1596 0.2115 0.2192 -0.0011 0.0058 0.0031 189 TRP A NE1 861 C CE2 . TRP A 108 ? 0.1571 0.2082 0.2154 0.0007 0.0044 0.0030 189 TRP A CE2 862 C CE3 . TRP A 108 ? 0.1541 0.2046 0.2115 0.0019 0.0009 0.0025 189 TRP A CE3 863 C CZ2 . TRP A 108 ? 0.1575 0.2070 0.2135 0.0025 0.0046 0.0032 189 TRP A CZ2 864 C CZ3 . TRP A 108 ? 0.1561 0.2051 0.2114 0.0036 0.0012 0.0027 189 TRP A CZ3 865 C CH2 . TRP A 108 ? 0.1571 0.2057 0.2118 0.0039 0.0029 0.0031 189 TRP A CH2 866 N N . LEU A 109 ? 0.1420 0.1966 0.2043 -0.0007 -0.0041 0.0006 190 LEU A N 867 C CA . LEU A 109 ? 0.1438 0.1954 0.2031 -0.0007 -0.0059 0.0004 190 LEU A CA 868 C C . LEU A 109 ? 0.1439 0.1912 0.1990 -0.0004 -0.0050 0.0010 190 LEU A C 869 O O . LEU A 109 ? 0.1445 0.1914 0.1987 0.0009 -0.0043 0.0014 190 LEU A O 870 C CB . LEU A 109 ? 0.1452 0.1977 0.2046 0.0010 -0.0081 -0.0001 190 LEU A CB 871 C CG . LEU A 109 ? 0.1482 0.1967 0.2035 0.0012 -0.0099 -0.0003 190 LEU A CG 872 C CD1 . LEU A 109 ? 0.1518 0.2001 0.2075 -0.0005 -0.0110 -0.0008 190 LEU A CD1 873 C CD2 . LEU A 109 ? 0.1511 0.1994 0.2053 0.0034 -0.0119 -0.0007 190 LEU A CD2 874 N N . HIS A 110 ? 0.1469 0.1913 0.1996 -0.0014 -0.0052 0.0010 191 HIS A N 875 C CA . HIS A 110 ? 0.1477 0.1884 0.1969 -0.0011 -0.0045 0.0015 191 HIS A CA 876 C C . HIS A 110 ? 0.1497 0.1877 0.1960 -0.0012 -0.0058 0.0011 191 HIS A C 877 O O . HIS A 110 ? 0.1482 0.1859 0.1944 -0.0021 -0.0067 0.0007 191 HIS A O 878 C CB . HIS A 110 ? 0.1497 0.1892 0.1987 -0.0022 -0.0030 0.0018 191 HIS A CB 879 C CG . HIS A 110 ? 0.1520 0.1934 0.2031 -0.0024 -0.0017 0.0022 191 HIS A CG 880 N ND1 . HIS A 110 ? 0.1549 0.1964 0.2057 -0.0013 -0.0010 0.0026 191 HIS A ND1 881 C CD2 . HIS A 110 ? 0.1554 0.1983 0.2084 -0.0036 -0.0010 0.0021 191 HIS A CD2 882 C CE1 . HIS A 110 ? 0.1556 0.1983 0.2079 -0.0017 0.0002 0.0028 191 HIS A CE1 883 N NE2 . HIS A 110 ? 0.1551 0.1988 0.2088 -0.0032 0.0003 0.0026 191 HIS A NE2 884 N N . VAL A 111 ? 0.1473 0.1828 0.1907 -0.0002 -0.0060 0.0013 192 VAL A N 885 C CA . VAL A 111 ? 0.1514 0.1833 0.1909 -0.0002 -0.0067 0.0011 192 VAL A CA 886 C C . VAL A 111 ? 0.1529 0.1821 0.1904 -0.0007 -0.0049 0.0014 192 VAL A C 887 O O . VAL A 111 ? 0.1513 0.1804 0.1887 -0.0002 -0.0041 0.0018 192 VAL A O 888 C CB . VAL A 111 ? 0.1532 0.1839 0.1906 0.0013 -0.0081 0.0010 192 VAL A CB 889 C CG1 . VAL A 111 ? 0.1582 0.1845 0.1908 0.0012 -0.0089 0.0008 192 VAL A CG1 890 C CG2 . VAL A 111 ? 0.1527 0.1869 0.1930 0.0022 -0.0099 0.0006 192 VAL A CG2 891 N N . CYS A 112 ? 0.1573 0.1847 0.1935 -0.0017 -0.0044 0.0012 193 CYS A N 892 C CA . CYS A 112 ? 0.1611 0.1869 0.1966 -0.0022 -0.0026 0.0014 193 CYS A CA 893 C C . CYS A 112 ? 0.1606 0.1826 0.1922 -0.0025 -0.0022 0.0012 193 CYS A C 894 O O . CYS A 112 ? 0.1602 0.1806 0.1901 -0.0029 -0.0030 0.0007 193 CYS A O 895 C CB . CYS A 112 ? 0.1675 0.1945 0.2052 -0.0029 -0.0019 0.0014 193 CYS A CB 896 S SG . CYS A 112 ? 0.1817 0.2127 0.2233 -0.0028 -0.0020 0.0017 193 CYS A SG 897 N N . ILE A 113 ? 0.1567 0.1769 0.1866 -0.0023 -0.0010 0.0014 194 ILE A N 898 C CA . ILE A 113 ? 0.1596 0.1759 0.1854 -0.0026 -0.0002 0.0011 194 ILE A CA 899 C C . ILE A 113 ? 0.1582 0.1740 0.1847 -0.0031 0.0021 0.0011 194 ILE A C 900 O O . ILE A 113 ? 0.1573 0.1750 0.1864 -0.0030 0.0031 0.0014 194 ILE A O 901 C CB . ILE A 113 ? 0.1642 0.1782 0.1869 -0.0022 -0.0005 0.0013 194 ILE A CB 902 C CG1 . ILE A 113 ? 0.1665 0.1811 0.1888 -0.0013 -0.0030 0.0013 194 ILE A CG1 903 C CG2 . ILE A 113 ? 0.1702 0.1794 0.1878 -0.0027 0.0005 0.0011 194 ILE A CG2 904 C CD1 . ILE A 113 ? 0.1696 0.1818 0.1888 -0.0006 -0.0036 0.0015 194 ILE A CD1 905 N N . THR A 114 ? 0.1586 0.1719 0.1828 -0.0035 0.0029 0.0007 195 THR A N 906 C CA . THR A 114 ? 0.1581 0.1710 0.1830 -0.0037 0.0052 0.0005 195 THR A CA 907 C C . THR A 114 ? 0.1644 0.1730 0.1847 -0.0040 0.0063 0.0000 195 THR A C 908 O O . THR A 114 ? 0.1713 0.1770 0.1875 -0.0041 0.0050 -0.0001 195 THR A O 909 C CB . THR A 114 ? 0.1537 0.1691 0.1822 -0.0036 0.0052 0.0004 195 THR A CB 910 O OG1 . THR A 114 ? 0.1526 0.1680 0.1823 -0.0034 0.0073 0.0002 195 THR A OG1 911 C CG2 . THR A 114 ? 0.1566 0.1707 0.1835 -0.0039 0.0040 0.0001 195 THR A CG2 912 N N . GLY A 115 ? 0.1666 0.1748 0.1875 -0.0040 0.0087 -0.0003 196 GLY A N 913 C CA . GLY A 115 ? 0.1741 0.1780 0.1904 -0.0042 0.0103 -0.0007 196 GLY A CA 914 C C . GLY A 115 ? 0.1799 0.1817 0.1940 -0.0046 0.0125 -0.0007 196 GLY A C 915 O O . GLY A 115 ? 0.1729 0.1771 0.1897 -0.0048 0.0130 -0.0003 196 GLY A O 916 N N . ASP A 116 ? 0.1889 0.1860 0.1976 -0.0048 0.0139 -0.0011 197 ASP A N 917 C CA . ASP A 116 ? 0.2013 0.1957 0.2071 -0.0054 0.0166 -0.0011 197 ASP A CA 918 C C . ASP A 116 ? 0.2031 0.1960 0.2065 -0.0059 0.0156 -0.0006 197 ASP A C 919 O O . ASP A 116 ? 0.2004 0.1919 0.2013 -0.0055 0.0127 -0.0003 197 ASP A O 920 C CB . ASP A 116 ? 0.2129 0.2013 0.2121 -0.0054 0.0180 -0.0016 197 ASP A CB 921 C CG . ASP A 116 ? 0.2183 0.2072 0.2190 -0.0049 0.0198 -0.0023 197 ASP A CG 922 O OD1 . ASP A 116 ? 0.2224 0.2160 0.2293 -0.0045 0.0207 -0.0024 197 ASP A OD1 923 O OD2 . ASP A 116 ? 0.2277 0.2118 0.2230 -0.0047 0.0201 -0.0027 197 ASP A OD2 924 N N . ASP A 117 ? 0.2077 0.2010 0.2121 -0.0066 0.0179 -0.0004 198 ASP A N 925 C CA . ASP A 117 ? 0.2147 0.2059 0.2162 -0.0072 0.0172 0.0002 198 ASP A CA 926 C C . ASP A 117 ? 0.2248 0.2096 0.2182 -0.0071 0.0160 0.0002 198 ASP A C 927 O O . ASP A 117 ? 0.2277 0.2113 0.2190 -0.0067 0.0133 0.0006 198 ASP A O 928 C CB . ASP A 117 ? 0.2185 0.2095 0.2206 -0.0084 0.0206 0.0002 198 ASP A CB 929 C CG . ASP A 117 ? 0.2164 0.2135 0.2264 -0.0086 0.0210 0.0003 198 ASP A CG 930 O OD1 . ASP A 117 ? 0.2147 0.2160 0.2293 -0.0077 0.0189 0.0003 198 ASP A OD1 931 O OD2 . ASP A 117 ? 0.2203 0.2179 0.2316 -0.0099 0.0234 0.0003 198 ASP A OD2 932 N N . LYS A 118 ? 0.2376 0.2179 0.2260 -0.0072 0.0178 -0.0002 199 LYS A N 933 C CA . LYS A 118 ? 0.2514 0.2245 0.2311 -0.0071 0.0167 -0.0003 199 LYS A CA 934 C C . LYS A 118 ? 0.2443 0.2165 0.2222 -0.0062 0.0131 -0.0006 199 LYS A C 935 O O . LYS A 118 ? 0.2452 0.2116 0.2160 -0.0059 0.0116 -0.0007 199 LYS A O 936 C CB . LYS A 118 ? 0.2797 0.2475 0.2539 -0.0079 0.0204 -0.0006 199 LYS A CB 937 C CG . LYS A 118 ? 0.2996 0.2678 0.2749 -0.0092 0.0242 -0.0003 199 LYS A CG 938 C CD . LYS A 118 ? 0.3302 0.2923 0.2990 -0.0101 0.0280 -0.0007 199 LYS A CD 939 C CE . LYS A 118 ? 0.3488 0.3122 0.3199 -0.0117 0.0321 -0.0005 199 LYS A CE 940 N NZ . LYS A 118 ? 0.3750 0.3339 0.3416 -0.0125 0.0367 -0.0010 199 LYS A NZ 941 N N . ASN A 119 ? 0.2260 0.2036 0.2102 -0.0057 0.0117 -0.0007 200 ASN A N 942 C CA . ASN A 119 ? 0.2236 0.2007 0.2067 -0.0051 0.0086 -0.0011 200 ASN A CA 943 C C . ASN A 119 ? 0.2085 0.1924 0.1993 -0.0047 0.0069 -0.0010 200 ASN A C 944 O O . ASN A 119 ? 0.2022 0.1875 0.1951 -0.0047 0.0068 -0.0013 200 ASN A O 945 C CB . ASN A 119 ? 0.2314 0.2043 0.2103 -0.0052 0.0101 -0.0017 200 ASN A CB 946 C CG . ASN A 119 ? 0.2411 0.2099 0.2148 -0.0049 0.0069 -0.0021 200 ASN A CG 947 O OD1 . ASN A 119 ? 0.2418 0.2108 0.2151 -0.0045 0.0034 -0.0020 200 ASN A OD1 948 N ND2 . ASN A 119 ? 0.2523 0.2171 0.2221 -0.0050 0.0080 -0.0027 200 ASN A ND2 949 N N . ALA A 120 ? 0.1997 0.1872 0.1942 -0.0045 0.0057 -0.0005 201 ALA A N 950 C CA . ALA A 120 ? 0.1911 0.1848 0.1926 -0.0042 0.0045 -0.0003 201 ALA A CA 951 C C . ALA A 120 ? 0.1911 0.1857 0.1930 -0.0039 0.0012 -0.0006 201 ALA A C 952 O O . ALA A 120 ? 0.1937 0.1847 0.1910 -0.0037 -0.0008 -0.0008 201 ALA A O 953 C CB . ALA A 120 ? 0.1861 0.1829 0.1909 -0.0041 0.0044 0.0002 201 ALA A CB 954 N N . THR A 121 ? 0.1853 0.1848 0.1929 -0.0039 0.0006 -0.0005 202 THR A N 955 C CA . THR A 121 ? 0.1837 0.1852 0.1931 -0.0039 -0.0022 -0.0007 202 THR A CA 956 C C . THR A 121 ? 0.1766 0.1834 0.1914 -0.0035 -0.0031 -0.0003 202 THR A C 957 O O . THR A 121 ? 0.1706 0.1801 0.1890 -0.0035 -0.0015 0.0000 202 THR A O 958 C CB . THR A 121 ? 0.1849 0.1869 0.1957 -0.0045 -0.0019 -0.0011 202 THR A CB 959 O OG1 . THR A 121 ? 0.1924 0.1893 0.1980 -0.0048 -0.0009 -0.0015 202 THR A OG1 960 C CG2 . THR A 121 ? 0.1827 0.1869 0.1957 -0.0049 -0.0047 -0.0013 202 THR A CG2 961 N N . ALA A 122 ? 0.1743 0.1821 0.1894 -0.0030 -0.0057 -0.0004 203 ALA A N 962 C CA . ALA A 122 ? 0.1695 0.1824 0.1898 -0.0026 -0.0065 -0.0001 203 ALA A CA 963 C C . ALA A 122 ? 0.1697 0.1854 0.1932 -0.0032 -0.0079 -0.0005 203 ALA A C 964 O O . ALA A 122 ? 0.1724 0.1868 0.1942 -0.0034 -0.0100 -0.0010 203 ALA A O 965 C CB . ALA A 122 ? 0.1722 0.1849 0.1913 -0.0014 -0.0083 0.0000 203 ALA A CB 966 N N . SER A 123 ? 0.1640 0.1831 0.1918 -0.0036 -0.0068 -0.0002 204 SER A N 967 C CA . SER A 123 ? 0.1643 0.1864 0.1955 -0.0045 -0.0078 -0.0005 204 SER A CA 968 C C . SER A 123 ? 0.1616 0.1883 0.1971 -0.0039 -0.0086 -0.0003 204 SER A C 969 O O . SER A 123 ? 0.1593 0.1872 0.1959 -0.0030 -0.0076 0.0001 204 SER A O 970 C CB . SER A 123 ? 0.1611 0.1835 0.1938 -0.0053 -0.0059 -0.0003 204 SER A CB 971 O OG . SER A 123 ? 0.1618 0.1801 0.1908 -0.0058 -0.0051 -0.0006 204 SER A OG 972 N N . PHE A 124 ? 0.1634 0.1925 0.2013 -0.0044 -0.0104 -0.0008 205 PHE A N 973 C CA . PHE A 124 ? 0.1629 0.1967 0.2053 -0.0038 -0.0110 -0.0008 205 PHE A CA 974 C C . PHE A 124 ? 0.1628 0.1997 0.2091 -0.0054 -0.0102 -0.0008 205 PHE A C 975 O O . PHE A 124 ? 0.1606 0.1975 0.2075 -0.0067 -0.0114 -0.0013 205 PHE A O 976 C CB . PHE A 124 ? 0.1652 0.1999 0.2078 -0.0029 -0.0138 -0.0014 205 PHE A CB 977 C CG . PHE A 124 ? 0.1704 0.2013 0.2083 -0.0014 -0.0145 -0.0013 205 PHE A CG 978 C CD1 . PHE A 124 ? 0.1747 0.2004 0.2072 -0.0018 -0.0150 -0.0015 205 PHE A CD1 979 C CD2 . PHE A 124 ? 0.1701 0.2021 0.2085 0.0002 -0.0145 -0.0010 205 PHE A CD2 980 C CE1 . PHE A 124 ? 0.1802 0.2019 0.2079 -0.0006 -0.0153 -0.0013 205 PHE A CE1 981 C CE2 . PHE A 124 ? 0.1752 0.2031 0.2087 0.0014 -0.0151 -0.0009 205 PHE A CE2 982 C CZ . PHE A 124 ? 0.1791 0.2018 0.2073 0.0009 -0.0154 -0.0010 205 PHE A CZ 983 N N . ILE A 125 ? 0.1599 0.1988 0.2085 -0.0052 -0.0083 -0.0003 206 ILE A N 984 C CA . ILE A 125 ? 0.1593 0.2001 0.2106 -0.0067 -0.0071 -0.0001 206 ILE A CA 985 C C . ILE A 125 ? 0.1614 0.2070 0.2172 -0.0062 -0.0068 -0.0001 206 ILE A C 986 O O . ILE A 125 ? 0.1596 0.2060 0.2155 -0.0047 -0.0061 0.0002 206 ILE A O 987 C CB . ILE A 125 ? 0.1619 0.2003 0.2115 -0.0068 -0.0049 0.0005 206 ILE A CB 988 C CG1 . ILE A 125 ? 0.1682 0.2024 0.2140 -0.0072 -0.0049 0.0004 206 ILE A CG1 989 C CG2 . ILE A 125 ? 0.1607 0.2006 0.2125 -0.0080 -0.0036 0.0008 206 ILE A CG2 990 C CD1 . ILE A 125 ? 0.1716 0.2036 0.2157 -0.0066 -0.0032 0.0008 206 ILE A CD1 991 N N . TYR A 126 ? 0.1598 0.2085 0.2191 -0.0076 -0.0073 -0.0006 207 TYR A N 992 C CA . TYR A 126 ? 0.1615 0.2151 0.2255 -0.0073 -0.0069 -0.0007 207 TYR A CA 993 C C . TYR A 126 ? 0.1629 0.2184 0.2297 -0.0096 -0.0053 -0.0007 207 TYR A C 994 O O . TYR A 126 ? 0.1592 0.2138 0.2260 -0.0115 -0.0060 -0.0010 207 TYR A O 995 C CB . TYR A 126 ? 0.1613 0.2181 0.2281 -0.0067 -0.0095 -0.0016 207 TYR A CB 996 C CG . TYR A 126 ? 0.1623 0.2248 0.2347 -0.0061 -0.0091 -0.0019 207 TYR A CG 997 C CD1 . TYR A 126 ? 0.1607 0.2244 0.2334 -0.0038 -0.0085 -0.0017 207 TYR A CD1 998 C CD2 . TYR A 126 ? 0.1624 0.2291 0.2398 -0.0080 -0.0091 -0.0025 207 TYR A CD2 999 C CE1 . TYR A 126 ? 0.1614 0.2305 0.2393 -0.0031 -0.0078 -0.0021 207 TYR A CE1 1000 C CE2 . TYR A 126 ? 0.1593 0.2318 0.2424 -0.0076 -0.0083 -0.0029 207 TYR A CE2 1001 C CZ . TYR A 126 ? 0.1599 0.2335 0.2430 -0.0050 -0.0076 -0.0027 207 TYR A CZ 1002 O OH . TYR A 126 ? 0.1610 0.2404 0.2498 -0.0042 -0.0067 -0.0031 207 TYR A OH 1003 N N . ASP A 127 ? 0.1710 0.2285 0.2396 -0.0093 -0.0032 -0.0002 208 ASP A N 1004 C CA . ASP A 127 ? 0.1861 0.2449 0.2569 -0.0115 -0.0013 -0.0001 208 ASP A CA 1005 C C . ASP A 127 ? 0.1887 0.2429 0.2559 -0.0132 -0.0009 0.0002 208 ASP A C 1006 O O . ASP A 127 ? 0.1926 0.2470 0.2610 -0.0156 -0.0007 0.0000 208 ASP A O 1007 C CB . ASP A 127 ? 0.1977 0.2617 0.2740 -0.0128 -0.0021 -0.0009 208 ASP A CB 1008 C CG . ASP A 127 ? 0.2140 0.2800 0.2931 -0.0150 0.0004 -0.0007 208 ASP A CG 1009 O OD1 . ASP A 127 ? 0.2220 0.2862 0.2991 -0.0148 0.0028 0.0000 208 ASP A OD1 1010 O OD2 . ASP A 127 ? 0.2321 0.3011 0.3151 -0.0171 -0.0001 -0.0014 208 ASP A OD2 1011 N N . GLY A 128 ? 0.1877 0.2376 0.2505 -0.0121 -0.0007 0.0007 209 GLY A N 1012 C CA . GLY A 128 ? 0.1947 0.2400 0.2539 -0.0132 -0.0001 0.0010 209 GLY A CA 1013 C C . GLY A 128 ? 0.1951 0.2380 0.2524 -0.0142 -0.0018 0.0005 209 GLY A C 1014 O O . GLY A 128 ? 0.2021 0.2412 0.2566 -0.0152 -0.0013 0.0007 209 GLY A O 1015 N N . ARG A 129 ? 0.1907 0.2351 0.2490 -0.0137 -0.0039 -0.0001 210 ARG A N 1016 C CA . ARG A 129 ? 0.1935 0.2348 0.2492 -0.0145 -0.0055 -0.0006 210 ARG A CA 1017 C C . ARG A 129 ? 0.1859 0.2264 0.2398 -0.0128 -0.0073 -0.0009 210 ARG A C 1018 O O . ARG A 129 ? 0.1748 0.2180 0.2305 -0.0113 -0.0079 -0.0010 210 ARG A O 1019 C CB . ARG A 129 ? 0.2069 0.2501 0.2653 -0.0169 -0.0067 -0.0013 210 ARG A CB 1020 C CG . ARG A 129 ? 0.2165 0.2650 0.2798 -0.0167 -0.0084 -0.0019 210 ARG A CG 1021 C CD . ARG A 129 ? 0.2317 0.2838 0.2996 -0.0193 -0.0081 -0.0023 210 ARG A CD 1022 N NE . ARG A 129 ? 0.2442 0.2982 0.3141 -0.0196 -0.0052 -0.0016 210 ARG A NE 1023 C CZ . ARG A 129 ? 0.2560 0.3092 0.3261 -0.0220 -0.0034 -0.0013 210 ARG A CZ 1024 N NH1 . ARG A 129 ? 0.2628 0.3136 0.3317 -0.0245 -0.0042 -0.0017 210 ARG A NH1 1025 N NH2 . ARG A 129 ? 0.2636 0.3179 0.3347 -0.0220 -0.0007 -0.0007 210 ARG A NH2 1026 N N . LEU A 130 ? 0.1851 0.2210 0.2347 -0.0129 -0.0079 -0.0011 211 LEU A N 1027 C CA . LEU A 130 ? 0.1885 0.2225 0.2353 -0.0115 -0.0095 -0.0015 211 LEU A CA 1028 C C . LEU A 130 ? 0.1865 0.2222 0.2349 -0.0121 -0.0122 -0.0022 211 LEU A C 1029 O O . LEU A 130 ? 0.1901 0.2250 0.2385 -0.0139 -0.0132 -0.0027 211 LEU A O 1030 C CB . LEU A 130 ? 0.1957 0.2242 0.2374 -0.0115 -0.0090 -0.0015 211 LEU A CB 1031 C CG . LEU A 130 ? 0.2062 0.2321 0.2442 -0.0099 -0.0098 -0.0016 211 LEU A CG 1032 C CD1 . LEU A 130 ? 0.2108 0.2335 0.2458 -0.0091 -0.0076 -0.0012 211 LEU A CD1 1033 C CD2 . LEU A 130 ? 0.2137 0.2367 0.2487 -0.0105 -0.0121 -0.0024 211 LEU A CD2 1034 N N . VAL A 131 ? 0.1851 0.2230 0.2346 -0.0105 -0.0135 -0.0024 212 VAL A N 1035 C CA . VAL A 131 ? 0.1840 0.2241 0.2356 -0.0106 -0.0165 -0.0033 212 VAL A CA 1036 C C . VAL A 131 ? 0.1867 0.2225 0.2333 -0.0094 -0.0187 -0.0036 212 VAL A C 1037 O O . VAL A 131 ? 0.1934 0.2288 0.2397 -0.0099 -0.0215 -0.0044 212 VAL A O 1038 C CB . VAL A 131 ? 0.1818 0.2278 0.2390 -0.0096 -0.0167 -0.0033 212 VAL A CB 1039 C CG1 . VAL A 131 ? 0.1846 0.2334 0.2446 -0.0095 -0.0201 -0.0043 212 VAL A CG1 1040 C CG2 . VAL A 131 ? 0.1797 0.2295 0.2413 -0.0109 -0.0143 -0.0030 212 VAL A CG2 1041 N N . ASP A 132 ? 0.1814 0.2139 0.2239 -0.0079 -0.0175 -0.0031 213 ASP A N 1042 C CA . ASP A 132 ? 0.1824 0.2105 0.2196 -0.0067 -0.0192 -0.0034 213 ASP A CA 1043 C C . ASP A 132 ? 0.1785 0.2022 0.2109 -0.0060 -0.0168 -0.0027 213 ASP A C 1044 O O . ASP A 132 ? 0.1711 0.1959 0.2050 -0.0061 -0.0142 -0.0021 213 ASP A O 1045 C CB . ASP A 132 ? 0.1861 0.2165 0.2248 -0.0049 -0.0214 -0.0036 213 ASP A CB 1046 C CG . ASP A 132 ? 0.1960 0.2228 0.2305 -0.0043 -0.0247 -0.0043 213 ASP A CG 1047 O OD1 . ASP A 132 ? 0.2020 0.2232 0.2309 -0.0050 -0.0248 -0.0045 213 ASP A OD1 1048 O OD2 . ASP A 132 ? 0.1961 0.2252 0.2325 -0.0030 -0.0272 -0.0048 213 ASP A OD2 1049 N N . SER A 133 ? 0.1784 0.1970 0.2050 -0.0054 -0.0178 -0.0029 214 SER A N 1050 C CA . SER A 133 ? 0.1809 0.1954 0.2029 -0.0047 -0.0155 -0.0024 214 SER A CA 1051 C C . SER A 133 ? 0.1886 0.1983 0.2048 -0.0036 -0.0171 -0.0027 214 SER A C 1052 O O . SER A 133 ? 0.1902 0.1982 0.2044 -0.0037 -0.0201 -0.0033 214 SER A O 1053 C CB . SER A 133 ? 0.1814 0.1929 0.2013 -0.0058 -0.0133 -0.0024 214 SER A CB 1054 O OG . SER A 133 ? 0.1866 0.1941 0.2025 -0.0065 -0.0149 -0.0030 214 SER A OG 1055 N N . ILE A 134 ? 0.1912 0.1983 0.2043 -0.0028 -0.0154 -0.0022 215 ILE A N 1056 C CA . ILE A 134 ? 0.2015 0.2029 0.2079 -0.0020 -0.0163 -0.0023 215 ILE A CA 1057 C C . ILE A 134 ? 0.2041 0.2016 0.2066 -0.0023 -0.0129 -0.0018 215 ILE A C 1058 O O . ILE A 134 ? 0.1968 0.1970 0.2025 -0.0025 -0.0103 -0.0013 215 ILE A O 1059 C CB . ILE A 134 ? 0.2059 0.2084 0.2126 -0.0004 -0.0182 -0.0022 215 ILE A CB 1060 C CG1 . ILE A 134 ? 0.2207 0.2166 0.2198 0.0005 -0.0201 -0.0024 215 ILE A CG1 1061 C CG2 . ILE A 134 ? 0.2023 0.2069 0.2112 0.0001 -0.0158 -0.0014 215 ILE A CG2 1062 C CD1 . ILE A 134 ? 0.2263 0.2228 0.2254 0.0023 -0.0230 -0.0026 215 ILE A CD1 1063 N N . GLY A 135 ? 0.2092 0.2003 0.2047 -0.0023 -0.0130 -0.0021 216 GLY A N 1064 C CA . GLY A 135 ? 0.2143 0.2013 0.2056 -0.0026 -0.0096 -0.0018 216 GLY A CA 1065 C C . GLY A 135 ? 0.2197 0.2039 0.2074 -0.0019 -0.0093 -0.0013 216 GLY A C 1066 O O . GLY A 135 ? 0.2271 0.2110 0.2138 -0.0009 -0.0121 -0.0014 216 GLY A O 1067 N N . SER A 136 ? 0.2239 0.2060 0.2097 -0.0024 -0.0059 -0.0010 217 SER A N 1068 C CA . SER A 136 ? 0.2271 0.2056 0.2087 -0.0021 -0.0048 -0.0005 217 SER A CA 1069 C C . SER A 136 ? 0.2410 0.2127 0.2145 -0.0015 -0.0071 -0.0007 217 SER A C 1070 O O . SER A 136 ? 0.2465 0.2137 0.2151 -0.0018 -0.0074 -0.0012 217 SER A O 1071 C CB . SER A 136 ? 0.2284 0.2053 0.2089 -0.0032 -0.0005 -0.0003 217 SER A CB 1072 O OG . SER A 136 ? 0.2283 0.2020 0.2053 -0.0034 0.0010 0.0002 217 SER A OG 1073 N N . TRP A 137 ? 0.2434 0.2139 0.2150 -0.0005 -0.0089 -0.0004 218 TRP A N 1074 C CA . TRP A 137 ? 0.2566 0.2199 0.2199 0.0003 -0.0113 -0.0006 218 TRP A CA 1075 C C . TRP A 137 ? 0.2678 0.2240 0.2234 -0.0002 -0.0087 -0.0002 218 TRP A C 1076 O O . TRP A 137 ? 0.2824 0.2311 0.2296 0.0002 -0.0100 -0.0003 218 TRP A O 1077 C CB . TRP A 137 ? 0.2533 0.2185 0.2181 0.0021 -0.0156 -0.0008 218 TRP A CB 1078 C CG . TRP A 137 ? 0.2470 0.2166 0.2166 0.0027 -0.0151 -0.0002 218 TRP A CG 1079 C CD1 . TRP A 137 ? 0.2480 0.2141 0.2139 0.0030 -0.0140 0.0003 218 TRP A CD1 1080 C CD2 . TRP A 137 ? 0.2351 0.2130 0.2136 0.0032 -0.0158 -0.0003 218 TRP A CD2 1081 N NE1 . TRP A 137 ? 0.2423 0.2139 0.2141 0.0036 -0.0141 0.0006 218 TRP A NE1 1082 C CE2 . TRP A 137 ? 0.2353 0.2141 0.2148 0.0038 -0.0151 0.0003 218 TRP A CE2 1083 C CE3 . TRP A 137 ? 0.2314 0.2155 0.2167 0.0030 -0.0168 -0.0007 218 TRP A CE3 1084 C CZ2 . TRP A 137 ? 0.2276 0.2133 0.2145 0.0044 -0.0154 0.0004 218 TRP A CZ2 1085 C CZ3 . TRP A 137 ? 0.2249 0.2158 0.2176 0.0034 -0.0169 -0.0005 218 TRP A CZ3 1086 C CH2 . TRP A 137 ? 0.2227 0.2143 0.2161 0.0042 -0.0162 0.0000 218 TRP A CH2 1087 N N . SER A 138 ? 0.2648 0.2231 0.2232 -0.0012 -0.0051 0.0004 219 SER A N 1088 C CA . SER A 138 ? 0.2739 0.2261 0.2260 -0.0022 -0.0021 0.0008 219 SER A CA 1089 C C . SER A 138 ? 0.2673 0.2206 0.2214 -0.0039 0.0027 0.0009 219 SER A C 1090 O O . SER A 138 ? 0.2678 0.2170 0.2178 -0.0051 0.0058 0.0012 219 SER A O 1091 C CB . SER A 138 ? 0.2784 0.2310 0.2311 -0.0018 -0.0024 0.0014 219 SER A CB 1092 O OG . SER A 138 ? 0.2908 0.2412 0.2403 0.0000 -0.0067 0.0013 219 SER A OG 1093 N N . GLN A 139 ? 0.2610 0.2197 0.2213 -0.0041 0.0034 0.0005 220 GLN A N 1094 C CA . GLN A 139 ? 0.2578 0.2175 0.2200 -0.0054 0.0076 0.0004 220 GLN A CA 1095 C C . GLN A 139 ? 0.2522 0.2147 0.2182 -0.0064 0.0108 0.0008 220 GLN A C 1096 O O . GLN A 139 ? 0.2517 0.2121 0.2161 -0.0076 0.0146 0.0008 220 GLN A O 1097 C CB . GLN A 139 ? 0.2726 0.2246 0.2262 -0.0058 0.0094 0.0000 220 GLN A CB 1098 C CG . GLN A 139 ? 0.2808 0.2300 0.2308 -0.0049 0.0064 -0.0005 220 GLN A CG 1099 C CD . GLN A 139 ? 0.2922 0.2376 0.2373 -0.0038 0.0019 -0.0005 220 GLN A CD 1100 O OE1 . GLN A 139 ? 0.3047 0.2445 0.2434 -0.0038 0.0019 -0.0001 220 GLN A OE1 1101 N NE2 . GLN A 139 ? 0.2985 0.2471 0.2467 -0.0029 -0.0020 -0.0009 220 GLN A NE2 1102 N N . ASN A 140 ? 0.2425 0.2096 0.2136 -0.0060 0.0092 0.0012 221 ASN A N 1103 C CA . ASN A 140 ? 0.2390 0.2085 0.2135 -0.0071 0.0116 0.0016 221 ASN A CA 1104 C C . ASN A 140 ? 0.2240 0.2004 0.2061 -0.0065 0.0097 0.0018 221 ASN A C 1105 O O . ASN A 140 ? 0.2231 0.1992 0.2047 -0.0061 0.0081 0.0022 221 ASN A O 1106 C CB . ASN A 140 ? 0.2490 0.2119 0.2163 -0.0078 0.0123 0.0020 221 ASN A CB 1107 C CG . ASN A 140 ? 0.2538 0.2182 0.2238 -0.0095 0.0154 0.0024 221 ASN A CG 1108 O OD1 . ASN A 140 ? 0.2497 0.2204 0.2274 -0.0100 0.0168 0.0022 221 ASN A OD1 1109 N ND2 . ASN A 140 ? 0.2617 0.2202 0.2254 -0.0104 0.0162 0.0028 221 ASN A ND2 1110 N N . ILE A 141 ? 0.2148 0.1968 0.2034 -0.0063 0.0099 0.0015 222 ILE A N 1111 C CA . ILE A 141 ? 0.2025 0.1909 0.1984 -0.0058 0.0087 0.0017 222 ILE A CA 1112 C C . ILE A 141 ? 0.1991 0.1886 0.1952 -0.0044 0.0051 0.0018 222 ILE A C 1113 O O . ILE A 141 ? 0.1945 0.1845 0.1911 -0.0040 0.0040 0.0022 222 ILE A O 1114 C CB . ILE A 141 ? 0.2009 0.1914 0.2000 -0.0068 0.0107 0.0020 222 ILE A CB 1115 C CG1 . ILE A 141 ? 0.2053 0.1949 0.2045 -0.0082 0.0145 0.0018 222 ILE A CG1 1116 C CG2 . ILE A 141 ? 0.1931 0.1900 0.1996 -0.0063 0.0096 0.0021 222 ILE A CG2 1117 C CD1 . ILE A 141 ? 0.2059 0.1964 0.2072 -0.0096 0.0165 0.0020 222 ILE A CD1 1118 N N . LEU A 142 ? 0.1981 0.1878 0.1938 -0.0036 0.0031 0.0015 223 LEU A N 1119 C CA . LEU A 142 ? 0.1948 0.1872 0.1927 -0.0023 -0.0002 0.0014 223 LEU A CA 1120 C C . LEU A 142 ? 0.1855 0.1837 0.1900 -0.0022 0.0001 0.0017 223 LEU A C 1121 O O . LEU A 142 ? 0.1856 0.1869 0.1942 -0.0028 0.0018 0.0017 223 LEU A O 1122 C CB . LEU A 142 ? 0.1965 0.1898 0.1950 -0.0021 -0.0017 0.0009 223 LEU A CB 1123 C CG . LEU A 142 ? 0.1963 0.1927 0.1974 -0.0010 -0.0050 0.0007 223 LEU A CG 1124 C CD1 . LEU A 142 ? 0.2053 0.1981 0.2018 0.0002 -0.0074 0.0007 223 LEU A CD1 1125 C CD2 . LEU A 142 ? 0.1958 0.1932 0.1981 -0.0012 -0.0061 0.0002 223 LEU A CD2 1126 N N . ARG A 143 ? 0.1844 0.1836 0.1895 -0.0012 -0.0017 0.0020 224 ARG A N 1127 C CA . ARG A 143 ? 0.1803 0.1837 0.1903 -0.0011 -0.0013 0.0023 224 ARG A CA 1128 C C . ARG A 143 ? 0.1775 0.1826 0.1886 0.0005 -0.0038 0.0023 224 ARG A C 1129 O O . ARG A 143 ? 0.1817 0.1842 0.1892 0.0015 -0.0057 0.0022 224 ARG A O 1130 C CB . ARG A 143 ? 0.1799 0.1815 0.1889 -0.0021 0.0007 0.0026 224 ARG A CB 1131 C CG . ARG A 143 ? 0.1881 0.1842 0.1908 -0.0020 0.0005 0.0029 224 ARG A CG 1132 C CD . ARG A 143 ? 0.1901 0.1843 0.1919 -0.0037 0.0031 0.0031 224 ARG A CD 1133 N NE . ARG A 143 ? 0.1974 0.1858 0.1929 -0.0040 0.0031 0.0034 224 ARG A NE 1134 C CZ . ARG A 143 ? 0.2047 0.1874 0.1939 -0.0046 0.0040 0.0034 224 ARG A CZ 1135 N NH1 . ARG A 143 ? 0.2114 0.1885 0.1946 -0.0049 0.0040 0.0037 224 ARG A NH1 1136 N NH2 . ARG A 143 ? 0.2070 0.1892 0.1954 -0.0049 0.0049 0.0030 224 ARG A NH2 1137 N N . THR A 144 ? 0.1734 0.1828 0.1892 0.0008 -0.0037 0.0025 225 THR A N 1138 C CA . THR A 144 ? 0.1736 0.1852 0.1911 0.0024 -0.0057 0.0025 225 THR A CA 1139 C C . THR A 144 ? 0.1717 0.1848 0.1911 0.0027 -0.0051 0.0029 225 THR A C 1140 O O . THR A 144 ? 0.1730 0.1843 0.1912 0.0018 -0.0038 0.0032 225 THR A O 1141 C CB . THR A 144 ? 0.1704 0.1861 0.1918 0.0027 -0.0067 0.0021 225 THR A CB 1142 O OG1 . THR A 144 ? 0.1749 0.1926 0.1976 0.0043 -0.0086 0.0019 225 THR A OG1 1143 C CG2 . THR A 144 ? 0.1656 0.1849 0.1915 0.0018 -0.0052 0.0022 225 THR A CG2 1144 N N . GLN A 145 ? 0.1677 0.1840 0.1899 0.0040 -0.0062 0.0028 226 GLN A N 1145 C CA . GLN A 145 ? 0.1698 0.1861 0.1920 0.0049 -0.0063 0.0031 226 GLN A CA 1146 C C . GLN A 145 ? 0.1686 0.1860 0.1930 0.0039 -0.0048 0.0034 226 GLN A C 1147 O O . GLN A 145 ? 0.1695 0.1849 0.1921 0.0040 -0.0046 0.0037 226 GLN A O 1148 C CB . GLN A 145 ? 0.1676 0.1871 0.1923 0.0067 -0.0077 0.0028 226 GLN A CB 1149 C CG . GLN A 145 ? 0.1726 0.1906 0.1949 0.0082 -0.0097 0.0024 226 GLN A CG 1150 C CD . GLN A 145 ? 0.1739 0.1959 0.1996 0.0100 -0.0110 0.0020 226 GLN A CD 1151 O OE1 . GLN A 145 ? 0.1791 0.2014 0.2046 0.0111 -0.0129 0.0015 226 GLN A OE1 1152 N NE2 . GLN A 145 ? 0.1698 0.1948 0.1987 0.0103 -0.0100 0.0022 226 GLN A NE2 1153 N N . GLU A 146 ? 0.1654 0.1857 0.1934 0.0030 -0.0038 0.0034 227 GLU A N 1154 C CA . GLU A 146 ? 0.1668 0.1887 0.1973 0.0025 -0.0028 0.0036 227 GLU A CA 1155 C C . GLU A 146 ? 0.1624 0.1856 0.1938 0.0038 -0.0034 0.0038 227 GLU A C 1156 O O . GLU A 146 ? 0.1598 0.1828 0.1915 0.0037 -0.0031 0.0040 227 GLU A O 1157 C CB . GLU A 146 ? 0.1738 0.1935 0.2031 0.0013 -0.0019 0.0038 227 GLU A CB 1158 C CG . GLU A 146 ? 0.1850 0.2021 0.2119 0.0002 -0.0011 0.0037 227 GLU A CG 1159 C CD . GLU A 146 ? 0.1922 0.2108 0.2208 -0.0004 -0.0003 0.0034 227 GLU A CD 1160 O OE1 . GLU A 146 ? 0.1850 0.2065 0.2166 -0.0001 -0.0004 0.0033 227 GLU A OE1 1161 O OE2 . GLU A 146 ? 0.2076 0.2238 0.2340 -0.0013 0.0007 0.0033 227 GLU A OE2 1162 N N . SER A 147 ? 0.1597 0.1843 0.1914 0.0052 -0.0044 0.0036 228 SER A N 1163 C CA . SER A 147 ? 0.1587 0.1852 0.1918 0.0065 -0.0046 0.0036 228 SER A CA 1164 C C . SER A 147 ? 0.1570 0.1865 0.1924 0.0074 -0.0052 0.0032 228 SER A C 1165 O O . SER A 147 ? 0.1580 0.1879 0.1937 0.0068 -0.0057 0.0029 228 SER A O 1166 C CB . SER A 147 ? 0.1638 0.1875 0.1938 0.0077 -0.0052 0.0037 228 SER A CB 1167 O OG . SER A 147 ? 0.1653 0.1867 0.1924 0.0086 -0.0064 0.0035 228 SER A OG 1168 N N . GLU A 148 ? 0.1586 0.1903 0.1957 0.0087 -0.0051 0.0031 229 GLU A N 1169 C CA . GLU A 148 ? 0.1572 0.1927 0.1976 0.0091 -0.0053 0.0027 229 GLU A CA 1170 C C . GLU A 148 ? 0.1626 0.1982 0.2025 0.0102 -0.0071 0.0022 229 GLU A C 1171 O O . GLU A 148 ? 0.1685 0.2014 0.2052 0.0116 -0.0082 0.0021 229 GLU A O 1172 C CB . GLU A 148 ? 0.1575 0.1955 0.2000 0.0102 -0.0044 0.0026 229 GLU A CB 1173 C CG . GLU A 148 ? 0.1587 0.1962 0.1999 0.0126 -0.0051 0.0024 229 GLU A CG 1174 C CD . GLU A 148 ? 0.1585 0.1990 0.2022 0.0137 -0.0038 0.0023 229 GLU A CD 1175 O OE1 . GLU A 148 ? 0.1588 0.1989 0.2014 0.0158 -0.0042 0.0020 229 GLU A OE1 1176 O OE2 . GLU A 148 ? 0.1595 0.2023 0.2058 0.0125 -0.0024 0.0024 229 GLU A OE2 1177 N N . CYS A 149 ? 0.1616 0.1999 0.2042 0.0096 -0.0077 0.0017 230 CYS A N 1178 C CA . CYS A 149 ? 0.1668 0.2060 0.2098 0.0108 -0.0097 0.0011 230 CYS A CA 1179 C C . CYS A 149 ? 0.1594 0.2028 0.2061 0.0126 -0.0097 0.0007 230 CYS A C 1180 O O . CYS A 149 ? 0.1530 0.1978 0.2010 0.0127 -0.0080 0.0010 230 CYS A O 1181 C CB . CYS A 149 ? 0.1721 0.2122 0.2163 0.0093 -0.0105 0.0008 230 CYS A CB 1182 S SG . CYS A 149 ? 0.1786 0.2217 0.2265 0.0070 -0.0087 0.0009 230 CYS A SG 1183 N N . VAL A 150 ? 0.1619 0.2071 0.2100 0.0141 -0.0117 0.0000 231 VAL A N 1184 C CA . VAL A 150 ? 0.1625 0.2118 0.2143 0.0161 -0.0118 -0.0005 231 VAL A CA 1185 C C . VAL A 150 ? 0.1646 0.2186 0.2213 0.0161 -0.0133 -0.0014 231 VAL A C 1186 O O . VAL A 150 ? 0.1608 0.2132 0.2160 0.0160 -0.0157 -0.0017 231 VAL A O 1187 C CB . VAL A 150 ? 0.1680 0.2143 0.2162 0.0189 -0.0130 -0.0006 231 VAL A CB 1188 C CG1 . VAL A 150 ? 0.1698 0.2206 0.2221 0.0213 -0.0130 -0.0013 231 VAL A CG1 1189 C CG2 . VAL A 150 ? 0.1686 0.2100 0.2119 0.0186 -0.0117 0.0002 231 VAL A CG2 1190 N N . CYS A 151 ? 0.1670 0.2266 0.2295 0.0160 -0.0120 -0.0018 232 CYS A N 1191 C CA . CYS A 151 ? 0.1740 0.2389 0.2422 0.0157 -0.0132 -0.0027 232 CYS A CA 1192 C C . CYS A 151 ? 0.1763 0.2461 0.2491 0.0182 -0.0133 -0.0035 232 CYS A C 1193 O O . CYS A 151 ? 0.1705 0.2413 0.2439 0.0191 -0.0110 -0.0032 232 CYS A O 1194 C CB . CYS A 151 ? 0.1776 0.2455 0.2495 0.0127 -0.0112 -0.0025 232 CYS A CB 1195 S SG . CYS A 151 ? 0.1863 0.2488 0.2532 0.0099 -0.0102 -0.0015 232 CYS A SG 1196 N N . ILE A 152 ? 0.1808 0.2534 0.2565 0.0196 -0.0162 -0.0044 233 ILE A N 1197 C CA . ILE A 152 ? 0.1867 0.2651 0.2682 0.0221 -0.0165 -0.0054 233 ILE A CA 1198 C C . ILE A 152 ? 0.1917 0.2762 0.2802 0.0209 -0.0182 -0.0065 233 ILE A C 1199 O O . ILE A 152 ? 0.1915 0.2744 0.2787 0.0204 -0.0213 -0.0068 233 ILE A O 1200 C CB . ILE A 152 ? 0.1919 0.2675 0.2700 0.0258 -0.0191 -0.0058 233 ILE A CB 1201 C CG1 . ILE A 152 ? 0.1948 0.2646 0.2664 0.0269 -0.0174 -0.0049 233 ILE A CG1 1202 C CG2 . ILE A 152 ? 0.1927 0.2749 0.2776 0.0286 -0.0199 -0.0071 233 ILE A CG2 1203 C CD1 . ILE A 152 ? 0.1999 0.2656 0.2669 0.0304 -0.0198 -0.0052 233 ILE A CD1 1204 N N . ASN A 153 ? 0.1991 0.2904 0.2949 0.0203 -0.0160 -0.0070 234 ASN A N 1205 C CA . ASN A 153 ? 0.2120 0.3100 0.3155 0.0189 -0.0171 -0.0080 234 ASN A CA 1206 C C . ASN A 153 ? 0.2082 0.3041 0.3103 0.0155 -0.0184 -0.0078 234 ASN A C 1207 O O . ASN A 153 ? 0.2123 0.3107 0.3176 0.0150 -0.0215 -0.0087 234 ASN A O 1208 C CB . ASN A 153 ? 0.2328 0.3344 0.3401 0.0222 -0.0207 -0.0093 234 ASN A CB 1209 C CG . ASN A 153 ? 0.2536 0.3642 0.3710 0.0212 -0.0212 -0.0106 234 ASN A CG 1210 O OD1 . ASN A 153 ? 0.2616 0.3765 0.3838 0.0187 -0.0179 -0.0105 234 ASN A OD1 1211 N ND2 . ASN A 153 ? 0.2744 0.3877 0.3950 0.0232 -0.0254 -0.0119 234 ASN A ND2 1212 N N . GLY A 154 ? 0.2001 0.2914 0.2974 0.0132 -0.0162 -0.0066 235 GLY A N 1213 C CA . GLY A 154 ? 0.2004 0.2893 0.2960 0.0099 -0.0168 -0.0063 235 GLY A CA 1214 C C . GLY A 154 ? 0.1988 0.2811 0.2875 0.0102 -0.0196 -0.0061 235 GLY A C 1215 O O . GLY A 154 ? 0.2025 0.2823 0.2891 0.0078 -0.0201 -0.0058 235 GLY A O 1216 N N . THR A 155 ? 0.1971 0.2763 0.2818 0.0132 -0.0214 -0.0061 236 THR A N 1217 C CA . THR A 155 ? 0.1977 0.2698 0.2749 0.0135 -0.0235 -0.0057 236 THR A CA 1218 C C . THR A 155 ? 0.1890 0.2557 0.2601 0.0139 -0.0212 -0.0046 236 THR A C 1219 O O . THR A 155 ? 0.1834 0.2501 0.2540 0.0162 -0.0205 -0.0044 236 THR A O 1220 C CB . THR A 155 ? 0.2077 0.2790 0.2838 0.0163 -0.0275 -0.0066 236 THR A CB 1221 O OG1 . THR A 155 ? 0.2096 0.2865 0.2922 0.0160 -0.0300 -0.0078 236 THR A OG1 1222 C CG2 . THR A 155 ? 0.2117 0.2750 0.2794 0.0163 -0.0294 -0.0061 236 THR A CG2 1223 N N . CYS A 156 ? 0.1888 0.2509 0.2554 0.0118 -0.0202 -0.0038 237 CYS A N 1224 C CA . CYS A 156 ? 0.1868 0.2439 0.2480 0.0119 -0.0182 -0.0028 237 CYS A CA 1225 C C . CYS A 156 ? 0.1871 0.2379 0.2415 0.0126 -0.0202 -0.0027 237 CYS A C 1226 O O . CYS A 156 ? 0.1896 0.2387 0.2424 0.0119 -0.0222 -0.0030 237 CYS A O 1227 C CB . CYS A 156 ? 0.1914 0.2478 0.2523 0.0092 -0.0156 -0.0021 237 CYS A CB 1228 S SG . CYS A 156 ? 0.1942 0.2568 0.2620 0.0078 -0.0129 -0.0022 237 CYS A SG 1229 N N . THR A 157 ? 0.1816 0.2284 0.2315 0.0140 -0.0196 -0.0021 238 THR A N 1230 C CA . THR A 157 ? 0.1858 0.2262 0.2288 0.0145 -0.0210 -0.0019 238 THR A CA 1231 C C . THR A 157 ? 0.1809 0.2172 0.2200 0.0131 -0.0184 -0.0009 238 THR A C 1232 O O . THR A 157 ? 0.1773 0.2152 0.2181 0.0129 -0.0162 -0.0005 238 THR A O 1233 C CB . THR A 157 ? 0.1899 0.2285 0.2305 0.0176 -0.0232 -0.0022 238 THR A CB 1234 O OG1 . THR A 157 ? 0.1971 0.2289 0.2306 0.0178 -0.0247 -0.0020 238 THR A OG1 1235 C CG2 . THR A 157 ? 0.1876 0.2261 0.2279 0.0190 -0.0214 -0.0018 238 THR A CG2 1236 N N . VAL A 158 ? 0.1843 0.2155 0.2182 0.0121 -0.0187 -0.0007 239 VAL A N 1237 C CA . VAL A 158 ? 0.1882 0.2154 0.2184 0.0107 -0.0165 0.0001 239 VAL A CA 1238 C C . VAL A 158 ? 0.1922 0.2129 0.2155 0.0109 -0.0175 0.0002 239 VAL A C 1239 O O . VAL A 158 ? 0.1983 0.2171 0.2194 0.0111 -0.0195 -0.0002 239 VAL A O 1240 C CB . VAL A 158 ? 0.1872 0.2160 0.2197 0.0083 -0.0146 0.0003 239 VAL A CB 1241 C CG1 . VAL A 158 ? 0.1921 0.2194 0.2231 0.0073 -0.0158 -0.0001 239 VAL A CG1 1242 C CG2 . VAL A 158 ? 0.1897 0.2157 0.2198 0.0072 -0.0122 0.0010 239 VAL A CG2 1243 N N . VAL A 159 ? 0.1910 0.2080 0.2106 0.0107 -0.0160 0.0009 240 VAL A N 1244 C CA . VAL A 159 ? 0.1955 0.2058 0.2081 0.0106 -0.0164 0.0011 240 VAL A CA 1245 C C . VAL A 159 ? 0.1988 0.2071 0.2100 0.0081 -0.0141 0.0014 240 VAL A C 1246 O O . VAL A 159 ? 0.1887 0.1992 0.2028 0.0070 -0.0119 0.0018 240 VAL A O 1247 C CB . VAL A 159 ? 0.1969 0.2039 0.2061 0.0117 -0.0163 0.0015 240 VAL A CB 1248 C CG1 . VAL A 159 ? 0.2039 0.2035 0.2054 0.0115 -0.0166 0.0017 240 VAL A CG1 1249 C CG2 . VAL A 159 ? 0.1983 0.2077 0.2094 0.0144 -0.0183 0.0011 240 VAL A CG2 1250 N N . MET A 160 ? 0.2105 0.2142 0.2168 0.0076 -0.0146 0.0013 241 MET A N 1251 C CA . MET A 160 ? 0.2199 0.2214 0.2245 0.0055 -0.0123 0.0015 241 MET A CA 1252 C C . MET A 160 ? 0.2228 0.2170 0.2196 0.0052 -0.0120 0.0017 241 MET A C 1253 O O . MET A 160 ? 0.2229 0.2134 0.2152 0.0066 -0.0144 0.0015 241 MET A O 1254 C CB . MET A 160 ? 0.2408 0.2441 0.2472 0.0048 -0.0128 0.0010 241 MET A CB 1255 C CG . MET A 160 ? 0.2508 0.2607 0.2644 0.0046 -0.0127 0.0009 241 MET A CG 1256 S SD . MET A 160 ? 0.2949 0.3058 0.3097 0.0034 -0.0134 0.0003 241 MET A SD 1257 C CE . MET A 160 ? 0.2793 0.2867 0.2912 0.0016 -0.0103 0.0006 241 MET A CE 1258 N N . THR A 161 ? 0.2145 0.2068 0.2099 0.0034 -0.0092 0.0021 242 THR A N 1259 C CA . THR A 161 ? 0.2175 0.2028 0.2057 0.0027 -0.0082 0.0023 242 THR A CA 1260 C C . THR A 161 ? 0.2170 0.2008 0.2040 0.0009 -0.0058 0.0022 242 THR A C 1261 O O . THR A 161 ? 0.2086 0.1968 0.2009 0.0000 -0.0041 0.0022 242 THR A O 1262 C CB . THR A 161 ? 0.2210 0.2046 0.2080 0.0021 -0.0067 0.0029 242 THR A CB 1263 O OG1 . THR A 161 ? 0.2211 0.2054 0.2084 0.0041 -0.0090 0.0029 242 THR A OG1 1264 C CG2 . THR A 161 ? 0.2294 0.2056 0.2088 0.0010 -0.0052 0.0032 242 THR A CG2 1265 N N . ASP A 162 ? 0.2202 0.1975 0.2000 0.0006 -0.0056 0.0022 243 ASP A N 1266 C CA . ASP A 162 ? 0.2232 0.1980 0.2007 -0.0010 -0.0029 0.0021 243 ASP A CA 1267 C C . ASP A 162 ? 0.2342 0.2012 0.2035 -0.0018 -0.0016 0.0024 243 ASP A C 1268 O O . ASP A 162 ? 0.2405 0.2025 0.2039 -0.0006 -0.0039 0.0024 243 ASP A O 1269 C CB . ASP A 162 ? 0.2257 0.2002 0.2023 -0.0005 -0.0047 0.0015 243 ASP A CB 1270 C CG . ASP A 162 ? 0.2274 0.2012 0.2038 -0.0019 -0.0019 0.0012 243 ASP A CG 1271 O OD1 . ASP A 162 ? 0.2283 0.2004 0.2036 -0.0033 0.0015 0.0015 243 ASP A OD1 1272 O OD2 . ASP A 162 ? 0.2273 0.2022 0.2047 -0.0017 -0.0031 0.0007 243 ASP A OD2 1273 N N . GLY A 163 ? 0.2370 0.2030 0.2061 -0.0036 0.0022 0.0026 244 GLY A N 1274 C CA . GLY A 163 ? 0.2515 0.2101 0.2129 -0.0048 0.0041 0.0029 244 GLY A CA 1275 C C . GLY A 163 ? 0.2503 0.2107 0.2146 -0.0064 0.0069 0.0033 244 GLY A C 1276 O O . GLY A 163 ? 0.2385 0.2056 0.2107 -0.0067 0.0077 0.0033 244 GLY A O 1277 N N . SER A 164 ? 0.2629 0.2166 0.2204 -0.0074 0.0082 0.0037 245 SER A N 1278 C CA . SER A 164 ? 0.2667 0.2209 0.2260 -0.0095 0.0113 0.0041 245 SER A CA 1279 C C . SER A 164 ? 0.2663 0.2254 0.2313 -0.0090 0.0096 0.0043 245 SER A C 1280 O O . SER A 164 ? 0.2621 0.2207 0.2259 -0.0071 0.0063 0.0044 245 SER A O 1281 C CB . SER A 164 ? 0.2783 0.2235 0.2281 -0.0108 0.0128 0.0045 245 SER A CB 1282 O OG . SER A 164 ? 0.2760 0.2217 0.2278 -0.0131 0.0156 0.0048 245 SER A OG 1283 N N . ALA A 165 ? 0.2704 0.2342 0.2417 -0.0107 0.0120 0.0043 246 ALA A N 1284 C CA . ALA A 165 ? 0.2787 0.2463 0.2547 -0.0106 0.0109 0.0046 246 ALA A CA 1285 C C . ALA A 165 ? 0.2958 0.2579 0.2667 -0.0120 0.0116 0.0050 246 ALA A C 1286 O O . ALA A 165 ? 0.2944 0.2583 0.2679 -0.0120 0.0106 0.0053 246 ALA A O 1287 C CB . ALA A 165 ? 0.2733 0.2482 0.2583 -0.0116 0.0127 0.0043 246 ALA A CB 1288 N N . SER A 166 ? 0.3112 0.2662 0.2746 -0.0133 0.0135 0.0052 247 SER A N 1289 C CA . SER A 166 ? 0.3328 0.2820 0.2910 -0.0153 0.0149 0.0057 247 SER A CA 1290 C C . SER A 166 ? 0.3433 0.2828 0.2903 -0.0147 0.0141 0.0060 247 SER A C 1291 O O . SER A 166 ? 0.3583 0.2912 0.2991 -0.0168 0.0163 0.0064 247 SER A O 1292 C CB . SER A 166 ? 0.3398 0.2903 0.3009 -0.0185 0.0194 0.0056 247 SER A CB 1293 O OG . SER A 166 ? 0.3537 0.3022 0.3121 -0.0190 0.0218 0.0053 247 SER A OG 1294 N N . GLY A 167 ? 0.3391 0.2776 0.2836 -0.0119 0.0107 0.0058 248 GLY A N 1295 C CA . GLY A 167 ? 0.3496 0.2790 0.2836 -0.0108 0.0093 0.0060 248 GLY A CA 1296 C C . GLY A 167 ? 0.3521 0.2832 0.2864 -0.0075 0.0051 0.0057 248 GLY A C 1297 O O . GLY A 167 ? 0.3298 0.2689 0.2724 -0.0063 0.0037 0.0053 248 GLY A O 1298 N N . ARG A 168 ? 0.3644 0.2877 0.2896 -0.0060 0.0029 0.0057 249 ARG A N 1299 C CA . ARG A 168 ? 0.3812 0.3056 0.3063 -0.0029 -0.0014 0.0052 249 ARG A CA 1300 C C . ARG A 168 ? 0.3520 0.2837 0.2844 -0.0027 -0.0011 0.0047 249 ARG A C 1301 O O . ARG A 168 ? 0.3454 0.2761 0.2769 -0.0044 0.0018 0.0046 249 ARG A O 1302 C CB . ARG A 168 ? 0.4266 0.3407 0.3401 -0.0019 -0.0030 0.0053 249 ARG A CB 1303 C CG . ARG A 168 ? 0.4644 0.3790 0.3773 0.0011 -0.0075 0.0047 249 ARG A CG 1304 C CD . ARG A 168 ? 0.4993 0.4168 0.4150 0.0040 -0.0116 0.0045 249 ARG A CD 1305 N NE . ARG A 168 ? 0.5485 0.4566 0.4540 0.0058 -0.0143 0.0047 249 ARG A NE 1306 C CZ . ARG A 168 ? 0.5929 0.5004 0.4980 0.0078 -0.0168 0.0048 249 ARG A CZ 1307 N NH1 . ARG A 168 ? 0.5933 0.5088 0.5072 0.0083 -0.0168 0.0047 249 ARG A NH1 1308 N NH2 . ARG A 168 ? 0.6197 0.5179 0.5148 0.0096 -0.0193 0.0049 249 ARG A NH2 1309 N N . ALA A 169 ? 0.3234 0.2621 0.2628 -0.0007 -0.0039 0.0043 250 ALA A N 1310 C CA . ALA A 169 ? 0.3067 0.2523 0.2530 -0.0005 -0.0041 0.0038 250 ALA A CA 1311 C C . ALA A 169 ? 0.3013 0.2478 0.2476 0.0022 -0.0086 0.0033 250 ALA A C 1312 O O . ALA A 169 ? 0.3081 0.2501 0.2492 0.0041 -0.0115 0.0033 250 ALA A O 1313 C CB . ALA A 169 ? 0.2972 0.2515 0.2535 -0.0012 -0.0027 0.0038 250 ALA A CB 1314 N N . ASP A 170 ? 0.2836 0.2362 0.2361 0.0025 -0.0092 0.0028 251 ASP A N 1315 C CA . ASP A 170 ? 0.2797 0.2339 0.2331 0.0046 -0.0132 0.0022 251 ASP A CA 1316 C C . ASP A 170 ? 0.2616 0.2252 0.2250 0.0055 -0.0143 0.0019 251 ASP A C 1317 O O . ASP A 170 ? 0.2486 0.2176 0.2180 0.0045 -0.0129 0.0017 251 ASP A O 1318 C CB . ASP A 170 ? 0.2886 0.2407 0.2394 0.0040 -0.0132 0.0017 251 ASP A CB 1319 C CG . ASP A 170 ? 0.3008 0.2534 0.2515 0.0060 -0.0177 0.0010 251 ASP A CG 1320 O OD1 . ASP A 170 ? 0.2995 0.2580 0.2563 0.0076 -0.0201 0.0007 251 ASP A OD1 1321 O OD2 . ASP A 170 ? 0.3195 0.2667 0.2641 0.0060 -0.0188 0.0007 251 ASP A OD2 1322 N N . THR A 171 ? 0.2514 0.2163 0.2160 0.0074 -0.0165 0.0019 252 THR A N 1323 C CA . THR A 171 ? 0.2423 0.2154 0.2155 0.0084 -0.0173 0.0018 252 THR A CA 1324 C C . THR A 171 ? 0.2448 0.2207 0.2204 0.0104 -0.0210 0.0010 252 THR A C 1325 O O . THR A 171 ? 0.2509 0.2224 0.2214 0.0122 -0.0240 0.0007 252 THR A O 1326 C CB . THR A 171 ? 0.2409 0.2140 0.2144 0.0092 -0.0170 0.0022 252 THR A CB 1327 O OG1 . THR A 171 ? 0.2365 0.2081 0.2092 0.0069 -0.0135 0.0028 252 THR A OG1 1328 C CG2 . THR A 171 ? 0.2365 0.2173 0.2180 0.0105 -0.0179 0.0019 252 THR A CG2 1329 N N . ARG A 172 ? 0.2360 0.2194 0.2196 0.0101 -0.0210 0.0007 253 ARG A N 1330 C CA . ARG A 172 ? 0.2414 0.2288 0.2287 0.0117 -0.0242 -0.0001 253 ARG A CA 1331 C C . ARG A 172 ? 0.2308 0.2266 0.2270 0.0122 -0.0239 -0.0002 253 ARG A C 1332 O O . ARG A 172 ? 0.2266 0.2254 0.2265 0.0108 -0.0210 0.0002 253 ARG A O 1333 C CB . ARG A 172 ? 0.2496 0.2366 0.2365 0.0104 -0.0247 -0.0006 253 ARG A CB 1334 C CG . ARG A 172 ? 0.2652 0.2434 0.2427 0.0097 -0.0246 -0.0004 253 ARG A CG 1335 C CD . ARG A 172 ? 0.2784 0.2554 0.2546 0.0087 -0.0254 -0.0010 253 ARG A CD 1336 N NE . ARG A 172 ? 0.2979 0.2659 0.2645 0.0081 -0.0247 -0.0008 253 ARG A NE 1337 C CZ . ARG A 172 ? 0.3110 0.2751 0.2734 0.0074 -0.0253 -0.0012 253 ARG A CZ 1338 N NH1 . ARG A 172 ? 0.3121 0.2806 0.2793 0.0070 -0.0269 -0.0018 253 ARG A NH1 1339 N NH2 . ARG A 172 ? 0.3237 0.2793 0.2768 0.0069 -0.0243 -0.0010 253 ARG A NH2 1340 N N . ILE A 173 ? 0.2272 0.2263 0.2267 0.0142 -0.0269 -0.0009 254 ILE A N 1341 C CA . ILE A 173 ? 0.2200 0.2269 0.2276 0.0149 -0.0266 -0.0011 254 ILE A CA 1342 C C . ILE A 173 ? 0.2143 0.2264 0.2275 0.0144 -0.0281 -0.0019 254 ILE A C 1343 O O . ILE A 173 ? 0.2154 0.2265 0.2274 0.0155 -0.0313 -0.0026 254 ILE A O 1344 C CB . ILE A 173 ? 0.2210 0.2283 0.2287 0.0179 -0.0285 -0.0013 254 ILE A CB 1345 C CG1 . ILE A 173 ? 0.2237 0.2259 0.2262 0.0180 -0.0268 -0.0006 254 ILE A CG1 1346 C CG2 . ILE A 173 ? 0.2160 0.2316 0.2323 0.0187 -0.0282 -0.0017 254 ILE A CG2 1347 C CD1 . ILE A 173 ? 0.2331 0.2265 0.2263 0.0180 -0.0276 -0.0003 254 ILE A CD1 1348 N N . LEU A 174 ? 0.2078 0.2249 0.2266 0.0126 -0.0258 -0.0017 255 LEU A N 1349 C CA . LEU A 174 ? 0.2084 0.2301 0.2323 0.0115 -0.0267 -0.0023 255 LEU A CA 1350 C C . LEU A 174 ? 0.2028 0.2319 0.2344 0.0125 -0.0271 -0.0028 255 LEU A C 1351 O O . LEU A 174 ? 0.1983 0.2297 0.2322 0.0132 -0.0253 -0.0024 255 LEU A O 1352 C CB . LEU A 174 ? 0.2127 0.2346 0.2374 0.0088 -0.0238 -0.0019 255 LEU A CB 1353 C CG . LEU A 174 ? 0.2242 0.2399 0.2425 0.0075 -0.0236 -0.0018 255 LEU A CG 1354 C CD1 . LEU A 174 ? 0.2320 0.2416 0.2437 0.0079 -0.0223 -0.0012 255 LEU A CD1 1355 C CD2 . LEU A 174 ? 0.2261 0.2431 0.2465 0.0052 -0.0213 -0.0016 255 LEU A CD2 1356 N N . PHE A 175 ? 0.2008 0.2336 0.2365 0.0125 -0.0295 -0.0037 256 PHE A N 1357 C CA . PHE A 175 ? 0.1992 0.2398 0.2431 0.0131 -0.0298 -0.0042 256 PHE A CA 1358 C C . PHE A 175 ? 0.1990 0.2432 0.2473 0.0104 -0.0291 -0.0045 256 PHE A C 1359 O O . PHE A 175 ? 0.2015 0.2438 0.2482 0.0093 -0.0311 -0.0050 256 PHE A O 1360 C CB . PHE A 175 ? 0.1992 0.2412 0.2444 0.0157 -0.0337 -0.0052 256 PHE A CB 1361 C CG . PHE A 175 ? 0.2034 0.2412 0.2435 0.0185 -0.0345 -0.0050 256 PHE A CG 1362 C CD1 . PHE A 175 ? 0.2075 0.2374 0.2392 0.0190 -0.0362 -0.0048 256 PHE A CD1 1363 C CD2 . PHE A 175 ? 0.2010 0.2421 0.2443 0.0205 -0.0335 -0.0050 256 PHE A CD2 1364 C CE1 . PHE A 175 ? 0.2115 0.2368 0.2379 0.0214 -0.0370 -0.0045 256 PHE A CE1 1365 C CE2 . PHE A 175 ? 0.2060 0.2426 0.2442 0.0231 -0.0344 -0.0048 256 PHE A CE2 1366 C CZ . PHE A 175 ? 0.2096 0.2382 0.2393 0.0235 -0.0362 -0.0045 256 PHE A CZ 1367 N N . ILE A 176 ? 0.1996 0.2483 0.2529 0.0093 -0.0262 -0.0042 257 ILE A N 1368 C CA . ILE A 176 ? 0.2006 0.2514 0.2569 0.0065 -0.0247 -0.0041 257 ILE A CA 1369 C C . ILE A 176 ? 0.1994 0.2578 0.2639 0.0061 -0.0240 -0.0046 257 ILE A C 1370 O O . ILE A 176 ? 0.1965 0.2578 0.2636 0.0072 -0.0222 -0.0043 257 ILE A O 1371 C CB . ILE A 176 ? 0.2029 0.2505 0.2560 0.0051 -0.0213 -0.0031 257 ILE A CB 1372 C CG1 . ILE A 176 ? 0.2098 0.2504 0.2553 0.0055 -0.0216 -0.0026 257 ILE A CG1 1373 C CG2 . ILE A 176 ? 0.2004 0.2492 0.2555 0.0024 -0.0199 -0.0030 257 ILE A CG2 1374 C CD1 . ILE A 176 ? 0.2151 0.2533 0.2581 0.0054 -0.0186 -0.0017 257 ILE A CD1 1375 N N . GLU A 177 ? 0.2007 0.2620 0.2689 0.0043 -0.0253 -0.0053 258 GLU A N 1376 C CA . GLU A 177 ? 0.2076 0.2761 0.2837 0.0034 -0.0245 -0.0058 258 GLU A CA 1377 C C . GLU A 177 ? 0.2000 0.2687 0.2773 0.0001 -0.0225 -0.0055 258 GLU A C 1378 O O . GLU A 177 ? 0.1931 0.2592 0.2683 -0.0016 -0.0240 -0.0057 258 GLU A O 1379 C CB . GLU A 177 ? 0.2190 0.2916 0.2998 0.0043 -0.0282 -0.0071 258 GLU A CB 1380 C CG . GLU A 177 ? 0.2359 0.3088 0.3161 0.0079 -0.0302 -0.0074 258 GLU A CG 1381 C CD . GLU A 177 ? 0.2545 0.3311 0.3389 0.0092 -0.0344 -0.0088 258 GLU A CD 1382 O OE1 . GLU A 177 ? 0.2674 0.3472 0.3561 0.0072 -0.0359 -0.0096 258 GLU A OE1 1383 O OE2 . GLU A 177 ? 0.2807 0.3569 0.3641 0.0125 -0.0363 -0.0092 258 GLU A OE2 1384 N N . GLU A 178 ? 0.1991 0.2701 0.2789 -0.0007 -0.0191 -0.0049 259 GLU A N 1385 C CA . GLU A 178 ? 0.2066 0.2770 0.2866 -0.0037 -0.0168 -0.0045 259 GLU A CA 1386 C C . GLU A 178 ? 0.2007 0.2645 0.2741 -0.0047 -0.0171 -0.0040 259 GLU A C 1387 O O . GLU A 178 ? 0.1992 0.2618 0.2724 -0.0071 -0.0173 -0.0041 259 GLU A O 1388 C CB . GLU A 178 ? 0.2242 0.2997 0.3105 -0.0059 -0.0176 -0.0053 259 GLU A CB 1389 C CG . GLU A 178 ? 0.2361 0.3188 0.3297 -0.0053 -0.0166 -0.0058 259 GLU A CG 1390 C CD . GLU A 178 ? 0.2564 0.3441 0.3564 -0.0081 -0.0168 -0.0066 259 GLU A CD 1391 O OE1 . GLU A 178 ? 0.2878 0.3783 0.3912 -0.0081 -0.0201 -0.0077 259 GLU A OE1 1392 O OE2 . GLU A 178 ? 0.2746 0.3632 0.3761 -0.0104 -0.0137 -0.0061 259 GLU A OE2 1393 N N . GLY A 179 ? 0.1937 0.2531 0.2618 -0.0030 -0.0169 -0.0034 260 GLY A N 1394 C CA . GLY A 179 ? 0.1928 0.2459 0.2547 -0.0037 -0.0167 -0.0030 260 GLY A CA 1395 C C . GLY A 179 ? 0.1973 0.2469 0.2554 -0.0034 -0.0197 -0.0036 260 GLY A C 1396 O O . GLY A 179 ? 0.1923 0.2365 0.2449 -0.0037 -0.0194 -0.0033 260 GLY A O 1397 N N . LYS A 180 ? 0.2029 0.2553 0.2639 -0.0029 -0.0227 -0.0045 261 LYS A N 1398 C CA . LYS A 180 ? 0.2186 0.2674 0.2758 -0.0026 -0.0260 -0.0051 261 LYS A CA 1399 C C . LYS A 180 ? 0.2133 0.2598 0.2672 0.0002 -0.0277 -0.0052 261 LYS A C 1400 O O . LYS A 180 ? 0.2049 0.2555 0.2626 0.0020 -0.0284 -0.0054 261 LYS A O 1401 C CB . LYS A 180 ? 0.2346 0.2876 0.2970 -0.0037 -0.0287 -0.0062 261 LYS A CB 1402 C CG . LYS A 180 ? 0.2590 0.3082 0.3175 -0.0035 -0.0327 -0.0070 261 LYS A CG 1403 C CD . LYS A 180 ? 0.2828 0.3258 0.3353 -0.0054 -0.0322 -0.0068 261 LYS A CD 1404 C CE . LYS A 180 ? 0.3060 0.3461 0.3559 -0.0059 -0.0363 -0.0078 261 LYS A CE 1405 N NZ . LYS A 180 ? 0.3218 0.3556 0.3657 -0.0077 -0.0354 -0.0076 261 LYS A NZ 1406 N N . ILE A 181 ? 0.2113 0.2511 0.2578 0.0007 -0.0283 -0.0049 262 ILE A N 1407 C CA . ILE A 181 ? 0.2130 0.2493 0.2550 0.0031 -0.0300 -0.0049 262 ILE A CA 1408 C C . ILE A 181 ? 0.2121 0.2500 0.2558 0.0042 -0.0344 -0.0060 262 ILE A C 1409 O O . ILE A 181 ? 0.2124 0.2483 0.2545 0.0030 -0.0366 -0.0066 262 ILE A O 1410 C CB . ILE A 181 ? 0.2193 0.2477 0.2527 0.0030 -0.0294 -0.0045 262 ILE A CB 1411 C CG1 . ILE A 181 ? 0.2182 0.2453 0.2506 0.0019 -0.0252 -0.0035 262 ILE A CG1 1412 C CG2 . ILE A 181 ? 0.2260 0.2503 0.2544 0.0054 -0.0311 -0.0044 262 ILE A CG2 1413 C CD1 . ILE A 181 ? 0.2243 0.2445 0.2494 0.0013 -0.0240 -0.0032 262 ILE A CD1 1414 N N . VAL A 182 ? 0.2086 0.2503 0.2558 0.0065 -0.0358 -0.0064 263 VAL A N 1415 C CA . VAL A 182 ? 0.2148 0.2586 0.2643 0.0079 -0.0402 -0.0076 263 VAL A CA 1416 C C . VAL A 182 ? 0.2223 0.2604 0.2652 0.0106 -0.0430 -0.0077 263 VAL A C 1417 O O . VAL A 182 ? 0.2239 0.2615 0.2664 0.0117 -0.0473 -0.0086 263 VAL A O 1418 C CB . VAL A 182 ? 0.2139 0.2668 0.2732 0.0086 -0.0404 -0.0082 263 VAL A CB 1419 C CG1 . VAL A 182 ? 0.2124 0.2703 0.2778 0.0055 -0.0382 -0.0082 263 VAL A CG1 1420 C CG2 . VAL A 182 ? 0.2141 0.2685 0.2742 0.0108 -0.0382 -0.0076 263 VAL A CG2 1421 N N . HIS A 183 ? 0.2206 0.2541 0.2580 0.0116 -0.0408 -0.0067 264 HIS A N 1422 C CA . HIS A 183 ? 0.2302 0.2573 0.2603 0.0140 -0.0430 -0.0067 264 HIS A CA 1423 C C . HIS A 183 ? 0.2254 0.2468 0.2491 0.0137 -0.0396 -0.0055 264 HIS A C 1424 O O . HIS A 183 ? 0.2173 0.2415 0.2440 0.0128 -0.0360 -0.0048 264 HIS A O 1425 C CB . HIS A 183 ? 0.2344 0.2655 0.2684 0.0171 -0.0452 -0.0073 264 HIS A CB 1426 C CG . HIS A 183 ? 0.2472 0.2718 0.2740 0.0198 -0.0486 -0.0075 264 HIS A CG 1427 N ND1 . HIS A 183 ? 0.2583 0.2814 0.2837 0.0210 -0.0534 -0.0085 264 HIS A ND1 1428 C CD2 . HIS A 183 ? 0.2552 0.2736 0.2749 0.0214 -0.0479 -0.0068 264 HIS A CD2 1429 C CE1 . HIS A 183 ? 0.2669 0.2831 0.2846 0.0234 -0.0555 -0.0085 264 HIS A CE1 1430 N NE2 . HIS A 183 ? 0.2653 0.2785 0.2794 0.0236 -0.0521 -0.0074 264 HIS A NE2 1431 N N . ILE A 184 ? 0.2297 0.2429 0.2444 0.0144 -0.0407 -0.0053 265 ILE A N 1432 C CA . ILE A 184 ? 0.2325 0.2399 0.2408 0.0142 -0.0378 -0.0043 265 ILE A CA 1433 C C . ILE A 184 ? 0.2401 0.2415 0.2417 0.0168 -0.0402 -0.0043 265 ILE A C 1434 O O . ILE A 184 ? 0.2450 0.2417 0.2414 0.0176 -0.0435 -0.0048 265 ILE A O 1435 C CB . ILE A 184 ? 0.2392 0.2411 0.2419 0.0118 -0.0356 -0.0038 265 ILE A CB 1436 C CG1 . ILE A 184 ? 0.2353 0.2424 0.2441 0.0094 -0.0336 -0.0039 265 ILE A CG1 1437 C CG2 . ILE A 184 ? 0.2405 0.2375 0.2379 0.0114 -0.0323 -0.0028 265 ILE A CG2 1438 C CD1 . ILE A 184 ? 0.2396 0.2417 0.2434 0.0073 -0.0316 -0.0036 265 ILE A CD1 1439 N N . SER A 185 ? 0.2358 0.2370 0.2369 0.0180 -0.0386 -0.0037 266 SER A N 1440 C CA . SER A 185 ? 0.2446 0.2396 0.2389 0.0204 -0.0406 -0.0036 266 SER A CA 1441 C C . SER A 185 ? 0.2496 0.2374 0.2363 0.0192 -0.0375 -0.0026 266 SER A C 1442 O O . SER A 185 ? 0.2467 0.2369 0.2361 0.0177 -0.0338 -0.0019 266 SER A O 1443 C CB . SER A 185 ? 0.2420 0.2416 0.2410 0.0231 -0.0416 -0.0039 266 SER A CB 1444 O OG . SER A 185 ? 0.2417 0.2483 0.2481 0.0244 -0.0445 -0.0050 266 SER A OG 1445 N N . PRO A 186 ? 0.2587 0.2376 0.2358 0.0198 -0.0389 -0.0025 267 PRO A N 1446 C CA . PRO A 186 ? 0.2603 0.2326 0.2305 0.0186 -0.0358 -0.0015 267 PRO A CA 1447 C C . PRO A 186 ? 0.2562 0.2286 0.2265 0.0202 -0.0354 -0.0011 267 PRO A C 1448 O O . PRO A 186 ? 0.2486 0.2233 0.2212 0.0230 -0.0383 -0.0016 267 PRO A O 1449 C CB . PRO A 186 ? 0.2763 0.2387 0.2358 0.0190 -0.0379 -0.0015 267 PRO A CB 1450 C CG . PRO A 186 ? 0.2815 0.2452 0.2422 0.0215 -0.0430 -0.0026 267 PRO A CG 1451 C CD . PRO A 186 ? 0.2700 0.2444 0.2421 0.0213 -0.0433 -0.0032 267 PRO A CD 1452 N N . LEU A 187 ? 0.2511 0.2210 0.2191 0.0185 -0.0317 -0.0002 268 LEU A N 1453 C CA . LEU A 187 ? 0.2538 0.2218 0.2200 0.0197 -0.0313 0.0002 268 LEU A CA 1454 C C . LEU A 187 ? 0.2655 0.2255 0.2231 0.0222 -0.0346 0.0001 268 LEU A C 1455 O O . LEU A 187 ? 0.2737 0.2268 0.2238 0.0218 -0.0355 0.0001 268 LEU A O 1456 C CB . LEU A 187 ? 0.2533 0.2185 0.2171 0.0171 -0.0271 0.0012 268 LEU A CB 1457 C CG . LEU A 187 ? 0.2563 0.2184 0.2172 0.0178 -0.0265 0.0017 268 LEU A CG 1458 C CD1 . LEU A 187 ? 0.2511 0.2208 0.2201 0.0190 -0.0263 0.0015 268 LEU A CD1 1459 C CD2 . LEU A 187 ? 0.2599 0.2173 0.2166 0.0149 -0.0228 0.0025 268 LEU A CD2 1460 N N . SER A 188 ? 0.2703 0.2313 0.2289 0.0250 -0.0365 -0.0002 269 SER A N 1461 C CA . SER A 188 ? 0.2859 0.2390 0.2362 0.0277 -0.0396 -0.0003 269 SER A CA 1462 C C . SER A 188 ? 0.2828 0.2344 0.2318 0.0287 -0.0385 0.0002 269 SER A C 1463 O O . SER A 188 ? 0.2743 0.2319 0.2299 0.0278 -0.0360 0.0004 269 SER A O 1464 C CB . SER A 188 ? 0.2937 0.2499 0.2469 0.0310 -0.0443 -0.0014 269 SER A CB 1465 O OG . SER A 188 ? 0.3200 0.2680 0.2645 0.0337 -0.0477 -0.0016 269 SER A OG 1466 N N . GLY A 189 ? 0.2909 0.2338 0.2309 0.0307 -0.0405 0.0003 270 GLY A N 1467 C CA . GLY A 189 ? 0.2915 0.2314 0.2288 0.0317 -0.0397 0.0008 270 GLY A CA 1468 C C . GLY A 189 ? 0.2966 0.2282 0.2259 0.0287 -0.0366 0.0018 270 GLY A C 1469 O O . GLY A 189 ? 0.3064 0.2323 0.2296 0.0267 -0.0359 0.0022 270 GLY A O 1470 N N . SER A 190 ? 0.2928 0.2238 0.2220 0.0282 -0.0347 0.0023 271 SER A N 1471 C CA . SER A 190 ? 0.2945 0.2170 0.2156 0.0255 -0.0322 0.0033 271 SER A CA 1472 C C . SER A 190 ? 0.2875 0.2140 0.2133 0.0214 -0.0277 0.0039 271 SER A C 1473 O O . SER A 190 ? 0.2894 0.2097 0.2095 0.0188 -0.0253 0.0046 271 SER A O 1474 C CB . SER A 190 ? 0.2987 0.2152 0.2141 0.0277 -0.0335 0.0034 271 SER A CB 1475 O OG . SER A 190 ? 0.2922 0.2150 0.2144 0.0283 -0.0325 0.0033 271 SER A OG 1476 N N . ALA A 191 ? 0.2788 0.2152 0.2148 0.0208 -0.0266 0.0036 272 ALA A N 1477 C CA . ALA A 191 ? 0.2729 0.2131 0.2135 0.0171 -0.0226 0.0040 272 ALA A CA 1478 C C . ALA A 191 ? 0.2787 0.2151 0.2154 0.0143 -0.0207 0.0043 272 ALA A C 1479 O O . ALA A 191 ? 0.2814 0.2179 0.2174 0.0150 -0.0222 0.0039 272 ALA A O 1480 C CB . ALA A 191 ? 0.2631 0.2140 0.2146 0.0173 -0.0221 0.0036 272 ALA A CB 1481 N N . GLN A 192 ? 0.2845 0.2175 0.2185 0.0111 -0.0174 0.0050 273 GLN A N 1482 C CA . GLN A 192 ? 0.2913 0.2199 0.2208 0.0084 -0.0152 0.0053 273 GLN A CA 1483 C C . GLN A 192 ? 0.2791 0.2144 0.2159 0.0057 -0.0120 0.0052 273 GLN A C 1484 O O . GLN A 192 ? 0.2796 0.2126 0.2139 0.0039 -0.0102 0.0053 273 GLN A O 1485 C CB . GLN A 192 ? 0.3113 0.2302 0.2316 0.0065 -0.0136 0.0059 273 GLN A CB 1486 C CG . GLN A 192 ? 0.3308 0.2408 0.2413 0.0092 -0.0168 0.0059 273 GLN A CG 1487 C CD . GLN A 192 ? 0.3522 0.2514 0.2521 0.0070 -0.0150 0.0066 273 GLN A CD 1488 O OE1 . GLN A 192 ? 0.3693 0.2660 0.2669 0.0038 -0.0117 0.0069 273 GLN A OE1 1489 N NE2 . GLN A 192 ? 0.3633 0.2555 0.2563 0.0086 -0.0170 0.0069 273 GLN A NE2 1490 N N . HIS A 193 ? 0.2648 0.2080 0.2103 0.0055 -0.0113 0.0051 274 HIS A N 1491 C CA . HIS A 193 ? 0.2544 0.2044 0.2073 0.0035 -0.0088 0.0050 274 HIS A CA 1492 C C . HIS A 193 ? 0.2456 0.2042 0.2074 0.0048 -0.0096 0.0048 274 HIS A C 1493 O O . HIS A 193 ? 0.2425 0.2017 0.2053 0.0056 -0.0102 0.0049 274 HIS A O 1494 C CB . HIS A 193 ? 0.2551 0.2033 0.2074 0.0001 -0.0051 0.0055 274 HIS A CB 1495 C CG . HIS A 193 ? 0.2490 0.2019 0.2065 -0.0020 -0.0024 0.0053 274 HIS A CG 1496 N ND1 . HIS A 193 ? 0.2425 0.2024 0.2081 -0.0031 -0.0008 0.0053 274 HIS A ND1 1497 C CD2 . HIS A 193 ? 0.2501 0.2012 0.2054 -0.0028 -0.0011 0.0052 274 HIS A CD2 1498 C CE1 . HIS A 193 ? 0.2397 0.2022 0.2082 -0.0045 0.0014 0.0051 274 HIS A CE1 1499 N NE2 . HIS A 193 ? 0.2464 0.2037 0.2088 -0.0044 0.0014 0.0050 274 HIS A NE2 1500 N N . ILE A 194 ? 0.2398 0.2044 0.2075 0.0049 -0.0096 0.0044 275 ILE A N 1501 C CA . ILE A 194 ? 0.2316 0.2042 0.2074 0.0061 -0.0104 0.0041 275 ILE A CA 1502 C C . ILE A 194 ? 0.2250 0.2033 0.2073 0.0041 -0.0080 0.0040 275 ILE A C 1503 O O . ILE A 194 ? 0.2269 0.2057 0.2095 0.0033 -0.0073 0.0038 275 ILE A O 1504 C CB . ILE A 194 ? 0.2310 0.2060 0.2082 0.0087 -0.0134 0.0035 275 ILE A CB 1505 C CG1 . ILE A 194 ? 0.2359 0.2061 0.2076 0.0113 -0.0162 0.0034 275 ILE A CG1 1506 C CG2 . ILE A 194 ? 0.2258 0.2090 0.2115 0.0095 -0.0136 0.0032 275 ILE A CG2 1507 C CD1 . ILE A 194 ? 0.2362 0.2070 0.2088 0.0126 -0.0166 0.0036 275 ILE A CD1 1508 N N . GLU A 195 ? 0.2186 0.2008 0.2057 0.0036 -0.0070 0.0042 276 GLU A N 1509 C CA . GLU A 195 ? 0.2119 0.1998 0.2055 0.0022 -0.0052 0.0041 276 GLU A CA 1510 C C . GLU A 195 ? 0.2002 0.1934 0.1993 0.0034 -0.0060 0.0041 276 GLU A C 1511 O O . GLU A 195 ? 0.1957 0.1876 0.1935 0.0044 -0.0069 0.0042 276 GLU A O 1512 C CB . GLU A 195 ? 0.2201 0.2067 0.2137 -0.0004 -0.0025 0.0044 276 GLU A CB 1513 C CG . GLU A 195 ? 0.2362 0.2172 0.2242 -0.0020 -0.0009 0.0046 276 GLU A CG 1514 C CD . GLU A 195 ? 0.2452 0.2277 0.2347 -0.0030 0.0007 0.0043 276 GLU A CD 1515 O OE1 . GLU A 195 ? 0.2545 0.2416 0.2483 -0.0021 -0.0001 0.0040 276 GLU A OE1 1516 O OE2 . GLU A 195 ? 0.2559 0.2346 0.2419 -0.0048 0.0028 0.0044 276 GLU A OE2 1517 N N . GLU A 196 ? 0.1927 0.1913 0.1974 0.0032 -0.0055 0.0039 277 GLU A N 1518 C CA . GLU A 196 ? 0.1861 0.1893 0.1959 0.0036 -0.0054 0.0039 277 GLU A CA 1519 C C . GLU A 196 ? 0.1881 0.1918 0.1977 0.0058 -0.0071 0.0039 277 GLU A C 1520 O O . GLU A 196 ? 0.1871 0.1907 0.1970 0.0061 -0.0070 0.0041 277 GLU A O 1521 C CB . GLU A 196 ? 0.1854 0.1884 0.1963 0.0018 -0.0037 0.0042 277 GLU A CB 1522 C CG . GLU A 196 ? 0.1850 0.1890 0.1977 -0.0001 -0.0018 0.0041 277 GLU A CG 1523 C CD . GLU A 196 ? 0.1866 0.1904 0.2006 -0.0019 -0.0002 0.0043 277 GLU A CD 1524 O OE1 . GLU A 196 ? 0.1874 0.1888 0.1994 -0.0021 -0.0005 0.0045 277 GLU A OE1 1525 O OE2 . GLU A 196 ? 0.1881 0.1941 0.2053 -0.0032 0.0014 0.0041 277 GLU A OE2 1526 N N . CYS A 197 ? 0.1910 0.1953 0.2002 0.0076 -0.0088 0.0035 278 CYS A N 1527 C CA . CYS A 197 ? 0.1949 0.1999 0.2041 0.0100 -0.0104 0.0033 278 CYS A CA 1528 C C . CYS A 197 ? 0.1861 0.1961 0.2004 0.0106 -0.0099 0.0033 278 CYS A C 1529 O O . CYS A 197 ? 0.1812 0.1953 0.1999 0.0097 -0.0090 0.0032 278 CYS A O 1530 C CB . CYS A 197 ? 0.2015 0.2067 0.2100 0.0117 -0.0125 0.0028 278 CYS A CB 1531 S SG . CYS A 197 ? 0.2222 0.2199 0.2227 0.0119 -0.0138 0.0029 278 CYS A SG 1532 N N . SER A 198 ? 0.1862 0.1950 0.1992 0.0120 -0.0103 0.0034 279 SER A N 1533 C CA . SER A 198 ? 0.1811 0.1937 0.1978 0.0130 -0.0098 0.0033 279 SER A CA 1534 C C . SER A 198 ? 0.1821 0.1962 0.1993 0.0158 -0.0113 0.0028 279 SER A C 1535 O O . SER A 198 ? 0.1816 0.1923 0.1951 0.0176 -0.0124 0.0027 279 SER A O 1536 C CB . SER A 198 ? 0.1862 0.1960 0.2007 0.0127 -0.0092 0.0037 279 SER A CB 1537 O OG . SER A 198 ? 0.1879 0.1973 0.2030 0.0102 -0.0079 0.0040 279 SER A OG 1538 N N . CYS A 199 ? 0.1764 0.1956 0.1984 0.0161 -0.0113 0.0024 280 CYS A N 1539 C CA . CYS A 199 ? 0.1794 0.2010 0.2031 0.0185 -0.0129 0.0017 280 CYS A CA 1540 C C . CYS A 199 ? 0.1747 0.2008 0.2027 0.0198 -0.0119 0.0015 280 CYS A C 1541 O O . CYS A 199 ? 0.1708 0.1991 0.2013 0.0185 -0.0101 0.0018 280 CYS A O 1542 C CB . CYS A 199 ? 0.1810 0.2051 0.2072 0.0178 -0.0138 0.0013 280 CYS A CB 1543 S SG . CYS A 199 ? 0.1865 0.2051 0.2073 0.0164 -0.0148 0.0015 280 CYS A SG 1544 N N . TYR A 200 ? 0.1760 0.2035 0.2048 0.0226 -0.0131 0.0009 281 TYR A N 1545 C CA . TYR A 200 ? 0.1728 0.2048 0.2057 0.0240 -0.0120 0.0005 281 TYR A CA 1546 C C . TYR A 200 ? 0.1781 0.2139 0.2144 0.0266 -0.0135 -0.0004 281 TYR A C 1547 O O . TYR A 200 ? 0.1841 0.2175 0.2178 0.0281 -0.0159 -0.0007 281 TYR A O 1548 C CB . TYR A 200 ? 0.1752 0.2036 0.2044 0.0252 -0.0111 0.0009 281 TYR A CB 1549 C CG . TYR A 200 ? 0.1799 0.2030 0.2035 0.0274 -0.0128 0.0008 281 TYR A CG 1550 C CD1 . TYR A 200 ? 0.1823 0.2063 0.2063 0.0309 -0.0138 0.0001 281 TYR A CD1 1551 C CD2 . TYR A 200 ? 0.1831 0.1999 0.2008 0.0261 -0.0134 0.0013 281 TYR A CD2 1552 C CE1 . TYR A 200 ? 0.1888 0.2073 0.2071 0.0330 -0.0155 0.0000 281 TYR A CE1 1553 C CE2 . TYR A 200 ? 0.1890 0.2002 0.2010 0.0280 -0.0149 0.0013 281 TYR A CE2 1554 C CZ . TYR A 200 ? 0.1918 0.2035 0.2038 0.0315 -0.0161 0.0006 281 TYR A CZ 1555 O OH . TYR A 200 ? 0.2042 0.2097 0.2098 0.0334 -0.0177 0.0006 281 TYR A OH 1556 N N . PRO A 201 ? 0.1778 0.2196 0.2200 0.0269 -0.0122 -0.0008 282 PRO A N 1557 C CA . PRO A 201 ? 0.1811 0.2276 0.2277 0.0293 -0.0135 -0.0018 282 PRO A CA 1558 C C . PRO A 201 ? 0.1914 0.2356 0.2352 0.0329 -0.0143 -0.0022 282 PRO A C 1559 O O . PRO A 201 ? 0.1884 0.2305 0.2299 0.0335 -0.0125 -0.0018 282 PRO A O 1560 C CB . PRO A 201 ? 0.1754 0.2285 0.2288 0.0283 -0.0112 -0.0021 282 PRO A CB 1561 C CG . PRO A 201 ? 0.1734 0.2242 0.2245 0.0267 -0.0085 -0.0012 282 PRO A CG 1562 C CD . PRO A 201 ? 0.1732 0.2179 0.2185 0.0251 -0.0094 -0.0005 282 PRO A CD 1563 N N . ARG A 202 ? 0.2061 0.2500 0.2495 0.0353 -0.0171 -0.0029 283 ARG A N 1564 C CA . ARG A 202 ? 0.2219 0.2642 0.2634 0.0392 -0.0181 -0.0035 283 ARG A CA 1565 C C . ARG A 202 ? 0.2249 0.2730 0.2723 0.0415 -0.0202 -0.0047 283 ARG A C 1566 O O . ARG A 202 ? 0.2226 0.2683 0.2677 0.0431 -0.0235 -0.0051 283 ARG A O 1567 C CB . ARG A 202 ? 0.2416 0.2751 0.2742 0.0400 -0.0200 -0.0030 283 ARG A CB 1568 C CG . ARG A 202 ? 0.2613 0.2916 0.2904 0.0439 -0.0208 -0.0034 283 ARG A CG 1569 C CD . ARG A 202 ? 0.2771 0.2982 0.2970 0.0442 -0.0225 -0.0028 283 ARG A CD 1570 N NE . ARG A 202 ? 0.2946 0.3120 0.3105 0.0479 -0.0231 -0.0032 283 ARG A NE 1571 C CZ . ARG A 202 ? 0.3179 0.3360 0.3343 0.0519 -0.0253 -0.0042 283 ARG A CZ 1572 N NH1 . ARG A 202 ? 0.3230 0.3455 0.3439 0.0528 -0.0275 -0.0049 283 ARG A NH1 1573 N NH2 . ARG A 202 ? 0.3332 0.3474 0.3455 0.0552 -0.0256 -0.0044 283 ARG A NH2 1574 N N . TYR A 203 ? 0.2227 0.2785 0.2779 0.0414 -0.0183 -0.0053 284 TYR A N 1575 C CA . TYR A 203 ? 0.2318 0.2948 0.2945 0.0427 -0.0200 -0.0065 284 TYR A CA 1576 C C . TYR A 203 ? 0.2331 0.2943 0.2940 0.0469 -0.0234 -0.0074 284 TYR A C 1577 O O . TYR A 203 ? 0.2291 0.2872 0.2865 0.0499 -0.0230 -0.0074 284 TYR A O 1578 C CB . TYR A 203 ? 0.2373 0.3081 0.3079 0.0428 -0.0169 -0.0070 284 TYR A CB 1579 C CG . TYR A 203 ? 0.2448 0.3239 0.3243 0.0431 -0.0183 -0.0083 284 TYR A CG 1580 C CD1 . TYR A 203 ? 0.2473 0.3300 0.3311 0.0395 -0.0181 -0.0082 284 TYR A CD1 1581 C CD2 . TYR A 203 ? 0.2527 0.3359 0.3365 0.0471 -0.0199 -0.0096 284 TYR A CD2 1582 C CE1 . TYR A 203 ? 0.2539 0.3440 0.3459 0.0395 -0.0196 -0.0093 284 TYR A CE1 1583 C CE2 . TYR A 203 ? 0.2598 0.3510 0.3524 0.0473 -0.0214 -0.0108 284 TYR A CE2 1584 C CZ . TYR A 203 ? 0.2575 0.3522 0.3542 0.0434 -0.0213 -0.0107 284 TYR A CZ 1585 O OH . TYR A 203 ? 0.2651 0.3677 0.3707 0.0433 -0.0229 -0.0119 284 TYR A OH 1586 N N . PRO A 204 ? 0.2336 0.2965 0.2966 0.0474 -0.0269 -0.0081 285 PRO A N 1587 C CA . PRO A 204 ? 0.2307 0.2979 0.2986 0.0445 -0.0278 -0.0083 285 PRO A CA 1588 C C . PRO A 204 ? 0.2241 0.2852 0.2859 0.0412 -0.0286 -0.0073 285 PRO A C 1589 O O . PRO A 204 ? 0.2274 0.2911 0.2923 0.0389 -0.0296 -0.0075 285 PRO A O 1590 C CB . PRO A 204 ? 0.2349 0.3056 0.3067 0.0475 -0.0319 -0.0097 285 PRO A CB 1591 C CG . PRO A 204 ? 0.2437 0.3072 0.3079 0.0512 -0.0341 -0.0097 285 PRO A CG 1592 C CD . PRO A 204 ? 0.2449 0.3051 0.3052 0.0516 -0.0307 -0.0089 285 PRO A CD 1593 N N . GLY A 205 ? 0.2205 0.2737 0.2739 0.0408 -0.0279 -0.0063 286 GLY A N 1594 C CA . GLY A 205 ? 0.2151 0.2622 0.2624 0.0380 -0.0285 -0.0054 286 GLY A CA 1595 C C . GLY A 205 ? 0.2057 0.2499 0.2501 0.0350 -0.0251 -0.0042 286 GLY A C 1596 O O . GLY A 205 ? 0.2004 0.2478 0.2479 0.0346 -0.0222 -0.0040 286 GLY A O 1597 N N . VAL A 206 ? 0.2005 0.2387 0.2388 0.0330 -0.0254 -0.0034 287 VAL A N 1598 C CA . VAL A 206 ? 0.1950 0.2300 0.2302 0.0302 -0.0227 -0.0023 287 VAL A CA 1599 C C . VAL A 206 ? 0.1985 0.2250 0.2251 0.0306 -0.0235 -0.0017 287 VAL A C 1600 O O . VAL A 206 ? 0.2017 0.2240 0.2239 0.0315 -0.0260 -0.0019 287 VAL A O 1601 C CB . VAL A 206 ? 0.1920 0.2286 0.2293 0.0267 -0.0218 -0.0020 287 VAL A CB 1602 C CG1 . VAL A 206 ? 0.1911 0.2242 0.2251 0.0241 -0.0194 -0.0010 287 VAL A CG1 1603 C CG2 . VAL A 206 ? 0.1883 0.2329 0.2339 0.0261 -0.0208 -0.0026 287 VAL A CG2 1604 N N . ARG A 207 ? 0.1991 0.2227 0.2228 0.0300 -0.0214 -0.0010 288 ARG A N 1605 C CA . ARG A 207 ? 0.2046 0.2203 0.2204 0.0299 -0.0217 -0.0004 288 ARG A CA 1606 C C . ARG A 207 ? 0.2006 0.2143 0.2149 0.0264 -0.0193 0.0005 288 ARG A C 1607 O O . ARG A 207 ? 0.1910 0.2085 0.2093 0.0252 -0.0172 0.0007 288 ARG A O 1608 C CB . ARG A 207 ? 0.2151 0.2284 0.2283 0.0327 -0.0218 -0.0005 288 ARG A CB 1609 C CG . ARG A 207 ? 0.2273 0.2322 0.2322 0.0324 -0.0220 0.0001 288 ARG A CG 1610 C CD . ARG A 207 ? 0.2399 0.2417 0.2414 0.0360 -0.0232 -0.0002 288 ARG A CD 1611 N NE . ARG A 207 ? 0.2501 0.2508 0.2502 0.0389 -0.0263 -0.0010 288 ARG A NE 1612 C CZ . ARG A 207 ? 0.2644 0.2642 0.2634 0.0429 -0.0278 -0.0016 288 ARG A CZ 1613 N NH1 . ARG A 207 ? 0.2655 0.2653 0.2644 0.0443 -0.0264 -0.0016 288 ARG A NH1 1614 N NH2 . ARG A 207 ? 0.2700 0.2688 0.2678 0.0455 -0.0309 -0.0023 288 ARG A NH2 1615 N N . CYS A 208 ? 0.2015 0.2093 0.2101 0.0249 -0.0197 0.0010 289 CYS A N 1616 C CA . CYS A 208 ? 0.2031 0.2092 0.2106 0.0216 -0.0176 0.0017 289 CYS A CA 1617 C C . CYS A 208 ? 0.2094 0.2083 0.2100 0.0212 -0.0174 0.0022 289 CYS A C 1618 O O . CYS A 208 ? 0.2158 0.2095 0.2109 0.0225 -0.0192 0.0021 289 CYS A O 1619 C CB . CYS A 208 ? 0.2015 0.2079 0.2095 0.0196 -0.0176 0.0017 289 CYS A CB 1620 S SG . CYS A 208 ? 0.1992 0.2132 0.2146 0.0197 -0.0181 0.0010 289 CYS A SG 1621 N N . ILE A 209 ? 0.2091 0.2075 0.2099 0.0193 -0.0155 0.0028 290 ILE A N 1622 C CA . ILE A 209 ? 0.2155 0.2075 0.2105 0.0180 -0.0150 0.0033 290 ILE A CA 1623 C C . ILE A 209 ? 0.2103 0.2028 0.2066 0.0146 -0.0132 0.0037 290 ILE A C 1624 O O . ILE A 209 ? 0.1986 0.1959 0.2000 0.0135 -0.0118 0.0037 290 ILE A O 1625 C CB . ILE A 209 ? 0.2212 0.2120 0.2153 0.0188 -0.0146 0.0034 290 ILE A CB 1626 C CG1 . ILE A 209 ? 0.2339 0.2216 0.2242 0.0223 -0.0165 0.0031 290 ILE A CG1 1627 C CG2 . ILE A 209 ? 0.2223 0.2078 0.2121 0.0164 -0.0137 0.0040 290 ILE A CG2 1628 C CD1 . ILE A 209 ? 0.2383 0.2307 0.2325 0.0252 -0.0178 0.0023 290 ILE A CD1 1629 N N . CYS A 210 ? 0.2132 0.2006 0.2046 0.0131 -0.0130 0.0039 291 CYS A N 1630 C CA . CYS A 210 ? 0.2124 0.2006 0.2052 0.0103 -0.0113 0.0041 291 CYS A CA 1631 C C . CYS A 210 ? 0.2087 0.1922 0.1979 0.0078 -0.0098 0.0046 291 CYS A C 1632 O O . CYS A 210 ? 0.2075 0.1882 0.1943 0.0079 -0.0099 0.0048 291 CYS A O 1633 C CB . CYS A 210 ? 0.2183 0.2056 0.2095 0.0106 -0.0122 0.0039 291 CYS A CB 1634 S SG . CYS A 210 ? 0.2228 0.2148 0.2176 0.0137 -0.0146 0.0032 291 CYS A SG 1635 N N . ARG A 211 ? 0.2038 0.1866 0.1927 0.0055 -0.0082 0.0047 292 ARG A N 1636 C CA . ARG A 211 ? 0.2029 0.1824 0.1896 0.0027 -0.0063 0.0051 292 ARG A CA 1637 C C . ARG A 211 ? 0.2101 0.1839 0.1907 0.0019 -0.0059 0.0052 292 ARG A C 1638 O O . ARG A 211 ? 0.2078 0.1827 0.1889 0.0020 -0.0058 0.0050 292 ARG A O 1639 C CB . ARG A 211 ? 0.1950 0.1797 0.1880 0.0007 -0.0044 0.0051 292 ARG A CB 1640 C CG . ARG A 211 ? 0.1959 0.1786 0.1882 -0.0023 -0.0020 0.0053 292 ARG A CG 1641 C CD . ARG A 211 ? 0.1892 0.1778 0.1883 -0.0036 -0.0005 0.0051 292 ARG A CD 1642 N NE . ARG A 211 ? 0.1914 0.1791 0.1909 -0.0063 0.0020 0.0051 292 ARG A NE 1643 C CZ . ARG A 211 ? 0.1870 0.1793 0.1923 -0.0076 0.0035 0.0049 292 ARG A CZ 1644 N NH1 . ARG A 211 ? 0.1810 0.1785 0.1916 -0.0065 0.0027 0.0047 292 ARG A NH1 1645 N NH2 . ARG A 211 ? 0.1878 0.1793 0.1935 -0.0100 0.0058 0.0048 292 ARG A NH2 1646 N N . ASP A 212 ? 0.2169 0.1841 0.1912 0.0012 -0.0058 0.0055 293 ASP A N 1647 C CA . ASP A 212 ? 0.2257 0.1863 0.1932 -0.0002 -0.0049 0.0058 293 ASP A CA 1648 C C . ASP A 212 ? 0.2264 0.1871 0.1955 -0.0037 -0.0017 0.0060 293 ASP A C 1649 O O . ASP A 212 ? 0.2274 0.1871 0.1967 -0.0052 -0.0010 0.0062 293 ASP A O 1650 C CB . ASP A 212 ? 0.2330 0.1858 0.1923 0.0010 -0.0066 0.0060 293 ASP A CB 1651 C CG . ASP A 212 ? 0.2434 0.1884 0.1946 -0.0003 -0.0057 0.0063 293 ASP A CG 1652 O OD1 . ASP A 212 ? 0.2403 0.1847 0.1916 -0.0033 -0.0027 0.0064 293 ASP A OD1 1653 O OD2 . ASP A 212 ? 0.2483 0.1874 0.1926 0.0018 -0.0079 0.0063 293 ASP A OD2 1654 N N . ASN A 213 ? 0.2311 0.1933 0.2016 -0.0051 0.0001 0.0058 294 ASN A N 1655 C CA . ASN A 213 ? 0.2360 0.1995 0.2093 -0.0082 0.0034 0.0059 294 ASN A CA 1656 C C . ASN A 213 ? 0.2528 0.2090 0.2189 -0.0104 0.0054 0.0062 294 ASN A C 1657 O O . ASN A 213 ? 0.2546 0.2116 0.2227 -0.0132 0.0085 0.0061 294 ASN A O 1658 C CB . ASN A 213 ? 0.2304 0.1999 0.2097 -0.0083 0.0045 0.0055 294 ASN A CB 1659 C CG . ASN A 213 ? 0.2250 0.1997 0.2112 -0.0104 0.0067 0.0053 294 ASN A CG 1660 O OD1 . ASN A 213 ? 0.2194 0.1974 0.2098 -0.0103 0.0059 0.0053 294 ASN A OD1 1661 N ND2 . ASN A 213 ? 0.2269 0.2024 0.2145 -0.0121 0.0095 0.0051 294 ASN A ND2 1662 N N . TRP A 214 ? 0.2629 0.2119 0.2207 -0.0091 0.0038 0.0064 295 TRP A N 1663 C CA . TRP A 214 ? 0.2790 0.2200 0.2286 -0.0109 0.0056 0.0067 295 TRP A CA 1664 C C . TRP A 214 ? 0.2871 0.2210 0.2302 -0.0119 0.0055 0.0072 295 TRP A C 1665 O O . TRP A 214 ? 0.2892 0.2214 0.2320 -0.0152 0.0083 0.0074 295 TRP A O 1666 C CB . TRP A 214 ? 0.2864 0.2236 0.2304 -0.0086 0.0039 0.0066 295 TRP A CB 1667 C CG . TRP A 214 ? 0.3007 0.2286 0.2348 -0.0099 0.0053 0.0069 295 TRP A CG 1668 C CD1 . TRP A 214 ? 0.3065 0.2303 0.2375 -0.0133 0.0090 0.0072 295 TRP A CD1 1669 C CD2 . TRP A 214 ? 0.3104 0.2315 0.2361 -0.0078 0.0030 0.0069 295 TRP A CD2 1670 N NE1 . TRP A 214 ? 0.3199 0.2343 0.2405 -0.0135 0.0094 0.0074 295 TRP A NE1 1671 C CE2 . TRP A 214 ? 0.3229 0.2353 0.2398 -0.0101 0.0056 0.0073 295 TRP A CE2 1672 C CE3 . TRP A 214 ? 0.3150 0.2366 0.2399 -0.0043 -0.0010 0.0065 295 TRP A CE3 1673 C CZ2 . TRP A 214 ? 0.3362 0.2398 0.2430 -0.0088 0.0041 0.0073 295 TRP A CZ2 1674 C CZ3 . TRP A 214 ? 0.3264 0.2398 0.2418 -0.0029 -0.0027 0.0065 295 TRP A CZ3 1675 C CH2 . TRP A 214 ? 0.3372 0.2414 0.2433 -0.0051 -0.0003 0.0070 295 TRP A CH2 1676 N N . LYS A 215 ? 0.2894 0.2192 0.2275 -0.0092 0.0022 0.0073 296 LYS A N 1677 C CA . LYS A 215 ? 0.2977 0.2194 0.2282 -0.0099 0.0018 0.0078 296 LYS A CA 1678 C C . LYS A 215 ? 0.2907 0.2138 0.2230 -0.0081 -0.0008 0.0077 296 LYS A C 1679 O O . LYS A 215 ? 0.2946 0.2110 0.2207 -0.0087 -0.0012 0.0081 296 LYS A O 1680 C CB . LYS A 215 ? 0.3157 0.2280 0.2354 -0.0084 0.0003 0.0080 296 LYS A CB 1681 C CG . LYS A 215 ? 0.3269 0.2350 0.2420 -0.0105 0.0031 0.0081 296 LYS A CG 1682 C CD . LYS A 215 ? 0.3457 0.2430 0.2488 -0.0091 0.0014 0.0084 296 LYS A CD 1683 C CE . LYS A 215 ? 0.3459 0.2447 0.2489 -0.0049 -0.0025 0.0079 296 LYS A CE 1684 N NZ . LYS A 215 ? 0.3608 0.2487 0.2517 -0.0036 -0.0042 0.0081 296 LYS A NZ 1685 N N . GLY A 216 ? 0.2764 0.2077 0.2166 -0.0060 -0.0023 0.0073 297 GLY A N 1686 C CA . GLY A 216 ? 0.2700 0.2024 0.2114 -0.0038 -0.0047 0.0073 297 GLY A CA 1687 C C . GLY A 216 ? 0.2600 0.1995 0.2097 -0.0049 -0.0040 0.0071 297 GLY A C 1688 O O . GLY A 216 ? 0.2508 0.1977 0.2081 -0.0052 -0.0030 0.0068 297 GLY A O 1689 N N . SER A 217 ? 0.2573 0.1940 0.2052 -0.0054 -0.0045 0.0073 298 SER A N 1690 C CA . SER A 217 ? 0.2496 0.1920 0.2041 -0.0054 -0.0049 0.0071 298 SER A CA 1691 C C . SER A 217 ? 0.2439 0.1871 0.1980 -0.0014 -0.0077 0.0069 298 SER A C 1692 O O . SER A 217 ? 0.2386 0.1865 0.1978 -0.0007 -0.0082 0.0067 298 SER A O 1693 C CB . SER A 217 ? 0.2537 0.1930 0.2070 -0.0086 -0.0039 0.0073 298 SER A CB 1694 O OG . SER A 217 ? 0.2640 0.1942 0.2082 -0.0084 -0.0049 0.0076 298 SER A OG 1695 N N . ASN A 218 ? 0.2469 0.1851 0.1948 0.0012 -0.0095 0.0069 299 ASN A N 1696 C CA . ASN A 218 ? 0.2431 0.1836 0.1920 0.0054 -0.0119 0.0065 299 ASN A CA 1697 C C . ASN A 218 ? 0.2366 0.1844 0.1919 0.0067 -0.0119 0.0061 299 ASN A C 1698 O O . ASN A 218 ? 0.2346 0.1826 0.1898 0.0053 -0.0109 0.0062 299 ASN A O 1699 C CB . ASN A 218 ? 0.2517 0.1841 0.1919 0.0081 -0.0141 0.0065 299 ASN A CB 1700 C CG . ASN A 218 ? 0.2581 0.1847 0.1919 0.0075 -0.0140 0.0067 299 ASN A CG 1701 O OD1 . ASN A 218 ? 0.2582 0.1848 0.1925 0.0043 -0.0118 0.0070 299 ASN A OD1 1702 N ND2 . ASN A 218 ? 0.2644 0.1855 0.1918 0.0107 -0.0165 0.0066 299 ASN A ND2 1703 N N . ARG A 219 ? 0.2277 0.1814 0.1882 0.0092 -0.0130 0.0057 300 ARG A N 1704 C CA . ARG A 219 ? 0.2222 0.1832 0.1893 0.0101 -0.0129 0.0054 300 ARG A CA 1705 C C . ARG A 219 ? 0.2300 0.1901 0.1948 0.0131 -0.0150 0.0050 300 ARG A C 1706 O O . ARG A 219 ? 0.2316 0.1893 0.1935 0.0161 -0.0170 0.0047 300 ARG A O 1707 C CB . ARG A 219 ? 0.2144 0.1822 0.1884 0.0110 -0.0128 0.0051 300 ARG A CB 1708 C CG . ARG A 219 ? 0.2093 0.1796 0.1870 0.0081 -0.0109 0.0054 300 ARG A CG 1709 C CD . ARG A 219 ? 0.2007 0.1781 0.1854 0.0089 -0.0107 0.0051 300 ARG A CD 1710 N NE . ARG A 219 ? 0.1952 0.1747 0.1833 0.0062 -0.0092 0.0053 300 ARG A NE 1711 C CZ . ARG A 219 ? 0.1909 0.1730 0.1824 0.0038 -0.0077 0.0054 300 ARG A CZ 1712 N NH1 . ARG A 219 ? 0.1909 0.1737 0.1825 0.0036 -0.0072 0.0053 300 ARG A NH1 1713 N NH2 . ARG A 219 ? 0.1892 0.1732 0.1839 0.0017 -0.0067 0.0054 300 ARG A NH2 1714 N N . PRO A 220 ? 0.2322 0.1942 0.1985 0.0124 -0.0148 0.0049 301 PRO A N 1715 C CA . PRO A 220 ? 0.2385 0.2003 0.2034 0.0153 -0.0171 0.0044 301 PRO A CA 1716 C C . PRO A 220 ? 0.2381 0.2073 0.2099 0.0179 -0.0183 0.0038 301 PRO A C 1717 O O . PRO A 220 ? 0.2351 0.2102 0.2131 0.0170 -0.0168 0.0038 301 PRO A O 1718 C CB . PRO A 220 ? 0.2388 0.2004 0.2033 0.0134 -0.0163 0.0044 301 PRO A CB 1719 C CG . PRO A 220 ? 0.2320 0.1968 0.2007 0.0101 -0.0133 0.0047 301 PRO A CG 1720 C CD . PRO A 220 ? 0.2308 0.1948 0.1997 0.0092 -0.0124 0.0051 301 PRO A CD 1721 N N . VAL A 221 ? 0.2426 0.2112 0.2129 0.0210 -0.0209 0.0033 302 VAL A N 1722 C CA . VAL A 221 ? 0.2411 0.2166 0.2179 0.0237 -0.0221 0.0026 302 VAL A CA 1723 C C . VAL A 221 ? 0.2417 0.2193 0.2199 0.0242 -0.0237 0.0021 302 VAL A C 1724 O O . VAL A 221 ? 0.2454 0.2171 0.2175 0.0245 -0.0252 0.0021 302 VAL A O 1725 C CB . VAL A 221 ? 0.2473 0.2207 0.2216 0.0274 -0.0242 0.0022 302 VAL A CB 1726 C CG1 . VAL A 221 ? 0.2455 0.2266 0.2269 0.0302 -0.0253 0.0014 302 VAL A CG1 1727 C CG2 . VAL A 221 ? 0.2543 0.2246 0.2261 0.0270 -0.0229 0.0026 302 VAL A CG2 1728 N N . VAL A 222 ? 0.2372 0.2226 0.2232 0.0241 -0.0234 0.0017 303 VAL A N 1729 C CA . VAL A 222 ? 0.2401 0.2281 0.2282 0.0249 -0.0253 0.0011 303 VAL A CA 1730 C C . VAL A 222 ? 0.2417 0.2368 0.2367 0.0276 -0.0266 0.0003 303 VAL A C 1731 O O . VAL A 222 ? 0.2347 0.2353 0.2355 0.0271 -0.0247 0.0003 303 VAL A O 1732 C CB . VAL A 222 ? 0.2370 0.2278 0.2282 0.0218 -0.0237 0.0012 303 VAL A CB 1733 C CG1 . VAL A 222 ? 0.2387 0.2318 0.2318 0.0226 -0.0260 0.0005 303 VAL A CG1 1734 C CG2 . VAL A 222 ? 0.2405 0.2250 0.2257 0.0192 -0.0219 0.0020 303 VAL A CG2 1735 N N . ASP A 223 ? 0.2485 0.2430 0.2425 0.0305 -0.0297 -0.0004 304 ASP A N 1736 C CA . ASP A 223 ? 0.2579 0.2593 0.2586 0.0332 -0.0311 -0.0013 304 ASP A CA 1737 C C . ASP A 223 ? 0.2514 0.2571 0.2565 0.0329 -0.0328 -0.0020 304 ASP A C 1738 O O . ASP A 223 ? 0.2544 0.2557 0.2548 0.0332 -0.0352 -0.0022 304 ASP A O 1739 C CB . ASP A 223 ? 0.2772 0.2753 0.2744 0.0372 -0.0336 -0.0019 304 ASP A CB 1740 C CG . ASP A 223 ? 0.2965 0.2926 0.2918 0.0382 -0.0320 -0.0015 304 ASP A CG 1741 O OD1 . ASP A 223 ? 0.3066 0.3080 0.3073 0.0373 -0.0294 -0.0013 304 ASP A OD1 1742 O OD2 . ASP A 223 ? 0.3275 0.3162 0.3153 0.0398 -0.0332 -0.0013 304 ASP A OD2 1743 N N . ILE A 224 ? 0.2402 0.2542 0.2539 0.0322 -0.0317 -0.0024 305 ILE A N 1744 C CA . ILE A 224 ? 0.2343 0.2530 0.2529 0.0312 -0.0329 -0.0030 305 ILE A CA 1745 C C . ILE A 224 ? 0.2374 0.2632 0.2632 0.0338 -0.0347 -0.0042 305 ILE A C 1746 O O . ILE A 224 ? 0.2274 0.2589 0.2589 0.0344 -0.0328 -0.0043 305 ILE A O 1747 C CB . ILE A 224 ? 0.2219 0.2446 0.2448 0.0276 -0.0298 -0.0025 305 ILE A CB 1748 C CG1 . ILE A 224 ? 0.2208 0.2372 0.2374 0.0251 -0.0277 -0.0015 305 ILE A CG1 1749 C CG2 . ILE A 224 ? 0.2205 0.2474 0.2479 0.0264 -0.0311 -0.0032 305 ILE A CG2 1750 C CD1 . ILE A 224 ? 0.2124 0.2322 0.2329 0.0221 -0.0245 -0.0010 305 ILE A CD1 1751 N N . ASN A 225 ? 0.2481 0.2736 0.2736 0.0355 -0.0385 -0.0050 306 ASN A N 1752 C CA . ASN A 225 ? 0.2583 0.2909 0.2912 0.0380 -0.0407 -0.0063 306 ASN A CA 1753 C C . ASN A 225 ? 0.2576 0.2971 0.2980 0.0354 -0.0404 -0.0067 306 ASN A C 1754 O O . ASN A 225 ? 0.2564 0.2937 0.2947 0.0338 -0.0421 -0.0068 306 ASN A O 1755 C CB . ASN A 225 ? 0.2706 0.2993 0.2994 0.0413 -0.0454 -0.0071 306 ASN A CB 1756 C CG . ASN A 225 ? 0.2744 0.3110 0.3116 0.0443 -0.0480 -0.0085 306 ASN A CG 1757 O OD1 . ASN A 225 ? 0.2765 0.3209 0.3221 0.0428 -0.0477 -0.0091 306 ASN A OD1 1758 N ND2 . ASN A 225 ? 0.2835 0.3179 0.3184 0.0484 -0.0506 -0.0091 306 ASN A ND2 1759 N N . MET A 226 ? 0.2631 0.3105 0.3118 0.0350 -0.0380 -0.0070 307 MET A N 1760 C CA . MET A 226 ? 0.2677 0.3215 0.3233 0.0322 -0.0370 -0.0073 307 MET A CA 1761 C C . MET A 226 ? 0.2902 0.3497 0.3522 0.0334 -0.0406 -0.0087 307 MET A C 1762 O O . MET A 226 ? 0.2934 0.3569 0.3600 0.0309 -0.0407 -0.0090 307 MET A O 1763 C CB . MET A 226 ? 0.2590 0.3183 0.3203 0.0310 -0.0329 -0.0069 307 MET A CB 1764 C CG . MET A 226 ? 0.2534 0.3076 0.3092 0.0296 -0.0296 -0.0056 307 MET A CG 1765 S SD . MET A 226 ? 0.2485 0.2987 0.3005 0.0254 -0.0282 -0.0047 307 MET A SD 1766 C CE . MET A 226 ? 0.2458 0.3039 0.3064 0.0227 -0.0257 -0.0048 307 MET A CE 1767 N N . GLU A 227 ? 0.3190 0.3788 0.3812 0.0373 -0.0436 -0.0096 308 GLU A N 1768 C CA . GLU A 227 ? 0.3436 0.4088 0.4120 0.0389 -0.0476 -0.0111 308 GLU A CA 1769 C C . GLU A 227 ? 0.3316 0.3912 0.3944 0.0383 -0.0516 -0.0113 308 GLU A C 1770 O O . GLU A 227 ? 0.3406 0.4041 0.4080 0.0365 -0.0533 -0.0119 308 GLU A O 1771 C CB . GLU A 227 ? 0.3796 0.4469 0.4501 0.0437 -0.0496 -0.0120 308 GLU A CB 1772 C CG . GLU A 227 ? 0.4137 0.4915 0.4953 0.0447 -0.0476 -0.0129 308 GLU A CG 1773 C CD . GLU A 227 ? 0.4379 0.5154 0.5185 0.0457 -0.0434 -0.0122 308 GLU A CD 1774 O OE1 . GLU A 227 ? 0.4570 0.5360 0.5391 0.0496 -0.0440 -0.0129 308 GLU A OE1 1775 O OE2 . GLU A 227 ? 0.4735 0.5489 0.5517 0.0426 -0.0396 -0.0110 308 GLU A OE2 1776 N N . ASP A 228 ? 0.3169 0.3671 0.3696 0.0397 -0.0531 -0.0107 309 ASP A N 1777 C CA . ASP A 228 ? 0.3131 0.3568 0.3592 0.0395 -0.0571 -0.0109 309 ASP A CA 1778 C C . ASP A 228 ? 0.2998 0.3349 0.3366 0.0364 -0.0550 -0.0095 309 ASP A C 1779 O O . ASP A 228 ? 0.2994 0.3279 0.3293 0.0362 -0.0577 -0.0096 309 ASP A O 1780 C CB . ASP A 228 ? 0.3267 0.3660 0.3681 0.0439 -0.0616 -0.0116 309 ASP A CB 1781 C CG . ASP A 228 ? 0.3368 0.3682 0.3694 0.0457 -0.0601 -0.0106 309 ASP A CG 1782 O OD1 . ASP A 228 ? 0.3271 0.3555 0.3562 0.0433 -0.0559 -0.0093 309 ASP A OD1 1783 O OD2 . ASP A 228 ? 0.3599 0.3879 0.3889 0.0496 -0.0634 -0.0112 309 ASP A OD2 1784 N N . TYR A 229 ? 0.2780 0.3132 0.3146 0.0342 -0.0502 -0.0084 310 TYR A N 1785 C CA . TYR A 229 ? 0.2706 0.2989 0.2999 0.0313 -0.0477 -0.0072 310 TYR A CA 1786 C C . TYR A 229 ? 0.2660 0.2841 0.2843 0.0326 -0.0483 -0.0065 310 TYR A C 1787 O O . TYR A 229 ? 0.2648 0.2768 0.2767 0.0302 -0.0465 -0.0056 310 TYR A O 1788 C CB . TYR A 229 ? 0.2758 0.3033 0.3046 0.0286 -0.0489 -0.0075 310 TYR A CB 1789 C CG . TYR A 229 ? 0.2775 0.3140 0.3162 0.0268 -0.0485 -0.0081 310 TYR A CG 1790 C CD1 . TYR A 229 ? 0.2773 0.3199 0.3224 0.0253 -0.0445 -0.0077 310 TYR A CD1 1791 C CD2 . TYR A 229 ? 0.2886 0.3272 0.3300 0.0264 -0.0521 -0.0092 310 TYR A CD2 1792 C CE1 . TYR A 229 ? 0.2757 0.3259 0.3293 0.0235 -0.0439 -0.0083 310 TYR A CE1 1793 C CE2 . TYR A 229 ? 0.2877 0.3342 0.3380 0.0244 -0.0516 -0.0098 310 TYR A CE2 1794 C CZ . TYR A 229 ? 0.2827 0.3349 0.3390 0.0229 -0.0474 -0.0093 310 TYR A CZ 1795 O OH . TYR A 229 ? 0.2910 0.3507 0.3557 0.0208 -0.0467 -0.0099 310 TYR A OH 1796 N N . SER A 230 ? 0.2563 0.2727 0.2726 0.0362 -0.0505 -0.0069 311 SER A N 1797 C CA . SER A 230 ? 0.2583 0.2645 0.2638 0.0373 -0.0510 -0.0062 311 SER A CA 1798 C C . SER A 230 ? 0.2502 0.2542 0.2533 0.0358 -0.0465 -0.0050 311 SER A C 1799 O O . SER A 230 ? 0.2375 0.2479 0.2473 0.0354 -0.0438 -0.0049 311 SER A O 1800 C CB . SER A 230 ? 0.2661 0.2703 0.2695 0.0419 -0.0550 -0.0070 311 SER A CB 1801 O OG . SER A 230 ? 0.2657 0.2768 0.2762 0.0442 -0.0542 -0.0075 311 SER A OG 1802 N N . ILE A 231 ? 0.2523 0.2470 0.2456 0.0349 -0.0459 -0.0041 312 ILE A N 1803 C CA . ILE A 231 ? 0.2518 0.2435 0.2421 0.0330 -0.0419 -0.0030 312 ILE A CA 1804 C C . ILE A 231 ? 0.2611 0.2443 0.2426 0.0350 -0.0428 -0.0026 312 ILE A C 1805 O O . ILE A 231 ? 0.2706 0.2469 0.2448 0.0364 -0.0457 -0.0028 312 ILE A O 1806 C CB . ILE A 231 ? 0.2491 0.2373 0.2359 0.0291 -0.0394 -0.0023 312 ILE A CB 1807 C CG1 . ILE A 231 ? 0.2427 0.2379 0.2368 0.0272 -0.0390 -0.0027 312 ILE A CG1 1808 C CG2 . ILE A 231 ? 0.2472 0.2334 0.2321 0.0271 -0.0354 -0.0012 312 ILE A CG2 1809 C CD1 . ILE A 231 ? 0.2365 0.2408 0.2402 0.0266 -0.0367 -0.0028 312 ILE A CD1 1810 N N . ASP A 232 ? 0.2588 0.2422 0.2406 0.0351 -0.0403 -0.0021 313 ASP A N 1811 C CA . ASP A 232 ? 0.2715 0.2463 0.2446 0.0362 -0.0405 -0.0015 313 ASP A CA 1812 C C . ASP A 232 ? 0.2614 0.2347 0.2333 0.0330 -0.0363 -0.0005 313 ASP A C 1813 O O . ASP A 232 ? 0.2522 0.2320 0.2309 0.0309 -0.0337 -0.0003 313 ASP A O 1814 C CB . ASP A 232 ? 0.2848 0.2611 0.2593 0.0403 -0.0425 -0.0022 313 ASP A CB 1815 C CG . ASP A 232 ? 0.3086 0.2747 0.2728 0.0421 -0.0438 -0.0018 313 ASP A CG 1816 O OD1 . ASP A 232 ? 0.3214 0.2791 0.2769 0.0408 -0.0442 -0.0013 313 ASP A OD1 1817 O OD2 . ASP A 232 ? 0.3265 0.2929 0.2911 0.0449 -0.0442 -0.0020 313 ASP A OD2 1818 N N . SER A 233 ? 0.2611 0.2256 0.2241 0.0324 -0.0357 0.0002 314 SER A N 1819 C CA . SER A 233 ? 0.2534 0.2162 0.2153 0.0294 -0.0321 0.0011 314 SER A CA 1820 C C . SER A 233 ? 0.2610 0.2147 0.2139 0.0301 -0.0322 0.0017 314 SER A C 1821 O O . SER A 233 ? 0.2649 0.2117 0.2105 0.0321 -0.0349 0.0015 314 SER A O 1822 C CB . SER A 233 ? 0.2489 0.2111 0.2103 0.0256 -0.0297 0.0016 314 SER A CB 1823 O OG . SER A 233 ? 0.2567 0.2103 0.2091 0.0250 -0.0305 0.0019 314 SER A OG 1824 N N . SER A 234 ? 0.2579 0.2115 0.2113 0.0282 -0.0296 0.0023 315 SER A N 1825 C CA . SER A 234 ? 0.2671 0.2125 0.2127 0.0284 -0.0294 0.0028 315 SER A CA 1826 C C . SER A 234 ? 0.2618 0.2083 0.2093 0.0250 -0.0259 0.0034 315 SER A C 1827 O O . SER A 234 ? 0.2540 0.2055 0.2068 0.0223 -0.0237 0.0036 315 SER A O 1828 C CB . SER A 234 ? 0.2720 0.2171 0.2170 0.0328 -0.0319 0.0022 315 SER A CB 1829 O OG . SER A 234 ? 0.2710 0.2249 0.2249 0.0337 -0.0311 0.0018 315 SER A OG 1830 N N . TYR A 235 ? 0.2643 0.2060 0.2076 0.0251 -0.0256 0.0038 316 TYR A N 1831 C CA . TYR A 235 ? 0.2588 0.2022 0.2047 0.0223 -0.0228 0.0043 316 TYR A CA 1832 C C . TYR A 235 ? 0.2581 0.2030 0.2056 0.0247 -0.0235 0.0040 316 TYR A C 1833 O O . TYR A 235 ? 0.2603 0.2019 0.2040 0.0282 -0.0258 0.0036 316 TYR A O 1834 C CB . TYR A 235 ? 0.2647 0.1999 0.2032 0.0190 -0.0212 0.0050 316 TYR A CB 1835 C CG . TYR A 235 ? 0.2623 0.1971 0.2005 0.0160 -0.0195 0.0053 316 TYR A CG 1836 C CD1 . TYR A 235 ? 0.2682 0.1983 0.2009 0.0169 -0.0210 0.0052 316 TYR A CD1 1837 C CD2 . TYR A 235 ? 0.2550 0.1938 0.1980 0.0123 -0.0165 0.0056 316 TYR A CD2 1838 C CE1 . TYR A 235 ? 0.2679 0.1973 0.1997 0.0143 -0.0193 0.0054 316 TYR A CE1 1839 C CE2 . TYR A 235 ? 0.2554 0.1939 0.1981 0.0098 -0.0148 0.0058 316 TYR A CE2 1840 C CZ . TYR A 235 ? 0.2633 0.1970 0.2003 0.0107 -0.0161 0.0057 316 TYR A CZ 1841 O OH . TYR A 235 ? 0.2646 0.1973 0.2005 0.0083 -0.0142 0.0058 316 TYR A OH 1842 N N . VAL A 236 ? 0.2487 0.1983 0.2016 0.0229 -0.0215 0.0042 317 VAL A N 1843 C CA . VAL A 236 ? 0.2514 0.2016 0.2050 0.0248 -0.0217 0.0040 317 VAL A CA 1844 C C . VAL A 236 ? 0.2656 0.2061 0.2100 0.0251 -0.0226 0.0043 317 VAL A C 1845 O O . VAL A 236 ? 0.2633 0.1983 0.2030 0.0219 -0.0215 0.0049 317 VAL A O 1846 C CB . VAL A 236 ? 0.2444 0.1999 0.2040 0.0222 -0.0194 0.0043 317 VAL A CB 1847 C CG1 . VAL A 236 ? 0.2456 0.1999 0.2043 0.0237 -0.0196 0.0041 317 VAL A CG1 1848 C CG2 . VAL A 236 ? 0.2355 0.2002 0.2038 0.0222 -0.0187 0.0039 317 VAL A CG2 1849 N N . CYS A 237 ? 0.2757 0.2139 0.2173 0.0290 -0.0244 0.0039 318 CYS A N 1850 C CA . CYS A 237 ? 0.2914 0.2195 0.2234 0.0300 -0.0256 0.0041 318 CYS A CA 1851 C C . CYS A 237 ? 0.2891 0.2136 0.2187 0.0270 -0.0241 0.0046 318 CYS A C 1852 O O . CYS A 237 ? 0.2936 0.2094 0.2153 0.0255 -0.0242 0.0051 318 CYS A O 1853 C CB . CYS A 237 ? 0.3056 0.2329 0.2361 0.0352 -0.0279 0.0034 318 CYS A CB 1854 S SG . CYS A 237 ? 0.3186 0.2461 0.2482 0.0392 -0.0309 0.0027 318 CYS A SG 1855 N N . SER A 238 ? 0.2802 0.2111 0.2164 0.0262 -0.0227 0.0045 319 SER A N 1856 C CA . SER A 238 ? 0.2774 0.2055 0.2120 0.0238 -0.0217 0.0049 319 SER A CA 1857 C C . SER A 238 ? 0.2818 0.2039 0.2117 0.0194 -0.0206 0.0055 319 SER A C 1858 O O . SER A 238 ? 0.2737 0.1984 0.2064 0.0165 -0.0193 0.0058 319 SER A O 1859 C CB . SER A 238 ? 0.2685 0.2051 0.2117 0.0227 -0.0201 0.0048 319 SER A CB 1860 O OG . SER A 238 ? 0.2679 0.2019 0.2097 0.0203 -0.0194 0.0050 319 SER A OG 1861 N N . GLY A 239 ? 0.2897 0.2038 0.2126 0.0188 -0.0212 0.0058 320 GLY A N 1862 C CA . GLY A 239 ? 0.2936 0.2021 0.2125 0.0143 -0.0201 0.0063 320 GLY A CA 1863 C C . GLY A 239 ? 0.2897 0.2035 0.2150 0.0107 -0.0184 0.0065 320 GLY A C 1864 O O . GLY A 239 ? 0.2941 0.2058 0.2187 0.0064 -0.0170 0.0069 320 GLY A O 1865 N N . LEU A 240 ? 0.2821 0.2024 0.2135 0.0123 -0.0185 0.0061 321 LEU A N 1866 C CA . LEU A 240 ? 0.2749 0.2016 0.2136 0.0095 -0.0171 0.0061 321 LEU A CA 1867 C C . LEU A 240 ? 0.2642 0.1988 0.2100 0.0093 -0.0159 0.0061 321 LEU A C 1868 O O . LEU A 240 ? 0.2585 0.1984 0.2082 0.0123 -0.0163 0.0057 321 LEU A O 1869 C CB . LEU A 240 ? 0.2747 0.2037 0.2155 0.0114 -0.0177 0.0058 321 LEU A CB 1870 C CG . LEU A 240 ? 0.2847 0.2054 0.2178 0.0122 -0.0191 0.0057 321 LEU A CG 1871 C CD1 . LEU A 240 ? 0.2834 0.2062 0.2181 0.0147 -0.0196 0.0053 321 LEU A CD1 1872 C CD2 . LEU A 240 ? 0.2921 0.2075 0.2220 0.0077 -0.0188 0.0061 321 LEU A CD2 1873 N N . VAL A 241 ? 0.2585 0.1936 0.2055 0.0058 -0.0144 0.0064 322 VAL A N 1874 C CA . VAL A 241 ? 0.2514 0.1923 0.2035 0.0056 -0.0134 0.0063 322 VAL A CA 1875 C C . VAL A 241 ? 0.2429 0.1922 0.2038 0.0042 -0.0121 0.0062 322 VAL A C 1876 O O . VAL A 241 ? 0.2408 0.1909 0.2038 0.0024 -0.0119 0.0062 322 VAL A O 1877 C CB . VAL A 241 ? 0.2552 0.1919 0.2036 0.0030 -0.0122 0.0067 322 VAL A CB 1878 C CG1 . VAL A 241 ? 0.2659 0.1934 0.2047 0.0045 -0.0136 0.0069 322 VAL A CG1 1879 C CG2 . VAL A 241 ? 0.2550 0.1915 0.2051 -0.0016 -0.0103 0.0069 322 VAL A CG2 1880 N N . GLY A 242 ? 0.2352 0.1905 0.2011 0.0052 -0.0116 0.0060 323 GLY A N 1881 C CA . GLY A 242 ? 0.2255 0.1886 0.1994 0.0048 -0.0108 0.0058 323 GLY A CA 1882 C C . GLY A 242 ? 0.2217 0.1886 0.2003 0.0017 -0.0090 0.0059 323 GLY A C 1883 O O . GLY A 242 ? 0.2135 0.1862 0.1983 0.0012 -0.0084 0.0058 323 GLY A O 1884 N N . ASP A 243 ? 0.2223 0.1859 0.1980 -0.0004 -0.0079 0.0061 324 ASP A N 1885 C CA . ASP A 243 ? 0.2200 0.1872 0.2002 -0.0030 -0.0059 0.0061 324 ASP A CA 1886 C C . ASP A 243 ? 0.2228 0.1900 0.2049 -0.0063 -0.0049 0.0062 324 ASP A C 1887 O O . ASP A 243 ? 0.2287 0.1918 0.2076 -0.0069 -0.0057 0.0063 324 ASP A O 1888 C CB . ASP A 243 ? 0.2236 0.1872 0.1996 -0.0037 -0.0050 0.0063 324 ASP A CB 1889 C CG . ASP A 243 ? 0.2170 0.1855 0.1978 -0.0048 -0.0033 0.0061 324 ASP A CG 1890 O OD1 . ASP A 243 ? 0.2097 0.1847 0.1974 -0.0049 -0.0029 0.0059 324 ASP A OD1 1891 O OD2 . ASP A 243 ? 0.2213 0.1868 0.1986 -0.0055 -0.0023 0.0062 324 ASP A OD2 1892 N N . THR A 244 ? 0.2217 0.1935 0.2094 -0.0084 -0.0031 0.0060 325 THR A N 1893 C CA . THR A 244 ? 0.2239 0.1965 0.2145 -0.0118 -0.0018 0.0060 325 THR A CA 1894 C C . THR A 244 ? 0.2259 0.1996 0.2180 -0.0139 0.0007 0.0059 325 THR A C 1895 O O . THR A 244 ? 0.2187 0.1971 0.2148 -0.0130 0.0014 0.0057 325 THR A O 1896 C CB . THR A 244 ? 0.2192 0.1977 0.2167 -0.0118 -0.0025 0.0057 325 THR A CB 1897 O OG1 . THR A 244 ? 0.2195 0.1968 0.2151 -0.0094 -0.0047 0.0057 325 THR A OG1 1898 C CG2 . THR A 244 ? 0.2212 0.2003 0.2217 -0.0152 -0.0017 0.0055 325 THR A CG2 1899 N N . PRO A 245 ? 0.2342 0.2035 0.2230 -0.0167 0.0023 0.0061 326 PRO A N 1900 C CA . PRO A 245 ? 0.2427 0.2062 0.2268 -0.0185 0.0018 0.0063 326 PRO A CA 1901 C C . PRO A 245 ? 0.2507 0.2067 0.2259 -0.0165 0.0001 0.0067 326 PRO A C 1902 O O . PRO A 245 ? 0.2532 0.2082 0.2256 -0.0139 -0.0004 0.0068 326 PRO A O 1903 C CB . PRO A 245 ? 0.2482 0.2102 0.2323 -0.0224 0.0048 0.0063 326 PRO A CB 1904 C CG . PRO A 245 ? 0.2476 0.2110 0.2318 -0.0217 0.0065 0.0063 326 PRO A CG 1905 C CD . PRO A 245 ? 0.2383 0.2082 0.2279 -0.0187 0.0052 0.0060 326 PRO A CD 1906 N N . ARG A 246 ? 0.2559 0.2067 0.2269 -0.0176 -0.0008 0.0068 327 ARG A N 1907 C CA . ARG A 246 ? 0.2646 0.2074 0.2266 -0.0158 -0.0025 0.0072 327 ARG A CA 1908 C C . ARG A 246 ? 0.2791 0.2159 0.2370 -0.0187 -0.0025 0.0073 327 ARG A C 1909 O O . ARG A 246 ? 0.2714 0.2114 0.2345 -0.0216 -0.0018 0.0071 327 ARG A O 1910 C CB . ARG A 246 ? 0.2566 0.2011 0.2189 -0.0117 -0.0051 0.0070 327 ARG A CB 1911 C CG . ARG A 246 ? 0.2511 0.1991 0.2180 -0.0119 -0.0062 0.0067 327 ARG A CG 1912 C CD . ARG A 246 ? 0.2487 0.1970 0.2146 -0.0079 -0.0084 0.0066 327 ARG A CD 1913 N NE . ARG A 246 ? 0.2445 0.1947 0.2134 -0.0083 -0.0094 0.0064 327 ARG A NE 1914 C CZ . ARG A 246 ? 0.2362 0.1933 0.2122 -0.0082 -0.0094 0.0061 327 ARG A CZ 1915 N NH1 . ARG A 246 ? 0.2373 0.1947 0.2146 -0.0086 -0.0106 0.0059 327 ARG A NH1 1916 N NH2 . ARG A 246 ? 0.2307 0.1939 0.2121 -0.0077 -0.0082 0.0060 327 ARG A NH2 1917 N N . ASN A 247 ? 0.2958 0.2239 0.2445 -0.0180 -0.0034 0.0077 328 ASN A N 1918 C CA . ASN A 247 ? 0.3118 0.2333 0.2556 -0.0204 -0.0039 0.0078 328 ASN A CA 1919 C C . ASN A 247 ? 0.3181 0.2409 0.2635 -0.0186 -0.0064 0.0076 328 ASN A C 1920 O O . ASN A 247 ? 0.3046 0.2317 0.2528 -0.0150 -0.0078 0.0073 328 ASN A O 1921 C CB . ASN A 247 ? 0.3251 0.2360 0.2576 -0.0197 -0.0045 0.0083 328 ASN A CB 1922 C CG . ASN A 247 ? 0.3316 0.2388 0.2606 -0.0224 -0.0018 0.0087 328 ASN A CG 1923 O OD1 . ASN A 247 ? 0.3304 0.2429 0.2655 -0.0252 0.0008 0.0085 328 ASN A OD1 1924 N ND2 . ASN A 247 ? 0.3426 0.2402 0.2613 -0.0216 -0.0023 0.0091 328 ASN A ND2 1925 N N . ASP A 248 ? 0.3380 0.2569 0.2814 -0.0213 -0.0069 0.0076 329 ASP A N 1926 C CA . ASP A 248 ? 0.3534 0.2714 0.2962 -0.0196 -0.0095 0.0073 329 ASP A CA 1927 C C . ASP A 248 ? 0.3525 0.2642 0.2871 -0.0153 -0.0114 0.0075 329 ASP A C 1928 O O . ASP A 248 ? 0.3450 0.2517 0.2736 -0.0142 -0.0111 0.0078 329 ASP A O 1929 C CB . ASP A 248 ? 0.3834 0.2978 0.3252 -0.0236 -0.0098 0.0072 329 ASP A CB 1930 C CG . ASP A 248 ? 0.4175 0.3216 0.3499 -0.0259 -0.0094 0.0077 329 ASP A CG 1931 O OD1 . ASP A 248 ? 0.4464 0.3440 0.3707 -0.0231 -0.0100 0.0080 329 ASP A OD1 1932 O OD2 . ASP A 248 ? 0.4597 0.3623 0.3930 -0.0305 -0.0084 0.0076 329 ASP A OD2 1933 N N . ASP A 249 ? 0.3486 0.2605 0.2830 -0.0126 -0.0135 0.0072 330 ASP A N 1934 C CA . ASP A 249 ? 0.3569 0.2645 0.2852 -0.0079 -0.0153 0.0071 330 ASP A CA 1935 C C . ASP A 249 ? 0.3711 0.2676 0.2886 -0.0079 -0.0161 0.0074 330 ASP A C 1936 O O . ASP A 249 ? 0.3757 0.2687 0.2880 -0.0042 -0.0171 0.0075 330 ASP A O 1937 C CB . ASP A 249 ? 0.3605 0.2700 0.2904 -0.0055 -0.0170 0.0067 330 ASP A CB 1938 C CG . ASP A 249 ? 0.3580 0.2775 0.2969 -0.0039 -0.0166 0.0065 330 ASP A CG 1939 O OD1 . ASP A 249 ? 0.3638 0.2890 0.3079 -0.0044 -0.0151 0.0065 330 ASP A OD1 1940 O OD2 . ASP A 249 ? 0.3661 0.2874 0.3065 -0.0021 -0.0176 0.0061 330 ASP A OD2 1941 N N . SER A 250 ? 0.3768 0.2679 0.2910 -0.0122 -0.0156 0.0076 331 SER A N 1942 C CA . SER A 250 ? 0.3961 0.2759 0.2995 -0.0126 -0.0163 0.0080 331 SER A CA 1943 C C . SER A 250 ? 0.3963 0.2724 0.2955 -0.0136 -0.0147 0.0084 331 SER A C 1944 O O . SER A 250 ? 0.4152 0.2816 0.3045 -0.0127 -0.0155 0.0087 331 SER A O 1945 C CB . SER A 250 ? 0.4089 0.2838 0.3101 -0.0172 -0.0164 0.0080 331 SER A CB 1946 O OG . SER A 250 ? 0.4197 0.2983 0.3263 -0.0223 -0.0140 0.0081 331 SER A OG 1947 N N . SER A 251 ? 0.3789 0.2620 0.2848 -0.0152 -0.0125 0.0085 332 SER A N 1948 C CA . SER A 251 ? 0.3805 0.2600 0.2824 -0.0165 -0.0108 0.0089 332 SER A CA 1949 C C . SER A 251 ? 0.3661 0.2522 0.2724 -0.0136 -0.0103 0.0088 332 SER A C 1950 O O . SER A 251 ? 0.3697 0.2541 0.2740 -0.0149 -0.0086 0.0091 332 SER A O 1951 C CB . SER A 251 ? 0.3860 0.2657 0.2903 -0.0225 -0.0079 0.0091 332 SER A CB 1952 O OG . SER A 251 ? 0.3824 0.2730 0.2981 -0.0240 -0.0066 0.0088 332 SER A OG 1953 N N . SER A 252 ? 0.3471 0.2400 0.2590 -0.0098 -0.0118 0.0084 333 SER A N 1954 C CA . SER A 252 ? 0.3363 0.2355 0.2526 -0.0069 -0.0117 0.0082 333 SER A CA 1955 C C . SER A 252 ? 0.3378 0.2318 0.2471 -0.0023 -0.0139 0.0082 333 SER A C 1956 O O . SER A 252 ? 0.3392 0.2279 0.2432 0.0000 -0.0158 0.0081 333 SER A O 1957 C CB . SER A 252 ? 0.3241 0.2337 0.2504 -0.0055 -0.0119 0.0078 333 SER A CB 1958 O OG . SER A 252 ? 0.3257 0.2344 0.2509 -0.0029 -0.0140 0.0075 333 SER A OG 1959 N N . ASN A 253 ? 0.3363 0.2317 0.2456 -0.0008 -0.0137 0.0082 334 ASN A N 1960 C CA . ASN A 253 ? 0.3407 0.2316 0.2439 0.0038 -0.0161 0.0080 334 ASN A CA 1961 C C . ASN A 253 ? 0.3248 0.2231 0.2337 0.0065 -0.0165 0.0076 334 ASN A C 1962 O O . ASN A 253 ? 0.3123 0.2164 0.2270 0.0043 -0.0147 0.0077 334 ASN A O 1963 C CB . ASN A 253 ? 0.3563 0.2362 0.2487 0.0027 -0.0161 0.0085 334 ASN A CB 1964 C CG . ASN A 253 ? 0.3743 0.2455 0.2597 0.0002 -0.0159 0.0089 334 ASN A CG 1965 O OD1 . ASN A 253 ? 0.3902 0.2555 0.2696 0.0029 -0.0182 0.0088 334 ASN A OD1 1966 N ND2 . ASN A 253 ? 0.3778 0.2481 0.2638 -0.0050 -0.0133 0.0093 334 ASN A ND2 1967 N N . SER A 254 ? 0.3201 0.2179 0.2272 0.0113 -0.0191 0.0072 335 SER A N 1968 C CA . SER A 254 ? 0.3136 0.2161 0.2239 0.0140 -0.0201 0.0068 335 SER A CA 1969 C C . SER A 254 ? 0.3225 0.2188 0.2256 0.0186 -0.0231 0.0066 335 SER A C 1970 O O . SER A 254 ? 0.3232 0.2165 0.2234 0.0211 -0.0246 0.0063 335 SER A O 1971 C CB . SER A 254 ? 0.3012 0.2149 0.2221 0.0155 -0.0199 0.0063 335 SER A CB 1972 O OG . SER A 254 ? 0.2927 0.2110 0.2169 0.0176 -0.0208 0.0060 335 SER A OG 1973 N N . ASN A 255 ? 0.3261 0.2205 0.2263 0.0197 -0.0242 0.0065 336 ASN A N 1974 C CA . ASN A 255 ? 0.3348 0.2240 0.2289 0.0244 -0.0275 0.0061 336 ASN A CA 1975 C C . ASN A 255 ? 0.3322 0.2298 0.2334 0.0283 -0.0294 0.0053 336 ASN A C 1976 O O . ASN A 255 ? 0.3376 0.2320 0.2349 0.0321 -0.0323 0.0048 336 ASN A O 1977 C CB . ASN A 255 ? 0.3462 0.2248 0.2296 0.0234 -0.0280 0.0066 336 ASN A CB 1978 C CG . ASN A 255 ? 0.3435 0.2248 0.2289 0.0219 -0.0271 0.0066 336 ASN A CG 1979 O OD1 . ASN A 255 ? 0.3334 0.2245 0.2283 0.0212 -0.0261 0.0063 336 ASN A OD1 1980 N ND2 . ASN A 255 ? 0.3551 0.2269 0.2308 0.0213 -0.0276 0.0070 336 ASN A ND2 1981 N N . CYS A 256 ? 0.3254 0.2335 0.2371 0.0272 -0.0278 0.0050 337 CYS A N 1982 C CA . CYS A 256 ? 0.3219 0.2391 0.2417 0.0300 -0.0291 0.0043 337 CYS A CA 1983 C C . CYS A 256 ? 0.3213 0.2395 0.2414 0.0296 -0.0297 0.0042 337 CYS A C 1984 O O . CYS A 256 ? 0.3120 0.2382 0.2394 0.0311 -0.0305 0.0036 337 CYS A O 1985 C CB . CYS A 256 ? 0.3312 0.2486 0.2506 0.0354 -0.0320 0.0035 337 CYS A CB 1986 S SG . CYS A 256 ? 0.3453 0.2590 0.2616 0.0372 -0.0320 0.0034 337 CYS A SG 1987 N N . ARG A 257 ? 0.3315 0.2413 0.2433 0.0276 -0.0295 0.0047 338 ARG A N 1988 C CA . ARG A 257 ? 0.3408 0.2493 0.2505 0.0279 -0.0307 0.0045 338 ARG A CA 1989 C C . ARG A 257 ? 0.3298 0.2372 0.2387 0.0233 -0.0277 0.0051 338 ARG A C 1990 O O . ARG A 257 ? 0.3196 0.2308 0.2316 0.0230 -0.0278 0.0049 338 ARG A O 1991 C CB . ARG A 257 ? 0.3669 0.2652 0.2659 0.0308 -0.0339 0.0045 338 ARG A CB 1992 C CG . ARG A 257 ? 0.3846 0.2831 0.2837 0.0358 -0.0370 0.0038 338 ARG A CG 1993 C CD . ARG A 257 ? 0.4103 0.2996 0.2997 0.0393 -0.0407 0.0035 338 ARG A CD 1994 N NE . ARG A 257 ? 0.4402 0.3170 0.3175 0.0370 -0.0399 0.0044 338 ARG A NE 1995 C CZ . ARG A 257 ? 0.4667 0.3352 0.3364 0.0375 -0.0401 0.0047 338 ARG A CZ 1996 N NH1 . ARG A 257 ? 0.4709 0.3419 0.3433 0.0406 -0.0412 0.0043 338 ARG A NH1 1997 N NH2 . ARG A 257 ? 0.4927 0.3499 0.3514 0.0349 -0.0391 0.0056 338 ARG A NH2 1998 N N . ASN A 258 ? 0.3248 0.2268 0.2292 0.0199 -0.0251 0.0059 339 ASN A N 1999 C CA . ASN A 258 ? 0.3233 0.2233 0.2260 0.0155 -0.0221 0.0064 339 ASN A CA 2000 C C . ASN A 258 ? 0.3078 0.2133 0.2172 0.0119 -0.0186 0.0067 339 ASN A C 2001 O O . ASN A 258 ? 0.3026 0.2099 0.2145 0.0122 -0.0186 0.0068 339 ASN A O 2002 C CB . ASN A 258 ? 0.3394 0.2268 0.2297 0.0142 -0.0218 0.0071 339 ASN A CB 2003 C CG . ASN A 258 ? 0.3553 0.2355 0.2374 0.0181 -0.0256 0.0068 339 ASN A CG 2004 O OD1 . ASN A 258 ? 0.3749 0.2463 0.2485 0.0194 -0.0270 0.0070 339 ASN A OD1 2005 N ND2 . ASN A 258 ? 0.3576 0.2411 0.2419 0.0201 -0.0275 0.0062 339 ASN A ND2 2006 N N . PRO A 259 ? 0.2979 0.2061 0.2102 0.0085 -0.0158 0.0069 340 PRO A N 2007 C CA . PRO A 259 ? 0.2923 0.2043 0.2099 0.0048 -0.0125 0.0072 340 PRO A CA 2008 C C . PRO A 259 ? 0.3023 0.2060 0.2126 0.0026 -0.0115 0.0078 340 PRO A C 2009 O O . PRO A 259 ? 0.3110 0.2052 0.2116 0.0023 -0.0118 0.0082 340 PRO A O 2010 C CB . PRO A 259 ? 0.2883 0.2028 0.2082 0.0021 -0.0098 0.0073 340 PRO A CB 2011 C CG . PRO A 259 ? 0.2977 0.2049 0.2092 0.0033 -0.0112 0.0073 340 PRO A CG 2012 C CD . PRO A 259 ? 0.2998 0.2064 0.2097 0.0079 -0.0154 0.0069 340 PRO A CD 2013 N N . ASN A 260 ? 0.2974 0.2040 0.2120 0.0009 -0.0104 0.0079 341 ASN A N 2014 C CA . ASN A 260 ? 0.3083 0.2072 0.2163 -0.0009 -0.0099 0.0084 341 ASN A CA 2015 C C . ASN A 260 ? 0.3205 0.2152 0.2256 -0.0059 -0.0064 0.0089 341 ASN A C 2016 O O . ASN A 260 ? 0.3272 0.2142 0.2256 -0.0078 -0.0059 0.0093 341 ASN A O 2017 C CB . ASN A 260 ? 0.3006 0.2035 0.2136 -0.0005 -0.0107 0.0082 341 ASN A CB 2018 C CG . ASN A 260 ? 0.2879 0.2005 0.2114 -0.0029 -0.0086 0.0080 341 ASN A CG 2019 O OD1 . ASN A 260 ? 0.2854 0.2015 0.2127 -0.0052 -0.0063 0.0080 341 ASN A OD1 2020 N ND2 . ASN A 260 ? 0.2816 0.1979 0.2094 -0.0021 -0.0094 0.0078 341 ASN A ND2 2021 N N . ASN A 261 ? 0.3227 0.2222 0.2326 -0.0079 -0.0040 0.0088 342 ASN A N 2022 C CA . ASN A 261 ? 0.3346 0.2315 0.2431 -0.0126 -0.0002 0.0091 342 ASN A CA 2023 C C . ASN A 261 ? 0.3349 0.2329 0.2466 -0.0159 0.0013 0.0093 342 ASN A C 2024 O O . ASN A 261 ? 0.3403 0.2324 0.2474 -0.0196 0.0036 0.0097 342 ASN A O 2025 C CB . ASN A 261 ? 0.3544 0.2398 0.2508 -0.0133 0.0003 0.0096 342 ASN A CB 2026 C CG . ASN A 261 ? 0.3625 0.2474 0.2566 -0.0112 -0.0003 0.0095 342 ASN A CG 2027 O OD1 . ASN A 261 ? 0.3685 0.2583 0.2674 -0.0128 0.0022 0.0093 342 ASN A OD1 2028 N ND2 . ASN A 261 ? 0.3746 0.2535 0.2614 -0.0076 -0.0036 0.0094 342 ASN A ND2 2029 N N . GLU A 262 ? 0.3279 0.2335 0.2477 -0.0147 0.0000 0.0089 343 GLU A N 2030 C CA . GLU A 262 ? 0.3325 0.2403 0.2565 -0.0176 0.0009 0.0089 343 GLU A CA 2031 C C . GLU A 262 ? 0.3293 0.2481 0.2649 -0.0186 0.0023 0.0084 343 GLU A C 2032 O O . GLU A 262 ? 0.3195 0.2447 0.2607 -0.0158 0.0005 0.0081 343 GLU A O 2033 C CB . GLU A 262 ? 0.3342 0.2402 0.2564 -0.0150 -0.0023 0.0088 343 GLU A CB 2034 C CG . GLU A 262 ? 0.3491 0.2436 0.2594 -0.0141 -0.0037 0.0092 343 GLU A CG 2035 C CD . GLU A 262 ? 0.3525 0.2453 0.2607 -0.0104 -0.0070 0.0090 343 GLU A CD 2036 O OE1 . GLU A 262 ? 0.3439 0.2443 0.2595 -0.0085 -0.0081 0.0086 343 GLU A OE1 2037 O OE2 . GLU A 262 ? 0.3643 0.2475 0.2628 -0.0093 -0.0085 0.0093 343 GLU A OE2 2038 N N . ARG A 263 ? 0.3421 0.2629 0.2811 -0.0226 0.0055 0.0084 344 ARG A N 2039 C CA . ARG A 263 ? 0.3455 0.2763 0.2952 -0.0235 0.0070 0.0080 344 ARG A CA 2040 C C . ARG A 263 ? 0.3277 0.2636 0.2806 -0.0199 0.0058 0.0077 344 ARG A C 2041 O O . ARG A 263 ? 0.3129 0.2564 0.2735 -0.0185 0.0048 0.0074 344 ARG A O 2042 C CB . ARG A 263 ? 0.3665 0.3020 0.3226 -0.0243 0.0059 0.0077 344 ARG A CB 2043 C CG . ARG A 263 ? 0.4023 0.3330 0.3557 -0.0282 0.0069 0.0079 344 ARG A CG 2044 C CD . ARG A 263 ? 0.4338 0.3718 0.3968 -0.0309 0.0078 0.0074 344 ARG A CD 2045 N NE . ARG A 263 ? 0.4616 0.4064 0.4317 -0.0320 0.0105 0.0071 344 ARG A NE 2046 C CZ . ARG A 263 ? 0.4925 0.4457 0.4724 -0.0329 0.0110 0.0065 344 ARG A CZ 2047 N NH1 . ARG A 263 ? 0.5031 0.4592 0.4872 -0.0330 0.0088 0.0062 344 ARG A NH1 2048 N NH2 . ARG A 263 ? 0.5071 0.4657 0.4924 -0.0335 0.0135 0.0062 344 ARG A NH2 2049 N N . GLY A 264 ? 0.3191 0.2503 0.2658 -0.0186 0.0059 0.0079 345 GLY A N 2050 C CA . GLY A 264 ? 0.3118 0.2464 0.2599 -0.0151 0.0041 0.0077 345 GLY A CA 2051 C C . GLY A 264 ? 0.3038 0.2461 0.2596 -0.0155 0.0059 0.0073 345 GLY A C 2052 O O . GLY A 264 ? 0.2888 0.2369 0.2496 -0.0130 0.0043 0.0070 345 GLY A O 2053 N N . THR A 265 ? 0.3069 0.2493 0.2638 -0.0187 0.0093 0.0073 346 THR A N 2054 C CA . THR A 265 ? 0.3079 0.2569 0.2714 -0.0191 0.0111 0.0068 346 THR A CA 2055 C C . THR A 265 ? 0.2931 0.2509 0.2665 -0.0186 0.0104 0.0065 346 THR A C 2056 O O . THR A 265 ? 0.2880 0.2468 0.2636 -0.0194 0.0095 0.0065 346 THR A O 2057 C CB . THR A 265 ? 0.3261 0.2736 0.2892 -0.0226 0.0153 0.0068 346 THR A CB 2058 O OG1 . THR A 265 ? 0.3460 0.2989 0.3142 -0.0222 0.0168 0.0064 346 THR A OG1 2059 C CG2 . THR A 265 ? 0.3287 0.2784 0.2964 -0.0259 0.0170 0.0068 346 THR A CG2 2060 N N . GLN A 266 ? 0.2863 0.2500 0.2650 -0.0173 0.0105 0.0061 347 GLN A N 2061 C CA . GLN A 266 ? 0.2817 0.2534 0.2690 -0.0163 0.0095 0.0057 347 GLN A CA 2062 C C . GLN A 266 ? 0.2585 0.2305 0.2453 -0.0136 0.0061 0.0059 347 GLN A C 2063 O O . GLN A 266 ? 0.2458 0.2124 0.2261 -0.0121 0.0045 0.0061 347 GLN A O 2064 C CB . GLN A 266 ? 0.3144 0.2897 0.3076 -0.0191 0.0113 0.0055 347 GLN A CB 2065 C CG . GLN A 266 ? 0.3493 0.3253 0.3441 -0.0216 0.0149 0.0053 347 GLN A CG 2066 C CD . GLN A 266 ? 0.3882 0.3681 0.3895 -0.0244 0.0165 0.0050 347 GLN A CD 2067 O OE1 . GLN A 266 ? 0.4308 0.4079 0.4304 -0.0263 0.0163 0.0051 347 GLN A OE1 2068 N NE2 . GLN A 266 ? 0.4094 0.3957 0.4180 -0.0247 0.0181 0.0044 347 GLN A NE2 2069 N N . GLY A 267 ? 0.2338 0.2119 0.2273 -0.0128 0.0051 0.0056 348 GLY A N 2070 C CA . GLY A 267 ? 0.2245 0.2035 0.2179 -0.0101 0.0024 0.0057 348 GLY A CA 2071 C C . GLY A 267 ? 0.2077 0.1937 0.2086 -0.0094 0.0019 0.0054 348 GLY A C 2072 O O . GLY A 267 ? 0.1991 0.1890 0.2052 -0.0109 0.0034 0.0051 348 GLY A O 2073 N N . VAL A 268 ? 0.1987 0.1859 0.1999 -0.0069 -0.0002 0.0054 349 VAL A N 2074 C CA . VAL A 268 ? 0.1862 0.1791 0.1932 -0.0058 -0.0008 0.0052 349 VAL A CA 2075 C C . VAL A 268 ? 0.1814 0.1749 0.1873 -0.0028 -0.0024 0.0052 349 VAL A C 2076 O O . VAL A 268 ? 0.1858 0.1755 0.1869 -0.0015 -0.0037 0.0053 349 VAL A O 2077 C CB . VAL A 268 ? 0.1828 0.1765 0.1919 -0.0065 -0.0015 0.0052 349 VAL A CB 2078 C CG1 . VAL A 268 ? 0.1858 0.1754 0.1903 -0.0050 -0.0033 0.0054 349 VAL A CG1 2079 C CG2 . VAL A 268 ? 0.1763 0.1756 0.1914 -0.0059 -0.0018 0.0050 349 VAL A CG2 2080 N N . LYS A 269 ? 0.1746 0.1730 0.1850 -0.0019 -0.0025 0.0050 350 LYS A N 2081 C CA . LYS A 269 ? 0.1713 0.1712 0.1817 0.0007 -0.0038 0.0049 350 LYS A CA 2082 C C . LYS A 269 ? 0.1719 0.1710 0.1814 0.0020 -0.0050 0.0050 350 LYS A C 2083 O O . LYS A 269 ? 0.1700 0.1702 0.1816 0.0012 -0.0049 0.0050 350 LYS A O 2084 C CB . LYS A 269 ? 0.1679 0.1730 0.1833 0.0010 -0.0034 0.0047 350 LYS A CB 2085 C CG . LYS A 269 ? 0.1666 0.1739 0.1828 0.0033 -0.0046 0.0045 350 LYS A CG 2086 C CD . LYS A 269 ? 0.1622 0.1742 0.1832 0.0033 -0.0040 0.0044 350 LYS A CD 2087 C CE . LYS A 269 ? 0.1611 0.1756 0.1835 0.0052 -0.0049 0.0042 350 LYS A CE 2088 N NZ . LYS A 269 ? 0.1651 0.1786 0.1853 0.0065 -0.0060 0.0040 350 LYS A NZ 2089 N N . GLY A 270 ? 0.1746 0.1718 0.1810 0.0042 -0.0063 0.0049 351 GLY A N 2090 C CA . GLY A 270 ? 0.1765 0.1727 0.1815 0.0059 -0.0073 0.0049 351 GLY A CA 2091 C C . GLY A 270 ? 0.1779 0.1749 0.1822 0.0088 -0.0084 0.0047 351 GLY A C 2092 O O . GLY A 270 ? 0.1730 0.1724 0.1791 0.0094 -0.0085 0.0045 351 GLY A O 2093 N N . TRP A 271 ? 0.1835 0.1785 0.1855 0.0107 -0.0093 0.0046 352 TRP A N 2094 C CA . TRP A 271 ? 0.1837 0.1803 0.1860 0.0137 -0.0101 0.0043 352 TRP A CA 2095 C C . TRP A 271 ? 0.1909 0.1829 0.1883 0.0158 -0.0112 0.0042 352 TRP A C 2096 O O . TRP A 271 ? 0.1936 0.1815 0.1876 0.0148 -0.0113 0.0045 352 TRP A O 2097 C CB . TRP A 271 ? 0.1823 0.1845 0.1898 0.0142 -0.0093 0.0041 352 TRP A CB 2098 C CG . TRP A 271 ? 0.1844 0.1854 0.1914 0.0139 -0.0089 0.0043 352 TRP A CG 2099 C CD1 . TRP A 271 ? 0.1834 0.1847 0.1918 0.0116 -0.0083 0.0046 352 TRP A CD1 2100 C CD2 . TRP A 271 ? 0.1891 0.1881 0.1936 0.0160 -0.0093 0.0042 352 TRP A CD2 2101 N NE1 . TRP A 271 ? 0.1867 0.1862 0.1935 0.0121 -0.0084 0.0047 352 TRP A NE1 2102 C CE2 . TRP A 271 ? 0.1888 0.1866 0.1929 0.0148 -0.0090 0.0044 352 TRP A CE2 2103 C CE3 . TRP A 271 ? 0.1936 0.1918 0.1961 0.0190 -0.0099 0.0038 352 TRP A CE3 2104 C CZ2 . TRP A 271 ? 0.1936 0.1887 0.1948 0.0163 -0.0092 0.0044 352 TRP A CZ2 2105 C CZ3 . TRP A 271 ? 0.1975 0.1932 0.1974 0.0206 -0.0099 0.0038 352 TRP A CZ3 2106 C CH2 . TRP A 271 ? 0.1993 0.1934 0.1983 0.0192 -0.0096 0.0040 352 TRP A CH2 2107 N N . ALA A 272 ? 0.1937 0.1867 0.1910 0.0187 -0.0122 0.0038 353 ALA A N 2108 C CA . ALA A 272 ? 0.2002 0.1898 0.1936 0.0214 -0.0131 0.0036 353 ALA A CA 2109 C C . ALA A 272 ? 0.2007 0.1945 0.1972 0.0244 -0.0136 0.0030 353 ALA A C 2110 O O . ALA A 272 ? 0.2008 0.1989 0.2013 0.0241 -0.0137 0.0028 353 ALA A O 2111 C CB . ALA A 272 ? 0.2072 0.1894 0.1935 0.0214 -0.0144 0.0037 353 ALA A CB 2112 N N . PHE A 273 ? 0.2074 0.2002 0.2023 0.0273 -0.0140 0.0026 354 PHE A N 2113 C CA . PHE A 273 ? 0.2096 0.2064 0.2076 0.0305 -0.0147 0.0019 354 PHE A CA 2114 C C . PHE A 273 ? 0.2225 0.2151 0.2158 0.0340 -0.0159 0.0015 354 PHE A C 2115 O O . PHE A 273 ? 0.2275 0.2152 0.2163 0.0341 -0.0156 0.0017 354 PHE A O 2116 C CB . PHE A 273 ? 0.2028 0.2070 0.2077 0.0305 -0.0130 0.0016 354 PHE A CB 2117 C CG . PHE A 273 ? 0.2017 0.2054 0.2061 0.0311 -0.0115 0.0017 354 PHE A CG 2118 C CD1 . PHE A 273 ? 0.2046 0.2085 0.2085 0.0344 -0.0113 0.0012 354 PHE A CD1 2119 C CD2 . PHE A 273 ? 0.2017 0.2046 0.2059 0.0283 -0.0103 0.0023 354 PHE A CD2 2120 C CE1 . PHE A 273 ? 0.2054 0.2083 0.2081 0.0350 -0.0098 0.0012 354 PHE A CE1 2121 C CE2 . PHE A 273 ? 0.2016 0.2035 0.2047 0.0289 -0.0091 0.0024 354 PHE A CE2 2122 C CZ . PHE A 273 ? 0.2045 0.2062 0.2066 0.0321 -0.0088 0.0019 354 PHE A CZ 2123 N N . ASP A 274 ? 0.2354 0.2296 0.2298 0.0368 -0.0173 0.0008 355 ASP A N 2124 C CA . ASP A 274 ? 0.2504 0.2408 0.2406 0.0407 -0.0187 0.0003 355 ASP A CA 2125 C C . ASP A 274 ? 0.2548 0.2491 0.2484 0.0433 -0.0174 -0.0003 355 ASP A C 2126 O O . ASP A 274 ? 0.2468 0.2484 0.2474 0.0429 -0.0158 -0.0005 355 ASP A O 2127 C CB . ASP A 274 ? 0.2569 0.2475 0.2471 0.0429 -0.0212 -0.0003 355 ASP A CB 2128 C CG . ASP A 274 ? 0.2567 0.2562 0.2553 0.0439 -0.0211 -0.0010 355 ASP A CG 2129 O OD1 . ASP A 274 ? 0.2566 0.2601 0.2594 0.0409 -0.0203 -0.0007 355 ASP A OD1 2130 O OD2 . ASP A 274 ? 0.2617 0.2643 0.2629 0.0475 -0.0218 -0.0019 355 ASP A OD2 2131 N N . ASN A 275 ? 0.2713 0.2605 0.2596 0.0459 -0.0177 -0.0005 356 ASN A N 2132 C CA . ASN A 275 ? 0.2830 0.2754 0.2738 0.0495 -0.0168 -0.0013 356 ASN A CA 2133 C C . ASN A 275 ? 0.2823 0.2692 0.2675 0.0536 -0.0188 -0.0018 356 ASN A C 2134 O O . ASN A 275 ? 0.2825 0.2618 0.2604 0.0541 -0.0192 -0.0016 356 ASN A O 2135 C CB . ASN A 275 ? 0.3008 0.2923 0.2907 0.0487 -0.0144 -0.0010 356 ASN A CB 2136 C CG . ASN A 275 ? 0.3204 0.3157 0.3132 0.0523 -0.0129 -0.0018 356 ASN A CG 2137 O OD1 . ASN A 275 ? 0.3500 0.3530 0.3501 0.0533 -0.0120 -0.0024 356 ASN A OD1 2138 N ND2 . ASN A 275 ? 0.3307 0.3204 0.3178 0.0542 -0.0124 -0.0019 356 ASN A ND2 2139 N N . GLY A 276 ? 0.2803 0.2709 0.2689 0.0565 -0.0205 -0.0027 357 GLY A N 2140 C CA . GLY A 276 ? 0.2885 0.2737 0.2718 0.0605 -0.0230 -0.0032 357 GLY A CA 2141 C C . GLY A 276 ? 0.2894 0.2657 0.2643 0.0585 -0.0249 -0.0025 357 GLY A C 2142 O O . GLY A 276 ? 0.2873 0.2642 0.2631 0.0556 -0.0255 -0.0020 357 GLY A O 2143 N N . ASN A 277 ? 0.2921 0.2597 0.2585 0.0600 -0.0257 -0.0023 358 ASN A N 2144 C CA . ASN A 277 ? 0.2967 0.2549 0.2544 0.0580 -0.0272 -0.0015 358 ASN A CA 2145 C C . ASN A 277 ? 0.2878 0.2434 0.2435 0.0530 -0.0254 -0.0005 358 ASN A C 2146 O O . ASN A 277 ? 0.2857 0.2350 0.2359 0.0503 -0.0262 0.0002 358 ASN A O 2147 C CB . ASN A 277 ? 0.3110 0.2603 0.2600 0.0617 -0.0289 -0.0019 358 ASN A CB 2148 C CG . ASN A 277 ? 0.3203 0.2710 0.2703 0.0668 -0.0313 -0.0029 358 ASN A CG 2149 O OD1 . ASN A 277 ? 0.3239 0.2767 0.2759 0.0669 -0.0331 -0.0031 358 ASN A OD1 2150 N ND2 . ASN A 277 ? 0.3310 0.2805 0.2795 0.0713 -0.0314 -0.0037 358 ASN A ND2 2151 N N . ASP A 278 ? 0.2779 0.2383 0.2383 0.0517 -0.0230 -0.0004 359 ASP A N 2152 C CA . ASP A 278 ? 0.2731 0.2314 0.2321 0.0474 -0.0215 0.0005 359 ASP A CA 2153 C C . ASP A 278 ? 0.2600 0.2245 0.2254 0.0436 -0.0204 0.0009 359 ASP A C 2154 O O . ASP A 278 ? 0.2502 0.2215 0.2218 0.0442 -0.0204 0.0005 359 ASP A O 2155 C CB . ASP A 278 ? 0.2775 0.2362 0.2366 0.0484 -0.0199 0.0003 359 ASP A CB 2156 C CG . ASP A 278 ? 0.2937 0.2458 0.2461 0.0523 -0.0208 -0.0002 359 ASP A CG 2157 O OD1 . ASP A 278 ? 0.2990 0.2436 0.2444 0.0529 -0.0228 -0.0001 359 ASP A OD1 2158 O OD2 . ASP A 278 ? 0.3030 0.2570 0.2567 0.0547 -0.0195 -0.0007 359 ASP A OD2 2159 N N . LEU A 279 ? 0.2536 0.2159 0.2176 0.0396 -0.0194 0.0017 360 LEU A N 2160 C CA . LEU A 279 ? 0.2453 0.2125 0.2146 0.0358 -0.0183 0.0021 360 LEU A CA 2161 C C . LEU A 279 ? 0.2385 0.2071 0.2097 0.0333 -0.0167 0.0025 360 LEU A C 2162 O O . LEU A 279 ? 0.2405 0.2032 0.2066 0.0323 -0.0168 0.0028 360 LEU A O 2163 C CB . LEU A 279 ? 0.2504 0.2127 0.2156 0.0331 -0.0192 0.0027 360 LEU A CB 2164 C CG . LEU A 279 ? 0.2468 0.2135 0.2168 0.0294 -0.0181 0.0031 360 LEU A CG 2165 C CD1 . LEU A 279 ? 0.2458 0.2174 0.2200 0.0306 -0.0187 0.0027 360 LEU A CD1 2166 C CD2 . LEU A 279 ? 0.2513 0.2121 0.2165 0.0259 -0.0181 0.0037 360 LEU A CD2 2167 N N . TRP A 280 ? 0.2260 0.2019 0.2042 0.0324 -0.0152 0.0025 361 TRP A N 2168 C CA . TRP A 280 ? 0.2202 0.1976 0.2005 0.0296 -0.0138 0.0029 361 TRP A CA 2169 C C . TRP A 280 ? 0.2152 0.1941 0.1979 0.0260 -0.0137 0.0034 361 TRP A C 2170 O O . TRP A 280 ? 0.2115 0.1942 0.1975 0.0259 -0.0137 0.0033 361 TRP A O 2171 C CB . TRP A 280 ? 0.2171 0.2010 0.2031 0.0307 -0.0122 0.0026 361 TRP A CB 2172 C CG . TRP A 280 ? 0.2210 0.2032 0.2046 0.0338 -0.0118 0.0022 361 TRP A CG 2173 C CD1 . TRP A 280 ? 0.2236 0.2082 0.2086 0.0375 -0.0116 0.0015 361 TRP A CD1 2174 C CD2 . TRP A 280 ? 0.2255 0.2034 0.2051 0.0335 -0.0114 0.0024 361 TRP A CD2 2175 N NE1 . TRP A 280 ? 0.2280 0.2099 0.2098 0.0396 -0.0108 0.0012 361 TRP A NE1 2176 C CE2 . TRP A 280 ? 0.2292 0.2066 0.2073 0.0372 -0.0108 0.0018 361 TRP A CE2 2177 C CE3 . TRP A 280 ? 0.2256 0.2000 0.2027 0.0306 -0.0116 0.0029 361 TRP A CE3 2178 C CZ2 . TRP A 280 ? 0.2365 0.2094 0.2100 0.0380 -0.0103 0.0017 361 TRP A CZ2 2179 C CZ3 . TRP A 280 ? 0.2317 0.2018 0.2045 0.0313 -0.0115 0.0028 361 TRP A CZ3 2180 C CH2 . TRP A 280 ? 0.2356 0.2046 0.2063 0.0350 -0.0108 0.0023 361 TRP A CH2 2181 N N . MET A 281 ? 0.2135 0.1894 0.1943 0.0230 -0.0135 0.0038 362 MET A N 2182 C CA . MET A 281 ? 0.2102 0.1873 0.1932 0.0196 -0.0131 0.0042 362 MET A CA 2183 C C . MET A 281 ? 0.2082 0.1855 0.1926 0.0168 -0.0125 0.0045 362 MET A C 2184 O O . MET A 281 ? 0.2085 0.1826 0.1901 0.0171 -0.0129 0.0045 362 MET A O 2185 C CB . MET A 281 ? 0.2162 0.1878 0.1941 0.0187 -0.0140 0.0044 362 MET A CB 2186 C CG . MET A 281 ? 0.2244 0.1882 0.1953 0.0185 -0.0149 0.0045 362 MET A CG 2187 S SD . MET A 281 ? 0.2343 0.1912 0.1992 0.0164 -0.0155 0.0049 362 MET A SD 2188 C CE . MET A 281 ? 0.2282 0.1876 0.1972 0.0115 -0.0140 0.0053 362 MET A CE 2189 N N . GLY A 282 ? 0.2029 0.1839 0.1917 0.0142 -0.0117 0.0047 363 GLY A N 2190 C CA . GLY A 282 ? 0.2019 0.1831 0.1923 0.0113 -0.0113 0.0049 363 GLY A CA 2191 C C . GLY A 282 ? 0.2031 0.1825 0.1929 0.0085 -0.0111 0.0052 363 GLY A C 2192 O O . GLY A 282 ? 0.2006 0.1795 0.1894 0.0086 -0.0109 0.0052 363 GLY A O 2193 N N . ARG A 283 ? 0.2038 0.1820 0.1941 0.0059 -0.0111 0.0053 364 ARG A N 2194 C CA . ARG A 283 ? 0.2039 0.1814 0.1948 0.0027 -0.0104 0.0054 364 ARG A CA 2195 C C . ARG A 283 ? 0.1998 0.1786 0.1938 0.0002 -0.0105 0.0054 364 ARG A C 2196 O O . ARG A 283 ? 0.1963 0.1748 0.1902 0.0010 -0.0114 0.0053 364 ARG A O 2197 C CB . ARG A 283 ? 0.2130 0.1838 0.1974 0.0022 -0.0109 0.0056 364 ARG A CB 2198 C CG . ARG A 283 ? 0.2207 0.1858 0.2000 0.0024 -0.0122 0.0056 364 ARG A CG 2199 C CD . ARG A 283 ? 0.2321 0.1900 0.2044 0.0019 -0.0126 0.0058 364 ARG A CD 2200 N NE . ARG A 283 ? 0.2412 0.1933 0.2087 0.0014 -0.0139 0.0058 364 ARG A NE 2201 C CZ . ARG A 283 ? 0.2530 0.1976 0.2136 0.0008 -0.0144 0.0059 364 ARG A CZ 2202 N NH1 . ARG A 283 ? 0.2569 0.1986 0.2141 0.0007 -0.0139 0.0062 364 ARG A NH1 2203 N NH2 . ARG A 283 ? 0.2622 0.2017 0.2187 0.0002 -0.0156 0.0059 364 ARG A NH2 2204 N N . THR A 284 ? 0.2029 0.1830 0.1995 -0.0026 -0.0095 0.0054 365 THR A N 2205 C CA . THR A 284 ? 0.2047 0.1859 0.2045 -0.0052 -0.0097 0.0052 365 THR A CA 2206 C C . THR A 284 ? 0.2149 0.1900 0.2095 -0.0062 -0.0110 0.0053 365 THR A C 2207 O O . THR A 284 ? 0.2184 0.1883 0.2073 -0.0058 -0.0111 0.0055 365 THR A O 2208 C CB . THR A 284 ? 0.2014 0.1854 0.2053 -0.0080 -0.0080 0.0052 365 THR A CB 2209 O OG1 . THR A 284 ? 0.2071 0.1866 0.2067 -0.0095 -0.0072 0.0054 365 THR A OG1 2210 C CG2 . THR A 284 ? 0.1970 0.1862 0.2051 -0.0070 -0.0068 0.0051 365 THR A CG2 2211 N N . ILE A 285 ? 0.2172 0.1924 0.2135 -0.0074 -0.0122 0.0051 366 ILE A N 2212 C CA . ILE A 285 ? 0.2267 0.1958 0.2181 -0.0086 -0.0136 0.0050 366 ILE A CA 2213 C C . ILE A 285 ? 0.2339 0.2012 0.2251 -0.0122 -0.0126 0.0051 366 ILE A C 2214 O O . ILE A 285 ? 0.2379 0.1989 0.2230 -0.0129 -0.0128 0.0053 366 ILE A O 2215 C CB . ILE A 285 ? 0.2263 0.1956 0.2190 -0.0088 -0.0155 0.0047 366 ILE A CB 2216 C CG1 . ILE A 285 ? 0.2243 0.1934 0.2149 -0.0052 -0.0162 0.0048 366 ILE A CG1 2217 C CG2 . ILE A 285 ? 0.2339 0.1970 0.2221 -0.0109 -0.0170 0.0046 366 ILE A CG2 2218 C CD1 . ILE A 285 ? 0.2232 0.1927 0.2149 -0.0049 -0.0180 0.0045 366 ILE A CD1 2219 N N . SER A 286 ? 0.2358 0.2083 0.2336 -0.0144 -0.0113 0.0049 367 SER A N 2220 C CA . SER A 286 ? 0.2494 0.2209 0.2477 -0.0179 -0.0097 0.0049 367 SER A CA 2221 C C . SER A 286 ? 0.2622 0.2311 0.2563 -0.0173 -0.0079 0.0053 367 SER A C 2222 O O . SER A 286 ? 0.2500 0.2214 0.2448 -0.0148 -0.0073 0.0054 367 SER A O 2223 C CB . SER A 286 ? 0.2437 0.2221 0.2506 -0.0199 -0.0085 0.0045 367 SER A CB 2224 O OG . SER A 286 ? 0.2470 0.2251 0.2548 -0.0231 -0.0063 0.0045 367 SER A OG 2225 N N . LYS A 287 ? 0.2857 0.2491 0.2751 -0.0196 -0.0072 0.0055 368 LYS A N 2226 C CA . LYS A 287 ? 0.3076 0.2673 0.2920 -0.0191 -0.0057 0.0059 368 LYS A CA 2227 C C . LYS A 287 ? 0.3090 0.2725 0.2977 -0.0212 -0.0029 0.0058 368 LYS A C 2228 O O . LYS A 287 ? 0.3004 0.2618 0.2856 -0.0205 -0.0016 0.0061 368 LYS A O 2229 C CB . LYS A 287 ? 0.3309 0.2816 0.3068 -0.0204 -0.0061 0.0062 368 LYS A CB 2230 C CG . LYS A 287 ? 0.3540 0.3029 0.3306 -0.0252 -0.0047 0.0061 368 LYS A CG 2231 C CD . LYS A 287 ? 0.3819 0.3213 0.3495 -0.0262 -0.0056 0.0065 368 LYS A CD 2232 C CE . LYS A 287 ? 0.3980 0.3358 0.3669 -0.0312 -0.0046 0.0063 368 LYS A CE 2233 N NZ . LYS A 287 ? 0.4041 0.3439 0.3757 -0.0342 -0.0012 0.0064 368 LYS A NZ 2234 N N . GLU A 288 ? 0.3190 0.2879 0.3150 -0.0236 -0.0020 0.0054 369 GLU A N 2235 C CA . GLU A 288 ? 0.3393 0.3119 0.3397 -0.0257 0.0009 0.0053 369 GLU A CA 2236 C C . GLU A 288 ? 0.3137 0.2944 0.3220 -0.0244 0.0012 0.0049 369 GLU A C 2237 O O . GLU A 288 ? 0.3139 0.2972 0.3243 -0.0245 0.0034 0.0048 369 GLU A O 2238 C CB . GLU A 288 ? 0.3840 0.3561 0.3866 -0.0301 0.0023 0.0050 369 GLU A CB 2239 C CG . GLU A 288 ? 0.4312 0.3948 0.4258 -0.0320 0.0022 0.0054 369 GLU A CG 2240 C CD . GLU A 288 ? 0.4807 0.4441 0.4781 -0.0363 0.0026 0.0051 369 GLU A CD 2241 O OE1 . GLU A 288 ? 0.5174 0.4852 0.5208 -0.0391 0.0051 0.0047 369 GLU A OE1 2242 O OE2 . GLU A 288 ? 0.5077 0.4666 0.5014 -0.0369 0.0003 0.0051 369 GLU A OE2 2243 N N . SER A 289 ? 0.2917 0.2758 0.3038 -0.0230 -0.0010 0.0046 370 SER A N 2244 C CA . SER A 289 ? 0.2758 0.2671 0.2952 -0.0218 -0.0008 0.0042 370 SER A CA 2245 C C . SER A 289 ? 0.2546 0.2470 0.2733 -0.0182 -0.0028 0.0043 370 SER A C 2246 O O . SER A 289 ? 0.2484 0.2367 0.2619 -0.0167 -0.0045 0.0046 370 SER A O 2247 C CB . SER A 289 ? 0.2848 0.2803 0.3111 -0.0240 -0.0014 0.0036 370 SER A CB 2248 O OG . SER A 289 ? 0.3052 0.2989 0.3302 -0.0235 -0.0043 0.0035 370 SER A OG 2249 N N . ARG A 290 ? 0.2349 0.2327 0.2586 -0.0169 -0.0024 0.0041 371 ARG A N 2250 C CA . ARG A 290 ? 0.2269 0.2263 0.2505 -0.0138 -0.0038 0.0042 371 ARG A CA 2251 C C . ARG A 290 ? 0.2193 0.2200 0.2453 -0.0135 -0.0060 0.0040 371 ARG A C 2252 O O . ARG A 290 ? 0.2169 0.2220 0.2478 -0.0127 -0.0064 0.0037 371 ARG A O 2253 C CB . ARG A 290 ? 0.2259 0.2298 0.2533 -0.0128 -0.0024 0.0041 371 ARG A CB 2254 C CG . ARG A 290 ? 0.2355 0.2372 0.2594 -0.0128 -0.0006 0.0043 371 ARG A CG 2255 C CD . ARG A 290 ? 0.2364 0.2421 0.2639 -0.0123 0.0010 0.0042 371 ARG A CD 2256 N NE . ARG A 290 ? 0.2461 0.2491 0.2694 -0.0121 0.0022 0.0044 371 ARG A NE 2257 C CZ . ARG A 290 ? 0.2475 0.2525 0.2720 -0.0115 0.0035 0.0043 371 ARG A CZ 2258 N NH1 . ARG A 290 ? 0.2457 0.2556 0.2758 -0.0111 0.0038 0.0039 371 ARG A NH1 2259 N NH2 . ARG A 290 ? 0.2490 0.2507 0.2689 -0.0112 0.0042 0.0045 371 ARG A NH2 2260 N N . SER A 291 ? 0.2169 0.2131 0.2390 -0.0140 -0.0075 0.0041 372 SER A N 2261 C CA . SER A 291 ? 0.2178 0.2139 0.2409 -0.0140 -0.0099 0.0038 372 SER A CA 2262 C C . SER A 291 ? 0.2110 0.2021 0.2276 -0.0119 -0.0114 0.0041 372 SER A C 2263 O O . SER A 291 ? 0.2102 0.1966 0.2213 -0.0118 -0.0111 0.0044 372 SER A O 2264 C CB . SER A 291 ? 0.2278 0.2230 0.2527 -0.0174 -0.0102 0.0035 372 SER A CB 2265 O OG . SER A 291 ? 0.2496 0.2441 0.2749 -0.0174 -0.0129 0.0032 372 SER A OG 2266 N N . GLY A 292 ? 0.2032 0.1950 0.2201 -0.0101 -0.0130 0.0040 373 GLY A N 2267 C CA . GLY A 292 ? 0.2012 0.1886 0.2123 -0.0078 -0.0143 0.0043 373 GLY A CA 2268 C C . GLY A 292 ? 0.1989 0.1864 0.2075 -0.0052 -0.0130 0.0046 373 GLY A C 2269 O O . GLY A 292 ? 0.1949 0.1847 0.2052 -0.0054 -0.0114 0.0047 373 GLY A O 2270 N N . TYR A 293 ? 0.1983 0.1831 0.2028 -0.0027 -0.0138 0.0047 374 TYR A N 2271 C CA . TYR A 293 ? 0.1974 0.1820 0.1994 -0.0001 -0.0129 0.0049 374 TYR A CA 2272 C C . TYR A 293 ? 0.2033 0.1830 0.1994 0.0021 -0.0139 0.0049 374 TYR A C 2273 O O . TYR A 293 ? 0.2079 0.1863 0.2030 0.0027 -0.0150 0.0048 374 TYR A O 2274 C CB . TYR A 293 ? 0.1907 0.1807 0.1971 0.0012 -0.0118 0.0049 374 TYR A CB 2275 C CG . TYR A 293 ? 0.1889 0.1799 0.1945 0.0028 -0.0107 0.0050 374 TYR A CG 2276 C CD1 . TYR A 293 ? 0.1883 0.1810 0.1957 0.0017 -0.0096 0.0051 374 TYR A CD1 2277 C CD2 . TYR A 293 ? 0.1910 0.1810 0.1939 0.0056 -0.0107 0.0050 374 TYR A CD2 2278 C CE1 . TYR A 293 ? 0.1884 0.1816 0.1948 0.0032 -0.0090 0.0051 374 TYR A CE1 2279 C CE2 . TYR A 293 ? 0.1889 0.1800 0.1915 0.0072 -0.0100 0.0050 374 TYR A CE2 2280 C CZ . TYR A 293 ? 0.1883 0.1810 0.1926 0.0060 -0.0093 0.0051 374 TYR A CZ 2281 O OH . TYR A 293 ? 0.1867 0.1802 0.1905 0.0076 -0.0090 0.0050 374 TYR A OH 2282 N N . GLU A 294 ? 0.2038 0.1806 0.1958 0.0034 -0.0136 0.0050 375 GLU A N 2283 C CA . GLU A 294 ? 0.2106 0.1825 0.1967 0.0058 -0.0144 0.0050 375 GLU A CA 2284 C C . GLU A 294 ? 0.2085 0.1814 0.1937 0.0087 -0.0136 0.0050 375 GLU A C 2285 O O . GLU A 294 ? 0.2048 0.1799 0.1918 0.0083 -0.0128 0.0050 375 GLU A O 2286 C CB . GLU A 294 ? 0.2200 0.1853 0.2007 0.0044 -0.0156 0.0050 375 GLU A CB 2287 C CG . GLU A 294 ? 0.2258 0.1894 0.2050 0.0032 -0.0150 0.0052 375 GLU A CG 2288 C CD . GLU A 294 ? 0.2376 0.1943 0.2114 0.0012 -0.0159 0.0052 375 GLU A CD 2289 O OE1 . GLU A 294 ? 0.2441 0.1969 0.2147 0.0010 -0.0173 0.0051 375 GLU A OE1 2290 O OE2 . GLU A 294 ? 0.2456 0.2004 0.2179 -0.0003 -0.0153 0.0054 375 GLU A OE2 2291 N N . THR A 295 ? 0.2085 0.1797 0.1907 0.0116 -0.0138 0.0048 376 THR A N 2292 C CA . THR A 295 ? 0.2101 0.1817 0.1910 0.0146 -0.0132 0.0046 376 THR A CA 2293 C C . THR A 295 ? 0.2197 0.1848 0.1937 0.0167 -0.0142 0.0045 376 THR A C 2294 O O . THR A 295 ? 0.2246 0.1855 0.1951 0.0163 -0.0151 0.0044 376 THR A O 2295 C CB . THR A 295 ? 0.2061 0.1830 0.1909 0.0167 -0.0120 0.0045 376 THR A CB 2296 O OG1 . THR A 295 ? 0.2080 0.1831 0.1910 0.0174 -0.0122 0.0044 376 THR A OG1 2297 C CG2 . THR A 295 ? 0.2022 0.1852 0.1934 0.0150 -0.0111 0.0046 376 THR A CG2 2298 N N . PHE A 296 ? 0.2258 0.1897 0.1977 0.0190 -0.0143 0.0043 377 PHE A N 2299 C CA . PHE A 296 ? 0.2348 0.1926 0.2000 0.0216 -0.0152 0.0041 377 PHE A CA 2300 C C . PHE A 296 ? 0.2400 0.1990 0.2051 0.0248 -0.0151 0.0038 377 PHE A C 2301 O O . PHE A 296 ? 0.2278 0.1915 0.1973 0.0244 -0.0147 0.0038 377 PHE A O 2302 C CB . PHE A 296 ? 0.2408 0.1911 0.2000 0.0196 -0.0166 0.0043 377 PHE A CB 2303 C CG . PHE A 296 ? 0.2406 0.1906 0.2005 0.0167 -0.0166 0.0046 377 PHE A CG 2304 C CD1 . PHE A 296 ? 0.2436 0.1919 0.2011 0.0180 -0.0168 0.0046 377 PHE A CD1 2305 C CD2 . PHE A 296 ? 0.2398 0.1910 0.2025 0.0127 -0.0164 0.0049 377 PHE A CD2 2306 C CE1 . PHE A 296 ? 0.2437 0.1911 0.2011 0.0153 -0.0167 0.0049 377 PHE A CE1 2307 C CE2 . PHE A 296 ? 0.2413 0.1922 0.2046 0.0101 -0.0160 0.0052 377 PHE A CE2 2308 C CZ . PHE A 296 ? 0.2432 0.1919 0.2035 0.0113 -0.0160 0.0052 377 PHE A CZ 2309 N N . LYS A 297 ? 0.2499 0.2047 0.2101 0.0281 -0.0157 0.0034 378 LYS A N 2310 C CA . LYS A 297 ? 0.2604 0.2152 0.2196 0.0314 -0.0162 0.0030 378 LYS A CA 2311 C C . LYS A 297 ? 0.2645 0.2112 0.2164 0.0311 -0.0178 0.0032 378 LYS A C 2312 O O . LYS A 297 ? 0.2674 0.2074 0.2133 0.0305 -0.0185 0.0033 378 LYS A O 2313 C CB . LYS A 297 ? 0.2787 0.2341 0.2372 0.0356 -0.0156 0.0024 378 LYS A CB 2314 C CG . LYS A 297 ? 0.2970 0.2536 0.2558 0.0394 -0.0162 0.0018 378 LYS A CG 2315 C CD . LYS A 297 ? 0.3198 0.2746 0.2758 0.0437 -0.0159 0.0011 378 LYS A CD 2316 C CE . LYS A 297 ? 0.3311 0.2932 0.2934 0.0452 -0.0137 0.0007 378 LYS A CE 2317 N NZ . LYS A 297 ? 0.3518 0.3127 0.3119 0.0498 -0.0132 -0.0001 378 LYS A NZ 2318 N N . VAL A 298 ? 0.2605 0.2075 0.2124 0.0315 -0.0185 0.0032 379 VAL A N 2319 C CA . VAL A 298 ? 0.2677 0.2065 0.2119 0.0318 -0.0200 0.0033 379 VAL A CA 2320 C C . VAL A 298 ? 0.2706 0.2079 0.2123 0.0368 -0.0211 0.0026 379 VAL A C 2321 O O . VAL A 298 ? 0.2632 0.2063 0.2096 0.0389 -0.0211 0.0022 379 VAL A O 2322 C CB . VAL A 298 ? 0.2676 0.2063 0.2123 0.0290 -0.0202 0.0037 379 VAL A CB 2323 C CG1 . VAL A 298 ? 0.2783 0.2075 0.2140 0.0292 -0.0217 0.0039 379 VAL A CG1 2324 C CG2 . VAL A 298 ? 0.2636 0.2048 0.2120 0.0243 -0.0189 0.0042 379 VAL A CG2 2325 N N . ILE A 299 ? 0.2835 0.2132 0.2178 0.0387 -0.0221 0.0025 380 ILE A N 2326 C CA . ILE A 299 ? 0.2931 0.2203 0.2240 0.0438 -0.0232 0.0018 380 ILE A CA 2327 C C . ILE A 299 ? 0.2981 0.2223 0.2260 0.0444 -0.0249 0.0018 380 ILE A C 2328 O O . ILE A 299 ? 0.3024 0.2196 0.2243 0.0418 -0.0256 0.0024 380 ILE A O 2329 C CB . ILE A 299 ? 0.3070 0.2253 0.2294 0.0455 -0.0240 0.0016 380 ILE A CB 2330 C CG1 . ILE A 299 ? 0.3100 0.2297 0.2339 0.0445 -0.0226 0.0016 380 ILE A CG1 2331 C CG2 . ILE A 299 ? 0.3127 0.2287 0.2320 0.0512 -0.0251 0.0008 380 ILE A CG2 2332 C CD1 . ILE A 299 ? 0.3081 0.2368 0.2397 0.0467 -0.0208 0.0011 380 ILE A CD1 2333 N N . GLY A 300 ? 0.2957 0.2252 0.2279 0.0477 -0.0255 0.0012 381 GLY A N 2334 C CA . GLY A 300 ? 0.2980 0.2254 0.2280 0.0483 -0.0272 0.0013 381 GLY A CA 2335 C C . GLY A 300 ? 0.2935 0.2239 0.2269 0.0439 -0.0266 0.0019 381 GLY A C 2336 O O . GLY A 300 ? 0.2934 0.2205 0.2235 0.0436 -0.0279 0.0021 381 GLY A O 2337 N N . GLY A 301 ? 0.2825 0.2188 0.2220 0.0407 -0.0245 0.0022 382 GLY A N 2338 C CA . GLY A 301 ? 0.2804 0.2195 0.2232 0.0364 -0.0235 0.0028 382 GLY A CA 2339 C C . GLY A 301 ? 0.2791 0.2235 0.2264 0.0372 -0.0241 0.0026 382 GLY A C 2340 O O . GLY A 301 ? 0.2765 0.2205 0.2237 0.0342 -0.0238 0.0030 382 GLY A O 2341 N N . TRP A 302 ? 0.2855 0.2348 0.2367 0.0411 -0.0249 0.0018 383 TRP A N 2342 C CA . TRP A 302 ? 0.2918 0.2459 0.2473 0.0421 -0.0259 0.0014 383 TRP A CA 2343 C C . TRP A 302 ? 0.2996 0.2474 0.2485 0.0449 -0.0287 0.0011 383 TRP A C 2344 O O . TRP A 302 ? 0.2929 0.2403 0.2414 0.0439 -0.0297 0.0012 383 TRP A O 2345 C CB . TRP A 302 ? 0.2976 0.2611 0.2617 0.0446 -0.0254 0.0006 383 TRP A CB 2346 C CG . TRP A 302 ? 0.3105 0.2789 0.2791 0.0450 -0.0265 0.0002 383 TRP A CG 2347 C CD1 . TRP A 302 ? 0.3221 0.2922 0.2919 0.0488 -0.0288 -0.0006 383 TRP A CD1 2348 C CD2 . TRP A 302 ? 0.3223 0.2940 0.2944 0.0414 -0.0258 0.0006 383 TRP A CD2 2349 N NE1 . TRP A 302 ? 0.3278 0.3021 0.3016 0.0477 -0.0296 -0.0008 383 TRP A NE1 2350 C CE2 . TRP A 302 ? 0.3288 0.3040 0.3039 0.0432 -0.0277 0.0000 383 TRP A CE2 2351 C CE3 . TRP A 302 ? 0.3310 0.3033 0.3042 0.0371 -0.0237 0.0014 383 TRP A CE3 2352 C CZ2 . TRP A 302 ? 0.3341 0.3126 0.3124 0.0406 -0.0275 0.0002 383 TRP A CZ2 2353 C CZ3 . TRP A 302 ? 0.3364 0.3122 0.3131 0.0347 -0.0234 0.0015 383 TRP A CZ3 2354 C CH2 . TRP A 302 ? 0.3290 0.3077 0.3080 0.0364 -0.0252 0.0010 383 TRP A CH2 2355 N N . SER A 303 ? 0.3092 0.2516 0.2527 0.0483 -0.0300 0.0007 384 SER A N 2356 C CA . SER A 303 ? 0.3226 0.2595 0.2604 0.0521 -0.0330 0.0003 384 SER A CA 2357 C C . SER A 303 ? 0.3294 0.2542 0.2558 0.0511 -0.0341 0.0009 384 SER A C 2358 O O . SER A 303 ? 0.3342 0.2536 0.2551 0.0528 -0.0365 0.0008 384 SER A O 2359 C CB . SER A 303 ? 0.3311 0.2702 0.2706 0.0574 -0.0339 -0.0008 384 SER A CB 2360 O OG . SER A 303 ? 0.3360 0.2862 0.2860 0.0587 -0.0333 -0.0015 384 SER A OG 2361 N N . THR A 304 ? 0.3263 0.2464 0.2487 0.0484 -0.0325 0.0015 385 THR A N 2362 C CA . THR A 304 ? 0.3352 0.2435 0.2466 0.0475 -0.0334 0.0021 385 THR A CA 2363 C C . THR A 304 ? 0.3329 0.2382 0.2421 0.0418 -0.0318 0.0031 385 THR A C 2364 O O . THR A 304 ? 0.3198 0.2286 0.2331 0.0382 -0.0296 0.0035 385 THR A O 2365 C CB . THR A 304 ? 0.3430 0.2468 0.2505 0.0485 -0.0330 0.0020 385 THR A CB 2366 O OG1 . THR A 304 ? 0.3468 0.2528 0.2557 0.0541 -0.0343 0.0010 385 THR A OG1 2367 C CG2 . THR A 304 ? 0.3563 0.2475 0.2521 0.0471 -0.0339 0.0026 385 THR A CG2 2368 N N . PRO A 305 ? 0.3362 0.2348 0.2388 0.0411 -0.0330 0.0034 386 PRO A N 2369 C CA . PRO A 305 ? 0.3366 0.2319 0.2367 0.0358 -0.0312 0.0043 386 PRO A CA 2370 C C . PRO A 305 ? 0.3383 0.2286 0.2348 0.0324 -0.0296 0.0049 386 PRO A C 2371 O O . PRO A 305 ? 0.3418 0.2248 0.2314 0.0342 -0.0308 0.0048 386 PRO A O 2372 C CB . PRO A 305 ? 0.3484 0.2343 0.2389 0.0366 -0.0331 0.0045 386 PRO A CB 2373 C CG . PRO A 305 ? 0.3517 0.2398 0.2434 0.0422 -0.0360 0.0036 386 PRO A CG 2374 C CD . PRO A 305 ? 0.3464 0.2400 0.2434 0.0453 -0.0361 0.0030 386 PRO A CD 2375 N N . ASN A 306 ? 0.3341 0.2286 0.2355 0.0278 -0.0271 0.0054 387 ASN A N 2376 C CA . ASN A 306 ? 0.3439 0.2342 0.2426 0.0238 -0.0256 0.0059 387 ASN A CA 2377 C C . ASN A 306 ? 0.3435 0.2344 0.2431 0.0252 -0.0259 0.0056 387 ASN A C 2378 O O . ASN A 306 ? 0.3538 0.2385 0.2485 0.0229 -0.0256 0.0059 387 ASN A O 2379 C CB . ASN A 306 ? 0.3579 0.2363 0.2455 0.0221 -0.0261 0.0065 387 ASN A CB 2380 C CG . ASN A 306 ? 0.3635 0.2406 0.2512 0.0161 -0.0236 0.0071 387 ASN A CG 2381 O OD1 . ASN A 306 ? 0.3513 0.2367 0.2474 0.0136 -0.0217 0.0072 387 ASN A OD1 2382 N ND2 . ASN A 306 ? 0.3828 0.2494 0.2611 0.0138 -0.0235 0.0077 387 ASN A ND2 2383 N N . SER A 307 ? 0.3399 0.2380 0.2456 0.0288 -0.0264 0.0049 388 SER A N 2384 C CA . SER A 307 ? 0.3418 0.2408 0.2485 0.0304 -0.0264 0.0046 388 SER A CA 2385 C C . SER A 307 ? 0.3357 0.2382 0.2470 0.0260 -0.0245 0.0050 388 SER A C 2386 O O . SER A 307 ? 0.3234 0.2330 0.2419 0.0235 -0.0230 0.0051 388 SER A O 2387 C CB . SER A 307 ? 0.3396 0.2465 0.2528 0.0349 -0.0268 0.0038 388 SER A CB 2388 O OG . SER A 307 ? 0.3390 0.2546 0.2602 0.0340 -0.0259 0.0038 388 SER A OG 2389 N N . LYS A 308 ? 0.3418 0.2389 0.2487 0.0251 -0.0247 0.0050 389 LYS A N 2390 C CA . LYS A 308 ? 0.3434 0.2428 0.2539 0.0209 -0.0234 0.0053 389 LYS A CA 2391 C C . LYS A 308 ? 0.3457 0.2452 0.2564 0.0223 -0.0238 0.0049 389 LYS A C 2392 O O . LYS A 308 ? 0.3439 0.2438 0.2563 0.0190 -0.0233 0.0051 389 LYS A O 2393 C CB . LYS A 308 ? 0.3528 0.2448 0.2577 0.0164 -0.0232 0.0059 389 LYS A CB 2394 C CG . LYS A 308 ? 0.3541 0.2473 0.2603 0.0137 -0.0221 0.0063 389 LYS A CG 2395 C CD . LYS A 308 ? 0.3629 0.2495 0.2646 0.0087 -0.0213 0.0069 389 LYS A CD 2396 C CE . LYS A 308 ? 0.3660 0.2526 0.2676 0.0063 -0.0199 0.0073 389 LYS A CE 2397 N NZ . LYS A 308 ? 0.3729 0.2542 0.2712 0.0010 -0.0185 0.0078 389 LYS A NZ 2398 N N . SER A 309 ? 0.3503 0.2495 0.2595 0.0272 -0.0246 0.0044 390 SER A N 2399 C CA . SER A 309 ? 0.3612 0.2605 0.2703 0.0288 -0.0247 0.0040 390 SER A CA 2400 C C . SER A 309 ? 0.3426 0.2525 0.2614 0.0292 -0.0232 0.0038 390 SER A C 2401 O O . SER A 309 ? 0.3407 0.2566 0.2640 0.0320 -0.0228 0.0035 390 SER A O 2402 C CB . SER A 309 ? 0.3828 0.2770 0.2858 0.0341 -0.0259 0.0034 390 SER A CB 2403 O OG . SER A 309 ? 0.4143 0.3072 0.3160 0.0354 -0.0258 0.0031 390 SER A OG 2404 N N . GLN A 310 ? 0.3325 0.2446 0.2543 0.0261 -0.0225 0.0040 391 GLN A N 2405 C CA . GLN A 310 ? 0.3165 0.2376 0.2465 0.0264 -0.0212 0.0038 391 GLN A CA 2406 C C . GLN A 310 ? 0.3172 0.2371 0.2457 0.0283 -0.0211 0.0035 391 GLN A C 2407 O O . GLN A 310 ? 0.3187 0.2308 0.2401 0.0285 -0.0222 0.0034 391 GLN A O 2408 C CB . GLN A 310 ? 0.3133 0.2392 0.2493 0.0218 -0.0203 0.0043 391 GLN A CB 2409 C CG . GLN A 310 ? 0.3159 0.2373 0.2493 0.0179 -0.0209 0.0045 391 GLN A CG 2410 C CD . GLN A 310 ? 0.3098 0.2378 0.2506 0.0147 -0.0200 0.0047 391 GLN A CD 2411 O OE1 . GLN A 310 ? 0.3054 0.2365 0.2490 0.0154 -0.0199 0.0045 391 GLN A OE1 2412 N NE2 . GLN A 310 ? 0.3076 0.2375 0.2514 0.0112 -0.0195 0.0050 391 GLN A NE2 2413 N N . VAL A 311 ? 0.3062 0.2335 0.2409 0.0297 -0.0198 0.0032 392 VAL A N 2414 C CA . VAL A 311 ? 0.3079 0.2348 0.2416 0.0314 -0.0193 0.0029 392 VAL A CA 2415 C C . VAL A 311 ? 0.2942 0.2298 0.2361 0.0305 -0.0177 0.0030 392 VAL A C 2416 O O . VAL A 311 ? 0.2803 0.2223 0.2283 0.0295 -0.0170 0.0031 392 VAL A O 2417 C CB . VAL A 311 ? 0.3177 0.2424 0.2478 0.0366 -0.0192 0.0023 392 VAL A CB 2418 C CG1 . VAL A 311 ? 0.3143 0.2472 0.2511 0.0392 -0.0179 0.0020 392 VAL A CG1 2419 C CG2 . VAL A 311 ? 0.3278 0.2497 0.2547 0.0382 -0.0187 0.0019 392 VAL A CG2 2420 N N . ASN A 312 ? 0.2891 0.2244 0.2305 0.0307 -0.0173 0.0029 393 ASN A N 2421 C CA . ASN A 312 ? 0.2816 0.2240 0.2295 0.0301 -0.0157 0.0029 393 ASN A CA 2422 C C . ASN A 312 ? 0.2655 0.2123 0.2190 0.0260 -0.0158 0.0034 393 ASN A C 2423 O O . ASN A 312 ? 0.2555 0.2093 0.2155 0.0256 -0.0146 0.0035 393 ASN A O 2424 C CB . ASN A 312 ? 0.2868 0.2354 0.2392 0.0333 -0.0140 0.0026 393 ASN A CB 2425 C CG . ASN A 312 ? 0.3041 0.2494 0.2520 0.0376 -0.0135 0.0020 393 ASN A CG 2426 O OD1 . ASN A 312 ? 0.3227 0.2622 0.2648 0.0384 -0.0138 0.0019 393 ASN A OD1 2427 N ND2 . ASN A 312 ? 0.3149 0.2639 0.2654 0.0406 -0.0128 0.0016 393 ASN A ND2 2428 N N . ARG A 313 ? 0.2577 0.2002 0.2087 0.0229 -0.0173 0.0037 394 ARG A N 2429 C CA . ARG A 313 ? 0.2469 0.1933 0.2031 0.0190 -0.0174 0.0040 394 ARG A CA 2430 C C . ARG A 313 ? 0.2374 0.1872 0.1970 0.0184 -0.0170 0.0040 394 ARG A C 2431 O O . ARG A 313 ? 0.2390 0.1851 0.1947 0.0197 -0.0174 0.0038 394 ARG A O 2432 C CB . ARG A 313 ? 0.2531 0.1941 0.2060 0.0157 -0.0190 0.0042 394 ARG A CB 2433 C CG . ARG A 313 ? 0.2528 0.1980 0.2115 0.0118 -0.0190 0.0044 394 ARG A CG 2434 C CD . ARG A 313 ? 0.2608 0.2012 0.2166 0.0085 -0.0201 0.0046 394 ARG A CD 2435 N NE . ARG A 313 ? 0.2584 0.2030 0.2201 0.0047 -0.0199 0.0047 394 ARG A NE 2436 C CZ . ARG A 313 ? 0.2629 0.2081 0.2268 0.0024 -0.0210 0.0046 394 ARG A CZ 2437 N NH1 . ARG A 313 ? 0.2711 0.2122 0.2311 0.0033 -0.0225 0.0043 394 ARG A NH1 2438 N NH2 . ARG A 313 ? 0.2580 0.2076 0.2279 -0.0007 -0.0207 0.0046 394 ARG A NH2 2439 N N . GLN A 314 ? 0.2255 0.1817 0.1918 0.0166 -0.0162 0.0042 395 GLN A N 2440 C CA . GLN A 314 ? 0.2212 0.1802 0.1908 0.0154 -0.0162 0.0043 395 GLN A CA 2441 C C . GLN A 314 ? 0.2164 0.1787 0.1910 0.0118 -0.0166 0.0045 395 GLN A C 2442 O O . GLN A 314 ? 0.2091 0.1750 0.1873 0.0110 -0.0158 0.0046 395 GLN A O 2443 C CB . GLN A 314 ? 0.2175 0.1818 0.1908 0.0174 -0.0143 0.0043 395 GLN A CB 2444 C CG . GLN A 314 ? 0.2216 0.1836 0.1908 0.0210 -0.0134 0.0040 395 GLN A CG 2445 C CD . GLN A 314 ? 0.2167 0.1847 0.1904 0.0227 -0.0112 0.0039 395 GLN A CD 2446 O OE1 . GLN A 314 ? 0.2197 0.1906 0.1952 0.0246 -0.0101 0.0038 395 GLN A OE1 2447 N NE2 . GLN A 314 ? 0.2137 0.1834 0.1891 0.0220 -0.0107 0.0041 395 GLN A NE2 2448 N N . VAL A 315 ? 0.2179 0.1789 0.1928 0.0098 -0.0180 0.0044 396 VAL A N 2449 C CA . VAL A 315 ? 0.2133 0.1788 0.1943 0.0069 -0.0182 0.0045 396 VAL A CA 2450 C C . VAL A 315 ? 0.2103 0.1815 0.1962 0.0078 -0.0170 0.0046 396 VAL A C 2451 O O . VAL A 315 ? 0.2122 0.1824 0.1962 0.0094 -0.0171 0.0045 396 VAL A O 2452 C CB . VAL A 315 ? 0.2173 0.1797 0.1973 0.0045 -0.0205 0.0043 396 VAL A CB 2453 C CG1 . VAL A 315 ? 0.2145 0.1822 0.2016 0.0019 -0.0206 0.0042 396 VAL A CG1 2454 C CG2 . VAL A 315 ? 0.2222 0.1787 0.1974 0.0032 -0.0216 0.0042 396 VAL A CG2 2455 N N . ILE A 316 ? 0.2046 0.1811 0.1959 0.0068 -0.0158 0.0047 397 ILE A N 2456 C CA . ILE A 316 ? 0.2008 0.1826 0.1969 0.0072 -0.0148 0.0047 397 ILE A CA 2457 C C . ILE A 316 ? 0.1980 0.1820 0.1984 0.0047 -0.0158 0.0046 397 ILE A C 2458 O O . ILE A 316 ? 0.1976 0.1828 0.1993 0.0050 -0.0163 0.0046 397 ILE A O 2459 C CB . ILE A 316 ? 0.1956 0.1819 0.1950 0.0077 -0.0129 0.0049 397 ILE A CB 2460 C CG1 . ILE A 316 ? 0.2006 0.1850 0.1964 0.0101 -0.0122 0.0049 397 ILE A CG1 2461 C CG2 . ILE A 316 ? 0.1903 0.1814 0.1940 0.0082 -0.0119 0.0049 397 ILE A CG2 2462 C CD1 . ILE A 316 ? 0.2030 0.1855 0.1955 0.0127 -0.0119 0.0048 397 ILE A CD1 2463 N N . VAL A 317 ? 0.2010 0.1855 0.2033 0.0024 -0.0162 0.0046 398 VAL A N 2464 C CA . VAL A 317 ? 0.2046 0.1914 0.2115 0.0000 -0.0172 0.0043 398 VAL A CA 2465 C C . VAL A 317 ? 0.2153 0.1985 0.2203 -0.0022 -0.0184 0.0041 398 VAL A C 2466 O O . VAL A 317 ? 0.2100 0.1916 0.2132 -0.0029 -0.0175 0.0043 398 VAL A O 2467 C CB . VAL A 317 ? 0.2002 0.1926 0.2130 -0.0011 -0.0155 0.0043 398 VAL A CB 2468 C CG1 . VAL A 317 ? 0.1990 0.1942 0.2170 -0.0034 -0.0164 0.0040 398 VAL A CG1 2469 C CG2 . VAL A 317 ? 0.1984 0.1941 0.2128 0.0009 -0.0142 0.0045 398 VAL A CG2 2470 N N . ASP A 318 ? 0.2300 0.2114 0.2350 -0.0034 -0.0206 0.0038 399 ASP A N 2471 C CA . ASP A 318 ? 0.2470 0.2249 0.2502 -0.0058 -0.0220 0.0036 399 ASP A CA 2472 C C . ASP A 318 ? 0.2433 0.2249 0.2519 -0.0087 -0.0208 0.0035 399 ASP A C 2473 O O . ASP A 318 ? 0.2289 0.2161 0.2432 -0.0088 -0.0195 0.0034 399 ASP A O 2474 C CB . ASP A 318 ? 0.2664 0.2412 0.2682 -0.0065 -0.0249 0.0032 399 ASP A CB 2475 C CG . ASP A 318 ? 0.2818 0.2614 0.2903 -0.0078 -0.0262 0.0028 399 ASP A CG 2476 O OD1 . ASP A 318 ? 0.2874 0.2720 0.3022 -0.0096 -0.0251 0.0026 399 ASP A OD1 2477 O OD2 . ASP A 318 ? 0.3204 0.2982 0.3274 -0.0069 -0.0284 0.0026 399 ASP A OD2 2478 N N . ASN A 319 ? 0.2488 0.2271 0.2554 -0.0110 -0.0211 0.0034 400 ASN A N 2479 C CA . ASN A 319 ? 0.2544 0.2354 0.2650 -0.0138 -0.0194 0.0033 400 ASN A CA 2480 C C . ASN A 319 ? 0.2543 0.2401 0.2725 -0.0163 -0.0201 0.0028 400 ASN A C 2481 O O . ASN A 319 ? 0.2565 0.2447 0.2784 -0.0189 -0.0186 0.0026 400 ASN A O 2482 C CB . ASN A 319 ? 0.2678 0.2429 0.2730 -0.0155 -0.0192 0.0035 400 ASN A CB 2483 C CG . ASN A 319 ? 0.2728 0.2496 0.2800 -0.0175 -0.0166 0.0037 400 ASN A CG 2484 O OD1 . ASN A 319 ? 0.2694 0.2501 0.2792 -0.0164 -0.0147 0.0038 400 ASN A OD1 2485 N ND2 . ASN A 319 ? 0.2873 0.2606 0.2927 -0.0206 -0.0165 0.0036 400 ASN A ND2 2486 N N . ASN A 320 ? 0.2516 0.2388 0.2719 -0.0155 -0.0224 0.0024 401 ASN A N 2487 C CA . ASN A 320 ? 0.2518 0.2445 0.2800 -0.0172 -0.0232 0.0018 401 ASN A CA 2488 C C . ASN A 320 ? 0.2354 0.2338 0.2685 -0.0154 -0.0218 0.0018 401 ASN A C 2489 O O . ASN A 320 ? 0.2228 0.2259 0.2625 -0.0161 -0.0225 0.0012 401 ASN A O 2490 C CB . ASN A 320 ? 0.2718 0.2626 0.2997 -0.0173 -0.0269 0.0013 401 ASN A CB 2491 C CG . ASN A 320 ? 0.2948 0.2801 0.3186 -0.0195 -0.0285 0.0011 401 ASN A CG 2492 O OD1 . ASN A 320 ? 0.3097 0.2950 0.3348 -0.0224 -0.0273 0.0010 401 ASN A OD1 2493 N ND2 . ASN A 320 ? 0.3181 0.2983 0.3364 -0.0183 -0.0313 0.0011 401 ASN A ND2 2494 N N . ASN A 321 ? 0.2222 0.2201 0.2522 -0.0132 -0.0200 0.0023 402 ASN A N 2495 C CA . ASN A 321 ? 0.2145 0.2169 0.2480 -0.0114 -0.0187 0.0024 402 ASN A CA 2496 C C . ASN A 321 ? 0.2065 0.2104 0.2399 -0.0111 -0.0157 0.0028 402 ASN A C 2497 O O . ASN A 321 ? 0.2015 0.2018 0.2300 -0.0111 -0.0148 0.0032 402 ASN A O 2498 C CB . ASN A 321 ? 0.2156 0.2161 0.2455 -0.0085 -0.0200 0.0027 402 ASN A CB 2499 C CG . ASN A 321 ? 0.2220 0.2221 0.2531 -0.0085 -0.0230 0.0022 402 ASN A CG 2500 O OD1 . ASN A 321 ? 0.2233 0.2272 0.2594 -0.0084 -0.0236 0.0019 402 ASN A OD1 2501 N ND2 . ASN A 321 ? 0.2291 0.2239 0.2551 -0.0085 -0.0251 0.0022 402 ASN A ND2 2502 N N . TRP A 322 ? 0.1982 0.2069 0.2365 -0.0108 -0.0143 0.0027 403 TRP A N 2503 C CA . TRP A 322 ? 0.1953 0.2057 0.2340 -0.0108 -0.0116 0.0029 403 TRP A CA 2504 C C . TRP A 322 ? 0.1870 0.1958 0.2215 -0.0082 -0.0110 0.0034 403 TRP A C 2505 O O . TRP A 322 ? 0.1863 0.1954 0.2203 -0.0064 -0.0120 0.0035 403 TRP A O 2506 C CB . TRP A 322 ? 0.1968 0.2126 0.2422 -0.0113 -0.0103 0.0025 403 TRP A CB 2507 C CG . TRP A 322 ? 0.2046 0.2226 0.2548 -0.0139 -0.0104 0.0019 403 TRP A CG 2508 C CD1 . TRP A 322 ? 0.2067 0.2282 0.2626 -0.0141 -0.0120 0.0012 403 TRP A CD1 2509 C CD2 . TRP A 322 ? 0.2130 0.2298 0.2631 -0.0166 -0.0091 0.0018 403 TRP A CD2 2510 N NE1 . TRP A 322 ? 0.2112 0.2345 0.2713 -0.0169 -0.0116 0.0007 403 TRP A NE1 2511 C CE2 . TRP A 322 ? 0.2160 0.2364 0.2725 -0.0186 -0.0096 0.0011 403 TRP A CE2 2512 C CE3 . TRP A 322 ? 0.2181 0.2310 0.2631 -0.0175 -0.0074 0.0023 403 TRP A CE3 2513 C CZ2 . TRP A 322 ? 0.2240 0.2443 0.2821 -0.0217 -0.0083 0.0008 403 TRP A CZ2 2514 C CZ3 . TRP A 322 ? 0.2264 0.2386 0.2723 -0.0205 -0.0062 0.0021 403 TRP A CZ3 2515 C CH2 . TRP A 322 ? 0.2265 0.2425 0.2790 -0.0227 -0.0065 0.0014 403 TRP A CH2 2516 N N . SER A 323 ? 0.1812 0.1883 0.2126 -0.0082 -0.0095 0.0038 404 SER A N 2517 C CA . SER A 323 ? 0.1776 0.1843 0.2062 -0.0059 -0.0088 0.0041 404 SER A CA 2518 C C . SER A 323 ? 0.1742 0.1838 0.2052 -0.0062 -0.0067 0.0041 404 SER A C 2519 O O . SER A 323 ? 0.1724 0.1857 0.2083 -0.0069 -0.0061 0.0038 404 SER A O 2520 C CB . SER A 323 ? 0.1815 0.1833 0.2039 -0.0050 -0.0092 0.0044 404 SER A CB 2521 O OG . SER A 323 ? 0.1814 0.1807 0.2017 -0.0067 -0.0085 0.0045 404 SER A OG 2522 N N . GLY A 324 ? 0.1718 0.1797 0.1995 -0.0055 -0.0058 0.0044 405 GLY A N 2523 C CA . GLY A 324 ? 0.1697 0.1797 0.1988 -0.0055 -0.0041 0.0044 405 GLY A CA 2524 C C . GLY A 324 ? 0.1680 0.1763 0.1932 -0.0036 -0.0041 0.0046 405 GLY A C 2525 O O . GLY A 324 ? 0.1758 0.1804 0.1967 -0.0029 -0.0049 0.0048 405 GLY A O 2526 N N . TYR A 325 ? 0.1635 0.1744 0.1904 -0.0028 -0.0033 0.0046 406 TYR A N 2527 C CA . TYR A 325 ? 0.1623 0.1724 0.1866 -0.0011 -0.0035 0.0047 406 TYR A CA 2528 C C . TYR A 325 ? 0.1639 0.1737 0.1869 0.0009 -0.0047 0.0048 406 TYR A C 2529 O O . TYR A 325 ? 0.1608 0.1716 0.1854 0.0011 -0.0052 0.0048 406 TYR A O 2530 C CB . TYR A 325 ? 0.1577 0.1710 0.1846 -0.0008 -0.0026 0.0046 406 TYR A CB 2531 C CG . TYR A 325 ? 0.1583 0.1708 0.1846 -0.0021 -0.0014 0.0045 406 TYR A CG 2532 C CD1 . TYR A 325 ? 0.1631 0.1731 0.1879 -0.0039 -0.0006 0.0045 406 TYR A CD1 2533 C CD2 . TYR A 325 ? 0.1583 0.1723 0.1853 -0.0017 -0.0008 0.0043 406 TYR A CD2 2534 C CE1 . TYR A 325 ? 0.1660 0.1748 0.1897 -0.0051 0.0008 0.0044 406 TYR A CE1 2535 C CE2 . TYR A 325 ? 0.1623 0.1749 0.1880 -0.0028 0.0004 0.0042 406 TYR A CE2 2536 C CZ . TYR A 325 ? 0.1655 0.1755 0.1894 -0.0044 0.0013 0.0043 406 TYR A CZ 2537 O OH . TYR A 325 ? 0.1743 0.1825 0.1964 -0.0055 0.0028 0.0042 406 TYR A OH 2538 N N A SER A 326 ? 0.1661 0.1742 0.1860 0.0025 -0.0051 0.0049 407 SER A N 2539 N N B SER A 326 ? 0.1659 0.1741 0.1858 0.0025 -0.0051 0.0049 407 SER A N 2540 C CA A SER A 326 ? 0.1668 0.1752 0.1858 0.0046 -0.0058 0.0049 407 SER A CA 2541 C CA B SER A 326 ? 0.1668 0.1750 0.1857 0.0046 -0.0058 0.0049 407 SER A CA 2542 C C A SER A 326 ? 0.1683 0.1776 0.1868 0.0062 -0.0059 0.0047 407 SER A C 2543 C C B SER A 326 ? 0.1672 0.1765 0.1857 0.0062 -0.0059 0.0047 407 SER A C 2544 O O A SER A 326 ? 0.1718 0.1797 0.1887 0.0059 -0.0059 0.0047 407 SER A O 2545 O O B SER A 326 ? 0.1694 0.1772 0.1861 0.0059 -0.0059 0.0047 407 SER A O 2546 C CB A SER A 326 ? 0.1716 0.1758 0.1866 0.0052 -0.0068 0.0050 407 SER A CB 2547 C CB B SER A 326 ? 0.1712 0.1752 0.1860 0.0051 -0.0068 0.0050 407 SER A CB 2548 O OG A SER A 326 ? 0.1728 0.1731 0.1838 0.0050 -0.0071 0.0050 407 SER A OG 2549 O OG B SER A 326 ? 0.1712 0.1752 0.1850 0.0073 -0.0072 0.0049 407 SER A OG 2550 N N . GLY A 327 ? 0.1651 0.1769 0.1851 0.0079 -0.0059 0.0046 408 GLY A N 2551 C CA . GLY A 327 ? 0.1667 0.1803 0.1873 0.0094 -0.0061 0.0044 408 GLY A CA 2552 C C . GLY A 327 ? 0.1683 0.1834 0.1895 0.0115 -0.0061 0.0042 408 GLY A C 2553 O O . GLY A 327 ? 0.1680 0.1832 0.1895 0.0116 -0.0056 0.0044 408 GLY A O 2554 N N . ILE A 328 ? 0.1697 0.1861 0.1912 0.0132 -0.0066 0.0039 409 ILE A N 2555 C CA . ILE A 328 ? 0.1719 0.1902 0.1944 0.0154 -0.0064 0.0036 409 ILE A CA 2556 C C . ILE A 328 ? 0.1655 0.1891 0.1929 0.0151 -0.0054 0.0035 409 ILE A C 2557 O O . ILE A 328 ? 0.1622 0.1878 0.1919 0.0138 -0.0054 0.0034 409 ILE A O 2558 C CB . ILE A 328 ? 0.1787 0.1956 0.1989 0.0177 -0.0077 0.0033 409 ILE A CB 2559 C CG1 . ILE A 328 ? 0.1839 0.2016 0.2041 0.0203 -0.0074 0.0029 409 ILE A CG1 2560 C CG2 . ILE A 328 ? 0.1802 0.1997 0.2027 0.0178 -0.0084 0.0029 409 ILE A CG2 2561 C CD1 . ILE A 328 ? 0.1916 0.2072 0.2091 0.0229 -0.0088 0.0025 409 ILE A CD1 2562 N N . PHE A 329 ? 0.1637 0.1893 0.1926 0.0162 -0.0044 0.0034 410 PHE A N 2563 C CA . PHE A 329 ? 0.1637 0.1943 0.1972 0.0163 -0.0034 0.0030 410 PHE A CA 2564 C C . PHE A 329 ? 0.1678 0.1998 0.2018 0.0187 -0.0028 0.0027 410 PHE A C 2565 O O . PHE A 329 ? 0.1714 0.2002 0.2019 0.0201 -0.0027 0.0027 410 PHE A O 2566 C CB . PHE A 329 ? 0.1606 0.1929 0.1964 0.0143 -0.0021 0.0034 410 PHE A CB 2567 C CG . PHE A 329 ? 0.1641 0.1941 0.1978 0.0143 -0.0011 0.0037 410 PHE A CG 2568 C CD1 . PHE A 329 ? 0.1670 0.1931 0.1975 0.0135 -0.0018 0.0041 410 PHE A CD1 2569 C CD2 . PHE A 329 ? 0.1657 0.1976 0.2007 0.0148 0.0006 0.0037 410 PHE A CD2 2570 C CE1 . PHE A 329 ? 0.1678 0.1915 0.1962 0.0135 -0.0013 0.0044 410 PHE A CE1 2571 C CE2 . PHE A 329 ? 0.1685 0.1975 0.2007 0.0148 0.0013 0.0041 410 PHE A CE2 2572 C CZ . PHE A 329 ? 0.1703 0.1953 0.1993 0.0142 0.0002 0.0044 410 PHE A CZ 2573 N N . SER A 330 ? 0.1680 0.2049 0.2064 0.0193 -0.0023 0.0022 411 SER A N 2574 C CA . SER A 330 ? 0.1736 0.2128 0.2135 0.0217 -0.0015 0.0016 411 SER A CA 2575 C C . SER A 330 ? 0.1784 0.2216 0.2222 0.0209 0.0009 0.0016 411 SER A C 2576 O O . SER A 330 ? 0.1710 0.2167 0.2178 0.0188 0.0013 0.0017 411 SER A O 2577 C CB . SER A 330 ? 0.1739 0.2156 0.2161 0.0235 -0.0032 0.0009 411 SER A CB 2578 O OG . SER A 330 ? 0.1776 0.2147 0.2152 0.0242 -0.0054 0.0010 411 SER A OG 2579 N N . VAL A 331 ? 0.1904 0.2334 0.2334 0.0226 0.0025 0.0015 412 VAL A N 2580 C CA . VAL A 331 ? 0.2005 0.2462 0.2459 0.0219 0.0052 0.0015 412 VAL A CA 2581 C C . VAL A 331 ? 0.2158 0.2652 0.2641 0.0243 0.0066 0.0007 412 VAL A C 2582 O O . VAL A 331 ? 0.2227 0.2696 0.2679 0.0269 0.0065 0.0005 412 VAL A O 2583 C CB . VAL A 331 ? 0.2025 0.2432 0.2430 0.0212 0.0063 0.0022 412 VAL A CB 2584 C CG1 . VAL A 331 ? 0.2041 0.2466 0.2460 0.0205 0.0093 0.0023 412 VAL A CG1 2585 C CG2 . VAL A 331 ? 0.2001 0.2379 0.2387 0.0189 0.0049 0.0028 412 VAL A CG2 2586 N N . GLU A 332 ? 0.2251 0.2803 0.2794 0.0236 0.0078 0.0003 413 GLU A N 2587 C CA . GLU A 332 ? 0.2407 0.3006 0.2990 0.0258 0.0094 -0.0006 413 GLU A CA 2588 C C . GLU A 332 ? 0.2532 0.3118 0.3096 0.0263 0.0128 -0.0004 413 GLU A C 2589 O O . GLU A 332 ? 0.2482 0.3066 0.3045 0.0240 0.0148 0.0001 413 GLU A O 2590 C CB . GLU A 332 ? 0.2448 0.3118 0.3108 0.0245 0.0095 -0.0012 413 GLU A CB 2591 C CG . GLU A 332 ? 0.2560 0.3289 0.3275 0.0268 0.0109 -0.0023 413 GLU A CG 2592 C CD . GLU A 332 ? 0.2679 0.3480 0.3473 0.0256 0.0103 -0.0030 413 GLU A CD 2593 O OE1 . GLU A 332 ? 0.2801 0.3603 0.3604 0.0230 0.0088 -0.0027 413 GLU A OE1 2594 O OE2 . GLU A 332 ? 0.2709 0.3568 0.3560 0.0274 0.0114 -0.0040 413 GLU A OE2 2595 N N . GLY A 333 ? 0.2657 0.3230 0.3200 0.0294 0.0133 -0.0008 414 GLY A N 2596 C CA . GLY A 333 ? 0.2858 0.3420 0.3382 0.0305 0.0167 -0.0008 414 GLY A CA 2597 C C . GLY A 333 ? 0.3017 0.3650 0.3609 0.0320 0.0189 -0.0019 414 GLY A C 2598 O O . GLY A 333 ? 0.2992 0.3684 0.3648 0.0320 0.0176 -0.0026 414 GLY A O 2599 N N . LYS A 334 ? 0.3298 0.3924 0.3874 0.0333 0.0223 -0.0020 415 LYS A N 2600 C CA . LYS A 334 ? 0.3414 0.4109 0.4057 0.0347 0.0252 -0.0031 415 LYS A CA 2601 C C . LYS A 334 ? 0.3252 0.3988 0.3937 0.0382 0.0231 -0.0042 415 LYS A C 2602 O O . LYS A 334 ? 0.3269 0.4082 0.4036 0.0382 0.0232 -0.0051 415 LYS A O 2603 C CB . LYS A 334 ? 0.3785 0.4451 0.4388 0.0359 0.0293 -0.0030 415 LYS A CB 2604 C CG . LYS A 334 ? 0.4127 0.4864 0.4799 0.0365 0.0333 -0.0039 415 LYS A CG 2605 C CD . LYS A 334 ? 0.4450 0.5149 0.5075 0.0358 0.0379 -0.0035 415 LYS A CD 2606 C CE . LYS A 334 ? 0.4648 0.5420 0.5343 0.0363 0.0425 -0.0044 415 LYS A CE 2607 N NZ . LYS A 334 ? 0.4796 0.5535 0.5452 0.0343 0.0472 -0.0038 415 LYS A NZ 2608 N N A SER A 335 ? 0.3158 0.3839 0.3783 0.0410 0.0210 -0.0042 416 SER A N 2609 N N B SER A 335 ? 0.3167 0.3848 0.3792 0.0410 0.0209 -0.0042 416 SER A N 2610 C CA A SER A 335 ? 0.3101 0.3806 0.3750 0.0448 0.0189 -0.0053 416 SER A CA 2611 C CA B SER A 335 ? 0.3117 0.3823 0.3768 0.0448 0.0189 -0.0053 416 SER A CA 2612 C C A SER A 335 ? 0.2986 0.3654 0.3604 0.0452 0.0141 -0.0051 416 SER A C 2613 C C B SER A 335 ? 0.3000 0.3665 0.3614 0.0454 0.0142 -0.0050 416 SER A C 2614 O O A SER A 335 ? 0.2972 0.3663 0.3614 0.0480 0.0119 -0.0059 416 SER A O 2615 O O B SER A 335 ? 0.2982 0.3661 0.3611 0.0485 0.0120 -0.0059 416 SER A O 2616 C CB A SER A 335 ? 0.3171 0.3841 0.3775 0.0486 0.0208 -0.0057 416 SER A CB 2617 C CB B SER A 335 ? 0.3199 0.3878 0.3812 0.0486 0.0212 -0.0058 416 SER A CB 2618 O OG A SER A 335 ? 0.3199 0.3775 0.3706 0.0488 0.0194 -0.0048 416 SER A OG 2619 O OG B SER A 335 ? 0.3227 0.3942 0.3872 0.0481 0.0259 -0.0061 416 SER A OG 2620 N N . CYS A 336 ? 0.2844 0.3455 0.3407 0.0426 0.0127 -0.0039 417 CYS A N 2621 C CA . CYS A 336 ? 0.2701 0.3269 0.3225 0.0427 0.0087 -0.0036 417 CYS A CA 2622 C C . CYS A 336 ? 0.2443 0.2992 0.2955 0.0387 0.0074 -0.0026 417 CYS A C 2623 O O . CYS A 336 ? 0.2370 0.2922 0.2886 0.0360 0.0095 -0.0020 417 CYS A O 2624 C CB . CYS A 336 ? 0.2847 0.3336 0.3287 0.0451 0.0078 -0.0034 417 CYS A CB 2625 S SG . CYS A 336 ? 0.3048 0.3466 0.3414 0.0434 0.0100 -0.0023 417 CYS A SG 2626 N N . ILE A 337 ? 0.2210 0.2736 0.2704 0.0385 0.0040 -0.0025 418 ILE A N 2627 C CA . ILE A 337 ? 0.2073 0.2576 0.2550 0.0351 0.0027 -0.0016 418 ILE A CA 2628 C C . ILE A 337 ? 0.2007 0.2429 0.2404 0.0349 0.0019 -0.0009 418 ILE A C 2629 O O . ILE A 337 ? 0.1988 0.2371 0.2344 0.0371 0.0002 -0.0010 418 ILE A O 2630 C CB . ILE A 337 ? 0.2042 0.2563 0.2543 0.0347 -0.0003 -0.0019 418 ILE A CB 2631 C CG1 . ILE A 337 ? 0.2027 0.2628 0.2610 0.0354 -0.0001 -0.0029 418 ILE A CG1 2632 C CG2 . ILE A 337 ? 0.2002 0.2501 0.2488 0.0312 -0.0011 -0.0011 418 ILE A CG2 2633 C CD1 . ILE A 337 ? 0.1985 0.2635 0.2618 0.0328 0.0028 -0.0028 418 ILE A CD1 2634 N N . ASN A 338 ? 0.1937 0.2336 0.2313 0.0323 0.0031 0.0000 419 ASN A N 2635 C CA . ASN A 338 ? 0.1939 0.2268 0.2247 0.0317 0.0023 0.0006 419 ASN A CA 2636 C C . ASN A 338 ? 0.1880 0.2189 0.2177 0.0294 0.0001 0.0011 419 ASN A C 2637 O O . ASN A 338 ? 0.1824 0.2170 0.2162 0.0275 -0.0001 0.0012 419 ASN A O 2638 C CB . ASN A 338 ? 0.1945 0.2256 0.2235 0.0304 0.0046 0.0012 419 ASN A CB 2639 C CG . ASN A 338 ? 0.1993 0.2232 0.2210 0.0308 0.0039 0.0016 419 ASN A CG 2640 O OD1 . ASN A 338 ? 0.2007 0.2209 0.2187 0.0325 0.0023 0.0014 419 ASN A OD1 2641 N ND2 . ASN A 338 ? 0.1990 0.2204 0.2185 0.0292 0.0050 0.0021 419 ASN A ND2 2642 N N . ARG A 339 ? 0.1867 0.2116 0.2107 0.0294 -0.0014 0.0015 420 ARG A N 2643 C CA . ARG A 339 ? 0.1844 0.2069 0.2069 0.0270 -0.0030 0.0020 420 ARG A CA 2644 C C . ARG A 339 ? 0.1848 0.2038 0.2045 0.0250 -0.0025 0.0027 420 ARG A C 2645 O O . ARG A 339 ? 0.1864 0.2014 0.2019 0.0259 -0.0022 0.0028 420 ARG A O 2646 C CB . ARG A 339 ? 0.1881 0.2061 0.2063 0.0282 -0.0051 0.0019 420 ARG A CB 2647 C CG . ARG A 339 ? 0.1911 0.2112 0.2107 0.0310 -0.0061 0.0012 420 ARG A CG 2648 C CD . ARG A 339 ? 0.1855 0.2115 0.2111 0.0303 -0.0064 0.0008 420 ARG A CD 2649 N NE . ARG A 339 ? 0.1903 0.2179 0.2170 0.0331 -0.0079 0.0001 420 ARG A NE 2650 C CZ . ARG A 339 ? 0.1876 0.2204 0.2195 0.0333 -0.0087 -0.0005 420 ARG A CZ 2651 N NH1 . ARG A 339 ? 0.1811 0.2179 0.2173 0.0307 -0.0079 -0.0003 420 ARG A NH1 2652 N NH2 . ARG A 339 ? 0.1904 0.2241 0.2229 0.0363 -0.0104 -0.0013 420 ARG A NH2 2653 N N . CYS A 340 ? 0.1831 0.2034 0.2048 0.0223 -0.0025 0.0031 421 CYS A N 2654 C CA . CYS A 340 ? 0.1875 0.2050 0.2073 0.0203 -0.0024 0.0036 421 CYS A CA 2655 C C . CYS A 340 ? 0.1799 0.1962 0.1996 0.0182 -0.0038 0.0038 421 CYS A C 2656 O O . CYS A 340 ? 0.1766 0.1943 0.1976 0.0182 -0.0045 0.0037 421 CYS A O 2657 C CB . CYS A 340 ? 0.1927 0.2135 0.2158 0.0190 -0.0008 0.0038 421 CYS A CB 2658 S SG . CYS A 340 ? 0.2086 0.2313 0.2324 0.0209 0.0015 0.0035 421 CYS A SG 2659 N N . PHE A 341 ? 0.1732 0.1868 0.1911 0.0165 -0.0041 0.0042 422 PHE A N 2660 C CA . PHE A 341 ? 0.1709 0.1839 0.1893 0.0144 -0.0050 0.0044 422 PHE A CA 2661 C C . PHE A 341 ? 0.1658 0.1786 0.1851 0.0125 -0.0048 0.0047 422 PHE A C 2662 O O . PHE A 341 ? 0.1666 0.1781 0.1847 0.0129 -0.0046 0.0048 422 PHE A O 2663 C CB . PHE A 341 ? 0.1750 0.1834 0.1892 0.0145 -0.0062 0.0044 422 PHE A CB 2664 C CG . PHE A 341 ? 0.1800 0.1841 0.1904 0.0145 -0.0068 0.0046 422 PHE A CG 2665 C CD1 . PHE A 341 ? 0.1840 0.1856 0.1911 0.0167 -0.0069 0.0044 422 PHE A CD1 2666 C CD2 . PHE A 341 ? 0.1818 0.1841 0.1919 0.0123 -0.0074 0.0048 422 PHE A CD2 2667 C CE1 . PHE A 341 ? 0.1889 0.1859 0.1919 0.0167 -0.0076 0.0045 422 PHE A CE1 2668 C CE2 . PHE A 341 ? 0.1866 0.1848 0.1933 0.0121 -0.0083 0.0049 422 PHE A CE2 2669 C CZ . PHE A 341 ? 0.1919 0.1871 0.1946 0.0143 -0.0084 0.0047 422 PHE A CZ 2670 N N . TYR A 342 ? 0.1631 0.1770 0.1846 0.0106 -0.0050 0.0048 423 TYR A N 2671 C CA . TYR A 342 ? 0.1580 0.1720 0.1809 0.0089 -0.0050 0.0050 423 TYR A CA 2672 C C . TYR A 342 ? 0.1578 0.1696 0.1796 0.0074 -0.0059 0.0050 423 TYR A C 2673 O O . TYR A 342 ? 0.1580 0.1687 0.1785 0.0073 -0.0060 0.0049 423 TYR A O 2674 C CB . TYR A 342 ? 0.1547 0.1726 0.1816 0.0080 -0.0042 0.0050 423 TYR A CB 2675 C CG . TYR A 342 ? 0.1514 0.1705 0.1796 0.0072 -0.0041 0.0048 423 TYR A CG 2676 C CD1 . TYR A 342 ? 0.1494 0.1679 0.1781 0.0056 -0.0043 0.0048 423 TYR A CD1 2677 C CD2 . TYR A 342 ? 0.1490 0.1699 0.1778 0.0082 -0.0039 0.0046 423 TYR A CD2 2678 C CE1 . TYR A 342 ? 0.1495 0.1683 0.1785 0.0049 -0.0040 0.0047 423 TYR A CE1 2679 C CE2 . TYR A 342 ? 0.1470 0.1683 0.1761 0.0076 -0.0040 0.0045 423 TYR A CE2 2680 C CZ . TYR A 342 ? 0.1493 0.1693 0.1782 0.0060 -0.0040 0.0046 423 TYR A CZ 2681 O OH . TYR A 342 ? 0.1518 0.1715 0.1803 0.0054 -0.0040 0.0044 423 TYR A OH 2682 N N . VAL A 343 ? 0.1546 0.1655 0.1769 0.0061 -0.0064 0.0050 424 VAL A N 2683 C CA . VAL A 343 ? 0.1549 0.1646 0.1775 0.0043 -0.0069 0.0050 424 VAL A CA 2684 C C . VAL A 343 ? 0.1471 0.1596 0.1739 0.0029 -0.0067 0.0049 424 VAL A C 2685 O O . VAL A 343 ? 0.1425 0.1557 0.1703 0.0032 -0.0071 0.0049 424 VAL A O 2686 C CB . VAL A 343 ? 0.1615 0.1672 0.1809 0.0040 -0.0082 0.0050 424 VAL A CB 2687 C CG1 . VAL A 343 ? 0.1635 0.1682 0.1836 0.0018 -0.0085 0.0049 424 VAL A CG1 2688 C CG2 . VAL A 343 ? 0.1682 0.1707 0.1830 0.0058 -0.0085 0.0050 424 VAL A CG2 2689 N N . GLU A 344 ? 0.1451 0.1591 0.1739 0.0016 -0.0059 0.0048 425 GLU A N 2690 C CA . GLU A 344 ? 0.1419 0.1584 0.1747 0.0003 -0.0056 0.0046 425 GLU A CA 2691 C C . GLU A 344 ? 0.1456 0.1610 0.1791 -0.0011 -0.0065 0.0044 425 GLU A C 2692 O O . GLU A 344 ? 0.1463 0.1593 0.1779 -0.0021 -0.0066 0.0044 425 GLU A O 2693 C CB . GLU A 344 ? 0.1408 0.1587 0.1749 -0.0005 -0.0042 0.0045 425 GLU A CB 2694 C CG . GLU A 344 ? 0.1393 0.1597 0.1774 -0.0017 -0.0035 0.0042 425 GLU A CG 2695 C CD . GLU A 344 ? 0.1400 0.1608 0.1784 -0.0027 -0.0020 0.0041 425 GLU A CD 2696 O OE1 . GLU A 344 ? 0.1419 0.1602 0.1774 -0.0033 -0.0017 0.0042 425 GLU A OE1 2697 O OE2 . GLU A 344 ? 0.1397 0.1628 0.1809 -0.0029 -0.0011 0.0038 425 GLU A OE2 2698 N N . LEU A 345 ? 0.1462 0.1630 0.1824 -0.0012 -0.0073 0.0042 426 LEU A N 2699 C CA . LEU A 345 ? 0.1495 0.1657 0.1870 -0.0024 -0.0086 0.0039 426 LEU A CA 2700 C C . LEU A 345 ? 0.1507 0.1705 0.1935 -0.0036 -0.0079 0.0035 426 LEU A C 2701 O O . LEU A 345 ? 0.1471 0.1689 0.1926 -0.0029 -0.0084 0.0033 426 LEU A O 2702 C CB . LEU A 345 ? 0.1517 0.1663 0.1878 -0.0013 -0.0104 0.0040 426 LEU A CB 2703 C CG . LEU A 345 ? 0.1552 0.1665 0.1861 0.0002 -0.0107 0.0043 426 LEU A CG 2704 C CD1 . LEU A 345 ? 0.1589 0.1683 0.1880 0.0014 -0.0122 0.0044 426 LEU A CD1 2705 C CD2 . LEU A 345 ? 0.1587 0.1667 0.1863 -0.0004 -0.0111 0.0044 426 LEU A CD2 2706 N N . ILE A 346 ? 0.1545 0.1748 0.1985 -0.0052 -0.0067 0.0033 427 ILE A N 2707 C CA . ILE A 346 ? 0.1546 0.1784 0.2035 -0.0062 -0.0054 0.0029 427 ILE A CA 2708 C C . ILE A 346 ? 0.1551 0.1806 0.2082 -0.0073 -0.0067 0.0024 427 ILE A C 2709 O O . ILE A 346 ? 0.1614 0.1855 0.2141 -0.0087 -0.0075 0.0023 427 ILE A O 2710 C CB . ILE A 346 ? 0.1558 0.1790 0.2039 -0.0077 -0.0033 0.0029 427 ILE A CB 2711 C CG1 . ILE A 346 ? 0.1574 0.1789 0.2014 -0.0066 -0.0024 0.0034 427 ILE A CG1 2712 C CG2 . ILE A 346 ? 0.1563 0.1831 0.2094 -0.0087 -0.0017 0.0024 427 ILE A CG2 2713 C CD1 . ILE A 346 ? 0.1604 0.1798 0.2019 -0.0079 -0.0008 0.0035 427 ILE A CD1 2714 N N . ARG A 347 ? 0.1554 0.1842 0.2129 -0.0067 -0.0069 0.0020 428 ARG A N 2715 C CA . ARG A 347 ? 0.1569 0.1883 0.2196 -0.0074 -0.0081 0.0013 428 ARG A CA 2716 C C . ARG A 347 ? 0.1599 0.1953 0.2279 -0.0080 -0.0062 0.0007 428 ARG A C 2717 O O . ARG A 347 ? 0.1554 0.1915 0.2230 -0.0072 -0.0044 0.0008 428 ARG A O 2718 C CB . ARG A 347 ? 0.1583 0.1894 0.2212 -0.0057 -0.0107 0.0012 428 ARG A CB 2719 C CG . ARG A 347 ? 0.1607 0.1877 0.2182 -0.0049 -0.0126 0.0017 428 ARG A CG 2720 C CD . ARG A 347 ? 0.1645 0.1894 0.2207 -0.0066 -0.0136 0.0016 428 ARG A CD 2721 N NE . ARG A 347 ? 0.1692 0.1963 0.2304 -0.0079 -0.0153 0.0009 428 ARG A NE 2722 C CZ . ARG A 347 ? 0.1727 0.1988 0.2341 -0.0073 -0.0184 0.0006 428 ARG A CZ 2723 N NH1 . ARG A 347 ? 0.1743 0.1968 0.2307 -0.0055 -0.0198 0.0010 428 ARG A NH1 2724 N NH2 . ARG A 347 ? 0.1811 0.2098 0.2479 -0.0086 -0.0200 -0.0002 428 ARG A NH2 2725 N N . GLY A 348 ? 0.1677 0.2059 0.2409 -0.0095 -0.0065 0.0000 429 GLY A N 2726 C CA . GLY A 348 ? 0.1766 0.2191 0.2556 -0.0100 -0.0045 -0.0007 429 GLY A CA 2727 C C . GLY A 348 ? 0.1918 0.2342 0.2708 -0.0123 -0.0016 -0.0007 429 GLY A C 2728 O O . GLY A 348 ? 0.1896 0.2296 0.2662 -0.0141 -0.0019 -0.0005 429 GLY A O 2729 N N . ARG A 349 ? 0.2122 0.2567 0.2933 -0.0123 0.0012 -0.0010 430 ARG A N 2730 C CA . ARG A 349 ? 0.2335 0.2779 0.3147 -0.0146 0.0043 -0.0011 430 ARG A CA 2731 C C . ARG A 349 ? 0.2447 0.2840 0.3183 -0.0150 0.0054 -0.0003 430 ARG A C 2732 O O . ARG A 349 ? 0.2465 0.2836 0.3158 -0.0131 0.0045 0.0003 430 ARG A O 2733 C CB . ARG A 349 ? 0.2476 0.2957 0.3335 -0.0144 0.0070 -0.0018 430 ARG A CB 2734 C CG . ARG A 349 ? 0.2646 0.3181 0.3586 -0.0140 0.0059 -0.0029 430 ARG A CG 2735 C CD . ARG A 349 ? 0.2795 0.3372 0.3794 -0.0148 0.0091 -0.0038 430 ARG A CD 2736 N NE . ARG A 349 ? 0.2974 0.3605 0.4058 -0.0147 0.0077 -0.0049 430 ARG A NE 2737 C CZ . ARG A 349 ? 0.3042 0.3721 0.4197 -0.0158 0.0100 -0.0059 430 ARG A CZ 2738 N NH1 . ARG A 349 ? 0.3129 0.3806 0.4276 -0.0172 0.0143 -0.0059 430 ARG A NH1 2739 N NH2 . ARG A 349 ? 0.3083 0.3814 0.4318 -0.0155 0.0080 -0.0069 430 ARG A NH2 2740 N N . PRO A 350 ? 0.2536 0.2909 0.3253 -0.0174 0.0072 -0.0001 431 PRO A N 2741 C CA . PRO A 350 ? 0.2580 0.2977 0.3346 -0.0200 0.0087 -0.0008 431 PRO A CA 2742 C C . PRO A 350 ? 0.2556 0.2954 0.3341 -0.0215 0.0062 -0.0009 431 PRO A C 2743 O O . PRO A 350 ? 0.2592 0.3021 0.3432 -0.0236 0.0070 -0.0016 431 PRO A O 2744 C CB . PRO A 350 ? 0.2640 0.2997 0.3354 -0.0219 0.0118 -0.0004 431 PRO A CB 2745 C CG . PRO A 350 ? 0.2676 0.2981 0.3312 -0.0206 0.0102 0.0006 431 PRO A CG 2746 C CD . PRO A 350 ? 0.2618 0.2938 0.3259 -0.0176 0.0080 0.0006 431 PRO A CD 2747 N N . GLN A 351 ? 0.2557 0.2923 0.3298 -0.0203 0.0032 -0.0004 432 GLN A N 2748 C CA . GLN A 351 ? 0.2637 0.2990 0.3380 -0.0218 0.0008 -0.0005 432 GLN A CA 2749 C C . GLN A 351 ? 0.2463 0.2863 0.3278 -0.0216 -0.0016 -0.0013 432 GLN A C 2750 O O . GLN A 351 ? 0.2501 0.2908 0.3345 -0.0237 -0.0028 -0.0018 432 GLN A O 2751 C CB . GLN A 351 ? 0.2812 0.3112 0.3481 -0.0205 -0.0015 0.0003 432 GLN A CB 2752 C CG . GLN A 351 ? 0.3035 0.3284 0.3632 -0.0207 0.0003 0.0011 432 GLN A CG 2753 C CD . GLN A 351 ? 0.3281 0.3502 0.3859 -0.0239 0.0017 0.0011 432 GLN A CD 2754 O OE1 . GLN A 351 ? 0.3427 0.3662 0.4043 -0.0261 0.0009 0.0006 432 GLN A OE1 2755 N NE2 . GLN A 351 ? 0.3506 0.3685 0.4025 -0.0242 0.0036 0.0017 432 GLN A NE2 2756 N N . GLU A 352 ? 0.2253 0.2682 0.3095 -0.0190 -0.0025 -0.0016 433 GLU A N 2757 C CA . GLU A 352 ? 0.2178 0.2645 0.3081 -0.0182 -0.0053 -0.0023 433 GLU A CA 2758 C C . GLU A 352 ? 0.2188 0.2711 0.3160 -0.0173 -0.0036 -0.0031 433 GLU A C 2759 O O . GLU A 352 ? 0.2149 0.2674 0.3110 -0.0149 -0.0032 -0.0030 433 GLU A O 2760 C CB . GLU A 352 ? 0.2110 0.2549 0.2972 -0.0156 -0.0085 -0.0019 433 GLU A CB 2761 C CG . GLU A 352 ? 0.2083 0.2465 0.2873 -0.0161 -0.0100 -0.0011 433 GLU A CG 2762 C CD . GLU A 352 ? 0.2046 0.2397 0.2789 -0.0135 -0.0124 -0.0006 433 GLU A CD 2763 O OE1 . GLU A 352 ? 0.1975 0.2311 0.2712 -0.0133 -0.0155 -0.0008 433 GLU A OE1 2764 O OE2 . GLU A 352 ? 0.2023 0.2363 0.2733 -0.0117 -0.0112 -0.0001 433 GLU A OE2 2765 N N . THR A 353 ? 0.2249 0.2816 0.3291 -0.0193 -0.0025 -0.0041 434 THR A N 2766 C CA . THR A 353 ? 0.2240 0.2860 0.3347 -0.0188 0.0001 -0.0049 434 THR A CA 2767 C C . THR A 353 ? 0.2194 0.2862 0.3373 -0.0168 -0.0025 -0.0059 434 THR A C 2768 O O . THR A 353 ? 0.2192 0.2906 0.3429 -0.0161 -0.0007 -0.0067 434 THR A O 2769 C CB . THR A 353 ? 0.2328 0.2972 0.3475 -0.0221 0.0036 -0.0054 434 THR A CB 2770 O OG1 . THR A 353 ? 0.2358 0.3021 0.3551 -0.0244 0.0015 -0.0060 434 THR A OG1 2771 C CG2 . THR A 353 ? 0.2390 0.2980 0.3460 -0.0236 0.0064 -0.0044 434 THR A CG2 2772 N N . ARG A 354 ? 0.2123 0.2779 0.3295 -0.0158 -0.0069 -0.0059 435 ARG A N 2773 C CA . ARG A 354 ? 0.2097 0.2787 0.3321 -0.0133 -0.0098 -0.0067 435 ARG A CA 2774 C C . ARG A 354 ? 0.2002 0.2687 0.3205 -0.0103 -0.0087 -0.0065 435 ARG A C 2775 O O . ARG A 354 ? 0.1927 0.2654 0.3187 -0.0085 -0.0089 -0.0074 435 ARG A O 2776 C CB . ARG A 354 ? 0.2117 0.2777 0.3313 -0.0125 -0.0147 -0.0065 435 ARG A CB 2777 C CG . ARG A 354 ? 0.2153 0.2839 0.3393 -0.0097 -0.0180 -0.0074 435 ARG A CG 2778 C CD . ARG A 354 ? 0.2165 0.2825 0.3387 -0.0091 -0.0230 -0.0074 435 ARG A CD 2779 N NE . ARG A 354 ? 0.2215 0.2898 0.3477 -0.0062 -0.0259 -0.0082 435 ARG A NE 2780 C CZ . ARG A 354 ? 0.2250 0.2905 0.3469 -0.0032 -0.0265 -0.0077 435 ARG A CZ 2781 N NH1 . ARG A 354 ? 0.2190 0.2796 0.3327 -0.0027 -0.0246 -0.0065 435 ARG A NH1 2782 N NH2 . ARG A 354 ? 0.2284 0.2959 0.3540 -0.0006 -0.0292 -0.0086 435 ARG A NH2 2783 N N . VAL A 355 ? 0.1988 0.2623 0.3109 -0.0097 -0.0076 -0.0053 436 VAL A N 2784 C CA . VAL A 355 ? 0.1945 0.2568 0.3037 -0.0073 -0.0065 -0.0050 436 VAL A CA 2785 C C . VAL A 355 ? 0.2005 0.2628 0.3084 -0.0082 -0.0020 -0.0048 436 VAL A C 2786 O O . VAL A 355 ? 0.2024 0.2640 0.3093 -0.0106 0.0001 -0.0046 436 VAL A O 2787 C CB . VAL A 355 ? 0.1908 0.2475 0.2919 -0.0059 -0.0085 -0.0039 436 VAL A CB 2788 C CG1 . VAL A 355 ? 0.1895 0.2453 0.2910 -0.0051 -0.0128 -0.0040 436 VAL A CG1 2789 C CG2 . VAL A 355 ? 0.1881 0.2408 0.2829 -0.0075 -0.0069 -0.0029 436 VAL A CG2 2790 N N . TRP A 356 ? 0.2050 0.2675 0.3124 -0.0062 -0.0007 -0.0048 437 TRP A N 2791 C CA . TRP A 356 ? 0.2073 0.2696 0.3133 -0.0067 0.0033 -0.0048 437 TRP A CA 2792 C C . TRP A 356 ? 0.1940 0.2511 0.2916 -0.0062 0.0040 -0.0036 437 TRP A C 2793 O O . TRP A 356 ? 0.1947 0.2504 0.2895 -0.0070 0.0069 -0.0034 437 TRP A O 2794 C CB . TRP A 356 ? 0.2265 0.2924 0.3375 -0.0049 0.0046 -0.0057 437 TRP A CB 2795 C CG . TRP A 356 ? 0.2512 0.3230 0.3713 -0.0055 0.0045 -0.0070 437 TRP A CG 2796 C CD1 . TRP A 356 ? 0.2642 0.3388 0.3894 -0.0044 0.0010 -0.0077 437 TRP A CD1 2797 C CD2 . TRP A 356 ? 0.2696 0.3450 0.3947 -0.0075 0.0081 -0.0077 437 TRP A CD2 2798 N NE1 . TRP A 356 ? 0.2728 0.3532 0.4067 -0.0056 0.0019 -0.0089 437 TRP A NE1 2799 C CE2 . TRP A 356 ? 0.2778 0.3589 0.4118 -0.0076 0.0065 -0.0089 437 TRP A CE2 2800 C CE3 . TRP A 356 ? 0.2791 0.3533 0.4018 -0.0093 0.0124 -0.0075 437 TRP A CE3 2801 C CZ2 . TRP A 356 ? 0.2856 0.3717 0.4268 -0.0095 0.0095 -0.0099 437 TRP A CZ2 2802 C CZ3 . TRP A 356 ? 0.2935 0.3720 0.4225 -0.0111 0.0155 -0.0085 437 TRP A CZ3 2803 C CH2 . TRP A 356 ? 0.2917 0.3764 0.4302 -0.0113 0.0141 -0.0097 437 TRP A CH2 2804 N N . TRP A 357 ? 0.1731 0.2274 0.2668 -0.0050 0.0012 -0.0030 438 TRP A N 2805 C CA . TRP A 357 ? 0.1634 0.2134 0.2500 -0.0045 0.0014 -0.0020 438 TRP A CA 2806 C C . TRP A 357 ? 0.1605 0.2075 0.2426 -0.0060 0.0012 -0.0013 438 TRP A C 2807 O O . TRP A 357 ? 0.1566 0.2040 0.2403 -0.0075 0.0003 -0.0014 438 TRP A O 2808 C CB . TRP A 357 ? 0.1556 0.2042 0.2404 -0.0022 -0.0011 -0.0018 438 TRP A CB 2809 C CG . TRP A 357 ? 0.1505 0.1993 0.2368 -0.0018 -0.0044 -0.0019 438 TRP A CG 2810 C CD1 . TRP A 357 ? 0.1483 0.1994 0.2392 -0.0005 -0.0064 -0.0026 438 TRP A CD1 2811 C CD2 . TRP A 357 ? 0.1473 0.1934 0.2301 -0.0024 -0.0064 -0.0013 438 TRP A CD2 2812 N NE1 . TRP A 357 ? 0.1481 0.1980 0.2384 -0.0004 -0.0095 -0.0026 438 TRP A NE1 2813 C CE2 . TRP A 357 ? 0.1461 0.1929 0.2314 -0.0016 -0.0095 -0.0017 438 TRP A CE2 2814 C CE3 . TRP A 357 ? 0.1440 0.1870 0.2217 -0.0035 -0.0059 -0.0005 438 TRP A CE3 2815 C CZ2 . TRP A 357 ? 0.1464 0.1905 0.2288 -0.0019 -0.0120 -0.0014 438 TRP A CZ2 2816 C CZ3 . TRP A 357 ? 0.1454 0.1859 0.2205 -0.0037 -0.0082 -0.0002 438 TRP A CZ3 2817 C CH2 . TRP A 357 ? 0.1474 0.1884 0.2247 -0.0030 -0.0112 -0.0006 438 TRP A CH2 2818 N N . THR A 358 ? 0.1573 0.2010 0.2337 -0.0057 0.0018 -0.0005 439 THR A N 2819 C CA . THR A 358 ? 0.1590 0.1994 0.2304 -0.0064 0.0012 0.0002 439 THR A CA 2820 C C . THR A 358 ? 0.1531 0.1912 0.2203 -0.0047 0.0000 0.0008 439 THR A C 2821 O O . THR A 358 ? 0.1451 0.1831 0.2114 -0.0038 0.0010 0.0009 439 THR A O 2822 C CB . THR A 358 ? 0.1682 0.2069 0.2367 -0.0078 0.0037 0.0005 439 THR A CB 2823 O OG1 . THR A 358 ? 0.1789 0.2195 0.2510 -0.0097 0.0054 -0.0001 439 THR A OG1 2824 C CG2 . THR A 358 ? 0.1725 0.2074 0.2355 -0.0082 0.0029 0.0012 439 THR A CG2 2825 N N . SER A 359 ? 0.1501 0.1864 0.2150 -0.0043 -0.0021 0.0012 440 SER A N 2826 C CA . SER A 359 ? 0.1490 0.1832 0.2101 -0.0029 -0.0030 0.0018 440 SER A CA 2827 C C . SER A 359 ? 0.1528 0.1842 0.2099 -0.0030 -0.0042 0.0023 440 SER A C 2828 O O . SER A 359 ? 0.1588 0.1895 0.2157 -0.0043 -0.0043 0.0023 440 SER A O 2829 C CB . SER A 359 ? 0.1470 0.1819 0.2097 -0.0014 -0.0045 0.0016 440 SER A CB 2830 O OG . SER A 359 ? 0.1473 0.1804 0.2066 -0.0003 -0.0046 0.0021 440 SER A OG 2831 N N . ASN A 360 ? 0.1507 0.1804 0.2046 -0.0017 -0.0049 0.0028 441 ASN A N 2832 C CA . ASN A 360 ? 0.1512 0.1781 0.2012 -0.0015 -0.0059 0.0032 441 ASN A CA 2833 C C . ASN A 360 ? 0.1509 0.1763 0.1986 0.0000 -0.0070 0.0035 441 ASN A C 2834 O O . ASN A 360 ? 0.1458 0.1719 0.1940 0.0008 -0.0067 0.0036 441 ASN A O 2835 C CB . ASN A 360 ? 0.1525 0.1782 0.1995 -0.0017 -0.0046 0.0035 441 ASN A CB 2836 C CG . ASN A 360 ? 0.1537 0.1798 0.1995 -0.0006 -0.0038 0.0038 441 ASN A CG 2837 O OD1 . ASN A 360 ? 0.1557 0.1834 0.2031 -0.0007 -0.0027 0.0036 441 ASN A OD1 2838 N ND2 . ASN A 360 ? 0.1526 0.1772 0.1955 0.0004 -0.0043 0.0041 441 ASN A ND2 2839 N N . SER A 361 ? 0.1500 0.1727 0.1945 0.0003 -0.0082 0.0038 442 SER A N 2840 C CA . SER A 361 ? 0.1534 0.1740 0.1944 0.0017 -0.0086 0.0041 442 SER A CA 2841 C C . SER A 361 ? 0.1538 0.1729 0.1915 0.0020 -0.0078 0.0045 442 SER A C 2842 O O . SER A 361 ? 0.1542 0.1736 0.1921 0.0011 -0.0072 0.0044 442 SER A O 2843 C CB . SER A 361 ? 0.1562 0.1745 0.1958 0.0021 -0.0107 0.0041 442 SER A CB 2844 O OG . SER A 361 ? 0.1625 0.1788 0.2005 0.0015 -0.0118 0.0040 442 SER A OG 2845 N N . ILE A 362 ? 0.1588 0.1763 0.1934 0.0032 -0.0078 0.0048 443 ILE A N 2846 C CA . ILE A 362 ? 0.1610 0.1773 0.1928 0.0039 -0.0071 0.0050 443 ILE A CA 2847 C C . ILE A 362 ? 0.1584 0.1713 0.1861 0.0050 -0.0079 0.0051 443 ILE A C 2848 O O . ILE A 362 ? 0.1572 0.1688 0.1840 0.0055 -0.0086 0.0052 443 ILE A O 2849 C CB . ILE A 362 ? 0.1682 0.1866 0.2006 0.0045 -0.0055 0.0051 443 ILE A CB 2850 C CG1 . ILE A 362 ? 0.1755 0.1939 0.2074 0.0053 -0.0050 0.0053 443 ILE A CG1 2851 C CG2 . ILE A 362 ? 0.1698 0.1908 0.2053 0.0034 -0.0047 0.0049 443 ILE A CG2 2852 C CD1 . ILE A 362 ? 0.1791 0.1996 0.2117 0.0057 -0.0035 0.0053 443 ILE A CD1 2853 N N . VAL A 363 ? 0.1570 0.1681 0.1820 0.0056 -0.0079 0.0051 444 VAL A N 2854 C CA . VAL A 363 ? 0.1616 0.1695 0.1824 0.0070 -0.0082 0.0053 444 VAL A CA 2855 C C . VAL A 363 ? 0.1609 0.1695 0.1806 0.0082 -0.0068 0.0053 444 VAL A C 2856 O O . VAL A 363 ? 0.1578 0.1678 0.1789 0.0077 -0.0066 0.0052 444 VAL A O 2857 C CB . VAL A 363 ? 0.1660 0.1699 0.1838 0.0066 -0.0100 0.0051 444 VAL A CB 2858 C CG1 . VAL A 363 ? 0.1683 0.1714 0.1856 0.0058 -0.0103 0.0050 444 VAL A CG1 2859 C CG2 . VAL A 363 ? 0.1707 0.1708 0.1836 0.0083 -0.0103 0.0052 444 VAL A CG2 2860 N N . VAL A 364 ? 0.1609 0.1686 0.1784 0.0098 -0.0060 0.0054 445 VAL A N 2861 C CA . VAL A 364 ? 0.1639 0.1733 0.1815 0.0111 -0.0047 0.0053 445 VAL A CA 2862 C C . VAL A 364 ? 0.1700 0.1764 0.1835 0.0131 -0.0044 0.0052 445 VAL A C 2863 O O . VAL A 364 ? 0.1726 0.1765 0.1835 0.0135 -0.0043 0.0053 445 VAL A O 2864 C CB . VAL A 364 ? 0.1593 0.1726 0.1802 0.0111 -0.0031 0.0053 445 VAL A CB 2865 C CG1 . VAL A 364 ? 0.1595 0.1754 0.1818 0.0122 -0.0019 0.0051 445 VAL A CG1 2866 C CG2 . VAL A 364 ? 0.1573 0.1729 0.1817 0.0093 -0.0033 0.0054 445 VAL A CG2 2867 N N . PHE A 365 ? 0.1746 0.1807 0.1870 0.0143 -0.0043 0.0050 446 PHE A N 2868 C CA . PHE A 365 ? 0.1832 0.1863 0.1915 0.0164 -0.0040 0.0049 446 PHE A CA 2869 C C . PHE A 365 ? 0.1873 0.1937 0.1976 0.0182 -0.0027 0.0046 446 PHE A C 2870 O O . PHE A 365 ? 0.1833 0.1931 0.1970 0.0177 -0.0028 0.0045 446 PHE A O 2871 C CB . PHE A 365 ? 0.1891 0.1876 0.1934 0.0165 -0.0058 0.0048 446 PHE A CB 2872 C CG . PHE A 365 ? 0.1921 0.1862 0.1930 0.0157 -0.0071 0.0049 446 PHE A CG 2873 C CD1 . PHE A 365 ? 0.1925 0.1874 0.1957 0.0135 -0.0080 0.0051 446 PHE A CD1 2874 C CD2 . PHE A 365 ? 0.2000 0.1890 0.1954 0.0172 -0.0076 0.0048 446 PHE A CD2 2875 C CE1 . PHE A 365 ? 0.1956 0.1866 0.1960 0.0128 -0.0096 0.0051 446 PHE A CE1 2876 C CE2 . PHE A 365 ? 0.2037 0.1884 0.1958 0.0163 -0.0092 0.0048 446 PHE A CE2 2877 C CZ . PHE A 365 ? 0.2019 0.1877 0.1967 0.0141 -0.0103 0.0050 446 PHE A CZ 2878 N N . CYS A 366 ? 0.1932 0.1987 0.2014 0.0203 -0.0015 0.0044 447 CYS A N 2879 C CA . CYS A 366 ? 0.1973 0.2063 0.2078 0.0222 -0.0002 0.0040 447 CYS A CA 2880 C C . CYS A 366 ? 0.1994 0.2050 0.2057 0.0248 -0.0004 0.0036 447 CYS A C 2881 O O . CYS A 366 ? 0.2005 0.2011 0.2019 0.0254 -0.0006 0.0037 447 CYS A O 2882 C CB . CYS A 366 ? 0.2053 0.2180 0.2188 0.0222 0.0022 0.0039 447 CYS A CB 2883 S SG . CYS A 366 ? 0.2098 0.2280 0.2295 0.0198 0.0025 0.0041 447 CYS A SG 2884 N N . GLY A 367 ? 0.1950 0.2030 0.2032 0.0266 -0.0004 0.0031 448 GLY A N 2885 C CA . GLY A 367 ? 0.1990 0.2041 0.2035 0.0295 -0.0006 0.0027 448 GLY A CA 2886 C C . GLY A 367 ? 0.2022 0.2065 0.2050 0.0312 0.0016 0.0025 448 GLY A C 2887 O O . GLY A 367 ? 0.1972 0.2054 0.2035 0.0307 0.0037 0.0025 448 GLY A O 2888 N N . THR A 368 ? 0.2084 0.2071 0.2053 0.0331 0.0012 0.0023 449 THR A N 2889 C CA . THR A 368 ? 0.2136 0.2106 0.2077 0.0351 0.0034 0.0021 449 THR A CA 2890 C C . THR A 368 ? 0.2243 0.2188 0.2152 0.0387 0.0033 0.0015 449 THR A C 2891 O O . THR A 368 ? 0.2265 0.2173 0.2142 0.0391 0.0010 0.0014 449 THR A O 2892 C CB . THR A 368 ? 0.2133 0.2043 0.2018 0.0338 0.0031 0.0026 449 THR A CB 2893 O OG1 . THR A 368 ? 0.2203 0.2093 0.2056 0.0358 0.0054 0.0023 449 THR A OG1 2894 C CG2 . THR A 368 ? 0.2171 0.2015 0.1999 0.0334 0.0002 0.0027 449 THR A CG2 2895 N N . SER A 369 ? 0.2318 0.2282 0.2234 0.0411 0.0059 0.0009 450 SER A N 2896 C CA . SER A 369 ? 0.2425 0.2360 0.2304 0.0449 0.0063 0.0002 450 SER A CA 2897 C C . SER A 369 ? 0.2484 0.2345 0.2285 0.0457 0.0070 0.0003 450 SER A C 2898 O O . SER A 369 ? 0.2562 0.2384 0.2318 0.0489 0.0074 -0.0002 450 SER A O 2899 C CB . SER A 369 ? 0.2450 0.2453 0.2388 0.0474 0.0089 -0.0005 450 SER A CB 2900 O OG . SER A 369 ? 0.2493 0.2523 0.2451 0.0465 0.0121 -0.0004 450 SER A OG 2901 N N . GLY A 370 ? 0.2417 0.2255 0.2198 0.0431 0.0071 0.0010 451 GLY A N 2902 C CA . GLY A 370 ? 0.2464 0.2227 0.2167 0.0435 0.0074 0.0011 451 GLY A CA 2903 C C . GLY A 370 ? 0.2461 0.2152 0.2104 0.0423 0.0040 0.0015 451 GLY A C 2904 O O . GLY A 370 ? 0.2470 0.2156 0.2115 0.0424 0.0018 0.0014 451 GLY A O 2905 N N . THR A 371 ? 0.2452 0.2085 0.2040 0.0411 0.0034 0.0018 452 THR A N 2906 C CA . THR A 371 ? 0.2433 0.1998 0.1965 0.0396 0.0001 0.0020 452 THR A CA 2907 C C . THR A 371 ? 0.2380 0.1951 0.1931 0.0360 -0.0014 0.0027 452 THR A C 2908 O O . THR A 371 ? 0.2313 0.1929 0.1905 0.0349 0.0002 0.0029 452 THR A O 2909 C CB . THR A 371 ? 0.2531 0.2009 0.1971 0.0417 0.0000 0.0017 452 THR A CB 2910 O OG1 . THR A 371 ? 0.2538 0.2005 0.1956 0.0421 0.0023 0.0018 452 THR A OG1 2911 C CG2 . THR A 371 ? 0.2575 0.2044 0.1996 0.0455 0.0011 0.0010 452 THR A CG2 2912 N N . TYR A 372 ? 0.2350 0.1874 0.1869 0.0341 -0.0045 0.0029 453 TYR A N 2913 C CA . TYR A 372 ? 0.2310 0.1846 0.1856 0.0307 -0.0064 0.0033 453 TYR A CA 2914 C C . TYR A 372 ? 0.2349 0.1817 0.1843 0.0292 -0.0097 0.0033 453 TYR A C 2915 O O . TYR A 372 ? 0.2374 0.1790 0.1815 0.0306 -0.0105 0.0030 453 TYR A O 2916 C CB . TYR A 372 ? 0.2241 0.1849 0.1866 0.0290 -0.0065 0.0035 453 TYR A CB 2917 C CG . TYR A 372 ? 0.2243 0.1849 0.1869 0.0297 -0.0074 0.0033 453 TYR A CG 2918 C CD1 . TYR A 372 ? 0.2279 0.1844 0.1879 0.0279 -0.0100 0.0034 453 TYR A CD1 2919 C CD2 . TYR A 372 ? 0.2242 0.1886 0.1893 0.0321 -0.0056 0.0030 453 TYR A CD2 2920 C CE1 . TYR A 372 ? 0.2290 0.1845 0.1881 0.0286 -0.0107 0.0032 453 TYR A CE1 2921 C CE2 . TYR A 372 ? 0.2256 0.1891 0.1900 0.0330 -0.0066 0.0028 453 TYR A CE2 2922 C CZ . TYR A 372 ? 0.2280 0.1868 0.1891 0.0312 -0.0092 0.0029 453 TYR A CZ 2923 O OH . TYR A 372 ? 0.2286 0.1857 0.1883 0.0321 -0.0102 0.0028 453 TYR A OH 2924 N N . GLY A 373 ? 0.2349 0.1820 0.1861 0.0264 -0.0116 0.0036 454 GLY A N 2925 C CA . GLY A 373 ? 0.2392 0.1806 0.1864 0.0245 -0.0149 0.0036 454 GLY A CA 2926 C C . GLY A 373 ? 0.2367 0.1817 0.1894 0.0215 -0.0165 0.0037 454 GLY A C 2927 O O . GLY A 373 ? 0.2333 0.1819 0.1894 0.0216 -0.0157 0.0038 454 GLY A O 2928 N N . THR A 374 ? 0.2375 0.1816 0.1911 0.0190 -0.0189 0.0038 455 THR A N 2929 C CA . THR A 374 ? 0.2350 0.1824 0.1938 0.0160 -0.0204 0.0039 455 THR A CA 2930 C C . THR A 374 ? 0.2307 0.1818 0.1944 0.0141 -0.0213 0.0040 455 THR A C 2931 O O . THR A 374 ? 0.2321 0.1812 0.1935 0.0148 -0.0217 0.0040 455 THR A O 2932 C CB . THR A 374 ? 0.2430 0.1845 0.1978 0.0143 -0.0231 0.0036 455 THR A CB 2933 O OG1 . THR A 374 ? 0.2502 0.1859 0.1997 0.0143 -0.0252 0.0034 455 THR A OG1 2934 C CG2 . THR A 374 ? 0.2510 0.1887 0.2012 0.0158 -0.0225 0.0035 455 THR A CG2 2935 N N . GLY A 375 ? 0.2241 0.1802 0.1942 0.0118 -0.0215 0.0041 456 GLY A N 2936 C CA . GLY A 375 ? 0.2218 0.1815 0.1970 0.0099 -0.0227 0.0041 456 GLY A CA 2937 C C . GLY A 375 ? 0.2168 0.1818 0.1988 0.0075 -0.0224 0.0041 456 GLY A C 2938 O O . GLY A 375 ? 0.2149 0.1799 0.1968 0.0070 -0.0218 0.0041 456 GLY A O 2939 N N . SER A 376 ? 0.2129 0.1821 0.2002 0.0062 -0.0229 0.0040 457 SER A N 2940 C CA . SER A 376 ? 0.2055 0.1804 0.1996 0.0043 -0.0222 0.0040 457 SER A CA 2941 C C . SER A 376 ? 0.2010 0.1805 0.1998 0.0045 -0.0217 0.0041 457 SER A C 2942 O O . SER A 376 ? 0.2041 0.1821 0.2022 0.0047 -0.0234 0.0040 457 SER A O 2943 C CB . SER A 376 ? 0.2087 0.1829 0.2048 0.0015 -0.0244 0.0037 457 SER A CB 2944 O OG . SER A 376 ? 0.2005 0.1804 0.2034 -0.0004 -0.0234 0.0036 457 SER A OG 2945 N N . TRP A 377 ? 0.1926 0.1771 0.1957 0.0045 -0.0195 0.0043 458 TRP A N 2946 C CA . TRP A 377 ? 0.1867 0.1750 0.1934 0.0050 -0.0186 0.0044 458 TRP A CA 2947 C C . TRP A 377 ? 0.1809 0.1746 0.1942 0.0033 -0.0179 0.0043 458 TRP A C 2948 O O . TRP A 377 ? 0.1844 0.1813 0.1999 0.0036 -0.0159 0.0045 458 TRP A O 2949 C CB . TRP A 377 ? 0.1830 0.1719 0.1879 0.0071 -0.0163 0.0048 458 TRP A CB 2950 C CG . TRP A 377 ? 0.1844 0.1683 0.1830 0.0089 -0.0165 0.0048 458 TRP A CG 2951 C CD1 . TRP A 377 ? 0.1865 0.1684 0.1826 0.0099 -0.0167 0.0049 458 TRP A CD1 2952 C CD2 . TRP A 377 ? 0.1862 0.1661 0.1797 0.0101 -0.0163 0.0048 458 TRP A CD2 2953 N NE1 . TRP A 377 ? 0.1918 0.1686 0.1815 0.0116 -0.0165 0.0050 458 TRP A NE1 2954 C CE2 . TRP A 377 ? 0.1907 0.1664 0.1790 0.0118 -0.0163 0.0048 458 TRP A CE2 2955 C CE3 . TRP A 377 ? 0.1859 0.1648 0.1783 0.0099 -0.0162 0.0047 458 TRP A CE3 2956 C CZ2 . TRP A 377 ? 0.1953 0.1662 0.1776 0.0135 -0.0160 0.0048 458 TRP A CZ2 2957 C CZ3 . TRP A 377 ? 0.1897 0.1637 0.1762 0.0116 -0.0161 0.0047 458 TRP A CZ3 2958 C CH2 . TRP A 377 ? 0.1946 0.1648 0.1762 0.0134 -0.0160 0.0047 458 TRP A CH2 2959 N N . PRO A 378 ? 0.1816 0.1761 0.1980 0.0014 -0.0197 0.0039 459 PRO A N 2960 C CA . PRO A 378 ? 0.1748 0.1741 0.1973 -0.0002 -0.0189 0.0037 459 PRO A CA 2961 C C . PRO A 378 ? 0.1691 0.1722 0.1958 0.0003 -0.0185 0.0037 459 PRO A C 2962 O O . PRO A 378 ? 0.1705 0.1722 0.1950 0.0019 -0.0189 0.0038 459 PRO A O 2963 C CB . PRO A 378 ? 0.1783 0.1769 0.2026 -0.0023 -0.0210 0.0032 459 PRO A CB 2964 C CG . PRO A 378 ? 0.1833 0.1781 0.2042 -0.0014 -0.0236 0.0031 459 PRO A CG 2965 C CD . PRO A 378 ? 0.1855 0.1765 0.2000 0.0008 -0.0226 0.0036 459 PRO A CD 2966 N N . ASP A 379 ? 0.1650 0.1725 0.1971 -0.0009 -0.0176 0.0034 460 ASP A N 2967 C CA . ASP A 379 ? 0.1590 0.1697 0.1948 -0.0003 -0.0172 0.0033 460 ASP A CA 2968 C C . ASP A 379 ? 0.1616 0.1710 0.1974 0.0003 -0.0199 0.0030 460 ASP A C 2969 O O . ASP A 379 ? 0.1599 0.1686 0.1943 0.0018 -0.0199 0.0033 460 ASP A O 2970 C CB . ASP A 379 ? 0.1568 0.1720 0.1985 -0.0018 -0.0161 0.0030 460 ASP A CB 2971 C CG . ASP A 379 ? 0.1537 0.1719 0.1993 -0.0011 -0.0162 0.0027 460 ASP A CG 2972 O OD1 . ASP A 379 ? 0.1549 0.1737 0.1997 0.0000 -0.0147 0.0030 460 ASP A OD1 2973 O OD2 . ASP A 379 ? 0.1526 0.1725 0.2021 -0.0016 -0.0179 0.0021 460 ASP A OD2 2974 N N . GLY A 380 ? 0.1616 0.1704 0.1988 -0.0009 -0.0222 0.0026 461 GLY A N 2975 C CA . GLY A 380 ? 0.1654 0.1721 0.2019 -0.0002 -0.0253 0.0022 461 GLY A CA 2976 C C . GLY A 380 ? 0.1632 0.1737 0.2056 -0.0003 -0.0267 0.0016 461 GLY A C 2977 O O . GLY A 380 ? 0.1662 0.1749 0.2083 0.0003 -0.0297 0.0012 461 GLY A O 2978 N N . ALA A 381 ? 0.1600 0.1753 0.2077 -0.0007 -0.0246 0.0015 462 ALA A N 2979 C CA . ALA A 381 ? 0.1612 0.1804 0.2150 -0.0006 -0.0258 0.0008 462 ALA A CA 2980 C C . ALA A 381 ? 0.1650 0.1865 0.2239 -0.0025 -0.0276 0.0000 462 ALA A C 2981 O O . ALA A 381 ? 0.1673 0.1891 0.2266 -0.0044 -0.0265 0.0000 462 ALA A O 2982 C CB . ALA A 381 ? 0.1574 0.1806 0.2149 -0.0005 -0.0228 0.0008 462 ALA A CB 2983 N N . ASN A 382 ? 0.1738 0.1968 0.2364 -0.0019 -0.0304 -0.0008 463 ASN A N 2984 C CA . ASN A 382 ? 0.1791 0.2057 0.2483 -0.0036 -0.0321 -0.0017 463 ASN A CA 2985 C C . ASN A 382 ? 0.1770 0.2099 0.2537 -0.0040 -0.0298 -0.0023 463 ASN A C 2986 O O . ASN A 382 ? 0.1706 0.2053 0.2496 -0.0021 -0.0301 -0.0025 463 ASN A O 2987 C CB . ASN A 382 ? 0.1861 0.2112 0.2557 -0.0025 -0.0367 -0.0024 463 ASN A CB 2988 C CG . ASN A 382 ? 0.1925 0.2215 0.2694 -0.0044 -0.0390 -0.0035 463 ASN A CG 2989 O OD1 . ASN A 382 ? 0.1897 0.2240 0.2732 -0.0061 -0.0369 -0.0040 463 ASN A OD1 2990 N ND2 . ASN A 382 ? 0.1981 0.2245 0.2738 -0.0040 -0.0434 -0.0040 463 ASN A ND2 2991 N N . ILE A 383 ? 0.1810 0.2167 0.2610 -0.0063 -0.0273 -0.0024 464 ILE A N 2992 C CA . ILE A 383 ? 0.1820 0.2233 0.2685 -0.0068 -0.0245 -0.0029 464 ILE A CA 2993 C C . ILE A 383 ? 0.1861 0.2321 0.2803 -0.0059 -0.0266 -0.0040 464 ILE A C 2994 O O . ILE A 383 ? 0.1838 0.2334 0.2820 -0.0049 -0.0249 -0.0044 464 ILE A O 2995 C CB . ILE A 383 ? 0.1827 0.2257 0.2712 -0.0097 -0.0217 -0.0029 464 ILE A CB 2996 C CG1 . ILE A 383 ? 0.1804 0.2271 0.2723 -0.0098 -0.0178 -0.0030 464 ILE A CG1 2997 C CG2 . ILE A 383 ? 0.1856 0.2310 0.2796 -0.0120 -0.0236 -0.0038 464 ILE A CG2 2998 C CD1 . ILE A 383 ? 0.1804 0.2244 0.2665 -0.0083 -0.0156 -0.0021 464 ILE A CD1 2999 N N . ASN A 384 ? 0.1949 0.2407 0.2909 -0.0062 -0.0305 -0.0046 465 ASN A N 3000 C CA . ASN A 384 ? 0.2044 0.2547 0.3079 -0.0053 -0.0331 -0.0059 465 ASN A CA 3001 C C . ASN A 384 ? 0.2049 0.2535 0.3064 -0.0019 -0.0351 -0.0058 465 ASN A C 3002 O O . ASN A 384 ? 0.2031 0.2556 0.3108 -0.0006 -0.0367 -0.0068 465 ASN A O 3003 C CB . ASN A 384 ? 0.2191 0.2693 0.3250 -0.0069 -0.0370 -0.0066 465 ASN A CB 3004 C CG . ASN A 384 ? 0.2321 0.2838 0.3402 -0.0105 -0.0351 -0.0067 465 ASN A CG 3005 O OD1 . ASN A 384 ? 0.2726 0.3199 0.3758 -0.0120 -0.0364 -0.0063 465 ASN A OD1 3006 N ND2 . ASN A 384 ? 0.2316 0.2890 0.3465 -0.0119 -0.0317 -0.0072 465 ASN A ND2 3007 N N . PHE A 385 ? 0.2033 0.2459 0.2960 -0.0005 -0.0349 -0.0047 466 PHE A N 3008 C CA . PHE A 385 ? 0.2065 0.2465 0.2959 0.0025 -0.0363 -0.0045 466 PHE A CA 3009 C C . PHE A 385 ? 0.2043 0.2458 0.2937 0.0035 -0.0327 -0.0041 466 PHE A C 3010 O O . PHE A 385 ? 0.2135 0.2531 0.3008 0.0059 -0.0335 -0.0040 466 PHE A O 3011 C CB . PHE A 385 ? 0.2097 0.2423 0.2894 0.0033 -0.0378 -0.0035 466 PHE A CB 3012 C CG . PHE A 385 ? 0.2147 0.2442 0.2925 0.0031 -0.0421 -0.0039 466 PHE A CG 3013 C CD1 . PHE A 385 ? 0.2157 0.2490 0.3006 0.0023 -0.0452 -0.0051 466 PHE A CD1 3014 C CD2 . PHE A 385 ? 0.2197 0.2422 0.2885 0.0037 -0.0432 -0.0031 466 PHE A CD2 3015 C CE1 . PHE A 385 ? 0.2235 0.2534 0.3062 0.0021 -0.0495 -0.0054 466 PHE A CE1 3016 C CE2 . PHE A 385 ? 0.2263 0.2451 0.2924 0.0035 -0.0472 -0.0034 466 PHE A CE2 3017 C CZ . PHE A 385 ? 0.2301 0.2524 0.3030 0.0027 -0.0505 -0.0046 466 PHE A CZ 3018 N N . MET A 386 ? 0.1975 0.2416 0.2888 0.0018 -0.0288 -0.0039 467 MET A N 3019 C CA . MET A 386 ? 0.1941 0.2386 0.2840 0.0026 -0.0253 -0.0034 467 MET A CA 3020 C C . MET A 386 ? 0.2016 0.2511 0.2984 0.0036 -0.0244 -0.0044 467 MET A C 3021 O O . MET A 386 ? 0.2041 0.2584 0.3082 0.0027 -0.0248 -0.0054 467 MET A O 3022 C CB . MET A 386 ? 0.1853 0.2298 0.2734 0.0005 -0.0217 -0.0028 467 MET A CB 3023 C CG . MET A 386 ? 0.1828 0.2226 0.2641 -0.0004 -0.0221 -0.0019 467 MET A CG 3024 S SD . MET A 386 ? 0.1797 0.2136 0.2527 0.0018 -0.0231 -0.0010 467 MET A SD 3025 C CE . MET A 386 ? 0.1787 0.2138 0.2513 0.0026 -0.0195 -0.0006 467 MET A CE 3026 N N . PRO A 387 ? 0.2124 0.2607 0.3070 0.0055 -0.0231 -0.0041 468 PRO A N 3027 C CA . PRO A 387 ? 0.2192 0.2718 0.3194 0.0062 -0.0211 -0.0049 468 PRO A CA 3028 C C . PRO A 387 ? 0.2220 0.2778 0.3250 0.0038 -0.0173 -0.0049 468 PRO A C 3029 O O . PRO A 387 ? 0.2192 0.2724 0.3174 0.0022 -0.0156 -0.0040 468 PRO A O 3030 C CB . PRO A 387 ? 0.2216 0.2708 0.3166 0.0080 -0.0200 -0.0042 468 PRO A CB 3031 C CG . PRO A 387 ? 0.2212 0.2646 0.3087 0.0085 -0.0219 -0.0033 468 PRO A CG 3032 C CD . PRO A 387 ? 0.2187 0.2616 0.3053 0.0066 -0.0228 -0.0030 468 PRO A CD 3033 N N . ILE A 388 ? 0.2288 0.2899 0.3392 0.0035 -0.0160 -0.0060 469 ILE A N 3034 C CA . ILE A 388 ? 0.2332 0.2971 0.3463 0.0010 -0.0124 -0.0061 469 ILE A CA 3035 C C . ILE A 388 ? 0.2303 0.2934 0.3408 0.0014 -0.0086 -0.0058 469 ILE A C 3036 O O . ILE A 388 ? 0.2354 0.2971 0.3440 0.0036 -0.0087 -0.0057 469 ILE A O 3037 C CB . ILE A 388 ? 0.2429 0.3130 0.3654 0.0001 -0.0124 -0.0075 469 ILE A CB 3038 C CG1 . ILE A 388 ? 0.2497 0.3237 0.3780 0.0026 -0.0123 -0.0085 469 ILE A CG1 3039 C CG2 . ILE A 388 ? 0.2478 0.3183 0.3725 -0.0006 -0.0165 -0.0078 469 ILE A CG2 3040 C CD1 . ILE A 388 ? 0.2568 0.3377 0.3950 0.0015 -0.0110 -0.0099 469 ILE A CD1 3041 O OXT . ILE A 388 ? 0.2198 0.2832 0.3297 -0.0006 -0.0054 -0.0055 469 ILE A OXT 3042 N N . VAL B 1 ? 0.4848 0.6151 0.5891 0.0017 0.0175 -0.0016 82 VAL B N 3043 C CA . VAL B 1 ? 0.4730 0.5974 0.5734 0.0000 0.0143 -0.0012 82 VAL B CA 3044 C C . VAL B 1 ? 0.4454 0.5736 0.5476 -0.0043 0.0124 -0.0001 82 VAL B C 3045 O O . VAL B 1 ? 0.4536 0.5848 0.5563 -0.0076 0.0139 0.0000 82 VAL B O 3046 C CB . VAL B 1 ? 0.4950 0.6098 0.5878 -0.0009 0.0148 -0.0020 82 VAL B CB 3047 C CG1 . VAL B 1 ? 0.5010 0.6105 0.5913 0.0032 0.0152 -0.0028 82 VAL B CG1 3048 C CG2 . VAL B 1 ? 0.5013 0.6156 0.5918 -0.0033 0.0176 -0.0025 82 VAL B CG2 3049 N N . GLU B 2 ? 0.4048 0.5326 0.5075 -0.0044 0.0091 0.0007 83 GLU B N 3050 C CA . GLU B 2 ? 0.3777 0.5091 0.4821 -0.0083 0.0069 0.0018 83 GLU B CA 3051 C C . GLU B 2 ? 0.3270 0.4503 0.4249 -0.0109 0.0051 0.0018 83 GLU B C 3052 O O . GLU B 2 ? 0.3044 0.4206 0.3981 -0.0090 0.0047 0.0012 83 GLU B O 3053 C CB . GLU B 2 ? 0.4066 0.5440 0.5166 -0.0063 0.0043 0.0027 83 GLU B CB 3054 C CG . GLU B 2 ? 0.4365 0.5821 0.5514 -0.0097 0.0028 0.0039 83 GLU B CG 3055 C CD . GLU B 2 ? 0.4611 0.6158 0.5821 -0.0099 0.0055 0.0040 83 GLU B CD 3056 O OE1 . GLU B 2 ? 0.4875 0.6430 0.6098 -0.0065 0.0083 0.0031 83 GLU B OE1 3057 O OE2 . GLU B 2 ? 0.4806 0.6417 0.6050 -0.0136 0.0048 0.0049 83 GLU B OE2 3058 N N . TYR B 3 ? 0.2801 0.4041 0.3770 -0.0154 0.0041 0.0024 84 TYR B N 3059 C CA . TYR B 3 ? 0.2575 0.3739 0.3483 -0.0179 0.0024 0.0024 84 TYR B CA 3060 C C . TYR B 3 ? 0.2424 0.3572 0.3331 -0.0164 -0.0006 0.0030 84 TYR B C 3061 O O . TYR B 3 ? 0.2310 0.3520 0.3267 -0.0157 -0.0023 0.0038 84 TYR B O 3062 C CB . TYR B 3 ? 0.2533 0.3706 0.3426 -0.0230 0.0019 0.0031 84 TYR B CB 3063 C CG . TYR B 3 ? 0.2510 0.3669 0.3378 -0.0253 0.0046 0.0026 84 TYR B CG 3064 C CD1 . TYR B 3 ? 0.2475 0.3559 0.3290 -0.0243 0.0062 0.0016 84 TYR B CD1 3065 C CD2 . TYR B 3 ? 0.2506 0.3723 0.3399 -0.0288 0.0054 0.0031 84 TYR B CD2 3066 C CE1 . TYR B 3 ? 0.2493 0.3559 0.3279 -0.0264 0.0084 0.0012 84 TYR B CE1 3067 C CE2 . TYR B 3 ? 0.2520 0.3718 0.3383 -0.0311 0.0078 0.0027 84 TYR B CE2 3068 C CZ . TYR B 3 ? 0.2519 0.3639 0.3327 -0.0298 0.0093 0.0018 84 TYR B CZ 3069 O OH . TYR B 3 ? 0.2524 0.3620 0.3297 -0.0321 0.0115 0.0014 84 TYR B OH 3070 N N . ARG B 4 ? 0.2270 0.3336 0.3122 -0.0161 -0.0013 0.0025 85 ARG B N 3071 C CA . ARG B 4 ? 0.2234 0.3272 0.3072 -0.0156 -0.0042 0.0030 85 ARG B CA 3072 C C . ARG B 4 ? 0.2261 0.3309 0.3091 -0.0196 -0.0064 0.0039 85 ARG B C 3073 O O . ARG B 4 ? 0.2244 0.3273 0.3045 -0.0231 -0.0057 0.0038 85 ARG B O 3074 C CB . ARG B 4 ? 0.2196 0.3144 0.2972 -0.0149 -0.0039 0.0021 85 ARG B CB 3075 C CG . ARG B 4 ? 0.2158 0.3083 0.2934 -0.0108 -0.0027 0.0014 85 ARG B CG 3076 C CD . ARG B 4 ? 0.2100 0.2945 0.2818 -0.0109 -0.0019 0.0005 85 ARG B CD 3077 N NE . ARG B 4 ? 0.2080 0.2887 0.2784 -0.0078 -0.0023 0.0001 85 ARG B NE 3078 C CZ . ARG B 4 ? 0.2071 0.2816 0.2733 -0.0074 -0.0016 -0.0007 85 ARG B CZ 3079 N NH1 . ARG B 4 ? 0.1988 0.2700 0.2619 -0.0095 -0.0006 -0.0011 85 ARG B NH1 3080 N NH2 . ARG B 4 ? 0.2149 0.2863 0.2800 -0.0049 -0.0020 -0.0010 85 ARG B NH2 3081 N N . ASN B 5 ? 0.2321 0.3394 0.3173 -0.0192 -0.0092 0.0048 86 ASN B N 3082 C CA . ASN B 5 ? 0.2429 0.3500 0.3264 -0.0231 -0.0118 0.0057 86 ASN B CA 3083 C C . ASN B 5 ? 0.2328 0.3332 0.3116 -0.0228 -0.0140 0.0058 86 ASN B C 3084 O O . ASN B 5 ? 0.2337 0.3313 0.3091 -0.0262 -0.0157 0.0063 86 ASN B O 3085 C CB . ASN B 5 ? 0.2627 0.3793 0.3529 -0.0238 -0.0135 0.0069 86 ASN B CB 3086 C CG . ASN B 5 ? 0.2874 0.4106 0.3815 -0.0256 -0.0114 0.0070 86 ASN B CG 3087 O OD1 . ASN B 5 ? 0.3140 0.4338 0.4044 -0.0284 -0.0096 0.0064 86 ASN B OD1 3088 N ND2 . ASN B 5 ? 0.3010 0.4336 0.4026 -0.0241 -0.0116 0.0076 86 ASN B ND2 3089 N N . TRP B 6 ? 0.2182 0.3156 0.2965 -0.0189 -0.0138 0.0053 87 TRP B N 3090 C CA . TRP B 6 ? 0.2157 0.3070 0.2898 -0.0185 -0.0157 0.0054 87 TRP B CA 3091 C C . TRP B 6 ? 0.2216 0.3156 0.2968 -0.0201 -0.0193 0.0067 87 TRP B C 3092 O O . TRP B 6 ? 0.2241 0.3125 0.2943 -0.0218 -0.0210 0.0070 87 TRP B O 3093 C CB . TRP B 6 ? 0.2108 0.2938 0.2780 -0.0206 -0.0147 0.0046 87 TRP B CB 3094 C CG . TRP B 6 ? 0.2013 0.2814 0.2671 -0.0193 -0.0116 0.0035 87 TRP B CG 3095 C CD1 . TRP B 6 ? 0.2003 0.2807 0.2655 -0.0210 -0.0096 0.0030 87 TRP B CD1 3096 C CD2 . TRP B 6 ? 0.1986 0.2747 0.2628 -0.0161 -0.0104 0.0026 87 TRP B CD2 3097 N NE1 . TRP B 6 ? 0.1991 0.2761 0.2628 -0.0190 -0.0074 0.0020 87 TRP B NE1 3098 C CE2 . TRP B 6 ? 0.1963 0.2708 0.2594 -0.0161 -0.0078 0.0017 87 TRP B CE2 3099 C CE3 . TRP B 6 ? 0.1984 0.2720 0.2619 -0.0135 -0.0114 0.0026 87 TRP B CE3 3100 C CZ2 . TRP B 6 ? 0.1925 0.2633 0.2541 -0.0135 -0.0063 0.0008 87 TRP B CZ2 3101 C CZ3 . TRP B 6 ? 0.1956 0.2653 0.2574 -0.0111 -0.0097 0.0016 87 TRP B CZ3 3102 C CH2 . TRP B 6 ? 0.1949 0.2635 0.2559 -0.0112 -0.0072 0.0008 87 TRP B CH2 3103 N N . SER B 7 ? 0.2259 0.3285 0.3075 -0.0195 -0.0203 0.0076 88 SER B N 3104 C CA . SER B 7 ? 0.2393 0.3457 0.3228 -0.0215 -0.0239 0.0090 88 SER B CA 3105 C C . SER B 7 ? 0.2448 0.3512 0.3296 -0.0179 -0.0264 0.0097 88 SER B C 3106 O O . SER B 7 ? 0.2577 0.3715 0.3484 -0.0165 -0.0283 0.0107 88 SER B O 3107 C CB . SER B 7 ? 0.2403 0.3567 0.3305 -0.0230 -0.0240 0.0098 88 SER B CB 3108 O OG . SER B 7 ? 0.2460 0.3683 0.3423 -0.0190 -0.0221 0.0095 88 SER B OG 3109 N N . LYS B 8 ? 0.2396 0.3378 0.3188 -0.0165 -0.0262 0.0090 89 LYS B N 3110 C CA . LYS B 8 ? 0.2390 0.3350 0.3174 -0.0137 -0.0286 0.0096 89 LYS B CA 3111 C C . LYS B 8 ? 0.2364 0.3237 0.3071 -0.0162 -0.0300 0.0095 89 LYS B C 3112 O O . LYS B 8 ? 0.2321 0.3143 0.2981 -0.0188 -0.0282 0.0087 89 LYS B O 3113 C CB . LYS B 8 ? 0.2386 0.3326 0.3175 -0.0090 -0.0265 0.0087 89 LYS B CB 3114 C CG . LYS B 8 ? 0.2382 0.3403 0.3246 -0.0057 -0.0254 0.0087 89 LYS B CG 3115 C CD . LYS B 8 ? 0.2359 0.3347 0.3215 -0.0016 -0.0230 0.0077 89 LYS B CD 3116 C CE . LYS B 8 ? 0.2344 0.3409 0.3269 0.0016 -0.0214 0.0076 89 LYS B CE 3117 N NZ . LYS B 8 ? 0.2308 0.3337 0.3220 0.0054 -0.0189 0.0064 89 LYS B NZ 3118 N N . PRO B 9 ? 0.2400 0.3253 0.3091 -0.0154 -0.0332 0.0105 90 PRO B N 3119 C CA . PRO B 9 ? 0.2408 0.3174 0.3021 -0.0177 -0.0343 0.0104 90 PRO B CA 3120 C C . PRO B 9 ? 0.2351 0.3040 0.2914 -0.0163 -0.0315 0.0090 90 PRO B C 3121 O O . PRO B 9 ? 0.2209 0.2909 0.2798 -0.0128 -0.0296 0.0083 90 PRO B O 3122 C CB . PRO B 9 ? 0.2513 0.3280 0.3124 -0.0165 -0.0383 0.0117 90 PRO B CB 3123 C CG . PRO B 9 ? 0.2509 0.3345 0.3192 -0.0120 -0.0384 0.0121 90 PRO B CG 3124 C CD . PRO B 9 ? 0.2449 0.3357 0.3190 -0.0123 -0.0359 0.0116 90 PRO B CD 3125 N N . GLN B 10 ? 0.2332 0.2947 0.2828 -0.0190 -0.0312 0.0085 91 GLN B N 3126 C CA . GLN B 10 ? 0.2359 0.2902 0.2807 -0.0179 -0.0289 0.0073 91 GLN B CA 3127 C C . GLN B 10 ? 0.2426 0.2941 0.2860 -0.0151 -0.0305 0.0077 91 GLN B C 3128 O O . GLN B 10 ? 0.2370 0.2880 0.2793 -0.0156 -0.0337 0.0088 91 GLN B O 3129 C CB . GLN B 10 ? 0.2345 0.2820 0.2725 -0.0215 -0.0283 0.0069 91 GLN B CB 3130 C CG . GLN B 10 ? 0.2314 0.2720 0.2648 -0.0208 -0.0257 0.0056 91 GLN B CG 3131 C CD . GLN B 10 ? 0.2321 0.2669 0.2596 -0.0242 -0.0247 0.0051 91 GLN B CD 3132 O OE1 . GLN B 10 ? 0.2258 0.2608 0.2534 -0.0254 -0.0225 0.0043 91 GLN B OE1 3133 N NE2 . GLN B 10 ? 0.2356 0.2649 0.2575 -0.0258 -0.0263 0.0054 91 GLN B NE2 3134 N N . CYS B 11 ? 0.2468 0.2960 0.2900 -0.0123 -0.0283 0.0068 92 CYS B N 3135 C CA . CYS B 11 ? 0.2625 0.3078 0.3034 -0.0098 -0.0296 0.0070 92 CYS B CA 3136 C C . CYS B 11 ? 0.2758 0.3135 0.3094 -0.0123 -0.0308 0.0072 92 CYS B C 3137 O O . CYS B 11 ? 0.2678 0.3015 0.2976 -0.0149 -0.0289 0.0064 92 CYS B O 3138 C CB . CYS B 11 ? 0.2683 0.3115 0.3092 -0.0071 -0.0268 0.0059 92 CYS B CB 3139 S SG . CYS B 11 ? 0.2710 0.3218 0.3194 -0.0040 -0.0250 0.0055 92 CYS B SG 3140 N N . GLN B 12 ? 0.3022 0.3377 0.3338 -0.0115 -0.0337 0.0082 93 GLN B N 3141 C CA . GLN B 12 ? 0.3299 0.3574 0.3538 -0.0138 -0.0347 0.0083 93 GLN B CA 3142 C C . GLN B 12 ? 0.3279 0.3496 0.3483 -0.0124 -0.0324 0.0072 93 GLN B C 3143 O O . GLN B 12 ? 0.3673 0.3898 0.3897 -0.0091 -0.0324 0.0072 93 GLN B O 3144 C CB . GLN B 12 ? 0.3618 0.3887 0.3842 -0.0137 -0.0390 0.0098 93 GLN B CB 3145 C CG . GLN B 12 ? 0.3757 0.4085 0.4015 -0.0157 -0.0416 0.0110 93 GLN B CG 3146 C CD . GLN B 12 ? 0.3932 0.4239 0.4157 -0.0201 -0.0403 0.0104 93 GLN B CD 3147 O OE1 . GLN B 12 ? 0.4155 0.4508 0.4418 -0.0209 -0.0384 0.0099 93 GLN B OE1 3148 N NE2 . GLN B 12 ? 0.4055 0.4289 0.4205 -0.0229 -0.0413 0.0106 93 GLN B NE2 3149 N N . ILE B 13 ? 0.3055 0.3219 0.3210 -0.0148 -0.0301 0.0062 94 ILE B N 3150 C CA . ILE B 13 ? 0.2954 0.3070 0.3080 -0.0139 -0.0277 0.0052 94 ILE B CA 3151 C C . ILE B 13 ? 0.2790 0.2825 0.2838 -0.0160 -0.0280 0.0051 94 ILE B C 3152 O O . ILE B 13 ? 0.2698 0.2707 0.2708 -0.0188 -0.0291 0.0055 94 ILE B O 3153 C CB . ILE B 13 ? 0.3001 0.3132 0.3146 -0.0144 -0.0240 0.0038 94 ILE B CB 3154 C CG1 . ILE B 13 ? 0.2997 0.3099 0.3106 -0.0178 -0.0227 0.0033 94 ILE B CG1 3155 C CG2 . ILE B 13 ? 0.3000 0.3207 0.3216 -0.0126 -0.0235 0.0038 94 ILE B CG2 3156 C CD1 . ILE B 13 ? 0.3008 0.3097 0.3115 -0.0180 -0.0190 0.0019 94 ILE B CD1 3157 N N . THR B 14 ? 0.2595 0.2588 0.2618 -0.0148 -0.0269 0.0046 95 THR B N 3158 C CA . THR B 14 ? 0.2557 0.2472 0.2505 -0.0166 -0.0267 0.0045 95 THR B CA 3159 C C . THR B 14 ? 0.2396 0.2286 0.2327 -0.0179 -0.0229 0.0030 95 THR B C 3160 O O . THR B 14 ? 0.2337 0.2166 0.2210 -0.0198 -0.0219 0.0026 95 THR B O 3161 C CB . THR B 14 ? 0.2634 0.2514 0.2560 -0.0144 -0.0284 0.0050 95 THR B CB 3162 O OG1 . THR B 14 ? 0.2636 0.2537 0.2597 -0.0119 -0.0265 0.0043 95 THR B OG1 3163 C CG2 . THR B 14 ? 0.2690 0.2594 0.2634 -0.0127 -0.0324 0.0066 95 THR B CG2 3164 N N . GLY B 15 ? 0.2212 0.2152 0.2196 -0.0170 -0.0207 0.0022 96 GLY B N 3165 C CA . GLY B 15 ? 0.2113 0.2043 0.2095 -0.0176 -0.0172 0.0009 96 GLY B CA 3166 C C . GLY B 15 ? 0.2006 0.1990 0.2049 -0.0151 -0.0160 0.0004 96 GLY B C 3167 O O . GLY B 15 ? 0.1934 0.1968 0.2022 -0.0136 -0.0173 0.0010 96 GLY B O 3168 N N . PHE B 16 ? 0.1930 0.1903 0.1972 -0.0149 -0.0136 -0.0006 97 PHE B N 3169 C CA . PHE B 16 ? 0.1858 0.1874 0.1949 -0.0131 -0.0121 -0.0012 97 PHE B CA 3170 C C . PHE B 16 ? 0.1869 0.1863 0.1950 -0.0118 -0.0115 -0.0016 97 PHE B C 3171 O O . PHE B 16 ? 0.1903 0.1847 0.1939 -0.0131 -0.0109 -0.0018 97 PHE B O 3172 C CB . PHE B 16 ? 0.1826 0.1861 0.1933 -0.0144 -0.0096 -0.0020 97 PHE B CB 3173 C CG . PHE B 16 ? 0.1811 0.1861 0.1921 -0.0158 -0.0100 -0.0017 97 PHE B CG 3174 C CD1 . PHE B 16 ? 0.1807 0.1907 0.1961 -0.0150 -0.0107 -0.0014 97 PHE B CD1 3175 C CD2 . PHE B 16 ? 0.1862 0.1870 0.1926 -0.0183 -0.0098 -0.0018 97 PHE B CD2 3176 C CE1 . PHE B 16 ? 0.1808 0.1919 0.1960 -0.0166 -0.0112 -0.0011 97 PHE B CE1 3177 C CE2 . PHE B 16 ? 0.1877 0.1892 0.1936 -0.0198 -0.0103 -0.0015 97 PHE B CE2 3178 C CZ . PHE B 16 ? 0.1853 0.1919 0.1957 -0.0191 -0.0111 -0.0011 97 PHE B CZ 3179 N N . ALA B 17 ? 0.1801 0.1828 0.1920 -0.0094 -0.0115 -0.0016 98 ALA B N 3180 C CA . ALA B 17 ? 0.1792 0.1795 0.1900 -0.0081 -0.0109 -0.0020 98 ALA B CA 3181 C C . ALA B 17 ? 0.1725 0.1760 0.1866 -0.0077 -0.0087 -0.0030 98 ALA B C 3182 O O . ALA B 17 ? 0.1607 0.1688 0.1788 -0.0073 -0.0082 -0.0031 98 ALA B O 3183 C CB . ALA B 17 ? 0.1796 0.1800 0.1910 -0.0053 -0.0130 -0.0013 98 ALA B CB 3184 N N . PRO B 18 ? 0.1734 0.1741 0.1856 -0.0081 -0.0076 -0.0036 99 PRO B N 3185 C CA . PRO B 18 ? 0.1712 0.1746 0.1863 -0.0078 -0.0058 -0.0044 99 PRO B CA 3186 C C . PRO B 18 ? 0.1696 0.1767 0.1884 -0.0053 -0.0061 -0.0043 99 PRO B C 3187 O O . PRO B 18 ? 0.1711 0.1772 0.1894 -0.0033 -0.0074 -0.0039 99 PRO B O 3188 C CB . PRO B 18 ? 0.1755 0.1745 0.1870 -0.0086 -0.0052 -0.0048 99 PRO B CB 3189 C CG . PRO B 18 ? 0.1799 0.1743 0.1868 -0.0102 -0.0059 -0.0044 99 PRO B CG 3190 C CD . PRO B 18 ? 0.1807 0.1755 0.1877 -0.0090 -0.0079 -0.0035 99 PRO B CD 3191 N N . PHE B 19 ? 0.1661 0.1772 0.1884 -0.0053 -0.0048 -0.0047 100 PHE B N 3192 C CA . PHE B 19 ? 0.1659 0.1807 0.1917 -0.0031 -0.0048 -0.0047 100 PHE B CA 3193 C C . PHE B 19 ? 0.1616 0.1772 0.1885 -0.0029 -0.0034 -0.0055 100 PHE B C 3194 O O . PHE B 19 ? 0.1628 0.1784 0.1901 -0.0010 -0.0034 -0.0056 100 PHE B O 3195 C CB . PHE B 19 ? 0.1652 0.1843 0.1942 -0.0033 -0.0050 -0.0043 100 PHE B CB 3196 C CG . PHE B 19 ? 0.1664 0.1896 0.1990 -0.0013 -0.0051 -0.0041 100 PHE B CG 3197 C CD1 . PHE B 19 ? 0.1730 0.1962 0.2059 0.0011 -0.0061 -0.0038 100 PHE B CD1 3198 C CD2 . PHE B 19 ? 0.1631 0.1902 0.1987 -0.0017 -0.0041 -0.0043 100 PHE B CD2 3199 C CE1 . PHE B 19 ? 0.1738 0.2011 0.2102 0.0030 -0.0058 -0.0037 100 PHE B CE1 3200 C CE2 . PHE B 19 ? 0.1661 0.1970 0.2048 -0.0001 -0.0039 -0.0042 100 PHE B CE2 3201 C CZ . PHE B 19 ? 0.1684 0.1998 0.2078 0.0023 -0.0047 -0.0039 100 PHE B CZ 3202 N N . SER B 20 ? 0.1583 0.1745 0.1856 -0.0046 -0.0021 -0.0059 101 SER B N 3203 C CA . SER B 20 ? 0.1562 0.1734 0.1846 -0.0045 -0.0010 -0.0065 101 SER B CA 3204 C C . SER B 20 ? 0.1560 0.1728 0.1841 -0.0065 0.0000 -0.0070 101 SER B C 3205 O O . SER B 20 ? 0.1542 0.1708 0.1820 -0.0079 0.0003 -0.0069 101 SER B O 3206 C CB . SER B 20 ? 0.1531 0.1743 0.1849 -0.0035 -0.0006 -0.0065 101 SER B CB 3207 O OG . SER B 20 ? 0.1532 0.1751 0.1857 -0.0032 0.0002 -0.0070 101 SER B OG 3208 N N . LYS B 21 ? 0.1568 0.1735 0.1850 -0.0067 0.0006 -0.0075 102 LYS B N 3209 C CA . LYS B 21 ? 0.1584 0.1756 0.1872 -0.0083 0.0016 -0.0079 102 LYS B CA 3210 C C . LYS B 21 ? 0.1605 0.1791 0.1906 -0.0078 0.0018 -0.0082 102 LYS B C 3211 O O . LYS B 21 ? 0.1634 0.1803 0.1920 -0.0070 0.0013 -0.0083 102 LYS B O 3212 C CB . LYS B 21 ? 0.1600 0.1740 0.1859 -0.0099 0.0016 -0.0080 102 LYS B CB 3213 C CG . LYS B 21 ? 0.1586 0.1738 0.1855 -0.0117 0.0028 -0.0084 102 LYS B CG 3214 C CD . LYS B 21 ? 0.1627 0.1747 0.1865 -0.0136 0.0030 -0.0085 102 LYS B CD 3215 C CE . LYS B 21 ? 0.1614 0.1748 0.1863 -0.0154 0.0045 -0.0088 102 LYS B CE 3216 N NZ . LYS B 21 ? 0.1594 0.1765 0.1878 -0.0154 0.0050 -0.0092 102 LYS B NZ 3217 N N . ASP B 22 ? 0.1617 0.1828 0.1941 -0.0082 0.0024 -0.0084 103 ASP B N 3218 C CA . ASP B 22 ? 0.1659 0.1882 0.1993 -0.0077 0.0024 -0.0086 103 ASP B CA 3219 C C . ASP B 22 ? 0.1580 0.1805 0.1916 -0.0091 0.0025 -0.0089 103 ASP B C 3220 O O . ASP B 22 ? 0.1524 0.1749 0.1859 -0.0090 0.0021 -0.0091 103 ASP B O 3221 C CB . ASP B 22 ? 0.1760 0.2010 0.2117 -0.0068 0.0026 -0.0085 103 ASP B CB 3222 C CG . ASP B 22 ? 0.1858 0.2127 0.2234 -0.0074 0.0033 -0.0085 103 ASP B CG 3223 O OD1 . ASP B 22 ? 0.1950 0.2216 0.2326 -0.0085 0.0037 -0.0086 103 ASP B OD1 3224 O OD2 . ASP B 22 ? 0.2052 0.2337 0.2443 -0.0068 0.0034 -0.0084 103 ASP B OD2 3225 N N . ASN B 23 ? 0.1531 0.1757 0.1869 -0.0106 0.0031 -0.0090 104 ASN B N 3226 C CA . ASN B 23 ? 0.1529 0.1761 0.1871 -0.0122 0.0032 -0.0093 104 ASN B CA 3227 C C . ASN B 23 ? 0.1517 0.1780 0.1888 -0.0119 0.0031 -0.0093 104 ASN B C 3228 O O . ASN B 23 ? 0.1494 0.1763 0.1868 -0.0129 0.0027 -0.0094 104 ASN B O 3229 C CB . ASN B 23 ? 0.1549 0.1748 0.1859 -0.0130 0.0025 -0.0094 104 ASN B CB 3230 C CG . ASN B 23 ? 0.1569 0.1733 0.1847 -0.0136 0.0025 -0.0093 104 ASN B CG 3231 O OD1 . ASN B 23 ? 0.1596 0.1760 0.1873 -0.0151 0.0033 -0.0094 104 ASN B OD1 3232 N ND2 . ASN B 23 ? 0.1571 0.1703 0.1821 -0.0124 0.0018 -0.0092 104 ASN B ND2 3233 N N . SER B 24 ? 0.1510 0.1792 0.1900 -0.0106 0.0034 -0.0092 105 SER B N 3234 C CA . SER B 24 ? 0.1571 0.1877 0.1984 -0.0099 0.0031 -0.0091 105 SER B CA 3235 C C . SER B 24 ? 0.1498 0.1830 0.1935 -0.0109 0.0031 -0.0092 105 SER B C 3236 O O . SER B 24 ? 0.1456 0.1798 0.1900 -0.0110 0.0022 -0.0091 105 SER B O 3237 C CB . SER B 24 ? 0.1630 0.1947 0.2056 -0.0087 0.0036 -0.0089 105 SER B CB 3238 O OG . SER B 24 ? 0.1896 0.2226 0.2334 -0.0078 0.0031 -0.0088 105 SER B OG 3239 N N . ILE B 25 ? 0.1413 0.1756 0.1862 -0.0117 0.0042 -0.0094 106 ILE B N 3240 C CA . ILE B 25 ? 0.1375 0.1752 0.1856 -0.0124 0.0045 -0.0094 106 ILE B CA 3241 C C . ILE B 25 ? 0.1396 0.1773 0.1870 -0.0144 0.0039 -0.0095 106 ILE B C 3242 O O . ILE B 25 ? 0.1361 0.1763 0.1857 -0.0148 0.0031 -0.0094 106 ILE B O 3243 C CB . ILE B 25 ? 0.1347 0.1737 0.1843 -0.0126 0.0063 -0.0096 106 ILE B CB 3244 C CG1 . ILE B 25 ? 0.1337 0.1720 0.1833 -0.0108 0.0069 -0.0096 106 ILE B CG1 3245 C CG2 . ILE B 25 ? 0.1337 0.1769 0.1873 -0.0129 0.0068 -0.0097 106 ILE B CG2 3246 C CD1 . ILE B 25 ? 0.1337 0.1731 0.1847 -0.0092 0.0060 -0.0093 106 ILE B CD1 3247 N N . ARG B 26 ? 0.1400 0.1744 0.1842 -0.0157 0.0040 -0.0097 107 ARG B N 3248 C CA . ARG B 26 ? 0.1422 0.1754 0.1846 -0.0177 0.0033 -0.0098 107 ARG B CA 3249 C C . ARG B 26 ? 0.1423 0.1750 0.1839 -0.0173 0.0016 -0.0096 107 ARG B C 3250 O O . ARG B 26 ? 0.1418 0.1759 0.1841 -0.0188 0.0008 -0.0096 107 ARG B O 3251 C CB . ARG B 26 ? 0.1457 0.1744 0.1837 -0.0187 0.0035 -0.0099 107 ARG B CB 3252 C CG . ARG B 26 ? 0.1471 0.1756 0.1850 -0.0198 0.0050 -0.0100 107 ARG B CG 3253 C CD . ARG B 26 ? 0.1524 0.1757 0.1854 -0.0203 0.0050 -0.0100 107 ARG B CD 3254 N NE . ARG B 26 ? 0.1576 0.1776 0.1871 -0.0218 0.0040 -0.0100 107 ARG B NE 3255 C CZ . ARG B 26 ? 0.1651 0.1839 0.1929 -0.0245 0.0044 -0.0102 107 ARG B CZ 3256 N NH1 . ARG B 26 ? 0.1711 0.1862 0.1950 -0.0259 0.0034 -0.0102 107 ARG B NH1 3257 N NH2 . ARG B 26 ? 0.1652 0.1865 0.1949 -0.0260 0.0059 -0.0103 107 ARG B NH2 3258 N N . LEU B 27 ? 0.1429 0.1735 0.1828 -0.0155 0.0012 -0.0095 108 LEU B N 3259 C CA . LEU B 27 ? 0.1458 0.1753 0.1844 -0.0150 -0.0001 -0.0095 108 LEU B CA 3260 C C . LEU B 27 ? 0.1475 0.1807 0.1893 -0.0146 -0.0008 -0.0092 108 LEU B C 3261 O O . LEU B 27 ? 0.1459 0.1789 0.1869 -0.0153 -0.0021 -0.0092 108 LEU B O 3262 C CB . LEU B 27 ? 0.1464 0.1733 0.1828 -0.0129 0.0000 -0.0094 108 LEU B CB 3263 C CG . LEU B 27 ? 0.1482 0.1712 0.1810 -0.0129 0.0003 -0.0096 108 LEU B CG 3264 C CD1 . LEU B 27 ? 0.1483 0.1703 0.1805 -0.0107 0.0005 -0.0095 108 LEU B CD1 3265 C CD2 . LEU B 27 ? 0.1549 0.1744 0.1840 -0.0141 -0.0006 -0.0098 108 LEU B CD2 3266 N N . SER B 28 ? 0.1482 0.1845 0.1934 -0.0135 0.0000 -0.0091 109 SER B N 3267 C CA . SER B 28 ? 0.1530 0.1927 0.2016 -0.0128 -0.0008 -0.0088 109 SER B CA 3268 C C . SER B 28 ? 0.1554 0.1982 0.2063 -0.0145 -0.0016 -0.0087 109 SER B C 3269 O O . SER B 28 ? 0.1568 0.2021 0.2098 -0.0140 -0.0029 -0.0084 109 SER B O 3270 C CB . SER B 28 ? 0.1512 0.1931 0.2026 -0.0113 0.0005 -0.0087 109 SER B CB 3271 O OG . SER B 28 ? 0.1567 0.1962 0.2062 -0.0098 0.0011 -0.0087 109 SER B OG 3272 N N . ALA B 29 ? 0.1596 0.2024 0.2102 -0.0165 -0.0011 -0.0090 110 ALA B N 3273 C CA . ALA B 29 ? 0.1632 0.2092 0.2160 -0.0187 -0.0019 -0.0089 110 ALA B CA 3274 C C . ALA B 29 ? 0.1710 0.2144 0.2204 -0.0203 -0.0038 -0.0088 110 ALA B C 3275 O O . ALA B 29 ? 0.1772 0.2231 0.2281 -0.0224 -0.0048 -0.0086 110 ALA B O 3276 C CB . ALA B 29 ? 0.1639 0.2107 0.2172 -0.0205 -0.0003 -0.0092 110 ALA B CB 3277 N N . GLY B 30 ? 0.1712 0.2098 0.2161 -0.0194 -0.0041 -0.0089 111 GLY B N 3278 C CA . GLY B 30 ? 0.1781 0.2133 0.2190 -0.0207 -0.0057 -0.0089 111 GLY B CA 3279 C C . GLY B 30 ? 0.1814 0.2129 0.2190 -0.0186 -0.0059 -0.0090 111 GLY B C 3280 O O . GLY B 30 ? 0.1886 0.2153 0.2216 -0.0187 -0.0057 -0.0093 111 GLY B O 3281 N N . GLY B 31 ? 0.1781 0.2116 0.2179 -0.0167 -0.0061 -0.0087 112 GLY B N 3282 C CA . GLY B 31 ? 0.1769 0.2076 0.2141 -0.0148 -0.0058 -0.0087 112 GLY B CA 3283 C C . GLY B 31 ? 0.1737 0.2071 0.2140 -0.0129 -0.0056 -0.0084 112 GLY B C 3284 O O . GLY B 31 ? 0.1697 0.2068 0.2141 -0.0126 -0.0051 -0.0082 112 GLY B O 3285 N N . ASP B 32 ? 0.1713 0.2027 0.2095 -0.0117 -0.0059 -0.0083 113 ASP B N 3286 C CA . ASP B 32 ? 0.1679 0.2010 0.2081 -0.0100 -0.0057 -0.0080 113 ASP B CA 3287 C C . ASP B 32 ? 0.1609 0.1932 0.2009 -0.0086 -0.0039 -0.0081 113 ASP B C 3288 O O . ASP B 32 ? 0.1651 0.1946 0.2022 -0.0081 -0.0034 -0.0083 113 ASP B O 3289 C CB . ASP B 32 ? 0.1728 0.2041 0.2105 -0.0097 -0.0070 -0.0077 113 ASP B CB 3290 C CG . ASP B 32 ? 0.1810 0.2130 0.2186 -0.0113 -0.0091 -0.0075 113 ASP B CG 3291 O OD1 . ASP B 32 ? 0.1819 0.2178 0.2234 -0.0118 -0.0098 -0.0072 113 ASP B OD1 3292 O OD2 . ASP B 32 ? 0.1933 0.2219 0.2268 -0.0121 -0.0100 -0.0076 113 ASP B OD2 3293 N N . ILE B 33 ? 0.1517 0.1865 0.1949 -0.0082 -0.0030 -0.0081 114 ILE B N 3294 C CA . ILE B 33 ? 0.1468 0.1809 0.1899 -0.0073 -0.0015 -0.0082 114 ILE B CA 3295 C C . ILE B 33 ? 0.1413 0.1771 0.1866 -0.0062 -0.0011 -0.0079 114 ILE B C 3296 O O . ILE B 33 ? 0.1402 0.1785 0.1882 -0.0061 -0.0014 -0.0078 114 ILE B O 3297 C CB . ILE B 33 ? 0.1466 0.1810 0.1903 -0.0082 -0.0007 -0.0085 114 ILE B CB 3298 C CG1 . ILE B 33 ? 0.1506 0.1824 0.1913 -0.0093 -0.0011 -0.0088 114 ILE B CG1 3299 C CG2 . ILE B 33 ? 0.1459 0.1799 0.1897 -0.0075 0.0007 -0.0085 114 ILE B CG2 3300 C CD1 . ILE B 33 ? 0.1527 0.1815 0.1904 -0.0084 -0.0007 -0.0089 114 ILE B CD1 3301 N N . TRP B 34 ? 0.1364 0.1709 0.1805 -0.0053 -0.0003 -0.0079 115 TRP B N 3302 C CA . TRP B 34 ? 0.1337 0.1688 0.1788 -0.0043 0.0001 -0.0076 115 TRP B CA 3303 C C . TRP B 34 ? 0.1314 0.1681 0.1789 -0.0042 0.0010 -0.0077 115 TRP B C 3304 O O . TRP B 34 ? 0.1316 0.1681 0.1791 -0.0050 0.0019 -0.0080 115 TRP B O 3305 C CB . TRP B 34 ? 0.1334 0.1667 0.1766 -0.0039 0.0009 -0.0075 115 TRP B CB 3306 C CG . TRP B 34 ? 0.1353 0.1673 0.1764 -0.0037 0.0004 -0.0073 115 TRP B CG 3307 C CD1 . TRP B 34 ? 0.1371 0.1678 0.1761 -0.0040 0.0002 -0.0075 115 TRP B CD1 3308 C CD2 . TRP B 34 ? 0.1362 0.1673 0.1764 -0.0031 0.0001 -0.0070 115 TRP B CD2 3309 N NE1 . TRP B 34 ? 0.1385 0.1679 0.1755 -0.0037 -0.0001 -0.0073 115 TRP B NE1 3310 C CE2 . TRP B 34 ? 0.1374 0.1669 0.1750 -0.0032 -0.0002 -0.0069 115 TRP B CE2 3311 C CE3 . TRP B 34 ? 0.1365 0.1678 0.1776 -0.0024 0.0001 -0.0067 115 TRP B CE3 3312 C CZ2 . TRP B 34 ? 0.1396 0.1676 0.1753 -0.0030 -0.0006 -0.0065 115 TRP B CZ2 3313 C CZ3 . TRP B 34 ? 0.1387 0.1682 0.1777 -0.0020 -0.0004 -0.0063 115 TRP B CZ3 3314 C CH2 . TRP B 34 ? 0.1401 0.1680 0.1765 -0.0024 -0.0007 -0.0062 115 TRP B CH2 3315 N N . VAL B 35 ? 0.1294 0.1672 0.1786 -0.0033 0.0010 -0.0075 116 VAL B N 3316 C CA . VAL B 35 ? 0.1269 0.1654 0.1776 -0.0028 0.0023 -0.0076 116 VAL B CA 3317 C C . VAL B 35 ? 0.1290 0.1651 0.1775 -0.0026 0.0031 -0.0076 116 VAL B C 3318 O O . VAL B 35 ? 0.1269 0.1615 0.1738 -0.0021 0.0027 -0.0073 116 VAL B O 3319 C CB . VAL B 35 ? 0.1277 0.1680 0.1810 -0.0015 0.0020 -0.0074 116 VAL B CB 3320 C CG1 . VAL B 35 ? 0.1273 0.1676 0.1815 -0.0008 0.0036 -0.0076 116 VAL B CG1 3321 C CG2 . VAL B 35 ? 0.1277 0.1712 0.1838 -0.0020 0.0010 -0.0074 116 VAL B CG2 3322 N N . THR B 36 ? 0.1305 0.1661 0.1787 -0.0032 0.0043 -0.0079 117 THR B N 3323 C CA . THR B 36 ? 0.1328 0.1663 0.1789 -0.0034 0.0050 -0.0078 117 THR B CA 3324 C C . THR B 36 ? 0.1345 0.1673 0.1805 -0.0035 0.0063 -0.0081 117 THR B C 3325 O O . THR B 36 ? 0.1346 0.1687 0.1823 -0.0035 0.0069 -0.0084 117 THR B O 3326 C CB . THR B 36 ? 0.1347 0.1676 0.1793 -0.0043 0.0048 -0.0079 117 THR B CB 3327 O OG1 . THR B 36 ? 0.1377 0.1710 0.1827 -0.0051 0.0051 -0.0081 117 THR B OG1 3328 C CG2 . THR B 36 ? 0.1364 0.1695 0.1805 -0.0041 0.0038 -0.0077 117 THR B CG2 3329 N N . ARG B 37 ? 0.1342 0.1649 0.1780 -0.0037 0.0067 -0.0080 118 ARG B N 3330 C CA . ARG B 37 ? 0.1359 0.1650 0.1784 -0.0044 0.0079 -0.0082 118 ARG B CA 3331 C C . ARG B 37 ? 0.1391 0.1664 0.1791 -0.0052 0.0076 -0.0079 118 ARG B C 3332 O O . ARG B 37 ? 0.1355 0.1630 0.1752 -0.0051 0.0069 -0.0076 118 ARG B O 3333 C CB . ARG B 37 ? 0.1399 0.1683 0.1828 -0.0034 0.0090 -0.0085 118 ARG B CB 3334 C CG . ARG B 37 ? 0.1408 0.1710 0.1858 -0.0034 0.0100 -0.0089 118 ARG B CG 3335 C CD . ARG B 37 ? 0.1443 0.1726 0.1882 -0.0031 0.0117 -0.0093 118 ARG B CD 3336 N NE . ARG B 37 ? 0.1483 0.1736 0.1888 -0.0045 0.0121 -0.0093 118 ARG B NE 3337 C CZ . ARG B 37 ? 0.1535 0.1755 0.1912 -0.0045 0.0132 -0.0095 118 ARG B CZ 3338 N NH1 . ARG B 37 ? 0.1552 0.1763 0.1930 -0.0029 0.0143 -0.0097 118 ARG B NH1 3339 N NH2 . ARG B 37 ? 0.1566 0.1761 0.1911 -0.0061 0.0132 -0.0094 118 ARG B NH2 3340 N N . GLU B 38 ? 0.1439 0.1694 0.1822 -0.0061 0.0083 -0.0080 119 GLU B N 3341 C CA . GLU B 38 ? 0.1506 0.1746 0.1866 -0.0072 0.0079 -0.0077 119 GLU B CA 3342 C C . GLU B 38 ? 0.1488 0.1746 0.1855 -0.0077 0.0069 -0.0074 119 GLU B C 3343 O O . GLU B 38 ? 0.1517 0.1778 0.1879 -0.0079 0.0064 -0.0070 119 GLU B O 3344 C CB . GLU B 38 ? 0.1581 0.1802 0.1924 -0.0070 0.0081 -0.0075 119 GLU B CB 3345 C CG . GLU B 38 ? 0.1658 0.1853 0.1987 -0.0063 0.0093 -0.0078 119 GLU B CG 3346 C CD . GLU B 38 ? 0.1698 0.1904 0.2049 -0.0044 0.0096 -0.0080 119 GLU B CD 3347 O OE1 . GLU B 38 ? 0.1691 0.1916 0.2059 -0.0037 0.0087 -0.0078 119 GLU B OE1 3348 O OE2 . GLU B 38 ? 0.1745 0.1940 0.2095 -0.0036 0.0108 -0.0084 119 GLU B OE2 3349 N N . PRO B 39 ? 0.1440 0.1710 0.1817 -0.0078 0.0066 -0.0075 120 PRO B N 3350 C CA . PRO B 39 ? 0.1425 0.1709 0.1807 -0.0079 0.0057 -0.0073 120 PRO B CA 3351 C C . PRO B 39 ? 0.1415 0.1696 0.1786 -0.0089 0.0053 -0.0069 120 PRO B C 3352 O O . PRO B 39 ? 0.1412 0.1675 0.1766 -0.0098 0.0055 -0.0069 120 PRO B O 3353 C CB . PRO B 39 ? 0.1434 0.1721 0.1823 -0.0077 0.0056 -0.0075 120 PRO B CB 3354 C CG . PRO B 39 ? 0.1449 0.1720 0.1828 -0.0084 0.0064 -0.0078 120 PRO B CG 3355 C CD . PRO B 39 ? 0.1460 0.1726 0.1840 -0.0079 0.0072 -0.0079 120 PRO B CD 3356 N N . TYR B 40 ? 0.1390 0.1688 0.1770 -0.0087 0.0045 -0.0066 121 TYR B N 3357 C CA . TYR B 40 ? 0.1397 0.1701 0.1774 -0.0095 0.0038 -0.0062 121 TYR B CA 3358 C C . TYR B 40 ? 0.1385 0.1712 0.1778 -0.0086 0.0031 -0.0060 121 TYR B C 3359 O O . TYR B 40 ? 0.1374 0.1708 0.1776 -0.0075 0.0034 -0.0062 121 TYR B O 3360 C CB . TYR B 40 ? 0.1410 0.1710 0.1775 -0.0108 0.0038 -0.0058 121 TYR B CB 3361 C CG . TYR B 40 ? 0.1411 0.1723 0.1782 -0.0107 0.0041 -0.0057 121 TYR B CG 3362 C CD1 . TYR B 40 ? 0.1405 0.1700 0.1766 -0.0104 0.0048 -0.0059 121 TYR B CD1 3363 C CD2 . TYR B 40 ? 0.1393 0.1732 0.1777 -0.0109 0.0037 -0.0053 121 TYR B CD2 3364 C CE1 . TYR B 40 ? 0.1417 0.1715 0.1776 -0.0106 0.0051 -0.0058 121 TYR B CE1 3365 C CE2 . TYR B 40 ? 0.1399 0.1746 0.1784 -0.0111 0.0042 -0.0052 121 TYR B CE2 3366 C CZ . TYR B 40 ? 0.1420 0.1743 0.1789 -0.0110 0.0048 -0.0054 121 TYR B CZ 3367 O OH . TYR B 40 ? 0.1421 0.1745 0.1784 -0.0114 0.0052 -0.0052 121 TYR B OH 3368 N N . VAL B 41 ? 0.1440 0.1777 0.1835 -0.0090 0.0023 -0.0055 122 VAL B N 3369 C CA . VAL B 41 ? 0.1426 0.1786 0.1839 -0.0078 0.0017 -0.0053 122 VAL B CA 3370 C C . VAL B 41 ? 0.1455 0.1843 0.1881 -0.0084 0.0012 -0.0047 122 VAL B C 3371 O O . VAL B 41 ? 0.1437 0.1821 0.1854 -0.0100 0.0007 -0.0044 122 VAL B O 3372 C CB . VAL B 41 ? 0.1441 0.1789 0.1847 -0.0072 0.0008 -0.0052 122 VAL B CB 3373 C CG1 . VAL B 41 ? 0.1452 0.1821 0.1875 -0.0056 0.0002 -0.0050 122 VAL B CG1 3374 C CG2 . VAL B 41 ? 0.1443 0.1765 0.1836 -0.0069 0.0014 -0.0058 122 VAL B CG2 3375 N N . SER B 42 ? 0.1474 0.1890 0.1921 -0.0074 0.0015 -0.0047 123 SER B N 3376 C CA . SER B 42 ? 0.1505 0.1959 0.1973 -0.0079 0.0011 -0.0041 123 SER B CA 3377 C C . SER B 42 ? 0.1607 0.2087 0.2097 -0.0058 0.0013 -0.0041 123 SER B C 3378 O O . SER B 42 ? 0.1617 0.2087 0.2104 -0.0045 0.0022 -0.0047 123 SER B O 3379 C CB . SER B 42 ? 0.1476 0.1937 0.1941 -0.0094 0.0019 -0.0040 123 SER B CB 3380 O OG . SER B 42 ? 0.1435 0.1932 0.1918 -0.0106 0.0013 -0.0034 123 SER B OG 3381 N N . CYS B 43 ? 0.1688 0.2204 0.2203 -0.0055 0.0005 -0.0035 124 CYS B N 3382 C CA . CYS B 43 ? 0.1788 0.2330 0.2326 -0.0032 0.0007 -0.0036 124 CYS B CA 3383 C C . CYS B 43 ? 0.1782 0.2377 0.2353 -0.0034 0.0013 -0.0032 124 CYS B C 3384 O O . CYS B 43 ? 0.1729 0.2349 0.2312 -0.0053 0.0005 -0.0026 124 CYS B O 3385 C CB . CYS B 43 ? 0.1902 0.2439 0.2443 -0.0018 -0.0009 -0.0032 124 CYS B CB 3386 S SG . CYS B 43 ? 0.2042 0.2519 0.2541 -0.0025 -0.0017 -0.0034 124 CYS B SG 3387 N N . ASP B 44 ? 0.1827 0.2439 0.2412 -0.0017 0.0027 -0.0036 125 ASP B N 3388 C CA . ASP B 44 ? 0.1912 0.2581 0.2534 -0.0014 0.0034 -0.0033 125 ASP B CA 3389 C C . ASP B 44 ? 0.1913 0.2610 0.2563 0.0007 0.0022 -0.0028 125 ASP B C 3390 O O . ASP B 44 ? 0.1851 0.2516 0.2485 0.0017 0.0008 -0.0027 125 ASP B O 3391 C CB . ASP B 44 ? 0.2009 0.2681 0.2630 -0.0004 0.0057 -0.0039 125 ASP B CB 3392 C CG . ASP B 44 ? 0.2101 0.2753 0.2714 0.0027 0.0062 -0.0045 125 ASP B CG 3393 O OD1 . ASP B 44 ? 0.2174 0.2830 0.2799 0.0046 0.0052 -0.0043 125 ASP B OD1 3394 O OD2 . ASP B 44 ? 0.2302 0.2932 0.2896 0.0031 0.0077 -0.0052 125 ASP B OD2 3395 N N . PRO B 45 ? 0.1936 0.2693 0.2629 0.0015 0.0026 -0.0024 126 PRO B N 3396 C CA . PRO B 45 ? 0.2000 0.2789 0.2724 0.0036 0.0011 -0.0018 126 PRO B CA 3397 C C . PRO B 45 ? 0.2108 0.2860 0.2817 0.0070 0.0010 -0.0022 126 PRO B C 3398 O O . PRO B 45 ? 0.2214 0.2966 0.2929 0.0085 -0.0009 -0.0017 126 PRO B O 3399 C CB . PRO B 45 ? 0.2004 0.2866 0.2779 0.0041 0.0023 -0.0015 126 PRO B CB 3400 C CG . PRO B 45 ? 0.1985 0.2859 0.2755 0.0006 0.0033 -0.0015 126 PRO B CG 3401 C CD . PRO B 45 ? 0.1959 0.2763 0.2676 0.0000 0.0042 -0.0023 126 PRO B CD 3402 N N . GLY B 46 ? 0.2163 0.2881 0.2846 0.0081 0.0028 -0.0031 127 GLY B N 3403 C CA . GLY B 46 ? 0.2237 0.2913 0.2898 0.0111 0.0029 -0.0036 127 GLY B CA 3404 C C . GLY B 46 ? 0.2271 0.2879 0.2883 0.0103 0.0021 -0.0040 127 GLY B C 3405 O O . GLY B 46 ? 0.2337 0.2911 0.2931 0.0119 0.0010 -0.0040 127 GLY B O 3406 N N . LYS B 47 ? 0.2256 0.2841 0.2846 0.0078 0.0027 -0.0043 128 LYS B N 3407 C CA . LYS B 47 ? 0.2342 0.2868 0.2890 0.0071 0.0021 -0.0047 128 LYS B CA 3408 C C . LYS B 47 ? 0.2127 0.2640 0.2660 0.0041 0.0021 -0.0048 128 LYS B C 3409 O O . LYS B 47 ? 0.2005 0.2545 0.2552 0.0025 0.0027 -0.0046 128 LYS B O 3410 C CB . LYS B 47 ? 0.2575 0.3066 0.3098 0.0087 0.0034 -0.0056 128 LYS B CB 3411 C CG . LYS B 47 ? 0.2773 0.3276 0.3298 0.0083 0.0053 -0.0061 128 LYS B CG 3412 C CD . LYS B 47 ? 0.3030 0.3526 0.3549 0.0110 0.0066 -0.0066 128 LYS B CD 3413 C CE . LYS B 47 ? 0.3187 0.3652 0.3675 0.0105 0.0080 -0.0074 128 LYS B CE 3414 N NZ . LYS B 47 ? 0.3337 0.3818 0.3829 0.0081 0.0086 -0.0073 128 LYS B NZ 3415 N N . CYS B 48 ? 0.2010 0.2477 0.2512 0.0034 0.0015 -0.0050 129 CYS B N 3416 C CA . CYS B 48 ? 0.1924 0.2374 0.2411 0.0010 0.0013 -0.0050 129 CYS B CA 3417 C C . CYS B 48 ? 0.1792 0.2219 0.2261 0.0006 0.0025 -0.0057 129 CYS B C 3418 O O . CYS B 48 ? 0.1741 0.2149 0.2197 0.0018 0.0029 -0.0062 129 CYS B O 3419 C CB . CYS B 48 ? 0.2005 0.2424 0.2472 0.0004 0.0000 -0.0048 129 CYS B CB 3420 S SG . CYS B 48 ? 0.2098 0.2542 0.2582 0.0004 -0.0018 -0.0039 129 CYS B SG 3421 N N . TYR B 49 ? 0.1677 0.2104 0.2143 -0.0013 0.0027 -0.0057 130 TYR B N 3422 C CA . TYR B 49 ? 0.1616 0.2024 0.2067 -0.0018 0.0035 -0.0062 130 TYR B CA 3423 C C . TYR B 49 ? 0.1542 0.1929 0.1980 -0.0033 0.0032 -0.0062 130 TYR B C 3424 O O . TYR B 49 ? 0.1493 0.1884 0.1933 -0.0044 0.0027 -0.0058 130 TYR B O 3425 C CB . TYR B 49 ? 0.1660 0.2088 0.2118 -0.0024 0.0045 -0.0061 130 TYR B CB 3426 C CG . TYR B 49 ? 0.1747 0.2195 0.2217 -0.0009 0.0053 -0.0062 130 TYR B CG 3427 C CD1 . TYR B 49 ? 0.1832 0.2316 0.2327 -0.0003 0.0053 -0.0058 130 TYR B CD1 3428 C CD2 . TYR B 49 ? 0.1810 0.2242 0.2265 -0.0002 0.0062 -0.0067 130 TYR B CD2 3429 C CE1 . TYR B 49 ? 0.1920 0.2424 0.2427 0.0012 0.0063 -0.0060 130 TYR B CE1 3430 C CE2 . TYR B 49 ? 0.1918 0.2364 0.2378 0.0012 0.0072 -0.0070 130 TYR B CE2 3431 C CZ . TYR B 49 ? 0.1965 0.2449 0.2453 0.0020 0.0074 -0.0066 130 TYR B CZ 3432 O OH . TYR B 49 ? 0.2215 0.2714 0.2710 0.0036 0.0088 -0.0069 130 TYR B OH 3433 N N . GLN B 50 ? 0.1461 0.1825 0.1886 -0.0033 0.0034 -0.0066 131 GLN B N 3434 C CA . GLN B 50 ? 0.1426 0.1775 0.1843 -0.0044 0.0034 -0.0067 131 GLN B CA 3435 C C . GLN B 50 ? 0.1397 0.1748 0.1813 -0.0048 0.0040 -0.0068 131 GLN B C 3436 O O . GLN B 50 ? 0.1379 0.1733 0.1795 -0.0042 0.0043 -0.0069 131 GLN B O 3437 C CB . GLN B 50 ? 0.1449 0.1777 0.1856 -0.0044 0.0032 -0.0071 131 GLN B CB 3438 C CG . GLN B 50 ? 0.1465 0.1785 0.1866 -0.0037 0.0033 -0.0074 131 GLN B CG 3439 C CD . GLN B 50 ? 0.1512 0.1813 0.1903 -0.0041 0.0030 -0.0077 131 GLN B CD 3440 O OE1 . GLN B 50 ? 0.1540 0.1827 0.1920 -0.0039 0.0026 -0.0077 131 GLN B OE1 3441 N NE2 . GLN B 50 ? 0.1522 0.1821 0.1915 -0.0048 0.0032 -0.0079 131 GLN B NE2 3442 N N . PHE B 51 ? 0.1350 0.1696 0.1763 -0.0058 0.0041 -0.0066 132 PHE B N 3443 C CA . PHE B 51 ? 0.1331 0.1672 0.1738 -0.0062 0.0045 -0.0066 132 PHE B CA 3444 C C . PHE B 51 ? 0.1308 0.1632 0.1710 -0.0063 0.0047 -0.0068 132 PHE B C 3445 O O . PHE B 51 ? 0.1304 0.1622 0.1705 -0.0067 0.0046 -0.0069 132 PHE B O 3446 C CB . PHE B 51 ? 0.1348 0.1694 0.1752 -0.0073 0.0047 -0.0062 132 PHE B CB 3447 C CG . PHE B 51 ? 0.1352 0.1722 0.1765 -0.0074 0.0047 -0.0059 132 PHE B CG 3448 C CD1 . PHE B 51 ? 0.1363 0.1752 0.1790 -0.0072 0.0042 -0.0057 132 PHE B CD1 3449 C CD2 . PHE B 51 ? 0.1376 0.1753 0.1786 -0.0076 0.0053 -0.0058 132 PHE B CD2 3450 C CE1 . PHE B 51 ? 0.1366 0.1784 0.1808 -0.0071 0.0043 -0.0054 132 PHE B CE1 3451 C CE2 . PHE B 51 ? 0.1371 0.1776 0.1795 -0.0077 0.0056 -0.0056 132 PHE B CE2 3452 C CZ . PHE B 51 ? 0.1387 0.1815 0.1829 -0.0073 0.0052 -0.0054 132 PHE B CZ 3453 N N . ALA B 52 ? 0.1305 0.1623 0.1704 -0.0060 0.0048 -0.0069 133 ALA B N 3454 C CA . ALA B 52 ? 0.1304 0.1609 0.1702 -0.0060 0.0051 -0.0070 133 ALA B CA 3455 C C . ALA B 52 ? 0.1330 0.1627 0.1722 -0.0055 0.0051 -0.0069 133 ALA B C 3456 O O . ALA B 52 ? 0.1354 0.1654 0.1741 -0.0053 0.0049 -0.0067 133 ALA B O 3457 C CB . ALA B 52 ? 0.1296 0.1605 0.1705 -0.0056 0.0050 -0.0074 133 ALA B CB 3458 N N . LEU B 53 ? 0.1341 0.1625 0.1729 -0.0052 0.0055 -0.0069 134 LEU B N 3459 C CA . LEU B 53 ? 0.1365 0.1637 0.1745 -0.0045 0.0053 -0.0068 134 LEU B CA 3460 C C . LEU B 53 ? 0.1339 0.1623 0.1738 -0.0034 0.0048 -0.0069 134 LEU B C 3461 O O . LEU B 53 ? 0.1316 0.1608 0.1731 -0.0030 0.0051 -0.0072 134 LEU B O 3462 C CB . LEU B 53 ? 0.1406 0.1654 0.1771 -0.0044 0.0059 -0.0068 134 LEU B CB 3463 C CG . LEU B 53 ? 0.1426 0.1660 0.1769 -0.0059 0.0063 -0.0066 134 LEU B CG 3464 C CD1 . LEU B 53 ? 0.1483 0.1685 0.1804 -0.0059 0.0070 -0.0066 134 LEU B CD1 3465 C CD2 . LEU B 53 ? 0.1458 0.1692 0.1789 -0.0066 0.0059 -0.0062 134 LEU B CD2 3466 N N . GLY B 54 ? 0.1316 0.1603 0.1713 -0.0031 0.0040 -0.0067 135 GLY B N 3467 C CA . GLY B 54 ? 0.1288 0.1585 0.1699 -0.0023 0.0032 -0.0067 135 GLY B CA 3468 C C . GLY B 54 ? 0.1304 0.1594 0.1719 -0.0011 0.0030 -0.0066 135 GLY B C 3469 O O . GLY B 54 ? 0.1289 0.1557 0.1686 -0.0009 0.0035 -0.0064 135 GLY B O 3470 N N . GLN B 55 ? 0.1293 0.1601 0.1731 -0.0003 0.0023 -0.0066 136 GLN B N 3471 C CA . GLN B 55 ? 0.1316 0.1623 0.1763 0.0012 0.0019 -0.0063 136 GLN B CA 3472 C C . GLN B 55 ? 0.1313 0.1619 0.1756 0.0018 0.0002 -0.0058 136 GLN B C 3473 O O . GLN B 55 ? 0.1335 0.1650 0.1794 0.0032 -0.0007 -0.0056 136 GLN B O 3474 C CB . GLN B 55 ? 0.1323 0.1657 0.1805 0.0018 0.0025 -0.0066 136 GLN B CB 3475 C CG . GLN B 55 ? 0.1341 0.1667 0.1819 0.0015 0.0043 -0.0071 136 GLN B CG 3476 C CD . GLN B 55 ? 0.1399 0.1699 0.1863 0.0028 0.0050 -0.0070 136 GLN B CD 3477 O OE1 . GLN B 55 ? 0.1483 0.1765 0.1933 0.0038 0.0042 -0.0066 136 GLN B OE1 3478 N NE2 . GLN B 55 ? 0.1415 0.1706 0.1876 0.0026 0.0066 -0.0074 136 GLN B NE2 3479 N N . GLY B 56 ? 0.1297 0.1591 0.1716 0.0008 -0.0003 -0.0057 137 GLY B N 3480 C CA . GLY B 56 ? 0.1329 0.1614 0.1734 0.0010 -0.0020 -0.0053 137 GLY B CA 3481 C C . GLY B 56 ? 0.1316 0.1628 0.1747 0.0011 -0.0033 -0.0053 137 GLY B C 3482 O O . GLY B 56 ? 0.1329 0.1638 0.1755 0.0017 -0.0050 -0.0048 137 GLY B O 3483 N N . THR B 57 ? 0.1319 0.1655 0.1772 0.0003 -0.0028 -0.0057 138 THR B N 3484 C CA . THR B 57 ? 0.1318 0.1683 0.1797 0.0000 -0.0040 -0.0057 138 THR B CA 3485 C C . THR B 57 ? 0.1325 0.1701 0.1810 -0.0014 -0.0032 -0.0063 138 THR B C 3486 O O . THR B 57 ? 0.1293 0.1663 0.1775 -0.0017 -0.0017 -0.0066 138 THR B O 3487 C CB . THR B 57 ? 0.1320 0.1713 0.1837 0.0013 -0.0043 -0.0055 138 THR B CB 3488 O OG1 . THR B 57 ? 0.1321 0.1746 0.1865 0.0006 -0.0057 -0.0054 138 THR B OG1 3489 C CG2 . THR B 57 ? 0.1316 0.1718 0.1851 0.0016 -0.0023 -0.0059 138 THR B CG2 3490 N N . THR B 58 ? 0.1346 0.1735 0.1838 -0.0024 -0.0044 -0.0063 139 THR B N 3491 C CA . THR B 58 ? 0.1357 0.1757 0.1857 -0.0038 -0.0038 -0.0067 139 THR B CA 3492 C C . THR B 58 ? 0.1385 0.1822 0.1927 -0.0037 -0.0035 -0.0068 139 THR B C 3493 O O . THR B 58 ? 0.1357 0.1813 0.1923 -0.0024 -0.0039 -0.0064 139 THR B O 3494 C CB . THR B 58 ? 0.1384 0.1776 0.1865 -0.0052 -0.0053 -0.0067 139 THR B CB 3495 O OG1 . THR B 58 ? 0.1393 0.1798 0.1884 -0.0050 -0.0072 -0.0062 139 THR B OG1 3496 C CG2 . THR B 58 ? 0.1404 0.1759 0.1843 -0.0053 -0.0050 -0.0069 139 THR B CG2 3497 N N . LEU B 59 ? 0.1408 0.1854 0.1957 -0.0051 -0.0026 -0.0072 140 LEU B N 3498 C CA . LEU B 59 ? 0.1413 0.1894 0.2000 -0.0052 -0.0018 -0.0074 140 LEU B CA 3499 C C . LEU B 59 ? 0.1442 0.1960 0.2060 -0.0059 -0.0034 -0.0070 140 LEU B C 3500 O O . LEU B 59 ? 0.1440 0.1993 0.2097 -0.0048 -0.0034 -0.0068 140 LEU B O 3501 C CB . LEU B 59 ? 0.1406 0.1880 0.1985 -0.0067 -0.0004 -0.0079 140 LEU B CB 3502 C CG . LEU B 59 ? 0.1390 0.1895 0.2002 -0.0071 0.0010 -0.0081 140 LEU B CG 3503 C CD1 . LEU B 59 ? 0.1431 0.1912 0.2023 -0.0077 0.0029 -0.0086 140 LEU B CD1 3504 C CD2 . LEU B 59 ? 0.1419 0.1954 0.2053 -0.0089 0.0003 -0.0081 140 LEU B CD2 3505 N N . ASP B 60 ? 0.1474 0.1983 0.2073 -0.0076 -0.0048 -0.0070 141 ASP B N 3506 C CA . ASP B 60 ? 0.1524 0.2066 0.2148 -0.0086 -0.0067 -0.0066 141 ASP B CA 3507 C C . ASP B 60 ? 0.1508 0.2046 0.2128 -0.0072 -0.0088 -0.0060 141 ASP B C 3508 O O . ASP B 60 ? 0.1500 0.2011 0.2085 -0.0080 -0.0103 -0.0058 141 ASP B O 3509 C CB . ASP B 60 ? 0.1612 0.2138 0.2210 -0.0112 -0.0075 -0.0069 141 ASP B CB 3510 C CG . ASP B 60 ? 0.1724 0.2291 0.2352 -0.0129 -0.0091 -0.0066 141 ASP B CG 3511 O OD1 . ASP B 60 ? 0.1818 0.2429 0.2490 -0.0119 -0.0100 -0.0061 141 ASP B OD1 3512 O OD2 . ASP B 60 ? 0.1854 0.2409 0.2462 -0.0154 -0.0095 -0.0068 141 ASP B OD2 3513 N N . ASN B 61 ? 0.1472 0.2031 0.2121 -0.0051 -0.0086 -0.0057 142 ASN B N 3514 C CA . ASN B 61 ? 0.1465 0.2010 0.2103 -0.0032 -0.0101 -0.0051 142 ASN B CA 3515 C C . ASN B 61 ? 0.1476 0.2054 0.2159 -0.0010 -0.0096 -0.0048 142 ASN B C 3516 O O . ASN B 61 ? 0.1436 0.2017 0.2130 -0.0003 -0.0073 -0.0053 142 ASN B O 3517 C CB . ASN B 61 ? 0.1448 0.1941 0.2039 -0.0026 -0.0090 -0.0053 142 ASN B CB 3518 C CG . ASN B 61 ? 0.1461 0.1927 0.2026 -0.0013 -0.0105 -0.0047 142 ASN B CG 3519 O OD1 . ASN B 61 ? 0.1432 0.1914 0.2018 0.0003 -0.0115 -0.0041 142 ASN B OD1 3520 N ND2 . ASN B 61 ? 0.1468 0.1892 0.1985 -0.0019 -0.0104 -0.0048 142 ASN B ND2 3521 N N . LYS B 62 ? 0.1557 0.2157 0.2262 0.0003 -0.0117 -0.0041 143 LYS B N 3522 C CA . LYS B 62 ? 0.1591 0.2222 0.2339 0.0029 -0.0112 -0.0038 143 LYS B CA 3523 C C . LYS B 62 ? 0.1579 0.2170 0.2302 0.0050 -0.0095 -0.0040 143 LYS B C 3524 O O . LYS B 62 ? 0.1535 0.2142 0.2285 0.0070 -0.0080 -0.0041 143 LYS B O 3525 C CB . LYS B 62 ? 0.1727 0.2386 0.2500 0.0041 -0.0142 -0.0029 143 LYS B CB 3526 C CG . LYS B 62 ? 0.1818 0.2534 0.2635 0.0021 -0.0156 -0.0027 143 LYS B CG 3527 C CD . LYS B 62 ? 0.2001 0.2747 0.2843 0.0032 -0.0189 -0.0017 143 LYS B CD 3528 C CE . LYS B 62 ? 0.2093 0.2902 0.2983 0.0010 -0.0204 -0.0015 143 LYS B CE 3529 N NZ . LYS B 62 ? 0.2264 0.3114 0.3191 0.0023 -0.0236 -0.0004 143 LYS B NZ 3530 N N . HIS B 63 ? 0.1540 0.2077 0.2207 0.0045 -0.0094 -0.0040 144 HIS B N 3531 C CA . HIS B 63 ? 0.1555 0.2052 0.2194 0.0059 -0.0079 -0.0042 144 HIS B CA 3532 C C . HIS B 63 ? 0.1553 0.2046 0.2193 0.0053 -0.0050 -0.0050 144 HIS B C 3533 O O . HIS B 63 ? 0.1567 0.2029 0.2184 0.0063 -0.0036 -0.0051 144 HIS B O 3534 C CB . HIS B 63 ? 0.1558 0.2003 0.2140 0.0053 -0.0086 -0.0040 144 HIS B CB 3535 C CG . HIS B 63 ? 0.1546 0.1981 0.2115 0.0059 -0.0113 -0.0032 144 HIS B CG 3536 N ND1 . HIS B 63 ? 0.1542 0.1982 0.2102 0.0043 -0.0132 -0.0029 144 HIS B ND1 3537 C CD2 . HIS B 63 ? 0.1582 0.1997 0.2138 0.0079 -0.0125 -0.0025 144 HIS B CD2 3538 C CE1 . HIS B 63 ? 0.1578 0.2004 0.2122 0.0051 -0.0155 -0.0021 144 HIS B CE1 3539 N NE2 . HIS B 63 ? 0.1589 0.1999 0.2131 0.0074 -0.0151 -0.0018 144 HIS B NE2 3540 N N . SER B 64 ? 0.1562 0.2082 0.2221 0.0036 -0.0043 -0.0055 145 SER B N 3541 C CA . SER B 64 ? 0.1623 0.2140 0.2282 0.0030 -0.0018 -0.0062 145 SER B CA 3542 C C . SER B 64 ? 0.1780 0.2320 0.2473 0.0048 -0.0002 -0.0063 145 SER B C 3543 O O . SER B 64 ? 0.1811 0.2338 0.2496 0.0047 0.0020 -0.0069 145 SER B O 3544 C CB . SER B 64 ? 0.1587 0.2121 0.2252 0.0005 -0.0015 -0.0066 145 SER B CB 3545 O OG . SER B 64 ? 0.1537 0.2121 0.2248 0.0001 -0.0020 -0.0065 145 SER B OG 3546 N N . ASN B 65 ? 0.1951 0.2526 0.2682 0.0064 -0.0014 -0.0059 146 ASN B N 3547 C CA . ASN B 65 ? 0.2177 0.2779 0.2946 0.0085 0.0001 -0.0060 146 ASN B CA 3548 C C . ASN B 65 ? 0.2246 0.2802 0.2984 0.0104 0.0017 -0.0062 146 ASN B C 3549 O O . ASN B 65 ? 0.2242 0.2758 0.2945 0.0112 0.0006 -0.0058 146 ASN B O 3550 C CB . ASN B 65 ? 0.2372 0.3018 0.3186 0.0103 -0.0020 -0.0053 146 ASN B CB 3551 C CG . ASN B 65 ? 0.2618 0.3310 0.3486 0.0124 -0.0004 -0.0055 146 ASN B CG 3552 O OD1 . ASN B 65 ? 0.2596 0.3274 0.3459 0.0132 0.0023 -0.0062 146 ASN B OD1 3553 N ND2 . ASN B 65 ? 0.2898 0.3649 0.3820 0.0131 -0.0021 -0.0050 146 ASN B ND2 3554 N N . ASP B 66 ? 0.2364 0.2922 0.3110 0.0106 0.0043 -0.0069 147 ASP B N 3555 C CA . ASP B 66 ? 0.2449 0.2963 0.3165 0.0123 0.0061 -0.0072 147 ASP B CA 3556 C C . ASP B 66 ? 0.2433 0.2888 0.3089 0.0110 0.0060 -0.0072 147 ASP B C 3557 O O . ASP B 66 ? 0.2487 0.2898 0.3109 0.0123 0.0062 -0.0070 147 ASP B O 3558 C CB . ASP B 66 ? 0.2599 0.3113 0.3330 0.0157 0.0054 -0.0067 147 ASP B CB 3559 C CG . ASP B 66 ? 0.2668 0.3149 0.3381 0.0177 0.0079 -0.0072 147 ASP B CG 3560 O OD1 . ASP B 66 ? 0.2813 0.3286 0.3517 0.0166 0.0103 -0.0080 147 ASP B OD1 3561 O OD2 . ASP B 66 ? 0.2737 0.3194 0.3440 0.0205 0.0074 -0.0068 147 ASP B OD2 3562 N N . THR B 67 ? 0.2334 0.2789 0.2976 0.0083 0.0058 -0.0074 148 THR B N 3563 C CA . THR B 67 ? 0.2275 0.2685 0.2868 0.0068 0.0059 -0.0074 148 THR B CA 3564 C C . THR B 67 ? 0.2351 0.2735 0.2922 0.0062 0.0082 -0.0080 148 THR B C 3565 O O . THR B 67 ? 0.2269 0.2625 0.2807 0.0047 0.0084 -0.0081 148 THR B O 3566 C CB . THR B 67 ? 0.2208 0.2626 0.2795 0.0046 0.0047 -0.0073 148 THR B CB 3567 O OG1 . THR B 67 ? 0.2178 0.2634 0.2796 0.0035 0.0050 -0.0077 148 THR B OG1 3568 C CG2 . THR B 67 ? 0.2199 0.2617 0.2782 0.0050 0.0024 -0.0067 148 THR B CG2 3569 N N . VAL B 68 ? 0.2445 0.2840 0.3036 0.0075 0.0100 -0.0084 149 VAL B N 3570 C CA . VAL B 68 ? 0.2519 0.2882 0.3082 0.0070 0.0122 -0.0090 149 VAL B CA 3571 C C . VAL B 68 ? 0.2630 0.2938 0.3145 0.0076 0.0122 -0.0088 149 VAL B C 3572 O O . VAL B 68 ? 0.2562 0.2834 0.3040 0.0064 0.0132 -0.0091 149 VAL B O 3573 C CB . VAL B 68 ? 0.2559 0.2943 0.3150 0.0084 0.0144 -0.0096 149 VAL B CB 3574 C CG1 . VAL B 68 ? 0.2638 0.3017 0.3239 0.0116 0.0145 -0.0094 149 VAL B CG1 3575 C CG2 . VAL B 68 ? 0.2590 0.2941 0.3148 0.0071 0.0167 -0.0102 149 VAL B CG2 3576 N N . HIS B 69 ? 0.2710 0.3009 0.3223 0.0094 0.0108 -0.0083 150 HIS B N 3577 C CA . HIS B 69 ? 0.2792 0.3035 0.3257 0.0100 0.0108 -0.0081 150 HIS B CA 3578 C C . HIS B 69 ? 0.2683 0.2900 0.3110 0.0074 0.0101 -0.0079 150 HIS B C 3579 O O . HIS B 69 ? 0.2542 0.2781 0.2979 0.0061 0.0088 -0.0076 150 HIS B O 3580 C CB . HIS B 69 ? 0.2958 0.3195 0.3427 0.0123 0.0093 -0.0074 150 HIS B CB 3581 C CG . HIS B 69 ? 0.3137 0.3400 0.3644 0.0152 0.0099 -0.0076 150 HIS B CG 3582 N ND1 . HIS B 69 ? 0.3314 0.3554 0.3812 0.0169 0.0121 -0.0081 150 HIS B ND1 3583 C CD2 . HIS B 69 ? 0.3189 0.3502 0.3747 0.0168 0.0088 -0.0072 150 HIS B CD2 3584 C CE1 . HIS B 69 ? 0.3317 0.3594 0.3861 0.0196 0.0124 -0.0081 150 HIS B CE1 3585 N NE2 . HIS B 69 ? 0.3259 0.3583 0.3843 0.0195 0.0103 -0.0075 150 HIS B NE2 3586 N N . ASP B 70 ? 0.2606 0.2775 0.2988 0.0068 0.0110 -0.0080 151 ASP B N 3587 C CA . ASP B 70 ? 0.2596 0.2745 0.2946 0.0042 0.0105 -0.0078 151 ASP B CA 3588 C C . ASP B 70 ? 0.2402 0.2535 0.2730 0.0038 0.0090 -0.0072 151 ASP B C 3589 O O . ASP B 70 ? 0.2326 0.2466 0.2648 0.0019 0.0083 -0.0070 151 ASP B O 3590 C CB . ASP B 70 ? 0.2779 0.2884 0.3087 0.0033 0.0120 -0.0082 151 ASP B CB 3591 C CG . ASP B 70 ? 0.2936 0.3052 0.3257 0.0030 0.0136 -0.0088 151 ASP B CG 3592 O OD1 . ASP B 70 ? 0.2909 0.3062 0.3256 0.0018 0.0133 -0.0089 151 ASP B OD1 3593 O OD2 . ASP B 70 ? 0.3195 0.3281 0.3496 0.0039 0.0152 -0.0093 151 ASP B OD2 3594 N N . ARG B 71 ? 0.2223 0.2332 0.2539 0.0057 0.0085 -0.0068 152 ARG B N 3595 C CA . ARG B 71 ? 0.2126 0.2207 0.2409 0.0051 0.0073 -0.0062 152 ARG B CA 3596 C C . ARG B 71 ? 0.2114 0.2201 0.2409 0.0071 0.0058 -0.0057 152 ARG B C 3597 O O . ARG B 71 ? 0.2221 0.2292 0.2517 0.0096 0.0059 -0.0057 152 ARG B O 3598 C CB . ARG B 71 ? 0.2141 0.2161 0.2369 0.0046 0.0081 -0.0062 152 ARG B CB 3599 C CG . ARG B 71 ? 0.2098 0.2108 0.2308 0.0023 0.0092 -0.0066 152 ARG B CG 3600 C CD . ARG B 71 ? 0.2141 0.2087 0.2294 0.0016 0.0100 -0.0066 152 ARG B CD 3601 N NE . ARG B 71 ? 0.2127 0.2042 0.2269 0.0044 0.0109 -0.0069 152 ARG B NE 3602 C CZ . ARG B 71 ? 0.2144 0.2060 0.2297 0.0055 0.0125 -0.0075 152 ARG B CZ 3603 N NH1 . ARG B 71 ? 0.2130 0.2075 0.2303 0.0039 0.0132 -0.0080 152 ARG B NH1 3604 N NH2 . ARG B 71 ? 0.2212 0.2101 0.2358 0.0083 0.0133 -0.0077 152 ARG B NH2 3605 N N . ILE B 72 ? 0.1941 0.2053 0.2248 0.0062 0.0045 -0.0054 153 ILE B N 3606 C CA . ILE B 72 ? 0.1869 0.1979 0.2177 0.0075 0.0028 -0.0048 153 ILE B CA 3607 C C . ILE B 72 ? 0.1834 0.1929 0.2111 0.0054 0.0020 -0.0044 153 ILE B C 3608 O O . ILE B 72 ? 0.1759 0.1866 0.2034 0.0033 0.0027 -0.0047 153 ILE B O 3609 C CB . ILE B 72 ? 0.1814 0.1976 0.2173 0.0087 0.0017 -0.0048 153 ILE B CB 3610 C CG1 . ILE B 72 ? 0.1736 0.1936 0.2118 0.0066 0.0018 -0.0051 153 ILE B CG1 3611 C CG2 . ILE B 72 ? 0.1807 0.1988 0.2200 0.0109 0.0026 -0.0051 153 ILE B CG2 3612 C CD1 . ILE B 72 ? 0.1739 0.1984 0.2163 0.0072 0.0007 -0.0051 153 ILE B CD1 3613 N N . PRO B 73 ? 0.1838 0.1908 0.2090 0.0060 0.0006 -0.0038 154 PRO B N 3614 C CA . PRO B 73 ? 0.1823 0.1876 0.2041 0.0040 0.0002 -0.0035 154 PRO B CA 3615 C C . PRO B 73 ? 0.1733 0.1825 0.1973 0.0027 -0.0001 -0.0037 154 PRO B C 3616 O O . PRO B 73 ? 0.1687 0.1771 0.1904 0.0008 0.0002 -0.0036 154 PRO B O 3617 C CB . PRO B 73 ? 0.1906 0.1923 0.2094 0.0053 -0.0013 -0.0028 154 PRO B CB 3618 C CG . PRO B 73 ? 0.1944 0.1954 0.2146 0.0082 -0.0016 -0.0027 154 PRO B CG 3619 C CD . PRO B 73 ? 0.1887 0.1946 0.2142 0.0087 -0.0006 -0.0033 154 PRO B CD 3620 N N . HIS B 74 ? 0.1664 0.1797 0.1948 0.0035 -0.0004 -0.0039 155 HIS B N 3621 C CA . HIS B 74 ? 0.1594 0.1759 0.1897 0.0026 -0.0010 -0.0041 155 HIS B CA 3622 C C . HIS B 74 ? 0.1533 0.1723 0.1853 0.0011 0.0004 -0.0047 155 HIS B C 3623 O O . HIS B 74 ? 0.1544 0.1754 0.1873 0.0003 0.0002 -0.0049 155 HIS B O 3624 C CB . HIS B 74 ? 0.1584 0.1777 0.1920 0.0040 -0.0024 -0.0040 155 HIS B CB 3625 C CG . HIS B 74 ? 0.1631 0.1802 0.1956 0.0058 -0.0038 -0.0033 155 HIS B CG 3626 N ND1 . HIS B 74 ? 0.1676 0.1810 0.1958 0.0055 -0.0049 -0.0028 155 HIS B ND1 3627 C CD2 . HIS B 74 ? 0.1647 0.1823 0.1992 0.0081 -0.0043 -0.0031 155 HIS B CD2 3628 C CE1 . HIS B 74 ? 0.1717 0.1833 0.1993 0.0075 -0.0062 -0.0022 155 HIS B CE1 3629 N NE2 . HIS B 74 ? 0.1682 0.1825 0.1999 0.0092 -0.0058 -0.0024 155 HIS B NE2 3630 N N . ARG B 75 ? 0.1496 0.1680 0.1816 0.0009 0.0016 -0.0050 156 ARG B N 3631 C CA . ARG B 75 ? 0.1438 0.1641 0.1770 -0.0004 0.0027 -0.0054 156 ARG B CA 3632 C C . ARG B 75 ? 0.1446 0.1643 0.1755 -0.0021 0.0030 -0.0053 156 ARG B C 3633 O O . ARG B 75 ? 0.1467 0.1635 0.1744 -0.0027 0.0031 -0.0050 156 ARG B O 3634 C CB . ARG B 75 ? 0.1436 0.1629 0.1767 -0.0004 0.0039 -0.0057 156 ARG B CB 3635 C CG . ARG B 75 ? 0.1420 0.1623 0.1776 0.0013 0.0040 -0.0059 156 ARG B CG 3636 C CD . ARG B 75 ? 0.1424 0.1628 0.1785 0.0009 0.0054 -0.0064 156 ARG B CD 3637 N NE . ARG B 75 ? 0.1365 0.1599 0.1749 -0.0001 0.0057 -0.0067 156 ARG B NE 3638 C CZ . ARG B 75 ? 0.1382 0.1619 0.1770 -0.0007 0.0068 -0.0071 156 ARG B CZ 3639 N NH1 . ARG B 75 ? 0.1415 0.1628 0.1788 -0.0003 0.0078 -0.0073 156 ARG B NH1 3640 N NH2 . ARG B 75 ? 0.1346 0.1606 0.1751 -0.0016 0.0067 -0.0074 156 ARG B NH2 3641 N N . THR B 76 ? 0.1404 0.1626 0.1729 -0.0028 0.0031 -0.0056 157 THR B N 3642 C CA . THR B 76 ? 0.1394 0.1620 0.1707 -0.0041 0.0036 -0.0055 157 THR B CA 3643 C C . THR B 76 ? 0.1368 0.1619 0.1702 -0.0047 0.0042 -0.0059 157 THR B C 3644 O O . THR B 76 ? 0.1331 0.1596 0.1686 -0.0042 0.0040 -0.0062 157 THR B O 3645 C CB . THR B 76 ? 0.1404 0.1632 0.1710 -0.0040 0.0030 -0.0055 157 THR B CB 3646 O OG1 . THR B 76 ? 0.1436 0.1682 0.1765 -0.0033 0.0023 -0.0057 157 THR B OG1 3647 C CG2 . THR B 76 ? 0.1433 0.1632 0.1712 -0.0036 0.0022 -0.0050 157 THR B CG2 3648 N N . LEU B 77 ? 0.1377 0.1633 0.1704 -0.0059 0.0048 -0.0058 158 LEU B N 3649 C CA . LEU B 77 ? 0.1392 0.1671 0.1738 -0.0063 0.0051 -0.0060 158 LEU B CA 3650 C C . LEU B 77 ? 0.1401 0.1697 0.1758 -0.0057 0.0050 -0.0062 158 LEU B C 3651 O O . LEU B 77 ? 0.1476 0.1771 0.1822 -0.0058 0.0052 -0.0062 158 LEU B O 3652 C CB . LEU B 77 ? 0.1389 0.1673 0.1727 -0.0077 0.0057 -0.0057 158 LEU B CB 3653 C CG . LEU B 77 ? 0.1396 0.1705 0.1752 -0.0082 0.0058 -0.0058 158 LEU B CG 3654 C CD1 . LEU B 77 ? 0.1390 0.1695 0.1754 -0.0080 0.0056 -0.0060 158 LEU B CD1 3655 C CD2 . LEU B 77 ? 0.1419 0.1738 0.1771 -0.0098 0.0062 -0.0054 158 LEU B CD2 3656 N N . LEU B 78 ? 0.1390 0.1696 0.1763 -0.0053 0.0048 -0.0065 159 LEU B N 3657 C CA . LEU B 78 ? 0.1384 0.1700 0.1763 -0.0047 0.0046 -0.0068 159 LEU B CA 3658 C C . LEU B 78 ? 0.1387 0.1718 0.1775 -0.0049 0.0050 -0.0068 159 LEU B C 3659 O O . LEU B 78 ? 0.1375 0.1711 0.1770 -0.0054 0.0050 -0.0067 159 LEU B O 3660 C CB . LEU B 78 ? 0.1370 0.1684 0.1758 -0.0043 0.0040 -0.0071 159 LEU B CB 3661 C CG . LEU B 78 ? 0.1372 0.1678 0.1760 -0.0039 0.0034 -0.0070 159 LEU B CG 3662 C CD1 . LEU B 78 ? 0.1387 0.1700 0.1790 -0.0038 0.0029 -0.0072 159 LEU B CD1 3663 C CD2 . LEU B 78 ? 0.1403 0.1699 0.1774 -0.0037 0.0030 -0.0068 159 LEU B CD2 3664 N N . MET B 79 ? 0.1414 0.1752 0.1801 -0.0044 0.0052 -0.0070 160 MET B N 3665 C CA . MET B 79 ? 0.1446 0.1803 0.1846 -0.0041 0.0055 -0.0069 160 MET B CA 3666 C C . MET B 79 ? 0.1485 0.1837 0.1881 -0.0030 0.0056 -0.0073 160 MET B C 3667 O O . MET B 79 ? 0.1501 0.1848 0.1885 -0.0026 0.0060 -0.0075 160 MET B O 3668 C CB . MET B 79 ? 0.1481 0.1855 0.1884 -0.0047 0.0063 -0.0066 160 MET B CB 3669 C CG . MET B 79 ? 0.1517 0.1918 0.1938 -0.0042 0.0066 -0.0065 160 MET B CG 3670 S SD . MET B 79 ? 0.1569 0.1998 0.1998 -0.0052 0.0076 -0.0062 160 MET B SD 3671 C CE . MET B 79 ? 0.1573 0.2041 0.2033 -0.0042 0.0076 -0.0060 160 MET B CE 3672 N N . ASN B 80 ? 0.1495 0.1846 0.1897 -0.0025 0.0051 -0.0074 161 ASN B N 3673 C CA . ASN B 80 ? 0.1542 0.1883 0.1936 -0.0014 0.0051 -0.0078 161 ASN B CA 3674 C C . ASN B 80 ? 0.1543 0.1896 0.1950 -0.0007 0.0049 -0.0076 161 ASN B C 3675 O O . ASN B 80 ? 0.1490 0.1855 0.1908 -0.0014 0.0046 -0.0072 161 ASN B O 3676 C CB . ASN B 80 ? 0.1591 0.1910 0.1974 -0.0016 0.0044 -0.0080 161 ASN B CB 3677 C CG . ASN B 80 ? 0.1655 0.1959 0.2023 -0.0019 0.0042 -0.0083 161 ASN B CG 3678 O OD1 . ASN B 80 ? 0.1772 0.2077 0.2132 -0.0017 0.0047 -0.0083 161 ASN B OD1 3679 N ND2 . ASN B 80 ? 0.1652 0.1943 0.2014 -0.0025 0.0035 -0.0084 161 ASN B ND2 3680 N N . GLU B 81 ? 0.1604 0.1950 0.2004 0.0007 0.0051 -0.0078 162 GLU B N 3681 C CA . GLU B 81 ? 0.1658 0.2008 0.2066 0.0016 0.0046 -0.0076 162 GLU B CA 3682 C C . GLU B 81 ? 0.1577 0.1907 0.1976 0.0007 0.0036 -0.0076 162 GLU B C 3683 O O . GLU B 81 ? 0.1531 0.1840 0.1915 -0.0001 0.0035 -0.0079 162 GLU B O 3684 C CB . GLU B 81 ? 0.1835 0.2170 0.2231 0.0035 0.0049 -0.0080 162 GLU B CB 3685 C CG . GLU B 81 ? 0.2015 0.2376 0.2424 0.0048 0.0061 -0.0080 162 GLU B CG 3686 C CD . GLU B 81 ? 0.2239 0.2589 0.2641 0.0072 0.0065 -0.0083 162 GLU B CD 3687 O OE1 . GLU B 81 ? 0.2443 0.2790 0.2850 0.0081 0.0055 -0.0080 162 GLU B OE1 3688 O OE2 . GLU B 81 ? 0.2419 0.2759 0.2807 0.0083 0.0076 -0.0087 162 GLU B OE2 3689 N N . LEU B 82 ? 0.1528 0.1866 0.1936 0.0006 0.0030 -0.0071 163 LEU B N 3690 C CA . LEU B 82 ? 0.1519 0.1836 0.1915 -0.0004 0.0022 -0.0071 163 LEU B CA 3691 C C . LEU B 82 ? 0.1513 0.1795 0.1884 0.0000 0.0019 -0.0074 163 LEU B C 3692 O O . LEU B 82 ? 0.1511 0.1782 0.1873 0.0015 0.0018 -0.0075 163 LEU B O 3693 C CB . LEU B 82 ? 0.1537 0.1864 0.1941 -0.0004 0.0014 -0.0065 163 LEU B CB 3694 C CG . LEU B 82 ? 0.1533 0.1835 0.1919 -0.0015 0.0007 -0.0064 163 LEU B CG 3695 C CD1 . LEU B 82 ? 0.1550 0.1850 0.1935 -0.0033 0.0012 -0.0066 163 LEU B CD1 3696 C CD2 . LEU B 82 ? 0.1574 0.1883 0.1964 -0.0014 -0.0004 -0.0058 163 LEU B CD2 3697 N N . GLY B 83 ? 0.1510 0.1777 0.1871 -0.0014 0.0019 -0.0077 164 GLY B N 3698 C CA . GLY B 83 ? 0.1517 0.1752 0.1853 -0.0016 0.0017 -0.0080 164 GLY B CA 3699 C C . GLY B 83 ? 0.1542 0.1769 0.1870 -0.0016 0.0020 -0.0085 164 GLY B C 3700 O O . GLY B 83 ? 0.1541 0.1741 0.1846 -0.0023 0.0017 -0.0088 164 GLY B O 3701 N N . VAL B 84 ? 0.1526 0.1773 0.1866 -0.0011 0.0025 -0.0085 165 VAL B N 3702 C CA . VAL B 84 ? 0.1542 0.1782 0.1873 -0.0014 0.0027 -0.0088 165 VAL B CA 3703 C C . VAL B 84 ? 0.1562 0.1817 0.1908 -0.0028 0.0025 -0.0087 165 VAL B C 3704 O O . VAL B 84 ? 0.1564 0.1841 0.1928 -0.0029 0.0029 -0.0085 165 VAL B O 3705 C CB . VAL B 84 ? 0.1553 0.1803 0.1885 -0.0002 0.0034 -0.0089 165 VAL B CB 3706 C CG1 . VAL B 84 ? 0.1579 0.1817 0.1896 -0.0008 0.0033 -0.0092 165 VAL B CG1 3707 C CG2 . VAL B 84 ? 0.1574 0.1812 0.1895 0.0015 0.0037 -0.0090 165 VAL B CG2 3708 N N . PRO B 85 ? 0.1563 0.1807 0.1902 -0.0040 0.0021 -0.0089 166 PRO B N 3709 C CA . PRO B 85 ? 0.1565 0.1827 0.1922 -0.0050 0.0020 -0.0088 166 PRO B CA 3710 C C . PRO B 85 ? 0.1548 0.1823 0.1912 -0.0046 0.0020 -0.0087 166 PRO B C 3711 O O . PRO B 85 ? 0.1544 0.1809 0.1893 -0.0040 0.0020 -0.0088 166 PRO B O 3712 C CB . PRO B 85 ? 0.1587 0.1838 0.1936 -0.0063 0.0015 -0.0090 166 PRO B CB 3713 C CG . PRO B 85 ? 0.1628 0.1851 0.1948 -0.0060 0.0011 -0.0093 166 PRO B CG 3714 C CD . PRO B 85 ? 0.1601 0.1816 0.1913 -0.0044 0.0016 -0.0092 166 PRO B CD 3715 N N . PHE B 86 ? 0.1563 0.1855 0.1946 -0.0049 0.0020 -0.0085 167 PHE B N 3716 C CA . PHE B 86 ? 0.1577 0.1876 0.1962 -0.0046 0.0019 -0.0083 167 PHE B CA 3717 C C . PHE B 86 ? 0.1631 0.1924 0.2009 -0.0049 0.0010 -0.0084 167 PHE B C 3718 O O . PHE B 86 ? 0.1557 0.1862 0.1949 -0.0053 0.0004 -0.0083 167 PHE B O 3719 C CB . PHE B 86 ? 0.1574 0.1887 0.1977 -0.0045 0.0023 -0.0081 167 PHE B CB 3720 C CG . PHE B 86 ? 0.1559 0.1874 0.1964 -0.0044 0.0030 -0.0080 167 PHE B CG 3721 C CD1 . PHE B 86 ? 0.1588 0.1903 0.1985 -0.0040 0.0033 -0.0078 167 PHE B CD1 3722 C CD2 . PHE B 86 ? 0.1562 0.1880 0.1976 -0.0049 0.0034 -0.0080 167 PHE B CD2 3723 C CE1 . PHE B 86 ? 0.1571 0.1893 0.1973 -0.0041 0.0038 -0.0076 167 PHE B CE1 3724 C CE2 . PHE B 86 ? 0.1575 0.1894 0.1987 -0.0050 0.0038 -0.0078 167 PHE B CE2 3725 C CZ . PHE B 86 ? 0.1581 0.1903 0.1989 -0.0047 0.0039 -0.0076 167 PHE B CZ 3726 N N . HIS B 87 ? 0.1680 0.1954 0.2033 -0.0048 0.0008 -0.0086 168 HIS B N 3727 C CA . HIS B 87 ? 0.1753 0.2014 0.2089 -0.0053 -0.0002 -0.0087 168 HIS B CA 3728 C C . HIS B 87 ? 0.1743 0.2002 0.2071 -0.0049 -0.0004 -0.0084 168 HIS B C 3729 O O . HIS B 87 ? 0.1750 0.2018 0.2086 -0.0042 0.0004 -0.0083 168 HIS B O 3730 C CB . HIS B 87 ? 0.1834 0.2067 0.2140 -0.0054 -0.0002 -0.0091 168 HIS B CB 3731 C CG . HIS B 87 ? 0.1895 0.2116 0.2185 -0.0041 0.0009 -0.0093 168 HIS B CG 3732 N ND1 . HIS B 87 ? 0.1975 0.2179 0.2241 -0.0037 0.0011 -0.0094 168 HIS B ND1 3733 C CD2 . HIS B 87 ? 0.1903 0.2130 0.2202 -0.0032 0.0019 -0.0093 168 HIS B CD2 3734 C CE1 . HIS B 87 ? 0.2000 0.2204 0.2262 -0.0025 0.0024 -0.0095 168 HIS B CE1 3735 N NE2 . HIS B 87 ? 0.1974 0.2193 0.2257 -0.0022 0.0027 -0.0094 168 HIS B NE2 3736 N N . LEU B 88 ? 0.1785 0.2030 0.2094 -0.0054 -0.0014 -0.0084 169 LEU B N 3737 C CA . LEU B 88 ? 0.1831 0.2071 0.2128 -0.0051 -0.0018 -0.0081 169 LEU B CA 3738 C C . LEU B 88 ? 0.1806 0.2028 0.2077 -0.0045 -0.0006 -0.0083 169 LEU B C 3739 O O . LEU B 88 ? 0.1857 0.2073 0.2116 -0.0044 -0.0006 -0.0080 169 LEU B O 3740 C CB . LEU B 88 ? 0.1927 0.2156 0.2209 -0.0060 -0.0036 -0.0079 169 LEU B CB 3741 C CG . LEU B 88 ? 0.2000 0.2257 0.2316 -0.0063 -0.0049 -0.0076 169 LEU B CG 3742 C CD1 . LEU B 88 ? 0.2103 0.2354 0.2406 -0.0074 -0.0070 -0.0073 169 LEU B CD1 3743 C CD2 . LEU B 88 ? 0.1999 0.2273 0.2336 -0.0053 -0.0048 -0.0071 169 LEU B CD2 3744 N N . GLY B 89 ? 0.1761 0.1976 0.2024 -0.0040 0.0005 -0.0087 170 GLY B N 3745 C CA . GLY B 89 ? 0.1761 0.1968 0.2008 -0.0033 0.0020 -0.0089 170 GLY B CA 3746 C C . GLY B 89 ? 0.1677 0.1911 0.1952 -0.0028 0.0031 -0.0087 170 GLY B C 3747 O O . GLY B 89 ? 0.1690 0.1928 0.1961 -0.0022 0.0045 -0.0088 170 GLY B O 3748 N N . THR B 90 ? 0.1623 0.1876 0.1925 -0.0031 0.0026 -0.0084 171 THR B N 3749 C CA . THR B 90 ? 0.1561 0.1835 0.1885 -0.0029 0.0034 -0.0081 171 THR B CA 3750 C C . THR B 90 ? 0.1561 0.1835 0.1877 -0.0031 0.0039 -0.0078 171 THR B C 3751 O O . THR B 90 ? 0.1519 0.1782 0.1825 -0.0035 0.0031 -0.0076 171 THR B O 3752 C CB . THR B 90 ? 0.1541 0.1828 0.1889 -0.0032 0.0029 -0.0080 171 THR B CB 3753 O OG1 . THR B 90 ? 0.1535 0.1819 0.1887 -0.0033 0.0026 -0.0082 171 THR B OG1 3754 C CG2 . THR B 90 ? 0.1519 0.1821 0.1882 -0.0033 0.0036 -0.0077 171 THR B CG2 3755 N N . ARG B 91 ? 0.1534 0.1822 0.1857 -0.0031 0.0051 -0.0077 172 ARG B N 3756 C CA . ARG B 91 ? 0.1583 0.1872 0.1897 -0.0037 0.0057 -0.0074 172 ARG B CA 3757 C C . ARG B 91 ? 0.1538 0.1831 0.1864 -0.0042 0.0053 -0.0070 172 ARG B C 3758 O O . ARG B 91 ? 0.1470 0.1778 0.1816 -0.0043 0.0054 -0.0070 172 ARG B O 3759 C CB . ARG B 91 ? 0.1648 0.1954 0.1966 -0.0036 0.0072 -0.0075 172 ARG B CB 3760 C CG . ARG B 91 ? 0.1743 0.2046 0.2046 -0.0046 0.0080 -0.0072 172 ARG B CG 3761 C CD . ARG B 91 ? 0.1853 0.2178 0.2161 -0.0046 0.0097 -0.0073 172 ARG B CD 3762 N NE . ARG B 91 ? 0.1933 0.2291 0.2275 -0.0045 0.0099 -0.0072 172 ARG B NE 3763 C CZ . ARG B 91 ? 0.2002 0.2382 0.2357 -0.0056 0.0103 -0.0068 172 ARG B CZ 3764 N NH1 . ARG B 91 ? 0.2088 0.2497 0.2473 -0.0055 0.0101 -0.0066 172 ARG B NH1 3765 N NH2 . ARG B 91 ? 0.2043 0.2414 0.2380 -0.0071 0.0107 -0.0065 172 ARG B NH2 3766 N N . GLN B 92 ? 0.1543 0.1819 0.1852 -0.0046 0.0049 -0.0067 173 GLN B N 3767 C CA . GLN B 92 ? 0.1567 0.1839 0.1877 -0.0050 0.0047 -0.0063 173 GLN B CA 3768 C C . GLN B 92 ? 0.1657 0.1931 0.1956 -0.0061 0.0058 -0.0061 173 GLN B C 3769 O O . GLN B 92 ? 0.1711 0.1971 0.1986 -0.0066 0.0061 -0.0059 173 GLN B O 3770 C CB . GLN B 92 ? 0.1555 0.1805 0.1851 -0.0047 0.0035 -0.0060 173 GLN B CB 3771 C CG . GLN B 92 ? 0.1515 0.1769 0.1825 -0.0039 0.0024 -0.0062 173 GLN B CG 3772 C CD . GLN B 92 ? 0.1531 0.1767 0.1828 -0.0035 0.0010 -0.0059 173 GLN B CD 3773 O OE1 . GLN B 92 ? 0.1485 0.1718 0.1789 -0.0030 0.0005 -0.0056 173 GLN B OE1 3774 N NE2 . GLN B 92 ? 0.1540 0.1765 0.1818 -0.0036 0.0003 -0.0059 173 GLN B NE2 3775 N N . VAL B 93 ? 0.1695 0.1988 0.2012 -0.0066 0.0063 -0.0060 174 VAL B N 3776 C CA . VAL B 93 ? 0.1778 0.2084 0.2093 -0.0078 0.0073 -0.0058 174 VAL B CA 3777 C C . VAL B 93 ? 0.1810 0.2093 0.2099 -0.0091 0.0074 -0.0054 174 VAL B C 3778 O O . VAL B 93 ? 0.1897 0.2184 0.2173 -0.0104 0.0083 -0.0052 174 VAL B O 3779 C CB . VAL B 93 ? 0.1861 0.2195 0.2203 -0.0080 0.0074 -0.0058 174 VAL B CB 3780 C CG1 . VAL B 93 ? 0.1969 0.2321 0.2313 -0.0096 0.0082 -0.0054 174 VAL B CG1 3781 C CG2 . VAL B 93 ? 0.1861 0.2214 0.2224 -0.0068 0.0074 -0.0062 174 VAL B CG2 3782 N N . CYS B 94 ? 0.1768 0.2027 0.2048 -0.0088 0.0066 -0.0052 175 CYS B N 3783 C CA . CYS B 94 ? 0.1795 0.2023 0.2045 -0.0097 0.0065 -0.0048 175 CYS B CA 3784 C C . CYS B 94 ? 0.1738 0.1942 0.1984 -0.0084 0.0055 -0.0048 175 CYS B C 3785 O O . CYS B 94 ? 0.1711 0.1929 0.1982 -0.0072 0.0050 -0.0051 175 CYS B O 3786 C CB . CYS B 94 ? 0.1853 0.2087 0.2102 -0.0114 0.0071 -0.0046 175 CYS B CB 3787 S SG . CYS B 94 ? 0.1885 0.2135 0.2162 -0.0110 0.0067 -0.0048 175 CYS B SG 3788 N N . ILE B 95 ? 0.1688 0.1855 0.1903 -0.0087 0.0053 -0.0044 176 ILE B N 3789 C CA . ILE B 95 ? 0.1662 0.1806 0.1874 -0.0073 0.0045 -0.0044 176 ILE B CA 3790 C C . ILE B 95 ? 0.1656 0.1796 0.1871 -0.0078 0.0050 -0.0045 176 ILE B C 3791 O O . ILE B 95 ? 0.1694 0.1822 0.1888 -0.0095 0.0056 -0.0043 176 ILE B O 3792 C CB . ILE B 95 ? 0.1700 0.1800 0.1872 -0.0071 0.0039 -0.0039 176 ILE B CB 3793 C CG1 . ILE B 95 ? 0.1723 0.1820 0.1879 -0.0072 0.0035 -0.0037 176 ILE B CG1 3794 C CG2 . ILE B 95 ? 0.1702 0.1784 0.1877 -0.0049 0.0030 -0.0038 176 ILE B CG2 3795 C CD1 . ILE B 95 ? 0.1790 0.1839 0.1902 -0.0071 0.0028 -0.0031 176 ILE B CD1 3796 N N . ALA B 96 ? 0.1592 0.1744 0.1832 -0.0065 0.0049 -0.0048 177 ALA B N 3797 C CA . ALA B 96 ? 0.1559 0.1707 0.1800 -0.0071 0.0055 -0.0050 177 ALA B CA 3798 C C . ALA B 96 ? 0.1532 0.1682 0.1792 -0.0054 0.0055 -0.0053 177 ALA B C 3799 O O . ALA B 96 ? 0.1492 0.1670 0.1782 -0.0044 0.0052 -0.0056 177 ALA B O 3800 C CB . ALA B 96 ? 0.1524 0.1704 0.1783 -0.0085 0.0058 -0.0051 177 ALA B CB 3801 N N . TRP B 97 ? 0.1543 0.1661 0.1783 -0.0051 0.0059 -0.0054 178 TRP B N 3802 C CA . TRP B 97 ? 0.1536 0.1657 0.1792 -0.0040 0.0065 -0.0058 178 TRP B CA 3803 C C . TRP B 97 ? 0.1550 0.1665 0.1796 -0.0056 0.0072 -0.0060 178 TRP B C 3804 O O . TRP B 97 ? 0.1547 0.1658 0.1798 -0.0049 0.0079 -0.0064 178 TRP B O 3805 C CB . TRP B 97 ? 0.1569 0.1664 0.1817 -0.0018 0.0065 -0.0058 178 TRP B CB 3806 C CG . TRP B 97 ? 0.1609 0.1652 0.1812 -0.0018 0.0065 -0.0055 178 TRP B CG 3807 C CD1 . TRP B 97 ? 0.1637 0.1658 0.1823 -0.0005 0.0057 -0.0050 178 TRP B CD1 3808 C CD2 . TRP B 97 ? 0.1631 0.1632 0.1792 -0.0032 0.0073 -0.0055 178 TRP B CD2 3809 N NE1 . TRP B 97 ? 0.1695 0.1661 0.1832 -0.0009 0.0060 -0.0048 178 TRP B NE1 3810 C CE2 . TRP B 97 ? 0.1687 0.1639 0.1807 -0.0026 0.0070 -0.0051 178 TRP B CE2 3811 C CE3 . TRP B 97 ? 0.1635 0.1630 0.1785 -0.0049 0.0081 -0.0058 178 TRP B CE3 3812 C CZ2 . TRP B 97 ? 0.1733 0.1630 0.1801 -0.0039 0.0075 -0.0050 178 TRP B CZ2 3813 C CZ3 . TRP B 97 ? 0.1694 0.1638 0.1795 -0.0062 0.0086 -0.0057 178 TRP B CZ3 3814 C CH2 . TRP B 97 ? 0.1732 0.1627 0.1791 -0.0057 0.0083 -0.0053 178 TRP B CH2 3815 N N . SER B 98 ? 0.1527 0.1641 0.1757 -0.0077 0.0071 -0.0057 179 SER B N 3816 C CA . SER B 98 ? 0.1516 0.1633 0.1741 -0.0095 0.0074 -0.0058 179 SER B CA 3817 C C . SER B 98 ? 0.1508 0.1652 0.1740 -0.0112 0.0069 -0.0054 179 SER B C 3818 O O . SER B 98 ? 0.1487 0.1625 0.1707 -0.0116 0.0067 -0.0051 179 SER B O 3819 C CB . SER B 98 ? 0.1545 0.1613 0.1726 -0.0104 0.0079 -0.0058 179 SER B CB 3820 O OG . SER B 98 ? 0.1535 0.1605 0.1709 -0.0124 0.0079 -0.0058 179 SER B OG 3821 N N . SER B 99 ? 0.1476 0.1649 0.1728 -0.0120 0.0067 -0.0055 180 SER B N 3822 C CA . SER B 99 ? 0.1477 0.1683 0.1743 -0.0132 0.0063 -0.0051 180 SER B CA 3823 C C . SER B 99 ? 0.1475 0.1702 0.1752 -0.0146 0.0059 -0.0050 180 SER B C 3824 O O . SER B 99 ? 0.1472 0.1689 0.1746 -0.0146 0.0058 -0.0052 180 SER B O 3825 C CB . SER B 99 ? 0.1453 0.1689 0.1748 -0.0117 0.0061 -0.0053 180 SER B CB 3826 O OG . SER B 99 ? 0.1450 0.1709 0.1770 -0.0109 0.0059 -0.0055 180 SER B OG 3827 N N . SER B 100 ? 0.1492 0.1750 0.1782 -0.0157 0.0056 -0.0046 181 SER B N 3828 C CA . SER B 100 ? 0.1489 0.1778 0.1798 -0.0166 0.0049 -0.0043 181 SER B CA 3829 C C . SER B 100 ? 0.1477 0.1810 0.1814 -0.0164 0.0050 -0.0041 181 SER B C 3830 O O . SER B 100 ? 0.1481 0.1811 0.1809 -0.0168 0.0056 -0.0040 181 SER B O 3831 C CB . SER B 100 ? 0.1565 0.1840 0.1851 -0.0191 0.0045 -0.0039 181 SER B CB 3832 O OG . SER B 100 ? 0.1555 0.1863 0.1861 -0.0200 0.0036 -0.0036 181 SER B OG 3833 N N . SER B 101 ? 0.1443 0.1810 0.1810 -0.0156 0.0045 -0.0041 182 SER B N 3834 C CA . SER B 101 ? 0.1455 0.1864 0.1850 -0.0151 0.0048 -0.0039 182 SER B CA 3835 C C . SER B 101 ? 0.1485 0.1932 0.1906 -0.0155 0.0039 -0.0035 182 SER B C 3836 O O . SER B 101 ? 0.1481 0.1920 0.1900 -0.0155 0.0030 -0.0034 182 SER B O 3837 C CB . SER B 101 ? 0.1443 0.1856 0.1850 -0.0128 0.0053 -0.0044 182 SER B CB 3838 O OG . SER B 101 ? 0.1468 0.1849 0.1854 -0.0123 0.0058 -0.0047 182 SER B OG 3839 N N . CYS B 102 ? 0.1533 0.2023 0.1978 -0.0159 0.0042 -0.0032 183 CYS B N 3840 C CA . CYS B 102 ? 0.1584 0.2119 0.2062 -0.0159 0.0033 -0.0027 183 CYS B CA 3841 C C . CYS B 102 ? 0.1569 0.2154 0.2080 -0.0154 0.0042 -0.0026 183 CYS B C 3842 O O . CYS B 102 ? 0.1575 0.2160 0.2077 -0.0162 0.0054 -0.0027 183 CYS B O 3843 C CB . CYS B 102 ? 0.1655 0.2190 0.2124 -0.0185 0.0020 -0.0021 183 CYS B CB 3844 S SG . CYS B 102 ? 0.1751 0.2272 0.2192 -0.0219 0.0026 -0.0018 183 CYS B SG 3845 N N . HIS B 103 ? 0.1576 0.2201 0.2122 -0.0140 0.0036 -0.0023 184 HIS B N 3846 C CA . HIS B 103 ? 0.1581 0.2260 0.2164 -0.0130 0.0046 -0.0023 184 HIS B CA 3847 C C . HIS B 103 ? 0.1599 0.2330 0.2213 -0.0147 0.0035 -0.0014 184 HIS B C 3848 O O . HIS B 103 ? 0.1593 0.2326 0.2213 -0.0148 0.0017 -0.0010 184 HIS B O 3849 C CB . HIS B 103 ? 0.1579 0.2261 0.2178 -0.0096 0.0047 -0.0026 184 HIS B CB 3850 C CG . HIS B 103 ? 0.1593 0.2314 0.2219 -0.0080 0.0063 -0.0029 184 HIS B CG 3851 N ND1 . HIS B 103 ? 0.1621 0.2404 0.2292 -0.0074 0.0063 -0.0024 184 HIS B ND1 3852 C CD2 . HIS B 103 ? 0.1603 0.2310 0.2216 -0.0069 0.0081 -0.0035 184 HIS B CD2 3853 C CE1 . HIS B 103 ? 0.1617 0.2423 0.2303 -0.0058 0.0082 -0.0028 184 HIS B CE1 3854 N NE2 . HIS B 103 ? 0.1618 0.2374 0.2266 -0.0056 0.0093 -0.0035 184 HIS B NE2 3855 N N . ASP B 104 ? 0.1635 0.2407 0.2268 -0.0162 0.0046 -0.0012 185 ASP B N 3856 C CA . ASP B 104 ? 0.1683 0.2510 0.2347 -0.0184 0.0036 -0.0003 185 ASP B CA 3857 C C . ASP B 104 ? 0.1718 0.2617 0.2442 -0.0162 0.0036 0.0000 185 ASP B C 3858 O O . ASP B 104 ? 0.1823 0.2780 0.2583 -0.0178 0.0029 0.0008 185 ASP B O 3859 C CB . ASP B 104 ? 0.1688 0.2522 0.2339 -0.0218 0.0047 -0.0001 185 ASP B CB 3860 C CG . ASP B 104 ? 0.1667 0.2527 0.2333 -0.0211 0.0072 -0.0005 185 ASP B CG 3861 O OD1 . ASP B 104 ? 0.1663 0.2541 0.2352 -0.0179 0.0081 -0.0009 185 ASP B OD1 3862 O OD2 . ASP B 104 ? 0.1713 0.2574 0.2363 -0.0239 0.0083 -0.0004 185 ASP B OD2 3863 N N . GLY B 105 ? 0.1731 0.2623 0.2463 -0.0126 0.0043 -0.0005 186 GLY B N 3864 C CA . GLY B 105 ? 0.1774 0.2727 0.2559 -0.0098 0.0047 -0.0004 186 GLY B CA 3865 C C . GLY B 105 ? 0.1803 0.2774 0.2597 -0.0086 0.0076 -0.0011 186 GLY B C 3866 O O . GLY B 105 ? 0.1835 0.2829 0.2655 -0.0053 0.0085 -0.0014 186 GLY B O 3867 N N . LYS B 106 ? 0.1838 0.2793 0.2606 -0.0112 0.0091 -0.0013 187 LYS B N 3868 C CA . LYS B 106 ? 0.1871 0.2835 0.2638 -0.0107 0.0119 -0.0019 187 LYS B CA 3869 C C . LYS B 106 ? 0.1824 0.2714 0.2535 -0.0104 0.0128 -0.0027 187 LYS B C 3870 O O . LYS B 106 ? 0.1847 0.2726 0.2551 -0.0082 0.0146 -0.0034 187 LYS B O 3871 C CB . LYS B 106 ? 0.1949 0.2958 0.2731 -0.0142 0.0130 -0.0014 187 LYS B CB 3872 C CG . LYS B 106 ? 0.2040 0.3136 0.2886 -0.0146 0.0124 -0.0006 187 LYS B CG 3873 C CD . LYS B 106 ? 0.2154 0.3300 0.3017 -0.0179 0.0141 -0.0003 187 LYS B CD 3874 C CE . LYS B 106 ? 0.2227 0.3466 0.3159 -0.0186 0.0131 0.0006 187 LYS B CE 3875 N NZ . LYS B 106 ? 0.2312 0.3605 0.3262 -0.0222 0.0148 0.0010 187 LYS B NZ 3876 N N . ALA B 107 ? 0.1754 0.2592 0.2424 -0.0125 0.0116 -0.0026 188 ALA B N 3877 C CA . ALA B 107 ? 0.1718 0.2489 0.2337 -0.0123 0.0123 -0.0032 188 ALA B CA 3878 C C . ALA B 107 ? 0.1668 0.2385 0.2252 -0.0133 0.0105 -0.0031 188 ALA B C 3879 O O . ALA B 107 ? 0.1621 0.2347 0.2212 -0.0149 0.0089 -0.0026 188 ALA B O 3880 C CB . ALA B 107 ? 0.1766 0.2534 0.2364 -0.0144 0.0142 -0.0033 188 ALA B CB 3881 N N . TRP B 108 ? 0.1603 0.2265 0.2150 -0.0125 0.0107 -0.0037 189 TRP B N 3882 C CA . TRP B 108 ? 0.1594 0.2205 0.2109 -0.0131 0.0094 -0.0037 189 TRP B CA 3883 C C . TRP B 108 ? 0.1568 0.2153 0.2051 -0.0159 0.0096 -0.0034 189 TRP B C 3884 O O . TRP B 108 ? 0.1552 0.2129 0.2017 -0.0167 0.0109 -0.0035 189 TRP B O 3885 C CB . TRP B 108 ? 0.1596 0.2164 0.2088 -0.0110 0.0095 -0.0043 189 TRP B CB 3886 C CG . TRP B 108 ? 0.1602 0.2175 0.2112 -0.0086 0.0088 -0.0046 189 TRP B CG 3887 C CD1 . TRP B 108 ? 0.1633 0.2219 0.2156 -0.0064 0.0096 -0.0050 189 TRP B CD1 3888 C CD2 . TRP B 108 ? 0.1607 0.2168 0.2119 -0.0083 0.0073 -0.0044 189 TRP B CD2 3889 N NE1 . TRP B 108 ? 0.1643 0.2224 0.2175 -0.0046 0.0085 -0.0050 189 TRP B NE1 3890 C CE2 . TRP B 108 ? 0.1593 0.2158 0.2118 -0.0059 0.0071 -0.0047 189 TRP B CE2 3891 C CE3 . TRP B 108 ? 0.1590 0.2132 0.2089 -0.0099 0.0061 -0.0041 189 TRP B CE3 3892 C CZ2 . TRP B 108 ? 0.1607 0.2159 0.2132 -0.0052 0.0057 -0.0046 189 TRP B CZ2 3893 C CZ3 . TRP B 108 ? 0.1622 0.2152 0.2122 -0.0091 0.0049 -0.0041 189 TRP B CZ3 3894 C CH2 . TRP B 108 ? 0.1614 0.2150 0.2127 -0.0069 0.0046 -0.0043 189 TRP B CH2 3895 N N . LEU B 109 ? 0.1540 0.2106 0.2010 -0.0174 0.0083 -0.0031 190 LEU B N 3896 C CA . LEU B 109 ? 0.1550 0.2071 0.1978 -0.0195 0.0082 -0.0029 190 LEU B CA 3897 C C . LEU B 109 ? 0.1555 0.2025 0.1958 -0.0181 0.0076 -0.0034 190 LEU B C 3898 O O . LEU B 109 ? 0.1543 0.2011 0.1957 -0.0168 0.0067 -0.0035 190 LEU B O 3899 C CB . LEU B 109 ? 0.1543 0.2073 0.1970 -0.0222 0.0072 -0.0023 190 LEU B CB 3900 C CG . LEU B 109 ? 0.1569 0.2044 0.1946 -0.0244 0.0070 -0.0022 190 LEU B CG 3901 C CD1 . LEU B 109 ? 0.1614 0.2080 0.1968 -0.0262 0.0082 -0.0021 190 LEU B CD1 3902 C CD2 . LEU B 109 ? 0.1581 0.2057 0.1952 -0.0268 0.0057 -0.0017 190 LEU B CD2 3903 N N . HIS B 110 ? 0.1592 0.2019 0.1960 -0.0182 0.0081 -0.0035 191 HIS B N 3904 C CA . HIS B 110 ? 0.1589 0.1970 0.1933 -0.0171 0.0075 -0.0038 191 HIS B CA 3905 C C . HIS B 110 ? 0.1637 0.1974 0.1940 -0.0189 0.0075 -0.0036 191 HIS B C 3906 O O . HIS B 110 ? 0.1661 0.1988 0.1943 -0.0203 0.0081 -0.0034 191 HIS B O 3907 C CB . HIS B 110 ? 0.1590 0.1957 0.1931 -0.0150 0.0079 -0.0043 191 HIS B CB 3908 C CG . HIS B 110 ? 0.1574 0.1974 0.1945 -0.0133 0.0081 -0.0046 191 HIS B CG 3909 N ND1 . HIS B 110 ? 0.1557 0.1966 0.1948 -0.0119 0.0074 -0.0048 191 HIS B ND1 3910 C CD2 . HIS B 110 ? 0.1601 0.2024 0.1983 -0.0127 0.0090 -0.0047 191 HIS B CD2 3911 C CE1 . HIS B 110 ? 0.1548 0.1980 0.1958 -0.0105 0.0078 -0.0050 191 HIS B CE1 3912 N NE2 . HIS B 110 ? 0.1571 0.2013 0.1977 -0.0108 0.0088 -0.0050 191 HIS B NE2 3913 N N . VAL B 111 ? 0.1654 0.1963 0.1944 -0.0188 0.0068 -0.0037 192 VAL B N 3914 C CA . VAL B 111 ? 0.1715 0.1972 0.1961 -0.0200 0.0068 -0.0035 192 VAL B CA 3915 C C . VAL B 111 ? 0.1739 0.1962 0.1975 -0.0176 0.0068 -0.0039 192 VAL B C 3916 O O . VAL B 111 ? 0.1671 0.1898 0.1922 -0.0162 0.0065 -0.0043 192 VAL B O 3917 C CB . VAL B 111 ? 0.1758 0.2006 0.1994 -0.0217 0.0062 -0.0033 192 VAL B CB 3918 C CG1 . VAL B 111 ? 0.1832 0.2021 0.2016 -0.0230 0.0063 -0.0033 192 VAL B CG1 3919 C CG2 . VAL B 111 ? 0.1754 0.2048 0.2011 -0.0239 0.0060 -0.0029 192 VAL B CG2 3920 N N . CYS B 112 ? 0.1755 0.1948 0.1964 -0.0173 0.0070 -0.0039 193 CYS B N 3921 C CA . CYS B 112 ? 0.1796 0.1966 0.2002 -0.0149 0.0068 -0.0042 193 CYS B CA 3922 C C . CYS B 112 ? 0.1800 0.1914 0.1962 -0.0149 0.0068 -0.0040 193 CYS B C 3923 O O . CYS B 112 ? 0.1823 0.1912 0.1952 -0.0163 0.0070 -0.0036 193 CYS B O 3924 C CB . CYS B 112 ? 0.1844 0.2030 0.2060 -0.0140 0.0069 -0.0042 193 CYS B CB 3925 S SG . CYS B 112 ? 0.1947 0.2193 0.2208 -0.0138 0.0071 -0.0044 193 CYS B SG 3926 N N . ILE B 113 ? 0.1772 0.1864 0.1932 -0.0134 0.0067 -0.0043 194 ILE B N 3927 C CA . ILE B 113 ? 0.1809 0.1845 0.1927 -0.0130 0.0068 -0.0042 194 ILE B CA 3928 C C . ILE B 113 ? 0.1793 0.1819 0.1919 -0.0101 0.0064 -0.0043 194 ILE B C 3929 O O . ILE B 113 ? 0.1713 0.1767 0.1876 -0.0084 0.0063 -0.0047 194 ILE B O 3930 C CB . ILE B 113 ? 0.1851 0.1863 0.1953 -0.0136 0.0071 -0.0044 194 ILE B CB 3931 C CG1 . ILE B 113 ? 0.1851 0.1879 0.1949 -0.0166 0.0071 -0.0042 194 ILE B CG1 3932 C CG2 . ILE B 113 ? 0.1931 0.1879 0.1985 -0.0130 0.0074 -0.0044 194 ILE B CG2 3933 C CD1 . ILE B 113 ? 0.1860 0.1870 0.1944 -0.0175 0.0073 -0.0044 194 ILE B CD1 3934 N N . THR B 114 ? 0.1803 0.1789 0.1895 -0.0096 0.0061 -0.0040 195 THR B N 3935 C CA . THR B 114 ? 0.1809 0.1783 0.1906 -0.0068 0.0054 -0.0039 195 THR B CA 3936 C C . THR B 114 ? 0.1900 0.1811 0.1945 -0.0063 0.0052 -0.0036 195 THR B C 3937 O O . THR B 114 ? 0.1985 0.1858 0.1987 -0.0083 0.0056 -0.0034 195 THR B O 3938 C CB . THR B 114 ? 0.1758 0.1765 0.1878 -0.0063 0.0047 -0.0038 195 THR B CB 3939 O OG1 . THR B 114 ? 0.1740 0.1744 0.1873 -0.0036 0.0038 -0.0038 195 THR B OG1 3940 C CG2 . THR B 114 ? 0.1787 0.1773 0.1871 -0.0081 0.0046 -0.0033 195 THR B CG2 3941 N N . GLY B 115 ? 0.1910 0.1809 0.1960 -0.0035 0.0045 -0.0035 196 GLY B N 3942 C CA . GLY B 115 ? 0.2017 0.1853 0.2019 -0.0023 0.0040 -0.0030 196 GLY B CA 3943 C C . GLY B 115 ? 0.2058 0.1866 0.2055 -0.0001 0.0046 -0.0034 196 GLY B C 3944 O O . GLY B 115 ? 0.1995 0.1838 0.2032 0.0008 0.0053 -0.0039 196 GLY B O 3945 N N . ASP B 116 ? 0.2152 0.1893 0.2095 0.0006 0.0044 -0.0030 197 ASP B N 3946 C CA . ASP B 116 ? 0.2240 0.1944 0.2170 0.0032 0.0051 -0.0033 197 ASP B CA 3947 C C . ASP B 116 ? 0.2243 0.1940 0.2166 0.0018 0.0067 -0.0040 197 ASP B C 3948 O O . ASP B 116 ? 0.2177 0.1863 0.2073 -0.0016 0.0071 -0.0039 197 ASP B O 3949 C CB . ASP B 116 ? 0.2372 0.1993 0.2233 0.0039 0.0046 -0.0028 197 ASP B CB 3950 C CG . ASP B 116 ? 0.2442 0.2058 0.2303 0.0060 0.0028 -0.0021 197 ASP B CG 3951 O OD1 . ASP B 116 ? 0.2463 0.2135 0.2381 0.0079 0.0020 -0.0021 197 ASP B OD1 3952 O OD2 . ASP B 116 ? 0.2598 0.2150 0.2398 0.0055 0.0021 -0.0015 197 ASP B OD2 3953 N N . ASP B 117 ? 0.2276 0.1979 0.2222 0.0043 0.0076 -0.0045 198 ASP B N 3954 C CA . ASP B 117 ? 0.2359 0.2049 0.2294 0.0032 0.0092 -0.0052 198 ASP B CA 3955 C C . ASP B 117 ? 0.2492 0.2106 0.2350 0.0009 0.0096 -0.0051 198 ASP B C 3956 O O . ASP B 117 ? 0.2485 0.2098 0.2328 -0.0021 0.0102 -0.0053 198 ASP B O 3957 C CB . ASP B 117 ? 0.2409 0.2098 0.2365 0.0067 0.0103 -0.0058 198 ASP B CB 3958 C CG . ASP B 117 ? 0.2390 0.2158 0.2421 0.0079 0.0104 -0.0061 198 ASP B CG 3959 O OD1 . ASP B 117 ? 0.2383 0.2202 0.2448 0.0063 0.0094 -0.0059 198 ASP B OD1 3960 O OD2 . ASP B 117 ? 0.2454 0.2232 0.2510 0.0104 0.0116 -0.0066 198 ASP B OD2 3961 N N . LYS B 118 ? 0.2635 0.2184 0.2443 0.0023 0.0092 -0.0047 199 LYS B N 3962 C CA . LYS B 118 ? 0.2811 0.2277 0.2537 0.0003 0.0097 -0.0046 199 LYS B CA 3963 C C . LYS B 118 ? 0.2721 0.2173 0.2412 -0.0036 0.0087 -0.0039 199 LYS B C 3964 O O . LYS B 118 ? 0.2752 0.2136 0.2373 -0.0059 0.0089 -0.0037 199 LYS B O 3965 C CB . LYS B 118 ? 0.3089 0.2481 0.2770 0.0037 0.0099 -0.0045 199 LYS B CB 3966 C CG . LYS B 118 ? 0.3308 0.2706 0.3016 0.0071 0.0114 -0.0053 199 LYS B CG 3967 C CD . LYS B 118 ? 0.3643 0.2957 0.3295 0.0103 0.0121 -0.0054 199 LYS B CD 3968 C CE . LYS B 118 ? 0.3833 0.3172 0.3530 0.0153 0.0115 -0.0052 199 LYS B CE 3969 N NZ . LYS B 118 ? 0.4087 0.3357 0.3745 0.0190 0.0128 -0.0056 199 LYS B NZ 3970 N N . ASN B 119 ? 0.2542 0.2057 0.2278 -0.0044 0.0078 -0.0035 200 ASN B N 3971 C CA . ASN B 119 ? 0.2508 0.2014 0.2214 -0.0079 0.0071 -0.0029 200 ASN B CA 3972 C C . ASN B 119 ? 0.2351 0.1942 0.2119 -0.0089 0.0066 -0.0028 200 ASN B C 3973 O O . ASN B 119 ? 0.2339 0.1940 0.2111 -0.0088 0.0058 -0.0023 200 ASN B O 3974 C CB . ASN B 119 ? 0.2588 0.2030 0.2241 -0.0066 0.0062 -0.0023 200 ASN B CB 3975 C CG . ASN B 119 ? 0.2696 0.2088 0.2282 -0.0106 0.0061 -0.0017 200 ASN B CG 3976 O OD1 . ASN B 119 ? 0.2645 0.2051 0.2224 -0.0144 0.0067 -0.0018 200 ASN B OD1 3977 N ND2 . ASN B 119 ? 0.2817 0.2149 0.2352 -0.0097 0.0053 -0.0011 200 ASN B ND2 3978 N N . ALA B 120 ? 0.2228 0.1874 0.2042 -0.0099 0.0072 -0.0033 201 ALA B N 3979 C CA . ALA B 120 ? 0.2146 0.1870 0.2019 -0.0105 0.0069 -0.0033 201 ALA B CA 3980 C C . ALA B 120 ? 0.2127 0.1865 0.1987 -0.0143 0.0068 -0.0029 201 ALA B C 3981 O O . ALA B 120 ? 0.2177 0.1872 0.1986 -0.0170 0.0071 -0.0026 201 ALA B O 3982 C CB . ALA B 120 ? 0.2095 0.1868 0.2017 -0.0102 0.0074 -0.0039 201 ALA B CB 3983 N N . THR B 121 ? 0.2055 0.1854 0.1961 -0.0145 0.0066 -0.0028 202 THR B N 3984 C CA . THR B 121 ? 0.2036 0.1863 0.1943 -0.0176 0.0067 -0.0025 202 THR B CA 3985 C C . THR B 121 ? 0.1953 0.1852 0.1919 -0.0180 0.0070 -0.0029 202 THR B C 3986 O O . THR B 121 ? 0.1890 0.1827 0.1901 -0.0157 0.0067 -0.0032 202 THR B O 3987 C CB . THR B 121 ? 0.2053 0.1880 0.1952 -0.0173 0.0064 -0.0021 202 THR B CB 3988 O OG1 . THR B 121 ? 0.2116 0.1872 0.1958 -0.0166 0.0059 -0.0018 202 THR B OG1 3989 C CG2 . THR B 121 ? 0.2073 0.1928 0.1971 -0.0207 0.0070 -0.0019 202 THR B CG2 3990 N N . ALA B 122 ? 0.1935 0.1855 0.1901 -0.0211 0.0073 -0.0027 203 ALA B N 3991 C CA . ALA B 122 ? 0.1884 0.1873 0.1905 -0.0216 0.0073 -0.0029 203 ALA B CA 3992 C C . ALA B 122 ? 0.1856 0.1880 0.1887 -0.0233 0.0077 -0.0026 203 ALA B C 3993 O O . ALA B 122 ? 0.1911 0.1916 0.1908 -0.0260 0.0080 -0.0022 203 ALA B O 3994 C CB . ALA B 122 ? 0.1907 0.1901 0.1926 -0.0238 0.0073 -0.0029 203 ALA B CB 3995 N N . SER B 123 ? 0.1794 0.1863 0.1868 -0.0216 0.0077 -0.0028 204 SER B N 3996 C CA . SER B 123 ? 0.1804 0.1910 0.1891 -0.0228 0.0084 -0.0026 204 SER B CA 3997 C C . SER B 123 ? 0.1755 0.1925 0.1892 -0.0235 0.0085 -0.0027 204 SER B C 3998 O O . SER B 123 ? 0.1687 0.1878 0.1855 -0.0219 0.0081 -0.0030 204 SER B O 3999 C CB . SER B 123 ? 0.1796 0.1907 0.1894 -0.0205 0.0083 -0.0028 204 SER B CB 4000 O OG . SER B 123 ? 0.1808 0.1862 0.1860 -0.0199 0.0080 -0.0026 204 SER B OG 4001 N N . PHE B 124 ? 0.1774 0.1975 0.1916 -0.0259 0.0092 -0.0024 205 PHE B N 4002 C CA . PHE B 124 ? 0.1732 0.1999 0.1923 -0.0265 0.0094 -0.0024 205 PHE B CA 4003 C C . PHE B 124 ? 0.1734 0.2042 0.1952 -0.0258 0.0104 -0.0025 205 PHE B C 4004 O O . PHE B 124 ? 0.1706 0.2015 0.1906 -0.0276 0.0114 -0.0023 205 PHE B O 4005 C CB . PHE B 124 ? 0.1742 0.2020 0.1926 -0.0300 0.0092 -0.0019 205 PHE B CB 4006 C CG . PHE B 124 ? 0.1748 0.1979 0.1899 -0.0307 0.0083 -0.0018 205 PHE B CG 4007 C CD1 . PHE B 124 ? 0.1816 0.1978 0.1910 -0.0314 0.0083 -0.0017 205 PHE B CD1 4008 C CD2 . PHE B 124 ? 0.1713 0.1964 0.1889 -0.0304 0.0074 -0.0019 205 PHE B CD2 4009 C CE1 . PHE B 124 ? 0.1841 0.1955 0.1901 -0.0319 0.0077 -0.0018 205 PHE B CE1 4010 C CE2 . PHE B 124 ? 0.1765 0.1969 0.1906 -0.0311 0.0068 -0.0019 205 PHE B CE2 4011 C CZ . PHE B 124 ? 0.1807 0.1942 0.1891 -0.0317 0.0070 -0.0019 205 PHE B CZ 4012 N N . ILE B 125 ? 0.1697 0.2035 0.1952 -0.0232 0.0103 -0.0029 206 ILE B N 4013 C CA . ILE B 125 ? 0.1731 0.2099 0.2006 -0.0219 0.0113 -0.0032 206 ILE B CA 4014 C C . ILE B 125 ? 0.1721 0.2153 0.2047 -0.0217 0.0115 -0.0032 206 ILE B C 4015 O O . ILE B 125 ? 0.1726 0.2172 0.2077 -0.0205 0.0105 -0.0033 206 ILE B O 4016 C CB . ILE B 125 ? 0.1769 0.2112 0.2040 -0.0191 0.0108 -0.0037 206 ILE B CB 4017 C CG1 . ILE B 125 ? 0.1840 0.2124 0.2063 -0.0192 0.0105 -0.0036 206 ILE B CG1 4018 C CG2 . ILE B 125 ? 0.1793 0.2166 0.2085 -0.0177 0.0118 -0.0041 206 ILE B CG2 4019 C CD1 . ILE B 125 ? 0.1880 0.2139 0.2100 -0.0166 0.0096 -0.0039 206 ILE B CD1 4020 N N . TYR B 126 ? 0.1702 0.2174 0.2045 -0.0228 0.0128 -0.0031 207 TYR B N 4021 C CA . TYR B 126 ? 0.1705 0.2243 0.2100 -0.0225 0.0131 -0.0030 207 TYR B CA 4022 C C . TYR B 126 ? 0.1739 0.2307 0.2150 -0.0212 0.0149 -0.0034 207 TYR B C 4023 O O . TYR B 126 ? 0.1686 0.2244 0.2073 -0.0225 0.0163 -0.0034 207 TYR B O 4024 C CB . TYR B 126 ? 0.1718 0.2288 0.2123 -0.0257 0.0130 -0.0024 207 TYR B CB 4025 C CG . TYR B 126 ? 0.1705 0.2350 0.2169 -0.0254 0.0131 -0.0022 207 TYR B CG 4026 C CD1 . TYR B 126 ? 0.1683 0.2346 0.2174 -0.0243 0.0114 -0.0020 207 TYR B CD1 4027 C CD2 . TYR B 126 ? 0.1708 0.2407 0.2200 -0.0259 0.0148 -0.0021 207 TYR B CD2 4028 C CE1 . TYR B 126 ? 0.1675 0.2406 0.2220 -0.0237 0.0112 -0.0017 207 TYR B CE1 4029 C CE2 . TYR B 126 ? 0.1683 0.2455 0.2234 -0.0252 0.0148 -0.0019 207 TYR B CE2 4030 C CZ . TYR B 126 ? 0.1673 0.2460 0.2250 -0.0241 0.0129 -0.0016 207 TYR B CZ 4031 O OH . TYR B 126 ? 0.1668 0.2528 0.2303 -0.0232 0.0126 -0.0013 207 TYR B OH 4032 N N . ASP B 127 ? 0.1809 0.2409 0.2258 -0.0185 0.0149 -0.0037 208 ASP B N 4033 C CA . ASP B 127 ? 0.1974 0.2601 0.2439 -0.0168 0.0166 -0.0042 208 ASP B CA 4034 C C . ASP B 127 ? 0.2019 0.2596 0.2438 -0.0166 0.0176 -0.0046 208 ASP B C 4035 O O . ASP B 127 ? 0.2063 0.2650 0.2474 -0.0171 0.0196 -0.0048 208 ASP B O 4036 C CB . ASP B 127 ? 0.2121 0.2811 0.2620 -0.0184 0.0181 -0.0039 208 ASP B CB 4037 C CG . ASP B 127 ? 0.2291 0.3019 0.2818 -0.0161 0.0201 -0.0044 208 ASP B CG 4038 O OD1 . ASP B 127 ? 0.2428 0.3141 0.2957 -0.0131 0.0198 -0.0049 208 ASP B OD1 4039 O OD2 . ASP B 127 ? 0.2489 0.3258 0.3032 -0.0174 0.0220 -0.0043 208 ASP B OD2 4040 N N . GLY B 128 ? 0.2050 0.2573 0.2438 -0.0158 0.0162 -0.0047 209 GLY B N 4041 C CA . GLY B 128 ? 0.2152 0.2626 0.2497 -0.0152 0.0165 -0.0051 209 GLY B CA 4042 C C . GLY B 128 ? 0.2213 0.2650 0.2513 -0.0176 0.0169 -0.0048 209 GLY B C 4043 O O . GLY B 128 ? 0.2320 0.2718 0.2582 -0.0172 0.0173 -0.0050 209 GLY B O 4044 N N . ARG B 129 ? 0.2168 0.2612 0.2466 -0.0201 0.0168 -0.0042 210 ARG B N 4045 C CA . ARG B 129 ? 0.2236 0.2636 0.2483 -0.0225 0.0171 -0.0039 210 ARG B CA 4046 C C . ARG B 129 ? 0.2121 0.2496 0.2352 -0.0241 0.0157 -0.0033 210 ARG B C 4047 O O . ARG B 129 ? 0.1966 0.2371 0.2229 -0.0244 0.0150 -0.0032 210 ARG B O 4048 C CB . ARG B 129 ? 0.2412 0.2839 0.2655 -0.0247 0.0193 -0.0038 210 ARG B CB 4049 C CG . ARG B 129 ? 0.2556 0.3042 0.2838 -0.0268 0.0199 -0.0034 210 ARG B CG 4050 C CD . ARG B 129 ? 0.2674 0.3213 0.2980 -0.0274 0.0224 -0.0036 210 ARG B CD 4051 N NE . ARG B 129 ? 0.2783 0.3357 0.3130 -0.0240 0.0229 -0.0042 210 ARG B NE 4052 C CZ . ARG B 129 ? 0.2863 0.3439 0.3205 -0.0226 0.0248 -0.0048 210 ARG B CZ 4053 N NH1 . ARG B 129 ? 0.2991 0.3541 0.3290 -0.0243 0.0265 -0.0048 210 ARG B NH1 4054 N NH2 . ARG B 129 ? 0.2884 0.3486 0.3259 -0.0194 0.0250 -0.0053 210 ARG B NH2 4055 N N . LEU B 130 ? 0.2089 0.2403 0.2267 -0.0250 0.0152 -0.0031 211 LEU B N 4056 C CA . LEU B 130 ? 0.2116 0.2394 0.2268 -0.0265 0.0141 -0.0027 211 LEU B CA 4057 C C . LEU B 130 ? 0.2091 0.2387 0.2235 -0.0301 0.0150 -0.0022 211 LEU B C 4058 O O . LEU B 130 ? 0.2092 0.2380 0.2209 -0.0319 0.0163 -0.0021 211 LEU B O 4059 C CB . LEU B 130 ? 0.2207 0.2413 0.2304 -0.0259 0.0132 -0.0025 211 LEU B CB 4060 C CG . LEU B 130 ? 0.2308 0.2470 0.2379 -0.0262 0.0119 -0.0023 211 LEU B CG 4061 C CD1 . LEU B 130 ? 0.2397 0.2522 0.2460 -0.0232 0.0106 -0.0025 211 LEU B CD1 4062 C CD2 . LEU B 130 ? 0.2428 0.2543 0.2442 -0.0292 0.0123 -0.0017 211 LEU B CD2 4063 N N . VAL B 131 ? 0.2046 0.2366 0.2213 -0.0313 0.0143 -0.0020 212 VAL B N 4064 C CA . VAL B 131 ? 0.2056 0.2402 0.2222 -0.0350 0.0150 -0.0015 212 VAL B CA 4065 C C . VAL B 131 ? 0.2082 0.2370 0.2197 -0.0375 0.0140 -0.0010 212 VAL B C 4066 O O . VAL B 131 ? 0.2056 0.2338 0.2144 -0.0411 0.0147 -0.0006 212 VAL B O 4067 C CB . VAL B 131 ? 0.2022 0.2445 0.2253 -0.0351 0.0148 -0.0014 212 VAL B CB 4068 C CG1 . VAL B 131 ? 0.2075 0.2531 0.2310 -0.0391 0.0153 -0.0008 212 VAL B CG1 4069 C CG2 . VAL B 131 ? 0.1983 0.2459 0.2261 -0.0325 0.0160 -0.0019 212 VAL B CG2 4070 N N . ASP B 132 ? 0.2054 0.2297 0.2152 -0.0357 0.0126 -0.0012 213 ASP B N 4071 C CA . ASP B 132 ? 0.2095 0.2279 0.2142 -0.0377 0.0118 -0.0008 213 ASP B CA 4072 C C . ASP B 132 ? 0.2061 0.2187 0.2084 -0.0346 0.0107 -0.0011 213 ASP B C 4073 O O . ASP B 132 ? 0.2012 0.2153 0.2065 -0.0313 0.0105 -0.0016 213 ASP B O 4074 C CB . ASP B 132 ? 0.2143 0.2361 0.2212 -0.0399 0.0111 -0.0005 213 ASP B CB 4075 C CG . ASP B 132 ? 0.2252 0.2422 0.2265 -0.0439 0.0109 0.0000 213 ASP B CG 4076 O OD1 . ASP B 132 ? 0.2298 0.2396 0.2248 -0.0444 0.0111 0.0001 213 ASP B OD1 4077 O OD2 . ASP B 132 ? 0.2265 0.2469 0.2294 -0.0465 0.0104 0.0003 213 ASP B OD2 4078 N N . SER B 133 ? 0.2082 0.2140 0.2048 -0.0358 0.0102 -0.0009 214 SER B N 4079 C CA . SER B 133 ? 0.2090 0.2095 0.2035 -0.0331 0.0093 -0.0012 214 SER B CA 4080 C C . SER B 133 ? 0.2178 0.2125 0.2071 -0.0352 0.0089 -0.0009 214 SER B C 4081 O O . SER B 133 ? 0.2228 0.2158 0.2085 -0.0388 0.0092 -0.0005 214 SER B O 4082 C CB . SER B 133 ? 0.2103 0.2064 0.2019 -0.0308 0.0092 -0.0012 214 SER B CB 4083 O OG . SER B 133 ? 0.2178 0.2089 0.2034 -0.0332 0.0096 -0.0007 214 SER B OG 4084 N N . ILE B 134 ? 0.2176 0.2093 0.2064 -0.0330 0.0083 -0.0013 215 ILE B N 4085 C CA . ILE B 134 ? 0.2267 0.2117 0.2098 -0.0344 0.0080 -0.0012 215 ILE B CA 4086 C C . ILE B 134 ? 0.2287 0.2082 0.2096 -0.0307 0.0077 -0.0015 215 ILE B C 4087 O O . ILE B 134 ? 0.2213 0.2039 0.2067 -0.0274 0.0076 -0.0019 215 ILE B O 4088 C CB . ILE B 134 ? 0.2319 0.2193 0.2164 -0.0365 0.0076 -0.0012 215 ILE B CB 4089 C CG1 . ILE B 134 ? 0.2445 0.2244 0.2218 -0.0391 0.0075 -0.0010 215 ILE B CG1 4090 C CG2 . ILE B 134 ? 0.2299 0.2202 0.2190 -0.0335 0.0073 -0.0017 215 ILE B CG2 4091 C CD1 . ILE B 134 ? 0.2498 0.2318 0.2276 -0.0423 0.0069 -0.0008 215 ILE B CD1 4092 N N . GLY B 135 ? 0.2354 0.2068 0.2095 -0.0312 0.0077 -0.0013 216 GLY B N 4093 C CA . GLY B 135 ? 0.2394 0.2053 0.2111 -0.0277 0.0076 -0.0017 216 GLY B CA 4094 C C . GLY B 135 ? 0.2438 0.2072 0.2144 -0.0274 0.0077 -0.0021 216 GLY B C 4095 O O . GLY B 135 ? 0.2485 0.2128 0.2184 -0.0305 0.0077 -0.0020 216 GLY B O 4096 N N . SER B 136 ? 0.2487 0.2090 0.2190 -0.0237 0.0078 -0.0025 217 SER B N 4097 C CA . SER B 136 ? 0.2496 0.2067 0.2183 -0.0228 0.0083 -0.0030 217 SER B CA 4098 C C . SER B 136 ? 0.2577 0.2073 0.2186 -0.0260 0.0085 -0.0029 217 SER B C 4099 O O . SER B 136 ? 0.2626 0.2062 0.2178 -0.0269 0.0083 -0.0024 217 SER B O 4100 C CB . SER B 136 ? 0.2523 0.2066 0.2213 -0.0182 0.0086 -0.0034 217 SER B CB 4101 O OG . SER B 136 ? 0.2567 0.2078 0.2242 -0.0169 0.0094 -0.0040 217 SER B OG 4102 N N . TRP B 137 ? 0.2536 0.2031 0.2138 -0.0279 0.0086 -0.0031 218 TRP B N 4103 C CA . TRP B 137 ? 0.2657 0.2078 0.2181 -0.0311 0.0087 -0.0030 218 TRP B CA 4104 C C . TRP B 137 ? 0.2750 0.2092 0.2223 -0.0289 0.0096 -0.0037 218 TRP B C 4105 O O . TRP B 137 ? 0.2861 0.2121 0.2256 -0.0310 0.0097 -0.0036 218 TRP B O 4106 C CB . TRP B 137 ? 0.2606 0.2067 0.2141 -0.0356 0.0081 -0.0028 218 TRP B CB 4107 C CG . TRP B 137 ? 0.2522 0.2047 0.2117 -0.0348 0.0080 -0.0031 218 TRP B CG 4108 C CD1 . TRP B 137 ? 0.2523 0.2020 0.2103 -0.0340 0.0085 -0.0037 218 TRP B CD1 4109 C CD2 . TRP B 137 ? 0.2433 0.2055 0.2106 -0.0350 0.0075 -0.0030 218 TRP B CD2 4110 N NE1 . TRP B 137 ? 0.2460 0.2030 0.2103 -0.0337 0.0081 -0.0039 218 TRP B NE1 4111 C CE2 . TRP B 137 ? 0.2396 0.2042 0.2096 -0.0342 0.0074 -0.0034 218 TRP B CE2 4112 C CE3 . TRP B 137 ? 0.2390 0.2077 0.2110 -0.0357 0.0071 -0.0025 218 TRP B CE3 4113 C CZ2 . TRP B 137 ? 0.2316 0.2047 0.2087 -0.0340 0.0069 -0.0033 218 TRP B CZ2 4114 C CZ3 . TRP B 137 ? 0.2316 0.2088 0.2107 -0.0353 0.0067 -0.0025 218 TRP B CZ3 4115 C CH2 . TRP B 137 ? 0.2288 0.2080 0.2104 -0.0344 0.0065 -0.0029 218 TRP B CH2 4116 N N . SER B 138 ? 0.2702 0.2068 0.2219 -0.0248 0.0102 -0.0043 219 SER B N 4117 C CA . SER B 138 ? 0.2781 0.2080 0.2258 -0.0222 0.0114 -0.0050 219 SER B CA 4118 C C . SER B 138 ? 0.2737 0.2035 0.2240 -0.0169 0.0119 -0.0052 219 SER B C 4119 O O . SER B 138 ? 0.2744 0.1999 0.2228 -0.0140 0.0131 -0.0059 219 SER B O 4120 C CB . SER B 138 ? 0.2824 0.2149 0.2324 -0.0226 0.0120 -0.0056 219 SER B CB 4121 O OG . SER B 138 ? 0.2927 0.2249 0.2399 -0.0274 0.0113 -0.0053 219 SER B OG 4122 N N . GLN B 139 ? 0.2683 0.2027 0.2229 -0.0156 0.0111 -0.0048 220 GLN B N 4123 C CA . GLN B 139 ? 0.2675 0.2017 0.2243 -0.0110 0.0111 -0.0048 220 GLN B CA 4124 C C . GLN B 139 ? 0.2605 0.1984 0.2226 -0.0074 0.0121 -0.0056 220 GLN B C 4125 O O . GLN B 139 ? 0.2587 0.1939 0.2205 -0.0034 0.0128 -0.0058 220 GLN B O 4126 C CB . GLN B 139 ? 0.2810 0.2051 0.2297 -0.0098 0.0113 -0.0046 220 GLN B CB 4127 C CG . GLN B 139 ? 0.2900 0.2099 0.2331 -0.0132 0.0103 -0.0038 220 GLN B CG 4128 C CD . GLN B 139 ? 0.2981 0.2153 0.2363 -0.0184 0.0104 -0.0037 220 GLN B CD 4129 O OE1 . GLN B 139 ? 0.3088 0.2205 0.2423 -0.0190 0.0112 -0.0042 220 GLN B OE1 4130 N NE2 . GLN B 139 ? 0.3009 0.2220 0.2401 -0.0223 0.0096 -0.0031 220 GLN B NE2 4131 N N . ASN B 140 ? 0.2500 0.1944 0.2170 -0.0087 0.0123 -0.0059 221 ASN B N 4132 C CA . ASN B 140 ? 0.2495 0.1976 0.2214 -0.0059 0.0134 -0.0066 221 ASN B CA 4133 C C . ASN B 140 ? 0.2357 0.1928 0.2146 -0.0071 0.0129 -0.0066 221 ASN B C 4134 O O . ASN B 140 ? 0.2302 0.1886 0.2095 -0.0089 0.0134 -0.0070 221 ASN B O 4135 C CB . ASN B 140 ? 0.2604 0.2024 0.2272 -0.0060 0.0150 -0.0073 221 ASN B CB 4136 C CG . ASN B 140 ? 0.2679 0.2124 0.2388 -0.0026 0.0165 -0.0081 221 ASN B CG 4137 O OD1 . ASN B 140 ? 0.2696 0.2206 0.2473 -0.0002 0.0163 -0.0081 221 ASN B OD1 4138 N ND2 . ASN B 140 ? 0.2799 0.2192 0.2465 -0.0026 0.0182 -0.0088 221 ASN B ND2 4139 N N . ILE B 141 ? 0.2261 0.1886 0.2100 -0.0060 0.0119 -0.0062 222 ILE B N 4140 C CA . ILE B 141 ? 0.2166 0.1874 0.2073 -0.0065 0.0114 -0.0062 222 ILE B CA 4141 C C . ILE B 141 ? 0.2131 0.1861 0.2035 -0.0104 0.0109 -0.0060 222 ILE B C 4142 O O . ILE B 141 ? 0.2098 0.1848 0.2015 -0.0114 0.0112 -0.0063 222 ILE B O 4143 C CB . ILE B 141 ? 0.2160 0.1900 0.2110 -0.0041 0.0125 -0.0069 222 ILE B CB 4144 C CG1 . ILE B 141 ? 0.2213 0.1934 0.2168 -0.0001 0.0131 -0.0071 222 ILE B CG1 4145 C CG2 . ILE B 141 ? 0.2076 0.1895 0.2092 -0.0043 0.0117 -0.0069 222 ILE B CG2 4146 C CD1 . ILE B 141 ? 0.2238 0.1978 0.2224 0.0021 0.0146 -0.0079 222 ILE B CD1 4147 N N . LEU B 142 ? 0.2137 0.1864 0.2023 -0.0125 0.0100 -0.0054 223 LEU B N 4148 C CA . LEU B 142 ? 0.2116 0.1882 0.2016 -0.0159 0.0093 -0.0050 223 LEU B CA 4149 C C . LEU B 142 ? 0.2030 0.1870 0.1998 -0.0149 0.0091 -0.0052 223 LEU B C 4150 O O . LEU B 142 ? 0.1982 0.1852 0.1987 -0.0125 0.0089 -0.0053 223 LEU B O 4151 C CB . LEU B 142 ? 0.2140 0.1905 0.2024 -0.0176 0.0086 -0.0044 223 LEU B CB 4152 C CG . LEU B 142 ? 0.2115 0.1924 0.2015 -0.0210 0.0081 -0.0040 223 LEU B CG 4153 C CD1 . LEU B 142 ? 0.2176 0.1957 0.2038 -0.0242 0.0080 -0.0039 223 LEU B CD1 4154 C CD2 . LEU B 142 ? 0.2137 0.1947 0.2025 -0.0223 0.0077 -0.0034 223 LEU B CD2 4155 N N . ARG B 143 ? 0.2015 0.1880 0.1995 -0.0167 0.0090 -0.0053 224 ARG B N 4156 C CA . ARG B 143 ? 0.1958 0.1881 0.1993 -0.0157 0.0088 -0.0056 224 ARG B CA 4157 C C . ARG B 143 ? 0.1913 0.1869 0.1961 -0.0183 0.0081 -0.0053 224 ARG B C 4158 O O . ARG B 143 ? 0.1948 0.1878 0.1960 -0.0210 0.0078 -0.0050 224 ARG B O 4159 C CB . ARG B 143 ? 0.1959 0.1868 0.1999 -0.0134 0.0098 -0.0062 224 ARG B CB 4160 C CG . ARG B 143 ? 0.2027 0.1881 0.2017 -0.0146 0.0106 -0.0066 224 ARG B CG 4161 C CD . ARG B 143 ? 0.2075 0.1910 0.2067 -0.0118 0.0121 -0.0073 224 ARG B CD 4162 N NE . ARG B 143 ? 0.2137 0.1916 0.2079 -0.0127 0.0131 -0.0077 224 ARG B NE 4163 C CZ . ARG B 143 ? 0.2204 0.1916 0.2090 -0.0125 0.0139 -0.0078 224 ARG B CZ 4164 N NH1 . ARG B 143 ? 0.2279 0.1939 0.2117 -0.0133 0.0149 -0.0083 224 ARG B NH1 4165 N NH2 . ARG B 143 ? 0.2210 0.1898 0.2079 -0.0117 0.0135 -0.0075 224 ARG B NH2 4166 N N . THR B 144 ? 0.1824 0.1835 0.1921 -0.0176 0.0077 -0.0054 225 THR B N 4167 C CA . THR B 144 ? 0.1777 0.1825 0.1892 -0.0196 0.0069 -0.0050 225 THR B CA 4168 C C . THR B 144 ? 0.1718 0.1795 0.1865 -0.0186 0.0067 -0.0053 225 THR B C 4169 O O . THR B 144 ? 0.1719 0.1778 0.1863 -0.0170 0.0075 -0.0058 225 THR B O 4170 C CB . THR B 144 ? 0.1756 0.1843 0.1892 -0.0206 0.0063 -0.0045 225 THR B CB 4171 O OG1 . THR B 144 ? 0.1775 0.1895 0.1924 -0.0228 0.0054 -0.0041 225 THR B OG1 4172 C CG2 . THR B 144 ? 0.1731 0.1856 0.1908 -0.0183 0.0063 -0.0046 225 THR B CG2 4173 N N . GLN B 145 ? 0.1661 0.1782 0.1836 -0.0195 0.0058 -0.0050 226 GLN B N 4174 C CA . GLN B 145 ? 0.1640 0.1776 0.1830 -0.0194 0.0053 -0.0051 226 GLN B CA 4175 C C . GLN B 145 ? 0.1602 0.1753 0.1820 -0.0169 0.0059 -0.0056 226 GLN B C 4176 O O . GLN B 145 ? 0.1583 0.1723 0.1796 -0.0167 0.0061 -0.0059 226 GLN B O 4177 C CB . GLN B 145 ? 0.1631 0.1810 0.1844 -0.0208 0.0040 -0.0045 226 GLN B CB 4178 C CG . GLN B 145 ? 0.1693 0.1859 0.1878 -0.0237 0.0033 -0.0039 226 GLN B CG 4179 C CD . GLN B 145 ? 0.1701 0.1917 0.1914 -0.0251 0.0018 -0.0032 226 GLN B CD 4180 O OE1 . GLN B 145 ? 0.1825 0.2045 0.2026 -0.0276 0.0012 -0.0027 226 GLN B OE1 4181 N NE2 . GLN B 145 ? 0.1672 0.1927 0.1924 -0.0235 0.0014 -0.0032 226 GLN B NE2 4182 N N . GLU B 146 ? 0.1553 0.1728 0.1798 -0.0153 0.0060 -0.0056 227 GLU B N 4183 C CA . GLU B 146 ? 0.1547 0.1745 0.1822 -0.0134 0.0062 -0.0060 227 GLU B CA 4184 C C . GLU B 146 ? 0.1519 0.1745 0.1814 -0.0138 0.0053 -0.0058 227 GLU B C 4185 O O . GLU B 146 ? 0.1504 0.1736 0.1811 -0.0128 0.0054 -0.0061 227 GLU B O 4186 C CB . GLU B 146 ? 0.1579 0.1754 0.1848 -0.0122 0.0072 -0.0066 227 GLU B CB 4187 C CG . GLU B 146 ? 0.1640 0.1777 0.1881 -0.0119 0.0081 -0.0067 227 GLU B CG 4188 C CD . GLU B 146 ? 0.1672 0.1809 0.1915 -0.0110 0.0080 -0.0065 227 GLU B CD 4189 O OE1 . GLU B 146 ? 0.1621 0.1788 0.1887 -0.0107 0.0073 -0.0063 227 GLU B OE1 4190 O OE2 . GLU B 146 ? 0.1797 0.1899 0.2015 -0.0106 0.0086 -0.0066 227 GLU B OE2 4191 N N . SER B 147 ? 0.1528 0.1772 0.1825 -0.0151 0.0044 -0.0053 228 SER B N 4192 C CA . SER B 147 ? 0.1501 0.1775 0.1820 -0.0151 0.0034 -0.0050 228 SER B CA 4193 C C . SER B 147 ? 0.1510 0.1814 0.1842 -0.0162 0.0027 -0.0044 228 SER B C 4194 O O . SER B 147 ? 0.1533 0.1832 0.1854 -0.0171 0.0031 -0.0042 228 SER B O 4195 C CB . SER B 147 ? 0.1527 0.1784 0.1830 -0.0159 0.0028 -0.0049 228 SER B CB 4196 O OG . SER B 147 ? 0.1529 0.1763 0.1802 -0.0180 0.0025 -0.0046 228 SER B OG 4197 N N . GLU B 148 ? 0.1505 0.1842 0.1860 -0.0160 0.0017 -0.0040 229 GLU B N 4198 C CA . GLU B 148 ? 0.1510 0.1887 0.1888 -0.0165 0.0013 -0.0035 229 GLU B CA 4199 C C . GLU B 148 ? 0.1568 0.1944 0.1930 -0.0192 0.0008 -0.0029 229 GLU B C 4200 O O . GLU B 148 ? 0.1598 0.1951 0.1937 -0.0206 0.0000 -0.0028 229 GLU B O 4201 C CB . GLU B 148 ? 0.1493 0.1908 0.1903 -0.0153 0.0004 -0.0032 229 GLU B CB 4202 C CG . GLU B 148 ? 0.1512 0.1928 0.1919 -0.0161 -0.0012 -0.0027 229 GLU B CG 4203 C CD . GLU B 148 ? 0.1529 0.1987 0.1970 -0.0146 -0.0022 -0.0023 229 GLU B CD 4204 O OE1 . GLU B 148 ? 0.1520 0.1984 0.1963 -0.0152 -0.0038 -0.0017 229 GLU B OE1 4205 O OE2 . GLU B 148 ? 0.1533 0.2015 0.1999 -0.0129 -0.0014 -0.0025 229 GLU B OE2 4206 N N . CYS B 149 ? 0.1612 0.2009 0.1982 -0.0201 0.0012 -0.0027 230 CYS B N 4207 C CA . CYS B 149 ? 0.1674 0.2082 0.2037 -0.0229 0.0005 -0.0021 230 CYS B CA 4208 C C . CYS B 149 ? 0.1650 0.2114 0.2053 -0.0229 -0.0008 -0.0014 230 CYS B C 4209 O O . CYS B 149 ? 0.1635 0.2119 0.2064 -0.0206 -0.0010 -0.0016 230 CYS B O 4210 C CB . CYS B 149 ? 0.1714 0.2122 0.2067 -0.0241 0.0016 -0.0020 230 CYS B CB 4211 S SG . CYS B 149 ? 0.1735 0.2171 0.2116 -0.0219 0.0030 -0.0024 230 CYS B SG 4212 N N . VAL B 150 ? 0.1674 0.2162 0.2080 -0.0256 -0.0017 -0.0007 231 VAL B N 4213 C CA . VAL B 150 ? 0.1677 0.2221 0.2123 -0.0257 -0.0032 0.0000 231 VAL B CA 4214 C C . VAL B 150 ? 0.1706 0.2299 0.2175 -0.0278 -0.0031 0.0006 231 VAL B C 4215 O O . VAL B 150 ? 0.1654 0.2226 0.2093 -0.0307 -0.0028 0.0007 231 VAL B O 4216 C CB . VAL B 150 ? 0.1720 0.2243 0.2143 -0.0273 -0.0052 0.0004 231 VAL B CB 4217 C CG1 . VAL B 150 ? 0.1733 0.2315 0.2199 -0.0272 -0.0072 0.0013 231 VAL B CG1 4218 C CG2 . VAL B 150 ? 0.1740 0.2209 0.2133 -0.0256 -0.0051 -0.0002 231 VAL B CG2 4219 N N . CYS B 151 ? 0.1761 0.2420 0.2284 -0.0264 -0.0032 0.0009 232 CYS B N 4220 C CA . CYS B 151 ? 0.1840 0.2558 0.2395 -0.0282 -0.0028 0.0014 232 CYS B CA 4221 C C . CYS B 151 ? 0.1847 0.2630 0.2449 -0.0285 -0.0047 0.0023 232 CYS B C 4222 O O . CYS B 151 ? 0.1768 0.2568 0.2395 -0.0256 -0.0056 0.0023 232 CYS B O 4223 C CB . CYS B 151 ? 0.1914 0.2658 0.2495 -0.0260 -0.0006 0.0009 232 CYS B CB 4224 S SG . CYS B 151 ? 0.2026 0.2700 0.2562 -0.0245 0.0014 -0.0002 232 CYS B SG 4225 N N . ILE B 152 ? 0.1867 0.2684 0.2477 -0.0319 -0.0056 0.0031 233 ILE B N 4226 C CA . ILE B 152 ? 0.1915 0.2806 0.2577 -0.0325 -0.0074 0.0041 233 ILE B CA 4227 C C . ILE B 152 ? 0.1967 0.2925 0.2666 -0.0346 -0.0063 0.0044 233 ILE B C 4228 O O . ILE B 152 ? 0.1975 0.2910 0.2640 -0.0381 -0.0056 0.0045 233 ILE B O 4229 C CB . ILE B 152 ? 0.1938 0.2810 0.2574 -0.0354 -0.0103 0.0048 233 ILE B CB 4230 C CG1 . ILE B 152 ? 0.1919 0.2729 0.2521 -0.0332 -0.0113 0.0045 233 ILE B CG1 4231 C CG2 . ILE B 152 ? 0.1947 0.2904 0.2641 -0.0364 -0.0125 0.0060 233 ILE B CG2 4232 C CD1 . ILE B 152 ? 0.1946 0.2723 0.2510 -0.0360 -0.0139 0.0051 233 ILE B CD1 4233 N N . ASN B 153 ? 0.2025 0.3061 0.2791 -0.0324 -0.0059 0.0047 234 ASN B N 4234 C CA . ASN B 153 ? 0.2113 0.3224 0.2924 -0.0340 -0.0045 0.0050 234 ASN B CA 4235 C C . ASN B 153 ? 0.2107 0.3186 0.2883 -0.0356 -0.0017 0.0043 234 ASN B C 4236 O O . ASN B 153 ? 0.2146 0.3254 0.2926 -0.0392 -0.0010 0.0047 234 ASN B O 4237 C CB . ASN B 153 ? 0.2243 0.3403 0.3073 -0.0381 -0.0068 0.0062 234 ASN B CB 4238 C CG . ASN B 153 ? 0.2383 0.3649 0.3286 -0.0389 -0.0059 0.0068 234 ASN B CG 4239 O OD1 . ASN B 153 ? 0.2472 0.3783 0.3421 -0.0354 -0.0040 0.0064 234 ASN B OD1 4240 N ND2 . ASN B 153 ? 0.2511 0.3817 0.3423 -0.0435 -0.0072 0.0077 234 ASN B ND2 4241 N N . GLY B 154 ? 0.2010 0.3028 0.2752 -0.0329 -0.0001 0.0033 235 GLY B N 4242 C CA . GLY B 154 ? 0.2027 0.3011 0.2736 -0.0338 0.0025 0.0027 235 GLY B CA 4243 C C . GLY B 154 ? 0.2017 0.2922 0.2654 -0.0369 0.0023 0.0026 235 GLY B C 4244 O O . GLY B 154 ? 0.2074 0.2947 0.2678 -0.0379 0.0041 0.0021 235 GLY B O 4245 N N . THR B 155 ? 0.2008 0.2878 0.2617 -0.0384 0.0000 0.0029 236 THR B N 4246 C CA . THR B 155 ? 0.2031 0.2817 0.2568 -0.0408 -0.0001 0.0027 236 THR B CA 4247 C C . THR B 155 ? 0.1979 0.2703 0.2487 -0.0379 -0.0008 0.0021 236 THR B C 4248 O O . THR B 155 ? 0.1904 0.2637 0.2425 -0.0370 -0.0026 0.0024 236 THR B O 4249 C CB . THR B 155 ? 0.2141 0.2926 0.2658 -0.0453 -0.0020 0.0036 236 THR B CB 4250 O OG1 . THR B 155 ? 0.2140 0.2992 0.2690 -0.0482 -0.0015 0.0042 236 THR B OG1 4251 C CG2 . THR B 155 ? 0.2207 0.2897 0.2642 -0.0475 -0.0019 0.0033 236 THR B CG2 4252 N N . CYS B 156 ? 0.1981 0.2644 0.2449 -0.0367 0.0007 0.0014 237 CYS B N 4253 C CA . CYS B 156 ? 0.1996 0.2602 0.2436 -0.0341 0.0004 0.0008 237 CYS B CA 4254 C C . CYS B 156 ? 0.1990 0.2522 0.2366 -0.0364 0.0000 0.0007 237 CYS B C 4255 O O . CYS B 156 ? 0.2045 0.2552 0.2387 -0.0389 0.0008 0.0008 237 CYS B O 4256 C CB . CYS B 156 ? 0.2042 0.2631 0.2483 -0.0310 0.0022 0.0000 237 CYS B CB 4257 S SG . CYS B 156 ? 0.2122 0.2785 0.2628 -0.0280 0.0031 -0.0001 237 CYS B SG 4258 N N . THR B 157 ? 0.1901 0.2396 0.2256 -0.0356 -0.0010 0.0005 238 THR B N 4259 C CA . THR B 157 ? 0.1919 0.2341 0.2212 -0.0374 -0.0012 0.0003 238 THR B CA 4260 C C . THR B 157 ? 0.1902 0.2272 0.2174 -0.0344 -0.0003 -0.0005 238 THR B C 4261 O O . THR B 157 ? 0.1888 0.2277 0.2189 -0.0316 -0.0004 -0.0008 238 THR B O 4262 C CB . THR B 157 ? 0.1938 0.2354 0.2215 -0.0400 -0.0032 0.0009 238 THR B CB 4263 O OG1 . THR B 157 ? 0.1983 0.2323 0.2191 -0.0422 -0.0031 0.0007 238 THR B OG1 4264 C CG2 . THR B 157 ? 0.1914 0.2338 0.2209 -0.0379 -0.0044 0.0009 238 THR B CG2 4265 N N . VAL B 158 ? 0.1930 0.2235 0.2149 -0.0349 0.0005 -0.0009 239 VAL B N 4266 C CA . VAL B 158 ? 0.1937 0.2194 0.2136 -0.0322 0.0014 -0.0016 239 VAL B CA 4267 C C . VAL B 158 ? 0.1986 0.2169 0.2121 -0.0337 0.0017 -0.0019 239 VAL B C 4268 O O . VAL B 158 ? 0.2021 0.2179 0.2121 -0.0364 0.0017 -0.0015 239 VAL B O 4269 C CB . VAL B 158 ? 0.1938 0.2201 0.2153 -0.0298 0.0028 -0.0020 239 VAL B CB 4270 C CG1 . VAL B 158 ? 0.1982 0.2218 0.2163 -0.0316 0.0035 -0.0019 239 VAL B CG1 4271 C CG2 . VAL B 158 ? 0.1948 0.2178 0.2156 -0.0269 0.0034 -0.0028 239 VAL B CG2 4272 N N . VAL B 159 ? 0.1964 0.2110 0.2082 -0.0321 0.0019 -0.0024 240 VAL B N 4273 C CA . VAL B 159 ? 0.2033 0.2107 0.2090 -0.0330 0.0024 -0.0027 240 VAL B CA 4274 C C . VAL B 159 ? 0.2061 0.2098 0.2104 -0.0304 0.0039 -0.0034 240 VAL B C 4275 O O . VAL B 159 ? 0.1975 0.2033 0.2052 -0.0274 0.0045 -0.0038 240 VAL B O 4276 C CB . VAL B 159 ? 0.2018 0.2072 0.2062 -0.0329 0.0019 -0.0030 240 VAL B CB 4277 C CG1 . VAL B 159 ? 0.2092 0.2067 0.2068 -0.0340 0.0026 -0.0034 240 VAL B CG1 4278 C CG2 . VAL B 159 ? 0.2015 0.2110 0.2078 -0.0351 0.0000 -0.0022 240 VAL B CG2 4279 N N . MET B 160 ? 0.2165 0.2144 0.2156 -0.0314 0.0045 -0.0034 241 MET B N 4280 C CA . MET B 160 ? 0.2246 0.2186 0.2220 -0.0289 0.0058 -0.0039 241 MET B CA 4281 C C . MET B 160 ? 0.2273 0.2133 0.2181 -0.0293 0.0065 -0.0043 241 MET B C 4282 O O . MET B 160 ? 0.2330 0.2156 0.2194 -0.0324 0.0060 -0.0040 241 MET B O 4283 C CB . MET B 160 ? 0.2445 0.2390 0.2418 -0.0292 0.0060 -0.0036 241 MET B CB 4284 C CG . MET B 160 ? 0.2552 0.2571 0.2583 -0.0289 0.0055 -0.0032 241 MET B CG 4285 S SD . MET B 160 ? 0.2953 0.2969 0.2972 -0.0297 0.0060 -0.0028 241 MET B SD 4286 C CE . MET B 160 ? 0.2788 0.2747 0.2778 -0.0265 0.0068 -0.0033 241 MET B CE 4287 N N . THR B 161 ? 0.2210 0.2040 0.2112 -0.0262 0.0077 -0.0049 242 THR B N 4288 C CA . THR B 161 ? 0.2249 0.2002 0.2091 -0.0258 0.0087 -0.0054 242 THR B CA 4289 C C . THR B 161 ? 0.2251 0.1971 0.2079 -0.0233 0.0095 -0.0055 242 THR B C 4290 O O . THR B 161 ? 0.2201 0.1961 0.2074 -0.0210 0.0095 -0.0055 242 THR B O 4291 C CB . THR B 161 ? 0.2261 0.2010 0.2111 -0.0242 0.0096 -0.0060 242 THR B CB 4292 O OG1 . THR B 161 ? 0.2227 0.1998 0.2081 -0.0268 0.0085 -0.0058 242 THR B OG1 4293 C CG2 . THR B 161 ? 0.2338 0.2007 0.2127 -0.0234 0.0110 -0.0067 242 THR B CG2 4294 N N . ASP B 162 ? 0.2317 0.1960 0.2079 -0.0238 0.0101 -0.0056 243 ASP B N 4295 C CA . ASP B 162 ? 0.2369 0.1966 0.2107 -0.0211 0.0109 -0.0058 243 ASP B CA 4296 C C . ASP B 162 ? 0.2472 0.1988 0.2146 -0.0205 0.0121 -0.0064 243 ASP B C 4297 O O . ASP B 162 ? 0.2533 0.2006 0.2154 -0.0237 0.0120 -0.0063 243 ASP B O 4298 C CB . ASP B 162 ? 0.2399 0.1980 0.2109 -0.0230 0.0101 -0.0051 243 ASP B CB 4299 C CG . ASP B 162 ? 0.2437 0.1991 0.2140 -0.0199 0.0104 -0.0050 243 ASP B CG 4300 O OD1 . ASP B 162 ? 0.2442 0.1973 0.2146 -0.0163 0.0113 -0.0056 243 ASP B OD1 4301 O OD2 . ASP B 162 ? 0.2436 0.1992 0.2131 -0.0212 0.0097 -0.0044 243 ASP B OD2 4302 N N . GLY B 163 ? 0.2517 0.2013 0.2196 -0.0166 0.0134 -0.0069 244 GLY B N 4303 C CA . GLY B 163 ? 0.2646 0.2067 0.2269 -0.0154 0.0149 -0.0076 244 GLY B CA 4304 C C . GLY B 163 ? 0.2649 0.2097 0.2311 -0.0124 0.0164 -0.0084 244 GLY B C 4305 O O . GLY B 163 ? 0.2527 0.2048 0.2261 -0.0107 0.0162 -0.0084 244 GLY B O 4306 N N . SER B 164 ? 0.2795 0.2181 0.2408 -0.0119 0.0180 -0.0091 245 SER B N 4307 C CA . SER B 164 ? 0.2884 0.2284 0.2525 -0.0088 0.0200 -0.0100 245 SER B CA 4308 C C . SER B 164 ? 0.2841 0.2313 0.2539 -0.0099 0.0197 -0.0101 245 SER B C 4309 O O . SER B 164 ? 0.2787 0.2269 0.2474 -0.0134 0.0185 -0.0098 245 SER B O 4310 C CB . SER B 164 ? 0.3003 0.2314 0.2568 -0.0087 0.0219 -0.0108 245 SER B CB 4311 O OG . SER B 164 ? 0.3066 0.2393 0.2659 -0.0058 0.0241 -0.0117 245 SER B OG 4312 N N . ALA B 165 ? 0.2892 0.2414 0.2649 -0.0068 0.0207 -0.0105 246 ALA B N 4313 C CA . ALA B 165 ? 0.2918 0.2499 0.2723 -0.0074 0.0209 -0.0107 246 ALA B CA 4314 C C . ALA B 165 ? 0.3028 0.2568 0.2796 -0.0075 0.0230 -0.0116 246 ALA B C 4315 O O . ALA B 165 ? 0.3038 0.2614 0.2832 -0.0083 0.0233 -0.0119 246 ALA B O 4316 C CB . ALA B 165 ? 0.2880 0.2533 0.2762 -0.0044 0.0209 -0.0107 246 ALA B CB 4317 N N . SER B 166 ? 0.3154 0.2618 0.2860 -0.0065 0.0246 -0.0121 247 SER B N 4318 C CA . SER B 166 ? 0.3309 0.2727 0.2977 -0.0062 0.0271 -0.0131 247 SER B CA 4319 C C . SER B 166 ? 0.3405 0.2724 0.2975 -0.0082 0.0276 -0.0133 247 SER B C 4320 O O . SER B 166 ? 0.3571 0.2830 0.3095 -0.0068 0.0300 -0.0142 247 SER B O 4321 C CB . SER B 166 ? 0.3349 0.2778 0.3050 -0.0015 0.0296 -0.0139 247 SER B CB 4322 O OG . SER B 166 ? 0.3440 0.2828 0.3118 0.0009 0.0296 -0.0137 247 SER B OG 4323 N N . GLY B 167 ? 0.3348 0.2651 0.2887 -0.0116 0.0252 -0.0125 248 GLY B N 4324 C CA . GLY B 167 ? 0.3406 0.2615 0.2851 -0.0141 0.0252 -0.0126 248 GLY B CA 4325 C C . GLY B 167 ? 0.3374 0.2598 0.2811 -0.0182 0.0222 -0.0115 248 GLY B C 4326 O O . GLY B 167 ? 0.3208 0.2513 0.2713 -0.0186 0.0206 -0.0108 248 GLY B O 4327 N N . ARG B 168 ? 0.3442 0.2590 0.2797 -0.0214 0.0217 -0.0113 249 ARG B N 4328 C CA . ARG B 168 ? 0.3512 0.2674 0.2858 -0.0256 0.0190 -0.0103 249 ARG B CA 4329 C C . ARG B 168 ? 0.3311 0.2526 0.2710 -0.0244 0.0178 -0.0095 249 ARG B C 4330 O O . ARG B 168 ? 0.3236 0.2421 0.2626 -0.0214 0.0187 -0.0097 249 ARG B O 4331 C CB . ARG B 168 ? 0.3852 0.2914 0.3094 -0.0290 0.0187 -0.0102 249 ARG B CB 4332 C CG . ARG B 168 ? 0.4080 0.3164 0.3314 -0.0342 0.0159 -0.0092 249 ARG B CG 4333 C CD . ARG B 168 ? 0.4429 0.3421 0.3561 -0.0384 0.0155 -0.0092 249 ARG B CD 4334 N NE . ARG B 168 ? 0.4741 0.3695 0.3835 -0.0389 0.0166 -0.0099 249 ARG B NE 4335 C CZ . ARG B 168 ? 0.4908 0.3913 0.4034 -0.0407 0.0154 -0.0097 249 ARG B CZ 4336 N NH1 . ARG B 168 ? 0.4952 0.4054 0.4154 -0.0420 0.0132 -0.0088 249 ARG B NH1 4337 N NH2 . ARG B 168 ? 0.4998 0.3956 0.4078 -0.0411 0.0166 -0.0104 249 ARG B NH2 4338 N N . ALA B 169 ? 0.3122 0.2413 0.2575 -0.0266 0.0157 -0.0087 250 ALA B N 4339 C CA . ALA B 169 ? 0.2999 0.2345 0.2502 -0.0259 0.0145 -0.0080 250 ALA B CA 4340 C C . ALA B 169 ? 0.2982 0.2341 0.2472 -0.0305 0.0124 -0.0071 250 ALA B C 4341 O O . ALA B 169 ? 0.2996 0.2324 0.2440 -0.0341 0.0117 -0.0069 250 ALA B O 4342 C CB . ALA B 169 ? 0.2893 0.2330 0.2487 -0.0233 0.0145 -0.0081 250 ALA B CB 4343 N N . ASP B 170 ? 0.2892 0.2299 0.2423 -0.0304 0.0115 -0.0065 251 ASP B N 4344 C CA . ASP B 170 ? 0.2863 0.2289 0.2386 -0.0345 0.0098 -0.0056 251 ASP B CA 4345 C C . ASP B 170 ? 0.2662 0.2193 0.2271 -0.0347 0.0086 -0.0051 251 ASP B C 4346 O O . ASP B 170 ? 0.2556 0.2132 0.2214 -0.0327 0.0086 -0.0049 251 ASP B O 4347 C CB . ASP B 170 ? 0.2984 0.2367 0.2471 -0.0346 0.0098 -0.0052 251 ASP B CB 4348 C CG . ASP B 170 ? 0.3120 0.2511 0.2586 -0.0394 0.0084 -0.0044 251 ASP B CG 4349 O OD1 . ASP B 170 ? 0.3188 0.2652 0.2703 -0.0416 0.0072 -0.0039 251 ASP B OD1 4350 O OD2 . ASP B 170 ? 0.3253 0.2575 0.2654 -0.0410 0.0085 -0.0041 251 ASP B OD2 4351 N N . THR B 171 ? 0.2556 0.2118 0.2178 -0.0372 0.0075 -0.0048 252 THR B N 4352 C CA . THR B 171 ? 0.2421 0.2077 0.2120 -0.0373 0.0063 -0.0044 252 THR B CA 4353 C C . THR B 171 ? 0.2417 0.2107 0.2121 -0.0412 0.0047 -0.0035 252 THR B C 4354 O O . THR B 171 ? 0.2434 0.2085 0.2086 -0.0449 0.0039 -0.0031 252 THR B O 4355 C CB . THR B 171 ? 0.2390 0.2064 0.2106 -0.0370 0.0061 -0.0047 252 THR B CB 4356 O OG1 . THR B 171 ? 0.2373 0.2029 0.2096 -0.0331 0.0078 -0.0055 252 THR B OG1 4357 C CG2 . THR B 171 ? 0.2304 0.2068 0.2091 -0.0373 0.0046 -0.0041 252 THR B CG2 4358 N N . ARG B 172 ? 0.2317 0.2080 0.2083 -0.0405 0.0043 -0.0031 253 ARG B N 4359 C CA . ARG B 172 ? 0.2338 0.2146 0.2121 -0.0439 0.0031 -0.0022 253 ARG B CA 4360 C C . ARG B 172 ? 0.2229 0.2134 0.2095 -0.0430 0.0023 -0.0019 253 ARG B C 4361 O O . ARG B 172 ? 0.2144 0.2078 0.2053 -0.0394 0.0030 -0.0023 253 ARG B O 4362 C CB . ARG B 172 ? 0.2438 0.2224 0.2198 -0.0444 0.0038 -0.0020 253 ARG B CB 4363 C CG . ARG B 172 ? 0.2617 0.2302 0.2290 -0.0454 0.0045 -0.0022 253 ARG B CG 4364 C CD . ARG B 172 ? 0.2764 0.2419 0.2407 -0.0462 0.0050 -0.0020 253 ARG B CD 4365 N NE . ARG B 172 ? 0.2973 0.2523 0.2531 -0.0461 0.0057 -0.0023 253 ARG B NE 4366 C CZ . ARG B 172 ? 0.3083 0.2579 0.2591 -0.0469 0.0061 -0.0021 253 ARG B CZ 4367 N NH1 . ARG B 172 ? 0.3084 0.2621 0.2616 -0.0480 0.0059 -0.0015 253 ARG B NH1 4368 N NH2 . ARG B 172 ? 0.3205 0.2601 0.2633 -0.0464 0.0068 -0.0024 253 ARG B NH2 4369 N N . ILE B 173 ? 0.2207 0.2159 0.2092 -0.0462 0.0009 -0.0011 254 ILE B N 4370 C CA . ILE B 173 ? 0.2130 0.2172 0.2091 -0.0454 0.0001 -0.0007 254 ILE B CA 4371 C C . ILE B 173 ? 0.2121 0.2212 0.2110 -0.0469 0.0003 -0.0002 254 ILE B C 4372 O O . ILE B 173 ? 0.2121 0.2207 0.2084 -0.0507 -0.0003 0.0004 254 ILE B O 4373 C CB . ILE B 173 ? 0.2144 0.2209 0.2111 -0.0476 -0.0018 -0.0002 254 ILE B CB 4374 C CG1 . ILE B 173 ? 0.2170 0.2189 0.2111 -0.0459 -0.0017 -0.0008 254 ILE B CG1 4375 C CG2 . ILE B 173 ? 0.2075 0.2235 0.2120 -0.0470 -0.0028 0.0003 254 ILE B CG2 4376 C CD1 . ILE B 173 ? 0.2258 0.2182 0.2115 -0.0475 -0.0012 -0.0012 254 ILE B CD1 4377 N N . LEU B 174 ? 0.2098 0.2234 0.2137 -0.0439 0.0011 -0.0004 255 LEU B N 4378 C CA . LEU B 174 ? 0.2119 0.2299 0.2184 -0.0449 0.0017 -0.0001 255 LEU B CA 4379 C C . LEU B 174 ? 0.2049 0.2322 0.2183 -0.0451 0.0009 0.0004 255 LEU B C 4380 O O . LEU B 174 ? 0.2008 0.2313 0.2181 -0.0429 0.0003 0.0003 255 LEU B O 4381 C CB . LEU B 174 ? 0.2158 0.2326 0.2229 -0.0416 0.0032 -0.0006 255 LEU B CB 4382 C CG . LEU B 174 ? 0.2261 0.2345 0.2265 -0.0416 0.0041 -0.0009 255 LEU B CG 4383 C CD1 . LEU B 174 ? 0.2326 0.2347 0.2291 -0.0403 0.0040 -0.0014 255 LEU B CD1 4384 C CD2 . LEU B 174 ? 0.2293 0.2380 0.2311 -0.0388 0.0052 -0.0012 255 LEU B CD2 4385 N N . PHE B 175 ? 0.2058 0.2372 0.2206 -0.0479 0.0010 0.0010 256 PHE B N 4386 C CA . PHE B 175 ? 0.2029 0.2436 0.2248 -0.0480 0.0006 0.0015 256 PHE B CA 4387 C C . PHE B 175 ? 0.2060 0.2497 0.2300 -0.0473 0.0024 0.0014 256 PHE B C 4388 O O . PHE B 175 ? 0.2052 0.2459 0.2254 -0.0497 0.0033 0.0015 256 PHE B O 4389 C CB . PHE B 175 ? 0.2042 0.2481 0.2264 -0.0524 -0.0010 0.0024 256 PHE B CB 4390 C CG . PHE B 175 ? 0.2057 0.2460 0.2248 -0.0535 -0.0029 0.0026 256 PHE B CG 4391 C CD1 . PHE B 175 ? 0.2112 0.2427 0.2226 -0.0556 -0.0030 0.0024 256 PHE B CD1 4392 C CD2 . PHE B 175 ? 0.2017 0.2469 0.2254 -0.0523 -0.0045 0.0029 256 PHE B CD2 4393 C CE1 . PHE B 175 ? 0.2126 0.2402 0.2206 -0.0566 -0.0045 0.0025 256 PHE B CE1 4394 C CE2 . PHE B 175 ? 0.2056 0.2469 0.2259 -0.0535 -0.0063 0.0030 256 PHE B CE2 4395 C CZ . PHE B 175 ? 0.2106 0.2432 0.2230 -0.0557 -0.0062 0.0028 256 PHE B CZ 4396 N N . ILE B 176 ? 0.2056 0.2546 0.2352 -0.0440 0.0029 0.0011 257 ILE B N 4397 C CA . ILE B 176 ? 0.2089 0.2593 0.2399 -0.0423 0.0048 0.0008 257 ILE B CA 4398 C C . ILE B 176 ? 0.2060 0.2656 0.2441 -0.0415 0.0051 0.0010 257 ILE B C 4399 O O . ILE B 176 ? 0.2008 0.2642 0.2431 -0.0393 0.0042 0.0010 257 ILE B O 4400 C CB . ILE B 176 ? 0.2120 0.2581 0.2418 -0.0383 0.0053 0.0000 257 ILE B CB 4401 C CG1 . ILE B 176 ? 0.2211 0.2585 0.2445 -0.0386 0.0050 -0.0003 257 ILE B CG1 4402 C CG2 . ILE B 176 ? 0.2120 0.2588 0.2424 -0.0368 0.0071 -0.0004 257 ILE B CG2 4403 C CD1 . ILE B 176 ? 0.2251 0.2593 0.2483 -0.0349 0.0050 -0.0009 257 ILE B CD1 4404 N N . GLU B 177 ? 0.2104 0.2733 0.2494 -0.0434 0.0066 0.0012 258 GLU B N 4405 C CA . GLU B 177 ? 0.2131 0.2848 0.2587 -0.0428 0.0074 0.0014 258 GLU B CA 4406 C C . GLU B 177 ? 0.2103 0.2818 0.2559 -0.0408 0.0097 0.0008 258 GLU B C 4407 O O . GLU B 177 ? 0.2081 0.2761 0.2495 -0.0428 0.0110 0.0008 258 GLU B O 4408 C CB . GLU B 177 ? 0.2265 0.3035 0.2739 -0.0472 0.0072 0.0022 258 GLU B CB 4409 C CG . GLU B 177 ? 0.2388 0.3166 0.2865 -0.0492 0.0046 0.0029 258 GLU B CG 4410 C CD . GLU B 177 ? 0.2606 0.3438 0.3100 -0.0539 0.0040 0.0038 258 GLU B CD 4411 O OE1 . GLU B 177 ? 0.2704 0.3561 0.3201 -0.0561 0.0058 0.0039 258 GLU B OE1 4412 O OE2 . GLU B 177 ? 0.2833 0.3682 0.3337 -0.0556 0.0017 0.0045 258 GLU B OE2 4413 N N . GLU B 178 ? 0.2084 0.2827 0.2579 -0.0368 0.0102 0.0003 259 GLU B N 4414 C CA . GLU B 178 ? 0.2112 0.2845 0.2602 -0.0346 0.0122 -0.0003 259 GLU B CA 4415 C C . GLU B 178 ? 0.2061 0.2710 0.2484 -0.0349 0.0126 -0.0007 259 GLU B C 4416 O O . GLU B 178 ? 0.1996 0.2629 0.2394 -0.0356 0.0143 -0.0008 259 GLU B O 4417 C CB . GLU B 178 ? 0.2272 0.3069 0.2793 -0.0361 0.0142 -0.0001 259 GLU B CB 4418 C CG . GLU B 178 ? 0.2398 0.3286 0.2994 -0.0349 0.0140 0.0001 259 GLU B CG 4419 C CD . GLU B 178 ? 0.2590 0.3543 0.3220 -0.0359 0.0165 0.0002 259 GLU B CD 4420 O OE1 . GLU B 178 ? 0.2871 0.3858 0.3508 -0.0399 0.0167 0.0008 259 GLU B OE1 4421 O OE2 . GLU B 178 ? 0.2725 0.3694 0.3373 -0.0329 0.0183 -0.0004 259 GLU B OE2 4422 N N . GLY B 179 ? 0.2005 0.2597 0.2396 -0.0342 0.0111 -0.0008 260 GLY B N 4423 C CA . GLY B 179 ? 0.2024 0.2537 0.2356 -0.0338 0.0112 -0.0011 260 GLY B CA 4424 C C . GLY B 179 ? 0.2113 0.2576 0.2389 -0.0374 0.0110 -0.0006 260 GLY B C 4425 O O . GLY B 179 ? 0.2114 0.2507 0.2339 -0.0369 0.0108 -0.0008 260 GLY B O 4426 N N . LYS B 180 ? 0.2196 0.2695 0.2481 -0.0409 0.0111 -0.0001 261 LYS B N 4427 C CA . LYS B 180 ? 0.2346 0.2800 0.2576 -0.0449 0.0110 0.0004 261 LYS B CA 4428 C C . LYS B 180 ? 0.2266 0.2698 0.2480 -0.0466 0.0092 0.0007 261 LYS B C 4429 O O . LYS B 180 ? 0.2234 0.2722 0.2491 -0.0473 0.0082 0.0011 261 LYS B O 4430 C CB . LYS B 180 ? 0.2533 0.3042 0.2782 -0.0482 0.0123 0.0008 261 LYS B CB 4431 C CG . LYS B 180 ? 0.2834 0.3307 0.3031 -0.0531 0.0123 0.0014 261 LYS B CG 4432 C CD . LYS B 180 ? 0.3136 0.3515 0.3255 -0.0532 0.0128 0.0012 261 LYS B CD 4433 C CE . LYS B 180 ? 0.3404 0.3754 0.3471 -0.0582 0.0134 0.0018 261 LYS B CE 4434 N NZ . LYS B 180 ? 0.3588 0.3832 0.3570 -0.0582 0.0133 0.0017 261 LYS B NZ 4435 N N . ILE B 181 ? 0.2224 0.2572 0.2372 -0.0472 0.0087 0.0006 262 ILE B N 4436 C CA . ILE B 181 ? 0.2227 0.2542 0.2348 -0.0491 0.0072 0.0009 262 ILE B CA 4437 C C . ILE B 181 ? 0.2237 0.2575 0.2349 -0.0542 0.0069 0.0016 262 ILE B C 4438 O O . ILE B 181 ? 0.2258 0.2567 0.2328 -0.0568 0.0079 0.0019 262 ILE B O 4439 C CB . ILE B 181 ? 0.2273 0.2487 0.2321 -0.0484 0.0070 0.0006 262 ILE B CB 4440 C CG1 . ILE B 181 ? 0.2236 0.2431 0.2295 -0.0436 0.0073 -0.0001 262 ILE B CG1 4441 C CG2 . ILE B 181 ? 0.2321 0.2497 0.2333 -0.0506 0.0057 0.0008 262 ILE B CG2 4442 C CD1 . ILE B 181 ? 0.2309 0.2415 0.2305 -0.0424 0.0075 -0.0004 262 ILE B CD1 4443 N N . VAL B 182 ? 0.2207 0.2597 0.2356 -0.0556 0.0056 0.0021 263 VAL B N 4444 C CA . VAL B 182 ? 0.2253 0.2675 0.2400 -0.0607 0.0050 0.0028 263 VAL B CA 4445 C C . VAL B 182 ? 0.2313 0.2677 0.2405 -0.0637 0.0033 0.0032 263 VAL B C 4446 O O . VAL B 182 ? 0.2334 0.2697 0.2400 -0.0685 0.0028 0.0038 263 VAL B O 4447 C CB . VAL B 182 ? 0.2204 0.2739 0.2437 -0.0609 0.0047 0.0033 263 VAL B CB 4448 C CG1 . VAL B 182 ? 0.2192 0.2779 0.2470 -0.0585 0.0067 0.0030 263 VAL B CG1 4449 C CG2 . VAL B 182 ? 0.2178 0.2741 0.2451 -0.0583 0.0029 0.0033 263 VAL B CG2 4450 N N . HIS B 183 ? 0.2275 0.2589 0.2346 -0.0611 0.0024 0.0027 264 HIS B N 4451 C CA . HIS B 183 ? 0.2345 0.2594 0.2356 -0.0636 0.0010 0.0029 264 HIS B CA 4452 C C . HIS B 183 ? 0.2297 0.2479 0.2278 -0.0598 0.0010 0.0021 264 HIS B C 4453 O O . HIS B 183 ? 0.2186 0.2397 0.2212 -0.0556 0.0013 0.0016 264 HIS B O 4454 C CB . HIS B 183 ? 0.2392 0.2702 0.2441 -0.0659 -0.0010 0.0035 264 HIS B CB 4455 C CG . HIS B 183 ? 0.2541 0.2791 0.2524 -0.0701 -0.0025 0.0039 264 HIS B CG 4456 N ND1 . HIS B 183 ? 0.2637 0.2831 0.2583 -0.0692 -0.0036 0.0036 264 HIS B ND1 4457 C CD2 . HIS B 183 ? 0.2614 0.2848 0.2556 -0.0754 -0.0030 0.0045 264 HIS B CD2 4458 C CE1 . HIS B 183 ? 0.2667 0.2810 0.2551 -0.0736 -0.0047 0.0040 264 HIS B CE1 4459 N NE2 . HIS B 183 ? 0.2767 0.2933 0.2647 -0.0776 -0.0045 0.0046 264 HIS B NE2 4460 N N . ILE B 184 ? 0.2334 0.2424 0.2237 -0.0613 0.0008 0.0019 265 ILE B N 4461 C CA . ILE B 184 ? 0.2391 0.2415 0.2260 -0.0582 0.0010 0.0012 265 ILE B CA 4462 C C . ILE B 184 ? 0.2453 0.2426 0.2269 -0.0611 -0.0004 0.0014 265 ILE B C 4463 O O . ILE B 184 ? 0.2472 0.2396 0.2227 -0.0651 -0.0007 0.0017 265 ILE B O 4464 C CB . ILE B 184 ? 0.2481 0.2427 0.2298 -0.0561 0.0025 0.0007 265 ILE B CB 4465 C CG1 . ILE B 184 ? 0.2473 0.2465 0.2335 -0.0537 0.0036 0.0006 265 ILE B CG1 4466 C CG2 . ILE B 184 ? 0.2496 0.2383 0.2288 -0.0526 0.0028 -0.0001 265 ILE B CG2 4467 C CD1 . ILE B 184 ? 0.2553 0.2475 0.2368 -0.0517 0.0048 0.0002 265 ILE B CD1 4468 N N . SER B 185 ? 0.2380 0.2363 0.2215 -0.0594 -0.0012 0.0011 266 SER B N 4469 C CA . SER B 185 ? 0.2473 0.2405 0.2255 -0.0620 -0.0025 0.0012 266 SER B CA 4470 C C . SER B 185 ? 0.2499 0.2348 0.2232 -0.0590 -0.0015 0.0003 266 SER B C 4471 O O . SER B 185 ? 0.2475 0.2345 0.2247 -0.0547 -0.0007 -0.0003 266 SER B O 4472 C CB . SER B 185 ? 0.2444 0.2446 0.2277 -0.0629 -0.0045 0.0018 266 SER B CB 4473 O OG . SER B 185 ? 0.2471 0.2552 0.2350 -0.0660 -0.0055 0.0027 266 SER B OG 4474 N N . PRO B 186 ? 0.2595 0.2351 0.2242 -0.0611 -0.0013 0.0001 267 PRO B N 4475 C CA . PRO B 186 ? 0.2613 0.2295 0.2216 -0.0582 -0.0002 -0.0008 267 PRO B CA 4476 C C . PRO B 186 ? 0.2579 0.2279 0.2200 -0.0577 -0.0012 -0.0009 267 PRO B C 4477 O O . PRO B 186 ? 0.2518 0.2260 0.2155 -0.0608 -0.0032 -0.0002 267 PRO B O 4478 C CB . PRO B 186 ? 0.2759 0.2336 0.2261 -0.0612 0.0000 -0.0009 267 PRO B CB 4479 C CG . PRO B 186 ? 0.2808 0.2410 0.2300 -0.0667 -0.0017 0.0001 267 PRO B CG 4480 C CD . PRO B 186 ? 0.2702 0.2414 0.2285 -0.0662 -0.0020 0.0007 267 PRO B CD 4481 N N . LEU B 187 ? 0.2557 0.2229 0.2176 -0.0538 0.0001 -0.0018 268 LEU B N 4482 C CA . LEU B 187 ? 0.2549 0.2220 0.2168 -0.0536 -0.0005 -0.0020 268 LEU B CA 4483 C C . LEU B 187 ? 0.2649 0.2252 0.2188 -0.0579 -0.0017 -0.0018 268 LEU B C 4484 O O . LEU B 187 ? 0.2703 0.2227 0.2169 -0.0593 -0.0008 -0.0021 268 LEU B O 4485 C CB . LEU B 187 ? 0.2550 0.2185 0.2164 -0.0492 0.0015 -0.0031 268 LEU B CB 4486 C CG . LEU B 187 ? 0.2564 0.2184 0.2166 -0.0489 0.0013 -0.0034 268 LEU B CG 4487 C CD1 . LEU B 187 ? 0.2497 0.2205 0.2174 -0.0482 -0.0002 -0.0029 268 LEU B CD1 4488 C CD2 . LEU B 187 ? 0.2575 0.2145 0.2156 -0.0451 0.0038 -0.0046 268 LEU B CD2 4489 N N . SER B 188 ? 0.2648 0.2281 0.2199 -0.0599 -0.0036 -0.0013 269 SER B N 4490 C CA . SER B 188 ? 0.2822 0.2392 0.2297 -0.0640 -0.0049 -0.0011 269 SER B CA 4491 C C . SER B 188 ? 0.2779 0.2352 0.2258 -0.0632 -0.0057 -0.0012 269 SER B C 4492 O O . SER B 188 ? 0.2711 0.2348 0.2260 -0.0601 -0.0056 -0.0013 269 SER B O 4493 C CB . SER B 188 ? 0.2893 0.2503 0.2373 -0.0690 -0.0074 0.0001 269 SER B CB 4494 O OG . SER B 188 ? 0.3142 0.2690 0.2546 -0.0733 -0.0089 0.0004 269 SER B OG 4495 N N . GLY B 189 ? 0.2860 0.2359 0.2260 -0.0661 -0.0063 -0.0013 270 GLY B N 4496 C CA . GLY B 189 ? 0.2865 0.2352 0.2253 -0.0657 -0.0070 -0.0015 270 GLY B CA 4497 C C . GLY B 189 ? 0.2894 0.2296 0.2226 -0.0629 -0.0041 -0.0029 270 GLY B C 4498 O O . GLY B 189 ? 0.2945 0.2280 0.2226 -0.0622 -0.0020 -0.0036 270 GLY B O 4499 N N . SER B 190 ? 0.2834 0.2239 0.2175 -0.0612 -0.0038 -0.0032 271 SER B N 4500 C CA . SER B 190 ? 0.2863 0.2185 0.2143 -0.0594 -0.0011 -0.0044 271 SER B CA 4501 C C . SER B 190 ? 0.2785 0.2135 0.2118 -0.0541 0.0016 -0.0054 271 SER B C 4502 O O . SER B 190 ? 0.2811 0.2101 0.2103 -0.0522 0.0042 -0.0064 271 SER B O 4503 C CB . SER B 190 ? 0.2932 0.2219 0.2165 -0.0616 -0.0024 -0.0043 271 SER B CB 4504 O OG . SER B 190 ? 0.2880 0.2241 0.2181 -0.0600 -0.0036 -0.0039 271 SER B OG 4505 N N . ALA B 191 ? 0.2695 0.2132 0.2117 -0.0519 0.0012 -0.0050 272 ALA B N 4506 C CA . ALA B 191 ? 0.2638 0.2102 0.2110 -0.0472 0.0037 -0.0058 272 ALA B CA 4507 C C . ALA B 191 ? 0.2713 0.2122 0.2151 -0.0454 0.0061 -0.0065 272 ALA B C 4508 O O . ALA B 191 ? 0.2767 0.2169 0.2193 -0.0468 0.0055 -0.0061 272 ALA B O 4509 C CB . ALA B 191 ? 0.2538 0.2103 0.2106 -0.0454 0.0025 -0.0051 272 ALA B CB 4510 N N . GLN B 192 ? 0.2743 0.2114 0.2165 -0.0424 0.0089 -0.0076 273 GLN B N 4511 C CA . GLN B 192 ? 0.2833 0.2142 0.2216 -0.0404 0.0112 -0.0084 273 GLN B CA 4512 C C . GLN B 192 ? 0.2710 0.2068 0.2160 -0.0361 0.0126 -0.0086 273 GLN B C 4513 O O . GLN B 192 ? 0.2652 0.1969 0.2079 -0.0344 0.0140 -0.0090 273 GLN B O 4514 C CB . GLN B 192 ? 0.3023 0.2247 0.2334 -0.0398 0.0137 -0.0095 273 GLN B CB 4515 C CG . GLN B 192 ? 0.3217 0.2367 0.2438 -0.0442 0.0125 -0.0093 273 GLN B CG 4516 C CD . GLN B 192 ? 0.3441 0.2490 0.2577 -0.0435 0.0153 -0.0105 273 GLN B CD 4517 O OE1 . GLN B 192 ? 0.3666 0.2676 0.2786 -0.0404 0.0179 -0.0113 273 GLN B OE1 4518 N NE2 . GLN B 192 ? 0.3551 0.2555 0.2629 -0.0463 0.0149 -0.0106 273 GLN B NE2 4519 N N . HIS B 193 ? 0.2573 0.2013 0.2102 -0.0344 0.0121 -0.0084 274 HIS B N 4520 C CA . HIS B 193 ? 0.2490 0.1981 0.2085 -0.0308 0.0129 -0.0085 274 HIS B CA 4521 C C . HIS B 193 ? 0.2383 0.1966 0.2057 -0.0305 0.0113 -0.0079 274 HIS B C 4522 O O . HIS B 193 ? 0.2331 0.1935 0.2018 -0.0311 0.0108 -0.0079 274 HIS B O 4523 C CB . HIS B 193 ? 0.2500 0.1970 0.2097 -0.0271 0.0158 -0.0096 274 HIS B CB 4524 C CG . HIS B 193 ? 0.2480 0.1977 0.2121 -0.0236 0.0167 -0.0098 274 HIS B CG 4525 N ND1 . HIS B 193 ? 0.2420 0.1986 0.2136 -0.0209 0.0169 -0.0098 274 HIS B ND1 4526 C CD2 . HIS B 193 ? 0.2524 0.1985 0.2143 -0.0223 0.0172 -0.0098 274 HIS B CD2 4527 C CE1 . HIS B 193 ? 0.2432 0.2007 0.2171 -0.0182 0.0175 -0.0099 274 HIS B CE1 4528 N NE2 . HIS B 193 ? 0.2491 0.2003 0.2172 -0.0189 0.0177 -0.0098 274 HIS B NE2 4529 N N . ILE B 194 ? 0.2330 0.1961 0.2050 -0.0297 0.0105 -0.0074 275 ILE B N 4530 C CA . ILE B 194 ? 0.2253 0.1966 0.2042 -0.0296 0.0089 -0.0068 275 ILE B CA 4531 C C . ILE B 194 ? 0.2230 0.1986 0.2076 -0.0263 0.0097 -0.0070 275 ILE B C 4532 O O . ILE B 194 ? 0.2244 0.1988 0.2085 -0.0255 0.0100 -0.0069 275 ILE B O 4533 C CB . ILE B 194 ? 0.2246 0.1982 0.2036 -0.0328 0.0067 -0.0058 275 ILE B CB 4534 C CG1 . ILE B 194 ? 0.2283 0.1985 0.2023 -0.0364 0.0054 -0.0055 275 ILE B CG1 4535 C CG2 . ILE B 194 ? 0.2178 0.1998 0.2041 -0.0321 0.0054 -0.0052 275 ILE B CG2 4536 C CD1 . ILE B 194 ? 0.2258 0.1990 0.2019 -0.0368 0.0043 -0.0053 275 ILE B CD1 4537 N N . GLU B 195 ? 0.2191 0.1994 0.2087 -0.0245 0.0098 -0.0071 276 GLU B N 4538 C CA . GLU B 195 ? 0.2177 0.2028 0.2129 -0.0216 0.0102 -0.0072 276 GLU B CA 4539 C C . GLU B 195 ? 0.2057 0.1971 0.2061 -0.0217 0.0089 -0.0068 276 GLU B C 4540 O O . GLU B 195 ? 0.1979 0.1896 0.1978 -0.0228 0.0083 -0.0068 276 GLU B O 4541 C CB . GLU B 195 ? 0.2265 0.2099 0.2220 -0.0188 0.0123 -0.0081 276 GLU B CB 4542 C CG . GLU B 195 ? 0.2448 0.2215 0.2352 -0.0181 0.0139 -0.0086 276 GLU B CG 4543 C CD . GLU B 195 ? 0.2568 0.2333 0.2483 -0.0159 0.0142 -0.0086 276 GLU B CD 4544 O OE1 . GLU B 195 ? 0.2670 0.2476 0.2618 -0.0160 0.0129 -0.0080 276 GLU B OE1 4545 O OE2 . GLU B 195 ? 0.2701 0.2423 0.2590 -0.0140 0.0158 -0.0091 276 GLU B OE2 4546 N N . GLU B 196 ? 0.1971 0.1932 0.2020 -0.0204 0.0084 -0.0066 277 GLU B N 4547 C CA . GLU B 196 ? 0.1905 0.1922 0.2006 -0.0194 0.0077 -0.0064 277 GLU B CA 4548 C C . GLU B 196 ? 0.1885 0.1920 0.1988 -0.0213 0.0062 -0.0059 277 GLU B C 4549 O O . GLU B 196 ? 0.1844 0.1889 0.1958 -0.0209 0.0061 -0.0061 277 GLU B O 4550 C CB . GLU B 196 ? 0.1923 0.1941 0.2040 -0.0172 0.0091 -0.0071 277 GLU B CB 4551 C CG . GLU B 196 ? 0.1947 0.1959 0.2073 -0.0149 0.0102 -0.0075 277 GLU B CG 4552 C CD . GLU B 196 ? 0.1968 0.1984 0.2112 -0.0129 0.0116 -0.0081 277 GLU B CD 4553 O OE1 . GLU B 196 ? 0.1970 0.1976 0.2104 -0.0134 0.0123 -0.0085 277 GLU B OE1 4554 O OE2 . GLU B 196 ? 0.1977 0.2005 0.2144 -0.0108 0.0121 -0.0083 277 GLU B OE2 4555 N N . CYS B 197 ? 0.1868 0.1909 0.1961 -0.0235 0.0049 -0.0053 278 CYS B N 4556 C CA . CYS B 197 ? 0.1881 0.1942 0.1978 -0.0254 0.0032 -0.0047 278 CYS B CA 4557 C C . CYS B 197 ? 0.1792 0.1910 0.1941 -0.0240 0.0023 -0.0044 278 CYS B C 4558 O O . CYS B 197 ? 0.1721 0.1874 0.1905 -0.0225 0.0025 -0.0044 278 CYS B O 4559 C CB . CYS B 197 ? 0.1948 0.2011 0.2029 -0.0281 0.0020 -0.0040 278 CYS B CB 4560 S SG . CYS B 197 ? 0.2120 0.2107 0.2125 -0.0307 0.0024 -0.0042 278 CYS B SG 4561 N N . SER B 198 ? 0.1789 0.1909 0.1936 -0.0245 0.0013 -0.0042 279 SER B N 4562 C CA . SER B 198 ? 0.1746 0.1913 0.1935 -0.0234 0.0001 -0.0039 279 SER B CA 4563 C C . SER B 198 ? 0.1751 0.1942 0.1943 -0.0254 -0.0020 -0.0029 279 SER B C 4564 O O . SER B 198 ? 0.1740 0.1907 0.1903 -0.0271 -0.0031 -0.0026 279 SER B O 4565 C CB . SER B 198 ? 0.1787 0.1937 0.1969 -0.0224 0.0004 -0.0042 279 SER B CB 4566 O OG . SER B 198 ? 0.1786 0.1925 0.1973 -0.0206 0.0023 -0.0050 279 SER B OG 4567 N N . CYS B 199 ? 0.1735 0.1973 0.1963 -0.0253 -0.0025 -0.0025 280 CYS B N 4568 C CA . CYS B 199 ? 0.1783 0.2053 0.2022 -0.0273 -0.0043 -0.0016 280 CYS B CA 4569 C C . CYS B 199 ? 0.1729 0.2053 0.2015 -0.0258 -0.0057 -0.0011 280 CYS B C 4570 O O . CYS B 199 ? 0.1697 0.2041 0.2012 -0.0233 -0.0049 -0.0014 280 CYS B O 4571 C CB . CYS B 199 ? 0.1819 0.2105 0.2063 -0.0286 -0.0038 -0.0014 280 CYS B CB 4572 S SG . CYS B 199 ? 0.1909 0.2125 0.2093 -0.0300 -0.0022 -0.0020 280 CYS B SG 4573 N N . TYR B 200 ? 0.1727 0.2075 0.2020 -0.0275 -0.0078 -0.0002 281 TYR B N 4574 C CA . TYR B 200 ? 0.1688 0.2090 0.2027 -0.0260 -0.0092 0.0005 281 TYR B CA 4575 C C . TYR B 200 ? 0.1734 0.2183 0.2096 -0.0281 -0.0111 0.0015 281 TYR B C 4576 O O . TYR B 200 ? 0.1761 0.2188 0.2089 -0.0312 -0.0120 0.0018 281 TYR B O 4577 C CB . TYR B 200 ? 0.1680 0.2058 0.2005 -0.0248 -0.0103 0.0005 281 TYR B CB 4578 C CG . TYR B 200 ? 0.1712 0.2045 0.1987 -0.0273 -0.0118 0.0008 281 TYR B CG 4579 C CD1 . TYR B 200 ? 0.1732 0.2086 0.2012 -0.0288 -0.0145 0.0019 281 TYR B CD1 4580 C CD2 . TYR B 200 ? 0.1734 0.2001 0.1957 -0.0280 -0.0104 0.0001 281 TYR B CD2 4581 C CE1 . TYR B 200 ? 0.1785 0.2092 0.2013 -0.0312 -0.0159 0.0022 281 TYR B CE1 4582 C CE2 . TYR B 200 ? 0.1789 0.2009 0.1961 -0.0303 -0.0115 0.0003 281 TYR B CE2 4583 C CZ . TYR B 200 ? 0.1826 0.2064 0.1998 -0.0320 -0.0143 0.0014 281 TYR B CZ 4584 O OH . TYR B 200 ? 0.1916 0.2102 0.2031 -0.0344 -0.0155 0.0016 281 TYR B OH 4585 N N . PRO B 201 ? 0.1749 0.2263 0.2166 -0.0265 -0.0117 0.0020 282 PRO B N 4586 C CA . PRO B 201 ? 0.1783 0.2353 0.2230 -0.0284 -0.0136 0.0030 282 PRO B CA 4587 C C . PRO B 201 ? 0.1860 0.2419 0.2291 -0.0294 -0.0165 0.0039 282 PRO B C 4588 O O . PRO B 201 ? 0.1806 0.2350 0.2234 -0.0273 -0.0172 0.0038 282 PRO B O 4589 C CB . PRO B 201 ? 0.1723 0.2362 0.2235 -0.0256 -0.0132 0.0032 282 PRO B CB 4590 C CG . PRO B 201 ? 0.1698 0.2308 0.2205 -0.0221 -0.0121 0.0024 282 PRO B CG 4591 C CD . PRO B 201 ? 0.1705 0.2245 0.2159 -0.0229 -0.0106 0.0015 282 PRO B CD 4592 N N . ARG B 202 ? 0.1990 0.2553 0.2405 -0.0330 -0.0181 0.0046 283 ARG B N 4593 C CA . ARG B 202 ? 0.2136 0.2699 0.2539 -0.0344 -0.0213 0.0056 283 ARG B CA 4594 C C . ARG B 202 ? 0.2185 0.2816 0.2627 -0.0370 -0.0230 0.0067 283 ARG B C 4595 O O . ARG B 202 ? 0.2191 0.2803 0.2598 -0.0409 -0.0239 0.0070 283 ARG B O 4596 C CB . ARG B 202 ? 0.2289 0.2766 0.2614 -0.0369 -0.0215 0.0053 283 ARG B CB 4597 C CG . ARG B 202 ? 0.2437 0.2897 0.2738 -0.0379 -0.0247 0.0062 283 ARG B CG 4598 C CD . ARG B 202 ? 0.2596 0.2969 0.2814 -0.0406 -0.0247 0.0058 283 ARG B CD 4599 N NE . ARG B 202 ? 0.2730 0.3083 0.2922 -0.0415 -0.0277 0.0067 283 ARG B NE 4600 C CZ . ARG B 202 ? 0.2928 0.3307 0.3121 -0.0443 -0.0310 0.0079 283 ARG B CZ 4601 N NH1 . ARG B 202 ? 0.3004 0.3433 0.3227 -0.0466 -0.0315 0.0085 283 ARG B NH1 4602 N NH2 . ARG B 202 ? 0.3017 0.3371 0.3182 -0.0449 -0.0338 0.0087 283 ARG B NH2 4603 N N . TYR B 203 ? 0.2169 0.2879 0.2681 -0.0347 -0.0234 0.0072 284 TYR B N 4604 C CA . TYR B 203 ? 0.2262 0.3054 0.2827 -0.0366 -0.0243 0.0080 284 TYR B CA 4605 C C . TYR B 203 ? 0.2301 0.3093 0.2843 -0.0408 -0.0274 0.0092 284 TYR B C 4606 O O . TYR B 203 ? 0.2334 0.3102 0.2855 -0.0406 -0.0300 0.0097 284 TYR B O 4607 C CB . TYR B 203 ? 0.2293 0.3169 0.2937 -0.0331 -0.0249 0.0086 284 TYR B CB 4608 C CG . TYR B 203 ? 0.2335 0.3302 0.3040 -0.0347 -0.0249 0.0093 284 TYR B CG 4609 C CD1 . TYR B 203 ? 0.2351 0.3344 0.3080 -0.0343 -0.0218 0.0086 284 TYR B CD1 4610 C CD2 . TYR B 203 ? 0.2439 0.3466 0.3178 -0.0368 -0.0281 0.0107 284 TYR B CD2 4611 C CE1 . TYR B 203 ? 0.2434 0.3510 0.3216 -0.0361 -0.0215 0.0092 284 TYR B CE1 4612 C CE2 . TYR B 203 ? 0.2484 0.3600 0.3282 -0.0386 -0.0280 0.0113 284 TYR B CE2 4613 C CZ . TYR B 203 ? 0.2481 0.3621 0.3301 -0.0382 -0.0246 0.0105 284 TYR B CZ 4614 O OH . TYR B 203 ? 0.2568 0.3796 0.3445 -0.0401 -0.0242 0.0111 284 TYR B OH 4615 N N . PRO B 204 ? 0.2281 0.3096 0.2823 -0.0447 -0.0274 0.0095 285 PRO B N 4616 C CA . PRO B 204 ? 0.2222 0.3069 0.2787 -0.0455 -0.0247 0.0091 285 PRO B CA 4617 C C . PRO B 204 ? 0.2161 0.2927 0.2663 -0.0464 -0.0218 0.0078 285 PRO B C 4618 O O . PRO B 204 ? 0.2161 0.2944 0.2672 -0.0475 -0.0198 0.0075 285 PRO B O 4619 C CB . PRO B 204 ? 0.2261 0.3162 0.2845 -0.0501 -0.0268 0.0102 285 PRO B CB 4620 C CG . PRO B 204 ? 0.2333 0.3176 0.2856 -0.0530 -0.0296 0.0108 285 PRO B CG 4621 C CD . PRO B 204 ? 0.2364 0.3171 0.2876 -0.0492 -0.0305 0.0106 285 PRO B CD 4622 N N . GLY B 205 ? 0.2113 0.2792 0.2552 -0.0458 -0.0216 0.0072 286 GLY B N 4623 C CA . GLY B 205 ? 0.2043 0.2646 0.2422 -0.0465 -0.0191 0.0061 286 GLY B CA 4624 C C . GLY B 205 ? 0.1951 0.2512 0.2320 -0.0425 -0.0169 0.0049 286 GLY B C 4625 O O . GLY B 205 ? 0.1860 0.2455 0.2272 -0.0390 -0.0169 0.0049 286 GLY B O 4626 N N . VAL B 206 ? 0.1913 0.2401 0.2225 -0.0430 -0.0150 0.0040 287 VAL B N 4627 C CA . VAL B 206 ? 0.1868 0.2313 0.2166 -0.0396 -0.0130 0.0030 287 VAL B CA 4628 C C . VAL B 206 ? 0.1936 0.2296 0.2163 -0.0408 -0.0130 0.0025 287 VAL B C 4629 O O . VAL B 206 ? 0.1950 0.2269 0.2128 -0.0441 -0.0132 0.0026 287 VAL B O 4630 C CB . VAL B 206 ? 0.1846 0.2291 0.2153 -0.0384 -0.0103 0.0022 287 VAL B CB 4631 C CG1 . VAL B 206 ? 0.1799 0.2197 0.2088 -0.0354 -0.0084 0.0012 287 VAL B CG1 4632 C CG2 . VAL B 206 ? 0.1797 0.2325 0.2173 -0.0371 -0.0101 0.0026 287 VAL B CG2 4633 N N . ARG B 207 ? 0.1942 0.2273 0.2160 -0.0383 -0.0126 0.0020 288 ARG B N 4634 C CA . ARG B 207 ? 0.2016 0.2269 0.2169 -0.0390 -0.0121 0.0014 288 ARG B CA 4635 C C . ARG B 207 ? 0.1984 0.2206 0.2132 -0.0361 -0.0095 0.0003 288 ARG B C 4636 O O . ARG B 207 ? 0.1912 0.2168 0.2102 -0.0332 -0.0090 0.0001 288 ARG B O 4637 C CB . ARG B 207 ? 0.2112 0.2359 0.2255 -0.0393 -0.0144 0.0020 288 ARG B CB 4638 C CG . ARG B 207 ? 0.2226 0.2393 0.2301 -0.0401 -0.0139 0.0014 288 ARG B CG 4639 C CD . ARG B 207 ? 0.2360 0.2517 0.2413 -0.0417 -0.0167 0.0023 288 ARG B CD 4640 N NE . ARG B 207 ? 0.2453 0.2609 0.2481 -0.0456 -0.0188 0.0031 288 ARG B NE 4641 C CZ . ARG B 207 ? 0.2592 0.2752 0.2607 -0.0477 -0.0219 0.0042 288 ARG B CZ 4642 N NH1 . ARG B 207 ? 0.2622 0.2784 0.2643 -0.0461 -0.0234 0.0045 288 ARG B NH1 4643 N NH2 . ARG B 207 ? 0.2716 0.2875 0.2708 -0.0515 -0.0237 0.0049 288 ARG B NH2 4644 N N . CYS B 208 ? 0.1988 0.2145 0.2082 -0.0368 -0.0079 -0.0004 289 CYS B N 4645 C CA . CYS B 208 ? 0.2011 0.2138 0.2099 -0.0342 -0.0054 -0.0015 289 CYS B CA 4646 C C . CYS B 208 ? 0.2044 0.2105 0.2077 -0.0346 -0.0047 -0.0021 289 CYS B C 4647 O O . CYS B 208 ? 0.2096 0.2111 0.2077 -0.0372 -0.0052 -0.0019 289 CYS B O 4648 C CB . CYS B 208 ? 0.2033 0.2146 0.2113 -0.0342 -0.0037 -0.0019 289 CYS B CB 4649 S SG . CYS B 208 ? 0.2043 0.2223 0.2173 -0.0346 -0.0041 -0.0013 289 CYS B SG 4650 N N . ILE B 209 ? 0.2009 0.2064 0.2053 -0.0321 -0.0033 -0.0027 290 ILE B N 4651 C CA . ILE B 209 ? 0.2072 0.2067 0.2069 -0.0320 -0.0019 -0.0035 290 ILE B CA 4652 C C . ILE B 209 ? 0.1993 0.1979 0.2000 -0.0297 0.0007 -0.0044 290 ILE B C 4653 O O . ILE B 209 ? 0.1893 0.1920 0.1947 -0.0274 0.0012 -0.0045 290 ILE B O 4654 C CB . ILE B 209 ? 0.2142 0.2137 0.2141 -0.0313 -0.0025 -0.0034 290 ILE B CB 4655 C CG1 . ILE B 209 ? 0.2247 0.2225 0.2213 -0.0339 -0.0050 -0.0026 290 ILE B CG1 4656 C CG2 . ILE B 209 ? 0.2178 0.2125 0.2145 -0.0303 -0.0001 -0.0044 290 ILE B CG2 4657 C CD1 . ILE B 209 ? 0.2256 0.2283 0.2251 -0.0352 -0.0076 -0.0015 290 ILE B CD1 4658 N N . CYS B 210 ? 0.2035 0.1966 0.1995 -0.0302 0.0024 -0.0050 291 CYS B N 4659 C CA . CYS B 210 ? 0.1997 0.1920 0.1966 -0.0281 0.0045 -0.0057 291 CYS B CA 4660 C C . CYS B 210 ? 0.1983 0.1862 0.1924 -0.0268 0.0068 -0.0067 291 CYS B C 4661 O O . CYS B 210 ? 0.1944 0.1808 0.1870 -0.0272 0.0070 -0.0069 291 CYS B O 4662 C CB . CYS B 210 ? 0.2066 0.1969 0.2011 -0.0294 0.0044 -0.0055 291 CYS B CB 4663 S SG . CYS B 210 ? 0.2106 0.2057 0.2073 -0.0320 0.0017 -0.0043 291 CYS B SG 4664 N N . ARG B 211 ? 0.1958 0.1816 0.1893 -0.0252 0.0087 -0.0072 292 ARG B N 4665 C CA . ARG B 211 ? 0.1980 0.1804 0.1898 -0.0235 0.0112 -0.0082 292 ARG B CA 4666 C C . ARG B 211 ? 0.2066 0.1826 0.1926 -0.0241 0.0123 -0.0086 292 ARG B C 4667 O O . ARG B 211 ? 0.2058 0.1814 0.1917 -0.0239 0.0121 -0.0083 292 ARG B O 4668 C CB . ARG B 211 ? 0.1927 0.1793 0.1900 -0.0205 0.0122 -0.0085 292 ARG B CB 4669 C CG . ARG B 211 ? 0.1924 0.1766 0.1891 -0.0182 0.0148 -0.0094 292 ARG B CG 4670 C CD . ARG B 211 ? 0.1863 0.1754 0.1888 -0.0155 0.0151 -0.0095 292 ARG B CD 4671 N NE . ARG B 211 ? 0.1886 0.1762 0.1913 -0.0131 0.0173 -0.0102 292 ARG B NE 4672 C CZ . ARG B 211 ? 0.1837 0.1752 0.1913 -0.0107 0.0178 -0.0104 292 ARG B CZ 4673 N NH1 . ARG B 211 ? 0.1769 0.1736 0.1891 -0.0105 0.0164 -0.0099 292 ARG B NH1 4674 N NH2 . ARG B 211 ? 0.1865 0.1767 0.1943 -0.0084 0.0198 -0.0110 292 ARG B NH2 4675 N N . ASP B 212 ? 0.2163 0.1866 0.1969 -0.0250 0.0136 -0.0091 293 ASP B N 4676 C CA . ASP B 212 ? 0.2268 0.1901 0.2014 -0.0250 0.0153 -0.0097 293 ASP B CA 4677 C C . ASP B 212 ? 0.2284 0.1914 0.2048 -0.0216 0.0181 -0.0107 293 ASP B C 4678 O O . ASP B 212 ? 0.2270 0.1904 0.2040 -0.0209 0.0196 -0.0112 293 ASP B O 4679 C CB . ASP B 212 ? 0.2340 0.1912 0.2015 -0.0279 0.0152 -0.0098 293 ASP B CB 4680 C CG . ASP B 212 ? 0.2445 0.1933 0.2046 -0.0282 0.0170 -0.0105 293 ASP B CG 4681 O OD1 . ASP B 212 ? 0.2441 0.1914 0.2047 -0.0252 0.0194 -0.0112 293 ASP B OD1 4682 O OD2 . ASP B 212 ? 0.2521 0.1959 0.2061 -0.0313 0.0159 -0.0102 293 ASP B OD2 4683 N N . ASN B 213 ? 0.2341 0.1965 0.2113 -0.0195 0.0189 -0.0108 294 ASN B N 4684 C CA . ASN B 213 ? 0.2376 0.2008 0.2175 -0.0159 0.0213 -0.0116 294 ASN B CA 4685 C C . ASN B 213 ? 0.2473 0.2031 0.2213 -0.0149 0.0238 -0.0124 294 ASN B C 4686 O O . ASN B 213 ? 0.2491 0.2052 0.2251 -0.0116 0.0259 -0.0131 294 ASN B O 4687 C CB . ASN B 213 ? 0.2366 0.2040 0.2214 -0.0138 0.0205 -0.0111 294 ASN B CB 4688 C CG . ASN B 213 ? 0.2361 0.2087 0.2273 -0.0106 0.0216 -0.0115 294 ASN B CG 4689 O OD1 . ASN B 213 ? 0.2317 0.2088 0.2267 -0.0108 0.0215 -0.0115 294 ASN B OD1 4690 N ND2 . ASN B 213 ? 0.2398 0.2115 0.2318 -0.0077 0.0228 -0.0118 294 ASN B ND2 4691 N N . TRP B 214 ? 0.2555 0.2046 0.2221 -0.0176 0.0235 -0.0124 295 TRP B N 4692 C CA . TRP B 214 ? 0.2679 0.2087 0.2275 -0.0169 0.0256 -0.0132 295 TRP B CA 4693 C C . TRP B 214 ? 0.2746 0.2106 0.2290 -0.0182 0.0274 -0.0139 295 TRP B C 4694 O O . TRP B 214 ? 0.2802 0.2149 0.2347 -0.0157 0.0304 -0.0149 295 TRP B O 4695 C CB . TRP B 214 ? 0.2745 0.2102 0.2286 -0.0192 0.0239 -0.0126 295 TRP B CB 4696 C CG . TRP B 214 ? 0.2882 0.2142 0.2339 -0.0191 0.0257 -0.0132 295 TRP B CG 4697 C CD1 . TRP B 214 ? 0.2948 0.2165 0.2382 -0.0159 0.0289 -0.0143 295 TRP B CD1 4698 C CD2 . TRP B 214 ? 0.2995 0.2184 0.2374 -0.0223 0.0245 -0.0129 295 TRP B CD2 4699 N NE1 . TRP B 214 ? 0.3077 0.2196 0.2421 -0.0168 0.0297 -0.0147 295 TRP B NE1 4700 C CE2 . TRP B 214 ? 0.3106 0.2205 0.2413 -0.0209 0.0270 -0.0138 295 TRP B CE2 4701 C CE3 . TRP B 214 ? 0.3012 0.2209 0.2377 -0.0263 0.0215 -0.0118 295 TRP B CE3 4702 C CZ2 . TRP B 214 ? 0.3206 0.2215 0.2421 -0.0235 0.0265 -0.0137 295 TRP B CZ2 4703 C CZ3 . TRP B 214 ? 0.3115 0.2228 0.2393 -0.0290 0.0210 -0.0117 295 TRP B CZ3 4704 C CH2 . TRP B 214 ? 0.3227 0.2244 0.2428 -0.0277 0.0235 -0.0127 295 TRP B CH2 4705 N N . LYS B 215 ? 0.2756 0.2090 0.2255 -0.0221 0.0257 -0.0135 296 LYS B N 4706 C CA . LYS B 215 ? 0.2816 0.2091 0.2251 -0.0238 0.0272 -0.0142 296 LYS B CA 4707 C C . LYS B 215 ? 0.2714 0.2023 0.2163 -0.0262 0.0257 -0.0137 296 LYS B C 4708 O O . LYS B 215 ? 0.2737 0.1997 0.2132 -0.0277 0.0269 -0.0143 296 LYS B O 4709 C CB . LYS B 215 ? 0.2983 0.2166 0.2322 -0.0266 0.0267 -0.0141 296 LYS B CB 4710 C CG . LYS B 215 ? 0.3108 0.2235 0.2412 -0.0243 0.0286 -0.0147 296 LYS B CG 4711 C CD . LYS B 215 ? 0.3292 0.2315 0.2488 -0.0272 0.0284 -0.0149 296 LYS B CD 4712 C CE . LYS B 215 ? 0.3326 0.2356 0.2510 -0.0311 0.0248 -0.0136 296 LYS B CE 4713 N NZ . LYS B 215 ? 0.3495 0.2420 0.2570 -0.0342 0.0246 -0.0138 296 LYS B NZ 4714 N N . GLY B 216 ? 0.2552 0.1939 0.2069 -0.0265 0.0233 -0.0128 297 GLY B N 4715 C CA . GLY B 216 ? 0.2490 0.1904 0.2017 -0.0287 0.0214 -0.0123 297 GLY B CA 4716 C C . GLY B 216 ? 0.2387 0.1874 0.1989 -0.0268 0.0217 -0.0123 297 GLY B C 4717 O O . GLY B 216 ? 0.2314 0.1860 0.1981 -0.0246 0.0213 -0.0121 297 GLY B O 4718 N N . SER B 217 ? 0.2391 0.1870 0.1977 -0.0277 0.0224 -0.0126 298 SER B N 4719 C CA . SER B 217 ? 0.2314 0.1857 0.1960 -0.0270 0.0219 -0.0123 298 SER B CA 4720 C C . SER B 217 ? 0.2269 0.1827 0.1912 -0.0296 0.0184 -0.0112 298 SER B C 4721 O O . SER B 217 ? 0.2206 0.1815 0.1897 -0.0292 0.0172 -0.0108 298 SER B O 4722 C CB . SER B 217 ? 0.2349 0.1876 0.1984 -0.0263 0.0250 -0.0133 298 SER B CB 4723 O OG . SER B 217 ? 0.2416 0.1871 0.1970 -0.0287 0.0257 -0.0137 298 SER B OG 4724 N N . ASN B 218 ? 0.2306 0.1820 0.1894 -0.0323 0.0166 -0.0107 299 ASN B N 4725 C CA . ASN B 218 ? 0.2275 0.1815 0.1872 -0.0346 0.0128 -0.0095 299 ASN B CA 4726 C C . ASN B 218 ? 0.2208 0.1803 0.1860 -0.0337 0.0111 -0.0088 299 ASN B C 4727 O O . ASN B 218 ? 0.2227 0.1810 0.1877 -0.0326 0.0124 -0.0092 299 ASN B O 4728 C CB . ASN B 218 ? 0.2363 0.1839 0.1880 -0.0381 0.0113 -0.0091 299 ASN B CB 4729 C CG . ASN B 218 ? 0.2416 0.1827 0.1872 -0.0390 0.0125 -0.0096 299 ASN B CG 4730 O OD1 . ASN B 218 ? 0.2416 0.1814 0.1876 -0.0367 0.0153 -0.0105 299 ASN B OD1 4731 N ND2 . ASN B 218 ? 0.2466 0.1834 0.1863 -0.0425 0.0104 -0.0090 299 ASN B ND2 4732 N N . ARG B 219 ? 0.2137 0.1789 0.1836 -0.0339 0.0085 -0.0079 300 ARG B N 4733 C CA . ARG B 219 ? 0.2090 0.1799 0.1845 -0.0330 0.0072 -0.0073 300 ARG B CA 4734 C C . ARG B 219 ? 0.2177 0.1876 0.1907 -0.0357 0.0049 -0.0065 300 ARG B C 4735 O O . ARG B 219 ? 0.2169 0.1858 0.1872 -0.0382 0.0027 -0.0058 300 ARG B O 4736 C CB . ARG B 219 ? 0.2006 0.1784 0.1826 -0.0317 0.0056 -0.0067 300 ARG B CB 4737 C CG . ARG B 219 ? 0.1958 0.1757 0.1814 -0.0290 0.0077 -0.0074 300 ARG B CG 4738 C CD . ARG B 219 ? 0.1886 0.1752 0.1808 -0.0274 0.0064 -0.0069 300 ARG B CD 4739 N NE . ARG B 219 ? 0.1837 0.1721 0.1791 -0.0252 0.0084 -0.0076 300 ARG B NE 4740 C CZ . ARG B 219 ? 0.1820 0.1717 0.1799 -0.0232 0.0102 -0.0082 300 ARG B CZ 4741 N NH1 . ARG B 219 ? 0.1839 0.1728 0.1814 -0.0230 0.0104 -0.0082 300 ARG B NH1 4742 N NH2 . ARG B 219 ? 0.1792 0.1708 0.1800 -0.0215 0.0117 -0.0088 300 ARG B NH2 4743 N N . PRO B 220 ? 0.2203 0.1906 0.1941 -0.0353 0.0053 -0.0065 301 PRO B N 4744 C CA . PRO B 220 ? 0.2274 0.1973 0.1992 -0.0381 0.0032 -0.0057 301 PRO B CA 4745 C C . PRO B 220 ? 0.2263 0.2037 0.2039 -0.0386 0.0004 -0.0046 301 PRO B C 4746 O O . PRO B 220 ? 0.2231 0.2060 0.2068 -0.0363 0.0005 -0.0045 301 PRO B O 4747 C CB . PRO B 220 ? 0.2288 0.1971 0.2001 -0.0371 0.0047 -0.0061 301 PRO B CB 4748 C CG . PRO B 220 ? 0.2245 0.1945 0.1996 -0.0334 0.0071 -0.0069 301 PRO B CG 4749 C CD . PRO B 220 ? 0.2210 0.1911 0.1966 -0.0325 0.0078 -0.0073 301 PRO B CD 4750 N N . VAL B 221 ? 0.2320 0.2095 0.2077 -0.0418 -0.0019 -0.0037 302 VAL B N 4751 C CA . VAL B 221 ? 0.2315 0.2163 0.2127 -0.0425 -0.0046 -0.0026 302 VAL B CA 4752 C C . VAL B 221 ? 0.2353 0.2212 0.2166 -0.0443 -0.0050 -0.0022 302 VAL B C 4753 O O . VAL B 221 ? 0.2383 0.2183 0.2133 -0.0468 -0.0048 -0.0023 302 VAL B O 4754 C CB . VAL B 221 ? 0.2384 0.2231 0.2176 -0.0451 -0.0074 -0.0017 302 VAL B CB 4755 C CG1 . VAL B 221 ? 0.2358 0.2282 0.2207 -0.0459 -0.0102 -0.0005 302 VAL B CG1 4756 C CG2 . VAL B 221 ? 0.2416 0.2247 0.2201 -0.0436 -0.0071 -0.0020 302 VAL B CG2 4757 N N . VAL B 222 ? 0.2313 0.2242 0.2190 -0.0432 -0.0055 -0.0017 303 VAL B N 4758 C CA . VAL B 222 ? 0.2319 0.2268 0.2202 -0.0453 -0.0061 -0.0012 303 VAL B CA 4759 C C . VAL B 222 ? 0.2315 0.2344 0.2255 -0.0463 -0.0086 0.0000 303 VAL B C 4760 O O . VAL B 222 ? 0.2171 0.2257 0.2171 -0.0436 -0.0088 0.0001 303 VAL B O 4761 C CB . VAL B 222 ? 0.2296 0.2252 0.2200 -0.0431 -0.0040 -0.0017 303 VAL B CB 4762 C CG1 . VAL B 222 ? 0.2312 0.2286 0.2216 -0.0456 -0.0046 -0.0011 303 VAL B CG1 4763 C CG2 . VAL B 222 ? 0.2357 0.2238 0.2210 -0.0417 -0.0016 -0.0028 303 VAL B CG2 4764 N N . ASP B 223 ? 0.2416 0.2450 0.2337 -0.0500 -0.0106 0.0008 304 ASP B N 4765 C CA . ASP B 223 ? 0.2490 0.2605 0.2469 -0.0512 -0.0131 0.0020 304 ASP B CA 4766 C C . ASP B 223 ? 0.2443 0.2593 0.2442 -0.0530 -0.0128 0.0023 304 ASP B C 4767 O O . ASP B 223 ? 0.2466 0.2568 0.2410 -0.0560 -0.0126 0.0023 304 ASP B O 4768 C CB . ASP B 223 ? 0.2682 0.2786 0.2630 -0.0545 -0.0160 0.0028 304 ASP B CB 4769 C CG . ASP B 223 ? 0.2834 0.2931 0.2783 -0.0526 -0.0169 0.0028 304 ASP B CG 4770 O OD1 . ASP B 223 ? 0.2956 0.3092 0.2957 -0.0490 -0.0163 0.0026 304 ASP B OD1 4771 O OD2 . ASP B 223 ? 0.3153 0.3199 0.3046 -0.0549 -0.0184 0.0030 304 ASP B OD2 4772 N N . ILE B 224 ? 0.2342 0.2573 0.2415 -0.0512 -0.0128 0.0027 305 ILE B N 4773 C CA . ILE B 224 ? 0.2324 0.2593 0.2421 -0.0524 -0.0120 0.0029 305 ILE B CA 4774 C C . ILE B 224 ? 0.2326 0.2681 0.2479 -0.0543 -0.0143 0.0041 305 ILE B C 4775 O O . ILE B 224 ? 0.2237 0.2655 0.2451 -0.0519 -0.0151 0.0044 305 ILE B O 4776 C CB . ILE B 224 ? 0.2244 0.2536 0.2381 -0.0484 -0.0097 0.0022 305 ILE B CB 4777 C CG1 . ILE B 224 ? 0.2250 0.2467 0.2342 -0.0462 -0.0076 0.0011 305 ILE B CG1 4778 C CG2 . ILE B 224 ? 0.2250 0.2577 0.2407 -0.0498 -0.0087 0.0024 305 ILE B CG2 4779 C CD1 . ILE B 224 ? 0.2169 0.2405 0.2299 -0.0423 -0.0057 0.0004 305 ILE B CD1 4780 N N . ASN B 225 ? 0.2411 0.2767 0.2541 -0.0587 -0.0153 0.0047 306 ASN B N 4781 C CA . ASN B 225 ? 0.2484 0.2928 0.2670 -0.0609 -0.0172 0.0059 306 ASN B CA 4782 C C . ASN B 225 ? 0.2513 0.3017 0.2751 -0.0601 -0.0153 0.0058 306 ASN B C 4783 O O . ASN B 225 ? 0.2508 0.2978 0.2711 -0.0619 -0.0137 0.0055 306 ASN B O 4784 C CB . ASN B 225 ? 0.2579 0.2998 0.2715 -0.0665 -0.0192 0.0067 306 ASN B CB 4785 C CG . ASN B 225 ? 0.2608 0.3126 0.2807 -0.0691 -0.0217 0.0080 306 ASN B CG 4786 O OD1 . ASN B 225 ? 0.2614 0.3211 0.2880 -0.0682 -0.0208 0.0083 306 ASN B OD1 4787 N ND2 . ASN B 225 ? 0.2678 0.3191 0.2855 -0.0723 -0.0248 0.0089 306 ASN B ND2 4788 N N . MET B 226 ? 0.2606 0.3194 0.2923 -0.0572 -0.0154 0.0061 307 MET B N 4789 C CA . MET B 226 ? 0.2706 0.3351 0.3073 -0.0559 -0.0134 0.0059 307 MET B CA 4790 C C . MET B 226 ? 0.2961 0.3672 0.3358 -0.0599 -0.0140 0.0069 307 MET B C 4791 O O . MET B 226 ? 0.2998 0.3744 0.3420 -0.0600 -0.0121 0.0067 307 MET B O 4792 C CB . MET B 226 ? 0.2613 0.3317 0.3049 -0.0511 -0.0130 0.0058 307 MET B CB 4793 C CG . MET B 226 ? 0.2569 0.3213 0.2980 -0.0472 -0.0121 0.0048 307 MET B CG 4794 S SD . MET B 226 ? 0.2513 0.3088 0.2878 -0.0459 -0.0089 0.0036 307 MET B SD 4795 C CE . MET B 226 ? 0.2505 0.3155 0.2940 -0.0431 -0.0070 0.0034 307 MET B CE 4796 N N . GLU B 227 ? 0.3252 0.3981 0.3644 -0.0635 -0.0168 0.0079 308 GLU B N 4797 C CA . GLU B 227 ? 0.3494 0.4291 0.3916 -0.0679 -0.0178 0.0089 308 GLU B CA 4798 C C . GLU B 227 ? 0.3390 0.4125 0.3741 -0.0726 -0.0169 0.0088 308 GLU B C 4799 O O . GLU B 227 ? 0.3483 0.4260 0.3855 -0.0748 -0.0156 0.0090 308 GLU B O 4800 C CB . GLU B 227 ? 0.3826 0.4671 0.4274 -0.0700 -0.0215 0.0101 308 GLU B CB 4801 C CG . GLU B 227 ? 0.4138 0.5107 0.4689 -0.0683 -0.0226 0.0110 308 GLU B CG 4802 C CD . GLU B 227 ? 0.4365 0.5348 0.4952 -0.0629 -0.0233 0.0108 308 GLU B CD 4803 O OE1 . GLU B 227 ? 0.4654 0.5677 0.5271 -0.0630 -0.0265 0.0118 308 GLU B OE1 4804 O OE2 . GLU B 227 ? 0.4616 0.5567 0.5200 -0.0587 -0.0209 0.0097 308 GLU B OE2 4805 N N . ASP B 228 ? 0.3223 0.3857 0.3488 -0.0743 -0.0176 0.0084 309 ASP B N 4806 C CA . ASP B 228 ? 0.3152 0.3714 0.3339 -0.0788 -0.0169 0.0083 309 ASP B CA 4807 C C . ASP B 228 ? 0.3030 0.3481 0.3141 -0.0767 -0.0146 0.0071 309 ASP B C 4808 O O . ASP B 228 ? 0.3029 0.3404 0.3064 -0.0799 -0.0141 0.0069 309 ASP B O 4809 C CB . ASP B 228 ? 0.3248 0.3787 0.3390 -0.0839 -0.0199 0.0092 309 ASP B CB 4810 C CG . ASP B 228 ? 0.3290 0.3753 0.3378 -0.0827 -0.0214 0.0089 309 ASP B CG 4811 O OD1 . ASP B 228 ? 0.3120 0.3541 0.3198 -0.0782 -0.0198 0.0079 309 ASP B OD1 4812 O OD2 . ASP B 228 ? 0.3402 0.3848 0.3455 -0.0866 -0.0241 0.0096 309 ASP B OD2 4813 N N . TYR B 229 ? 0.2846 0.3289 0.2979 -0.0714 -0.0133 0.0063 310 TYR B N 4814 C CA . TYR B 229 ? 0.2797 0.3150 0.2874 -0.0687 -0.0110 0.0051 310 TYR B CA 4815 C C . TYR B 229 ? 0.2750 0.3001 0.2742 -0.0696 -0.0116 0.0047 310 TYR B C 4816 O O . TYR B 229 ? 0.2751 0.2922 0.2690 -0.0679 -0.0097 0.0038 310 TYR B O 4817 C CB . TYR B 229 ? 0.2895 0.3225 0.2946 -0.0700 -0.0089 0.0049 310 TYR B CB 4818 C CG . TYR B 229 ? 0.2934 0.3356 0.3059 -0.0694 -0.0078 0.0052 310 TYR B CG 4819 C CD1 . TYR B 229 ? 0.2906 0.3392 0.3103 -0.0649 -0.0072 0.0049 310 TYR B CD1 4820 C CD2 . TYR B 229 ? 0.3068 0.3509 0.3185 -0.0735 -0.0073 0.0057 310 TYR B CD2 4821 C CE1 . TYR B 229 ? 0.2941 0.3507 0.3201 -0.0642 -0.0060 0.0051 310 TYR B CE1 4822 C CE2 . TYR B 229 ? 0.3060 0.3584 0.3242 -0.0729 -0.0060 0.0059 310 TYR B CE2 4823 C CZ . TYR B 229 ? 0.3037 0.3623 0.3291 -0.0682 -0.0053 0.0056 310 TYR B CZ 4824 O OH . TYR B 229 ? 0.3137 0.3803 0.3453 -0.0675 -0.0038 0.0057 310 TYR B OH 4825 N N . SER B 230 ? 0.2666 0.2917 0.2644 -0.0722 -0.0141 0.0054 311 SER B N 4826 C CA . SER B 230 ? 0.2647 0.2799 0.2541 -0.0734 -0.0146 0.0050 311 SER B CA 4827 C C . SER B 230 ? 0.2563 0.2687 0.2460 -0.0686 -0.0138 0.0041 311 SER B C 4828 O O . SER B 230 ? 0.2438 0.2628 0.2404 -0.0653 -0.0140 0.0042 311 SER B O 4829 C CB . SER B 230 ? 0.2708 0.2866 0.2580 -0.0781 -0.0178 0.0060 311 SER B CB 4830 O OG . SER B 230 ? 0.2684 0.2923 0.2626 -0.0768 -0.0199 0.0067 311 SER B OG 4831 N N . ILE B 231 ? 0.2552 0.2575 0.2369 -0.0684 -0.0127 0.0033 312 ILE B N 4832 C CA . ILE B 231 ? 0.2547 0.2534 0.2358 -0.0641 -0.0113 0.0023 312 ILE B CA 4833 C C . ILE B 231 ? 0.2642 0.2558 0.2385 -0.0658 -0.0124 0.0022 312 ILE B C 4834 O O . ILE B 231 ? 0.2715 0.2568 0.2386 -0.0696 -0.0130 0.0023 312 ILE B O 4835 C CB . ILE B 231 ? 0.2512 0.2441 0.2293 -0.0614 -0.0084 0.0013 312 ILE B CB 4836 C CG1 . ILE B 231 ? 0.2445 0.2431 0.2279 -0.0604 -0.0073 0.0014 312 ILE B CG1 4837 C CG2 . ILE B 231 ? 0.2478 0.2382 0.2264 -0.0570 -0.0069 0.0003 312 ILE B CG2 4838 C CD1 . ILE B 231 ? 0.2359 0.2437 0.2284 -0.0571 -0.0074 0.0016 312 ILE B CD1 4839 N N . ASP B 232 ? 0.2644 0.2568 0.2406 -0.0631 -0.0127 0.0020 313 ASP B N 4840 C CA . ASP B 232 ? 0.2770 0.2618 0.2464 -0.0640 -0.0130 0.0016 313 ASP B CA 4841 C C . ASP B 232 ? 0.2639 0.2464 0.2340 -0.0593 -0.0107 0.0005 313 ASP B C 4842 O O . ASP B 232 ? 0.2556 0.2436 0.2322 -0.0558 -0.0097 0.0003 313 ASP B O 4843 C CB . ASP B 232 ? 0.2964 0.2846 0.2669 -0.0663 -0.0163 0.0027 313 ASP B CB 4844 C CG . ASP B 232 ? 0.3283 0.3076 0.2898 -0.0689 -0.0171 0.0025 313 ASP B CG 4845 O OD1 . ASP B 232 ? 0.3397 0.3100 0.2938 -0.0691 -0.0150 0.0015 313 ASP B OD1 4846 O OD2 . ASP B 232 ? 0.3578 0.3392 0.3196 -0.0706 -0.0199 0.0033 313 ASP B OD2 4847 N N . SER B 233 ? 0.2577 0.2318 0.2208 -0.0594 -0.0098 -0.0002 314 SER B N 4848 C CA . SER B 233 ? 0.2502 0.2222 0.2138 -0.0554 -0.0075 -0.0012 314 SER B CA 4849 C C . SER B 233 ? 0.2554 0.2200 0.2119 -0.0565 -0.0074 -0.0017 314 SER B C 4850 O O . SER B 233 ? 0.2570 0.2159 0.2065 -0.0602 -0.0084 -0.0015 314 SER B O 4851 C CB . SER B 233 ? 0.2479 0.2171 0.2110 -0.0527 -0.0045 -0.0022 314 SER B CB 4852 O OG . SER B 233 ? 0.2566 0.2169 0.2114 -0.0545 -0.0033 -0.0027 314 SER B OG 4853 N N . SER B 234 ? 0.2489 0.2135 0.2069 -0.0535 -0.0061 -0.0023 315 SER B N 4854 C CA . SER B 234 ? 0.2553 0.2135 0.2073 -0.0541 -0.0057 -0.0028 315 SER B CA 4855 C C . SER B 234 ? 0.2471 0.2061 0.2021 -0.0500 -0.0033 -0.0037 315 SER B C 4856 O O . SER B 234 ? 0.2386 0.2009 0.1984 -0.0470 -0.0015 -0.0041 315 SER B O 4857 C CB . SER B 234 ? 0.2584 0.2188 0.2101 -0.0569 -0.0093 -0.0016 315 SER B CB 4858 O OG . SER B 234 ? 0.2563 0.2254 0.2164 -0.0549 -0.0107 -0.0010 315 SER B OG 4859 N N . TYR B 235 ? 0.2498 0.2056 0.2017 -0.0501 -0.0031 -0.0039 316 TYR B N 4860 C CA . TYR B 235 ? 0.2462 0.2032 0.2011 -0.0468 -0.0010 -0.0047 316 TYR B CA 4861 C C . TYR B 235 ? 0.2443 0.2043 0.2010 -0.0472 -0.0033 -0.0040 316 TYR B C 4862 O O . TYR B 235 ? 0.2501 0.2081 0.2030 -0.0502 -0.0058 -0.0032 316 TYR B O 4863 C CB . TYR B 235 ? 0.2515 0.2006 0.2000 -0.0460 0.0023 -0.0060 316 TYR B CB 4864 C CG . TYR B 235 ? 0.2517 0.1985 0.1997 -0.0443 0.0049 -0.0068 316 TYR B CG 4865 C CD1 . TYR B 235 ? 0.2566 0.1985 0.1993 -0.0465 0.0046 -0.0068 316 TYR B CD1 4866 C CD2 . TYR B 235 ? 0.2462 0.1959 0.1991 -0.0405 0.0075 -0.0076 316 TYR B CD2 4867 C CE1 . TYR B 235 ? 0.2582 0.1975 0.2000 -0.0448 0.0069 -0.0074 316 TYR B CE1 4868 C CE2 . TYR B 235 ? 0.2473 0.1949 0.1997 -0.0387 0.0096 -0.0083 316 TYR B CE2 4869 C CZ . TYR B 235 ? 0.2540 0.1963 0.2009 -0.0407 0.0093 -0.0082 316 TYR B CZ 4870 O OH . TYR B 235 ? 0.2558 0.1955 0.2018 -0.0388 0.0112 -0.0087 316 TYR B OH 4871 N N . VAL B 236 ? 0.2375 0.2018 0.1996 -0.0442 -0.0024 -0.0042 317 VAL B N 4872 C CA . VAL B 236 ? 0.2369 0.2032 0.2003 -0.0442 -0.0041 -0.0037 317 VAL B CA 4873 C C . VAL B 236 ? 0.2480 0.2064 0.2031 -0.0463 -0.0039 -0.0040 317 VAL B C 4874 O O . VAL B 236 ? 0.2478 0.2006 0.1985 -0.0458 -0.0007 -0.0051 317 VAL B O 4875 C CB . VAL B 236 ? 0.2300 0.2006 0.1993 -0.0407 -0.0026 -0.0041 317 VAL B CB 4876 C CG1 . VAL B 236 ? 0.2322 0.2031 0.2013 -0.0407 -0.0040 -0.0037 317 VAL B CG1 4877 C CG2 . VAL B 236 ? 0.2212 0.1994 0.1983 -0.0388 -0.0032 -0.0037 317 VAL B CG2 4878 N N . CYS B 237 ? 0.2562 0.2141 0.2090 -0.0486 -0.0071 -0.0029 318 CYS B N 4879 C CA . CYS B 237 ? 0.2727 0.2227 0.2168 -0.0512 -0.0073 -0.0030 318 CYS B CA 4880 C C . CYS B 237 ? 0.2678 0.2148 0.2101 -0.0496 -0.0048 -0.0039 318 CYS B C 4881 O O . CYS B 237 ? 0.2738 0.2132 0.2086 -0.0510 -0.0029 -0.0047 318 CYS B O 4882 C CB . CYS B 237 ? 0.2832 0.2341 0.2260 -0.0538 -0.0118 -0.0015 318 CYS B CB 4883 S SG . CYS B 237 ? 0.3026 0.2539 0.2436 -0.0574 -0.0148 -0.0005 318 CYS B SG 4884 N N . SER B 238 ? 0.2584 0.2110 0.2071 -0.0470 -0.0048 -0.0038 319 SER B N 4885 C CA . SER B 238 ? 0.2557 0.2062 0.2031 -0.0459 -0.0029 -0.0044 319 SER B CA 4886 C C . SER B 238 ? 0.2609 0.2057 0.2038 -0.0456 0.0014 -0.0059 319 SER B C 4887 O O . SER B 238 ? 0.2559 0.2019 0.2013 -0.0439 0.0039 -0.0067 319 SER B O 4888 C CB . SER B 238 ? 0.2471 0.2046 0.2026 -0.0428 -0.0028 -0.0043 319 SER B CB 4889 O OG . SER B 238 ? 0.2437 0.1992 0.1980 -0.0420 -0.0008 -0.0050 319 SER B OG 4890 N N . GLY B 239 ? 0.2673 0.2058 0.2034 -0.0472 0.0023 -0.0063 320 GLY B N 4891 C CA . GLY B 239 ? 0.2722 0.2057 0.2044 -0.0467 0.0068 -0.0078 320 GLY B CA 4892 C C . GLY B 239 ? 0.2665 0.2045 0.2046 -0.0438 0.0094 -0.0085 320 GLY B C 4893 O O . GLY B 239 ? 0.2704 0.2064 0.2075 -0.0427 0.0134 -0.0097 320 GLY B O 4894 N N . LEU B 240 ? 0.2594 0.2033 0.2034 -0.0426 0.0072 -0.0077 321 LEU B N 4895 C CA . LEU B 240 ? 0.2540 0.2032 0.2046 -0.0399 0.0091 -0.0082 321 LEU B CA 4896 C C . LEU B 240 ? 0.2427 0.1978 0.2001 -0.0378 0.0089 -0.0081 321 LEU B C 4897 O O . LEU B 240 ? 0.2391 0.1987 0.2006 -0.0375 0.0059 -0.0071 321 LEU B O 4898 C CB . LEU B 240 ? 0.2549 0.2067 0.2078 -0.0397 0.0069 -0.0073 321 LEU B CB 4899 C CG . LEU B 240 ? 0.2671 0.2127 0.2128 -0.0420 0.0066 -0.0072 321 LEU B CG 4900 C CD1 . LEU B 240 ? 0.2674 0.2154 0.2153 -0.0415 0.0042 -0.0063 321 LEU B CD1 4901 C CD2 . LEU B 240 ? 0.2747 0.2160 0.2164 -0.0424 0.0110 -0.0086 321 LEU B CD2 4902 N N . VAL B 241 ? 0.2358 0.1907 0.1942 -0.0364 0.0122 -0.0092 322 VAL B N 4903 C CA . VAL B 241 ? 0.2262 0.1849 0.1893 -0.0347 0.0120 -0.0091 322 VAL B CA 4904 C C . VAL B 241 ? 0.2173 0.1831 0.1885 -0.0320 0.0124 -0.0092 322 VAL B C 4905 O O . VAL B 241 ? 0.2108 0.1779 0.1837 -0.0312 0.0138 -0.0096 322 VAL B O 4906 C CB . VAL B 241 ? 0.2295 0.1838 0.1890 -0.0344 0.0149 -0.0101 322 VAL B CB 4907 C CG1 . VAL B 241 ? 0.2375 0.1842 0.1882 -0.0374 0.0144 -0.0101 322 VAL B CG1 4908 C CG2 . VAL B 241 ? 0.2288 0.1829 0.1894 -0.0325 0.0189 -0.0114 322 VAL B CG2 4909 N N . GLY B 242 ? 0.2097 0.1797 0.1854 -0.0308 0.0112 -0.0088 323 GLY B N 4910 C CA . GLY B 242 ? 0.2026 0.1792 0.1856 -0.0286 0.0108 -0.0086 323 GLY B CA 4911 C C . GLY B 242 ? 0.2011 0.1802 0.1880 -0.0261 0.0132 -0.0094 323 GLY B C 4912 O O . GLY B 242 ? 0.1941 0.1784 0.1867 -0.0244 0.0130 -0.0093 323 GLY B O 4913 N N . ASP B 243 ? 0.2048 0.1803 0.1888 -0.0259 0.0153 -0.0101 324 ASP B N 4914 C CA . ASP B 243 ? 0.2039 0.1817 0.1917 -0.0234 0.0173 -0.0107 324 ASP B CA 4915 C C . ASP B 243 ? 0.2052 0.1838 0.1945 -0.0220 0.0202 -0.0116 324 ASP B C 4916 O O . ASP B 243 ? 0.2107 0.1868 0.1970 -0.0233 0.0210 -0.0118 324 ASP B O 4917 C CB . ASP B 243 ? 0.2096 0.1829 0.1934 -0.0234 0.0183 -0.0110 324 ASP B CB 4918 C CG . ASP B 243 ? 0.2066 0.1826 0.1943 -0.0211 0.0187 -0.0111 324 ASP B CG 4919 O OD1 . ASP B 243 ? 0.1998 0.1815 0.1936 -0.0194 0.0182 -0.0109 324 ASP B OD1 4920 O OD2 . ASP B 243 ? 0.2125 0.1845 0.1967 -0.0210 0.0194 -0.0113 324 ASP B OD2 4921 N N . THR B 244 ? 0.2018 0.1839 0.1959 -0.0195 0.0215 -0.0120 325 THR B N 4922 C CA . THR B 244 ? 0.2034 0.1867 0.1995 -0.0180 0.0245 -0.0128 325 THR B CA 4923 C C . THR B 244 ? 0.2027 0.1858 0.2000 -0.0156 0.0261 -0.0133 325 THR B C 4924 O O . THR B 244 ? 0.1984 0.1847 0.1995 -0.0142 0.0248 -0.0129 325 THR B O 4925 C CB . THR B 244 ? 0.1988 0.1882 0.2009 -0.0172 0.0239 -0.0126 325 THR B CB 4926 O OG1 . THR B 244 ? 0.1969 0.1862 0.1977 -0.0192 0.0220 -0.0121 325 THR B OG1 4927 C CG2 . THR B 244 ? 0.1999 0.1911 0.2043 -0.0161 0.0269 -0.0135 325 THR B CG2 4928 N N . PRO B 245 ? 0.2097 0.1890 0.2040 -0.0149 0.0291 -0.0142 326 PRO B N 4929 C CA . PRO B 245 ? 0.2166 0.1922 0.2065 -0.0163 0.0313 -0.0149 326 PRO B CA 4930 C C . PRO B 245 ? 0.2236 0.1927 0.2060 -0.0192 0.0302 -0.0147 326 PRO B C 4931 O O . PRO B 245 ? 0.2259 0.1930 0.2060 -0.0201 0.0281 -0.0140 326 PRO B O 4932 C CB . PRO B 245 ? 0.2211 0.1950 0.2107 -0.0140 0.0349 -0.0159 326 PRO B CB 4933 C CG . PRO B 245 ? 0.2222 0.1954 0.2123 -0.0122 0.0339 -0.0157 326 PRO B CG 4934 C CD . PRO B 245 ? 0.2130 0.1915 0.2080 -0.0123 0.0306 -0.0147 326 PRO B CD 4935 N N . ARG B 246 ? 0.2280 0.1940 0.2064 -0.0209 0.0318 -0.0151 327 ARG B N 4936 C CA . ARG B 246 ? 0.2375 0.1969 0.2081 -0.0238 0.0310 -0.0150 327 ARG B CA 4937 C C . ARG B 246 ? 0.2488 0.2043 0.2151 -0.0248 0.0341 -0.0159 327 ARG B C 4938 O O . ARG B 246 ? 0.2453 0.2047 0.2157 -0.0236 0.0363 -0.0164 327 ARG B O 4939 C CB . ARG B 246 ? 0.2318 0.1930 0.2030 -0.0258 0.0271 -0.0138 327 ARG B CB 4940 C CG . ARG B 246 ? 0.2268 0.1923 0.2018 -0.0259 0.0269 -0.0136 327 ARG B CG 4941 C CD . ARG B 246 ? 0.2261 0.1921 0.2003 -0.0279 0.0233 -0.0125 327 ARG B CD 4942 N NE . ARG B 246 ? 0.2224 0.1911 0.1990 -0.0281 0.0233 -0.0124 327 ARG B NE 4943 C CZ . ARG B 246 ? 0.2169 0.1917 0.2001 -0.0265 0.0226 -0.0122 327 ARG B CZ 4944 N NH1 . ARG B 246 ? 0.2182 0.1943 0.2022 -0.0272 0.0227 -0.0121 327 ARG B NH1 4945 N NH2 . ARG B 246 ? 0.2153 0.1943 0.2036 -0.0245 0.0219 -0.0120 327 ARG B NH2 4946 N N . ASN B 247 ? 0.2664 0.2146 0.2245 -0.0272 0.0342 -0.0160 328 ASN B N 4947 C CA . ASN B 247 ? 0.2788 0.2227 0.2319 -0.0287 0.0369 -0.0168 328 ASN B CA 4948 C C . ASN B 247 ? 0.2830 0.2291 0.2370 -0.0305 0.0353 -0.0161 328 ASN B C 4949 O O . ASN B 247 ? 0.2766 0.2260 0.2334 -0.0311 0.0315 -0.0150 328 ASN B O 4950 C CB . ASN B 247 ? 0.2912 0.2259 0.2343 -0.0310 0.0372 -0.0170 328 ASN B CB 4951 C CG . ASN B 247 ? 0.2984 0.2289 0.2387 -0.0292 0.0402 -0.0180 328 ASN B CG 4952 O OD1 . ASN B 247 ? 0.3021 0.2367 0.2480 -0.0260 0.0421 -0.0185 328 ASN B OD1 4953 N ND2 . ASN B 247 ? 0.3100 0.2319 0.2410 -0.0313 0.0406 -0.0183 328 ASN B ND2 4954 N N . ASP B 248 ? 0.2949 0.2390 0.2462 -0.0315 0.0382 -0.0169 329 ASP B N 4955 C CA . ASP B 248 ? 0.3077 0.2508 0.2566 -0.0340 0.0369 -0.0164 329 ASP B CA 4956 C C . ASP B 248 ? 0.3048 0.2431 0.2478 -0.0366 0.0330 -0.0153 329 ASP B C 4957 O O . ASP B 248 ? 0.3051 0.2382 0.2428 -0.0373 0.0326 -0.0154 329 ASP B O 4958 C CB . ASP B 248 ? 0.3283 0.2673 0.2725 -0.0351 0.0411 -0.0175 329 ASP B CB 4959 C CG . ASP B 248 ? 0.3459 0.2844 0.2882 -0.0375 0.0404 -0.0171 329 ASP B CG 4960 O OD1 . ASP B 248 ? 0.3556 0.2997 0.3036 -0.0368 0.0415 -0.0173 329 ASP B OD1 4961 O OD2 . ASP B 248 ? 0.3613 0.2934 0.2959 -0.0403 0.0388 -0.0166 329 ASP B OD2 4962 N N . ASP B 249 ? 0.3018 0.2415 0.2453 -0.0379 0.0301 -0.0144 330 ASP B N 4963 C CA . ASP B 249 ? 0.3147 0.2504 0.2531 -0.0403 0.0261 -0.0132 330 ASP B CA 4964 C C . ASP B 249 ? 0.3274 0.2541 0.2556 -0.0430 0.0270 -0.0135 330 ASP B C 4965 O O . ASP B 249 ? 0.3310 0.2539 0.2546 -0.0448 0.0239 -0.0127 330 ASP B O 4966 C CB . ASP B 249 ? 0.3163 0.2543 0.2562 -0.0411 0.0235 -0.0123 330 ASP B CB 4967 C CG . ASP B 249 ? 0.3156 0.2614 0.2642 -0.0389 0.0211 -0.0115 330 ASP B CG 4968 O OD1 . ASP B 249 ? 0.3218 0.2716 0.2754 -0.0369 0.0214 -0.0117 330 ASP B OD1 4969 O OD2 . ASP B 249 ? 0.3223 0.2697 0.2722 -0.0393 0.0188 -0.0107 330 ASP B OD2 4970 N N . SER B 250 ? 0.3320 0.2551 0.2565 -0.0435 0.0312 -0.0147 331 SER B N 4971 C CA . SER B 250 ? 0.3504 0.2642 0.2644 -0.0462 0.0325 -0.0152 331 SER B CA 4972 C C . SER B 250 ? 0.3508 0.2604 0.2612 -0.0457 0.0339 -0.0159 331 SER B C 4973 O O . SER B 250 ? 0.3652 0.2667 0.2664 -0.0482 0.0339 -0.0160 331 SER B O 4974 C CB . SER B 250 ? 0.3612 0.2725 0.2722 -0.0469 0.0368 -0.0163 331 SER B CB 4975 O OG . SER B 250 ? 0.3738 0.2874 0.2882 -0.0445 0.0415 -0.0177 331 SER B OG 4976 N N . SER B 251 ? 0.3373 0.2519 0.2542 -0.0427 0.0350 -0.0163 332 SER B N 4977 C CA . SER B 251 ? 0.3417 0.2520 0.2551 -0.0421 0.0365 -0.0169 332 SER B CA 4978 C C . SER B 251 ? 0.3277 0.2422 0.2462 -0.0406 0.0335 -0.0162 332 SER B C 4979 O O . SER B 251 ? 0.3329 0.2450 0.2500 -0.0395 0.0349 -0.0167 332 SER B O 4980 C CB . SER B 251 ? 0.3476 0.2578 0.2622 -0.0396 0.0420 -0.0186 332 SER B CB 4981 O OG . SER B 251 ? 0.3434 0.2627 0.2683 -0.0365 0.0428 -0.0186 332 SER B OG 4982 N N . SER B 252 ? 0.3110 0.2314 0.2350 -0.0408 0.0296 -0.0149 333 SER B N 4983 C CA . SER B 252 ? 0.2996 0.2242 0.2283 -0.0398 0.0266 -0.0140 333 SER B CA 4984 C C . SER B 252 ? 0.2989 0.2187 0.2214 -0.0429 0.0230 -0.0130 333 SER B C 4985 O O . SER B 252 ? 0.3006 0.2164 0.2175 -0.0456 0.0214 -0.0126 333 SER B O 4986 C CB . SER B 252 ? 0.2880 0.2214 0.2258 -0.0382 0.0244 -0.0132 333 SER B CB 4987 O OG . SER B 252 ? 0.2914 0.2249 0.2280 -0.0401 0.0217 -0.0123 333 SER B OG 4988 N N . ASN B 253 ? 0.2973 0.2174 0.2204 -0.0427 0.0216 -0.0127 334 ASN B N 4989 C CA . ASN B 253 ? 0.3006 0.2167 0.2182 -0.0459 0.0181 -0.0118 334 ASN B CA 4990 C C . ASN B 253 ? 0.2889 0.2103 0.2119 -0.0454 0.0153 -0.0109 334 ASN B C 4991 O O . ASN B 253 ? 0.2775 0.2028 0.2059 -0.0427 0.0168 -0.0113 334 ASN B O 4992 C CB . ASN B 253 ? 0.3178 0.2241 0.2255 -0.0476 0.0201 -0.0126 334 ASN B CB 4993 C CG . ASN B 253 ? 0.3326 0.2325 0.2334 -0.0487 0.0228 -0.0135 334 ASN B CG 4994 O OD1 . ASN B 253 ? 0.3360 0.2319 0.2311 -0.0518 0.0207 -0.0129 334 ASN B OD1 4995 N ND2 . ASN B 253 ? 0.3377 0.2365 0.2389 -0.0463 0.0276 -0.0150 334 ASN B ND2 4996 N N . SER B 254 ? 0.2842 0.2057 0.2055 -0.0481 0.0111 -0.0096 335 SER B N 4997 C CA . SER B 254 ? 0.2784 0.2031 0.2026 -0.0487 0.0086 -0.0087 335 SER B CA 4998 C C . SER B 254 ? 0.2855 0.2055 0.2028 -0.0528 0.0053 -0.0078 335 SER B C 4999 O O . SER B 254 ? 0.2844 0.2027 0.1987 -0.0547 0.0033 -0.0072 335 SER B O 5000 C CB . SER B 254 ? 0.2672 0.2016 0.2011 -0.0469 0.0063 -0.0078 335 SER B CB 5001 O OG . SER B 254 ? 0.2632 0.2007 0.1997 -0.0475 0.0042 -0.0071 335 SER B OG 5002 N N . ASN B 255 ? 0.2898 0.2073 0.2044 -0.0542 0.0046 -0.0077 336 ASN B N 5003 C CA . ASN B 255 ? 0.2998 0.2135 0.2083 -0.0585 0.0012 -0.0067 336 ASN B CA 5004 C C . ASN B 255 ? 0.2990 0.2200 0.2136 -0.0595 -0.0026 -0.0053 336 ASN B C 5005 O O . ASN B 255 ? 0.3031 0.2218 0.2135 -0.0631 -0.0054 -0.0045 336 ASN B O 5006 C CB . ASN B 255 ? 0.3114 0.2150 0.2101 -0.0604 0.0032 -0.0076 336 ASN B CB 5007 C CG . ASN B 255 ? 0.3093 0.2133 0.2096 -0.0592 0.0045 -0.0080 336 ASN B CG 5008 O OD1 . ASN B 255 ? 0.3015 0.2134 0.2102 -0.0572 0.0039 -0.0076 336 ASN B OD1 5009 N ND2 . ASN B 255 ? 0.3225 0.2174 0.2142 -0.0605 0.0064 -0.0088 336 ASN B ND2 5010 N N . CYS B 256 ? 0.2929 0.2227 0.2172 -0.0564 -0.0025 -0.0051 337 CYS B N 5011 C CA . CYS B 256 ? 0.2971 0.2348 0.2282 -0.0567 -0.0054 -0.0039 337 CYS B CA 5012 C C . CYS B 256 ? 0.2987 0.2357 0.2293 -0.0575 -0.0049 -0.0040 337 CYS B C 5013 O O . CYS B 256 ? 0.2869 0.2309 0.2238 -0.0573 -0.0066 -0.0032 337 CYS B O 5014 C CB . CYS B 256 ? 0.3047 0.2446 0.2355 -0.0599 -0.0100 -0.0024 337 CYS B CB 5015 S SG . CYS B 256 ? 0.3186 0.2570 0.2470 -0.0603 -0.0118 -0.0019 337 CYS B SG 5016 N N . ARG B 257 ? 0.3126 0.2411 0.2356 -0.0583 -0.0025 -0.0050 338 ARG B N 5017 C CA . ARG B 257 ? 0.3243 0.2504 0.2448 -0.0597 -0.0024 -0.0050 338 ARG B CA 5018 C C . ARG B 257 ? 0.3151 0.2385 0.2355 -0.0565 0.0015 -0.0063 338 ARG B C 5019 O O . ARG B 257 ? 0.3122 0.2378 0.2353 -0.0560 0.0016 -0.0061 338 ARG B O 5020 C CB . ARG B 257 ? 0.3505 0.2677 0.2606 -0.0643 -0.0037 -0.0048 338 ARG B CB 5021 C CG . ARG B 257 ? 0.3684 0.2881 0.2781 -0.0678 -0.0080 -0.0034 338 ARG B CG 5022 C CD . ARG B 257 ? 0.3933 0.3048 0.2929 -0.0728 -0.0097 -0.0031 338 ARG B CD 5023 N NE . ARG B 257 ? 0.4197 0.3200 0.3093 -0.0729 -0.0068 -0.0044 338 ARG B NE 5024 C CZ . ARG B 257 ? 0.4579 0.3527 0.3413 -0.0744 -0.0071 -0.0046 338 ARG B CZ 5025 N NH1 . ARG B 257 ? 0.4621 0.3611 0.3478 -0.0759 -0.0106 -0.0034 338 ARG B NH1 5026 N NH2 . ARG B 257 ? 0.4851 0.3697 0.3595 -0.0743 -0.0038 -0.0060 338 ARG B NH2 5027 N N . ASN B 258 ? 0.3103 0.2288 0.2275 -0.0543 0.0048 -0.0075 339 ASN B N 5028 C CA . ASN B 258 ? 0.3060 0.2209 0.2222 -0.0513 0.0085 -0.0087 339 ASN B CA 5029 C C . ASN B 258 ? 0.2973 0.2170 0.2201 -0.0470 0.0110 -0.0095 339 ASN B C 5030 O O . ASN B 258 ? 0.2899 0.2123 0.2148 -0.0468 0.0106 -0.0093 339 ASN B O 5031 C CB . ASN B 258 ? 0.3178 0.2214 0.2232 -0.0526 0.0108 -0.0098 339 ASN B CB 5032 C CG . ASN B 258 ? 0.3291 0.2265 0.2263 -0.0574 0.0083 -0.0091 339 ASN B CG 5033 O OD1 . ASN B 258 ? 0.3390 0.2302 0.2288 -0.0601 0.0078 -0.0092 339 ASN B OD1 5034 N ND2 . ASN B 258 ? 0.3295 0.2286 0.2279 -0.0589 0.0065 -0.0084 339 ASN B ND2 5035 N N . PRO B 259 ? 0.2918 0.2124 0.2176 -0.0436 0.0135 -0.0102 340 PRO B N 5036 C CA . PRO B 259 ? 0.2844 0.2084 0.2153 -0.0397 0.0163 -0.0110 340 PRO B CA 5037 C C . PRO B 259 ? 0.2906 0.2081 0.2154 -0.0397 0.0189 -0.0121 340 PRO B C 5038 O O . PRO B 259 ? 0.2945 0.2033 0.2106 -0.0413 0.0200 -0.0126 340 PRO B O 5039 C CB . PRO B 259 ? 0.2852 0.2091 0.2182 -0.0366 0.0183 -0.0115 340 PRO B CB 5040 C CG . PRO B 259 ? 0.2949 0.2116 0.2204 -0.0389 0.0177 -0.0114 340 PRO B CG 5041 C CD . PRO B 259 ? 0.2947 0.2121 0.2182 -0.0433 0.0141 -0.0103 340 PRO B CD 5042 N N . ASN B 260 ? 0.2805 0.2019 0.2094 -0.0382 0.0200 -0.0123 341 ASN B N 5043 C CA . ASN B 260 ? 0.2885 0.2043 0.2117 -0.0389 0.0222 -0.0132 341 ASN B CA 5044 C C . ASN B 260 ? 0.2975 0.2087 0.2181 -0.0360 0.0268 -0.0147 341 ASN B C 5045 O O . ASN B 260 ? 0.3047 0.2100 0.2192 -0.0368 0.0291 -0.0155 341 ASN B O 5046 C CB . ASN B 260 ? 0.2815 0.2025 0.2089 -0.0389 0.0214 -0.0128 341 ASN B CB 5047 C CG . ASN B 260 ? 0.2717 0.2010 0.2087 -0.0354 0.0225 -0.0130 341 ASN B CG 5048 O OD1 . ASN B 260 ? 0.2676 0.1989 0.2082 -0.0326 0.0241 -0.0134 341 ASN B OD1 5049 N ND2 . ASN B 260 ? 0.2670 0.2007 0.2077 -0.0355 0.0217 -0.0126 341 ASN B ND2 5050 N N . ASN B 261 ? 0.2987 0.2125 0.2237 -0.0328 0.0281 -0.0150 342 ASN B N 5051 C CA . ASN B 261 ? 0.3119 0.2227 0.2360 -0.0295 0.0324 -0.0164 342 ASN B CA 5052 C C . ASN B 261 ? 0.3126 0.2262 0.2397 -0.0278 0.0352 -0.0172 342 ASN B C 5053 O O . ASN B 261 ? 0.3165 0.2252 0.2397 -0.0265 0.0390 -0.0184 342 ASN B O 5054 C CB . ASN B 261 ? 0.3321 0.2320 0.2458 -0.0306 0.0341 -0.0171 342 ASN B CB 5055 C CG . ASN B 261 ? 0.3411 0.2383 0.2525 -0.0313 0.0322 -0.0165 342 ASN B CG 5056 O OD1 . ASN B 261 ? 0.3540 0.2540 0.2699 -0.0283 0.0328 -0.0166 342 ASN B OD1 5057 N ND2 . ASN B 261 ? 0.3572 0.2487 0.2613 -0.0354 0.0298 -0.0160 342 ASN B ND2 5058 N N . GLU B 262 ? 0.3030 0.2245 0.2371 -0.0279 0.0335 -0.0165 343 GLU B N 5059 C CA . GLU B 262 ? 0.3049 0.2300 0.2426 -0.0268 0.0357 -0.0170 343 GLU B CA 5060 C C . GLU B 262 ? 0.3005 0.2348 0.2484 -0.0237 0.0356 -0.0168 343 GLU B C 5061 O O . GLU B 262 ? 0.2925 0.2326 0.2455 -0.0243 0.0325 -0.0158 343 GLU B O 5062 C CB . GLU B 262 ? 0.3020 0.2270 0.2376 -0.0301 0.0336 -0.0164 343 GLU B CB 5063 C CG . GLU B 262 ? 0.3134 0.2291 0.2384 -0.0334 0.0336 -0.0166 343 GLU B CG 5064 C CD . GLU B 262 ? 0.3130 0.2285 0.2358 -0.0367 0.0306 -0.0157 343 GLU B CD 5065 O OE1 . GLU B 262 ? 0.3060 0.2285 0.2354 -0.0365 0.0283 -0.0148 343 GLU B OE1 5066 O OE2 . GLU B 262 ? 0.3244 0.2323 0.2384 -0.0396 0.0306 -0.0158 343 GLU B OE2 5067 N N . ARG B 263 ? 0.3123 0.2481 0.2634 -0.0204 0.0390 -0.0178 344 ARG B N 5068 C CA . ARG B 263 ? 0.3153 0.2594 0.2758 -0.0173 0.0389 -0.0176 344 ARG B CA 5069 C C . ARG B 263 ? 0.3018 0.2489 0.2652 -0.0175 0.0352 -0.0164 344 ARG B C 5070 O O . ARG B 263 ? 0.2895 0.2437 0.2597 -0.0170 0.0333 -0.0158 344 ARG B O 5071 C CB . ARG B 263 ? 0.3261 0.2765 0.2921 -0.0175 0.0392 -0.0175 344 ARG B CB 5072 C CG . ARG B 263 ? 0.3552 0.3039 0.3194 -0.0170 0.0433 -0.0187 344 ARG B CG 5073 C CD . ARG B 263 ? 0.3784 0.3329 0.3474 -0.0177 0.0433 -0.0186 344 ARG B CD 5074 N NE . ARG B 263 ? 0.4169 0.3696 0.3838 -0.0178 0.0474 -0.0197 344 ARG B NE 5075 C CZ . ARG B 263 ? 0.4411 0.3968 0.4098 -0.0191 0.0482 -0.0198 344 ARG B CZ 5076 N NH1 . ARG B 263 ? 0.4356 0.3961 0.4083 -0.0204 0.0452 -0.0189 344 ARG B NH1 5077 N NH2 . ARG B 263 ? 0.4650 0.4186 0.4313 -0.0192 0.0523 -0.0209 344 ARG B NH2 5078 N N . GLY B 264 ? 0.2987 0.2400 0.2566 -0.0184 0.0343 -0.0163 345 GLY B N 5079 C CA . GLY B 264 ? 0.2946 0.2377 0.2538 -0.0195 0.0308 -0.0152 345 GLY B CA 5080 C C . GLY B 264 ? 0.2899 0.2385 0.2559 -0.0166 0.0303 -0.0148 345 GLY B C 5081 O O . GLY B 264 ? 0.2797 0.2330 0.2496 -0.0173 0.0275 -0.0139 345 GLY B O 5082 N N . THR B 265 ? 0.2936 0.2415 0.2607 -0.0133 0.0329 -0.0156 346 THR B N 5083 C CA . THR B 265 ? 0.2967 0.2491 0.2695 -0.0105 0.0323 -0.0153 346 THR B CA 5084 C C . THR B 265 ? 0.2829 0.2442 0.2642 -0.0096 0.0312 -0.0149 346 THR B C 5085 O O . THR B 265 ? 0.2676 0.2317 0.2510 -0.0101 0.0322 -0.0152 346 THR B O 5086 C CB . THR B 265 ? 0.3140 0.2636 0.2863 -0.0068 0.0352 -0.0161 346 THR B CB 5087 O OG1 . THR B 265 ? 0.3296 0.2817 0.3055 -0.0046 0.0338 -0.0156 346 THR B OG1 5088 C CG2 . THR B 265 ? 0.3130 0.2666 0.2898 -0.0045 0.0381 -0.0170 346 THR B CG2 5089 N N . GLN B 266 ? 0.2783 0.2437 0.2639 -0.0086 0.0292 -0.0141 347 GLN B N 5090 C CA . GLN B 266 ? 0.2731 0.2464 0.2661 -0.0082 0.0276 -0.0136 347 GLN B CA 5091 C C . GLN B 266 ? 0.2512 0.2260 0.2437 -0.0114 0.0255 -0.0130 347 GLN B C 5092 O O . GLN B 266 ? 0.2476 0.2179 0.2346 -0.0139 0.0248 -0.0128 347 GLN B O 5093 C CB . GLN B 266 ? 0.2980 0.2758 0.2962 -0.0058 0.0298 -0.0142 347 GLN B CB 5094 C CG . GLN B 266 ? 0.3320 0.3091 0.3315 -0.0022 0.0315 -0.0147 347 GLN B CG 5095 C CD . GLN B 266 ? 0.3639 0.3467 0.3696 0.0002 0.0334 -0.0152 347 GLN B CD 5096 O OE1 . GLN B 266 ? 0.4102 0.3928 0.4153 -0.0002 0.0357 -0.0159 347 GLN B OE1 5097 N NE2 . GLN B 266 ? 0.3824 0.3703 0.3939 0.0024 0.0323 -0.0148 347 GLN B NE2 5098 N N . GLY B 267 ? 0.2262 0.2074 0.2245 -0.0112 0.0243 -0.0126 348 GLY B N 5099 C CA . GLY B 267 ? 0.2133 0.1963 0.2117 -0.0137 0.0221 -0.0120 348 GLY B CA 5100 C C . GLY B 267 ? 0.1983 0.1880 0.2031 -0.0128 0.0206 -0.0115 348 GLY B C 5101 O O . GLY B 267 ? 0.1918 0.1849 0.2010 -0.0106 0.0214 -0.0117 348 GLY B O 5102 N N . VAL B 268 ? 0.1894 0.1808 0.1946 -0.0146 0.0184 -0.0108 349 VAL B N 5103 C CA . VAL B 268 ? 0.1790 0.1760 0.1894 -0.0140 0.0168 -0.0104 349 VAL B CA 5104 C C . VAL B 268 ? 0.1767 0.1742 0.1864 -0.0158 0.0143 -0.0095 349 VAL B C 5105 O O . VAL B 268 ? 0.1817 0.1761 0.1874 -0.0178 0.0136 -0.0093 349 VAL B O 5106 C CB . VAL B 268 ? 0.1755 0.1749 0.1882 -0.0141 0.0175 -0.0106 349 VAL B CB 5107 C CG1 . VAL B 268 ? 0.1774 0.1742 0.1864 -0.0164 0.0168 -0.0105 349 VAL B CG1 5108 C CG2 . VAL B 268 ? 0.1682 0.1729 0.1861 -0.0131 0.0162 -0.0103 349 VAL B CG2 5109 N N . LYS B 269 ? 0.1716 0.1731 0.1851 -0.0150 0.0129 -0.0090 350 LYS B N 5110 C CA . LYS B 269 ? 0.1673 0.1704 0.1811 -0.0164 0.0107 -0.0082 350 LYS B CA 5111 C C . LYS B 269 ? 0.1661 0.1699 0.1798 -0.0174 0.0097 -0.0080 350 LYS B C 5112 O O . LYS B 269 ? 0.1644 0.1700 0.1802 -0.0166 0.0102 -0.0083 350 LYS B O 5113 C CB . LYS B 269 ? 0.1628 0.1701 0.1807 -0.0151 0.0097 -0.0079 350 LYS B CB 5114 C CG . LYS B 269 ? 0.1605 0.1700 0.1791 -0.0164 0.0077 -0.0071 350 LYS B CG 5115 C CD . LYS B 269 ? 0.1564 0.1697 0.1787 -0.0152 0.0071 -0.0069 350 LYS B CD 5116 C CE . LYS B 269 ? 0.1547 0.1709 0.1784 -0.0161 0.0054 -0.0062 350 LYS B CE 5117 N NZ . LYS B 269 ? 0.1583 0.1731 0.1795 -0.0181 0.0048 -0.0057 350 LYS B NZ 5118 N N . GLY B 270 ? 0.1680 0.1705 0.1792 -0.0193 0.0082 -0.0075 351 GLY B N 5119 C CA . GLY B 270 ? 0.1693 0.1722 0.1800 -0.0203 0.0069 -0.0071 351 GLY B CA 5120 C C . GLY B 270 ? 0.1692 0.1731 0.1795 -0.0217 0.0045 -0.0062 351 GLY B C 5121 O O . GLY B 270 ? 0.1689 0.1743 0.1802 -0.0220 0.0039 -0.0058 351 GLY B O 5122 N N . TRP B 271 ? 0.1729 0.1761 0.1817 -0.0227 0.0031 -0.0058 352 TRP B N 5123 C CA . TRP B 271 ? 0.1721 0.1773 0.1815 -0.0238 0.0005 -0.0048 352 TRP B CA 5124 C C . TRP B 271 ? 0.1790 0.1811 0.1844 -0.0256 -0.0009 -0.0044 352 TRP B C 5125 O O . TRP B 271 ? 0.1835 0.1823 0.1863 -0.0257 0.0001 -0.0048 352 TRP B O 5126 C CB . TRP B 271 ? 0.1686 0.1791 0.1832 -0.0221 -0.0005 -0.0044 352 TRP B CB 5127 C CG . TRP B 271 ? 0.1683 0.1784 0.1832 -0.0210 -0.0004 -0.0046 352 TRP B CG 5128 C CD1 . TRP B 271 ? 0.1679 0.1780 0.1840 -0.0196 0.0014 -0.0053 352 TRP B CD1 5129 C CD2 . TRP B 271 ? 0.1713 0.1804 0.1848 -0.0214 -0.0021 -0.0041 352 TRP B CD2 5130 N NE1 . TRP B 271 ? 0.1677 0.1767 0.1830 -0.0194 0.0010 -0.0053 352 TRP B NE1 5131 C CE2 . TRP B 271 ? 0.1703 0.1784 0.1838 -0.0204 -0.0012 -0.0045 352 TRP B CE2 5132 C CE3 . TRP B 271 ? 0.1744 0.1834 0.1865 -0.0226 -0.0046 -0.0032 352 TRP B CE3 5133 C CZ2 . TRP B 271 ? 0.1732 0.1797 0.1849 -0.0205 -0.0024 -0.0042 352 TRP B CZ2 5134 C CZ3 . TRP B 271 ? 0.1764 0.1840 0.1870 -0.0225 -0.0060 -0.0027 352 TRP B CZ3 5135 C CH2 . TRP B 271 ? 0.1766 0.1827 0.1869 -0.0214 -0.0049 -0.0033 352 TRP B CH2 5136 N N . ALA B 272 ? 0.1801 0.1834 0.1853 -0.0270 -0.0032 -0.0035 353 ALA B N 5137 C CA . ALA B 272 ? 0.1854 0.1868 0.1878 -0.0284 -0.0053 -0.0028 353 ALA B CA 5138 C C . ALA B 272 ? 0.1876 0.1933 0.1927 -0.0290 -0.0081 -0.0017 353 ALA B C 5139 O O . ALA B 272 ? 0.1864 0.1955 0.1945 -0.0289 -0.0078 -0.0016 353 ALA B O 5140 C CB . ALA B 272 ? 0.1915 0.1865 0.1871 -0.0308 -0.0048 -0.0031 353 ALA B CB 5141 N N . PHE B 273 ? 0.1917 0.1976 0.1961 -0.0296 -0.0106 -0.0008 354 PHE B N 5142 C CA . PHE B 273 ? 0.1975 0.2077 0.2044 -0.0305 -0.0133 0.0003 354 PHE B CA 5143 C C . PHE B 273 ? 0.2107 0.2182 0.2137 -0.0324 -0.0161 0.0012 354 PHE B C 5144 O O . PHE B 273 ? 0.2138 0.2170 0.2132 -0.0323 -0.0161 0.0011 354 PHE B O 5145 C CB . PHE B 273 ? 0.1911 0.2081 0.2048 -0.0279 -0.0140 0.0007 354 PHE B CB 5146 C CG . PHE B 273 ? 0.1905 0.2074 0.2050 -0.0258 -0.0148 0.0009 354 PHE B CG 5147 C CD1 . PHE B 273 ? 0.1887 0.2045 0.2038 -0.0237 -0.0127 0.0000 354 PHE B CD1 5148 C CD2 . PHE B 273 ? 0.1928 0.2110 0.2076 -0.0258 -0.0179 0.0020 354 PHE B CD2 5149 C CE1 . PHE B 273 ? 0.1894 0.2047 0.2048 -0.0220 -0.0135 0.0002 354 PHE B CE1 5150 C CE2 . PHE B 273 ? 0.1927 0.2103 0.2078 -0.0237 -0.0187 0.0022 354 PHE B CE2 5151 C CZ . PHE B 273 ? 0.1925 0.2083 0.2076 -0.0219 -0.0164 0.0013 354 PHE B CZ 5152 N N . ASP B 274 ? 0.2232 0.2332 0.2269 -0.0344 -0.0184 0.0022 355 ASP B N 5153 C CA . ASP B 274 ? 0.2390 0.2468 0.2389 -0.0366 -0.0215 0.0032 355 ASP B CA 5154 C C . ASP B 274 ? 0.2445 0.2570 0.2486 -0.0348 -0.0244 0.0043 355 ASP B C 5155 O O . ASP B 274 ? 0.2299 0.2489 0.2406 -0.0326 -0.0244 0.0045 355 ASP B O 5156 C CB . ASP B 274 ? 0.2486 0.2569 0.2471 -0.0399 -0.0229 0.0037 355 ASP B CB 5157 C CG . ASP B 274 ? 0.2487 0.2653 0.2542 -0.0394 -0.0240 0.0044 355 ASP B CG 5158 O OD1 . ASP B 274 ? 0.2496 0.2690 0.2587 -0.0380 -0.0216 0.0038 355 ASP B OD1 5159 O OD2 . ASP B 274 ? 0.2572 0.2778 0.2649 -0.0405 -0.0272 0.0057 355 ASP B OD2 5160 N N . ASN B 275 ? 0.2587 0.2674 0.2586 -0.0357 -0.0266 0.0049 356 ASN B N 5161 C CA . ASN B 275 ? 0.2704 0.2830 0.2734 -0.0346 -0.0302 0.0063 356 ASN B CA 5162 C C . ASN B 275 ? 0.2717 0.2806 0.2692 -0.0378 -0.0334 0.0073 356 ASN B C 5163 O O . ASN B 275 ? 0.2696 0.2717 0.2608 -0.0386 -0.0337 0.0072 356 ASN B O 5164 C CB . ASN B 275 ? 0.2860 0.2977 0.2898 -0.0315 -0.0301 0.0062 356 ASN B CB 5165 C CG . ASN B 275 ? 0.3008 0.3165 0.3077 -0.0299 -0.0339 0.0077 356 ASN B CG 5166 O OD1 . ASN B 275 ? 0.3223 0.3337 0.3253 -0.0297 -0.0358 0.0082 356 ASN B OD1 5167 N ND2 . ASN B 275 ? 0.3081 0.3318 0.3220 -0.0288 -0.0349 0.0083 356 ASN B ND2 5168 N N . GLY B 276 ? 0.2656 0.2788 0.2653 -0.0399 -0.0356 0.0082 357 GLY B N 5169 C CA . GLY B 276 ? 0.2720 0.2816 0.2661 -0.0436 -0.0387 0.0092 357 GLY B CA 5170 C C . GLY B 276 ? 0.2705 0.2711 0.2561 -0.0463 -0.0363 0.0081 357 GLY B C 5171 O O . GLY B 276 ? 0.2659 0.2659 0.2514 -0.0469 -0.0334 0.0071 357 GLY B O 5172 N N . ASN B 277 ? 0.2722 0.2657 0.2506 -0.0477 -0.0375 0.0083 358 ASN B N 5173 C CA . ASN B 277 ? 0.2758 0.2602 0.2456 -0.0502 -0.0351 0.0072 358 ASN B CA 5174 C C . ASN B 277 ? 0.2662 0.2470 0.2348 -0.0479 -0.0309 0.0057 358 ASN B C 5175 O O . ASN B 277 ? 0.2654 0.2399 0.2283 -0.0493 -0.0280 0.0045 358 ASN B O 5176 C CB . ASN B 277 ? 0.2899 0.2677 0.2517 -0.0531 -0.0381 0.0080 358 ASN B CB 5177 C CG . ASN B 277 ? 0.2974 0.2779 0.2593 -0.0562 -0.0422 0.0095 358 ASN B CG 5178 O OD1 . ASN B 277 ? 0.3062 0.2886 0.2689 -0.0581 -0.0416 0.0093 358 ASN B OD1 5179 N ND2 . ASN B 277 ? 0.3040 0.2848 0.2648 -0.0567 -0.0465 0.0110 358 ASN B ND2 5180 N N . ASP B 278 ? 0.2567 0.2415 0.2307 -0.0444 -0.0304 0.0056 359 ASP B N 5181 C CA . ASP B 278 ? 0.2513 0.2331 0.2244 -0.0423 -0.0269 0.0043 359 ASP B CA 5182 C C . ASP B 278 ? 0.2416 0.2277 0.2203 -0.0403 -0.0235 0.0033 359 ASP B C 5183 O O . ASP B 278 ? 0.2289 0.2209 0.2128 -0.0400 -0.0241 0.0036 359 ASP B O 5184 C CB . ASP B 278 ? 0.2557 0.2381 0.2302 -0.0400 -0.0284 0.0049 359 ASP B CB 5185 C CG . ASP B 278 ? 0.2685 0.2461 0.2370 -0.0419 -0.0318 0.0060 359 ASP B CG 5186 O OD1 . ASP B 278 ? 0.2742 0.2453 0.2353 -0.0450 -0.0317 0.0059 359 ASP B OD1 5187 O OD2 . ASP B 278 ? 0.2772 0.2572 0.2481 -0.0401 -0.0346 0.0071 359 ASP B OD2 5188 N N . LEU B 279 ? 0.2370 0.2200 0.2143 -0.0391 -0.0201 0.0020 360 LEU B N 5189 C CA . LEU B 279 ? 0.2304 0.2166 0.2122 -0.0372 -0.0169 0.0009 360 LEU B CA 5190 C C . LEU B 279 ? 0.2256 0.2127 0.2100 -0.0344 -0.0153 0.0004 360 LEU B C 5191 O O . LEU B 279 ? 0.2279 0.2101 0.2080 -0.0347 -0.0145 0.0001 360 LEU B O 5192 C CB . LEU B 279 ? 0.2345 0.2155 0.2116 -0.0387 -0.0138 -0.0002 360 LEU B CB 5193 C CG . LEU B 279 ? 0.2309 0.2146 0.2121 -0.0369 -0.0107 -0.0012 360 LEU B CG 5194 C CD1 . LEU B 279 ? 0.2301 0.2179 0.2145 -0.0375 -0.0116 -0.0008 360 LEU B CD1 5195 C CD2 . LEU B 279 ? 0.2355 0.2135 0.2119 -0.0375 -0.0073 -0.0025 360 LEU B CD2 5196 N N . TRP B 280 ? 0.2142 0.2074 0.2054 -0.0319 -0.0148 0.0003 361 TRP B N 5197 C CA . TRP B 280 ? 0.2077 0.2018 0.2014 -0.0295 -0.0127 -0.0004 361 TRP B CA 5198 C C . TRP B 280 ? 0.2020 0.1964 0.1970 -0.0291 -0.0094 -0.0016 361 TRP B C 5199 O O . TRP B 280 ? 0.1977 0.1950 0.1951 -0.0293 -0.0092 -0.0016 361 TRP B O 5200 C CB . TRP B 280 ? 0.2049 0.2047 0.2046 -0.0269 -0.0143 0.0002 361 TRP B CB 5201 C CG . TRP B 280 ? 0.2095 0.2085 0.2080 -0.0264 -0.0172 0.0012 361 TRP B CG 5202 C CD1 . TRP B 280 ? 0.2143 0.2160 0.2143 -0.0266 -0.0205 0.0024 361 TRP B CD1 5203 C CD2 . TRP B 280 ? 0.2129 0.2080 0.2085 -0.0257 -0.0171 0.0011 361 TRP B CD2 5204 N NE1 . TRP B 280 ? 0.2193 0.2189 0.2174 -0.0257 -0.0227 0.0032 361 TRP B NE1 5205 C CE2 . TRP B 280 ? 0.2174 0.2126 0.2125 -0.0252 -0.0206 0.0024 361 TRP B CE2 5206 C CE3 . TRP B 280 ? 0.2152 0.2068 0.2086 -0.0254 -0.0146 0.0001 361 TRP B CE3 5207 C CZ2 . TRP B 280 ? 0.2236 0.2148 0.2155 -0.0245 -0.0216 0.0027 361 TRP B CZ2 5208 C CZ3 . TRP B 280 ? 0.2204 0.2084 0.2107 -0.0250 -0.0154 0.0004 361 TRP B CZ3 5209 C CH2 . TRP B 280 ? 0.2213 0.2088 0.2107 -0.0245 -0.0189 0.0016 361 TRP B CH2 5210 N N . MET B 281 ? 0.1975 0.1890 0.1908 -0.0286 -0.0068 -0.0026 362 MET B N 5211 C CA . MET B 281 ? 0.1938 0.1856 0.1883 -0.0281 -0.0037 -0.0036 362 MET B CA 5212 C C . MET B 281 ? 0.1903 0.1823 0.1863 -0.0265 -0.0016 -0.0044 362 MET B C 5213 O O . MET B 281 ? 0.1906 0.1804 0.1845 -0.0267 -0.0019 -0.0043 362 MET B O 5214 C CB . MET B 281 ? 0.1983 0.1850 0.1874 -0.0301 -0.0023 -0.0042 362 MET B CB 5215 C CG . MET B 281 ? 0.2053 0.1859 0.1881 -0.0318 -0.0018 -0.0044 362 MET B CG 5216 S SD . MET B 281 ? 0.2142 0.1885 0.1905 -0.0338 0.0007 -0.0053 362 MET B SD 5217 C CE . MET B 281 ? 0.2121 0.1877 0.1915 -0.0317 0.0049 -0.0066 362 MET B CE 5218 N N . GLY B 282 ? 0.1859 0.1803 0.1852 -0.0252 0.0005 -0.0051 363 GLY B N 5219 C CA . GLY B 282 ? 0.1814 0.1760 0.1820 -0.0241 0.0028 -0.0060 363 GLY B CA 5220 C C . GLY B 282 ? 0.1831 0.1758 0.1823 -0.0245 0.0056 -0.0069 363 GLY B C 5221 O O . GLY B 282 ? 0.1798 0.1714 0.1776 -0.0251 0.0057 -0.0069 363 GLY B O 5222 N N . ARG B 283 ? 0.1810 0.1732 0.1804 -0.0240 0.0079 -0.0077 364 ARG B N 5223 C CA . ARG B 283 ? 0.1824 0.1736 0.1815 -0.0237 0.0108 -0.0086 364 ARG B CA 5224 C C . ARG B 283 ? 0.1804 0.1732 0.1818 -0.0229 0.0128 -0.0093 364 ARG B C 5225 O O . ARG B 283 ? 0.1778 0.1710 0.1794 -0.0232 0.0121 -0.0091 364 ARG B O 5226 C CB . ARG B 283 ? 0.1919 0.1773 0.1848 -0.0255 0.0119 -0.0089 364 ARG B CB 5227 C CG . ARG B 283 ? 0.1975 0.1790 0.1858 -0.0273 0.0121 -0.0090 364 ARG B CG 5228 C CD . ARG B 283 ? 0.2078 0.1833 0.1895 -0.0291 0.0134 -0.0093 364 ARG B CD 5229 N NE . ARG B 283 ? 0.2157 0.1872 0.1929 -0.0308 0.0143 -0.0096 364 ARG B NE 5230 C CZ . ARG B 283 ? 0.2255 0.1909 0.1959 -0.0327 0.0152 -0.0098 364 ARG B CZ 5231 N NH1 . ARG B 283 ? 0.2317 0.1941 0.1989 -0.0334 0.0154 -0.0100 364 ARG B NH1 5232 N NH2 . ARG B 283 ? 0.2329 0.1949 0.1993 -0.0343 0.0160 -0.0100 364 ARG B NH2 5233 N N . THR B 284 ? 0.1818 0.1756 0.1849 -0.0219 0.0154 -0.0101 365 THR B N 5234 C CA . THR B 284 ? 0.1829 0.1785 0.1882 -0.0215 0.0175 -0.0107 365 THR B CA 5235 C C . THR B 284 ? 0.1918 0.1831 0.1922 -0.0234 0.0188 -0.0111 365 THR B C 5236 O O . THR B 284 ? 0.1931 0.1798 0.1884 -0.0247 0.0191 -0.0111 365 THR B O 5237 C CB . THR B 284 ? 0.1788 0.1764 0.1871 -0.0198 0.0198 -0.0114 365 THR B CB 5238 O OG1 . THR B 284 ? 0.1842 0.1776 0.1883 -0.0202 0.0216 -0.0119 365 THR B OG1 5239 C CG2 . THR B 284 ? 0.1734 0.1746 0.1858 -0.0180 0.0184 -0.0111 365 THR B CG2 5240 N N . ILE B 285 ? 0.1982 0.1906 0.1996 -0.0239 0.0198 -0.0113 366 ILE B N 5241 C CA . ILE B 285 ? 0.2101 0.1984 0.2066 -0.0260 0.0214 -0.0117 366 ILE B CA 5242 C C . ILE B 285 ? 0.2223 0.2094 0.2178 -0.0259 0.0250 -0.0127 366 ILE B C 5243 O O . ILE B 285 ? 0.2280 0.2100 0.2178 -0.0274 0.0262 -0.0130 366 ILE B O 5244 C CB . ILE B 285 ? 0.2089 0.1983 0.2062 -0.0270 0.0214 -0.0116 366 ILE B CB 5245 C CG1 . ILE B 285 ? 0.2062 0.1948 0.2025 -0.0272 0.0179 -0.0106 366 ILE B CG1 5246 C CG2 . ILE B 285 ? 0.2138 0.1991 0.2062 -0.0292 0.0238 -0.0122 366 ILE B CG2 5247 C CD1 . ILE B 285 ? 0.2055 0.1951 0.2027 -0.0278 0.0175 -0.0105 366 ILE B CD1 5248 N N . SER B 286 ? 0.2289 0.2207 0.2298 -0.0240 0.0266 -0.0132 367 SER B N 5249 C CA . SER B 286 ? 0.2388 0.2300 0.2396 -0.0231 0.0299 -0.0141 367 SER B CA 5250 C C . SER B 286 ? 0.2514 0.2389 0.2489 -0.0225 0.0297 -0.0141 367 SER B C 5251 O O . SER B 286 ? 0.2384 0.2267 0.2371 -0.0217 0.0271 -0.0135 367 SER B O 5252 C CB . SER B 286 ? 0.2379 0.2355 0.2459 -0.0209 0.0312 -0.0145 367 SER B CB 5253 O OG . SER B 286 ? 0.2386 0.2358 0.2469 -0.0195 0.0342 -0.0153 367 SER B OG 5254 N N . LYS B 287 ? 0.2715 0.2546 0.2645 -0.0231 0.0324 -0.0149 368 LYS B N 5255 C CA . LYS B 287 ? 0.2940 0.2725 0.2829 -0.0227 0.0326 -0.0151 368 LYS B CA 5256 C C . LYS B 287 ? 0.2957 0.2769 0.2886 -0.0198 0.0338 -0.0154 368 LYS B C 5257 O O . LYS B 287 ? 0.2872 0.2653 0.2776 -0.0193 0.0332 -0.0153 368 LYS B O 5258 C CB . LYS B 287 ? 0.3185 0.2907 0.3005 -0.0243 0.0354 -0.0158 368 LYS B CB 5259 C CG . LYS B 287 ? 0.3439 0.3119 0.3202 -0.0274 0.0341 -0.0154 368 LYS B CG 5260 C CD . LYS B 287 ? 0.3739 0.3366 0.3442 -0.0290 0.0376 -0.0163 368 LYS B CD 5261 C CE . LYS B 287 ? 0.3901 0.3566 0.3639 -0.0289 0.0404 -0.0170 368 LYS B CE 5262 N NZ . LYS B 287 ? 0.4207 0.3838 0.3908 -0.0292 0.0449 -0.0182 368 LYS B NZ 5263 N N . GLU B 288 ? 0.2987 0.2853 0.2976 -0.0180 0.0356 -0.0159 369 GLU B N 5264 C CA . GLU B 288 ? 0.3188 0.3078 0.3215 -0.0150 0.0370 -0.0163 369 GLU B CA 5265 C C . GLU B 288 ? 0.2928 0.2885 0.3028 -0.0132 0.0351 -0.0157 369 GLU B C 5266 O O . GLU B 288 ? 0.2951 0.2921 0.3075 -0.0108 0.0351 -0.0157 369 GLU B O 5267 C CB . GLU B 288 ? 0.3616 0.3510 0.3649 -0.0140 0.0412 -0.0174 369 GLU B CB 5268 C CG . GLU B 288 ? 0.4125 0.3947 0.4081 -0.0156 0.0436 -0.0181 369 GLU B CG 5269 C CD . GLU B 288 ? 0.4626 0.4458 0.4586 -0.0162 0.0473 -0.0190 369 GLU B CD 5270 O OE1 . GLU B 288 ? 0.5128 0.5006 0.5140 -0.0138 0.0498 -0.0196 369 GLU B OE1 5271 O OE2 . GLU B 288 ? 0.4914 0.4711 0.4825 -0.0191 0.0476 -0.0191 369 GLU B OE2 5272 N N . SER B 289 ? 0.2676 0.2671 0.2806 -0.0143 0.0335 -0.0153 370 SER B N 5273 C CA . SER B 289 ? 0.2493 0.2550 0.2689 -0.0129 0.0319 -0.0148 370 SER B CA 5274 C C . SER B 289 ? 0.2278 0.2337 0.2470 -0.0140 0.0284 -0.0139 370 SER B C 5275 O O . SER B 289 ? 0.2209 0.2235 0.2360 -0.0161 0.0274 -0.0136 370 SER B O 5276 C CB . SER B 289 ? 0.2549 0.2654 0.2788 -0.0131 0.0335 -0.0152 370 SER B CB 5277 O OG . SER B 289 ? 0.2781 0.2891 0.3029 -0.0118 0.0369 -0.0161 370 SER B OG 5278 N N . ARG B 290 ? 0.2113 0.2212 0.2350 -0.0126 0.0265 -0.0134 371 ARG B N 5279 C CA . ARG B 290 ? 0.1992 0.2101 0.2234 -0.0133 0.0235 -0.0126 371 ARG B CA 5280 C C . ARG B 290 ? 0.1908 0.2043 0.2169 -0.0145 0.0231 -0.0125 371 ARG B C 5281 O O . ARG B 290 ? 0.1830 0.2006 0.2133 -0.0137 0.0219 -0.0122 371 ARG B O 5282 C CB . ARG B 290 ? 0.1992 0.2126 0.2266 -0.0115 0.0219 -0.0122 371 ARG B CB 5283 C CG . ARG B 290 ? 0.2062 0.2161 0.2307 -0.0108 0.0220 -0.0121 371 ARG B CG 5284 C CD . ARG B 290 ? 0.2063 0.2185 0.2338 -0.0087 0.0210 -0.0118 371 ARG B CD 5285 N NE . ARG B 290 ? 0.2159 0.2240 0.2398 -0.0085 0.0210 -0.0118 371 ARG B NE 5286 C CZ . ARG B 290 ? 0.2182 0.2267 0.2431 -0.0071 0.0200 -0.0114 371 ARG B CZ 5287 N NH1 . ARG B 290 ? 0.2176 0.2302 0.2468 -0.0059 0.0189 -0.0111 371 ARG B NH1 5288 N NH2 . ARG B 290 ? 0.2239 0.2280 0.2447 -0.0073 0.0201 -0.0113 371 ARG B NH2 5289 N N A SER B 291 ? 0.1898 0.2005 0.2124 -0.0165 0.0240 -0.0127 372 SER B N 5290 N N B SER B 291 ? 0.1912 0.2021 0.2140 -0.0164 0.0241 -0.0128 372 SER B N 5291 C CA A SER B 291 ? 0.1858 0.1978 0.2090 -0.0180 0.0240 -0.0127 372 SER B CA 5292 C CA B SER B 291 ? 0.1880 0.2002 0.2114 -0.0179 0.0238 -0.0127 372 SER B CA 5293 C C A SER B 291 ? 0.1864 0.1940 0.2044 -0.0199 0.0225 -0.0123 372 SER B C 5294 C C B SER B 291 ? 0.1876 0.1952 0.2057 -0.0199 0.0225 -0.0123 372 SER B C 5295 O O A SER B 291 ? 0.1887 0.1919 0.2021 -0.0208 0.0229 -0.0123 372 SER B O 5296 O O B SER B 291 ? 0.1903 0.1936 0.2039 -0.0207 0.0230 -0.0124 372 SER B O 5297 C CB A SER B 291 ? 0.1881 0.2010 0.2119 -0.0185 0.0273 -0.0135 372 SER B CB 5298 C CB B SER B 291 ? 0.1907 0.2048 0.2157 -0.0184 0.0268 -0.0134 372 SER B CB 5299 O OG A SER B 291 ? 0.1869 0.2008 0.2108 -0.0204 0.0275 -0.0136 372 SER B OG 5300 O OG B SER B 291 ? 0.1972 0.2075 0.2182 -0.0192 0.0292 -0.0140 372 SER B OG 5301 N N . GLY B 292 ? 0.1832 0.1916 0.2017 -0.0206 0.0207 -0.0118 373 GLY B N 5302 C CA . GLY B 292 ? 0.1796 0.1839 0.1935 -0.0221 0.0189 -0.0113 373 GLY B CA 5303 C C . GLY B 292 ? 0.1753 0.1783 0.1881 -0.0213 0.0166 -0.0106 373 GLY B C 5304 O O . GLY B 292 ? 0.1666 0.1709 0.1811 -0.0200 0.0166 -0.0106 373 GLY B O 5305 N N . TYR B 293 ? 0.1755 0.1761 0.1854 -0.0222 0.0145 -0.0100 374 TYR B N 5306 C CA . TYR B 293 ? 0.1752 0.1747 0.1839 -0.0218 0.0122 -0.0093 374 TYR B CA 5307 C C . TYR B 293 ? 0.1818 0.1774 0.1860 -0.0231 0.0104 -0.0087 374 TYR B C 5308 O O . TYR B 293 ? 0.1819 0.1770 0.1855 -0.0235 0.0098 -0.0085 374 TYR B O 5309 C CB . TYR B 293 ? 0.1701 0.1737 0.1833 -0.0199 0.0105 -0.0089 374 TYR B CB 5310 C CG . TYR B 293 ? 0.1684 0.1721 0.1814 -0.0195 0.0091 -0.0084 374 TYR B CG 5311 C CD1 . TYR B 293 ? 0.1688 0.1733 0.1828 -0.0189 0.0101 -0.0087 374 TYR B CD1 5312 C CD2 . TYR B 293 ? 0.1709 0.1737 0.1824 -0.0197 0.0067 -0.0076 374 TYR B CD2 5313 C CE1 . TYR B 293 ? 0.1665 0.1708 0.1799 -0.0189 0.0089 -0.0082 374 TYR B CE1 5314 C CE2 . TYR B 293 ? 0.1689 0.1721 0.1803 -0.0197 0.0054 -0.0071 374 TYR B CE2 5315 C CZ . TYR B 293 ? 0.1686 0.1724 0.1808 -0.0195 0.0065 -0.0074 374 TYR B CZ 5316 O OH . TYR B 293 ? 0.1682 0.1723 0.1801 -0.0198 0.0052 -0.0069 374 TYR B OH 5317 N N . GLU B 294 ? 0.1881 0.1808 0.1888 -0.0240 0.0096 -0.0083 375 GLU B N 5318 C CA . GLU B 294 ? 0.1956 0.1843 0.1917 -0.0253 0.0076 -0.0076 375 GLU B CA 5319 C C . GLU B 294 ? 0.1939 0.1830 0.1899 -0.0250 0.0051 -0.0068 375 GLU B C 5320 O O . GLU B 294 ? 0.1908 0.1814 0.1882 -0.0247 0.0055 -0.0069 375 GLU B O 5321 C CB . GLU B 294 ? 0.2063 0.1898 0.1966 -0.0275 0.0093 -0.0080 375 GLU B CB 5322 C CG . GLU B 294 ? 0.2130 0.1952 0.2018 -0.0279 0.0110 -0.0085 375 GLU B CG 5323 C CD . GLU B 294 ? 0.2271 0.2039 0.2100 -0.0300 0.0131 -0.0091 375 GLU B CD 5324 O OE1 . GLU B 294 ? 0.2357 0.2097 0.2153 -0.0314 0.0132 -0.0090 375 GLU B OE1 5325 O OE2 . GLU B 294 ? 0.2318 0.2068 0.2128 -0.0304 0.0148 -0.0096 375 GLU B OE2 5326 N N . THR B 295 ? 0.1964 0.1842 0.1907 -0.0252 0.0024 -0.0059 376 THR B N 5327 C CA . THR B 295 ? 0.1972 0.1853 0.1911 -0.0253 -0.0002 -0.0050 376 THR B CA 5328 C C . THR B 295 ? 0.2024 0.1853 0.1902 -0.0271 -0.0018 -0.0044 376 THR B C 5329 O O . THR B 295 ? 0.2018 0.1813 0.1864 -0.0278 -0.0014 -0.0045 376 THR B O 5330 C CB . THR B 295 ? 0.1962 0.1886 0.1946 -0.0233 -0.0024 -0.0043 376 THR B CB 5331 O OG1 . THR B 295 ? 0.1994 0.1903 0.1967 -0.0227 -0.0033 -0.0041 376 THR B OG1 5332 C CG2 . THR B 295 ? 0.1938 0.1910 0.1976 -0.0216 -0.0011 -0.0048 376 THR B CG2 5333 N N . PHE B 296 ? 0.2030 0.1850 0.1890 -0.0282 -0.0036 -0.0038 377 PHE B N 5334 C CA . PHE B 296 ? 0.2102 0.1875 0.1905 -0.0299 -0.0057 -0.0030 377 PHE B CA 5335 C C . PHE B 296 ? 0.2178 0.1962 0.1981 -0.0306 -0.0083 -0.0021 377 PHE B C 5336 O O . PHE B 296 ? 0.2104 0.1924 0.1942 -0.0302 -0.0079 -0.0022 377 PHE B O 5337 C CB . PHE B 296 ? 0.2143 0.1853 0.1881 -0.0322 -0.0035 -0.0037 377 PHE B CB 5338 C CG . PHE B 296 ? 0.2131 0.1836 0.1864 -0.0329 -0.0005 -0.0047 377 PHE B CG 5339 C CD1 . PHE B 296 ? 0.2146 0.1834 0.1853 -0.0343 -0.0013 -0.0045 377 PHE B CD1 5340 C CD2 . PHE B 296 ? 0.2124 0.1838 0.1875 -0.0322 0.0030 -0.0059 377 PHE B CD2 5341 C CE1 . PHE B 296 ? 0.2155 0.1830 0.1852 -0.0347 0.0015 -0.0054 377 PHE B CE1 5342 C CE2 . PHE B 296 ? 0.2132 0.1839 0.1878 -0.0325 0.0057 -0.0068 377 PHE B CE2 5343 C CZ . PHE B 296 ? 0.2149 0.1834 0.1866 -0.0336 0.0050 -0.0066 377 PHE B CZ 5344 N N . LYS B 297 ? 0.2305 0.2058 0.2067 -0.0318 -0.0112 -0.0011 378 LYS B N 5345 C CA . LYS B 297 ? 0.2426 0.2182 0.2178 -0.0332 -0.0139 -0.0002 378 LYS B CA 5346 C C . LYS B 297 ? 0.2476 0.2165 0.2152 -0.0362 -0.0131 -0.0005 378 LYS B C 5347 O O . LYS B 297 ? 0.2499 0.2132 0.2120 -0.0373 -0.0123 -0.0007 378 LYS B O 5348 C CB . LYS B 297 ? 0.2603 0.2367 0.2357 -0.0325 -0.0179 0.0013 378 LYS B CB 5349 C CG . LYS B 297 ? 0.2758 0.2536 0.2509 -0.0340 -0.0211 0.0024 378 LYS B CG 5350 C CD . LYS B 297 ? 0.2984 0.2748 0.2714 -0.0341 -0.0251 0.0038 378 LYS B CD 5351 C CE . LYS B 297 ? 0.3101 0.2929 0.2899 -0.0310 -0.0272 0.0046 378 LYS B CE 5352 N NZ . LYS B 297 ? 0.3281 0.3094 0.3058 -0.0307 -0.0313 0.0061 378 LYS B NZ 5353 N N . VAL B 298 ? 0.2476 0.2166 0.2145 -0.0377 -0.0132 -0.0005 379 VAL B N 5354 C CA . VAL B 298 ? 0.2570 0.2193 0.2162 -0.0407 -0.0128 -0.0007 379 VAL B CA 5355 C C . VAL B 298 ? 0.2613 0.2232 0.2183 -0.0425 -0.0171 0.0008 379 VAL B C 5356 O O . VAL B 298 ? 0.2536 0.2204 0.2148 -0.0424 -0.0189 0.0014 379 VAL B O 5357 C CB . VAL B 298 ? 0.2554 0.2170 0.2142 -0.0413 -0.0098 -0.0018 379 VAL B CB 5358 C CG1 . VAL B 298 ? 0.2640 0.2179 0.2141 -0.0444 -0.0093 -0.0020 379 VAL B CG1 5359 C CG2 . VAL B 298 ? 0.2515 0.2146 0.2134 -0.0392 -0.0058 -0.0031 379 VAL B CG2 5360 N N . ILE B 299 ? 0.2765 0.2325 0.2269 -0.0442 -0.0187 0.0013 380 ILE B N 5361 C CA . ILE B 299 ? 0.2861 0.2409 0.2335 -0.0462 -0.0231 0.0028 380 ILE B CA 5362 C C . ILE B 299 ? 0.2878 0.2402 0.2315 -0.0490 -0.0229 0.0025 380 ILE B C 5363 O O . ILE B 299 ? 0.2923 0.2383 0.2298 -0.0507 -0.0201 0.0015 380 ILE B O 5364 C CB . ILE B 299 ? 0.3021 0.2498 0.2418 -0.0477 -0.0247 0.0033 380 ILE B CB 5365 C CG1 . ILE B 299 ? 0.3072 0.2563 0.2497 -0.0450 -0.0249 0.0035 380 ILE B CG1 5366 C CG2 . ILE B 299 ? 0.3102 0.2567 0.2468 -0.0498 -0.0296 0.0049 380 ILE B CG2 5367 C CD1 . ILE B 299 ? 0.3052 0.2621 0.2558 -0.0422 -0.0277 0.0045 380 ILE B CD1 5368 N N . GLY B 300 ? 0.2855 0.2429 0.2331 -0.0495 -0.0257 0.0035 381 GLY B N 5369 C CA . GLY B 300 ? 0.2872 0.2429 0.2319 -0.0523 -0.0256 0.0034 381 GLY B CA 5370 C C . GLY B 300 ? 0.2838 0.2407 0.2310 -0.0512 -0.0215 0.0019 381 GLY B C 5371 O O . GLY B 300 ? 0.2834 0.2370 0.2267 -0.0534 -0.0205 0.0015 381 GLY B O 5372 N N . GLY B 301 ? 0.2754 0.2367 0.2287 -0.0479 -0.0191 0.0013 382 GLY B N 5373 C CA . GLY B 301 ? 0.2721 0.2347 0.2281 -0.0466 -0.0153 0.0000 382 GLY B CA 5374 C C . GLY B 301 ? 0.2697 0.2364 0.2292 -0.0471 -0.0158 0.0002 382 GLY B C 5375 O O . GLY B 301 ? 0.2632 0.2285 0.2221 -0.0469 -0.0130 -0.0008 382 GLY B O 5376 N N . TRP B 302 ? 0.2729 0.2447 0.2360 -0.0477 -0.0195 0.0015 383 TRP B N 5377 C CA . TRP B 302 ? 0.2835 0.2593 0.2497 -0.0487 -0.0202 0.0019 383 TRP B CA 5378 C C . TRP B 302 ? 0.2926 0.2636 0.2521 -0.0528 -0.0219 0.0024 383 TRP B C 5379 O O . TRP B 302 ? 0.2908 0.2611 0.2493 -0.0542 -0.0209 0.0020 383 TRP B O 5380 C CB . TRP B 302 ? 0.2878 0.2726 0.2622 -0.0472 -0.0230 0.0031 383 TRP B CB 5381 C CG . TRP B 302 ? 0.3018 0.2911 0.2796 -0.0483 -0.0232 0.0033 383 TRP B CG 5382 C CD1 . TRP B 302 ? 0.3135 0.3053 0.2915 -0.0511 -0.0263 0.0045 383 TRP B CD1 5383 C CD2 . TRP B 302 ? 0.3143 0.3053 0.2949 -0.0470 -0.0202 0.0024 383 TRP B CD2 5384 N NE1 . TRP B 302 ? 0.3193 0.3145 0.3003 -0.0517 -0.0252 0.0043 383 TRP B NE1 5385 C CE2 . TRP B 302 ? 0.3204 0.3149 0.3029 -0.0491 -0.0215 0.0030 383 TRP B CE2 5386 C CE3 . TRP B 302 ? 0.3220 0.3122 0.3040 -0.0444 -0.0166 0.0011 383 TRP B CE3 5387 C CZ2 . TRP B 302 ? 0.3273 0.3238 0.3123 -0.0486 -0.0193 0.0024 383 TRP B CZ2 5388 C CZ3 . TRP B 302 ? 0.3249 0.3173 0.3097 -0.0437 -0.0147 0.0006 383 TRP B CZ3 5389 C CH2 . TRP B 302 ? 0.3246 0.3198 0.3106 -0.0458 -0.0160 0.0012 383 TRP B CH2 5390 N N . SER B 303 ? 0.3007 0.2679 0.2551 -0.0549 -0.0247 0.0032 384 SER B N 5391 C CA . SER B 303 ? 0.3116 0.2751 0.2601 -0.0591 -0.0273 0.0039 384 SER B CA 5392 C C . SER B 303 ? 0.3171 0.2699 0.2549 -0.0616 -0.0258 0.0031 384 SER B C 5393 O O . SER B 303 ? 0.3237 0.2721 0.2557 -0.0650 -0.0267 0.0033 384 SER B O 5394 C CB . SER B 303 ? 0.3178 0.2853 0.2683 -0.0600 -0.0323 0.0057 384 SER B CB 5395 O OG . SER B 303 ? 0.3243 0.3018 0.2845 -0.0581 -0.0337 0.0065 384 SER B OG 5396 N N . THR B 304 ? 0.3128 0.2612 0.2476 -0.0601 -0.0236 0.0023 385 THR B N 5397 C CA . THR B 304 ? 0.3179 0.2560 0.2423 -0.0624 -0.0220 0.0016 385 THR B CA 5398 C C . THR B 304 ? 0.3156 0.2499 0.2381 -0.0609 -0.0168 -0.0003 385 THR B C 5399 O O . THR B 304 ? 0.3058 0.2425 0.2325 -0.0578 -0.0141 -0.0011 385 THR B O 5400 C CB . THR B 304 ? 0.3248 0.2597 0.2458 -0.0623 -0.0232 0.0019 385 THR B CB 5401 O OG1 . THR B 304 ? 0.3227 0.2605 0.2448 -0.0636 -0.0284 0.0037 385 THR B OG1 5402 C CG2 . THR B 304 ? 0.3365 0.2604 0.2464 -0.0647 -0.0211 0.0010 385 THR B CG2 5403 N N . PRO B 305 ? 0.3203 0.2484 0.2363 -0.0632 -0.0153 -0.0010 386 PRO B N 5404 C CA . PRO B 305 ? 0.3197 0.2437 0.2336 -0.0616 -0.0103 -0.0027 386 PRO B CA 5405 C C . PRO B 305 ? 0.3212 0.2411 0.2321 -0.0603 -0.0074 -0.0037 386 PRO B C 5406 O O . PRO B 305 ? 0.3242 0.2387 0.2285 -0.0624 -0.0086 -0.0033 386 PRO B O 5407 C CB . PRO B 305 ? 0.3313 0.2471 0.2361 -0.0650 -0.0101 -0.0030 386 PRO B CB 5408 C CG . PRO B 305 ? 0.3340 0.2526 0.2393 -0.0681 -0.0150 -0.0014 386 PRO B CG 5409 C CD . PRO B 305 ? 0.3301 0.2541 0.2399 -0.0674 -0.0183 -0.0001 386 PRO B CD 5410 N N . ASN B 306 ? 0.3160 0.2388 0.2319 -0.0569 -0.0037 -0.0048 387 ASN B N 5411 C CA . ASN B 306 ? 0.3222 0.2415 0.2357 -0.0556 -0.0001 -0.0059 387 ASN B CA 5412 C C . ASN B 306 ? 0.3207 0.2414 0.2351 -0.0555 -0.0017 -0.0053 387 ASN B C 5413 O O . ASN B 306 ? 0.3253 0.2414 0.2353 -0.0556 0.0007 -0.0060 387 ASN B O 5414 C CB . ASN B 306 ? 0.3367 0.2458 0.2397 -0.0579 0.0024 -0.0069 387 ASN B CB 5415 C CG . ASN B 306 ? 0.3404 0.2477 0.2434 -0.0554 0.0078 -0.0087 387 ASN B CG 5416 O OD1 . ASN B 306 ? 0.3323 0.2459 0.2432 -0.0522 0.0095 -0.0091 387 ASN B OD1 5417 N ND2 . ASN B 306 ? 0.3518 0.2504 0.2460 -0.0568 0.0106 -0.0097 387 ASN B ND2 5418 N N . SER B 307 ? 0.3147 0.2417 0.2347 -0.0550 -0.0056 -0.0039 388 SER B N 5419 C CA . SER B 307 ? 0.3180 0.2464 0.2392 -0.0545 -0.0075 -0.0031 388 SER B CA 5420 C C . SER B 307 ? 0.3118 0.2429 0.2374 -0.0516 -0.0040 -0.0041 388 SER B C 5421 O O . SER B 307 ? 0.2992 0.2356 0.2315 -0.0491 -0.0021 -0.0047 388 SER B O 5422 C CB . SER B 307 ? 0.3160 0.2515 0.2435 -0.0540 -0.0121 -0.0015 388 SER B CB 5423 O OG . SER B 307 ? 0.3171 0.2592 0.2518 -0.0523 -0.0116 -0.0016 388 SER B OG 5424 N N . LYS B 308 ? 0.3180 0.2451 0.2395 -0.0521 -0.0033 -0.0043 389 LYS B N 5425 C CA . LYS B 308 ? 0.3202 0.2494 0.2452 -0.0500 0.0000 -0.0052 389 LYS B CA 5426 C C . LYS B 308 ? 0.3270 0.2567 0.2523 -0.0497 -0.0019 -0.0044 389 LYS B C 5427 O O . LYS B 308 ? 0.3297 0.2596 0.2561 -0.0486 0.0007 -0.0052 389 LYS B O 5428 C CB . LYS B 308 ? 0.3286 0.2516 0.2477 -0.0508 0.0047 -0.0068 389 LYS B CB 5429 C CG . LYS B 308 ? 0.3264 0.2497 0.2467 -0.0498 0.0075 -0.0078 389 LYS B CG 5430 C CD . LYS B 308 ? 0.3340 0.2516 0.2490 -0.0502 0.0124 -0.0094 389 LYS B CD 5431 C CE . LYS B 308 ? 0.3350 0.2515 0.2498 -0.0493 0.0149 -0.0103 389 LYS B CE 5432 N NZ . LYS B 308 ? 0.3395 0.2518 0.2508 -0.0488 0.0201 -0.0119 389 LYS B NZ 5433 N N . SER B 309 ? 0.3318 0.2617 0.2563 -0.0506 -0.0065 -0.0029 390 SER B N 5434 C CA . SER B 309 ? 0.3425 0.2727 0.2672 -0.0500 -0.0087 -0.0020 390 SER B CA 5435 C C . SER B 309 ? 0.3229 0.2616 0.2573 -0.0468 -0.0096 -0.0017 390 SER B C 5436 O O . SER B 309 ? 0.3262 0.2699 0.2654 -0.0459 -0.0126 -0.0008 390 SER B O 5437 C CB . SER B 309 ? 0.3602 0.2871 0.2800 -0.0521 -0.0135 -0.0005 390 SER B CB 5438 O OG . SER B 309 ? 0.3870 0.3129 0.3060 -0.0515 -0.0156 0.0004 390 SER B OG 5439 N N . GLN B 310 ? 0.3080 0.2482 0.2453 -0.0451 -0.0069 -0.0025 391 GLN B N 5440 C CA . GLN B 310 ? 0.2927 0.2402 0.2383 -0.0421 -0.0077 -0.0022 391 GLN B CA 5441 C C . GLN B 310 ? 0.2851 0.2316 0.2299 -0.0415 -0.0100 -0.0014 391 GLN B C 5442 O O . GLN B 310 ? 0.2879 0.2280 0.2258 -0.0433 -0.0101 -0.0012 391 GLN B O 5443 C CB . GLN B 310 ? 0.2928 0.2438 0.2433 -0.0404 -0.0036 -0.0036 391 GLN B CB 5444 C CG . GLN B 310 ? 0.2969 0.2442 0.2441 -0.0411 -0.0001 -0.0046 391 GLN B CG 5445 C CD . GLN B 310 ? 0.2946 0.2472 0.2484 -0.0389 0.0027 -0.0055 391 GLN B CD 5446 O OE1 . GLN B 310 ? 0.3045 0.2586 0.2603 -0.0385 0.0058 -0.0066 391 GLN B OE1 5447 N NE2 . GLN B 310 ? 0.2880 0.2434 0.2452 -0.0375 0.0014 -0.0051 391 GLN B NE2 5448 N N . VAL B 311 ? 0.2699 0.2224 0.2215 -0.0389 -0.0117 -0.0008 392 VAL B N 5449 C CA . VAL B 311 ? 0.2687 0.2208 0.2203 -0.0377 -0.0138 0.0000 392 VAL B CA 5450 C C . VAL B 311 ? 0.2571 0.2161 0.2170 -0.0345 -0.0134 -0.0002 392 VAL B C 5451 O O . VAL B 311 ? 0.2443 0.2086 0.2097 -0.0335 -0.0126 -0.0005 392 VAL B O 5452 C CB . VAL B 311 ? 0.2758 0.2263 0.2248 -0.0381 -0.0186 0.0016 392 VAL B CB 5453 C CG1 . VAL B 311 ? 0.2708 0.2284 0.2265 -0.0366 -0.0210 0.0024 392 VAL B CG1 5454 C CG2 . VAL B 311 ? 0.2815 0.2293 0.2284 -0.0371 -0.0206 0.0024 392 VAL B CG2 5455 N N . ASN B 312 ? 0.2577 0.2161 0.2178 -0.0332 -0.0141 0.0001 393 ASN B N 5456 C CA . ASN B 312 ? 0.2525 0.2166 0.2195 -0.0302 -0.0141 0.0000 393 ASN B CA 5457 C C . ASN B 312 ? 0.2409 0.2086 0.2123 -0.0297 -0.0103 -0.0013 393 ASN B C 5458 O O . ASN B 312 ? 0.2319 0.2055 0.2097 -0.0276 -0.0102 -0.0014 393 ASN B O 5459 C CB . ASN B 312 ? 0.2595 0.2291 0.2317 -0.0283 -0.0172 0.0011 393 ASN B CB 5460 C CG . ASN B 312 ? 0.2756 0.2425 0.2446 -0.0282 -0.0213 0.0025 393 ASN B CG 5461 O OD1 . ASN B 312 ? 0.2970 0.2586 0.2610 -0.0285 -0.0220 0.0028 393 ASN B OD1 5462 N ND2 . ASN B 312 ? 0.2847 0.2555 0.2566 -0.0278 -0.0240 0.0035 393 ASN B ND2 5463 N N . ARG B 313 ? 0.2361 0.2003 0.2040 -0.0315 -0.0072 -0.0023 394 ARG B N 5464 C CA . ARG B 313 ? 0.2275 0.1950 0.1993 -0.0309 -0.0037 -0.0035 394 ARG B CA 5465 C C . ARG B 313 ? 0.2192 0.1894 0.1948 -0.0290 -0.0036 -0.0036 394 ARG B C 5466 O O . ARG B 313 ? 0.2185 0.1856 0.1913 -0.0291 -0.0049 -0.0032 394 ARG B O 5467 C CB . ARG B 313 ? 0.2351 0.1983 0.2023 -0.0332 -0.0004 -0.0045 394 ARG B CB 5468 C CG . ARG B 313 ? 0.2330 0.2000 0.2047 -0.0325 0.0031 -0.0057 394 ARG B CG 5469 C CD . ARG B 313 ? 0.2396 0.2031 0.2073 -0.0345 0.0065 -0.0067 394 ARG B CD 5470 N NE . ARG B 313 ? 0.2389 0.2066 0.2113 -0.0337 0.0098 -0.0078 394 ARG B NE 5471 C CZ . ARG B 313 ? 0.2400 0.2086 0.2137 -0.0339 0.0118 -0.0084 394 ARG B CZ 5472 N NH1 . ARG B 313 ? 0.2456 0.2110 0.2158 -0.0351 0.0111 -0.0080 394 ARG B NH1 5473 N NH2 . ARG B 313 ? 0.2381 0.2110 0.2165 -0.0330 0.0145 -0.0092 394 ARG B NH2 5474 N N . GLN B 314 ? 0.2097 0.1854 0.1914 -0.0275 -0.0022 -0.0042 395 GLN B N 5475 C CA . GLN B 314 ? 0.2038 0.1818 0.1888 -0.0261 -0.0013 -0.0046 395 GLN B CA 5476 C C . GLN B 314 ? 0.1990 0.1803 0.1875 -0.0261 0.0019 -0.0057 395 GLN B C 5477 O O . GLN B 314 ? 0.1929 0.1771 0.1842 -0.0256 0.0027 -0.0060 395 GLN B O 5478 C CB . GLN B 314 ? 0.1990 0.1812 0.1887 -0.0235 -0.0035 -0.0040 395 GLN B CB 5479 C CG . GLN B 314 ? 0.2047 0.1846 0.1920 -0.0228 -0.0069 -0.0029 395 GLN B CG 5480 C CD . GLN B 314 ? 0.2013 0.1862 0.1939 -0.0201 -0.0087 -0.0023 395 GLN B CD 5481 O OE1 . GLN B 314 ? 0.2068 0.1942 0.2012 -0.0196 -0.0103 -0.0017 395 GLN B OE1 5482 N NE2 . GLN B 314 ? 0.1987 0.1849 0.1935 -0.0184 -0.0082 -0.0026 395 GLN B NE2 5483 N N . VAL B 315 ? 0.1972 0.1778 0.1853 -0.0268 0.0036 -0.0063 396 VAL B N 5484 C CA . VAL B 315 ? 0.1949 0.1795 0.1874 -0.0264 0.0062 -0.0072 396 VAL B CA 5485 C C . VAL B 315 ? 0.1918 0.1809 0.1895 -0.0241 0.0050 -0.0070 396 VAL B C 5486 O O . VAL B 315 ? 0.1974 0.1856 0.1946 -0.0234 0.0034 -0.0066 396 VAL B O 5487 C CB . VAL B 315 ? 0.1965 0.1794 0.1871 -0.0281 0.0084 -0.0078 396 VAL B CB 5488 C CG1 . VAL B 315 ? 0.1942 0.1821 0.1902 -0.0275 0.0106 -0.0086 396 VAL B CG1 5489 C CG2 . VAL B 315 ? 0.2031 0.1813 0.1882 -0.0305 0.0099 -0.0081 396 VAL B CG2 5490 N N . ILE B 316 ? 0.1882 0.1817 0.1905 -0.0228 0.0058 -0.0074 397 ILE B N 5491 C CA . ILE B 316 ? 0.1853 0.1830 0.1924 -0.0208 0.0050 -0.0073 397 ILE B CA 5492 C C . ILE B 316 ? 0.1830 0.1830 0.1927 -0.0210 0.0071 -0.0081 397 ILE B C 5493 O O . ILE B 316 ? 0.1797 0.1810 0.1910 -0.0204 0.0066 -0.0081 397 ILE B O 5494 C CB . ILE B 316 ? 0.1817 0.1825 0.1919 -0.0194 0.0044 -0.0071 397 ILE B CB 5495 C CG1 . ILE B 316 ? 0.1857 0.1845 0.1932 -0.0198 0.0024 -0.0063 397 ILE B CG1 5496 C CG2 . ILE B 316 ? 0.1777 0.1824 0.1921 -0.0175 0.0036 -0.0070 397 ILE B CG2 5497 C CD1 . ILE B 316 ? 0.1891 0.1865 0.1953 -0.0190 0.0000 -0.0055 397 ILE B CD1 5498 N N . VAL B 317 ? 0.1862 0.1870 0.1965 -0.0218 0.0093 -0.0087 398 VAL B N 5499 C CA . VAL B 317 ? 0.1894 0.1929 0.2025 -0.0221 0.0114 -0.0094 398 VAL B CA 5500 C C . VAL B 317 ? 0.1982 0.1994 0.2085 -0.0240 0.0137 -0.0099 398 VAL B C 5501 O O . VAL B 317 ? 0.1945 0.1943 0.2032 -0.0242 0.0146 -0.0100 398 VAL B O 5502 C CB . VAL B 317 ? 0.1847 0.1926 0.2026 -0.0204 0.0120 -0.0096 398 VAL B CB 5503 C CG1 . VAL B 317 ? 0.1852 0.1965 0.2065 -0.0205 0.0139 -0.0102 398 VAL B CG1 5504 C CG2 . VAL B 317 ? 0.1823 0.1921 0.2025 -0.0186 0.0099 -0.0091 398 VAL B CG2 5505 N N . ASP B 318 ? 0.2120 0.2128 0.2216 -0.0256 0.0148 -0.0102 399 ASP B N 5506 C CA . ASP B 318 ? 0.2282 0.2269 0.2350 -0.0276 0.0174 -0.0107 399 ASP B CA 5507 C C . ASP B 318 ? 0.2249 0.2274 0.2356 -0.0268 0.0200 -0.0115 399 ASP B C 5508 O O . ASP B 318 ? 0.2067 0.2136 0.2223 -0.0249 0.0197 -0.0115 399 ASP B O 5509 C CB . ASP B 318 ? 0.2463 0.2434 0.2509 -0.0298 0.0181 -0.0109 399 ASP B CB 5510 C CG . ASP B 318 ? 0.2604 0.2626 0.2700 -0.0299 0.0190 -0.0113 399 ASP B CG 5511 O OD1 . ASP B 318 ? 0.2655 0.2723 0.2799 -0.0287 0.0205 -0.0117 399 ASP B OD1 5512 O OD2 . ASP B 318 ? 0.3055 0.3065 0.3138 -0.0312 0.0182 -0.0111 399 ASP B OD2 5513 N N . ASN B 319 ? 0.2333 0.2337 0.2413 -0.0281 0.0224 -0.0120 400 ASN B N 5514 C CA . ASN B 319 ? 0.2408 0.2438 0.2516 -0.0270 0.0250 -0.0127 400 ASN B CA 5515 C C . ASN B 319 ? 0.2423 0.2508 0.2585 -0.0269 0.0271 -0.0133 400 ASN B C 5516 O O . ASN B 319 ? 0.2463 0.2572 0.2651 -0.0258 0.0294 -0.0139 400 ASN B O 5517 C CB . ASN B 319 ? 0.2535 0.2518 0.2592 -0.0283 0.0272 -0.0132 400 ASN B CB 5518 C CG . ASN B 319 ? 0.2567 0.2562 0.2642 -0.0265 0.0291 -0.0137 400 ASN B CG 5519 O OD1 . ASN B 319 ? 0.2557 0.2576 0.2664 -0.0244 0.0278 -0.0135 400 ASN B OD1 5520 N ND2 . ASN B 319 ? 0.2692 0.2667 0.2742 -0.0274 0.0322 -0.0145 400 ASN B ND2 5521 N N . ASN B 320 ? 0.2406 0.2510 0.2583 -0.0279 0.0261 -0.0131 401 ASN B N 5522 C CA . ASN B 320 ? 0.2446 0.2610 0.2682 -0.0277 0.0273 -0.0134 401 ASN B CA 5523 C C . ASN B 320 ? 0.2245 0.2448 0.2528 -0.0254 0.0251 -0.0130 401 ASN B C 5524 O O . ASN B 320 ? 0.2211 0.2464 0.2542 -0.0252 0.0253 -0.0131 401 ASN B O 5525 C CB . ASN B 320 ? 0.2667 0.2830 0.2891 -0.0305 0.0277 -0.0134 401 ASN B CB 5526 C CG . ASN B 320 ? 0.2931 0.3062 0.3113 -0.0329 0.0305 -0.0139 401 ASN B CG 5527 O OD1 . ASN B 320 ? 0.3251 0.3391 0.3441 -0.0324 0.0332 -0.0146 401 ASN B OD1 5528 N ND2 . ASN B 320 ? 0.3207 0.3298 0.3341 -0.0355 0.0299 -0.0137 401 ASN B ND2 5529 N N . ASN B 321 ? 0.2082 0.2265 0.2352 -0.0239 0.0230 -0.0125 402 ASN B N 5530 C CA . ASN B 321 ? 0.1974 0.2187 0.2281 -0.0219 0.0209 -0.0121 402 ASN B CA 5531 C C . ASN B 321 ? 0.1913 0.2122 0.2224 -0.0197 0.0205 -0.0120 402 ASN B C 5532 O O . ASN B 321 ? 0.1918 0.2088 0.2191 -0.0199 0.0207 -0.0120 402 ASN B O 5533 C CB . ASN B 321 ? 0.1988 0.2180 0.2274 -0.0224 0.0183 -0.0115 402 ASN B CB 5534 C CG . ASN B 321 ? 0.2016 0.2219 0.2307 -0.0242 0.0183 -0.0116 402 ASN B CG 5535 O OD1 . ASN B 321 ? 0.2019 0.2262 0.2350 -0.0238 0.0179 -0.0116 402 ASN B OD1 5536 N ND2 . ASN B 321 ? 0.2051 0.2215 0.2297 -0.0264 0.0186 -0.0116 402 ASN B ND2 5537 N N . TRP B 322 ? 0.1814 0.2061 0.2168 -0.0178 0.0199 -0.0119 403 TRP B N 5538 C CA . TRP B 322 ? 0.1755 0.2001 0.2116 -0.0158 0.0196 -0.0118 403 TRP B CA 5539 C C . TRP B 322 ? 0.1717 0.1938 0.2054 -0.0155 0.0173 -0.0112 403 TRP B C 5540 O O . TRP B 322 ? 0.1681 0.1905 0.2020 -0.0157 0.0155 -0.0108 403 TRP B O 5541 C CB . TRP B 322 ? 0.1753 0.2045 0.2165 -0.0139 0.0195 -0.0119 403 TRP B CB 5542 C CG . TRP B 322 ? 0.1799 0.2125 0.2243 -0.0139 0.0218 -0.0124 403 TRP B CG 5543 C CD1 . TRP B 322 ? 0.1793 0.2163 0.2277 -0.0144 0.0218 -0.0124 403 TRP B CD1 5544 C CD2 . TRP B 322 ? 0.1868 0.2186 0.2307 -0.0135 0.0245 -0.0130 403 TRP B CD2 5545 N NE1 . TRP B 322 ? 0.1851 0.2248 0.2361 -0.0142 0.0243 -0.0130 403 TRP B NE1 5546 C CE2 . TRP B 322 ? 0.1892 0.2258 0.2375 -0.0136 0.0262 -0.0134 403 TRP B CE2 5547 C CE3 . TRP B 322 ? 0.1952 0.2228 0.2353 -0.0132 0.0257 -0.0133 403 TRP B CE3 5548 C CZ2 . TRP B 322 ? 0.1953 0.2327 0.2445 -0.0130 0.0292 -0.0141 403 TRP B CZ2 5549 C CZ3 . TRP B 322 ? 0.1998 0.2274 0.2400 -0.0127 0.0287 -0.0140 403 TRP B CZ3 5550 C CH2 . TRP B 322 ? 0.2005 0.2331 0.2454 -0.0125 0.0306 -0.0144 403 TRP B CH2 5551 N N . SER B 323 ? 0.1692 0.1887 0.2006 -0.0150 0.0174 -0.0112 404 SER B N 5552 C CA . SER B 323 ? 0.1633 0.1814 0.1932 -0.0146 0.0154 -0.0106 404 SER B CA 5553 C C . SER B 323 ? 0.1595 0.1789 0.1913 -0.0129 0.0153 -0.0105 404 SER B C 5554 O O . SER B 323 ? 0.1547 0.1773 0.1901 -0.0117 0.0156 -0.0107 404 SER B O 5555 C CB . SER B 323 ? 0.1681 0.1818 0.1932 -0.0160 0.0151 -0.0104 404 SER B CB 5556 O OG . SER B 323 ? 0.1713 0.1826 0.1941 -0.0164 0.0170 -0.0109 404 SER B OG 5557 N N . GLY B 324 ? 0.1603 0.1771 0.1896 -0.0129 0.0148 -0.0103 405 GLY B N 5558 C CA . GLY B 324 ? 0.1565 0.1740 0.1868 -0.0116 0.0145 -0.0101 405 GLY B CA 5559 C C . GLY B 324 ? 0.1566 0.1715 0.1839 -0.0123 0.0132 -0.0097 405 GLY B C 5560 O O . GLY B 324 ? 0.1594 0.1715 0.1834 -0.0138 0.0132 -0.0096 405 GLY B O 5561 N N . TYR B 325 ? 0.1518 0.1680 0.1804 -0.0115 0.0121 -0.0093 406 TYR B N 5562 C CA . TYR B 325 ? 0.1517 0.1665 0.1782 -0.0124 0.0108 -0.0087 406 TYR B CA 5563 C C . TYR B 325 ? 0.1519 0.1672 0.1780 -0.0133 0.0092 -0.0083 406 TYR B C 5564 O O . TYR B 325 ? 0.1528 0.1699 0.1807 -0.0129 0.0089 -0.0083 406 TYR B O 5565 C CB . TYR B 325 ? 0.1488 0.1652 0.1770 -0.0114 0.0101 -0.0084 406 TYR B CB 5566 C CG . TYR B 325 ? 0.1522 0.1666 0.1791 -0.0107 0.0112 -0.0087 406 TYR B CG 5567 C CD1 . TYR B 325 ? 0.1555 0.1677 0.1811 -0.0104 0.0130 -0.0092 406 TYR B CD1 5568 C CD2 . TYR B 325 ? 0.1533 0.1678 0.1802 -0.0104 0.0105 -0.0083 406 TYR B CD2 5569 C CE1 . TYR B 325 ? 0.1616 0.1715 0.1857 -0.0094 0.0140 -0.0094 406 TYR B CE1 5570 C CE2 . TYR B 325 ? 0.1569 0.1688 0.1821 -0.0097 0.0114 -0.0085 406 TYR B CE2 5571 C CZ . TYR B 325 ? 0.1606 0.1702 0.1844 -0.0091 0.0131 -0.0090 406 TYR B CZ 5572 O OH . TYR B 325 ? 0.1686 0.1752 0.1905 -0.0081 0.0140 -0.0092 406 TYR B OH 5573 N N . SER B 326 ? 0.1544 0.1682 0.1782 -0.0145 0.0082 -0.0078 407 SER B N 5574 C CA . SER B 326 ? 0.1549 0.1697 0.1788 -0.0150 0.0064 -0.0072 407 SER B CA 5575 C C . SER B 326 ? 0.1590 0.1742 0.1824 -0.0158 0.0051 -0.0066 407 SER B C 5576 O O . SER B 326 ? 0.1648 0.1779 0.1861 -0.0166 0.0056 -0.0067 407 SER B O 5577 C CB . SER B 326 ? 0.1586 0.1708 0.1797 -0.0162 0.0062 -0.0073 407 SER B CB 5578 O OG . SER B 326 ? 0.1645 0.1730 0.1818 -0.0176 0.0069 -0.0074 407 SER B OG 5579 N N . GLY B 327 ? 0.1570 0.1747 0.1821 -0.0156 0.0035 -0.0061 408 GLY B N 5580 C CA . GLY B 327 ? 0.1589 0.1780 0.1843 -0.0164 0.0023 -0.0054 408 GLY B CA 5581 C C . GLY B 327 ? 0.1601 0.1816 0.1870 -0.0162 0.0004 -0.0048 408 GLY B C 5582 O O . GLY B 327 ? 0.1583 0.1804 0.1862 -0.0151 0.0001 -0.0048 408 GLY B O 5583 N N . ILE B 328 ? 0.1604 0.1831 0.1872 -0.0174 -0.0009 -0.0041 409 ILE B N 5584 C CA . ILE B 328 ? 0.1614 0.1869 0.1900 -0.0172 -0.0028 -0.0034 409 ILE B CA 5585 C C . ILE B 328 ? 0.1574 0.1876 0.1902 -0.0158 -0.0028 -0.0032 409 ILE B C 5586 O O . ILE B 328 ? 0.1500 0.1812 0.1836 -0.0160 -0.0018 -0.0034 409 ILE B O 5587 C CB . ILE B 328 ? 0.1686 0.1933 0.1950 -0.0194 -0.0043 -0.0027 409 ILE B CB 5588 C CG1 . ILE B 328 ? 0.1731 0.1996 0.2005 -0.0191 -0.0066 -0.0019 409 ILE B CG1 5589 C CG2 . ILE B 328 ? 0.1699 0.1967 0.1972 -0.0207 -0.0044 -0.0024 409 ILE B CG2 5590 C CD1 . ILE B 328 ? 0.1778 0.2025 0.2022 -0.0215 -0.0084 -0.0012 409 ILE B CD1 5591 N N . PHE B 329 ? 0.1567 0.1895 0.1917 -0.0145 -0.0039 -0.0028 410 PHE B N 5592 C CA . PHE B 329 ? 0.1557 0.1934 0.1947 -0.0135 -0.0042 -0.0024 410 PHE B CA 5593 C C . PHE B 329 ? 0.1557 0.1958 0.1962 -0.0130 -0.0062 -0.0016 410 PHE B C 5594 O O . PHE B 329 ? 0.1589 0.1965 0.1975 -0.0128 -0.0073 -0.0015 410 PHE B O 5595 C CB . PHE B 329 ? 0.1542 0.1930 0.1951 -0.0115 -0.0028 -0.0030 410 PHE B CB 5596 C CG . PHE B 329 ? 0.1566 0.1940 0.1972 -0.0096 -0.0029 -0.0033 410 PHE B CG 5597 C CD1 . PHE B 329 ? 0.1596 0.1930 0.1976 -0.0099 -0.0023 -0.0038 410 PHE B CD1 5598 C CD2 . PHE B 329 ? 0.1592 0.1990 0.2021 -0.0077 -0.0035 -0.0031 410 PHE B CD2 5599 C CE1 . PHE B 329 ? 0.1602 0.1920 0.1975 -0.0085 -0.0024 -0.0041 410 PHE B CE1 5600 C CE2 . PHE B 329 ? 0.1609 0.1985 0.2028 -0.0061 -0.0036 -0.0034 410 PHE B CE2 5601 C CZ . PHE B 329 ? 0.1620 0.1955 0.2011 -0.0067 -0.0031 -0.0039 410 PHE B CZ 5602 N N . SER B 330 ? 0.1548 0.1999 0.1989 -0.0128 -0.0067 -0.0011 411 SER B N 5603 C CA . SER B 330 ? 0.1587 0.2070 0.2050 -0.0122 -0.0088 -0.0002 411 SER B CA 5604 C C . SER B 330 ? 0.1591 0.2116 0.2095 -0.0094 -0.0084 -0.0002 411 SER B C 5605 O O . SER B 330 ? 0.1563 0.2108 0.2085 -0.0089 -0.0067 -0.0007 411 SER B O 5606 C CB . SER B 330 ? 0.1619 0.2129 0.2089 -0.0148 -0.0100 0.0005 411 SER B CB 5607 O OG . SER B 330 ? 0.1629 0.2091 0.2052 -0.0173 -0.0104 0.0005 411 SER B OG 5608 N N . VAL B 331 ? 0.1659 0.2192 0.2174 -0.0075 -0.0099 0.0002 412 VAL B N 5609 C CA . VAL B 331 ? 0.1718 0.2281 0.2266 -0.0044 -0.0095 0.0002 412 VAL B CA 5610 C C . VAL B 331 ? 0.1808 0.2417 0.2390 -0.0034 -0.0116 0.0012 412 VAL B C 5611 O O . VAL B 331 ? 0.1793 0.2383 0.2358 -0.0036 -0.0138 0.0019 412 VAL B O 5612 C CB . VAL B 331 ? 0.1729 0.2244 0.2249 -0.0023 -0.0091 -0.0004 412 VAL B CB 5613 C CG1 . VAL B 331 ? 0.1757 0.2295 0.2304 0.0010 -0.0085 -0.0006 412 VAL B CG1 5614 C CG2 . VAL B 331 ? 0.1748 0.2222 0.2238 -0.0035 -0.0072 -0.0014 412 VAL B CG2 5615 N N . GLU B 332 ? 0.1925 0.2596 0.2555 -0.0023 -0.0110 0.0014 413 GLU B N 5616 C CA . GLU B 332 ? 0.2059 0.2786 0.2732 -0.0012 -0.0129 0.0024 413 GLU B CA 5617 C C . GLU B 332 ? 0.2138 0.2858 0.2818 0.0027 -0.0136 0.0025 413 GLU B C 5618 O O . GLU B 332 ? 0.2148 0.2863 0.2833 0.0052 -0.0117 0.0018 413 GLU B O 5619 C CB . GLU B 332 ? 0.2130 0.2930 0.2855 -0.0015 -0.0116 0.0026 413 GLU B CB 5620 C CG . GLU B 332 ? 0.2229 0.3100 0.3008 -0.0005 -0.0136 0.0037 413 GLU B CG 5621 C CD . GLU B 332 ? 0.2336 0.3283 0.3165 -0.0016 -0.0123 0.0039 413 GLU B CD 5622 O OE1 . GLU B 332 ? 0.2385 0.3324 0.3203 -0.0032 -0.0099 0.0031 413 GLU B OE1 5623 O OE2 . GLU B 332 ? 0.2441 0.3455 0.3321 -0.0011 -0.0138 0.0049 413 GLU B OE2 5624 N N . GLY B 333 ? 0.2281 0.2994 0.2955 0.0032 -0.0164 0.0035 414 GLY B N 5625 C CA . GLY B 333 ? 0.2459 0.3166 0.3140 0.0069 -0.0175 0.0038 414 GLY B CA 5626 C C . GLY B 333 ? 0.2623 0.3409 0.3367 0.0089 -0.0188 0.0048 414 GLY B C 5627 O O . GLY B 333 ? 0.2535 0.3385 0.3321 0.0071 -0.0186 0.0051 414 GLY B O 5628 N N . LYS B 334 ? 0.2884 0.3667 0.3636 0.0126 -0.0202 0.0052 415 LYS B N 5629 C CA . LYS B 334 ? 0.3077 0.3936 0.3893 0.0152 -0.0215 0.0061 415 LYS B CA 5630 C C . LYS B 334 ? 0.3022 0.3931 0.3865 0.0124 -0.0243 0.0075 415 LYS B C 5631 O O . LYS B 334 ? 0.3064 0.4056 0.3968 0.0120 -0.0241 0.0079 415 LYS B O 5632 C CB . LYS B 334 ? 0.3369 0.4199 0.4176 0.0196 -0.0230 0.0065 415 LYS B CB 5633 C CG . LYS B 334 ? 0.3629 0.4539 0.4507 0.0234 -0.0238 0.0073 415 LYS B CG 5634 C CD . LYS B 334 ? 0.3859 0.4730 0.4721 0.0284 -0.0246 0.0074 415 LYS B CD 5635 C CE . LYS B 334 ? 0.4007 0.4954 0.4940 0.0328 -0.0234 0.0075 415 LYS B CE 5636 N NZ . LYS B 334 ? 0.4165 0.5078 0.5087 0.0379 -0.0248 0.0078 415 LYS B NZ 5637 N N . SER B 335 ? 0.2959 0.3816 0.3754 0.0102 -0.0268 0.0080 416 SER B N 5638 C CA . SER B 335 ? 0.2989 0.3883 0.3799 0.0073 -0.0299 0.0093 416 SER B CA 5639 C C . SER B 335 ? 0.2805 0.3653 0.3563 0.0023 -0.0301 0.0092 416 SER B C 5640 O O . SER B 335 ? 0.2788 0.3661 0.3552 -0.0006 -0.0325 0.0102 416 SER B O 5641 C CB . SER B 335 ? 0.3142 0.4025 0.3948 0.0096 -0.0337 0.0106 416 SER B CB 5642 O OG . SER B 335 ? 0.3399 0.4185 0.4130 0.0097 -0.0341 0.0102 416 SER B OG 5643 N N . CYS B 336 ? 0.2592 0.3373 0.3298 0.0012 -0.0277 0.0079 417 CYS B N 5644 C CA . CYS B 336 ? 0.2477 0.3211 0.3132 -0.0032 -0.0275 0.0077 417 CYS B CA 5645 C C . CYS B 336 ? 0.2216 0.2919 0.2849 -0.0041 -0.0240 0.0062 417 CYS B C 5646 O O . CYS B 336 ? 0.2154 0.2854 0.2798 -0.0014 -0.0218 0.0054 417 CYS B O 5647 C CB . CYS B 336 ? 0.2646 0.3306 0.3238 -0.0040 -0.0298 0.0080 417 CYS B CB 5648 S SG . CYS B 336 ? 0.2898 0.3480 0.3444 -0.0009 -0.0287 0.0072 417 CYS B SG 5649 N N . ILE B 337 ? 0.2014 0.2691 0.2615 -0.0079 -0.0235 0.0060 418 ILE B N 5650 C CA . ILE B 337 ? 0.1874 0.2516 0.2448 -0.0090 -0.0204 0.0047 418 ILE B CA 5651 C C . ILE B 337 ? 0.1792 0.2352 0.2303 -0.0096 -0.0203 0.0042 418 ILE B C 5652 O O . ILE B 337 ? 0.1775 0.2300 0.2248 -0.0118 -0.0220 0.0046 418 ILE B O 5653 C CB . ILE B 337 ? 0.1873 0.2532 0.2447 -0.0127 -0.0198 0.0047 418 ILE B CB 5654 C CG1 . ILE B 337 ? 0.1866 0.2610 0.2502 -0.0129 -0.0201 0.0054 418 ILE B CG1 5655 C CG2 . ILE B 337 ? 0.1839 0.2459 0.2385 -0.0135 -0.0168 0.0035 418 ILE B CG2 5656 C CD1 . ILE B 337 ? 0.1860 0.2648 0.2543 -0.0095 -0.0181 0.0049 418 ILE B CD1 5657 N N . ASN B 338 ? 0.1710 0.2239 0.2209 -0.0077 -0.0182 0.0032 419 ASN B N 5658 C CA . ASN B 338 ? 0.1717 0.2173 0.2160 -0.0082 -0.0177 0.0026 419 ASN B CA 5659 C C . ASN B 338 ? 0.1679 0.2107 0.2096 -0.0105 -0.0154 0.0017 419 ASN B C 5660 O O . ASN B 338 ? 0.1653 0.2113 0.2096 -0.0107 -0.0138 0.0013 419 ASN B O 5661 C CB . ASN B 338 ? 0.1701 0.2137 0.2142 -0.0051 -0.0168 0.0021 419 ASN B CB 5662 C CG . ASN B 338 ? 0.1739 0.2104 0.2124 -0.0054 -0.0172 0.0018 419 ASN B CG 5663 O OD1 . ASN B 338 ? 0.1774 0.2108 0.2124 -0.0075 -0.0186 0.0023 419 ASN B OD1 5664 N ND2 . ASN B 338 ? 0.1726 0.2064 0.2100 -0.0036 -0.0159 0.0011 419 ASN B ND2 5665 N N . ARG B 339 ? 0.1683 0.2052 0.2049 -0.0120 -0.0153 0.0014 420 ARG B N 5666 C CA . ARG B 339 ? 0.1682 0.2020 0.2022 -0.0137 -0.0130 0.0004 420 ARG B CA 5667 C C . ARG B 339 ? 0.1674 0.1975 0.1996 -0.0124 -0.0114 -0.0004 420 ARG B C 5668 O O . ARG B 339 ? 0.1701 0.1969 0.1998 -0.0119 -0.0123 -0.0003 420 ARG B O 5669 C CB . ARG B 339 ? 0.1726 0.2024 0.2020 -0.0167 -0.0137 0.0006 420 ARG B CB 5670 C CG . ARG B 339 ? 0.1769 0.2094 0.2071 -0.0185 -0.0159 0.0016 420 ARG B CG 5671 C CD . ARG B 339 ? 0.1740 0.2119 0.2084 -0.0189 -0.0152 0.0017 420 ARG B CD 5672 N NE . ARG B 339 ? 0.1791 0.2192 0.2137 -0.0213 -0.0174 0.0027 420 ARG B NE 5673 C CZ . ARG B 339 ? 0.1787 0.2238 0.2166 -0.0223 -0.0176 0.0031 420 ARG B CZ 5674 N NH1 . ARG B 339 ? 0.1747 0.2232 0.2161 -0.0212 -0.0155 0.0026 420 ARG B NH1 5675 N NH2 . ARG B 339 ? 0.1845 0.2313 0.2222 -0.0248 -0.0198 0.0041 420 ARG B NH2 5676 N N . CYS B 340 ? 0.1672 0.1978 0.2005 -0.0120 -0.0092 -0.0013 421 CYS B N 5677 C CA . CYS B 340 ? 0.1693 0.1969 0.2011 -0.0112 -0.0075 -0.0021 421 CYS B CA 5678 C C . CYS B 340 ? 0.1658 0.1916 0.1961 -0.0127 -0.0057 -0.0028 421 CYS B C 5679 O O . CYS B 340 ? 0.1645 0.1912 0.1949 -0.0141 -0.0055 -0.0027 421 CYS B O 5680 C CB . CYS B 340 ? 0.1716 0.2021 0.2068 -0.0088 -0.0068 -0.0024 421 CYS B CB 5681 S SG . CYS B 340 ? 0.1830 0.2161 0.2206 -0.0062 -0.0086 -0.0017 421 CYS B SG 5682 N N . PHE B 341 ? 0.1616 0.1845 0.1903 -0.0125 -0.0043 -0.0035 422 PHE B N 5683 C CA . PHE B 341 ? 0.1603 0.1820 0.1882 -0.0134 -0.0023 -0.0042 422 PHE B CA 5684 C C . PHE B 341 ? 0.1572 0.1787 0.1860 -0.0123 -0.0009 -0.0049 422 PHE B C 5685 O O . PHE B 341 ? 0.1600 0.1808 0.1885 -0.0114 -0.0014 -0.0050 422 PHE B O 5686 C CB . PHE B 341 ? 0.1633 0.1810 0.1872 -0.0153 -0.0021 -0.0043 422 PHE B CB 5687 C CG . PHE B 341 ? 0.1664 0.1807 0.1875 -0.0156 -0.0020 -0.0045 422 PHE B CG 5688 C CD1 . PHE B 341 ? 0.1700 0.1827 0.1892 -0.0158 -0.0038 -0.0039 422 PHE B CD1 5689 C CD2 . PHE B 341 ? 0.1674 0.1801 0.1878 -0.0157 0.0000 -0.0053 422 PHE B CD2 5690 C CE1 . PHE B 341 ? 0.1740 0.1829 0.1899 -0.0162 -0.0037 -0.0040 422 PHE B CE1 5691 C CE2 . PHE B 341 ? 0.1700 0.1795 0.1876 -0.0163 0.0002 -0.0055 422 PHE B CE2 5692 C CZ . PHE B 341 ? 0.1747 0.1821 0.1898 -0.0166 -0.0016 -0.0049 422 PHE B CZ 5693 N N . TYR B 342 ? 0.1544 0.1764 0.1840 -0.0124 0.0006 -0.0055 423 TYR B N 5694 C CA . TYR B 342 ? 0.1526 0.1745 0.1830 -0.0116 0.0018 -0.0061 423 TYR B CA 5695 C C . TYR B 342 ? 0.1509 0.1706 0.1796 -0.0127 0.0033 -0.0066 423 TYR B C 5696 O O . TYR B 342 ? 0.1499 0.1683 0.1769 -0.0137 0.0036 -0.0065 423 TYR B O 5697 C CB . TYR B 342 ? 0.1497 0.1745 0.1829 -0.0105 0.0023 -0.0063 423 TYR B CB 5698 C CG . TYR B 342 ? 0.1491 0.1741 0.1823 -0.0111 0.0029 -0.0063 423 TYR B CG 5699 C CD1 . TYR B 342 ? 0.1492 0.1755 0.1827 -0.0117 0.0021 -0.0057 423 TYR B CD1 5700 C CD2 . TYR B 342 ? 0.1506 0.1745 0.1834 -0.0113 0.0043 -0.0068 423 TYR B CD2 5701 C CE1 . TYR B 342 ? 0.1494 0.1752 0.1822 -0.0125 0.0027 -0.0057 423 TYR B CE1 5702 C CE2 . TYR B 342 ? 0.1512 0.1746 0.1834 -0.0117 0.0048 -0.0068 423 TYR B CE2 5703 C CZ . TYR B 342 ? 0.1511 0.1751 0.1830 -0.0125 0.0040 -0.0062 423 TYR B CZ 5704 O OH . TYR B 342 ? 0.1537 0.1765 0.1842 -0.0131 0.0046 -0.0062 423 TYR B OH 5705 N N . VAL B 343 ? 0.1491 0.1683 0.1780 -0.0125 0.0043 -0.0071 424 VAL B N 5706 C CA . VAL B 343 ? 0.1497 0.1678 0.1780 -0.0132 0.0060 -0.0077 424 VAL B CA 5707 C C . VAL B 343 ? 0.1463 0.1668 0.1775 -0.0121 0.0068 -0.0081 424 VAL B C 5708 O O . VAL B 343 ? 0.1489 0.1705 0.1813 -0.0116 0.0063 -0.0081 424 VAL B O 5709 C CB . VAL B 343 ? 0.1542 0.1697 0.1799 -0.0144 0.0066 -0.0079 424 VAL B CB 5710 C CG1 . VAL B 343 ? 0.1550 0.1697 0.1802 -0.0149 0.0087 -0.0085 424 VAL B CG1 5711 C CG2 . VAL B 343 ? 0.1589 0.1717 0.1813 -0.0154 0.0054 -0.0074 424 VAL B CG2 5712 N N . GLU B 344 ? 0.1449 0.1660 0.1770 -0.0118 0.0078 -0.0083 425 GLU B N 5713 C CA . GLU B 344 ? 0.1411 0.1644 0.1759 -0.0108 0.0085 -0.0087 425 GLU B CA 5714 C C . GLU B 344 ? 0.1423 0.1655 0.1773 -0.0113 0.0099 -0.0092 425 GLU B C 5715 O O . GLU B 344 ? 0.1450 0.1663 0.1782 -0.0120 0.0111 -0.0094 425 GLU B O 5716 C CB . GLU B 344 ? 0.1406 0.1639 0.1757 -0.0101 0.0091 -0.0087 425 GLU B CB 5717 C CG . GLU B 344 ? 0.1379 0.1632 0.1757 -0.0088 0.0097 -0.0089 425 GLU B CG 5718 C CD . GLU B 344 ? 0.1377 0.1620 0.1750 -0.0081 0.0104 -0.0090 425 GLU B CD 5719 O OE1 . GLU B 344 ? 0.1380 0.1598 0.1730 -0.0086 0.0113 -0.0091 425 GLU B OE1 5720 O OE2 . GLU B 344 ? 0.1408 0.1666 0.1799 -0.0069 0.0100 -0.0088 425 GLU B OE2 5721 N N . LEU B 345 ? 0.1392 0.1644 0.1763 -0.0111 0.0097 -0.0093 426 LEU B N 5722 C CA . LEU B 345 ? 0.1396 0.1654 0.1775 -0.0119 0.0109 -0.0097 426 LEU B CA 5723 C C . LEU B 345 ? 0.1371 0.1661 0.1785 -0.0108 0.0115 -0.0099 426 LEU B C 5724 O O . LEU B 345 ? 0.1363 0.1674 0.1797 -0.0104 0.0105 -0.0098 426 LEU B O 5725 C CB . LEU B 345 ? 0.1407 0.1661 0.1777 -0.0128 0.0101 -0.0096 426 LEU B CB 5726 C CG . LEU B 345 ? 0.1417 0.1640 0.1754 -0.0134 0.0090 -0.0093 426 LEU B CG 5727 C CD1 . LEU B 345 ? 0.1439 0.1653 0.1766 -0.0139 0.0080 -0.0092 426 LEU B CD1 5728 C CD2 . LEU B 345 ? 0.1461 0.1657 0.1769 -0.0146 0.0100 -0.0094 426 LEU B CD2 5729 N N . ILE B 346 ? 0.1357 0.1649 0.1777 -0.0102 0.0130 -0.0102 427 ILE B N 5730 C CA . ILE B 346 ? 0.1362 0.1682 0.1815 -0.0087 0.0134 -0.0103 427 ILE B CA 5731 C C . ILE B 346 ? 0.1365 0.1716 0.1848 -0.0092 0.0143 -0.0106 427 ILE B C 5732 O O . ILE B 346 ? 0.1379 0.1725 0.1855 -0.0103 0.0159 -0.0110 427 ILE B O 5733 C CB . ILE B 346 ? 0.1372 0.1676 0.1817 -0.0076 0.0148 -0.0105 427 ILE B CB 5734 C CG1 . ILE B 346 ? 0.1395 0.1668 0.1809 -0.0076 0.0139 -0.0102 427 ILE B CG1 5735 C CG2 . ILE B 346 ? 0.1370 0.1703 0.1850 -0.0057 0.0149 -0.0105 427 ILE B CG2 5736 C CD1 . ILE B 346 ? 0.1427 0.1672 0.1819 -0.0070 0.0153 -0.0104 427 ILE B CD1 5737 N N . ARG B 347 ? 0.1363 0.1746 0.1877 -0.0085 0.0132 -0.0104 428 ARG B N 5738 C CA . ARG B 347 ? 0.1401 0.1822 0.1950 -0.0090 0.0138 -0.0106 428 ARG B CA 5739 C C . ARG B 347 ? 0.1455 0.1909 0.2043 -0.0069 0.0137 -0.0105 428 ARG B C 5740 O O . ARG B 347 ? 0.1461 0.1907 0.2046 -0.0054 0.0125 -0.0102 428 ARG B O 5741 C CB . ARG B 347 ? 0.1382 0.1811 0.1931 -0.0104 0.0121 -0.0104 428 ARG B CB 5742 C CG . ARG B 347 ? 0.1377 0.1771 0.1887 -0.0122 0.0120 -0.0105 428 ARG B CG 5743 C CD . ARG B 347 ? 0.1404 0.1789 0.1902 -0.0136 0.0140 -0.0109 428 ARG B CD 5744 N NE . ARG B 347 ? 0.1418 0.1840 0.1948 -0.0147 0.0151 -0.0112 428 ARG B NE 5745 C CZ . ARG B 347 ? 0.1431 0.1858 0.1958 -0.0168 0.0148 -0.0112 428 ARG B CZ 5746 N NH1 . ARG B 347 ? 0.1436 0.1830 0.1928 -0.0179 0.0134 -0.0110 428 ARG B NH1 5747 N NH2 . ARG B 347 ? 0.1456 0.1924 0.2017 -0.0178 0.0159 -0.0114 428 ARG B NH2 5748 N N . GLY B 348 ? 0.1526 0.2019 0.2151 -0.0070 0.0149 -0.0108 429 GLY B N 5749 C CA . GLY B 348 ? 0.1587 0.2117 0.2254 -0.0049 0.0147 -0.0106 429 GLY B CA 5750 C C . GLY B 348 ? 0.1696 0.2217 0.2364 -0.0030 0.0168 -0.0110 429 GLY B C 5751 O O . GLY B 348 ? 0.1684 0.2187 0.2333 -0.0038 0.0190 -0.0115 429 GLY B O 5752 N N . ARG B 349 ? 0.1827 0.2355 0.2511 -0.0004 0.0162 -0.0107 430 ARG B N 5753 C CA . ARG B 349 ? 0.2006 0.2527 0.2695 0.0018 0.0183 -0.0111 430 ARG B CA 5754 C C . ARG B 349 ? 0.2047 0.2506 0.2680 0.0018 0.0190 -0.0113 430 ARG B C 5755 O O . ARG B 349 ? 0.2121 0.2550 0.2722 0.0009 0.0174 -0.0109 430 ARG B O 5756 C CB . ARG B 349 ? 0.2095 0.2645 0.2822 0.0046 0.0173 -0.0106 430 ARG B CB 5757 C CG . ARG B 349 ? 0.2176 0.2796 0.2965 0.0046 0.0171 -0.0106 430 ARG B CG 5758 C CD . ARG B 349 ? 0.2271 0.2925 0.3104 0.0077 0.0163 -0.0102 430 ARG B CD 5759 N NE . ARG B 349 ? 0.2343 0.3070 0.3239 0.0075 0.0163 -0.0101 430 ARG B NE 5760 C CZ . ARG B 349 ? 0.2447 0.3222 0.3397 0.0101 0.0169 -0.0100 430 ARG B CZ 5761 N NH1 . ARG B 349 ? 0.2574 0.3326 0.3518 0.0135 0.0176 -0.0100 430 ARG B NH1 5762 N NH2 . ARG B 349 ? 0.2404 0.3251 0.3414 0.0093 0.0168 -0.0099 430 ARG B NH2 5763 N N . PRO B 350 ? 0.2137 0.2576 0.2757 0.0027 0.0216 -0.0118 431 PRO B N 5764 C CA . PRO B 350 ? 0.2175 0.2648 0.2833 0.0041 0.0240 -0.0124 431 PRO B CA 5765 C C . PRO B 350 ? 0.2144 0.2641 0.2813 0.0018 0.0259 -0.0129 431 PRO B C 5766 O O . PRO B 350 ? 0.2156 0.2693 0.2865 0.0027 0.0278 -0.0133 431 PRO B O 5767 C CB . PRO B 350 ? 0.2229 0.2651 0.2849 0.0058 0.0259 -0.0128 431 PRO B CB 5768 C CG . PRO B 350 ? 0.2264 0.2630 0.2823 0.0036 0.0253 -0.0127 431 PRO B CG 5769 C CD . PRO B 350 ? 0.2183 0.2560 0.2746 0.0024 0.0222 -0.0120 431 PRO B CD 5770 N N . GLN B 351 ? 0.2133 0.2605 0.2768 -0.0010 0.0253 -0.0129 432 GLN B N 5771 C CA . GLN B 351 ? 0.2151 0.2631 0.2782 -0.0034 0.0273 -0.0134 432 GLN B CA 5772 C C . GLN B 351 ? 0.2037 0.2579 0.2720 -0.0046 0.0269 -0.0133 432 GLN B C 5773 O O . GLN B 351 ? 0.1999 0.2566 0.2698 -0.0057 0.0291 -0.0138 432 GLN B O 5774 C CB . GLN B 351 ? 0.2263 0.2692 0.2837 -0.0060 0.0267 -0.0134 432 GLN B CB 5775 C CG . GLN B 351 ? 0.2412 0.2779 0.2931 -0.0056 0.0273 -0.0135 432 GLN B CG 5776 C CD . GLN B 351 ? 0.2600 0.2950 0.3104 -0.0051 0.0307 -0.0143 432 GLN B CD 5777 O OE1 . GLN B 351 ? 0.2695 0.3078 0.3227 -0.0054 0.0329 -0.0148 432 GLN B OE1 5778 N NE2 . GLN B 351 ? 0.2768 0.3064 0.3225 -0.0045 0.0312 -0.0145 432 GLN B NE2 5779 N N . GLU B 352 ? 0.1914 0.2480 0.2618 -0.0045 0.0240 -0.0126 433 GLU B N 5780 C CA . GLU B 352 ? 0.1854 0.2472 0.2599 -0.0061 0.0231 -0.0124 433 GLU B CA 5781 C C . GLU B 352 ? 0.1827 0.2494 0.2625 -0.0039 0.0215 -0.0119 433 GLU B C 5782 O O . GLU B 352 ? 0.1845 0.2504 0.2637 -0.0033 0.0188 -0.0113 433 GLU B O 5783 C CB . GLU B 352 ? 0.1839 0.2431 0.2549 -0.0086 0.0209 -0.0121 433 GLU B CB 5784 C CG . GLU B 352 ? 0.1867 0.2406 0.2522 -0.0106 0.0221 -0.0124 433 GLU B CG 5785 C CD . GLU B 352 ? 0.1849 0.2358 0.2469 -0.0125 0.0199 -0.0120 433 GLU B CD 5786 O OE1 . GLU B 352 ? 0.1861 0.2370 0.2471 -0.0150 0.0201 -0.0121 433 GLU B OE1 5787 O OE2 . GLU B 352 ? 0.1824 0.2308 0.2425 -0.0114 0.0180 -0.0116 433 GLU B OE2 5788 N N . THR B 353 ? 0.1785 0.2505 0.2635 -0.0026 0.0232 -0.0122 434 THR B N 5789 C CA . THR B 353 ? 0.1777 0.2542 0.2679 0.0002 0.0218 -0.0117 434 THR B CA 5790 C C . THR B 353 ? 0.1760 0.2588 0.2711 -0.0011 0.0196 -0.0111 434 THR B C 5791 O O . THR B 353 ? 0.1700 0.2569 0.2696 0.0011 0.0182 -0.0106 434 THR B O 5792 C CB . THR B 353 ? 0.1816 0.2607 0.2752 0.0029 0.0247 -0.0122 434 THR B CB 5793 O OG1 . THR B 353 ? 0.1825 0.2660 0.2791 0.0011 0.0272 -0.0127 434 THR B OG1 5794 C CG2 . THR B 353 ? 0.1847 0.2570 0.2728 0.0044 0.0265 -0.0127 434 THR B CG2 5795 N N . ARG B 354 ? 0.1752 0.2583 0.2692 -0.0046 0.0192 -0.0112 435 ARG B N 5796 C CA . ARG B 354 ? 0.1756 0.2634 0.2730 -0.0063 0.0167 -0.0106 435 ARG B CA 5797 C C . ARG B 354 ? 0.1728 0.2585 0.2688 -0.0050 0.0133 -0.0098 435 ARG B C 5798 O O . ARG B 354 ? 0.1719 0.2621 0.2719 -0.0044 0.0111 -0.0092 435 ARG B O 5799 C CB . ARG B 354 ? 0.1798 0.2663 0.2744 -0.0105 0.0166 -0.0108 435 ARG B CB 5800 C CG . ARG B 354 ? 0.1832 0.2736 0.2803 -0.0125 0.0139 -0.0102 435 ARG B CG 5801 C CD . ARG B 354 ? 0.1854 0.2748 0.2800 -0.0167 0.0139 -0.0103 435 ARG B CD 5802 N NE . ARG B 354 ? 0.1839 0.2769 0.2809 -0.0184 0.0111 -0.0097 435 ARG B NE 5803 C CZ . ARG B 354 ? 0.1879 0.2777 0.2818 -0.0185 0.0081 -0.0092 435 ARG B CZ 5804 N NH1 . ARG B 354 ? 0.1857 0.2689 0.2743 -0.0171 0.0076 -0.0093 435 ARG B NH1 5805 N NH2 . ARG B 354 ? 0.1885 0.2817 0.2847 -0.0201 0.0056 -0.0087 435 ARG B NH2 5806 N N . VAL B 355 ? 0.1700 0.2490 0.2601 -0.0046 0.0129 -0.0099 436 VAL B N 5807 C CA . VAL B 355 ? 0.1685 0.2447 0.2564 -0.0034 0.0101 -0.0093 436 VAL B CA 5808 C C . VAL B 355 ? 0.1745 0.2487 0.2620 0.0000 0.0104 -0.0092 436 VAL B C 5809 O O . VAL B 355 ? 0.1761 0.2490 0.2632 0.0013 0.0129 -0.0097 436 VAL B O 5810 C CB . VAL B 355 ? 0.1659 0.2363 0.2477 -0.0054 0.0093 -0.0093 436 VAL B CB 5811 C CG1 . VAL B 355 ? 0.1645 0.2359 0.2459 -0.0088 0.0091 -0.0095 436 VAL B CG1 5812 C CG2 . VAL B 355 ? 0.1647 0.2300 0.2423 -0.0048 0.0112 -0.0098 436 VAL B CG2 5813 N N . TRP B 356 ? 0.1795 0.2526 0.2664 0.0014 0.0079 -0.0085 437 TRP B N 5814 C CA . TRP B 356 ? 0.1862 0.2569 0.2722 0.0046 0.0079 -0.0083 437 TRP B CA 5815 C C . TRP B 356 ? 0.1730 0.2370 0.2528 0.0046 0.0076 -0.0083 437 TRP B C 5816 O O . TRP B 356 ? 0.1737 0.2345 0.2516 0.0067 0.0080 -0.0082 437 TRP B O 5817 C CB . TRP B 356 ? 0.2045 0.2787 0.2941 0.0065 0.0054 -0.0075 437 TRP B CB 5818 C CG . TRP B 356 ? 0.2272 0.3087 0.3237 0.0071 0.0058 -0.0074 437 TRP B CG 5819 C CD1 . TRP B 356 ? 0.2388 0.3256 0.3389 0.0047 0.0051 -0.0074 437 TRP B CD1 5820 C CD2 . TRP B 356 ? 0.2479 0.3325 0.3486 0.0104 0.0072 -0.0075 437 TRP B CD2 5821 N NE1 . TRP B 356 ? 0.2487 0.3422 0.3554 0.0061 0.0058 -0.0073 437 TRP B NE1 5822 C CE2 . TRP B 356 ? 0.2549 0.3473 0.3623 0.0098 0.0072 -0.0074 437 TRP B CE2 5823 C CE3 . TRP B 356 ? 0.2603 0.3416 0.3596 0.0137 0.0084 -0.0076 437 TRP B CE3 5824 C CZ2 . TRP B 356 ? 0.2639 0.3615 0.3772 0.0127 0.0085 -0.0074 437 TRP B CZ2 5825 C CZ3 . TRP B 356 ? 0.2692 0.3549 0.3737 0.0167 0.0097 -0.0077 437 TRP B CZ3 5826 C CH2 . TRP B 356 ? 0.2688 0.3628 0.3805 0.0163 0.0098 -0.0076 437 TRP B CH2 5827 N N . TRP B 357 ? 0.1573 0.2190 0.2339 0.0021 0.0070 -0.0084 438 TRP B N 5828 C CA . TRP B 357 ? 0.1510 0.2071 0.2223 0.0017 0.0067 -0.0083 438 TRP B CA 5829 C C . TRP B 357 ? 0.1485 0.2015 0.2168 0.0008 0.0089 -0.0089 438 TRP B C 5830 O O . TRP B 357 ? 0.1470 0.2018 0.2169 0.0001 0.0108 -0.0094 438 TRP B O 5831 C CB . TRP B 357 ? 0.1447 0.1999 0.2140 -0.0002 0.0047 -0.0081 438 TRP B CB 5832 C CG . TRP B 357 ? 0.1410 0.1986 0.2116 -0.0026 0.0047 -0.0083 438 TRP B CG 5833 C CD1 . TRP B 357 ? 0.1420 0.2035 0.2156 -0.0035 0.0033 -0.0080 438 TRP B CD1 5834 C CD2 . TRP B 357 ? 0.1389 0.1947 0.2073 -0.0045 0.0061 -0.0088 438 TRP B CD2 5835 N NE1 . TRP B 357 ? 0.1406 0.2027 0.2139 -0.0061 0.0039 -0.0084 438 TRP B NE1 5836 C CE2 . TRP B 357 ? 0.1385 0.1970 0.2085 -0.0066 0.0056 -0.0088 438 TRP B CE2 5837 C CE3 . TRP B 357 ? 0.1354 0.1875 0.2004 -0.0048 0.0076 -0.0091 438 TRP B CE3 5838 C CZ2 . TRP B 357 ? 0.1382 0.1953 0.2062 -0.0088 0.0066 -0.0092 438 TRP B CZ2 5839 C CZ3 . TRP B 357 ? 0.1364 0.1874 0.1997 -0.0069 0.0085 -0.0095 438 TRP B CZ3 5840 C CH2 . TRP B 357 ? 0.1358 0.1891 0.2005 -0.0088 0.0080 -0.0095 438 TRP B CH2 5841 N N . THR B 358 ? 0.1477 0.1962 0.2118 0.0008 0.0088 -0.0089 439 THR B N 5842 C CA . THR B 358 ? 0.1483 0.1934 0.2090 -0.0004 0.0102 -0.0093 439 THR B CA 5843 C C . THR B 358 ? 0.1447 0.1873 0.2022 -0.0016 0.0088 -0.0090 439 THR B C 5844 O O . THR B 358 ? 0.1402 0.1815 0.1966 -0.0008 0.0075 -0.0086 439 THR B O 5845 C CB . THR B 358 ? 0.1554 0.1972 0.2139 0.0010 0.0115 -0.0094 439 THR B CB 5846 O OG1 . THR B 358 ? 0.1618 0.2057 0.2232 0.0026 0.0131 -0.0097 439 THR B OG1 5847 C CG2 . THR B 358 ? 0.1564 0.1947 0.2111 -0.0005 0.0126 -0.0097 439 THR B CG2 5848 N N . SER B 359 ? 0.1431 0.1848 0.1991 -0.0034 0.0090 -0.0092 440 SER B N 5849 C CA . SER B 359 ? 0.1422 0.1818 0.1955 -0.0043 0.0078 -0.0090 440 SER B CA 5850 C C . SER B 359 ? 0.1445 0.1821 0.1955 -0.0057 0.0087 -0.0092 440 SER B C 5851 O O . SER B 359 ? 0.1495 0.1868 0.2004 -0.0061 0.0102 -0.0096 440 SER B O 5852 C CB . SER B 359 ? 0.1406 0.1819 0.1948 -0.0049 0.0062 -0.0088 440 SER B CB 5853 O OG . SER B 359 ? 0.1390 0.1781 0.1906 -0.0051 0.0053 -0.0086 440 SER B OG 5854 N N . ASN B 360 ? 0.1430 0.1790 0.1918 -0.0064 0.0077 -0.0091 441 ASN B N 5855 C CA . ASN B 360 ? 0.1425 0.1765 0.1890 -0.0076 0.0081 -0.0092 441 ASN B CA 5856 C C . ASN B 360 ? 0.1411 0.1742 0.1862 -0.0082 0.0070 -0.0090 441 ASN B C 5857 O O . ASN B 360 ? 0.1363 0.1699 0.1816 -0.0076 0.0059 -0.0089 441 ASN B O 5858 C CB . ASN B 360 ? 0.1452 0.1769 0.1896 -0.0074 0.0086 -0.0091 441 ASN B CB 5859 C CG . ASN B 360 ? 0.1457 0.1768 0.1891 -0.0069 0.0074 -0.0087 441 ASN B CG 5860 O OD1 . ASN B 360 ? 0.1510 0.1827 0.1951 -0.0060 0.0070 -0.0085 441 ASN B OD1 5861 N ND2 . ASN B 360 ? 0.1459 0.1760 0.1877 -0.0075 0.0068 -0.0085 441 ASN B ND2 5862 N N . SER B 361 ? 0.1407 0.1722 0.1840 -0.0093 0.0072 -0.0091 442 SER B N 5863 C CA . SER B 361 ? 0.1435 0.1733 0.1848 -0.0095 0.0062 -0.0090 442 SER B CA 5864 C C . SER B 361 ? 0.1457 0.1736 0.1850 -0.0096 0.0062 -0.0088 442 SER B C 5865 O O . SER B 361 ? 0.1444 0.1720 0.1836 -0.0097 0.0071 -0.0088 442 SER B O 5866 C CB . SER B 361 ? 0.1421 0.1711 0.1825 -0.0107 0.0060 -0.0092 442 SER B CB 5867 O OG . SER B 361 ? 0.1382 0.1659 0.1773 -0.0120 0.0069 -0.0093 442 SER B OG 5868 N N . ILE B 362 ? 0.1554 0.1819 0.1931 -0.0095 0.0053 -0.0085 443 ILE B N 5869 C CA . ILE B 362 ? 0.1589 0.1839 0.1949 -0.0097 0.0050 -0.0082 443 ILE B CA 5870 C C . ILE B 362 ? 0.1568 0.1795 0.1905 -0.0102 0.0044 -0.0081 443 ILE B C 5871 O O . ILE B 362 ? 0.1494 0.1715 0.1826 -0.0101 0.0039 -0.0082 443 ILE B O 5872 C CB . ILE B 362 ? 0.1678 0.1939 0.2045 -0.0087 0.0044 -0.0079 443 ILE B CB 5873 C CG1 . ILE B 362 ? 0.1732 0.1998 0.2101 -0.0077 0.0035 -0.0078 443 ILE B CG1 5874 C CG2 . ILE B 362 ? 0.1720 0.1997 0.2103 -0.0083 0.0050 -0.0079 443 ILE B CG2 5875 C CD1 . ILE B 362 ? 0.1776 0.2055 0.2152 -0.0068 0.0031 -0.0074 443 ILE B CD1 5876 N N . VAL B 363 ? 0.1539 0.1749 0.1858 -0.0108 0.0042 -0.0079 444 VAL B N 5877 C CA . VAL B 363 ? 0.1546 0.1732 0.1840 -0.0109 0.0032 -0.0075 444 VAL B CA 5878 C C . VAL B 363 ? 0.1534 0.1722 0.1825 -0.0106 0.0022 -0.0070 444 VAL B C 5879 O O . VAL B 363 ? 0.1536 0.1731 0.1832 -0.0110 0.0027 -0.0069 444 VAL B O 5880 C CB . VAL B 363 ? 0.1582 0.1739 0.1849 -0.0126 0.0037 -0.0077 444 VAL B CB 5881 C CG1 . VAL B 363 ? 0.1605 0.1754 0.1861 -0.0137 0.0047 -0.0078 444 VAL B CG1 5882 C CG2 . VAL B 363 ? 0.1620 0.1746 0.1857 -0.0126 0.0024 -0.0074 444 VAL B CG2 5883 N N . VAL B 364 ? 0.1507 0.1688 0.1791 -0.0097 0.0008 -0.0065 445 VAL B N 5884 C CA . VAL B 364 ? 0.1488 0.1683 0.1780 -0.0091 -0.0003 -0.0059 445 VAL B CA 5885 C C . VAL B 364 ? 0.1505 0.1677 0.1773 -0.0089 -0.0018 -0.0054 445 VAL B C 5886 O O . VAL B 364 ? 0.1488 0.1641 0.1743 -0.0081 -0.0023 -0.0054 445 VAL B O 5887 C CB . VAL B 364 ? 0.1452 0.1680 0.1773 -0.0074 -0.0005 -0.0059 445 VAL B CB 5888 C CG1 . VAL B 364 ? 0.1462 0.1713 0.1797 -0.0070 -0.0014 -0.0052 445 VAL B CG1 5889 C CG2 . VAL B 364 ? 0.1434 0.1679 0.1773 -0.0074 0.0008 -0.0064 445 VAL B CG2 5890 N N . PHE B 365 ? 0.1537 0.1704 0.1794 -0.0098 -0.0027 -0.0049 446 PHE B N 5891 C CA . PHE B 365 ? 0.1602 0.1746 0.1836 -0.0097 -0.0045 -0.0042 446 PHE B CA 5892 C C . PHE B 365 ? 0.1623 0.1799 0.1878 -0.0091 -0.0060 -0.0034 446 PHE B C 5893 O O . PHE B 365 ? 0.1592 0.1794 0.1867 -0.0097 -0.0055 -0.0035 446 PHE B O 5894 C CB . PHE B 365 ? 0.1643 0.1748 0.1836 -0.0119 -0.0043 -0.0042 446 PHE B CB 5895 C CG . PHE B 365 ? 0.1677 0.1745 0.1841 -0.0125 -0.0035 -0.0047 446 PHE B CG 5896 C CD1 . PHE B 365 ? 0.1663 0.1739 0.1840 -0.0127 -0.0017 -0.0054 446 PHE B CD1 5897 C CD2 . PHE B 365 ? 0.1734 0.1759 0.1857 -0.0131 -0.0047 -0.0043 446 PHE B CD2 5898 C CE1 . PHE B 365 ? 0.1689 0.1735 0.1841 -0.0136 -0.0009 -0.0058 446 PHE B CE1 5899 C CE2 . PHE B 365 ? 0.1757 0.1746 0.1849 -0.0140 -0.0039 -0.0046 446 PHE B CE2 5900 C CZ . PHE B 365 ? 0.1752 0.1753 0.1860 -0.0144 -0.0020 -0.0054 446 PHE B CZ 5901 N N . CYS B 366 ? 0.1694 0.1866 0.1945 -0.0078 -0.0079 -0.0028 447 CYS B N 5902 C CA . CYS B 366 ? 0.1710 0.1916 0.1985 -0.0073 -0.0096 -0.0019 447 CYS B CA 5903 C C . CYS B 366 ? 0.1728 0.1906 0.1972 -0.0079 -0.0118 -0.0010 447 CYS B C 5904 O O . CYS B 366 ? 0.1744 0.1878 0.1952 -0.0078 -0.0124 -0.0010 447 CYS B O 5905 C CB . CYS B 366 ? 0.1779 0.2020 0.2090 -0.0045 -0.0099 -0.0017 447 CYS B CB 5906 S SG . CYS B 366 ? 0.1837 0.2123 0.2189 -0.0041 -0.0078 -0.0024 447 CYS B SG 5907 N N . GLY B 367 ? 0.1691 0.1893 0.1946 -0.0089 -0.0132 -0.0003 448 GLY B N 5908 C CA . GLY B 367 ? 0.1754 0.1935 0.1983 -0.0096 -0.0158 0.0006 448 GLY B CA 5909 C C . GLY B 367 ? 0.1766 0.1945 0.1999 -0.0069 -0.0176 0.0013 448 GLY B C 5910 O O . GLY B 367 ? 0.1727 0.1942 0.2000 -0.0044 -0.0172 0.0012 448 GLY B O 5911 N N . THR B 368 ? 0.1856 0.1989 0.2046 -0.0074 -0.0194 0.0018 449 THR B N 5912 C CA . THR B 368 ? 0.1903 0.2022 0.2087 -0.0048 -0.0214 0.0026 449 THR B CA 5913 C C . THR B 368 ? 0.2020 0.2121 0.2178 -0.0057 -0.0246 0.0038 449 THR B C 5914 O O . THR B 368 ? 0.2038 0.2106 0.2156 -0.0087 -0.0248 0.0038 449 THR B O 5915 C CB . THR B 368 ? 0.1916 0.1976 0.2058 -0.0043 -0.0203 0.0019 449 THR B CB 5916 O OG1 . THR B 368 ? 0.1947 0.1988 0.2078 -0.0016 -0.0223 0.0026 449 THR B OG1 5917 C CG2 . THR B 368 ? 0.1940 0.1939 0.2021 -0.0074 -0.0198 0.0016 449 THR B CG2 5918 N N . SER B 369 ? 0.2108 0.2230 0.2287 -0.0031 -0.0271 0.0048 450 SER B N 5919 C CA . SER B 369 ? 0.2206 0.2306 0.2357 -0.0034 -0.0305 0.0061 450 SER B CA 5920 C C . SER B 369 ? 0.2274 0.2301 0.2369 -0.0022 -0.0315 0.0063 450 SER B C 5921 O O . SER B 369 ? 0.2362 0.2358 0.2424 -0.0021 -0.0345 0.0074 450 SER B O 5922 C CB . SER B 369 ? 0.2239 0.2408 0.2449 -0.0011 -0.0330 0.0072 450 SER B CB 5923 O OG . SER B 369 ? 0.2307 0.2500 0.2554 0.0028 -0.0323 0.0070 450 SER B OG 5924 N N . GLY B 370 ? 0.2216 0.2214 0.2297 -0.0014 -0.0290 0.0052 451 GLY B N 5925 C CA . GLY B 370 ? 0.2256 0.2181 0.2279 -0.0005 -0.0296 0.0053 451 GLY B CA 5926 C C . GLY B 370 ? 0.2264 0.2120 0.2220 -0.0040 -0.0284 0.0048 451 GLY B C 5927 O O . GLY B 370 ? 0.2301 0.2153 0.2240 -0.0070 -0.0283 0.0048 451 GLY B O 5928 N N . THR B 371 ? 0.2264 0.2064 0.2177 -0.0037 -0.0272 0.0042 452 THR B N 5929 C CA . THR B 371 ? 0.2252 0.1989 0.2102 -0.0071 -0.0257 0.0036 452 THR B CA 5930 C C . THR B 371 ? 0.2173 0.1914 0.2034 -0.0077 -0.0223 0.0022 452 THR B C 5931 O O . THR B 371 ? 0.2134 0.1915 0.2041 -0.0054 -0.0214 0.0018 452 THR B O 5932 C CB . THR B 371 ? 0.2339 0.1995 0.2117 -0.0072 -0.0278 0.0044 452 THR B CB 5933 O OG1 . THR B 371 ? 0.2346 0.1985 0.2122 -0.0040 -0.0283 0.0045 452 THR B OG1 5934 C CG2 . THR B 371 ? 0.2395 0.2045 0.2157 -0.0071 -0.0314 0.0058 452 THR B CG2 5935 N N . TYR B 372 ? 0.2150 0.1849 0.1967 -0.0108 -0.0204 0.0016 453 TYR B N 5936 C CA . TYR B 372 ? 0.2090 0.1800 0.1921 -0.0120 -0.0171 0.0003 453 TYR B CA 5937 C C . TYR B 372 ? 0.2123 0.1773 0.1891 -0.0153 -0.0157 -0.0001 453 TYR B C 5938 O O . TYR B 372 ? 0.2161 0.1764 0.1878 -0.0169 -0.0170 0.0005 453 TYR B O 5939 C CB . TYR B 372 ? 0.2007 0.1784 0.1895 -0.0125 -0.0154 -0.0003 453 TYR B CB 5940 C CG . TYR B 372 ? 0.1993 0.1772 0.1871 -0.0145 -0.0159 0.0001 453 TYR B CG 5941 C CD1 . TYR B 372 ? 0.2007 0.1751 0.1845 -0.0177 -0.0141 -0.0005 453 TYR B CD1 5942 C CD2 . TYR B 372 ? 0.1973 0.1787 0.1878 -0.0135 -0.0181 0.0009 453 TYR B CD2 5943 C CE1 . TYR B 372 ? 0.2027 0.1766 0.1847 -0.0196 -0.0144 -0.0003 453 TYR B CE1 5944 C CE2 . TYR B 372 ? 0.1996 0.1807 0.1885 -0.0157 -0.0186 0.0012 453 TYR B CE2 5945 C CZ . TYR B 372 ? 0.2011 0.1780 0.1854 -0.0187 -0.0168 0.0006 453 TYR B CZ 5946 O OH . TYR B 372 ? 0.2042 0.1801 0.1862 -0.0209 -0.0172 0.0009 453 TYR B OH 5947 N N . GLY B 373 ? 0.2113 0.1768 0.1889 -0.0165 -0.0130 -0.0012 454 GLY B N 5948 C CA . GLY B 373 ? 0.2150 0.1758 0.1875 -0.0198 -0.0111 -0.0017 454 GLY B CA 5949 C C . GLY B 373 ? 0.2103 0.1748 0.1857 -0.0218 -0.0082 -0.0027 454 GLY B C 5950 O O . GLY B 373 ? 0.2099 0.1777 0.1879 -0.0218 -0.0081 -0.0026 454 GLY B O 5951 N N . THR B 374 ? 0.2116 0.1755 0.1865 -0.0235 -0.0057 -0.0035 455 THR B N 5952 C CA . THR B 374 ? 0.2090 0.1765 0.1867 -0.0252 -0.0028 -0.0045 455 THR B CA 5953 C C . THR B 374 ? 0.2044 0.1755 0.1861 -0.0248 -0.0012 -0.0052 455 THR B C 5954 O O . THR B 374 ? 0.2069 0.1761 0.1874 -0.0242 -0.0019 -0.0052 455 THR B O 5955 C CB . THR B 374 ? 0.2167 0.1796 0.1889 -0.0285 -0.0010 -0.0048 455 THR B CB 5956 O OG1 . THR B 374 ? 0.2233 0.1812 0.1908 -0.0299 -0.0011 -0.0048 455 THR B OG1 5957 C CG2 . THR B 374 ? 0.2218 0.1812 0.1899 -0.0293 -0.0024 -0.0041 455 THR B CG2 5958 N N . GLY B 375 ? 0.1991 0.1750 0.1851 -0.0253 0.0010 -0.0060 456 GLY B N 5959 C CA . GLY B 375 ? 0.1960 0.1754 0.1857 -0.0254 0.0027 -0.0067 456 GLY B CA 5960 C C . GLY B 375 ? 0.1891 0.1737 0.1835 -0.0255 0.0048 -0.0073 456 GLY B C 5961 O O . GLY B 375 ? 0.1888 0.1733 0.1827 -0.0261 0.0055 -0.0074 456 GLY B O 5962 N N . SER B 376 ? 0.1862 0.1749 0.1849 -0.0251 0.0058 -0.0079 457 SER B N 5963 C CA . SER B 376 ? 0.1808 0.1747 0.1845 -0.0246 0.0075 -0.0084 457 SER B CA 5964 C C . SER B 376 ? 0.1741 0.1720 0.1822 -0.0231 0.0070 -0.0085 457 SER B C 5965 O O . SER B 376 ? 0.1773 0.1744 0.1847 -0.0238 0.0069 -0.0087 457 SER B O 5966 C CB . SER B 376 ? 0.1846 0.1789 0.1880 -0.0269 0.0102 -0.0091 457 SER B CB 5967 O OG . SER B 376 ? 0.1795 0.1789 0.1880 -0.0261 0.0118 -0.0096 457 SER B OG 5968 N N . TRP B 377 ? 0.1679 0.1695 0.1799 -0.0212 0.0068 -0.0085 458 TRP B N 5969 C CA . TRP B 377 ? 0.1632 0.1680 0.1789 -0.0195 0.0061 -0.0086 458 TRP B CA 5970 C C . TRP B 377 ? 0.1597 0.1692 0.1800 -0.0190 0.0074 -0.0090 458 TRP B C 5971 O O . TRP B 377 ? 0.1599 0.1716 0.1825 -0.0174 0.0070 -0.0088 458 TRP B O 5972 C CB . TRP B 377 ? 0.1634 0.1679 0.1791 -0.0174 0.0041 -0.0080 458 TRP B CB 5973 C CG . TRP B 377 ? 0.1652 0.1652 0.1767 -0.0174 0.0026 -0.0075 458 TRP B CG 5974 C CD1 . TRP B 377 ? 0.1672 0.1654 0.1774 -0.0167 0.0016 -0.0075 458 TRP B CD1 5975 C CD2 . TRP B 377 ? 0.1658 0.1620 0.1734 -0.0180 0.0017 -0.0070 458 TRP B CD2 5976 N NE1 . TRP B 377 ? 0.1704 0.1639 0.1763 -0.0167 0.0002 -0.0070 458 TRP B NE1 5977 C CE2 . TRP B 377 ? 0.1691 0.1615 0.1734 -0.0174 0.0002 -0.0066 458 TRP B CE2 5978 C CE3 . TRP B 377 ? 0.1663 0.1616 0.1725 -0.0190 0.0020 -0.0069 458 TRP B CE3 5979 C CZ2 . TRP B 377 ? 0.1732 0.1611 0.1731 -0.0177 -0.0012 -0.0060 458 TRP B CZ2 5980 C CZ3 . TRP B 377 ? 0.1698 0.1606 0.1714 -0.0195 0.0006 -0.0063 458 TRP B CZ3 5981 C CH2 . TRP B 377 ? 0.1730 0.1603 0.1717 -0.0188 -0.0011 -0.0058 458 TRP B CH2 5982 N N . PRO B 378 ? 0.1586 0.1698 0.1802 -0.0203 0.0091 -0.0095 459 PRO B N 5983 C CA . PRO B 378 ? 0.1567 0.1722 0.1826 -0.0197 0.0104 -0.0098 459 PRO B CA 5984 C C . PRO B 378 ? 0.1529 0.1716 0.1822 -0.0185 0.0095 -0.0098 459 PRO B C 5985 O O . PRO B 378 ? 0.1547 0.1721 0.1829 -0.0182 0.0080 -0.0096 459 PRO B O 5986 C CB . PRO B 378 ? 0.1577 0.1739 0.1838 -0.0216 0.0124 -0.0103 459 PRO B CB 5987 C CG . PRO B 378 ? 0.1616 0.1751 0.1847 -0.0234 0.0118 -0.0102 459 PRO B CG 5988 C CD . PRO B 378 ? 0.1629 0.1722 0.1822 -0.0226 0.0099 -0.0097 459 PRO B CD 5989 N N . ASP B 379 ? 0.1527 0.1753 0.1859 -0.0177 0.0103 -0.0101 460 ASP B N 5990 C CA . ASP B 379 ? 0.1505 0.1759 0.1867 -0.0166 0.0094 -0.0100 460 ASP B CA 5991 C C . ASP B 379 ? 0.1534 0.1787 0.1891 -0.0181 0.0088 -0.0101 460 ASP B C 5992 O O . ASP B 379 ? 0.1527 0.1773 0.1878 -0.0175 0.0074 -0.0099 460 ASP B O 5993 C CB . ASP B 379 ? 0.1497 0.1790 0.1899 -0.0157 0.0104 -0.0102 460 ASP B CB 5994 C CG . ASP B 379 ? 0.1501 0.1823 0.1931 -0.0149 0.0092 -0.0101 460 ASP B CG 5995 O OD1 . ASP B 379 ? 0.1487 0.1803 0.1915 -0.0135 0.0080 -0.0098 460 ASP B OD1 5996 O OD2 . ASP B 379 ? 0.1523 0.1871 0.1976 -0.0158 0.0096 -0.0102 460 ASP B OD2 5997 N N . GLY B 380 ? 0.1555 0.1815 0.1914 -0.0200 0.0101 -0.0104 461 GLY B N 5998 C CA . GLY B 380 ? 0.1586 0.1840 0.1933 -0.0220 0.0096 -0.0104 461 GLY B CA 5999 C C . GLY B 380 ? 0.1572 0.1869 0.1958 -0.0225 0.0094 -0.0105 461 GLY B C 6000 O O . GLY B 380 ? 0.1606 0.1901 0.1984 -0.0246 0.0091 -0.0106 461 GLY B O 6001 N N . ALA B 381 ? 0.1510 0.1846 0.1937 -0.0207 0.0094 -0.0105 462 ALA B N 6002 C CA . ALA B 381 ? 0.1507 0.1889 0.1974 -0.0211 0.0090 -0.0105 462 ALA B CA 6003 C C . ALA B 381 ? 0.1504 0.1921 0.2000 -0.0227 0.0109 -0.0108 462 ALA B C 6004 O O . ALA B 381 ? 0.1572 0.1989 0.2069 -0.0225 0.0127 -0.0111 462 ALA B O 6005 C CB . ALA B 381 ? 0.1465 0.1873 0.1963 -0.0186 0.0084 -0.0103 462 ALA B CB 6006 N N . ASN B 382 ? 0.1520 0.1966 0.2035 -0.0245 0.0103 -0.0108 463 ASN B N 6007 C CA . ASN B 382 ? 0.1526 0.2022 0.2082 -0.0260 0.0119 -0.0110 463 ASN B CA 6008 C C . ASN B 382 ? 0.1497 0.2048 0.2111 -0.0237 0.0116 -0.0108 463 ASN B C 6009 O O . ASN B 382 ? 0.1459 0.2027 0.2088 -0.0233 0.0096 -0.0105 463 ASN B O 6010 C CB . ASN B 382 ? 0.1548 0.2050 0.2097 -0.0293 0.0113 -0.0110 463 ASN B CB 6011 C CG . ASN B 382 ? 0.1585 0.2145 0.2180 -0.0312 0.0130 -0.0112 463 ASN B CG 6012 O OD1 . ASN B 382 ? 0.1526 0.2135 0.2171 -0.0294 0.0143 -0.0113 463 ASN B OD1 6013 N ND2 . ASN B 382 ? 0.1628 0.2183 0.2205 -0.0348 0.0132 -0.0112 463 ASN B ND2 6014 N N . ILE B 383 ? 0.1549 0.2124 0.2190 -0.0221 0.0136 -0.0111 464 ILE B N 6015 C CA . ILE B 383 ? 0.1566 0.2188 0.2259 -0.0196 0.0134 -0.0109 464 ILE B CA 6016 C C . ILE B 383 ? 0.1619 0.2301 0.2361 -0.0206 0.0123 -0.0106 464 ILE B C 6017 O O . ILE B 383 ? 0.1616 0.2325 0.2389 -0.0187 0.0107 -0.0102 464 ILE B O 6018 C CB . ILE B 383 ? 0.1576 0.2210 0.2287 -0.0179 0.0160 -0.0113 464 ILE B CB 6019 C CG1 . ILE B 383 ? 0.1559 0.2214 0.2302 -0.0144 0.0155 -0.0111 464 ILE B CG1 6020 C CG2 . ILE B 383 ? 0.1600 0.2279 0.2345 -0.0196 0.0183 -0.0117 464 ILE B CG2 6021 C CD1 . ILE B 383 ? 0.1553 0.2159 0.2258 -0.0128 0.0140 -0.0108 464 ILE B CD1 6022 N N . ASN B 384 ? 0.1690 0.2391 0.2438 -0.0237 0.0130 -0.0108 465 ASN B N 6023 C CA . ASN B 384 ? 0.1793 0.2556 0.2590 -0.0252 0.0119 -0.0105 465 ASN B CA 6024 C C . ASN B 384 ? 0.1808 0.2556 0.2586 -0.0263 0.0087 -0.0100 465 ASN B C 6025 O O . ASN B 384 ? 0.1811 0.2609 0.2629 -0.0272 0.0072 -0.0096 465 ASN B O 6026 C CB . ASN B 384 ? 0.1935 0.2721 0.2739 -0.0287 0.0139 -0.0109 465 ASN B CB 6027 C CG . ASN B 384 ? 0.2082 0.2893 0.2913 -0.0277 0.0173 -0.0114 465 ASN B CG 6028 O OD1 . ASN B 384 ? 0.2170 0.3018 0.3045 -0.0247 0.0180 -0.0114 465 ASN B OD1 6029 N ND2 . ASN B 384 ? 0.2292 0.3078 0.3090 -0.0302 0.0194 -0.0119 465 ASN B ND2 6030 N N . PHE B 385 ? 0.1800 0.2480 0.2517 -0.0263 0.0077 -0.0100 466 PHE B N 6031 C CA . PHE B 385 ? 0.1833 0.2488 0.2522 -0.0270 0.0049 -0.0097 466 PHE B CA 6032 C C . PHE B 385 ? 0.1840 0.2490 0.2535 -0.0238 0.0033 -0.0093 466 PHE B C 6033 O O . PHE B 385 ? 0.1925 0.2555 0.2597 -0.0241 0.0011 -0.0090 466 PHE B O 6034 C CB . PHE B 385 ? 0.1853 0.2434 0.2471 -0.0284 0.0047 -0.0099 466 PHE B CB 6035 C CG . PHE B 385 ? 0.1903 0.2473 0.2499 -0.0320 0.0056 -0.0101 466 PHE B CG 6036 C CD1 . PHE B 385 ? 0.1939 0.2565 0.2577 -0.0344 0.0063 -0.0101 466 PHE B CD1 6037 C CD2 . PHE B 385 ? 0.1951 0.2450 0.2481 -0.0331 0.0056 -0.0103 466 PHE B CD2 6038 C CE1 . PHE B 385 ? 0.1989 0.2601 0.2601 -0.0382 0.0072 -0.0103 466 PHE B CE1 6039 C CE2 . PHE B 385 ? 0.2016 0.2496 0.2517 -0.0366 0.0063 -0.0104 466 PHE B CE2 6040 C CZ . PHE B 385 ? 0.2027 0.2562 0.2567 -0.0393 0.0072 -0.0105 466 PHE B CZ 6041 N N . MET B 386 ? 0.1823 0.2485 0.2540 -0.0209 0.0045 -0.0094 467 MET B N 6042 C CA . MET B 386 ? 0.1816 0.2462 0.2527 -0.0181 0.0033 -0.0091 467 MET B CA 6043 C C . MET B 386 ? 0.1897 0.2594 0.2656 -0.0169 0.0016 -0.0085 467 MET B C 6044 O O . MET B 386 ? 0.1944 0.2697 0.2754 -0.0170 0.0023 -0.0085 467 MET B O 6045 C CB . MET B 386 ? 0.1727 0.2356 0.2434 -0.0156 0.0051 -0.0093 467 MET B CB 6046 C CG . MET B 386 ? 0.1709 0.2288 0.2369 -0.0164 0.0065 -0.0097 467 MET B CG 6047 S SD . MET B 386 ? 0.1671 0.2190 0.2272 -0.0172 0.0048 -0.0096 467 MET B SD 6048 C CE . MET B 386 ? 0.1684 0.2195 0.2284 -0.0142 0.0035 -0.0092 467 MET B CE 6049 N N . PRO B 387 ? 0.2005 0.2681 0.2746 -0.0157 -0.0005 -0.0081 468 PRO B N 6050 C CA . PRO B 387 ? 0.2061 0.2775 0.2841 -0.0138 -0.0020 -0.0076 468 PRO B CA 6051 C C . PRO B 387 ? 0.2087 0.2818 0.2896 -0.0109 -0.0001 -0.0077 468 PRO B C 6052 O O . PRO B 387 ? 0.2042 0.2736 0.2823 -0.0100 0.0016 -0.0081 468 PRO B O 6053 C CB . PRO B 387 ? 0.2106 0.2775 0.2844 -0.0129 -0.0040 -0.0073 468 PRO B CB 6054 C CG . PRO B 387 ? 0.2113 0.2730 0.2796 -0.0147 -0.0038 -0.0076 468 PRO B CG 6055 C CD . PRO B 387 ? 0.2086 0.2701 0.2769 -0.0157 -0.0013 -0.0082 468 PRO B CD 6056 N N . ILE B 388 ? 0.2159 0.2946 0.3024 -0.0095 -0.0005 -0.0074 469 ILE B N 6057 C CA . ILE B 388 ? 0.2226 0.3026 0.3117 -0.0067 0.0016 -0.0075 469 ILE B CA 6058 C C . ILE B 388 ? 0.2213 0.2982 0.3085 -0.0037 0.0005 -0.0072 469 ILE B C 6059 O O . ILE B 388 ? 0.2265 0.3020 0.3121 -0.0037 -0.0020 -0.0066 469 ILE B O 6060 C CB . ILE B 388 ? 0.2282 0.3157 0.3244 -0.0061 0.0022 -0.0075 469 ILE B CB 6061 C CG1 . ILE B 388 ? 0.2333 0.3251 0.3331 -0.0055 -0.0009 -0.0066 469 ILE B CG1 6062 C CG2 . ILE B 388 ? 0.2297 0.3198 0.3271 -0.0094 0.0037 -0.0079 469 ILE B CG2 6063 C CD1 . ILE B 388 ? 0.2371 0.3368 0.3446 -0.0041 -0.0003 -0.0064 469 ILE B CD1 6064 O OXT . ILE B 388 ? 0.2073 0.2826 0.2943 -0.0014 0.0022 -0.0074 469 ILE B OXT 6065 CA CA . CA C . ? 0.2220 0.1798 0.1918 -0.0088 0.0006 0.0065 501 CA A CA 6066 C C1 . NAG D . ? 0.3998 0.4754 0.5241 -0.0013 0.0128 -0.0087 502 NAG A C1 6067 C C2 . NAG D . ? 0.4169 0.4978 0.5497 0.0004 0.0104 -0.0100 502 NAG A C2 6068 C C3 . NAG D . ? 0.4350 0.5218 0.5762 -0.0016 0.0127 -0.0111 502 NAG A C3 6069 C C4 . NAG D . ? 0.4450 0.5323 0.5860 -0.0024 0.0181 -0.0114 502 NAG A C4 6070 C C5 . NAG D . ? 0.4451 0.5259 0.5763 -0.0039 0.0198 -0.0100 502 NAG A C5 6071 C C6 . NAG D . ? 0.4610 0.5408 0.5903 -0.0046 0.0250 -0.0103 502 NAG A C6 6072 C C7 . NAG D . ? 0.4120 0.4920 0.5453 0.0037 0.0023 -0.0099 502 NAG A C7 6073 C C8 . NAG D . ? 0.4068 0.4848 0.5382 0.0036 -0.0022 -0.0094 502 NAG A C8 6074 N N2 . NAG D . ? 0.4074 0.4872 0.5395 0.0009 0.0057 -0.0096 502 NAG A N2 6075 O O3 . NAG D . ? 0.4484 0.5407 0.5982 0.0003 0.0104 -0.0124 502 NAG A O3 6076 O O4 . NAG D . ? 0.4411 0.5336 0.5894 -0.0047 0.0205 -0.0123 502 NAG A O4 6077 O O5 . NAG D . ? 0.4282 0.5043 0.5528 -0.0019 0.0173 -0.0092 502 NAG A O5 6078 O O6 . NAG D . ? 0.4881 0.5685 0.6183 -0.0016 0.0257 -0.0110 502 NAG A O6 6079 O O7 . NAG D . ? 0.4208 0.5018 0.5559 0.0063 0.0026 -0.0106 502 NAG A O7 6080 C C1 . NAG E . ? 0.2745 0.2345 0.2388 -0.0048 0.0053 -0.0032 503 NAG A C1 6081 C C2 . NAG E . ? 0.2947 0.2481 0.2520 -0.0049 0.0082 -0.0037 503 NAG A C2 6082 C C3 . NAG E . ? 0.2912 0.2388 0.2420 -0.0048 0.0053 -0.0043 503 NAG A C3 6083 C C4 . NAG E . ? 0.2793 0.2316 0.2358 -0.0050 0.0026 -0.0046 503 NAG A C4 6084 C C5 . NAG E . ? 0.2690 0.2285 0.2331 -0.0050 0.0002 -0.0041 503 NAG A C5 6085 C C6 . NAG E . ? 0.2607 0.2250 0.2306 -0.0054 -0.0020 -0.0043 503 NAG A C6 6086 C C7 . NAG E . ? 0.3511 0.3023 0.3062 -0.0054 0.0153 -0.0033 503 NAG A C7 6087 C C8 . NAG E . ? 0.3674 0.3131 0.3162 -0.0060 0.0181 -0.0030 503 NAG A C8 6088 N N2 . NAG E . ? 0.3242 0.2729 0.2761 -0.0051 0.0111 -0.0035 503 NAG A N2 6089 O O3 . NAG E . ? 0.2925 0.2339 0.2369 -0.0048 0.0083 -0.0048 503 NAG A O3 6090 O O4 . NAG E . ? 0.2842 0.2312 0.2349 -0.0051 -0.0006 -0.0052 503 NAG A O4 6091 O O5 . NAG E . ? 0.2655 0.2293 0.2344 -0.0049 0.0031 -0.0035 503 NAG A O5 6092 O O6 . NAG E . ? 0.2547 0.2214 0.2283 -0.0054 0.0009 -0.0043 503 NAG A O6 6093 O O7 . NAG E . ? 0.3624 0.3201 0.3254 -0.0054 0.0166 -0.0032 503 NAG A O7 6094 C C1 . NAG F . ? 0.2867 0.2323 0.2368 -0.0053 0.0000 -0.0058 504 NAG A C1 6095 C C2 . NAG F . ? 0.2915 0.2338 0.2380 -0.0058 -0.0045 -0.0064 504 NAG A C2 6096 C C3 . NAG F . ? 0.2946 0.2341 0.2393 -0.0062 -0.0042 -0.0071 504 NAG A C3 6097 C C4 . NAG F . ? 0.2998 0.2333 0.2382 -0.0056 0.0001 -0.0074 504 NAG A C4 6098 C C5 . NAG F . ? 0.2945 0.2325 0.2377 -0.0050 0.0045 -0.0068 504 NAG A C5 6099 C C6 . NAG F . ? 0.3010 0.2338 0.2387 -0.0044 0.0092 -0.0071 504 NAG A C6 6100 C C7 . NAG F . ? 0.2942 0.2425 0.2464 -0.0061 -0.0119 -0.0062 504 NAG A C7 6101 C C8 . NAG F . ? 0.2898 0.2454 0.2500 -0.0064 -0.0152 -0.0061 504 NAG A C8 6102 N N2 . NAG F . ? 0.2859 0.2346 0.2393 -0.0062 -0.0082 -0.0062 504 NAG A N2 6103 O O3 . NAG F . ? 0.2977 0.2335 0.2384 -0.0068 -0.0085 -0.0077 504 NAG A O3 6104 O O4 . NAG F . ? 0.3039 0.2363 0.2423 -0.0057 0.0005 -0.0080 504 NAG A O4 6105 O O5 . NAG F . ? 0.2948 0.2348 0.2391 -0.0050 0.0039 -0.0061 504 NAG A O5 6106 O O6 . NAG F . ? 0.3066 0.2314 0.2347 -0.0044 0.0089 -0.0073 504 NAG A O6 6107 O O7 . NAG F . ? 0.3046 0.2468 0.2493 -0.0055 -0.0126 -0.0063 504 NAG A O7 6108 C C1 . BMA G . ? 0.3174 0.2408 0.2462 -0.0054 0.0017 -0.0087 505 BMA A C1 6109 C C2 . BMA G . ? 0.3172 0.2403 0.2470 -0.0050 0.0043 -0.0091 505 BMA A C2 6110 C C3 . BMA G . ? 0.3329 0.2462 0.2521 -0.0043 0.0061 -0.0099 505 BMA A C3 6111 C C4 . BMA G . ? 0.3405 0.2470 0.2521 -0.0051 0.0015 -0.0104 505 BMA A C4 6112 C C5 . BMA G . ? 0.3388 0.2470 0.2509 -0.0056 -0.0015 -0.0099 505 BMA A C5 6113 C C6 . BMA G . ? 0.3457 0.2487 0.2521 -0.0063 -0.0070 -0.0104 505 BMA A C6 6114 O O2 . BMA G . ? 0.3064 0.2320 0.2399 -0.0059 0.0011 -0.0093 505 BMA A O2 6115 O O3 . BMA G . ? 0.3368 0.2488 0.2560 -0.0038 0.0080 -0.0105 505 BMA A O3 6116 O O4 . BMA G . ? 0.3540 0.2509 0.2550 -0.0045 0.0035 -0.0111 505 BMA A O4 6117 O O5 . BMA G . ? 0.3254 0.2433 0.2480 -0.0060 -0.0027 -0.0092 505 BMA A O5 6118 O O6 . BMA G . ? 0.3596 0.2619 0.2639 -0.0061 -0.0089 -0.0101 505 BMA A O6 6119 C C1 . MAN H . ? 0.3513 0.2609 0.2682 -0.0024 0.0132 -0.0108 506 MAN A C1 6120 C C2 . MAN H . ? 0.3587 0.2643 0.2726 -0.0015 0.0150 -0.0116 506 MAN A C2 6121 C C3 . MAN H . ? 0.3485 0.2628 0.2729 -0.0010 0.0165 -0.0112 506 MAN A C3 6122 C C4 . MAN H . ? 0.3421 0.2623 0.2722 -0.0004 0.0201 -0.0107 506 MAN A C4 6123 C C5 . MAN H . ? 0.3381 0.2597 0.2681 -0.0015 0.0182 -0.0099 506 MAN A C5 6124 C C6 . MAN H . ? 0.3332 0.2599 0.2682 -0.0012 0.0217 -0.0094 506 MAN A C6 6125 O O2 . MAN H . ? 0.3727 0.2722 0.2798 -0.0002 0.0194 -0.0122 506 MAN A O2 6126 O O3 . MAN H . ? 0.3604 0.2721 0.2836 0.0002 0.0183 -0.0119 506 MAN A O3 6127 O O4 . MAN H . ? 0.3362 0.2645 0.2760 0.0000 0.0205 -0.0103 506 MAN A O4 6128 O O5 . MAN H . ? 0.3462 0.2591 0.2660 -0.0018 0.0171 -0.0103 506 MAN A O5 6129 O O6 . MAN H . ? 0.3319 0.2597 0.2668 -0.0022 0.0192 -0.0087 506 MAN A O6 6130 C C1 . G39 I . ? 0.3303 0.3389 0.3561 -0.0099 0.0069 0.0038 507 G39 A C1 6131 O O1A . G39 I . ? 0.3157 0.3199 0.3369 -0.0108 0.0071 0.0041 507 G39 A O1A 6132 O O1B . G39 I . ? 0.3068 0.3188 0.3372 -0.0099 0.0062 0.0036 507 G39 A O1B 6133 C C2 . G39 I . ? 0.3290 0.3383 0.3543 -0.0088 0.0071 0.0037 507 G39 A C2 6134 C C3 . G39 I . ? 0.3251 0.3386 0.3550 -0.0079 0.0069 0.0034 507 G39 A C3 6135 C C4 . G39 I . ? 0.3215 0.3348 0.3497 -0.0065 0.0064 0.0034 507 G39 A C4 6136 C C5 . G39 I . ? 0.3273 0.3369 0.3510 -0.0072 0.0078 0.0033 507 G39 A C5 6137 N N5 . G39 I . ? 0.3111 0.3203 0.3331 -0.0060 0.0068 0.0032 507 G39 A N5 6138 C C10 . G39 I . ? 0.3020 0.3116 0.3244 -0.0061 0.0080 0.0028 507 G39 A C10 6139 O O10 . G39 I . ? 0.2917 0.3020 0.3158 -0.0071 0.0102 0.0025 507 G39 A O10 6140 C C11 . G39 I . ? 0.2990 0.3080 0.3194 -0.0049 0.0064 0.0027 507 G39 A C11 6141 C C6 . G39 I . ? 0.3378 0.3428 0.3563 -0.0076 0.0073 0.0036 507 G39 A C6 6142 C C7 . G39 I . ? 0.3394 0.3445 0.3592 -0.0086 0.0075 0.0038 507 G39 A C7 6143 O O7 . G39 I . ? 0.3512 0.3518 0.3648 -0.0085 0.0089 0.0036 507 G39 A O7 6144 C C8 . G39 I . ? 0.3753 0.3720 0.3833 -0.0073 0.0073 0.0038 507 G39 A C8 6145 C C9 . G39 I . ? 0.3817 0.3759 0.3867 -0.0065 0.0053 0.0041 507 G39 A C9 6146 C C81 . G39 I . ? 0.3844 0.3762 0.3870 -0.0083 0.0091 0.0037 507 G39 A C81 6147 C C82 . G39 I . ? 0.3820 0.3764 0.3873 -0.0082 0.0102 0.0032 507 G39 A C82 6148 C C91 . G39 I . ? 0.3883 0.3780 0.3894 -0.0084 0.0069 0.0044 507 G39 A C91 6149 N N4 . G39 I . ? 0.3143 0.3314 0.3468 -0.0059 0.0065 0.0031 507 G39 A N4 6150 CA CA . CA J . ? 0.2075 0.1710 0.1854 -0.0193 0.0230 -0.0124 501 CA B CA 6151 C C1 . NAG K . ? 0.3356 0.4164 0.4341 0.0152 -0.0010 -0.0051 502 NAG B C1 6152 C C2 . NAG K . ? 0.3470 0.4356 0.4517 0.0141 -0.0027 -0.0046 502 NAG B C2 6153 C C3 . NAG K . ? 0.3652 0.4604 0.4770 0.0166 -0.0011 -0.0047 502 NAG B C3 6154 C C4 . NAG K . ? 0.3755 0.4686 0.4874 0.0211 -0.0012 -0.0044 502 NAG B C4 6155 C C5 . NAG K . ? 0.3766 0.4608 0.4810 0.0216 0.0005 -0.0049 502 NAG B C5 6156 C C6 . NAG K . ? 0.3890 0.4698 0.4921 0.0259 0.0004 -0.0045 502 NAG B C6 6157 C C7 . NAG K . ? 0.3472 0.4382 0.4510 0.0074 -0.0048 -0.0046 502 NAG B C7 6158 C C8 . NAG K . ? 0.3454 0.4367 0.4481 0.0036 -0.0037 -0.0052 502 NAG B C8 6159 N N2 . NAG K . ? 0.3415 0.4313 0.4457 0.0101 -0.0022 -0.0051 502 NAG B N2 6160 O O3 . NAG K . ? 0.3649 0.4677 0.4828 0.0155 -0.0032 -0.0041 502 NAG B O3 6161 O O4 . NAG K . ? 0.3812 0.4798 0.4991 0.0236 0.0010 -0.0047 502 NAG B O4 6162 O O5 . NAG K . ? 0.3583 0.4377 0.4570 0.0191 -0.0013 -0.0046 502 NAG B O5 6163 O O6 . NAG K . ? 0.4115 0.4928 0.5152 0.0271 -0.0033 -0.0034 502 NAG B O6 6164 O O7 . NAG K . ? 0.3496 0.4408 0.4534 0.0079 -0.0079 -0.0038 502 NAG B O7 6165 C C1 . NAG L . ? 0.3069 0.2345 0.2533 -0.0134 0.0051 -0.0005 503 NAG B C1 6166 C C2 . NAG L . ? 0.3307 0.2487 0.2701 -0.0110 0.0044 0.0000 503 NAG B C2 6167 C C3 . NAG L . ? 0.3331 0.2443 0.2644 -0.0145 0.0041 0.0007 503 NAG B C3 6168 C C4 . NAG L . ? 0.3189 0.2360 0.2531 -0.0171 0.0038 0.0011 503 NAG B C4 6169 C C5 . NAG L . ? 0.3058 0.2328 0.2476 -0.0190 0.0047 0.0005 503 NAG B C5 6170 C C6 . NAG L . ? 0.2945 0.2276 0.2396 -0.0210 0.0047 0.0008 503 NAG B C6 6171 C C7 . NAG L . ? 0.3789 0.2869 0.3138 -0.0046 0.0048 -0.0005 503 NAG B C7 6172 C C8 . NAG L . ? 0.3940 0.2966 0.3258 -0.0030 0.0060 -0.0012 503 NAG B C8 6173 N N2 . NAG L . ? 0.3546 0.2673 0.2912 -0.0091 0.0052 -0.0005 503 NAG B N2 6174 O O3 . NAG L . ? 0.3429 0.2457 0.2682 -0.0117 0.0031 0.0012 503 NAG B O3 6175 O O4 . NAG L . ? 0.3236 0.2348 0.2502 -0.0211 0.0039 0.0017 503 NAG B O4 6176 O O5 . NAG L . ? 0.2982 0.2304 0.2468 -0.0154 0.0047 -0.0001 503 NAG B O5 6177 O O6 . NAG L . ? 0.2892 0.2247 0.2376 -0.0176 0.0037 0.0009 503 NAG B O6 6178 O O7 . NAG L . ? 0.4051 0.3128 0.3408 -0.0017 0.0035 0.0000 503 NAG B O7 6179 C C1 . NAG M . ? 0.3228 0.2318 0.2468 -0.0206 0.0030 0.0024 504 NAG B C1 6180 C C2 . NAG M . ? 0.3286 0.2339 0.2461 -0.0260 0.0035 0.0029 504 NAG B C2 6181 C C3 . NAG M . ? 0.3323 0.2339 0.2457 -0.0258 0.0026 0.0037 504 NAG B C3 6182 C C4 . NAG M . ? 0.3392 0.2325 0.2478 -0.0214 0.0010 0.0041 504 NAG B C4 6183 C C5 . NAG M . ? 0.3320 0.2303 0.2482 -0.0162 0.0005 0.0035 504 NAG B C5 6184 C C6 . NAG M . ? 0.3400 0.2306 0.2522 -0.0115 -0.0010 0.0040 504 NAG B C6 6185 C C7 . NAG M . ? 0.3293 0.2439 0.2511 -0.0337 0.0057 0.0025 504 NAG B C7 6186 C C8 . NAG M . ? 0.3235 0.2480 0.2516 -0.0368 0.0067 0.0022 504 NAG B C8 6187 N N2 . NAG M . ? 0.3224 0.2364 0.2453 -0.0296 0.0047 0.0026 504 NAG B N2 6188 O O3 . NAG M . ? 0.3327 0.2305 0.2396 -0.0310 0.0034 0.0041 504 NAG B O3 6189 O O4 . NAG M . ? 0.3441 0.2357 0.2504 -0.0211 -0.0001 0.0048 504 NAG B O4 6190 O O5 . NAG M . ? 0.3310 0.2322 0.2504 -0.0168 0.0017 0.0028 504 NAG B O5 6191 O O6 . NAG M . ? 0.3469 0.2277 0.2506 -0.0126 -0.0006 0.0041 504 NAG B O6 6192 O O7 . NAG M . ? 0.3412 0.2486 0.2569 -0.0347 0.0058 0.0025 504 NAG B O7 6193 C C1 . BMA N . ? 0.3596 0.2397 0.2560 -0.0206 -0.0012 0.0056 505 BMA B C1 6194 C C2 . BMA N . ? 0.3627 0.2419 0.2586 -0.0180 -0.0030 0.0063 505 BMA B C2 6195 C C3 . BMA N . ? 0.3801 0.2467 0.2655 -0.0169 -0.0045 0.0072 505 BMA B C3 6196 C C4 . BMA N . ? 0.3892 0.2485 0.2654 -0.0225 -0.0033 0.0075 505 BMA B C4 6197 C C5 . BMA N . ? 0.3841 0.2458 0.2620 -0.0254 -0.0013 0.0067 505 BMA B C5 6198 C C6 . BMA N . ? 0.3906 0.2466 0.2602 -0.0316 -0.0001 0.0071 505 BMA B C6 6199 O O2 . BMA N . ? 0.3497 0.2333 0.2465 -0.0216 -0.0023 0.0064 505 BMA B O2 6200 O O3 . BMA N . ? 0.3922 0.2569 0.2759 -0.0151 -0.0064 0.0080 505 BMA B O3 6201 O O4 . BMA N . ? 0.4024 0.2492 0.2684 -0.0212 -0.0047 0.0083 505 BMA B O4 6202 O O5 . BMA N . ? 0.3669 0.2411 0.2553 -0.0259 -0.0002 0.0060 505 BMA B O5 6203 O O6 . BMA N . ? 0.3983 0.2534 0.2672 -0.0335 0.0010 0.0066 505 BMA B O6 6204 C C1 . MAN O . ? 0.4019 0.2631 0.2856 -0.0094 -0.0087 0.0084 506 MAN B C1 6205 C C2 . MAN O . ? 0.4092 0.2658 0.2885 -0.0078 -0.0111 0.0095 506 MAN B C2 6206 C C3 . MAN O . ? 0.3980 0.2655 0.2877 -0.0053 -0.0119 0.0092 506 MAN B C3 6207 C C4 . MAN O . ? 0.3914 0.2648 0.2896 -0.0007 -0.0120 0.0085 506 MAN B C4 6208 C C5 . MAN O . ? 0.3903 0.2650 0.2898 -0.0027 -0.0094 0.0076 506 MAN B C5 6209 C C6 . MAN O . ? 0.3865 0.2660 0.2934 0.0017 -0.0092 0.0068 506 MAN B C6 6210 O O2 . MAN O . ? 0.4237 0.2715 0.2978 -0.0035 -0.0132 0.0103 506 MAN B O2 6211 O O3 . MAN O . ? 0.4027 0.2676 0.2898 -0.0035 -0.0145 0.0102 506 MAN B O3 6212 O O4 . MAN O . ? 0.3789 0.2629 0.2866 0.0004 -0.0123 0.0081 506 MAN B O4 6213 O O5 . MAN O . ? 0.4010 0.2649 0.2903 -0.0048 -0.0089 0.0079 506 MAN B O5 6214 O O6 . MAN O . ? 0.3816 0.2644 0.2907 -0.0012 -0.0067 0.0059 506 MAN B O6 6215 C C1 . G39 P . ? 0.3598 0.3667 0.3847 -0.0039 0.0173 -0.0103 507 G39 B C1 6216 O O1A . G39 P . ? 0.3381 0.3412 0.3594 -0.0045 0.0188 -0.0107 507 G39 B O1A 6217 O O1B . G39 P . ? 0.3236 0.3349 0.3526 -0.0036 0.0170 -0.0103 507 G39 B O1B 6218 C C2 . G39 P . ? 0.3708 0.3767 0.3947 -0.0037 0.0159 -0.0097 507 G39 B C2 6219 C C3 . G39 P . ? 0.3709 0.3807 0.3983 -0.0031 0.0144 -0.0093 507 G39 B C3 6220 C C4 . G39 P . ? 0.3797 0.3878 0.4049 -0.0040 0.0130 -0.0087 507 G39 B C4 6221 C C5 . G39 P . ? 0.3804 0.3833 0.4013 -0.0035 0.0137 -0.0087 507 G39 B C5 6222 N N5 . G39 P . ? 0.3676 0.3689 0.3862 -0.0047 0.0125 -0.0081 507 G39 B N5 6223 C C10 . G39 P . ? 0.3543 0.3544 0.3722 -0.0035 0.0119 -0.0077 507 G39 B C10 6224 O O10 . G39 P . ? 0.3354 0.3358 0.3549 -0.0011 0.0121 -0.0078 507 G39 B O10 6225 C C11 . G39 P . ? 0.3522 0.3507 0.3673 -0.0056 0.0108 -0.0072 507 G39 B C11 6226 C C6 . G39 P . ? 0.3940 0.3931 0.4112 -0.0048 0.0149 -0.0091 507 G39 B C6 6227 C C7 . G39 P . ? 0.3836 0.3843 0.4026 -0.0044 0.0162 -0.0097 507 G39 B C7 6228 O O7 . G39 P . ? 0.4149 0.4085 0.4278 -0.0040 0.0160 -0.0093 507 G39 B O7 6229 C C8 . G39 P . ? 0.4367 0.4259 0.4444 -0.0062 0.0154 -0.0090 507 G39 B C8 6230 C C9 . G39 P . ? 0.4440 0.4312 0.4488 -0.0085 0.0159 -0.0093 507 G39 B C9 6231 C C81 . G39 P . ? 0.4529 0.4366 0.4568 -0.0046 0.0162 -0.0091 507 G39 B C81 6232 C C82 . G39 P . ? 0.4488 0.4346 0.4550 -0.0034 0.0149 -0.0085 507 G39 B C82 6233 C C91 . G39 P . ? 0.4490 0.4326 0.4517 -0.0070 0.0182 -0.0101 507 G39 B C91 6234 N N4 . G39 P . ? 0.3811 0.3926 0.4094 -0.0032 0.0117 -0.0083 507 G39 B N4 # 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 GLY 46 127 127 GLY GLY 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 SER 188 269 269 SER SER 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 ILE 194 275 275 ILE ILE 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 SER 250 331 331 SER SER 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 ASN 258 339 339 ASN ASN 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 GLU 288 369 369 GLU GLU A . n A 1 289 SER 289 370 370 SER SER 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 VAL 311 392 392 VAL VAL 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 ASN 319 400 400 ASN ASN A . n A 1 320 ASN 320 401 401 ASN ASN A . n A 1 321 ASN 321 402 402 ASN ASN A . n A 1 322 TRP 322 403 403 TRP TRP 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 PRO 350 431 431 PRO PRO 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 B 1 1 VAL 1 82 82 VAL VAL B . n B 1 2 GLU 2 83 83 GLU GLU B . n B 1 3 TYR 3 84 84 TYR TYR B . n B 1 4 ARG 4 85 85 ARG ARG B . n B 1 5 ASN 5 86 86 ASN ASN B . n B 1 6 TRP 6 87 87 TRP TRP B . n B 1 7 SER 7 88 88 SER SER B . n B 1 8 LYS 8 89 89 LYS LYS B . n B 1 9 PRO 9 90 90 PRO PRO B . n B 1 10 GLN 10 91 91 GLN GLN B . n B 1 11 CYS 11 92 92 CYS CYS B . n B 1 12 GLN 12 93 93 GLN GLN B . n B 1 13 ILE 13 94 94 ILE ILE B . n B 1 14 THR 14 95 95 THR THR B . n B 1 15 GLY 15 96 96 GLY GLY B . n B 1 16 PHE 16 97 97 PHE PHE B . n B 1 17 ALA 17 98 98 ALA ALA B . n B 1 18 PRO 18 99 99 PRO PRO B . n B 1 19 PHE 19 100 100 PHE PHE B . n B 1 20 SER 20 101 101 SER SER B . n B 1 21 LYS 21 102 102 LYS LYS B . n B 1 22 ASP 22 103 103 ASP ASP B . n B 1 23 ASN 23 104 104 ASN ASN B . n B 1 24 SER 24 105 105 SER SER B . n B 1 25 ILE 25 106 106 ILE ILE B . n B 1 26 ARG 26 107 107 ARG ARG B . n B 1 27 LEU 27 108 108 LEU LEU B . n B 1 28 SER 28 109 109 SER SER B . n B 1 29 ALA 29 110 110 ALA ALA B . n B 1 30 GLY 30 111 111 GLY GLY B . n B 1 31 GLY 31 112 112 GLY GLY B . n B 1 32 ASP 32 113 113 ASP ASP B . n B 1 33 ILE 33 114 114 ILE ILE B . n B 1 34 TRP 34 115 115 TRP TRP B . n B 1 35 VAL 35 116 116 VAL VAL B . n B 1 36 THR 36 117 117 THR THR B . n B 1 37 ARG 37 118 118 ARG ARG B . n B 1 38 GLU 38 119 119 GLU GLU B . n B 1 39 PRO 39 120 120 PRO PRO B . n B 1 40 TYR 40 121 121 TYR TYR B . n B 1 41 VAL 41 122 122 VAL VAL B . n B 1 42 SER 42 123 123 SER SER B . n B 1 43 CYS 43 124 124 CYS CYS B . n B 1 44 ASP 44 125 125 ASP ASP B . n B 1 45 PRO 45 126 126 PRO PRO B . n B 1 46 GLY 46 127 127 GLY GLY B . n B 1 47 LYS 47 128 128 LYS LYS B . n B 1 48 CYS 48 129 129 CYS CYS B . n B 1 49 TYR 49 130 130 TYR TYR B . n B 1 50 GLN 50 131 131 GLN GLN B . n B 1 51 PHE 51 132 132 PHE PHE B . n B 1 52 ALA 52 133 133 ALA ALA B . n B 1 53 LEU 53 134 134 LEU LEU B . n B 1 54 GLY 54 135 135 GLY GLY B . n B 1 55 GLN 55 136 136 GLN GLN B . n B 1 56 GLY 56 137 137 GLY GLY B . n B 1 57 THR 57 138 138 THR THR B . n B 1 58 THR 58 139 139 THR THR B . n B 1 59 LEU 59 140 140 LEU LEU B . n B 1 60 ASP 60 141 141 ASP ASP B . n B 1 61 ASN 61 142 142 ASN ASN B . n B 1 62 LYS 62 143 143 LYS LYS B . n B 1 63 HIS 63 144 144 HIS HIS B . n B 1 64 SER 64 145 145 SER SER B . n B 1 65 ASN 65 146 146 ASN ASN B . n B 1 66 ASP 66 147 147 ASP ASP B . n B 1 67 THR 67 148 148 THR THR B . n B 1 68 VAL 68 149 149 VAL VAL B . n B 1 69 HIS 69 150 150 HIS HIS B . n B 1 70 ASP 70 151 151 ASP ASP B . n B 1 71 ARG 71 152 152 ARG ARG B . n B 1 72 ILE 72 153 153 ILE ILE B . n B 1 73 PRO 73 154 154 PRO PRO B . n B 1 74 HIS 74 155 155 HIS HIS B . n B 1 75 ARG 75 156 156 ARG ARG B . n B 1 76 THR 76 157 157 THR THR B . n B 1 77 LEU 77 158 158 LEU LEU B . n B 1 78 LEU 78 159 159 LEU LEU B . n B 1 79 MET 79 160 160 MET MET B . n B 1 80 ASN 80 161 161 ASN ASN B . n B 1 81 GLU 81 162 162 GLU GLU B . n B 1 82 LEU 82 163 163 LEU LEU B . n B 1 83 GLY 83 164 164 GLY GLY B . n B 1 84 VAL 84 165 165 VAL VAL B . n B 1 85 PRO 85 166 166 PRO PRO B . n B 1 86 PHE 86 167 167 PHE PHE B . n B 1 87 HIS 87 168 168 HIS HIS B . n B 1 88 LEU 88 169 169 LEU LEU B . n B 1 89 GLY 89 170 170 GLY GLY B . n B 1 90 THR 90 171 171 THR THR B . n B 1 91 ARG 91 172 172 ARG ARG B . n B 1 92 GLN 92 173 173 GLN GLN B . n B 1 93 VAL 93 174 174 VAL VAL B . n B 1 94 CYS 94 175 175 CYS CYS B . n B 1 95 ILE 95 176 176 ILE ILE B . n B 1 96 ALA 96 177 177 ALA ALA B . n B 1 97 TRP 97 178 178 TRP TRP B . n B 1 98 SER 98 179 179 SER SER B . n B 1 99 SER 99 180 180 SER SER B . n B 1 100 SER 100 181 181 SER SER B . n B 1 101 SER 101 182 182 SER SER B . n B 1 102 CYS 102 183 183 CYS CYS B . n B 1 103 HIS 103 184 184 HIS HIS B . n B 1 104 ASP 104 185 185 ASP ASP B . n B 1 105 GLY 105 186 186 GLY GLY B . n B 1 106 LYS 106 187 187 LYS LYS B . n B 1 107 ALA 107 188 188 ALA ALA B . n B 1 108 TRP 108 189 189 TRP TRP B . n B 1 109 LEU 109 190 190 LEU LEU B . n B 1 110 HIS 110 191 191 HIS HIS B . n B 1 111 VAL 111 192 192 VAL VAL B . n B 1 112 CYS 112 193 193 CYS CYS B . n B 1 113 ILE 113 194 194 ILE ILE B . n B 1 114 THR 114 195 195 THR THR B . n B 1 115 GLY 115 196 196 GLY GLY B . n B 1 116 ASP 116 197 197 ASP ASP B . n B 1 117 ASP 117 198 198 ASP ASP B . n B 1 118 LYS 118 199 199 LYS LYS B . n B 1 119 ASN 119 200 200 ASN ASN B . n B 1 120 ALA 120 201 201 ALA ALA B . n B 1 121 THR 121 202 202 THR THR B . n B 1 122 ALA 122 203 203 ALA ALA B . n B 1 123 SER 123 204 204 SER SER B . n B 1 124 PHE 124 205 205 PHE PHE B . n B 1 125 ILE 125 206 206 ILE ILE B . n B 1 126 TYR 126 207 207 TYR TYR B . n B 1 127 ASP 127 208 208 ASP ASP B . n B 1 128 GLY 128 209 209 GLY GLY B . n B 1 129 ARG 129 210 210 ARG ARG B . n B 1 130 LEU 130 211 211 LEU LEU B . n B 1 131 VAL 131 212 212 VAL VAL B . n B 1 132 ASP 132 213 213 ASP ASP B . n B 1 133 SER 133 214 214 SER SER B . n B 1 134 ILE 134 215 215 ILE ILE B . n B 1 135 GLY 135 216 216 GLY GLY B . n B 1 136 SER 136 217 217 SER SER B . n B 1 137 TRP 137 218 218 TRP TRP B . n B 1 138 SER 138 219 219 SER SER B . n B 1 139 GLN 139 220 220 GLN GLN B . n B 1 140 ASN 140 221 221 ASN ASN B . n B 1 141 ILE 141 222 222 ILE ILE B . n B 1 142 LEU 142 223 223 LEU LEU B . n B 1 143 ARG 143 224 224 ARG ARG B . n B 1 144 THR 144 225 225 THR THR B . n B 1 145 GLN 145 226 226 GLN GLN B . n B 1 146 GLU 146 227 227 GLU GLU B . n B 1 147 SER 147 228 228 SER SER B . n B 1 148 GLU 148 229 229 GLU GLU B . n B 1 149 CYS 149 230 230 CYS CYS B . n B 1 150 VAL 150 231 231 VAL VAL B . n B 1 151 CYS 151 232 232 CYS CYS B . n B 1 152 ILE 152 233 233 ILE ILE B . n B 1 153 ASN 153 234 234 ASN ASN B . n B 1 154 GLY 154 235 235 GLY GLY B . n B 1 155 THR 155 236 236 THR THR B . n B 1 156 CYS 156 237 237 CYS CYS B . n B 1 157 THR 157 238 238 THR THR B . n B 1 158 VAL 158 239 239 VAL VAL B . n B 1 159 VAL 159 240 240 VAL VAL B . n B 1 160 MET 160 241 241 MET MET B . n B 1 161 THR 161 242 242 THR THR B . n B 1 162 ASP 162 243 243 ASP ASP B . n B 1 163 GLY 163 244 244 GLY GLY B . n B 1 164 SER 164 245 245 SER SER B . n B 1 165 ALA 165 246 246 ALA ALA B . n B 1 166 SER 166 247 247 SER SER B . n B 1 167 GLY 167 248 248 GLY GLY B . n B 1 168 ARG 168 249 249 ARG ARG B . n B 1 169 ALA 169 250 250 ALA ALA B . n B 1 170 ASP 170 251 251 ASP ASP B . n B 1 171 THR 171 252 252 THR THR B . n B 1 172 ARG 172 253 253 ARG ARG B . n B 1 173 ILE 173 254 254 ILE ILE B . n B 1 174 LEU 174 255 255 LEU LEU B . n B 1 175 PHE 175 256 256 PHE PHE B . n B 1 176 ILE 176 257 257 ILE ILE B . n B 1 177 GLU 177 258 258 GLU GLU B . n B 1 178 GLU 178 259 259 GLU GLU B . n B 1 179 GLY 179 260 260 GLY GLY B . n B 1 180 LYS 180 261 261 LYS LYS B . n B 1 181 ILE 181 262 262 ILE ILE B . n B 1 182 VAL 182 263 263 VAL VAL B . n B 1 183 HIS 183 264 264 HIS HIS B . n B 1 184 ILE 184 265 265 ILE ILE B . n B 1 185 SER 185 266 266 SER SER B . n B 1 186 PRO 186 267 267 PRO PRO B . n B 1 187 LEU 187 268 268 LEU LEU B . n B 1 188 SER 188 269 269 SER SER B . n B 1 189 GLY 189 270 270 GLY GLY B . n B 1 190 SER 190 271 271 SER SER B . n B 1 191 ALA 191 272 272 ALA ALA B . n B 1 192 GLN 192 273 273 GLN GLN B . n B 1 193 HIS 193 274 274 HIS HIS B . n B 1 194 ILE 194 275 275 ILE ILE B . n B 1 195 GLU 195 276 276 GLU GLU B . n B 1 196 GLU 196 277 277 GLU GLU B . n B 1 197 CYS 197 278 278 CYS CYS B . n B 1 198 SER 198 279 279 SER SER B . n B 1 199 CYS 199 280 280 CYS CYS B . n B 1 200 TYR 200 281 281 TYR TYR B . n B 1 201 PRO 201 282 282 PRO PRO B . n B 1 202 ARG 202 283 283 ARG ARG B . n B 1 203 TYR 203 284 284 TYR TYR B . n B 1 204 PRO 204 285 285 PRO PRO B . n B 1 205 GLY 205 286 286 GLY GLY B . n B 1 206 VAL 206 287 287 VAL VAL B . n B 1 207 ARG 207 288 288 ARG ARG B . n B 1 208 CYS 208 289 289 CYS CYS B . n B 1 209 ILE 209 290 290 ILE ILE B . n B 1 210 CYS 210 291 291 CYS CYS B . n B 1 211 ARG 211 292 292 ARG ARG B . n B 1 212 ASP 212 293 293 ASP ASP B . n B 1 213 ASN 213 294 294 ASN ASN B . n B 1 214 TRP 214 295 295 TRP TRP B . n B 1 215 LYS 215 296 296 LYS LYS B . n B 1 216 GLY 216 297 297 GLY GLY B . n B 1 217 SER 217 298 298 SER SER B . n B 1 218 ASN 218 299 299 ASN ASN B . n B 1 219 ARG 219 300 300 ARG ARG B . n B 1 220 PRO 220 301 301 PRO PRO B . n B 1 221 VAL 221 302 302 VAL VAL B . n B 1 222 VAL 222 303 303 VAL VAL B . n B 1 223 ASP 223 304 304 ASP ASP B . n B 1 224 ILE 224 305 305 ILE ILE B . n B 1 225 ASN 225 306 306 ASN ASN B . n B 1 226 MET 226 307 307 MET MET B . n B 1 227 GLU 227 308 308 GLU GLU B . n B 1 228 ASP 228 309 309 ASP ASP B . n B 1 229 TYR 229 310 310 TYR TYR B . n B 1 230 SER 230 311 311 SER SER B . n B 1 231 ILE 231 312 312 ILE ILE B . n B 1 232 ASP 232 313 313 ASP ASP B . n B 1 233 SER 233 314 314 SER SER B . n B 1 234 SER 234 315 315 SER SER B . n B 1 235 TYR 235 316 316 TYR TYR B . n B 1 236 VAL 236 317 317 VAL VAL B . n B 1 237 CYS 237 318 318 CYS CYS B . n B 1 238 SER 238 319 319 SER SER B . n B 1 239 GLY 239 320 320 GLY GLY B . n B 1 240 LEU 240 321 321 LEU LEU B . n B 1 241 VAL 241 322 322 VAL VAL B . n B 1 242 GLY 242 323 323 GLY GLY B . n B 1 243 ASP 243 324 324 ASP ASP B . n B 1 244 THR 244 325 325 THR THR B . n B 1 245 PRO 245 326 326 PRO PRO B . n B 1 246 ARG 246 327 327 ARG ARG B . n B 1 247 ASN 247 328 328 ASN ASN B . n B 1 248 ASP 248 329 329 ASP ASP B . n B 1 249 ASP 249 330 330 ASP ASP B . n B 1 250 SER 250 331 331 SER SER B . n B 1 251 SER 251 332 332 SER SER B . n B 1 252 SER 252 333 333 SER SER B . n B 1 253 ASN 253 334 334 ASN ASN B . n B 1 254 SER 254 335 335 SER SER B . n B 1 255 ASN 255 336 336 ASN ASN B . n B 1 256 CYS 256 337 337 CYS CYS B . n B 1 257 ARG 257 338 338 ARG ARG B . n B 1 258 ASN 258 339 339 ASN ASN B . n B 1 259 PRO 259 340 340 PRO PRO B . n B 1 260 ASN 260 341 341 ASN ASN B . n B 1 261 ASN 261 342 342 ASN ASN B . n B 1 262 GLU 262 343 343 GLU GLU B . n B 1 263 ARG 263 344 344 ARG ARG B . n B 1 264 GLY 264 345 345 GLY GLY B . n B 1 265 THR 265 346 346 THR THR B . n B 1 266 GLN 266 347 347 GLN GLN B . n B 1 267 GLY 267 348 348 GLY GLY B . n B 1 268 VAL 268 349 349 VAL VAL B . n B 1 269 LYS 269 350 350 LYS LYS B . n B 1 270 GLY 270 351 351 GLY GLY B . n B 1 271 TRP 271 352 352 TRP TRP B . n B 1 272 ALA 272 353 353 ALA ALA B . n B 1 273 PHE 273 354 354 PHE PHE B . n B 1 274 ASP 274 355 355 ASP ASP B . n B 1 275 ASN 275 356 356 ASN ASN B . n B 1 276 GLY 276 357 357 GLY GLY B . n B 1 277 ASN 277 358 358 ASN ASN B . n B 1 278 ASP 278 359 359 ASP ASP B . n B 1 279 LEU 279 360 360 LEU LEU B . n B 1 280 TRP 280 361 361 TRP TRP B . n B 1 281 MET 281 362 362 MET MET B . n B 1 282 GLY 282 363 363 GLY GLY B . n B 1 283 ARG 283 364 364 ARG ARG B . n B 1 284 THR 284 365 365 THR THR B . n B 1 285 ILE 285 366 366 ILE ILE B . n B 1 286 SER 286 367 367 SER SER B . n B 1 287 LYS 287 368 368 LYS LYS B . n B 1 288 GLU 288 369 369 GLU GLU B . n B 1 289 SER 289 370 370 SER SER B . n B 1 290 ARG 290 371 371 ARG ARG B . n B 1 291 SER 291 372 372 SER SER B . n B 1 292 GLY 292 373 373 GLY GLY B . n B 1 293 TYR 293 374 374 TYR TYR B . n B 1 294 GLU 294 375 375 GLU GLU B . n B 1 295 THR 295 376 376 THR THR B . n B 1 296 PHE 296 377 377 PHE PHE B . n B 1 297 LYS 297 378 378 LYS LYS B . n B 1 298 VAL 298 379 379 VAL VAL B . n B 1 299 ILE 299 380 380 ILE ILE B . n B 1 300 GLY 300 381 381 GLY GLY B . n B 1 301 GLY 301 382 382 GLY GLY B . n B 1 302 TRP 302 383 383 TRP TRP B . n B 1 303 SER 303 384 384 SER SER B . n B 1 304 THR 304 385 385 THR THR B . n B 1 305 PRO 305 386 386 PRO PRO B . n B 1 306 ASN 306 387 387 ASN ASN B . n B 1 307 SER 307 388 388 SER SER B . n B 1 308 LYS 308 389 389 LYS LYS B . n B 1 309 SER 309 390 390 SER SER B . n B 1 310 GLN 310 391 391 GLN GLN B . n B 1 311 VAL 311 392 392 VAL VAL B . n B 1 312 ASN 312 393 393 ASN ASN B . n B 1 313 ARG 313 394 394 ARG ARG B . n B 1 314 GLN 314 395 395 GLN GLN B . n B 1 315 VAL 315 396 396 VAL VAL B . n B 1 316 ILE 316 397 397 ILE ILE B . n B 1 317 VAL 317 398 398 VAL VAL B . n B 1 318 ASP 318 399 399 ASP ASP B . n B 1 319 ASN 319 400 400 ASN ASN B . n B 1 320 ASN 320 401 401 ASN ASN B . n B 1 321 ASN 321 402 402 ASN ASN B . n B 1 322 TRP 322 403 403 TRP TRP B . n B 1 323 SER 323 404 404 SER SER B . n B 1 324 GLY 324 405 405 GLY GLY B . n B 1 325 TYR 325 406 406 TYR TYR B . n B 1 326 SER 326 407 407 SER SER B . n B 1 327 GLY 327 408 408 GLY GLY B . n B 1 328 ILE 328 409 409 ILE ILE B . n B 1 329 PHE 329 410 410 PHE PHE B . n B 1 330 SER 330 411 411 SER SER B . n B 1 331 VAL 331 412 412 VAL VAL B . n B 1 332 GLU 332 413 413 GLU GLU B . n B 1 333 GLY 333 414 414 GLY GLY B . n B 1 334 LYS 334 415 415 LYS LYS B . n B 1 335 SER 335 416 416 SER SER B . n B 1 336 CYS 336 417 417 CYS CYS B . n B 1 337 ILE 337 418 418 ILE ILE B . n B 1 338 ASN 338 419 419 ASN ASN B . n B 1 339 ARG 339 420 420 ARG ARG B . n B 1 340 CYS 340 421 421 CYS CYS B . n B 1 341 PHE 341 422 422 PHE PHE B . n B 1 342 TYR 342 423 423 TYR TYR B . n B 1 343 VAL 343 424 424 VAL VAL B . n B 1 344 GLU 344 425 425 GLU GLU B . n B 1 345 LEU 345 426 426 LEU LEU B . n B 1 346 ILE 346 427 427 ILE ILE B . n B 1 347 ARG 347 428 428 ARG ARG B . n B 1 348 GLY 348 429 429 GLY GLY B . n B 1 349 ARG 349 430 430 ARG ARG B . n B 1 350 PRO 350 431 431 PRO PRO B . n B 1 351 GLN 351 432 432 GLN GLN B . n B 1 352 GLU 352 433 433 GLU GLU B . n B 1 353 THR 353 434 434 THR THR B . n B 1 354 ARG 354 435 435 ARG ARG B . n B 1 355 VAL 355 436 436 VAL VAL B . n B 1 356 TRP 356 437 437 TRP TRP B . n B 1 357 TRP 357 438 438 TRP TRP B . n B 1 358 THR 358 439 439 THR THR B . n B 1 359 SER 359 440 440 SER SER B . n B 1 360 ASN 360 441 441 ASN ASN B . n B 1 361 SER 361 442 442 SER SER B . n B 1 362 ILE 362 443 443 ILE ILE B . n B 1 363 VAL 363 444 444 VAL VAL B . n B 1 364 VAL 364 445 445 VAL VAL B . n B 1 365 PHE 365 446 446 PHE PHE B . n B 1 366 CYS 366 447 447 CYS CYS B . n B 1 367 GLY 367 448 448 GLY GLY B . n B 1 368 THR 368 449 449 THR THR B . n B 1 369 SER 369 450 450 SER SER B . n B 1 370 GLY 370 451 451 GLY GLY B . n B 1 371 THR 371 452 452 THR THR B . n B 1 372 TYR 372 453 453 TYR TYR B . n B 1 373 GLY 373 454 454 GLY GLY B . n B 1 374 THR 374 455 455 THR THR B . n B 1 375 GLY 375 456 456 GLY GLY B . n B 1 376 SER 376 457 457 SER SER B . n B 1 377 TRP 377 458 458 TRP TRP B . n B 1 378 PRO 378 459 459 PRO PRO B . n B 1 379 ASP 379 460 460 ASP ASP B . n B 1 380 GLY 380 461 461 GLY GLY B . n B 1 381 ALA 381 462 462 ALA ALA B . n B 1 382 ASN 382 463 463 ASN ASN B . n B 1 383 ILE 383 464 464 ILE ILE B . n B 1 384 ASN 384 465 465 ASN ASN B . n B 1 385 PHE 385 466 466 PHE PHE B . n B 1 386 MET 386 467 467 MET MET B . n B 1 387 PRO 387 468 468 PRO PRO B . n B 1 388 ILE 388 469 469 ILE ILE B . 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 C 2 CA 1 501 501 CA CA A . D 3 NAG 1 502 601 NAG NAG A . E 3 NAG 1 503 603 NAG NAG A . F 3 NAG 2 504 604 NAG NAG A . G 4 BMA 3 505 605 BMA MAN A . H 5 MAN 4 506 606 MAN MAN A . I 6 G39 1 507 900 G39 G39 A . J 2 CA 1 501 501 CA CA B . K 3 NAG 1 502 601 NAG NAG B . L 3 NAG 1 503 603 NAG NAG B . M 3 NAG 2 504 604 NAG NAG B . N 4 BMA 3 505 605 BMA MAN B . O 5 MAN 4 506 606 MAN MAN B . P 6 G39 1 507 900 G39 G39 B . Q 7 HOH 1 601 2 HOH HOH A . Q 7 HOH 2 602 4 HOH HOH A . Q 7 HOH 3 603 6 HOH HOH A . Q 7 HOH 4 604 10 HOH HOH A . Q 7 HOH 5 605 12 HOH HOH A . Q 7 HOH 6 606 14 HOH HOH A . Q 7 HOH 7 607 15 HOH HOH A . Q 7 HOH 8 608 17 HOH HOH A . Q 7 HOH 9 609 19 HOH HOH A . Q 7 HOH 10 610 22 HOH HOH A . Q 7 HOH 11 611 25 HOH HOH A . Q 7 HOH 12 612 26 HOH HOH A . Q 7 HOH 13 613 28 HOH HOH A . Q 7 HOH 14 614 29 HOH HOH A . Q 7 HOH 15 615 31 HOH HOH A . Q 7 HOH 16 616 35 HOH HOH A . Q 7 HOH 17 617 36 HOH HOH A . Q 7 HOH 18 618 38 HOH HOH A . Q 7 HOH 19 619 39 HOH HOH A . Q 7 HOH 20 620 43 HOH HOH A . Q 7 HOH 21 621 46 HOH HOH A . Q 7 HOH 22 622 48 HOH HOH A . Q 7 HOH 23 623 50 HOH HOH A . Q 7 HOH 24 624 51 HOH HOH A . Q 7 HOH 25 625 52 HOH HOH A . Q 7 HOH 26 626 53 HOH HOH A . Q 7 HOH 27 627 55 HOH HOH A . Q 7 HOH 28 628 56 HOH HOH A . Q 7 HOH 29 629 58 HOH HOH A . Q 7 HOH 30 630 62 HOH HOH A . Q 7 HOH 31 631 65 HOH HOH A . Q 7 HOH 32 632 66 HOH HOH A . Q 7 HOH 33 633 67 HOH HOH A . Q 7 HOH 34 634 69 HOH HOH A . Q 7 HOH 35 635 73 HOH HOH A . Q 7 HOH 36 636 75 HOH HOH A . Q 7 HOH 37 637 77 HOH HOH A . Q 7 HOH 38 638 79 HOH HOH A . Q 7 HOH 39 639 80 HOH HOH A . Q 7 HOH 40 640 83 HOH HOH A . Q 7 HOH 41 641 84 HOH HOH A . Q 7 HOH 42 642 85 HOH HOH A . Q 7 HOH 43 643 87 HOH HOH A . Q 7 HOH 44 644 88 HOH HOH A . Q 7 HOH 45 645 89 HOH HOH A . Q 7 HOH 46 646 92 HOH HOH A . Q 7 HOH 47 647 97 HOH HOH A . Q 7 HOH 48 648 98 HOH HOH A . Q 7 HOH 49 649 100 HOH HOH A . Q 7 HOH 50 650 102 HOH HOH A . Q 7 HOH 51 651 103 HOH HOH A . Q 7 HOH 52 652 105 HOH HOH A . Q 7 HOH 53 653 106 HOH HOH A . Q 7 HOH 54 654 108 HOH HOH A . Q 7 HOH 55 655 109 HOH HOH A . Q 7 HOH 56 656 110 HOH HOH A . Q 7 HOH 57 657 111 HOH HOH A . Q 7 HOH 58 658 113 HOH HOH A . Q 7 HOH 59 659 115 HOH HOH A . Q 7 HOH 60 660 116 HOH HOH A . Q 7 HOH 61 661 117 HOH HOH A . Q 7 HOH 62 662 118 HOH HOH A . Q 7 HOH 63 663 120 HOH HOH A . Q 7 HOH 64 664 123 HOH HOH A . Q 7 HOH 65 665 126 HOH HOH A . Q 7 HOH 66 666 128 HOH HOH A . Q 7 HOH 67 667 130 HOH HOH A . Q 7 HOH 68 668 132 HOH HOH A . Q 7 HOH 69 669 133 HOH HOH A . Q 7 HOH 70 670 134 HOH HOH A . Q 7 HOH 71 671 136 HOH HOH A . Q 7 HOH 72 672 137 HOH HOH A . Q 7 HOH 73 673 140 HOH HOH A . Q 7 HOH 74 674 142 HOH HOH A . Q 7 HOH 75 675 143 HOH HOH A . Q 7 HOH 76 676 145 HOH HOH A . Q 7 HOH 77 677 148 HOH HOH A . Q 7 HOH 78 678 149 HOH HOH A . Q 7 HOH 79 679 157 HOH HOH A . Q 7 HOH 80 680 169 HOH HOH A . Q 7 HOH 81 681 170 HOH HOH A . Q 7 HOH 82 682 171 HOH HOH A . Q 7 HOH 83 683 172 HOH HOH A . Q 7 HOH 84 684 173 HOH HOH A . Q 7 HOH 85 685 175 HOH HOH A . Q 7 HOH 86 686 176 HOH HOH A . Q 7 HOH 87 687 177 HOH HOH A . Q 7 HOH 88 688 180 HOH HOH A . Q 7 HOH 89 689 182 HOH HOH A . Q 7 HOH 90 690 183 HOH HOH A . Q 7 HOH 91 691 184 HOH HOH A . Q 7 HOH 92 692 185 HOH HOH A . Q 7 HOH 93 693 186 HOH HOH A . Q 7 HOH 94 694 188 HOH HOH A . Q 7 HOH 95 695 191 HOH HOH A . Q 7 HOH 96 696 192 HOH HOH A . Q 7 HOH 97 697 193 HOH HOH A . Q 7 HOH 98 698 194 HOH HOH A . Q 7 HOH 99 699 199 HOH HOH A . Q 7 HOH 100 700 201 HOH HOH A . Q 7 HOH 101 701 205 HOH HOH A . Q 7 HOH 102 702 207 HOH HOH A . Q 7 HOH 103 703 210 HOH HOH A . Q 7 HOH 104 704 212 HOH HOH A . Q 7 HOH 105 705 215 HOH HOH A . Q 7 HOH 106 706 216 HOH HOH A . Q 7 HOH 107 707 219 HOH HOH A . Q 7 HOH 108 708 220 HOH HOH A . Q 7 HOH 109 709 222 HOH HOH A . Q 7 HOH 110 710 225 HOH HOH A . Q 7 HOH 111 711 228 HOH HOH A . Q 7 HOH 112 712 229 HOH HOH A . Q 7 HOH 113 713 232 HOH HOH A . Q 7 HOH 114 714 233 HOH HOH A . Q 7 HOH 115 715 235 HOH HOH A . Q 7 HOH 116 716 236 HOH HOH A . Q 7 HOH 117 717 241 HOH HOH A . Q 7 HOH 118 718 242 HOH HOH A . Q 7 HOH 119 719 243 HOH HOH A . Q 7 HOH 120 720 244 HOH HOH A . Q 7 HOH 121 721 251 HOH HOH A . Q 7 HOH 122 722 252 HOH HOH A . Q 7 HOH 123 723 254 HOH HOH A . Q 7 HOH 124 724 255 HOH HOH A . Q 7 HOH 125 725 258 HOH HOH A . Q 7 HOH 126 726 260 HOH HOH A . Q 7 HOH 127 727 261 HOH HOH A . Q 7 HOH 128 728 262 HOH HOH A . Q 7 HOH 129 729 263 HOH HOH A . Q 7 HOH 130 730 264 HOH HOH A . Q 7 HOH 131 731 265 HOH HOH A . Q 7 HOH 132 732 267 HOH HOH A . Q 7 HOH 133 733 268 HOH HOH A . Q 7 HOH 134 734 269 HOH HOH A . Q 7 HOH 135 735 271 HOH HOH A . Q 7 HOH 136 736 279 HOH HOH A . Q 7 HOH 137 737 280 HOH HOH A . Q 7 HOH 138 738 281 HOH HOH A . Q 7 HOH 139 739 282 HOH HOH A . Q 7 HOH 140 740 283 HOH HOH A . Q 7 HOH 141 741 284 HOH HOH A . Q 7 HOH 142 742 285 HOH HOH A . Q 7 HOH 143 743 288 HOH HOH A . Q 7 HOH 144 744 289 HOH HOH A . Q 7 HOH 145 745 290 HOH HOH A . Q 7 HOH 146 746 292 HOH HOH A . Q 7 HOH 147 747 293 HOH HOH A . Q 7 HOH 148 748 294 HOH HOH A . Q 7 HOH 149 749 295 HOH HOH A . Q 7 HOH 150 750 297 HOH HOH A . Q 7 HOH 151 751 299 HOH HOH A . Q 7 HOH 152 752 302 HOH HOH A . Q 7 HOH 153 753 303 HOH HOH A . Q 7 HOH 154 754 304 HOH HOH A . Q 7 HOH 155 755 305 HOH HOH A . Q 7 HOH 156 756 306 HOH HOH A . Q 7 HOH 157 757 308 HOH HOH A . Q 7 HOH 158 758 311 HOH HOH A . Q 7 HOH 159 759 313 HOH HOH A . Q 7 HOH 160 760 315 HOH HOH A . Q 7 HOH 161 761 318 HOH HOH A . Q 7 HOH 162 762 319 HOH HOH A . Q 7 HOH 163 763 322 HOH HOH A . Q 7 HOH 164 764 324 HOH HOH A . Q 7 HOH 165 765 327 HOH HOH A . Q 7 HOH 166 766 330 HOH HOH A . Q 7 HOH 167 767 332 HOH HOH A . Q 7 HOH 168 768 334 HOH HOH A . Q 7 HOH 169 769 337 HOH HOH A . Q 7 HOH 170 770 340 HOH HOH A . Q 7 HOH 171 771 344 HOH HOH A . Q 7 HOH 172 772 345 HOH HOH A . Q 7 HOH 173 773 346 HOH HOH A . Q 7 HOH 174 774 347 HOH HOH A . Q 7 HOH 175 775 349 HOH HOH A . Q 7 HOH 176 776 354 HOH HOH A . Q 7 HOH 177 777 356 HOH HOH A . Q 7 HOH 178 778 359 HOH HOH A . Q 7 HOH 179 779 361 HOH HOH A . Q 7 HOH 180 780 366 HOH HOH A . Q 7 HOH 181 781 367 HOH HOH A . Q 7 HOH 182 782 369 HOH HOH A . Q 7 HOH 183 783 370 HOH HOH A . Q 7 HOH 184 784 371 HOH HOH A . Q 7 HOH 185 785 373 HOH HOH A . Q 7 HOH 186 786 376 HOH HOH A . Q 7 HOH 187 787 377 HOH HOH A . Q 7 HOH 188 788 379 HOH HOH A . Q 7 HOH 189 789 381 HOH HOH A . Q 7 HOH 190 790 382 HOH HOH A . Q 7 HOH 191 791 383 HOH HOH A . Q 7 HOH 192 792 384 HOH HOH A . Q 7 HOH 193 793 388 HOH HOH A . Q 7 HOH 194 794 390 HOH HOH A . Q 7 HOH 195 795 391 HOH HOH A . Q 7 HOH 196 796 393 HOH HOH A . Q 7 HOH 197 797 394 HOH HOH A . Q 7 HOH 198 798 395 HOH HOH A . Q 7 HOH 199 799 398 HOH HOH A . Q 7 HOH 200 800 400 HOH HOH A . Q 7 HOH 201 801 403 HOH HOH A . Q 7 HOH 202 802 404 HOH HOH A . Q 7 HOH 203 803 409 HOH HOH A . Q 7 HOH 204 804 413 HOH HOH A . Q 7 HOH 205 805 414 HOH HOH A . Q 7 HOH 206 806 417 HOH HOH A . Q 7 HOH 207 807 423 HOH HOH A . Q 7 HOH 208 808 425 HOH HOH A . Q 7 HOH 209 809 426 HOH HOH A . Q 7 HOH 210 810 429 HOH HOH A . Q 7 HOH 211 811 434 HOH HOH A . Q 7 HOH 212 812 436 HOH HOH A . Q 7 HOH 213 813 437 HOH HOH A . Q 7 HOH 214 814 438 HOH HOH A . Q 7 HOH 215 815 440 HOH HOH A . Q 7 HOH 216 816 441 HOH HOH A . Q 7 HOH 217 817 445 HOH HOH A . Q 7 HOH 218 818 447 HOH HOH A . Q 7 HOH 219 819 448 HOH HOH A . Q 7 HOH 220 820 449 HOH HOH A . Q 7 HOH 221 821 450 HOH HOH A . Q 7 HOH 222 822 453 HOH HOH A . Q 7 HOH 223 823 454 HOH HOH A . Q 7 HOH 224 824 457 HOH HOH A . Q 7 HOH 225 825 460 HOH HOH A . Q 7 HOH 226 826 461 HOH HOH A . Q 7 HOH 227 827 462 HOH HOH A . Q 7 HOH 228 828 463 HOH HOH A . Q 7 HOH 229 829 466 HOH HOH A . Q 7 HOH 230 830 468 HOH HOH A . Q 7 HOH 231 831 472 HOH HOH A . Q 7 HOH 232 832 473 HOH HOH A . Q 7 HOH 233 833 475 HOH HOH A . Q 7 HOH 234 834 476 HOH HOH A . Q 7 HOH 235 835 477 HOH HOH A . Q 7 HOH 236 836 480 HOH HOH A . Q 7 HOH 237 837 481 HOH HOH A . Q 7 HOH 238 838 484 HOH HOH A . Q 7 HOH 239 839 485 HOH HOH A . Q 7 HOH 240 840 490 HOH HOH A . Q 7 HOH 241 841 493 HOH HOH A . Q 7 HOH 242 842 495 HOH HOH A . Q 7 HOH 243 843 496 HOH HOH A . Q 7 HOH 244 844 498 HOH HOH A . Q 7 HOH 245 845 500 HOH HOH A . Q 7 HOH 246 846 503 HOH HOH A . Q 7 HOH 247 847 505 HOH HOH A . Q 7 HOH 248 848 507 HOH HOH A . Q 7 HOH 249 849 509 HOH HOH A . Q 7 HOH 250 850 511 HOH HOH A . Q 7 HOH 251 851 513 HOH HOH A . Q 7 HOH 252 852 515 HOH HOH A . Q 7 HOH 253 853 517 HOH HOH A . Q 7 HOH 254 854 518 HOH HOH A . Q 7 HOH 255 855 519 HOH HOH A . Q 7 HOH 256 856 521 HOH HOH A . Q 7 HOH 257 857 522 HOH HOH A . Q 7 HOH 258 858 528 HOH HOH A . Q 7 HOH 259 859 529 HOH HOH A . Q 7 HOH 260 860 532 HOH HOH A . Q 7 HOH 261 861 536 HOH HOH A . Q 7 HOH 262 862 537 HOH HOH A . Q 7 HOH 263 863 538 HOH HOH A . Q 7 HOH 264 864 539 HOH HOH A . Q 7 HOH 265 865 540 HOH HOH A . Q 7 HOH 266 866 541 HOH HOH A . Q 7 HOH 267 867 543 HOH HOH A . Q 7 HOH 268 868 544 HOH HOH A . Q 7 HOH 269 869 545 HOH HOH A . Q 7 HOH 270 870 549 HOH HOH A . Q 7 HOH 271 871 551 HOH HOH A . Q 7 HOH 272 872 553 HOH HOH A . Q 7 HOH 273 873 554 HOH HOH A . Q 7 HOH 274 874 555 HOH HOH A . Q 7 HOH 275 875 556 HOH HOH A . Q 7 HOH 276 876 557 HOH HOH A . Q 7 HOH 277 877 558 HOH HOH A . Q 7 HOH 278 878 560 HOH HOH A . Q 7 HOH 279 879 561 HOH HOH A . Q 7 HOH 280 880 562 HOH HOH A . Q 7 HOH 281 881 563 HOH HOH A . Q 7 HOH 282 882 567 HOH HOH A . Q 7 HOH 283 883 570 HOH HOH A . Q 7 HOH 284 884 572 HOH HOH A . Q 7 HOH 285 885 573 HOH HOH A . Q 7 HOH 286 886 574 HOH HOH A . Q 7 HOH 287 887 576 HOH HOH A . Q 7 HOH 288 888 577 HOH HOH A . Q 7 HOH 289 889 578 HOH HOH A . Q 7 HOH 290 890 581 HOH HOH A . Q 7 HOH 291 891 582 HOH HOH A . Q 7 HOH 292 892 584 HOH HOH A . Q 7 HOH 293 893 588 HOH HOH A . Q 7 HOH 294 894 593 HOH HOH A . Q 7 HOH 295 895 594 HOH HOH A . Q 7 HOH 296 896 595 HOH HOH A . Q 7 HOH 297 897 597 HOH HOH A . Q 7 HOH 298 898 601 HOH HOH A . Q 7 HOH 299 899 602 HOH HOH A . Q 7 HOH 300 900 607 HOH HOH A . Q 7 HOH 301 901 609 HOH HOH A . Q 7 HOH 302 902 610 HOH HOH A . Q 7 HOH 303 903 611 HOH HOH A . Q 7 HOH 304 904 616 HOH HOH A . Q 7 HOH 305 905 618 HOH HOH A . Q 7 HOH 306 906 624 HOH HOH A . Q 7 HOH 307 907 625 HOH HOH A . Q 7 HOH 308 908 626 HOH HOH A . Q 7 HOH 309 909 628 HOH HOH A . Q 7 HOH 310 910 633 HOH HOH A . Q 7 HOH 311 911 635 HOH HOH A . Q 7 HOH 312 912 637 HOH HOH A . Q 7 HOH 313 913 640 HOH HOH A . Q 7 HOH 314 914 642 HOH HOH A . Q 7 HOH 315 915 643 HOH HOH A . Q 7 HOH 316 916 644 HOH HOH A . Q 7 HOH 317 917 647 HOH HOH A . Q 7 HOH 318 918 649 HOH HOH A . Q 7 HOH 319 919 651 HOH HOH A . Q 7 HOH 320 920 652 HOH HOH A . Q 7 HOH 321 921 654 HOH HOH A . Q 7 HOH 322 922 660 HOH HOH A . Q 7 HOH 323 923 661 HOH HOH A . Q 7 HOH 324 924 664 HOH HOH A . Q 7 HOH 325 925 666 HOH HOH A . Q 7 HOH 326 926 667 HOH HOH A . Q 7 HOH 327 927 671 HOH HOH A . Q 7 HOH 328 928 672 HOH HOH A . Q 7 HOH 329 929 676 HOH HOH A . Q 7 HOH 330 930 677 HOH HOH A . Q 7 HOH 331 931 683 HOH HOH A . Q 7 HOH 332 932 684 HOH HOH A . Q 7 HOH 333 933 685 HOH HOH A . Q 7 HOH 334 934 687 HOH HOH A . Q 7 HOH 335 935 688 HOH HOH A . Q 7 HOH 336 936 693 HOH HOH A . Q 7 HOH 337 937 694 HOH HOH A . Q 7 HOH 338 938 698 HOH HOH A . Q 7 HOH 339 939 699 HOH HOH A . Q 7 HOH 340 940 702 HOH HOH A . Q 7 HOH 341 941 703 HOH HOH A . Q 7 HOH 342 942 704 HOH HOH A . Q 7 HOH 343 943 706 HOH HOH A . Q 7 HOH 344 944 710 HOH HOH A . Q 7 HOH 345 945 711 HOH HOH A . Q 7 HOH 346 946 712 HOH HOH A . Q 7 HOH 347 947 713 HOH HOH A . Q 7 HOH 348 948 715 HOH HOH A . Q 7 HOH 349 949 717 HOH HOH A . Q 7 HOH 350 950 719 HOH HOH A . Q 7 HOH 351 951 720 HOH HOH A . Q 7 HOH 352 952 721 HOH HOH A . Q 7 HOH 353 953 722 HOH HOH A . Q 7 HOH 354 954 723 HOH HOH A . Q 7 HOH 355 955 724 HOH HOH A . Q 7 HOH 356 956 731 HOH HOH A . Q 7 HOH 357 957 734 HOH HOH A . Q 7 HOH 358 958 735 HOH HOH A . Q 7 HOH 359 959 737 HOH HOH A . Q 7 HOH 360 960 738 HOH HOH A . Q 7 HOH 361 961 746 HOH HOH A . Q 7 HOH 362 962 752 HOH HOH A . Q 7 HOH 363 963 756 HOH HOH A . Q 7 HOH 364 964 757 HOH HOH A . Q 7 HOH 365 965 758 HOH HOH A . Q 7 HOH 366 966 759 HOH HOH A . Q 7 HOH 367 967 764 HOH HOH A . Q 7 HOH 368 968 765 HOH HOH A . Q 7 HOH 369 969 766 HOH HOH A . Q 7 HOH 370 970 767 HOH HOH A . Q 7 HOH 371 971 770 HOH HOH A . Q 7 HOH 372 972 771 HOH HOH A . Q 7 HOH 373 973 773 HOH HOH A . Q 7 HOH 374 974 775 HOH HOH A . Q 7 HOH 375 975 776 HOH HOH A . Q 7 HOH 376 976 777 HOH HOH A . Q 7 HOH 377 977 778 HOH HOH A . Q 7 HOH 378 978 780 HOH HOH A . Q 7 HOH 379 979 781 HOH HOH A . Q 7 HOH 380 980 784 HOH HOH A . Q 7 HOH 381 981 786 HOH HOH A . Q 7 HOH 382 982 787 HOH HOH A . Q 7 HOH 383 983 789 HOH HOH A . Q 7 HOH 384 984 792 HOH HOH A . Q 7 HOH 385 985 793 HOH HOH A . Q 7 HOH 386 986 794 HOH HOH A . Q 7 HOH 387 987 796 HOH HOH A . Q 7 HOH 388 988 799 HOH HOH A . Q 7 HOH 389 989 801 HOH HOH A . Q 7 HOH 390 990 802 HOH HOH A . Q 7 HOH 391 991 803 HOH HOH A . Q 7 HOH 392 992 805 HOH HOH A . Q 7 HOH 393 993 806 HOH HOH A . Q 7 HOH 394 994 807 HOH HOH A . Q 7 HOH 395 995 810 HOH HOH A . Q 7 HOH 396 996 815 HOH HOH A . Q 7 HOH 397 997 816 HOH HOH A . Q 7 HOH 398 998 817 HOH HOH A . Q 7 HOH 399 999 821 HOH HOH A . Q 7 HOH 400 1000 823 HOH HOH A . Q 7 HOH 401 1001 824 HOH HOH A . Q 7 HOH 402 1002 825 HOH HOH A . Q 7 HOH 403 1003 826 HOH HOH A . Q 7 HOH 404 1004 827 HOH HOH A . Q 7 HOH 405 1005 839 HOH HOH A . Q 7 HOH 406 1006 841 HOH HOH A . Q 7 HOH 407 1007 845 HOH HOH A . Q 7 HOH 408 1008 846 HOH HOH A . Q 7 HOH 409 1009 848 HOH HOH A . Q 7 HOH 410 1010 850 HOH HOH A . Q 7 HOH 411 1011 854 HOH HOH A . Q 7 HOH 412 1012 855 HOH HOH A . Q 7 HOH 413 1013 857 HOH HOH A . Q 7 HOH 414 1014 858 HOH HOH A . Q 7 HOH 415 1015 860 HOH HOH A . Q 7 HOH 416 1016 861 HOH HOH A . Q 7 HOH 417 1017 863 HOH HOH A . Q 7 HOH 418 1018 865 HOH HOH A . Q 7 HOH 419 1019 866 HOH HOH A . Q 7 HOH 420 1020 868 HOH HOH A . Q 7 HOH 421 1021 869 HOH HOH A . Q 7 HOH 422 1022 871 HOH HOH A . Q 7 HOH 423 1023 872 HOH HOH A . Q 7 HOH 424 1024 874 HOH HOH A . Q 7 HOH 425 1025 876 HOH HOH A . Q 7 HOH 426 1026 878 HOH HOH A . Q 7 HOH 427 1027 879 HOH HOH A . Q 7 HOH 428 1028 881 HOH HOH A . Q 7 HOH 429 1029 883 HOH HOH A . Q 7 HOH 430 1030 887 HOH HOH A . Q 7 HOH 431 1031 888 HOH HOH A . Q 7 HOH 432 1032 889 HOH HOH A . Q 7 HOH 433 1033 894 HOH HOH A . Q 7 HOH 434 1034 895 HOH HOH A . Q 7 HOH 435 1035 897 HOH HOH A . Q 7 HOH 436 1036 898 HOH HOH A . Q 7 HOH 437 1037 899 HOH HOH A . Q 7 HOH 438 1038 900 HOH HOH A . Q 7 HOH 439 1039 902 HOH HOH A . Q 7 HOH 440 1040 904 HOH HOH A . Q 7 HOH 441 1041 905 HOH HOH A . Q 7 HOH 442 1042 910 HOH HOH A . Q 7 HOH 443 1043 914 HOH HOH A . Q 7 HOH 444 1044 916 HOH HOH A . Q 7 HOH 445 1045 918 HOH HOH A . Q 7 HOH 446 1046 920 HOH HOH A . Q 7 HOH 447 1047 921 HOH HOH A . Q 7 HOH 448 1048 923 HOH HOH A . Q 7 HOH 449 1049 924 HOH HOH A . Q 7 HOH 450 1050 925 HOH HOH A . Q 7 HOH 451 1051 927 HOH HOH A . Q 7 HOH 452 1052 928 HOH HOH A . Q 7 HOH 453 1053 929 HOH HOH A . Q 7 HOH 454 1054 935 HOH HOH A . Q 7 HOH 455 1055 936 HOH HOH A . Q 7 HOH 456 1056 937 HOH HOH A . Q 7 HOH 457 1057 938 HOH HOH A . Q 7 HOH 458 1058 940 HOH HOH A . R 7 HOH 1 601 1 HOH HOH B . R 7 HOH 2 602 3 HOH HOH B . R 7 HOH 3 603 5 HOH HOH B . R 7 HOH 4 604 7 HOH HOH B . R 7 HOH 5 605 8 HOH HOH B . R 7 HOH 6 606 9 HOH HOH B . R 7 HOH 7 607 11 HOH HOH B . R 7 HOH 8 608 13 HOH HOH B . R 7 HOH 9 609 16 HOH HOH B . R 7 HOH 10 610 18 HOH HOH B . R 7 HOH 11 611 20 HOH HOH B . R 7 HOH 12 612 21 HOH HOH B . R 7 HOH 13 613 23 HOH HOH B . R 7 HOH 14 614 24 HOH HOH B . R 7 HOH 15 615 27 HOH HOH B . R 7 HOH 16 616 30 HOH HOH B . R 7 HOH 17 617 32 HOH HOH B . R 7 HOH 18 618 33 HOH HOH B . R 7 HOH 19 619 34 HOH HOH B . R 7 HOH 20 620 37 HOH HOH B . R 7 HOH 21 621 40 HOH HOH B . R 7 HOH 22 622 41 HOH HOH B . R 7 HOH 23 623 42 HOH HOH B . R 7 HOH 24 624 44 HOH HOH B . R 7 HOH 25 625 45 HOH HOH B . R 7 HOH 26 626 47 HOH HOH B . R 7 HOH 27 627 49 HOH HOH B . R 7 HOH 28 628 54 HOH HOH B . R 7 HOH 29 629 57 HOH HOH B . R 7 HOH 30 630 59 HOH HOH B . R 7 HOH 31 631 60 HOH HOH B . R 7 HOH 32 632 61 HOH HOH B . R 7 HOH 33 633 63 HOH HOH B . R 7 HOH 34 634 64 HOH HOH B . R 7 HOH 35 635 68 HOH HOH B . R 7 HOH 36 636 70 HOH HOH B . R 7 HOH 37 637 71 HOH HOH B . R 7 HOH 38 638 72 HOH HOH B . R 7 HOH 39 639 74 HOH HOH B . R 7 HOH 40 640 76 HOH HOH B . R 7 HOH 41 641 78 HOH HOH B . R 7 HOH 42 642 81 HOH HOH B . R 7 HOH 43 643 82 HOH HOH B . R 7 HOH 44 644 86 HOH HOH B . R 7 HOH 45 645 90 HOH HOH B . R 7 HOH 46 646 91 HOH HOH B . R 7 HOH 47 647 93 HOH HOH B . R 7 HOH 48 648 94 HOH HOH B . R 7 HOH 49 649 95 HOH HOH B . R 7 HOH 50 650 96 HOH HOH B . R 7 HOH 51 651 99 HOH HOH B . R 7 HOH 52 652 101 HOH HOH B . R 7 HOH 53 653 104 HOH HOH B . R 7 HOH 54 654 107 HOH HOH B . R 7 HOH 55 655 112 HOH HOH B . R 7 HOH 56 656 114 HOH HOH B . R 7 HOH 57 657 119 HOH HOH B . R 7 HOH 58 658 121 HOH HOH B . R 7 HOH 59 659 122 HOH HOH B . R 7 HOH 60 660 124 HOH HOH B . R 7 HOH 61 661 125 HOH HOH B . R 7 HOH 62 662 127 HOH HOH B . R 7 HOH 63 663 129 HOH HOH B . R 7 HOH 64 664 131 HOH HOH B . R 7 HOH 65 665 135 HOH HOH B . R 7 HOH 66 666 138 HOH HOH B . R 7 HOH 67 667 139 HOH HOH B . R 7 HOH 68 668 141 HOH HOH B . R 7 HOH 69 669 144 HOH HOH B . R 7 HOH 70 670 146 HOH HOH B . R 7 HOH 71 671 150 HOH HOH B . R 7 HOH 72 672 151 HOH HOH B . R 7 HOH 73 673 152 HOH HOH B . R 7 HOH 74 674 153 HOH HOH B . R 7 HOH 75 675 154 HOH HOH B . R 7 HOH 76 676 155 HOH HOH B . R 7 HOH 77 677 156 HOH HOH B . R 7 HOH 78 678 158 HOH HOH B . R 7 HOH 79 679 159 HOH HOH B . R 7 HOH 80 680 160 HOH HOH B . R 7 HOH 81 681 161 HOH HOH B . R 7 HOH 82 682 162 HOH HOH B . R 7 HOH 83 683 163 HOH HOH B . R 7 HOH 84 684 164 HOH HOH B . R 7 HOH 85 685 165 HOH HOH B . R 7 HOH 86 686 166 HOH HOH B . R 7 HOH 87 687 167 HOH HOH B . R 7 HOH 88 688 168 HOH HOH B . R 7 HOH 89 689 174 HOH HOH B . R 7 HOH 90 690 178 HOH HOH B . R 7 HOH 91 691 179 HOH HOH B . R 7 HOH 92 692 181 HOH HOH B . R 7 HOH 93 693 187 HOH HOH B . R 7 HOH 94 694 189 HOH HOH B . R 7 HOH 95 695 190 HOH HOH B . R 7 HOH 96 696 195 HOH HOH B . R 7 HOH 97 697 196 HOH HOH B . R 7 HOH 98 698 197 HOH HOH B . R 7 HOH 99 699 198 HOH HOH B . R 7 HOH 100 700 200 HOH HOH B . R 7 HOH 101 701 202 HOH HOH B . R 7 HOH 102 702 203 HOH HOH B . R 7 HOH 103 703 204 HOH HOH B . R 7 HOH 104 704 206 HOH HOH B . R 7 HOH 105 705 208 HOH HOH B . R 7 HOH 106 706 209 HOH HOH B . R 7 HOH 107 707 211 HOH HOH B . R 7 HOH 108 708 213 HOH HOH B . R 7 HOH 109 709 214 HOH HOH B . R 7 HOH 110 710 217 HOH HOH B . R 7 HOH 111 711 218 HOH HOH B . R 7 HOH 112 712 221 HOH HOH B . R 7 HOH 113 713 223 HOH HOH B . R 7 HOH 114 714 224 HOH HOH B . R 7 HOH 115 715 226 HOH HOH B . R 7 HOH 116 716 227 HOH HOH B . R 7 HOH 117 717 230 HOH HOH B . R 7 HOH 118 718 231 HOH HOH B . R 7 HOH 119 719 234 HOH HOH B . R 7 HOH 120 720 237 HOH HOH B . R 7 HOH 121 721 238 HOH HOH B . R 7 HOH 122 722 239 HOH HOH B . R 7 HOH 123 723 240 HOH HOH B . R 7 HOH 124 724 245 HOH HOH B . R 7 HOH 125 725 246 HOH HOH B . R 7 HOH 126 726 247 HOH HOH B . R 7 HOH 127 727 248 HOH HOH B . R 7 HOH 128 728 249 HOH HOH B . R 7 HOH 129 729 250 HOH HOH B . R 7 HOH 130 730 256 HOH HOH B . R 7 HOH 131 731 257 HOH HOH B . R 7 HOH 132 732 259 HOH HOH B . R 7 HOH 133 733 266 HOH HOH B . R 7 HOH 134 734 270 HOH HOH B . R 7 HOH 135 735 272 HOH HOH B . R 7 HOH 136 736 273 HOH HOH B . R 7 HOH 137 737 274 HOH HOH B . R 7 HOH 138 738 275 HOH HOH B . R 7 HOH 139 739 276 HOH HOH B . R 7 HOH 140 740 277 HOH HOH B . R 7 HOH 141 741 278 HOH HOH B . R 7 HOH 142 742 286 HOH HOH B . R 7 HOH 143 743 287 HOH HOH B . R 7 HOH 144 744 291 HOH HOH B . R 7 HOH 145 745 296 HOH HOH B . R 7 HOH 146 746 298 HOH HOH B . R 7 HOH 147 747 300 HOH HOH B . R 7 HOH 148 748 301 HOH HOH B . R 7 HOH 149 749 307 HOH HOH B . R 7 HOH 150 750 309 HOH HOH B . R 7 HOH 151 751 310 HOH HOH B . R 7 HOH 152 752 312 HOH HOH B . R 7 HOH 153 753 314 HOH HOH B . R 7 HOH 154 754 316 HOH HOH B . R 7 HOH 155 755 317 HOH HOH B . R 7 HOH 156 756 320 HOH HOH B . R 7 HOH 157 757 321 HOH HOH B . R 7 HOH 158 758 323 HOH HOH B . R 7 HOH 159 759 325 HOH HOH B . R 7 HOH 160 760 326 HOH HOH B . R 7 HOH 161 761 328 HOH HOH B . R 7 HOH 162 762 329 HOH HOH B . R 7 HOH 163 763 331 HOH HOH B . R 7 HOH 164 764 333 HOH HOH B . R 7 HOH 165 765 335 HOH HOH B . R 7 HOH 166 766 336 HOH HOH B . R 7 HOH 167 767 339 HOH HOH B . R 7 HOH 168 768 341 HOH HOH B . R 7 HOH 169 769 342 HOH HOH B . R 7 HOH 170 770 343 HOH HOH B . R 7 HOH 171 771 348 HOH HOH B . R 7 HOH 172 772 350 HOH HOH B . R 7 HOH 173 773 351 HOH HOH B . R 7 HOH 174 774 352 HOH HOH B . R 7 HOH 175 775 353 HOH HOH B . R 7 HOH 176 776 355 HOH HOH B . R 7 HOH 177 777 357 HOH HOH B . R 7 HOH 178 778 358 HOH HOH B . R 7 HOH 179 779 360 HOH HOH B . R 7 HOH 180 780 362 HOH HOH B . R 7 HOH 181 781 363 HOH HOH B . R 7 HOH 182 782 364 HOH HOH B . R 7 HOH 183 783 365 HOH HOH B . R 7 HOH 184 784 368 HOH HOH B . R 7 HOH 185 785 372 HOH HOH B . R 7 HOH 186 786 374 HOH HOH B . R 7 HOH 187 787 375 HOH HOH B . R 7 HOH 188 788 378 HOH HOH B . R 7 HOH 189 789 380 HOH HOH B . R 7 HOH 190 790 385 HOH HOH B . R 7 HOH 191 791 386 HOH HOH B . R 7 HOH 192 792 387 HOH HOH B . R 7 HOH 193 793 389 HOH HOH B . R 7 HOH 194 794 392 HOH HOH B . R 7 HOH 195 795 396 HOH HOH B . R 7 HOH 196 796 397 HOH HOH B . R 7 HOH 197 797 399 HOH HOH B . R 7 HOH 198 798 401 HOH HOH B . R 7 HOH 199 799 402 HOH HOH B . R 7 HOH 200 800 405 HOH HOH B . R 7 HOH 201 801 406 HOH HOH B . R 7 HOH 202 802 407 HOH HOH B . R 7 HOH 203 803 408 HOH HOH B . R 7 HOH 204 804 410 HOH HOH B . R 7 HOH 205 805 411 HOH HOH B . R 7 HOH 206 806 412 HOH HOH B . R 7 HOH 207 807 415 HOH HOH B . R 7 HOH 208 808 416 HOH HOH B . R 7 HOH 209 809 418 HOH HOH B . R 7 HOH 210 810 419 HOH HOH B . R 7 HOH 211 811 420 HOH HOH B . R 7 HOH 212 812 421 HOH HOH B . R 7 HOH 213 813 422 HOH HOH B . R 7 HOH 214 814 424 HOH HOH B . R 7 HOH 215 815 427 HOH HOH B . R 7 HOH 216 816 428 HOH HOH B . R 7 HOH 217 817 430 HOH HOH B . R 7 HOH 218 818 431 HOH HOH B . R 7 HOH 219 819 432 HOH HOH B . R 7 HOH 220 820 433 HOH HOH B . R 7 HOH 221 821 435 HOH HOH B . R 7 HOH 222 822 439 HOH HOH B . R 7 HOH 223 823 442 HOH HOH B . R 7 HOH 224 824 443 HOH HOH B . R 7 HOH 225 825 444 HOH HOH B . R 7 HOH 226 826 446 HOH HOH B . R 7 HOH 227 827 451 HOH HOH B . R 7 HOH 228 828 452 HOH HOH B . R 7 HOH 229 829 455 HOH HOH B . R 7 HOH 230 830 456 HOH HOH B . R 7 HOH 231 831 458 HOH HOH B . R 7 HOH 232 832 459 HOH HOH B . R 7 HOH 233 833 464 HOH HOH B . R 7 HOH 234 834 465 HOH HOH B . R 7 HOH 235 835 467 HOH HOH B . R 7 HOH 236 836 470 HOH HOH B . R 7 HOH 237 837 471 HOH HOH B . R 7 HOH 238 838 474 HOH HOH B . R 7 HOH 239 839 478 HOH HOH B . R 7 HOH 240 840 479 HOH HOH B . R 7 HOH 241 841 482 HOH HOH B . R 7 HOH 242 842 483 HOH HOH B . R 7 HOH 243 843 486 HOH HOH B . R 7 HOH 244 844 487 HOH HOH B . R 7 HOH 245 845 488 HOH HOH B . R 7 HOH 246 846 489 HOH HOH B . R 7 HOH 247 847 491 HOH HOH B . R 7 HOH 248 848 492 HOH HOH B . R 7 HOH 249 849 494 HOH HOH B . R 7 HOH 250 850 497 HOH HOH B . R 7 HOH 251 851 499 HOH HOH B . R 7 HOH 252 852 501 HOH HOH B . R 7 HOH 253 853 502 HOH HOH B . R 7 HOH 254 854 504 HOH HOH B . R 7 HOH 255 855 506 HOH HOH B . R 7 HOH 256 856 508 HOH HOH B . R 7 HOH 257 857 510 HOH HOH B . R 7 HOH 258 858 512 HOH HOH B . R 7 HOH 259 859 514 HOH HOH B . R 7 HOH 260 860 516 HOH HOH B . R 7 HOH 261 861 520 HOH HOH B . R 7 HOH 262 862 523 HOH HOH B . R 7 HOH 263 863 524 HOH HOH B . R 7 HOH 264 864 525 HOH HOH B . R 7 HOH 265 865 526 HOH HOH B . R 7 HOH 266 866 527 HOH HOH B . R 7 HOH 267 867 530 HOH HOH B . R 7 HOH 268 868 531 HOH HOH B . R 7 HOH 269 869 533 HOH HOH B . R 7 HOH 270 870 534 HOH HOH B . R 7 HOH 271 871 535 HOH HOH B . R 7 HOH 272 872 542 HOH HOH B . R 7 HOH 273 873 546 HOH HOH B . R 7 HOH 274 874 547 HOH HOH B . R 7 HOH 275 875 548 HOH HOH B . R 7 HOH 276 876 550 HOH HOH B . R 7 HOH 277 877 552 HOH HOH B . R 7 HOH 278 878 559 HOH HOH B . R 7 HOH 279 879 564 HOH HOH B . R 7 HOH 280 880 565 HOH HOH B . R 7 HOH 281 881 566 HOH HOH B . R 7 HOH 282 882 568 HOH HOH B . R 7 HOH 283 883 569 HOH HOH B . R 7 HOH 284 884 571 HOH HOH B . R 7 HOH 285 885 575 HOH HOH B . R 7 HOH 286 886 579 HOH HOH B . R 7 HOH 287 887 580 HOH HOH B . R 7 HOH 288 888 583 HOH HOH B . R 7 HOH 289 889 585 HOH HOH B . R 7 HOH 290 890 586 HOH HOH B . R 7 HOH 291 891 587 HOH HOH B . R 7 HOH 292 892 589 HOH HOH B . R 7 HOH 293 893 590 HOH HOH B . R 7 HOH 294 894 591 HOH HOH B . R 7 HOH 295 895 592 HOH HOH B . R 7 HOH 296 896 596 HOH HOH B . R 7 HOH 297 897 598 HOH HOH B . R 7 HOH 298 898 599 HOH HOH B . R 7 HOH 299 899 600 HOH HOH B . R 7 HOH 300 900 603 HOH HOH B . R 7 HOH 301 901 604 HOH HOH B . R 7 HOH 302 902 605 HOH HOH B . R 7 HOH 303 903 606 HOH HOH B . R 7 HOH 304 904 608 HOH HOH B . R 7 HOH 305 905 612 HOH HOH B . R 7 HOH 306 906 613 HOH HOH B . R 7 HOH 307 907 614 HOH HOH B . R 7 HOH 308 908 615 HOH HOH B . R 7 HOH 309 909 617 HOH HOH B . R 7 HOH 310 910 620 HOH HOH B . R 7 HOH 311 911 621 HOH HOH B . R 7 HOH 312 912 622 HOH HOH B . R 7 HOH 313 913 623 HOH HOH B . R 7 HOH 314 914 627 HOH HOH B . R 7 HOH 315 915 629 HOH HOH B . R 7 HOH 316 916 630 HOH HOH B . R 7 HOH 317 917 631 HOH HOH B . R 7 HOH 318 918 632 HOH HOH B . R 7 HOH 319 919 634 HOH HOH B . R 7 HOH 320 920 636 HOH HOH B . R 7 HOH 321 921 638 HOH HOH B . R 7 HOH 322 922 639 HOH HOH B . R 7 HOH 323 923 645 HOH HOH B . R 7 HOH 324 924 646 HOH HOH B . R 7 HOH 325 925 648 HOH HOH B . R 7 HOH 326 926 650 HOH HOH B . R 7 HOH 327 927 653 HOH HOH B . R 7 HOH 328 928 655 HOH HOH B . R 7 HOH 329 929 656 HOH HOH B . R 7 HOH 330 930 657 HOH HOH B . R 7 HOH 331 931 658 HOH HOH B . R 7 HOH 332 932 659 HOH HOH B . R 7 HOH 333 933 662 HOH HOH B . R 7 HOH 334 934 663 HOH HOH B . R 7 HOH 335 935 665 HOH HOH B . R 7 HOH 336 936 668 HOH HOH B . R 7 HOH 337 937 669 HOH HOH B . R 7 HOH 338 938 670 HOH HOH B . R 7 HOH 339 939 673 HOH HOH B . R 7 HOH 340 940 674 HOH HOH B . R 7 HOH 341 941 675 HOH HOH B . R 7 HOH 342 942 678 HOH HOH B . R 7 HOH 343 943 679 HOH HOH B . R 7 HOH 344 944 680 HOH HOH B . R 7 HOH 345 945 681 HOH HOH B . R 7 HOH 346 946 682 HOH HOH B . R 7 HOH 347 947 686 HOH HOH B . R 7 HOH 348 948 689 HOH HOH B . R 7 HOH 349 949 690 HOH HOH B . R 7 HOH 350 950 691 HOH HOH B . R 7 HOH 351 951 692 HOH HOH B . R 7 HOH 352 952 695 HOH HOH B . R 7 HOH 353 953 696 HOH HOH B . R 7 HOH 354 954 697 HOH HOH B . R 7 HOH 355 955 700 HOH HOH B . R 7 HOH 356 956 701 HOH HOH B . R 7 HOH 357 957 705 HOH HOH B . R 7 HOH 358 958 707 HOH HOH B . R 7 HOH 359 959 708 HOH HOH B . R 7 HOH 360 960 709 HOH HOH B . R 7 HOH 361 961 714 HOH HOH B . R 7 HOH 362 962 716 HOH HOH B . R 7 HOH 363 963 718 HOH HOH B . R 7 HOH 364 964 725 HOH HOH B . R 7 HOH 365 965 726 HOH HOH B . R 7 HOH 366 966 727 HOH HOH B . R 7 HOH 367 967 728 HOH HOH B . R 7 HOH 368 968 729 HOH HOH B . R 7 HOH 369 969 730 HOH HOH B . R 7 HOH 370 970 732 HOH HOH B . R 7 HOH 371 971 733 HOH HOH B . R 7 HOH 372 972 736 HOH HOH B . R 7 HOH 373 973 739 HOH HOH B . R 7 HOH 374 974 740 HOH HOH B . R 7 HOH 375 975 741 HOH HOH B . R 7 HOH 376 976 742 HOH HOH B . R 7 HOH 377 977 743 HOH HOH B . R 7 HOH 378 978 744 HOH HOH B . R 7 HOH 379 979 745 HOH HOH B . R 7 HOH 380 980 747 HOH HOH B . R 7 HOH 381 981 748 HOH HOH B . R 7 HOH 382 982 749 HOH HOH B . R 7 HOH 383 983 750 HOH HOH B . R 7 HOH 384 984 751 HOH HOH B . R 7 HOH 385 985 753 HOH HOH B . R 7 HOH 386 986 754 HOH HOH B . R 7 HOH 387 987 755 HOH HOH B . R 7 HOH 388 988 761 HOH HOH B . R 7 HOH 389 989 762 HOH HOH B . R 7 HOH 390 990 763 HOH HOH B . R 7 HOH 391 991 768 HOH HOH B . R 7 HOH 392 992 769 HOH HOH B . R 7 HOH 393 993 772 HOH HOH B . R 7 HOH 394 994 774 HOH HOH B . R 7 HOH 395 995 779 HOH HOH B . R 7 HOH 396 996 782 HOH HOH B . R 7 HOH 397 997 783 HOH HOH B . R 7 HOH 398 998 785 HOH HOH B . R 7 HOH 399 999 788 HOH HOH B . R 7 HOH 400 1000 790 HOH HOH B . R 7 HOH 401 1001 791 HOH HOH B . R 7 HOH 402 1002 795 HOH HOH B . R 7 HOH 403 1003 797 HOH HOH B . R 7 HOH 404 1004 798 HOH HOH B . R 7 HOH 405 1005 800 HOH HOH B . R 7 HOH 406 1006 804 HOH HOH B . R 7 HOH 407 1007 808 HOH HOH B . R 7 HOH 408 1008 809 HOH HOH B . R 7 HOH 409 1009 811 HOH HOH B . R 7 HOH 410 1010 812 HOH HOH B . R 7 HOH 411 1011 813 HOH HOH B . R 7 HOH 412 1012 814 HOH HOH B . R 7 HOH 413 1013 818 HOH HOH B . R 7 HOH 414 1014 819 HOH HOH B . R 7 HOH 415 1015 820 HOH HOH B . R 7 HOH 416 1016 822 HOH HOH B . R 7 HOH 417 1017 828 HOH HOH B . R 7 HOH 418 1018 829 HOH HOH B . R 7 HOH 419 1019 830 HOH HOH B . R 7 HOH 420 1020 831 HOH HOH B . R 7 HOH 421 1021 832 HOH HOH B . R 7 HOH 422 1022 833 HOH HOH B . R 7 HOH 423 1023 834 HOH HOH B . R 7 HOH 424 1024 835 HOH HOH B . R 7 HOH 425 1025 836 HOH HOH B . R 7 HOH 426 1026 837 HOH HOH B . R 7 HOH 427 1027 838 HOH HOH B . R 7 HOH 428 1028 840 HOH HOH B . R 7 HOH 429 1029 842 HOH HOH B . R 7 HOH 430 1030 843 HOH HOH B . R 7 HOH 431 1031 844 HOH HOH B . R 7 HOH 432 1032 847 HOH HOH B . R 7 HOH 433 1033 849 HOH HOH B . R 7 HOH 434 1034 851 HOH HOH B . R 7 HOH 435 1035 852 HOH HOH B . R 7 HOH 436 1036 853 HOH HOH B . R 7 HOH 437 1037 856 HOH HOH B . R 7 HOH 438 1038 859 HOH HOH B . R 7 HOH 439 1039 862 HOH HOH B . R 7 HOH 440 1040 864 HOH HOH B . R 7 HOH 441 1041 867 HOH HOH B . R 7 HOH 442 1042 870 HOH HOH B . R 7 HOH 443 1043 873 HOH HOH B . R 7 HOH 444 1044 875 HOH HOH B . R 7 HOH 445 1045 877 HOH HOH B . R 7 HOH 446 1046 880 HOH HOH B . R 7 HOH 447 1047 882 HOH HOH B . R 7 HOH 448 1048 884 HOH HOH B . R 7 HOH 449 1049 885 HOH HOH B . R 7 HOH 450 1050 886 HOH HOH B . R 7 HOH 451 1051 890 HOH HOH B . R 7 HOH 452 1052 891 HOH HOH B . R 7 HOH 453 1053 892 HOH HOH B . R 7 HOH 454 1054 893 HOH HOH B . R 7 HOH 455 1055 896 HOH HOH B . R 7 HOH 456 1056 901 HOH HOH B . R 7 HOH 457 1057 903 HOH HOH B . R 7 HOH 458 1058 906 HOH HOH B . R 7 HOH 459 1059 907 HOH HOH B . R 7 HOH 460 1060 908 HOH HOH B . R 7 HOH 461 1061 909 HOH HOH B . R 7 HOH 462 1062 911 HOH HOH B . R 7 HOH 463 1063 912 HOH HOH B . R 7 HOH 464 1064 913 HOH HOH B . R 7 HOH 465 1065 915 HOH HOH B . R 7 HOH 466 1066 917 HOH HOH B . R 7 HOH 467 1067 919 HOH HOH B . R 7 HOH 468 1068 922 HOH HOH B . R 7 HOH 469 1069 926 HOH HOH B . R 7 HOH 470 1070 930 HOH HOH B . R 7 HOH 471 1071 931 HOH HOH B . R 7 HOH 472 1072 932 HOH HOH B . R 7 HOH 473 1073 933 HOH HOH B . R 7 HOH 474 1074 934 HOH HOH B . R 7 HOH 475 1075 939 HOH HOH B . # 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 B ASN 65 B ASN 146 ? ASN 'GLYCOSYLATION SITE' 2 A ASN 119 A ASN 200 ? ASN 'GLYCOSYLATION SITE' 3 B ASN 119 B ASN 200 ? ASN 'GLYCOSYLATION SITE' 4 A ASN 65 A ASN 146 ? ASN 'GLYCOSYLATION SITE' # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details tetrameric _pdbx_struct_assembly.oligomeric_count 4 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1,2 _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 # loop_ _pdbx_struct_assembly_prop.biol_id _pdbx_struct_assembly_prop.type _pdbx_struct_assembly_prop.value _pdbx_struct_assembly_prop.details 1 'ABSA (A^2)' 22440 ? 1 MORE -22 ? 1 'SSA (A^2)' 44440 ? # 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_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 # _pdbx_struct_special_symmetry.id 1 _pdbx_struct_special_symmetry.PDB_model_num 1 _pdbx_struct_special_symmetry.auth_asym_id A _pdbx_struct_special_symmetry.auth_comp_id HOH _pdbx_struct_special_symmetry.auth_seq_id 699 _pdbx_struct_special_symmetry.PDB_ins_code ? _pdbx_struct_special_symmetry.label_asym_id Q _pdbx_struct_special_symmetry.label_comp_id HOH _pdbx_struct_special_symmetry.label_seq_id . # 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 ? C CA . ? A CA 501 ? 1_555 OD2 ? A ASP 243 ? A ASP 324 ? 1_555 93.2 ? 2 O ? A ASP 212 ? A ASP 293 ? 1_555 CA ? C CA . ? A CA 501 ? 1_555 O ? A GLN 266 ? A GLN 347 ? 1_555 94.6 ? 3 OD2 ? A ASP 243 ? A ASP 324 ? 1_555 CA ? C CA . ? A CA 501 ? 1_555 O ? A GLN 266 ? A GLN 347 ? 1_555 100.2 ? 4 O ? A ASP 212 ? A ASP 293 ? 1_555 CA ? C CA . ? A CA 501 ? 1_555 O ? A GLY 216 ? A GLY 297 ? 1_555 81.2 ? 5 OD2 ? A ASP 243 ? A ASP 324 ? 1_555 CA ? C CA . ? A CA 501 ? 1_555 O ? A GLY 216 ? A GLY 297 ? 1_555 91.9 ? 6 O ? A GLN 266 ? A GLN 347 ? 1_555 CA ? C CA . ? A CA 501 ? 1_555 O ? A GLY 216 ? A GLY 297 ? 1_555 167.5 ? 7 O ? A ASP 212 ? A ASP 293 ? 1_555 CA ? C CA . ? A CA 501 ? 1_555 O ? A GLY 264 ? A GLY 345 ? 1_555 100.0 ? 8 OD2 ? A ASP 243 ? A ASP 324 ? 1_555 CA ? C CA . ? A CA 501 ? 1_555 O ? A GLY 264 ? A GLY 345 ? 1_555 166.5 ? 9 O ? A GLN 266 ? A GLN 347 ? 1_555 CA ? C CA . ? A CA 501 ? 1_555 O ? A GLY 264 ? A GLY 345 ? 1_555 81.7 ? 10 O ? A GLY 216 ? A GLY 297 ? 1_555 CA ? C CA . ? A CA 501 ? 1_555 O ? A GLY 264 ? A GLY 345 ? 1_555 87.4 ? 11 O ? A ASP 212 ? A ASP 293 ? 1_555 CA ? C CA . ? A CA 501 ? 1_555 O ? Q HOH . ? A HOH 607 ? 1_555 175.9 ? 12 OD2 ? A ASP 243 ? A ASP 324 ? 1_555 CA ? C CA . ? A CA 501 ? 1_555 O ? Q HOH . ? A HOH 607 ? 1_555 85.1 ? 13 O ? A GLN 266 ? A GLN 347 ? 1_555 CA ? C CA . ? A CA 501 ? 1_555 O ? Q HOH . ? A HOH 607 ? 1_555 89.4 ? 14 O ? A GLY 216 ? A GLY 297 ? 1_555 CA ? C CA . ? A CA 501 ? 1_555 O ? Q HOH . ? A HOH 607 ? 1_555 95.1 ? 15 O ? A GLY 264 ? A GLY 345 ? 1_555 CA ? C CA . ? A CA 501 ? 1_555 O ? Q HOH . ? A HOH 607 ? 1_555 81.5 ? 16 O ? B ASP 212 ? B ASP 293 ? 1_555 CA ? J CA . ? B CA 501 ? 1_555 O ? R HOH . ? B HOH 601 ? 1_555 173.5 ? 17 O ? B ASP 212 ? B ASP 293 ? 1_555 CA ? J CA . ? B CA 501 ? 1_555 O ? B GLN 266 ? B GLN 347 ? 1_555 94.7 ? 18 O ? R HOH . ? B HOH 601 ? 1_555 CA ? J CA . ? B CA 501 ? 1_555 O ? B GLN 266 ? B GLN 347 ? 1_555 91.2 ? 19 O ? B ASP 212 ? B ASP 293 ? 1_555 CA ? J CA . ? B CA 501 ? 1_555 OD2 ? B ASP 243 ? B ASP 324 ? 1_555 91.3 ? 20 O ? R HOH . ? B HOH 601 ? 1_555 CA ? J CA . ? B CA 501 ? 1_555 OD2 ? B ASP 243 ? B ASP 324 ? 1_555 84.6 ? 21 O ? B GLN 266 ? B GLN 347 ? 1_555 CA ? J CA . ? B CA 501 ? 1_555 OD2 ? B ASP 243 ? B ASP 324 ? 1_555 103.6 ? 22 O ? B ASP 212 ? B ASP 293 ? 1_555 CA ? J CA . ? B CA 501 ? 1_555 O ? B GLY 264 ? B GLY 345 ? 1_555 100.0 ? 23 O ? R HOH . ? B HOH 601 ? 1_555 CA ? J CA . ? B CA 501 ? 1_555 O ? B GLY 264 ? B GLY 345 ? 1_555 83.4 ? 24 O ? B GLN 266 ? B GLN 347 ? 1_555 CA ? J CA . ? B CA 501 ? 1_555 O ? B GLY 264 ? B GLY 345 ? 1_555 83.0 ? 25 OD2 ? B ASP 243 ? B ASP 324 ? 1_555 CA ? J CA . ? B CA 501 ? 1_555 O ? B GLY 264 ? B GLY 345 ? 1_555 166.4 ? 26 O ? B ASP 212 ? B ASP 293 ? 1_555 CA ? J CA . ? B CA 501 ? 1_555 O ? B GLY 216 ? B GLY 297 ? 1_555 80.8 ? 27 O ? R HOH . ? B HOH 601 ? 1_555 CA ? J CA . ? B CA 501 ? 1_555 O ? B GLY 216 ? B GLY 297 ? 1_555 94.1 ? 28 O ? B GLN 266 ? B GLN 347 ? 1_555 CA ? J CA . ? B CA 501 ? 1_555 O ? B GLY 216 ? B GLY 297 ? 1_555 166.3 ? 29 OD2 ? B ASP 243 ? B ASP 324 ? 1_555 CA ? J CA . ? B CA 501 ? 1_555 O ? B GLY 216 ? B GLY 297 ? 1_555 89.5 ? 30 O ? B GLY 264 ? B GLY 345 ? 1_555 CA ? J CA . ? B CA 501 ? 1_555 O ? B GLY 216 ? B GLY 297 ? 1_555 85.1 ? # _pdbx_audit_revision_history.ordinal 1 _pdbx_audit_revision_history.data_content_type 'Structure model' _pdbx_audit_revision_history.major_revision 1 _pdbx_audit_revision_history.minor_revision 0 _pdbx_audit_revision_history.revision_date 2013-06-05 # _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_refine_tls.pdbx_refine_id _pdbx_refine_tls.id _pdbx_refine_tls.details _pdbx_refine_tls.method _pdbx_refine_tls.origin_x _pdbx_refine_tls.origin_y _pdbx_refine_tls.origin_z _pdbx_refine_tls.T[1][1] _pdbx_refine_tls.T[2][2] _pdbx_refine_tls.T[3][3] _pdbx_refine_tls.T[1][2] _pdbx_refine_tls.T[1][3] _pdbx_refine_tls.T[2][3] _pdbx_refine_tls.L[1][1] _pdbx_refine_tls.L[2][2] _pdbx_refine_tls.L[3][3] _pdbx_refine_tls.L[1][2] _pdbx_refine_tls.L[1][3] _pdbx_refine_tls.L[2][3] _pdbx_refine_tls.S[1][1] _pdbx_refine_tls.S[1][2] _pdbx_refine_tls.S[1][3] _pdbx_refine_tls.S[2][1] _pdbx_refine_tls.S[2][2] _pdbx_refine_tls.S[2][3] _pdbx_refine_tls.S[3][1] _pdbx_refine_tls.S[3][2] _pdbx_refine_tls.S[3][3] 'X-RAY DIFFRACTION' 1 ? refined -19.5512 22.3649 -16.1501 0.0208 0.0378 0.0458 0.0053 -0.0046 0.0042 0.0421 0.4214 0.3318 -0.0212 0.0292 0.0609 -0.0173 0.0044 -0.0051 -0.0336 0.0046 0.0037 -0.0714 -0.0284 0.0127 'X-RAY DIFFRACTION' 2 ? refined -19.5667 -16.0910 -22.3653 0.0212 0.0400 0.0474 -0.0152 0.0051 -0.0061 0.0563 0.3196 0.4019 0.0783 0.0075 -0.0224 -0.0246 0.0011 -0.0015 -0.0549 0.0254 0.0030 0.0498 -0.0323 -0.0008 # loop_ _pdbx_refine_tls_group.pdbx_refine_id _pdbx_refine_tls_group.id _pdbx_refine_tls_group.refine_tls_id _pdbx_refine_tls_group.beg_auth_asym_id _pdbx_refine_tls_group.beg_auth_seq_id _pdbx_refine_tls_group.end_auth_asym_id _pdbx_refine_tls_group.end_auth_seq_id _pdbx_refine_tls_group.selection_details _pdbx_refine_tls_group.beg_label_asym_id _pdbx_refine_tls_group.beg_label_seq_id _pdbx_refine_tls_group.end_label_asym_id _pdbx_refine_tls_group.end_label_seq_id _pdbx_refine_tls_group.selection 'X-RAY DIFFRACTION' 1 1 A 82 A 469 ? . . . . ? 'X-RAY DIFFRACTION' 2 1 A 501 A 507 ? . . . . ? 'X-RAY DIFFRACTION' 3 2 B 82 B 469 ? . . . . ? 'X-RAY DIFFRACTION' 4 2 B 501 B 507 ? . . . . ? # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal PHENIX refinement '(phenix.refine: 1.7.3_928)' ? 1 REFMAC refinement 5.7.0029 ? 2 # 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 SER A 88 ? ? -91.39 54.83 2 1 ASN A 142 ? ? -174.26 130.92 3 1 ASN A 200 ? ? -160.94 58.48 4 1 ASN A 221 ? ? -155.53 72.29 5 1 ILE A 222 ? ? 61.36 69.25 6 1 THR A 225 ? ? -140.93 -158.39 7 1 CYS A 291 ? ? -125.08 -161.86 8 1 SER A 315 ? ? -164.16 -158.43 9 1 CYS A 337 ? ? 76.64 -11.24 10 1 GLN A 347 ? ? 64.65 -172.87 11 1 SER A 404 ? ? -114.64 -131.23 12 1 SER B 88 ? ? -91.10 53.48 13 1 ASN B 142 ? ? -173.71 132.00 14 1 ASN B 200 ? ? -161.49 58.40 15 1 ASN B 221 ? ? -151.97 73.34 16 1 ILE B 222 ? ? 60.04 70.16 17 1 THR B 225 ? ? -138.09 -158.15 18 1 CYS B 291 ? ? -125.07 -161.45 19 1 SER B 315 ? ? -166.05 -159.97 20 1 CYS B 337 ? ? 75.13 -11.33 21 1 GLN B 347 ? ? 67.03 -171.59 22 1 SER B 404 ? ? -113.78 -133.82 # loop_ _pdbx_validate_chiral.id _pdbx_validate_chiral.PDB_model_num _pdbx_validate_chiral.auth_atom_id _pdbx_validate_chiral.label_alt_id _pdbx_validate_chiral.auth_asym_id _pdbx_validate_chiral.auth_comp_id _pdbx_validate_chiral.auth_seq_id _pdbx_validate_chiral.PDB_ins_code _pdbx_validate_chiral.details _pdbx_validate_chiral.omega 1 1 C1 ? A MAN 506 ? PLANAR . 2 1 C1 ? B MAN 506 ? PLANAR . # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 'CALCIUM ION' CA 3 N-ACETYL-D-GLUCOSAMINE NAG 4 BETA-D-MANNOSE BMA 5 ALPHA-D-MANNOSE MAN 6 '(3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid' G39 7 water HOH #